smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001338902044 936338564 /nfs/dbraw/zinc/33/85/64/936338564.db2.gz JPKDQKXPLMRSAB-DOTOQJQBSA-N 0 3 286.419 3.122 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@H](C)CC ZINC001329293921 935201983 /nfs/dbraw/zinc/20/19/83/935201983.db2.gz YXDHMXQFTPGMSQ-GFCCVEGCSA-N 0 3 288.863 3.249 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001341609380 936444424 /nfs/dbraw/zinc/44/44/24/936444424.db2.gz JLZHBDAAYYHLFQ-BHYGNILZSA-N 0 3 286.419 3.280 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc2ccccc2c(OC)c1 ZINC001342786198 936479361 /nfs/dbraw/zinc/47/93/61/936479361.db2.gz FSHCQJTVOACNKA-MRXNPFEDSA-N 0 3 298.386 3.471 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cc(C)cc(C)c1 ZINC001344865127 936547253 /nfs/dbraw/zinc/54/72/53/936547253.db2.gz ZWPLRSBAPVSCDL-MRXNPFEDSA-N 0 3 295.386 3.329 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CCCCCCC1 ZINC001344875305 936547765 /nfs/dbraw/zinc/54/77/65/936547765.db2.gz RBBGTLJXKQWXBD-AWEZNQCLSA-N 0 3 273.380 3.440 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001345646660 936819721 /nfs/dbraw/zinc/81/97/21/936819721.db2.gz MFMWZHYYZZHINL-WFASDCNBSA-N 0 3 299.349 3.412 20 30 CGEDHN C=CCC[C@@H]1CCCN1C(=O)C[C@@H](N)c1ccccc1 ZINC001345876017 936827980 /nfs/dbraw/zinc/82/79/80/936827980.db2.gz SGZNIJZOUFXCJT-HZPDHXFCSA-N 0 3 272.392 3.034 20 30 CGEDHN CC1(C)C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC001346537475 936851906 /nfs/dbraw/zinc/85/19/06/936851906.db2.gz LYGLFXOVGOXOGN-RYUDHWBXSA-N 0 3 298.342 3.209 20 30 CGEDHN C=C(C)CCC(=O)N(CCC)[C@H]1CCN(CC(=C)C)C1 ZINC001481399408 926977869 /nfs/dbraw/zinc/97/78/69/926977869.db2.gz JLPQBAYMRBJBRY-INIZCTEOSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001481703636 927063737 /nfs/dbraw/zinc/06/37/37/927063737.db2.gz BYAIBUCMLDKCMK-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1cccc(-c2ccoc2)c1 ZINC001482640359 927332868 /nfs/dbraw/zinc/33/28/68/927332868.db2.gz JBIPINRLGXYFOX-UHFFFAOYSA-N 0 3 298.386 3.136 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1ccccc1Cl ZINC001483255058 927465451 /nfs/dbraw/zinc/46/54/51/927465451.db2.gz MBOFLBTYGUNPND-LBPRGKRZSA-N 0 3 294.826 3.147 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](NC/C=C\Cl)C(C)(C)C1 ZINC001507445075 927507458 /nfs/dbraw/zinc/50/74/58/927507458.db2.gz VASWOICXJMDNRZ-WSROAFLRSA-N 0 3 298.858 3.168 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H](C)c1cccnc1 ZINC001357375909 937170965 /nfs/dbraw/zinc/17/09/65/937170965.db2.gz MBRQPHALYJYLGW-GOEBONIOSA-N 0 3 291.439 3.337 20 30 CGEDHN N#CC(C(=O)C=Cc1cccs1)c1cccc(F)n1 ZINC001357580064 937174466 /nfs/dbraw/zinc/17/44/66/937174466.db2.gz IBXCQWRQZVNZEW-XUIVZRPNSA-N 0 3 272.304 3.172 20 30 CGEDHN C=CC(C)(C)C(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001483758982 927608962 /nfs/dbraw/zinc/60/89/62/927608962.db2.gz SSKKNJUGGJTAPI-UHFFFAOYSA-N 0 3 292.448 3.007 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)CC(C)C ZINC001485071924 927803409 /nfs/dbraw/zinc/80/34/09/927803409.db2.gz ABHHAFSKEPGTIJ-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C#Cc1ccc(CNCc2cc(F)ccc2C)cc1 ZINC001474153157 937203256 /nfs/dbraw/zinc/20/32/56/937203256.db2.gz WXHPVMFFSNMGLM-UHFFFAOYSA-N 0 3 253.320 3.405 20 30 CGEDHN CC1(C)CCC[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001527021107 927953509 /nfs/dbraw/zinc/95/35/09/927953509.db2.gz YJDSYPQCTGMOKO-WDEREUQCSA-N 0 3 278.302 3.362 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001488662750 928291318 /nfs/dbraw/zinc/29/13/18/928291318.db2.gz LKVXAJWRJNMOMI-IXDOHACOSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC001490289447 928339768 /nfs/dbraw/zinc/33/97/68/928339768.db2.gz QKHDSRUSMNSODX-HIFRSBDPSA-N 0 3 298.858 3.288 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H](C)C2CC2)CC1 ZINC001490623296 928379872 /nfs/dbraw/zinc/37/98/72/928379872.db2.gz KPNAGHRAWFGFAZ-HNNXBMFYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC[C@@H](C)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC001307712943 928514090 /nfs/dbraw/zinc/51/40/90/928514090.db2.gz MDKCOIFYFCJXTH-GFCCVEGCSA-N 0 3 299.340 3.187 20 30 CGEDHN C=C(CC)CN1CCN(c2ccc(C)cc2C)CC1 ZINC001460489096 928745521 /nfs/dbraw/zinc/74/55/21/928745521.db2.gz UHHWAPUIDFGGKX-UHFFFAOYSA-N 0 3 258.409 3.392 20 30 CGEDHN C=CC[C@H](C)N1CCO[C@]2(CCc3ccccc32)C1 ZINC001459768242 937499572 /nfs/dbraw/zinc/49/95/72/937499572.db2.gz GARVVGJSFMMOLR-WMLDXEAASA-N 0 3 257.377 3.125 20 30 CGEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1Cc2ccccc2O1 ZINC001139531604 931953958 /nfs/dbraw/zinc/95/39/58/931953958.db2.gz JZIACGUAPUWTBK-INIZCTEOSA-N 0 3 296.345 3.133 20 30 CGEDHN C=CCC(C)(C)CNCc1c(Cl)ncn1CC ZINC001461530828 937585051 /nfs/dbraw/zinc/58/50/51/937585051.db2.gz JBYRSMZHSNSCJM-UHFFFAOYSA-N 0 3 255.793 3.248 20 30 CGEDHN CCCn1cncc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC001461586908 937586952 /nfs/dbraw/zinc/58/69/52/937586952.db2.gz SFYNRQQEIQAPFX-SFHVURJKSA-N 0 3 294.402 3.332 20 30 CGEDHN C#CC1(NCc2cccc(OC(F)F)c2)CCCC1 ZINC001461712425 937593668 /nfs/dbraw/zinc/59/36/68/937593668.db2.gz HKKXKUYVKHLPNL-UHFFFAOYSA-N 0 3 265.303 3.324 20 30 CGEDHN C[C@@H](C#C[Si](C)(C)C)Oc1ccccc1CN(C)C ZINC001229702512 932471581 /nfs/dbraw/zinc/47/15/81/932471581.db2.gz SPAVDDGZHZHLEN-AWEZNQCLSA-N 0 3 275.468 3.396 20 30 CGEDHN Cc1cc(CN(CCO)[C@H](C)c2ccccc2)ccc1C#N ZINC001461948971 937608158 /nfs/dbraw/zinc/60/81/58/937608158.db2.gz KKCDHMCVGUSYKC-MRXNPFEDSA-N 0 3 294.398 3.422 20 30 CGEDHN CNc1ccc(C)cc1CN1CCC(C)(C#N)CC1 ZINC001461992477 937609972 /nfs/dbraw/zinc/60/99/72/937609972.db2.gz MNNZRGCEYXVHDM-UHFFFAOYSA-N 0 3 257.381 3.162 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C ZINC001230651781 932603724 /nfs/dbraw/zinc/60/37/24/932603724.db2.gz QYOFWOJFHZIEJZ-MRXNPFEDSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CC1(CC(=O)NC[C@@H](C)NC/C=C/Cl)CCCCC1 ZINC001317279491 932824769 /nfs/dbraw/zinc/82/47/69/932824769.db2.gz YHUUJENRKYTDAK-DNGMOHDESA-N 0 3 298.858 3.360 20 30 CGEDHN C#CCN(CCOCC1CCC1)[C@H]1CCc2ccccc21 ZINC001307430858 932951673 /nfs/dbraw/zinc/95/16/73/932951673.db2.gz NZXCSCHLRWJAGI-IBGZPJMESA-N 0 3 283.415 3.426 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2cc(C#N)ccn2)C12CCC2 ZINC001307932930 933022803 /nfs/dbraw/zinc/02/28/03/933022803.db2.gz GEWDDJCYKYSJTM-CVEARBPZSA-N 0 3 299.418 3.169 20 30 CGEDHN C=C(C)CCN1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC001307958906 933027565 /nfs/dbraw/zinc/02/75/65/933027565.db2.gz VFOZGSYJBZOXPZ-OAHLLOKOSA-N 0 3 253.386 3.149 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ncccn2)CC1 ZINC001308089639 933045971 /nfs/dbraw/zinc/04/59/71/933045971.db2.gz AZJFTLXFUCAITG-AWEZNQCLSA-N 0 3 292.386 3.289 20 30 CGEDHN C#CCC1([NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC001462603297 937653023 /nfs/dbraw/zinc/65/30/23/937653023.db2.gz HSUIFWBSMZTQJO-UHFFFAOYSA-N 0 3 261.340 3.347 20 30 CGEDHN C#CCN(Cc1cnc2c(F)cccc2c1)CC1CC1 ZINC001308604382 933141778 /nfs/dbraw/zinc/14/17/78/933141778.db2.gz XOCFGUZAYPSPDH-UHFFFAOYSA-N 0 3 268.335 3.219 20 30 CGEDHN CCCCO[C@@H]1C[C@H](NCC(C)(C)C#N)C1(C)C ZINC001308673839 933154940 /nfs/dbraw/zinc/15/49/40/933154940.db2.gz ZOWNVXIMFYRLJR-QWHCGFSZSA-N 0 3 252.402 3.110 20 30 CGEDHN C#C[C@@H](N[C@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC001308794682 933177782 /nfs/dbraw/zinc/17/77/82/933177782.db2.gz BHFFNUBHXBMMER-JKSUJKDBSA-N 0 3 276.811 3.088 20 30 CGEDHN Cc1cc(CN2CC(c3ccccc3)C2)ccc1C#N ZINC001308896443 933198610 /nfs/dbraw/zinc/19/86/10/933198610.db2.gz NRMVHQMISOIFTL-UHFFFAOYSA-N 0 3 262.356 3.466 20 30 CGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCF ZINC001317051066 933521868 /nfs/dbraw/zinc/52/18/68/933521868.db2.gz PIEHHJGWLKAFJG-IYBDPMFKSA-N 0 3 298.446 3.382 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001317415365 933589240 /nfs/dbraw/zinc/58/92/40/933589240.db2.gz KLNKRZGCMFZIBF-GOEBONIOSA-N 0 3 298.858 3.360 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C2CC2)cc1 ZINC001317546101 933615252 /nfs/dbraw/zinc/61/52/52/933615252.db2.gz MVZRIJFSKDIUQE-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001467727946 937721631 /nfs/dbraw/zinc/72/16/31/937721631.db2.gz XNONNVDYUGLUGI-CVEARBPZSA-N 0 3 292.467 3.191 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc(C)c1)C(C)C ZINC001319894504 933952475 /nfs/dbraw/zinc/95/24/75/933952475.db2.gz FOIMNKVNPZJMDC-OAHLLOKOSA-N 0 3 294.826 3.092 20 30 CGEDHN C=C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319951115 933965456 /nfs/dbraw/zinc/96/54/56/933965456.db2.gz YQVYNHIKALTELN-UHFFFAOYSA-N 0 3 256.393 3.439 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cccc(OC(C)C)c2)C1 ZINC001320037459 933986581 /nfs/dbraw/zinc/98/65/81/933986581.db2.gz FHXCRVOXZICAAC-QGZVFWFLSA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001323357637 934388554 /nfs/dbraw/zinc/38/85/54/934388554.db2.gz OJAATTJXRCLZRI-ZWKOTPCHSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001323372054 934392136 /nfs/dbraw/zinc/39/21/36/934392136.db2.gz PTBSYBNUSIWCNP-CQSZACIVSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC001472560845 937777535 /nfs/dbraw/zinc/77/75/35/937777535.db2.gz JBFXPJCESGHAMF-KBPBESRZSA-N 0 3 278.396 3.181 20 30 CGEDHN C[C@H]1CN(CC2(CC#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283665 937800470 /nfs/dbraw/zinc/80/04/70/937800470.db2.gz SKDXDOCUMLLRNS-IRXDYDNUSA-N 0 3 297.446 3.275 20 30 CGEDHN C=CCO[C@@H]1CCN(CCOc2ccc(Cl)c(F)c2)C1 ZINC001473304370 937801494 /nfs/dbraw/zinc/80/14/94/937801494.db2.gz NMXAZMAZYHXHEH-CYBMUJFWSA-N 0 3 299.773 3.135 20 30 CGEDHN CC#CCN1[C@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001473595173 937812955 /nfs/dbraw/zinc/81/29/55/937812955.db2.gz RGACILYUAYQHQW-ZNMIVQPWSA-N 0 3 294.439 3.023 20 30 CGEDHN C=CCO[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001328109035 935117764 /nfs/dbraw/zinc/11/77/64/935117764.db2.gz WQRDKKHSXDZQCJ-DUMMIQTOSA-N 0 3 286.419 3.043 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(CCC)CCC1 ZINC001328388620 935133819 /nfs/dbraw/zinc/13/38/19/935133819.db2.gz PKZUEUKYBRIULC-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1sccc1C(C)C ZINC001329622034 935234239 /nfs/dbraw/zinc/23/42/39/935234239.db2.gz BONPIPNQYRMHQO-GFCCVEGCSA-N 0 3 280.437 3.108 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001330594816 935300096 /nfs/dbraw/zinc/30/00/96/935300096.db2.gz NQJRDNHOKNUDLH-MQMHXKEQSA-N 0 3 298.858 3.050 20 30 CGEDHN CC(C)(C)c1ccc(NNC=CC(F)(F)F)nn1 ZINC001331541124 935390594 /nfs/dbraw/zinc/39/05/94/935390594.db2.gz KUVXRSZQNOQBGM-UHFFFAOYSA-N 0 3 260.263 3.124 20 30 CGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C(C)(C)CCCCC ZINC001331644999 935400695 /nfs/dbraw/zinc/40/06/95/935400695.db2.gz TVXOJUAWSLGHRZ-HNNXBMFYSA-N 0 3 280.456 3.053 20 30 CGEDHN N#CC1(c2ccccc2)CC(NC2([C@H]3CCCCO3)CC2)C1 ZINC001332912173 935496946 /nfs/dbraw/zinc/49/69/46/935496946.db2.gz CEYSLBAQMNGLOW-LXPRWKDFSA-N 0 3 296.414 3.302 20 30 CGEDHN CC[C@@H](CNc1cc(C(C)=O)ccc1C#N)N1CCCC1 ZINC001336478911 936195562 /nfs/dbraw/zinc/19/55/62/936195562.db2.gz LQPBQRWZCGRBFJ-INIZCTEOSA-N 0 3 285.391 3.047 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC001338111487 936305991 /nfs/dbraw/zinc/30/59/91/936305991.db2.gz CIYXFBNNWUPLJK-UKRRQHHQSA-N 0 3 263.381 3.325 20 30 CGEDHN C#C[C@@H]1CCCCN1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001473867998 937826087 /nfs/dbraw/zinc/82/60/87/937826087.db2.gz DJPAELRFGVPSHM-CABCVRRESA-N 0 3 297.320 3.227 20 30 CGEDHN C=C(C)[C@H](CO)N1CCc2cc(C(C)C)ccc2C1 ZINC001473904017 937829077 /nfs/dbraw/zinc/82/90/77/937829077.db2.gz KDNCINROEAQLHX-KRWDZBQOSA-N 0 3 259.393 3.105 20 30 CGEDHN C=CCNC(=O)CNCc1ccccc1-c1ccccc1C ZINC001474087056 937839744 /nfs/dbraw/zinc/83/97/44/937839744.db2.gz NBQJXWQBRGATJT-UHFFFAOYSA-N 0 3 294.398 3.054 20 30 CGEDHN C#C[C@@H](NC[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC001474557925 937866760 /nfs/dbraw/zinc/86/67/60/937866760.db2.gz VENCOPLMDGXDTJ-IAOVAPTHSA-N 0 3 299.805 3.141 20 30 CGEDHN C=CCCCN(CC)Cc1c(OC)cccc1OC ZINC001474739545 937877980 /nfs/dbraw/zinc/87/79/80/937877980.db2.gz YTKIVWLQBXXSRA-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN CC#CCN(C)Cc1cccc2c(OC)cccc12 ZINC001474734114 937878013 /nfs/dbraw/zinc/87/80/13/937878013.db2.gz HJBNCTMRFIATCX-UHFFFAOYSA-N 0 3 253.345 3.304 20 30 CGEDHN CN(Cc1ccc(C#N)cc1F)C[C@]12CCC[C@H]1OCC2 ZINC001474755367 937879377 /nfs/dbraw/zinc/87/93/77/937879377.db2.gz PLWUZOXKMCEMMI-IAGOWNOFSA-N 0 3 288.366 3.088 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001479914961 937928720 /nfs/dbraw/zinc/92/87/20/937928720.db2.gz BJGPFTBBRDNUKN-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@H](CN(C)C[C@@H](F)CC)C1 ZINC001480085414 937932148 /nfs/dbraw/zinc/93/21/48/937932148.db2.gz RBJCDYRULUHGKU-CVEARBPZSA-N 0 3 298.446 3.261 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001493939642 937952203 /nfs/dbraw/zinc/95/22/03/937952203.db2.gz UOLYDQYNATUVDL-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC(C)=C(C)C)C1 ZINC001493963433 937952592 /nfs/dbraw/zinc/95/25/92/937952592.db2.gz XCEPZWJFGJRYMG-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001493958655 937952600 /nfs/dbraw/zinc/95/26/00/937952600.db2.gz BBRBXMNBNOWZHD-IXDOHACOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)CC2(C)CCCCC2)C1 ZINC001494837045 937956497 /nfs/dbraw/zinc/95/64/97/937956497.db2.gz QLNNYSJEFFSSIG-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001494850934 937956500 /nfs/dbraw/zinc/95/65/00/937956500.db2.gz NMYRORKMHYJZRV-HOTGVXAUSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001496726566 937964038 /nfs/dbraw/zinc/96/40/38/937964038.db2.gz OWGAMIQEWLDRHH-INIZCTEOSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCC(C)(C)C(=O)NC/C=C/CNCc1ccsc1 ZINC001497687729 937966514 /nfs/dbraw/zinc/96/65/14/937966514.db2.gz ZURMJVVRBIUJSP-AATRIKPKSA-N 0 3 292.448 3.112 20 30 CGEDHN C=CCCC(=O)N[C@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001497795205 937966963 /nfs/dbraw/zinc/96/69/63/937966963.db2.gz YGIILJRGNXVZQI-LLVKDONJSA-N 0 3 298.789 3.040 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(C)cc1 ZINC001498370074 937969110 /nfs/dbraw/zinc/96/91/10/937969110.db2.gz UNRLQVVIYPELCN-MRXNPFEDSA-N 0 3 288.435 3.288 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001500547503 937978089 /nfs/dbraw/zinc/97/80/89/937978089.db2.gz WUDJTCDWJMXKGM-QAPCUYQASA-N 0 3 292.467 3.217 20 30 CGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)/C(C)=C/CC ZINC001501660926 937980087 /nfs/dbraw/zinc/98/00/87/937980087.db2.gz FOGHBLGGTZSYHH-MHWRWJLKSA-N 0 3 298.430 3.114 20 30 CGEDHN C=C(C)CCC(=O)N1CC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001501737740 937980421 /nfs/dbraw/zinc/98/04/21/937980421.db2.gz YLJJDRSWEXHYDQ-HNNXBMFYSA-N 0 3 296.430 3.015 20 30 CGEDHN CC#CCCCC(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001505441793 937985606 /nfs/dbraw/zinc/98/56/06/937985606.db2.gz KQGWYNYWKKIWGT-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(CCC)CCC2)C1 ZINC001508124531 937998342 /nfs/dbraw/zinc/99/83/42/937998342.db2.gz GZHZBFCYEXQLKS-UHFFFAOYSA-N 0 3 298.858 3.288 20 30 CGEDHN C=C(CC)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001520158526 938023607 /nfs/dbraw/zinc/02/36/07/938023607.db2.gz LSTDQVUAZHZTQX-AWEZNQCLSA-N 0 3 280.799 3.025 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCC1(C)C ZINC001526588128 938056517 /nfs/dbraw/zinc/05/65/17/938056517.db2.gz WOYCWCXFOVHQJP-UWVGGRQHSA-N 0 3 279.771 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC1CCCCC1 ZINC001526595228 938056544 /nfs/dbraw/zinc/05/65/44/938056544.db2.gz WJHCZFXYNGDXBT-ZDUSSCGKSA-N 0 3 259.353 3.050 20 30 CGEDHN C#CCN(C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC001559808111 938236258 /nfs/dbraw/zinc/23/62/58/938236258.db2.gz BVIDENVLLDMAEK-UHFFFAOYSA-N 0 3 292.382 3.247 20 30 CGEDHN C#CCC1(NCC(=O)Nc2ccc(C)c(Cl)c2)CCC1 ZINC001560165262 938245893 /nfs/dbraw/zinc/24/58/93/938245893.db2.gz GTSQRKBVFVPIRT-UHFFFAOYSA-N 0 3 290.794 3.123 20 30 CGEDHN C=CCOc1cccc(CNCc2ccccc2CO)c1 ZINC001560291050 938251327 /nfs/dbraw/zinc/25/13/27/938251327.db2.gz ZWQHKBYSRSHUTC-UHFFFAOYSA-N 0 3 283.371 3.034 20 30 CGEDHN C#CCC1(NCc2ccc(OC(F)F)cc2F)CCC1 ZINC001560598594 938264905 /nfs/dbraw/zinc/26/49/05/938264905.db2.gz GONZPZQYSOPMKV-UHFFFAOYSA-N 0 3 283.293 3.463 20 30 CGEDHN C#CCC[C@@H](O)CN[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC001560991105 938288589 /nfs/dbraw/zinc/28/85/89/938288589.db2.gz CJIRDEQXGZBAQW-CRAIPNDOSA-N 0 3 294.398 3.174 20 30 CGEDHN C#CCC1(NCc2cc3ccccc3nc2OC)CCC1 ZINC001561018458 938289644 /nfs/dbraw/zinc/28/96/44/938289644.db2.gz YQFIGWWIQAYGPP-UHFFFAOYSA-N 0 3 280.371 3.279 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCCC[C@@H]1C)C(C)C ZINC001571614368 960470057 /nfs/dbraw/zinc/47/00/57/960470057.db2.gz FPODDWGZVYICDD-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCCC ZINC001566954780 961071227 /nfs/dbraw/zinc/07/12/27/961071227.db2.gz CVVJXCGFUZSWAM-IAGOWNOFSA-N 0 3 290.451 3.045 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCC1CCCC1 ZINC001567206772 961141424 /nfs/dbraw/zinc/14/14/24/961141424.db2.gz XMIAXRIZYTVUPX-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCCC2(CC2)C1)C1CC1 ZINC001567442919 961333939 /nfs/dbraw/zinc/33/39/39/961333939.db2.gz OMERUQRCABVWPN-OAHLLOKOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CC(C)(C)C)C1 ZINC001567680076 961388755 /nfs/dbraw/zinc/38/87/55/961388755.db2.gz YQYUSLOSEWRALT-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)/C=C(/C)CC)C1 ZINC001567683736 961394327 /nfs/dbraw/zinc/39/43/27/961394327.db2.gz ZNQNHLWYRUASEE-QZFKAFNDSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCCC(=O)N1CCCC[C@H]1CCNCC(=C)Cl ZINC001568378794 961565957 /nfs/dbraw/zinc/56/59/57/961565957.db2.gz KUFYZUIQXPJPTR-AWEZNQCLSA-N 0 3 284.831 3.066 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)CN[C@H](C)c1ccccc1F ZINC001569060863 961678812 /nfs/dbraw/zinc/67/88/12/961678812.db2.gz WBJCXBZNWZRLCW-UONOGXRCSA-N 0 3 292.398 3.337 20 30 CGEDHN C#CCN1CCC(C)(CNC(=O)CCCCC(C)C)CC1 ZINC001569706826 961824778 /nfs/dbraw/zinc/82/47/78/961824778.db2.gz ZJOFACDARIMRBD-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001570185533 961920438 /nfs/dbraw/zinc/92/04/38/961920438.db2.gz NCUBHSNQQLFAQZ-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001570824865 962090055 /nfs/dbraw/zinc/09/00/55/962090055.db2.gz HHWSUNUOMOFAMZ-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCCC(C)C)C1 ZINC001571162852 962119764 /nfs/dbraw/zinc/11/97/64/962119764.db2.gz HMWCZOUATNVZAD-HDJSIYSDSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC001574902795 962335016 /nfs/dbraw/zinc/33/50/16/962335016.db2.gz GXWQHELDZQKQGS-CVEARBPZSA-N 0 3 278.440 3.241 20 30 CGEDHN C=CCCCCCN1CCOc2cc(N)ccc2C1 ZINC001574907713 962336528 /nfs/dbraw/zinc/33/65/28/962336528.db2.gz YSNMUNXNUTZOTJ-UHFFFAOYSA-N 0 3 260.381 3.210 20 30 CGEDHN C[C@H](OC(=O)c1ccc2c(c1)CNC2)c1cccc(C#N)c1 ZINC001579484722 962627483 /nfs/dbraw/zinc/62/74/83/962627483.db2.gz HVMJVYQDVNRDLW-LBPRGKRZSA-N 0 3 292.338 3.079 20 30 CGEDHN C=CCC1(NC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001584635966 962945189 /nfs/dbraw/zinc/94/51/89/962945189.db2.gz RBJIEEREXGPBMF-HNNXBMFYSA-N 0 3 278.440 3.256 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588594917 963284888 /nfs/dbraw/zinc/28/48/88/963284888.db2.gz VSYQLGUHCYJWCN-WBMJQRKESA-N 0 3 297.406 3.188 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588594917 963284903 /nfs/dbraw/zinc/28/49/03/963284903.db2.gz VSYQLGUHCYJWCN-WBMJQRKESA-N 0 3 297.406 3.188 20 30 CGEDHN C=CC[C@@H](C)[NH+]1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588539336 963286662 /nfs/dbraw/zinc/28/66/62/963286662.db2.gz HKQXCZRJPFZCFH-CYBMUJFWSA-N 0 3 297.406 3.011 20 30 CGEDHN C=CC[C@@H](C)[NH+]1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588539336 963286676 /nfs/dbraw/zinc/28/66/76/963286676.db2.gz HKQXCZRJPFZCFH-CYBMUJFWSA-N 0 3 297.406 3.011 20 30 CGEDHN C=C(CC)CN[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621763154 349582067 /nfs/dbraw/zinc/58/20/67/349582067.db2.gz RVAXVDCEKBKANZ-OAHLLOKOSA-N 0 3 258.365 3.040 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590601898 346853838 /nfs/dbraw/zinc/85/38/38/346853838.db2.gz SOUATPXGUWFQAY-QGZVFWFLSA-N 0 3 277.371 3.333 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@@H](c1ccsc1)N(C)C ZINC000590570801 346851732 /nfs/dbraw/zinc/85/17/32/346851732.db2.gz BRSLJDJPEOBWAO-AWEZNQCLSA-N 0 3 286.404 3.038 20 30 CGEDHN C=C(C)CNCc1cn(-c2cccc(C)c2)nc1C ZINC000651780597 398286743 /nfs/dbraw/zinc/28/67/43/398286743.db2.gz NENJAMKYLOYHRH-UHFFFAOYSA-N 0 3 255.365 3.155 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)COCC2CC2)cc1 ZINC000651981717 398315436 /nfs/dbraw/zinc/31/54/36/398315436.db2.gz ZFADMFNHGLCMRA-CQSZACIVSA-N 0 3 275.392 3.156 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCSC[C@@H]1C1CC1 ZINC000590758753 346872393 /nfs/dbraw/zinc/87/23/93/346872393.db2.gz VOOKPUBLKOGYOJ-MRXNPFEDSA-N 0 3 272.417 3.194 20 30 CGEDHN COc1ccc(CN2CC[C@@H](C3CCC3)C2)cc1C#N ZINC000591063418 346898359 /nfs/dbraw/zinc/89/83/59/346898359.db2.gz YIMMOUMCHWWQAY-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN N#CC1(CCN2CC[C@@H](C(F)F)C2)CCCCC1 ZINC000591021378 346895130 /nfs/dbraw/zinc/89/51/30/346895130.db2.gz CSJUAYZTBLPHOT-GFCCVEGCSA-N 0 3 256.340 3.438 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591243345 346911438 /nfs/dbraw/zinc/91/14/38/346911438.db2.gz VSLWBGIIZLYDAT-MRXNPFEDSA-N 0 3 267.376 3.465 20 30 CGEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000358562442 529651639 /nfs/dbraw/zinc/65/16/39/529651639.db2.gz GUNWUAQNDFQDMC-UVBJJODRSA-N 0 3 276.355 3.306 20 30 CGEDHN Cc1nc(CN)ccc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000591570978 346928872 /nfs/dbraw/zinc/92/88/72/346928872.db2.gz NQYHZHASJANZDI-CHWSQXEVSA-N 0 3 294.402 3.132 20 30 CGEDHN N#Cc1ccc(CNC[C@@H](O)CC2CCCC2)cc1Cl ZINC000591765931 346935242 /nfs/dbraw/zinc/93/52/42/346935242.db2.gz SIJNICORXQCFJO-HNNXBMFYSA-N 0 3 292.810 3.242 20 30 CGEDHN C=CCOc1c(Cl)cc(CNCCCF)cc1OC ZINC000623453426 349813307 /nfs/dbraw/zinc/81/33/07/349813307.db2.gz OHKARHVFANSSMB-UHFFFAOYSA-N 0 3 287.762 3.363 20 30 CGEDHN C=CC[C@H](CO)CNCc1csc(C(F)(F)F)c1 ZINC000623483670 349817184 /nfs/dbraw/zinc/81/71/84/349817184.db2.gz NKQMNYLIWOGLDC-VIFPVBQESA-N 0 3 279.327 3.041 20 30 CGEDHN C=CCOCCNCc1ccsc1C(F)(F)F ZINC000623487745 349818474 /nfs/dbraw/zinc/81/84/74/349818474.db2.gz PVSKQGCCXPTDLR-UHFFFAOYSA-N 0 3 265.300 3.059 20 30 CGEDHN C=CCC[C@@H](CO)NCc1csc(C(F)(F)F)c1 ZINC000623542030 349829998 /nfs/dbraw/zinc/82/99/98/349829998.db2.gz KOAQGHAFRLTQLP-JTQLQIEISA-N 0 3 279.327 3.184 20 30 CGEDHN C=CCC[C@H](CO)NCc1csc(C(F)(F)F)c1 ZINC000623542031 349830329 /nfs/dbraw/zinc/83/03/29/349830329.db2.gz KOAQGHAFRLTQLP-SNVBAGLBSA-N 0 3 279.327 3.184 20 30 CGEDHN C=CC(C)(C)CCNCc1cn2cccc(F)c2n1 ZINC000623593075 349843607 /nfs/dbraw/zinc/84/36/07/349843607.db2.gz SCXBSAXJOANXPA-UHFFFAOYSA-N 0 3 261.344 3.165 20 30 CGEDHN C=CCN(CCC[C@H]1CCOC1)Cc1cccc(C#N)c1 ZINC000592065364 346959319 /nfs/dbraw/zinc/95/93/19/346959319.db2.gz SWYRPNOMBZIQHT-INIZCTEOSA-N 0 3 284.403 3.363 20 30 CGEDHN N#CC[C@]1(O)CCN(Cc2ccc(-c3ccsc3)cc2)C1 ZINC000592154889 346967560 /nfs/dbraw/zinc/96/75/60/346967560.db2.gz VLTSVHNXWPRGAB-KRWDZBQOSA-N 0 3 298.411 3.266 20 30 CGEDHN CC(C)c1ccc([C@H](C)N2CC[C@](O)(CC#N)C2)cc1 ZINC000592151320 346967870 /nfs/dbraw/zinc/96/78/70/346967870.db2.gz LNVKWHYBJNVZIM-WMLDXEAASA-N 0 3 272.392 3.221 20 30 CGEDHN CN(C)c1ccccc1CN1CCC(CCC#N)CC1 ZINC000592135500 346965731 /nfs/dbraw/zinc/96/57/31/346965731.db2.gz HNMHLXAGKNULJX-UHFFFAOYSA-N 0 3 271.408 3.268 20 30 CGEDHN C=C(C)[C@H](CO)S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000592354519 346978134 /nfs/dbraw/zinc/97/81/34/346978134.db2.gz JSSDZUYTPQHOOC-SJORKVTESA-N 0 3 291.460 3.321 20 30 CGEDHN CN(CCCC#N)Cc1ccccc1N1CCCC1 ZINC000053144015 260213311 /nfs/dbraw/zinc/21/33/11/260213311.db2.gz NWNGSVBUVSIPCS-UHFFFAOYSA-N 0 3 257.381 3.022 20 30 CGEDHN C[C@H](N[C@H]1CNc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000593319783 347062180 /nfs/dbraw/zinc/06/21/80/347062180.db2.gz PKWKTJCHFRSSAW-BLLLJJGKSA-N 0 3 295.361 3.385 20 30 CGEDHN C=CCN(CCC(=O)N1CCCCC1)Cc1cccs1 ZINC000046503120 345039991 /nfs/dbraw/zinc/03/99/91/345039991.db2.gz PYMCUMJPTBGTHH-UHFFFAOYSA-N 0 3 292.448 3.139 20 30 CGEDHN Cc1cccc(OCCN(C)Cc2cccc(C#N)c2)c1 ZINC000053420962 345120175 /nfs/dbraw/zinc/12/01/75/345120175.db2.gz PANQWCOJXCXXSV-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN C[C@H](COc1cccc(F)c1)NCc1cccc(C#N)c1 ZINC000060527587 345218222 /nfs/dbraw/zinc/21/82/22/345218222.db2.gz NZBGCSXGKCUNFZ-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ncccc2C#N)C1 ZINC000064915970 345266550 /nfs/dbraw/zinc/26/65/50/345266550.db2.gz XAVPLHUWTMQWOX-WMLDXEAASA-N 0 3 292.386 3.201 20 30 CGEDHN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)C(C)C ZINC000075673598 345518371 /nfs/dbraw/zinc/51/83/71/345518371.db2.gz OVNBOHTYQDXKCZ-CYBMUJFWSA-N 0 3 298.390 3.475 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000091536466 345817735 /nfs/dbraw/zinc/81/77/35/345817735.db2.gz UNMJMSMKKGVMOF-LLVKDONJSA-N 0 3 251.326 3.025 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC000162926604 232255011 /nfs/dbraw/zinc/25/50/11/232255011.db2.gz JRVZQCPVJCELNE-BETUJISGSA-N 0 3 260.768 3.444 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc(OC(F)F)cn2)CC1 ZINC000094156392 345896790 /nfs/dbraw/zinc/89/67/90/345896790.db2.gz CWIJGOVGBDFXIT-UHFFFAOYSA-N 0 3 297.349 3.135 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NC1(C#N)CCCCC1 ZINC000150887306 346134657 /nfs/dbraw/zinc/13/46/57/346134657.db2.gz RAHRLYMCDKYVNQ-UHFFFAOYSA-N 0 3 291.439 3.007 20 30 CGEDHN C=CC(C)(C)CC[NH2+][C@@H](c1cccs1)c1nnc[n-]1 ZINC000624037002 349951573 /nfs/dbraw/zinc/95/15/73/349951573.db2.gz IFPBIPOSPCMAPG-LBPRGKRZSA-N 0 3 276.409 3.148 20 30 CGEDHN C=CCN(Cc1cc(C)ncn1)CC1CCCCC1 ZINC000292328181 346427741 /nfs/dbraw/zinc/42/77/41/346427741.db2.gz BXCAQCMUWMVYOQ-UHFFFAOYSA-N 0 3 259.397 3.353 20 30 CGEDHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 ZINC000310897355 346471887 /nfs/dbraw/zinc/47/18/87/346471887.db2.gz AMNCQLGNXYADRV-GXFFZTMASA-N 0 3 250.292 3.397 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1ncc(Br)cn1 ZINC000340423803 346502604 /nfs/dbraw/zinc/50/26/04/346502604.db2.gz OECIOAUGEXERNJ-GARJFASQSA-N 0 3 298.228 3.490 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(C)cc1Cl ZINC000320727211 346490077 /nfs/dbraw/zinc/49/00/77/346490077.db2.gz JPRCYJDVURRZBY-CYBMUJFWSA-N 0 3 253.773 3.065 20 30 CGEDHN COc1cc(OC)c(CNCC(C)(C)CCC#N)cc1F ZINC000593629386 347097281 /nfs/dbraw/zinc/09/72/81/347097281.db2.gz SCTZUMLFCVJWTQ-UHFFFAOYSA-N 0 3 294.370 3.262 20 30 CGEDHN N#CC1(CNC2CCC3(CCOCC3)CC2)CCCC1 ZINC000593652990 347099315 /nfs/dbraw/zinc/09/93/15/347099315.db2.gz VCQLAQAZCYFGRP-UHFFFAOYSA-N 0 3 276.424 3.399 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](CCC)OC)cc1 ZINC000378825896 346554080 /nfs/dbraw/zinc/55/40/80/346554080.db2.gz PEAZYPUGCQQUKD-MRXNPFEDSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)o2)CCc2ccccc21 ZINC000593678210 347102899 /nfs/dbraw/zinc/10/28/99/347102899.db2.gz BFPLDOMGGVTHHK-ZDUSSCGKSA-N 0 3 266.344 3.313 20 30 CGEDHN COC[C@H](C)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000525874642 346641665 /nfs/dbraw/zinc/64/16/65/346641665.db2.gz OKWNBIRNKLPXDJ-PVAVHDDUSA-N 0 3 272.392 3.041 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000586788633 346735365 /nfs/dbraw/zinc/73/53/65/346735365.db2.gz MNRDHGGLUDASGB-NSHDSACASA-N 0 3 293.326 3.256 20 30 CGEDHN CCC(C)(C)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000594612821 347204190 /nfs/dbraw/zinc/20/41/90/347204190.db2.gz MCAVICVHMMXOFE-UHFFFAOYSA-N 0 3 265.445 3.123 20 30 CGEDHN CC(C)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594424617 347173858 /nfs/dbraw/zinc/17/38/58/347173858.db2.gz BYIUDKFZTMIKPU-HNNXBMFYSA-N 0 3 273.380 3.160 20 30 CGEDHN C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594435289 347174657 /nfs/dbraw/zinc/17/46/57/347174657.db2.gz AOINXFCMXXKDIQ-ZBFHGGJFSA-N 0 3 299.418 3.328 20 30 CGEDHN C[C@H](CCC1CCCCC1)NC(=O)[C@@H](N)CCCCC#N ZINC000594447912 347174814 /nfs/dbraw/zinc/17/48/14/347174814.db2.gz XMGAFROHABSDBS-ZBFHGGJFSA-N 0 3 293.455 3.263 20 30 CGEDHN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594440354 347174911 /nfs/dbraw/zinc/17/49/11/347174911.db2.gz YHAGVQBUZYLWRN-ARFHVFGLSA-N 0 3 293.455 3.119 20 30 CGEDHN C=C[C@H](C)N[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594501914 347180865 /nfs/dbraw/zinc/18/08/65/347180865.db2.gz FHCBBEZQQDZEJO-XHDPSFHLSA-N 0 3 259.349 3.015 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594508098 347182368 /nfs/dbraw/zinc/18/23/68/347182368.db2.gz ATRNYPTZORZHRJ-CABCVRRESA-N 0 3 276.405 3.057 20 30 CGEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cc[nH]c(=O)c1 ZINC000594516857 347186280 /nfs/dbraw/zinc/18/62/80/347186280.db2.gz GMBBBKQVZASBMQ-CYBMUJFWSA-N 0 3 295.386 3.439 20 30 CGEDHN CN(C)CCS[C@H](C#N)c1ccc(Cl)cc1 ZINC000594892363 347221530 /nfs/dbraw/zinc/22/15/30/347221530.db2.gz UZJGFOFOBMTNSJ-GFCCVEGCSA-N 0 3 254.786 3.199 20 30 CGEDHN CC[C@@H]1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000594950506 347238591 /nfs/dbraw/zinc/23/85/91/347238591.db2.gz NCQHDIRYLOSVFK-UXLLHSPISA-N 0 3 270.376 3.093 20 30 CGEDHN C=CCCSCCNCc1ccc(OC)c(F)c1 ZINC000594959721 347240534 /nfs/dbraw/zinc/24/05/34/347240534.db2.gz AWFWZANECKTWNJ-UHFFFAOYSA-N 0 3 269.385 3.233 20 30 CGEDHN C=CCCSCCNCc1c[nH]nc1C(C)(C)C ZINC000594959935 347241523 /nfs/dbraw/zinc/24/15/23/347241523.db2.gz GKXZUDXPFMUNPF-UHFFFAOYSA-N 0 3 267.442 3.106 20 30 CGEDHN Cc1cc(CNC[C@@]2(C)CC2(F)F)ccc1C#N ZINC000594976365 347246873 /nfs/dbraw/zinc/24/68/73/347246873.db2.gz BDQIHLUGKKVGPL-CYBMUJFWSA-N 0 3 250.292 3.002 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052613 347269854 /nfs/dbraw/zinc/26/98/54/347269854.db2.gz SGNRIZUWAYDBBL-NSHDSACASA-N 0 3 264.325 3.220 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)NCCc1ccc(C#N)cc1 ZINC000595418093 347300300 /nfs/dbraw/zinc/30/03/00/347300300.db2.gz PBRMWLONILNBEH-LLVKDONJSA-N 0 3 269.348 3.056 20 30 CGEDHN C[C@H](NCCC(C)(C)F)c1ccc(C#N)cc1F ZINC000595082664 347279600 /nfs/dbraw/zinc/27/96/00/347279600.db2.gz CINKUMNXTRGGLC-JTQLQIEISA-N 0 3 252.308 3.486 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3ccc(O)cc32)C1 ZINC000595087790 347280384 /nfs/dbraw/zinc/28/03/84/347280384.db2.gz DOMXCPVRCCQVFV-KFNAQCHYSA-N 0 3 256.349 3.051 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)C1(C)C ZINC000595090484 347280601 /nfs/dbraw/zinc/28/06/01/347280601.db2.gz GFBIYSNDBNKDFY-ZIAGYGMSSA-N 0 3 264.413 3.254 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1onc(C)c1[N+](=O)[O-] ZINC000595602012 347324218 /nfs/dbraw/zinc/32/42/18/347324218.db2.gz FPWFXIDQLLDNCN-NWDGAFQWSA-N 0 3 279.340 3.116 20 30 CGEDHN Cc1ccccc1OCCCN1CCC[C@H](CC#N)C1 ZINC000595615815 347327369 /nfs/dbraw/zinc/32/73/69/347327369.db2.gz UGUFYUTZQVTNJT-MRXNPFEDSA-N 0 3 272.392 3.390 20 30 CGEDHN C[C@H]1COC2(CCCC2)CN1CCc1ccc(C#N)cc1 ZINC000595809519 347357255 /nfs/dbraw/zinc/35/72/55/347357255.db2.gz SIRPTPMVWVXGQB-HNNXBMFYSA-N 0 3 284.403 3.134 20 30 CGEDHN CO[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595548615 347318109 /nfs/dbraw/zinc/31/81/09/347318109.db2.gz CQSIXLSXZYUCSL-DYVFJYSZSA-N 0 3 272.392 3.366 20 30 CGEDHN N#CCCCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595830837 347361978 /nfs/dbraw/zinc/36/19/78/347361978.db2.gz XGIPVPVYNDSWGL-LBPRGKRZSA-N 0 3 287.190 3.310 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cnccc2C(F)(F)F)C1 ZINC000596117451 347385405 /nfs/dbraw/zinc/38/54/05/347385405.db2.gz GPKCLUWCGIIQQB-CMPLNLGQSA-N 0 3 283.297 3.272 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1ccc(C(=O)OC)cc1F ZINC000597222331 347556811 /nfs/dbraw/zinc/55/68/11/347556811.db2.gz MCZRXAHSEVZXKX-RYUDHWBXSA-N 0 3 279.355 3.303 20 30 CGEDHN Cc1oc2ccccc2c1CNC[C@H](O)CC(C)(C)C#N ZINC000598725799 347683535 /nfs/dbraw/zinc/68/35/35/347683535.db2.gz ZYWMWDMPFSXNFU-CYBMUJFWSA-N 0 3 286.375 3.132 20 30 CGEDHN CCC[C@@H](CN[C@@H](C)c1cccc(C#N)c1)OCC ZINC000599061142 347712743 /nfs/dbraw/zinc/71/27/43/347712743.db2.gz OEYGYVZDFLLERJ-BBRMVZONSA-N 0 3 260.381 3.414 20 30 CGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598589145 347667363 /nfs/dbraw/zinc/66/73/63/347667363.db2.gz RAFOYFRAOCPIRG-YPMHNXCESA-N 0 3 295.452 3.054 20 30 CGEDHN C[C@H](c1ccco1)N(C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598598418 347669224 /nfs/dbraw/zinc/66/92/24/347669224.db2.gz RKJYKEZPOHLYKE-OCCSQVGLSA-N 0 3 276.380 3.106 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000598605103 347670625 /nfs/dbraw/zinc/67/06/25/347670625.db2.gz YUOPBQNXCBZQHE-QTYXSNHHSA-N 0 3 298.430 3.465 20 30 CGEDHN CC(C)[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598627447 347673211 /nfs/dbraw/zinc/67/32/11/347673211.db2.gz UFHAZSWTJDNEFI-BBRMVZONSA-N 0 3 292.398 3.413 20 30 CGEDHN CSC[C@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC000599319628 347735535 /nfs/dbraw/zinc/73/55/35/347735535.db2.gz OTZHUEQEIDFJBE-OAHLLOKOSA-N 0 3 260.406 3.194 20 30 CGEDHN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Cl)s1 ZINC000599359237 347739628 /nfs/dbraw/zinc/73/96/28/347739628.db2.gz MAULVIIUCGROBS-MNOVXSKESA-N 0 3 298.839 3.497 20 30 CGEDHN CC[C@@H](CC#N)NCC1(O)CCC(c2ccccc2)CC1 ZINC000599438303 347745524 /nfs/dbraw/zinc/74/55/24/347745524.db2.gz VEPVIJPZFNJJOJ-ADKAHSJRSA-N 0 3 286.419 3.357 20 30 CGEDHN C[C@H]1CN(CCOc2ccccc2C#N)C[C@H](C)C1(F)F ZINC000599514783 347749927 /nfs/dbraw/zinc/74/99/27/347749927.db2.gz ZVBSSBOLQWAZLX-STQMWFEESA-N 0 3 294.345 3.160 20 30 CGEDHN N#Cc1cccc(CN2CCCC(F)(F)CC2)c1 ZINC000599551216 347753622 /nfs/dbraw/zinc/75/36/22/347753622.db2.gz IKYOEJZKAMILHL-UHFFFAOYSA-N 0 3 250.292 3.179 20 30 CGEDHN CC1(C)CCC[C@@](CO)(NCc2cccc(C#N)c2F)C1 ZINC000599593940 347756843 /nfs/dbraw/zinc/75/68/43/347756843.db2.gz HJFUTBNUTIAAAY-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN CCOCCN(CCCC#N)[C@H]1CCc2ccccc21 ZINC000599625742 347759478 /nfs/dbraw/zinc/75/94/78/347759478.db2.gz NSSWRWGCBLNQDE-KRWDZBQOSA-N 0 3 272.392 3.316 20 30 CGEDHN CC(C)CCO[C@H]1CC[C@H](NC[C@@H](C#N)CCC#N)CC1 ZINC000600764171 347832390 /nfs/dbraw/zinc/83/23/90/347832390.db2.gz YOZCTYMYXDXODN-BRWVUGGUSA-N 0 3 291.439 3.393 20 30 CGEDHN N#Cc1cc(-c2ccc(C[C@H]3CC[NH2+]C3)cc2)ccc1[O-] ZINC000600780790 347834212 /nfs/dbraw/zinc/83/42/12/347834212.db2.gz VSHBLGLFWNAVBL-CQSZACIVSA-N 0 3 278.355 3.083 20 30 CGEDHN Cc1cc(CNCc2cccc3c2CCOC3)ccc1C#N ZINC000601155901 347876059 /nfs/dbraw/zinc/87/60/59/347876059.db2.gz NZAVYVOVXFZRJS-UHFFFAOYSA-N 0 3 292.382 3.229 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC)c1OC ZINC000601283197 347888836 /nfs/dbraw/zinc/88/88/36/347888836.db2.gz RDIMXGREVAXBLB-GUTXKFCHSA-N 0 3 288.391 3.437 20 30 CGEDHN CCC[C@@H](CCc1ccccc1)N1CCN(CCC#N)CC1 ZINC000601316445 347891164 /nfs/dbraw/zinc/89/11/64/347891164.db2.gz ZONGAKLDGCASQZ-IBGZPJMESA-N 0 3 299.462 3.319 20 30 CGEDHN CCSCC[C@@H](C)NCc1cccc(F)c1C#N ZINC000602014692 347933420 /nfs/dbraw/zinc/93/34/20/347933420.db2.gz VSTPKROBXQVIHE-LLVKDONJSA-N 0 3 266.385 3.319 20 30 CGEDHN CC(C)(CNCc1cccc(F)c1C#N)c1cccnc1 ZINC000602020624 347934289 /nfs/dbraw/zinc/93/42/89/347934289.db2.gz PZFOHNBPPMZICT-UHFFFAOYSA-N 0 3 283.350 3.160 20 30 CGEDHN CSCC1(CCNCc2cccc(F)c2C#N)CC1 ZINC000602027702 347934960 /nfs/dbraw/zinc/93/49/60/347934960.db2.gz IYIGFTHEASFHST-UHFFFAOYSA-N 0 3 278.396 3.320 20 30 CGEDHN CC[C@H](C)[C@@H](CN(C)Cc1cccc(C#N)c1)OC ZINC000602438801 347957813 /nfs/dbraw/zinc/95/78/13/347957813.db2.gz AOIBNSNKTWNXMI-XJKSGUPXSA-N 0 3 260.381 3.051 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(Cc2ccccc2)C[C@H]1C ZINC000602468776 347964200 /nfs/dbraw/zinc/96/42/00/347964200.db2.gz RRNKVHXSPFZWBF-IAGOWNOFSA-N 0 3 285.435 3.133 20 30 CGEDHN N#Cc1ccccc1CSCCNCc1ccns1 ZINC000602501503 347971009 /nfs/dbraw/zinc/97/10/09/347971009.db2.gz HMFDKJKAPLJZNN-UHFFFAOYSA-N 0 3 289.429 3.038 20 30 CGEDHN Cc1ccsc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602526401 347975804 /nfs/dbraw/zinc/97/58/04/347975804.db2.gz WKJWAOANTBIILH-CYBMUJFWSA-N 0 3 278.421 3.245 20 30 CGEDHN CC(C)C1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602574847 347985891 /nfs/dbraw/zinc/98/58/91/347985891.db2.gz FITCJWSXJDQQEC-UHFFFAOYSA-N 0 3 257.381 3.258 20 30 CGEDHN C[C@@H](CCC#N)CNCc1c(F)c(F)cc(F)c1F ZINC000602573771 347986023 /nfs/dbraw/zinc/98/60/23/347986023.db2.gz UGCJUVDGDHVMLA-QMMMGPOBSA-N 0 3 274.261 3.272 20 30 CGEDHN COc1c2ccccc2oc1CNC[C@@H](C)CCC#N ZINC000602640771 347999361 /nfs/dbraw/zinc/99/93/61/347999361.db2.gz CUPLJDSTBHGACW-LBPRGKRZSA-N 0 3 272.348 3.471 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CC1(F)F ZINC000602657275 348002898 /nfs/dbraw/zinc/00/28/98/348002898.db2.gz DACAMDFYPPUDKL-LDYMZIIASA-N 0 3 270.710 3.345 20 30 CGEDHN CC[C@@H](C)[C@@H](CNCc1ccc(C#N)c(Cl)c1)OC ZINC000602659973 348003588 /nfs/dbraw/zinc/00/35/88/348003588.db2.gz ZKKQENKKOPDPHI-IAQYHMDHSA-N 0 3 280.799 3.362 20 30 CGEDHN CC(C)N(Cc1cccc(C#N)n1)C1CC(C)(C)C1 ZINC000602684968 348009133 /nfs/dbraw/zinc/00/91/33/348009133.db2.gz CIDVUICUDJNIKY-UHFFFAOYSA-N 0 3 257.381 3.352 20 30 CGEDHN C[C@H](CCC#N)CN1C[C@H](C)OC2(CCCCC2)C1 ZINC000602712959 348015776 /nfs/dbraw/zinc/01/57/76/348015776.db2.gz WWIJJBLYUOZWNL-CABCVRRESA-N 0 3 264.413 3.350 20 30 CGEDHN N#Cc1cccc(CN2CCC(Cc3nccs3)CC2)c1 ZINC000602733156 348020918 /nfs/dbraw/zinc/02/09/18/348020918.db2.gz JRXJEHJUJPGMJE-UHFFFAOYSA-N 0 3 297.427 3.469 20 30 CGEDHN CCCC1CCC(CN2CCN(CCC#N)CC2)CC1 ZINC000602748362 348023401 /nfs/dbraw/zinc/02/34/01/348023401.db2.gz MLFLOSXGMQTOCO-UHFFFAOYSA-N 0 3 277.456 3.124 20 30 CGEDHN C=CCSCCNCc1c(C)cccc1OC ZINC000602546622 347979379 /nfs/dbraw/zinc/97/93/79/347979379.db2.gz VWTFTEZPHWGYCP-UHFFFAOYSA-N 0 3 251.395 3.012 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 ZINC000602556306 347981498 /nfs/dbraw/zinc/98/14/98/347981498.db2.gz KZNVXJWTJOXXBH-MGPQQGTHSA-N 0 3 255.365 3.012 20 30 CGEDHN C[C@H](CN(CC1(CC#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000602831478 348034876 /nfs/dbraw/zinc/03/48/76/348034876.db2.gz XVDUSDZOGNQJMD-CVEARBPZSA-N 0 3 286.419 3.167 20 30 CGEDHN C[C@]1(c2ccc(F)cc2)CCN(CC2(CC#N)CC2)C1 ZINC000602831169 348034995 /nfs/dbraw/zinc/03/49/95/348034995.db2.gz ZRYWQQHVTUIAKH-INIZCTEOSA-N 0 3 272.367 3.483 20 30 CGEDHN N#CCC1(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000602852838 348037049 /nfs/dbraw/zinc/03/70/49/348037049.db2.gz RPWBZZLTXZKDGY-ROUUACIJSA-N 0 3 298.430 3.138 20 30 CGEDHN C[C@@H]1CC[C@H](CN2CCC(Nc3ccccc3C#N)CC2)O1 ZINC000602896482 348041823 /nfs/dbraw/zinc/04/18/23/348041823.db2.gz ROGINDYMKABLJF-RHSMWYFYSA-N 0 3 299.418 3.002 20 30 CGEDHN COc1ccc([C@H]2CCN(CC3(CC#N)CC3)C2)cc1F ZINC000602915379 348043256 /nfs/dbraw/zinc/04/32/56/348043256.db2.gz CHTHMSZCNQNUDN-AWEZNQCLSA-N 0 3 288.366 3.317 20 30 CGEDHN Cc1ncc([C@@H](C)NCCOc2cccc(C#N)c2)s1 ZINC000602957319 348046893 /nfs/dbraw/zinc/04/68/93/348046893.db2.gz ROILERXLEVLTFV-LLVKDONJSA-N 0 3 287.388 3.053 20 30 CGEDHN COc1cncc(/C=C/CCN(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602982617 348052554 /nfs/dbraw/zinc/05/25/54/348052554.db2.gz VOFOUBGFCGUEJX-AIESJDIKSA-N 0 3 285.391 3.118 20 30 CGEDHN C[C@@]1(C2CCCCC2)CCN1Cc1ccc(C#N)cn1 ZINC000603029795 348054393 /nfs/dbraw/zinc/05/43/93/348054393.db2.gz OPWVOVCUQHXAPS-KRWDZBQOSA-N 0 3 269.392 3.498 20 30 CGEDHN Cc1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000604497576 348121436 /nfs/dbraw/zinc/12/14/36/348121436.db2.gz VSUYRDCIAQNGHK-UHFFFAOYSA-N 0 3 295.386 3.218 20 30 CGEDHN CN(C)Cc1cccc(NCc2cc(C#N)ccc2F)c1 ZINC000603658863 348092360 /nfs/dbraw/zinc/09/23/60/348092360.db2.gz JKKDLSYCOXSSPG-UHFFFAOYSA-N 0 3 283.350 3.371 20 30 CGEDHN Cc1ccc(CCCNCc2ccc(C#N)o2)c(C)c1 ZINC000610270744 348369789 /nfs/dbraw/zinc/36/97/89/348369789.db2.gz PYFGYELLKNDNBZ-UHFFFAOYSA-N 0 3 268.360 3.491 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]2Cc2ccccc2)ccn1 ZINC000610991208 348413881 /nfs/dbraw/zinc/41/38/81/348413881.db2.gz DSJQMYKEHRCLAJ-GOSISDBHSA-N 0 3 277.371 3.160 20 30 CGEDHN C=CCN(Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000273353295 192124127 /nfs/dbraw/zinc/12/41/27/192124127.db2.gz BLJGAGAKOGDRTG-UHFFFAOYSA-N 0 3 281.359 3.419 20 30 CGEDHN CN(C)CCOc1ccc(CNc2cccc(C#N)c2)cc1 ZINC000611290071 348435145 /nfs/dbraw/zinc/43/51/45/348435145.db2.gz NSQGWJSCEFRRPP-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN C[C@H](NCC[S@](=O)c1ccccc1)c1cccc(C#N)c1 ZINC000611388623 348443357 /nfs/dbraw/zinc/44/33/57/348443357.db2.gz QASUQXQZRQDQFA-QKKBWIMNSA-N 0 3 298.411 3.017 20 30 CGEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(C#N)c1 ZINC000611386188 348443472 /nfs/dbraw/zinc/44/34/72/348443472.db2.gz FUQUGKOVKTUSAE-GFCCVEGCSA-N 0 3 279.318 3.420 20 30 CGEDHN Cc1noc(C)c1[C@H](C)NCCCOc1cccc(C#N)c1 ZINC000611408996 348447350 /nfs/dbraw/zinc/44/73/50/348447350.db2.gz AGHUEGQSDVILCP-LBPRGKRZSA-N 0 3 299.374 3.283 20 30 CGEDHN C[C@H](C[C@@H]1CCOC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000611587707 348462775 /nfs/dbraw/zinc/46/27/75/348462775.db2.gz PGFZHXJUUMZPKX-BZPMIXESSA-N 0 3 276.355 3.163 20 30 CGEDHN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000612082852 348492118 /nfs/dbraw/zinc/49/21/18/348492118.db2.gz CKHDIPRRNRIXAN-INIZCTEOSA-N 0 3 294.398 3.136 20 30 CGEDHN N#Cc1ccc(CNC2(C3CC3)CC2)c(Br)c1 ZINC000612479128 348522081 /nfs/dbraw/zinc/52/20/81/348522081.db2.gz XRORSYYKDKEXGB-UHFFFAOYSA-N 0 3 291.192 3.353 20 30 CGEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cn[nH]c1 ZINC000614574522 348683874 /nfs/dbraw/zinc/68/38/74/348683874.db2.gz BIPOIZQQVQJDLS-LBPRGKRZSA-N 0 3 268.364 3.062 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCc2ccc(O)cc2CC1 ZINC000614963200 348703235 /nfs/dbraw/zinc/70/32/35/348703235.db2.gz QOLWEXUNZLOURP-AWEZNQCLSA-N 0 3 292.382 3.426 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H](C)CC)C(C)C ZINC000616088238 348785904 /nfs/dbraw/zinc/78/59/04/348785904.db2.gz ONIWOIIMFOMABO-HZPDHXFCSA-N 0 3 295.471 3.125 20 30 CGEDHN CC(C)[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CS1 ZINC000617099134 348917618 /nfs/dbraw/zinc/91/76/18/348917618.db2.gz XEKSMUWZUUITTD-UKRRQHHQSA-N 0 3 278.396 3.317 20 30 CGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(C#N)cc1F ZINC000358560246 233154942 /nfs/dbraw/zinc/15/49/42/233154942.db2.gz QNVVQTBGLOPNGS-SZYCXQDTSA-N 0 3 288.366 3.161 20 30 CGEDHN Cc1ccccc1C[C@@H](C)N(C)Cc1ccnc(C#N)c1 ZINC000618551702 349105853 /nfs/dbraw/zinc/10/58/53/349105853.db2.gz LKVSVYLCFCFLDX-OAHLLOKOSA-N 0 3 279.387 3.325 20 30 CGEDHN CN(C)CCOc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000618574554 349109370 /nfs/dbraw/zinc/10/93/70/349109370.db2.gz BWJXIBMROHVHHY-LSDHHAIUSA-N 0 3 287.407 3.121 20 30 CGEDHN N#CCC1(CN[C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000619526345 349256274 /nfs/dbraw/zinc/25/62/74/349256274.db2.gz ZXIDFITUIOTXEL-CQSZACIVSA-N 0 3 262.303 3.236 20 30 CGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC1(CC#N)CC1 ZINC000619535237 349257873 /nfs/dbraw/zinc/25/78/73/349257873.db2.gz CDYNYXOYLRLLQC-GFCCVEGCSA-N 0 3 274.412 3.291 20 30 CGEDHN CO[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000619673039 349269056 /nfs/dbraw/zinc/26/90/56/349269056.db2.gz IGPNNJQSIZMWLV-TYNCELHUSA-N 0 3 278.783 3.309 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000628404965 350528719 /nfs/dbraw/zinc/52/87/19/350528719.db2.gz AEGRMEWFOKVSJC-OCCSQVGLSA-N 0 3 278.421 3.393 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000628405742 350529623 /nfs/dbraw/zinc/52/96/23/350529623.db2.gz SXBMZAYMIJZAFS-ZDUSSCGKSA-N 0 3 291.391 3.110 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cccc3c2OCCCO3)C1 ZINC000628405999 350529749 /nfs/dbraw/zinc/52/97/49/350529749.db2.gz ZMSSQLBVIQRXSF-CQSZACIVSA-N 0 3 273.376 3.246 20 30 CGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000108248238 186209294 /nfs/dbraw/zinc/20/92/94/186209294.db2.gz GYRUUAZTIKKTKX-AWEZNQCLSA-N 0 3 298.729 3.301 20 30 CGEDHN C=CCCC(C)(C)C[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000631680671 351117546 /nfs/dbraw/zinc/11/75/46/351117546.db2.gz QLJMQNIVDHEVNP-HNNXBMFYSA-N 0 3 284.407 3.476 20 30 CGEDHN C=CCCC(C)(C)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000631680671 351117550 /nfs/dbraw/zinc/11/75/50/351117550.db2.gz QLJMQNIVDHEVNP-HNNXBMFYSA-N 0 3 284.407 3.476 20 30 CGEDHN C=C1CC(C)(C(=O)Nc2cc(C)cc(CN(C)C)c2)C1 ZINC000632150818 351173589 /nfs/dbraw/zinc/17/35/89/351173589.db2.gz OVRQHQSUSMSKSZ-UHFFFAOYSA-N 0 3 272.392 3.351 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000631769019 351139535 /nfs/dbraw/zinc/13/95/35/351139535.db2.gz HDUQOLAXTBKTHF-RDJZCZTQSA-N 0 3 298.430 3.122 20 30 CGEDHN Cc1ccnc(C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000363799566 234000175 /nfs/dbraw/zinc/00/01/75/234000175.db2.gz ZOHANFPIPFBPAT-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN C=CC[C@H](CO)NCc1c(Cl)oc2ccccc21 ZINC000273495779 192174933 /nfs/dbraw/zinc/17/49/33/192174933.db2.gz OFOOLKDZMONINP-SNVBAGLBSA-N 0 3 265.740 3.113 20 30 CGEDHN N#CCCCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157664024 188330637 /nfs/dbraw/zinc/33/06/37/188330637.db2.gz FRKOICVQUHHBEE-OAHLLOKOSA-N 0 3 288.366 3.414 20 30 CGEDHN COc1ccc2c(c1)CCC[C@@H]2CNCc1ccc(C#N)o1 ZINC000167317044 188642455 /nfs/dbraw/zinc/64/24/55/188642455.db2.gz OMJJSRPRZCWIBD-CQSZACIVSA-N 0 3 296.370 3.370 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1cccc(C#N)c1 ZINC000414342813 235392428 /nfs/dbraw/zinc/39/24/28/235392428.db2.gz JKWWZMOYMAZSSP-KCPJHIHWSA-N 0 3 252.317 3.358 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000414345322 235392641 /nfs/dbraw/zinc/39/26/41/235392641.db2.gz SKVPJQGPBJYZCM-NILFDRSVSA-N 0 3 252.317 3.358 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000087771045 283141107 /nfs/dbraw/zinc/14/11/07/283141107.db2.gz ABOUZQXZUKPVFP-CJNGLKHVSA-N 0 3 258.340 3.462 20 30 CGEDHN N#Cc1ccc(CNC2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000352863946 283144588 /nfs/dbraw/zinc/14/45/88/283144588.db2.gz XWFORZINNZDMRZ-UHFFFAOYSA-N 0 3 290.235 3.464 20 30 CGEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCCCC2)c(F)c1 ZINC000418128497 235653366 /nfs/dbraw/zinc/65/33/66/235653366.db2.gz QMONAWNOLDGURB-MRXNPFEDSA-N 0 3 290.382 3.118 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(O)c1 ZINC000334415380 283194999 /nfs/dbraw/zinc/19/49/99/283194999.db2.gz NAGMHVOGHYAOGK-GOSISDBHSA-N 0 3 278.355 3.431 20 30 CGEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1C1CCOCC1 ZINC000336220803 213047215 /nfs/dbraw/zinc/04/72/15/213047215.db2.gz QXQNNODYDDHXQR-QGZVFWFLSA-N 0 3 288.366 3.088 20 30 CGEDHN Cc1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)cc(C#N)n1 ZINC000341550043 216010528 /nfs/dbraw/zinc/01/05/28/216010528.db2.gz AURGQZUXZUKJDX-KRWDZBQOSA-N 0 3 298.365 3.116 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000341825214 216119149 /nfs/dbraw/zinc/11/91/49/216119149.db2.gz PUOUSBUHYAFWCC-WMLDXEAASA-N 0 3 292.386 3.201 20 30 CGEDHN C=CCC(CC=C)C(=O)NCc1ccccc1CN(C)C ZINC000176898239 189013693 /nfs/dbraw/zinc/01/36/93/189013693.db2.gz UHZWMDGPBYIWSS-UHFFFAOYSA-N 0 3 286.419 3.133 20 30 CGEDHN Cc1cccc(O[C@H](C)CNCc2ccc(C#N)s2)c1 ZINC000176976801 189018275 /nfs/dbraw/zinc/01/82/75/189018275.db2.gz HMPVMZJCHQNDQC-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000178073812 189088928 /nfs/dbraw/zinc/08/89/28/189088928.db2.gz KRNRRHNJENRGBJ-HZPDHXFCSA-N 0 3 263.356 3.290 20 30 CGEDHN C=C(C)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179760429 189218888 /nfs/dbraw/zinc/21/88/88/189218888.db2.gz LLJASEXPZPGZHF-INIZCTEOSA-N 0 3 259.349 3.075 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C12CCC2 ZINC000180729164 189272306 /nfs/dbraw/zinc/27/23/06/189272306.db2.gz HLEWKVWORMIWIU-GJZGRUSLSA-N 0 3 290.432 3.399 20 30 CGEDHN C[C@H](NC[C@H](O)C1CCCCC1)c1cccc(C#N)c1 ZINC000181674552 189303588 /nfs/dbraw/zinc/30/35/88/189303588.db2.gz IOTSVBVEBRKSPW-GUYCJALGSA-N 0 3 272.392 3.150 20 30 CGEDHN CC(C)COC1CCN(CCC(C)(C)C#N)CC1 ZINC000119607828 370690021 /nfs/dbraw/zinc/69/00/21/370690021.db2.gz XWLAVZLXQZZERE-UHFFFAOYSA-N 0 3 252.402 3.063 20 30 CGEDHN CCCN(CCC(C)(C)C#N)C[C@@H]1CCCCO1 ZINC000119640400 370695100 /nfs/dbraw/zinc/69/51/00/370695100.db2.gz MNGKDHXEQWLRCV-AWEZNQCLSA-N 0 3 252.402 3.207 20 30 CGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cccs1 ZINC000182540606 189327058 /nfs/dbraw/zinc/32/70/58/189327058.db2.gz QWYFKTCINHEGQY-GFCCVEGCSA-N 0 3 272.373 3.349 20 30 CGEDHN C[C@@H](NCCOc1ccccc1C#N)c1cccs1 ZINC000182551553 189327098 /nfs/dbraw/zinc/32/70/98/189327098.db2.gz GJCOVLIGHDVFPT-GFCCVEGCSA-N 0 3 272.373 3.349 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000302117969 201348204 /nfs/dbraw/zinc/34/82/04/201348204.db2.gz SESLCQDVDIMSKP-ZIAGYGMSSA-N 0 3 299.418 3.293 20 30 CGEDHN COc1ccc([C@H](C)N(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191209859 189586726 /nfs/dbraw/zinc/58/67/26/189586726.db2.gz PMBPTTNZTVIFIC-ZDUSSCGKSA-N 0 3 283.375 3.098 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000451856675 240370205 /nfs/dbraw/zinc/37/02/05/240370205.db2.gz SZOKHPONIWSSTC-CVEARBPZSA-N 0 3 288.366 3.087 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@]3(CCSC3)C2)ccc1F ZINC000451982997 240390044 /nfs/dbraw/zinc/39/00/44/240390044.db2.gz UMIWBTCIEIVMAK-MRXNPFEDSA-N 0 3 290.407 3.416 20 30 CGEDHN C[C@H](CN(C)Cc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000459752286 242210922 /nfs/dbraw/zinc/21/09/22/242210922.db2.gz BJHCQWGNCFBNID-LLVKDONJSA-N 0 3 294.420 3.029 20 30 CGEDHN C[C@H](NC/C=C/c1ccncc1)c1ccc(C#N)cc1 ZINC000486979093 243389926 /nfs/dbraw/zinc/38/99/26/243389926.db2.gz DGZBYIIODZHVJD-HSWBROFVSA-N 0 3 263.344 3.317 20 30 CGEDHN C=CCN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000035046540 368993602 /nfs/dbraw/zinc/99/36/02/368993602.db2.gz NCEFVUMKNIYUSV-VIFPVBQESA-N 0 3 270.170 3.294 20 30 CGEDHN CCCN(CCC)C(=O)C(C#N)CCc1ccccc1 ZINC000057684387 369545705 /nfs/dbraw/zinc/54/57/05/369545705.db2.gz PLZUFUFFCMVFRY-INIZCTEOSA-N 0 3 272.392 3.408 20 30 CGEDHN C=CCN(CCc1cnn(CC)c1)Cc1cccc(C#N)c1 ZINC000276270659 193266181 /nfs/dbraw/zinc/26/61/81/193266181.db2.gz CVBZYTSGHQRGEP-UHFFFAOYSA-N 0 3 294.402 3.005 20 30 CGEDHN CC1(C)CCN(CCOc2ccccc2C#N)CC1 ZINC000061803723 369607026 /nfs/dbraw/zinc/60/70/26/369607026.db2.gz QXWIZIXYAUOIPK-UHFFFAOYSA-N 0 3 258.365 3.059 20 30 CGEDHN CC(C)N(CCCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350196 369653161 /nfs/dbraw/zinc/65/31/61/369653161.db2.gz FXZDCWWYUCXJBN-UHFFFAOYSA-N 0 3 261.325 3.109 20 30 CGEDHN C=CCC[C@H](NCC[S@](=O)C(C)(C)C)c1ccco1 ZINC000276436082 193331186 /nfs/dbraw/zinc/33/11/86/193331186.db2.gz JNQRYPCQBIBUIG-DJJJIMSYSA-N 0 3 283.437 3.424 20 30 CGEDHN Cc1cc(C#N)cc(C)c1OCCN1CCCCC1 ZINC000088154215 370029495 /nfs/dbraw/zinc/02/94/95/370029495.db2.gz UWUWDZMOIXFGFT-UHFFFAOYSA-N 0 3 258.365 3.040 20 30 CGEDHN N#CCCCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000079962462 369980677 /nfs/dbraw/zinc/98/06/77/369980677.db2.gz AETUKBMMGZQKBG-ZDUSSCGKSA-N 0 3 269.348 3.311 20 30 CGEDHN CS[C@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000092064280 370091287 /nfs/dbraw/zinc/09/12/87/370091287.db2.gz SGBFOFJTHAZASR-LBPRGKRZSA-N 0 3 266.435 3.337 20 30 CGEDHN C=C(C)CN1CCC(NCc2csc(C3CC3)n2)CC1 ZINC000113338741 370471792 /nfs/dbraw/zinc/47/17/92/370471792.db2.gz QANWRZDDTNPVLC-UHFFFAOYSA-N 0 3 291.464 3.151 20 30 CGEDHN Cc1noc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000118394097 370613871 /nfs/dbraw/zinc/61/38/71/370613871.db2.gz TXRIAFAXBNSHQE-LBPRGKRZSA-N 0 3 296.374 3.190 20 30 CGEDHN CC[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000130406759 371031724 /nfs/dbraw/zinc/03/17/24/371031724.db2.gz AOJNYQZTQIAWPT-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCCN(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000132604675 371186795 /nfs/dbraw/zinc/18/67/95/371186795.db2.gz FERQRYWZOOMGKY-AWEZNQCLSA-N 0 3 274.408 3.064 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000132607249 371188545 /nfs/dbraw/zinc/18/85/45/371188545.db2.gz XHTJOXHEPVYHCG-UHFFFAOYSA-N 0 3 292.810 3.064 20 30 CGEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000135688507 371444277 /nfs/dbraw/zinc/44/42/77/371444277.db2.gz MCQNVDMLKWIKIL-LLVKDONJSA-N 0 3 272.373 3.479 20 30 CGEDHN C=CCC[C@@H](NC[C@@H]1CCCN(C(C)=O)C1)c1ccco1 ZINC000287276719 371633346 /nfs/dbraw/zinc/63/33/46/371633346.db2.gz CSAAHOCRLSZDNS-JKSUJKDBSA-N 0 3 290.407 3.135 20 30 CGEDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000421896454 371702222 /nfs/dbraw/zinc/70/22/22/371702222.db2.gz ZOKYLUSREPYGTC-LLVKDONJSA-N 0 3 299.399 3.429 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](CC)c1cccc(Br)c1 ZINC000289560417 371762208 /nfs/dbraw/zinc/76/22/08/371762208.db2.gz AKADUPKMKYQQPG-STQMWFEESA-N 0 3 284.197 3.037 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337320631 214004476 /nfs/dbraw/zinc/00/44/76/214004476.db2.gz ZDFDTACYRFXSPY-KGLIPLIRSA-N 0 3 280.318 3.198 20 30 CGEDHN CC[C@H](NCCc1nnc(C)s1)c1ccc(C#N)cc1 ZINC000289670791 371788366 /nfs/dbraw/zinc/78/83/66/371788366.db2.gz HFCBCKKMCMZICY-AWEZNQCLSA-N 0 3 286.404 3.002 20 30 CGEDHN Cc1nc(CN)ccc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000422977666 371899063 /nfs/dbraw/zinc/89/90/63/371899063.db2.gz XEOYWBDJRYDRRG-OLZOCXBDSA-N 0 3 294.402 3.132 20 30 CGEDHN C=C(C)CN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000157698785 372033098 /nfs/dbraw/zinc/03/30/98/372033098.db2.gz PKYVAWVTJAVKMJ-CQSZACIVSA-N 0 3 282.428 3.141 20 30 CGEDHN CO[C@](C)(CN[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000291257428 372148388 /nfs/dbraw/zinc/14/83/88/372148388.db2.gz PRQMNIHGRJIRCS-MEDUHNTESA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCC[C@H](CC)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427977052 372177403 /nfs/dbraw/zinc/17/74/03/372177403.db2.gz YCKCSPRZLMTXST-AWEZNQCLSA-N 0 3 272.392 3.492 20 30 CGEDHN Oc1cccc2c1C[C@@H](NCC#Cc1ccc(Cl)cc1)C2 ZINC000429225607 372323592 /nfs/dbraw/zinc/32/35/92/372323592.db2.gz GZRLSOSVMCMHDJ-INIZCTEOSA-N 0 3 297.785 3.154 20 30 CGEDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1CC#N ZINC000429388178 372360729 /nfs/dbraw/zinc/36/07/29/372360729.db2.gz QVQQEDOJPSXEHS-LJQANCHMSA-N 0 3 299.462 3.175 20 30 CGEDHN Oc1cccc2c1C[C@@H](NCC#Cc1cccc(Cl)c1)C2 ZINC000429312495 372350650 /nfs/dbraw/zinc/35/06/50/372350650.db2.gz WYHBYIUVHBYAIW-INIZCTEOSA-N 0 3 297.785 3.154 20 30 CGEDHN N#CCC1(CNCc2ccc3ncccc3c2)CC1 ZINC000430064539 372383050 /nfs/dbraw/zinc/38/30/50/372383050.db2.gz HYASLFAIKTVRAW-UHFFFAOYSA-N 0 3 251.333 3.018 20 30 CGEDHN COCCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000430725630 372394486 /nfs/dbraw/zinc/39/44/86/372394486.db2.gz RGGHTIQGCYHPLZ-CQSZACIVSA-N 0 3 288.391 3.056 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000430748776 372394866 /nfs/dbraw/zinc/39/48/66/372394866.db2.gz RQXQYCKVHHUMMA-CQSZACIVSA-N 0 3 273.336 3.329 20 30 CGEDHN N#CCC1(CN[C@H]2CCCOc3ccccc32)CC1 ZINC000430760870 372396366 /nfs/dbraw/zinc/39/63/66/372396366.db2.gz KGTHVDYPSYOQMW-AWEZNQCLSA-N 0 3 256.349 3.184 20 30 CGEDHN CC(C)(C)OC1CC(NCc2ccc(C#N)s2)C1 ZINC000344345059 217160553 /nfs/dbraw/zinc/16/05/53/217160553.db2.gz BTAAWCPOXYLXMC-UHFFFAOYSA-N 0 3 264.394 3.055 20 30 CGEDHN Cc1ccccc1[C@@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000431423952 372470645 /nfs/dbraw/zinc/47/06/45/372470645.db2.gz WVYBOLWWFBIICR-TZMCWYRMSA-N 0 3 258.365 3.358 20 30 CGEDHN Cc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)o1 ZINC000433123445 372582130 /nfs/dbraw/zinc/58/21/30/372582130.db2.gz UXIVLTQOUXVBRO-MRXNPFEDSA-N 0 3 296.370 3.319 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCC1CCCC1 ZINC000433219216 372584133 /nfs/dbraw/zinc/58/41/33/372584133.db2.gz HFWPACCWUIWLQZ-INIZCTEOSA-N 0 3 270.376 3.065 20 30 CGEDHN CC[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433218444 372584327 /nfs/dbraw/zinc/58/43/27/372584327.db2.gz IJQILLJBSGVJED-NVXWUHKLSA-N 0 3 284.403 3.408 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000433367733 372598162 /nfs/dbraw/zinc/59/81/62/372598162.db2.gz RMVXGZXDXZEMLK-ULQDDVLXSA-N 0 3 282.387 3.017 20 30 CGEDHN CC(C)CCOCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353381988 220054118 /nfs/dbraw/zinc/05/41/18/220054118.db2.gz HDLTWJGOWXKTLR-KRWDZBQOSA-N 0 3 272.392 3.198 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000295143990 372696645 /nfs/dbraw/zinc/69/66/45/372696645.db2.gz BZXBVRTXAITLGU-MRXNPFEDSA-N 0 3 289.419 3.234 20 30 CGEDHN C=CC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435131527 372736621 /nfs/dbraw/zinc/73/66/21/372736621.db2.gz ZQSQLURSVXEHAV-UHFFFAOYSA-N 0 3 257.337 3.068 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(F)cccc1F ZINC000435748901 372803678 /nfs/dbraw/zinc/80/36/78/372803678.db2.gz QLBMYWCHQLDSJD-NHYWBVRUSA-N 0 3 267.319 3.036 20 30 CGEDHN Cc1cc(CNCc2cccc(N(C)C)c2)ccc1C#N ZINC000443975456 373164385 /nfs/dbraw/zinc/16/43/85/373164385.db2.gz AEESFPKZOGSYHV-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN C#CCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296598017 373188615 /nfs/dbraw/zinc/18/86/15/373188615.db2.gz VKCRLCOWOPUKBT-KRWDZBQOSA-N 0 3 293.366 3.181 20 30 CGEDHN C#CCOc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296970250 373254934 /nfs/dbraw/zinc/25/49/34/373254934.db2.gz RLXNNPWRQMDBFP-MRXNPFEDSA-N 0 3 293.366 3.181 20 30 CGEDHN COc1ccc(CNC[C@H](C)Oc2ccccc2)cc1C#N ZINC000174393692 373306409 /nfs/dbraw/zinc/30/64/09/373306409.db2.gz RRKQKXBXPRBFOG-AWEZNQCLSA-N 0 3 296.370 3.124 20 30 CGEDHN N#Cc1ccc(CNCCC[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000344960747 217368218 /nfs/dbraw/zinc/36/82/18/217368218.db2.gz DZIDYMLIJQPZML-WMLDXEAASA-N 0 3 290.382 3.118 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446845397 373371598 /nfs/dbraw/zinc/37/15/98/373371598.db2.gz ZOUOACVLDCNPON-WDEREUQCSA-N 0 3 288.351 3.161 20 30 CGEDHN CC(C)(C)Oc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)n1 ZINC000447586458 373456666 /nfs/dbraw/zinc/45/66/66/373456666.db2.gz MMDKCPARWGMPNS-UONOGXRCSA-N 0 3 287.407 3.431 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2cccnc2)C2CC2)C1 ZINC000447588174 373458670 /nfs/dbraw/zinc/45/86/70/373458670.db2.gz SQNRLUXSXSMHIG-DAXOMENPSA-N 0 3 255.365 3.205 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CCCCO1 ZINC000299385504 373525743 /nfs/dbraw/zinc/52/57/43/373525743.db2.gz PJZFPJODPGTBFX-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN CN1CCCc2cc(CNCc3ccc(C#N)s3)ccc21 ZINC000176958638 373645065 /nfs/dbraw/zinc/64/50/65/373645065.db2.gz GDEYGZBIVOJLCJ-UHFFFAOYSA-N 0 3 297.427 3.292 20 30 CGEDHN Cn1cc(CN2CCC[C@@H](c3ccccc3)C2)cc1C#N ZINC000353644239 220218222 /nfs/dbraw/zinc/21/82/22/220218222.db2.gz NAGDHCCPLUENDV-QGZVFWFLSA-N 0 3 279.387 3.276 20 30 CGEDHN COc1cc(CN2CCC[C@H](C)[C@H]2C)ccc1C#N ZINC000300115248 373620208 /nfs/dbraw/zinc/62/02/08/373620208.db2.gz DPTBLVKRDZLCJP-QWHCGFSZSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNCc1ncc(C)s1)C(C)C ZINC000449073580 373659260 /nfs/dbraw/zinc/65/92/60/373659260.db2.gz JKSCHOYGNKZBJB-HNNXBMFYSA-N 0 3 293.480 3.240 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H](CCO)c1ccco1 ZINC000449249193 373674344 /nfs/dbraw/zinc/67/43/44/373674344.db2.gz LEIUDIOQYQFCHN-UONOGXRCSA-N 0 3 251.370 3.428 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000301160973 373679763 /nfs/dbraw/zinc/67/97/63/373679763.db2.gz TVGGBZFCIFUCKN-MRXNPFEDSA-N 0 3 297.377 3.282 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OCC)[C@@H](C)C2)c1 ZINC000449490735 373782435 /nfs/dbraw/zinc/78/24/35/373782435.db2.gz CQKLMKQLVZVBPW-YJBOKZPZSA-N 0 3 289.419 3.498 20 30 CGEDHN Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)nc1C#N ZINC000302716206 373939111 /nfs/dbraw/zinc/93/91/11/373939111.db2.gz NFBNMZMLBMWUEI-OAHLLOKOSA-N 0 3 296.374 3.104 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)CC(C)C)CC1 ZINC000449842360 373941944 /nfs/dbraw/zinc/94/19/44/373941944.db2.gz COQOMCWTDIBIST-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN CCN1CCC[C@@H]1CNc1c(Cl)cccc1C#N ZINC000450217381 374004617 /nfs/dbraw/zinc/00/46/17/374004617.db2.gz PRJNXUKDHYOMOH-GFCCVEGCSA-N 0 3 263.772 3.108 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000450229032 374010425 /nfs/dbraw/zinc/01/04/25/374010425.db2.gz VYNXEVFYTNFMGZ-DNVCBOLYSA-N 0 3 294.398 3.155 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCCCC1 ZINC000449937821 373976900 /nfs/dbraw/zinc/97/69/00/373976900.db2.gz DAZHYIFHBLBYEL-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN Cc1ccc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)nc1C#N ZINC000302826753 373977182 /nfs/dbraw/zinc/97/71/82/373977182.db2.gz NDYKOPKTCQGJBZ-QAPCUYQASA-N 0 3 292.386 3.119 20 30 CGEDHN C=CCC[C@H](CO)NCc1nc(-c2ccccc2)cs1 ZINC000320238384 374348893 /nfs/dbraw/zinc/34/88/93/374348893.db2.gz GDQXIAYUVMWJIM-CQSZACIVSA-N 0 3 288.416 3.227 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000320366767 374350921 /nfs/dbraw/zinc/35/09/21/374350921.db2.gz IEVMXKAFKYYKCK-PWSUYJOCSA-N 0 3 271.763 3.457 20 30 CGEDHN CCC[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000453261003 374377405 /nfs/dbraw/zinc/37/74/05/374377405.db2.gz YJQUMPQPUXONQY-YPMHNXCESA-N 0 3 264.344 3.163 20 30 CGEDHN C[C@](C#N)(NC(=O)CN1CC(C)(C)[C@H]2CCC[C@H]21)C1CC1 ZINC000328853418 374388172 /nfs/dbraw/zinc/38/81/72/374388172.db2.gz JEVWQHKONHMSOF-JJRVBVJISA-N 0 3 289.423 3.146 20 30 CGEDHN CO[C@@H]([C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000453348334 374438916 /nfs/dbraw/zinc/43/89/16/374438916.db2.gz GCFKBATXAFXYMK-GDLVEWKHSA-N 0 3 276.355 3.161 20 30 CGEDHN CC#CCCCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000185406248 374657840 /nfs/dbraw/zinc/65/78/40/374657840.db2.gz SHWRWCXHSDLDOW-QGZVFWFLSA-N 0 3 296.414 3.191 20 30 CGEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1c(C)noc1C ZINC000185872103 374757834 /nfs/dbraw/zinc/75/78/34/374757834.db2.gz YLGHMOPHDOVXDQ-IHRRRGAJSA-N 0 3 261.369 3.415 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000334469906 374777405 /nfs/dbraw/zinc/77/74/05/374777405.db2.gz ZZHWCHUFOBXTGQ-NSHDSACASA-N 0 3 297.333 3.082 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)CC(C)(C)C)CC1 ZINC000475413107 375133618 /nfs/dbraw/zinc/13/36/18/375133618.db2.gz BLDBSCTZCIFSBB-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000481269801 375164186 /nfs/dbraw/zinc/16/41/86/375164186.db2.gz PIDYBCQUQWXXGB-INIZCTEOSA-N 0 3 291.435 3.232 20 30 CGEDHN C=C(CC)CN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481604476 375165626 /nfs/dbraw/zinc/16/56/26/375165626.db2.gz LRQNETKXWJAUHY-UHFFFAOYSA-N 0 3 277.383 3.161 20 30 CGEDHN CC(C(=O)Nc1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000335224508 375242535 /nfs/dbraw/zinc/24/25/35/375242535.db2.gz YFKWWUFMHJZJFN-LURJTMIESA-N 0 3 276.645 3.349 20 30 CGEDHN N#Cc1cccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000335232039 375248086 /nfs/dbraw/zinc/24/80/86/375248086.db2.gz GCCCTSHOYXRPJD-GOSISDBHSA-N 0 3 296.414 3.339 20 30 CGEDHN C[C@H](NC[C@H]1CCSC1)c1ccc(C#N)cc1F ZINC000487548505 375251100 /nfs/dbraw/zinc/25/11/00/375251100.db2.gz CNZDDJJGUURFDU-CMPLNLGQSA-N 0 3 264.369 3.101 20 30 CGEDHN C#CCOc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000188280670 375191123 /nfs/dbraw/zinc/19/11/23/375191123.db2.gz DLXSDRBZQCKHEC-LJQANCHMSA-N 0 3 299.414 3.090 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000188550411 375230795 /nfs/dbraw/zinc/23/07/95/375230795.db2.gz BXUPQRBSASSKFN-LZLYRXPVSA-N 0 3 286.419 3.150 20 30 CGEDHN COCCN(Cc1ccc(F)cc1C#N)[C@H]1CCC[C@H]1C ZINC000487999178 375294382 /nfs/dbraw/zinc/29/43/82/375294382.db2.gz LEMRZAZPVHFCRH-DYVFJYSZSA-N 0 3 290.382 3.334 20 30 CGEDHN C=C(CC)CN(CCO)Cc1cccc(Br)c1 ZINC000488246944 375307162 /nfs/dbraw/zinc/30/71/62/375307162.db2.gz FIRDFADEENAGIF-UHFFFAOYSA-N 0 3 298.224 3.210 20 30 CGEDHN CC(C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000489181072 375314642 /nfs/dbraw/zinc/31/46/42/375314642.db2.gz SKZMADSFQSMEFF-KTAKPFMOSA-N 0 3 270.376 3.163 20 30 CGEDHN Cn1cc(CN[C@H]2CCCc3sccc32)cc1C#N ZINC000189592355 375419698 /nfs/dbraw/zinc/41/96/98/375419698.db2.gz UQAWQANHWXORRQ-AWEZNQCLSA-N 0 3 271.389 3.125 20 30 CGEDHN C=C(Cl)CN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000496473443 375536629 /nfs/dbraw/zinc/53/66/29/375536629.db2.gz VVNDGMAJUKGSRG-AWEZNQCLSA-N 0 3 288.819 3.022 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1Cl ZINC000494491032 375488688 /nfs/dbraw/zinc/48/86/88/375488688.db2.gz ZKQAADFYADVTKX-LSDHHAIUSA-N 0 3 295.810 3.154 20 30 CGEDHN N#CC(C(=O)c1ccccc1)c1cnc2ccccc2n1 ZINC000190970475 375557344 /nfs/dbraw/zinc/55/73/44/375557344.db2.gz YZIXVSPOZRHOBU-CYBMUJFWSA-N 0 3 273.295 3.120 20 30 CGEDHN CCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191240416 375600709 /nfs/dbraw/zinc/60/07/09/375600709.db2.gz ACXXCBLDSNPYIC-AWEZNQCLSA-N 0 3 292.386 3.352 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000336159189 375735387 /nfs/dbraw/zinc/73/53/87/375735387.db2.gz OSECVPXRDKSUEA-DZGCQCFKSA-N 0 3 290.794 3.070 20 30 CGEDHN C=C(C)CCN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000509674426 375781686 /nfs/dbraw/zinc/78/16/86/375781686.db2.gz XWTMPKIVFORYSH-UHFFFAOYSA-N 0 3 299.317 3.415 20 30 CGEDHN C=C(C)CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000509592559 375782222 /nfs/dbraw/zinc/78/22/22/375782222.db2.gz OPIJATOQFRHSJK-QGZVFWFLSA-N 0 3 259.393 3.286 20 30 CGEDHN Cc1ccc([C@@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000336375157 375783451 /nfs/dbraw/zinc/78/34/51/375783451.db2.gz NXIWWEYNRYVQJU-ZFWWWQNUSA-N 0 3 256.349 3.208 20 30 CGEDHN Cc1ccc([C@@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000336375155 375783675 /nfs/dbraw/zinc/78/36/75/375783675.db2.gz NXIWWEYNRYVQJU-HIFRSBDPSA-N 0 3 256.349 3.208 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@]3(CCN(C)C3)C2)CCCCC1 ZINC000336298569 375774031 /nfs/dbraw/zinc/77/40/31/375774031.db2.gz DSCJPAZRABCDQS-QGZVFWFLSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCCCCCN[C@H](C)c1nnc2ccccn21 ZINC000193551033 375893453 /nfs/dbraw/zinc/89/34/53/375893453.db2.gz JJZNITJLZAAXAN-CYBMUJFWSA-N 0 3 258.369 3.126 20 30 CGEDHN Cc1cccc(C2=CCN(C[C@H](O)CC3(C#N)CC3)CC2)c1 ZINC000528432767 375902382 /nfs/dbraw/zinc/90/23/82/375902382.db2.gz SAJZBXIKGQNIEN-GOSISDBHSA-N 0 3 296.414 3.139 20 30 CGEDHN C=CCOc1ccc(CN2CCC(CCOC)CC2)cc1 ZINC000529637394 375930947 /nfs/dbraw/zinc/93/09/47/375930947.db2.gz RUCIHRIFNRKINT-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](CC(C)C)c2cccs2)C1=O ZINC000337180203 376119955 /nfs/dbraw/zinc/11/99/55/376119955.db2.gz AJXKVUUWDPIJME-ZIAGYGMSSA-N 0 3 292.448 3.212 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)COC2)c1ccc(C#N)cc1 ZINC000338350141 376345437 /nfs/dbraw/zinc/34/54/37/376345437.db2.gz CYVQPGAXDLGISM-ZDUSSCGKSA-N 0 3 278.355 3.439 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCc1ccccc1C#N ZINC000233849178 376604453 /nfs/dbraw/zinc/60/44/53/376604453.db2.gz SNICUPFRMXCKAQ-CABCVRRESA-N 0 3 260.406 3.322 20 30 CGEDHN Cc1cccc([C@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000232315607 376580362 /nfs/dbraw/zinc/58/03/62/376580362.db2.gz WKNUQZKSCMZVHD-ZDUSSCGKSA-N 0 3 253.349 3.056 20 30 CGEDHN COCC1(C#N)CCN([C@H]2C=CCCCCC2)CC1 ZINC000339176378 376727787 /nfs/dbraw/zinc/72/77/87/376727787.db2.gz WCHLSSDHQCSZTN-HNNXBMFYSA-N 0 3 262.397 3.127 20 30 CGEDHN C=CCCOCC(=O)Nc1cccc(CN(CC)CC)c1 ZINC000146936975 542096436 /nfs/dbraw/zinc/09/64/36/542096436.db2.gz BNXJCNADIXDYGQ-UHFFFAOYSA-N 0 3 290.407 3.060 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCc2c1cc(F)cc2F ZINC000154817381 542119984 /nfs/dbraw/zinc/11/99/84/542119984.db2.gz NJSRVXYAXNSWGI-OAHLLOKOSA-N 0 3 267.319 3.134 20 30 CGEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000245425191 376812811 /nfs/dbraw/zinc/81/28/11/376812811.db2.gz SUAMKEGKXXDUFQ-UONOGXRCSA-N 0 3 287.407 3.253 20 30 CGEDHN N#Cc1cccc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246202075 376987290 /nfs/dbraw/zinc/98/72/90/376987290.db2.gz XCSYSJSTDRIBPL-CVEARBPZSA-N 0 3 272.417 3.418 20 30 CGEDHN CC[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCS1 ZINC000247707287 377235834 /nfs/dbraw/zinc/23/58/34/377235834.db2.gz ZFPDRUFZPYMVMI-DOMZBBRYSA-N 0 3 260.406 3.447 20 30 CGEDHN CCCN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000562383155 377305943 /nfs/dbraw/zinc/30/59/43/377305943.db2.gz JYJHEXMAZBHDOI-UHFFFAOYSA-N 0 3 265.360 3.365 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCNc1cccc(F)c1C#N ZINC000341096515 377394417 /nfs/dbraw/zinc/39/44/17/377394417.db2.gz HHUIQGMSABTITL-STQMWFEESA-N 0 3 275.371 3.372 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H](CO)c1ccccc1OC ZINC000563859860 377473797 /nfs/dbraw/zinc/47/37/97/377473797.db2.gz OAKOTCCIMIOIEC-GDBMZVCRSA-N 0 3 277.408 3.453 20 30 CGEDHN N#CCCC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000564208581 377475837 /nfs/dbraw/zinc/47/58/37/377475837.db2.gz KVIQIRHAKWMPHG-UHFFFAOYSA-N 0 3 294.402 3.388 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cc[nH]c2C2CCC2)nc(C)n1 ZINC000565070534 377483114 /nfs/dbraw/zinc/48/31/14/377483114.db2.gz VBQFCFLIWXAYOF-AWEZNQCLSA-N 0 3 294.358 3.179 20 30 CGEDHN Cn1ccnc1[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000565155283 377483348 /nfs/dbraw/zinc/48/33/48/377483348.db2.gz DABOPCQFCUSQPG-HNNXBMFYSA-N 0 3 286.423 3.074 20 30 CGEDHN COCc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000093492374 249037155 /nfs/dbraw/zinc/03/71/55/249037155.db2.gz KFGXPNIAMPKCDP-UHFFFAOYSA-N 0 3 272.373 3.056 20 30 CGEDHN Cc1cccc(OCCNCc2cc(C#N)cs2)c1 ZINC000093492148 249037499 /nfs/dbraw/zinc/03/74/99/249037499.db2.gz ZDUHSTLCKYQRSN-UHFFFAOYSA-N 0 3 272.373 3.097 20 30 CGEDHN N#Cc1csc(CNCCc2cc(F)cc(F)c2)c1 ZINC000093492583 249037928 /nfs/dbraw/zinc/03/79/28/249037928.db2.gz CMRZFQKNWIOCHO-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000253089176 377674392 /nfs/dbraw/zinc/67/43/92/377674392.db2.gz COAYNZSHMBDPIL-MGPQQGTHSA-N 0 3 272.392 3.433 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(CC#N)cc2)C[C@@H]1n1ccnc1 ZINC000342756727 377774960 /nfs/dbraw/zinc/77/49/60/377774960.db2.gz VHQOTHIHPGTEQO-QAPCUYQASA-N 0 3 294.402 3.032 20 30 CGEDHN N#Cc1ccc(CNCCOc2cccc(F)c2)c(F)c1 ZINC000343343023 377957498 /nfs/dbraw/zinc/95/74/98/377957498.db2.gz BBPDCNVWYGNQQG-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN C=CCCN(C)Cc1ccc(OCC=C)c(OC)c1 ZINC000343438288 377979493 /nfs/dbraw/zinc/97/94/93/377979493.db2.gz FBMJKMKKWJORDD-UHFFFAOYSA-N 0 3 261.365 3.268 20 30 CGEDHN Cn1cccc1[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000264544390 377988803 /nfs/dbraw/zinc/98/88/03/377988803.db2.gz ISNPKFJYZOJXET-SFHVURJKSA-N 0 3 295.386 3.265 20 30 CGEDHN CC(C)CCO[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343581467 378028236 /nfs/dbraw/zinc/02/82/36/378028236.db2.gz QHMWFSGJSRJZGX-GOSISDBHSA-N 0 3 286.419 3.390 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccccc2)nc1 ZINC000578586201 378083260 /nfs/dbraw/zinc/08/32/60/378083260.db2.gz MCMZXSWTMYLLMH-SFHVURJKSA-N 0 3 277.371 3.160 20 30 CGEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000578063303 378035055 /nfs/dbraw/zinc/03/50/55/378035055.db2.gz KBZDBFFOLKCTKK-RWMBFGLXSA-N 0 3 273.336 3.246 20 30 CGEDHN C=CCC[C@@H](O)CN(CCOC)[C@H](C)c1ccccc1 ZINC000268532189 378070435 /nfs/dbraw/zinc/07/04/35/378070435.db2.gz IVCUJUCAQOSDJT-NVXWUHKLSA-N 0 3 277.408 3.023 20 30 CGEDHN CC1(C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000578993175 378120367 /nfs/dbraw/zinc/12/03/67/378120367.db2.gz SIGAUQZTNCMPSD-LSDHHAIUSA-N 0 3 299.374 3.477 20 30 CGEDHN C=C(CN[C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000268862641 378133548 /nfs/dbraw/zinc/13/35/48/378133548.db2.gz VUJGUUIKTXSZEG-MRXNPFEDSA-N 0 3 267.376 3.101 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccccc1Cl ZINC000268690536 378091388 /nfs/dbraw/zinc/09/13/88/378091388.db2.gz ZQUOATXEDAOGAF-VXGBXAGGSA-N 0 3 253.773 3.318 20 30 CGEDHN CCCC(O)(CCC)CNCc1ccc(C#N)cc1F ZINC000269404628 378217630 /nfs/dbraw/zinc/21/76/30/378217630.db2.gz HGZVOZNVFWCOMC-UHFFFAOYSA-N 0 3 278.371 3.118 20 30 CGEDHN Cc1noc(C)c1C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000269436620 378222265 /nfs/dbraw/zinc/22/22/65/378222265.db2.gz RGJUHWAZYDVUDJ-SNVBAGLBSA-N 0 3 287.338 3.023 20 30 CGEDHN COc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1O ZINC000269595716 378241187 /nfs/dbraw/zinc/24/11/87/378241187.db2.gz GGVJQNVHQQJEEX-UHFFFAOYSA-N 0 3 294.354 3.051 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000345778205 378367876 /nfs/dbraw/zinc/36/78/76/378367876.db2.gz LEZIRRVTYGHNSN-NSHDSACASA-N 0 3 292.329 3.052 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000345790871 378370409 /nfs/dbraw/zinc/37/04/09/378370409.db2.gz HAKITIJJPIDTTL-GHMZBOCLSA-N 0 3 285.372 3.147 20 30 CGEDHN CCC(CC)[C@@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271934302 378522583 /nfs/dbraw/zinc/52/25/83/378522583.db2.gz JLHKOWYBAZBVEX-ZBEGNZNMSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@H](NCCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346199922 378501996 /nfs/dbraw/zinc/50/19/96/378501996.db2.gz QIMQKYKFNIUYQI-QMMMGPOBSA-N 0 3 260.234 3.300 20 30 CGEDHN Cc1nn2c(CNCCCCC#N)c(C(C)C)nc2s1 ZINC000346695697 378678300 /nfs/dbraw/zinc/67/83/00/378678300.db2.gz FSCBPAOLJSUVPR-UHFFFAOYSA-N 0 3 291.424 3.006 20 30 CGEDHN CN1CCC(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000346819854 378692927 /nfs/dbraw/zinc/69/29/27/378692927.db2.gz YAPOIFKPJSANLH-UHFFFAOYSA-N 0 3 299.418 3.158 20 30 CGEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@@H]1CCCO1 ZINC000346628022 378651874 /nfs/dbraw/zinc/65/18/74/378651874.db2.gz IQZVEWJTYRBBEQ-BPUTZDHNSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCCCN(C)CC(=O)N(CC(C)C)CC(C)C ZINC000346969456 378702272 /nfs/dbraw/zinc/70/22/72/378702272.db2.gz XCCFHGNVXXGHFC-UHFFFAOYSA-N 0 3 268.445 3.025 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)C[C@H](C)C1 ZINC000347279942 378714449 /nfs/dbraw/zinc/71/44/49/378714449.db2.gz NGXMOEUWHUATDT-KGLIPLIRSA-N 0 3 272.392 3.435 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3c2cccc3F)o1 ZINC000266204986 190240047 /nfs/dbraw/zinc/24/00/47/190240047.db2.gz MKEGZKYRQVWGIU-OAHLLOKOSA-N 0 3 256.280 3.067 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COCC(C)C ZINC000348207464 378840296 /nfs/dbraw/zinc/84/02/96/378840296.db2.gz WQNIHYXUPRQUQI-GOSISDBHSA-N 0 3 291.435 3.098 20 30 CGEDHN CN1CC=C(CNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000274757440 378889370 /nfs/dbraw/zinc/88/93/70/378889370.db2.gz QSSAIDSDXOYGRC-UHFFFAOYSA-N 0 3 295.308 3.251 20 30 CGEDHN C=C(C)CCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274876118 378910710 /nfs/dbraw/zinc/91/07/10/378910710.db2.gz LYTMBZMYLFCTGA-MRXNPFEDSA-N 0 3 273.355 3.204 20 30 CGEDHN C[C@](O)(CNCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000276647995 378973811 /nfs/dbraw/zinc/97/38/11/378973811.db2.gz SNGFDQIOPUCMOX-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348417827 378949253 /nfs/dbraw/zinc/94/92/53/378949253.db2.gz FRQZYLJFZDGXQK-WMLDXEAASA-N 0 3 295.386 3.102 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc2nccnc2c1 ZINC000639112093 379036440 /nfs/dbraw/zinc/03/64/40/379036440.db2.gz NNEZUOTVVCMZIE-AWEZNQCLSA-N 0 3 253.349 3.170 20 30 CGEDHN C=CCCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639120283 379044186 /nfs/dbraw/zinc/04/41/86/379044186.db2.gz VCSSSUSSADCLCM-UHFFFAOYSA-N 0 3 287.329 3.294 20 30 CGEDHN C[C@H]1C[C@H](c2ccccc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000348837909 379077882 /nfs/dbraw/zinc/07/78/82/379077882.db2.gz LBGVTNNAXJSRLB-KBXCAEBGSA-N 0 3 279.387 3.480 20 30 CGEDHN CCCOC1(CNCc2cc(C#N)n(C)c2)CCCCC1 ZINC000349132334 379163329 /nfs/dbraw/zinc/16/33/29/379163329.db2.gz RQMBOVBDHJBRPI-UHFFFAOYSA-N 0 3 289.423 3.116 20 30 CGEDHN C=C(C)CN1CCC(Nc2nccc3occc32)CC1 ZINC000266390451 190254157 /nfs/dbraw/zinc/25/41/57/190254157.db2.gz NZJIQFNYRATWCI-UHFFFAOYSA-N 0 3 271.364 3.280 20 30 CGEDHN CC[C@@H](N[C@H](CO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278791622 194157138 /nfs/dbraw/zinc/15/71/38/194157138.db2.gz QLTYVSVZRSSZDI-QZTJIDSGSA-N 0 3 280.371 3.333 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000639346947 379303187 /nfs/dbraw/zinc/30/31/87/379303187.db2.gz GKDCSBFISIQWLA-NSHDSACASA-N 0 3 252.308 3.417 20 30 CGEDHN N#Cc1ccc(OCCN2CC[C@H](c3ccco3)C2)cc1 ZINC000374002019 379358363 /nfs/dbraw/zinc/35/83/63/379358363.db2.gz JNCXPIAPUZEINC-HNNXBMFYSA-N 0 3 282.343 3.020 20 30 CGEDHN C=CCN[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374853004 379480111 /nfs/dbraw/zinc/48/01/11/379480111.db2.gz DMAFFEAZZMVWBH-ZFWWWQNUSA-N 0 3 284.325 3.015 20 30 CGEDHN Cc1cc(C#N)cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000376401286 379549989 /nfs/dbraw/zinc/54/99/89/379549989.db2.gz AAPDNMJVJBXLKP-SJLPKXTDSA-N 0 3 292.386 3.119 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000375860063 379514424 /nfs/dbraw/zinc/51/44/24/379514424.db2.gz GLVWWVRLCNTWPJ-INIZCTEOSA-N 0 3 283.375 3.142 20 30 CGEDHN CCCCCCCC(=O)NC[C@@H]1CCCCN1CC ZINC000731873227 572431171 /nfs/dbraw/zinc/43/11/71/572431171.db2.gz KVIUNTZXBCHKGN-HNNXBMFYSA-N 0 3 268.445 3.338 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000280489164 379715526 /nfs/dbraw/zinc/71/55/26/379715526.db2.gz MDEUXLCYAXUXBV-MRXNPFEDSA-N 0 3 276.355 3.088 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000351583670 379729192 /nfs/dbraw/zinc/72/91/92/379729192.db2.gz VAYHEHAEWHWMLG-ZDUSSCGKSA-N 0 3 289.350 3.421 20 30 CGEDHN C=C(C)CCN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280884624 379809825 /nfs/dbraw/zinc/80/98/25/379809825.db2.gz POBVAFXGUHAYPX-HOCLYGCPSA-N 0 3 295.448 3.025 20 30 CGEDHN N#CCc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000352448278 379818435 /nfs/dbraw/zinc/81/84/35/379818435.db2.gz QVBZBLYCJFOTCI-ZWKOTPCHSA-N 0 3 296.414 3.286 20 30 CGEDHN C=CC[C@H](CC)NCc1cn2cc(Cl)ccc2n1 ZINC000281265607 379825435 /nfs/dbraw/zinc/82/54/35/379825435.db2.gz HEDUGAHJHBASLL-LBPRGKRZSA-N 0 3 263.772 3.432 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCOC1 ZINC000389040246 379893565 /nfs/dbraw/zinc/89/35/65/379893565.db2.gz QLWJMFXNDTZPMK-FZMZJTMJSA-N 0 3 278.783 3.116 20 30 CGEDHN Cc1nc(C)c(CNCc2ccc(CC#N)cc2)s1 ZINC000399031105 379932835 /nfs/dbraw/zinc/93/28/35/379932835.db2.gz LTMYWQBFFTVAOZ-UHFFFAOYSA-N 0 3 271.389 3.116 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(SC)o1 ZINC000641752667 380078412 /nfs/dbraw/zinc/07/84/12/380078412.db2.gz LFVBAPKGPIBGIA-BXUZGUMPSA-N 0 3 267.394 3.072 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccnc1C ZINC000352935525 380047716 /nfs/dbraw/zinc/04/77/16/380047716.db2.gz ZJZJVYZQCPKOHV-UHFFFAOYSA-N 0 3 256.349 3.214 20 30 CGEDHN Cc1cc(CNCC2(C(F)(F)F)CC2)ccc1C#N ZINC000353052581 380095229 /nfs/dbraw/zinc/09/52/29/380095229.db2.gz KQRSUOBUHLDDSS-UHFFFAOYSA-N 0 3 268.282 3.299 20 30 CGEDHN CN(CCC1(C#N)CCCCC1)C[C@H]1CCCCO1 ZINC000411192169 380134664 /nfs/dbraw/zinc/13/46/64/380134664.db2.gz QPRUCWXUPPAASZ-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN COc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353424719 380206140 /nfs/dbraw/zinc/20/61/40/380206140.db2.gz HYIBTOFLACUEHK-SFHVURJKSA-N 0 3 278.355 3.344 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](CCO)c1ccccc1)CC2 ZINC000353250135 380188469 /nfs/dbraw/zinc/18/84/69/380188469.db2.gz FFPSQBAYVXNVCQ-RBUKOAKNSA-N 0 3 292.382 3.259 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(OC)cc1C ZINC000414088130 380188756 /nfs/dbraw/zinc/18/87/56/380188756.db2.gz IWGHJWWYNNQNFR-CQSZACIVSA-N 0 3 263.381 3.247 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](CCO)c1ccccc1)CC2 ZINC000353250120 380189518 /nfs/dbraw/zinc/18/95/18/380189518.db2.gz FFPSQBAYVXNVCQ-OALUTQOASA-N 0 3 292.382 3.259 20 30 CGEDHN CCCN1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000353974156 380259165 /nfs/dbraw/zinc/25/91/65/380259165.db2.gz RNYOAYRBWLTERX-DZGCQCFKSA-N 0 3 289.398 3.222 20 30 CGEDHN C=CCSCCNCc1ccnn1-c1ccccc1C ZINC000354335209 380404509 /nfs/dbraw/zinc/40/45/09/380404509.db2.gz QNAFUNANQZFXDG-UHFFFAOYSA-N 0 3 287.432 3.190 20 30 CGEDHN CC[C@H]1CCCCN1CCNc1nc(C)cc(C)c1C#N ZINC000354642510 380511001 /nfs/dbraw/zinc/51/10/01/380511001.db2.gz ZRFZFSYSUNENSM-HNNXBMFYSA-N 0 3 286.423 3.247 20 30 CGEDHN C=C(C)[C@H](CO)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000645023054 380567154 /nfs/dbraw/zinc/56/71/54/380567154.db2.gz YFQAJGRJVOXZGG-ZFWWWQNUSA-N 0 3 265.784 3.066 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)CC(C)C ZINC000417364383 380608859 /nfs/dbraw/zinc/60/88/59/380608859.db2.gz LVOOSDKXVNQNMQ-GXTWGEPZSA-N 0 3 278.371 3.409 20 30 CGEDHN COc1cc(OCCN(C)Cc2ccccc2)ccc1C#N ZINC000418974746 380755589 /nfs/dbraw/zinc/75/55/89/380755589.db2.gz PXRGBEDFILMGOO-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=CCCC1(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000355790352 380779323 /nfs/dbraw/zinc/77/93/23/380779323.db2.gz HOAOSTLJMZEAOA-GASCZTMLSA-N 0 3 278.440 3.112 20 30 CGEDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCC(C)(C)C#N)C1 ZINC000421024305 380871441 /nfs/dbraw/zinc/87/14/41/380871441.db2.gz PXKPZXWMUVYVBQ-KBPBESRZSA-N 0 3 294.439 3.226 20 30 CGEDHN CC[C@@H]1CCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279205713 194331594 /nfs/dbraw/zinc/33/15/94/194331594.db2.gz GNIPZHVMFOFVHW-HIFRSBDPSA-N 0 3 296.374 3.277 20 30 CGEDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCC(C)(C)C#N ZINC000420929273 380862220 /nfs/dbraw/zinc/86/22/20/380862220.db2.gz QHDSCGOONLYXMX-KGLIPLIRSA-N 0 3 294.439 3.368 20 30 CGEDHN C[C@H]1CCCN(Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000357716873 381263113 /nfs/dbraw/zinc/26/31/13/381263113.db2.gz PEMKIXRWZYSIHH-KBPBESRZSA-N 0 3 267.376 3.431 20 30 CGEDHN CC(C#N)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000357832399 381285066 /nfs/dbraw/zinc/28/50/66/381285066.db2.gz PVYOOLCXHIMVHT-NSHDSACASA-N 0 3 290.413 3.498 20 30 CGEDHN C=C(CC)CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000358737976 381325937 /nfs/dbraw/zinc/32/59/37/381325937.db2.gz QOJFEFLCGYRJMG-MRXNPFEDSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(CC)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358500838 381314144 /nfs/dbraw/zinc/31/41/44/381314144.db2.gz QMYBPQBQPXHIPS-UHFFFAOYSA-N 0 3 290.363 3.404 20 30 CGEDHN Cc1ccncc1CN(C)CCCOc1cccc(C#N)c1 ZINC000361410376 381737647 /nfs/dbraw/zinc/73/76/47/381737647.db2.gz MWWYDWFKGHPGOO-UHFFFAOYSA-N 0 3 295.386 3.163 20 30 CGEDHN C=CCCC[C@H](C)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000361648891 381857850 /nfs/dbraw/zinc/85/78/50/381857850.db2.gz VINUEFSLZJZICU-XHSDSOJGSA-N 0 3 267.413 3.001 20 30 CGEDHN CC#CCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000362141280 381886602 /nfs/dbraw/zinc/88/66/02/381886602.db2.gz YRZCHUMQTUGWDS-GFCCVEGCSA-N 0 3 272.323 3.170 20 30 CGEDHN C=CC[C@H](C(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000361775362 381868395 /nfs/dbraw/zinc/86/83/95/381868395.db2.gz FUSAFYBNVWUNQI-ROUUACIJSA-N 0 3 298.430 3.041 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc(CC)cs2)CC1 ZINC000362350507 381952055 /nfs/dbraw/zinc/95/20/55/381952055.db2.gz GJYLVVDIDSFADB-UHFFFAOYSA-N 0 3 265.426 3.158 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@@H](c2ccncn2)C1 ZINC000368998978 382384857 /nfs/dbraw/zinc/38/48/57/382384857.db2.gz CPSGJMWOBMJHGW-OAHLLOKOSA-N 0 3 286.423 3.376 20 30 CGEDHN C=CC[C@H](C)N[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000282260311 542385460 /nfs/dbraw/zinc/38/54/60/542385460.db2.gz JWXCCUBMXWANIZ-XJKSGUPXSA-N 0 3 255.365 3.064 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(OCCC)cc1 ZINC000574857705 335052519 /nfs/dbraw/zinc/05/25/19/335052519.db2.gz NKEOMWVLLONUAB-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000347106898 533118463 /nfs/dbraw/zinc/11/84/63/533118463.db2.gz JIRAVGUSCFWTBY-NHYWBVRUSA-N 0 3 274.339 3.333 20 30 CGEDHN C[C@H]1[C@@H](Nc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000288367628 197060043 /nfs/dbraw/zinc/06/00/43/197060043.db2.gz YGAYZGQSRHLETJ-YOEHRIQHSA-N 0 3 292.386 3.028 20 30 CGEDHN C=CC[C@H](CO)CN[C@H]1CCSc2c(F)cccc21 ZINC000341883035 542495617 /nfs/dbraw/zinc/49/56/17/542495617.db2.gz UCBUUGJJIGIVFQ-FZMZJTMJSA-N 0 3 281.396 3.137 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccnn1-c1ccccc1 ZINC000343475493 542500736 /nfs/dbraw/zinc/50/07/36/542500736.db2.gz TXDIYAUWTAATRI-OAHLLOKOSA-N 0 3 285.391 3.116 20 30 CGEDHN C[C@@H](NCCN1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358571630 533395398 /nfs/dbraw/zinc/39/53/98/533395398.db2.gz OWECOJXHNNMJBZ-UONOGXRCSA-N 0 3 289.398 3.080 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](CC)c2cccc(Cl)c2)C1=O ZINC000282129031 392282966 /nfs/dbraw/zinc/28/29/66/392282966.db2.gz YNHQBBFBKSYWAC-CABCVRRESA-N 0 3 292.810 3.168 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OC)C[C@H]2C)c1 ZINC000282234610 392286461 /nfs/dbraw/zinc/28/64/61/392286461.db2.gz ISSVINZBRXKTQX-ZBFHGGJFSA-N 0 3 275.392 3.251 20 30 CGEDHN CC(C)N(CC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000108364864 392340469 /nfs/dbraw/zinc/34/04/69/392340469.db2.gz VLHFVDCRZKMFRO-UHFFFAOYSA-N 0 3 285.391 3.150 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H]1C ZINC000245460266 131084858 /nfs/dbraw/zinc/08/48/58/131084858.db2.gz VRQRIDPAKIMTBS-UONOGXRCSA-N 0 3 292.448 3.136 20 30 CGEDHN C=CCC[C@@H](NC[C@]1(N(C)C)CCSC1)c1ccco1 ZINC000286190872 392379143 /nfs/dbraw/zinc/37/91/43/392379143.db2.gz RHSHRSFSRLHYDX-GDBMZVCRSA-N 0 3 294.464 3.314 20 30 CGEDHN C=CCC[C@@H](NCC(C)(C)CCO)c1ccco1 ZINC000286378111 392381269 /nfs/dbraw/zinc/38/12/69/392381269.db2.gz ZWYHUXOFURWJIQ-CYBMUJFWSA-N 0 3 251.370 3.285 20 30 CGEDHN C=CCC[C@@H](NCCNC(=O)c1ccccc1)c1ccco1 ZINC000286358640 392381795 /nfs/dbraw/zinc/38/17/95/392381795.db2.gz ZCCQEAYISWSFKL-MRXNPFEDSA-N 0 3 298.386 3.307 20 30 CGEDHN C=C[C@@H](CO)N[C@@H]1CCCc2c3ccccc3sc21 ZINC000289941013 392436935 /nfs/dbraw/zinc/43/69/35/392436935.db2.gz VXUQYLBHHSDZLU-SMDDNHRTSA-N 0 3 273.401 3.415 20 30 CGEDHN C=CCN(CC=C)CCCOc1cccc(C#N)c1 ZINC000155546472 392542127 /nfs/dbraw/zinc/54/21/27/392542127.db2.gz QXIUDBDXHKTITH-UHFFFAOYSA-N 0 3 256.349 3.001 20 30 CGEDHN CC(C)[C@]1(CO)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000292928977 392515231 /nfs/dbraw/zinc/51/52/31/392515231.db2.gz CIMQZIHGEURBPF-MAUKXSAKSA-N 0 3 286.419 3.350 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1CCCCO1 ZINC000299385507 392578845 /nfs/dbraw/zinc/57/88/45/392578845.db2.gz PJZFPJODPGTBFX-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN Cc1ccc(NC[C@@H](c2ccc(F)cc2)N(C)C)nc1C#N ZINC000302618762 392617294 /nfs/dbraw/zinc/61/72/94/392617294.db2.gz GMTRMEMVUFWWAU-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN C[C@@H]1CSCCN1Cc1ccccc1C(C)(C)C#N ZINC000178538541 392680946 /nfs/dbraw/zinc/68/09/46/392680946.db2.gz VMNJOTXCIRMKLS-CYBMUJFWSA-N 0 3 274.433 3.425 20 30 CGEDHN CC(C)(C#N)CCCN(Cc1ccccn1)C1CC1 ZINC000179292588 392696177 /nfs/dbraw/zinc/69/61/77/392696177.db2.gz OQMUERZNNSDHGX-UHFFFAOYSA-N 0 3 257.381 3.376 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](OCC(C)C)C1 ZINC000186256995 392780612 /nfs/dbraw/zinc/78/06/12/392780612.db2.gz VRQRRLHCGZUKDY-QGZVFWFLSA-N 0 3 272.392 3.114 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000186309314 392781974 /nfs/dbraw/zinc/78/19/74/392781974.db2.gz KOHSJNJWRUVOQN-RDTXWAMCSA-N 0 3 294.402 3.146 20 30 CGEDHN N#Cc1ccc(CNCC2(c3ccccn3)CCC2)s1 ZINC000375756425 392814986 /nfs/dbraw/zinc/81/49/86/392814986.db2.gz WACOKLSGNGJXAJ-UHFFFAOYSA-N 0 3 283.400 3.226 20 30 CGEDHN COc1ccc(C)cc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000339063656 392943918 /nfs/dbraw/zinc/94/39/18/392943918.db2.gz DGEWQWHHGROBIN-IHRRRGAJSA-N 0 3 258.365 3.347 20 30 CGEDHN N#CCCOCCN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000339017580 392941694 /nfs/dbraw/zinc/94/16/94/392941694.db2.gz PXQKRIWAAXNCGY-LJQANCHMSA-N 0 3 298.430 3.287 20 30 CGEDHN CCC[C@]1(COC)CCCN1Cc1ccc(C#N)cc1F ZINC000194941260 392947989 /nfs/dbraw/zinc/94/79/89/392947989.db2.gz YDPSLGQJDXZKRO-QGZVFWFLSA-N 0 3 290.382 3.478 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000342819097 393009196 /nfs/dbraw/zinc/00/91/96/393009196.db2.gz XRYFNQAVBWIERP-MSOLQXFVSA-N 0 3 287.403 3.395 20 30 CGEDHN Cc1ccccc1C[C@H]1CCCN1CC1(C#N)CC1 ZINC000343306589 393025054 /nfs/dbraw/zinc/02/50/54/393025054.db2.gz VSOBURFBQYYQEX-MRXNPFEDSA-N 0 3 254.377 3.306 20 30 CGEDHN CCc1cccnc1[C@@H](C)NCCc1cccc(C#N)c1 ZINC000467440378 393100088 /nfs/dbraw/zinc/10/00/88/393100088.db2.gz SBQMXSSZEHDJBO-CQSZACIVSA-N 0 3 279.387 3.409 20 30 CGEDHN Cc1cc(NC(=O)C(C)C(F)(F)F)c(C#N)cc1N(C)C ZINC000415696702 393180324 /nfs/dbraw/zinc/18/03/24/393180324.db2.gz UEERAUMCGJGNJS-SECBINFHSA-N 0 3 299.296 3.070 20 30 CGEDHN C[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000271616977 393253407 /nfs/dbraw/zinc/25/34/07/393253407.db2.gz BHXVLAKXTZCJBM-IUODEOHRSA-N 0 3 297.320 3.214 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000352833254 393211862 /nfs/dbraw/zinc/21/18/62/393211862.db2.gz HROSBTFLVSISEZ-RKDXNWHRSA-N 0 3 289.326 3.225 20 30 CGEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000470953806 393268469 /nfs/dbraw/zinc/26/84/69/393268469.db2.gz SNUNMYVMMRSEQU-BXUZGUMPSA-N 0 3 298.308 3.210 20 30 CGEDHN CCc1cccc(F)c1CNCCOc1ccc(C#N)cc1 ZINC000474800870 393348922 /nfs/dbraw/zinc/34/89/22/393348922.db2.gz JESZATMKCKNVQB-UHFFFAOYSA-N 0 3 298.361 3.428 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC=C(c2ccc(OCC)cc2)CC1 ZINC000649406344 393412964 /nfs/dbraw/zinc/41/29/64/393412964.db2.gz ANWZRQABKACEQF-GOSISDBHSA-N 0 3 287.403 3.111 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429594562 393490629 /nfs/dbraw/zinc/49/06/29/393490629.db2.gz YHLLETDLWDFMID-DOMZBBRYSA-N 0 3 258.365 3.187 20 30 CGEDHN COc1ccc2c(c1)C[C@@H](C)N(CCCC#N)[C@H]2C ZINC000359539338 393550255 /nfs/dbraw/zinc/55/02/55/393550255.db2.gz ORLNHPBGPHUWMP-OLZOCXBDSA-N 0 3 258.365 3.307 20 30 CGEDHN Cc1nc([C@@H](C)NCCc2cccc(C#N)c2)cs1 ZINC000361003402 393636875 /nfs/dbraw/zinc/63/68/75/393636875.db2.gz OFMBLMFHISWYOM-LLVKDONJSA-N 0 3 271.389 3.217 20 30 CGEDHN CO[C@](C)(CN[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000361007939 393638888 /nfs/dbraw/zinc/63/88/88/393638888.db2.gz CEKLTWPDCPSTST-MEDUHNTESA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCOc1cccc(CN(C(C)C)[C@@H]2CCOC2)c1 ZINC000361054039 393657693 /nfs/dbraw/zinc/65/76/93/393657693.db2.gz SUWMTKVXJAMBIH-MRXNPFEDSA-N 0 3 275.392 3.251 20 30 CGEDHN C#C[C@H](NC[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000491670894 393697642 /nfs/dbraw/zinc/69/76/42/393697642.db2.gz RDYPGMZSYWDVOV-WFASDCNBSA-N 0 3 263.768 3.031 20 30 CGEDHN Cc1cc(CNCCOc2ccccc2F)ccc1C#N ZINC000443959457 393778286 /nfs/dbraw/zinc/77/82/86/393778286.db2.gz BMYGTENUAJEOES-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN C=CCCCC[C@H](C)NCC(=O)Nc1ccc(F)cc1 ZINC000449218171 393877008 /nfs/dbraw/zinc/87/70/08/393877008.db2.gz FYWOTQDWNRODKH-ZDUSSCGKSA-N 0 3 278.371 3.489 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)o1 ZINC000449620934 393923735 /nfs/dbraw/zinc/92/37/35/393923735.db2.gz GKZFMNJRDODRSF-BXUZGUMPSA-N 0 3 288.372 3.223 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(OCC)cc1C ZINC000668054904 542963516 /nfs/dbraw/zinc/96/35/16/542963516.db2.gz KUQOMQDBFHAMAU-UHFFFAOYSA-N 0 3 263.381 3.028 20 30 CGEDHN C=CCCC1(CNCc2cc(COC)on2)CCCC1 ZINC000668464930 543016485 /nfs/dbraw/zinc/01/64/85/543016485.db2.gz QKDKVFHAAHTQAD-UHFFFAOYSA-N 0 3 278.396 3.437 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000672576996 543217521 /nfs/dbraw/zinc/21/75/21/543217521.db2.gz ABCQRTMBFPIONC-TZMCWYRMSA-N 0 3 275.392 3.465 20 30 CGEDHN C=CCC[C@H](NCCC(=O)N[C@H](C)CC)c1ccco1 ZINC000286307945 397671513 /nfs/dbraw/zinc/67/15/13/397671513.db2.gz WZUKSANGPBEZOQ-KGLIPLIRSA-N 0 3 278.396 3.181 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C(CC)(CC)CC)CC1 ZINC000675454437 543341666 /nfs/dbraw/zinc/34/16/66/543341666.db2.gz KKMHJCMAEFRFOX-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN COCC#CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000677819044 543467764 /nfs/dbraw/zinc/46/77/64/543467764.db2.gz PDEGHIHWFAXEMY-IBGZPJMESA-N 0 3 279.383 3.210 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC000678765051 543554128 /nfs/dbraw/zinc/55/41/28/543554128.db2.gz BKWZDJFDYMXRBH-BBRMVZONSA-N 0 3 295.448 3.013 20 30 CGEDHN COCC#CCN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000678729200 543551671 /nfs/dbraw/zinc/55/16/71/543551671.db2.gz LTSJNOOEIDCSLW-LLVKDONJSA-N 0 3 271.282 3.006 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000678791805 543559199 /nfs/dbraw/zinc/55/91/99/543559199.db2.gz DUDVRYXITCAVJI-KSSFIOAISA-N 0 3 282.387 3.336 20 30 CGEDHN COCC#CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000678899450 543570555 /nfs/dbraw/zinc/57/05/55/543570555.db2.gz QCVNABIREKYOGT-APHBMKBZSA-N 0 3 277.795 3.277 20 30 CGEDHN CC(C)[C@H](CO)CN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000554085183 289255981 /nfs/dbraw/zinc/25/59/81/289255981.db2.gz AEXKRXCFYJJBMW-AAEUAGOBSA-N 0 3 280.799 3.127 20 30 CGEDHN C[C@@H](Cc1ccsc1)NCc1ccc(C#N)cc1F ZINC000049182447 286919468 /nfs/dbraw/zinc/91/94/68/286919468.db2.gz MYOGGNSLXRSGLO-NSHDSACASA-N 0 3 274.364 3.480 20 30 CGEDHN CC1(C)CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093660286 165332297 /nfs/dbraw/zinc/33/22/97/165332297.db2.gz CPDXCUJSGDXDLV-UHFFFAOYSA-N 0 3 282.391 3.218 20 30 CGEDHN N#Cc1cc(NC[C@H](c2cccs2)N2CCCC2)ccn1 ZINC000285769639 196393406 /nfs/dbraw/zinc/39/34/06/196393406.db2.gz VZSFTVOOLHUBIO-OAHLLOKOSA-N 0 3 298.415 3.264 20 30 CGEDHN C=CCOc1ccccc1CNCCc1nc(C)cs1 ZINC000057399110 416483692 /nfs/dbraw/zinc/48/36/92/416483692.db2.gz YGVKFGGSXULFOW-UHFFFAOYSA-N 0 3 288.416 3.349 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1cccc(F)c1 ZINC000188277798 260076022 /nfs/dbraw/zinc/07/60/22/260076022.db2.gz APJBBVVIEBSMQN-HNNXBMFYSA-N 0 3 251.345 3.459 20 30 CGEDHN CC[C@H](CN(CC)CC#CCOC)c1ccccc1 ZINC000681481333 543789815 /nfs/dbraw/zinc/78/98/15/543789815.db2.gz MZEGGIWAYURWIU-MRXNPFEDSA-N 0 3 259.393 3.152 20 30 CGEDHN C=CCOCCN[C@@H]1CCSc2ccc(OC)cc21 ZINC000682435796 543846064 /nfs/dbraw/zinc/84/60/64/543846064.db2.gz HRBDTAOQFBYKNM-CQSZACIVSA-N 0 3 279.405 3.024 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000736675282 572804600 /nfs/dbraw/zinc/80/46/00/572804600.db2.gz ZGRXCJARTMRLDN-UWVGGRQHSA-N 0 3 258.346 3.238 20 30 CGEDHN Cc1nc(-c2ccc([C@H](C)NC(=O)C(C)C#N)cc2)cs1 ZINC000347082920 226042302 /nfs/dbraw/zinc/04/23/02/226042302.db2.gz YOOSPWWJEPJMME-MNOVXSKESA-N 0 3 299.399 3.455 20 30 CGEDHN CC(C#N)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000347099673 226047807 /nfs/dbraw/zinc/04/78/07/226047807.db2.gz DXLXWLLOQAGLON-VQCLRJIVSA-N 0 3 270.376 3.236 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCCCCC)cc1 ZINC000658335450 418940216 /nfs/dbraw/zinc/94/02/16/418940216.db2.gz YKYBZYZGMRFPMG-GOEBONIOSA-N 0 3 277.408 3.453 20 30 CGEDHN C=CCC1(NC(=O)Nc2cc(C)cc(CN)c2)CCCC1 ZINC000659026000 418958025 /nfs/dbraw/zinc/95/80/25/418958025.db2.gz XIFLMRNLRPDNLN-UHFFFAOYSA-N 0 3 287.407 3.464 20 30 CGEDHN C=CCCn1cc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)nn1 ZINC000653559673 419047820 /nfs/dbraw/zinc/04/78/20/419047820.db2.gz NQJXSTDIYDBBAE-YCPHGPKFSA-N 0 3 274.412 3.007 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@@H]2[C@@H](C)CCC)nn1 ZINC000653570898 419051671 /nfs/dbraw/zinc/05/16/71/419051671.db2.gz JAXMKJTTZJNAKH-GOEBONIOSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CN[C@@H](CC)C2CCCCC2)nn1 ZINC000653608203 419058253 /nfs/dbraw/zinc/05/82/53/419058253.db2.gz ITYLSJYQOKUDAL-INIZCTEOSA-N 0 3 276.428 3.303 20 30 CGEDHN OCC1(N(CC#Cc2cccc(Cl)c2)C2CC2)CCC1 ZINC000660773211 419193882 /nfs/dbraw/zinc/19/38/82/419193882.db2.gz SGUQIKICIZMRQZ-UHFFFAOYSA-N 0 3 289.806 3.071 20 30 CGEDHN C=CCCCCCNC(=O)Nc1cccc(CN)c1 ZINC000655908037 419127071 /nfs/dbraw/zinc/12/70/71/419127071.db2.gz RDIWGKULZHHFLS-UHFFFAOYSA-N 0 3 261.369 3.013 20 30 CGEDHN C=CCN(Cc1ccc(-n2ccnc2)cc1C)[C@@H](C)COC ZINC000661240130 419243267 /nfs/dbraw/zinc/24/32/67/419243267.db2.gz MBLGVXWXDYQHPJ-INIZCTEOSA-N 0 3 299.418 3.204 20 30 CGEDHN C=CCCn1cc(CNCCc2ccc(C(C)C)cc2)nn1 ZINC000657291571 419243472 /nfs/dbraw/zinc/24/34/72/419243472.db2.gz XPMYOAFNWIFNQV-UHFFFAOYSA-N 0 3 298.434 3.310 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cn3ccccc3n2)C1 ZINC000661378358 419255231 /nfs/dbraw/zinc/25/52/31/419255231.db2.gz DNPCTWGWSSTLTL-AWEZNQCLSA-N 0 3 255.365 3.122 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cn3ccccc3n2)C1 ZINC000661378359 419256031 /nfs/dbraw/zinc/25/60/31/419256031.db2.gz DNPCTWGWSSTLTL-CQSZACIVSA-N 0 3 255.365 3.122 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000661387606 419256453 /nfs/dbraw/zinc/25/64/53/419256453.db2.gz YZAJNBIVQZENJP-AWEZNQCLSA-N 0 3 261.413 3.426 20 30 CGEDHN C=CCCn1cc(CNCC2CCC(CC)CC2)nn1 ZINC000657347184 419256455 /nfs/dbraw/zinc/25/64/55/419256455.db2.gz NUAMJPXIHWKQSG-UHFFFAOYSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCCn1cc(CNC(C)(C)Cc2ccccc2C)nn1 ZINC000657351686 419257239 /nfs/dbraw/zinc/25/72/39/419257239.db2.gz SGZLKVKHPQWVIX-UHFFFAOYSA-N 0 3 298.434 3.274 20 30 CGEDHN C=CCCn1cc(CNCC2(CC)CCCCC2)nn1 ZINC000657435666 419277680 /nfs/dbraw/zinc/27/76/80/419277680.db2.gz NNRXSYPHTAIURS-UHFFFAOYSA-N 0 3 276.428 3.304 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000657554992 419302981 /nfs/dbraw/zinc/30/29/81/419302981.db2.gz RYEQUFUEKZCXBJ-ZYHUDNBSSA-N 0 3 285.313 3.330 20 30 CGEDHN C=CCCNCc1ccccc1OCC(F)(F)F ZINC000657582990 419309279 /nfs/dbraw/zinc/30/92/79/419309279.db2.gz RDGGHYQWLWTLAG-UHFFFAOYSA-N 0 3 259.271 3.293 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CCCC2=O)CC1 ZINC000661957693 419315209 /nfs/dbraw/zinc/31/52/09/419315209.db2.gz LBRCFIGFIUZBTH-CQSZACIVSA-N 0 3 282.387 3.454 20 30 CGEDHN COC1(C(F)(F)F)CCN(CC(C)(C)CCC#N)CC1 ZINC000418088190 228023173 /nfs/dbraw/zinc/02/31/73/228023173.db2.gz GAERFPIGBVIOJO-UHFFFAOYSA-N 0 3 292.345 3.360 20 30 CGEDHN CC(C#N)C(=O)NCCCCc1ccc(Cl)s1 ZINC000356033057 228094125 /nfs/dbraw/zinc/09/41/25/228094125.db2.gz DUVVEJCHHRMKQE-VIFPVBQESA-N 0 3 270.785 3.000 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccccc1 ZINC000662079316 419333623 /nfs/dbraw/zinc/33/36/23/419333623.db2.gz JRUHGJLGMVBCEH-CWRNSKLLSA-N 0 3 270.376 3.197 20 30 CGEDHN Fc1ccc(C#CCN2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000662312327 419389954 /nfs/dbraw/zinc/38/99/54/419389954.db2.gz YBXGGCFSMGKWKI-KDURUIRLSA-N 0 3 299.389 3.070 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncnn1C(C)(C)C ZINC000658004603 419490036 /nfs/dbraw/zinc/49/00/36/419490036.db2.gz RCWHEMLURSDXJG-KBPBESRZSA-N 0 3 276.428 3.258 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cc2cnccc2o1 ZINC000657926866 419445239 /nfs/dbraw/zinc/44/52/39/419445239.db2.gz MYYMMMZOFBVCKC-GFCCVEGCSA-N 0 3 260.337 3.071 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cc2cnccc2o1 ZINC000657926870 419445605 /nfs/dbraw/zinc/44/56/05/419445605.db2.gz MYYMMMZOFBVCKC-LBPRGKRZSA-N 0 3 260.337 3.071 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCn2ccnc21 ZINC000658061057 419534898 /nfs/dbraw/zinc/53/48/98/419534898.db2.gz SCWXCELPGGNDHT-RBSFLKMASA-N 0 3 259.397 3.443 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2c1CCNC2 ZINC000662843702 419496326 /nfs/dbraw/zinc/49/63/26/419496326.db2.gz UWGBOCCMSOFDKW-KBXCAEBGSA-N 0 3 298.430 3.197 20 30 CGEDHN C=CCC[C@@H](NCCO[C@H]1CC1(F)F)c1ccco1 ZINC000658169017 419635761 /nfs/dbraw/zinc/63/57/61/419635761.db2.gz KVJVRKJSSSCRHN-YPMHNXCESA-N 0 3 271.307 3.301 20 30 CGEDHN C=CCC[C@H](N[C@H]1C[C@H](O)C12CCC2)c1ccco1 ZINC000658251996 419705973 /nfs/dbraw/zinc/70/59/73/419705973.db2.gz PRNXFWBOHDNLAO-QEJZJMRPSA-N 0 3 261.365 3.180 20 30 CGEDHN C=C(C)CN1CCC(Nc2nccc3c(N)cccc32)CC1 ZINC000663568344 419650613 /nfs/dbraw/zinc/65/06/13/419650613.db2.gz TZTYUXJXDGEUPF-UHFFFAOYSA-N 0 3 296.418 3.269 20 30 CGEDHN CN(CCCSCC#N)Cc1ccc(F)c(F)c1 ZINC000080626968 260317432 /nfs/dbraw/zinc/31/74/32/260317432.db2.gz XKLURKQWYRLSEY-UHFFFAOYSA-N 0 3 270.348 3.043 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccccc1OCC ZINC000090450718 260359023 /nfs/dbraw/zinc/35/90/23/260359023.db2.gz VMDCRZVVEQPDQA-CQSZACIVSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCC1(CNCc2cn(C(C)(C)C)nn2)CCCC1 ZINC000449607571 260760605 /nfs/dbraw/zinc/76/06/05/260760605.db2.gz YIJZBZMGAWQVDM-UHFFFAOYSA-N 0 3 276.428 3.259 20 30 CGEDHN CN(C)Cc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000192868375 262211989 /nfs/dbraw/zinc/21/19/89/262211989.db2.gz VNZAFXOUZSLGEA-CJNGLKHVSA-N 0 3 289.398 3.059 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000054182565 262260115 /nfs/dbraw/zinc/26/01/15/262260115.db2.gz FCGJJXXCPUIFKI-JSGCOSHPSA-N 0 3 274.364 3.018 20 30 CGEDHN C=CCN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364897143 262264116 /nfs/dbraw/zinc/26/41/16/262264116.db2.gz RWGRLOFMDDHION-UHFFFAOYSA-N 0 3 266.772 3.012 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000248869605 262694042 /nfs/dbraw/zinc/69/40/42/262694042.db2.gz QLJAPRSOIYEMFO-UGFHNGPFSA-N 0 3 278.783 3.045 20 30 CGEDHN CC(C)(C)c1ccncc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000414227549 262828755 /nfs/dbraw/zinc/82/87/55/262828755.db2.gz KVNRCVQDVJGBHG-OCCSQVGLSA-N 0 3 257.381 3.161 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(OCC#N)cc1 ZINC000272324540 263003129 /nfs/dbraw/zinc/00/31/29/263003129.db2.gz UZRBAEQKPOEALS-UHFFFAOYSA-N 0 3 296.370 3.413 20 30 CGEDHN Cc1ccccc1OCCCN1CCC(C)(C#N)CC1 ZINC000272638969 263007820 /nfs/dbraw/zinc/00/78/20/263007820.db2.gz XHTALPIDQUIDAU-UHFFFAOYSA-N 0 3 272.392 3.390 20 30 CGEDHN N#CCCCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000273309204 263015267 /nfs/dbraw/zinc/01/52/67/263015267.db2.gz WDDQVLWWLQLWOD-ZDUSSCGKSA-N 0 3 264.756 3.447 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000274583149 263026915 /nfs/dbraw/zinc/02/69/15/263026915.db2.gz CUOZPXUJKTUZKF-QEJZJMRPSA-N 0 3 288.391 3.437 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000274583157 263026945 /nfs/dbraw/zinc/02/69/45/263026945.db2.gz CUOZPXUJKTUZKF-YUELXQCFSA-N 0 3 288.391 3.437 20 30 CGEDHN CN(CCOc1cccc(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000278525506 263048593 /nfs/dbraw/zinc/04/85/93/263048593.db2.gz DEMRRKQZUUTQHO-GXTWGEPZSA-N 0 3 278.783 3.343 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000279313543 263054635 /nfs/dbraw/zinc/05/46/35/263054635.db2.gz NKRCYLFMSHMHIF-GOSISDBHSA-N 0 3 286.419 3.489 20 30 CGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCCCCC2)cc1 ZINC000279571980 263056261 /nfs/dbraw/zinc/05/62/61/263056261.db2.gz YSBASGDVIYPVDE-QGZVFWFLSA-N 0 3 295.386 3.033 20 30 CGEDHN N#CC1(CCCN2CCc3ccsc3C2)CCOCC1 ZINC000281146771 263066737 /nfs/dbraw/zinc/06/67/37/263066737.db2.gz BCYQGTIFZOVULN-UHFFFAOYSA-N 0 3 290.432 3.207 20 30 CGEDHN Cc1cnc([C@@H](C)NCCCC2(C#N)CCOCC2)s1 ZINC000281330520 263068284 /nfs/dbraw/zinc/06/82/84/263068284.db2.gz LWPIYJVUNUDJSZ-CYBMUJFWSA-N 0 3 293.436 3.203 20 30 CGEDHN Cc1occc1CN(C)CCCC1(C#N)CCOCC1 ZINC000282041391 263073905 /nfs/dbraw/zinc/07/39/05/263073905.db2.gz QXSUQMHDMXJCCV-UHFFFAOYSA-N 0 3 276.380 3.120 20 30 CGEDHN Cc1cc(Cl)nc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000282759364 263078540 /nfs/dbraw/zinc/07/85/40/263078540.db2.gz OFZKMEFWOWXYQZ-VXGBXAGGSA-N 0 3 263.772 3.215 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@H](C#N)C2)Cc2ccccc2O1 ZINC000293539342 263142913 /nfs/dbraw/zinc/14/29/13/263142913.db2.gz KBRBWKDCBLWFBK-ZFWWWQNUSA-N 0 3 270.376 3.352 20 30 CGEDHN Cc1cnc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)s1 ZINC000293682093 263146766 /nfs/dbraw/zinc/14/67/66/263146766.db2.gz APGNBRRRWVMVIQ-JSGCOSHPSA-N 0 3 275.421 3.323 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000295120395 263172698 /nfs/dbraw/zinc/17/26/98/263172698.db2.gz WMHWKTYQFUATCC-JQWIXIFHSA-N 0 3 293.754 3.420 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(F)(c3ccccn3)CC2)C1 ZINC000295265626 263175427 /nfs/dbraw/zinc/17/54/27/263175427.db2.gz HISYZPQOLNMWRS-ZIAGYGMSSA-N 0 3 273.355 3.034 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(F)(c3ccccn3)CC2)C1 ZINC000295265625 263175528 /nfs/dbraw/zinc/17/55/28/263175528.db2.gz HISYZPQOLNMWRS-UONOGXRCSA-N 0 3 273.355 3.034 20 30 CGEDHN C[C@@H](CCC#N)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000297919811 263212129 /nfs/dbraw/zinc/21/21/29/263212129.db2.gz QIJPJMQNPQEKRG-WMLDXEAASA-N 0 3 272.392 3.124 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@H](Nc2ccccc2)C1 ZINC000298044877 263214490 /nfs/dbraw/zinc/21/44/90/263214490.db2.gz DEOSNNQTFXTTPB-HOCLYGCPSA-N 0 3 257.381 3.255 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000298861723 263227004 /nfs/dbraw/zinc/22/70/04/263227004.db2.gz JBFQFZDDJRFYNM-KBPBESRZSA-N 0 3 268.364 3.215 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(Cc2cscn2)CC1 ZINC000340946532 263313317 /nfs/dbraw/zinc/31/33/17/263313317.db2.gz GXMGUEPLFXWRAF-AWEZNQCLSA-N 0 3 279.453 3.006 20 30 CGEDHN C=CC[C@H](CO)CN[C@H]1CCSc2ccc(F)cc21 ZINC000341882184 263362604 /nfs/dbraw/zinc/36/26/04/263362604.db2.gz GOHHYGGWSCDQPD-FZMZJTMJSA-N 0 3 281.396 3.137 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccccc1Br ZINC000341885447 263363398 /nfs/dbraw/zinc/36/33/98/263363398.db2.gz XGGDEDLMVJDJQD-RYUDHWBXSA-N 0 3 298.224 3.284 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC=C(c2ccccc2)C1 ZINC000341995023 263373905 /nfs/dbraw/zinc/37/39/05/263373905.db2.gz QZCCMAORNIKADP-QGZVFWFLSA-N 0 3 257.377 3.103 20 30 CGEDHN COCC1(C#N)CCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000341991764 263382346 /nfs/dbraw/zinc/38/23/46/263382346.db2.gz LYZYLDCNCPYWET-CYBMUJFWSA-N 0 3 286.366 3.064 20 30 CGEDHN C=CCN(CCCn1ccnc1C)Cc1ccc(OC)cc1 ZINC000127310802 264248369 /nfs/dbraw/zinc/24/83/69/264248369.db2.gz JRAIRQNVTKYLPP-UHFFFAOYSA-N 0 3 299.418 3.278 20 30 CGEDHN C=C[C@H](CC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000127397237 264255685 /nfs/dbraw/zinc/25/56/85/264255685.db2.gz MIQIUNSYJBTLDS-OAHLLOKOSA-N 0 3 298.430 3.089 20 30 CGEDHN C=CCCC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000128648985 264299517 /nfs/dbraw/zinc/29/95/17/264299517.db2.gz RXDWGZSZFATPDB-UHFFFAOYSA-N 0 3 272.392 3.496 20 30 CGEDHN C=CCSCCN[C@H](C)c1cccnc1Cl ZINC000129354128 264319028 /nfs/dbraw/zinc/31/90/28/264319028.db2.gz NSJXFDJDWAYAID-SNVBAGLBSA-N 0 3 256.802 3.305 20 30 CGEDHN C=CCC[C@H](NCC(=O)Nc1cc(C)no1)c1ccccc1 ZINC000180035268 264389900 /nfs/dbraw/zinc/38/99/00/264389900.db2.gz PGOAQEHEIXWBLT-HNNXBMFYSA-N 0 3 299.374 3.219 20 30 CGEDHN C=CCC[C@@H](NCCS(=O)(=O)CCC)c1ccccc1 ZINC000180050219 264395136 /nfs/dbraw/zinc/39/51/36/264395136.db2.gz NDSBWXMCTURNHQ-MRXNPFEDSA-N 0 3 295.448 3.108 20 30 CGEDHN CCOc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442785264 264978451 /nfs/dbraw/zinc/97/84/51/264978451.db2.gz RKKRFDSMUKCYKK-UKRRQHHQSA-N 0 3 258.365 3.176 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000334917312 265080427 /nfs/dbraw/zinc/08/04/27/265080427.db2.gz WLOZSMAINJTNMT-UWVGGRQHSA-N 0 3 295.180 3.128 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](n2cc(C)cn2)C1 ZINC000356537432 266132901 /nfs/dbraw/zinc/13/29/01/266132901.db2.gz ZBTQBFYKUSJWGV-QGZVFWFLSA-N 0 3 297.402 3.203 20 30 CGEDHN N#CC1(CNC2CCC(C(F)(F)F)CC2)CCC1 ZINC000418143591 267365090 /nfs/dbraw/zinc/36/50/90/267365090.db2.gz QRDZRPZIOMAEOM-UHFFFAOYSA-N 0 3 260.303 3.391 20 30 CGEDHN C#CCCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000179658650 275379193 /nfs/dbraw/zinc/37/91/93/275379193.db2.gz VBOCCTAIBAHIIQ-SFHVURJKSA-N 0 3 298.430 3.133 20 30 CGEDHN CCN(CC(C)C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000153739840 276088041 /nfs/dbraw/zinc/08/80/41/276088041.db2.gz YHMOXLGJMCKNMN-LBPRGKRZSA-N 0 3 291.395 3.073 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000294449381 276880564 /nfs/dbraw/zinc/88/05/64/276880564.db2.gz OTUWOXFIQCMIOR-INIZCTEOSA-N 0 3 286.419 3.152 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(C#N)cc1 ZINC000036991958 278382928 /nfs/dbraw/zinc/38/29/28/278382928.db2.gz IQZPCJVXPZCQOE-WBMJQRKESA-N 0 3 280.375 3.020 20 30 CGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCCCO1 ZINC000353665355 279520354 /nfs/dbraw/zinc/52/03/54/279520354.db2.gz YGVMXUSNSDLOBK-JCURWCKSSA-N 0 3 270.376 3.093 20 30 CGEDHN Cc1ccc2c(c1)[C@H](NCc1cc(C#N)n(C)c1)[C@H](C)C2 ZINC000191576781 281120654 /nfs/dbraw/zinc/12/06/54/281120654.db2.gz QQIRXPAPBXCSKJ-FZKQIMNGSA-N 0 3 279.387 3.228 20 30 CGEDHN CC[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000281542482 281175077 /nfs/dbraw/zinc/17/50/77/281175077.db2.gz WZUMXOLCNJUTCE-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@H](NCCN(C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000538508770 288575711 /nfs/dbraw/zinc/57/57/11/288575711.db2.gz CVLMCXKAWLYARU-AWEZNQCLSA-N 0 3 297.377 3.484 20 30 CGEDHN Cc1ccc2c(c1)nc(CNCC(C)(C)CCC#N)n2C ZINC000187585832 327858116 /nfs/dbraw/zinc/85/81/16/327858116.db2.gz BIFWYWQWXVMHER-UHFFFAOYSA-N 0 3 284.407 3.301 20 30 CGEDHN C=C(C)CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193876416 329062294 /nfs/dbraw/zinc/06/22/94/329062294.db2.gz BOMHLERKCVPEPY-UHFFFAOYSA-N 0 3 267.319 3.384 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccn(Cc2ccccc2)n1 ZINC000283932832 328137486 /nfs/dbraw/zinc/13/74/86/328137486.db2.gz JGBXHESGBAFJSF-UHFFFAOYSA-N 0 3 296.418 3.351 20 30 CGEDHN CCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000274243298 328210259 /nfs/dbraw/zinc/21/02/59/328210259.db2.gz WVXGUSFGJSZIGK-GJZGRUSLSA-N 0 3 258.365 3.257 20 30 CGEDHN CCOc1ccccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000274636371 328212326 /nfs/dbraw/zinc/21/23/26/328212326.db2.gz PZTFTWAQCFDEJO-MELADBBJSA-N 0 3 258.365 3.428 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(-n2cccn2)cc1 ZINC000274640226 328212558 /nfs/dbraw/zinc/21/25/58/328212558.db2.gz QYRYUYMLDBSAJO-SQWLQELKSA-N 0 3 280.375 3.215 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cccc3c2OCCCO3)C1 ZINC000274170494 328208823 /nfs/dbraw/zinc/20/88/23/328208823.db2.gz BLLYEUWFVPNBST-DZGCQCFKSA-N 0 3 286.375 3.020 20 30 CGEDHN COc1cccc(C2(N[C@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000278637236 328228940 /nfs/dbraw/zinc/22/89/40/328228940.db2.gz HICVKGIBCDOXIS-HIFRSBDPSA-N 0 3 270.376 3.356 20 30 CGEDHN CN(c1ccccc1)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278690692 328229492 /nfs/dbraw/zinc/22/94/92/328229492.db2.gz SEZXIMJSHOWIQU-YJBOKZPZSA-N 0 3 283.419 3.279 20 30 CGEDHN CC(C)Oc1ccc([C@H](C)NCCOCCC#N)cc1 ZINC000293751191 328277538 /nfs/dbraw/zinc/27/75/38/328277538.db2.gz IWVWPUCVXWFUNV-AWEZNQCLSA-N 0 3 276.380 3.055 20 30 CGEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(=O)[nH]n1 ZINC000340443315 328278102 /nfs/dbraw/zinc/27/81/02/328278102.db2.gz GGHXWLROZBBURV-CJNGLKHVSA-N 0 3 296.374 3.268 20 30 CGEDHN CCN(CCC1CC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567052011 322148417 /nfs/dbraw/zinc/14/84/17/322148417.db2.gz JSQQTDNXNWVLMY-UHFFFAOYSA-N 0 3 273.336 3.088 20 30 CGEDHN CC(C)C[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567990039 322186717 /nfs/dbraw/zinc/18/67/17/322186717.db2.gz YILSLCVOTRIFLZ-CQSZACIVSA-N 0 3 287.363 3.334 20 30 CGEDHN C[C@H](NCCN1CC[C@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235643 322268555 /nfs/dbraw/zinc/26/85/55/322268555.db2.gz LJVSWECJLVNXFR-STQMWFEESA-N 0 3 291.826 3.204 20 30 CGEDHN C[C@@H](NCc1ccc2cnn(C)c2c1)c1cccc(C#N)c1 ZINC000571820228 322308605 /nfs/dbraw/zinc/30/86/05/322308605.db2.gz HEARAQSAWYIDCJ-CYBMUJFWSA-N 0 3 290.370 3.296 20 30 CGEDHN C[C@H](NCCc1cccc(C#N)c1)c1cn2ccccc2n1 ZINC000571825504 322308932 /nfs/dbraw/zinc/30/89/32/322308932.db2.gz RQKVTPHZUKKSGP-AWEZNQCLSA-N 0 3 290.370 3.099 20 30 CGEDHN N#Cc1cccc(CCNc2ccnc3ccccc32)c1 ZINC000572436345 322337084 /nfs/dbraw/zinc/33/70/84/322337084.db2.gz SNRZTMCYIMNAQB-UHFFFAOYSA-N 0 3 273.339 3.183 20 30 CGEDHN CN(CCN(C)C1CC1)c1cccc(C(F)F)c1C#N ZINC000573103964 322370501 /nfs/dbraw/zinc/37/05/01/322370501.db2.gz IDEGLXVVGWWQCJ-UHFFFAOYSA-N 0 3 279.334 3.026 20 30 CGEDHN C=CCn1cc(CNC[C@@H](CC(C)C)c2ccccc2)nn1 ZINC000425348011 328469226 /nfs/dbraw/zinc/46/92/26/328469226.db2.gz DSXIUGQVCGPHCE-QGZVFWFLSA-N 0 3 298.434 3.384 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000558431688 327094116 /nfs/dbraw/zinc/09/41/16/327094116.db2.gz NGSFBNHTMVQMDO-ZGUYJTEBSA-N 0 3 296.414 3.454 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090883510 327101651 /nfs/dbraw/zinc/10/16/51/327101651.db2.gz YDAFLRULIDCFHK-CYBMUJFWSA-N 0 3 278.352 3.147 20 30 CGEDHN CN(CCCSCC#N)Cc1cccc(Cl)c1 ZINC000074981384 327122668 /nfs/dbraw/zinc/12/26/68/327122668.db2.gz BBVCWRYAXNWQRG-UHFFFAOYSA-N 0 3 268.813 3.419 20 30 CGEDHN CC#CCN[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558901750 327130466 /nfs/dbraw/zinc/13/04/66/327130466.db2.gz KRTKAEZDRAQSPS-DLBZAZTESA-N 0 3 292.373 3.102 20 30 CGEDHN C=C1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000518678102 327193367 /nfs/dbraw/zinc/19/33/67/327193367.db2.gz KJHRWKXFGLGINZ-KRWDZBQOSA-N 0 3 297.398 3.232 20 30 CGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC1CCCC1 ZINC000150875822 327394640 /nfs/dbraw/zinc/39/46/40/327394640.db2.gz FNACTRGLLMYJRV-AWEZNQCLSA-N 0 3 266.429 3.112 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(C2CCCC2)c1 ZINC000570199663 327575895 /nfs/dbraw/zinc/57/58/95/327575895.db2.gz PIACZHHYBRJKTK-KCQAQPDRSA-N 0 3 272.396 3.341 20 30 CGEDHN CCCN(C(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000582497246 329101298 /nfs/dbraw/zinc/10/12/98/329101298.db2.gz QHMQIXJTXNFRQG-INIZCTEOSA-N 0 3 272.392 3.406 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181296982 329230449 /nfs/dbraw/zinc/23/04/49/329230449.db2.gz BRFAYQIMZHHNSR-CQSZACIVSA-N 0 3 250.345 3.423 20 30 CGEDHN C[C@H](C1CC1)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000583063093 329309572 /nfs/dbraw/zinc/30/95/72/329309572.db2.gz QQBQIBIGQMZKIL-SNVBAGLBSA-N 0 3 280.318 3.390 20 30 CGEDHN CC1(C#N)CCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000334444910 329553069 /nfs/dbraw/zinc/55/30/69/329553069.db2.gz IDTPEFIWJFLQMB-GFCCVEGCSA-N 0 3 256.340 3.438 20 30 CGEDHN COc1ccc(OC)c([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248924792 329902585 /nfs/dbraw/zinc/90/25/85/329902585.db2.gz XAQDMRGLSHJVHD-MJBXVCDLSA-N 0 3 288.391 3.437 20 30 CGEDHN C=C(C)[C@H](CC(=O)Nc1ccc(CN(C)C)cc1)OCC ZINC000270042068 330072349 /nfs/dbraw/zinc/07/23/49/330072349.db2.gz OSDGEDCZTPPNLM-INIZCTEOSA-N 0 3 290.407 3.058 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1-c1cccs1 ZINC000424061186 330218803 /nfs/dbraw/zinc/21/88/03/330218803.db2.gz RGQUIAPNTPHJPU-CYBMUJFWSA-N 0 3 299.399 3.375 20 30 CGEDHN CC(C)Sc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424116416 330243497 /nfs/dbraw/zinc/24/34/97/330243497.db2.gz BMCZITIEKFESPE-LBPRGKRZSA-N 0 3 291.420 3.147 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000106035180 330331311 /nfs/dbraw/zinc/33/13/11/330331311.db2.gz VQSPFFRNGJEBJX-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2CCC(C)C)nn1 ZINC000424290949 330334715 /nfs/dbraw/zinc/33/47/15/330334715.db2.gz CUMHXUATEYRERJ-GDBMZVCRSA-N 0 3 276.428 3.159 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000424293672 330335482 /nfs/dbraw/zinc/33/54/82/330335482.db2.gz JCRUEGBCBXFHTG-HRCADAONSA-N 0 3 289.423 3.212 20 30 CGEDHN C=CCn1cc(CN[C@H](C)[C@@H](C)C2CCCCC2)nn1 ZINC000424296500 330336107 /nfs/dbraw/zinc/33/61/07/330336107.db2.gz OTTUYMMORMVEHF-ZIAGYGMSSA-N 0 3 276.428 3.159 20 30 CGEDHN COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)c1OC ZINC000424318242 330339746 /nfs/dbraw/zinc/33/97/46/330339746.db2.gz CVOUQYWAKJZUDI-HZSPNIEDSA-N 0 3 288.391 3.355 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(-c2ccccc2)nn1C ZINC000424320240 330340052 /nfs/dbraw/zinc/34/00/52/330340052.db2.gz FVYOLGZDLURALC-OFQRWUPVSA-N 0 3 294.402 3.430 20 30 CGEDHN C[C@H](N(C)CC(=O)N(C)C1(C#N)CCCCC1)C(C)(C)C ZINC000533249230 330355106 /nfs/dbraw/zinc/35/51/06/330355106.db2.gz BHEWYQGXEMHHAH-AWEZNQCLSA-N 0 3 293.455 3.038 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000090451223 330392500 /nfs/dbraw/zinc/39/25/00/330392500.db2.gz BAVARUZUMCDOSI-OAHLLOKOSA-N 0 3 279.355 3.222 20 30 CGEDHN N#CCC1(CNCc2cnc(C3CCC3)s2)CC1 ZINC000430033254 330557608 /nfs/dbraw/zinc/55/76/08/330557608.db2.gz FTYREPZABLEKCZ-UHFFFAOYSA-N 0 3 261.394 3.194 20 30 CGEDHN C=C(C)CNCc1ccc(F)c(Br)c1 ZINC000153387795 330643005 /nfs/dbraw/zinc/64/30/05/330643005.db2.gz CCHWGCZAVPNXRP-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN C=CCNCc1ccc(N(C)c2ccccc2)nc1 ZINC000435788616 330663034 /nfs/dbraw/zinc/66/30/34/330663034.db2.gz URXHDCGNVJGKEK-UHFFFAOYSA-N 0 3 253.349 3.125 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc(Cl)cc2)C1 ZINC000442785130 330783179 /nfs/dbraw/zinc/78/31/79/330783179.db2.gz WUYODFFRWFCJLH-YPMHNXCESA-N 0 3 264.756 3.001 20 30 CGEDHN CCc1cccc2c1OCC[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000442871962 330789255 /nfs/dbraw/zinc/78/92/55/330789255.db2.gz XZAHMDJMSFLECE-XPKDYRNWSA-N 0 3 270.376 3.354 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc2O1 ZINC000449422813 330924397 /nfs/dbraw/zinc/92/43/97/330924397.db2.gz FTEJLOWBBUPZKA-UKTARXLSSA-N 0 3 256.349 3.181 20 30 CGEDHN CO[C@@H]1CCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000449526408 330933900 /nfs/dbraw/zinc/93/39/00/330933900.db2.gz ZZALSYVLPWHVAF-IAGOWNOFSA-N 0 3 288.391 3.026 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)s1 ZINC000449548691 330935771 /nfs/dbraw/zinc/93/57/71/330935771.db2.gz PSXOKIZPGVUKNM-MNOVXSKESA-N 0 3 257.786 3.225 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2COCC2(C)C)cc1Cl ZINC000449626761 330940814 /nfs/dbraw/zinc/94/08/14/330940814.db2.gz XRTWOYXUNIWOJV-OAHLLOKOSA-N 0 3 295.810 3.419 20 30 CGEDHN C=CCN(CCOC)CCc1ccc(Cl)cc1 ZINC000450838893 331002073 /nfs/dbraw/zinc/00/20/73/331002073.db2.gz QMJJOORBZFWMRN-UHFFFAOYSA-N 0 3 253.773 3.017 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000451670532 331038244 /nfs/dbraw/zinc/03/82/44/331038244.db2.gz DFGNQOVUYCAWLG-CHWSQXEVSA-N 0 3 278.396 3.037 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000451670858 331038294 /nfs/dbraw/zinc/03/82/94/331038294.db2.gz DLCILWOAFFYXNL-KBPBESRZSA-N 0 3 292.423 3.427 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(C)C)nc1C ZINC000451681444 331038922 /nfs/dbraw/zinc/03/89/22/331038922.db2.gz MLNQDTVWWMBSET-SJORKVTESA-N 0 3 274.408 3.337 20 30 CGEDHN Cc1cc(F)ccc1[C@@H]1CCCN1CCOCCC#N ZINC000451985441 331049310 /nfs/dbraw/zinc/04/93/10/331049310.db2.gz IFMIHINSAFUDFM-INIZCTEOSA-N 0 3 276.355 3.201 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2ccc(OC)cc21 ZINC000163523506 331051412 /nfs/dbraw/zinc/05/14/12/331051412.db2.gz QGYJNYJNDDYROU-KRWDZBQOSA-N 0 3 275.392 3.255 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000453340866 331119037 /nfs/dbraw/zinc/11/90/37/331119037.db2.gz CTDMBUUDQTYCPT-CFVMTHIKSA-N 0 3 291.391 3.006 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000453356745 331121777 /nfs/dbraw/zinc/12/17/77/331121777.db2.gz NISUGMANHOCYDD-MWLCHTKSSA-N 0 3 273.298 3.082 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C(C)C)C2)CCCC1 ZINC000457090233 331212019 /nfs/dbraw/zinc/21/20/19/331212019.db2.gz LVUPUDZZFDJYNS-HNNXBMFYSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCC1(NC(=O)NC2CCN(CC)CC2)CCCCC1 ZINC000457495606 331224855 /nfs/dbraw/zinc/22/48/55/331224855.db2.gz YZYVIBVHBCNVRF-UHFFFAOYSA-N 0 3 293.455 3.049 20 30 CGEDHN C=C(C)C[N@@H+](C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459450539 331281927 /nfs/dbraw/zinc/28/19/27/331281927.db2.gz AKKGTMBNEUYQPH-UHFFFAOYSA-N 0 3 269.772 3.452 20 30 CGEDHN C=C(C)C[N@H+](C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459450539 331281928 /nfs/dbraw/zinc/28/19/28/331281928.db2.gz AKKGTMBNEUYQPH-UHFFFAOYSA-N 0 3 269.772 3.452 20 30 CGEDHN CC#CCCN[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459477570 331283927 /nfs/dbraw/zinc/28/39/27/331283927.db2.gz HNDIHRRNFOJFTM-GVDBMIGSSA-N 0 3 289.444 3.328 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc(Oc2cnccn2)cc1 ZINC000459732780 331296638 /nfs/dbraw/zinc/29/66/38/331296638.db2.gz PHKJOBVELBEPLL-UHFFFAOYSA-N 0 3 296.374 3.298 20 30 CGEDHN CO[C@@H]1C[C@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC000459750727 331298339 /nfs/dbraw/zinc/29/83/39/331298339.db2.gz HMBPTZMEKJGJGU-JKSUJKDBSA-N 0 3 289.806 3.239 20 30 CGEDHN CC[C@@H]1OCC[C@H]1NCc1ccccc1C(C)(C)C#N ZINC000459784775 331300840 /nfs/dbraw/zinc/30/08/40/331300840.db2.gz YATQAJHALIKLKP-CVEARBPZSA-N 0 3 272.392 3.145 20 30 CGEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000466366307 331393479 /nfs/dbraw/zinc/39/34/79/331393479.db2.gz FXYHJYRWLLTWSD-HNNXBMFYSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCCCCCN[C@H](CO)c1cccc(F)c1 ZINC000488244726 331995738 /nfs/dbraw/zinc/99/57/38/331995738.db2.gz FIZPXMRCMQCSCG-OAHLLOKOSA-N 0 3 251.345 3.195 20 30 CGEDHN C=CCOc1ccccc1CN1CCSC[C@@H](C)C1 ZINC000488370336 332002406 /nfs/dbraw/zinc/00/24/06/332002406.db2.gz GWNSESISFSWXLT-AWEZNQCLSA-N 0 3 277.433 3.436 20 30 CGEDHN C=CCCCCCN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000488972806 332036260 /nfs/dbraw/zinc/03/62/60/332036260.db2.gz FBZOJEPFCPRJOQ-ZNMIVQPWSA-N 0 3 265.397 3.006 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000489283375 332045158 /nfs/dbraw/zinc/04/51/58/332045158.db2.gz AJBKGMCLUMHYRO-ZBFHGGJFSA-N 0 3 270.376 3.160 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)C[C@H](C)CC ZINC000489337917 332047468 /nfs/dbraw/zinc/04/74/68/332047468.db2.gz XWUVUYBBLCLOPW-CABCVRRESA-N 0 3 268.445 3.168 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490038040 332077933 /nfs/dbraw/zinc/07/79/33/332077933.db2.gz TYPIWHZDKZQIMN-HZPDHXFCSA-N 0 3 297.826 3.286 20 30 CGEDHN Cc1ccc([C@H]2C[C@@H](C)N(CC3(C#N)CC3)C2)cc1 ZINC000490073661 332080181 /nfs/dbraw/zinc/08/01/81/332080181.db2.gz RCBZGRMSYGKTDX-ZBFHGGJFSA-N 0 3 254.377 3.477 20 30 CGEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491786580 332349337 /nfs/dbraw/zinc/34/93/37/332349337.db2.gz UKGJKUWDRZYIKL-ZDUSSCGKSA-N 0 3 285.309 3.082 20 30 CGEDHN CC#CCN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195614 333007676 /nfs/dbraw/zinc/00/76/76/333007676.db2.gz FFRZYWHXMBTVGQ-OAHLLOKOSA-N 0 3 297.320 3.020 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000185513129 333142271 /nfs/dbraw/zinc/14/22/71/333142271.db2.gz PKOHNLWVJACPMN-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190205246 333204599 /nfs/dbraw/zinc/20/45/99/333204599.db2.gz WJCPVIMHFFNRMW-VXGBXAGGSA-N 0 3 279.346 3.224 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191380871 333219133 /nfs/dbraw/zinc/21/91/33/333219133.db2.gz JFSOEYSYMKMPHH-ZDUSSCGKSA-N 0 3 279.428 3.190 20 30 CGEDHN C[C@H]1COCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000192128274 333230435 /nfs/dbraw/zinc/23/04/35/333230435.db2.gz IXSOPIOHEDSCDV-WFASDCNBSA-N 0 3 297.320 3.072 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000522082951 333239288 /nfs/dbraw/zinc/23/92/88/333239288.db2.gz WLNPBICYCORLED-HNNXBMFYSA-N 0 3 292.467 3.454 20 30 CGEDHN CC[C@H](C)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000234014773 333357112 /nfs/dbraw/zinc/35/71/12/333357112.db2.gz ZAOWAAJZCJLGGC-HNNXBMFYSA-N 0 3 265.445 3.123 20 30 CGEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(C)C#N ZINC000524768001 333387656 /nfs/dbraw/zinc/38/76/56/333387656.db2.gz AUVYGBFNQDAYOO-BMFZPTHFSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccccc1OC(C)C ZINC000539226337 333662363 /nfs/dbraw/zinc/66/23/63/333662363.db2.gz SQLQHHRRDFEPIQ-GJZGRUSLSA-N 0 3 277.408 3.452 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)o2)C1(CC)CC ZINC000175037595 335171743 /nfs/dbraw/zinc/17/17/43/335171743.db2.gz FRDLSFFQCWPOJW-GJZGRUSLSA-N 0 3 276.380 3.225 20 30 CGEDHN CC(C)CN(CC(=O)N[C@@](C)(C#N)C(C)C)CC(C)(C)C ZINC000134463965 334091216 /nfs/dbraw/zinc/09/12/16/334091216.db2.gz IAJRFYHDLLBSQD-KRWDZBQOSA-N 0 3 295.471 3.045 20 30 CGEDHN C=C(C)COCCNCc1ccc(F)c2cccnc12 ZINC000134499996 334092376 /nfs/dbraw/zinc/09/23/76/334092376.db2.gz VJZCZYKCHOZDBE-UHFFFAOYSA-N 0 3 274.339 3.056 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000564809425 334521946 /nfs/dbraw/zinc/52/19/46/334521946.db2.gz GXZDFSORPORHLQ-FRFSOERESA-N 0 3 285.366 3.495 20 30 CGEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576706807 335237978 /nfs/dbraw/zinc/23/79/78/335237978.db2.gz AHAIDSOFHQBEND-BXUZGUMPSA-N 0 3 273.336 3.087 20 30 CGEDHN COc1cc(C#N)ccc1COc1cc(C)nc(C)c1C ZINC000576995309 335275384 /nfs/dbraw/zinc/27/53/84/335275384.db2.gz SRWOQEFVAWSSBW-UHFFFAOYSA-N 0 3 282.343 3.466 20 30 CGEDHN N#Cc1csc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000177685644 335378818 /nfs/dbraw/zinc/37/88/18/335378818.db2.gz LOEKJVGQGLTELQ-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN C[C@@H](NCc1ccc(CO)c(F)c1)c1cccc(C#N)c1 ZINC000181566348 335771034 /nfs/dbraw/zinc/77/10/34/335771034.db2.gz MNPUEHIFGKGFRD-GFCCVEGCSA-N 0 3 284.334 3.040 20 30 CGEDHN N#Cc1ccc(CN(C[C@H]2CCCCO2)C2CC2)cc1 ZINC000194967003 336041182 /nfs/dbraw/zinc/04/11/82/336041182.db2.gz CUNOZIBVIFKUAM-QGZVFWFLSA-N 0 3 270.376 3.092 20 30 CGEDHN C=CC(C)(C)CNCc1cn2cc(Cl)ccc2n1 ZINC000384878565 336133584 /nfs/dbraw/zinc/13/35/84/336133584.db2.gz SZFJMWZXQMKWDO-UHFFFAOYSA-N 0 3 263.772 3.290 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)C(C)(C)C ZINC000581847433 336151235 /nfs/dbraw/zinc/15/12/35/336151235.db2.gz JLPTVXTZEZBVFC-INIZCTEOSA-N 0 3 261.409 3.472 20 30 CGEDHN C[C@H](Nc1ncc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000413272132 534031876 /nfs/dbraw/zinc/03/18/76/534031876.db2.gz TVLOGYBPOMWGEI-LRDDRELGSA-N 0 3 298.365 3.196 20 30 CGEDHN N#CCCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344325352 534612593 /nfs/dbraw/zinc/61/25/93/534612593.db2.gz LSPVEIJTHATIEP-UHFFFAOYSA-N 0 3 285.303 3.248 20 30 CGEDHN COc1cc(CN2CC[C@H](c3ccco3)C2)ccc1C#N ZINC000374242297 522396797 /nfs/dbraw/zinc/39/67/97/522396797.db2.gz VWRDTICGBTXJEQ-HNNXBMFYSA-N 0 3 282.343 3.149 20 30 CGEDHN N#Cc1c(CN2CC[C@@H]3CCC[C@@H]32)cn2ccccc12 ZINC000426486225 534761642 /nfs/dbraw/zinc/76/16/42/534761642.db2.gz LAEHHMIUYZLBND-BBRMVZONSA-N 0 3 265.360 3.185 20 30 CGEDHN N#Cc1c(CN2C[C@@H]3CCCC[C@@H]3C2)cn2ccccc12 ZINC000426829597 534762106 /nfs/dbraw/zinc/76/21/06/534762106.db2.gz QEWVUEULBUZQOG-GASCZTMLSA-N 0 3 279.387 3.433 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cc(C(C)C)oc2C)CC1 ZINC000352269768 526446052 /nfs/dbraw/zinc/44/60/52/526446052.db2.gz XSOHTOWDOXCIOS-UHFFFAOYSA-N 0 3 290.407 3.092 20 30 CGEDHN C=CCCCN(C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000346975978 527192616 /nfs/dbraw/zinc/19/26/16/527192616.db2.gz YOGXNLDUQYCITI-UHFFFAOYSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCCOCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000353272092 527368425 /nfs/dbraw/zinc/36/84/25/527368425.db2.gz ZZHASLQZXDIVNC-HNNXBMFYSA-N 0 3 283.799 3.210 20 30 CGEDHN C=CCC[C@@H](N[C@H](C)CC(C)(C)O)c1ccco1 ZINC000296458712 527451189 /nfs/dbraw/zinc/45/11/89/527451189.db2.gz NENIDQDFEYLGSP-CHWSQXEVSA-N 0 3 251.370 3.426 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000334708647 527457181 /nfs/dbraw/zinc/45/71/81/527457181.db2.gz LDSARANZDCNBQZ-OAHLLOKOSA-N 0 3 268.360 3.481 20 30 CGEDHN CCCN1CCC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC000329215311 528233260 /nfs/dbraw/zinc/23/32/60/528233260.db2.gz MMMPVMKZHVSDBD-ZDUSSCGKSA-N 0 3 291.395 3.039 20 30 CGEDHN CC1CCN(CCSc2ccc(C#N)cc2)CC1 ZINC000427530122 528247970 /nfs/dbraw/zinc/24/79/70/528247970.db2.gz HIPNAMVCMYDIAE-UHFFFAOYSA-N 0 3 260.406 3.382 20 30 CGEDHN CC(C)[C@@H](CNCc1ccc(C#N)o1)Nc1ccccc1 ZINC000174365571 528463348 /nfs/dbraw/zinc/46/33/48/528463348.db2.gz JYVBNAFUSFNRDP-QGZVFWFLSA-N 0 3 283.375 3.378 20 30 CGEDHN CCCCOCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425530113 528589352 /nfs/dbraw/zinc/58/93/52/528589352.db2.gz DQEJNINVVGLPNE-AWEZNQCLSA-N 0 3 260.381 3.368 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000361237956 528770061 /nfs/dbraw/zinc/77/00/61/528770061.db2.gz RJYZOSYERYKTTH-CYBMUJFWSA-N 0 3 298.308 3.188 20 30 CGEDHN CC[C@](C)(CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000453292589 535826653 /nfs/dbraw/zinc/82/66/53/535826653.db2.gz CQBCDLVQXRAEMK-IAQYHMDHSA-N 0 3 264.344 3.163 20 30 CGEDHN C=CCc1cccc(C(C)C)c1NC(=O)NCCN(C)C ZINC000191483884 571697815 /nfs/dbraw/zinc/69/78/15/571697815.db2.gz BNCXXCISFNGDRV-UHFFFAOYSA-N 0 3 289.423 3.222 20 30 CGEDHN CS[C@@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000728765170 571818600 /nfs/dbraw/zinc/81/86/00/571818600.db2.gz ZVKBTYUXQGMXNO-DTWKUNHWSA-N 0 3 276.386 3.224 20 30 CGEDHN CCCCCCCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000740877325 571890888 /nfs/dbraw/zinc/89/08/88/571890888.db2.gz AZRVNIDLSUITDM-NEPJUHHUSA-N 0 3 267.335 3.344 20 30 CGEDHN C=CCN(CCc1nc(-c2ccccc2)no1)C(C)C ZINC000740875268 572464120 /nfs/dbraw/zinc/46/41/20/572464120.db2.gz PLVOFOIYFDCTFU-UHFFFAOYSA-N 0 3 271.364 3.176 20 30 CGEDHN Cc1cc([O-])c(C[NH2+]Cc2ccc(C#N)cc2)cc1C ZINC000742367020 572566932 /nfs/dbraw/zinc/56/69/32/572566932.db2.gz DQAZVLRGEFONTP-UHFFFAOYSA-N 0 3 266.344 3.171 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@H](C)OC)c([O-])c1 ZINC000726429780 572576658 /nfs/dbraw/zinc/57/66/58/572576658.db2.gz RCCGMDZHGUIURX-VLURKWGBSA-N 0 3 278.396 3.082 20 30 CGEDHN CCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000726859944 572602992 /nfs/dbraw/zinc/60/29/92/572602992.db2.gz PTTGXIBSKHQGML-SNVBAGLBSA-N 0 3 256.305 3.440 20 30 CGEDHN C#CCCN1CCC(NC(=O)[C@H](C)CCCCCC)CC1 ZINC000743491632 572666760 /nfs/dbraw/zinc/66/67/60/572666760.db2.gz JOMMHJQWMHVTNI-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN CC(C)[C@H]1CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744146625 572713838 /nfs/dbraw/zinc/71/38/38/572713838.db2.gz HXZIVWRUJAZPQI-GOSISDBHSA-N 0 3 294.402 3.500 20 30 CGEDHN N#CC(C(=O)CC1CCOCC1)c1ccc2ccccc2n1 ZINC000735395862 572718537 /nfs/dbraw/zinc/71/85/37/572718537.db2.gz GQMHYGBGEUTMLA-OAHLLOKOSA-N 0 3 294.354 3.228 20 30 CGEDHN C#CCN(CC)Cc1ccc(SC(F)F)cc1 ZINC000746456906 572872226 /nfs/dbraw/zinc/87/22/26/572872226.db2.gz RHQNMZPZJVTGHJ-UHFFFAOYSA-N 0 3 255.333 3.456 20 30 CGEDHN COc1ccc(CNCc2cc(C)cc(C)c2)cc1C#N ZINC000746741556 572894081 /nfs/dbraw/zinc/89/40/81/572894081.db2.gz NIORBCRIJZWKQC-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C#CCCN1CCC(NC(=O)CCCCCC(C)C)CC1 ZINC000747907693 572954175 /nfs/dbraw/zinc/95/41/75/572954175.db2.gz PFBPCVBECSDAEJ-UHFFFAOYSA-N 0 3 292.467 3.197 20 30 CGEDHN CCN(CCc1ccccn1)Cc1ccc(OC)c(C#N)c1 ZINC000749522835 573015033 /nfs/dbraw/zinc/01/50/33/573015033.db2.gz LQFPKASZZYPQKL-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN FC(F)CNN=C1CCCC[C@H]1N1CCCCCC1 ZINC000749814926 573041305 /nfs/dbraw/zinc/04/13/05/573041305.db2.gz UDJYRUYOUXQGQB-CYBMUJFWSA-N 0 3 273.371 3.016 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1cc(C)cc(C)c1 ZINC000876611810 634867928 /nfs/dbraw/zinc/86/79/28/634867928.db2.gz SGHHQCIBKPUNSR-AWEZNQCLSA-N 0 3 280.799 3.126 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)C[C@H]1C ZINC000947896015 613236485 /nfs/dbraw/zinc/23/64/85/613236485.db2.gz UHIADZFIXVBVNC-CRAIPNDOSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cocc1C ZINC000968984659 613306608 /nfs/dbraw/zinc/30/66/08/613306608.db2.gz GJVQLATUUKZNSJ-OAHLLOKOSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000975032465 613401582 /nfs/dbraw/zinc/40/15/82/613401582.db2.gz YBOPWKNYBRJNEH-HNNXBMFYSA-N 0 3 290.451 3.136 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@H]2C)cc1 ZINC000968339412 613515185 /nfs/dbraw/zinc/51/51/85/613515185.db2.gz GWFPOQNJQRNTBI-CRAIPNDOSA-N 0 3 298.430 3.346 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000980493277 613620343 /nfs/dbraw/zinc/62/03/43/613620343.db2.gz GWWVUSJFFOGJJE-OAHLLOKOSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000969121853 613683604 /nfs/dbraw/zinc/68/36/04/613683604.db2.gz PILULQPSISVNBC-BRWVUGGUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3ccccc23)C[C@H]1C ZINC000948093783 613759457 /nfs/dbraw/zinc/75/94/57/613759457.db2.gz AKDXTZWQHLZKTR-ZIAGYGMSSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940960360 613784394 /nfs/dbraw/zinc/78/43/94/613784394.db2.gz FIEOLNRJXRBVKH-GJZGRUSLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000947997984 613790582 /nfs/dbraw/zinc/79/05/82/613790582.db2.gz HFXCZLXITWJCKK-QWRGUYRKSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000940725880 613794638 /nfs/dbraw/zinc/79/46/38/613794638.db2.gz HVNYAXQSLYGAOH-AWEZNQCLSA-N 0 3 292.448 3.073 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(Cl)cc2)CCC1 ZINC000933300013 618196068 /nfs/dbraw/zinc/19/60/68/618196068.db2.gz OPPFULVDTZWTOF-GFCCVEGCSA-N 0 3 290.794 3.203 20 30 CGEDHN CN(CCCC(C)(F)F)Cc1cc(C#N)cs1 ZINC000933769790 618320514 /nfs/dbraw/zinc/32/05/14/618320514.db2.gz FUQNVTFXDMOJOU-UHFFFAOYSA-N 0 3 258.337 3.487 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000926424505 618659998 /nfs/dbraw/zinc/65/99/98/618659998.db2.gz NSWSNWPWYYMPPO-CJNGLKHVSA-N 0 3 291.414 3.346 20 30 CGEDHN CCOc1ccc(CCN(C)Cc2cncc(C#N)c2)cc1 ZINC000934719387 618674278 /nfs/dbraw/zinc/67/42/78/618674278.db2.gz OVDWHDDAMUZGLF-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC001022913832 618681828 /nfs/dbraw/zinc/68/18/28/618681828.db2.gz SQSMUTLFKHGWFU-KNCOVGOOSA-N 0 3 298.858 3.048 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(Cl)c2cccnc12 ZINC000229892123 618870062 /nfs/dbraw/zinc/87/00/62/618870062.db2.gz NYNIAMAOQGUWMX-GFCCVEGCSA-N 0 3 258.752 3.390 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](c1ccccn1)C1CC1 ZINC000926895053 618984617 /nfs/dbraw/zinc/98/46/17/618984617.db2.gz SXJCPTRNVSRJQX-IUODEOHRSA-N 0 3 257.381 3.451 20 30 CGEDHN CCCCn1cc(CN[C@H](C)CC(C)(C)C#N)c(C)n1 ZINC000925690217 619138876 /nfs/dbraw/zinc/13/88/76/619138876.db2.gz ICMBOBSJQPTXSE-CYBMUJFWSA-N 0 3 276.428 3.410 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](Cc3ccncc3)C2)cs1 ZINC000893502937 619195208 /nfs/dbraw/zinc/19/52/08/619195208.db2.gz WWRNYMGIYXCWEU-CQSZACIVSA-N 0 3 283.400 3.079 20 30 CGEDHN N#CCCCNCc1cc(Cl)cc(Br)c1 ZINC000893514302 619200192 /nfs/dbraw/zinc/20/01/92/619200192.db2.gz KKURYDAIHAECQU-UHFFFAOYSA-N 0 3 287.588 3.496 20 30 CGEDHN CN(Cc1csc(C#N)c1)CC1(O)CCCCCC1 ZINC000893715696 619304970 /nfs/dbraw/zinc/30/49/70/619304970.db2.gz CZNVOKILXJYYDT-UHFFFAOYSA-N 0 3 278.421 3.137 20 30 CGEDHN COCCN(Cc1csc(C#N)c1)[C@@H]1CC[C@@H](C)C1 ZINC000894002050 619349556 /nfs/dbraw/zinc/34/95/56/619349556.db2.gz UPBPBHMCNAXLJH-TZMCWYRMSA-N 0 3 278.421 3.257 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(C(=O)OC)s1 ZINC000895225744 619786875 /nfs/dbraw/zinc/78/68/75/619786875.db2.gz RNVMNRKETBOXCG-VXGBXAGGSA-N 0 3 294.420 3.154 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC000895556428 619849604 /nfs/dbraw/zinc/84/96/04/619849604.db2.gz ASAWJFPAZRHTRV-SNVBAGLBSA-N 0 3 253.777 3.024 20 30 CGEDHN CC(C)(NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000895657597 619864871 /nfs/dbraw/zinc/86/48/71/619864871.db2.gz AFNREUOREXGHBF-QGZVFWFLSA-N 0 3 298.361 3.299 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC2(C3CC3)CCC2)c1 ZINC000895902364 619904209 /nfs/dbraw/zinc/90/42/09/619904209.db2.gz XSDXLEZMDIJZDP-UHFFFAOYSA-N 0 3 261.756 3.029 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccccc1Cl ZINC000883389183 619985363 /nfs/dbraw/zinc/98/53/63/619985363.db2.gz LYKBFEPHLXKXKL-RYUDHWBXSA-N 0 3 253.773 3.318 20 30 CGEDHN N#Cc1c(F)cccc1CNCC[C@H]1CCC2(CCC2)O1 ZINC000897246530 620172155 /nfs/dbraw/zinc/17/21/55/620172155.db2.gz WDJXOUQSTYVEIY-CQSZACIVSA-N 0 3 288.366 3.279 20 30 CGEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925144407 620180418 /nfs/dbraw/zinc/18/04/18/620180418.db2.gz NMYSHWSGPVUFDJ-WFASDCNBSA-N 0 3 288.391 3.437 20 30 CGEDHN CC[C@H](C)[C@@H](CN(C)Cc1cc(C#N)cs1)OC ZINC000897624301 620411677 /nfs/dbraw/zinc/41/16/77/620411677.db2.gz HNZNYBCQOXYZQB-SMDDNHRTSA-N 0 3 266.410 3.113 20 30 CGEDHN COC1(CN(C)Cc2cc(C#N)cs2)CCCCC1 ZINC000897625036 620412216 /nfs/dbraw/zinc/41/22/16/620412216.db2.gz AGYPVZCDRIDNBM-UHFFFAOYSA-N 0 3 278.421 3.401 20 30 CGEDHN CC[C@@H](Cc1cccs1)NCc1nc(C#N)cs1 ZINC000897629299 620414417 /nfs/dbraw/zinc/41/44/17/620414417.db2.gz TZJJPZGZKBRFFX-JTQLQIEISA-N 0 3 277.418 3.187 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@H](c3cccnc3)C2)n1 ZINC000897629927 620414538 /nfs/dbraw/zinc/41/45/38/620414538.db2.gz PEBJMZISIPEOOL-JSGCOSHPSA-N 0 3 298.415 3.226 20 30 CGEDHN C=CC(C)(C)NCc1cnc([C@H]2CCCO2)s1 ZINC000898458216 620590139 /nfs/dbraw/zinc/59/01/39/620590139.db2.gz ZLUVPUVEFUEMBU-LLVKDONJSA-N 0 3 252.383 3.049 20 30 CGEDHN C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902873144 621475843 /nfs/dbraw/zinc/47/58/43/621475843.db2.gz WWXQNIMZTCABOD-OWQGQXMQSA-N 0 3 277.371 3.235 20 30 CGEDHN C=CC(C)(C)CCCN[C@@H](C)c1cn(CCC)nn1 ZINC000903084180 621564224 /nfs/dbraw/zinc/56/42/24/621564224.db2.gz BHFOEGNOFQRDLX-ZDUSSCGKSA-N 0 3 264.417 3.331 20 30 CGEDHN CC(C)C(C(C)C)[C@H](C)NCc1nc(C#N)cs1 ZINC000903262275 621647876 /nfs/dbraw/zinc/64/78/76/621647876.db2.gz CITYTMHMJLTRMD-NSHDSACASA-N 0 3 265.426 3.421 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000903295592 621664234 /nfs/dbraw/zinc/66/42/34/621664234.db2.gz WDYWBQHOFXRVPL-DZGCQCFKSA-N 0 3 298.386 3.119 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1c(C)cc(C)cc1C ZINC000911907453 622568774 /nfs/dbraw/zinc/56/87/74/622568774.db2.gz YWTQRMWOWMXTFQ-CQSZACIVSA-N 0 3 260.381 3.234 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000912229773 622621805 /nfs/dbraw/zinc/62/18/05/622621805.db2.gz NEPUMIVYTPGFHO-SJORKVTESA-N 0 3 286.419 3.342 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1c(C)noc1C ZINC000912278105 622630211 /nfs/dbraw/zinc/63/02/11/622630211.db2.gz ZHWSCIFOFNQTOG-CYBMUJFWSA-N 0 3 281.400 3.308 20 30 CGEDHN C#CCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157033599 622862134 /nfs/dbraw/zinc/86/21/34/622862134.db2.gz ZGRWCJXSKKPYMT-CYBMUJFWSA-N 0 3 263.768 3.064 20 30 CGEDHN C=C(Br)CN[C@H](C)Cc1ccc(F)cc1 ZINC000062052686 623193633 /nfs/dbraw/zinc/19/36/33/623193633.db2.gz FQLLGWVVHYYSGY-SNVBAGLBSA-N 0 3 272.161 3.255 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000840746896 623508591 /nfs/dbraw/zinc/50/85/91/623508591.db2.gz ICPPIAPKDBBSIG-CABCVRRESA-N 0 3 287.407 3.025 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)C3CCCC3)CCC[C@@H]12 ZINC000992409779 623543429 /nfs/dbraw/zinc/54/34/29/623543429.db2.gz ULGNERYXQVMXAK-QGPMSJSTSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@H]12 ZINC000992423969 623554909 /nfs/dbraw/zinc/55/49/09/623554909.db2.gz ONBDKFYOSBPFIH-NBOOPKSLSA-N 0 3 290.451 3.112 20 30 CGEDHN N#CC(C(=O)CC1CC1)c1nc2ccccc2n1C(F)F ZINC000915104366 623896030 /nfs/dbraw/zinc/89/60/30/623896030.db2.gz PESJXTGUOQNHPO-JTQLQIEISA-N 0 3 289.285 3.408 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC=C(C)C)[C@H]2C)C1 ZINC000993782598 624062761 /nfs/dbraw/zinc/06/27/61/624062761.db2.gz ADUZOJJRMLSKJT-HOTGVXAUSA-N 0 3 290.451 3.278 20 30 CGEDHN CCCNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000915965785 624094282 /nfs/dbraw/zinc/09/42/82/624094282.db2.gz ZYRSOLOTDFMOKR-ZVWAPXQTSA-N 0 3 257.381 3.283 20 30 CGEDHN CCCCCCC[C@@H](C)CNC(=O)N1CCCN(C)CC1 ZINC000918137298 624337070 /nfs/dbraw/zinc/33/70/70/624337070.db2.gz YDKOECUEJIOOKW-MRXNPFEDSA-N 0 3 297.487 3.330 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC=CCC1 ZINC000873495222 634389996 /nfs/dbraw/zinc/38/99/96/634389996.db2.gz GHMPFPVDQHHZLF-CQSZACIVSA-N 0 3 293.370 3.496 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2CCC2)cc1 ZINC000175108037 624614207 /nfs/dbraw/zinc/61/42/07/624614207.db2.gz ZBNYJUSPRVZUFJ-INIZCTEOSA-N 0 3 298.386 3.477 20 30 CGEDHN C[C@@H](CNCc1csc(C#N)c1)Oc1ccc(F)cc1 ZINC000921793136 625877860 /nfs/dbraw/zinc/87/78/60/625877860.db2.gz VLQPXKRUHHQERU-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN Cc1cccc2oc(CCNCc3csc(C#N)c3)nc21 ZINC000921803537 625881543 /nfs/dbraw/zinc/88/15/43/625881543.db2.gz VREZGYZVBOQLMV-UHFFFAOYSA-N 0 3 297.383 3.402 20 30 CGEDHN C=CCN(CC=C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929260133 625963945 /nfs/dbraw/zinc/96/39/45/625963945.db2.gz UOBBTMAGINIKMY-NWDGAFQWSA-N 0 3 263.303 3.160 20 30 CGEDHN Cn1cc(CNCC(C)(C)CC#N)c(C2CCCC2)n1 ZINC000922179057 625980044 /nfs/dbraw/zinc/98/00/44/625980044.db2.gz SHLOAPQXZLVTSG-UHFFFAOYSA-N 0 3 274.412 3.107 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2CCCCCCC2)CC1 ZINC001005692442 626095061 /nfs/dbraw/zinc/09/50/61/626095061.db2.gz XHNZZWLOOSLXKQ-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN Cc1cc(CN[C@@H](c2cnn(C)c2)C(C)C)ccc1C#N ZINC000922896139 626095075 /nfs/dbraw/zinc/09/50/75/626095075.db2.gz WOOWNACXJJISQA-QGZVFWFLSA-N 0 3 282.391 3.087 20 30 CGEDHN CCOCCON=C(C)c1ccc(N2CCCCC2)cc1 ZINC000774419033 626176220 /nfs/dbraw/zinc/17/62/20/626176220.db2.gz ZCRPZWGMGHCFHO-UHFFFAOYSA-N 0 3 290.407 3.454 20 30 CGEDHN CC[C@@H](C)NN=Cc1ccc(N2CCCCC2)cc1 ZINC000790182622 626468024 /nfs/dbraw/zinc/46/80/24/626468024.db2.gz LDBSIPBCIYTYNC-CQSZACIVSA-N 0 3 259.397 3.399 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCCCO3)nc21 ZINC000756289759 626689690 /nfs/dbraw/zinc/68/96/90/626689690.db2.gz IVDAMDLTVZLDOX-CHWSQXEVSA-N 0 3 297.358 3.007 20 30 CGEDHN C[C@@H](NCc1cc(C#N)ccc1F)c1cc(F)ccc1O ZINC000756733221 626728943 /nfs/dbraw/zinc/72/89/43/626728943.db2.gz PRBKJRGICCYEEA-SNVBAGLBSA-N 0 3 288.297 3.393 20 30 CGEDHN C#CCN(Cc1ccc(OC)c(F)c1)C1CCCC1 ZINC000756911685 626740763 /nfs/dbraw/zinc/74/07/63/626740763.db2.gz BMVOPRUWFPXMLJ-UHFFFAOYSA-N 0 3 261.340 3.212 20 30 CGEDHN C#CC[C@@H](NCc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000756996229 626746162 /nfs/dbraw/zinc/74/61/62/626746162.db2.gz PCRNLPWSNMTEKW-MRXNPFEDSA-N 0 3 275.355 3.417 20 30 CGEDHN C#CC[C@@H](NCc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000756996229 626746164 /nfs/dbraw/zinc/74/61/64/626746164.db2.gz PCRNLPWSNMTEKW-MRXNPFEDSA-N 0 3 275.355 3.417 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000839595958 626764151 /nfs/dbraw/zinc/76/41/51/626764151.db2.gz PIOOKGJPKAZKLF-OUAUKWLOSA-N 0 3 261.196 3.194 20 30 CGEDHN C[C@H]1CC(N=Nc2cccc3c2CCCC3)CN1C ZINC000761811055 627062301 /nfs/dbraw/zinc/06/23/01/627062301.db2.gz GFHYHGDRIOEKQF-LBPRGKRZSA-N 0 3 257.381 3.057 20 30 CGEDHN CCCCCCN(C)CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000765778262 627270111 /nfs/dbraw/zinc/27/01/11/627270111.db2.gz YDBHPTCUHAAANR-OAHLLOKOSA-N 0 3 293.455 3.039 20 30 CGEDHN C#CCCCN(C)Cc1cc(Cl)ccc1OC ZINC000766897046 627368614 /nfs/dbraw/zinc/36/86/14/627368614.db2.gz WQDOXSVYLHPPBR-UHFFFAOYSA-N 0 3 251.757 3.194 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000767913125 627443706 /nfs/dbraw/zinc/44/37/06/627443706.db2.gz REEGHQLJQRRBKR-IBGZPJMESA-N 0 3 279.383 3.164 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H]3[C@H]2CCCN3C)CCCCC1 ZINC000874826439 634628004 /nfs/dbraw/zinc/62/80/04/634628004.db2.gz OBSCJMGYFGNARJ-JKSUJKDBSA-N 0 3 290.451 3.208 20 30 CGEDHN C#CC[C@@H](NC[C@H](O)c1ccccc1F)c1ccccc1 ZINC000775398797 628090861 /nfs/dbraw/zinc/09/08/61/628090861.db2.gz LYZBKZJLVFCVJM-MSOLQXFVSA-N 0 3 283.346 3.213 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cccc(C)c1C)[C@H]1CCCO1 ZINC000775571572 628107987 /nfs/dbraw/zinc/10/79/87/628107987.db2.gz IKRFQJAUEHHPQY-BHYGNILZSA-N 0 3 257.377 3.135 20 30 CGEDHN C#CCN(Cc1cn(C)nc1C(C)(C)C)C1CCCCC1 ZINC000775665050 628122183 /nfs/dbraw/zinc/12/21/83/628122183.db2.gz VNQCFLJANAYZSP-UHFFFAOYSA-N 0 3 287.451 3.486 20 30 CGEDHN C#CCN(Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000775672612 628123188 /nfs/dbraw/zinc/12/31/88/628123188.db2.gz CGPMLVBIPNBSOY-UHFFFAOYSA-N 0 3 252.361 3.085 20 30 CGEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc[nH]1 ZINC000776171399 628175459 /nfs/dbraw/zinc/17/54/59/628175459.db2.gz MXNMEMBWZBOZSG-STQMWFEESA-N 0 3 269.348 3.329 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@H](C)C1 ZINC000778179215 628332430 /nfs/dbraw/zinc/33/24/30/628332430.db2.gz QKFCFRWVHXWYNU-OLZOCXBDSA-N 0 3 293.794 3.009 20 30 CGEDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(C#N)c1 ZINC000779087118 628387842 /nfs/dbraw/zinc/38/78/42/628387842.db2.gz MNSISHORSYJVTB-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN C=CCN(C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000779188209 628393149 /nfs/dbraw/zinc/39/31/49/628393149.db2.gz HYCMCFLKELLUDP-UHFFFAOYSA-N 0 3 250.361 3.290 20 30 CGEDHN C[C@H](NC[C@H]1CSCCS1)c1ccc(C#N)cc1F ZINC000781424232 628559318 /nfs/dbraw/zinc/55/93/18/628559318.db2.gz VZLGMXFZCUTGBJ-JQWIXIFHSA-N 0 3 296.436 3.197 20 30 CGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CCC1=O ZINC000783363325 628705447 /nfs/dbraw/zinc/70/54/47/628705447.db2.gz LMNWYGXUKZTRGF-WOPDTQHZSA-N 0 3 296.326 3.009 20 30 CGEDHN CCCCCCCCN1C[C@@H](C)O[C@H](COC)C1 ZINC000784367855 628810032 /nfs/dbraw/zinc/81/00/32/628810032.db2.gz CPJOEOBQMIFGCK-CABCVRRESA-N 0 3 257.418 3.083 20 30 CGEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000784485968 628816109 /nfs/dbraw/zinc/81/61/09/628816109.db2.gz JPZDEXDDUVYXRA-SWLSCSKDSA-N 0 3 270.307 3.405 20 30 CGEDHN C=C(C)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785718605 628882752 /nfs/dbraw/zinc/88/27/52/628882752.db2.gz WTZWJVBQNCISIO-UHFFFAOYSA-N 0 3 259.349 3.015 20 30 CGEDHN C#CCN(CC)Cc1ccc(C(F)(F)F)cc1C ZINC000785978356 628904855 /nfs/dbraw/zinc/90/48/55/628904855.db2.gz VEHPDSYKZPDPJN-UHFFFAOYSA-N 0 3 255.283 3.469 20 30 CGEDHN N#CC(C(=O)[C@H]1CCCOCC1)c1ccc2ccccc2n1 ZINC000786278553 628921953 /nfs/dbraw/zinc/92/19/53/628921953.db2.gz JLFFJIKNMUUWRF-LSDHHAIUSA-N 0 3 294.354 3.228 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000787997799 629038347 /nfs/dbraw/zinc/03/83/47/629038347.db2.gz RTFFTDJOBNUKQN-UHFFFAOYSA-N 0 3 283.371 3.253 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000787999533 629039388 /nfs/dbraw/zinc/03/93/88/629039388.db2.gz OZKMLNLJYHXWFA-UHFFFAOYSA-N 0 3 283.371 3.199 20 30 CGEDHN CCCCCCC[C@@H](C)N[C@H](C)c1ncnn1C ZINC000789594931 629149606 /nfs/dbraw/zinc/14/96/06/629149606.db2.gz QDAHKSWAXPCMHT-CHWSQXEVSA-N 0 3 252.406 3.215 20 30 CGEDHN COc1ccc2cc(CN=Nc3nccn3C)ccc2c1 ZINC000790300041 629201264 /nfs/dbraw/zinc/20/12/64/629201264.db2.gz OEZACPFRXINFLX-UHFFFAOYSA-N 0 3 280.331 3.028 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CCCO1)c1nccc2ccccc21 ZINC000792100156 629337794 /nfs/dbraw/zinc/33/77/94/629337794.db2.gz KMLLIRAHIXGUQG-GDBMZVCRSA-N 0 3 294.354 3.370 20 30 CGEDHN CCCCCCCCCN1CCOC[C@H]1C[C@H](C)O ZINC000792292257 629354898 /nfs/dbraw/zinc/35/48/98/629354898.db2.gz VVYGJSQKWJTAIZ-JKSUJKDBSA-N 0 3 271.445 3.209 20 30 CGEDHN C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862445040 629378166 /nfs/dbraw/zinc/37/81/66/629378166.db2.gz KMOXCUPPABVLTN-GFCCVEGCSA-N 0 3 263.768 3.199 20 30 CGEDHN C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862445040 629378169 /nfs/dbraw/zinc/37/81/69/629378169.db2.gz KMOXCUPPABVLTN-GFCCVEGCSA-N 0 3 263.768 3.199 20 30 CGEDHN Cc1cc(NN=Cc2cn(C)nc2C2CCCCC2)ccn1 ZINC000863159205 629484688 /nfs/dbraw/zinc/48/46/88/629484688.db2.gz HNHLRHCHKAAJCM-UHFFFAOYSA-N 0 3 297.406 3.039 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2cnc3ccc(C#N)cn23)s1 ZINC000793584853 629487131 /nfs/dbraw/zinc/48/71/31/629487131.db2.gz UDZISQGSPCRUOL-GFCCVEGCSA-N 0 3 296.399 3.427 20 30 CGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NNC1CCCCC1 ZINC000794933672 629602359 /nfs/dbraw/zinc/60/23/59/629602359.db2.gz ZTUGKAQRNOHBDE-UHFFFAOYSA-N 0 3 297.406 3.019 20 30 CGEDHN CC#Cc1cccc(-c2ccc([C@H]3CNCCO3)cc2)c1 ZINC000863691491 629648427 /nfs/dbraw/zinc/64/84/27/629648427.db2.gz QUYWFUZQHRMPFV-LJQANCHMSA-N 0 3 277.367 3.386 20 30 CGEDHN Cc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1C#N ZINC000799556724 630198660 /nfs/dbraw/zinc/19/86/60/630198660.db2.gz OJKXCTAKZCSRCB-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN CCOc1cc(F)cc(CNCC(C)(C)CC#N)c1 ZINC000865599868 630212034 /nfs/dbraw/zinc/21/20/34/630212034.db2.gz WCEUJGGYMILXRZ-UHFFFAOYSA-N 0 3 264.344 3.254 20 30 CGEDHN CCCCN(CCO[C@H](C)C#N)Cc1ccccc1F ZINC000801916389 630366046 /nfs/dbraw/zinc/36/60/46/630366046.db2.gz WYMLATWRJYAQKC-CQSZACIVSA-N 0 3 278.371 3.356 20 30 CGEDHN C[C@H](C#N)OCCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000801924004 630367650 /nfs/dbraw/zinc/36/76/50/630367650.db2.gz PTPBPRCFLACWHO-IOASZLSFSA-N 0 3 276.355 3.137 20 30 CGEDHN C[C@@H](C#N)OCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000801923198 630367970 /nfs/dbraw/zinc/36/79/70/630367970.db2.gz BBWJUCHFTPGKJA-DVOMOZLQSA-N 0 3 276.355 3.137 20 30 CGEDHN CCOc1ccccc1[C@@H](CC)NCCO[C@H](C)C#N ZINC000801937555 630370794 /nfs/dbraw/zinc/37/07/94/630370794.db2.gz PPQHVKLNDSGXDC-UKRRQHHQSA-N 0 3 276.380 3.055 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OC)c(OCCCC)c1 ZINC000809686098 630781694 /nfs/dbraw/zinc/78/16/94/630781694.db2.gz ORNYRBDJPZVJEH-HNNXBMFYSA-N 0 3 275.392 3.376 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000809686344 630782745 /nfs/dbraw/zinc/78/27/45/630782745.db2.gz MNFSQIQBCAJPMI-ZDUSSCGKSA-N 0 3 260.337 3.220 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809749324 630799035 /nfs/dbraw/zinc/79/90/35/630799035.db2.gz MKGZPIGKHKAXOP-QGZVFWFLSA-N 0 3 299.414 3.222 20 30 CGEDHN C#C[C@@H](NCc1cccc(OCCCOC)c1)C(C)(C)C ZINC000809781373 630806176 /nfs/dbraw/zinc/80/61/76/630806176.db2.gz PKWJBFOCWWFCLQ-QGZVFWFLSA-N 0 3 289.419 3.239 20 30 CGEDHN C(NN=C1CCCC[C@H]1N1CCCCC1)[C@H]1CCSC1 ZINC000811659943 631102325 /nfs/dbraw/zinc/10/23/25/631102325.db2.gz CHNMEDQKJGRWAM-GDBMZVCRSA-N 0 3 295.496 3.114 20 30 CGEDHN C[C@@H](C#N)OCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666458 631619210 /nfs/dbraw/zinc/61/92/10/631619210.db2.gz HCTNBOSZXAUGPQ-GXTWGEPZSA-N 0 3 278.783 3.058 20 30 CGEDHN C=CCSCCNCc1cc(C(OC)OC)ccc1F ZINC000818187212 632295543 /nfs/dbraw/zinc/29/55/43/632295543.db2.gz UQMCNDLYRKFLBM-UHFFFAOYSA-N 0 3 299.411 3.126 20 30 CGEDHN C#CCSCCN[C@H](C)c1ccc(OC)cc1Cl ZINC000818330663 632307588 /nfs/dbraw/zinc/30/75/88/632307588.db2.gz BGXUVDCJPFDZHK-LLVKDONJSA-N 0 3 283.824 3.366 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3nc(Cl)ccc32)C1 ZINC000818357349 632314667 /nfs/dbraw/zinc/31/46/67/632314667.db2.gz ZZIYUNFVPQLBSS-UMNHJUIQSA-N 0 3 261.756 3.004 20 30 CGEDHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H](O)c2ccc(C#N)cc2)o1 ZINC000818967562 632357609 /nfs/dbraw/zinc/35/76/09/632357609.db2.gz WDRHWRFENXMZNQ-JLZZUVOBSA-N 0 3 296.370 3.098 20 30 CGEDHN CCC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccn1 ZINC000819018859 632366146 /nfs/dbraw/zinc/36/61/46/632366146.db2.gz YWWKNJBLNJUVGK-SJLPKXTDSA-N 0 3 295.386 3.118 20 30 CGEDHN N#Cc1ccc(CNC2([C@@H]3CCCCO3)CCC2)c(F)c1 ZINC000865857903 632922547 /nfs/dbraw/zinc/92/25/47/632922547.db2.gz ZUBNHQQJVQLOCM-INIZCTEOSA-N 0 3 288.366 3.279 20 30 CGEDHN C=C[C@@H](CC)CC(=O)Nc1ccc(CN(C)C)cc1F ZINC000822646751 632996582 /nfs/dbraw/zinc/99/65/82/632996582.db2.gz FBGPETMWHKRBCQ-LBPRGKRZSA-N 0 3 278.371 3.428 20 30 CGEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)CC1(Cl)Cl ZINC000824766627 633285644 /nfs/dbraw/zinc/28/56/44/633285644.db2.gz WEFRYNXZEBLXEE-LBPRGKRZSA-N 0 3 287.165 3.371 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000826534866 633411409 /nfs/dbraw/zinc/41/14/09/633411409.db2.gz LBNOVDSIAIUIPO-AWEZNQCLSA-N 0 3 252.361 3.322 20 30 CGEDHN C#C[C@H](NCc1ccc(-c2ccccc2)o1)C1CCOCC1 ZINC000827570623 633500003 /nfs/dbraw/zinc/50/00/03/633500003.db2.gz PEAQNXOCFCAOIB-SFHVURJKSA-N 0 3 295.382 3.465 20 30 CGEDHN C#CCN(CCC[C@@H]1CCOC1)Cc1ccc(F)cc1 ZINC000827815145 633521322 /nfs/dbraw/zinc/52/13/22/633521322.db2.gz ONPKWOLGGXEWBK-MRXNPFEDSA-N 0 3 275.367 3.078 20 30 CGEDHN C#CC[C@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000829784929 633784236 /nfs/dbraw/zinc/78/42/36/633784236.db2.gz OCJZHUJNLHGECI-XJKSGUPXSA-N 0 3 277.795 3.109 20 30 CGEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cc(O)ccc1F ZINC000872090813 634015577 /nfs/dbraw/zinc/01/55/77/634015577.db2.gz DPDAOMXNAPFNIM-NHYWBVRUSA-N 0 3 296.345 3.221 20 30 CGEDHN C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(C#N)cc1F ZINC000872109657 634034576 /nfs/dbraw/zinc/03/45/76/634034576.db2.gz PMNAWWLKMANYNW-SYEQVDHESA-N 0 3 288.366 3.306 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834887502 634267572 /nfs/dbraw/zinc/26/75/72/634267572.db2.gz GQTTYXGMTHRQME-GDLCADMTSA-N 0 3 281.783 3.348 20 30 CGEDHN C#Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000834902714 634279191 /nfs/dbraw/zinc/27/91/91/634279191.db2.gz KKQQYQBHQPOZSS-CQSZACIVSA-N 0 3 293.366 3.290 20 30 CGEDHN C#CCCCCCC=Nn1cnnc1-c1ccccc1 ZINC000834935320 634289604 /nfs/dbraw/zinc/28/96/04/634289604.db2.gz YRXYVIAJYSINNZ-UHFFFAOYSA-N 0 3 266.348 3.363 20 30 CGEDHN C[C@@H](NN=C1CCCC[C@H]1N1CCCCC1)C(F)(F)F ZINC000834998988 634306157 /nfs/dbraw/zinc/30/61/57/634306157.db2.gz ACFXHGOLYHVFAL-DGCLKSJQSA-N 0 3 291.361 3.311 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CCCC)cc1 ZINC000876548053 634854816 /nfs/dbraw/zinc/85/48/16/634854816.db2.gz RWEZNQLOJVJWIE-AWEZNQCLSA-N 0 3 280.799 3.438 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccc(C)cc1 ZINC000876558304 634857066 /nfs/dbraw/zinc/85/70/66/634857066.db2.gz JSZKWVZXIFJHSY-UONOGXRCSA-N 0 3 280.799 3.032 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCCCC)c1 ZINC000876613827 634867764 /nfs/dbraw/zinc/86/77/64/634867764.db2.gz VHUUAGPBZGKUSX-CQSZACIVSA-N 0 3 296.798 3.274 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OC(C)(C)C ZINC000876670307 634878432 /nfs/dbraw/zinc/87/84/32/634878432.db2.gz JKSZDLCHLGKPHI-NSHDSACASA-N 0 3 296.798 3.272 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCCc2ccccc2)c1 ZINC000876887401 634921073 /nfs/dbraw/zinc/92/10/73/634921073.db2.gz WJZMRLYCDBIQEL-UHFFFAOYSA-N 0 3 285.778 3.329 20 30 CGEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1cc(C#N)cs1 ZINC000837565724 634936381 /nfs/dbraw/zinc/93/63/81/634936381.db2.gz IRMCFCWABZVMIB-CYBMUJFWSA-N 0 3 292.404 3.039 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)c1cccc2c1CNC2 ZINC000877303760 635021386 /nfs/dbraw/zinc/02/13/86/635021386.db2.gz LPRTVFLVDATUBA-UHFFFAOYSA-N 0 3 272.392 3.012 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(Br)nc1 ZINC000840788082 635053125 /nfs/dbraw/zinc/05/31/25/635053125.db2.gz VSEVKDQPBUQICK-JTQLQIEISA-N 0 3 296.212 3.435 20 30 CGEDHN C#CCCCCCC[NH2+]Cc1ccc(OC)cc1[O-] ZINC000877494085 635059443 /nfs/dbraw/zinc/05/94/43/635059443.db2.gz SJKPZDGVOUDGIQ-UHFFFAOYSA-N 0 3 261.365 3.074 20 30 CGEDHN C#C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)C(C)(C)C ZINC000877531907 635075135 /nfs/dbraw/zinc/07/51/35/635075135.db2.gz DISKTUYTUKNIOE-QGZVFWFLSA-N 0 3 298.430 3.060 20 30 CGEDHN C#C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000877544428 635082014 /nfs/dbraw/zinc/08/20/14/635082014.db2.gz PKYXHALJLQFAKM-LSDHHAIUSA-N 0 3 261.340 3.047 20 30 CGEDHN C[C@H](CCc1cccnc1)NCC1(C#N)CCCC1 ZINC000877609917 635110892 /nfs/dbraw/zinc/11/08/92/635110892.db2.gz OCOODOZMRCWOQM-CQSZACIVSA-N 0 3 257.381 3.076 20 30 CGEDHN COCCON=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841627910 635201602 /nfs/dbraw/zinc/20/16/02/635201602.db2.gz GGQWKJZNPCATTP-QGZVFWFLSA-N 0 3 288.391 3.005 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CCC(C)(C)C1)c1ccccc1 ZINC000878149288 635380479 /nfs/dbraw/zinc/38/04/79/635380479.db2.gz MYOKOLOIOIGIGI-GOSISDBHSA-N 0 3 284.403 3.159 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cc(F)cc(OC)c2)C1 ZINC000843423346 635667064 /nfs/dbraw/zinc/66/70/64/635667064.db2.gz MLQNEOOGFWIAHK-ZDUSSCGKSA-N 0 3 261.340 3.070 20 30 CGEDHN C#CCCCCCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879692946 635836929 /nfs/dbraw/zinc/83/69/29/635836929.db2.gz GRLUAQGJZGBBPB-KRWDZBQOSA-N 0 3 283.419 3.060 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844435442 635900058 /nfs/dbraw/zinc/90/00/58/635900058.db2.gz NWBRXXZDWKNOLT-CQSZACIVSA-N 0 3 262.303 3.179 20 30 CGEDHN COc1ccc(CN2CC[C@H](c3nccs3)C2)cc1C#N ZINC000880320832 635974969 /nfs/dbraw/zinc/97/49/69/635974969.db2.gz ZNWVBBKBZDJWKH-ZDUSSCGKSA-N 0 3 299.399 3.013 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@](C)(O)c1ccccc1 ZINC000846039925 636135947 /nfs/dbraw/zinc/13/59/47/636135947.db2.gz VMBHPAYXQODWTE-FZKQIMNGSA-N 0 3 298.361 3.083 20 30 CGEDHN C#CCSCCN[C@H](C)c1ccccc1Br ZINC000129998476 636404524 /nfs/dbraw/zinc/40/45/24/636404524.db2.gz RBSSVGRQPKIDME-LLVKDONJSA-N 0 3 298.249 3.466 20 30 CGEDHN C#CCCC[C@@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000847867645 636479072 /nfs/dbraw/zinc/47/90/72/636479072.db2.gz PATMNCLAFSGPJA-CQSZACIVSA-N 0 3 273.376 3.097 20 30 CGEDHN Fc1ccc(CON=C2CCCN3CCCC[C@@H]23)cc1 ZINC000848408058 636569663 /nfs/dbraw/zinc/56/96/63/636569663.db2.gz DZXQIQORQAXMNO-INIZCTEOSA-N 0 3 276.355 3.347 20 30 CGEDHN C=CCC[C@@H](NCc1cn2ccc(C)cc2n1)[C@@H]1CCCO1 ZINC000883185934 636572396 /nfs/dbraw/zinc/57/23/96/636572396.db2.gz HJBDOFLJJPBADU-SJORKVTESA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@@H](NCc1nn(C)c2ccccc12)[C@H]1CCCO1 ZINC000883215958 636590760 /nfs/dbraw/zinc/59/07/60/636590760.db2.gz JDRQURUSMYUUMZ-CRAIPNDOSA-N 0 3 299.418 3.177 20 30 CGEDHN COc1ccc(C2CC2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000883266056 636637415 /nfs/dbraw/zinc/63/74/15/636637415.db2.gz QWCIZMKUKFXETQ-BLLLJJGKSA-N 0 3 270.376 3.354 20 30 CGEDHN C#Cc1ccc(CNCc2cc(COC)cs2)cc1 ZINC000850377344 637038378 /nfs/dbraw/zinc/03/83/78/637038378.db2.gz FLLWSJCVTSPPLZ-UHFFFAOYSA-N 0 3 271.385 3.166 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](O)c3ccccc31)CC2 ZINC000850526904 637105456 /nfs/dbraw/zinc/10/54/56/637105456.db2.gz SQWINUVICNEEQA-QRVBRYPASA-N 0 3 290.366 3.314 20 30 CGEDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cccc(C#N)c1 ZINC000135381307 637126733 /nfs/dbraw/zinc/12/67/33/637126733.db2.gz BSUJMQLSZSJLIJ-LBPRGKRZSA-N 0 3 252.317 3.115 20 30 CGEDHN C#CCN(CCO[C@@H]1CC1(F)F)[C@H]1CCc2ccccc21 ZINC000851735652 637483908 /nfs/dbraw/zinc/48/39/08/637483908.db2.gz HNJWMTANDPWICT-JKSUJKDBSA-N 0 3 291.341 3.033 20 30 CGEDHN C#CC[C@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000886353655 637509221 /nfs/dbraw/zinc/50/92/21/637509221.db2.gz MYHHEVKGRGHACV-ZDUSSCGKSA-N 0 3 284.334 3.326 20 30 CGEDHN C#CC[C@H]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000886355512 637511544 /nfs/dbraw/zinc/51/15/44/637511544.db2.gz JQSGDYGLRSZFGG-KBPBESRZSA-N 0 3 281.359 3.143 20 30 CGEDHN C#CCOCCNC(C)(c1ccccc1)c1ccccc1 ZINC000851899687 637536733 /nfs/dbraw/zinc/53/67/33/637536733.db2.gz CLWQYYBPPSYUDY-UHFFFAOYSA-N 0 3 279.383 3.190 20 30 CGEDHN C=CC[C@H]1CCCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000852410916 637649300 /nfs/dbraw/zinc/64/93/00/637649300.db2.gz QGXYRAPRWHWCQM-LRDDRELGSA-N 0 3 281.346 3.286 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2ncccn2)C1 ZINC000886686789 637651551 /nfs/dbraw/zinc/65/15/51/637651551.db2.gz XPNVOTQNEOKBOT-YOEHRIQHSA-N 0 3 292.386 3.289 20 30 CGEDHN CCN1CC[C@H]1C/N=C/c1c(O)ccc2ccccc21 ZINC000887270169 637786945 /nfs/dbraw/zinc/78/69/45/637786945.db2.gz IUQPVTRBONQRNG-QCUKBLKESA-N 0 3 268.360 3.059 20 30 CGEDHN C#Cc1cccnc1NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000853252339 637795189 /nfs/dbraw/zinc/79/51/89/637795189.db2.gz LWCCHNCZZCNAAD-INIZCTEOSA-N 0 3 295.386 3.213 20 30 CGEDHN ClC1(Cl)C[C@@H]1C=Nn1cnc2ccccc21 ZINC000853284326 637800537 /nfs/dbraw/zinc/80/05/37/637800537.db2.gz YBTLJBDJUJLRGG-MRVPVSSYSA-N 0 3 254.120 3.064 20 30 CGEDHN C=CC1CC[NH+](Cc2cc(=O)oc3c(C)c([O-])ccc23)CC1 ZINC000111259701 637825614 /nfs/dbraw/zinc/82/56/14/637825614.db2.gz PEQUIYWRLXMUAG-UHFFFAOYSA-N 0 3 299.370 3.205 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926344793 638764753 /nfs/dbraw/zinc/76/47/53/638764753.db2.gz YHJPLRPSSUYMFI-OZVIIMIRSA-N 0 3 279.355 3.163 20 30 CGEDHN Cc1nc2c(o1)CCC[C@@H]2NCC(C)(C)CCC#N ZINC000926426594 638770723 /nfs/dbraw/zinc/77/07/23/638770723.db2.gz JUEOZCNAHVKUSF-LBPRGKRZSA-N 0 3 261.369 3.280 20 30 CGEDHN Cc1cncc([C@@H](C)NCc2ccc(C)c(C#N)c2)c1 ZINC000926966597 638829722 /nfs/dbraw/zinc/82/97/22/638829722.db2.gz LHAQGJNDIXMGBF-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN C=CCC[C@H](CC)NCc1nc2c(s1)COCC2 ZINC000927116678 638844637 /nfs/dbraw/zinc/84/46/37/638844637.db2.gz JUPFLCQJESIRDP-NSHDSACASA-N 0 3 266.410 3.050 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929164910 638903836 /nfs/dbraw/zinc/90/38/36/638903836.db2.gz PECIUWYISZTVKU-KGLIPLIRSA-N 0 3 298.308 3.100 20 30 CGEDHN C=CC1CCN(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929617555 638934830 /nfs/dbraw/zinc/93/48/30/638934830.db2.gz ASLJAZOVSZYTAU-STQMWFEESA-N 0 3 277.330 3.384 20 30 CGEDHN CCN(C[C@H](O)CC#N)C(c1ccccc1)c1ccccc1 ZINC000929968227 638964940 /nfs/dbraw/zinc/96/49/40/638964940.db2.gz NIYCJIRAQKOEBR-GOSISDBHSA-N 0 3 294.398 3.372 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)c2cccnc12)C1CC1 ZINC000930176547 638979444 /nfs/dbraw/zinc/97/94/44/638979444.db2.gz TZUANJDKSGPJOY-UHFFFAOYSA-N 0 3 296.370 3.172 20 30 CGEDHN CC(C)Cc1ccc([C@H](NC[C@H](O)CC#N)C2CC2)cc1 ZINC000930236672 638985317 /nfs/dbraw/zinc/98/53/17/638985317.db2.gz OFQKRNXXRNVHPV-MSOLQXFVSA-N 0 3 286.419 3.200 20 30 CGEDHN CC(C)CN(Cc1cccc(Cl)c1)C[C@H](O)CC#N ZINC000931105228 639112629 /nfs/dbraw/zinc/11/26/29/639112629.db2.gz XPYXFAMQZAUPRD-OAHLLOKOSA-N 0 3 280.799 3.073 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@H](C3CCC3)CC2)c1 ZINC000931506777 639161347 /nfs/dbraw/zinc/16/13/47/639161347.db2.gz CXKGLWBSQPNUON-KRWDZBQOSA-N 0 3 269.392 3.355 20 30 CGEDHN C=CCCCN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931793387 639206521 /nfs/dbraw/zinc/20/65/21/639206521.db2.gz BKIRUUXYCGFRNT-QGZVFWFLSA-N 0 3 267.376 3.323 20 30 CGEDHN N#CCCCN[C@@H]1CCOc2ccc(Br)cc21 ZINC000932209888 639297745 /nfs/dbraw/zinc/29/77/45/639297745.db2.gz FSWUMQBXMFGXHB-GFCCVEGCSA-N 0 3 295.180 3.166 20 30 CGEDHN Cn1nccc1[C@@H]1CCCN1CCCCC1(C#N)CCC1 ZINC000932263832 639304424 /nfs/dbraw/zinc/30/44/24/639304424.db2.gz XVMWTGFQSOGNAS-INIZCTEOSA-N 0 3 286.423 3.421 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](CC)c1cc(F)ccc1OC ZINC000932475727 639341035 /nfs/dbraw/zinc/34/10/35/639341035.db2.gz WDIIVDLHKBMXEJ-DZGCQCFKSA-N 0 3 281.371 3.202 20 30 CGEDHN N#CCCCN1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933655555 639476374 /nfs/dbraw/zinc/47/63/74/639476374.db2.gz JRNXTPUMBGZDCQ-QGZVFWFLSA-N 0 3 268.360 3.231 20 30 CGEDHN C=CCCCN(CC)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000934647454 639649016 /nfs/dbraw/zinc/64/90/16/639649016.db2.gz ZJEUPVYJHAMGDH-CYBMUJFWSA-N 0 3 285.391 3.422 20 30 CGEDHN N#Cc1ccc(CN[C@H](c2ccncc2)C2CC2)s1 ZINC000934700737 639660887 /nfs/dbraw/zinc/66/08/87/639660887.db2.gz WNNUDIJUFBFVSM-HNNXBMFYSA-N 0 3 269.373 3.256 20 30 CGEDHN C=C(C)c1cccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000934881106 639698879 /nfs/dbraw/zinc/69/88/79/639698879.db2.gz WHSVINNQVMCNBH-AWEZNQCLSA-N 0 3 299.418 3.492 20 30 CGEDHN C#CCNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191691244 640327197 /nfs/dbraw/zinc/32/71/97/640327197.db2.gz XZJYHIMBQLUMQT-UHFFFAOYSA-N 0 3 257.255 3.043 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCCC1 ZINC001017467583 640904000 /nfs/dbraw/zinc/90/40/00/640904000.db2.gz RCBBDLUXVYOPHW-CALCHBBNSA-N 0 3 288.435 3.128 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001006604182 640937007 /nfs/dbraw/zinc/93/70/07/640937007.db2.gz RVISRBCEKMWUIS-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009679395 640961659 /nfs/dbraw/zinc/96/16/59/640961659.db2.gz CPHMJWDCMLVGQX-CQSZACIVSA-N 0 3 290.407 3.173 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001015943912 640988473 /nfs/dbraw/zinc/98/84/73/640988473.db2.gz WMMFQZHZRQTGAB-KRWDZBQOSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)CC ZINC001018130397 641019345 /nfs/dbraw/zinc/01/93/45/641019345.db2.gz RYOBIGWBTGNFDZ-DFGXFYAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001018321018 641022025 /nfs/dbraw/zinc/02/20/25/641022025.db2.gz VEFJQMZTTJZTTH-BHYGNILZSA-N 0 3 290.451 3.064 20 30 CGEDHN CN(C)c1cccc(NC(C)(C)c2ccc(C#N)cc2)n1 ZINC001156430114 805691245 /nfs/dbraw/zinc/69/12/45/805691245.db2.gz QKZJWQCWIJSQQL-UHFFFAOYSA-N 0 3 280.375 3.366 20 30 CGEDHN C=CCN(c1ncccc1CN1CCCC1)C(C)(C)C ZINC001157585677 805840355 /nfs/dbraw/zinc/84/03/55/805840355.db2.gz OPAAMTBLEIDWKO-UHFFFAOYSA-N 0 3 273.424 3.468 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)C(C)C ZINC001157668863 805850593 /nfs/dbraw/zinc/85/05/93/805850593.db2.gz OEXVZBHBAWWJKT-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(=C)C ZINC001158363220 805944498 /nfs/dbraw/zinc/94/44/98/805944498.db2.gz BSWXVKVEPBZUAO-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC001158385740 805948578 /nfs/dbraw/zinc/94/85/78/805948578.db2.gz OBRCCMDUHHABPL-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN N#Cc1cc(Cc2ccccc2)sc1N=C1CCCNC1 ZINC001159130133 806046157 /nfs/dbraw/zinc/04/61/57/806046157.db2.gz MINRDCUHCQITEM-UHFFFAOYSA-N 0 3 295.411 3.500 20 30 CGEDHN N#Cc1c2ccccc2sc1NC1=CNCCC1 ZINC001159248068 806065243 /nfs/dbraw/zinc/06/52/43/806065243.db2.gz DCDIANTUKJGMSK-UHFFFAOYSA-N 0 3 255.346 3.410 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](c1ccncc1)c1ccccc1C ZINC001252588998 806078711 /nfs/dbraw/zinc/07/87/11/806078711.db2.gz IWYODRZQHBVGCA-HKUYNNGSSA-N 0 3 296.414 3.396 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1)c1ccncc1 ZINC001252614480 806089621 /nfs/dbraw/zinc/08/96/21/806089621.db2.gz KHPPQYUMVQNHMT-MSOLQXFVSA-N 0 3 282.387 3.088 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1CCN(C2CCC2)CC1 ZINC001253226971 806183980 /nfs/dbraw/zinc/18/39/80/806183980.db2.gz DFDQCYLWAZNQPS-GOSISDBHSA-N 0 3 294.483 3.044 20 30 CGEDHN C=CCC(CC=C)C(=O)NCCC1=CCN(CC=C)CC1 ZINC001160228500 806237509 /nfs/dbraw/zinc/23/75/09/806237509.db2.gz KWNQYUQTLIIQQQ-UHFFFAOYSA-N 0 3 288.435 3.079 20 30 CGEDHN C=C[C@@H](O)CN1CCC(c2ccccc2Cl)CC1 ZINC001253586087 806265796 /nfs/dbraw/zinc/26/57/96/806265796.db2.gz IWXLIYNXUYYUSJ-CYBMUJFWSA-N 0 3 265.784 3.066 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1nc(C(C)C)ccc1C#N ZINC001160953050 806326096 /nfs/dbraw/zinc/32/60/96/806326096.db2.gz OMYLCMCSLYDCII-HNNXBMFYSA-N 0 3 284.407 3.139 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1ccc(-c2ccccc2)nn1 ZINC001160952803 806325731 /nfs/dbraw/zinc/32/57/31/806325731.db2.gz BNKBNYLBMYZPSG-INIZCTEOSA-N 0 3 294.402 3.206 20 30 CGEDHN CCCCCCCCCCN(C)C(=O)C1(N)CC1 ZINC001161220965 806358406 /nfs/dbraw/zinc/35/84/06/806358406.db2.gz GICQVQFHVXLCRG-UHFFFAOYSA-N 0 3 254.418 3.077 20 30 CGEDHN COC(=O)c1cccc([C@@H]2CCCN2[C@@H]2CC[C@H](C#N)C2)c1 ZINC001254675483 806483261 /nfs/dbraw/zinc/48/32/61/806483261.db2.gz FTFZNQSIMCECTN-XKQJLSEDSA-N 0 3 298.386 3.302 20 30 CGEDHN C[Si](C)(C)C#CNCc1cccc(OC(F)F)c1 ZINC001161984974 806496107 /nfs/dbraw/zinc/49/61/07/806496107.db2.gz FHKUOSHXORHWFW-UHFFFAOYSA-N 0 3 269.367 3.216 20 30 CGEDHN C=C[C@@H](COC)NCc1cc(C)c(OC(F)F)c(C)c1 ZINC001255013358 806524703 /nfs/dbraw/zinc/52/47/03/806524703.db2.gz MEAJXZMMBDUXNV-ZDUSSCGKSA-N 0 3 285.334 3.195 20 30 CGEDHN COC[C@@H](C)N(CCC#N)C1CCCCCCC1 ZINC001255575601 806676318 /nfs/dbraw/zinc/67/63/18/806676318.db2.gz BEXZTBYCPJYCCI-CQSZACIVSA-N 0 3 252.402 3.350 20 30 CGEDHN C=C(Br)CNCC(C)(C)c1ccccc1 ZINC000037935037 798880311 /nfs/dbraw/zinc/88/03/11/798880311.db2.gz LBJBEIRMUMHQME-UHFFFAOYSA-N 0 3 268.198 3.462 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000163362550 799082742 /nfs/dbraw/zinc/08/27/42/799082742.db2.gz NKRNWZPDJGILLG-LLVKDONJSA-N 0 3 267.756 3.079 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CC1 ZINC000176542573 799099351 /nfs/dbraw/zinc/09/93/51/799099351.db2.gz VPPLXGSCXVBTGC-MWLCHTKSSA-N 0 3 254.289 3.050 20 30 CGEDHN C=C(Cl)CNC(C)(C)COCc1ccccc1 ZINC000307262502 799215541 /nfs/dbraw/zinc/21/55/41/799215541.db2.gz XCZUVEWJAZGCIH-UHFFFAOYSA-N 0 3 253.773 3.324 20 30 CGEDHN C=CCCCCCCNCc1ccoc1C(=O)OC ZINC000312101587 799226703 /nfs/dbraw/zinc/22/67/03/799226703.db2.gz HVQVEDWJBWNJDU-UHFFFAOYSA-N 0 3 265.353 3.292 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(Br)nc1 ZINC000379599383 799351833 /nfs/dbraw/zinc/35/18/33/799351833.db2.gz JIGFTWZIAKFCAS-RKDXNWHRSA-N 0 3 255.159 3.069 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2occc2Br)C1 ZINC000393500280 799487379 /nfs/dbraw/zinc/48/73/79/799487379.db2.gz YEBIIUHRCGQWEB-UWVGGRQHSA-N 0 3 283.169 3.214 20 30 CGEDHN CCCCCCCNCc1cc(C(=O)OC)co1 ZINC000703764056 799929741 /nfs/dbraw/zinc/92/97/41/799929741.db2.gz XIYXGHQSLAXYRR-UHFFFAOYSA-N 0 3 253.342 3.126 20 30 CGEDHN C=CCN(C)CCN(CC)c1cc(-c2ccccc2)ncn1 ZINC001163606150 806791075 /nfs/dbraw/zinc/79/10/75/806791075.db2.gz UPOUSELBWVUNJH-UHFFFAOYSA-N 0 3 296.418 3.088 20 30 CGEDHN COC(C)(C)[C@H](C)NCc1ccc(C#N)cc1Cl ZINC000720209495 800253815 /nfs/dbraw/zinc/25/38/15/800253815.db2.gz WKLOEPWCBUQMPU-JTQLQIEISA-N 0 3 266.772 3.115 20 30 CGEDHN C=C1CCC(CN[C@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000724445415 800362525 /nfs/dbraw/zinc/36/25/25/800362525.db2.gz WVHYDYYAMPYFAV-LLVKDONJSA-N 0 3 294.420 3.327 20 30 CGEDHN C#CCN(CC#C)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256121270 806828444 /nfs/dbraw/zinc/82/84/44/806828444.db2.gz OMOOMGJCICWLJB-ZWKOTPCHSA-N 0 3 251.373 3.281 20 30 CGEDHN C#Cc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1 ZINC000809551604 800445539 /nfs/dbraw/zinc/44/55/39/800445539.db2.gz AVHMIILFIPODJF-UHFFFAOYSA-N 0 3 271.404 3.447 20 30 CGEDHN COc1cccc(C[C@H](C)NCC2(C#N)CCCC2)c1 ZINC001256141108 806832329 /nfs/dbraw/zinc/83/23/29/806832329.db2.gz NXXRSJOQMQWUPU-AWEZNQCLSA-N 0 3 272.392 3.300 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001024312404 800724856 /nfs/dbraw/zinc/72/48/56/800724856.db2.gz JGHFRYFPOOUWBX-KRWDZBQOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024503608 800730047 /nfs/dbraw/zinc/73/00/47/800730047.db2.gz ADTOQOJSRANJJK-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024548612 800730484 /nfs/dbraw/zinc/73/04/84/800730484.db2.gz BEVIMMBVKNGQEI-ARFHVFGLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027963482 800826159 /nfs/dbraw/zinc/82/61/59/800826159.db2.gz LVBAMORWUCMGLE-SJORKVTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033150735 800953929 /nfs/dbraw/zinc/95/39/29/800953929.db2.gz GYOUTWSYMFIQCX-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033927824 800988483 /nfs/dbraw/zinc/98/84/83/800988483.db2.gz QNRUECBSFOTAKK-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001038316329 801124972 /nfs/dbraw/zinc/12/49/72/801124972.db2.gz RRJXAHKHQXLMQD-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccccc1CCC ZINC001038500039 801126609 /nfs/dbraw/zinc/12/66/09/801126609.db2.gz COFVIKJYRWRYQD-INIZCTEOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001038914937 801136104 /nfs/dbraw/zinc/13/61/04/801136104.db2.gz SLOMVPCOVKIRID-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccccc1Cl ZINC001038945645 801137217 /nfs/dbraw/zinc/13/72/17/801137217.db2.gz TYEZACODMZLQDN-ZDUSSCGKSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC ZINC001039896647 801168579 /nfs/dbraw/zinc/16/85/79/801168579.db2.gz NZBDBBSUJVOPIV-SOLBZPMBSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CC)CCCC3)C[C@@H]21 ZINC001042292794 801204548 /nfs/dbraw/zinc/20/45/48/801204548.db2.gz XLMSIHFUCQZOPG-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C1CCC(C(=O)N[C@@]2(C)CCN(CC=C(C)C)C2)CC1 ZINC001046594347 801316479 /nfs/dbraw/zinc/31/64/79/801316479.db2.gz GTTGXVNLGUTHAY-SFHVURJKSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001046860974 801329791 /nfs/dbraw/zinc/32/97/91/801329791.db2.gz RABGJSXEBVFFKX-QAPCUYQASA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049849266 801389148 /nfs/dbraw/zinc/38/91/48/801389148.db2.gz RTUKKKSPCSGMNL-RYQLBKOJSA-N 0 3 298.430 3.041 20 30 CGEDHN C[C@@H]1C[C@@H](NC2=CC(=O)CCC2)CCN1Cc1ccccc1 ZINC001256524006 806909699 /nfs/dbraw/zinc/90/96/99/806909699.db2.gz RUUUQVNLTPLLDU-QAPCUYQASA-N 0 3 298.430 3.266 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2cc(C)cs2)CC[C@@H]1C ZINC001071476381 801538567 /nfs/dbraw/zinc/53/85/67/801538567.db2.gz FZUYRXMXXFMNSI-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C23CCC(CC2)C3)CC[C@H]1C ZINC001071612836 801542714 /nfs/dbraw/zinc/54/27/14/801542714.db2.gz NZZYVFGQUXQBSH-JBCIKUTRSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594576 801696295 /nfs/dbraw/zinc/69/62/95/801696295.db2.gz JYUNFELJRFCQGS-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085909439 801709044 /nfs/dbraw/zinc/70/90/44/801709044.db2.gz JQVXPGLDOHCECQ-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001086181239 801722673 /nfs/dbraw/zinc/72/26/73/801722673.db2.gz ARBXOCHMDVRPIC-RZFFKMDDSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001086469604 801729122 /nfs/dbraw/zinc/72/91/22/801729122.db2.gz PQHUYNPCPVWLAY-ZQDZILKHSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1CC ZINC001087660461 801760438 /nfs/dbraw/zinc/76/04/38/801760438.db2.gz LGFNVCUWHVOOCW-JKSUJKDBSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(CC)CC2)C1 ZINC001088376389 801788647 /nfs/dbraw/zinc/78/86/47/801788647.db2.gz FMRPJTACUAGNNG-AWEZNQCLSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC=CCC1)C2 ZINC001097653691 801901528 /nfs/dbraw/zinc/90/15/28/801901528.db2.gz OJAGESIOIJPZJT-VQHPVUNQSA-N 0 3 288.435 3.030 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(CC)CC ZINC001098921918 801921553 /nfs/dbraw/zinc/92/15/53/801921553.db2.gz LTAZMZZHIXXKBI-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C=C)CC ZINC001099188429 801932068 /nfs/dbraw/zinc/93/20/68/801932068.db2.gz FZAPAVVFQWQKHJ-HZPDHXFCSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C\CC)C1 ZINC001102733929 802019170 /nfs/dbraw/zinc/01/91/70/802019170.db2.gz CCTZUGBPHBQCQR-OLWKXOERSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C=C(\C)CC)C[C@H]1C ZINC001104160321 802045635 /nfs/dbraw/zinc/04/56/35/802045635.db2.gz QRKGWNQHBKXHGT-OSEPDQNXSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001109779936 802125428 /nfs/dbraw/zinc/12/54/28/802125428.db2.gz BUPOEGHFWQGVAE-NCOADZHNSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=C)C ZINC001110592943 802144547 /nfs/dbraw/zinc/14/45/47/802144547.db2.gz AKNGULCGTGRERB-ZACQAIPSSA-N 0 3 288.435 3.052 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C(CC)CC)C2 ZINC001110748395 802146528 /nfs/dbraw/zinc/14/65/28/802146528.db2.gz ATIBXKYFPUPLHD-SVGFKBNWSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001113245837 802208408 /nfs/dbraw/zinc/20/84/08/802208408.db2.gz AABIEPSSNXQPGP-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCCCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001113282299 802212851 /nfs/dbraw/zinc/21/28/51/802212851.db2.gz VPNUKRVTNWSCDE-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C#CCN(C[C@H](O)c1ccccc1C(F)(F)F)CC1CC1 ZINC001116366769 802336904 /nfs/dbraw/zinc/33/69/04/802336904.db2.gz WAAVZADFZLFEAU-HNNXBMFYSA-N 0 3 297.320 3.084 20 30 CGEDHN Cc1c([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC001116478133 802362098 /nfs/dbraw/zinc/36/20/98/802362098.db2.gz XAVPDDQLMNARSL-KZULUSFZSA-N 0 3 294.402 3.328 20 30 CGEDHN C=CCO[C@@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC001116555682 802377462 /nfs/dbraw/zinc/37/74/62/802377462.db2.gz TXRNDQVUGZWPKU-MJSXRHKHSA-N 0 3 261.340 3.116 20 30 CGEDHN CN(Cc1cc2ccccc2[nH]1)C[C@H](O)CC1(C#N)CCC1 ZINC001119435332 802664028 /nfs/dbraw/zinc/66/40/28/802664028.db2.gz OQIBRHLZHKDXQE-MRXNPFEDSA-N 0 3 297.402 3.045 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CC ZINC001122036105 802858041 /nfs/dbraw/zinc/85/80/41/802858041.db2.gz NULUYXPROUNSIF-SJORKVTESA-N 0 3 286.419 3.034 20 30 CGEDHN C[C@H](CC#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC001122422199 802869953 /nfs/dbraw/zinc/86/99/53/802869953.db2.gz XJLOQDCKLUVDDD-CQSZACIVSA-N 0 3 286.375 3.131 20 30 CGEDHN CN(Cc1ccc(C2=CC[C@H](C#N)CC2)nc1)C1CC1 ZINC001243797951 803016040 /nfs/dbraw/zinc/01/60/40/803016040.db2.gz QDGFQNPIQJZPSN-ZDUSSCGKSA-N 0 3 267.376 3.383 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131817387 803348170 /nfs/dbraw/zinc/34/81/70/803348170.db2.gz MLSPBQRREDPLJM-LSDHHAIUSA-N 0 3 266.429 3.112 20 30 CGEDHN C#CCCN1C[C@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132256356 803388403 /nfs/dbraw/zinc/38/84/03/803388403.db2.gz MQAASRRMUKNBFS-DOTOQJQBSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001133382893 803472611 /nfs/dbraw/zinc/47/26/11/803472611.db2.gz CMSFBOLDJPABAZ-DYVFJYSZSA-N 0 3 292.398 3.195 20 30 CGEDHN N#CCc1ccccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245424141 803733370 /nfs/dbraw/zinc/73/33/70/803733370.db2.gz KHSKCEODLCRAGE-KRWDZBQOSA-N 0 3 282.387 3.021 20 30 CGEDHN COc1ccc(CN(CC2CC2)C(C)C)c(C#N)c1 ZINC001137703150 803761151 /nfs/dbraw/zinc/76/11/51/803761151.db2.gz FGJCVULTLZLDCM-UHFFFAOYSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2cc(C(=O)OC)ccc12 ZINC001138266153 803887069 /nfs/dbraw/zinc/88/70/69/803887069.db2.gz JBGCGYJMCDSPOI-UHFFFAOYSA-N 0 3 284.359 3.129 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(F)c(OC)c(F)c1 ZINC001138425365 803930851 /nfs/dbraw/zinc/93/08/51/803930851.db2.gz PSCVUJWKVDERRF-UHFFFAOYSA-N 0 3 255.308 3.371 20 30 CGEDHN COc1c(C)cc(CN2CCC[C@@H](C#N)CC2)cc1C ZINC001138428697 803932310 /nfs/dbraw/zinc/93/23/10/803932310.db2.gz PZBPPIDUSPHTND-OAHLLOKOSA-N 0 3 272.392 3.438 20 30 CGEDHN CN(C)c1ccc(CN(C)Cc2cccc(C#N)c2)s1 ZINC001138493301 803951653 /nfs/dbraw/zinc/95/16/53/803951653.db2.gz WFEVMBSTKKLBLA-UHFFFAOYSA-N 0 3 285.416 3.318 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c1[O-] ZINC001138625442 803982327 /nfs/dbraw/zinc/98/23/27/803982327.db2.gz LCMFSSPSWXVZEY-GOSISDBHSA-N 0 3 289.419 3.104 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c1[O-] ZINC001138625442 803982333 /nfs/dbraw/zinc/98/23/33/803982333.db2.gz LCMFSSPSWXVZEY-GOSISDBHSA-N 0 3 289.419 3.104 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCc3cc(O)ccc3C2)c1[O-] ZINC001138626585 803983655 /nfs/dbraw/zinc/98/36/55/803983655.db2.gz KZPAEHCLBXIDHU-UHFFFAOYSA-N 0 3 295.382 3.385 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCc3cc(O)ccc3C2)c1[O-] ZINC001138626585 803983662 /nfs/dbraw/zinc/98/36/62/803983662.db2.gz KZPAEHCLBXIDHU-UHFFFAOYSA-N 0 3 295.382 3.385 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC[C@H](OC)C1 ZINC001138663372 803996960 /nfs/dbraw/zinc/99/69/60/803996960.db2.gz UEBOXAADTWKKNB-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)COc1ccccc1CN1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001138667428 803999945 /nfs/dbraw/zinc/99/99/45/803999945.db2.gz XCKLTLABFMEVHL-WBVHZDCISA-N 0 3 299.414 3.443 20 30 CGEDHN COc1ccc2c(c1)c(CN1CCC(C)(C#N)CC1)cn2C ZINC001139147022 804138957 /nfs/dbraw/zinc/13/89/57/804138957.db2.gz GCYNWSDDYROASH-UHFFFAOYSA-N 0 3 297.402 3.313 20 30 CGEDHN Cc1cccc2[nH]cc(CN3CCC4SC(=O)C=C4C3)c21 ZINC001139196123 804157871 /nfs/dbraw/zinc/15/78/71/804157871.db2.gz ZXIYNBJNTFMRMJ-HNNXBMFYSA-N 0 3 298.411 3.250 20 30 CGEDHN COCC[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC001139527264 804202207 /nfs/dbraw/zinc/20/22/07/804202207.db2.gz CVOBOSPSUJEZHN-OAHLLOKOSA-N 0 3 276.355 3.088 20 30 CGEDHN C=CCN(Cc1ccc(OC)nc1OC)C1CCCCC1 ZINC001139924805 804329314 /nfs/dbraw/zinc/32/93/14/804329314.db2.gz VICCPRLIHZYBRH-UHFFFAOYSA-N 0 3 290.407 3.420 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140353688 804424169 /nfs/dbraw/zinc/42/41/69/804424169.db2.gz PFOAPNDULMQRFP-UHFFFAOYSA-N 0 3 292.386 3.269 20 30 CGEDHN CC(C)(C)C1CCN(Cc2ccc(C#N)nc2)CC1 ZINC001140540386 804456470 /nfs/dbraw/zinc/45/64/70/804456470.db2.gz UJNMGVSBAGKASS-UHFFFAOYSA-N 0 3 257.381 3.211 20 30 CGEDHN CN(CCCc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140544148 804458015 /nfs/dbraw/zinc/45/80/15/804458015.db2.gz ZYEJYVCYDPZFCA-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CC[C@H](F)C3)CC2)cn1 ZINC001140545764 804458333 /nfs/dbraw/zinc/45/83/33/804458333.db2.gz KFDLIGMOLCSXIG-AWEZNQCLSA-N 0 3 273.355 3.057 20 30 CGEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)ccc1O ZINC001140576426 804465116 /nfs/dbraw/zinc/46/51/16/804465116.db2.gz VNIUNXKPIIKUST-UHFFFAOYSA-N 0 3 266.344 3.204 20 30 CGEDHN C=CCN(C)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001140596479 804471880 /nfs/dbraw/zinc/47/18/80/804471880.db2.gz BEKBMSKOJSMKIY-UHFFFAOYSA-N 0 3 290.407 3.329 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(Cl)c1 ZINC001140796881 804519165 /nfs/dbraw/zinc/51/91/65/804519165.db2.gz BVIZXQBUJRRKBU-CQSZACIVSA-N 0 3 293.819 3.423 20 30 CGEDHN C[C@@H](N)c1nc2ccccc2n1C1CCC(C#N)CC1 ZINC001256950436 807015187 /nfs/dbraw/zinc/01/51/87/807015187.db2.gz DLHCUYBNHZEGRI-PNESKVBLSA-N 0 3 268.364 3.311 20 30 CGEDHN N#Cc1c(N)sc(CN2C[C@@H]3CCCC[C@@H]3C2)c1Cl ZINC001141107033 804589986 /nfs/dbraw/zinc/58/99/86/804589986.db2.gz NKQAQBDUDTXJLK-AOOOYVTPSA-N 0 3 295.839 3.477 20 30 CGEDHN C#CC1CCN(Cc2coc3ccc(F)cc23)CC1 ZINC001141856321 804673784 /nfs/dbraw/zinc/67/37/84/804673784.db2.gz CAULDRIDWLNLIT-UHFFFAOYSA-N 0 3 257.308 3.417 20 30 CGEDHN C=CCN(Cc1ccc(C#N)c(SC)n1)C(C)(C)C ZINC001141945494 804681526 /nfs/dbraw/zinc/68/15/26/804681526.db2.gz AYDIOCTWEAVVGX-UHFFFAOYSA-N 0 3 275.421 3.462 20 30 CGEDHN N#Cc1coc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC001256806370 806981585 /nfs/dbraw/zinc/98/15/85/806981585.db2.gz ZRLZDMKVPDUMFN-WBVHZDCISA-N 0 3 282.343 3.161 20 30 CGEDHN N#Cc1ccc2c(CN3CC[C@@H]4OCCC[C@H]4C3)c[nH]c2c1 ZINC001142912006 804782916 /nfs/dbraw/zinc/78/29/16/804782916.db2.gz RGDQAZQWQPUSSV-KSSFIOAISA-N 0 3 295.386 3.040 20 30 CGEDHN N#Cc1ccc(C2CCC(N3CC[C@H](C#N)C3)CC2)cc1 ZINC001257018920 807029574 /nfs/dbraw/zinc/02/95/74/807029574.db2.gz HNIGUQOONCJDIV-FAEJEUNOSA-N 0 3 279.387 3.430 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](C(=O)c3ccccc3)C2)cc1 ZINC001144579067 805008335 /nfs/dbraw/zinc/00/83/35/805008335.db2.gz XEBIIDOMDKWPNH-IBGZPJMESA-N 0 3 289.378 3.373 20 30 CGEDHN N#Cc1ccn2ncc(CN3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC001249107064 805091130 /nfs/dbraw/zinc/09/11/30/805091130.db2.gz QBWQVXBBLXIAJK-NVXWUHKLSA-N 0 3 294.402 3.361 20 30 CGEDHN N#Cc1ccn2ncc(CN3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC001249107063 805092062 /nfs/dbraw/zinc/09/20/62/805092062.db2.gz QBWQVXBBLXIAJK-DOTOQJQBSA-N 0 3 294.402 3.361 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CCCCCC(C)C)C2)C1 ZINC001148390370 805177755 /nfs/dbraw/zinc/17/77/55/805177755.db2.gz DZIXWCFZJPEMSH-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C[C@H]1COCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016336 807027849 /nfs/dbraw/zinc/02/78/49/807027849.db2.gz AFCOJEPVMINHLF-NNGSBXSVSA-N 0 3 284.403 3.305 20 30 CGEDHN C[C@@H](Cc1ccc(Br)cc1)N1CC(CC#N)C1 ZINC001257560776 807197346 /nfs/dbraw/zinc/19/73/46/807197346.db2.gz MBBJIQFDIJWSJX-NSHDSACASA-N 0 3 293.208 3.226 20 30 CGEDHN C=CCN1CCC[C@H]1c1ccc(NCC(C)=O)cc1 ZINC001167631514 807220290 /nfs/dbraw/zinc/22/02/90/807220290.db2.gz CQSZOQVDXATJJO-INIZCTEOSA-N 0 3 258.365 3.010 20 30 CGEDHN C=C1C[C@@H]2CC(NCc3ncc(C#N)s3)C[C@H](C1)C2 ZINC001257890680 807241480 /nfs/dbraw/zinc/24/14/80/807241480.db2.gz VGKKHGJCJCLUJM-FUNVUKJBSA-N 0 3 273.405 3.239 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCO[C@H](COC)C1 ZINC001258049516 807275357 /nfs/dbraw/zinc/27/53/57/807275357.db2.gz JULPCABERVUVQL-CABCVRRESA-N 0 3 257.418 3.083 20 30 CGEDHN CCCCCCCCC[C@H](C)N[C@@H]1C=CS(=O)(=O)C1 ZINC001258229034 807377427 /nfs/dbraw/zinc/37/74/27/807377427.db2.gz LTVCYBMOMTZGRW-LSDHHAIUSA-N 0 3 287.469 3.416 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001168354899 807390466 /nfs/dbraw/zinc/39/04/66/807390466.db2.gz RCBPLVWESVOSQS-GFCCVEGCSA-N 0 3 298.858 3.051 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)NCc1cc(C#N)co1 ZINC001168475501 807430899 /nfs/dbraw/zinc/43/08/99/807430899.db2.gz YVLWUADMITYPRX-LLVKDONJSA-N 0 3 258.296 3.011 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)N1CCC[C@@H](CC#N)C1 ZINC001168492380 807434364 /nfs/dbraw/zinc/43/43/64/807434364.db2.gz RBPWRLZXYFQAJB-KGLIPLIRSA-N 0 3 260.356 3.382 20 30 CGEDHN CCCCC[C@H](CC)NCc1ncc(C#N)s1 ZINC001258439205 807451915 /nfs/dbraw/zinc/45/19/15/807451915.db2.gz SFPRFFNDZJAHMW-NSHDSACASA-N 0 3 251.399 3.463 20 30 CGEDHN N#CC[C@H]1CCCN([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168733904 807498447 /nfs/dbraw/zinc/49/84/47/807498447.db2.gz DDRBKMWZNVDSBY-TZMCWYRMSA-N 0 3 274.795 3.433 20 30 CGEDHN C[C@H]1C[C@H](NCc2ncc(C#N)s2)CC(C)(C)C1 ZINC001258689419 807545976 /nfs/dbraw/zinc/54/59/76/807545976.db2.gz GBVJYMZUGVYBNA-QWRGUYRKSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCC[C@H](C)N1CC2(CCN2Cc2ccccc2)C1 ZINC001258733429 807579629 /nfs/dbraw/zinc/57/96/29/807579629.db2.gz DOZLYSMZMTWFTN-INIZCTEOSA-N 0 3 270.420 3.301 20 30 CGEDHN CC[C@@H](Cc1ccccc1)NCc1ncc(C#N)s1 ZINC001258839774 807652368 /nfs/dbraw/zinc/65/23/68/807652368.db2.gz JUOSFMIAACCBRL-ZDUSSCGKSA-N 0 3 271.389 3.126 20 30 CGEDHN COc1ccccc1C[C@@H](C)NC1(CC#N)CCCC1 ZINC001258886110 807665044 /nfs/dbraw/zinc/66/50/44/807665044.db2.gz CHMWZTANINPYRN-CQSZACIVSA-N 0 3 272.392 3.442 20 30 CGEDHN CN1CCCC[C@@H]1c1ccc(NCC(C)(C)S)nc1 ZINC001170305332 807823033 /nfs/dbraw/zinc/82/30/33/807823033.db2.gz WSFSRRWPXICLMD-CYBMUJFWSA-N 0 3 279.453 3.359 20 30 CGEDHN CN(C)Cc1ccccc1NC1=CC[C@H](C#N)CC1 ZINC001212864544 815165349 /nfs/dbraw/zinc/16/53/49/815165349.db2.gz ZOWLXIBAWOEXGC-ZDUSSCGKSA-N 0 3 255.365 3.368 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H](C)c1cscn1 ZINC001171180553 808002201 /nfs/dbraw/zinc/00/22/01/808002201.db2.gz BBTSHXIOYZIJKG-RYUDHWBXSA-N 0 3 271.389 3.297 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H]1COc2ccc(F)cc21 ZINC001171190062 808004693 /nfs/dbraw/zinc/00/46/93/808004693.db2.gz PGLZCSCKGUXFEM-YVEFUNNKSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCCCN1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001264176651 808042804 /nfs/dbraw/zinc/04/28/04/808042804.db2.gz JUKXMKMOXVPUIJ-NEPJUHHUSA-N 0 3 296.411 3.046 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001264740141 808090398 /nfs/dbraw/zinc/09/03/98/808090398.db2.gz GFMAHYBGMVWRQF-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001265085242 808108587 /nfs/dbraw/zinc/10/85/87/808108587.db2.gz CHLFTTLPNIAXDU-KGLIPLIRSA-N 0 3 298.858 3.288 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001265705857 808172375 /nfs/dbraw/zinc/17/23/75/808172375.db2.gz NWLKGIFFOMSWLI-TXKQXAOOSA-N 0 3 298.858 3.168 20 30 CGEDHN CC[C@@H](C)OCC[C@H](C)NC1(CC#N)CCCC1 ZINC001172337452 808239468 /nfs/dbraw/zinc/23/94/68/808239468.db2.gz KJHAENLZHLUADB-UONOGXRCSA-N 0 3 252.402 3.396 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)[C@H](C)c1ccccc1 ZINC001266306614 808239610 /nfs/dbraw/zinc/23/96/10/808239610.db2.gz ZIQSUAHLDDENFX-OAHLLOKOSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)CC ZINC001266496661 808276909 /nfs/dbraw/zinc/27/69/09/808276909.db2.gz VHPUTYCQOQTJDU-YESZJQIVSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001266836988 808322329 /nfs/dbraw/zinc/32/23/29/808322329.db2.gz GPEVOHDKJOMLQC-HOTGVXAUSA-N 0 3 280.456 3.360 20 30 CGEDHN C#CCCCCC(=O)NC[C@@H]1CCCCN1CC=C(C)C ZINC001266839903 808322662 /nfs/dbraw/zinc/32/26/62/808322662.db2.gz LDUOFUMRBLZHJX-KRWDZBQOSA-N 0 3 290.451 3.117 20 30 CGEDHN COc1cc2c(cc1OC)CN([C@H](C)CCCC#N)CC2 ZINC001172506887 808362316 /nfs/dbraw/zinc/36/23/16/808362316.db2.gz LGTVIAYWACXPJN-CYBMUJFWSA-N 0 3 288.391 3.144 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001267328487 808415900 /nfs/dbraw/zinc/41/59/00/808415900.db2.gz XUESYXYKNJTSMD-MAUKXSAKSA-N 0 3 292.467 3.360 20 30 CGEDHN CC#CCNCCN(C)C(=O)CC(C)(C)C1CCCCC1 ZINC001267455983 808429672 /nfs/dbraw/zinc/42/96/72/808429672.db2.gz JBTYHRUGDPCPHE-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN CC(C)OC(=O)CC[C@H](C)N(CCC#N)C1CCCC1 ZINC001172758508 808432427 /nfs/dbraw/zinc/43/24/27/808432427.db2.gz APFJIRKTBAJGGE-AWEZNQCLSA-N 0 3 280.412 3.265 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001267750232 808482385 /nfs/dbraw/zinc/48/23/85/808482385.db2.gz ZXKQIZFMCSPOKG-SJLPKXTDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H](C)CC(C)C)C1 ZINC001267778227 808490766 /nfs/dbraw/zinc/49/07/66/808490766.db2.gz YAYGXVNYWJUBAA-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(C)(C#N)CC1 ZINC001173231270 808542692 /nfs/dbraw/zinc/54/26/92/808542692.db2.gz ALVKPOLFTBNNIJ-CYBMUJFWSA-N 0 3 287.363 3.151 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001268148654 808550278 /nfs/dbraw/zinc/55/02/78/808550278.db2.gz IYBIPXWWUDVIIW-ZIAGYGMSSA-N 0 3 298.858 3.146 20 30 CGEDHN C=CCOC1CCC(N2Cc3cnc(C)cc3C2)CC1 ZINC001173323024 808611072 /nfs/dbraw/zinc/61/10/72/808611072.db2.gz BHJPWGJVRLOAPW-UHFFFAOYSA-N 0 3 272.392 3.219 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001268920277 808635510 /nfs/dbraw/zinc/63/55/10/808635510.db2.gz MMAMXCICLQBMLE-MQMHXKEQSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C[C@H](C(=O)N[C@H]1CCN(CC=C(C)C)C1)c1ccccc1 ZINC001269091891 808647068 /nfs/dbraw/zinc/64/70/68/808647068.db2.gz BNXXXIUHBLAGRA-ROUUACIJSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001269096878 808647578 /nfs/dbraw/zinc/64/75/78/808647578.db2.gz GGQIWPVUMTTZKY-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN CC(C)n1ncc(C#N)c1Nc1ccccc1CN(C)C ZINC001173930086 808769114 /nfs/dbraw/zinc/76/91/14/808769114.db2.gz PQRLFHPRIKCNAC-UHFFFAOYSA-N 0 3 283.379 3.141 20 30 CGEDHN COc1cccc(C#N)c1Nc1ccccc1CN(C)C ZINC001173932853 808771597 /nfs/dbraw/zinc/77/15/97/808771597.db2.gz ZXRIIFHGTKRXPC-UHFFFAOYSA-N 0 3 281.359 3.372 20 30 CGEDHN CCCCCCC[C@H](C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001272293606 808804184 /nfs/dbraw/zinc/80/41/84/808804184.db2.gz KLEDKWXDAQDVPW-HRCADAONSA-N 0 3 280.456 3.146 20 30 CGEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(C)c(C)c2)C1=O ZINC001272988251 808830220 /nfs/dbraw/zinc/83/02/20/808830220.db2.gz OQJGMZHRSWMLJH-LJQANCHMSA-N 0 3 298.430 3.056 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](CC)CCCC)CC1 ZINC001273394364 808842162 /nfs/dbraw/zinc/84/21/62/808842162.db2.gz YMIDIETWXZVLNJ-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001273466485 808846242 /nfs/dbraw/zinc/84/62/42/808846242.db2.gz PGHZVYWYKPCMFR-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)CCCCC(C)(C)C)C[C@@H]1C ZINC001274623889 808880435 /nfs/dbraw/zinc/88/04/35/808880435.db2.gz NTAINPUYGXYKGB-JKSUJKDBSA-N 0 3 292.467 3.195 20 30 CGEDHN C#Cc1ccc(Nc2ccnc(C(C)(C)C)c2)cn1 ZINC001213164290 815248539 /nfs/dbraw/zinc/24/85/39/815248539.db2.gz MZBIRZIVMRXZRB-UHFFFAOYSA-N 0 3 251.333 3.499 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2CC)C1 ZINC001277040498 809056068 /nfs/dbraw/zinc/05/60/68/809056068.db2.gz VNXXQKUNWLDORV-KBUPBQIOSA-N 0 3 298.858 3.050 20 30 CGEDHN Cc1cnccc1Nc1ccc(C#N)c(Cl)c1F ZINC001174538319 809069620 /nfs/dbraw/zinc/06/96/20/809069620.db2.gz FEDGSYJOGWUJJD-UHFFFAOYSA-N 0 3 261.687 3.220 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)CC2=CCCCC2)CC1 ZINC001278039245 809112795 /nfs/dbraw/zinc/11/27/95/809112795.db2.gz IYVHSCAMEHZFND-UHFFFAOYSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)C2(CC)CCCC2)C1 ZINC001282065890 809229145 /nfs/dbraw/zinc/22/91/45/809229145.db2.gz GRCKVZKICOAFTQ-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001282741369 809261377 /nfs/dbraw/zinc/26/13/77/809261377.db2.gz POOIMSXUALXPKZ-CQSZACIVSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)C(CC)CC)C(C)(C)C1 ZINC001282812653 809263598 /nfs/dbraw/zinc/26/35/98/809263598.db2.gz PBNVZODUIIXVIC-GOEBONIOSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCCCC(=O)N[C@]12CCC[C@@H]1N(C[C@H](F)CC)CC2 ZINC001284070327 809295709 /nfs/dbraw/zinc/29/57/09/809295709.db2.gz SKXJAUOFRKCCMP-VYDXJSESSA-N 0 3 296.430 3.204 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCCC)[C@H]1C ZINC001284118535 809296480 /nfs/dbraw/zinc/29/64/80/809296480.db2.gz JWKYPQKGCUFURW-HUUCEWRRSA-N 0 3 266.429 3.112 20 30 CGEDHN CC#CCN1CCC([C@@H](C)NC(=O)CC[C@@H](C)CC)CC1 ZINC001284700185 809315321 /nfs/dbraw/zinc/31/53/21/809315321.db2.gz PPSIDJCGYPSJAF-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001177309927 809793286 /nfs/dbraw/zinc/79/32/86/809793286.db2.gz KTIFBNJKZUDHGQ-TZMCWYRMSA-N 0 3 286.847 3.051 20 30 CGEDHN C(#Cc1ccccc1)CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001181869471 810077801 /nfs/dbraw/zinc/07/78/01/810077801.db2.gz CGXCRWPJCFJWQV-MSOLQXFVSA-N 0 3 251.373 3.159 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190338249 810621946 /nfs/dbraw/zinc/62/19/46/810621946.db2.gz ZYEHLLQCRDWRRN-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1[O-] ZINC001197002624 811388814 /nfs/dbraw/zinc/38/88/14/811388814.db2.gz CGQOXYLJEILMDF-JTQLQIEISA-N 0 3 258.346 3.176 20 30 CGEDHN C#CCN(C[C@H](OC)c1ccc(F)cc1)C(C)(C)C ZINC001197937920 811465935 /nfs/dbraw/zinc/46/59/35/811465935.db2.gz UCDOHHOSMLPVFE-HNNXBMFYSA-N 0 3 263.356 3.247 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001198304724 811491450 /nfs/dbraw/zinc/49/14/50/811491450.db2.gz ZWQGPAJJSVKOIN-KRWDZBQOSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCC[C@@H]1CCCN1Cc1cn(C)nc1C(F)F ZINC001198406265 811499198 /nfs/dbraw/zinc/49/91/98/811499198.db2.gz HUNORFNCNZTPIH-GFCCVEGCSA-N 0 3 269.339 3.288 20 30 CGEDHN C#C[C@@H]1CCCCN1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001198523981 811511962 /nfs/dbraw/zinc/51/19/62/811511962.db2.gz BHYFPHKDUWMVGO-KURKYZTESA-N 0 3 269.388 3.394 20 30 CGEDHN N#CCOc1ccc(CNCc2ccc3[nH]ccc3c2)cc1 ZINC001200292746 811670740 /nfs/dbraw/zinc/67/07/40/811670740.db2.gz JVDMDNNVQMMERN-UHFFFAOYSA-N 0 3 291.354 3.360 20 30 CGEDHN N#CCOc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC001200450707 811692081 /nfs/dbraw/zinc/69/20/81/811692081.db2.gz UCJMNRONXAGHBK-UHFFFAOYSA-N 0 3 291.354 3.360 20 30 CGEDHN CCC[C@H](C)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC001201554422 811902124 /nfs/dbraw/zinc/90/21/24/811902124.db2.gz XPXZYKHZACYQIX-AWEZNQCLSA-N 0 3 289.398 3.256 20 30 CGEDHN CCCCCCCCCCCN(C)CC(=O)NC ZINC001201630483 811924510 /nfs/dbraw/zinc/92/45/10/811924510.db2.gz AZPVTYYEHJQLEK-UHFFFAOYSA-N 0 3 256.434 3.195 20 30 CGEDHN CSCCCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001201700646 811940673 /nfs/dbraw/zinc/94/06/73/811940673.db2.gz WGYSTBMRVXFYID-UHFFFAOYSA-N 0 3 292.423 3.436 20 30 CGEDHN CCCCCCCN1CC2(C1)CN(c1ccccc1)C2=O ZINC001201787815 811965063 /nfs/dbraw/zinc/96/50/63/811965063.db2.gz ONORGIGLVFYDKR-UHFFFAOYSA-N 0 3 286.419 3.306 20 30 CGEDHN C=CCc1cc(CN[C@H](C)c2ccc[nH]2)cc(OC)c1O ZINC001201842466 811971630 /nfs/dbraw/zinc/97/16/30/811971630.db2.gz LEKQEXBDZQJBII-GFCCVEGCSA-N 0 3 286.375 3.308 20 30 CGEDHN C=CCn1cc(CNCC2CCC(C(C)(C)C)CC2)nn1 ZINC001202883851 812193506 /nfs/dbraw/zinc/19/35/06/812193506.db2.gz OREISJZUZBOPIH-UHFFFAOYSA-N 0 3 290.455 3.406 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203731938 812444881 /nfs/dbraw/zinc/44/48/81/812444881.db2.gz OCKSGBQADYMJQX-OAHLLOKOSA-N 0 3 273.401 3.078 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC001204767773 812729076 /nfs/dbraw/zinc/72/90/76/812729076.db2.gz DOHKWANXXJBJSD-UHFFFAOYSA-N 0 3 278.396 3.288 20 30 CGEDHN C#C[C@@H](CC)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001205714330 813058531 /nfs/dbraw/zinc/05/85/31/813058531.db2.gz ZGXZYQKVGDYDFM-RKTXRCNFSA-N 0 3 289.444 3.326 20 30 CGEDHN C#C[C@@H](CC)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001205714329 813059447 /nfs/dbraw/zinc/05/94/47/813059447.db2.gz ZGXZYQKVGDYDFM-QMCVQRASSA-N 0 3 289.444 3.326 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001206403418 813314758 /nfs/dbraw/zinc/31/47/58/813314758.db2.gz RIPHJHLUUVCAJN-SNVBAGLBSA-N 0 3 296.317 3.426 20 30 CGEDHN CN1CC=C(Nc2c(Cl)cc(Cl)cc2C#N)CC1 ZINC001208844758 813863515 /nfs/dbraw/zinc/86/35/15/813863515.db2.gz VGYICUIZALXSEG-UHFFFAOYSA-N 0 3 282.174 3.496 20 30 CGEDHN N#CC1(c2ccccc2)CCN(C[C@@H]2CCC=CO2)CC1 ZINC001208873244 813875703 /nfs/dbraw/zinc/87/57/03/813875703.db2.gz FBOHVYQQARREMA-KRWDZBQOSA-N 0 3 282.387 3.236 20 30 CGEDHN CCc1cc(NC2=CCN(C)CC2)cc(CC)c1C#N ZINC001208929725 813903421 /nfs/dbraw/zinc/90/34/21/813903421.db2.gz FCXYMFWGUHXNIG-UHFFFAOYSA-N 0 3 269.392 3.314 20 30 CGEDHN CCCCN(CCC#N)C[C@H]1CC[C@H](C(=O)OCC)CC1 ZINC001209000536 813914692 /nfs/dbraw/zinc/91/46/92/813914692.db2.gz DURREPLGMUGQIL-WKILWMFISA-N 0 3 294.439 3.372 20 30 CGEDHN C=CCCCN1CCN(c2ccc(F)cc2C)CC1 ZINC001209163278 813953917 /nfs/dbraw/zinc/95/39/17/813953917.db2.gz BGZJGHTXUOFVEE-UHFFFAOYSA-N 0 3 262.372 3.222 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001209187413 813959273 /nfs/dbraw/zinc/95/92/73/813959273.db2.gz CLGRYMYHHUZFBI-HZPDHXFCSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCCN1CCN(c2cccc(F)c2)CC1 ZINC001209208318 813968694 /nfs/dbraw/zinc/96/86/94/813968694.db2.gz QQHZUDSRJXDTID-UHFFFAOYSA-N 0 3 262.372 3.304 20 30 CGEDHN F[C@@H]1CNCC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217793868 815964899 /nfs/dbraw/zinc/96/48/99/815964899.db2.gz HGVMLOLRNJNZQV-HSLLHTKSSA-N 0 3 298.361 3.482 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)OC[C@@H]1COC(C)(C)N1 ZINC001217888906 815990247 /nfs/dbraw/zinc/99/02/47/815990247.db2.gz GZRZVTCOLFUJPS-UONOGXRCSA-N 0 3 291.391 3.054 20 30 CGEDHN N#Cc1c(Cl)cccc1O[C@@H]1CNCc2ccccc21 ZINC001218485598 816241190 /nfs/dbraw/zinc/24/11/90/816241190.db2.gz CZRJFJDCFWRWHR-MRXNPFEDSA-N 0 3 284.746 3.435 20 30 CGEDHN CCc1cc(C)c(C#N)c(O[C@H]2CNCc3ccccc32)n1 ZINC001218489304 816243410 /nfs/dbraw/zinc/24/34/10/816243410.db2.gz NYKREYBHFWRREW-KRWDZBQOSA-N 0 3 293.370 3.047 20 30 CGEDHN C[C@@H](c1ccccn1)N1CCC[C@H](OCC#CC2CC2)C1 ZINC001224849316 816893050 /nfs/dbraw/zinc/89/30/50/816893050.db2.gz BJXJLPKAQDSHPG-RDJZCZTQSA-N 0 3 284.403 3.037 20 30 CGEDHN N#Cc1ccc(O[C@H]2CN3CCC2CC3)cc1C(F)(F)F ZINC001226141102 817284084 /nfs/dbraw/zinc/28/40/84/817284084.db2.gz SDHFXIZVGAANIP-AWEZNQCLSA-N 0 3 296.292 3.050 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001226474507 817368238 /nfs/dbraw/zinc/36/82/38/817368238.db2.gz NQTFBWKTYAUIQX-ZIAGYGMSSA-N 0 3 298.858 3.358 20 30 CGEDHN C=CCc1ccc(O[C@@H]2CCCN(CC)C2)c(OC)c1 ZINC001227927046 817756824 /nfs/dbraw/zinc/75/68/24/817756824.db2.gz PGUSWWANWUAEKC-OAHLLOKOSA-N 0 3 275.392 3.287 20 30 CGEDHN CCCc1cc(C)nc(O[C@H]2CCN(C(C)C)C2)c1C#N ZINC001228599260 817949492 /nfs/dbraw/zinc/94/94/92/817949492.db2.gz BYHRHRPQXZRLFE-HNNXBMFYSA-N 0 3 287.407 3.076 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCC1CCCC1 ZINC001231122961 818036743 /nfs/dbraw/zinc/03/67/43/818036743.db2.gz QLMYWMFZTBAMNQ-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1ccccc1 ZINC001231123233 818037490 /nfs/dbraw/zinc/03/74/90/818037490.db2.gz ROXPXRCUIDWJMY-WBVHZDCISA-N 0 3 286.419 3.247 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001231171200 818050597 /nfs/dbraw/zinc/05/05/97/818050597.db2.gz YWJBFTSKIZKFOL-WMZOPIPTSA-N 0 3 298.430 3.173 20 30 CGEDHN CN(Cc1cc2c[nH]ccc-2n1)Cc1ccc(C#N)cc1 ZINC001232014020 818232363 /nfs/dbraw/zinc/23/23/63/818232363.db2.gz FUELUKBZHYOEFZ-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C=CCCN(Cc1ccccc1)Cc1cccc(N)n1 ZINC001233371295 818599854 /nfs/dbraw/zinc/59/98/54/818599854.db2.gz JHSSZMGDLUQWLI-UHFFFAOYSA-N 0 3 267.376 3.242 20 30 CGEDHN N#Cc1cccc(Cl)c1OC1CCN(C2CC2)CC1 ZINC001233546778 818638007 /nfs/dbraw/zinc/63/80/07/818638007.db2.gz BUFPLAYQTWKJEG-UHFFFAOYSA-N 0 3 276.767 3.217 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235509584 819112605 /nfs/dbraw/zinc/11/26/05/819112605.db2.gz MRQGCJVJGXFBDD-UHFFFAOYSA-N 0 3 288.782 3.342 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001235794507 819169523 /nfs/dbraw/zinc/16/95/23/819169523.db2.gz CYHFBPIKKGGVFS-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCc3ccc(N)cc3C2)c1[O-] ZINC001236232313 819393425 /nfs/dbraw/zinc/39/34/25/819393425.db2.gz LZRSRJYRRLFUNJ-UHFFFAOYSA-N 0 3 294.398 3.261 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCc3ccc(N)cc3C2)c1[O-] ZINC001236232313 819393434 /nfs/dbraw/zinc/39/34/34/819393434.db2.gz LZRSRJYRRLFUNJ-UHFFFAOYSA-N 0 3 294.398 3.261 20 30 CGEDHN C=CCOc1cccc(CN2CCc3c(N)cccc3C2)c1 ZINC001236365152 819435949 /nfs/dbraw/zinc/43/59/49/819435949.db2.gz FOMMWRQRCMIHBE-UHFFFAOYSA-N 0 3 294.398 3.392 20 30 CGEDHN N#CC1(c2ccccc2)CCN(Cc2cccc(N)c2)CC1 ZINC001237216504 819698892 /nfs/dbraw/zinc/69/88/92/819698892.db2.gz BYVQVMJRNZAJAR-UHFFFAOYSA-N 0 3 291.398 3.326 20 30 CGEDHN CN(CCc1ccccc1Cl)Cc1ccnc(C#N)c1 ZINC001237469974 819758726 /nfs/dbraw/zinc/75/87/26/819758726.db2.gz KKJZGLGYFIUTFR-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN CCCN(Cc1cc(C#N)c(F)cc1F)CC1CC1 ZINC001237533495 819773726 /nfs/dbraw/zinc/77/37/26/819773726.db2.gz XOVWLTSUECVYTP-UHFFFAOYSA-N 0 3 264.319 3.458 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN3CCC[C@H]3C#N)cc21 ZINC001237881858 819868704 /nfs/dbraw/zinc/86/87/04/819868704.db2.gz XBLKCWQONSWZOS-INIZCTEOSA-N 0 3 281.403 3.176 20 30 CGEDHN N#Cc1cc(CN2CCC3(C2)CCOCC3)ccc1Cl ZINC001238194977 819952878 /nfs/dbraw/zinc/95/28/78/819952878.db2.gz YDCHJQMPGMUALR-UHFFFAOYSA-N 0 3 290.794 3.214 20 30 CGEDHN C=CCCCCN(C)Cc1cnc(F)c(OC)c1 ZINC001238451887 820003597 /nfs/dbraw/zinc/00/35/97/820003597.db2.gz UPFIDBOOYOTFMR-UHFFFAOYSA-N 0 3 252.333 3.017 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1ccccc1OCC#N ZINC001243588326 823457754 /nfs/dbraw/zinc/45/77/54/823457754.db2.gz GZIKDXKDQYXMTL-DHZHZOJOSA-N 0 3 279.343 3.183 20 30 CGEDHN CCCCCCCNC(=O)Nc1cccc2c1CNC2 ZINC001239191435 820226838 /nfs/dbraw/zinc/22/68/38/820226838.db2.gz KLIDQKAPUROEKX-UHFFFAOYSA-N 0 3 275.396 3.382 20 30 CGEDHN CCCCCCCCCNC(=S)N1C[C@H](C)NC[C@@H]1C ZINC001239446381 820308637 /nfs/dbraw/zinc/30/86/37/820308637.db2.gz ZQKSMEMHDLKURE-GJZGRUSLSA-N 0 3 299.528 3.294 20 30 CGEDHN N#Cc1cc(-c2ccc3[nH]c(N)nc3c2)ccc1Cl ZINC001240403708 821023633 /nfs/dbraw/zinc/02/36/33/821023633.db2.gz SRBRTEFAGVLWOF-UHFFFAOYSA-N 0 3 268.707 3.337 20 30 CGEDHN N#Cc1cc(-c2ccc3nc(N)[nH]c3c2)ccc1Cl ZINC001240403708 821023638 /nfs/dbraw/zinc/02/36/38/821023638.db2.gz SRBRTEFAGVLWOF-UHFFFAOYSA-N 0 3 268.707 3.337 20 30 CGEDHN C=C(C)c1ccc(CN2CCN(C(C)C)CC2)cc1F ZINC001240837700 821362480 /nfs/dbraw/zinc/36/24/80/821362480.db2.gz QXBKJLQEUXXASR-UHFFFAOYSA-N 0 3 276.399 3.385 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H](OC(F)F)C1 ZINC001340988847 936422312 /nfs/dbraw/zinc/42/23/12/936422312.db2.gz DXLPFFQLZNSZHR-AWEZNQCLSA-N 0 3 294.345 3.379 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC001341190170 936430548 /nfs/dbraw/zinc/43/05/48/936430548.db2.gz BHLSAFVONJVKGC-JUWLWVHDSA-N 0 3 298.430 3.374 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC001342128313 936460425 /nfs/dbraw/zinc/46/04/25/936460425.db2.gz LOYUCWBGUYTQAQ-FMKPAKJESA-N 0 3 298.471 3.137 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001342256613 936463210 /nfs/dbraw/zinc/46/32/10/936463210.db2.gz SIVPEUNJQFQSON-LSDHHAIUSA-N 0 3 292.810 3.127 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001342256612 936463446 /nfs/dbraw/zinc/46/34/46/936463446.db2.gz SIVPEUNJQFQSON-HUUCEWRRSA-N 0 3 292.810 3.127 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001342923480 936483463 /nfs/dbraw/zinc/48/34/63/936483463.db2.gz DYZLJZTXECYJJW-OAGGEKHMSA-N 0 3 293.370 3.180 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001342925043 936483861 /nfs/dbraw/zinc/48/38/61/936483861.db2.gz QFQACAKNHXXAIH-KFWWJZLASA-N 0 3 293.370 3.036 20 30 CGEDHN C=C(CC)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC001348697578 936930972 /nfs/dbraw/zinc/93/09/72/936930972.db2.gz XNGWYARTANDHND-HNNXBMFYSA-N 0 3 292.448 3.094 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001345646291 926694907 /nfs/dbraw/zinc/69/49/07/926694907.db2.gz IVCZRJYBDRSMSE-XJKSGUPXSA-N 0 3 271.364 3.216 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001346096360 926698871 /nfs/dbraw/zinc/69/88/71/926698871.db2.gz PJYHALAPLGKQOE-WDEREUQCSA-N 0 3 291.782 3.220 20 30 CGEDHN C=CCN(CCNC(=O)C[C@@H]1CCCCC1(C)C)C1CC1 ZINC001481199512 926906998 /nfs/dbraw/zinc/90/69/98/926906998.db2.gz UAGHMGKYAOQRKV-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@@H](C(=O)NCCN(CC(=C)C)C1CC1)c1ccccc1 ZINC001481200504 926907025 /nfs/dbraw/zinc/90/70/25/926907025.db2.gz OIKJUMGDAOLTHC-GOSISDBHSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](F)C(C)C)c1ccccc1 ZINC001481369931 926969147 /nfs/dbraw/zinc/96/91/47/926969147.db2.gz UESZKAURCJVANI-JKSUJKDBSA-N 0 3 292.398 3.004 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001481725739 927076217 /nfs/dbraw/zinc/07/62/17/927076217.db2.gz AIKWASDWKLVBBN-QGZVFWFLSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1 ZINC001481772526 927085322 /nfs/dbraw/zinc/08/53/22/927085322.db2.gz HQYPRMAKAMCKNW-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@]1(C)CCC[C@@H]1C ZINC001483491223 927513412 /nfs/dbraw/zinc/51/34/12/927513412.db2.gz YNUFHXXNPWTISG-SWLSCSKDSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N(CC)CC)cc1 ZINC001357326595 937170604 /nfs/dbraw/zinc/17/06/04/937170604.db2.gz MEACZPPGHQQVGD-INIZCTEOSA-N 0 3 289.423 3.155 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)CCCC[C@@H](C)CC)C1 ZINC001484045309 927666564 /nfs/dbraw/zinc/66/65/64/927666564.db2.gz PUOZJAPMRPSILI-RDJZCZTQSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](CC)CCCCC)C1 ZINC001484070080 927669132 /nfs/dbraw/zinc/66/91/32/927669132.db2.gz BRHKHSNBLDFMFV-NVXWUHKLSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001484173494 927686641 /nfs/dbraw/zinc/68/66/41/927686641.db2.gz KDUXFRIWJBAOIQ-WMZOPIPTSA-N 0 3 294.483 3.463 20 30 CGEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC001484761974 927751429 /nfs/dbraw/zinc/75/14/29/927751429.db2.gz ZZJVXABYMPZXOR-MRXNPFEDSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2C1 ZINC001484874132 927763027 /nfs/dbraw/zinc/76/30/27/927763027.db2.gz GFDGZCNSIMZYEZ-KBXCAEBGSA-N 0 3 298.430 3.241 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(CCC)CCC1 ZINC001485065583 927797253 /nfs/dbraw/zinc/79/72/53/927797253.db2.gz MMUKGNOPFRGPMA-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)C(CC)CC ZINC001485060404 927803439 /nfs/dbraw/zinc/80/34/39/927803439.db2.gz CISIRIWAQSUPLS-ZBFHGGJFSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CC[C@@H]1N(CC[S@](=O)C(F)(F)F)CCCC1(C)C ZINC001473432128 937199232 /nfs/dbraw/zinc/19/92/32/937199232.db2.gz IVONEZNNLFKTKG-WLRWDXFRSA-N 0 3 297.386 3.322 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001485693775 927904001 /nfs/dbraw/zinc/90/40/01/927904001.db2.gz NLJHOGJYSULYHM-MGPQQGTHSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001493143201 928323954 /nfs/dbraw/zinc/32/39/54/928323954.db2.gz TUKSRSWXRMTILK-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H](C)C2CC2)CC1 ZINC001490623297 928381667 /nfs/dbraw/zinc/38/16/67/928381667.db2.gz KPNAGHRAWFGFAZ-OAHLLOKOSA-N 0 3 292.467 3.312 20 30 CGEDHN C#Cc1ccc(NC(=O)[C@@H](CC)N(CC)CC)c(Cl)c1 ZINC000885673651 928441385 /nfs/dbraw/zinc/44/13/85/928441385.db2.gz TZXFYTINXRUYKZ-OAHLLOKOSA-N 0 3 292.810 3.380 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2c(F)cccc2CC)C1 ZINC001321033906 928500050 /nfs/dbraw/zinc/50/00/50/928500050.db2.gz YZCQJMRSMQXUFY-AWEZNQCLSA-N 0 3 263.356 3.165 20 30 CGEDHN C#CCN(Cc1cc2cc(OC)ccc2o1)C(C)C ZINC001462629574 928796057 /nfs/dbraw/zinc/79/60/57/928796057.db2.gz NANWWINPTBRCGE-UHFFFAOYSA-N 0 3 257.333 3.285 20 30 CGEDHN C=C(CC)CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001460690144 937540367 /nfs/dbraw/zinc/54/03/67/937540367.db2.gz GZOZNKKEFGSTLU-KGLIPLIRSA-N 0 3 287.325 3.077 20 30 CGEDHN N#CC1(CCN2CC[C@H](c3cnccn3)C2)CCCCC1 ZINC001460860037 937549644 /nfs/dbraw/zinc/54/96/44/937549644.db2.gz PJNUHPZRIGZNJA-HNNXBMFYSA-N 0 3 284.407 3.130 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cnc(OC)c2ccccc12 ZINC001460904344 937551982 /nfs/dbraw/zinc/55/19/82/937551982.db2.gz GCJDDNFCBFMVKB-CQSZACIVSA-N 0 3 268.360 3.394 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001330068621 932034501 /nfs/dbraw/zinc/03/45/01/932034501.db2.gz BAYXOXDEWHMSFP-ZBFHGGJFSA-N 0 3 294.483 3.461 20 30 CGEDHN CCN1CC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227165340 932041470 /nfs/dbraw/zinc/04/14/70/932041470.db2.gz RLHLAEAPZABMIA-NSHDSACASA-N 0 3 284.281 3.050 20 30 CGEDHN CN1CCC=C(c2ccc(CC#N)c(C(F)(F)F)c2)C1 ZINC001241570407 932699110 /nfs/dbraw/zinc/69/91/10/932699110.db2.gz JORCJWVZSWHOEY-UHFFFAOYSA-N 0 3 280.293 3.490 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001316599107 932743673 /nfs/dbraw/zinc/74/36/73/932743673.db2.gz AOHBMJVBICFBJP-HUUCEWRRSA-N 0 3 290.407 3.089 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1CC/C=C\CCC ZINC001316602122 932745757 /nfs/dbraw/zinc/74/57/57/932745757.db2.gz SNEBHQFWSYWWEC-YDZSZYSISA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCCNCc1cc(Br)cnc1F ZINC001462180791 937623314 /nfs/dbraw/zinc/62/33/14/937623314.db2.gz RXZKOUXGTOYIBJ-UHFFFAOYSA-N 0 3 273.149 3.039 20 30 CGEDHN C=CCN(C)CCNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001492272286 932813854 /nfs/dbraw/zinc/81/38/54/932813854.db2.gz MKYXGUZQBOAMGD-GPANFISMSA-N 0 3 280.456 3.073 20 30 CGEDHN C=C1CC(C)(C(=O)NCCN(C)[C@H](C)c2ccccc2)C1 ZINC001492407124 932816901 /nfs/dbraw/zinc/81/69/01/932816901.db2.gz REMHTZCEDRGUGF-OAHLLOKOSA-N 0 3 286.419 3.152 20 30 CGEDHN CSCC(C)(C)NCC#Cc1cccc(Cl)c1 ZINC001308135512 933054838 /nfs/dbraw/zinc/05/48/38/933054838.db2.gz ZJHFMDCKXFKPOM-UHFFFAOYSA-N 0 3 267.825 3.423 20 30 CGEDHN C=CC[C@@H]1CCN1CCOc1ccccc1OCC ZINC001308141075 933057007 /nfs/dbraw/zinc/05/70/07/933057007.db2.gz PFTKEKBSUJADDT-CQSZACIVSA-N 0 3 261.365 3.115 20 30 CGEDHN C#CCCCCCCN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC001308784429 933176542 /nfs/dbraw/zinc/17/65/42/933176542.db2.gz IKHFWUUUKRGENI-SJORKVTESA-N 0 3 261.409 3.214 20 30 CGEDHN C#C[C@@H](N[C@@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC001308794681 933178238 /nfs/dbraw/zinc/17/82/38/933178238.db2.gz BHFFNUBHXBMMER-HZPDHXFCSA-N 0 3 276.811 3.088 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC3(CCC3)C2)cc1 ZINC001308807931 933180969 /nfs/dbraw/zinc/18/09/69/933180969.db2.gz DLTDCIUEMITMSW-UHFFFAOYSA-N 0 3 254.377 3.474 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccc(OCC)c(F)c2)C1 ZINC001308831250 933186006 /nfs/dbraw/zinc/18/60/06/933186006.db2.gz FTRXRHHXEXVONH-CQSZACIVSA-N 0 3 275.367 3.460 20 30 CGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001316985679 933505714 /nfs/dbraw/zinc/50/57/14/933505714.db2.gz MDSYSQDOLZVYLA-HNNXBMFYSA-N 0 3 292.423 3.363 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001317268368 933565963 /nfs/dbraw/zinc/56/59/63/933565963.db2.gz MQDFZNNVEYANLA-CQSZACIVSA-N 0 3 292.398 3.085 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C1(CCC)CC1)c1ccccc1 ZINC001317723595 933638321 /nfs/dbraw/zinc/63/83/21/933638321.db2.gz HWCOMOFDGXWEFM-INIZCTEOSA-N 0 3 286.419 3.200 20 30 CGEDHN C=CCN[C@H](CNC(=O)C1(C)CCCC1)c1ccccc1 ZINC001317721009 933638730 /nfs/dbraw/zinc/63/87/30/933638730.db2.gz APTHABPNTSRXTO-MRXNPFEDSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C=C(C)C)CCCC[C@@H]1C ZINC001318738986 933770553 /nfs/dbraw/zinc/77/05/53/933770553.db2.gz AFRVYDBXLNTJBB-BBRMVZONSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)/C(C)=C/CC)CCCC1 ZINC001319340503 933860866 /nfs/dbraw/zinc/86/08/66/933860866.db2.gz KVGHHRMWGJSFDU-KPKJPENVSA-N 0 3 284.831 3.114 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC001320055283 933988339 /nfs/dbraw/zinc/98/83/39/933988339.db2.gz MMFQMQFJXSMYRW-MRXNPFEDSA-N 0 3 288.435 3.065 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC001321242131 934168682 /nfs/dbraw/zinc/16/86/82/934168682.db2.gz UQKCLVRIJNMUHB-JQWIXIFHSA-N 0 3 289.297 3.437 20 30 CGEDHN C=CCCC(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001323404710 934395367 /nfs/dbraw/zinc/39/53/67/934395367.db2.gz AKNGDKOFYYQCRX-CYBMUJFWSA-N 0 3 290.382 3.091 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)=C(C)C ZINC001323693432 934418983 /nfs/dbraw/zinc/41/89/83/934418983.db2.gz NFISYCAJUWQUHT-SJORKVTESA-N 0 3 290.451 3.374 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1cc(C)c(OC)cc1C ZINC001324021111 934449333 /nfs/dbraw/zinc/44/93/33/934449333.db2.gz FLMLFELLIQNDEV-UONOGXRCSA-N 0 3 263.381 3.164 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001324960728 934876109 /nfs/dbraw/zinc/87/61/09/934876109.db2.gz JBFGMLVPDXOWSF-WMZOPIPTSA-N 0 3 294.483 3.463 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC001325619431 934920258 /nfs/dbraw/zinc/92/02/58/934920258.db2.gz GDNMIRDJFMMPMO-SCZZXKLOSA-N 0 3 289.206 3.427 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@@H](F)CC ZINC001325895189 934938219 /nfs/dbraw/zinc/93/82/19/934938219.db2.gz DHAMHKULPPOMBQ-XHSDSOJGSA-N 0 3 296.430 3.156 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001328099382 935117317 /nfs/dbraw/zinc/11/73/17/935117317.db2.gz UVDKOMWLWBPTLB-JKSUJKDBSA-N 0 3 294.483 3.461 20 30 CGEDHN CCOc1ccc(CN(C)[C@H](C)CCC#N)cc1OC ZINC001328597960 935151347 /nfs/dbraw/zinc/15/13/47/935151347.db2.gz KNKLZCYMKLRYBC-CYBMUJFWSA-N 0 3 276.380 3.218 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC001329575480 935229097 /nfs/dbraw/zinc/22/90/97/935229097.db2.gz TYHZYNSXBBBEOZ-JKSUJKDBSA-N 0 3 288.435 3.193 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001330204853 935276773 /nfs/dbraw/zinc/27/67/73/935276773.db2.gz WTKWYCHSSNUYIE-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001330502129 935291400 /nfs/dbraw/zinc/29/14/00/935291400.db2.gz NCJXNDLHURTAMC-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C1CCC(F)CC1)C(C)C ZINC001332722197 935483937 /nfs/dbraw/zinc/48/39/37/935483937.db2.gz GUAWIGMSFFCTKY-UHFFFAOYSA-N 0 3 298.446 3.260 20 30 CGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCCC[C@H]1C)C(C)C ZINC001332724662 935485367 /nfs/dbraw/zinc/48/53/67/935485367.db2.gz UMRVOFRDVUISPM-IAGOWNOFSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCN(C)CCN(C(=O)CC1CC(C)(C)C1)C(C)C ZINC001332725260 935485450 /nfs/dbraw/zinc/48/54/50/935485450.db2.gz ZSEKLUCHGJBJOG-UHFFFAOYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](c2ccccc2)CC1=O ZINC001333724856 936059457 /nfs/dbraw/zinc/05/94/57/936059457.db2.gz JQOFIAMWIIVAKE-KURKYZTESA-N 0 3 296.414 3.143 20 30 CGEDHN C=CCN1CCC(Nc2ccc3ccc(OC)cc3n2)CC1 ZINC001334933912 936122519 /nfs/dbraw/zinc/12/25/19/936122519.db2.gz ADAPKRJVVLZSMD-UHFFFAOYSA-N 0 3 297.402 3.306 20 30 CGEDHN C#Cc1ccc(CNCc2cccn2C2CC2)cc1 ZINC001336936661 936228772 /nfs/dbraw/zinc/22/87/72/936228772.db2.gz UMVAKOMLSHHONQ-UHFFFAOYSA-N 0 3 250.345 3.094 20 30 CGEDHN N#Cc1cc(CNCCOc2cccc(Cl)c2)cs1 ZINC001473948443 937831753 /nfs/dbraw/zinc/83/17/53/937831753.db2.gz ISSVTEHRDQPRRM-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001479909195 937929022 /nfs/dbraw/zinc/92/90/22/937929022.db2.gz YSOFHRLZPVQXJM-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001480333001 937936915 /nfs/dbraw/zinc/93/69/15/937936915.db2.gz VWAURDFFSBSVCD-QZTJIDSGSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC001493880982 937951671 /nfs/dbraw/zinc/95/16/71/937951671.db2.gz SVUGYXIEQHNUQD-KRWDZBQOSA-N 0 3 298.361 3.072 20 30 CGEDHN C=C/C(C)=C/CC(=O)N(CC)[C@H]1CCN(CC(=C)C)C1 ZINC001494910917 937957265 /nfs/dbraw/zinc/95/72/65/937957265.db2.gz QYNFBZBBALBBIX-AHQMPEJBSA-N 0 3 276.424 3.008 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC=CCC2)CCCC1 ZINC001495129980 937958238 /nfs/dbraw/zinc/95/82/38/937958238.db2.gz MPCLXOPFRFPKEO-CQSZACIVSA-N 0 3 296.842 3.114 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001499073176 937972441 /nfs/dbraw/zinc/97/24/41/937972441.db2.gz VJQTVGKUWQSHTG-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CC2CC(C)(C)C2)C1 ZINC001500518547 937977826 /nfs/dbraw/zinc/97/78/26/937977826.db2.gz COKBSCXCAXGPTN-SFHVURJKSA-N 0 3 292.467 3.217 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)CC2CC(C)(C)C2)C1 ZINC001500518546 937977931 /nfs/dbraw/zinc/97/79/31/937977931.db2.gz COKBSCXCAXGPTN-GOSISDBHSA-N 0 3 292.467 3.217 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001506733611 937991575 /nfs/dbraw/zinc/99/15/75/937991575.db2.gz ZYNYRXIEWADSOC-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001517065061 938011009 /nfs/dbraw/zinc/01/10/09/938011009.db2.gz SBWOEEYLPHPTQK-IUODEOHRSA-N 0 3 299.349 3.412 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1ncc(F)cc1F)C1CCCC1 ZINC001520455897 938025745 /nfs/dbraw/zinc/02/57/45/938025745.db2.gz OGPXBDRUWVJOKA-JOYOIKCWSA-N 0 3 278.302 3.362 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC001521671159 938033523 /nfs/dbraw/zinc/03/35/23/938033523.db2.gz CEUPEQXJRSCVEO-MNOVXSKESA-N 0 3 294.361 3.153 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(/C)c1ccccc1 ZINC001556466093 938203993 /nfs/dbraw/zinc/20/39/93/938203993.db2.gz IUPGAUOZZYCNIW-NXVVXOECSA-N 0 3 286.419 3.056 20 30 CGEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC001560002977 938241533 /nfs/dbraw/zinc/24/15/33/938241533.db2.gz DFPAEZMAOOVUET-CQSZACIVSA-N 0 3 282.428 3.140 20 30 CGEDHN C#CCCN(C/C=C/c1ccc(Cl)cc1)CCOC ZINC001560023691 938241863 /nfs/dbraw/zinc/24/18/63/938241863.db2.gz IPHBRBXTXQXEOS-AATRIKPKSA-N 0 3 277.795 3.325 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC001560515206 938261235 /nfs/dbraw/zinc/26/12/35/938261235.db2.gz OBAIAPRHSQPBNL-UHFFFAOYSA-N 0 3 260.340 3.024 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@](C)(CC)CCC)[C@H]1CC ZINC001566024695 960863159 /nfs/dbraw/zinc/86/31/59/960863159.db2.gz PUNGHTDMEPXQKY-ZMSDIMECSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001567297065 961263089 /nfs/dbraw/zinc/26/30/89/961263089.db2.gz JMAIEOGQBOHRKG-UHFFFAOYSA-N 0 3 288.435 3.064 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001567685162 961395269 /nfs/dbraw/zinc/39/52/69/961395269.db2.gz APLAZTLWSHFMRB-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)CN(C)CC=C(C)C)CCC1 ZINC001569135840 961699959 /nfs/dbraw/zinc/69/99/59/961699959.db2.gz GBQCDGFJTQDSEC-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCN1CC/C=C/c1ccccc1 ZINC001569350696 961744166 /nfs/dbraw/zinc/74/41/66/961744166.db2.gz OPCJDIJITDIDFS-DBEXCURXSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001569386328 961753825 /nfs/dbraw/zinc/75/38/25/961753825.db2.gz MARJAABZIZSHJF-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001569978194 961875452 /nfs/dbraw/zinc/87/54/52/961875452.db2.gz XTLKITBFMXBVMA-OCCSQVGLSA-N 0 3 286.847 3.003 20 30 CGEDHN CC#CCNC1(CNC(=O)[C@@H](CCCC)C(C)C)CCC1 ZINC001570127788 961918234 /nfs/dbraw/zinc/91/82/34/961918234.db2.gz SXVMMKMUVDIZKC-INIZCTEOSA-N 0 3 292.467 3.101 20 30 CGEDHN C#CCN(C)CCCN(C)C(=O)C[C@H]1CCCCC1(C)C ZINC001570218465 961936675 /nfs/dbraw/zinc/93/66/75/961936675.db2.gz UYDBCNZDDOHUSD-MRXNPFEDSA-N 0 3 292.467 3.006 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)/C=C/C(C)(C)C ZINC001571236049 962129099 /nfs/dbraw/zinc/12/90/99/962129099.db2.gz DWVJPKLDUSUVJQ-MMQHEFTJSA-N 0 3 286.847 3.216 20 30 CGEDHN CC(C)(C)[C@H](N)C(=O)Nc1ccccc1SCCC#N ZINC001573458163 962257494 /nfs/dbraw/zinc/25/74/94/962257494.db2.gz QLQQFWPGEVQCCD-CYBMUJFWSA-N 0 3 291.420 3.004 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001574903705 962330170 /nfs/dbraw/zinc/33/01/70/962330170.db2.gz VAOUNNXMJZVASY-PMPSAXMXSA-N 0 3 292.467 3.345 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC001574908448 962331322 /nfs/dbraw/zinc/33/13/22/962331322.db2.gz OELOJZUBCNOTGW-HOTGVXAUSA-N 0 3 290.382 3.003 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cncc(F)c1 ZINC001577430159 962545977 /nfs/dbraw/zinc/54/59/77/962545977.db2.gz ROVYQUTVJHLCKE-AWEZNQCLSA-N 0 3 281.375 3.237 20 30 CGEDHN C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588488686 963277935 /nfs/dbraw/zinc/27/79/35/963277935.db2.gz MSJSQENZSSJMCW-GFCCVEGCSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588488686 963277946 /nfs/dbraw/zinc/27/79/46/963277946.db2.gz MSJSQENZSSJMCW-GFCCVEGCSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588593465 963287477 /nfs/dbraw/zinc/28/74/77/963287477.db2.gz CJMRQYSUMMXYJF-CYBMUJFWSA-N 0 3 285.395 3.010 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588593465 963287489 /nfs/dbraw/zinc/28/74/89/963287489.db2.gz CJMRQYSUMMXYJF-CYBMUJFWSA-N 0 3 285.395 3.010 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cn3ccccc3n2)C1 ZINC000651668650 398265194 /nfs/dbraw/zinc/26/51/94/398265194.db2.gz SXIFBHRDNGBDBN-KGLIPLIRSA-N 0 3 255.365 3.169 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2nnc(C)s2)C1 ZINC000651761830 398284236 /nfs/dbraw/zinc/28/42/36/398284236.db2.gz JRBKTCVEMXIECW-WCQGTBRESA-N 0 3 251.399 3.242 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651761487 398284446 /nfs/dbraw/zinc/28/44/46/398284446.db2.gz UCRZQDACAHTAGK-WMLDXEAASA-N 0 3 282.387 3.336 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC[C@H]1c1ccncc1 ZINC000125436401 187184752 /nfs/dbraw/zinc/18/47/52/187184752.db2.gz QEZKUCAIOGHYFU-KRWDZBQOSA-N 0 3 293.370 3.169 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000651892340 398302045 /nfs/dbraw/zinc/30/20/45/398302045.db2.gz QLJVDWDGZBEYLB-WFGGJUAMSA-N 0 3 265.372 3.438 20 30 CGEDHN CCC(CC)CN(CCC#N)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000345326820 282161969 /nfs/dbraw/zinc/16/19/69/282161969.db2.gz VYOBJGVHYLOVFL-GJZGRUSLSA-N 0 3 293.455 3.038 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCSC[C@H]1C1CC1 ZINC000590758752 346872207 /nfs/dbraw/zinc/87/22/07/346872207.db2.gz VOOKPUBLKOGYOJ-INIZCTEOSA-N 0 3 272.417 3.194 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000652191023 398326850 /nfs/dbraw/zinc/32/68/50/398326850.db2.gz HFQRFWKHELUYKB-GOEBONIOSA-N 0 3 284.403 3.492 20 30 CGEDHN C[C@@H](CCC#N)N1CCS[C@H](c2ccccc2)C1 ZINC000591014875 346894133 /nfs/dbraw/zinc/89/41/33/346894133.db2.gz QLTLFMIRLROXLT-ZFWWWQNUSA-N 0 3 260.406 3.469 20 30 CGEDHN C=CC[C@H](C)NCc1ccc(F)c(F)c1N(C)C ZINC000623422733 349804174 /nfs/dbraw/zinc/80/41/74/349804174.db2.gz CLSITVZABVPXBE-JTQLQIEISA-N 0 3 254.324 3.085 20 30 CGEDHN CS[C@@H]1CC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000591837507 346941926 /nfs/dbraw/zinc/94/19/26/346941926.db2.gz QLYRTZDKKSZJEJ-QWHCGFSZSA-N 0 3 266.797 3.195 20 30 CGEDHN CCc1ccc([C@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000336603788 529727038 /nfs/dbraw/zinc/72/70/38/529727038.db2.gz PYJKAFYACCPOOX-BBRMVZONSA-N 0 3 270.376 3.115 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccsc1C(F)(F)F ZINC000623483915 349817273 /nfs/dbraw/zinc/81/72/73/349817273.db2.gz XBKASZFAJTUVJO-VIFPVBQESA-N 0 3 279.327 3.041 20 30 CGEDHN C=CC(C)(C)CCNCc1cnnn1Cc1ccccc1 ZINC000623593124 349843644 /nfs/dbraw/zinc/84/36/44/349843644.db2.gz UPXSGKATCJUDFD-UHFFFAOYSA-N 0 3 284.407 3.018 20 30 CGEDHN CC(C)(C)CN(CCC#N)CCC[C@@H]1CCOC1 ZINC000592073422 346961442 /nfs/dbraw/zinc/96/14/42/346961442.db2.gz YHGYBLUKFAXPTM-CQSZACIVSA-N 0 3 252.402 3.065 20 30 CGEDHN Cc1c(C)c(C)c(CN2CC[C@@](O)(CC#N)C2)c(C)c1C ZINC000592149628 346966873 /nfs/dbraw/zinc/96/68/73/346966873.db2.gz SJRDJMVGBCJIMS-SFHVURJKSA-N 0 3 286.419 3.079 20 30 CGEDHN Cc1cc(C)c([C@@H](C)N2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592151567 346967838 /nfs/dbraw/zinc/96/78/38/346967838.db2.gz NPFFZAZEYXPRAB-WBVHZDCISA-N 0 3 272.392 3.023 20 30 CGEDHN C[C@H](N[C@@H]1CCS[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000592401504 346985436 /nfs/dbraw/zinc/98/54/36/346985436.db2.gz XYBAKJMJWWUIQY-IMSIIYSGSA-N 0 3 264.369 3.242 20 30 CGEDHN CC(C)C[C@@H](CN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592521798 346995390 /nfs/dbraw/zinc/99/53/90/346995390.db2.gz CBSXKOBNDCSQPY-ROUUACIJSA-N 0 3 286.419 3.167 20 30 CGEDHN CCN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCCOC1 ZINC000593071031 347036093 /nfs/dbraw/zinc/03/60/93/347036093.db2.gz ZKVUJFQCKPHDGK-MRXNPFEDSA-N 0 3 286.419 3.489 20 30 CGEDHN N#CCCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593122934 347042973 /nfs/dbraw/zinc/04/29/73/347042973.db2.gz BXTDEHFSMDZPTM-ULQDDVLXSA-N 0 3 270.376 3.285 20 30 CGEDHN CN(Cc1ccc(C#N)cc1Cl)C1CCC(CO)CC1 ZINC000439455120 529983931 /nfs/dbraw/zinc/98/39/31/529983931.db2.gz SZVJPTYREVHXIW-UHFFFAOYSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@H](CCNc1snc(Cl)c1C#N)N1CCCCC1 ZINC000273228275 192081018 /nfs/dbraw/zinc/08/10/18/192081018.db2.gz VUDBWXDFTBLTMG-SNVBAGLBSA-N 0 3 298.843 3.345 20 30 CGEDHN CN(CCCC#N)CCCOc1ccc(Cl)cc1 ZINC000052451081 345103290 /nfs/dbraw/zinc/10/32/90/345103290.db2.gz VXYRRQAYSGWYOT-UHFFFAOYSA-N 0 3 266.772 3.344 20 30 CGEDHN C[C@@H]1CC[C@H](N(CCO)Cc2ccc(C#N)cc2Cl)C1 ZINC000351630302 219153749 /nfs/dbraw/zinc/15/37/49/219153749.db2.gz QXEQXPKVVYVFFU-DOMZBBRYSA-N 0 3 292.810 3.195 20 30 CGEDHN CN(CCOc1ccc(C#N)cc1)CCc1ccc(F)cc1 ZINC000055022634 345141808 /nfs/dbraw/zinc/14/18/08/345141808.db2.gz ABZGJTQLUYBSKU-UHFFFAOYSA-N 0 3 298.361 3.251 20 30 CGEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000058874318 345202389 /nfs/dbraw/zinc/20/23/89/345202389.db2.gz QFLGNPVOZFKYMG-UHFFFAOYSA-N 0 3 299.418 3.198 20 30 CGEDHN N#CCCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401091 345321047 /nfs/dbraw/zinc/32/10/47/345321047.db2.gz TWIUHTAHCKKDPQ-MRXNPFEDSA-N 0 3 292.810 3.389 20 30 CGEDHN CCC(C)(C)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000074320964 345466439 /nfs/dbraw/zinc/46/64/39/345466439.db2.gz VCYZYPVTWMUTFA-UHFFFAOYSA-N 0 3 287.407 3.054 20 30 CGEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(OC)c1 ZINC000078878116 345624067 /nfs/dbraw/zinc/62/40/67/345624067.db2.gz UZINLCJFAOWVNA-CYBMUJFWSA-N 0 3 296.370 3.426 20 30 CGEDHN C[C@H](NCc1ccc([S@](C)=O)cc1)c1cccc(C#N)c1 ZINC000085330978 345745437 /nfs/dbraw/zinc/74/54/37/345745437.db2.gz HUTDZNJEUJTNDX-YEJXKQKISA-N 0 3 298.411 3.146 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000091507368 345817100 /nfs/dbraw/zinc/81/71/00/345817100.db2.gz NUWNSFYUVKVYPC-CYBMUJFWSA-N 0 3 265.426 3.010 20 30 CGEDHN Cc1ccc([C@H](CNc2cnccc2C#N)N2CCCC2)o1 ZINC000094153401 345896629 /nfs/dbraw/zinc/89/66/29/345896629.db2.gz PLTGGAWGRNKWHC-INIZCTEOSA-N 0 3 296.374 3.104 20 30 CGEDHN C=C(C)CN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093318751 345874597 /nfs/dbraw/zinc/87/45/97/345874597.db2.gz UMNBMCVOGNOVIZ-GFCCVEGCSA-N 0 3 286.297 3.130 20 30 CGEDHN N#Cc1cc(N[C@@H]2CCN(C3CC3)C2)ccc1C(F)(F)F ZINC000163976443 346181854 /nfs/dbraw/zinc/18/18/54/346181854.db2.gz BLDYVOGJCPEYSH-GFCCVEGCSA-N 0 3 295.308 3.226 20 30 CGEDHN CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CCS1 ZINC000165509293 346184919 /nfs/dbraw/zinc/18/49/19/346184919.db2.gz HBSHFNHBMXCDMH-OAHLLOKOSA-N 0 3 260.406 3.194 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCC(C)(C)C)CC1 ZINC000172351981 346219826 /nfs/dbraw/zinc/21/98/26/346219826.db2.gz FOFXAEQLFBNZDM-AWEZNQCLSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CCSCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000222058388 346298406 /nfs/dbraw/zinc/29/84/06/346298406.db2.gz PZZXPWUZAGEVLC-LBPRGKRZSA-N 0 3 293.432 3.027 20 30 CGEDHN CCOC(=O)C(C)(C)CCC[C@@H](C)NCC1(C#N)CC1 ZINC000593621968 347096862 /nfs/dbraw/zinc/09/68/62/347096862.db2.gz PEKJRSNOKABVNJ-CYBMUJFWSA-N 0 3 280.412 3.028 20 30 CGEDHN CC(C)(C)OC1CC(NCC2(C#N)CCCC2)C1 ZINC000593653176 347099454 /nfs/dbraw/zinc/09/94/54/347099454.db2.gz DRSFWJMPMKENKL-UHFFFAOYSA-N 0 3 250.386 3.006 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCCC1 ZINC000593654577 347100984 /nfs/dbraw/zinc/10/09/84/347100984.db2.gz IPBJYOJTEAOVGJ-HRCADAONSA-N 0 3 276.424 3.255 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC2(CC2(F)F)CC1 ZINC000404882923 346601412 /nfs/dbraw/zinc/60/14/12/346601412.db2.gz GYIGVTFLERQSOZ-UHFFFAOYSA-N 0 3 292.329 3.188 20 30 CGEDHN N#CC1(CNC2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000570903432 346666731 /nfs/dbraw/zinc/66/67/31/346666731.db2.gz CZXKZEJQBHHFTI-UHFFFAOYSA-N 0 3 279.387 3.284 20 30 CGEDHN N#Cc1ccc(CNC2CCN(c3ccccc3)CC2)s1 ZINC000176953868 136567944 /nfs/dbraw/zinc/56/79/44/136567944.db2.gz IFZNMDXTOGFENY-UHFFFAOYSA-N 0 3 297.427 3.378 20 30 CGEDHN C=CC1CCN(CC(=O)N(CCCC)CCCC)CC1 ZINC000522081576 346640521 /nfs/dbraw/zinc/64/05/21/346640521.db2.gz OTQZRCHUUACMCW-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(C(=O)OCC)o1 ZINC000589198111 346790002 /nfs/dbraw/zinc/79/00/02/346790002.db2.gz ULDZTPORQLDTSV-VXGBXAGGSA-N 0 3 265.353 3.147 20 30 CGEDHN CN(CCC1CCCCC1)Cc1ccc(C#N)cn1 ZINC000593953218 347122652 /nfs/dbraw/zinc/12/26/52/347122652.db2.gz SORIJRXQHBEIQE-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)nc1 ZINC000593962624 347124718 /nfs/dbraw/zinc/12/47/18/347124718.db2.gz UUSMEWOLVODSCQ-HNNXBMFYSA-N 0 3 281.334 3.082 20 30 CGEDHN CCC(C)(C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000594594763 347198495 /nfs/dbraw/zinc/19/84/95/347198495.db2.gz RHCMUQJXDYIJGD-UHFFFAOYSA-N 0 3 275.371 3.008 20 30 CGEDHN CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000594442942 347174855 /nfs/dbraw/zinc/17/48/55/347174855.db2.gz DFZBLHNPZWMBGU-LSDHHAIUSA-N 0 3 295.471 3.365 20 30 CGEDHN CC(C)C[C@H]1CCCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594443448 347174907 /nfs/dbraw/zinc/17/49/07/347174907.db2.gz HTWRFXROAKKOIJ-HZPDHXFCSA-N 0 3 293.455 3.215 20 30 CGEDHN Cc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000594514722 347185046 /nfs/dbraw/zinc/18/50/46/347185046.db2.gz AIVMYVDLWDIBCL-UHFFFAOYSA-N 0 3 279.387 3.481 20 30 CGEDHN N#CC1(c2ccc(CNCc3ccc(CO)cc3)cc2)CC1 ZINC000594949958 347238333 /nfs/dbraw/zinc/23/83/33/347238333.db2.gz JLGAYSMJWYVBNS-UHFFFAOYSA-N 0 3 292.382 3.024 20 30 CGEDHN C=CCCSCCNCc1cc2ccccc2[nH]c1=O ZINC000594960593 347241324 /nfs/dbraw/zinc/24/13/24/347241324.db2.gz VFRDHZVBBYWCAC-UHFFFAOYSA-N 0 3 288.416 3.339 20 30 CGEDHN C=CCCSCCNCc1cc(-c2ccccc2)n[nH]1 ZINC000594960035 347241469 /nfs/dbraw/zinc/24/14/69/347241469.db2.gz IIWWPSVCUSRVGQ-UHFFFAOYSA-N 0 3 287.432 3.476 20 30 CGEDHN COc1cccc(OC)c1CNC1CCC(C)(C#N)CC1 ZINC000594966241 347244644 /nfs/dbraw/zinc/24/46/44/347244644.db2.gz DLLDXFHSYHHENA-UHFFFAOYSA-N 0 3 288.391 3.266 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)CCO1 ZINC000594981036 347247960 /nfs/dbraw/zinc/24/79/60/347247960.db2.gz FVIWUXOXDJVYIA-GJZGRUSLSA-N 0 3 264.413 3.254 20 30 CGEDHN COC(=O)C[C@@H]1CC[C@H](NCC2(C#N)CCCCC2)[C@H]1C ZINC000594981133 347247998 /nfs/dbraw/zinc/24/79/98/347247998.db2.gz HLVKKXFQNBWSAH-KKUMJFAQSA-N 0 3 292.423 3.028 20 30 CGEDHN CC[C@@H]1C[C@H](NCC2(C#N)CCCCC2)CCO1 ZINC000594982102 347248886 /nfs/dbraw/zinc/24/88/86/347248886.db2.gz YPEKZCZOUDVCKO-ZIAGYGMSSA-N 0 3 250.386 3.008 20 30 CGEDHN CN(CCc1ccc(C#N)cc1)Cc1cccs1 ZINC000595292740 347287761 /nfs/dbraw/zinc/28/77/61/347287761.db2.gz VDYWCTKITOFNJE-UHFFFAOYSA-N 0 3 256.374 3.294 20 30 CGEDHN CCN(CCc1ccc(C#N)cc1)Cc1ccccn1 ZINC000595340400 347294101 /nfs/dbraw/zinc/29/41/01/347294101.db2.gz WDFHIPMWMUGIQP-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN CN(CCc1ccc(C#N)cc1)Cc1cc(Cl)cn1C ZINC000595338827 347294182 /nfs/dbraw/zinc/29/41/82/347294182.db2.gz JYOSKRDIBHTGPI-UHFFFAOYSA-N 0 3 287.794 3.225 20 30 CGEDHN COCCN(CCc1ccc(C#N)cc1)Cc1ccc(C)o1 ZINC000595345945 347295094 /nfs/dbraw/zinc/29/50/94/347295094.db2.gz RYZBUAYXYRGKKD-UHFFFAOYSA-N 0 3 298.386 3.151 20 30 CGEDHN N#Cc1ccc(CCN(Cc2ccncc2)C2CC2)cc1 ZINC000595399393 347298681 /nfs/dbraw/zinc/29/86/81/347298681.db2.gz VZKITJVWIYERGI-UHFFFAOYSA-N 0 3 277.371 3.160 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)C(F)F ZINC000595012822 347257096 /nfs/dbraw/zinc/25/70/96/347257096.db2.gz OUMDPPCWRGQCMN-SECBINFHSA-N 0 3 270.298 3.467 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cncc(C)c1 ZINC000595060559 347273963 /nfs/dbraw/zinc/27/39/63/347273963.db2.gz VOJMRFIPWOTUHX-CYBMUJFWSA-N 0 3 250.411 3.350 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(=O)OC)co1 ZINC000595602700 347324969 /nfs/dbraw/zinc/32/49/69/347324969.db2.gz JYDSGGHXOLWUNR-IUODEOHRSA-N 0 3 277.364 3.291 20 30 CGEDHN CC(C)(NCCOc1ccccc1)c1cccc(C#N)c1 ZINC000595635332 347330968 /nfs/dbraw/zinc/33/09/68/347330968.db2.gz ITOQYTLSFTWIGP-UHFFFAOYSA-N 0 3 280.371 3.462 20 30 CGEDHN CC(C)(C)OC(=O)CCC1CCN(CCCC#N)CC1 ZINC000595716856 347346575 /nfs/dbraw/zinc/34/65/75/347346575.db2.gz OAMFLHPJRFRDTC-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCC1(NCc2ccoc2C(=O)OC)CCCC1 ZINC000595780675 347355245 /nfs/dbraw/zinc/35/52/45/347355245.db2.gz ZQPVBEXSRJUDNO-UHFFFAOYSA-N 0 3 263.337 3.045 20 30 CGEDHN CC[C@@H](NCCc1ccc(C#N)cc1)c1nccs1 ZINC000595431253 347302899 /nfs/dbraw/zinc/30/28/99/347302899.db2.gz NSISOSAGZIERGA-CQSZACIVSA-N 0 3 271.389 3.298 20 30 CGEDHN COCC[C@@H](NCCc1ccc(C#N)cc1)c1ccco1 ZINC000595431851 347303270 /nfs/dbraw/zinc/30/32/70/347303270.db2.gz QLCSKNFZDDXPTH-MRXNPFEDSA-N 0 3 284.359 3.061 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595830540 347362043 /nfs/dbraw/zinc/36/20/43/347362043.db2.gz DRXMLDTXDGAVEE-GOSISDBHSA-N 0 3 278.355 3.212 20 30 CGEDHN CCC(CC)CCCN(C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000595831308 347362884 /nfs/dbraw/zinc/36/28/84/347362884.db2.gz NSGCELSSOKRSPI-AWEZNQCLSA-N 0 3 293.455 3.086 20 30 CGEDHN CC[C@@]1(CO)CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597093118 347535426 /nfs/dbraw/zinc/53/54/26/347535426.db2.gz WCXOEDUASJBRJC-GOSISDBHSA-N 0 3 298.430 3.226 20 30 CGEDHN CCC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597145419 347540053 /nfs/dbraw/zinc/54/00/53/347540053.db2.gz IXVKCZQVVKIHLP-UHFFFAOYSA-N 0 3 254.377 3.474 20 30 CGEDHN CC(C)CC1(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000598403425 347654374 /nfs/dbraw/zinc/65/43/74/347654374.db2.gz BXUAZOZOWVQHHD-INIZCTEOSA-N 0 3 284.403 3.454 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N(CC1CC1)CC1CC1 ZINC000598443131 347659266 /nfs/dbraw/zinc/65/92/66/347659266.db2.gz DINNEMLXKIOICP-SFHVURJKSA-N 0 3 296.414 3.408 20 30 CGEDHN C=CC(C)(C)CCN[C@H](C)c1cc(C(=O)OC)co1 ZINC000599057444 347712003 /nfs/dbraw/zinc/71/20/03/347712003.db2.gz PUSXFCZDELUYAL-LLVKDONJSA-N 0 3 265.353 3.319 20 30 CGEDHN CSc1ccccc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598620818 347672530 /nfs/dbraw/zinc/67/25/30/347672530.db2.gz SIPMLSLOKFOULX-OLZOCXBDSA-N 0 3 292.448 3.360 20 30 CGEDHN CCc1ccc(C2CCN(CCOCCC#N)CC2)cc1 ZINC000599670127 347763133 /nfs/dbraw/zinc/76/31/33/347763133.db2.gz SVZYEGOKAKIVBJ-UHFFFAOYSA-N 0 3 286.419 3.359 20 30 CGEDHN COc1ccc(CN2CCCC3(CC3)CC2)cc1C#N ZINC000599673784 347764121 /nfs/dbraw/zinc/76/41/21/347764121.db2.gz YWEZRICRJWZSBZ-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN C[C@]12CCCC[C@H]1CN2CCOc1ccccc1C#N ZINC000599675120 347764170 /nfs/dbraw/zinc/76/41/70/347764170.db2.gz OARHGKXCJBSCBQ-RDJZCZTQSA-N 0 3 270.376 3.202 20 30 CGEDHN N#CCc1cccc2c1CCN(CCc1ccccc1F)C2 ZINC000599677976 347764765 /nfs/dbraw/zinc/76/47/65/347764765.db2.gz NTKSGNLVAZOCCI-UHFFFAOYSA-N 0 3 294.373 3.493 20 30 CGEDHN COc1ccc([C@@H]2CCN([C@@H]3CC[C@H](C#N)C3)C2)cc1F ZINC000599681209 347766283 /nfs/dbraw/zinc/76/62/83/347766283.db2.gz XALGEPQKVWFJKN-NWANDNLSSA-N 0 3 288.366 3.316 20 30 CGEDHN Cc1ccc(CN2CCc3ccc(O)cc3CC2)cc1C#N ZINC000599323963 347735263 /nfs/dbraw/zinc/73/52/63/347735263.db2.gz NKJJUWMRGGKEHB-UHFFFAOYSA-N 0 3 292.382 3.173 20 30 CGEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599355587 347738824 /nfs/dbraw/zinc/73/88/24/347738824.db2.gz BOTSNXYAXFVEKQ-SWLSCSKDSA-N 0 3 294.345 3.060 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)cc1C#N ZINC000599357928 347738993 /nfs/dbraw/zinc/73/89/93/347738993.db2.gz YSLYJUCZCFOSIR-SFHVURJKSA-N 0 3 291.398 3.326 20 30 CGEDHN Cc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1C#N ZINC000599381855 347740259 /nfs/dbraw/zinc/74/02/59/347740259.db2.gz CUIISRLPBFRIGC-GOSISDBHSA-N 0 3 284.403 3.258 20 30 CGEDHN CC[C@H](CC#N)NCC1(O)CCC(c2ccccc2)CC1 ZINC000599438305 347745238 /nfs/dbraw/zinc/74/52/38/347745238.db2.gz VEPVIJPZFNJJOJ-LXPRWKDFSA-N 0 3 286.419 3.357 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000599530519 347751265 /nfs/dbraw/zinc/75/12/65/347751265.db2.gz ZJVGREVFNKUIOC-LBPRGKRZSA-N 0 3 276.336 3.001 20 30 CGEDHN C/C=C\C[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212821 347793821 /nfs/dbraw/zinc/79/38/21/347793821.db2.gz ICFGXVXTVGKJJX-MPNWYJEXSA-N 0 3 294.402 3.384 20 30 CGEDHN C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)C[C@H]2C[C@H]2C1 ZINC000600490801 347802136 /nfs/dbraw/zinc/80/21/36/347802136.db2.gz IQXOMOABBYLXMG-IMBTUZDBSA-N 0 3 296.414 3.311 20 30 CGEDHN C[C@@]1(CNCC2(C#N)CCCCC2)CCCS1 ZINC000600180612 347789773 /nfs/dbraw/zinc/78/97/73/347789773.db2.gz LRDKXMTUYVIKQH-ZDUSSCGKSA-N 0 3 252.427 3.336 20 30 CGEDHN N#CC1(c2ccc(CN[C@@H]3C[C@H]3C(F)(F)F)cc2)CC1 ZINC000601159640 347876025 /nfs/dbraw/zinc/87/60/25/347876025.db2.gz NNERTUNWRUSHFH-CHWSQXEVSA-N 0 3 280.293 3.282 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601279093 347888315 /nfs/dbraw/zinc/88/83/15/347888315.db2.gz AKVATVZMTLQCRY-UHFFFAOYSA-N 0 3 297.402 3.079 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H]1CCOC2(CCCC2)C1 ZINC000602012361 347932412 /nfs/dbraw/zinc/93/24/12/347932412.db2.gz OXBNJZMZBQVNOX-AWEZNQCLSA-N 0 3 288.366 3.279 20 30 CGEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602014431 347933435 /nfs/dbraw/zinc/93/34/35/347933435.db2.gz DEVLORTZFXKGLM-BBRMVZONSA-N 0 3 290.382 3.381 20 30 CGEDHN Cc1cccc(C[C@]2(C)CCCN2C(=O)C(C)C#N)c1 ZINC000601868733 347920608 /nfs/dbraw/zinc/92/06/08/347920608.db2.gz GMBGLXWTLLHFSU-YOEHRIQHSA-N 0 3 270.376 3.078 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2Cc2ccccc2)n1 ZINC000602435270 347957130 /nfs/dbraw/zinc/95/71/30/347957130.db2.gz KGYRTVREEPJRCA-GOSISDBHSA-N 0 3 277.371 3.160 20 30 CGEDHN CN(Cc1cccc(C#N)n1)[C@H]1CCCc2ccccc21 ZINC000602436620 347957362 /nfs/dbraw/zinc/95/73/62/347957362.db2.gz XWFBWMSVTNQMAL-SFHVURJKSA-N 0 3 277.371 3.463 20 30 CGEDHN C[C@@H](CCC#N)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000602475620 347965163 /nfs/dbraw/zinc/96/51/63/347965163.db2.gz LOZFTPCZWFHJDW-MAUKXSAKSA-N 0 3 284.403 3.100 20 30 CGEDHN CCCC[C@@H]1CCC[C@H]1NCc1cccc(C#N)n1 ZINC000602535052 347977265 /nfs/dbraw/zinc/97/72/65/347977265.db2.gz MFHQCKWUOXOBGG-CZUORRHYSA-N 0 3 257.381 3.402 20 30 CGEDHN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cccc(C#N)n1 ZINC000602577684 347986293 /nfs/dbraw/zinc/98/62/93/347986293.db2.gz ITJPTZZHBKNHCX-FZKQIMNGSA-N 0 3 277.371 3.366 20 30 CGEDHN C[C@H](CCC#N)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000602580861 347988223 /nfs/dbraw/zinc/98/82/23/347988223.db2.gz DWRCHCBDFUTACK-VXGBXAGGSA-N 0 3 261.325 3.185 20 30 CGEDHN Cc1cc(C)c(NC(=O)CNC[C@@H](C)CCC#N)c(C)c1 ZINC000602586227 347988743 /nfs/dbraw/zinc/98/87/43/347988743.db2.gz LDMOLOCCPWTZNX-LBPRGKRZSA-N 0 3 287.407 3.080 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)CCc1c[nH]c2ccccc12 ZINC000602608044 347992771 /nfs/dbraw/zinc/99/27/71/347992771.db2.gz OINURXCBNMURBF-OLZOCXBDSA-N 0 3 255.365 3.238 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCC(C)(C)C#N)C12CCC2 ZINC000602608188 347993168 /nfs/dbraw/zinc/99/31/68/347993168.db2.gz QVZFNRVWARONLU-OLZOCXBDSA-N 0 3 264.413 3.252 20 30 CGEDHN CN(Cc1cccc(C#N)n1)CC1(c2ccccc2)CC1 ZINC000602626258 347996037 /nfs/dbraw/zinc/99/60/37/347996037.db2.gz MSYLDNTUEORDOA-UHFFFAOYSA-N 0 3 277.371 3.117 20 30 CGEDHN CC[C@H](C)c1nnc([C@H](C)[NH2+]C2CCC(C#N)CC2)[n-]1 ZINC000602629470 347996648 /nfs/dbraw/zinc/99/66/48/347996648.db2.gz HSRIIUYEUPHKOQ-ZSVAQUKISA-N 0 3 275.400 3.051 20 30 CGEDHN CC[C@H](C)c1nnc([C@H](C)NC2CCC(C#N)CC2)[nH]1 ZINC000602629470 347996650 /nfs/dbraw/zinc/99/66/50/347996650.db2.gz HSRIIUYEUPHKOQ-ZSVAQUKISA-N 0 3 275.400 3.051 20 30 CGEDHN CCC[C@]1(C(=O)OCC)CCCN1C[C@@H](C)CCC#N ZINC000602637168 347998473 /nfs/dbraw/zinc/99/84/73/347998473.db2.gz LPRMOZPMTIXPIP-GOEBONIOSA-N 0 3 280.412 3.124 20 30 CGEDHN C[C@@H](CCC#N)CN1CC[C@](F)(c2ccccc2)C1 ZINC000602659222 348002774 /nfs/dbraw/zinc/00/27/74/348002774.db2.gz PVZQYRMDFINYGT-GOEBONIOSA-N 0 3 260.356 3.497 20 30 CGEDHN C[C@H](CCC#N)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000602669582 348004888 /nfs/dbraw/zinc/00/48/88/348004888.db2.gz KGWOFJMGKDVAEI-HIFRSBDPSA-N 0 3 257.381 3.404 20 30 CGEDHN CCc1ccc([C@H](COC)NC[C@H](C)CCC#N)o1 ZINC000602548670 347980033 /nfs/dbraw/zinc/98/00/33/347980033.db2.gz UWCYJHKWYCYBDF-OCCSQVGLSA-N 0 3 264.369 3.059 20 30 CGEDHN COc1ccc([C@@H](C)CCNCc2cccc(C#N)n2)cc1 ZINC000602559159 347981267 /nfs/dbraw/zinc/98/12/67/347981267.db2.gz UNPYJDRVNAGLLB-AWEZNQCLSA-N 0 3 295.386 3.245 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000602796569 348030778 /nfs/dbraw/zinc/03/07/78/348030778.db2.gz BUZNZCOYVQYCPO-CYBMUJFWSA-N 0 3 297.402 3.380 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(-n2ccnc2)c1 ZINC000602805436 348031396 /nfs/dbraw/zinc/03/13/96/348031396.db2.gz JVBKYFWLVMDPKG-CQSZACIVSA-N 0 3 280.375 3.217 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(-n2cccn2)c1 ZINC000602808086 348032418 /nfs/dbraw/zinc/03/24/18/348032418.db2.gz WVWKHUQBVZEBPD-CQSZACIVSA-N 0 3 280.375 3.217 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3cccnc3)C2)cc1 ZINC000602855915 348037070 /nfs/dbraw/zinc/03/70/70/348037070.db2.gz QJNBZRINENKGIS-SFHVURJKSA-N 0 3 277.371 3.333 20 30 CGEDHN CC1=Nc2ccccc2C12CCN(CCCC#N)CC2 ZINC000602859794 348037637 /nfs/dbraw/zinc/03/76/37/348037637.db2.gz GJKBQQSZXJMHNK-UHFFFAOYSA-N 0 3 267.376 3.430 20 30 CGEDHN C[C@H]1CN(C)c2ccccc2CN1CC1(CC#N)CC1 ZINC000602913589 348043316 /nfs/dbraw/zinc/04/33/16/348043316.db2.gz PAWDSZRUCBCDJB-AWEZNQCLSA-N 0 3 269.392 3.021 20 30 CGEDHN CN(CC1CCC(F)(F)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602981291 348051236 /nfs/dbraw/zinc/05/12/36/348051236.db2.gz AXKITHUWDGVQTC-QWHCGFSZSA-N 0 3 256.340 3.436 20 30 CGEDHN C[C@@H](CNc1ncc(C#N)cc1Cl)N1CCC[C@H](C)C1 ZINC000608885918 348333452 /nfs/dbraw/zinc/33/34/52/348333452.db2.gz GUEWHRMLKQCWLF-RYUDHWBXSA-N 0 3 292.814 3.139 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccnc(C#N)c1 ZINC000610993442 348416038 /nfs/dbraw/zinc/41/60/38/348416038.db2.gz SOFMUTBGJUSVAE-RHSMWYFYSA-N 0 3 277.371 3.331 20 30 CGEDHN N#Cc1csc(CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000611983767 348484816 /nfs/dbraw/zinc/48/48/16/348484816.db2.gz JELNHCNUZFNENI-AWEZNQCLSA-N 0 3 283.400 3.079 20 30 CGEDHN C=CCc1cc(CN2CCCSCC2)cc(OC)c1O ZINC000273386268 192135369 /nfs/dbraw/zinc/13/53/69/192135369.db2.gz IUFCOIGJNIBNQS-UHFFFAOYSA-N 0 3 293.432 3.068 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCOCC1CCC1 ZINC000613242598 348579290 /nfs/dbraw/zinc/57/92/90/348579290.db2.gz LZQGIYAKDRAXRT-GOSISDBHSA-N 0 3 284.403 3.342 20 30 CGEDHN C[C@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CN1C1CC1 ZINC000613427163 348601065 /nfs/dbraw/zinc/60/10/65/348601065.db2.gz SCKSCDKGNYMDTF-JSGCOSHPSA-N 0 3 298.434 3.288 20 30 CGEDHN CCN1CCN(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614177770 348655344 /nfs/dbraw/zinc/65/53/44/348655344.db2.gz YOTZIKYLIMHDIV-HNNXBMFYSA-N 0 3 285.435 3.014 20 30 CGEDHN CO[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1C ZINC000615236136 348725794 /nfs/dbraw/zinc/72/57/94/348725794.db2.gz ZYKKNKDTFDUVMX-WMLDXEAASA-N 0 3 286.419 3.345 20 30 CGEDHN Cc1cc(CN[C@@H]2CCC(F)(F)C2)ccc1C#N ZINC000618194719 349061481 /nfs/dbraw/zinc/06/14/81/349061481.db2.gz XYBXJJBIGAXSNT-CYBMUJFWSA-N 0 3 250.292 3.144 20 30 CGEDHN COc1ccc(CN(C)CCCCC(C)(C)C#N)cn1 ZINC000618288424 349067260 /nfs/dbraw/zinc/06/72/60/349067260.db2.gz JZFWJTSIBLLJJI-UHFFFAOYSA-N 0 3 275.396 3.242 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2[nH]cnc2c1 ZINC000618742121 349152306 /nfs/dbraw/zinc/15/23/06/349152306.db2.gz QCWANWQZYHWCAF-MRXNPFEDSA-N 0 3 288.354 3.212 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2nc[nH]c2c1 ZINC000618742121 349152310 /nfs/dbraw/zinc/15/23/10/349152310.db2.gz QCWANWQZYHWCAF-MRXNPFEDSA-N 0 3 288.354 3.212 20 30 CGEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccnc1 ZINC000618805760 349156754 /nfs/dbraw/zinc/15/67/54/349156754.db2.gz KJXZSZSJWAEMCR-YVEFUNNKSA-N 0 3 263.344 3.291 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000619672772 349269036 /nfs/dbraw/zinc/26/90/36/349269036.db2.gz ZCKHPFPJLWQDJR-BHIYHBOVSA-N 0 3 297.446 3.495 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000619672774 349269190 /nfs/dbraw/zinc/26/91/90/349269190.db2.gz ZCKHPFPJLWQDJR-NZSAHSFTSA-N 0 3 297.446 3.495 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(CO)ccc1F ZINC000625185866 350138214 /nfs/dbraw/zinc/13/82/14/350138214.db2.gz SQUUPWXXLIVQNS-UHFFFAOYSA-N 0 3 265.372 3.496 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000625699739 350197495 /nfs/dbraw/zinc/19/74/95/350197495.db2.gz GPQNKEDRTANLOJ-IXDOHACOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000625703179 350199986 /nfs/dbraw/zinc/19/99/86/350199986.db2.gz MAABUWPBUYTCIO-GFCCVEGCSA-N 0 3 275.783 3.386 20 30 CGEDHN C=CCC1(NCc2cc(OC)no2)CCCCC1 ZINC000625934552 350233315 /nfs/dbraw/zinc/23/33/15/350233315.db2.gz RLXLHYVEOKHYSB-UHFFFAOYSA-N 0 3 250.342 3.052 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CCCC1 ZINC000628966361 350628574 /nfs/dbraw/zinc/62/85/74/350628574.db2.gz QQZSBIGPPHXEOJ-INIZCTEOSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CCCOCCN[C@H]1CCCOc2c(OC)cccc21 ZINC000631603278 351087259 /nfs/dbraw/zinc/08/72/59/351087259.db2.gz RKULXBBRLVCZFR-HNNXBMFYSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](CC)c1cccc(OC)c1OC ZINC000631634104 351098784 /nfs/dbraw/zinc/09/87/84/351098784.db2.gz UXFDJVLYVDANQF-ZFWWWQNUSA-N 0 3 293.407 3.072 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000631769017 351139686 /nfs/dbraw/zinc/13/96/86/351139686.db2.gz HDUQOLAXTBKTHF-NVXWUHKLSA-N 0 3 298.430 3.122 20 30 CGEDHN C=CCC(CC=C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000122033259 187011635 /nfs/dbraw/zinc/01/16/35/187011635.db2.gz CJMGLLXHRGPKDQ-UHFFFAOYSA-N 0 3 286.419 3.133 20 30 CGEDHN COc1ccc(CN2CC[C@H](C)[C@@H](C)C2)cc1C#N ZINC000122524343 187036640 /nfs/dbraw/zinc/03/66/40/187036640.db2.gz BXTHUYLGFWMQOY-STQMWFEESA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cc1F ZINC000124254822 187128916 /nfs/dbraw/zinc/12/89/16/187128916.db2.gz GLPAEQFWKXPRLO-CZUORRHYSA-N 0 3 290.382 3.213 20 30 CGEDHN Cn1cc(CN2CC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC000365264468 234093669 /nfs/dbraw/zinc/09/36/69/234093669.db2.gz UYZVUOUHJDLMJH-GOSISDBHSA-N 0 3 279.387 3.060 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292062453 198149217 /nfs/dbraw/zinc/14/92/17/198149217.db2.gz CRLFHETTWQNAEM-KDOFPFPSSA-N 0 3 284.403 3.368 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccccc1OCC ZINC000271628500 191247608 /nfs/dbraw/zinc/24/76/08/191247608.db2.gz BDHKSOFGVJFAQK-UONOGXRCSA-N 0 3 263.381 3.063 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000367381908 234210730 /nfs/dbraw/zinc/21/07/30/234210730.db2.gz ZSGUTIRSOZIFMD-QZTJIDSGSA-N 0 3 284.403 3.197 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000346334128 283027646 /nfs/dbraw/zinc/02/76/46/283027646.db2.gz JOONZDZIPZSWQB-ILXRZTDVSA-N 0 3 292.423 3.122 20 30 CGEDHN C=CCCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000271777397 191320144 /nfs/dbraw/zinc/32/01/44/191320144.db2.gz KDXLRFSNIQJTKO-CQSZACIVSA-N 0 3 255.308 3.208 20 30 CGEDHN OCCC[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000271839583 191359744 /nfs/dbraw/zinc/35/97/44/191359744.db2.gz VQIODIGKJNOHNH-LJQANCHMSA-N 0 3 297.373 3.281 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC000271891477 191393447 /nfs/dbraw/zinc/39/34/47/191393447.db2.gz RZPNMOMXACWTOE-HOTGVXAUSA-N 0 3 288.366 3.135 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)s1 ZINC000176981385 283147698 /nfs/dbraw/zinc/14/76/98/283147698.db2.gz MHQYCNLQBXXUMX-CVEARBPZSA-N 0 3 284.384 3.240 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCCC(F)(F)F)CC2 ZINC000353243332 283198313 /nfs/dbraw/zinc/19/83/13/283198313.db2.gz QWXMVFSZZXLLAN-GFCCVEGCSA-N 0 3 254.255 3.088 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCc3cc(N)ccc32)c1 ZINC000335538358 283206520 /nfs/dbraw/zinc/20/65/20/283206520.db2.gz JSOZXRNDKKJSFN-SFHVURJKSA-N 0 3 277.371 3.308 20 30 CGEDHN N#Cc1cccc(Cl)c1N1CC[C@H](N2CCCCC2)C1 ZINC000361023719 283207343 /nfs/dbraw/zinc/20/73/43/283207343.db2.gz YTCOBOJHOFHLPS-AWEZNQCLSA-N 0 3 289.810 3.276 20 30 CGEDHN Cc1cc(NC[C@@H](c2ccsc2)N(C)C)cc(C#N)n1 ZINC000341744502 216086381 /nfs/dbraw/zinc/08/63/81/216086381.db2.gz UUHREUXTOCAPCK-HNNXBMFYSA-N 0 3 286.404 3.038 20 30 CGEDHN CCC1(CNCc2nc(C#N)cs2)CCCCC1 ZINC000352869899 219699398 /nfs/dbraw/zinc/69/93/98/219699398.db2.gz IQKGZNJQBFBQGY-UHFFFAOYSA-N 0 3 263.410 3.465 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCCN1CCCCCC1 ZINC000302034051 201310135 /nfs/dbraw/zinc/31/01/35/201310135.db2.gz DQELHCCPHHBATD-UHFFFAOYSA-N 0 3 285.391 3.049 20 30 CGEDHN CCCN1CCC(Nc2cc(C(C)=O)ccc2C#N)CC1 ZINC000302127740 201353715 /nfs/dbraw/zinc/35/37/15/201353715.db2.gz WZGFPSAVZMBBQU-UHFFFAOYSA-N 0 3 285.391 3.047 20 30 CGEDHN CCC1(C)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000353144501 219917007 /nfs/dbraw/zinc/91/70/07/219917007.db2.gz VDSNAKBULGKBBD-UHFFFAOYSA-N 0 3 282.391 3.218 20 30 CGEDHN CC1=CCN(CCNc2ccc(C#N)c(Cl)c2)CC1 ZINC000302168380 201378270 /nfs/dbraw/zinc/37/82/70/201378270.db2.gz SMVDXRQRPDNIFL-UHFFFAOYSA-N 0 3 275.783 3.276 20 30 CGEDHN C=CCCOCCNCc1ccc(Cl)c(F)c1 ZINC000120852301 370807117 /nfs/dbraw/zinc/80/71/17/370807117.db2.gz XKOYZKNOADWBHG-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccs1 ZINC000001238806 368405313 /nfs/dbraw/zinc/40/53/13/368405313.db2.gz YVCQRHRZUFNSTF-JTQLQIEISA-N 0 3 281.340 3.125 20 30 CGEDHN C[C@H](NC[C@H](c1ccco1)N(C)C)c1cccc(C#N)c1 ZINC000037218173 369076372 /nfs/dbraw/zinc/07/63/72/369076372.db2.gz NGSBTXXILRFOEZ-XJKSGUPXSA-N 0 3 283.375 3.105 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000037219368 369077051 /nfs/dbraw/zinc/07/70/51/369077051.db2.gz ZMTBKDRUUYOZPE-GFCCVEGCSA-N 0 3 280.327 3.138 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1C=CCC1)C(C)C ZINC000046049253 369288390 /nfs/dbraw/zinc/28/83/90/369288390.db2.gz ATRBDQLEJBIETH-IRXDYDNUSA-N 0 3 290.451 3.158 20 30 CGEDHN CCN1CCC[C@H]1CNc1cccc(Cl)c1C#N ZINC000048935798 369374587 /nfs/dbraw/zinc/37/45/87/369374587.db2.gz JXCLMSGVMASEQZ-NSHDSACASA-N 0 3 263.772 3.108 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)CCCC#N)C12CCCCC2 ZINC000127434630 370952475 /nfs/dbraw/zinc/95/24/75/370952475.db2.gz WSYLFLKQNRFPTE-LSDHHAIUSA-N 0 3 264.413 3.350 20 30 CGEDHN CC1(C)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000070259008 369793388 /nfs/dbraw/zinc/79/33/88/369793388.db2.gz RTBOQKLRJQIAOX-UHFFFAOYSA-N 0 3 258.365 3.059 20 30 CGEDHN COc1ccccc1[C@H]1CCCN1CCCSCC#N ZINC000074990159 369894000 /nfs/dbraw/zinc/89/40/00/369894000.db2.gz IRSSDOPKWVRJRH-OAHLLOKOSA-N 0 3 290.432 3.479 20 30 CGEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)C(C)C ZINC000075673590 369916437 /nfs/dbraw/zinc/91/64/37/369916437.db2.gz MQGYAFYQGPADEL-ZDUSSCGKSA-N 0 3 298.390 3.475 20 30 CGEDHN CCCN(CCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000076746456 369940884 /nfs/dbraw/zinc/94/08/84/369940884.db2.gz QWRAUPRGOFVWGE-SFHVURJKSA-N 0 3 285.435 3.277 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000076801699 369943126 /nfs/dbraw/zinc/94/31/26/369943126.db2.gz AOPJFSNIMRCPDT-ZDUSSCGKSA-N 0 3 294.826 3.243 20 30 CGEDHN C=CCc1cc(CN2CC[C@H](C)[C@H]2C)cc(OC)c1O ZINC000091859679 370076780 /nfs/dbraw/zinc/07/67/80/370076780.db2.gz OQHPTTHSTXVPLB-QWHCGFSZSA-N 0 3 275.392 3.360 20 30 CGEDHN C=CCCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000091980401 370083230 /nfs/dbraw/zinc/08/32/30/370083230.db2.gz OTXTZTAOWBJJQY-AWEZNQCLSA-N 0 3 262.372 3.080 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000092966996 370105220 /nfs/dbraw/zinc/10/52/20/370105220.db2.gz FLVQGHFNMCQSIS-QGZVFWFLSA-N 0 3 297.402 3.285 20 30 CGEDHN CC(C)C[C@H]1COCCN1CC(C)(C)CCC#N ZINC000093340382 370118642 /nfs/dbraw/zinc/11/86/42/370118642.db2.gz QULJULPSKCTDAQ-AWEZNQCLSA-N 0 3 252.402 3.063 20 30 CGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCCC#N ZINC000102400464 370304163 /nfs/dbraw/zinc/30/41/63/370304163.db2.gz XVDYTNAVIUOEKY-KBPBESRZSA-N 0 3 295.427 3.058 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCC2)c(F)c1 ZINC000102925897 370314940 /nfs/dbraw/zinc/31/49/40/370314940.db2.gz IYRKUGZKAZKJOB-INIZCTEOSA-N 0 3 258.340 3.462 20 30 CGEDHN CC(C)C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512619472 245042341 /nfs/dbraw/zinc/04/23/41/245042341.db2.gz MAWBYBZLJGWRHR-UKRRQHHQSA-N 0 3 291.414 3.324 20 30 CGEDHN CN(C)Cc1cc(CNCc2cccc(C#N)c2)ccc1F ZINC000115623954 370537552 /nfs/dbraw/zinc/53/75/52/370537552.db2.gz MMJSIVPTZUKJOK-UHFFFAOYSA-N 0 3 297.377 3.049 20 30 CGEDHN CC(C)[C@@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000117348633 370588619 /nfs/dbraw/zinc/58/86/19/370588619.db2.gz HRAUIZLWEVEGQR-INIZCTEOSA-N 0 3 285.391 3.007 20 30 CGEDHN CCSCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000119052030 370638898 /nfs/dbraw/zinc/63/88/98/370638898.db2.gz OSFULQHTFGZYNJ-UHFFFAOYSA-N 0 3 290.432 3.155 20 30 CGEDHN C[C@H]1SCCN(CCCC#N)[C@H]1c1ccccc1 ZINC000118422159 370615018 /nfs/dbraw/zinc/61/50/18/370615018.db2.gz LUEXPMIJBCLOBT-UKRRQHHQSA-N 0 3 260.406 3.469 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C)CC1 ZINC000130465293 371036199 /nfs/dbraw/zinc/03/61/99/371036199.db2.gz JDRHQOFMINQNDM-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000130474908 371036602 /nfs/dbraw/zinc/03/66/02/371036602.db2.gz BMZFQCMWVJJSAZ-HOCLYGCPSA-N 0 3 270.376 3.331 20 30 CGEDHN N#CC1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000131979773 371143455 /nfs/dbraw/zinc/14/34/55/371143455.db2.gz SXTUUEHZIVYLNM-MRXNPFEDSA-N 0 3 258.340 3.439 20 30 CGEDHN CN(C)Cc1ccc(CNCc2cccc(C#N)c2)cc1F ZINC000136068656 371459617 /nfs/dbraw/zinc/45/96/17/371459617.db2.gz NYNCJAVZSJAVFA-UHFFFAOYSA-N 0 3 297.377 3.049 20 30 CGEDHN C#CCCCCNCc1cc(OC)ccc1OC(F)F ZINC000150730081 371534496 /nfs/dbraw/zinc/53/44/96/371534496.db2.gz OCXQTJJLSBTFLG-UHFFFAOYSA-N 0 3 283.318 3.190 20 30 CGEDHN C=CCCCCCCNC(=O)NC1CCN(CC=C)CC1 ZINC000287478159 371661837 /nfs/dbraw/zinc/66/18/37/371661837.db2.gz QCTYJHNUUVWGGT-UHFFFAOYSA-N 0 3 293.455 3.073 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1F)[C@H]1CCOC(C)(C)C1 ZINC000289829880 371833689 /nfs/dbraw/zinc/83/36/89/371833689.db2.gz OOGANOXNTKRATP-HNNXBMFYSA-N 0 3 290.382 3.477 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cscc2C#N)c1 ZINC000344091573 217047996 /nfs/dbraw/zinc/04/79/96/217047996.db2.gz SGGBCLCQAHKCAF-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2cccs2)CC1 ZINC000159233853 372120128 /nfs/dbraw/zinc/12/01/28/372120128.db2.gz DPYHKSQQSUAJBV-ZDUSSCGKSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCN(C/C=C\c1ccncc1)CCc1ccco1 ZINC000426163360 372149178 /nfs/dbraw/zinc/14/91/78/372149178.db2.gz VRJUHUFQUVITMN-HYXAFXHYSA-N 0 3 268.360 3.419 20 30 CGEDHN Cc1cc(CNC(=O)C(C)C#N)ccc1-c1ccccc1 ZINC000428564977 372234370 /nfs/dbraw/zinc/23/43/70/372234370.db2.gz GLZXLZVMEOAWOM-AWEZNQCLSA-N 0 3 278.355 3.438 20 30 CGEDHN C=CCOc1cccc(CNC(C)(C)COCC)c1 ZINC000293060591 372290960 /nfs/dbraw/zinc/29/09/60/372290960.db2.gz URZLFQPLGRTRQK-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1OC ZINC000429295785 372346969 /nfs/dbraw/zinc/34/69/69/372346969.db2.gz RBMHSYQLLZIXER-CVEARBPZSA-N 0 3 290.382 3.381 20 30 CGEDHN N#CCC1(CNCc2cc3c(cccc3F)[nH]2)CC1 ZINC000430035029 372381023 /nfs/dbraw/zinc/38/10/23/372381023.db2.gz LHSVRHWZADRPQE-UHFFFAOYSA-N 0 3 257.312 3.090 20 30 CGEDHN N#CCC1(CNCc2cc(F)cc3cccnc32)CC1 ZINC000430038963 372381547 /nfs/dbraw/zinc/38/15/47/372381547.db2.gz CVBRUXQGAFNKKI-UHFFFAOYSA-N 0 3 269.323 3.157 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(C#N)c(F)c1 ZINC000430752785 372396583 /nfs/dbraw/zinc/39/65/83/372396583.db2.gz HWSNUCOZNWCAKZ-NSHDSACASA-N 0 3 257.312 3.042 20 30 CGEDHN C=CCN1CCC(NC(=O)NCC(C)(C)C(C)(C)C)CC1 ZINC000431969881 372522180 /nfs/dbraw/zinc/52/21/80/372522180.db2.gz AVYKAEJLMHHERS-UHFFFAOYSA-N 0 3 295.471 3.008 20 30 CGEDHN C=CCN(CCCOC(C)C)Cc1cccc(C#N)c1 ZINC000171500419 372775400 /nfs/dbraw/zinc/77/54/00/372775400.db2.gz WXSAXBHMVOAOOW-UHFFFAOYSA-N 0 3 272.392 3.361 20 30 CGEDHN Cc1ccc(CNCc2ccc(OCC#N)cc2)cc1C ZINC000171769809 372825339 /nfs/dbraw/zinc/82/53/39/372825339.db2.gz ZPJVOJXCBPSMFV-UHFFFAOYSA-N 0 3 280.371 3.496 20 30 CGEDHN Cc1ccc(CC[C@@H](C)NCc2ccc(C#N)o2)o1 ZINC000344615179 217248856 /nfs/dbraw/zinc/24/88/56/217248856.db2.gz GLWRYAKGGRRNEA-LLVKDONJSA-N 0 3 258.321 3.164 20 30 CGEDHN N#Cc1ccc(CNC2(Cc3ccccc3)CCC2)o1 ZINC000344657461 217264275 /nfs/dbraw/zinc/26/42/75/217264275.db2.gz JBJQITMPVUMOEI-UHFFFAOYSA-N 0 3 266.344 3.406 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc([C@H](C)O)cc2)cc1 ZINC000172115371 372907328 /nfs/dbraw/zinc/90/73/28/372907328.db2.gz FBXHEYLXKPFVOF-HNNXBMFYSA-N 0 3 295.382 3.042 20 30 CGEDHN C[C@@H](O)CN(CCCC#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441265217 373000929 /nfs/dbraw/zinc/00/09/29/373000929.db2.gz RURKWZQVRBJSPA-UONOGXRCSA-N 0 3 294.826 3.258 20 30 CGEDHN CCc1cnc(CNCC2CCC(C#N)CC2)s1 ZINC000441347441 373002670 /nfs/dbraw/zinc/00/26/70/373002670.db2.gz AKSUYZBWKVVYGJ-UHFFFAOYSA-N 0 3 263.410 3.125 20 30 CGEDHN C=CCOc1cccc(CNCCC(C)(F)F)c1 ZINC000296103749 373022750 /nfs/dbraw/zinc/02/27/50/373022750.db2.gz RYNOQJFJDHAMQV-UHFFFAOYSA-N 0 3 255.308 3.386 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C12CCC2 ZINC000296315917 373087172 /nfs/dbraw/zinc/08/71/72/373087172.db2.gz PZDHWPCZGMWQOI-HOTGVXAUSA-N 0 3 288.366 3.135 20 30 CGEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000442829035 373099601 /nfs/dbraw/zinc/09/96/01/373099601.db2.gz OGDOTDYITCOSBS-RKLWJJNISA-N 0 3 276.355 3.184 20 30 CGEDHN CC(C)N(C)c1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442879862 373116167 /nfs/dbraw/zinc/11/61/67/373116167.db2.gz WPSVNDXYFGOWBG-GDBMZVCRSA-N 0 3 271.408 3.313 20 30 CGEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000443337894 373150859 /nfs/dbraw/zinc/15/08/59/373150859.db2.gz WCPLELAZGKVEFM-CKEIUWERSA-N 0 3 291.822 3.173 20 30 CGEDHN C=CC[C@@H]1N(C(=O)CN2[C@@H](C)CC[C@@H]2C)CCCC1(C)C ZINC000444641487 373219946 /nfs/dbraw/zinc/21/99/46/373219946.db2.gz VDMUWVJEBCTJAP-JYJNAYRXSA-N 0 3 292.467 3.453 20 30 CGEDHN CC(C)(C)OC(=O)[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000444652291 373222098 /nfs/dbraw/zinc/22/20/98/373222098.db2.gz REXFTKYSZKVLCB-CQSZACIVSA-N 0 3 294.439 3.370 20 30 CGEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000298087133 373289428 /nfs/dbraw/zinc/28/94/28/373289428.db2.gz JFGOOYRELDDVJB-SFHVURJKSA-N 0 3 292.382 3.182 20 30 CGEDHN Cc1cccc(O[C@@H](C)CNCc2ccc(C#N)o2)c1 ZINC000174571565 373338904 /nfs/dbraw/zinc/33/89/04/373338904.db2.gz MUAOHNMUWWWZBH-ZDUSSCGKSA-N 0 3 270.332 3.017 20 30 CGEDHN COc1ccc(O[C@@H](C)CNCc2ccc(C#N)cc2)cc1 ZINC000174604766 373343103 /nfs/dbraw/zinc/34/31/03/373343103.db2.gz MLLRVIPXQYIQDD-AWEZNQCLSA-N 0 3 296.370 3.124 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000446875017 373373358 /nfs/dbraw/zinc/37/33/58/373373358.db2.gz HPNPDSPVUWCAIG-ABAIWWIYSA-N 0 3 274.339 3.333 20 30 CGEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(C#N)cc1 ZINC000447072340 373401838 /nfs/dbraw/zinc/40/18/38/373401838.db2.gz JEOVNWRGYJXIQL-UHFFFAOYSA-N 0 3 282.391 3.211 20 30 CGEDHN C=CCCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000175653929 373498759 /nfs/dbraw/zinc/49/87/59/373498759.db2.gz WCJZMQAHMMGMKI-INIZCTEOSA-N 0 3 284.403 3.354 20 30 CGEDHN CC(C)(C)[C@H]1CN(CCCC(C)(C)C#N)CCO1 ZINC000447828568 373500643 /nfs/dbraw/zinc/50/06/43/373500643.db2.gz DSKHNFGNHIEWEP-CYBMUJFWSA-N 0 3 252.402 3.063 20 30 CGEDHN C=C(C)CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175834458 373526823 /nfs/dbraw/zinc/52/68/23/373526823.db2.gz IWCLSPYLJFLBDO-STQMWFEESA-N 0 3 251.395 3.212 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)cc1 ZINC000177330592 373677543 /nfs/dbraw/zinc/67/75/43/373677543.db2.gz RBSDLZZYFXOSJN-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449350868 373683487 /nfs/dbraw/zinc/68/34/87/373683487.db2.gz XJZQAEIAMBQOAE-OUCADQQQSA-N 0 3 273.336 3.328 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301187912 373686027 /nfs/dbraw/zinc/68/60/27/373686027.db2.gz UCTHDXKVBHEVGE-UHFFFAOYSA-N 0 3 293.342 3.186 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H]2CCCC[C@@H]2C1 ZINC000177561168 373690351 /nfs/dbraw/zinc/69/03/51/373690351.db2.gz ZCBIYQZQTJDXFY-FVQBIDKESA-N 0 3 297.402 3.007 20 30 CGEDHN CCC[C@@H](NCc1nc(C#N)cs1)C(C)(C)C ZINC000449473549 373759510 /nfs/dbraw/zinc/75/95/10/373759510.db2.gz QZBDGJHUNXRLHC-LLVKDONJSA-N 0 3 251.399 3.319 20 30 CGEDHN C=CCc1cc(CNC[C@@](C)(CC)OC)cc(OC)c1O ZINC000449478175 373764422 /nfs/dbraw/zinc/76/44/22/373764422.db2.gz RBUQDEFKVOUMPM-QGZVFWFLSA-N 0 3 293.407 3.034 20 30 CGEDHN N#Cc1cc(F)ccc1N1CCN(C2CCCCC2)CC1 ZINC000301381650 373765970 /nfs/dbraw/zinc/76/59/70/373765970.db2.gz ZLOQMQCWCXMGAQ-UHFFFAOYSA-N 0 3 287.382 3.152 20 30 CGEDHN CC[C@H]1CCCCN1CCNc1cc(C#N)ccc1C(C)=O ZINC000302131984 373819815 /nfs/dbraw/zinc/81/98/15/373819815.db2.gz YNNQIVCXIPQBPO-INIZCTEOSA-N 0 3 299.418 3.437 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OC)[C@@H](C)C2)c1 ZINC000449497015 373792522 /nfs/dbraw/zinc/79/25/22/373792522.db2.gz JTRHHSZHCQAONK-WMLDXEAASA-N 0 3 275.392 3.108 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000179457447 373876665 /nfs/dbraw/zinc/87/66/65/373876665.db2.gz RIZPWXJJTAMABJ-LLVKDONJSA-N 0 3 291.763 3.351 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000180454394 374008902 /nfs/dbraw/zinc/00/89/02/374008902.db2.gz BRALZKSDPNJPQI-LBPRGKRZSA-N 0 3 280.393 3.473 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000180457005 374011485 /nfs/dbraw/zinc/01/14/85/374011485.db2.gz IAHWTDPWFCVPJV-GFCCVEGCSA-N 0 3 279.405 3.028 20 30 CGEDHN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000180537341 374018163 /nfs/dbraw/zinc/01/81/63/374018163.db2.gz YNBRHFREWJAGNF-OLZOCXBDSA-N 0 3 298.390 3.043 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000180864589 374054856 /nfs/dbraw/zinc/05/48/56/374054856.db2.gz LVXXLOKFLQDVPM-TZMCWYRMSA-N 0 3 295.810 3.108 20 30 CGEDHN C=CCCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181194 541911325 /nfs/dbraw/zinc/91/13/25/541911325.db2.gz ALBZABMYHZBFAR-HTQZYQBOSA-N 0 3 261.209 3.235 20 30 CGEDHN CCN(CC(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182651931 374305911 /nfs/dbraw/zinc/30/59/11/374305911.db2.gz RQOVEFLFQQDEEL-KRWDZBQOSA-N 0 3 299.418 3.032 20 30 CGEDHN CC[C@H]1CCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000329180914 374400079 /nfs/dbraw/zinc/40/00/79/374400079.db2.gz NFKDOAOENJAHHY-QWRGUYRKSA-N 0 3 293.436 3.388 20 30 CGEDHN CCN1CCC(NC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000328695678 374377254 /nfs/dbraw/zinc/37/72/54/374377254.db2.gz KORRCRKGLMVVOR-UHFFFAOYSA-N 0 3 291.395 3.121 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000453273555 374384834 /nfs/dbraw/zinc/38/48/34/374384834.db2.gz WIGWRMANVZUFDE-MKBNYLNASA-N 0 3 278.371 3.409 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000186699550 374902614 /nfs/dbraw/zinc/90/26/14/374902614.db2.gz JLWXBBVKXIDAPU-ZWNOBZJWSA-N 0 3 273.298 3.293 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Br)s1 ZINC000186688605 374898816 /nfs/dbraw/zinc/89/88/16/374898816.db2.gz DYEDQKOEWMUTES-IUCAKERBSA-N 0 3 290.226 3.098 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(SC)c(F)c1 ZINC000186698623 374900106 /nfs/dbraw/zinc/90/01/06/374900106.db2.gz AVMJOGUEXPHLGW-PWSUYJOCSA-N 0 3 269.385 3.135 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000334656744 374948606 /nfs/dbraw/zinc/94/86/06/374948606.db2.gz YFOBCGCUTYGRFU-WMLDXEAASA-N 0 3 280.375 3.153 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)CC(C)(C)CCC)CC1 ZINC000469378885 374988737 /nfs/dbraw/zinc/98/87/37/374988737.db2.gz KVBSOKZBDMPUJR-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN COC1(CNCc2ccc(C#N)s2)CCCCC1 ZINC000187446373 375022001 /nfs/dbraw/zinc/02/20/01/375022001.db2.gz HCAZTPZTYOLPDR-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN CC(C#N)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000472454303 375023052 /nfs/dbraw/zinc/02/30/52/375023052.db2.gz OBTPYAUNZMWTEH-AWEZNQCLSA-N 0 3 278.355 3.172 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCSC(C)(C)C1 ZINC000187695627 375075099 /nfs/dbraw/zinc/07/50/99/375075099.db2.gz OPOMIESGMJOAER-GFCCVEGCSA-N 0 3 260.406 3.447 20 30 CGEDHN C=C(C)[C@H](NCC[C@H]1CCOC1=O)c1ccc(F)c(F)c1 ZINC000187777829 375093173 /nfs/dbraw/zinc/09/31/73/375093173.db2.gz QSLATUJSAQBGSJ-NHYWBVRUSA-N 0 3 295.329 3.125 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1CCCC ZINC000473175568 375046331 /nfs/dbraw/zinc/04/63/31/375046331.db2.gz PKIAMBPUEUSXMZ-NVXWUHKLSA-N 0 3 280.456 3.360 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(n2ccnc2)CC1 ZINC000187663890 375065334 /nfs/dbraw/zinc/06/53/34/375065334.db2.gz OEIBBFACUZQRJI-AWEZNQCLSA-N 0 3 280.375 3.153 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC23CCCCC3)CC1 ZINC000477124256 375143483 /nfs/dbraw/zinc/14/34/83/375143483.db2.gz CTBCFZAAAABXLT-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C[C@@H](NC[C@@H]1CCSC1)c1ccc(C#N)cc1F ZINC000487548507 375251651 /nfs/dbraw/zinc/25/16/51/375251651.db2.gz CNZDDJJGUURFDU-PWSUYJOCSA-N 0 3 264.369 3.101 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000188550436 375230952 /nfs/dbraw/zinc/23/09/52/375230952.db2.gz BXUPQRBSASSKFN-JZXOWHBKSA-N 0 3 286.419 3.150 20 30 CGEDHN COCCN(Cc1cccc(C#N)c1F)[C@H]1CCC[C@H]1C ZINC000487981050 375289416 /nfs/dbraw/zinc/28/94/16/375289416.db2.gz NAAMWSXDBIKUIV-CJNGLKHVSA-N 0 3 290.382 3.334 20 30 CGEDHN C=CCCCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000488142601 375305220 /nfs/dbraw/zinc/30/52/20/375305220.db2.gz CCXBRHTXJGGULC-UHFFFAOYSA-N 0 3 275.352 3.094 20 30 CGEDHN CC(C#N)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000335344495 375264813 /nfs/dbraw/zinc/26/48/13/375264813.db2.gz IIMLHYNQUMXZMF-NSHDSACASA-N 0 3 276.767 3.385 20 30 CGEDHN C[C@](O)(CCNCc1ccc(C#N)s1)c1ccccc1 ZINC000189820429 375449519 /nfs/dbraw/zinc/44/95/19/375449519.db2.gz URHUZEHGMZHHNQ-INIZCTEOSA-N 0 3 286.400 3.007 20 30 CGEDHN C=CC[C@H](C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000190184750 375482554 /nfs/dbraw/zinc/48/25/54/375482554.db2.gz SRHODFTZQZGBLH-HFTRVMKXSA-N 0 3 298.430 3.088 20 30 CGEDHN CC#CCCN(C)Cc1ccc(Br)c(F)c1 ZINC000494269179 375486736 /nfs/dbraw/zinc/48/67/36/375486736.db2.gz VWQTVSYGHCCYMY-UHFFFAOYSA-N 0 3 284.172 3.433 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)CC1CCCC1)C(C)C ZINC000496014404 375511357 /nfs/dbraw/zinc/51/13/57/375511357.db2.gz OMIVHUOQHGBKCL-QGZVFWFLSA-N 0 3 292.467 3.382 20 30 CGEDHN C[C@@H](N[C@@H]1CCCC1(C)C)C(=O)Nc1ccccc1C#N ZINC000191307151 375607398 /nfs/dbraw/zinc/60/73/98/375607398.db2.gz HWWRICQBZPFJQY-IUODEOHRSA-N 0 3 285.391 3.054 20 30 CGEDHN C[C@H](N[C@@H]1CCCC1(C)C)C(=O)Nc1ccccc1C#N ZINC000191307132 375607422 /nfs/dbraw/zinc/60/74/22/375607422.db2.gz HWWRICQBZPFJQY-SWLSCSKDSA-N 0 3 285.391 3.054 20 30 CGEDHN CN(Cc1ccc(C#N)c(F)c1)CC1(O)CCCCCC1 ZINC000192206552 375712457 /nfs/dbraw/zinc/71/24/57/375712457.db2.gz OXAUKZJFAVDIOP-UHFFFAOYSA-N 0 3 290.382 3.214 20 30 CGEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192218065 375714380 /nfs/dbraw/zinc/71/43/80/375714380.db2.gz SFHKBZOGSQJCML-KRWDZBQOSA-N 0 3 290.382 3.070 20 30 CGEDHN CN(Cc1cccc(C#N)c1)CC1(O)CCCCCC1 ZINC000192706514 375780912 /nfs/dbraw/zinc/78/09/12/375780912.db2.gz DPRRQBSQNSQOLW-UHFFFAOYSA-N 0 3 272.392 3.075 20 30 CGEDHN C=C(C)CCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000509592558 375781966 /nfs/dbraw/zinc/78/19/66/375781966.db2.gz OPIJATOQFRHSJK-KRWDZBQOSA-N 0 3 259.393 3.286 20 30 CGEDHN C=CCCCCN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000515126986 375809676 /nfs/dbraw/zinc/80/96/76/375809676.db2.gz HXJNAGAZTXFECI-CRAIPNDOSA-N 0 3 265.422 3.052 20 30 CGEDHN N#CCc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000526083811 375891101 /nfs/dbraw/zinc/89/11/01/375891101.db2.gz FZTGFNGGHSRALN-SFHVURJKSA-N 0 3 277.371 3.389 20 30 CGEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000528603433 375906145 /nfs/dbraw/zinc/90/61/45/375906145.db2.gz DAAQRQAGIOUJOH-GOSISDBHSA-N 0 3 297.446 3.133 20 30 CGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000532586647 375952729 /nfs/dbraw/zinc/95/27/29/375952729.db2.gz XNGZIJSOCCBIID-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(Br)cs1 ZINC000194173150 375966384 /nfs/dbraw/zinc/96/63/84/375966384.db2.gz JDNOOJKPASRTAB-WPRPVWTQSA-N 0 3 290.226 3.098 20 30 CGEDHN C=CCN1CC[C@H](N2CCCCC[C@@H]2c2ccccc2)C1=O ZINC000337147975 376102617 /nfs/dbraw/zinc/10/26/17/376102617.db2.gz ZSWKWFWIVWEINQ-MSOLQXFVSA-N 0 3 298.430 3.391 20 30 CGEDHN CC(C)(C)CN(CCC#N)CCCC1(C#N)CCOCC1 ZINC000337196830 376128860 /nfs/dbraw/zinc/12/88/60/376128860.db2.gz WQBWLCKMIXREFV-UHFFFAOYSA-N 0 3 291.439 3.349 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337500793 376225648 /nfs/dbraw/zinc/22/56/48/376225648.db2.gz LMHQUACAAFIMRE-BMFZPTHFSA-N 0 3 257.381 3.390 20 30 CGEDHN C=C(CC)CN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541024958 376415035 /nfs/dbraw/zinc/41/50/35/376415035.db2.gz VENPQYAKFCFDDP-CYBMUJFWSA-N 0 3 273.298 3.295 20 30 CGEDHN O[C@@H]1CCC[C@H]1[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000228497379 376437844 /nfs/dbraw/zinc/43/78/44/376437844.db2.gz AJLWXQVUYWEWOK-GBESFXJTSA-N 0 3 283.415 3.054 20 30 CGEDHN CCN(C[C@H](C)C#N)C[C@H]1CCc2ccccc2C1 ZINC000542917119 376593329 /nfs/dbraw/zinc/59/33/29/376593329.db2.gz UUUPFKQMLKASDW-CABCVRRESA-N 0 3 256.393 3.273 20 30 CGEDHN CC[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000234067638 376610636 /nfs/dbraw/zinc/61/06/36/376610636.db2.gz CEHUCRGMYRRUCA-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3ncc4n3CCCC4)C2)C1 ZINC000339158126 376716799 /nfs/dbraw/zinc/71/67/99/376716799.db2.gz ZTUNMNAXFYTKPU-OAGGEKHMSA-N 0 3 298.434 3.091 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544442719 376738135 /nfs/dbraw/zinc/73/81/35/376738135.db2.gz UMYPGOKICXBMRY-XYPHTWIQSA-N 0 3 286.419 3.348 20 30 CGEDHN CSCc1cnc(CNCC(C)(C)CCC#N)s1 ZINC000339399050 376750748 /nfs/dbraw/zinc/75/07/48/376750748.db2.gz DSLYOQYJBBCHGH-UHFFFAOYSA-N 0 3 283.466 3.426 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000339429515 376755574 /nfs/dbraw/zinc/75/55/74/376755574.db2.gz YKOLWSXQMFRFPU-GZBFAFLISA-N 0 3 298.365 3.354 20 30 CGEDHN N#Cc1c(CN2CC[C@@H](CC3CC3)C2)cn2ccccc12 ZINC000339671344 376798815 /nfs/dbraw/zinc/79/88/15/376798815.db2.gz GXAQDDYVDCIILC-HNNXBMFYSA-N 0 3 279.387 3.433 20 30 CGEDHN CC(C)(C#N)CCCCN1CC[C@H](OC(F)F)C1 ZINC000555070302 376854498 /nfs/dbraw/zinc/85/44/98/376854498.db2.gz AMHIEJVZIYXBJU-NSHDSACASA-N 0 3 260.328 3.020 20 30 CGEDHN C=CCC1(C(=O)N(CC)C[C@@H]2CCCN2CC)CCC1 ZINC000555727790 376858150 /nfs/dbraw/zinc/85/81/50/376858150.db2.gz NYLHOOFOTPSVRV-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccnc(OC)c1 ZINC000339865012 376871122 /nfs/dbraw/zinc/87/11/22/376871122.db2.gz HRVLNNVNPVMARU-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)[C@H](C)C1 ZINC000245884999 376925210 /nfs/dbraw/zinc/92/52/10/376925210.db2.gz ISZSSTLBENQMHZ-QWHCGFSZSA-N 0 3 258.365 3.045 20 30 CGEDHN CCCC[C@@H]1CCC[C@H]1NCc1ccc(C#N)cn1 ZINC000558244254 376988144 /nfs/dbraw/zinc/98/81/44/376988144.db2.gz SIWNCGSEOUVLQR-GDBMZVCRSA-N 0 3 257.381 3.402 20 30 CGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[C@@H]1C ZINC000248366873 377294933 /nfs/dbraw/zinc/29/49/33/377294933.db2.gz SQEDNNIBYBSYCX-OWCLPIDISA-N 0 3 299.418 3.052 20 30 CGEDHN C[C@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000248369271 377296918 /nfs/dbraw/zinc/29/69/18/377296918.db2.gz WBKNJAVYZGHNLK-STQMWFEESA-N 0 3 253.349 3.041 20 30 CGEDHN CCCC[C@@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000567087057 377504331 /nfs/dbraw/zinc/50/43/31/377504331.db2.gz CPFMDLMKWALAEI-OAHLLOKOSA-N 0 3 293.455 3.182 20 30 CGEDHN C=CCCCCN[C@@H](COC)c1ccc(F)cc1 ZINC000565756710 377488556 /nfs/dbraw/zinc/48/85/56/377488556.db2.gz PNUCVQKZDUZURF-HNNXBMFYSA-N 0 3 251.345 3.459 20 30 CGEDHN N#Cc1csc(CNCCc2ccccc2F)c1 ZINC000093492132 249038247 /nfs/dbraw/zinc/03/82/47/249038247.db2.gz YCNGANDMXCRACP-UHFFFAOYSA-N 0 3 260.337 3.091 20 30 CGEDHN CCc1nn(C)c(CC)c1CN1CCC(CCC#N)CC1 ZINC000567906213 377511321 /nfs/dbraw/zinc/51/13/21/377511321.db2.gz OWJZSVFUGLJEDM-UHFFFAOYSA-N 0 3 288.439 3.061 20 30 CGEDHN C=CCCCCCNC(=O)c1cccc(CN(C)C)c1 ZINC000568223598 377515035 /nfs/dbraw/zinc/51/50/35/377515035.db2.gz QKGXHELWFMEESA-UHFFFAOYSA-N 0 3 274.408 3.224 20 30 CGEDHN CC1(C)CC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000514611855 249183158 /nfs/dbraw/zinc/18/31/58/249183158.db2.gz MHQHZXRVAUXBEB-CYBMUJFWSA-N 0 3 280.318 3.438 20 30 CGEDHN N#Cc1cccc(CCNCc2scnc2C2CC2)c1 ZINC000341493711 377592272 /nfs/dbraw/zinc/59/22/72/377592272.db2.gz WFBJDEJQAMYFTH-UHFFFAOYSA-N 0 3 283.400 3.224 20 30 CGEDHN N#CCC[C@H](NC[C@H]1CCCOC1)c1ccccc1 ZINC000342202612 377633554 /nfs/dbraw/zinc/63/35/54/377633554.db2.gz KGFJADXJJUFNRR-ZBFHGGJFSA-N 0 3 258.365 3.048 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](OCCCc3ccccc3)C2)C1 ZINC000575022535 377739011 /nfs/dbraw/zinc/73/90/11/377739011.db2.gz HERTZSWNLLDUCZ-QRVBRYPASA-N 0 3 298.430 3.402 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000342767210 377780522 /nfs/dbraw/zinc/78/05/22/377780522.db2.gz YFOMSUHGEXUARZ-AWEZNQCLSA-N 0 3 266.429 3.064 20 30 CGEDHN CC[C@H](C)N[C@@H](CNc1ncccc1C#N)c1ccco1 ZINC000343259128 377941403 /nfs/dbraw/zinc/94/14/03/377941403.db2.gz XTQIOQLHUNXDTH-JSGCOSHPSA-N 0 3 284.363 3.088 20 30 CGEDHN CC1CCC(N(C[C@H]2CCCO2)CC2(C#N)CC2)CC1 ZINC000343312319 377950516 /nfs/dbraw/zinc/95/05/16/377950516.db2.gz AGQCRDCBTYRMHC-UYSNPLJNSA-N 0 3 276.424 3.350 20 30 CGEDHN Cc1ccc2ncc(CN[C@H](C)c3ccc(C#N)cc3)n2c1 ZINC000343153720 377915294 /nfs/dbraw/zinc/91/52/94/377915294.db2.gz MNFKXLHSXMUAAN-CQSZACIVSA-N 0 3 290.370 3.365 20 30 CGEDHN CC(C)CN(CCCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000266007133 378013145 /nfs/dbraw/zinc/01/31/45/378013145.db2.gz QKQGLIMDXDASBW-INIZCTEOSA-N 0 3 278.371 3.121 20 30 CGEDHN C=CCCN(C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000343474454 377989852 /nfs/dbraw/zinc/98/98/52/377989852.db2.gz SKFZGEFXRXYVCS-UHFFFAOYSA-N 0 3 271.364 3.093 20 30 CGEDHN C[C@H](C#N)S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000578131739 378039363 /nfs/dbraw/zinc/03/93/63/378039363.db2.gz RXSRAAOWKSPCQV-UKRRQHHQSA-N 0 3 260.406 3.296 20 30 CGEDHN CCCN(CC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343645282 378052402 /nfs/dbraw/zinc/05/24/02/378052402.db2.gz JTXXYOVSJJTYBU-LLVKDONJSA-N 0 3 293.798 3.271 20 30 CGEDHN C=CCC(CC=C)C(=O)NCCN1CCCC[C@H]1CC ZINC000343668825 378059919 /nfs/dbraw/zinc/05/99/19/378059919.db2.gz JERNDCZLBPCFIN-MRXNPFEDSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000343928384 378135418 /nfs/dbraw/zinc/13/54/18/378135418.db2.gz BMNRYWYKPJAJOF-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN N#Cc1ncccc1S[C@@H]1CCN(Cc2ccccc2)C1 ZINC000580094616 378224086 /nfs/dbraw/zinc/22/40/86/378224086.db2.gz QHYKHSKRGSCHPR-OAHLLOKOSA-N 0 3 295.411 3.320 20 30 CGEDHN C=C(C)CN1CCN(CC(=C)C)[C@@H]([C@H](C)CC)C1 ZINC000270010176 378293906 /nfs/dbraw/zinc/29/39/06/378293906.db2.gz LPPCSQRYHWALML-HZPDHXFCSA-N 0 3 250.430 3.171 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345316158 378254261 /nfs/dbraw/zinc/25/42/61/378254261.db2.gz RMVBLHQUJKDTAI-HNNXBMFYSA-N 0 3 292.810 3.073 20 30 CGEDHN C#CCCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000271062351 378446041 /nfs/dbraw/zinc/44/60/41/378446041.db2.gz STMIMKRMLLRXRZ-HNNXBMFYSA-N 0 3 272.392 3.139 20 30 CGEDHN CC[C@H](Cc1ccccc1)N(CC)C(=O)C(C)C#N ZINC000346056425 378452436 /nfs/dbraw/zinc/45/24/36/378452436.db2.gz BHGTWKAPUWZFSR-UKRRQHHQSA-N 0 3 258.365 3.016 20 30 CGEDHN CCN(Cc1ccn(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000271098666 378452692 /nfs/dbraw/zinc/45/26/92/378452692.db2.gz ODVNENUNVRCPOA-CQSZACIVSA-N 0 3 267.376 3.480 20 30 CGEDHN C[C@H](NC[C@@H]1CSCCS1)c1ccc(C#N)c(F)c1 ZINC000271924180 378518132 /nfs/dbraw/zinc/51/81/32/378518132.db2.gz FTHVWWZVRRBDBD-GXFFZTMASA-N 0 3 296.436 3.197 20 30 CGEDHN C#CCCOc1ccc(CN[C@H](C)[C@@H]2CCCCO2)cc1 ZINC000272021509 378547873 /nfs/dbraw/zinc/54/78/73/378547873.db2.gz RWIPXIZAZNKZGW-QAPCUYQASA-N 0 3 287.403 3.136 20 30 CGEDHN CC(C)N(CCOc1ccc(C#N)cc1)Cc1ccco1 ZINC000346288112 378533840 /nfs/dbraw/zinc/53/38/40/378533840.db2.gz DSHXAOLLJPTPRM-UHFFFAOYSA-N 0 3 284.359 3.441 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(CO)cc1 ZINC000272263927 378599310 /nfs/dbraw/zinc/59/93/10/378599310.db2.gz KMTOXRJJBBQGOZ-UHFFFAOYSA-N 0 3 271.360 3.003 20 30 CGEDHN C=CCN(Cc1ccc(CO)cc1)Cc1ccc(OC)cc1 ZINC000272294747 378605198 /nfs/dbraw/zinc/60/51/98/378605198.db2.gz HNMAPZDAISCHMT-UHFFFAOYSA-N 0 3 297.398 3.376 20 30 CGEDHN N#CCCCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000346843753 378694642 /nfs/dbraw/zinc/69/46/42/378694642.db2.gz YFFQTCIKODTASD-ZDUSSCGKSA-N 0 3 264.756 3.447 20 30 CGEDHN C=CCOCCCN[C@H](c1ncc(C)s1)C1CC1 ZINC000348040165 378763108 /nfs/dbraw/zinc/76/31/08/378763108.db2.gz VRAMIHUBFUCTGH-ZDUSSCGKSA-N 0 3 266.410 3.085 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCC2(CCC2)C1 ZINC000348191338 378830629 /nfs/dbraw/zinc/83/06/29/378830629.db2.gz CIFSSLVHESDUIL-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(COCCOC)cc1 ZINC000348356347 378926490 /nfs/dbraw/zinc/92/64/90/378926490.db2.gz MWYVGAXPDHARPR-SFHVURJKSA-N 0 3 289.419 3.390 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000639062143 378996068 /nfs/dbraw/zinc/99/60/68/378996068.db2.gz RBVVBHCMCPBTFW-UHFFFAOYSA-N 0 3 297.402 3.090 20 30 CGEDHN Cc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1C ZINC000276967972 379033573 /nfs/dbraw/zinc/03/35/73/379033573.db2.gz OJYWYHATQDLLCY-AWEZNQCLSA-N 0 3 267.376 3.364 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccco3)C2)cc1F ZINC000370681513 379051266 /nfs/dbraw/zinc/05/12/66/379051266.db2.gz BJQFIEJAXGDUBG-AWEZNQCLSA-N 0 3 270.307 3.280 20 30 CGEDHN C=CCN1CCC(Nc2ccc3ccc(F)cc3n2)CC1 ZINC000266418356 190256087 /nfs/dbraw/zinc/25/60/87/190256087.db2.gz RQBUIWOLRBTIIR-UHFFFAOYSA-N 0 3 285.366 3.436 20 30 CGEDHN C#Cc1ccc(CNCc2sc(C)nc2C)cc1 ZINC000278837220 194176763 /nfs/dbraw/zinc/17/67/63/194176763.db2.gz CZVPKTARZRWLFK-UHFFFAOYSA-N 0 3 256.374 3.031 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000349429000 379280340 /nfs/dbraw/zinc/28/03/40/379280340.db2.gz PIYIKWJAXNMYBY-UXIGCNINSA-N 0 3 274.339 3.321 20 30 CGEDHN CC[C@H](NC[C@H](O)c1ccccc1F)c1ccc(C#N)cc1 ZINC000278284331 379336690 /nfs/dbraw/zinc/33/66/90/379336690.db2.gz QFWTVYIJKYDCCG-ROUUACIJSA-N 0 3 298.361 3.472 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000279360489 379419632 /nfs/dbraw/zinc/41/96/32/379419632.db2.gz KINJEPYWLRFNLL-LJQANCHMSA-N 0 3 292.382 3.256 20 30 CGEDHN C=CCC[C@@H](NCc1ncnn1-c1ccccc1)C1CC1 ZINC000279633369 379476355 /nfs/dbraw/zinc/47/63/55/379476355.db2.gz ZKKSUFUYBQQQLR-MRXNPFEDSA-N 0 3 282.391 3.102 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(OCC)c1)C1CC1 ZINC000350270729 379532503 /nfs/dbraw/zinc/53/25/03/379532503.db2.gz UKXVDNVTAPVQJT-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1oc(-c2ccccc2)nc1C ZINC000639664344 379534957 /nfs/dbraw/zinc/53/49/57/379534957.db2.gz QISQEUAJJSVPJY-CVEARBPZSA-N 0 3 298.386 3.473 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H](C)c2ccccc2)n1 ZINC000279727041 379502693 /nfs/dbraw/zinc/50/26/93/379502693.db2.gz MTBJQQGFRRHRLH-INIZCTEOSA-N 0 3 281.403 3.142 20 30 CGEDHN C[C@@H]1C[C@H](c2cccnc2)N(CCC(C)(C)C#N)C1 ZINC000376550413 379577004 /nfs/dbraw/zinc/57/70/04/379577004.db2.gz DUIJLVOAHZAFHS-UKRRQHHQSA-N 0 3 257.381 3.404 20 30 CGEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)CCC1(F)F ZINC000352018305 379750199 /nfs/dbraw/zinc/75/01/99/379750199.db2.gz PKMVXIUWYUWFNV-CYBMUJFWSA-N 0 3 286.366 3.064 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000280636810 379752000 /nfs/dbraw/zinc/75/20/00/379752000.db2.gz XWUPYXWWFSUMTF-GOSISDBHSA-N 0 3 297.402 3.202 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cccnc1Cl ZINC000280908867 379809468 /nfs/dbraw/zinc/80/94/68/379809468.db2.gz RUQUTJKVUMANPA-OBJOEFQTSA-N 0 3 280.799 3.367 20 30 CGEDHN CSc1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000280650592 379756868 /nfs/dbraw/zinc/75/68/68/379756868.db2.gz ODNLGXVSNMGIKB-UHFFFAOYSA-N 0 3 272.373 3.205 20 30 CGEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000280719609 379772604 /nfs/dbraw/zinc/77/26/04/379772604.db2.gz CAQYKYOFFYLXKF-OTWHNJEPSA-N 0 3 298.430 3.464 20 30 CGEDHN CC1(C)CN(CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000378831690 379857780 /nfs/dbraw/zinc/85/77/80/379857780.db2.gz KHVKNCBTCWDFFT-HZPDHXFCSA-N 0 3 297.402 3.007 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(SC)o1 ZINC000641752669 380078759 /nfs/dbraw/zinc/07/87/59/380078759.db2.gz LFVBAPKGPIBGIA-RISCZKNCSA-N 0 3 267.394 3.072 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](COC(F)F)C1 ZINC000353027197 380080994 /nfs/dbraw/zinc/08/09/94/380080994.db2.gz MKVYSBWFUMKJEG-YPMHNXCESA-N 0 3 280.318 3.180 20 30 CGEDHN COc1cccc(C2=CCN([C@@H](C)CCC#N)CC2)c1 ZINC000411217942 380136968 /nfs/dbraw/zinc/13/69/68/380136968.db2.gz HXYNIDRICFLZKC-AWEZNQCLSA-N 0 3 270.376 3.477 20 30 CGEDHN CN(CCc1nccs1)CCC1(C#N)CCCCC1 ZINC000411399118 380142116 /nfs/dbraw/zinc/14/21/16/380142116.db2.gz FGHIAPGYCISYRH-UHFFFAOYSA-N 0 3 277.437 3.482 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)CCOC ZINC000411189765 380134302 /nfs/dbraw/zinc/13/43/02/380134302.db2.gz GLSIGCBJRJIUMG-CYBMUJFWSA-N 0 3 278.352 3.008 20 30 CGEDHN COc1cc(CNCc2cccc3[nH]ccc32)ccc1C#N ZINC000353251058 380189555 /nfs/dbraw/zinc/18/95/55/380189555.db2.gz QHIFTRWSVPYRBS-UHFFFAOYSA-N 0 3 291.354 3.338 20 30 CGEDHN Cc1c([C@@H](C)NCC(C)(C)CC#N)cnn1C(C)C ZINC000414167206 380197595 /nfs/dbraw/zinc/19/75/95/380197595.db2.gz OVUYXRZAAIMGKT-GFCCVEGCSA-N 0 3 262.401 3.363 20 30 CGEDHN C=C(C)[C@H](NCCC1(O)CCC1)c1ccc(F)c(F)c1 ZINC000411559847 380151841 /nfs/dbraw/zinc/15/18/41/380151841.db2.gz WSHRXCVGLRMIMW-HNNXBMFYSA-N 0 3 281.346 3.477 20 30 CGEDHN C=CCC[C@@H](NCCCN1CCCCC1=O)c1ccco1 ZINC000353505063 380210193 /nfs/dbraw/zinc/21/01/93/380210193.db2.gz UPDDMKXYHLWRBR-OAHLLOKOSA-N 0 3 290.407 3.279 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccn(C)n1 ZINC000414301415 380211616 /nfs/dbraw/zinc/21/16/16/380211616.db2.gz MWRXYILWJIETIT-HOCLYGCPSA-N 0 3 269.392 3.258 20 30 CGEDHN Cc1c(CN[C@H](CCCC#N)c2ccccc2)cnn1C ZINC000353916920 380233245 /nfs/dbraw/zinc/23/32/45/380233245.db2.gz RXTWJINWJKUXBR-QGZVFWFLSA-N 0 3 282.391 3.253 20 30 CGEDHN C=C(C)COCCN[C@@H](c1ccc(F)cn1)C(C)C ZINC000354034971 380290300 /nfs/dbraw/zinc/29/03/00/380290300.db2.gz IWWWLRWQFWJEQN-OAHLLOKOSA-N 0 3 266.360 3.100 20 30 CGEDHN C=CCOCCN[C@H](c1ccc(OC)cc1F)C(C)C ZINC000643348422 380291211 /nfs/dbraw/zinc/29/12/11/380291211.db2.gz GTZFLDHLKOMVSK-INIZCTEOSA-N 0 3 281.371 3.324 20 30 CGEDHN C[C@H](NCc1cccc2nccn21)c1ccc(C#N)cc1 ZINC000354291032 380387847 /nfs/dbraw/zinc/38/78/47/380387847.db2.gz ZNDZEZOZPDDBCD-ZDUSSCGKSA-N 0 3 276.343 3.057 20 30 CGEDHN C=C(C)[C@H](CO)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000644786064 380510817 /nfs/dbraw/zinc/51/08/17/380510817.db2.gz BOGDQEOIQLYCDN-CABCVRRESA-N 0 3 297.851 3.443 20 30 CGEDHN C=CCOCCNC/C(C)=C/c1ccccc1COC ZINC000644888258 380539272 /nfs/dbraw/zinc/53/92/72/380539272.db2.gz DZGMCVCNSSPPAU-NTCAYCPXSA-N 0 3 275.392 3.029 20 30 CGEDHN C=CCOCCNC/C(C)=C\c1ccccc1COC ZINC000644888259 380539842 /nfs/dbraw/zinc/53/98/42/380539842.db2.gz DZGMCVCNSSPPAU-QINSGFPZSA-N 0 3 275.392 3.029 20 30 CGEDHN C[C@@H](CCN1CCC(C#N)CC1)OCc1ccccc1 ZINC000354857193 380560974 /nfs/dbraw/zinc/56/09/74/380560974.db2.gz KBXVOXDNTIUFKI-HNNXBMFYSA-N 0 3 272.392 3.217 20 30 CGEDHN C=CCOCCN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000645116042 380587407 /nfs/dbraw/zinc/58/74/07/380587407.db2.gz BTDAYRLPQUPDOT-SFHVURJKSA-N 0 3 288.435 3.006 20 30 CGEDHN N#Cc1csc(CN[C@H](CO)CC2CCCCC2)c1 ZINC000418127087 380706774 /nfs/dbraw/zinc/70/67/74/380706774.db2.gz NELHHYHKZDKJBD-AWEZNQCLSA-N 0 3 278.421 3.041 20 30 CGEDHN C=C(CC)CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418268527 380715691 /nfs/dbraw/zinc/71/56/91/380715691.db2.gz RPEVPSQFJPXFCB-KRWDZBQOSA-N 0 3 297.402 3.105 20 30 CGEDHN COCCCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000419376945 380822328 /nfs/dbraw/zinc/82/23/28/380822328.db2.gz AELQBEXBHVIXFZ-UHFFFAOYSA-N 0 3 299.336 3.415 20 30 CGEDHN N#CCSCCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420950082 380863004 /nfs/dbraw/zinc/86/30/04/380863004.db2.gz PMKGLUUXWISCNR-NSHDSACASA-N 0 3 280.359 3.298 20 30 CGEDHN CC[C@H]1C[C@@H](CN(C)Cc2cc(C#N)ccc2F)CCO1 ZINC000356912525 380934788 /nfs/dbraw/zinc/93/47/88/380934788.db2.gz JPFXQNJRSLHGMH-HOCLYGCPSA-N 0 3 290.382 3.334 20 30 CGEDHN C[C@H](C1CCC1)N(C)Cc1cn2ccccc2c1C#N ZINC000357038451 381006248 /nfs/dbraw/zinc/00/62/48/381006248.db2.gz NGTVZYRBOHQSNO-CYBMUJFWSA-N 0 3 267.376 3.431 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000358319219 381303473 /nfs/dbraw/zinc/30/34/73/381303473.db2.gz NVGKAVWAFJLCAG-ZIAGYGMSSA-N 0 3 285.391 3.224 20 30 CGEDHN CC[C@@H](C)CN(CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000361336087 381703707 /nfs/dbraw/zinc/70/37/07/381703707.db2.gz MDCATBUIEXROFJ-CYBMUJFWSA-N 0 3 298.390 3.476 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@](C)(CC)C1 ZINC000362390375 381971130 /nfs/dbraw/zinc/97/11/30/381971130.db2.gz ITYUFWXDUAAZDL-DOTOQJQBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367044514 382331546 /nfs/dbraw/zinc/33/15/46/382331546.db2.gz WJUOTQNTOZNVDR-OCCSQVGLSA-N 0 3 250.773 3.450 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](c2noc(C)n2)C1 ZINC000365850036 382296386 /nfs/dbraw/zinc/29/63/86/382296386.db2.gz QVBHZJNSRZHAMA-CQSZACIVSA-N 0 3 263.385 3.304 20 30 CGEDHN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C(C)(C)C1 ZINC000350338613 219010925 /nfs/dbraw/zinc/01/09/25/219010925.db2.gz ZBSNAABPPSFUIJ-ZDUSSCGKSA-N 0 3 267.376 3.431 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000308645178 542423608 /nfs/dbraw/zinc/42/36/08/542423608.db2.gz HCYLSPXNRRCQFZ-IUCAKERBSA-N 0 3 255.159 3.069 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(OCCC(C)C)cc1 ZINC000184287674 262277038 /nfs/dbraw/zinc/27/70/38/262277038.db2.gz DGZCEHJCMGLWAH-INIZCTEOSA-N 0 3 277.408 3.138 20 30 CGEDHN Cc1ccccc1CN1CCN(CC(C)(C)CCC#N)CC1 ZINC000179693881 260064680 /nfs/dbraw/zinc/06/46/80/260064680.db2.gz ZKCGTJFJKXYVAX-UHFFFAOYSA-N 0 3 299.462 3.443 20 30 CGEDHN C=CCOc1ccccc1CNCCc1ccc(O)cc1 ZINC000040736125 391985245 /nfs/dbraw/zinc/98/52/45/391985245.db2.gz KZBTUTIIRKCPRC-UHFFFAOYSA-N 0 3 283.371 3.289 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1nccs1)C(C)C ZINC000093396943 392236989 /nfs/dbraw/zinc/23/69/89/392236989.db2.gz ARDLTAKDFIYORM-GJZGRUSLSA-N 0 3 293.480 3.492 20 30 CGEDHN C=CCOc1ccc(CN(C)CC[C@H](C)O)cc1Cl ZINC000093481112 392237860 /nfs/dbraw/zinc/23/78/60/392237860.db2.gz OUCNWHINBSULIA-LBPRGKRZSA-N 0 3 283.799 3.108 20 30 CGEDHN C=CCCCN(C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093533690 392239346 /nfs/dbraw/zinc/23/93/46/392239346.db2.gz YLAYFXGYZDUYEV-UHFFFAOYSA-N 0 3 273.355 3.409 20 30 CGEDHN N#Cc1ccc(CNCCOc2cccc(Cl)c2)cc1 ZINC000069833240 392175847 /nfs/dbraw/zinc/17/58/47/392175847.db2.gz FNKUZYLNPPGYEU-UHFFFAOYSA-N 0 3 286.762 3.380 20 30 CGEDHN C=CCOc1cccc(CN[C@H]2CCCc3nn(C)cc32)c1 ZINC000283062797 392298943 /nfs/dbraw/zinc/29/89/43/392298943.db2.gz UDWOEWNXUGDEJT-KRWDZBQOSA-N 0 3 297.402 3.152 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccco1 ZINC000285513932 392325344 /nfs/dbraw/zinc/32/53/44/392325344.db2.gz AVESJYRPGPZVRL-CWRNSKLLSA-N 0 3 274.408 3.359 20 30 CGEDHN C=CCC[C@H](NC[C@@H]1CCCC[C@H]1O)c1ccco1 ZINC000285990793 392360579 /nfs/dbraw/zinc/36/05/79/392360579.db2.gz IBGURFKWSSLEAG-SOUVJXGZSA-N 0 3 263.381 3.428 20 30 CGEDHN C=CCC[C@@H](CCC)N[C@@H](c1nncn1C)C(C)C ZINC000289070433 392413465 /nfs/dbraw/zinc/41/34/65/392413465.db2.gz AEMBVQXRJCDCMD-ZIAGYGMSSA-N 0 3 264.417 3.237 20 30 CGEDHN C#C[C@H](NCc1ccc2c(c1)COC(C)(C)O2)C(C)C ZINC000289398441 392420358 /nfs/dbraw/zinc/42/03/58/392420358.db2.gz OIPLBODXUPEWRV-HNNXBMFYSA-N 0 3 273.376 3.079 20 30 CGEDHN C#C[C@H](C)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000289373146 392420424 /nfs/dbraw/zinc/42/04/24/392420424.db2.gz LQOGIERGNZVFPD-QMMMGPOBSA-N 0 3 259.683 3.053 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000290366842 392446331 /nfs/dbraw/zinc/44/63/31/392446331.db2.gz GUGYQYZCZQTMFD-CZUORRHYSA-N 0 3 292.398 3.147 20 30 CGEDHN CCCCCCCN1C[C@H](C)OC2(CCOCC2)C1 ZINC000366096111 392450177 /nfs/dbraw/zinc/45/01/77/392450177.db2.gz QHOBVBNQXJZAOB-HNNXBMFYSA-N 0 3 269.429 3.227 20 30 CGEDHN C=CCCCN(C)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000121081414 392406373 /nfs/dbraw/zinc/40/63/73/392406373.db2.gz AELVJGNFMQSFSE-MRXNPFEDSA-N 0 3 290.407 3.310 20 30 CGEDHN CC#CCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000155195562 392539628 /nfs/dbraw/zinc/53/96/28/392539628.db2.gz LVJHBRWETCPTGS-QGZVFWFLSA-N 0 3 257.377 3.081 20 30 CGEDHN Cc1nc(NC[C@H](c2cccs2)N(C)C)ccc1C#N ZINC000291650070 392476208 /nfs/dbraw/zinc/47/62/08/392476208.db2.gz NOFLONZOPGLMSV-CYBMUJFWSA-N 0 3 286.404 3.038 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(F)cc1Cl ZINC000320379474 392670580 /nfs/dbraw/zinc/67/05/80/392670580.db2.gz KSJQPWQEALDXBD-JQWIXIFHSA-N 0 3 271.763 3.457 20 30 CGEDHN CC(C)(C#N)CCCNC(C)(C)c1nccs1 ZINC000174866362 392647626 /nfs/dbraw/zinc/64/76/26/392647626.db2.gz ZHPUHUGPDZOOED-UHFFFAOYSA-N 0 3 251.399 3.298 20 30 CGEDHN CN(CCCC(C)(C)C#N)Cc1ccc(Cl)nc1 ZINC000177627797 392664042 /nfs/dbraw/zinc/66/40/42/392664042.db2.gz VJIJGKKGOIWFMB-UHFFFAOYSA-N 0 3 265.788 3.497 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647345436 392695471 /nfs/dbraw/zinc/69/54/71/392695471.db2.gz JHHNBHXFWCLJFJ-WFASDCNBSA-N 0 3 251.345 3.194 20 30 CGEDHN N#CCC1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000334202742 392709841 /nfs/dbraw/zinc/70/98/41/392709841.db2.gz PEGRGJODINMINP-UHFFFAOYSA-N 0 3 283.350 3.500 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(Nc3ccc(F)cc3)CC2)C1 ZINC000334263900 392716082 /nfs/dbraw/zinc/71/60/82/392716082.db2.gz KFYWFBUWLXOCJW-SUMWQHHRSA-N 0 3 287.382 3.394 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@@H](CCCO)c1ccccc1 ZINC000186322482 392782560 /nfs/dbraw/zinc/78/25/60/392782560.db2.gz RLJAGUDFXNUXST-IBGZPJMESA-N 0 3 294.398 3.470 20 30 CGEDHN COc1cc(F)c(CNCC(C)(C)CCC#N)cc1OC ZINC000519656942 392878991 /nfs/dbraw/zinc/87/89/91/392878991.db2.gz UBDRKJKTFQNBNB-UHFFFAOYSA-N 0 3 294.370 3.262 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1nc2ccccc2nc1C ZINC000489511536 542715817 /nfs/dbraw/zinc/71/58/17/542715817.db2.gz NFLODHVFFQENLK-AWEZNQCLSA-N 0 3 267.376 3.479 20 30 CGEDHN C=CCOCCN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000339078299 392945273 /nfs/dbraw/zinc/94/52/73/392945273.db2.gz QBELGXLASGNZHQ-WFASDCNBSA-N 0 3 283.799 3.208 20 30 CGEDHN N#CCCOCCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000339081306 392945407 /nfs/dbraw/zinc/94/54/07/392945407.db2.gz NVOCLODYZOKZPN-OAGJVSPASA-N 0 3 270.376 3.094 20 30 CGEDHN C=CCOCCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000339061457 392943041 /nfs/dbraw/zinc/94/30/41/392943041.db2.gz KSLQFMJPUSZWQO-OLZOCXBDSA-N 0 3 263.356 3.336 20 30 CGEDHN C=CCOCCN1CC=C(c2cccc(C)c2)CC1 ZINC000339064310 392943193 /nfs/dbraw/zinc/94/31/93/392943193.db2.gz FFOUOVAPZWZDHM-UHFFFAOYSA-N 0 3 257.377 3.287 20 30 CGEDHN N#CCCOCCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000339081305 392945774 /nfs/dbraw/zinc/94/57/74/392945774.db2.gz NVOCLODYZOKZPN-IBSYWUHOSA-N 0 3 270.376 3.094 20 30 CGEDHN CCSc1ccc([C@@H](C)NCCOCCC#N)cc1 ZINC000339073706 392945862 /nfs/dbraw/zinc/94/58/62/392945862.db2.gz DKFBLVHYZJMIQV-CYBMUJFWSA-N 0 3 278.421 3.379 20 30 CGEDHN COc1ccc([C@H](NCc2cccc(C#N)c2)C2CC2)cn1 ZINC000527840051 392961443 /nfs/dbraw/zinc/96/14/43/392961443.db2.gz BTSGXBOKGCYOID-GOSISDBHSA-N 0 3 293.370 3.203 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(F)(F)C[C@@H]1C ZINC000528765212 392971230 /nfs/dbraw/zinc/97/12/30/392971230.db2.gz AVGFAFZCBZXZDJ-LBPRGKRZSA-N 0 3 264.319 3.486 20 30 CGEDHN COc1ccc(CN(C)CCCSCC#N)cc1Cl ZINC000412034546 392995510 /nfs/dbraw/zinc/99/55/10/392995510.db2.gz DUQMTIWFURSNHC-UHFFFAOYSA-N 0 3 298.839 3.427 20 30 CGEDHN C=CCSCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934435 393025295 /nfs/dbraw/zinc/02/52/95/393025295.db2.gz ALCDWKIORVSLEM-UHFFFAOYSA-N 0 3 287.812 3.063 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1csc(N(C)C)n1 ZINC000648467335 393039583 /nfs/dbraw/zinc/03/95/83/393039583.db2.gz RKFOATRFPJFPQG-GFCCVEGCSA-N 0 3 267.442 3.434 20 30 CGEDHN COc1ccc(CNCCCCC#N)c(Cl)c1 ZINC000348848825 393133952 /nfs/dbraw/zinc/13/39/52/393133952.db2.gz ONRQOIKREBGBFK-UHFFFAOYSA-N 0 3 252.745 3.132 20 30 CGEDHN CC#CCN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349368612 393146289 /nfs/dbraw/zinc/14/62/89/393146289.db2.gz KAGDGTCXYSDEIL-OAHLLOKOSA-N 0 3 286.423 3.055 20 30 CGEDHN CC#CCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000349368612 393146301 /nfs/dbraw/zinc/14/63/01/393146301.db2.gz KAGDGTCXYSDEIL-OAHLLOKOSA-N 0 3 286.423 3.055 20 30 CGEDHN C=CC[C@H](C)[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352836353 393211380 /nfs/dbraw/zinc/21/13/80/393211380.db2.gz KKTINVQQYCEUBU-VIFPVBQESA-N 0 3 259.271 3.465 20 30 CGEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000470948093 393267255 /nfs/dbraw/zinc/26/72/55/393267255.db2.gz KHGVURNUXVIYBX-BXUZGUMPSA-N 0 3 298.308 3.210 20 30 CGEDHN C[C@H](Nc1cc(C#N)ccn1)[C@@H](c1ccccc1)N(C)C ZINC000357682696 393514021 /nfs/dbraw/zinc/51/40/21/393514021.db2.gz GANHFVIPXPNWLD-GUYCJALGSA-N 0 3 280.375 3.057 20 30 CGEDHN C=CCCCC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000359534016 393550142 /nfs/dbraw/zinc/55/01/42/393550142.db2.gz BBIXHAPBWWPWDX-KGLIPLIRSA-N 0 3 278.396 3.181 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000359534017 393550879 /nfs/dbraw/zinc/55/08/79/393550879.db2.gz BBIXHAPBWWPWDX-UONOGXRCSA-N 0 3 278.396 3.181 20 30 CGEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000613255461 542776262 /nfs/dbraw/zinc/77/62/62/542776262.db2.gz FKZMSSMKPYUXKD-UKRRQHHQSA-N 0 3 258.365 3.176 20 30 CGEDHN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(C)n1 ZINC000421202421 393595687 /nfs/dbraw/zinc/59/56/87/393595687.db2.gz OKDILMPVGHAVHP-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN C=CCOc1ccc(CN(C(C)C)[C@H]2CCOC2)cc1 ZINC000361054491 393657628 /nfs/dbraw/zinc/65/76/28/393657628.db2.gz UFKHOUJFYSNDCG-INIZCTEOSA-N 0 3 275.392 3.251 20 30 CGEDHN Cc1cc(CNCCCC(=O)OC(C)(C)C)ccc1C#N ZINC000444002065 393782466 /nfs/dbraw/zinc/78/24/66/393782466.db2.gz DERFCPIXCKPHSE-UHFFFAOYSA-N 0 3 288.391 3.078 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CCCC1 ZINC000449612873 393920983 /nfs/dbraw/zinc/92/09/83/393920983.db2.gz PCLJFTPZBHGHQZ-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN Cc1cc(CN(Cc2cnn(C)c2)CC(C)C)ccc1C#N ZINC000453605748 394256273 /nfs/dbraw/zinc/25/62/73/394256273.db2.gz COFGQZLLELKELG-UHFFFAOYSA-N 0 3 296.418 3.258 20 30 CGEDHN CC[C@@]1(C(C)C)C[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000453617931 394260007 /nfs/dbraw/zinc/26/00/07/394260007.db2.gz UEVNLJLRLWVBNR-WBVHZDCISA-N 0 3 282.391 3.120 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(OC)c(O)c2)C1 ZINC000668492451 543021068 /nfs/dbraw/zinc/02/10/68/543021068.db2.gz BAZMZKAAOKUGFY-ZDUSSCGKSA-N 0 3 261.365 3.189 20 30 CGEDHN OCC[C@H]1CCCCCN1CC#Cc1cccc(Cl)c1 ZINC000671248338 543165604 /nfs/dbraw/zinc/16/56/04/543165604.db2.gz RCBCMZCJZIPKMT-QGZVFWFLSA-N 0 3 291.822 3.319 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000671699629 543177852 /nfs/dbraw/zinc/17/78/52/543177852.db2.gz KTMXPCNXAGYURO-DLBZAZTESA-N 0 3 295.373 3.485 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000671745211 543185048 /nfs/dbraw/zinc/18/50/48/543185048.db2.gz BXLHWWLQAFEHQM-NSHDSACASA-N 0 3 281.340 3.423 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cs1 ZINC000671745405 543185217 /nfs/dbraw/zinc/18/52/17/543185217.db2.gz VBVRWCMXLWSXGE-GFCCVEGCSA-N 0 3 295.367 3.433 20 30 CGEDHN C=CCCCCN1CCC2(C1)Oc1ccccc1O2 ZINC000649628450 397717544 /nfs/dbraw/zinc/71/75/44/397717544.db2.gz UULCJLLETWOHGK-UHFFFAOYSA-N 0 3 259.349 3.216 20 30 CGEDHN COCC#CCNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000677818746 543468289 /nfs/dbraw/zinc/46/82/89/543468289.db2.gz HPCKJAWGHMSPAE-UHFFFAOYSA-N 0 3 286.202 3.468 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(Cc2ccccc2F)CC1 ZINC000678049969 543479315 /nfs/dbraw/zinc/47/93/15/543479315.db2.gz RKUNKJFPAJANSS-QGZVFWFLSA-N 0 3 277.383 3.017 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000678796335 543559565 /nfs/dbraw/zinc/55/95/65/543559565.db2.gz UFGZZIUDOHPKCJ-WBMJQRKESA-N 0 3 293.382 3.202 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)CC[C@@H]1C ZINC000076149691 165109788 /nfs/dbraw/zinc/10/97/88/165109788.db2.gz CFHJZSYZWCXLOD-KBPBESRZSA-N 0 3 288.391 3.066 20 30 CGEDHN CCc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)o1 ZINC000090107278 287099875 /nfs/dbraw/zinc/09/98/75/287099875.db2.gz ZNLIONRLJIVTTK-CYBMUJFWSA-N 0 3 284.359 3.443 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000091098254 165257246 /nfs/dbraw/zinc/25/72/46/165257246.db2.gz LFWIMZVSBRAFAK-AWEZNQCLSA-N 0 3 278.421 3.140 20 30 CGEDHN N#CCOc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000035273622 172094309 /nfs/dbraw/zinc/09/43/09/172094309.db2.gz PINYANPMAYDZEQ-INIZCTEOSA-N 0 3 282.343 3.349 20 30 CGEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccnc1 ZINC000037229071 173049452 /nfs/dbraw/zinc/04/94/52/173049452.db2.gz LSXWMGYTKPGWBZ-STQMWFEESA-N 0 3 251.333 3.365 20 30 CGEDHN C[C@@H](Cc1ccco1)NCc1ccc(C#N)cc1F ZINC000038093139 174107075 /nfs/dbraw/zinc/10/70/75/174107075.db2.gz NUJFXAYNAWCJFX-NSHDSACASA-N 0 3 258.296 3.011 20 30 CGEDHN C=CCOCCNCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000679486540 543640261 /nfs/dbraw/zinc/64/02/61/543640261.db2.gz QESCCXFPOCAVHO-UHFFFAOYSA-N 0 3 291.782 3.022 20 30 CGEDHN C=CCOCCN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000679576164 543647935 /nfs/dbraw/zinc/64/79/35/543647935.db2.gz JRBRYPBFXFWBTF-CQSZACIVSA-N 0 3 281.783 3.346 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(c2cccc(F)c2F)CC1 ZINC000681168427 543772785 /nfs/dbraw/zinc/77/27/85/543772785.db2.gz FUGJXQCCSVUDHE-OAHLLOKOSA-N 0 3 281.346 3.081 20 30 CGEDHN CCc1oc2ccccc2c1CN(C)C(=O)C(C)C#N ZINC000347077765 226016884 /nfs/dbraw/zinc/01/68/84/226016884.db2.gz UZSQTZLKQWTDQO-LLVKDONJSA-N 0 3 270.332 3.113 20 30 CGEDHN CC(C#N)C(=O)NCCSCc1cccc2ccccc21 ZINC000347061216 226009170 /nfs/dbraw/zinc/00/91/70/226009170.db2.gz DPOODAHERVTPLD-CYBMUJFWSA-N 0 3 298.411 3.349 20 30 CGEDHN CCC#C[C@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000684005279 543959991 /nfs/dbraw/zinc/95/99/91/543959991.db2.gz PLZNTGJHIDQBNY-HNNXBMFYSA-N 0 3 285.435 3.201 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc(C)sc1C ZINC000684773953 544028685 /nfs/dbraw/zinc/02/86/85/544028685.db2.gz MVJSLZYPBNXZPJ-XEGUGMAKSA-N 0 3 280.437 3.392 20 30 CGEDHN N#CC(C(=O)c1cc(Cl)cc(Cl)c1)c1ccncn1 ZINC000354480583 227011145 /nfs/dbraw/zinc/01/11/45/227011145.db2.gz XOKKCOZWQOOBSK-LLVKDONJSA-N 0 3 292.125 3.273 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000334141526 227332387 /nfs/dbraw/zinc/33/23/87/227332387.db2.gz KQTLGNRQTGYCKA-GFCCVEGCSA-N 0 3 281.359 3.034 20 30 CGEDHN C=CCC1(NC(=O)Nc2ccc3c(c2)CNCC3)CCCC1 ZINC000659018655 418956287 /nfs/dbraw/zinc/95/62/87/418956287.db2.gz RRPKTOHRQFQVHF-UHFFFAOYSA-N 0 3 299.418 3.343 20 30 CGEDHN C=CCN(CCO[C@@H]1CC1(F)F)Cc1ccc(OC)cc1 ZINC000659849861 419011308 /nfs/dbraw/zinc/01/13/08/419011308.db2.gz TYKVLSQEWBZQQI-OAHLLOKOSA-N 0 3 297.345 3.107 20 30 CGEDHN C=CCCCCCNCc1nc2c(s1)CCC2 ZINC000655825684 419108950 /nfs/dbraw/zinc/10/89/50/419108950.db2.gz MDRWRSAOPVWWJI-UHFFFAOYSA-N 0 3 250.411 3.468 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)[C@@H](C)c2ccccc2)nn1 ZINC000653609031 419059545 /nfs/dbraw/zinc/05/95/45/419059545.db2.gz UKIIXMLQGBTNKG-CABCVRRESA-N 0 3 284.407 3.136 20 30 CGEDHN C=CCCn1cc(CN[C@@H](CCCC)C2CCC2)nn1 ZINC000653614376 419059850 /nfs/dbraw/zinc/05/98/50/419059850.db2.gz ZNRVYGXXQHACGY-INIZCTEOSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC(C)(C)C[C@@H]2C)nn1 ZINC000653619767 419060346 /nfs/dbraw/zinc/06/03/46/419060346.db2.gz DJROSIZUTQZKKQ-ZFWWWQNUSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CC[C@H]1N(Cc2cc(OC)no2)CCCC1(C)C ZINC000660423485 419141633 /nfs/dbraw/zinc/14/16/33/419141633.db2.gz RKYQZZPTAHPFFM-CYBMUJFWSA-N 0 3 264.369 3.250 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](OC)[C@H]1CCOC1 ZINC000660446976 419146577 /nfs/dbraw/zinc/14/65/77/419146577.db2.gz VSMXDDNKAODRSY-ROUUACIJSA-N 0 3 289.419 3.116 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@@H](N)CCC)nn1 ZINC000656457024 419173725 /nfs/dbraw/zinc/17/37/25/419173725.db2.gz CQCSOLGRVSTHHG-CVEARBPZSA-N 0 3 284.407 3.438 20 30 CGEDHN C=CCCn1cc(CNC[C@@H](c2ccccc2)C(C)C)nn1 ZINC000657303849 419246991 /nfs/dbraw/zinc/24/69/91/419246991.db2.gz BIGNGTUJBLMJJF-GOSISDBHSA-N 0 3 298.434 3.384 20 30 CGEDHN C=C(CNCc1ccnn1CCC)c1ccccc1 ZINC000657334319 419252555 /nfs/dbraw/zinc/25/25/55/419252555.db2.gz VUNVGYVUSKTPOG-UHFFFAOYSA-N 0 3 255.365 3.096 20 30 CGEDHN C=CCCn1cc(CNCC[C@@H]2CCCC[C@@H]2C)nn1 ZINC000657361632 419259156 /nfs/dbraw/zinc/25/91/56/419259156.db2.gz OPHQYMCWWMKXBV-GJZGRUSLSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCCC1(CN[C@H](C(N)=O)c2ccccc2)CCCC1 ZINC000656679160 419199555 /nfs/dbraw/zinc/19/95/55/419199555.db2.gz FXXIBYQYCYONSY-INIZCTEOSA-N 0 3 286.419 3.329 20 30 CGEDHN C=CCCn1cc(CN[C@H](CCC)C2CCCC2)nn1 ZINC000657490293 419291825 /nfs/dbraw/zinc/29/18/25/419291825.db2.gz IDSDEXGXCMMVHC-MRXNPFEDSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cn(C2CCC2)nn1 ZINC000657495226 419293946 /nfs/dbraw/zinc/29/39/46/419293946.db2.gz JRLZOLQYXVFUHQ-MRXNPFEDSA-N 0 3 296.418 3.280 20 30 CGEDHN C=CCN(CC(=O)NCCCc1ccccc1)C(C)(C)C ZINC000661755031 419294677 /nfs/dbraw/zinc/29/46/77/419294677.db2.gz GTPHTEAZMMYKIL-UHFFFAOYSA-N 0 3 288.435 3.022 20 30 CGEDHN C=CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000661754889 419294795 /nfs/dbraw/zinc/29/47/95/419294795.db2.gz FMUNVXCVPRPXQB-ZDUSSCGKSA-N 0 3 292.398 3.289 20 30 CGEDHN C=CCN(Cc1ncc(C)c(OC)c1C)C(C)(C)C ZINC000661756311 419295322 /nfs/dbraw/zinc/29/53/22/419295322.db2.gz JPWUQYIAGXZNLA-UHFFFAOYSA-N 0 3 262.397 3.494 20 30 CGEDHN C=CCN(CC(=O)NCc1ccc(CC)s1)C(C)(C)C ZINC000661756434 419295334 /nfs/dbraw/zinc/29/53/34/419295334.db2.gz OUKNEHSBFARGPW-UHFFFAOYSA-N 0 3 294.464 3.213 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCCC[C@H]2CC=C)nn1 ZINC000657529703 419299558 /nfs/dbraw/zinc/29/95/58/419299558.db2.gz HAWMCFDGAJHNNZ-ZBFHGGJFSA-N 0 3 274.412 3.079 20 30 CGEDHN C=CCOCCCNCc1ccc(OC)cc1Cl ZINC000657657759 419320431 /nfs/dbraw/zinc/32/04/31/419320431.db2.gz BHCMKEJWLJSEHC-UHFFFAOYSA-N 0 3 269.772 3.031 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc2c1OCOC2 ZINC000662078070 419332970 /nfs/dbraw/zinc/33/29/70/419332970.db2.gz HIVSWEDDCUKYSG-IYBDPMFKSA-N 0 3 289.350 3.375 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(F)cc1 ZINC000662087533 419335080 /nfs/dbraw/zinc/33/50/80/419335080.db2.gz BTEOURWWHGYQNO-CALCHBBNSA-N 0 3 255.336 3.360 20 30 CGEDHN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1ccccn1 ZINC000336041875 228181927 /nfs/dbraw/zinc/18/19/27/228181927.db2.gz FTPVSKVVECFZBI-GFCCVEGCSA-N 0 3 274.682 3.364 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1csc(N(C)C)n1 ZINC000657899058 419422316 /nfs/dbraw/zinc/42/23/16/419422316.db2.gz UPIZSUHSXWIXCJ-JSGCOSHPSA-N 0 3 279.453 3.434 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C)s1 ZINC000657971359 419468021 /nfs/dbraw/zinc/46/80/21/419468021.db2.gz KCJWNBBXZSBMEC-NEPJUHHUSA-N 0 3 251.399 3.071 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc2cnccc2o1 ZINC000658029258 419505723 /nfs/dbraw/zinc/50/57/23/419505723.db2.gz ILQKPZQAAOFHGT-BNOWGMLFSA-N 0 3 272.348 3.212 20 30 CGEDHN C=CCCC1(CN[C@H]2CCn3ccnc32)CCCC1 ZINC000658100033 419581097 /nfs/dbraw/zinc/58/10/97/419581097.db2.gz YWMCSTGSDHYTGS-AWEZNQCLSA-N 0 3 259.397 3.444 20 30 CGEDHN C=CCOCCCN[C@H]1CCCOc2ccc(OC)cc21 ZINC000658210356 419661198 /nfs/dbraw/zinc/66/11/98/419661198.db2.gz QYSJSJHXUACXOW-INIZCTEOSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000658208948 419660024 /nfs/dbraw/zinc/66/00/24/419660024.db2.gz AGKBSDWSKOBJTL-NSHDSACASA-N 0 3 255.308 3.208 20 30 CGEDHN C=CCCCN(C)Cc1ccc(C(C)C)cc(=O)c1O ZINC000663828756 419733489 /nfs/dbraw/zinc/73/34/89/419733489.db2.gz DDAYFHNAAHNNHY-UHFFFAOYSA-N 0 3 275.392 3.274 20 30 CGEDHN COc1cc(C#N)ccc1CN(CC(C)C)C1CC1 ZINC000179655462 260062411 /nfs/dbraw/zinc/06/24/11/260062411.db2.gz ZMPOXAJLFNXSON-UHFFFAOYSA-N 0 3 258.365 3.187 20 30 CGEDHN CCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000374290558 260256915 /nfs/dbraw/zinc/25/69/15/260256915.db2.gz DKFZYNUSDBPFJR-UHFFFAOYSA-N 0 3 257.381 3.129 20 30 CGEDHN C=CCCCN(C)Cc1ccnn1-c1ccccc1 ZINC000448338664 261120773 /nfs/dbraw/zinc/12/07/73/261120773.db2.gz FBRKLBDMJQHZFA-UHFFFAOYSA-N 0 3 255.365 3.270 20 30 CGEDHN CC#CCCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000464434591 261180721 /nfs/dbraw/zinc/18/07/21/261180721.db2.gz ALPMNDJMOXPMDE-WMZOPIPTSA-N 0 3 298.430 3.132 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000192730748 262209328 /nfs/dbraw/zinc/20/93/28/262209328.db2.gz DJBCYAZIJIAXJI-VNHYZAJKSA-N 0 3 260.381 3.469 20 30 CGEDHN COC[C@@H](NCCCSCC#N)c1ccc(Cl)cc1 ZINC000193660024 262225596 /nfs/dbraw/zinc/22/55/96/262225596.db2.gz AQXVPKQLSQBVOE-CQSZACIVSA-N 0 3 298.839 3.264 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000188379660 262292994 /nfs/dbraw/zinc/29/29/94/262292994.db2.gz SLEUQGDJUIVGTA-YJBOKZPZSA-N 0 3 288.435 3.225 20 30 CGEDHN COc1ccccc1C(C)(C)NCCC(C)(C)C#N ZINC000272041377 263001522 /nfs/dbraw/zinc/00/15/22/263001522.db2.gz RGJAFDBWGMJEPT-UHFFFAOYSA-N 0 3 260.381 3.460 20 30 CGEDHN COc1cccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000274192970 263021807 /nfs/dbraw/zinc/02/18/07/263021807.db2.gz IJBYMXBYQGHIKC-KCQAQPDRSA-N 0 3 258.365 3.428 20 30 CGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000274611965 263027716 /nfs/dbraw/zinc/02/77/16/263027716.db2.gz KNCMPXPIBGIYPH-UBHSHLNASA-N 0 3 274.412 3.289 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](O)c2cc(F)cc(Cl)c2)C1 ZINC000279619321 263056356 /nfs/dbraw/zinc/05/63/56/263056356.db2.gz YCQDQJMTGQJUMU-KMUNFCNLSA-N 0 3 296.773 3.184 20 30 CGEDHN CC(C)(C#N)CCN1CCC(N2CCc3ccccc32)CC1 ZINC000281885620 263072697 /nfs/dbraw/zinc/07/26/97/263072697.db2.gz AOUOMWPAWTUUSI-UHFFFAOYSA-N 0 3 297.446 3.453 20 30 CGEDHN CCCCCCCCCN[C@H](C)c1ccc(=O)[nH]n1 ZINC000285602007 263094447 /nfs/dbraw/zinc/09/44/47/263094447.db2.gz JUDMVVIIIATQOR-CYBMUJFWSA-N 0 3 265.401 3.171 20 30 CGEDHN COC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000287736641 263102567 /nfs/dbraw/zinc/10/25/67/263102567.db2.gz YREFLSDGBZQUOF-TZMCWYRMSA-N 0 3 287.363 3.037 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000452592666 263117832 /nfs/dbraw/zinc/11/78/32/263117832.db2.gz QYAOPUHAYXDBOC-SDBXPKJASA-N 0 3 280.730 3.206 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H]1OCCc2sccc21 ZINC000291893560 263126348 /nfs/dbraw/zinc/12/63/48/263126348.db2.gz KVRKRDJRCRZEIM-JFILPPLUSA-N 0 3 290.432 3.422 20 30 CGEDHN CC(C)(C#N)CCN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000292883145 263136149 /nfs/dbraw/zinc/13/61/49/263136149.db2.gz YBRRINBVOJUHDD-MRXNPFEDSA-N 0 3 286.419 3.420 20 30 CGEDHN CC[C@H]1CCN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000292891269 263136158 /nfs/dbraw/zinc/13/61/58/263136158.db2.gz YXABBJNOHWDHBM-HNNXBMFYSA-N 0 3 288.391 3.362 20 30 CGEDHN CN(CCOc1ccccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000293389188 263139544 /nfs/dbraw/zinc/13/95/44/263139544.db2.gz GSGLQEBXECJMOF-OLZOCXBDSA-N 0 3 278.783 3.343 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000293836477 263150436 /nfs/dbraw/zinc/15/04/36/263150436.db2.gz QESQVJMQQYXFJP-OIISXLGYSA-N 0 3 269.392 3.255 20 30 CGEDHN CC(NCCOCCC#N)(c1ccccc1)c1ccccc1 ZINC000293908270 263152161 /nfs/dbraw/zinc/15/21/61/263152161.db2.gz WTCQYUHZLNZJIO-UHFFFAOYSA-N 0 3 294.398 3.470 20 30 CGEDHN CC(C)c1nn(C)c(Cl)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000294933897 263169580 /nfs/dbraw/zinc/16/95/80/263169580.db2.gz BUOUPRYMHWNBHR-RYUDHWBXSA-N 0 3 294.830 3.369 20 30 CGEDHN N#CCCCCNCc1cccc(Br)c1F ZINC000294971367 263170310 /nfs/dbraw/zinc/17/03/10/263170310.db2.gz GLBWWXNXINOKES-UHFFFAOYSA-N 0 3 285.160 3.372 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000341882181 263361806 /nfs/dbraw/zinc/36/18/06/263361806.db2.gz GOHHYGGWSCDQPD-BXUZGUMPSA-N 0 3 281.396 3.137 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(F)cc1Cl ZINC000341882436 263362499 /nfs/dbraw/zinc/36/24/99/263362499.db2.gz SQHLYGHSSBZFKU-MNOVXSKESA-N 0 3 271.763 3.314 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccccc1Br ZINC000341885445 263363448 /nfs/dbraw/zinc/36/34/48/263363448.db2.gz XGGDEDLMVJDJQD-NEPJUHHUSA-N 0 3 298.224 3.284 20 30 CGEDHN C=C(CC)CN(Cc1ccccc1)CC1(CO)CC1 ZINC000341978227 263368643 /nfs/dbraw/zinc/36/86/43/263368643.db2.gz VZSUMKDTZVSTKO-UHFFFAOYSA-N 0 3 259.393 3.227 20 30 CGEDHN C=CCSCCNCc1ccc(Cl)cc1F ZINC000189320499 264294841 /nfs/dbraw/zinc/29/48/41/264294841.db2.gz OSAIKGXSBUNGDJ-UHFFFAOYSA-N 0 3 259.777 3.488 20 30 CGEDHN C=CCc1cc(CN(C)[C@@H]2CCSC2)cc(OC)c1O ZINC000130534107 264352644 /nfs/dbraw/zinc/35/26/44/264352644.db2.gz YMIAQYGPFNVZRN-CQSZACIVSA-N 0 3 293.432 3.067 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccoc2CCC)CC1 ZINC000281427123 264485779 /nfs/dbraw/zinc/48/57/79/264485779.db2.gz ZIYUOMGKYWNNGL-UHFFFAOYSA-N 0 3 290.407 3.002 20 30 CGEDHN Cc1ccccc1CN(C)CCOc1ccc(C#N)cc1 ZINC000042268101 270032296 /nfs/dbraw/zinc/03/22/96/270032296.db2.gz DAUYICKODCSFGC-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN N#CC1(CCCN2CCC[C@H]2c2cccnc2)CCOCC1 ZINC000346980335 265123637 /nfs/dbraw/zinc/12/36/37/265123637.db2.gz VMUBEVHSYIYYML-KRWDZBQOSA-N 0 3 299.418 3.319 20 30 CGEDHN C=C(CC)CN1CCC(n2cc(Cl)cn2)CC1 ZINC000356444042 266114157 /nfs/dbraw/zinc/11/41/57/266114157.db2.gz BBAIUHRKLBRBLT-UHFFFAOYSA-N 0 3 253.777 3.140 20 30 CGEDHN N#Cc1ccccc1N1CCN(CCC2CCCC2)CC1 ZINC000525119859 270117088 /nfs/dbraw/zinc/11/70/88/270117088.db2.gz UYQNRBUDKYIMJF-UHFFFAOYSA-N 0 3 283.419 3.261 20 30 CGEDHN C=CCN(CCC(=O)Nc1cccc(F)c1C)C1CC1 ZINC000357524029 266315694 /nfs/dbraw/zinc/31/56/94/266315694.db2.gz AICLEGFMYLTDFA-UHFFFAOYSA-N 0 3 276.355 3.113 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357884016 266381986 /nfs/dbraw/zinc/38/19/86/266381986.db2.gz YPVGWOGXEMWZFA-WMLDXEAASA-N 0 3 274.408 3.069 20 30 CGEDHN COc1cc(CN2CCC(C(C)C)CC2)ccc1C#N ZINC000234960595 266809499 /nfs/dbraw/zinc/80/94/99/266809499.db2.gz ULMSUVKEOMISOZ-UHFFFAOYSA-N 0 3 272.392 3.435 20 30 CGEDHN CCC[C@H](CN[C@H]1CCc2ccc(C#N)cc21)OCC ZINC000527934579 267034855 /nfs/dbraw/zinc/03/48/55/267034855.db2.gz SQJUIJXGCBLJJK-WBVHZDCISA-N 0 3 272.392 3.340 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000370494599 267323789 /nfs/dbraw/zinc/32/37/89/267323789.db2.gz HAIJCDUOAKCNQF-BBRMVZONSA-N 0 3 281.346 3.429 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000418136036 267367684 /nfs/dbraw/zinc/36/76/84/267367684.db2.gz BUYFDXVBSGYECN-MNOVXSKESA-N 0 3 260.303 3.391 20 30 CGEDHN C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@H](C)N1C ZINC000338796358 274591964 /nfs/dbraw/zinc/59/19/64/274591964.db2.gz RXHNCVXEWNGSKA-QWRGUYRKSA-N 0 3 297.324 3.106 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2ccc(Cl)cc2)[C@H]2CCO[C@H]21 ZINC000296071065 275889637 /nfs/dbraw/zinc/88/96/37/275889637.db2.gz GOKFGWNJLUPQNV-BZUAXINKSA-N 0 3 289.806 3.095 20 30 CGEDHN C[C@H](c1ccco1)N(C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268659694 278314080 /nfs/dbraw/zinc/31/40/80/278314080.db2.gz ITMPQQVXOUYRNG-CXAGYDPISA-N 0 3 296.370 3.410 20 30 CGEDHN C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1 ZINC000371118749 278376945 /nfs/dbraw/zinc/37/69/45/278376945.db2.gz PXWTWQDQUVTGOW-AUUYWEPGSA-N 0 3 291.398 3.396 20 30 CGEDHN C[C@@]1(CCCO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000272073837 279157456 /nfs/dbraw/zinc/15/74/56/279157456.db2.gz ZUSIPCHYRAMWFQ-KRWDZBQOSA-N 0 3 291.822 3.319 20 30 CGEDHN Cc1cccc2c1CN(Cc1ccc(C#N)cc1)CC2 ZINC000429563715 281274855 /nfs/dbraw/zinc/27/48/55/281274855.db2.gz YWSRFIYEEDJQRG-UHFFFAOYSA-N 0 3 262.356 3.425 20 30 CGEDHN Cc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000540595536 288662914 /nfs/dbraw/zinc/66/29/14/288662914.db2.gz XVUOUGCJOKZCLP-KSSFIOAISA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@H](C#N)CN(C[C@@H](C)CC1CCOCC1)C1CC1 ZINC000349961053 289238870 /nfs/dbraw/zinc/23/88/70/289238870.db2.gz BAZQPPDUZRRWKS-UONOGXRCSA-N 0 3 264.413 3.063 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(CC)CC ZINC000554364890 289275969 /nfs/dbraw/zinc/27/59/69/289275969.db2.gz RISCFGDDZRJLEL-CVEARBPZSA-N 0 3 287.407 3.027 20 30 CGEDHN N#CC1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190950537 303147931 /nfs/dbraw/zinc/14/79/31/303147931.db2.gz FFNHZEYJJMXGRY-OAHLLOKOSA-N 0 3 262.397 3.104 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccc(Cl)cc2)C1 ZINC000185754254 327844378 /nfs/dbraw/zinc/84/43/78/327844378.db2.gz FHLPTIFWLFHOER-GXTWGEPZSA-N 0 3 278.783 3.391 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000274196145 328209270 /nfs/dbraw/zinc/20/92/70/328209270.db2.gz JHZCHBMLJRHBHJ-KCQAQPDRSA-N 0 3 258.365 3.428 20 30 CGEDHN Cc1cccc2oc(CCN[C@@H]3CCC[C@H](C#N)C3)nc21 ZINC000278367450 328225052 /nfs/dbraw/zinc/22/50/52/328225052.db2.gz BWZBUBNIEJQZHF-UONOGXRCSA-N 0 3 283.375 3.351 20 30 CGEDHN CN(c1ccccc1)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278690689 328229552 /nfs/dbraw/zinc/22/95/52/328229552.db2.gz SEZXIMJSHOWIQU-QAPCUYQASA-N 0 3 283.419 3.279 20 30 CGEDHN N#CCCCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000292939872 328273991 /nfs/dbraw/zinc/27/39/91/328273991.db2.gz DDFFPGANZSUTNF-HNNXBMFYSA-N 0 3 278.783 3.487 20 30 CGEDHN CC(C)Oc1cccc([C@@H](C)NCCOCCC#N)c1 ZINC000293875398 328278196 /nfs/dbraw/zinc/27/81/96/328278196.db2.gz SXYBATMEVDHMQU-CQSZACIVSA-N 0 3 276.380 3.055 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000294525986 328281515 /nfs/dbraw/zinc/28/15/15/328281515.db2.gz JJSJRUGZDPYLEX-LLVKDONJSA-N 0 3 286.297 3.286 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000294526701 328281519 /nfs/dbraw/zinc/28/15/19/328281519.db2.gz WWBZSKRHCGMYCB-GOSISDBHSA-N 0 3 297.402 3.161 20 30 CGEDHN C=C(C)CNCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000119642521 328307204 /nfs/dbraw/zinc/30/72/04/328307204.db2.gz UWWLFGZDYRYBNV-UHFFFAOYSA-N 0 3 298.386 3.335 20 30 CGEDHN CC[N@H+](Cc1ncccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000565507037 322080176 /nfs/dbraw/zinc/08/01/76/322080176.db2.gz CMVYNEYBPJACSD-ZDUSSCGKSA-N 0 3 281.359 3.242 20 30 CGEDHN CC[N@@H+](Cc1ncccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000565507037 322080178 /nfs/dbraw/zinc/08/01/78/322080178.db2.gz CMVYNEYBPJACSD-ZDUSSCGKSA-N 0 3 281.359 3.242 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000566306117 322115100 /nfs/dbraw/zinc/11/51/00/322115100.db2.gz GMQNIZJEQYPIDL-LLVKDONJSA-N 0 3 273.336 3.135 20 30 CGEDHN C[C@H](C1CCCCC1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000567093966 322150276 /nfs/dbraw/zinc/15/02/76/322150276.db2.gz XTWNLYCPCADCCW-CQSZACIVSA-N 0 3 299.418 3.397 20 30 CGEDHN CCCCC[C@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000567246632 322155955 /nfs/dbraw/zinc/15/59/55/322155955.db2.gz PJJYSDNWLFGAIF-INIZCTEOSA-N 0 3 257.381 3.498 20 30 CGEDHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)cn1 ZINC000572375169 322334045 /nfs/dbraw/zinc/33/40/45/322334045.db2.gz JJVRZJZEFSLZIQ-WMLDXEAASA-N 0 3 277.371 3.331 20 30 CGEDHN CCCN(CCC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027270150 326909999 /nfs/dbraw/zinc/90/99/99/326909999.db2.gz YRLJDXQEKVZDNU-UHFFFAOYSA-N 0 3 293.798 3.272 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cnn(C2CCCC2)c1 ZINC000558619022 327108706 /nfs/dbraw/zinc/10/87/06/327108706.db2.gz DSWGNZWTHUOBPJ-CYBMUJFWSA-N 0 3 272.396 3.343 20 30 CGEDHN C=CCN(CCCSCC#N)Cc1ccccc1 ZINC000074980922 327122536 /nfs/dbraw/zinc/12/25/36/327122536.db2.gz PRRRIENOAWFHRL-UHFFFAOYSA-N 0 3 260.406 3.321 20 30 CGEDHN C=CCN[C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558899129 327130270 /nfs/dbraw/zinc/13/02/70/327130270.db2.gz ACWBRYTWUADVJC-CABCVRRESA-N 0 3 282.790 3.390 20 30 CGEDHN CC#CCN(C)CCc1cccc(OC(F)(F)F)c1 ZINC000559459713 327246383 /nfs/dbraw/zinc/24/63/83/327246383.db2.gz YDXHRORJIHDIGW-UHFFFAOYSA-N 0 3 271.282 3.083 20 30 CGEDHN C=CC(C)(C)CNCc1ccc(Br)o1 ZINC000385055861 327330914 /nfs/dbraw/zinc/33/09/14/327330914.db2.gz SBMAKHBYJFRYTM-UHFFFAOYSA-N 0 3 258.159 3.344 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000565018829 327389601 /nfs/dbraw/zinc/38/96/01/327389601.db2.gz LOIMCOZIWLOFRR-XHSDSOJGSA-N 0 3 288.366 3.156 20 30 CGEDHN CC#CCCNCc1cc(-c2ccncc2)ccc1OC ZINC000360969780 328913414 /nfs/dbraw/zinc/91/34/14/328913414.db2.gz VVCWFVJATGSXGM-UHFFFAOYSA-N 0 3 280.371 3.260 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000171740716 329079878 /nfs/dbraw/zinc/07/98/78/329079878.db2.gz CSSWQESSRWVTSG-UHFFFAOYSA-N 0 3 287.407 3.075 20 30 CGEDHN C=C(C)CN1CCC([NH2+]Cc2cc(C)c(C)cc2[O-])CC1 ZINC000174363522 329156495 /nfs/dbraw/zinc/15/64/95/329156495.db2.gz LNRXQUQBKJQSQO-UHFFFAOYSA-N 0 3 288.435 3.139 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000178876052 329200697 /nfs/dbraw/zinc/20/06/97/329200697.db2.gz VRXYPFJWSPGVAJ-MRXNPFEDSA-N 0 3 274.408 3.282 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H](C)COC)cc1Cl ZINC000179366014 329204632 /nfs/dbraw/zinc/20/46/32/329204632.db2.gz SEWFBHJTWKYMKF-LBPRGKRZSA-N 0 3 283.799 3.372 20 30 CGEDHN C=CCSCCN[C@H]1CCCOc2ccc(OC)cc21 ZINC000180458900 329217689 /nfs/dbraw/zinc/21/76/89/329217689.db2.gz NMFVYUAGRVGUOR-HNNXBMFYSA-N 0 3 293.432 3.418 20 30 CGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000181049192 329225477 /nfs/dbraw/zinc/22/54/77/329225477.db2.gz GFXKTDULTFADBZ-UHFFFAOYSA-N 0 3 271.364 3.093 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccccc1OC(F)F ZINC000321095905 329258694 /nfs/dbraw/zinc/25/86/94/329258694.db2.gz LCRMQMKCRKAFAZ-RYUDHWBXSA-N 0 3 285.334 3.266 20 30 CGEDHN N#CCCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185329738 329272919 /nfs/dbraw/zinc/27/29/19/329272919.db2.gz BMUVLQSNMXLTIF-LBPRGKRZSA-N 0 3 264.319 3.448 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000185444630 329273702 /nfs/dbraw/zinc/27/37/02/329273702.db2.gz DPUOXSNHMAMJNL-CVEARBPZSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(C)cc1Br ZINC000321486512 329363287 /nfs/dbraw/zinc/36/32/87/329363287.db2.gz RWUTYMYTNKNZGO-CYBMUJFWSA-N 0 3 298.224 3.174 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190418742 329396588 /nfs/dbraw/zinc/39/65/88/329396588.db2.gz DVHYSKVAORKILM-PBHICJAKSA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccs1)C(C)C ZINC000046049340 329604021 /nfs/dbraw/zinc/60/40/21/329604021.db2.gz SHKKTDPJAUBEDU-CQSZACIVSA-N 0 3 292.448 3.177 20 30 CGEDHN Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c2ccccc2n1 ZINC000425277096 329652836 /nfs/dbraw/zinc/65/28/36/329652836.db2.gz XBFJONPFJHUHSJ-QWHCGFSZSA-N 0 3 251.333 3.069 20 30 CGEDHN C=CCN(CC=C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000051766983 329654063 /nfs/dbraw/zinc/65/40/63/329654063.db2.gz ISBDSHHSSBTDKC-GOSISDBHSA-N 0 3 298.430 3.244 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCCN2C)CCCCC1 ZINC000421713282 330069369 /nfs/dbraw/zinc/06/93/69/330069369.db2.gz SJJSXLZCBDKBMT-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccncc1Cl ZINC000421852462 330088004 /nfs/dbraw/zinc/08/80/04/330088004.db2.gz IHHHKUXMKKSOHD-ZOWXZIJZSA-N 0 3 280.799 3.367 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(F)cc1F ZINC000424135479 330270383 /nfs/dbraw/zinc/27/03/83/330270383.db2.gz JNRHXNNMESCDMW-ZETOZRRWSA-N 0 3 267.319 3.207 20 30 CGEDHN C=CC[C@@H](CC)NCc1ncc(Br)cc1F ZINC000527703075 330275206 /nfs/dbraw/zinc/27/52/06/330275206.db2.gz JRSZZHAXYCSZII-SNVBAGLBSA-N 0 3 287.176 3.428 20 30 CGEDHN CC(C)(C)[C@@H]1CN(C(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424182490 330319914 /nfs/dbraw/zinc/31/99/14/330319914.db2.gz AADOWADCSABNTM-HUUCEWRRSA-N 0 3 299.418 3.184 20 30 CGEDHN CC(C)Oc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424188889 330321978 /nfs/dbraw/zinc/32/19/78/330321978.db2.gz CQCVXVSZCAZEDA-DZGCQCFKSA-N 0 3 258.365 3.256 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](COC)c1cccc(Cl)c1 ZINC000424290738 330334810 /nfs/dbraw/zinc/33/48/10/330334810.db2.gz CBICFBAZKGLXRN-IMJJTQAJSA-N 0 3 295.810 3.208 20 30 CGEDHN COc1ncc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424330411 330342126 /nfs/dbraw/zinc/34/21/26/330342126.db2.gz QNSKPYCWUSBFOS-JBLDHEPKSA-N 0 3 279.771 3.086 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C#N)c(F)c1 ZINC000424333925 330343009 /nfs/dbraw/zinc/34/30/09/330343009.db2.gz UVUZPPQZYKAJDH-COPLHBTASA-N 0 3 257.312 3.040 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC1CCCCC1 ZINC000533222611 330353576 /nfs/dbraw/zinc/35/35/76/330353576.db2.gz IGTHXGVEKRWHFY-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)C2CCCC2)CC1 ZINC000119096297 330370165 /nfs/dbraw/zinc/37/01/65/330370165.db2.gz URLFYBOIABZTNY-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)C(C)(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000424582834 330387609 /nfs/dbraw/zinc/38/76/09/330387609.db2.gz KSTXDAJQAGQZHC-UHFFFAOYSA-N 0 3 260.381 3.289 20 30 CGEDHN N#CCCCOc1cccc(CNCC2(CC#N)CC2)c1 ZINC000430046656 330558143 /nfs/dbraw/zinc/55/81/43/330558143.db2.gz OPMVUSDIIUUKNW-UHFFFAOYSA-N 0 3 283.375 3.153 20 30 CGEDHN COc1cc(CNCC2(CC#N)CC2)ccc1SC ZINC000430063218 330558375 /nfs/dbraw/zinc/55/83/75/330558375.db2.gz XZAWGAYMXUFYAF-UHFFFAOYSA-N 0 3 276.405 3.201 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1coc(-c2ccccc2)n1 ZINC000435743819 330661816 /nfs/dbraw/zinc/66/18/16/330661816.db2.gz UMYNTBATSIZBII-NVXWUHKLSA-N 0 3 298.386 3.412 20 30 CGEDHN C=C(C)CC[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000449473588 330928673 /nfs/dbraw/zinc/92/86/73/330928673.db2.gz HWTMBDJWBHUCDA-UHFFFAOYSA-N 0 3 259.271 3.467 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)c(C)c1 ZINC000449518709 330933226 /nfs/dbraw/zinc/93/32/26/330933226.db2.gz KNJAFBFTSYTJGI-KGLIPLIRSA-N 0 3 251.757 3.082 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCC2)C1(CC)CC ZINC000450759803 330998567 /nfs/dbraw/zinc/99/85/67/330998567.db2.gz PPBYGWFEXDVOBE-UONOGXRCSA-N 0 3 264.413 3.254 20 30 CGEDHN N#CCCCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300058 331023708 /nfs/dbraw/zinc/02/37/08/331023708.db2.gz AKXNLSUGOWQEBP-ZDUSSCGKSA-N 0 3 286.297 3.022 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000453340325 331119110 /nfs/dbraw/zinc/11/91/10/331119110.db2.gz CFHZGQLODUEUMC-JTQLQIEISA-N 0 3 253.367 3.152 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1sc(CC)nc1C ZINC000453347099 331120052 /nfs/dbraw/zinc/12/00/52/331120052.db2.gz HKWGZVJYCLLNMA-JLLWLGSASA-N 0 3 266.410 3.008 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(Cl)ccc1OC ZINC000453356748 331121619 /nfs/dbraw/zinc/12/16/19/331121619.db2.gz MLFKUEFKEBEWPO-HONMWMINSA-N 0 3 281.783 3.343 20 30 CGEDHN C=C(CC)CN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000453369665 331123904 /nfs/dbraw/zinc/12/39/04/331123904.db2.gz RAHQURFPYKDYOM-KRWDZBQOSA-N 0 3 267.376 3.316 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000453375591 331124756 /nfs/dbraw/zinc/12/47/56/331124756.db2.gz XFZVOTRBXMVVON-PMPSAXMXSA-N 0 3 285.387 3.366 20 30 CGEDHN C=CCCOCCNCc1ccc(C)c(Cl)c1 ZINC000195448688 331173597 /nfs/dbraw/zinc/17/35/97/331173597.db2.gz KWNWUGQVJTVPKO-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN C[C@@H](CCCc1cccnc1)NCC#Cc1ccccc1 ZINC000459633359 331291348 /nfs/dbraw/zinc/29/13/48/331291348.db2.gz GIAIAWYVMUBVDQ-KRWDZBQOSA-N 0 3 278.399 3.434 20 30 CGEDHN CC(=O)Nc1cccc([C@@H](C)NCC(C)(C)CC#N)c1 ZINC000459684328 331294385 /nfs/dbraw/zinc/29/43/85/331294385.db2.gz CCAIINIJJOHMHX-GFCCVEGCSA-N 0 3 273.380 3.235 20 30 CGEDHN CC(C)(CC#N)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000459705310 331295200 /nfs/dbraw/zinc/29/52/00/331295200.db2.gz YEIDMVUJYFUALZ-FNORWQNLSA-N 0 3 273.336 3.137 20 30 CGEDHN C=CCCCCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000489035403 332038733 /nfs/dbraw/zinc/03/87/33/332038733.db2.gz DBJFUVNETMIKMM-STQMWFEESA-N 0 3 279.346 3.368 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(C)cc1C ZINC000489450395 332053567 /nfs/dbraw/zinc/05/35/67/332053567.db2.gz QCOPFTNSYOCYMR-IAGOWNOFSA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000489496844 332056734 /nfs/dbraw/zinc/05/67/34/332056734.db2.gz MDCNMZTTYPUKGD-ZDUSSCGKSA-N 0 3 276.336 3.014 20 30 CGEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000491554754 332236924 /nfs/dbraw/zinc/23/69/24/332236924.db2.gz LUYIYFPSBLIKKT-UKRRQHHQSA-N 0 3 272.392 3.022 20 30 CGEDHN CC#CCCNCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000499208477 332582519 /nfs/dbraw/zinc/58/25/19/332582519.db2.gz BWRDMYAODKWOEW-UHFFFAOYSA-N 0 3 295.430 3.360 20 30 CGEDHN C[C@H]1CSC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000512204514 332957771 /nfs/dbraw/zinc/95/77/71/332957771.db2.gz URRKYUZUOFUPAV-SMDDNHRTSA-N 0 3 265.809 3.033 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[C@H](C)CC)CC1 ZINC000176499859 333042541 /nfs/dbraw/zinc/04/25/41/333042541.db2.gz SJEINKPSQOYNAX-CABCVRRESA-N 0 3 295.471 3.151 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCCNC(=O)OC(C)(C)C ZINC000309950177 333051791 /nfs/dbraw/zinc/05/17/91/333051791.db2.gz FRCOQDWMNDKYAO-LLVKDONJSA-N 0 3 276.808 3.022 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000517491023 333100603 /nfs/dbraw/zinc/10/06/03/333100603.db2.gz JZJWHNGXQJTCPW-SWHYSGLUSA-N 0 3 298.308 3.021 20 30 CGEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCCCC1 ZINC000156220369 333124516 /nfs/dbraw/zinc/12/45/16/333124516.db2.gz MBMAVIUIDLYVOK-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000185245305 333137528 /nfs/dbraw/zinc/13/75/28/333137528.db2.gz GDYRHIGBTYLBOA-OAHLLOKOSA-N 0 3 280.456 3.169 20 30 CGEDHN COc1cc(Br)ccc1[C@@H](C)NCCCC#N ZINC000190420171 333206609 /nfs/dbraw/zinc/20/66/09/333206609.db2.gz DWZOKRNOLOYCTG-SNVBAGLBSA-N 0 3 297.196 3.412 20 30 CGEDHN C=CCCOCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000194127465 333266144 /nfs/dbraw/zinc/26/61/44/333266144.db2.gz PPBZCFAAHHJPFQ-OAHLLOKOSA-N 0 3 283.799 3.210 20 30 CGEDHN Cc1cccc(-c2ccc(CNC(=O)C(C)C#N)cc2)c1 ZINC000523415047 333325965 /nfs/dbraw/zinc/32/59/65/333325965.db2.gz FFUCBNKHRHYDIM-AWEZNQCLSA-N 0 3 278.355 3.438 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000523760334 333344348 /nfs/dbraw/zinc/34/43/48/333344348.db2.gz QDLNEQVRXDFMHL-AEFFLSMTSA-N 0 3 298.430 3.065 20 30 CGEDHN CCOc1ccccc1CNCCOc1ccc(C#N)cc1 ZINC000174560028 335158982 /nfs/dbraw/zinc/15/89/82/335158982.db2.gz OJRDEMBSXNFACO-UHFFFAOYSA-N 0 3 296.370 3.126 20 30 CGEDHN N#Cc1ccc(OCCNCc2ccc(F)c(F)c2)cc1 ZINC000174560799 335158991 /nfs/dbraw/zinc/15/89/91/335158991.db2.gz MGGVNAWMJXXMAR-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN C[C@H](CNCc1cccc(C#N)c1)Oc1cccc(F)c1 ZINC000174581458 335159561 /nfs/dbraw/zinc/15/95/61/335159561.db2.gz YJXLZSVHOMQOIE-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN CC[C@H](CC#N)NCCCOc1cc(C)ccc1C ZINC000576356288 335193690 /nfs/dbraw/zinc/19/36/90/335193690.db2.gz AIKITBIXCXROIR-OAHLLOKOSA-N 0 3 260.381 3.354 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(F)cc1F ZINC000576182723 335166226 /nfs/dbraw/zinc/16/62/26/335166226.db2.gz GRVRJLISNWDXKI-SWLSCSKDSA-N 0 3 267.319 3.036 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000545241138 333972515 /nfs/dbraw/zinc/97/25/15/333972515.db2.gz RSQSBBXWSSUJAV-WDEREUQCSA-N 0 3 270.298 3.386 20 30 CGEDHN COc1ccc(CN(CCCSCC#N)C2CC2)cc1 ZINC000074980708 334021536 /nfs/dbraw/zinc/02/15/36/334021536.db2.gz YXMQANHMBYPSEE-UHFFFAOYSA-N 0 3 290.432 3.306 20 30 CGEDHN C=CCOc1cccc(CNCCNc2cccc(C)n2)c1 ZINC000133519017 334043616 /nfs/dbraw/zinc/04/36/16/334043616.db2.gz NIMIVXBRKXDECP-UHFFFAOYSA-N 0 3 297.402 3.157 20 30 CGEDHN CCC[C@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000549482956 334195094 /nfs/dbraw/zinc/19/50/94/334195094.db2.gz WZPMEIUPFLXJEM-QGZVFWFLSA-N 0 3 299.418 3.095 20 30 CGEDHN CC#CCNC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550028702 334211818 /nfs/dbraw/zinc/21/18/18/334211818.db2.gz JADCKCRFRPGMCJ-UHFFFAOYSA-N 0 3 295.785 3.184 20 30 CGEDHN C=CCCN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000084681255 334276721 /nfs/dbraw/zinc/27/67/21/334276721.db2.gz ZVVFTQVJOAYGQH-UHFFFAOYSA-N 0 3 264.457 3.395 20 30 CGEDHN CCN(C[C@H](C)Cc1ccc(OC)c(F)c1)C[C@H](C)C#N ZINC000249024587 334325010 /nfs/dbraw/zinc/32/50/10/334325010.db2.gz RGDOQFVUZFBWCJ-ZIAGYGMSSA-N 0 3 292.398 3.494 20 30 CGEDHN CCOC[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180686 334358301 /nfs/dbraw/zinc/35/83/01/334358301.db2.gz JFFPATRQVABJAU-LBPRGKRZSA-N 0 3 285.309 3.072 20 30 CGEDHN N#C[C@@H](c1ccccc1)N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000156482590 334743046 /nfs/dbraw/zinc/74/30/46/334743046.db2.gz PSSIHGWDGKIENO-HKUYNNGSSA-N 0 3 295.430 3.225 20 30 CGEDHN CCc1ncc(CN2CCC(CCC#N)CC2)s1 ZINC000567906259 334774104 /nfs/dbraw/zinc/77/41/04/334774104.db2.gz UFUIXXBHXVMBQU-UHFFFAOYSA-N 0 3 263.410 3.221 20 30 CGEDHN COc1ccccc1[C@H](CO)NCCCCC(C)(C)C#N ZINC000576932366 335265334 /nfs/dbraw/zinc/26/53/34/335265334.db2.gz NAYFXTYJEUSDOS-HNNXBMFYSA-N 0 3 290.407 3.038 20 30 CGEDHN N#Cc1ccc(CN(CC2CCCCC2)C2CC2)nc1 ZINC000577167377 335313377 /nfs/dbraw/zinc/31/33/77/335313377.db2.gz CVRCSHNGSMMMKO-UHFFFAOYSA-N 0 3 269.392 3.498 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCC1 ZINC000577283225 335335356 /nfs/dbraw/zinc/33/53/56/335335356.db2.gz PMNLJWVJLLNMRE-UHFFFAOYSA-N 0 3 287.363 3.477 20 30 CGEDHN Cc1ccc(OCCCNCc2cc(C#N)cs2)cc1 ZINC000177693830 335379367 /nfs/dbraw/zinc/37/93/67/335379367.db2.gz CGVQUNAWURJJDH-UHFFFAOYSA-N 0 3 286.400 3.487 20 30 CGEDHN C[C@H](CNCc1cc(C#N)cs1)Oc1ccc(F)cc1 ZINC000177707330 335380449 /nfs/dbraw/zinc/38/04/49/335380449.db2.gz XSGOUODNROWWSK-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)cs1)Oc1ccccc1F ZINC000177707282 335380537 /nfs/dbraw/zinc/38/05/37/335380537.db2.gz DARYOGCJGAFXQD-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](CC)OC)cc1Cl ZINC000577989916 335449594 /nfs/dbraw/zinc/44/95/94/335449594.db2.gz YSCSFDYSNPVNDR-ZDUSSCGKSA-N 0 3 283.799 3.419 20 30 CGEDHN CCO[C@@H]1C[C@@H]1N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000580868420 335976774 /nfs/dbraw/zinc/97/67/74/335976774.db2.gz XOBMNLMUOWJLTR-YESZJQIVSA-N 0 3 270.376 3.093 20 30 CGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000581195533 336023112 /nfs/dbraw/zinc/02/31/12/336023112.db2.gz OFRBYJSYYCHASA-UHFFFAOYSA-N 0 3 273.336 3.231 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2CCCCC2(F)F)c1 ZINC000381529178 336067681 /nfs/dbraw/zinc/06/76/81/336067681.db2.gz ABTAHPSWCSXQND-AWEZNQCLSA-N 0 3 264.319 3.473 20 30 CGEDHN Cc1cc(CN2CCC(CCC#N)CC2)ccc1C#N ZINC000581486270 336087505 /nfs/dbraw/zinc/08/75/05/336087505.db2.gz CUWKDOVEAOMGQT-UHFFFAOYSA-N 0 3 267.376 3.382 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000347441807 534283397 /nfs/dbraw/zinc/28/33/97/534283397.db2.gz CAAOEIMZDQMJLQ-MXWKQRLJSA-N 0 3 298.308 3.473 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000347056339 534284165 /nfs/dbraw/zinc/28/41/65/534284165.db2.gz BKORHKQMYTVLLP-RKDXNWHRSA-N 0 3 270.254 3.042 20 30 CGEDHN Cn1cc(CNCCCC#N)c(-c2ccccc2Cl)n1 ZINC000344367189 534733935 /nfs/dbraw/zinc/73/39/35/534733935.db2.gz USWYLKBKAHPRMV-UHFFFAOYSA-N 0 3 288.782 3.134 20 30 CGEDHN C=C(C)CCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000351992235 526443382 /nfs/dbraw/zinc/44/33/82/526443382.db2.gz BMDIIHNDYMJWEW-UHFFFAOYSA-N 0 3 261.369 3.093 20 30 CGEDHN C=CCOCCCN(C)Cc1ccc(Br)cc1 ZINC000347961690 526748283 /nfs/dbraw/zinc/74/82/83/526748283.db2.gz ARWWNHBURFSXOH-UHFFFAOYSA-N 0 3 298.224 3.474 20 30 CGEDHN C=CCOCCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000347966347 526748982 /nfs/dbraw/zinc/74/89/82/526748982.db2.gz FPJDWBRJBRTZRX-GOSISDBHSA-N 0 3 289.419 3.260 20 30 CGEDHN C=CCOCCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000347966348 526749583 /nfs/dbraw/zinc/74/95/83/526749583.db2.gz FPJDWBRJBRTZRX-SFHVURJKSA-N 0 3 289.419 3.260 20 30 CGEDHN C=C1CCN(Cc2ccccc2-c2ccnn2C)CC1 ZINC000351455029 526905415 /nfs/dbraw/zinc/90/54/15/526905415.db2.gz SUYIKNJHVWWFJS-UHFFFAOYSA-N 0 3 267.376 3.239 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@H]1CCCN1CCC ZINC000352276082 527126061 /nfs/dbraw/zinc/12/60/61/527126061.db2.gz RRTVATVVMLVNOU-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCC[C@@H](NCCCO[C@@H]1CCOC1)c1ccco1 ZINC000356096141 527446729 /nfs/dbraw/zinc/44/67/29/527446729.db2.gz RRZVTVILEFNESL-HUUCEWRRSA-N 0 3 279.380 3.072 20 30 CGEDHN CC(C)(C#N)CCN[C@@H]1CCCc2c(O)cccc21 ZINC000347189956 527468287 /nfs/dbraw/zinc/46/82/87/527468287.db2.gz GNLANDIKAAZASH-CQSZACIVSA-N 0 3 258.365 3.299 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352192432 527625018 /nfs/dbraw/zinc/62/50/18/527625018.db2.gz VGDHXZGGOLFBPB-OAHLLOKOSA-N 0 3 290.451 3.088 20 30 CGEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000344320150 529102052 /nfs/dbraw/zinc/10/20/52/529102052.db2.gz KVRNQOLEXQKUKE-GWCFXTLKSA-N 0 3 264.756 3.313 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000452036656 535744447 /nfs/dbraw/zinc/74/44/47/535744447.db2.gz ROGUYHVXRIXWTO-HZPDHXFCSA-N 0 3 276.355 3.135 20 30 CGEDHN CCc1ccccc1CNCc1cnc2ccc(C#N)cn12 ZINC000123613181 535939624 /nfs/dbraw/zinc/93/96/24/535939624.db2.gz WDUPXAAFCJLRSX-UHFFFAOYSA-N 0 3 290.370 3.058 20 30 CGEDHN C=CCOC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000727039788 571704514 /nfs/dbraw/zinc/70/45/14/571704514.db2.gz LSVBAXASVGIKSZ-UHFFFAOYSA-N 0 3 259.349 3.015 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000728712079 571817063 /nfs/dbraw/zinc/81/70/63/571817063.db2.gz YDARZJYXIISHOY-CQSZACIVSA-N 0 3 291.354 3.139 20 30 CGEDHN CCCCCCCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000740877327 571890684 /nfs/dbraw/zinc/89/06/84/571890684.db2.gz AZRVNIDLSUITDM-RYUDHWBXSA-N 0 3 267.335 3.344 20 30 CGEDHN CC[C@@H](C)CN(C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000732182282 572450693 /nfs/dbraw/zinc/45/06/93/572450693.db2.gz GAHRYNQKGGXGPH-CQSZACIVSA-N 0 3 282.391 3.357 20 30 CGEDHN C=CCCCOC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000741325186 572492908 /nfs/dbraw/zinc/49/29/08/572492908.db2.gz HAWSIDDFIVODDZ-KRWDZBQOSA-N 0 3 287.403 3.408 20 30 CGEDHN C#CCOc1ccccc1CN[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000742375866 572570381 /nfs/dbraw/zinc/57/03/81/572570381.db2.gz WYDZHNASRMVFAN-RBUKOAKNSA-N 0 3 291.394 3.419 20 30 CGEDHN C#CCCCNc1ccnc2cc(OCC)c(OCC)cc21 ZINC000742422928 572580360 /nfs/dbraw/zinc/58/03/60/572580360.db2.gz BHFKRWNMBAMOBG-UHFFFAOYSA-N 0 3 298.386 3.279 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)CCC1N=Nc1ccccn1 ZINC000734363543 572649061 /nfs/dbraw/zinc/64/90/61/572649061.db2.gz LMSQVLSDRTXUSM-OAHLLOKOSA-N 0 3 294.402 3.392 20 30 CGEDHN CC(C)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000743851974 572689536 /nfs/dbraw/zinc/68/95/36/572689536.db2.gz UBQKVEJOLSLMLP-UHFFFAOYSA-N 0 3 272.392 3.457 20 30 CGEDHN CCCCCCN(C)CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000735658414 572737604 /nfs/dbraw/zinc/73/76/04/572737604.db2.gz ATCAOSOCNNOEKB-WBVHZDCISA-N 0 3 293.455 3.087 20 30 CGEDHN C#CCN(CC)[C@@H](C)c1cccc(Br)c1 ZINC000746145200 572857143 /nfs/dbraw/zinc/85/71/43/572857143.db2.gz RIUBAXODXDPVIH-NSHDSACASA-N 0 3 266.182 3.465 20 30 CGEDHN CCCCCCN(C)CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000748721121 572982853 /nfs/dbraw/zinc/98/28/53/572982853.db2.gz KDURKKQHEGCETR-INIZCTEOSA-N 0 3 293.455 3.087 20 30 CGEDHN C=CCC[C@H](CC)[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823894229 609249758 /nfs/dbraw/zinc/24/97/58/609249758.db2.gz LCYZXVDVOOUQRB-HNNXBMFYSA-N 0 3 297.406 3.190 20 30 CGEDHN C=CCC[C@H](CC)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823894229 609249760 /nfs/dbraw/zinc/24/97/60/609249760.db2.gz LCYZXVDVOOUQRB-HNNXBMFYSA-N 0 3 297.406 3.190 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC000949631609 613241181 /nfs/dbraw/zinc/24/11/81/613241181.db2.gz JOBAMOBEMUDVRX-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC000970947549 613302194 /nfs/dbraw/zinc/30/21/94/613302194.db2.gz MABFACASLQGNFW-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190795 613323744 /nfs/dbraw/zinc/32/37/44/613323744.db2.gz MHRMSKYOYYRZPA-WBVHZDCISA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974914099 613337964 /nfs/dbraw/zinc/33/79/64/613337964.db2.gz FWOAUXFHYQZTQQ-JKSUJKDBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975027050 613338091 /nfs/dbraw/zinc/33/80/91/613338091.db2.gz NOQIZAWNLWFYRI-LSDHHAIUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974618151 613338326 /nfs/dbraw/zinc/33/83/26/613338326.db2.gz CVILOGYDJXVLKY-CRAIPNDOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC000981451410 613496734 /nfs/dbraw/zinc/49/67/34/613496734.db2.gz SDTCIAYQFNUFDS-SJLPKXTDSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)c3c(C)cccc3C)C2)C1 ZINC000982034452 613681624 /nfs/dbraw/zinc/68/16/24/613681624.db2.gz YPJSCROPQKOJIG-UHFFFAOYSA-N 0 3 298.430 3.027 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000940709643 613741195 /nfs/dbraw/zinc/74/11/95/613741195.db2.gz JJHFSQXFJLUVEY-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CC[C@@H]1CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000890550414 617635628 /nfs/dbraw/zinc/63/56/28/617635628.db2.gz WVQFBODQPJGWEK-OAHLLOKOSA-N 0 3 283.375 3.081 20 30 CGEDHN C=C(Br)CN[C@H]1CCC[C@H]1SCC ZINC000233984309 617660889 /nfs/dbraw/zinc/66/08/89/617660889.db2.gz RQQYGKRVKDKQCX-VHSXEESVSA-N 0 3 264.232 3.159 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC001020853607 617801595 /nfs/dbraw/zinc/80/15/95/617801595.db2.gz SQSMUTLFKHGWFU-IXYNUQLISA-N 0 3 298.858 3.048 20 30 CGEDHN CCC#C[C@H](C)N1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933074200 618137883 /nfs/dbraw/zinc/13/78/83/618137883.db2.gz YJQIKKUUPPVTKI-RDJZCZTQSA-N 0 3 299.414 3.139 20 30 CGEDHN CCCCCON=Cc1ccc(N2CCOCC2)cc1 ZINC000255278697 618155798 /nfs/dbraw/zinc/15/57/98/618155798.db2.gz OKIRJJIYUFMZJR-UHFFFAOYSA-N 0 3 276.380 3.064 20 30 CGEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)cc2C)CCC1 ZINC000933298025 618194063 /nfs/dbraw/zinc/19/40/63/618194063.db2.gz AZDCPDNCDLNAIM-UHFFFAOYSA-N 0 3 290.794 3.123 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@]2(C)CCC[C@H]2CC)C1 ZINC001022285661 618252671 /nfs/dbraw/zinc/25/26/71/618252671.db2.gz JWFCHKPRUBVQJY-HGTKMLMNSA-N 0 3 298.858 3.192 20 30 CGEDHN CO[C@@H]1CC[C@@H]1N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000934110282 618471104 /nfs/dbraw/zinc/47/11/04/618471104.db2.gz XUBVWHJAMUIHQW-UONOGXRCSA-N 0 3 298.308 3.186 20 30 CGEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2)CC1 ZINC000892494477 618811337 /nfs/dbraw/zinc/81/13/37/618811337.db2.gz FFLOOZNDSGMHOU-HNNXBMFYSA-N 0 3 282.343 3.080 20 30 CGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCF)cc1 ZINC000892501478 618816366 /nfs/dbraw/zinc/81/63/66/618816366.db2.gz OYEVRNZPCJVRCY-FZMZJTMJSA-N 0 3 290.338 3.207 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@]2(C)CCC[C@@H]2CC)C1 ZINC001020295042 618978779 /nfs/dbraw/zinc/97/87/79/618978779.db2.gz JWFCHKPRUBVQJY-RZLSGREXSA-N 0 3 298.858 3.192 20 30 CGEDHN C#CCN(C)[C@@H](C)c1ccc(Br)cc1 ZINC000194971569 619144829 /nfs/dbraw/zinc/14/48/29/619144829.db2.gz ARTICCVQSMSFKC-JTQLQIEISA-N 0 3 252.155 3.075 20 30 CGEDHN N#CC1(CCCCN2CCO[C@@H](C(F)F)CC2)CCC1 ZINC000931478016 619182222 /nfs/dbraw/zinc/18/22/22/619182222.db2.gz UZLFQRJOTRBMOS-CYBMUJFWSA-N 0 3 286.366 3.207 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000931753042 619248778 /nfs/dbraw/zinc/24/87/78/619248778.db2.gz PEHSVLPWLQHTIM-GOEBONIOSA-N 0 3 290.794 3.213 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931920639 619275332 /nfs/dbraw/zinc/27/53/32/619275332.db2.gz ZTHJVNGKJDWBCO-QWRGUYRKSA-N 0 3 263.278 3.155 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2csc(C#N)c2)CC1 ZINC000894170244 619403497 /nfs/dbraw/zinc/40/34/97/619403497.db2.gz AVUJOHOWCWOXME-CQSZACIVSA-N 0 3 264.394 3.011 20 30 CGEDHN CSC[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000894598696 619587035 /nfs/dbraw/zinc/58/70/35/619587035.db2.gz GRGMZYMKKAAXSB-NSHDSACASA-N 0 3 266.435 3.195 20 30 CGEDHN CCn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000894964637 619687953 /nfs/dbraw/zinc/68/79/53/619687953.db2.gz TZNNCYMHMNQJMC-SFHVURJKSA-N 0 3 294.402 3.250 20 30 CGEDHN C=C(Br)CN[C@H]1CCc2c(cccc2OC)C1 ZINC000192441884 619724243 /nfs/dbraw/zinc/72/42/43/619724243.db2.gz SRZSSJUAJJALNI-LBPRGKRZSA-N 0 3 296.208 3.051 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnc3onc(C)c3c2)C1 ZINC000895250992 619790676 /nfs/dbraw/zinc/79/06/76/619790676.db2.gz RGKUDGKHEVTJCI-CYBMUJFWSA-N 0 3 271.364 3.319 20 30 CGEDHN Cc1cc(F)ncc1CNC(C)(C)c1cccc(C#N)c1 ZINC000895328010 619805817 /nfs/dbraw/zinc/80/58/17/619805817.db2.gz JLMYZJUNXFWGLR-UHFFFAOYSA-N 0 3 283.350 3.426 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(OCCOC)o2)C1 ZINC000895338930 619807381 /nfs/dbraw/zinc/80/73/81/619807381.db2.gz WBMZFBALOYNKNN-AWEZNQCLSA-N 0 3 279.380 3.093 20 30 CGEDHN C#CCC1(O)CCN(Cc2c(Cl)cccc2CC)CC1 ZINC000895670957 619869386 /nfs/dbraw/zinc/86/93/86/619869386.db2.gz YNMQVQIEIIWWOU-UHFFFAOYSA-N 0 3 291.822 3.253 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1Cc2cccc(O)c2C1 ZINC000895784546 619885358 /nfs/dbraw/zinc/88/53/58/619885358.db2.gz IUYZUQNFHIWUPA-UHFFFAOYSA-N 0 3 278.355 3.397 20 30 CGEDHN C#Cc1ccc(CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000896195852 619964416 /nfs/dbraw/zinc/96/44/16/619964416.db2.gz UUVRPOWMEOTEQB-UHFFFAOYSA-N 0 3 291.398 3.139 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC[C@]23C[C@H]2CCCC3)c1 ZINC000896267746 619983837 /nfs/dbraw/zinc/98/38/37/619983837.db2.gz KGUQCSNMINTQNG-HIFRSBDPSA-N 0 3 275.783 3.277 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCC2CC=CC2)c1 ZINC000896864194 620078957 /nfs/dbraw/zinc/07/89/57/620078957.db2.gz AFCZKQAFCNLLTQ-UHFFFAOYSA-N 0 3 261.756 3.053 20 30 CGEDHN CCOc1cc(CNCc2ccc(C)c(C#N)c2)ccc1O ZINC000896880685 620083137 /nfs/dbraw/zinc/08/31/37/620083137.db2.gz KXOQYZQSLCMOBC-UHFFFAOYSA-N 0 3 296.370 3.261 20 30 CGEDHN Cc1cccc(O)c1CN(C)Cc1cc(C#N)cs1 ZINC000897624246 620411494 /nfs/dbraw/zinc/41/14/94/620411494.db2.gz DMOXXHUXPJZBAF-UHFFFAOYSA-N 0 3 272.373 3.266 20 30 CGEDHN CCC[C@@H](NCc1nc(C#N)cs1)[C@H]1CC1(C)C ZINC000897625355 620412542 /nfs/dbraw/zinc/41/25/42/620412542.db2.gz BACXXNVESWCABP-VXGBXAGGSA-N 0 3 263.410 3.319 20 30 CGEDHN CC1=CCC[C@@H](C)[C@H]1CNCc1nc(C#N)cs1 ZINC000897628779 620413515 /nfs/dbraw/zinc/41/35/15/620413515.db2.gz LRRBBVPWOYBBSM-YPMHNXCESA-N 0 3 261.394 3.097 20 30 CGEDHN CC[C@H](NCc1ccnc(OC)c1)c1cccc(C#N)c1 ZINC000902740158 621420610 /nfs/dbraw/zinc/42/06/10/621420610.db2.gz OMIHQRCRCMRTEY-INIZCTEOSA-N 0 3 281.359 3.203 20 30 CGEDHN CC[C@@H](NCc1c(C)nn(C)c1C)c1cccc(C#N)c1 ZINC000902783150 621438908 /nfs/dbraw/zinc/43/89/08/621438908.db2.gz AFCKNIZNFHFFGV-QGZVFWFLSA-N 0 3 282.391 3.150 20 30 CGEDHN Cc1cnc([C@H](C)CN[C@@H](C)c2cc(C#N)ccn2)s1 ZINC000902950841 621503639 /nfs/dbraw/zinc/50/36/39/621503639.db2.gz KBYVLYWZAQRREJ-PWSUYJOCSA-N 0 3 286.404 3.173 20 30 CGEDHN Cc1ccc([C@H](O)[C@@H](C)N[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902986496 621512683 /nfs/dbraw/zinc/51/26/83/621512683.db2.gz BNZRIYNLCWVTKV-PMUMKWKESA-N 0 3 295.386 3.034 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCn2ccnc21)[C@]1(C)CCCCO1 ZINC000903002392 621526539 /nfs/dbraw/zinc/52/65/39/621526539.db2.gz BAFHEOUPMMGFBW-VYDXJSESSA-N 0 3 289.423 3.212 20 30 CGEDHN COC[C@H](CC(C)(C)C)N[C@H](C)c1cc(C#N)ccn1 ZINC000903043640 621541755 /nfs/dbraw/zinc/54/17/55/621541755.db2.gz DWNCRSPJIGRJAV-OCCSQVGLSA-N 0 3 275.396 3.055 20 30 CGEDHN C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1cc(C#N)ccn1 ZINC000903043996 621553666 /nfs/dbraw/zinc/55/36/66/621553666.db2.gz IRKLFHYALINVRS-UKRRQHHQSA-N 0 3 285.391 3.096 20 30 CGEDHN C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1cc(C#N)ccn1 ZINC000903043997 621554138 /nfs/dbraw/zinc/55/41/38/621554138.db2.gz IRKLFHYALINVRS-ZFWWWQNUSA-N 0 3 285.391 3.096 20 30 CGEDHN Cc1ccc([C@H](C)NCC2(C#N)CCCC2)c(O)c1 ZINC000903109509 621583193 /nfs/dbraw/zinc/58/31/93/621583193.db2.gz QJRNAHOPMYXMDI-ZDUSSCGKSA-N 0 3 258.365 3.435 20 30 CGEDHN C=CCC[C@H](CC)NCc1nc(CN(C)C)cs1 ZINC000903225313 621628877 /nfs/dbraw/zinc/62/88/77/621628877.db2.gz FKGVMDIEEUKXGA-LBPRGKRZSA-N 0 3 267.442 3.039 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000903295593 621663596 /nfs/dbraw/zinc/66/35/96/621663596.db2.gz WDYWBQHOFXRVPL-HIFRSBDPSA-N 0 3 298.386 3.119 20 30 CGEDHN CC1/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)c2ncnn21 ZINC000905079916 622032568 /nfs/dbraw/zinc/03/25/68/622032568.db2.gz HCODOSNFHLFAKK-ZECSTPGPSA-N 0 3 281.359 3.417 20 30 CGEDHN CC(C)Cc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905082815 622033149 /nfs/dbraw/zinc/03/31/49/622033149.db2.gz XFRUIKPHQJVDFB-KMHUVPDISA-N 0 3 281.359 3.318 20 30 CGEDHN N#Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1Cl ZINC000906165009 622163360 /nfs/dbraw/zinc/16/33/60/622163360.db2.gz PCGXDJCTPIXZCH-AWEZNQCLSA-N 0 3 284.750 3.093 20 30 CGEDHN C=CCC1(O)CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906594941 622256663 /nfs/dbraw/zinc/25/66/63/622256663.db2.gz FTIILMJZBBJLIK-JKSUJKDBSA-N 0 3 275.367 3.085 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](N)C[C@H](C)CC ZINC000912080883 622597811 /nfs/dbraw/zinc/59/78/11/622597811.db2.gz BDVXPIDNOKIYIN-TZMCWYRMSA-N 0 3 280.437 3.026 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000912171085 622616427 /nfs/dbraw/zinc/61/64/27/622616427.db2.gz LWYWMAIIDQTXEY-DLBZAZTESA-N 0 3 286.419 3.246 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)ccc1Cl ZINC000912237580 622619493 /nfs/dbraw/zinc/61/94/93/622619493.db2.gz KWQVLYSHYKAMKP-LBPRGKRZSA-N 0 3 266.772 3.271 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(OCCC)c1 ZINC000912331584 622632915 /nfs/dbraw/zinc/63/29/15/622632915.db2.gz MHVFGSCLMCIIKE-OAHLLOKOSA-N 0 3 276.380 3.098 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000912368423 622644557 /nfs/dbraw/zinc/64/45/57/622644557.db2.gz PORRBAVIEWLMDW-FZMZJTMJSA-N 0 3 280.437 3.226 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000157208103 622885768 /nfs/dbraw/zinc/88/57/68/622885768.db2.gz FVKXXPTXBRWZLI-ZDUSSCGKSA-N 0 3 261.365 3.158 20 30 CGEDHN CCCCCCC[C@@H](C)N[C@H](C)c1nncn1C ZINC000059446007 623007616 /nfs/dbraw/zinc/00/76/16/623007616.db2.gz JEVMBQWOEYDINQ-CHWSQXEVSA-N 0 3 252.406 3.215 20 30 CGEDHN CSCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000172349366 623245137 /nfs/dbraw/zinc/24/51/37/623245137.db2.gz GEDNBPXKSWUTAV-SNVBAGLBSA-N 0 3 274.345 3.147 20 30 CGEDHN CC(C)(C)OC(=O)[C@@H]1CCCN1CC1CCC(C#N)CC1 ZINC000929790076 623647133 /nfs/dbraw/zinc/64/71/33/623647133.db2.gz HVGPIDJPYGNBSW-NRXISQOPSA-N 0 3 292.423 3.122 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992982098 623770644 /nfs/dbraw/zinc/77/06/44/623770644.db2.gz MGJUFYUWDLNBEX-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C#CCOc1ccccc1CNCCOc1ccc(F)cc1 ZINC000914582242 623833793 /nfs/dbraw/zinc/83/37/93/623833793.db2.gz IPVSGEUMZULJMX-UHFFFAOYSA-N 0 3 299.345 3.006 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2CCCN(CC(=C)C)[C@@H]2C)cc1 ZINC000993830334 624064453 /nfs/dbraw/zinc/06/44/53/624064453.db2.gz XRDLNPHHYMFQGW-QAPCUYQASA-N 0 3 298.430 3.488 20 30 CGEDHN CC(=NNCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000916344282 624148597 /nfs/dbraw/zinc/14/85/97/624148597.db2.gz QBILZXHYILWXRP-UHFFFAOYSA-N 0 3 267.376 3.266 20 30 CGEDHN C#CCN(CCC(=O)c1ccccc1)C1CCCC1 ZINC000182454113 625002857 /nfs/dbraw/zinc/00/28/57/625002857.db2.gz CJHCKKVXOGWMTF-UHFFFAOYSA-N 0 3 255.361 3.137 20 30 CGEDHN C=CCCC[C@H](NC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC000921646735 625800896 /nfs/dbraw/zinc/80/08/96/625800896.db2.gz HZWGANYZHRNJTP-INIZCTEOSA-N 0 3 297.402 3.474 20 30 CGEDHN C[C@H](C[C@@H](O)c1cccs1)NCc1csc(C#N)c1 ZINC000921950931 625943178 /nfs/dbraw/zinc/94/31/78/625943178.db2.gz UHTLMQIXMQLZTR-ZWNOBZJWSA-N 0 3 292.429 3.283 20 30 CGEDHN N#Cc1cc(CN[C@H]2C[C@H](Oc3ccccc3)C2)cs1 ZINC000922245994 625989590 /nfs/dbraw/zinc/98/95/90/625989590.db2.gz BLSFLNTXPWPLSG-CTYIDZIISA-N 0 3 284.384 3.319 20 30 CGEDHN C=CCN1CCC(NC(=O)c2c(C)csc2Cl)CC1 ZINC001004058126 626002143 /nfs/dbraw/zinc/00/21/43/626002143.db2.gz FONBRWOBMSYZQR-UHFFFAOYSA-N 0 3 298.839 3.090 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC001005584304 626092948 /nfs/dbraw/zinc/09/29/48/626092948.db2.gz RYHQZKZLJKPDAQ-YJBOKZPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCC[C@@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000839041041 626308122 /nfs/dbraw/zinc/30/81/22/626308122.db2.gz SUQCBAAANBSBTR-MRXNPFEDSA-N 0 3 299.414 3.244 20 30 CGEDHN N#CC(C(=O)CCOCC1CC1)c1ccc2ccccc2n1 ZINC000751826750 626406311 /nfs/dbraw/zinc/40/63/11/626406311.db2.gz WSDSNWTVDGWOMR-HNNXBMFYSA-N 0 3 294.354 3.228 20 30 CGEDHN C#CCOCCN[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000753765973 626465321 /nfs/dbraw/zinc/46/53/21/626465321.db2.gz DVBIJSSMGXUFMS-ZDUSSCGKSA-N 0 3 287.359 3.050 20 30 CGEDHN C[C@@H]1CC(N=Nc2nccc3sccc32)CN1C1CC1 ZINC000753956768 626470177 /nfs/dbraw/zinc/47/01/77/626470177.db2.gz WJDYELDOIRWZBB-SNVBAGLBSA-N 0 3 286.404 3.321 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000754673769 626581714 /nfs/dbraw/zinc/58/17/14/626581714.db2.gz YVOCIRBITKGOCR-UONOGXRCSA-N 0 3 292.448 3.296 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@H]2CCN(c3ccccc3)C2)c1 ZINC000756119499 626678634 /nfs/dbraw/zinc/67/86/34/626678634.db2.gz IHLBKYIECWXMIN-INIZCTEOSA-N 0 3 295.361 3.066 20 30 CGEDHN COCC(C)(C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000756520240 626711897 /nfs/dbraw/zinc/71/18/97/626711897.db2.gz WLJOUHIMCXEOCY-JTQLQIEISA-N 0 3 288.372 3.145 20 30 CGEDHN C#CC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000756998005 626745786 /nfs/dbraw/zinc/74/57/86/626745786.db2.gz PZNBMWPKFVNXMM-GOSISDBHSA-N 0 3 260.340 3.412 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000839556121 626759809 /nfs/dbraw/zinc/75/98/09/626759809.db2.gz KGPMTUJJLWAYLB-GYSYKLTISA-N 0 3 251.757 3.282 20 30 CGEDHN C=C(Cl)CN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000839590278 626763811 /nfs/dbraw/zinc/76/38/11/626763811.db2.gz TYXJPFWAIPDOFP-SPWCGHHHSA-N 0 3 271.832 3.391 20 30 CGEDHN Cc1ccc(F)c(N=NC2CN(C3CC3)C[C@@H]2C)c1 ZINC000759664761 626912953 /nfs/dbraw/zinc/91/29/53/626912953.db2.gz MPCAFQSJUTZCSQ-NSHDSACASA-N 0 3 261.344 3.016 20 30 CGEDHN C#Cc1cccc(N(CC)C(=O)[C@@H](CC)N(CC)CC)c1 ZINC000764078595 627193761 /nfs/dbraw/zinc/19/37/61/627193761.db2.gz XSCDWDOUHYWLEU-QGZVFWFLSA-N 0 3 286.419 3.141 20 30 CGEDHN CON=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000767490037 627411475 /nfs/dbraw/zinc/41/14/75/627411475.db2.gz IVTOVZFRHHQBGS-UHFFFAOYSA-N 0 3 276.380 3.052 20 30 CGEDHN Cc1cc(CNCc2ccc(C(C)(C)O)cc2)ccc1C#N ZINC000767684674 627427976 /nfs/dbraw/zinc/42/79/76/627427976.db2.gz PSKRKWHIADCOLG-UHFFFAOYSA-N 0 3 294.398 3.384 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2cccc(OC)c2)cc1 ZINC000768162366 627464208 /nfs/dbraw/zinc/46/42/08/627464208.db2.gz CRHUGULHCODYFT-UHFFFAOYSA-N 0 3 295.382 3.339 20 30 CGEDHN C=CCN(Cc1cc(OC)cc2c1O[C@H](C)C2)C(C)C ZINC000768548103 627485800 /nfs/dbraw/zinc/48/58/00/627485800.db2.gz WSUNSSHQGBWPSU-CYBMUJFWSA-N 0 3 275.392 3.415 20 30 CGEDHN C#CCN(Cc1cnn(C(C)C)c1)C1CCCCC1 ZINC000769145668 627525906 /nfs/dbraw/zinc/52/59/06/627525906.db2.gz MPXOYTXGJJMQDA-UHFFFAOYSA-N 0 3 259.397 3.232 20 30 CGEDHN C#CCN(Cc1cnc(Cl)c(C)c1)C1CCCC1 ZINC000769529888 627562936 /nfs/dbraw/zinc/56/29/36/627562936.db2.gz HVRPARMEIYSDKH-UHFFFAOYSA-N 0 3 262.784 3.421 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(Cl)c2cccnc12 ZINC000769975683 627593833 /nfs/dbraw/zinc/59/38/33/627593833.db2.gz HBGNWYDBNMYRBD-NSHDSACASA-N 0 3 258.752 3.342 20 30 CGEDHN CCCCCCCCN1CCCC[C@H](S(C)(=O)=O)C1 ZINC000770003728 627597444 /nfs/dbraw/zinc/59/74/44/627597444.db2.gz ZRLMDPSRFXFWQN-HNNXBMFYSA-N 0 3 289.485 3.246 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2ccc(C)nc2C)cc1C#N ZINC000773082292 627852951 /nfs/dbraw/zinc/85/29/51/627852951.db2.gz HPRGJZBYDREQGS-ZDUSSCGKSA-N 0 3 295.386 3.430 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000775179877 628069429 /nfs/dbraw/zinc/06/94/29/628069429.db2.gz SXOMELHBPDBUGV-CYBMUJFWSA-N 0 3 257.377 3.244 20 30 CGEDHN N#CCC[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccccc1 ZINC000775554201 628106380 /nfs/dbraw/zinc/10/63/80/628106380.db2.gz VMTBFYJOTBCLNL-ZWKOTPCHSA-N 0 3 298.361 3.494 20 30 CGEDHN C#C[C@H](NCCSc1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000775793657 628137442 /nfs/dbraw/zinc/13/74/42/628137442.db2.gz WPFKJFVLIZRWKJ-DLBZAZTESA-N 0 3 289.444 3.166 20 30 CGEDHN C#C[C@H](NCCSc1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000775793659 628137637 /nfs/dbraw/zinc/13/76/37/628137637.db2.gz WPFKJFVLIZRWKJ-IRXDYDNUSA-N 0 3 289.444 3.166 20 30 CGEDHN CC(CN1CCCCCC1)=NOCCC(F)(F)F ZINC000777458472 628273196 /nfs/dbraw/zinc/27/31/96/628273196.db2.gz AUXTUFVZJXDIBC-UHFFFAOYSA-N 0 3 266.307 3.207 20 30 CGEDHN C=CC[C@@H](C(=O)OCCN1CCCCC1)c1ccccc1 ZINC000778415825 628349955 /nfs/dbraw/zinc/34/99/55/628349955.db2.gz AMABDALHDFXROO-QGZVFWFLSA-N 0 3 287.403 3.375 20 30 CGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(C#N)c(Cl)c1 ZINC000783880845 628755184 /nfs/dbraw/zinc/75/51/84/628755184.db2.gz PKJGXZFFJCCJGX-UHFFFAOYSA-N 0 3 299.765 3.119 20 30 CGEDHN C#Cc1ccc(CN[C@H]2CCc3c2cccc3O)cc1 ZINC000787771935 629028550 /nfs/dbraw/zinc/02/85/50/629028550.db2.gz GYJSZOWYKSLFGB-KRWDZBQOSA-N 0 3 263.340 3.151 20 30 CGEDHN C#CC[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)C(C)C ZINC000805891800 629138162 /nfs/dbraw/zinc/13/81/62/629138162.db2.gz YOUUANQVVCFISZ-GOSISDBHSA-N 0 3 299.414 3.487 20 30 CGEDHN CC[C@H](C)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000790182565 629189757 /nfs/dbraw/zinc/18/97/57/629189757.db2.gz DUKARZQEBUJHNB-DZGCQCFKSA-N 0 3 251.418 3.159 20 30 CGEDHN CCCCCCCNC(=O)c1cccc(CN(C)C)c1 ZINC000862358361 629350641 /nfs/dbraw/zinc/35/06/41/629350641.db2.gz DRBTXTSHAULXKL-UHFFFAOYSA-N 0 3 276.424 3.448 20 30 CGEDHN C#CCN(C)CCCOc1ccc2ccccc2c1 ZINC000792306050 629355965 /nfs/dbraw/zinc/35/59/65/629355965.db2.gz QVUPKXURIMIEQD-UHFFFAOYSA-N 0 3 253.345 3.174 20 30 CGEDHN C#C[C@H](CC)/N=C/c1ccc(N(CC)CC)cc1O ZINC000792570860 629367177 /nfs/dbraw/zinc/36/71/77/629367177.db2.gz SYMYZOCCUBSOFJ-RFRKOGIWSA-N 0 3 258.365 3.069 20 30 CGEDHN CC#CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796355274 629770752 /nfs/dbraw/zinc/77/07/52/629770752.db2.gz CXHWVKXGUASXMA-LJQANCHMSA-N 0 3 279.383 3.246 20 30 CGEDHN FC(F)(F)c1ccc([C@H]2CCC(=Nn3cnnc3)C2)cc1 ZINC000799463931 630185141 /nfs/dbraw/zinc/18/51/41/630185141.db2.gz MOFHCMKWRLOTIH-NSHDSACASA-N 0 3 294.280 3.469 20 30 CGEDHN C[C@H](C#N)OCCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000801912995 630364570 /nfs/dbraw/zinc/36/45/70/630364570.db2.gz LEEYVABEDPFBQF-LLVKDONJSA-N 0 3 286.297 3.066 20 30 CGEDHN COc1ccccc1[C@@H]1CCCCN1CCO[C@H](C)C#N ZINC000801919020 630366075 /nfs/dbraw/zinc/36/60/75/630366075.db2.gz FWZUHYWUXLGEAO-ZBFHGGJFSA-N 0 3 288.391 3.151 20 30 CGEDHN Cc1ccc([C@H]2CCCCCN2CCO[C@H](C)C#N)o1 ZINC000801922742 630366842 /nfs/dbraw/zinc/36/68/42/630366842.db2.gz OBXACBJVFGCJHG-HUUCEWRRSA-N 0 3 276.380 3.434 20 30 CGEDHN C[C@H](C#N)OCCN1CCCCC[C@@H]1c1ccco1 ZINC000801922137 630367137 /nfs/dbraw/zinc/36/71/37/630367137.db2.gz GFBYUJANBSBWJQ-ZIAGYGMSSA-N 0 3 262.353 3.125 20 30 CGEDHN C[C@H](C#N)OCCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000801924495 630367681 /nfs/dbraw/zinc/36/76/81/630367681.db2.gz PUXIAZHTXUYSIL-IOASZLSFSA-N 0 3 276.355 3.137 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCc2c3ccccc3[nH]c21)[C@H]1CCCO1 ZINC000808714100 630669837 /nfs/dbraw/zinc/66/98/37/630669837.db2.gz MOIBCQSGRKXYQB-CGTJXYLNSA-N 0 3 294.398 3.316 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1ccc(C#N)cc1F ZINC000808720401 630670296 /nfs/dbraw/zinc/67/02/96/630670296.db2.gz UUSJYQZJVKDBBU-ZJNRKIDTSA-N 0 3 298.361 3.470 20 30 CGEDHN C#Cc1ccc(CNCc2ccccc2N(C)CC)cc1 ZINC000809616409 630763446 /nfs/dbraw/zinc/76/34/46/630763446.db2.gz XDRRTESDJVGYGI-UHFFFAOYSA-N 0 3 278.399 3.414 20 30 CGEDHN C#Cc1ccc(CNCc2ccccc2N(C)C)cc1 ZINC000809633276 630769371 /nfs/dbraw/zinc/76/93/71/630769371.db2.gz KEVADAWJCBFITR-UHFFFAOYSA-N 0 3 264.372 3.024 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000809686385 630783092 /nfs/dbraw/zinc/78/30/92/630783092.db2.gz PUZCTDFUKXKCQQ-HNNXBMFYSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)C(C)C ZINC000811505028 631077272 /nfs/dbraw/zinc/07/72/72/631077272.db2.gz AUXZMEXGEWDKEF-CYBMUJFWSA-N 0 3 271.282 3.158 20 30 CGEDHN C#C[C@@H](NC1CC(C(F)F)C1)c1ccc(F)cc1 ZINC000812794191 631311596 /nfs/dbraw/zinc/31/15/96/631311596.db2.gz UQRRIQGULFIDKC-KGPNIALWSA-N 0 3 253.267 3.133 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCCC)c1ccccc1 ZINC000876554040 634855574 /nfs/dbraw/zinc/85/55/74/634855574.db2.gz ZTYVSYMPDPTFIW-AWEZNQCLSA-N 0 3 280.799 3.290 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1ccc(C)cc1 ZINC000876558306 634856488 /nfs/dbraw/zinc/85/64/88/634856488.db2.gz JSZKWVZXIFJHSY-ZIAGYGMSSA-N 0 3 280.799 3.032 20 30 CGEDHN C=CCOCCN1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000815057277 631709145 /nfs/dbraw/zinc/70/91/45/631709145.db2.gz NBXYCMZPKOZORW-QGZVFWFLSA-N 0 3 288.435 3.017 20 30 CGEDHN C=CCCCCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000823529748 633117880 /nfs/dbraw/zinc/11/78/80/633117880.db2.gz BRYRJAYUWSCTSN-HUUCEWRRSA-N 0 3 294.439 3.284 20 30 CGEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ccncc1Cl ZINC000866617215 633216258 /nfs/dbraw/zinc/21/62/58/633216258.db2.gz ZJIZYROZWNMGPY-XHDPSFHLSA-N 0 3 297.789 3.425 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCn3nccc32)cc1 ZINC000866631518 633221989 /nfs/dbraw/zinc/22/19/89/633221989.db2.gz BOWMXWMENZTOHS-RHSMWYFYSA-N 0 3 295.386 3.081 20 30 CGEDHN C#C[C@@H](NCc1ccc(-c2ccccc2)o1)C1CCOCC1 ZINC000827570620 633499879 /nfs/dbraw/zinc/49/98/79/633499879.db2.gz PEAQNXOCFCAOIB-GOSISDBHSA-N 0 3 295.382 3.465 20 30 CGEDHN COc1cncc(/C=C/CCN(CCC#N)CC(C)C)c1 ZINC000827936314 633536770 /nfs/dbraw/zinc/53/67/70/633536770.db2.gz JRDGZWXCSKSGGW-QPJJXVBHSA-N 0 3 287.407 3.365 20 30 CGEDHN C#CC[C@H]1CCCN(CCOc2ccccc2C(C)=O)C1 ZINC000829769126 633779201 /nfs/dbraw/zinc/77/92/01/633779201.db2.gz PEBWLYCTIDFQJF-INIZCTEOSA-N 0 3 285.387 3.003 20 30 CGEDHN C#C[C@H]1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000872139941 634063539 /nfs/dbraw/zinc/06/35/39/634063539.db2.gz SYEUNYKCEJZVIH-QEJZJMRPSA-N 0 3 255.361 3.161 20 30 CGEDHN CCOC(CN(Cc1ccc(C#N)cc1)C(C)C)OCC ZINC000123983777 634082415 /nfs/dbraw/zinc/08/24/15/634082415.db2.gz ZZHQKFFFKWQZGG-UHFFFAOYSA-N 0 3 290.407 3.168 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000834890113 634270172 /nfs/dbraw/zinc/27/01/72/634270172.db2.gz CYSTVNONKPNKLN-XPKDYRNWSA-N 0 3 261.365 3.085 20 30 CGEDHN CSc1ccc(N=NC2C[C@H](C)N(C3CC3)C2)cc1 ZINC000834999997 634307576 /nfs/dbraw/zinc/30/75/76/634307576.db2.gz ZTBGBQXZFCJTJY-NSHDSACASA-N 0 3 275.421 3.433 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC2(CCCCC2)C1 ZINC000876660293 634876503 /nfs/dbraw/zinc/87/65/03/634876503.db2.gz QILAVVMEJGOQRD-CYBMUJFWSA-N 0 3 284.831 3.029 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000876658019 634876815 /nfs/dbraw/zinc/87/68/15/634876815.db2.gz WMCVUUGTGBBQQL-CABCVRRESA-N 0 3 292.810 3.032 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000876679908 634880076 /nfs/dbraw/zinc/88/00/76/634880076.db2.gz KUWQIGMMYUZTHZ-CYBMUJFWSA-N 0 3 296.798 3.191 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1CC1CCC1 ZINC000876975451 634942444 /nfs/dbraw/zinc/94/24/44/634942444.db2.gz HFEJDKZFEHUUGJ-UONOGXRCSA-N 0 3 284.831 3.028 20 30 CGEDHN N#CC1CCC(NCc2ccn(-c3ccccc3)n2)CC1 ZINC000876984721 634943320 /nfs/dbraw/zinc/94/33/20/634943320.db2.gz MFYMIGWXVAYFCR-UHFFFAOYSA-N 0 3 280.375 3.044 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000876983892 634943376 /nfs/dbraw/zinc/94/33/76/634943376.db2.gz ZPCSIUAEFFURGO-JQWIXIFHSA-N 0 3 298.839 3.128 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877672307 635141643 /nfs/dbraw/zinc/14/16/43/635141643.db2.gz BGRYQTMNVMNNLR-PMACEKPBSA-N 0 3 291.394 3.366 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1cnn(C(C)(C)C)c1 ZINC000877703649 635155450 /nfs/dbraw/zinc/15/54/50/635155450.db2.gz CCRDIQJJBTUOCG-UHFFFAOYSA-N 0 3 296.418 3.184 20 30 CGEDHN CCC(CC)(CNCc1cccc(C#N)n1)C(F)(F)F ZINC000877707789 635158355 /nfs/dbraw/zinc/15/83/55/635158355.db2.gz HJROZAPTHIQURX-UHFFFAOYSA-N 0 3 285.313 3.412 20 30 CGEDHN CCCNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841618383 635198429 /nfs/dbraw/zinc/19/84/29/635198429.db2.gz DOISPUYVGUGADV-KRWDZBQOSA-N 0 3 271.408 3.342 20 30 CGEDHN N#Cc1cccc(CN2CC[C@]3(CCc4ccccc43)C2)n1 ZINC000877811314 635215496 /nfs/dbraw/zinc/21/54/96/635215496.db2.gz YXBGNYUWZHAGDB-LJQANCHMSA-N 0 3 289.382 3.043 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccccn1 ZINC000842684796 635439870 /nfs/dbraw/zinc/43/98/70/635439870.db2.gz NUCSANIFKYJJKH-KFWWJZLASA-N 0 3 268.360 3.474 20 30 CGEDHN N#CCC1(CN2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000878625148 635576339 /nfs/dbraw/zinc/57/63/39/635576339.db2.gz MOJRLHWIXPPFKD-GOSISDBHSA-N 0 3 282.387 3.150 20 30 CGEDHN CN(C[C@@H]1CC(C)(C)OC1(C)C)CC(C)(C)C#N ZINC000878650689 635590667 /nfs/dbraw/zinc/59/06/67/635590667.db2.gz OYDSHEJQLGXQLK-LBPRGKRZSA-N 0 3 252.402 3.062 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879239554 635731248 /nfs/dbraw/zinc/73/12/48/635731248.db2.gz CWCCSHDMFIAYTJ-OALUTQOASA-N 0 3 292.382 3.256 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000844437993 635901283 /nfs/dbraw/zinc/90/12/83/635901283.db2.gz AAOHHEFTQJHASX-HNNXBMFYSA-N 0 3 292.329 3.188 20 30 CGEDHN COc1ccc(CN2CC[C@@H](c3nccs3)C2)cc1C#N ZINC000880320831 635974766 /nfs/dbraw/zinc/97/47/66/635974766.db2.gz ZNWVBBKBZDJWKH-CYBMUJFWSA-N 0 3 299.399 3.013 20 30 CGEDHN C=CCC(C)(C)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845727460 636086415 /nfs/dbraw/zinc/08/64/15/636086415.db2.gz BIGTWSRZOCCRII-LBPRGKRZSA-N 0 3 253.386 3.005 20 30 CGEDHN COC[C@H](CC(C)(C)C)NCc1cc(C#N)ccc1F ZINC000845944556 636121740 /nfs/dbraw/zinc/12/17/40/636121740.db2.gz QSBJLZWFEYCLIL-AWEZNQCLSA-N 0 3 278.371 3.238 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000848397126 636566841 /nfs/dbraw/zinc/56/68/41/636566841.db2.gz UBTCKBGJEGRAIT-MRXNPFEDSA-N 0 3 281.359 3.190 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)N[C@H](C)c1ncnn1C ZINC000883218287 636591868 /nfs/dbraw/zinc/59/18/68/636591868.db2.gz XNKKWTSUJVDKCT-GDBMZVCRSA-N 0 3 284.407 3.043 20 30 CGEDHN C=CCC[C@H](N[C@H](C)c1nccn1CC)[C@@H]1CCCO1 ZINC000883227868 636599041 /nfs/dbraw/zinc/59/90/41/636599041.db2.gz ZZUYTWPVTVFVGQ-ILXRZTDVSA-N 0 3 277.412 3.067 20 30 CGEDHN C=CCC[C@@H](COc1ccccc1)N[C@@H](C)c1ccn(C)n1 ZINC000883228780 636600397 /nfs/dbraw/zinc/60/03/97/636600397.db2.gz UOMCQHQVXDYWLQ-HOTGVXAUSA-N 0 3 299.418 3.485 20 30 CGEDHN C=CCC[C@@H](NCc1noc2ccccc12)[C@H]1CCCO1 ZINC000883234088 636603069 /nfs/dbraw/zinc/60/30/69/636603069.db2.gz WGKJIMXEZVIPIF-RHSMWYFYSA-N 0 3 286.375 3.431 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OCCC)c2)C1 ZINC000848924035 636695172 /nfs/dbraw/zinc/69/51/72/636695172.db2.gz VERZIKWRILXSHB-HNNXBMFYSA-N 0 3 287.403 3.329 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cn(C)nc2C2CCCCC2)C1 ZINC000848923791 636695413 /nfs/dbraw/zinc/69/54/13/636695413.db2.gz JQYSFAKIGWAIBD-HNNXBMFYSA-N 0 3 285.435 3.313 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCC=C)C1 ZINC000848924214 636695600 /nfs/dbraw/zinc/69/56/00/636695600.db2.gz XPFATZQJZGKMDA-OAHLLOKOSA-N 0 3 255.361 3.097 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(COCC)c2)C1 ZINC000848924091 636695967 /nfs/dbraw/zinc/69/59/67/636695967.db2.gz NJEXECBSLUQKHW-HNNXBMFYSA-N 0 3 287.403 3.077 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(OC)cc1Cl ZINC000883392294 636737330 /nfs/dbraw/zinc/73/73/30/636737330.db2.gz DTRIHQXQOOZPQB-VXGBXAGGSA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(Br)CN[C@H]1C[C@H](OC)C1(CC)CC ZINC000132744281 636834490 /nfs/dbraw/zinc/83/44/90/636834490.db2.gz PSMQYVIZWSEALS-QWRGUYRKSA-N 0 3 276.218 3.078 20 30 CGEDHN C#CCN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000136107787 637287572 /nfs/dbraw/zinc/28/75/72/637287572.db2.gz XJTUYIMOLOZIAY-UHFFFAOYSA-N 0 3 262.356 3.346 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccccn1 ZINC000851997441 637567794 /nfs/dbraw/zinc/56/77/94/637567794.db2.gz KORILGODJKJYLT-GOSISDBHSA-N 0 3 282.387 3.193 20 30 CGEDHN C#C[C@@](C)(CC)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000852100017 637594622 /nfs/dbraw/zinc/59/46/22/637594622.db2.gz DRDARHVJNLMXDM-WFASDCNBSA-N 0 3 260.337 3.356 20 30 CGEDHN C[C@]1(CN2CCC[C@@H](CC#N)C2)CC1(Cl)Cl ZINC000852319740 637632952 /nfs/dbraw/zinc/63/29/52/637632952.db2.gz RFBCXIUSHYSINE-WDEREUQCSA-N 0 3 261.196 3.196 20 30 CGEDHN C=CC[C@@H]1CCCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000852410466 637648535 /nfs/dbraw/zinc/64/85/35/637648535.db2.gz MKFWLURSWUDIKW-IUODEOHRSA-N 0 3 281.346 3.286 20 30 CGEDHN C=CCC1(O)CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000886760028 637679370 /nfs/dbraw/zinc/67/93/70/637679370.db2.gz WJLILOHJJOIMOH-CYBMUJFWSA-N 0 3 263.356 3.290 20 30 CGEDHN C#CCCN(CCOC)Cc1ccc(C(F)F)cc1 ZINC000852749310 637706944 /nfs/dbraw/zinc/70/69/44/637706944.db2.gz VUXYCXJHCODPHS-UHFFFAOYSA-N 0 3 267.319 3.096 20 30 CGEDHN C=CC[C@H]1CCCN(Cn2nccc2-c2ccncc2)C1 ZINC000853536383 637864323 /nfs/dbraw/zinc/86/43/23/637864323.db2.gz BNRRLXBNUCQERR-HNNXBMFYSA-N 0 3 282.391 3.191 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CCCCO1)c1nc2ccccc2[nH]1 ZINC000111943157 637991077 /nfs/dbraw/zinc/99/10/77/637991077.db2.gz SZLFKPQTQRZUOB-OLZOCXBDSA-N 0 3 297.358 3.088 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@@H]2CCOC23CCCCC3)c1 ZINC000925474748 638507649 /nfs/dbraw/zinc/50/76/49/638507649.db2.gz KCCPLXVTLPZIND-MRXNPFEDSA-N 0 3 288.366 3.279 20 30 CGEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000925601943 638542556 /nfs/dbraw/zinc/54/25/56/638542556.db2.gz PWXYIHOVQTWUQY-BBRMVZONSA-N 0 3 281.359 3.483 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000925699472 638572337 /nfs/dbraw/zinc/57/23/37/638572337.db2.gz WKFCFTOWDZCHIB-QFBILLFUSA-N 0 3 296.414 3.254 20 30 CGEDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)CC(C)(C)C#N)CCO2 ZINC000926191515 638736178 /nfs/dbraw/zinc/73/61/78/638736178.db2.gz BYDOHGFMVRFHDL-WFASDCNBSA-N 0 3 288.391 3.437 20 30 CGEDHN Cc1nc2c(o1)CCC[C@@H]2NCC1CCC(C#N)CC1 ZINC000926357142 638765834 /nfs/dbraw/zinc/76/58/34/638765834.db2.gz TYOKEWKIMGQPFS-RUXDESIVSA-N 0 3 273.380 3.280 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926546937 638783863 /nfs/dbraw/zinc/78/38/63/638783863.db2.gz ZTZSWFFJOPTINL-BXUZGUMPSA-N 0 3 280.799 3.029 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000926591086 638788693 /nfs/dbraw/zinc/78/86/93/638788693.db2.gz HQXFYNKFHHACLW-BMFZPTHFSA-N 0 3 282.391 3.061 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H]1COCc2cccc(Cl)c21 ZINC000926611966 638791099 /nfs/dbraw/zinc/79/10/99/638791099.db2.gz VETOMGDRHXVORM-CQDKDKBSSA-N 0 3 293.794 3.092 20 30 CGEDHN C[C@@H](C(=O)Nc1ccc(CCC#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000928406954 638881232 /nfs/dbraw/zinc/88/12/32/638881232.db2.gz ZUIHYUSZOFDTNF-ZNMIVQPWSA-N 0 3 299.418 3.343 20 30 CGEDHN N#CC[C@@H](O)CN[C@@H](CCc1ccccc1)c1ccccc1 ZINC000930208394 638983062 /nfs/dbraw/zinc/98/30/62/638983062.db2.gz OXUZTTJWAWCSOP-MOPGFXCFSA-N 0 3 294.398 3.225 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CCCCC[C@H]2CCO)c1 ZINC000930370514 638993458 /nfs/dbraw/zinc/99/34/58/638993458.db2.gz HPKQGWIPKGQIFU-INIZCTEOSA-N 0 3 292.810 3.339 20 30 CGEDHN N#Cc1sc(NC[C@@H]2CCN2C2CCCC2)nc1Cl ZINC000858781997 639021461 /nfs/dbraw/zinc/02/14/61/639021461.db2.gz ZACPVLLLEBSVRJ-JTQLQIEISA-N 0 3 296.827 3.097 20 30 CGEDHN N#CC1(CCCCN2CCO[C@@H]3CCC[C@@H]32)CCC1 ZINC000931180772 639121792 /nfs/dbraw/zinc/12/17/92/639121792.db2.gz FGNATTGAULXYJX-LSDHHAIUSA-N 0 3 262.397 3.104 20 30 CGEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](C)C1(F)F ZINC000859412571 639137853 /nfs/dbraw/zinc/13/78/53/639137853.db2.gz UHFDAGKAFJNVHR-STQMWFEESA-N 0 3 294.345 3.312 20 30 CGEDHN N#CCOc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000859534406 639157497 /nfs/dbraw/zinc/15/74/97/639157497.db2.gz BAYUCLDGEKXEMJ-UHFFFAOYSA-N 0 3 280.318 3.210 20 30 CGEDHN CCCCCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000859702708 639194508 /nfs/dbraw/zinc/19/45/08/639194508.db2.gz WFNLFTDTWGFABO-UHFFFAOYSA-N 0 3 275.396 3.382 20 30 CGEDHN COc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1C#N ZINC000934694643 639659339 /nfs/dbraw/zinc/65/93/39/639659339.db2.gz IFRCQDVUSDHDNS-SFHVURJKSA-N 0 3 293.370 3.203 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000935116723 639752402 /nfs/dbraw/zinc/75/24/02/639752402.db2.gz AOBIJAQEMBEUOQ-KYJSFNMBSA-N 0 3 286.419 3.150 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C23CCC(CC2)CC3)CC1 ZINC001006435722 640211287 /nfs/dbraw/zinc/21/12/87/640211287.db2.gz QTIMDGHWWZDMKJ-UHFFFAOYSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001017821743 641017535 /nfs/dbraw/zinc/01/75/35/641017535.db2.gz GYXVXEZWWVVQNA-TWMKSMIVSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001020379665 641046135 /nfs/dbraw/zinc/04/61/35/641046135.db2.gz DIBQHYQWTPWFJT-SHTZXODSSA-N 0 3 298.858 3.336 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCCCC)C(C)C ZINC001156277476 805669831 /nfs/dbraw/zinc/66/98/31/805669831.db2.gz VORHELXPGBDBCR-SJORKVTESA-N 0 3 294.483 3.299 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC001157897647 805900893 /nfs/dbraw/zinc/90/08/93/805900893.db2.gz INTQGHGTIZPUNQ-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCOC[C@H]1C1CC1 ZINC001252133783 806019473 /nfs/dbraw/zinc/01/94/73/806019473.db2.gz SIJZVGMULIFGOV-SJORKVTESA-N 0 3 283.456 3.209 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cccc(F)n1 ZINC001252134426 806019790 /nfs/dbraw/zinc/01/97/90/806019790.db2.gz RFOLVMVYSYMVAL-HNNXBMFYSA-N 0 3 282.403 3.422 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](c1cccnc1Cl)C1CC1 ZINC001252623646 806094102 /nfs/dbraw/zinc/09/41/02/806094102.db2.gz OAPSPRXRBUXGTB-JSGCOSHPSA-N 0 3 280.799 3.103 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1CCN(CC(C)C)CC1 ZINC001253237094 806188245 /nfs/dbraw/zinc/18/82/45/806188245.db2.gz VQJUIYPEFCPHNZ-GOSISDBHSA-N 0 3 296.499 3.148 20 30 CGEDHN C=CCCCCCC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001253247154 806194162 /nfs/dbraw/zinc/19/41/62/806194162.db2.gz GESQTPFDLFCZSJ-INIZCTEOSA-N 0 3 277.408 3.369 20 30 CGEDHN C=C[C@H](O)CN1CCC[C@H]1c1ccccc1Br ZINC001253567352 806261276 /nfs/dbraw/zinc/26/12/76/806261276.db2.gz NBPJEEVSJMZDSW-FZMZJTMJSA-N 0 3 296.208 3.133 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)ccc1OCC ZINC001160953419 806329345 /nfs/dbraw/zinc/32/93/45/806329345.db2.gz ALQVHDDIIKOABF-LBPRGKRZSA-N 0 3 295.814 3.196 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001161126056 806351951 /nfs/dbraw/zinc/35/19/51/806351951.db2.gz NQLMQUJMCHWJBG-CRAIPNDOSA-N 0 3 290.451 3.137 20 30 CGEDHN N#CCCN([C@H]1CCCOC1)C1CCCCCCC1 ZINC001254384936 806390144 /nfs/dbraw/zinc/39/01/44/806390144.db2.gz VPEKRQDFCYYZIF-INIZCTEOSA-N 0 3 264.413 3.494 20 30 CGEDHN Cc1cccc2c1[C@H](N[C@@H]1CC[C@H](C#N)C1)CCO2 ZINC001254636751 806466767 /nfs/dbraw/zinc/46/67/67/806466767.db2.gz ZWPYILWEHLXVGM-BFHYXJOUSA-N 0 3 256.349 3.101 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001255152522 806554973 /nfs/dbraw/zinc/55/49/73/806554973.db2.gz VXUZWVLUKQYUKX-MGPQQGTHSA-N 0 3 295.427 3.104 20 30 CGEDHN CC[C@@H](CC#N)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255152640 806555699 /nfs/dbraw/zinc/55/56/99/806555699.db2.gz ZOPIZIHKLQMPJE-ZDUSSCGKSA-N 0 3 295.427 3.058 20 30 CGEDHN CC[C@@H](CC#N)NCC1(Cc2ccc(F)cc2)CC1 ZINC001255160025 806558097 /nfs/dbraw/zinc/55/80/97/806558097.db2.gz FEVIFBIAIYWALK-HNNXBMFYSA-N 0 3 260.356 3.430 20 30 CGEDHN CN1CCC[C@](C)(Nc2nc(Cl)cc(Cl)c2C#N)C1 ZINC001162338621 806558513 /nfs/dbraw/zinc/55/85/13/806558513.db2.gz COOLXHLBQXEJMZ-ZDUSSCGKSA-N 0 3 299.205 3.156 20 30 CGEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 ZINC000037505900 798869033 /nfs/dbraw/zinc/86/90/33/798869033.db2.gz BBYKTKGJLSAKKE-UHFFFAOYSA-N 0 3 294.383 3.300 20 30 CGEDHN C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1[O-] ZINC000037748617 798873561 /nfs/dbraw/zinc/87/35/61/798873561.db2.gz WAXAORPFMAFGHG-LBPRGKRZSA-N 0 3 252.317 3.115 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCCC1 ZINC000122635405 798992131 /nfs/dbraw/zinc/99/21/31/798992131.db2.gz OYBLYOPIUMYEMD-CYBMUJFWSA-N 0 3 281.359 3.330 20 30 CGEDHN CN(C)[C@H](C/N=C\c1ccccc1O)c1ccc(F)cc1 ZINC000126915703 799010610 /nfs/dbraw/zinc/01/06/10/799010610.db2.gz YLDGQAFSOGCQOQ-VXIUPONVSA-N 0 3 286.350 3.253 20 30 CGEDHN CN(C)[C@@H](C/N=C/c1ccccc1O)c1ccc(F)cc1 ZINC000126915507 799010898 /nfs/dbraw/zinc/01/08/98/799010898.db2.gz YLDGQAFSOGCQOQ-ZVCOJXFSSA-N 0 3 286.350 3.253 20 30 CGEDHN CC(C)(C)N1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162877989 799081412 /nfs/dbraw/zinc/08/14/12/799081412.db2.gz SNQLSQSHUXXORQ-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN Cc1cc(N[C@H]2CNCc3ccsc32)ccc1CC#N ZINC001163230052 806730383 /nfs/dbraw/zinc/73/03/83/806730383.db2.gz UCXPJGGRGJLBCG-HNNXBMFYSA-N 0 3 283.400 3.379 20 30 CGEDHN CCCCCCC[C@H](C)NCc1cn(CC)nn1 ZINC000404408255 799575828 /nfs/dbraw/zinc/57/58/28/799575828.db2.gz GBEGJNWGONTHGQ-ZDUSSCGKSA-N 0 3 252.406 3.137 20 30 CGEDHN C[C@@H]1C[C@H](NCc2nc(C#N)cs2)CC(C)(C)C1 ZINC000708294460 799985964 /nfs/dbraw/zinc/98/59/64/799985964.db2.gz OCYWCDKGKGISTN-MNOVXSKESA-N 0 3 263.410 3.319 20 30 CGEDHN CCN(C[C@H](C)C#N)C[C@@H]1CC(C)(C)OC1(C)C ZINC000711277227 800051059 /nfs/dbraw/zinc/05/10/59/800051059.db2.gz HCDCXACDLSIHKF-OLZOCXBDSA-N 0 3 252.402 3.062 20 30 CGEDHN C#CC[C@H](COC)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000716950435 800186735 /nfs/dbraw/zinc/18/67/35/800186735.db2.gz WRKWJFZULUWZTQ-DMDPSCGWSA-N 0 3 281.446 3.301 20 30 CGEDHN Cc1nc2c(o1)CCC[C@H]2NCCc1ccc(C#N)cc1 ZINC000826779456 800477660 /nfs/dbraw/zinc/47/76/60/800477660.db2.gz JEGYCXVXYGTHAI-OAHLLOKOSA-N 0 3 281.359 3.064 20 30 CGEDHN COc1cccc(C[C@@H](C)NC2(CC#N)CCCC2)c1 ZINC001256156749 806838435 /nfs/dbraw/zinc/83/84/35/806838435.db2.gz POCSJNXHYFOBFN-CQSZACIVSA-N 0 3 272.392 3.442 20 30 CGEDHN COC(C)(C)[C@H](C)NCc1cc(Cl)ccc1OCC#N ZINC000932367884 800659341 /nfs/dbraw/zinc/65/93/41/800659341.db2.gz BNYNIRJCQBXJFF-NSHDSACASA-N 0 3 296.798 3.145 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC001006209696 800699181 /nfs/dbraw/zinc/69/91/81/800699181.db2.gz DQZXUMCHUPQKQN-SJLPKXTDSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1sccc1Cl ZINC001027900356 800826061 /nfs/dbraw/zinc/82/60/61/800826061.db2.gz FCAXBRHPGMAKEH-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027891432 800826480 /nfs/dbraw/zinc/82/64/80/800826480.db2.gz XCZDNCZCNJDHHS-HRCADAONSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001028181544 800835466 /nfs/dbraw/zinc/83/54/66/800835466.db2.gz VSYCHHGNJYPREK-GFCCVEGCSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CCC[C@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029917581 800878917 /nfs/dbraw/zinc/87/89/17/800878917.db2.gz OLUWKSKTSJKJKS-SFHVURJKSA-N 0 3 286.419 3.076 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033299341 800956751 /nfs/dbraw/zinc/95/67/51/800956751.db2.gz CCRYMBZYGARUQK-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033633801 800970806 /nfs/dbraw/zinc/97/08/06/800970806.db2.gz XJFHHYCDLLGSMU-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033698486 800974565 /nfs/dbraw/zinc/97/45/65/800974565.db2.gz SKLHQWSLRXYWAF-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033698489 800974871 /nfs/dbraw/zinc/97/48/71/800974871.db2.gz SKLHQWSLRXYWAF-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001034226347 801012374 /nfs/dbraw/zinc/01/23/74/801012374.db2.gz RDADMQJBFGJCEB-INIZCTEOSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034376946 801021620 /nfs/dbraw/zinc/02/16/20/801021620.db2.gz QIUAQLNXDZPHSQ-UYSNPLJNSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001034497833 801029782 /nfs/dbraw/zinc/02/97/82/801029782.db2.gz HERYAJMEOFYJOX-HNNXBMFYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038955299 801137864 /nfs/dbraw/zinc/13/78/64/801137864.db2.gz WUTWHLACPSYXAY-OAHLLOKOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039053707 801142346 /nfs/dbraw/zinc/14/23/46/801142346.db2.gz LMHCTOOIHXEKDJ-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001039422232 801161580 /nfs/dbraw/zinc/16/15/80/801161580.db2.gz OXRPPJCVUTYLLV-PMPSAXMXSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCN1CC[C@@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046820684 801327910 /nfs/dbraw/zinc/32/79/10/801327910.db2.gz MEEAMXLADKYCMI-CQSZACIVSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1CC[C@](C)(NC(=O)c2ccc(F)s2)C1 ZINC001046867471 801330644 /nfs/dbraw/zinc/33/06/44/801330644.db2.gz GVVRPWSSDQZWGI-HNNXBMFYSA-N 0 3 296.411 3.048 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049500177 801376544 /nfs/dbraw/zinc/37/65/44/801376544.db2.gz CXTMEJNCMRIXCM-ZIAGYGMSSA-N 0 3 296.842 3.016 20 30 CGEDHN Cc1cc(F)c(C#N)c(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC001164190855 806911692 /nfs/dbraw/zinc/91/16/92/806911692.db2.gz PDCHRUPRSKZDJR-QGZVFWFLSA-N 0 3 295.361 3.157 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(C)s2)CC[C@@H]1C ZINC001071299018 801524556 /nfs/dbraw/zinc/52/45/56/801524556.db2.gz DTDQGVRVQSMEJA-GXTWGEPZSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CC3(CCC3)C2)CC[C@H]1C ZINC001071740955 801546649 /nfs/dbraw/zinc/54/66/49/801546649.db2.gz CBUKVJDRSJJGTH-ZBFHGGJFSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(Cl)CN1CCC[C@H](C2CCN(C(C)=O)CC2)CC1 ZINC001075441674 801600866 /nfs/dbraw/zinc/60/08/66/801600866.db2.gz MJXLZKOMMWGQEE-HNNXBMFYSA-N 0 3 298.858 3.100 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001081040475 801659406 /nfs/dbraw/zinc/65/94/06/801659406.db2.gz GCRGNMFABZEIOD-CZUORRHYSA-N 0 3 298.386 3.059 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001085836970 801707444 /nfs/dbraw/zinc/70/74/44/801707444.db2.gz YFOOPKWRYBHCSN-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001085991024 801715545 /nfs/dbraw/zinc/71/55/45/801715545.db2.gz CWXVPMWKAJVSDE-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1CC ZINC001087843899 801770780 /nfs/dbraw/zinc/77/07/80/801770780.db2.gz WFKTZWPZHWOVOI-HRCADAONSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2CCCC2)C1 ZINC001088248108 801777137 /nfs/dbraw/zinc/77/71/37/801777137.db2.gz ILEAGPGDMJGAQN-OAHLLOKOSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001091188023 801854263 /nfs/dbraw/zinc/85/42/63/801854263.db2.gz SOQDUYAOBGAFDZ-RUXDESIVSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CC=CCC1)C2 ZINC001097129997 801898684 /nfs/dbraw/zinc/89/86/84/801898684.db2.gz BBJJGXDLTKLVEG-XLMAVXFVSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC ZINC001098916776 801919366 /nfs/dbraw/zinc/91/93/66/801919366.db2.gz UFJMXVHPSXCUMG-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001098983964 801924442 /nfs/dbraw/zinc/92/44/42/801924442.db2.gz UJRVAURYSRZBDH-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](CC)CCC)C1 ZINC001100798234 801965194 /nfs/dbraw/zinc/96/51/94/801965194.db2.gz VRJRMHVZZLQKBG-MOKVOYLWSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(CC)CC)C1 ZINC001101004679 801968041 /nfs/dbraw/zinc/96/80/41/801968041.db2.gz FFBOHNPBWMQTGW-UHFFFAOYSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102264669 802004312 /nfs/dbraw/zinc/00/43/12/802004312.db2.gz VBSSSEAOUASBDF-VNOZKIMMSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(CC)CC2)C1 ZINC001103406715 802033408 /nfs/dbraw/zinc/03/34/08/802033408.db2.gz TXHHOGFHPSWEGR-TZMCWYRMSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CCC)C2 ZINC001109051966 802105957 /nfs/dbraw/zinc/10/59/57/802105957.db2.gz MCBAHMDSQFXRFU-WCVJEAGWSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110608373 802146335 /nfs/dbraw/zinc/14/63/35/802146335.db2.gz KZXAWMDZOIUCRY-KURKYZTESA-N 0 3 298.430 3.264 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](CC)C(C)C)C2 ZINC001111296833 802157576 /nfs/dbraw/zinc/15/75/76/802157576.db2.gz XTNUIWZRLJXODK-HZMVEIRTSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)/C(C)=C/C)CCCCC1 ZINC001115473010 802265414 /nfs/dbraw/zinc/26/54/14/802265414.db2.gz KIBWLJNGCNCAJQ-UUILKARUSA-N 0 3 284.831 3.114 20 30 CGEDHN Cc1c([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC001116478132 802362609 /nfs/dbraw/zinc/36/26/09/802362609.db2.gz XAVPDDQLMNARSL-KPZWWZAWSA-N 0 3 294.402 3.328 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H](C=C)CC)CC1 ZINC001266388457 808254143 /nfs/dbraw/zinc/25/41/43/808254143.db2.gz DZXVBHDBPDMOOU-MRXNPFEDSA-N 0 3 292.467 3.478 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001275411966 808934858 /nfs/dbraw/zinc/93/48/58/808934858.db2.gz DLHQWLUCJAGMTB-WDEREUQCSA-N 0 3 293.238 3.145 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)s1 ZINC001119260113 802640084 /nfs/dbraw/zinc/64/00/84/802640084.db2.gz YEBGDDWHRWWCFH-IAGOWNOFSA-N 0 3 298.411 3.318 20 30 CGEDHN N#CCc1ccc(CNCc2cccn2C2CC2)cc1 ZINC001119283557 802642698 /nfs/dbraw/zinc/64/26/98/802642698.db2.gz VLHPHIUBVAOJOY-UHFFFAOYSA-N 0 3 265.360 3.179 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C(CC)CC)C2 ZINC001120677764 802760265 /nfs/dbraw/zinc/76/02/65/802760265.db2.gz OFPKVXDCKOSAON-UHFFFAOYSA-N 0 3 298.858 3.192 20 30 CGEDHN CC[C@@H](F)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC001122392957 802867559 /nfs/dbraw/zinc/86/75/59/802867559.db2.gz GNUOQSBZNGLAKX-NWDGAFQWSA-N 0 3 256.280 3.159 20 30 CGEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1C ZINC001122395257 802868789 /nfs/dbraw/zinc/86/87/89/802868789.db2.gz PKMDBYKBQRKSBD-GFCCVEGCSA-N 0 3 286.356 3.259 20 30 CGEDHN CCCC[C@](C)(F)C(=O)C(C#N)c1ncc(Cl)n1C ZINC001123232540 802919153 /nfs/dbraw/zinc/91/91/53/802919153.db2.gz ACOYILQGOTZJMB-RNCFNFMXSA-N 0 3 285.750 3.168 20 30 CGEDHN CC1(C)CC[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123381131 802938998 /nfs/dbraw/zinc/93/89/98/802938998.db2.gz GHWGHHPJUCQCDP-KOLCDFICSA-N 0 3 278.302 3.362 20 30 CGEDHN C=C1CCC(C(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC001126857517 803117907 /nfs/dbraw/zinc/11/79/07/803117907.db2.gz JMBFAUQKWUHHPX-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CN(C)c1ccnc(-c2cccc(C3(C#N)CC3)c2)c1 ZINC001244073403 803171622 /nfs/dbraw/zinc/17/16/22/803171622.db2.gz VKNXNGGNBWLXSF-UHFFFAOYSA-N 0 3 263.344 3.370 20 30 CGEDHN CCCCCCCN1C[C@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131742770 803340552 /nfs/dbraw/zinc/34/05/52/803340552.db2.gz HFDMRPLNIADJIZ-CHWSQXEVSA-N 0 3 290.398 3.191 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131943430 803360254 /nfs/dbraw/zinc/36/02/54/803360254.db2.gz PJOKLLPOPFVBQX-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN CC#CCCCC(=O)N[C@@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001132224858 803382321 /nfs/dbraw/zinc/38/23/21/803382321.db2.gz RHDVXMZSLGEFKM-DLBZAZTESA-N 0 3 290.451 3.115 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132273356 803389737 /nfs/dbraw/zinc/38/97/37/803389737.db2.gz FKXZKHKBFKGYJY-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCCF)C2)CC1 ZINC001132290583 803391386 /nfs/dbraw/zinc/39/13/86/803391386.db2.gz FJXQULJFWNVJQB-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN N#CCOc1ccc(CN2CC(c3ccccc3)C2)cc1 ZINC001137120304 803685176 /nfs/dbraw/zinc/68/51/76/803685176.db2.gz CFPFJUQBYVZYFI-UHFFFAOYSA-N 0 3 278.355 3.188 20 30 CGEDHN CC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1[O-] ZINC001137121471 803685397 /nfs/dbraw/zinc/68/53/97/803685397.db2.gz NCIBXRYMTOFCMV-UHFFFAOYSA-N 0 3 296.370 3.317 20 30 CGEDHN CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1[O-] ZINC001137121471 803685401 /nfs/dbraw/zinc/68/54/01/803685401.db2.gz NCIBXRYMTOFCMV-UHFFFAOYSA-N 0 3 296.370 3.317 20 30 CGEDHN CC(C)(C)c1ccc(CN2CCC(S)CC2)[nH]1 ZINC001137378274 803725699 /nfs/dbraw/zinc/72/56/99/803725699.db2.gz SFKDTHVKHZJMHG-UHFFFAOYSA-N 0 3 252.427 3.206 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(F)c1F ZINC001137965901 803812577 /nfs/dbraw/zinc/81/25/77/803812577.db2.gz GESMNMXTUJCNLJ-GFCCVEGCSA-N 0 3 295.354 3.047 20 30 CGEDHN CCc1cccc2c(CN3CCC(C#N)CC3)c[nH]c21 ZINC001138359796 803901840 /nfs/dbraw/zinc/90/18/40/803901840.db2.gz ITDCMRSZSXTDRU-UHFFFAOYSA-N 0 3 267.376 3.466 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@](C)(F)C2)c1[O-] ZINC001138625492 803983972 /nfs/dbraw/zinc/98/39/72/803983972.db2.gz MLVXZSLHOFOMGD-MRXNPFEDSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@](C)(F)C2)c1[O-] ZINC001138625492 803983977 /nfs/dbraw/zinc/98/39/77/803983977.db2.gz MLVXZSLHOFOMGD-MRXNPFEDSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCOc1ccccc1CN1CCC2(CCOC2)CC1 ZINC001139027425 804111987 /nfs/dbraw/zinc/11/19/87/804111987.db2.gz YAXAXZRHWRHSCY-UHFFFAOYSA-N 0 3 287.403 3.254 20 30 CGEDHN C=CCOc1ccccc1CN1CCCC[C@@H]1COC ZINC001139028877 804112411 /nfs/dbraw/zinc/11/24/11/804112411.db2.gz HNSRWTPPPFPAFB-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN COc1ccc2c(c1)c(CN1CCC[C@H](CC#N)C1)cn2C ZINC001139150538 804137925 /nfs/dbraw/zinc/13/79/25/804137925.db2.gz PLHWMEHJLHKDJG-CQSZACIVSA-N 0 3 297.402 3.313 20 30 CGEDHN C[C@]1(F)CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139526083 804201076 /nfs/dbraw/zinc/20/10/76/804201076.db2.gz TWNYYCROPFFDTD-HNNXBMFYSA-N 0 3 264.319 3.411 20 30 CGEDHN CCCCN1CCN(Cc2cccc(Cl)c2C#N)CC1 ZINC001139691120 804255701 /nfs/dbraw/zinc/25/57/01/804255701.db2.gz SWNPLCUECLPXFO-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN CCCCCCCCC[C@H](C)N[C@@H]1CNCCC1=O ZINC001246293078 804262092 /nfs/dbraw/zinc/26/20/92/804262092.db2.gz OVIQEKSPANTFOA-LSDHHAIUSA-N 0 3 268.445 3.036 20 30 CGEDHN CCCCCCCC[C@@H](CC)N[C@H]1CNCCC1=O ZINC001246293923 804263209 /nfs/dbraw/zinc/26/32/09/804263209.db2.gz PYFMRVOYHPIBCS-CABCVRRESA-N 0 3 268.445 3.036 20 30 CGEDHN C=CCn1cc(CN2CCC[C@H]3CCCC[C@@H]32)cn1 ZINC001139772577 804277220 /nfs/dbraw/zinc/27/72/20/804277220.db2.gz LIOJHPFLCVKXII-CVEARBPZSA-N 0 3 259.397 3.224 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2cnn(C)c2c1 ZINC001139909059 804325344 /nfs/dbraw/zinc/32/53/44/804325344.db2.gz NTYNGBVEWYQYEN-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CCOC4)CC3)c2c1 ZINC001140110918 804379362 /nfs/dbraw/zinc/37/93/62/804379362.db2.gz UZJDYHLAGNTJEF-UHFFFAOYSA-N 0 3 295.386 3.042 20 30 CGEDHN CCN(Cc1c[nH]c2ccc(C#N)cc12)Cc1ccncc1 ZINC001140112044 804380636 /nfs/dbraw/zinc/38/06/36/804380636.db2.gz PPPQBAIOGHRDEW-UHFFFAOYSA-N 0 3 290.370 3.457 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(Cl)c1 ZINC001140796880 804519301 /nfs/dbraw/zinc/51/93/01/804519301.db2.gz BVIZXQBUJRRKBU-AWEZNQCLSA-N 0 3 293.819 3.423 20 30 CGEDHN N#CC1CCC(N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001256973304 807020569 /nfs/dbraw/zinc/02/05/69/807020569.db2.gz OKBIGSYNSFGRDW-ABHNRTSZSA-N 0 3 284.403 3.012 20 30 CGEDHN Fc1cc2ncccc2cc1CN1CCC(S)CC1 ZINC001141630833 804658923 /nfs/dbraw/zinc/65/89/23/804658923.db2.gz CSQVNFOSZRVGKP-UHFFFAOYSA-N 0 3 276.380 3.268 20 30 CGEDHN N#CCC1CCN(Cc2ccc3cc(F)ccc3n2)CC1 ZINC001141649628 804660882 /nfs/dbraw/zinc/66/08/82/804660882.db2.gz YEEYLMVQMWZBCD-UHFFFAOYSA-N 0 3 283.350 3.500 20 30 CGEDHN C[C@@H]1C[C@H](O)CN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141973082 804683042 /nfs/dbraw/zinc/68/30/42/804683042.db2.gz XZECIWAYYRWSLP-ZBFHGGJFSA-N 0 3 297.423 3.103 20 30 CGEDHN Cc1cc(CN2CCC(S)CC2)cc(C)c1F ZINC001143382215 804843231 /nfs/dbraw/zinc/84/32/31/804843231.db2.gz WQEJUYFQINNFTC-UHFFFAOYSA-N 0 3 253.386 3.337 20 30 CGEDHN N#Cc1ccc(C2CCC(N3CC[C@@H](C#N)C3)CC2)cc1 ZINC001257018921 807029039 /nfs/dbraw/zinc/02/90/39/807029039.db2.gz HNIGUQOONCJDIV-ZLPCBKJTSA-N 0 3 279.387 3.430 20 30 CGEDHN N#Cc1ccc(C2CCC(N3C[C@H]4CC[C@@H]3CO4)CC2)cc1 ZINC001257023048 807029393 /nfs/dbraw/zinc/02/93/93/807029393.db2.gz UCYDARMQHXSUEU-CSODTCANSA-N 0 3 296.414 3.448 20 30 CGEDHN CO[C@@H]1CCN(Cc2cc3ccc(C#N)cc3[nH]2)[C@H](C)C1 ZINC001249430826 805148810 /nfs/dbraw/zinc/14/88/10/805148810.db2.gz IDXBFAXFKCTMQE-MLGOLLRUSA-N 0 3 283.375 3.039 20 30 CGEDHN CC#CCNCCNC(=O)CCCCCCCCCC ZINC001148751958 805208413 /nfs/dbraw/zinc/20/84/13/805208413.db2.gz UWTHDKUCRHOMRO-UHFFFAOYSA-N 0 3 280.456 3.246 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001152313441 805343579 /nfs/dbraw/zinc/34/35/79/805343579.db2.gz LUMJKDISVXDOCC-CQSZACIVSA-N 0 3 292.398 3.119 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C(CCC)CCC ZINC001165309750 806992872 /nfs/dbraw/zinc/99/28/72/806992872.db2.gz JSOVRMMKHITNFP-UHFFFAOYSA-N 0 3 274.836 3.051 20 30 CGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H](CC)CCC ZINC001257263604 807078535 /nfs/dbraw/zinc/07/85/35/807078535.db2.gz UOYQCZOFNLHGSZ-GDBMZVCRSA-N 0 3 291.439 3.101 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C12CCC(CC1)C2(C)C ZINC001167859271 807263425 /nfs/dbraw/zinc/26/34/25/807263425.db2.gz WBKYBHGXAWBHLY-UHFFFAOYSA-N 0 3 298.858 3.051 20 30 CGEDHN CCCCCCC[C@@H](C)N[C@H](CO)c1ccccn1 ZINC001258040697 807271015 /nfs/dbraw/zinc/27/10/15/807271015.db2.gz GWEVQCAXBYISCX-GDBMZVCRSA-N 0 3 264.413 3.454 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(c2ncccn2)CC1 ZINC001258044269 807274284 /nfs/dbraw/zinc/27/42/84/807274284.db2.gz ZUKMZRGCOWZMHS-INIZCTEOSA-N 0 3 290.455 3.348 20 30 CGEDHN CCCCCCCCC[C@@H](C)n1nncc1CN ZINC001258231626 807378305 /nfs/dbraw/zinc/37/83/05/807378305.db2.gz RXTRPLFWBKOFID-CYBMUJFWSA-N 0 3 252.406 3.439 20 30 CGEDHN CCCCCCCCC[C@@H](C)N1CCCNC(=O)C1 ZINC001258229992 807378959 /nfs/dbraw/zinc/37/89/59/807378959.db2.gz WWNGREJSQYLNAC-OAHLLOKOSA-N 0 3 268.445 3.338 20 30 CGEDHN N#CCCCCNc1cc(CN2CCCCC2)ccn1 ZINC001168426725 807411934 /nfs/dbraw/zinc/41/19/34/807411934.db2.gz DIJHDLWQHHZQMG-UHFFFAOYSA-N 0 3 272.396 3.173 20 30 CGEDHN C=CCN(CCCC(=O)OC(C)(C)C)CCc1ccco1 ZINC001168578607 807451085 /nfs/dbraw/zinc/45/10/85/807451085.db2.gz CKBQWOIILUDDJP-UHFFFAOYSA-N 0 3 293.407 3.432 20 30 CGEDHN N#Cc1ccccc1CN[C@H]1Cc2cccc(Cl)c2C1 ZINC001168684267 807477628 /nfs/dbraw/zinc/47/76/28/807477628.db2.gz ILUGPYFQVIOGCZ-HNNXBMFYSA-N 0 3 282.774 3.469 20 30 CGEDHN CCCN(CCC#N)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258525938 807484674 /nfs/dbraw/zinc/48/46/74/807484674.db2.gz OMZLCMUAIBIMNO-UHFFFAOYSA-N 0 3 294.439 3.324 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001258725137 807573503 /nfs/dbraw/zinc/57/35/03/807573503.db2.gz IFRXDZCDAGRXGE-KBPBESRZSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCC[C@H](C)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001258733228 807579277 /nfs/dbraw/zinc/57/92/77/807579277.db2.gz WOGLVWWVBIJLKZ-RDJZCZTQSA-N 0 3 259.393 3.285 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC001169233766 807611200 /nfs/dbraw/zinc/61/12/00/807611200.db2.gz PIIVYGVAVSOCAP-UHFFFAOYSA-N 0 3 285.309 3.471 20 30 CGEDHN COc1ccccc1C[C@H](C)N1CCC(C)(C#N)CC1 ZINC001258894208 807667654 /nfs/dbraw/zinc/66/76/54/807667654.db2.gz QZSVEOFIMJBXEM-AWEZNQCLSA-N 0 3 272.392 3.252 20 30 CGEDHN C#C[C@](C)(CC)Nc1ccc([C@@H]2CCCCN2C)cn1 ZINC001169697969 807690292 /nfs/dbraw/zinc/69/02/92/807690292.db2.gz PHDNGASYAIVMAD-DOTOQJQBSA-N 0 3 271.408 3.452 20 30 CGEDHN C#C[C@@](C)(CC)Nc1ccc([C@H]2CCCCN2C)cn1 ZINC001169697972 807690695 /nfs/dbraw/zinc/69/06/95/807690695.db2.gz PHDNGASYAIVMAD-WBVHZDCISA-N 0 3 271.408 3.452 20 30 CGEDHN C#CCN(Cc1cc2c(ccnc2Cl)o1)CC1CC1 ZINC001262008031 807804189 /nfs/dbraw/zinc/80/41/89/807804189.db2.gz ZKMFVXPMPJHLJD-UHFFFAOYSA-N 0 3 274.751 3.326 20 30 CGEDHN N#CC[C@@H]1CCCN([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170701616 807877828 /nfs/dbraw/zinc/87/78/28/807877828.db2.gz QWXACDJGJMXXAB-WFASDCNBSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCN1CCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171129186 807993691 /nfs/dbraw/zinc/99/36/91/807993691.db2.gz JWXXTYZJKDYSAO-QGZVFWFLSA-N 0 3 290.838 3.001 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H](C)c1nccs1 ZINC001171185266 808003186 /nfs/dbraw/zinc/00/31/86/808003186.db2.gz PPGNLZSZQSSHCX-NEPJUHHUSA-N 0 3 271.389 3.297 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H](C)c1nccs1 ZINC001171185268 808003275 /nfs/dbraw/zinc/00/32/75/808003275.db2.gz PPGNLZSZQSSHCX-RYUDHWBXSA-N 0 3 271.389 3.297 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171300033 808022978 /nfs/dbraw/zinc/02/29/78/808022978.db2.gz VLBICLQHIOYCHK-RYUDHWBXSA-N 0 3 292.810 3.488 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cc(F)c(F)cc3C2)CCC1 ZINC001171451229 808061481 /nfs/dbraw/zinc/06/14/81/808061481.db2.gz YAAJICCRLSMKIU-CYBMUJFWSA-N 0 3 276.330 3.106 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001265085241 808108707 /nfs/dbraw/zinc/10/87/07/808108707.db2.gz CHLFTTLPNIAXDU-KBPBESRZSA-N 0 3 298.858 3.288 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001265221313 808120442 /nfs/dbraw/zinc/12/04/42/808120442.db2.gz XRQLHSVYLBFIMZ-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC001171847815 808149605 /nfs/dbraw/zinc/14/96/05/808149605.db2.gz UCWYLAFUISFMOY-UKRRQHHQSA-N 0 3 279.424 3.395 20 30 CGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC(CC)CC)C1 ZINC001265708467 808171964 /nfs/dbraw/zinc/17/19/64/808171964.db2.gz OHWXKNVSJRYCTA-WBVHZDCISA-N 0 3 292.467 3.053 20 30 CGEDHN CC1(C)C[C@H](N2CCC(C#N)(c3ccccc3)CC2)CO1 ZINC001172284542 808213464 /nfs/dbraw/zinc/21/34/64/808213464.db2.gz UDQNJIVHFMJJFW-INIZCTEOSA-N 0 3 284.403 3.111 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCC(=O)c1cccc(F)c1 ZINC001172300216 808220829 /nfs/dbraw/zinc/22/08/29/808220829.db2.gz TYONEWDPROVUKV-ZDUSSCGKSA-N 0 3 296.345 3.101 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC001172311767 808223074 /nfs/dbraw/zinc/22/30/74/808223074.db2.gz XQTZNMJLVMVPIK-AWEZNQCLSA-N 0 3 280.371 3.327 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC001172311767 808223075 /nfs/dbraw/zinc/22/30/75/808223075.db2.gz XQTZNMJLVMVPIK-AWEZNQCLSA-N 0 3 280.371 3.327 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2occc2C1 ZINC001172311808 808224232 /nfs/dbraw/zinc/22/42/32/808224232.db2.gz YQQMXJXIGWPCSL-ZDUSSCGKSA-N 0 3 266.344 3.141 20 30 CGEDHN CC[C@H](C)OCC[C@H](C)NCC1(C#N)CCCC1 ZINC001172317851 808226612 /nfs/dbraw/zinc/22/66/12/808226612.db2.gz VNDORLKSPDBBIE-KBPBESRZSA-N 0 3 252.402 3.254 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001266200482 808227237 /nfs/dbraw/zinc/22/72/37/808227237.db2.gz MXCOVDPATIHQLN-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1ccc(CC)c(CC)c1 ZINC001266443410 808265552 /nfs/dbraw/zinc/26/55/52/808265552.db2.gz NXBGLXAJHDJOIS-UHFFFAOYSA-N 0 3 288.435 3.049 20 30 CGEDHN CC[C@H](CC(C)C)NC(=N)c1ccc(Cl)cn1 ZINC001172388597 808279934 /nfs/dbraw/zinc/27/99/34/808279934.db2.gz FYXXAKVJFSODML-LLVKDONJSA-N 0 3 253.777 3.265 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001172491568 808352276 /nfs/dbraw/zinc/35/22/76/808352276.db2.gz FETCWEXZFWBISF-CYBMUJFWSA-N 0 3 293.361 3.169 20 30 CGEDHN C[C@@H](CCCC#N)N1CCc2nn(-c3ccccc3)cc2C1 ZINC001172498506 808355259 /nfs/dbraw/zinc/35/52/59/808355259.db2.gz NRKCNBWFKKAKMJ-HNNXBMFYSA-N 0 3 294.402 3.313 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC001267376787 808423085 /nfs/dbraw/zinc/42/30/85/808423085.db2.gz JGAMNKSOBJGNFC-RCCFBDPRSA-N 0 3 298.430 3.056 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCF)C2)CCCC1 ZINC001267636404 808462933 /nfs/dbraw/zinc/46/29/33/808462933.db2.gz ZMXDGTDEHIOWII-HNNXBMFYSA-N 0 3 296.430 3.063 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)/C=C(\C)CC)CCCC1 ZINC001267838029 808503958 /nfs/dbraw/zinc/50/39/58/808503958.db2.gz QVTWCTJVTAQAOB-FMIVXFBMSA-N 0 3 284.831 3.114 20 30 CGEDHN CCCC[C@H](CC(C)C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001173258289 808564922 /nfs/dbraw/zinc/56/49/22/808564922.db2.gz QJELOHUUNOYGMH-KGLIPLIRSA-N 0 3 272.433 3.101 20 30 CGEDHN C=C[C@@H](C(=O)N[C@H]1CCCN(CC(=C)C)C1)c1ccccc1 ZINC001268236688 808565861 /nfs/dbraw/zinc/56/58/61/808565861.db2.gz MUKUJVDUUCHBKN-ZWKOTPCHSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCC1(C(=O)NC/C=C/CNC/C=C/Cl)CCCC1 ZINC001268631527 808601499 /nfs/dbraw/zinc/60/14/99/808601499.db2.gz BKPHGGVSGMFLAL-LCAICKDSSA-N 0 3 296.842 3.137 20 30 CGEDHN C=CCOC1CCC(N2CCc3ncc(C)cc3C2)CC1 ZINC001173322522 808610998 /nfs/dbraw/zinc/61/09/98/808610998.db2.gz FTCWRNRFFHYNTC-UHFFFAOYSA-N 0 3 286.419 3.262 20 30 CGEDHN Cc1nc2ccc(Nc3ccc(O)cc3C#N)cc2[nH]1 ZINC001213075192 815223355 /nfs/dbraw/zinc/22/33/55/815223355.db2.gz IDPLUTXYFBKOFT-UHFFFAOYSA-N 0 3 264.288 3.192 20 30 CGEDHN Cc1nc2ccc(Nc3ccc(C#N)cc3C#N)cc2[nH]1 ZINC001213077275 815224540 /nfs/dbraw/zinc/22/45/40/815224540.db2.gz PBWMWEGRXTZQQB-UHFFFAOYSA-N 0 3 273.299 3.358 20 30 CGEDHN CC1(C#N)CCC(N2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001173594034 808650231 /nfs/dbraw/zinc/65/02/31/808650231.db2.gz POGLTDQDSFQHTA-GNRIBBGQSA-N 0 3 256.340 3.231 20 30 CGEDHN Cc1nc2c(s1)CN(C1CCC(C)(C#N)CC1)CC2 ZINC001173597699 808650765 /nfs/dbraw/zinc/65/07/65/808650765.db2.gz DZPCXXJAPCCFKZ-UHFFFAOYSA-N 0 3 275.421 3.282 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1CCCC1CCC1 ZINC001269284830 808663432 /nfs/dbraw/zinc/66/34/32/808663432.db2.gz GAXPBJBZIKOOHS-WMZOPIPTSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCCCC(C)C)C1 ZINC001270633650 808741228 /nfs/dbraw/zinc/74/12/28/808741228.db2.gz VUMBGYKJQSCUKQ-QGZVFWFLSA-N 0 3 280.456 3.360 20 30 CGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCCCC ZINC001272045148 808794388 /nfs/dbraw/zinc/79/43/88/808794388.db2.gz UGKOIGMHBJPLBD-SJORKVTESA-N 0 3 290.451 3.045 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)CCCCC(C)(C)C)CC1 ZINC001273417075 808843341 /nfs/dbraw/zinc/84/33/41/808843341.db2.gz DVRJGBIQHIRAKC-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN CC#CCNCCN(CC)C(=O)C[C@H](C)C1CCCCC1 ZINC001273660511 808857982 /nfs/dbraw/zinc/85/79/82/808857982.db2.gz LEKRBJOYGCINNO-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)C1CCCC1 ZINC001275113621 808909404 /nfs/dbraw/zinc/90/94/04/808909404.db2.gz BDELDIYBMPWZGU-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001275131557 808913631 /nfs/dbraw/zinc/91/36/31/808913631.db2.gz UBYPVLYQGUGOCU-HDICACEKSA-N 0 3 294.483 3.284 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001275458227 808937526 /nfs/dbraw/zinc/93/75/26/808937526.db2.gz ABMHDIYOSNMALL-UWVGGRQHSA-N 0 3 293.238 3.000 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NC[C@H](F)CC)CCCC1 ZINC001278035904 809113033 /nfs/dbraw/zinc/11/30/33/809113033.db2.gz VRUGWYNDLXIULA-LSDHHAIUSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1cc(C)cc(F)c1)C(C)C ZINC001278922078 809156289 /nfs/dbraw/zinc/15/62/89/809156289.db2.gz HSRCIJPHSFGBIR-UHFFFAOYSA-N 0 3 292.398 3.103 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@H]1C1CCCC1)C(C)C ZINC001278926623 809156995 /nfs/dbraw/zinc/15/69/95/809156995.db2.gz SLSXRJPWJVIVHI-DLBZAZTESA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CCCC ZINC001279539943 809172979 /nfs/dbraw/zinc/17/29/79/809172979.db2.gz DXZQAWNFQRJGKV-YESZJQIVSA-N 0 3 292.467 3.454 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)CCCC[C@@H](C)CC)CC1 ZINC001280747559 809197625 /nfs/dbraw/zinc/19/76/25/809197625.db2.gz SHEYIQCOTCBANC-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)CCCC[C@H](C)CC)CC1 ZINC001280747562 809197981 /nfs/dbraw/zinc/19/79/81/809197981.db2.gz SHEYIQCOTCBANC-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](C)CC(C)(C)C ZINC001280866223 809203290 /nfs/dbraw/zinc/20/32/90/809203290.db2.gz VRDNYMMQUNRUFW-INIZCTEOSA-N 0 3 294.483 3.252 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(CCCC)CC2)C(C)(C)C1 ZINC001281553146 809214632 /nfs/dbraw/zinc/21/46/32/809214632.db2.gz NRMLIVKKTWIFFM-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(CCC)CCC ZINC001281956351 809225477 /nfs/dbraw/zinc/22/54/77/809225477.db2.gz CLNRUKVSGPQKNV-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(C(=O)OC)c(C)c2)c1 ZINC001178950622 809896290 /nfs/dbraw/zinc/89/62/90/809896290.db2.gz QPJMYRYSBXTGGY-UHFFFAOYSA-N 0 3 293.366 3.053 20 30 CGEDHN CC#CCCCCCCCC(=O)N[C@@]1(C)CCCN(C)C1 ZINC001182772346 810124581 /nfs/dbraw/zinc/12/45/81/810124581.db2.gz VANLVQSVKROIFX-SFHVURJKSA-N 0 3 292.467 3.341 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)CCCC)[C@@H]2C1 ZINC001186966123 810376086 /nfs/dbraw/zinc/37/60/86/810376086.db2.gz PKAPMHZLDNDGOT-YESZJQIVSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)CCC(C)(C)C)[C@@H]2C1 ZINC001189810943 810590490 /nfs/dbraw/zinc/59/04/90/810590490.db2.gz ODJMTMVSUIXNLD-HRCADAONSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001191902062 810755753 /nfs/dbraw/zinc/75/57/53/810755753.db2.gz MAZHCBKJIZQWDB-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193432070 810887807 /nfs/dbraw/zinc/88/78/07/810887807.db2.gz GSDMWCKGKLXFKZ-GJZGRUSLSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCOC(=O)NC[C@@H]1CCCCN1C ZINC001194012545 811001521 /nfs/dbraw/zinc/00/15/21/811001521.db2.gz SOQYBYDOOYPLDR-AWEZNQCLSA-N 0 3 270.417 3.167 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCCN(CC=C(C)C)CC1 ZINC001195982613 811308446 /nfs/dbraw/zinc/30/84/46/811308446.db2.gz ZUKLLCPFEJLJQA-UHFFFAOYSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCCCN1CCCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001196358905 811337291 /nfs/dbraw/zinc/33/72/91/811337291.db2.gz QCYNKMRRGGTXGN-QGZVFWFLSA-N 0 3 298.446 3.405 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCCN(CC/C=C/CCC)CC1 ZINC001196731848 811362135 /nfs/dbraw/zinc/36/21/35/811362135.db2.gz JGBKMIYPWDXHCT-CMDGGOBGSA-N 0 3 292.467 3.479 20 30 CGEDHN CCCCCCCN1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201762767 811962892 /nfs/dbraw/zinc/96/28/92/811962892.db2.gz UFSLEIITLDEKHL-INIZCTEOSA-N 0 3 293.455 3.326 20 30 CGEDHN COc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C ZINC001203898455 812486107 /nfs/dbraw/zinc/48/61/07/812486107.db2.gz AERNGOPYGPALFO-PHZGNYQRSA-N 0 3 270.376 3.270 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cn(C(C)=O)c3ccccc23)C1 ZINC001204409908 812630258 /nfs/dbraw/zinc/63/02/58/812630258.db2.gz JDEDSBKICPPEAO-HNNXBMFYSA-N 0 3 280.371 3.147 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](N[C@@H](CC)CC#N)C1(C)C ZINC001205238902 812915204 /nfs/dbraw/zinc/91/52/04/812915204.db2.gz YVRNCEDLFCHTAX-BFHYXJOUSA-N 0 3 252.402 3.252 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(F)c(C)c2)no1 ZINC001206094875 813199808 /nfs/dbraw/zinc/19/98/08/813199808.db2.gz YRGNXKHYVGIHTB-UHFFFAOYSA-N 0 3 287.338 3.293 20 30 CGEDHN CN1CC=C(Nc2ccc(N3CCCCC3)c(C#N)c2)CC1 ZINC001208856584 813869526 /nfs/dbraw/zinc/86/95/26/813869526.db2.gz GSUDONKSOAAILZ-UHFFFAOYSA-N 0 3 296.418 3.180 20 30 CGEDHN N#Cc1ccccc1O[C@@H]1CCCN(C[C@@H]2CCC=CO2)C1 ZINC001208880848 813879167 /nfs/dbraw/zinc/87/91/67/813879167.db2.gz PSYPQIVYVNFQDO-DLBZAZTESA-N 0 3 298.386 3.094 20 30 CGEDHN Cc1cccc2c1CN(CCc1ccc(C#N)cc1)C2 ZINC001208920227 813899559 /nfs/dbraw/zinc/89/95/59/813899559.db2.gz BZOBPKRWWACAQC-UHFFFAOYSA-N 0 3 262.356 3.425 20 30 CGEDHN CN1CC=C(Nc2ccc(Cl)c(C#N)c2Cl)CC1 ZINC001208980769 813912707 /nfs/dbraw/zinc/91/27/07/813912707.db2.gz WTUWHHFSLSTMNU-UHFFFAOYSA-N 0 3 282.174 3.496 20 30 CGEDHN C=CCCCN(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001209162935 813953541 /nfs/dbraw/zinc/95/35/41/813953541.db2.gz PKCUUXIGGCDMRI-UHFFFAOYSA-N 0 3 280.412 3.036 20 30 CGEDHN C#CCCCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209268737 813990093 /nfs/dbraw/zinc/99/00/93/813990093.db2.gz PNFZIJNEVQYPND-UHFFFAOYSA-N 0 3 270.351 3.096 20 30 CGEDHN CCCCN(CCC#N)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001209388656 814010647 /nfs/dbraw/zinc/01/06/47/814010647.db2.gz NYMRTYANHXXHBC-QDMKHBRRSA-N 0 3 252.402 3.206 20 30 CGEDHN C=CCCCCCCCN1CC(CC(=O)OC)C1 ZINC001209439457 814038767 /nfs/dbraw/zinc/03/87/67/814038767.db2.gz QKBGRWWTXHNPHE-UHFFFAOYSA-N 0 3 253.386 3.008 20 30 CGEDHN C=CCCCCCCCN1CCc2cnn(C)c2C1 ZINC001209442887 814043425 /nfs/dbraw/zinc/04/34/25/814043425.db2.gz ZFLHBVHGKFGQJO-UHFFFAOYSA-N 0 3 261.413 3.305 20 30 CGEDHN C=CCCCCCCCCN1CC[C@@](F)(CO)C1 ZINC001209442317 814043984 /nfs/dbraw/zinc/04/39/84/814043984.db2.gz FMXHGPWWKMSWNF-HNNXBMFYSA-N 0 3 257.393 3.309 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H](NC[C@H](F)CC)C2)CCC1 ZINC001209503226 814067023 /nfs/dbraw/zinc/06/70/23/814067023.db2.gz HKXWEBBMZREZEH-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=CC[C@H](OC[C@@H]1COC(C)(C)N1)c1ccccc1 ZINC001217873896 815984746 /nfs/dbraw/zinc/98/47/46/815984746.db2.gz FEEGWWZJFKKKFJ-CABCVRRESA-N 0 3 261.365 3.045 20 30 CGEDHN CCCCCCCC[C@H](C)OC[C@@H]1CNCCO1 ZINC001217889396 815990513 /nfs/dbraw/zinc/99/05/13/815990513.db2.gz BHXCEIVOMSHXDQ-GJZGRUSLSA-N 0 3 257.418 3.131 20 30 CGEDHN C=C[C@@H](CCCCCC)OC[C@H]1COC(C)(C)N1 ZINC001217896132 815994969 /nfs/dbraw/zinc/99/49/69/815994969.db2.gz OSWUQYLXIHGFIM-KBPBESRZSA-N 0 3 255.402 3.253 20 30 CGEDHN N#Cc1ccc(O[C@H]2CNCc3ccccc32)c(Cl)c1 ZINC001218484554 816239865 /nfs/dbraw/zinc/23/98/65/816239865.db2.gz RMJPNVWAFTUKPK-INIZCTEOSA-N 0 3 284.746 3.435 20 30 CGEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001221223660 816306304 /nfs/dbraw/zinc/30/63/04/816306304.db2.gz FMNXPSKQBVPEPD-HUUCEWRRSA-N 0 3 298.446 3.238 20 30 CGEDHN C=CCn1cc(-c2cccc(CN3CCCC3)c2F)cn1 ZINC001222408835 816437392 /nfs/dbraw/zinc/43/73/92/816437392.db2.gz ASGVZYKGUGPJMB-UHFFFAOYSA-N 0 3 285.366 3.471 20 30 CGEDHN CC#CCN1CCC(CNC(=O)[C@@H](CC)CCCC)CC1 ZINC001222450118 816447003 /nfs/dbraw/zinc/44/70/03/816447003.db2.gz ADNNBYDCXOQYRE-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(CCC)CCC)C[C@@H]21 ZINC001223368489 816616743 /nfs/dbraw/zinc/61/67/43/816616743.db2.gz IGJMFFQQPPLKCV-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCN1CCC(CNC(=O)[C@H](CC)CCCCC)CC1 ZINC001225524330 817084877 /nfs/dbraw/zinc/08/48/77/817084877.db2.gz AEMLRAIFWADPQJ-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001231621963 818137824 /nfs/dbraw/zinc/13/78/24/818137824.db2.gz MYEDKAXPVHDNJS-SJLPKXTDSA-N 0 3 287.403 3.252 20 30 CGEDHN C#Cc1cccc(CN(C)Cc2cccc(OC)c2)c1 ZINC001231659859 818151615 /nfs/dbraw/zinc/15/16/15/818151615.db2.gz VADIVHUQDMVZAT-UHFFFAOYSA-N 0 3 265.356 3.309 20 30 CGEDHN COc1cccc2[nH]cc(CN3CCC[C@@H](CC#N)C3)c21 ZINC001232037465 818236962 /nfs/dbraw/zinc/23/69/62/818236962.db2.gz WUSUXTWIJJWKOK-ZDUSSCGKSA-N 0 3 283.375 3.302 20 30 CGEDHN N#CCC1CCN(Cc2ccnc3c(F)cccc23)CC1 ZINC001232209844 818277306 /nfs/dbraw/zinc/27/73/06/818277306.db2.gz QXBOPGVYYXJUEW-UHFFFAOYSA-N 0 3 283.350 3.500 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2nccc(Cl)c12 ZINC001232459813 818354653 /nfs/dbraw/zinc/35/46/53/818354653.db2.gz KFPVRKMFTYWKGS-UHFFFAOYSA-N 0 3 261.756 3.390 20 30 CGEDHN N#Cc1ccnc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001232479664 818364466 /nfs/dbraw/zinc/36/44/66/818364466.db2.gz VAYDRGLACAUDOU-HNNXBMFYSA-N 0 3 281.334 3.082 20 30 CGEDHN N#Cc1ccnc(CN2CCCC3(CC(F)C3)CC2)c1 ZINC001232480482 818365381 /nfs/dbraw/zinc/36/53/81/818365381.db2.gz YKMMWAXJFCRAQW-UHFFFAOYSA-N 0 3 273.355 3.057 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232822277 818448519 /nfs/dbraw/zinc/44/85/19/818448519.db2.gz LVVQGPNAZUTDQJ-LLVKDONJSA-N 0 3 288.782 3.342 20 30 CGEDHN Cc1ccc(CN2CC[C@H](c3cccnc3)C2)c(C#N)c1 ZINC001232965994 818484644 /nfs/dbraw/zinc/48/46/44/818484644.db2.gz CSMBTXFRTXRYQL-KRWDZBQOSA-N 0 3 277.371 3.251 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(C4CC4)cc3)CCC2S1 ZINC001232982118 818490214 /nfs/dbraw/zinc/49/02/14/818490214.db2.gz PMBAPAWHKOIOSI-MRXNPFEDSA-N 0 3 285.412 3.338 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(C4CC4)cc3)CC[C@H]2S1 ZINC001232982118 818490219 /nfs/dbraw/zinc/49/02/19/818490219.db2.gz PMBAPAWHKOIOSI-MRXNPFEDSA-N 0 3 285.412 3.338 20 30 CGEDHN CCCCCCCN(C)Cc1cc(O)c(O)c(O)c1 ZINC001233011898 818500756 /nfs/dbraw/zinc/50/07/56/818500756.db2.gz HNQUQBYIOZWGNR-UHFFFAOYSA-N 0 3 267.369 3.206 20 30 CGEDHN CC(C)N1CCC(Oc2ccccc2C(=O)CC#N)CC1 ZINC001233525330 818633936 /nfs/dbraw/zinc/63/39/36/818633936.db2.gz UPKMRAZWTJEXQX-UHFFFAOYSA-N 0 3 286.375 3.035 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233531451 818634930 /nfs/dbraw/zinc/63/49/30/818634930.db2.gz ZFVBWYLMBZGAEQ-RDJZCZTQSA-N 0 3 292.467 3.312 20 30 CGEDHN CC(C)CCCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206384 818801158 /nfs/dbraw/zinc/80/11/58/818801158.db2.gz PCKITLZQIZADAY-MRXNPFEDSA-N 0 3 292.467 3.005 20 30 CGEDHN CN1CCc2c(cccc2O[C@@H](C#N)c2cccc(F)c2)C1 ZINC001234425061 818853735 /nfs/dbraw/zinc/85/37/35/818853735.db2.gz UWBNUEDYMBJZFT-SFHVURJKSA-N 0 3 296.345 3.457 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001234624380 818895217 /nfs/dbraw/zinc/89/52/17/818895217.db2.gz BTLPMLZUWXEWDX-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN N#CCc1ccccc1CN1CCC[C@H]1c1ccccn1 ZINC001235522232 819114825 /nfs/dbraw/zinc/11/48/25/819114825.db2.gz BAARXRMLZYQWDR-SFHVURJKSA-N 0 3 277.371 3.485 20 30 CGEDHN N#CC1CCN(Cc2ccccc2-c2ccncc2)CC1 ZINC001235612771 819126567 /nfs/dbraw/zinc/12/65/67/819126567.db2.gz QHWYSJBKXXGLKB-UHFFFAOYSA-N 0 3 277.371 3.484 20 30 CGEDHN Cc1ccc(CN2CCN[C@@H](c3ccccc3)C2)cc1C#N ZINC001235855145 819186666 /nfs/dbraw/zinc/18/66/66/819186666.db2.gz SKRQGQORIRKFHW-LJQANCHMSA-N 0 3 291.398 3.013 20 30 CGEDHN COc1ccc(C#N)cc1-c1ccc2c(N)ccnc2c1 ZINC001236546808 819532288 /nfs/dbraw/zinc/53/22/88/819532288.db2.gz MNEQXZOXQOMAHD-UHFFFAOYSA-N 0 3 275.311 3.364 20 30 CGEDHN C#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833150 819611743 /nfs/dbraw/zinc/61/17/43/819611743.db2.gz ORVWDORCOUQMOD-AWEZNQCLSA-N 0 3 265.356 3.391 20 30 CGEDHN C#C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833150 819611745 /nfs/dbraw/zinc/61/17/45/819611745.db2.gz ORVWDORCOUQMOD-AWEZNQCLSA-N 0 3 265.356 3.391 20 30 CGEDHN C#CC1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237114335 819671530 /nfs/dbraw/zinc/67/15/30/819671530.db2.gz JUZHMFSYBPJCIT-UHFFFAOYSA-N 0 3 299.292 3.136 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237139109 819676119 /nfs/dbraw/zinc/67/61/19/819676119.db2.gz CUBZFGIBTHCYTH-LLVKDONJSA-N 0 3 283.293 3.256 20 30 CGEDHN C#C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237139109 819676121 /nfs/dbraw/zinc/67/61/21/819676121.db2.gz CUBZFGIBTHCYTH-LLVKDONJSA-N 0 3 283.293 3.256 20 30 CGEDHN C#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237139109 819676125 /nfs/dbraw/zinc/67/61/25/819676125.db2.gz CUBZFGIBTHCYTH-LLVKDONJSA-N 0 3 283.293 3.256 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(C(F)F)c(OC)c2)C1 ZINC001237279045 819715371 /nfs/dbraw/zinc/71/53/71/819715371.db2.gz FVZGNGXGXFBQBB-LBPRGKRZSA-N 0 3 279.330 3.478 20 30 CGEDHN CCC(CC)N(C)Cc1cc(C#N)c(F)cc1F ZINC001237530013 819772686 /nfs/dbraw/zinc/77/26/86/819772686.db2.gz LKFOSRXHSSWIAF-UHFFFAOYSA-N 0 3 252.308 3.457 20 30 CGEDHN CN(Cc1cc(C#N)c(F)cc1F)CC1CCCC1 ZINC001237531306 819774293 /nfs/dbraw/zinc/77/42/93/819774293.db2.gz ZEHYKSWEWIKUJR-UHFFFAOYSA-N 0 3 264.319 3.458 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN(C)CCC#N)cc21 ZINC001237880941 819869317 /nfs/dbraw/zinc/86/93/17/819869317.db2.gz KJCWZWNFIWWHTJ-UHFFFAOYSA-N 0 3 269.392 3.033 20 30 CGEDHN CCc1cc(CN2CCC(SC)CC2)ccc1C#N ZINC001238779039 820116350 /nfs/dbraw/zinc/11/63/50/820116350.db2.gz STOXAHCWNITGCI-UHFFFAOYSA-N 0 3 274.433 3.448 20 30 CGEDHN N#Cc1cc(C(F)(F)F)ccc1-c1ccnc(CN)c1 ZINC001238845543 820132582 /nfs/dbraw/zinc/13/25/82/820132582.db2.gz ORCMRIZFNQUENK-UHFFFAOYSA-N 0 3 277.249 3.098 20 30 CGEDHN CCCCCCCNC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001239183648 820225018 /nfs/dbraw/zinc/22/50/18/820225018.db2.gz CAWCNKLBZZNUNI-GFCCVEGCSA-N 0 3 294.399 3.191 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1CCN[C@H](C(C)C)C1 ZINC001239283978 820252331 /nfs/dbraw/zinc/25/23/31/820252331.db2.gz UZPBNSOPQOZGOI-HOTGVXAUSA-N 0 3 297.487 3.375 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1cc(F)cc(C#N)c1 ZINC001241660099 822036509 /nfs/dbraw/zinc/03/65/09/822036509.db2.gz GVWPKJLGFSAXCR-GQCTYLIASA-N 0 3 267.307 3.292 20 30 CGEDHN CN(C)Cc1c[nH]c2ncc(C3=CC(=O)CC(C)(C)C3)cc12 ZINC001242317275 822950158 /nfs/dbraw/zinc/95/01/58/822950158.db2.gz AFTCRJZZSMDGFT-UHFFFAOYSA-N 0 3 297.402 3.397 20 30 CGEDHN C(=NNC1CCCC1)c1ccccc1N1CCCC1 ZINC001338412191 936322928 /nfs/dbraw/zinc/32/29/28/936322928.db2.gz OVGXLTNIUDFKAK-UHFFFAOYSA-N 0 3 257.381 3.153 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC001339933885 936391437 /nfs/dbraw/zinc/39/14/37/936391437.db2.gz GMEHVIPMUUOSBQ-DLBZAZTESA-N 0 3 286.419 3.246 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1ncc(C)s1 ZINC001340103652 936397993 /nfs/dbraw/zinc/39/79/93/936397993.db2.gz BJBYFAOUWZITAS-CYBMUJFWSA-N 0 3 297.468 3.146 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1OCC1CC1 ZINC001340092506 936397345 /nfs/dbraw/zinc/39/73/45/936397345.db2.gz BUEYDYLAFVHEBW-CQSZACIVSA-N 0 3 288.391 3.098 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC001340384312 936403769 /nfs/dbraw/zinc/40/37/69/936403769.db2.gz SJVKWHHRZJFIOI-CQSZACIVSA-N 0 3 298.789 3.121 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC001340607517 936408966 /nfs/dbraw/zinc/40/89/66/936408966.db2.gz YBPNJWHBSCJCNF-WFASDCNBSA-N 0 3 294.826 3.071 20 30 CGEDHN C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@@H](N)CCCC#N)c21 ZINC001341004939 936423924 /nfs/dbraw/zinc/42/39/24/936423924.db2.gz MAUCWSYSVKQXSV-OCCSQVGLSA-N 0 3 299.418 3.431 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001341463278 936438901 /nfs/dbraw/zinc/43/89/01/936438901.db2.gz MQWPNYZPJQTVTE-LSDHHAIUSA-N 0 3 292.810 3.127 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cnccc1C ZINC001341570191 936442538 /nfs/dbraw/zinc/44/25/38/936442538.db2.gz DKQWMYARORWNPZ-CQSZACIVSA-N 0 3 277.412 3.406 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccccc3)nc21 ZINC001341887336 936454190 /nfs/dbraw/zinc/45/41/90/936454190.db2.gz XPGZUIXOEZZTJD-AWEZNQCLSA-N 0 3 289.338 3.290 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2ncc(Cl)n2C)c(C)s1 ZINC001344322498 936529565 /nfs/dbraw/zinc/52/95/65/936529565.db2.gz QOWFSVFPYYFGTN-SNVBAGLBSA-N 0 3 293.779 3.242 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(C)CCC(C)CC1 ZINC001344322330 936529605 /nfs/dbraw/zinc/52/96/05/936529605.db2.gz MHBLKXMPTOYCBF-MFOWVQHXSA-N 0 3 273.380 3.296 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC001344438077 936534330 /nfs/dbraw/zinc/53/43/30/936534330.db2.gz DNPCBNLIWGQDHB-WBVHZDCISA-N 0 3 270.376 3.116 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)Cc1c(C)cc(C)cc1C ZINC001344864379 936546732 /nfs/dbraw/zinc/54/67/32/936546732.db2.gz QJUYVZWPOBROBA-MRXNPFEDSA-N 0 3 295.386 3.247 20 30 CGEDHN C=C[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC001346938262 936865742 /nfs/dbraw/zinc/86/57/42/936865742.db2.gz MQFJDLQYKAWXAJ-JQWIXIFHSA-N 0 3 269.772 3.206 20 30 CGEDHN C[C@H](NCCCCC1(C#N)CCC1)c1nnc2ccccn21 ZINC001351283989 937013431 /nfs/dbraw/zinc/01/34/31/937013431.db2.gz OZBPTZKCZAOTEK-AWEZNQCLSA-N 0 3 297.406 3.244 20 30 CGEDHN C=CCN1CCC(Nc2cc3c(F)cccc3cn2)CC1 ZINC001351974612 937030233 /nfs/dbraw/zinc/03/02/33/937030233.db2.gz AXWLRZODEHNRBN-UHFFFAOYSA-N 0 3 285.366 3.436 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001480899435 926761026 /nfs/dbraw/zinc/76/10/26/926761026.db2.gz MRYXNKPDRZZFFO-ZDUSSCGKSA-N 0 3 292.398 3.147 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCc1ccc(CNCC#CC)cc1 ZINC001482033261 927134227 /nfs/dbraw/zinc/13/42/27/927134227.db2.gz UEROVPSWSJQLER-MRXNPFEDSA-N 0 3 298.430 3.018 20 30 CGEDHN C/C=C(\C)C(=O)NC[C@H]1CCN1CCCCCCC ZINC001483641709 927558381 /nfs/dbraw/zinc/55/83/81/927558381.db2.gz PJWQZQOBBZCWTL-ZXZGFYSFSA-N 0 3 266.429 3.114 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(C)CCCCC1 ZINC001483676091 927566772 /nfs/dbraw/zinc/56/67/72/927566772.db2.gz HWVRFCDKEGFJQJ-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCCC(C)C)C1 ZINC001484065923 927669746 /nfs/dbraw/zinc/66/97/46/927669746.db2.gz QDMFIVNERHXGBI-KRWDZBQOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](CC)CCCCC)C1 ZINC001484070081 927670296 /nfs/dbraw/zinc/67/02/96/927670296.db2.gz BRHKHSNBLDFMFV-RDJZCZTQSA-N 0 3 280.456 3.360 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C=C2CCC2)cc1 ZINC001484561434 927722186 /nfs/dbraw/zinc/72/21/86/927722186.db2.gz ZATURAUDVDGDCV-HNNXBMFYSA-N 0 3 296.414 3.087 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001484721249 927745353 /nfs/dbraw/zinc/74/53/53/927745353.db2.gz DUJBHKKKGRJPDE-LBIZBFCRSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1cccc(C)c1F)C(C)C ZINC001486370653 928011679 /nfs/dbraw/zinc/01/16/79/928011679.db2.gz ZDQZNYSINCIDKM-UHFFFAOYSA-N 0 3 292.398 3.103 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2c(O)cccc2C1 ZINC001171204589 928200433 /nfs/dbraw/zinc/20/04/33/928200433.db2.gz ZIWNSMKDKPMUPQ-CQSZACIVSA-N 0 3 292.382 3.253 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1 ZINC001490758559 928387335 /nfs/dbraw/zinc/38/73/35/928387335.db2.gz JJBXQWQWBCALKA-FUVBFXSKSA-N 0 3 298.858 3.266 20 30 CGEDHN C=CCC[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001439848470 937322047 /nfs/dbraw/zinc/32/20/47/937322047.db2.gz SJYUYTVSTPBDQP-PBHICJAKSA-N 0 3 296.430 3.156 20 30 CGEDHN CCCCCCC[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001441959119 937340217 /nfs/dbraw/zinc/34/02/17/937340217.db2.gz OPOOBTYKBXIZCQ-HZPDHXFCSA-N 0 3 282.472 3.441 20 30 CGEDHN C=C(CC(C)C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001442072630 937340462 /nfs/dbraw/zinc/34/04/62/937340462.db2.gz RXOOVTRGKHBKIN-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN N#CCC1(CN2CCC(Oc3ccccc3)CC2)CC1 ZINC001459354676 937485986 /nfs/dbraw/zinc/48/59/86/937485986.db2.gz GGHWMQXGEHWQME-UHFFFAOYSA-N 0 3 270.376 3.224 20 30 CGEDHN CC[C@@H](c1ccccc1)N1CCN(CCCCC#N)CC1 ZINC001459592384 937492580 /nfs/dbraw/zinc/49/25/80/937492580.db2.gz ZGMKRIXDCUOADV-SFHVURJKSA-N 0 3 285.435 3.449 20 30 CGEDHN COC[C@@H](CN(CCC#N)CCC(C)C)C(C)C ZINC001459610269 937493280 /nfs/dbraw/zinc/49/32/80/937493280.db2.gz PKFZHCZRNDXBDN-OAHLLOKOSA-N 0 3 254.418 3.167 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001459815158 937501517 /nfs/dbraw/zinc/50/15/17/937501517.db2.gz BJNLMCAOOIMPPU-INIZCTEOSA-N 0 3 289.495 3.009 20 30 CGEDHN C=CCN(CCOC)CCc1ccccc1Br ZINC001460045591 937512847 /nfs/dbraw/zinc/51/28/47/937512847.db2.gz HDTIWVBCVLFZJY-UHFFFAOYSA-N 0 3 298.224 3.126 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(C)c(Cl)n2)C1 ZINC001460522148 937534047 /nfs/dbraw/zinc/53/40/47/937534047.db2.gz MNXKRVHXYIQHLY-GFCCVEGCSA-N 0 3 250.773 3.441 20 30 CGEDHN C=C(Br)CN1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001460858349 937549331 /nfs/dbraw/zinc/54/93/31/937549331.db2.gz JHWBJOCBANGMFZ-QNWHQSFQSA-N 0 3 268.198 3.039 20 30 CGEDHN CC(C)N1CCN(Cc2cc(C#N)ccc2Cl)C[C@@H]1C ZINC001140603656 931959401 /nfs/dbraw/zinc/95/94/01/931959401.db2.gz XJESCOAQYZBSHS-ZDUSSCGKSA-N 0 3 291.826 3.126 20 30 CGEDHN C#CCN(CCOCC1CC1)[C@H]1CCCc2ccccc21 ZINC001460823483 937547457 /nfs/dbraw/zinc/54/74/57/937547457.db2.gz BUCRGLAPKFOIRM-IBGZPJMESA-N 0 3 283.415 3.426 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001330073054 932033904 /nfs/dbraw/zinc/03/39/04/932033904.db2.gz YVSOCZYZOGMQFV-GJZGRUSLSA-N 0 3 280.456 3.071 20 30 CGEDHN C#C[C@H](CCCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302097 932129173 /nfs/dbraw/zinc/12/91/73/932129173.db2.gz FXIQAUDHKVYKNZ-MRXNPFEDSA-N 0 3 287.403 3.392 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001229583476 932175959 /nfs/dbraw/zinc/17/59/59/932175959.db2.gz LQMNZEPDRWUKFU-KGLIPLIRSA-N 0 3 280.456 3.071 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCCc2c(cccc2OC)C1 ZINC001461814531 937598764 /nfs/dbraw/zinc/59/87/64/937598764.db2.gz BYSYCOWXPHNOFC-GJZGRUSLSA-N 0 3 272.392 3.224 20 30 CGEDHN N#Cc1cccc(OC(C(=O)c2ccco2)c2ccco2)n1 ZINC001230044032 932528895 /nfs/dbraw/zinc/52/88/95/932528895.db2.gz UYMPJHOJCPSUHU-INIZCTEOSA-N 0 3 294.266 3.142 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230608788 932596327 /nfs/dbraw/zinc/59/63/27/932596327.db2.gz SHPJLHLACNZYFA-CQSZACIVSA-N 0 3 284.419 3.014 20 30 CGEDHN C#C[C@H](N[C@@H](C)Cc1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC001462125323 937619335 /nfs/dbraw/zinc/61/93/35/937619335.db2.gz NFAQSBJNSABXSZ-UVBJJODRSA-N 0 3 295.785 3.181 20 30 CGEDHN CN(C)Cc1ccccc1CC(=O)c1cccc(C#N)c1 ZINC001250287175 932719202 /nfs/dbraw/zinc/71/92/02/932719202.db2.gz XTWRQTQUJSOMLY-UHFFFAOYSA-N 0 3 278.355 3.045 20 30 CGEDHN C#CCN(C/C=C/c1ccc(F)cc1F)CC1CC1 ZINC001254737471 932726281 /nfs/dbraw/zinc/72/62/81/932726281.db2.gz UQTCONJLUIZRFI-ONEGZZNKSA-N 0 3 261.315 3.323 20 30 CGEDHN COc1ccccc1C[C@H](C)NCc1cccc(F)c1C#N ZINC001462171157 937622935 /nfs/dbraw/zinc/62/29/35/937622935.db2.gz RCPZGXRTLCXJSS-ZDUSSCGKSA-N 0 3 298.361 3.427 20 30 CGEDHN C=CCCCCN1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001307791314 932999819 /nfs/dbraw/zinc/99/98/19/932999819.db2.gz FTTRRFJFOYANMQ-NRXISQOPSA-N 0 3 265.397 3.149 20 30 CGEDHN C=C(CNCc1cc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC001308249106 933079808 /nfs/dbraw/zinc/07/98/08/933079808.db2.gz YJHXWMKOGCZGNQ-UHFFFAOYSA-N 0 3 290.370 3.275 20 30 CGEDHN C[C@@H](Cc1ccsc1)N(C)Cc1cccc(C#N)n1 ZINC001308595371 933139887 /nfs/dbraw/zinc/13/98/87/933139887.db2.gz RUTSXSKCCOTQIR-LBPRGKRZSA-N 0 3 271.389 3.078 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H](C)C(C)C)CC1 ZINC001317007314 933511989 /nfs/dbraw/zinc/51/19/89/933511989.db2.gz XZKBOOYIQVKHLH-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC=C ZINC001317049046 933520604 /nfs/dbraw/zinc/52/06/04/933520604.db2.gz PBEQGGFPSXDEPU-IYBDPMFKSA-N 0 3 290.451 3.230 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC1CC1 ZINC001317050593 933521164 /nfs/dbraw/zinc/52/11/64/933521164.db2.gz JOYNZGSFUFUTDG-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001317046116 933521925 /nfs/dbraw/zinc/52/19/25/933521925.db2.gz UYLMZSNASRYJMY-LVQVYYBASA-N 0 3 290.451 3.062 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001317171318 933544368 /nfs/dbraw/zinc/54/43/68/933544368.db2.gz ADZGUSGAUKNAPX-IAGOWNOFSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1CC(=C)C ZINC001317178331 933548233 /nfs/dbraw/zinc/54/82/33/933548233.db2.gz LNJNPUIGGTWQOT-RDJZCZTQSA-N 0 3 278.440 3.136 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCCC[C@H](C)CC)C1 ZINC001318407656 933720648 /nfs/dbraw/zinc/72/06/48/933720648.db2.gz SCYXBDCFYZFSRT-IAGOWNOFSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCc1ccc(CNCC#CC)cc1 ZINC001318999766 933807890 /nfs/dbraw/zinc/80/78/90/933807890.db2.gz BAGRTIMPYWIXNQ-LJQANCHMSA-N 0 3 298.430 3.018 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)[C@H](C)c1cccc(C)c1 ZINC001319982012 933971562 /nfs/dbraw/zinc/97/15/62/933971562.db2.gz XNHUNGTYHVPYLH-MRXNPFEDSA-N 0 3 288.435 3.412 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C(C)(C)C1CCCCC1 ZINC001320060464 933990937 /nfs/dbraw/zinc/99/09/37/933990937.db2.gz YHJDMWNIMOSDOQ-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CCc2ccc(Br)cc21 ZINC001321225746 934165225 /nfs/dbraw/zinc/16/52/25/934165225.db2.gz PXXXYZJLIXWKMT-OCCSQVGLSA-N 0 3 296.208 3.227 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC001321242132 934167827 /nfs/dbraw/zinc/16/78/27/934167827.db2.gz UQKCLVRIJNMUHB-PWSUYJOCSA-N 0 3 289.297 3.437 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1cc2c(s1)CCCC2 ZINC001321242966 934168516 /nfs/dbraw/zinc/16/85/16/934168516.db2.gz ZTJBPOPPLFTLKU-AAEUAGOBSA-N 0 3 265.422 3.479 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)CN[C@@H](C)c1ccccc1F ZINC001321628811 934198927 /nfs/dbraw/zinc/19/89/27/934198927.db2.gz XLRUGPZZJBYIBG-KGLIPLIRSA-N 0 3 292.398 3.337 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001322402986 934294298 /nfs/dbraw/zinc/29/42/98/934294298.db2.gz ATSYZNFNIZSDBP-UHFFFAOYSA-N 0 3 267.376 3.261 20 30 CGEDHN COc1ccc(C[C@@H](C)N(C)Cc2ccc(C#N)o2)cc1 ZINC001323302061 934382168 /nfs/dbraw/zinc/38/21/68/934382168.db2.gz AQMSTWDBWCZJGB-CYBMUJFWSA-N 0 3 284.359 3.223 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cccn2CCC(C)C)C1 ZINC001323786631 934425120 /nfs/dbraw/zinc/42/51/20/934425120.db2.gz XJZQWXGVXZVANK-QGZVFWFLSA-N 0 3 276.424 3.311 20 30 CGEDHN C#CC[N@@H+](Cc1c([O-])ccc2ccccc21)CC1CC1 ZINC001324380640 934497040 /nfs/dbraw/zinc/49/70/40/934497040.db2.gz BEUFLQHOEWIHEL-UHFFFAOYSA-N 0 3 265.356 3.391 20 30 CGEDHN C#CC[N@H+](Cc1c([O-])ccc2ccccc21)CC1CC1 ZINC001324380640 934497041 /nfs/dbraw/zinc/49/70/41/934497041.db2.gz BEUFLQHOEWIHEL-UHFFFAOYSA-N 0 3 265.356 3.391 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1coc(C)c1 ZINC001326449017 934981134 /nfs/dbraw/zinc/98/11/34/934981134.db2.gz DQPNKBJTKGVLAE-UHFFFAOYSA-N 0 3 298.386 3.136 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)CCCCCC(C)C)C[C@@H]1C ZINC001328279508 935127936 /nfs/dbraw/zinc/12/79/36/935127936.db2.gz OQZQZWDFIKNLFG-DLBZAZTESA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(C2CC2)CC1 ZINC001329303694 935203051 /nfs/dbraw/zinc/20/30/51/935203051.db2.gz PIZDKTFCWBKUOM-UHFFFAOYSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCC[C@H](NCc1cccnc1OCC)[C@H]1CCCO1 ZINC001330830517 935327570 /nfs/dbraw/zinc/32/75/70/935327570.db2.gz PLYVRSLDKLBCMP-JKSUJKDBSA-N 0 3 290.407 3.084 20 30 CGEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001332724660 935485355 /nfs/dbraw/zinc/48/53/55/935485355.db2.gz UMRVOFRDVUISPM-DLBZAZTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)C1CCN(C[C@H](F)CC)CC1 ZINC001332999655 935503038 /nfs/dbraw/zinc/50/30/38/935503038.db2.gz WLMNESYSLXEWQI-GOEBONIOSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001333749304 936063209 /nfs/dbraw/zinc/06/32/09/936063209.db2.gz HOLJAHHRQACEGW-BYCMXARLSA-N 0 3 292.810 3.066 20 30 CGEDHN C=CCC[C@H](NCc1[nH]nc2c1COCC2)c1ccccc1 ZINC001335614751 936155477 /nfs/dbraw/zinc/15/54/77/936155477.db2.gz ZJTKOBQYGYKKJP-INIZCTEOSA-N 0 3 297.402 3.280 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(OCCC(C)C)cc1 ZINC001338093492 936305802 /nfs/dbraw/zinc/30/58/02/936305802.db2.gz ISQJVERBBWBMOH-INIZCTEOSA-N 0 3 277.408 3.402 20 30 CGEDHN C=C(Br)CN1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001473840549 937824311 /nfs/dbraw/zinc/82/43/11/937824311.db2.gz ASKHILQEKCMFOP-QNWHQSFQSA-N 0 3 270.214 3.263 20 30 CGEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(OC)cc1 ZINC001473857453 937825354 /nfs/dbraw/zinc/82/53/54/937825354.db2.gz SKGODOBAPFWYLI-HNNXBMFYSA-N 0 3 288.391 3.064 20 30 CGEDHN CC(C)CCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC001474381933 937855990 /nfs/dbraw/zinc/85/59/90/937855990.db2.gz WSZJJAOJCRMBLD-UHFFFAOYSA-N 0 3 289.398 3.256 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CCC)CC(C)C ZINC001494685461 937955720 /nfs/dbraw/zinc/95/57/20/937955720.db2.gz MTKBSGYFYICBLH-ULQDDVLXSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001495349913 937958891 /nfs/dbraw/zinc/95/88/91/937958891.db2.gz ZXWNGLGLCFCZON-CQSZACIVSA-N 0 3 296.842 3.068 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001496386527 937962377 /nfs/dbraw/zinc/96/23/77/937962377.db2.gz BAQMMRWALGWYMS-OAHLLOKOSA-N 0 3 298.858 3.290 20 30 CGEDHN CC#CCN1CCC(C)(NC(=O)CCCCC(C)C)CC1 ZINC001500003568 937975556 /nfs/dbraw/zinc/97/55/56/937975556.db2.gz VHLSFCMYOCJANR-UHFFFAOYSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)c2cccs2)C1 ZINC001500258538 937976624 /nfs/dbraw/zinc/97/66/24/937976624.db2.gz UPJOHRQEBXPFOE-CZUORRHYSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@@H](CC)C(C)C)[C@@H]2C1 ZINC001501427599 937979524 /nfs/dbraw/zinc/97/95/24/937979524.db2.gz UJJXNXNBRQFEHH-IXDOHACOSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001505529717 937985971 /nfs/dbraw/zinc/98/59/71/937985971.db2.gz NFBPGGYULKFDGN-DNOWBOINSA-N 0 3 298.858 3.050 20 30 CGEDHN CCCC[C@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001520449450 938025708 /nfs/dbraw/zinc/02/57/08/938025708.db2.gz PVLWHNVPDXFGRS-ONGXEEELSA-N 0 3 266.291 3.362 20 30 CGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)c1ncc(F)cc1F ZINC001520447862 938025830 /nfs/dbraw/zinc/02/58/30/938025830.db2.gz CIAGSVTUKBOAMF-APPZFPTMSA-N 0 3 288.244 3.217 20 30 CGEDHN CN(C)[C@@H](CNc1cc(F)ccc1C#N)c1cccs1 ZINC001559049077 938219529 /nfs/dbraw/zinc/21/95/29/938219529.db2.gz MLIFWVJMAASJSB-AWEZNQCLSA-N 0 3 289.379 3.474 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001559688772 938232812 /nfs/dbraw/zinc/23/28/12/938232812.db2.gz CSKLXQNVFCAVHI-DLBZAZTESA-N 0 3 275.392 3.268 20 30 CGEDHN C#CCCN(Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC001560071785 938243248 /nfs/dbraw/zinc/24/32/48/938243248.db2.gz OQXDZQUZNQXFKY-IBGZPJMESA-N 0 3 279.383 3.246 20 30 CGEDHN C=CCC[C@@H](CO)NCc1nc2ccccc2n1C(C)C ZINC001560471498 938259605 /nfs/dbraw/zinc/25/96/05/938259605.db2.gz QJQAGCWORBASJD-AWEZNQCLSA-N 0 3 287.407 3.034 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@]1(C)CCCCO1 ZINC001560821809 938278135 /nfs/dbraw/zinc/27/81/35/938278135.db2.gz BZOUYJPIEOXVNQ-KRWDZBQOSA-N 0 3 257.377 3.081 20 30 CGEDHN Cc1ccc(CNCc2ccc(N(C)C)cc2)cc1C#N ZINC000922761424 957838651 /nfs/dbraw/zinc/83/86/51/957838651.db2.gz HMIKFRLHYMDAAD-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001490798925 957900718 /nfs/dbraw/zinc/90/07/18/957900718.db2.gz NWJFSAMPMYPUPQ-TWMKSMIVSA-N 0 3 292.467 3.308 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](CC)CCCC)C1 ZINC001569630357 960453768 /nfs/dbraw/zinc/45/37/68/960453768.db2.gz YBQDUVBWAPNOER-RDJZCZTQSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001565822562 960838895 /nfs/dbraw/zinc/83/88/95/960838895.db2.gz IMDPDWQNRNMKPG-CDNLZTBQSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@@H](NCC(=C)Cl)C1 ZINC001565907294 960857921 /nfs/dbraw/zinc/85/79/21/960857921.db2.gz BTKBXJVVQVVCJU-LZWOXQAQSA-N 0 3 298.858 3.216 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001566671833 960977336 /nfs/dbraw/zinc/97/73/36/960977336.db2.gz BXANAAWUNKAIGR-OPUMOTSWSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCCC(=O)NCCN(CC)Cc1ccc(F)cc1C ZINC001567327524 961280517 /nfs/dbraw/zinc/28/05/17/961280517.db2.gz RADDOLLGQOXKOK-UHFFFAOYSA-N 0 3 292.398 3.038 20 30 CGEDHN C=CCN(CC)CCNC(=O)C1(CC=C)CCCCC1 ZINC001567354379 961290754 /nfs/dbraw/zinc/29/07/54/961290754.db2.gz ZXFQMIJZCJRBTR-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCC(C)(C)C(=O)N(C)CCNCc1csc(C)c1 ZINC001567566411 961363971 /nfs/dbraw/zinc/36/39/71/961363971.db2.gz PGCLWCSJFHPIJC-UHFFFAOYSA-N 0 3 294.464 3.207 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H]1CC12CCC2)c1ccccc1 ZINC001567664779 961393997 /nfs/dbraw/zinc/39/39/97/961393997.db2.gz VNRCDRLRFDXXPX-IRXDYDNUSA-N 0 3 298.430 3.200 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H](CNC[C@@H](F)CC)CC(C)C)C1 ZINC001568335403 961552912 /nfs/dbraw/zinc/55/29/12/961552912.db2.gz GFZAYBKLPBZXEU-GJZGRUSLSA-N 0 3 298.446 3.211 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001568491353 961598848 /nfs/dbraw/zinc/59/88/48/961598848.db2.gz JHIDXNIYZXYONC-UHFFFAOYSA-N 0 3 299.418 3.056 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)CC1(C=C)CCCCC1 ZINC001568498986 961600910 /nfs/dbraw/zinc/60/09/10/961600910.db2.gz XPWKQCYKNHVMBI-UHFFFAOYSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(Cl)c(F)c1 ZINC001568551643 961613753 /nfs/dbraw/zinc/61/37/53/961613753.db2.gz NBQOVXJLTJZWIK-UHFFFAOYSA-N 0 3 298.789 3.059 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1csc2ccccc21 ZINC001569131103 961703126 /nfs/dbraw/zinc/70/31/26/961703126.db2.gz JHJMVWLQUWWAGI-LBPRGKRZSA-N 0 3 288.416 3.137 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001569206442 961716561 /nfs/dbraw/zinc/71/65/61/961716561.db2.gz ZSAPKBQAJREZHB-HNNXBMFYSA-N 0 3 298.858 3.314 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)CCCCC(C)C)C[C@H]1C ZINC001570444041 961966498 /nfs/dbraw/zinc/96/64/98/961966498.db2.gz AXGVQPFGVUDRSO-SJORKVTESA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccoc1C(C)C ZINC001570549321 961999060 /nfs/dbraw/zinc/99/90/60/961999060.db2.gz WRTBYJCUYRQPJE-AWEZNQCLSA-N 0 3 290.407 3.125 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)C(C)(C)CC(C)(C)C ZINC001570751058 962071650 /nfs/dbraw/zinc/07/16/50/962071650.db2.gz BENGZFIEYXXZIW-ZDUSSCGKSA-N 0 3 268.445 3.071 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001570740548 962077622 /nfs/dbraw/zinc/07/76/22/962077622.db2.gz QXKAHTWGLQZUNW-VBQJREDUSA-N 0 3 280.456 3.071 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@H]1C ZINC001571525674 962180038 /nfs/dbraw/zinc/18/00/38/962180038.db2.gz VQIYWUMNRFBYKK-HZPDHXFCSA-N 0 3 292.467 3.051 20 30 CGEDHN C#CCCN(C)CCN(C(=O)C[C@@H]1CC[C@H](C)C1)C(C)C ZINC001571614015 962185504 /nfs/dbraw/zinc/18/55/04/962185504.db2.gz RJRIUNNZHZXJAH-DLBZAZTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCC[C@H]1CCC[N@H+]1Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001573335027 962253034 /nfs/dbraw/zinc/25/30/34/962253034.db2.gz VGAYLPDRQGNYIP-HNNXBMFYSA-N 0 3 297.406 3.106 20 30 CGEDHN C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001573335027 962253050 /nfs/dbraw/zinc/25/30/50/962253050.db2.gz VGAYLPDRQGNYIP-HNNXBMFYSA-N 0 3 297.406 3.106 20 30 CGEDHN C=CCC[C@H]1CCC[N@H+]1Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573335027 962253064 /nfs/dbraw/zinc/25/30/64/962253064.db2.gz VGAYLPDRQGNYIP-HNNXBMFYSA-N 0 3 297.406 3.106 20 30 CGEDHN C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573335027 962253084 /nfs/dbraw/zinc/25/30/84/962253084.db2.gz VGAYLPDRQGNYIP-HNNXBMFYSA-N 0 3 297.406 3.106 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)C/C(C)=C\c1ccccc1 ZINC001574901224 962326978 /nfs/dbraw/zinc/32/69/78/962326978.db2.gz CPRLVTVTSDUXJY-AKMXKPQHSA-N 0 3 286.419 3.232 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc(C(C)C)cc1 ZINC001574908736 962331920 /nfs/dbraw/zinc/33/19/20/962331920.db2.gz WXISSOJVROILKD-QGZVFWFLSA-N 0 3 288.435 3.152 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CCC)Cc1ccccc1 ZINC001574901469 962333385 /nfs/dbraw/zinc/33/33/85/962333385.db2.gz IUUIESPDYRPIFR-MRXNPFEDSA-N 0 3 274.408 3.109 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](OC)C[C@@H]1C ZINC001577426800 962549331 /nfs/dbraw/zinc/54/93/31/962549331.db2.gz WXRWERDULGWNTI-XHSDSOJGSA-N 0 3 298.471 3.090 20 30 CGEDHN Cc1cc([C@@H](C)NCCOc2ccc(C#N)cc2)oc1C ZINC000337485844 214113130 /nfs/dbraw/zinc/11/31/30/214113130.db2.gz SKDPOEOVSZGTQQ-CYBMUJFWSA-N 0 3 284.359 3.498 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000651700260 398271214 /nfs/dbraw/zinc/27/12/14/398271214.db2.gz ZCHKSSDDOZTFOD-HLLBOEOZSA-N 0 3 284.403 3.126 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](CO)c2ccsc2)C1 ZINC000651764826 398284769 /nfs/dbraw/zinc/28/47/69/398284769.db2.gz PRAIZAQISWFNSV-XBFCOCLRSA-N 0 3 251.395 3.116 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1ccc(CCC)cc1)C(C)C ZINC000096955859 185140894 /nfs/dbraw/zinc/14/08/94/185140894.db2.gz ALQJHIGERULRBB-GOSISDBHSA-N 0 3 288.435 3.228 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651821902 398293590 /nfs/dbraw/zinc/29/35/90/398293590.db2.gz AVRZKGDCONZKHL-UPJWGTAASA-N 0 3 281.758 3.400 20 30 CGEDHN Cc1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000336368299 282156902 /nfs/dbraw/zinc/15/69/02/282156902.db2.gz APTGASPBCRHLPG-INIZCTEOSA-N 0 3 283.400 3.490 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)COCC2CC2)cc1 ZINC000651981716 398315298 /nfs/dbraw/zinc/31/52/98/398315298.db2.gz ZFADMFNHGLCMRA-AWEZNQCLSA-N 0 3 275.392 3.156 20 30 CGEDHN COc1cccc2c1CN(CCCC(C)(C)C#N)CC2 ZINC000590759709 346872745 /nfs/dbraw/zinc/87/27/45/346872745.db2.gz JJMZZXUUIOGNEG-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN CC[C@@H]1OCC[C@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC000590972998 346892568 /nfs/dbraw/zinc/89/25/68/346892568.db2.gz JGQHJSITMRKJOX-CVEARBPZSA-N 0 3 272.392 3.145 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000591022452 346895084 /nfs/dbraw/zinc/89/50/84/346895084.db2.gz PFNKJLQLDUZYDM-AWEZNQCLSA-N 0 3 290.382 3.499 20 30 CGEDHN CC[C@@H](CNc1nc(C)c(C#N)cc1Cl)N1CCCC1 ZINC000359880107 529497452 /nfs/dbraw/zinc/49/74/52/529497452.db2.gz POEABFFDLHWQBY-ZDUSSCGKSA-N 0 3 292.814 3.201 20 30 CGEDHN N#CC1(CCN[C@@]2(CO)CCc3ccccc32)CCCCC1 ZINC000591019771 346895208 /nfs/dbraw/zinc/89/52/08/346895208.db2.gz BNCMLUVCPZSJAS-LJQANCHMSA-N 0 3 298.430 3.274 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3cccnc3CC2)c(F)c1 ZINC000591531638 346928459 /nfs/dbraw/zinc/92/84/59/346928459.db2.gz VWEOGLKRLAPWDL-MRXNPFEDSA-N 0 3 295.361 3.130 20 30 CGEDHN CS[C@@H]1CC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000591837505 346941906 /nfs/dbraw/zinc/94/19/06/346941906.db2.gz QLYRTZDKKSZJEJ-CHWSQXEVSA-N 0 3 266.797 3.195 20 30 CGEDHN CO[C@H](CN[C@H](CCC#N)c1ccccc1)C1CC1 ZINC000591845569 346941917 /nfs/dbraw/zinc/94/19/17/346941917.db2.gz MSPKCHHWLHVUKS-HZPDHXFCSA-N 0 3 258.365 3.046 20 30 CGEDHN CC[C@H]1CN(C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849974 346942492 /nfs/dbraw/zinc/94/24/92/346942492.db2.gz GZCXSGOAEMORSY-KRWDZBQOSA-N 0 3 285.435 3.014 20 30 CGEDHN C=CC(C)(C)CCNCc1nn(C)c2ccccc12 ZINC000623592874 349843616 /nfs/dbraw/zinc/84/36/16/349843616.db2.gz GKUPKUSCJWWTJT-UHFFFAOYSA-N 0 3 257.381 3.265 20 30 CGEDHN CCCC[C@@H](NCc1ccncc1C#N)C1CCC1 ZINC000592098280 346962638 /nfs/dbraw/zinc/96/26/38/346962638.db2.gz HEZDCESPTWIGEV-MRXNPFEDSA-N 0 3 257.381 3.402 20 30 CGEDHN CC(C)(C)C[C@H]1CCCN1Cc1ccncc1C#N ZINC000592066049 346958994 /nfs/dbraw/zinc/95/89/94/346958994.db2.gz FQQZQYMRMQRPJU-OAHLLOKOSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2c(C(F)(F)F)cnn2C)C1 ZINC000623600520 349845933 /nfs/dbraw/zinc/84/59/33/349845933.db2.gz REQRUXIDROFZCL-GHMZBOCLSA-N 0 3 287.329 3.273 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2c(C(F)(F)F)cnn2C)C1 ZINC000623600523 349846220 /nfs/dbraw/zinc/84/62/20/349846220.db2.gz REQRUXIDROFZCL-WDEREUQCSA-N 0 3 287.329 3.273 20 30 CGEDHN N#CC[C@]1(O)CCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000592146846 346967032 /nfs/dbraw/zinc/96/70/32/346967032.db2.gz KWTNTDFYWAVGDD-IBGZPJMESA-N 0 3 292.382 3.204 20 30 CGEDHN C=CCOc1cccc(CN[C@H](CO)CCC(C)C)c1 ZINC000623647862 349855562 /nfs/dbraw/zinc/85/55/62/349855562.db2.gz QSZHCJTXVFCEGL-INIZCTEOSA-N 0 3 277.408 3.138 20 30 CGEDHN C[C@@H](NCC(C)(C)CCC#N)c1cc2n(n1)CCCC2 ZINC000592390053 346981545 /nfs/dbraw/zinc/98/15/45/346981545.db2.gz IYJMEAXCFPFBHK-CYBMUJFWSA-N 0 3 274.412 3.200 20 30 CGEDHN C[C@@H](NCC1CCC(C#N)CC1)c1cc2n(n1)CCCC2 ZINC000592390295 346981581 /nfs/dbraw/zinc/98/15/81/346981581.db2.gz PDKNVDRFOVMKEE-WLYUNCDWSA-N 0 3 286.423 3.200 20 30 CGEDHN Cc1ccccc1C1(NCc2ccnc(C#N)c2)CCC1 ZINC000593038871 347031223 /nfs/dbraw/zinc/03/12/23/347031223.db2.gz JSLSFRGSNQPDPO-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN C[C@H](CCC#N)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000593116374 347041174 /nfs/dbraw/zinc/04/11/74/347041174.db2.gz LLTHBEWFCXLQMQ-QWHCGFSZSA-N 0 3 260.356 3.480 20 30 CGEDHN C[C@@H](CCNc1snc(Cl)c1C#N)N1CCCCC1 ZINC000273228274 192081284 /nfs/dbraw/zinc/08/12/84/192081284.db2.gz VUDBWXDFTBLTMG-JTQLQIEISA-N 0 3 298.843 3.345 20 30 CGEDHN Cc1cc(C)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574193 344971459 /nfs/dbraw/zinc/97/14/59/344971459.db2.gz GGGWTZKYLSRKJO-HNNXBMFYSA-N 0 3 279.343 3.200 20 30 CGEDHN C=CCN(CC=C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000056493625 345165436 /nfs/dbraw/zinc/16/54/36/345165436.db2.gz SQKZAIGZMRIHDN-UHFFFAOYSA-N 0 3 276.336 3.038 20 30 CGEDHN N#CCCCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000055505005 345150693 /nfs/dbraw/zinc/15/06/93/345150693.db2.gz DLZVINRBKDRRGK-UHFFFAOYSA-N 0 3 291.826 3.151 20 30 CGEDHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCCCC#N ZINC000060366498 345214477 /nfs/dbraw/zinc/21/44/77/345214477.db2.gz OOVXFPDDFWXKTI-CQSZACIVSA-N 0 3 295.427 3.059 20 30 CGEDHN C=CCOc1ccc(CN[C@H](CO)CC(C)C)cc1Cl ZINC000066989089 345311467 /nfs/dbraw/zinc/31/14/67/345311467.db2.gz CDLKMTKPODKGSS-AWEZNQCLSA-N 0 3 297.826 3.401 20 30 CGEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000075022028 345490933 /nfs/dbraw/zinc/49/09/33/345490933.db2.gz QJCJYTFAWUMZPF-CVEARBPZSA-N 0 3 299.418 3.054 20 30 CGEDHN CCN(CCC#N)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000084409460 345733841 /nfs/dbraw/zinc/73/38/41/345733841.db2.gz MLMYQROHYQVTIW-UHFFFAOYSA-N 0 3 299.418 3.047 20 30 CGEDHN N#Cc1ccc(F)cc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000160983999 232248149 /nfs/dbraw/zinc/24/81/49/232248149.db2.gz LFLCOGMELZIYJS-KBPBESRZSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCNC(=O)CN(CCCC)[C@@H](C)c1ccccc1 ZINC000123361593 346009109 /nfs/dbraw/zinc/00/91/09/346009109.db2.gz DYNJHDOCWUNBQZ-HNNXBMFYSA-N 0 3 274.408 3.152 20 30 CGEDHN CN(C)CCN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000168253119 346190586 /nfs/dbraw/zinc/19/05/86/346190586.db2.gz FTIQBRDJPFUXFS-UHFFFAOYSA-N 0 3 293.414 3.122 20 30 CGEDHN C=CCCCCCN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000193434845 346269264 /nfs/dbraw/zinc/26/92/64/346269264.db2.gz OHTGWPDOMPBLBJ-MRXNPFEDSA-N 0 3 294.826 3.377 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000279972182 346417230 /nfs/dbraw/zinc/41/72/30/346417230.db2.gz CZZZZXSCTIYKNU-CQSZACIVSA-N 0 3 293.432 3.200 20 30 CGEDHN CC1(C)[C@H](C(F)(F)F)CCN1CC1(CC#N)CC1 ZINC000302497968 346441173 /nfs/dbraw/zinc/44/11/73/346441173.db2.gz WIBDHMFNFCQHGA-SNVBAGLBSA-N 0 3 260.303 3.343 20 30 CGEDHN CCOC(=O)C(C)(C)CCC[C@H](C)NCC(C)(C)C#N ZINC000593614970 347095460 /nfs/dbraw/zinc/09/54/60/347095460.db2.gz IYHJTMBNPDJFAA-ZDUSSCGKSA-N 0 3 282.428 3.274 20 30 CGEDHN CCOC(=O)C(C)(C)CCC[C@@H](C)NCC(C)(C)C#N ZINC000593614969 347095806 /nfs/dbraw/zinc/09/58/06/347095806.db2.gz IYHJTMBNPDJFAA-CYBMUJFWSA-N 0 3 282.428 3.274 20 30 CGEDHN CCOC(=O)C(C)(C)CCC[C@H](C)NCC1(C#N)CC1 ZINC000593621975 347096850 /nfs/dbraw/zinc/09/68/50/347096850.db2.gz PEKJRSNOKABVNJ-ZDUSSCGKSA-N 0 3 280.412 3.028 20 30 CGEDHN COc1ccccc1C[C@@H](C)NCC1(C#N)CCCC1 ZINC000593653410 347100111 /nfs/dbraw/zinc/10/01/11/347100111.db2.gz KGEAIOHYNWMDQF-CQSZACIVSA-N 0 3 272.392 3.300 20 30 CGEDHN C[C@@H](COCC1CC1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000593719778 347107826 /nfs/dbraw/zinc/10/78/26/347107826.db2.gz RHIPWPNACFAWDK-SCLBCKFNSA-N 0 3 284.403 3.340 20 30 CGEDHN CN(Cc1ccc(C#N)cn1)[C@@H]1CCCc2ccccc21 ZINC000593936586 347120208 /nfs/dbraw/zinc/12/02/08/347120208.db2.gz DUAXWXVOYZMQTG-GOSISDBHSA-N 0 3 277.371 3.463 20 30 CGEDHN CCSCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594031826 347140422 /nfs/dbraw/zinc/14/04/22/347140422.db2.gz KFLUXUMJJVZERU-UHFFFAOYSA-N 0 3 260.406 3.280 20 30 CGEDHN N#Cc1ccc(C2(NCCOCC3CCC3)CCC2)cc1 ZINC000594034994 347140735 /nfs/dbraw/zinc/14/07/35/347140735.db2.gz IAWLRDYFWPVLIS-UHFFFAOYSA-N 0 3 284.403 3.344 20 30 CGEDHN CC(C)COCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033030 347140854 /nfs/dbraw/zinc/14/08/54/347140854.db2.gz DZQIOQMBDCBYLO-UHFFFAOYSA-N 0 3 272.392 3.200 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000594045108 347144417 /nfs/dbraw/zinc/14/44/17/347144417.db2.gz TZCDHCSGNYYVQE-JKSUJKDBSA-N 0 3 276.355 3.135 20 30 CGEDHN Cn1cc(CNCc2ccc(C(C)(F)F)cc2)cc1C#N ZINC000293056564 232600109 /nfs/dbraw/zinc/60/01/09/232600109.db2.gz UKYXHGGLKHDOKL-UHFFFAOYSA-N 0 3 289.329 3.298 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC(C3CC3)C2)cc1 ZINC000594609219 347202651 /nfs/dbraw/zinc/20/26/51/347202651.db2.gz HHZOYUGAUWOZJA-UHFFFAOYSA-N 0 3 254.377 3.330 20 30 CGEDHN Cc1cc(NC(=O)CCCCC#N)ccc1CN(C)C ZINC000594368530 347171990 /nfs/dbraw/zinc/17/19/90/347171990.db2.gz DOMIHEWXTATHES-UHFFFAOYSA-N 0 3 273.380 3.079 20 30 CGEDHN CC(C)CCN(C(=O)[C@H](N)CCCCC#N)C1CCCC1 ZINC000594426371 347173915 /nfs/dbraw/zinc/17/39/15/347173915.db2.gz CMGAOWHCYYHMDM-MRXNPFEDSA-N 0 3 293.455 3.215 20 30 CGEDHN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594440357 347174581 /nfs/dbraw/zinc/17/45/81/347174581.db2.gz YHAGVQBUZYLWRN-XHSDSOJGSA-N 0 3 293.455 3.119 20 30 CGEDHN N#Cc1ccc(C2(NCc3cc[nH]c3)CCC2)cc1 ZINC000594519295 347188051 /nfs/dbraw/zinc/18/80/51/347188051.db2.gz JMJAAQVUCRTQMN-UHFFFAOYSA-N 0 3 251.333 3.055 20 30 CGEDHN Cc1ccc(O)c(CNC2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594520411 347188824 /nfs/dbraw/zinc/18/88/24/347188824.db2.gz OYABPDNLWQZSGM-UHFFFAOYSA-N 0 3 293.370 3.136 20 30 CGEDHN Cc1cnccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594522008 347189155 /nfs/dbraw/zinc/18/91/55/347189155.db2.gz WTUWPZNGZZNGPN-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000594987958 347250142 /nfs/dbraw/zinc/25/01/42/347250142.db2.gz NADNZZHDHMIGON-LSDHHAIUSA-N 0 3 288.391 3.367 20 30 CGEDHN CCc1ccc(CNCCc2ccc(C#N)cc2)o1 ZINC000594955692 347240096 /nfs/dbraw/zinc/24/00/96/347240096.db2.gz SDFCZMOLGCDHRK-UHFFFAOYSA-N 0 3 254.333 3.046 20 30 CGEDHN CC[C@H](COCC1CC1)NCc1ccc(C#N)c(C)c1 ZINC000594957874 347240572 /nfs/dbraw/zinc/24/05/72/347240572.db2.gz VZPRAHNXRKMVCV-QGZVFWFLSA-N 0 3 272.392 3.162 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000595251852 347285683 /nfs/dbraw/zinc/28/56/83/347285683.db2.gz YDNFKWLUGBYZDF-LSDHHAIUSA-N 0 3 291.439 3.017 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000595251849 347285704 /nfs/dbraw/zinc/28/57/04/347285704.db2.gz YDNFKWLUGBYZDF-CABCVRRESA-N 0 3 291.439 3.017 20 30 CGEDHN Cc1cc([C@@H]2CCCN2CCc2ccc(C#N)cc2)on1 ZINC000595299167 347289391 /nfs/dbraw/zinc/28/93/91/347289391.db2.gz WZHKFSCGNWIIBS-INIZCTEOSA-N 0 3 281.359 3.234 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(C(F)F)nc1 ZINC000595048976 347269279 /nfs/dbraw/zinc/26/92/79/347269279.db2.gz IHAPWALOUIHMSF-SNVBAGLBSA-N 0 3 265.307 3.364 20 30 CGEDHN C=CCCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595055165 347271102 /nfs/dbraw/zinc/27/11/02/347271102.db2.gz UOKBQLVPOPVUJS-NSHDSACASA-N 0 3 264.325 3.220 20 30 CGEDHN C[C@H](NC[C@@]1(C)CC1(F)F)c1ccc(C#N)c(F)c1 ZINC000595081897 347279823 /nfs/dbraw/zinc/27/98/23/347279823.db2.gz UBGYOBJSLVTREQ-TVQRCGJNSA-N 0 3 268.282 3.393 20 30 CGEDHN CC[C@H](C)N(CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000595598430 347323652 /nfs/dbraw/zinc/32/36/52/347323652.db2.gz CZLLGPOEALQRSD-JTQLQIEISA-N 0 3 293.436 3.296 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000595658419 347334449 /nfs/dbraw/zinc/33/44/49/347334449.db2.gz IQLGQKLWNUNCRO-ZDUSSCGKSA-N 0 3 277.364 3.244 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](CCF)C1 ZINC000595755509 347350302 /nfs/dbraw/zinc/35/03/02/347350302.db2.gz NICKQCIPOROAIE-CYBMUJFWSA-N 0 3 276.355 3.138 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](CCF)C1 ZINC000595755558 347350354 /nfs/dbraw/zinc/35/03/54/347350354.db2.gz OBDLTZAOQBHMEL-CYBMUJFWSA-N 0 3 276.355 3.138 20 30 CGEDHN COc1ccc(CN2CCC[C@H](CCF)C2)cc1C#N ZINC000595756727 347351664 /nfs/dbraw/zinc/35/16/64/347351664.db2.gz WEQZAOQRNZQTBC-CYBMUJFWSA-N 0 3 276.355 3.138 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](CCF)C2)s1 ZINC000595756363 347352061 /nfs/dbraw/zinc/35/20/61/347352061.db2.gz UJXVWFNLMRSETH-LLVKDONJSA-N 0 3 252.358 3.191 20 30 CGEDHN CC(C)(C#N)CCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595770230 347353480 /nfs/dbraw/zinc/35/34/80/347353480.db2.gz WEPBVALDNMQKAB-UHFFFAOYSA-N 0 3 297.402 3.093 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595786280 347356219 /nfs/dbraw/zinc/35/62/19/347356219.db2.gz HKKACBFWFNDTGD-QZTJIDSGSA-N 0 3 284.403 3.339 20 30 CGEDHN CO[C@@H](CN1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000595428116 347302161 /nfs/dbraw/zinc/30/21/61/347302161.db2.gz MAPMNUAKTYKGJC-HNNXBMFYSA-N 0 3 264.413 3.207 20 30 CGEDHN CCc1nc([C@@H](C)NCCc2ccc(C#N)cc2)cs1 ZINC000595429943 347302345 /nfs/dbraw/zinc/30/23/45/347302345.db2.gz PYECWTRTZUGKSX-GFCCVEGCSA-N 0 3 285.416 3.470 20 30 CGEDHN CCCN(CCN1CCCC1)[C@H](C#N)c1ccccc1 ZINC000595494444 347311574 /nfs/dbraw/zinc/31/15/74/347311574.db2.gz YSMSWLZRFIYJRX-QGZVFWFLSA-N 0 3 271.408 3.059 20 30 CGEDHN N#CC1(c2ccc(CN3CCOCC4(CCC4)C3)cc2)CC1 ZINC000597084456 347535035 /nfs/dbraw/zinc/53/50/35/347535035.db2.gz UHYNMVNJCCSUND-UHFFFAOYSA-N 0 3 296.414 3.244 20 30 CGEDHN N#Cc1ccc2ncc(CN3CCC[C@@H](C4CCC4)C3)n2c1 ZINC000597227887 347557670 /nfs/dbraw/zinc/55/76/70/347557670.db2.gz IAVJDEVOCBPSCK-MRXNPFEDSA-N 0 3 294.402 3.218 20 30 CGEDHN CCC(CC)CCCN(C)Cc1cnc2c(C#N)cnn2c1 ZINC000597232587 347560102 /nfs/dbraw/zinc/56/01/02/347560102.db2.gz VQPAWWHZZPDGGA-UHFFFAOYSA-N 0 3 299.422 3.249 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(C)CCCC1)C(C)C ZINC000598109755 347628319 /nfs/dbraw/zinc/62/83/19/347628319.db2.gz XOJIMKNTAKVCAW-INIZCTEOSA-N 0 3 292.467 3.382 20 30 CGEDHN Cc1ccc(C(C)(C)CNCc2ccc(C#N)cc2F)nc1 ZINC000598990329 347704043 /nfs/dbraw/zinc/70/40/43/347704043.db2.gz DGEICEANQOFONT-UHFFFAOYSA-N 0 3 297.377 3.468 20 30 CGEDHN Cc1cccc2c1C[C@@H](NCc1ccc(C#N)c(F)c1)CO2 ZINC000598988164 347704183 /nfs/dbraw/zinc/70/41/83/347704183.db2.gz YFDGDTJQOXZSCQ-OAHLLOKOSA-N 0 3 296.345 3.099 20 30 CGEDHN Cc1cccc2c1C[C@H](NCc1ccc(C#N)c(F)c1)CO2 ZINC000598988163 347704246 /nfs/dbraw/zinc/70/42/46/347704246.db2.gz YFDGDTJQOXZSCQ-HNNXBMFYSA-N 0 3 296.345 3.099 20 30 CGEDHN N#CC1CCC(CN[C@@H]2CCCc3scnc32)CC1 ZINC000599047153 347710345 /nfs/dbraw/zinc/71/03/45/347710345.db2.gz XTDCXIJGVVTVBD-WXRRBKDZSA-N 0 3 275.421 3.440 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccc(F)cc1)C1CC1 ZINC000598584940 347665962 /nfs/dbraw/zinc/66/59/62/347665962.db2.gz JTEKLLARHFTGRT-MRXNPFEDSA-N 0 3 290.382 3.091 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000598587759 347667692 /nfs/dbraw/zinc/66/76/92/347667692.db2.gz VMIRJWHGUIICRL-JKSUJKDBSA-N 0 3 290.382 3.263 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNC1(c2cccc(Cl)c2)CC1 ZINC000598603663 347670535 /nfs/dbraw/zinc/67/05/35/347670535.db2.gz YFYTYHBYDZWKNP-AWEZNQCLSA-N 0 3 292.810 3.219 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000598628621 347672986 /nfs/dbraw/zinc/67/29/86/347672986.db2.gz QEPSVIXNXFUQSD-QAPCUYQASA-N 0 3 286.419 3.202 20 30 CGEDHN N#CCCCN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599669209 347763608 /nfs/dbraw/zinc/76/36/08/347763608.db2.gz XMKNTCKICKGYRS-CYBMUJFWSA-N 0 3 287.190 3.310 20 30 CGEDHN Cc1ccc(CN2CCCC3(CCOCC3)C2)cc1C#N ZINC000599298972 347733402 /nfs/dbraw/zinc/73/34/02/347733402.db2.gz CHTMUPYZKXVXDY-UHFFFAOYSA-N 0 3 284.403 3.259 20 30 CGEDHN Cc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1C#N ZINC000599361433 347739836 /nfs/dbraw/zinc/73/98/36/347739836.db2.gz GPZCSGLFZKCBFI-KRWDZBQOSA-N 0 3 284.403 3.115 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599426745 347743863 /nfs/dbraw/zinc/74/38/63/347743863.db2.gz OOPXQZCRGHKLME-OAHLLOKOSA-N 0 3 274.433 3.442 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)sc2C)C1 ZINC000599526963 347750690 /nfs/dbraw/zinc/75/06/90/347750690.db2.gz YQPBDOFEHWICJJ-LBPRGKRZSA-N 0 3 279.405 3.241 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599530021 347751413 /nfs/dbraw/zinc/75/14/13/347751413.db2.gz SEVJQLDQDVIASF-LBPRGKRZSA-N 0 3 276.336 3.001 20 30 CGEDHN C=CCC1(NCc2ccncc2C#N)CCCCC1 ZINC000599611093 347758144 /nfs/dbraw/zinc/75/81/44/347758144.db2.gz WYVSWGUNWWAUQG-UHFFFAOYSA-N 0 3 255.365 3.322 20 30 CGEDHN CC1(C)[C@H](c2cccc(F)c2)CCN1CCOCCC#N ZINC000599629608 347759417 /nfs/dbraw/zinc/75/94/17/347759417.db2.gz JLJRTYOOCXDRDW-INIZCTEOSA-N 0 3 290.382 3.324 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(O)cc3)C2)s1 ZINC000600214280 347794522 /nfs/dbraw/zinc/79/45/22/347794522.db2.gz OJTWTIHGCPCNMB-CYBMUJFWSA-N 0 3 284.384 3.315 20 30 CGEDHN N#CC1(C[C@@H](O)CNCc2ccc(Cl)cc2Cl)CC1 ZINC000600713372 347830294 /nfs/dbraw/zinc/83/02/94/347830294.db2.gz ICVSUHXLWBWPQZ-GFCCVEGCSA-N 0 3 299.201 3.138 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000600148332 347784744 /nfs/dbraw/zinc/78/47/44/347784744.db2.gz RUXVRJNVFNYBGE-UHFFFAOYSA-N 0 3 253.349 3.294 20 30 CGEDHN C[C@]1(CNCC2(C#N)CCCCC2)CCCS1 ZINC000600180611 347789580 /nfs/dbraw/zinc/78/95/80/347789580.db2.gz LRDKXMTUYVIKQH-CYBMUJFWSA-N 0 3 252.427 3.336 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC000600769875 347832886 /nfs/dbraw/zinc/83/28/86/347832886.db2.gz UHLFMNCDYORFOZ-LBPRGKRZSA-N 0 3 266.344 3.351 20 30 CGEDHN N#CCCCNCc1ccc(CC(F)(F)F)cc1 ZINC000601113850 347871133 /nfs/dbraw/zinc/87/11/33/347871133.db2.gz RITGVJBDQNCOGD-UHFFFAOYSA-N 0 3 256.271 3.185 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CCC2)[C@H]2CCCO2)cc1F ZINC000601156349 347876182 /nfs/dbraw/zinc/87/61/82/347876182.db2.gz PPLQFILIBHTDQQ-SJORKVTESA-N 0 3 288.366 3.135 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000601286976 347888820 /nfs/dbraw/zinc/88/88/20/347888820.db2.gz COAJULIBISKSJD-IFUGULHKSA-N 0 3 296.773 3.184 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000601306128 347890608 /nfs/dbraw/zinc/89/06/08/347890608.db2.gz AXDFKVUBGPLNLG-XXILOJSOSA-N 0 3 254.255 3.160 20 30 CGEDHN CC[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(C#N)cc1 ZINC000601321292 347891870 /nfs/dbraw/zinc/89/18/70/347891870.db2.gz ODMZWKNIUISEDW-HZPDHXFCSA-N 0 3 280.375 3.331 20 30 CGEDHN C=CCCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000601958685 347929414 /nfs/dbraw/zinc/92/94/14/347929414.db2.gz WHNPKLRXBBWQTQ-UHFFFAOYSA-N 0 3 272.392 3.080 20 30 CGEDHN CC(C)[C@@H]1OCCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602011613 347932287 /nfs/dbraw/zinc/93/22/87/347932287.db2.gz ILOWFROEJBMJRM-PBHICJAKSA-N 0 3 290.382 3.238 20 30 CGEDHN CCSCC[C@H](C)NCc1cccc(F)c1C#N ZINC000602014693 347933146 /nfs/dbraw/zinc/93/31/46/347933146.db2.gz VSTPKROBXQVIHE-NSHDSACASA-N 0 3 266.385 3.319 20 30 CGEDHN C[C@H]1CC(CCNCc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000602015628 347933288 /nfs/dbraw/zinc/93/32/88/347933288.db2.gz FCVOHWSPGQEJQJ-STQMWFEESA-N 0 3 290.382 3.381 20 30 CGEDHN CC(C)C[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602016772 347933333 /nfs/dbraw/zinc/93/33/33/347933333.db2.gz ZVHPRNLIROHKKH-LSDHHAIUSA-N 0 3 290.382 3.381 20 30 CGEDHN Cc1cccnc1CCCNCc1cccc(F)c1C#N ZINC000602026048 347934729 /nfs/dbraw/zinc/93/47/29/347934729.db2.gz VCRVNZIWNPBCJN-UHFFFAOYSA-N 0 3 283.350 3.123 20 30 CGEDHN CCC(C)(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601744595 347911097 /nfs/dbraw/zinc/91/10/97/347911097.db2.gz LQORKCPRWAKQMG-MRXNPFEDSA-N 0 3 297.402 3.183 20 30 CGEDHN CC[C@H](C)[C@@H](CN(C)Cc1ccc(C#N)cc1)OC ZINC000602438019 347957962 /nfs/dbraw/zinc/95/79/62/347957962.db2.gz GDYYVRKMYAJCPO-XJKSGUPXSA-N 0 3 260.381 3.051 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000602448389 347959965 /nfs/dbraw/zinc/95/99/65/347959965.db2.gz GQFFRFNEBJLPPQ-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN CC(C)[C@@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602511453 347973089 /nfs/dbraw/zinc/97/30/89/347973089.db2.gz RYNLRAHBMSUINF-GOSISDBHSA-N 0 3 279.387 3.483 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2CCCc3ccccc32)n1 ZINC000602510361 347973107 /nfs/dbraw/zinc/97/31/07/347973107.db2.gz HNGCHDGOWPIFHT-OAHLLOKOSA-N 0 3 277.371 3.163 20 30 CGEDHN C[C@H](NCc1cccc(C#N)n1)[C@@H](C)c1ccccc1 ZINC000602565076 347983406 /nfs/dbraw/zinc/98/34/06/347983406.db2.gz PEEXWTJHJCQCHD-KGLIPLIRSA-N 0 3 265.360 3.235 20 30 CGEDHN N#CC1CCC(NCc2nnc(-c3ccccc3)s2)CC1 ZINC000602567629 347984411 /nfs/dbraw/zinc/98/44/11/347984411.db2.gz ICDPPWLFJRUMMV-UHFFFAOYSA-N 0 3 298.415 3.377 20 30 CGEDHN C[C@@H](NC[C@@H](C)CCC#N)c1ccccc1[N+](=O)[O-] ZINC000602580497 347987530 /nfs/dbraw/zinc/98/75/30/347987530.db2.gz DWRCHCBDFUTACK-NWDGAFQWSA-N 0 3 261.325 3.185 20 30 CGEDHN CC[C@@H](C)[C@H](CNC1(c2cccc(C#N)c2)CC1)OC ZINC000602581292 347988135 /nfs/dbraw/zinc/98/81/35/347988135.db2.gz JKHLBRAGZFSJEH-CJNGLKHVSA-N 0 3 272.392 3.198 20 30 CGEDHN C[C@@H](CCC#N)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000602613804 347994754 /nfs/dbraw/zinc/99/47/54/347994754.db2.gz QDASERNQJOYSQW-GOEBONIOSA-N 0 3 264.413 3.207 20 30 CGEDHN CC[C@H](C)c1nnc([C@@H](C)[NH2+]C2CCC(C#N)CC2)[n-]1 ZINC000602629469 347997105 /nfs/dbraw/zinc/99/71/05/347997105.db2.gz HSRIIUYEUPHKOQ-ZFDZMSFRSA-N 0 3 275.400 3.051 20 30 CGEDHN CC[C@H](C)c1nnc([C@@H](C)NC2CCC(C#N)CC2)[nH]1 ZINC000602629469 347997108 /nfs/dbraw/zinc/99/71/08/347997108.db2.gz HSRIIUYEUPHKOQ-ZFDZMSFRSA-N 0 3 275.400 3.051 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@H]1CCc2cc(C#N)ccc21)OC ZINC000602642471 347999888 /nfs/dbraw/zinc/99/98/88/347999888.db2.gz YEIQMVSTKXVFPH-AFAVFJNCSA-N 0 3 272.392 3.196 20 30 CGEDHN N#CCC1(CNCc2cc(Cl)cc(Cl)c2N)CC1 ZINC000602644556 348000066 /nfs/dbraw/zinc/00/00/66/348000066.db2.gz YJJUDACNILZJME-UHFFFAOYSA-N 0 3 284.190 3.359 20 30 CGEDHN C[C@@H](CCC#N)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000602672928 348005908 /nfs/dbraw/zinc/00/59/08/348005908.db2.gz RXGAGICUHYYULS-ZFWWWQNUSA-N 0 3 257.381 3.404 20 30 CGEDHN N#Cc1cccc(CNCC[C@H]2CCc3ccccc32)n1 ZINC000602673720 348006551 /nfs/dbraw/zinc/00/65/51/348006551.db2.gz MPKJZJJFGPWBMI-OAHLLOKOSA-N 0 3 277.371 3.163 20 30 CGEDHN N#CC1(CNC[C@H]2CCc3ccccc3C2)CCC1 ZINC000602695600 348011370 /nfs/dbraw/zinc/01/13/70/348011370.db2.gz BCMFUZGDXMKYKK-AWEZNQCLSA-N 0 3 254.377 3.075 20 30 CGEDHN N#Cc1cccc(CN2CCCC[C@H]2C2CCC2)n1 ZINC000602703634 348012608 /nfs/dbraw/zinc/01/26/08/348012608.db2.gz RQDQVKFPYGZOJZ-INIZCTEOSA-N 0 3 255.365 3.108 20 30 CGEDHN C[C@H](CCC#N)CN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000602720213 348017072 /nfs/dbraw/zinc/01/70/72/348017072.db2.gz DUUDXKUWLSPINN-CYBMUJFWSA-N 0 3 286.423 3.072 20 30 CGEDHN N#Cc1cccc(CNC2CCC(C3CCC3)CC2)n1 ZINC000602725465 348018611 /nfs/dbraw/zinc/01/86/11/348018611.db2.gz XJOXZUBVZYLLHG-UHFFFAOYSA-N 0 3 269.392 3.402 20 30 CGEDHN CSC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000602726303 348018694 /nfs/dbraw/zinc/01/86/94/348018694.db2.gz QJNAXSZHGCWMQL-UHFFFAOYSA-N 0 3 260.406 3.194 20 30 CGEDHN N#Cc1cccc(CN[C@H](Cc2ccccc2)C2CC2)n1 ZINC000602556153 347981441 /nfs/dbraw/zinc/98/14/41/347981441.db2.gz JKWMDWLXENVIFV-GOSISDBHSA-N 0 3 277.371 3.064 20 30 CGEDHN COc1ccccc1C(C)(C)NCC1(CC#N)CC1 ZINC000602791039 348030623 /nfs/dbraw/zinc/03/06/23/348030623.db2.gz BXBXEIILCAFBLJ-UHFFFAOYSA-N 0 3 258.365 3.214 20 30 CGEDHN C[C@@H]1CN(CC/C=C/c2ccccc2)C[C@@H](C)N1CC#N ZINC000602848206 348036344 /nfs/dbraw/zinc/03/63/44/348036344.db2.gz FLXXFGSKXWHXRR-DTIZEGCPSA-N 0 3 283.419 3.008 20 30 CGEDHN CC(C)(NC[C@H]1CC(C)(C)CO1)c1cccc(C#N)c1 ZINC000602878652 348039778 /nfs/dbraw/zinc/03/97/78/348039778.db2.gz DCBKTWQZPJKYCP-OAHLLOKOSA-N 0 3 272.392 3.198 20 30 CGEDHN CSC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000602919281 348044401 /nfs/dbraw/zinc/04/44/01/348044401.db2.gz DHIKBHUCIOAGHV-GFCCVEGCSA-N 0 3 260.406 3.447 20 30 CGEDHN N#CCCCCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602923189 348045315 /nfs/dbraw/zinc/04/53/15/348045315.db2.gz AAJFXRXRBPHKFZ-ZDUSSCGKSA-N 0 3 286.297 3.022 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(Cc3nccs3)CC2)C1 ZINC000602954014 348047035 /nfs/dbraw/zinc/04/70/35/348047035.db2.gz GCPDIIJFZAIIFK-KBPBESRZSA-N 0 3 275.421 3.090 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000273353328 192123929 /nfs/dbraw/zinc/12/39/29/192123929.db2.gz BMJMUKUCIIUEEM-GFCCVEGCSA-N 0 3 275.323 3.112 20 30 CGEDHN N#Cc1cc(CN(C2CC2)C2CCCCC2)ccn1 ZINC000610992047 348414917 /nfs/dbraw/zinc/41/49/17/348414917.db2.gz RUDVUEHOHUKFAD-UHFFFAOYSA-N 0 3 255.365 3.250 20 30 CGEDHN CCN1C[C@@H](C)N(c2cc(C#N)nc3ccccc32)C[C@@H]1C ZINC000611222009 348428578 /nfs/dbraw/zinc/42/85/78/348428578.db2.gz CCDZSBGQFUJAEL-UONOGXRCSA-N 0 3 294.402 3.025 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCC[C@@H](C)N2CCCCC2)c1 ZINC000273369196 192129703 /nfs/dbraw/zinc/12/97/03/192129703.db2.gz XJMRONDRJSARJO-CQSZACIVSA-N 0 3 299.418 3.437 20 30 CGEDHN CC(C)(CCC#N)CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000611273846 348434267 /nfs/dbraw/zinc/43/42/67/348434267.db2.gz NNIQBJJYCMUNIO-UHFFFAOYSA-N 0 3 282.391 3.292 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350560 348440926 /nfs/dbraw/zinc/44/09/26/348440926.db2.gz QNTZYOZLFHCSMO-ROUUACIJSA-N 0 3 284.403 3.197 20 30 CGEDHN CC#CCN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273368239 192128048 /nfs/dbraw/zinc/12/80/48/192128048.db2.gz BLBGAEKILKMPNA-CVEARBPZSA-N 0 3 261.340 3.001 20 30 CGEDHN CC#CCN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273368244 192128081 /nfs/dbraw/zinc/12/80/81/192128081.db2.gz BLBGAEKILKMPNA-HOTGVXAUSA-N 0 3 261.340 3.001 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(CO)c1 ZINC000611392027 348445346 /nfs/dbraw/zinc/44/53/46/348445346.db2.gz IQMNWHPYBNYFJU-IBGZPJMESA-N 0 3 292.382 3.218 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCOCC(F)(F)F ZINC000611391829 348445376 /nfs/dbraw/zinc/44/53/76/348445376.db2.gz ZVCDKGOHPYCKFG-CQSZACIVSA-N 0 3 298.308 3.104 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)NCCCOc1cccc(C#N)c1 ZINC000611408995 348447376 /nfs/dbraw/zinc/44/73/76/348447376.db2.gz AGHUEGQSDVILCP-GFCCVEGCSA-N 0 3 299.374 3.283 20 30 CGEDHN COC(=O)c1cccc(CNC(C(C)C)C(C)C)c1C#N ZINC000611434130 348451770 /nfs/dbraw/zinc/45/17/70/348451770.db2.gz PZVDJSQPZSNTKQ-UHFFFAOYSA-N 0 3 288.391 3.115 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H]1Cc2ccccc2NC1=O ZINC000624182643 349994632 /nfs/dbraw/zinc/99/46/32/349994632.db2.gz LNWWCPCAYVBEQG-XJKSGUPXSA-N 0 3 272.392 3.274 20 30 CGEDHN Cc1cc(C)cc(OCCN2CCC(CC#N)CC2)c1 ZINC000611687986 348466921 /nfs/dbraw/zinc/46/69/21/348466921.db2.gz YECJMBRAKKZFBR-UHFFFAOYSA-N 0 3 272.392 3.308 20 30 CGEDHN Cc1c(Cl)cnc(N[C@@H]2CN(C(C)C)C[C@H]2C)c1C#N ZINC000612085565 348492637 /nfs/dbraw/zinc/49/26/37/348492637.db2.gz XJQAESHFOIWPHK-QMTHXVAHSA-N 0 3 292.814 3.056 20 30 CGEDHN C[C@@]1(C#N)CCCN(C[C@H]2CCc3ccccc3C2)C1 ZINC000612165229 348499437 /nfs/dbraw/zinc/49/94/37/348499437.db2.gz LTJGMDTWAHFUJB-YJBOKZPZSA-N 0 3 268.404 3.417 20 30 CGEDHN CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000613423163 348600126 /nfs/dbraw/zinc/60/01/26/348600126.db2.gz UHKVZOHDPAKVNV-OAHLLOKOSA-N 0 3 298.434 3.147 20 30 CGEDHN COc1ccc2[nH]c3c(c2c1)C[C@@H](NCC(C)(C)C#N)CC3 ZINC000613145965 348568406 /nfs/dbraw/zinc/56/84/06/348568406.db2.gz XLHYXLMNWGSYKY-LBPRGKRZSA-N 0 3 297.402 3.173 20 30 CGEDHN CCN1CCN(Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614177771 348655458 /nfs/dbraw/zinc/65/54/58/348655458.db2.gz YOTZIKYLIMHDIV-OAHLLOKOSA-N 0 3 285.435 3.014 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000614407657 348674672 /nfs/dbraw/zinc/67/46/72/348674672.db2.gz VPDDSSCFFVMHQN-IRXDYDNUSA-N 0 3 286.419 3.096 20 30 CGEDHN CC(C)C1(C)CCN(Cc2ccnc(C#N)c2)CC1 ZINC000614588350 348684748 /nfs/dbraw/zinc/68/47/48/348684748.db2.gz ZOPVAMMKOYPHEL-UHFFFAOYSA-N 0 3 257.381 3.211 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1CCCC1)c1cccc(C#N)c1 ZINC000616113882 348787085 /nfs/dbraw/zinc/78/70/85/348787085.db2.gz IXDWQVYZXLTPAA-DYVFJYSZSA-N 0 3 272.392 3.150 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(F)F)C1 ZINC000615444969 348740333 /nfs/dbraw/zinc/74/03/33/348740333.db2.gz RAIUEDILZFYPJA-ZWNOBZJWSA-N 0 3 250.292 3.206 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccccc2F)cc1F ZINC000358307142 233103690 /nfs/dbraw/zinc/10/36/90/233103690.db2.gz KCKUMYWCAUHQEW-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN Cc1ccc2cc([C@@H](C)NC3CCN(CC#N)CC3)oc2c1 ZINC000617303577 348943438 /nfs/dbraw/zinc/94/34/38/348943438.db2.gz BSDLZSOZARRRBH-CQSZACIVSA-N 0 3 297.402 3.380 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCCC1 ZINC000617005111 348897038 /nfs/dbraw/zinc/89/70/38/348897038.db2.gz CRVBEZPRYJFCPU-AWEZNQCLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000617781939 349010809 /nfs/dbraw/zinc/01/08/09/349010809.db2.gz VVJXYKACEHLESC-RDJZCZTQSA-N 0 3 290.451 3.208 20 30 CGEDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000358557636 233154725 /nfs/dbraw/zinc/15/47/25/233154725.db2.gz CGPHSOIAPHUZNT-HFBAOOFYSA-N 0 3 276.355 3.306 20 30 CGEDHN Cn1cc(CN[C@@H]2CCCc3c(F)cccc32)cc1C#N ZINC000335364055 282643768 /nfs/dbraw/zinc/64/37/68/282643768.db2.gz SFVQQSQCXGUAAN-QGZVFWFLSA-N 0 3 283.350 3.203 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1Cl ZINC000619754744 349281670 /nfs/dbraw/zinc/28/16/70/349281670.db2.gz JPUNPBVWXVJCIU-SMDDNHRTSA-N 0 3 273.767 3.384 20 30 CGEDHN CC1(C)SC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000619823329 349285955 /nfs/dbraw/zinc/28/59/55/349285955.db2.gz REAWKBFFTDVOGD-CABCVRRESA-N 0 3 272.417 3.419 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cn3cccc(C)c3n2)C1 ZINC000625702816 350199809 /nfs/dbraw/zinc/19/98/09/350199809.db2.gz JDINVDKHRLVRSH-AWEZNQCLSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CC(C)(C)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000626263914 350289636 /nfs/dbraw/zinc/28/96/36/350289636.db2.gz TVVGFVHLSXIUSB-UHFFFAOYSA-N 0 3 289.423 3.472 20 30 CGEDHN C=CC[C@@H]1CCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000628485809 350554344 /nfs/dbraw/zinc/55/43/44/350554344.db2.gz UNYGBNMMCOVYBL-MRXNPFEDSA-N 0 3 298.430 3.321 20 30 CGEDHN C=CCC[C@@H](CC)NCc1c(Br)cnn1C ZINC000631685638 351119122 /nfs/dbraw/zinc/11/91/22/351119122.db2.gz XJSOJAGZHHHFMT-SNVBAGLBSA-N 0 3 286.217 3.017 20 30 CGEDHN C=CCCOCCN[C@@H](CCC)c1cc(C)ccn1 ZINC000631604140 351087983 /nfs/dbraw/zinc/08/79/83/351087983.db2.gz ZMIACIFXCOPCGX-HNNXBMFYSA-N 0 3 262.397 3.414 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633376719 351288783 /nfs/dbraw/zinc/28/87/83/351288783.db2.gz ZISZJZPBIMYWOZ-ZDUSSCGKSA-N 0 3 290.407 3.298 20 30 CGEDHN CN(CCc1ccc(F)cc1)Cc1ccc(C#N)s1 ZINC000123663505 187103718 /nfs/dbraw/zinc/10/37/18/187103718.db2.gz LBVUZNMMAZBDAE-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](C)c2cnccc2C)cc1 ZINC000271476951 191160570 /nfs/dbraw/zinc/16/05/70/191160570.db2.gz LKLILCFCMXHRBZ-HNNXBMFYSA-N 0 3 280.371 3.253 20 30 CGEDHN COc1cccc([C@H](C)NCCOc2cccc(C#N)c2)c1 ZINC000271625740 191248720 /nfs/dbraw/zinc/24/87/20/191248720.db2.gz DYDXNRLUBFVLQZ-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C#CCCCCNCc1csc(C(C)(C)C)n1 ZINC000150729833 187924832 /nfs/dbraw/zinc/92/48/32/187924832.db2.gz GKYPWFCPFXRDRG-UHFFFAOYSA-N 0 3 250.411 3.334 20 30 CGEDHN CCN(CCc1ccccc1)Cc1ccc(C#N)o1 ZINC000153697946 188097817 /nfs/dbraw/zinc/09/78/17/188097817.db2.gz XQVFNYRBXQEVFQ-UHFFFAOYSA-N 0 3 254.333 3.216 20 30 CGEDHN CCSCC[C@@H](C)NCc1ccc(C#N)cc1F ZINC000158111585 188357807 /nfs/dbraw/zinc/35/78/07/188357807.db2.gz QMABRTFSCIPRSC-LLVKDONJSA-N 0 3 266.385 3.319 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)CCn1cccn1 ZINC000158837719 188396316 /nfs/dbraw/zinc/39/63/16/188396316.db2.gz JQXMAUXVCVVYOW-OAHLLOKOSA-N 0 3 285.391 3.016 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccccc1OC(F)F ZINC000271759844 191309342 /nfs/dbraw/zinc/30/93/42/191309342.db2.gz MERQCPCLNLUILM-VXGBXAGGSA-N 0 3 285.334 3.266 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3ccccc3OC2)s1 ZINC000374543721 283148754 /nfs/dbraw/zinc/14/87/54/283148754.db2.gz NOUBIVOUJKTRSW-ZDUSSCGKSA-N 0 3 284.384 3.103 20 30 CGEDHN COc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 ZINC000093492579 138346869 /nfs/dbraw/zinc/34/68/69/138346869.db2.gz FGBBOFABWUWFTI-LLVKDONJSA-N 0 3 272.373 3.479 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@H](C3CC3)C2)n1 ZINC000424203509 236133479 /nfs/dbraw/zinc/13/34/79/236133479.db2.gz KXOKNRLFKJAELI-NWDGAFQWSA-N 0 3 261.394 3.073 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)cc1F)c1ccccn1 ZINC000294751407 199165658 /nfs/dbraw/zinc/16/56/58/199165658.db2.gz IHHVAKBGSRNRQM-UHFFFAOYSA-N 0 3 283.350 3.160 20 30 CGEDHN C[C@]12CCN(Cc3ccc(C#N)cc3)C[C@H]1C2(F)F ZINC000298229213 200366642 /nfs/dbraw/zinc/36/66/42/200366642.db2.gz HDYPISJTWPRCHA-KGLIPLIRSA-N 0 3 262.303 3.035 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C12CCCC2 ZINC000176979277 189017983 /nfs/dbraw/zinc/01/79/83/189017983.db2.gz MTYZOWRSNCTNLP-HUUCEWRRSA-N 0 3 290.432 3.447 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000176975949 189018116 /nfs/dbraw/zinc/01/81/16/189018116.db2.gz GKUXGQUPWZRXDJ-ZIAGYGMSSA-N 0 3 276.405 3.057 20 30 CGEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439455624 238256429 /nfs/dbraw/zinc/25/64/29/238256429.db2.gz VHGITEIHYLEAKI-CQSZACIVSA-N 0 3 292.810 3.460 20 30 CGEDHN C[C@H](CN1CCCCC1)Nc1c(Cl)cccc1C#N ZINC000301495625 201030659 /nfs/dbraw/zinc/03/06/59/201030659.db2.gz ATYVPYCOEBWSCT-GFCCVEGCSA-N 0 3 277.799 3.498 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000184274547 189381370 /nfs/dbraw/zinc/38/13/70/189381370.db2.gz QLRUKTXCYCSZIC-MRXNPFEDSA-N 0 3 298.386 3.209 20 30 CGEDHN C=CC[C@@H](CO)NCc1cccc(Cl)c1Cl ZINC000184285577 189381980 /nfs/dbraw/zinc/38/19/80/189381980.db2.gz OKPXEZBMAUFTGZ-JTQLQIEISA-N 0 3 260.164 3.020 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCCN2CCCC[C@@H]2C)c1 ZINC000302086547 201337194 /nfs/dbraw/zinc/33/71/94/201337194.db2.gz FEQPRTXHQLTASN-AWEZNQCLSA-N 0 3 299.418 3.437 20 30 CGEDHN CC1CCC(N(C)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000119880903 370718731 /nfs/dbraw/zinc/71/87/31/370718731.db2.gz FWAIYLNERVREKG-UHFFFAOYSA-N 0 3 282.391 3.216 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)C1CCCCC1 ZINC000120559320 370780756 /nfs/dbraw/zinc/78/07/56/370780756.db2.gz CITXJMVBTWJUPJ-UHFFFAOYSA-N 0 3 258.365 3.331 20 30 CGEDHN CCC[C@@H](NCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000451442682 240304902 /nfs/dbraw/zinc/30/49/02/240304902.db2.gz WXEQGWRPMKRHCU-GFCCVEGCSA-N 0 3 293.436 3.363 20 30 CGEDHN CO[C@@H]1C[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000451856677 240372548 /nfs/dbraw/zinc/37/25/48/240372548.db2.gz SZOKHPONIWSSTC-HZPDHXFCSA-N 0 3 288.366 3.087 20 30 CGEDHN Cc1ccc(C#N)cc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000275624704 193089013 /nfs/dbraw/zinc/08/90/13/193089013.db2.gz SNCOPZDRQOEQAI-HZSPNIEDSA-N 0 3 285.391 3.067 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2OC(F)F)c(F)c1 ZINC000337286075 376192079 /nfs/dbraw/zinc/19/20/79/376192079.db2.gz KJFUFDMDVHVVDK-KGLIPLIRSA-N 0 3 298.308 3.337 20 30 CGEDHN C=C(Cl)CN(C)C1CCN(Cc2ccccc2)CC1 ZINC000121625481 370880329 /nfs/dbraw/zinc/88/03/29/370880329.db2.gz ZEYYVFRRVJMYPG-UHFFFAOYSA-N 0 3 278.827 3.335 20 30 CGEDHN Cc1cc(CN[C@H](C)c2cccnc2)ccc1C#N ZINC000488135666 243509523 /nfs/dbraw/zinc/50/95/23/243509523.db2.gz FKXGEWYEELJOOG-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN C=CCC[C@@H](NC(=O)CN(CC)CC)c1ccccc1 ZINC000123063590 370910421 /nfs/dbraw/zinc/91/04/21/370910421.db2.gz QUAAFZNRVXACHC-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1cccc(C#N)c1 ZINC000038009701 369139100 /nfs/dbraw/zinc/13/91/00/369139100.db2.gz WVHJEINHSDVASI-DYVFJYSZSA-N 0 3 278.355 3.213 20 30 CGEDHN C=C[C@](C)(CC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000276271536 193266505 /nfs/dbraw/zinc/26/65/05/193266505.db2.gz ZKMUQPDMFANDSD-MRXNPFEDSA-N 0 3 260.381 3.289 20 30 CGEDHN C=C(C)CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899463 369708695 /nfs/dbraw/zinc/70/86/95/369708695.db2.gz XWAOIQIODUZUPG-AWEZNQCLSA-N 0 3 259.349 3.171 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CC[C@H](SCC)C1 ZINC000076069580 369928759 /nfs/dbraw/zinc/92/87/59/369928759.db2.gz DCLVGXGKQNKJRM-GJZGRUSLSA-N 0 3 298.496 3.017 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000090884022 370070095 /nfs/dbraw/zinc/07/00/95/370070095.db2.gz ZADPSYOQIFTWBV-AWEZNQCLSA-N 0 3 293.407 3.256 20 30 CGEDHN C[C@@H](NCCOc1ccccc1)c1ccc(C#N)cc1F ZINC000512642726 245046422 /nfs/dbraw/zinc/04/64/22/245046422.db2.gz RZFLGEUOBXFDLH-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN C=CC[C@H](C)NCc1cccc(OC)c1OC(F)F ZINC000116927485 370575092 /nfs/dbraw/zinc/57/50/92/370575092.db2.gz XEKXHTDGVHNLJU-JTQLQIEISA-N 0 3 271.307 3.351 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(n2ccnc2)CC1 ZINC000118399264 370613757 /nfs/dbraw/zinc/61/37/57/370613757.db2.gz TYVNOGAOWKHSJW-CQSZACIVSA-N 0 3 280.375 3.153 20 30 CGEDHN C=C[C@@H](CC(=O)N(CCC)CCN(C)C)c1ccccc1 ZINC000130246820 371020494 /nfs/dbraw/zinc/02/04/94/371020494.db2.gz JQSYLICSPLCNRT-INIZCTEOSA-N 0 3 288.435 3.147 20 30 CGEDHN CCCCN(Cc1cc(C#N)ccc1OC)C1CC1 ZINC000130425014 371033105 /nfs/dbraw/zinc/03/31/05/371033105.db2.gz NVSBTUDFBMBXIH-UHFFFAOYSA-N 0 3 258.365 3.331 20 30 CGEDHN Cc1cncc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000131104599 371083117 /nfs/dbraw/zinc/08/31/17/371083117.db2.gz ZXZNDLHWFHPUMI-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN C[C@H](C[C@@H](O)c1cccs1)NCc1ccc(C#N)cc1 ZINC000131216386 371090946 /nfs/dbraw/zinc/09/09/46/371090946.db2.gz YUZQXWUQZAHNCD-IUODEOHRSA-N 0 3 286.400 3.222 20 30 CGEDHN N#Cc1ccccc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134888177 371371730 /nfs/dbraw/zinc/37/17/30/371371730.db2.gz NLJQRILGQRGQOP-IEBWSBKVSA-N 0 3 295.430 3.007 20 30 CGEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1OCC ZINC000137439407 371497518 /nfs/dbraw/zinc/49/75/18/371497518.db2.gz CZWXXXPJFSJVGX-UHFFFAOYSA-N 0 3 288.391 3.088 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(SC(F)F)cc1 ZINC000290009807 371878417 /nfs/dbraw/zinc/87/84/17/371878417.db2.gz ZRCOSDFFHGOSGL-MWLCHTKSSA-N 0 3 273.348 3.199 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000154382371 371842263 /nfs/dbraw/zinc/84/22/63/371842263.db2.gz FFNJLGFIOYQLMZ-UHFFFAOYSA-N 0 3 270.376 3.115 20 30 CGEDHN Cc1nc(CN)ccc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000422977665 371899850 /nfs/dbraw/zinc/89/98/50/371899850.db2.gz XEOYWBDJRYDRRG-CHWSQXEVSA-N 0 3 294.402 3.132 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1CCCC[C@H]1C ZINC000157460979 372021821 /nfs/dbraw/zinc/02/18/21/372021821.db2.gz IQBKVDQYIQLILK-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1CCCC[C@@H]1C ZINC000157461127 372022172 /nfs/dbraw/zinc/02/21/72/372022172.db2.gz IQBKVDQYIQLILK-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000424750218 372097189 /nfs/dbraw/zinc/09/71/89/372097189.db2.gz KLOGMSXTXKIPHC-CVEARBPZSA-N 0 3 286.419 3.150 20 30 CGEDHN C=C(C)CN(CC)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000158991621 372097459 /nfs/dbraw/zinc/09/74/59/372097459.db2.gz XEVRJURMIJCFQC-UHFFFAOYSA-N 0 3 259.353 3.376 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OCCOC)cc1 ZINC000159009952 372098831 /nfs/dbraw/zinc/09/88/31/372098831.db2.gz UDVUAFUUWARJMR-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C(#Cc1ccccc1)CN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425545949 372132410 /nfs/dbraw/zinc/13/24/10/372132410.db2.gz DNFVAQWEBCWEAK-IBGZPJMESA-N 0 3 295.426 3.319 20 30 CGEDHN C#CCCOc1ccc(CN(C(C)C)[C@H]2CCOC2)cc1 ZINC000291233565 372143756 /nfs/dbraw/zinc/14/37/56/372143756.db2.gz KOFIDKONRXFERB-KRWDZBQOSA-N 0 3 287.403 3.088 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 ZINC000291654781 372172973 /nfs/dbraw/zinc/17/29/73/372172973.db2.gz DGPHIMWHTGDMMS-SJCJKPOMSA-N 0 3 298.411 3.412 20 30 CGEDHN C=CCCCN(CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000425518673 372130552 /nfs/dbraw/zinc/13/05/52/372130552.db2.gz ZSMYOAYRJFLAED-HNNXBMFYSA-N 0 3 253.386 3.006 20 30 CGEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)nc2)CN1Cc1ccccc1 ZINC000160946739 372291294 /nfs/dbraw/zinc/29/12/94/372291294.db2.gz CDJFPKIOTQYESY-KDOFPFPSSA-N 0 3 292.386 3.028 20 30 CGEDHN Cc1ccsc1[C@H](CO)N[C@@H](C)c1cccc(C#N)c1 ZINC000344292857 217135759 /nfs/dbraw/zinc/13/57/59/217135759.db2.gz PYTQLVVONOMLAD-WFASDCNBSA-N 0 3 286.400 3.312 20 30 CGEDHN CCOc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000429724287 372377377 /nfs/dbraw/zinc/37/73/77/372377377.db2.gz WNFRDMJWWRQURN-LSDHHAIUSA-N 0 3 258.365 3.209 20 30 CGEDHN N#CCC1(CNCc2ccc(OC(F)F)cc2)CC1 ZINC000430032669 372381387 /nfs/dbraw/zinc/38/13/87/372381387.db2.gz CXYFCPQLHAVMTQ-UHFFFAOYSA-N 0 3 266.291 3.071 20 30 CGEDHN COc1ccc(CNCC2(CC#N)CC2)cc1OC(F)F ZINC000430077275 372383389 /nfs/dbraw/zinc/38/33/89/372383389.db2.gz LMNXUGNSCMDPAA-UHFFFAOYSA-N 0 3 296.317 3.080 20 30 CGEDHN Cc1cccc(NC(=O)C[C@@H](C)NCC2(CC#N)CC2)c1C ZINC000430740306 372393304 /nfs/dbraw/zinc/39/33/04/372393304.db2.gz JSVXPKSWXCIASZ-CQSZACIVSA-N 0 3 299.418 3.304 20 30 CGEDHN C=CCC(C)(C)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000293772844 372476590 /nfs/dbraw/zinc/47/65/90/372476590.db2.gz SHZJRKDWRAMFFI-AWEZNQCLSA-N 0 3 270.380 3.086 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344370236 217172652 /nfs/dbraw/zinc/17/26/52/217172652.db2.gz QSCHYWHWYCFSJV-HOTGVXAUSA-N 0 3 290.382 3.333 20 30 CGEDHN CO[C@@]1(C)C[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344374204 217174636 /nfs/dbraw/zinc/17/46/36/217174636.db2.gz KWJQCFBXSMYVKM-RDJZCZTQSA-N 0 3 290.382 3.333 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000432093881 372535484 /nfs/dbraw/zinc/53/54/84/372535484.db2.gz SEBXHTILKFPKKW-GJZGRUSLSA-N 0 3 295.471 3.151 20 30 CGEDHN CCCN(CC1CC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433114787 372581822 /nfs/dbraw/zinc/58/18/22/372581822.db2.gz OBYUFUMKVAVWGP-KRWDZBQOSA-N 0 3 284.403 3.408 20 30 CGEDHN CN(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433131961 372581989 /nfs/dbraw/zinc/58/19/89/372581989.db2.gz WEXKOUGIUJPDQV-GOSISDBHSA-N 0 3 292.382 3.418 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1 ZINC000433103039 372582208 /nfs/dbraw/zinc/58/22/08/372582208.db2.gz HSITZBWMIVJVSR-QGZVFWFLSA-N 0 3 278.355 3.075 20 30 CGEDHN C[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)O1 ZINC000294971420 372682712 /nfs/dbraw/zinc/68/27/12/372682712.db2.gz FPPVIMJSPJDKNC-XUJVJEKNSA-N 0 3 297.320 3.212 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccsc1Cl ZINC000435738874 372800098 /nfs/dbraw/zinc/80/00/98/372800098.db2.gz DCVJFHPCMBTLJG-JQWIXIFHSA-N 0 3 271.813 3.472 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(OC)cc1Cl ZINC000435740598 372800198 /nfs/dbraw/zinc/80/01/98/372800198.db2.gz FKTPVSVJMRDTTL-CJNGLKHVSA-N 0 3 295.810 3.419 20 30 CGEDHN C=CCCCN(C)Cc1ccc(OC)c(OC)c1OC ZINC000172173404 372918036 /nfs/dbraw/zinc/91/80/36/372918036.db2.gz CMQXTANSSWOIQR-UHFFFAOYSA-N 0 3 279.380 3.110 20 30 CGEDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)o1 ZINC000438482771 372962035 /nfs/dbraw/zinc/96/20/35/372962035.db2.gz YVYBERVHSSRKHW-LLVKDONJSA-N 0 3 260.259 3.218 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCc1ccccc1O ZINC000442902591 373125929 /nfs/dbraw/zinc/12/59/29/373125929.db2.gz WMXPPPVRJCGLCM-AWEZNQCLSA-N 0 3 280.371 3.499 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000442903198 373125972 /nfs/dbraw/zinc/12/59/72/373125972.db2.gz XXTRCWZWGMTORW-KBRIMQKVSA-N 0 3 286.419 3.348 20 30 CGEDHN N#Cc1ccc(CNCCCCOc2ccc(F)cc2)o1 ZINC000174264927 373278569 /nfs/dbraw/zinc/27/85/69/373278569.db2.gz JLKGIYUJHSRSDF-UHFFFAOYSA-N 0 3 288.322 3.239 20 30 CGEDHN C[C@H](Cc1ccccc1F)NCc1ccc(C#N)o1 ZINC000174298042 373286062 /nfs/dbraw/zinc/28/60/62/373286062.db2.gz WAHVBWJZGXRQIJ-LLVKDONJSA-N 0 3 258.296 3.011 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)o1)Sc1ccccc1 ZINC000174608182 373344925 /nfs/dbraw/zinc/34/49/25/373344925.db2.gz MOTWCIHHEOTYJV-LBPRGKRZSA-N 0 3 272.373 3.422 20 30 CGEDHN C=CC[C@@H]1N(Cc2ccc(C(=O)OC)[nH]2)CCCC1(C)C ZINC000446828997 373367150 /nfs/dbraw/zinc/36/71/50/373367150.db2.gz BWQCKOJOUUNICP-HNNXBMFYSA-N 0 3 290.407 3.368 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000298761158 373403274 /nfs/dbraw/zinc/40/32/74/373403274.db2.gz KQTKJWQEJWNKJA-MRXNPFEDSA-N 0 3 251.333 3.223 20 30 CGEDHN Cc1cscc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000175083336 373406521 /nfs/dbraw/zinc/40/65/21/373406521.db2.gz LKUBEEUYUZKUDL-LLVKDONJSA-N 0 3 295.367 3.433 20 30 CGEDHN Cc1cscc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000175083336 373406529 /nfs/dbraw/zinc/40/65/29/373406529.db2.gz LKUBEEUYUZKUDL-LLVKDONJSA-N 0 3 295.367 3.433 20 30 CGEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000353623281 220198602 /nfs/dbraw/zinc/19/86/02/220198602.db2.gz BDLWKBMJUXVFLR-ZDUSSCGKSA-N 0 3 291.354 3.289 20 30 CGEDHN CC[C@H](NCc1ccc(OC)nc1)c1ccc(C#N)cc1 ZINC000447526026 373444158 /nfs/dbraw/zinc/44/41/58/373444158.db2.gz BYCPGIBITQGXJR-INIZCTEOSA-N 0 3 281.359 3.203 20 30 CGEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000353623280 220200140 /nfs/dbraw/zinc/20/01/40/220200140.db2.gz BDLWKBMJUXVFLR-CYBMUJFWSA-N 0 3 291.354 3.289 20 30 CGEDHN CCN(C[C@@H]1CCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299074826 373456073 /nfs/dbraw/zinc/45/60/73/373456073.db2.gz QECBOIDPCJJCTR-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000448641479 373630095 /nfs/dbraw/zinc/63/00/95/373630095.db2.gz XNDIGTDPCYRMDU-INIZCTEOSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CCC1(C(=O)NC[C@H](C)N(C)C2CC2)CCCCC1 ZINC000448891174 373648260 /nfs/dbraw/zinc/64/82/60/373648260.db2.gz PYAZYBSTPDXDDL-AWEZNQCLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000448919418 373650264 /nfs/dbraw/zinc/65/02/64/373650264.db2.gz ASJBBOMHLWSETN-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCSCCNCc1ccnn1C1CCCC1 ZINC000449131049 373664205 /nfs/dbraw/zinc/66/42/05/373664205.db2.gz JUHHVILTKOWGGB-UHFFFAOYSA-N 0 3 265.426 3.007 20 30 CGEDHN C[C@H](CNc1ccc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000301153020 373677680 /nfs/dbraw/zinc/67/76/80/373677680.db2.gz QAGPEQMXBPQPIP-CHWSQXEVSA-N 0 3 275.371 3.230 20 30 CGEDHN C=CC(C)(C)CNCc1cnn(-c2ccc(F)cc2)c1 ZINC000449486629 373775580 /nfs/dbraw/zinc/77/55/80/373775580.db2.gz TYCCLYLCQKIIPO-UHFFFAOYSA-N 0 3 273.355 3.313 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OC)C(C)(C)C2)cc1 ZINC000449505279 373804137 /nfs/dbraw/zinc/80/41/37/373804137.db2.gz WUXZBOBZQRLZHQ-KRWDZBQOSA-N 0 3 289.419 3.498 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1coc2ccccc12 ZINC000449549587 373831454 /nfs/dbraw/zinc/83/14/54/373831454.db2.gz ZIKFFXDWLVLMRX-CABCVRRESA-N 0 3 257.333 3.256 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OC)[C@H](C)C2)cc1 ZINC000449491898 373781664 /nfs/dbraw/zinc/78/16/64/373781664.db2.gz BAFLLGXJKGUZGW-PBHICJAKSA-N 0 3 275.392 3.108 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](COC)CC1 ZINC000449773513 373900704 /nfs/dbraw/zinc/90/07/04/373900704.db2.gz IOPQPBHIFAPIAS-INIZCTEOSA-N 0 3 289.419 3.500 20 30 CGEDHN C=C(CC)CNCc1ccc(OCC(F)F)cc1 ZINC000449732077 373857956 /nfs/dbraw/zinc/85/79/56/373857956.db2.gz KVOZYQBRJQFBLO-UHFFFAOYSA-N 0 3 255.308 3.386 20 30 CGEDHN Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)nc1C#N ZINC000302716205 373938981 /nfs/dbraw/zinc/93/89/81/373938981.db2.gz NFBNMZMLBMWUEI-HNNXBMFYSA-N 0 3 296.374 3.104 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cccc(Br)c1 ZINC000303548285 374021144 /nfs/dbraw/zinc/02/11/44/374021144.db2.gz LXWDZCFYWPYJRM-NSHDSACASA-N 0 3 284.197 3.302 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1ccccc1F ZINC000181025788 374070361 /nfs/dbraw/zinc/07/03/61/374070361.db2.gz MSUDBDUIJUNJMP-OAHLLOKOSA-N 0 3 251.345 3.459 20 30 CGEDHN C=CCN(CCO[C@H]1CCCCO1)CCc1ccccc1 ZINC000181662957 374151375 /nfs/dbraw/zinc/15/13/75/374151375.db2.gz OLGQWUFLFKTJLV-SFHVURJKSA-N 0 3 289.419 3.260 20 30 CGEDHN CC(C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000307783995 374153008 /nfs/dbraw/zinc/15/30/08/374153008.db2.gz XCXCGHHVVLSXEX-GOEBONIOSA-N 0 3 299.418 3.253 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1csc(Cl)c1 ZINC000309569550 374188120 /nfs/dbraw/zinc/18/81/20/374188120.db2.gz NGKBSXMURLDMBD-NXEZZACHSA-N 0 3 259.802 3.237 20 30 CGEDHN CCN(Cc1cc(C#N)ccc1OC)CC(C)(C)C ZINC000311786505 374255451 /nfs/dbraw/zinc/25/54/51/374255451.db2.gz JOWXKLOKEFSNFY-UHFFFAOYSA-N 0 3 260.381 3.435 20 30 CGEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000329772536 374428471 /nfs/dbraw/zinc/42/84/71/374428471.db2.gz HMSPWTBTOIQKSH-UNEWFSDZSA-N 0 3 289.423 3.290 20 30 CGEDHN OCC[C@@H](NCC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000183725992 374447005 /nfs/dbraw/zinc/44/70/05/374447005.db2.gz LXQBAGVPLGDTDV-GOSISDBHSA-N 0 3 289.394 3.098 20 30 CGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332105415 374553367 /nfs/dbraw/zinc/55/33/67/374553367.db2.gz HQELWPCVDDHPBB-IUODEOHRSA-N 0 3 296.374 3.371 20 30 CGEDHN N#Cc1csc(CN2CCC3(CCOCC3)CC2)c1 ZINC000334197967 206178856 /nfs/dbraw/zinc/17/88/56/206178856.db2.gz OBEWYZFCZJBKGR-UHFFFAOYSA-N 0 3 276.405 3.012 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000185190576 374605008 /nfs/dbraw/zinc/60/50/08/374605008.db2.gz RDBSVPXEUGSTQQ-DLBZAZTESA-N 0 3 290.382 3.381 20 30 CGEDHN N#Cc1cccc(CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000185482138 374671044 /nfs/dbraw/zinc/67/10/44/374671044.db2.gz IYGXELXHMXCREP-UHFFFAOYSA-N 0 3 292.382 3.042 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC2(c3ccc(F)cc3)CC2)C1 ZINC000334570643 374871629 /nfs/dbraw/zinc/87/16/29/374871629.db2.gz KZIMTXWVIAHPKC-DOMZBBRYSA-N 0 3 258.340 3.487 20 30 CGEDHN N#CCC1CCN(c2ccnc3ccccc32)CC1 ZINC000334553494 374850894 /nfs/dbraw/zinc/85/08/94/374850894.db2.gz LAONUOLKOZJLTJ-UHFFFAOYSA-N 0 3 251.333 3.365 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](CC(C)C)C1 ZINC000466735193 374969304 /nfs/dbraw/zinc/96/93/04/374969304.db2.gz ABHFIFKFTACGCX-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)[C@@H](NC[C@@H](C)OC)c1ccc(F)c(F)c1 ZINC000187790319 375094844 /nfs/dbraw/zinc/09/48/44/375094844.db2.gz RWYPRILSHXHCLT-QMTHXVAHSA-N 0 3 255.308 3.207 20 30 CGEDHN C=CCOc1ccccc1CNc1nc2ccc(F)cc2[nH]1 ZINC000485951442 375194898 /nfs/dbraw/zinc/19/48/98/375194898.db2.gz NJKIRQVDFHOPHF-UHFFFAOYSA-N 0 3 297.333 3.301 20 30 CGEDHN C=CCC1(C(=O)Nc2cccc(CN(C)C)c2)CCC1 ZINC000188530310 375226943 /nfs/dbraw/zinc/22/69/43/375226943.db2.gz DETWHXKYDIRZLB-UHFFFAOYSA-N 0 3 272.392 3.433 20 30 CGEDHN C=C(C)[C@@H](NC[C@@H](C)COC)c1ccc(F)c(F)c1 ZINC000188558068 375230220 /nfs/dbraw/zinc/23/02/20/375230220.db2.gz NUXKKKDWYNIMQJ-IAQYHMDHSA-N 0 3 269.335 3.454 20 30 CGEDHN COCCN(CC#Cc1ccc(F)cc1)[C@@H]1CCC[C@@H]1C ZINC000487946701 375288217 /nfs/dbraw/zinc/28/82/17/375288217.db2.gz BXPRTCQUXZGWBY-MAUKXSAKSA-N 0 3 289.394 3.314 20 30 CGEDHN COCCN(Cc1cccc(C#N)c1F)[C@H]1CCC[C@@H]1C ZINC000487981049 375290321 /nfs/dbraw/zinc/29/03/21/375290321.db2.gz NAAMWSXDBIKUIV-BBRMVZONSA-N 0 3 290.382 3.334 20 30 CGEDHN C=CCC1(C(=O)NCc2ccccc2CN(C)C)CCC1 ZINC000191159342 375587277 /nfs/dbraw/zinc/58/72/77/375587277.db2.gz QBEJOJVGOHBFAA-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCc2ccccc21 ZINC000191207802 375594895 /nfs/dbraw/zinc/59/48/95/375594895.db2.gz ZPUKJOGLZCNNPD-QGZVFWFLSA-N 0 3 265.360 3.016 20 30 CGEDHN Cn1cc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1C#N ZINC000190896450 375547120 /nfs/dbraw/zinc/54/71/20/375547120.db2.gz WQVVVVZUHFDNHD-MRXNPFEDSA-N 0 3 285.778 3.327 20 30 CGEDHN CC[C@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(C)c1 ZINC000191291588 375606040 /nfs/dbraw/zinc/60/60/40/375606040.db2.gz YNQQIAIACPSMSD-QGZVFWFLSA-N 0 3 297.402 3.152 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N(CCC)CCN1CCCC1 ZINC000501546434 375639001 /nfs/dbraw/zinc/63/90/01/375639001.db2.gz YRSUWIFEHOVAOA-MRXNPFEDSA-N 0 3 295.471 3.249 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N(CCC)CCN1CCCC1 ZINC000501546433 375639350 /nfs/dbraw/zinc/63/93/50/375639350.db2.gz YRSUWIFEHOVAOA-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN Cc1ccc2c(c1)[C@H](NCc1cc(C#N)n(C)c1)[C@@H](C)C2 ZINC000191576810 375641112 /nfs/dbraw/zinc/64/11/12/375641112.db2.gz QQIRXPAPBXCSKJ-SCLBCKFNSA-N 0 3 279.387 3.228 20 30 CGEDHN CC(C)c1ccc(C[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000501656254 375641237 /nfs/dbraw/zinc/64/12/37/375641237.db2.gz OTHLSNLSEBNOMC-CHWSQXEVSA-N 0 3 258.365 3.017 20 30 CGEDHN C=C(C)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192087305 375698362 /nfs/dbraw/zinc/69/83/62/375698362.db2.gz LNJQHOBHHRXENY-ZIAGYGMSSA-N 0 3 269.747 3.475 20 30 CGEDHN Cc1cnc(CCN(C)Cc2ccc(C#N)c(F)c2)s1 ZINC000192130147 375700893 /nfs/dbraw/zinc/70/08/93/375700893.db2.gz ARBKXUDIOPBKLQ-UHFFFAOYSA-N 0 3 289.379 3.137 20 30 CGEDHN C[C@@H](CN(C)Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192176059 375706527 /nfs/dbraw/zinc/70/65/27/375706527.db2.gz VNQFHZSOUJWUOX-NSHDSACASA-N 0 3 289.379 3.389 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000192195540 375710812 /nfs/dbraw/zinc/71/08/12/375710812.db2.gz HGJHFDBXZFNSNW-DLBZAZTESA-N 0 3 290.382 3.381 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000192374296 375740285 /nfs/dbraw/zinc/74/02/85/375740285.db2.gz KQBUEYSMGXBQQE-YOEHRIQHSA-N 0 3 282.343 3.019 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000336166260 375742517 /nfs/dbraw/zinc/74/25/17/375742517.db2.gz SGHYZSYDWVQTLF-KSSFIOAISA-N 0 3 282.387 3.043 20 30 CGEDHN C[C@H]1CSC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000512161993 375795116 /nfs/dbraw/zinc/79/51/16/375795116.db2.gz IMGWIXWTCSYLMD-FZMZJTMJSA-N 0 3 265.809 3.033 20 30 CGEDHN C=C(C)CCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000510747318 375788676 /nfs/dbraw/zinc/78/86/76/375788676.db2.gz DENLXJMLFIDHEL-UHFFFAOYSA-N 0 3 293.382 3.396 20 30 CGEDHN N#CCCCN1CCC(OCC2CCCCC2)CC1 ZINC000525784927 375885328 /nfs/dbraw/zinc/88/53/28/375885328.db2.gz ICWJMEWIHXVGMO-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN CC(C)[C@@H]1CN(CCCC#N)CCN1Cc1ccccc1 ZINC000528641078 375907258 /nfs/dbraw/zinc/90/72/58/375907258.db2.gz RSCNAZHBUJROTL-SFHVURJKSA-N 0 3 285.435 3.133 20 30 CGEDHN C=CCOc1ccccc1CNCCSC(C)C ZINC000336791471 375941682 /nfs/dbraw/zinc/94/16/82/375941682.db2.gz NPIDIHCLSFFIPJ-UHFFFAOYSA-N 0 3 265.422 3.483 20 30 CGEDHN CC(C)(C#N)CCCN[C@H](CO)c1cccc(Cl)c1F ZINC000337222364 376148351 /nfs/dbraw/zinc/14/83/51/376148351.db2.gz LVZAOKMBMJYDSG-CYBMUJFWSA-N 0 3 298.789 3.432 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337278820 376187582 /nfs/dbraw/zinc/18/75/82/376187582.db2.gz HSNJJSABYSCMJF-NEPJUHHUSA-N 0 3 286.347 3.260 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000337401999 376219200 /nfs/dbraw/zinc/21/92/00/376219200.db2.gz DFCLYSYIMANUIF-CQSZACIVSA-N 0 3 277.412 3.242 20 30 CGEDHN CC[C@H](C)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000337447897 376222337 /nfs/dbraw/zinc/22/23/37/376222337.db2.gz DAJULFWYWLIUKC-XJKSGUPXSA-N 0 3 291.826 3.321 20 30 CGEDHN C=C(CC)CN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000337503039 376225614 /nfs/dbraw/zinc/22/56/14/376225614.db2.gz XCWOWICDAPBIPR-QGZVFWFLSA-N 0 3 282.387 3.145 20 30 CGEDHN C[C@@H](NCCN(C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000538508771 376246282 /nfs/dbraw/zinc/24/62/82/376246282.db2.gz CVLMCXKAWLYARU-CQSZACIVSA-N 0 3 297.377 3.484 20 30 CGEDHN C[C@H](C#N)CN(C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000338286610 376314344 /nfs/dbraw/zinc/31/43/44/376314344.db2.gz NJSHKNHBKDDYQS-VXGBXAGGSA-N 0 3 256.340 3.436 20 30 CGEDHN C=CCc1cc(CN2C[C@H](C)C[C@@H]2C)cc(OC)c1O ZINC000539837887 376339217 /nfs/dbraw/zinc/33/92/17/376339217.db2.gz BHXONIXLPVXZCZ-OLZOCXBDSA-N 0 3 275.392 3.360 20 30 CGEDHN COc1cc(C)c(CN2CCC(CC#N)CC2)cc1OC ZINC000540995125 376412205 /nfs/dbraw/zinc/41/22/05/376412205.db2.gz NYEOVWXYMMMQLX-UHFFFAOYSA-N 0 3 288.391 3.138 20 30 CGEDHN COc1ccc(C2CCC(NC[C@H](C)C#N)CC2)cc1 ZINC000541763442 376478386 /nfs/dbraw/zinc/47/83/86/376478386.db2.gz LAHBHENSVPGBQX-VQCLRJIVSA-N 0 3 272.392 3.471 20 30 CGEDHN CC[C@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000263164938 190066884 /nfs/dbraw/zinc/06/68/84/190066884.db2.gz PUPGYDGNUBCNIT-CYBMUJFWSA-N 0 3 254.333 3.435 20 30 CGEDHN CCCCN(Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000233056073 376594617 /nfs/dbraw/zinc/59/46/17/376594617.db2.gz KPAPRTOLXWATII-UHFFFAOYSA-N 0 3 258.365 3.331 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1ccc(C#N)c(OC)c1 ZINC000234024871 376609359 /nfs/dbraw/zinc/60/93/59/376609359.db2.gz OHNWQOVNTSYPHC-CQSZACIVSA-N 0 3 278.421 3.140 20 30 CGEDHN COc1cc(CN[C@@H](C)c2cccs2)ccc1C#N ZINC000234939281 376624283 /nfs/dbraw/zinc/62/42/83/376624283.db2.gz FILCSXJZBKLDMX-NSHDSACASA-N 0 3 272.373 3.479 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(F)c(C#N)c1 ZINC000235227833 376635130 /nfs/dbraw/zinc/63/51/30/376635130.db2.gz RCXDJZNIASELMM-CJNGLKHVSA-N 0 3 290.382 3.213 20 30 CGEDHN CS[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC000543412020 376636903 /nfs/dbraw/zinc/63/69/03/376636903.db2.gz AWIGALXCPATMIL-LBPRGKRZSA-N 0 3 268.451 3.487 20 30 CGEDHN N#CCCCOc1cccc(CN[C@@H]2CCC[C@H]2F)c1 ZINC000339588094 376763472 /nfs/dbraw/zinc/76/34/72/376763472.db2.gz VWPAGBAOJHYKAT-HZPDHXFCSA-N 0 3 276.355 3.349 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CCC[C@H]2F)cc1OC ZINC000339585002 376764066 /nfs/dbraw/zinc/76/40/66/376764066.db2.gz RJJPWLFMXWYNPJ-KGLIPLIRSA-N 0 3 279.355 3.240 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000245956988 376942174 /nfs/dbraw/zinc/94/21/74/376942174.db2.gz UFBFWZSJPFQMLW-GDBMZVCRSA-N 0 3 270.376 3.331 20 30 CGEDHN Cc1ccccc1[C@H]([C@H](C)NC[C@H](C#N)CCC#N)N(C)C ZINC000563003587 377385955 /nfs/dbraw/zinc/38/59/55/377385955.db2.gz UQNVTIGUXKEIMO-BQFCYCMXSA-N 0 3 298.434 3.019 20 30 CGEDHN N#Cc1cccc(C2(NC/C=C\c3ccncc3)CC2)c1 ZINC000341212853 377447650 /nfs/dbraw/zinc/44/76/50/377447650.db2.gz KZIDLUAYRLRNPU-RQOWECAXSA-N 0 3 275.355 3.245 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000249129231 377467216 /nfs/dbraw/zinc/46/72/16/377467216.db2.gz KOHSJNJWRUVOQN-KDOFPFPSSA-N 0 3 294.402 3.146 20 30 CGEDHN C=CC[C@H](CO)CNCc1cccc(Cl)c1Cl ZINC000341297906 377496401 /nfs/dbraw/zinc/49/64/01/377496401.db2.gz KGHUBLOWMHTNCS-JTQLQIEISA-N 0 3 274.191 3.268 20 30 CGEDHN CC(C)(CCC#N)CNCc1noc2ccccc21 ZINC000569238513 377528066 /nfs/dbraw/zinc/52/80/66/377528066.db2.gz MWUJPUPZBBQXIC-UHFFFAOYSA-N 0 3 257.337 3.247 20 30 CGEDHN N#CCCC1CCN(CCc2ccccc2F)CC1 ZINC000569689604 377529041 /nfs/dbraw/zinc/52/90/41/377529041.db2.gz NZJPUKPKWXXBED-UHFFFAOYSA-N 0 3 260.356 3.384 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000573643586 377558808 /nfs/dbraw/zinc/55/88/08/377558808.db2.gz GGJRHJPTDGZVBH-INIZCTEOSA-N 0 3 288.435 3.379 20 30 CGEDHN COc1ccc([C@H](C)[C@H](C)NCC2(C#N)CC2)cc1OC ZINC000574137967 377623394 /nfs/dbraw/zinc/62/33/94/377623394.db2.gz LDGUNZYWGBGLQI-OLZOCXBDSA-N 0 3 288.391 3.089 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H]2C(F)F)cc1OC ZINC000342227099 377635923 /nfs/dbraw/zinc/63/59/23/377635923.db2.gz XUBOBUNAYCWDAV-NWDGAFQWSA-N 0 3 283.318 3.003 20 30 CGEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)c1ccsc1 ZINC000343260950 377942647 /nfs/dbraw/zinc/94/26/47/377942647.db2.gz RMAGSOVYDMXHBT-CQSZACIVSA-N 0 3 291.445 3.074 20 30 CGEDHN C=CCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000263682518 377949860 /nfs/dbraw/zinc/94/98/60/377949860.db2.gz PCEKIMLYDQETEK-RDJZCZTQSA-N 0 3 284.403 3.096 20 30 CGEDHN CCCCCCCN(CCCO)Cc1ccccn1 ZINC000265672216 378006875 /nfs/dbraw/zinc/00/68/75/378006875.db2.gz DVVRLZWWLPLEPQ-UHFFFAOYSA-N 0 3 264.413 3.236 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccnn1-c1ccccc1 ZINC000343499382 377996863 /nfs/dbraw/zinc/99/68/63/377996863.db2.gz SWCSMJIFWNIFHD-CQSZACIVSA-N 0 3 280.375 3.217 20 30 CGEDHN CC(C#N)C(=O)NCCn1c2ccccc2c2ccccc21 ZINC000345428641 378281960 /nfs/dbraw/zinc/28/19/60/378281960.db2.gz XFPBCNSHPPNYEC-CYBMUJFWSA-N 0 3 291.354 3.070 20 30 CGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cn1)c1ccccc1 ZINC000580209187 378233600 /nfs/dbraw/zinc/23/36/00/378233600.db2.gz WYLIDYVEGOZYOB-AWEZNQCLSA-N 0 3 265.360 3.189 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ccc(CO)o1 ZINC000583309639 378320818 /nfs/dbraw/zinc/32/08/18/378320818.db2.gz NDZVLSYSWUMPGM-OAHLLOKOSA-N 0 3 271.360 3.049 20 30 CGEDHN C[C@H](NCc1ccc2cnn(C)c2c1)c1ccc(C#N)cc1 ZINC000583786189 378347088 /nfs/dbraw/zinc/34/70/88/378347088.db2.gz IREKWJNOWBWVLR-ZDUSSCGKSA-N 0 3 290.370 3.296 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618742678 378411034 /nfs/dbraw/zinc/41/10/34/378411034.db2.gz OYTPKXXUXWVPST-INIZCTEOSA-N 0 3 279.368 3.269 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000345778199 378367856 /nfs/dbraw/zinc/36/78/56/378367856.db2.gz LEZIRRVTYGHNSN-LLVKDONJSA-N 0 3 292.329 3.052 20 30 CGEDHN CC(C#N)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000345781541 378368029 /nfs/dbraw/zinc/36/80/29/378368029.db2.gz ALFDAGIWWHWPOP-NSHDSACASA-N 0 3 292.329 3.396 20 30 CGEDHN C=CCCCCN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000584094202 378374718 /nfs/dbraw/zinc/37/47/18/378374718.db2.gz DKWUFMZEHMIEEF-UHFFFAOYSA-N 0 3 265.353 3.163 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271932636 378522508 /nfs/dbraw/zinc/52/25/08/378522508.db2.gz ISUNJWLOIVTDSU-RISCZKNCSA-N 0 3 278.371 3.145 20 30 CGEDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346175008 378491083 /nfs/dbraw/zinc/49/10/83/378491083.db2.gz JFORUNJUVNTCBO-XFBWCDHKSA-N 0 3 276.355 3.306 20 30 CGEDHN COC(C)(C)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000346269224 378527256 /nfs/dbraw/zinc/52/72/56/378527256.db2.gz DKUFKGAHUFTCPC-UHFFFAOYSA-N 0 3 272.392 3.338 20 30 CGEDHN C[C@@H](NCCCNc1ccccn1)c1ccc(C#N)c(F)c1 ZINC000271952629 378528132 /nfs/dbraw/zinc/52/81/32/378528132.db2.gz OWTWWNIOQDBACP-CYBMUJFWSA-N 0 3 298.365 3.245 20 30 CGEDHN CC(C)[C@H](O)C1(CN[C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271987844 378539598 /nfs/dbraw/zinc/53/95/98/378539598.db2.gz YKVCTUIDURXAKQ-WBMJQRKESA-N 0 3 290.382 3.145 20 30 CGEDHN N#Cc1ccc(C2=CCN(CC[C@@H]3CCCO3)CC2)cc1 ZINC000346600191 378639823 /nfs/dbraw/zinc/63/98/23/378639823.db2.gz HALUSKWIALZJKF-SFHVURJKSA-N 0 3 282.387 3.216 20 30 CGEDHN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C(C)C#N)cc1 ZINC000346666560 378667930 /nfs/dbraw/zinc/66/79/30/378667930.db2.gz YMEPMHMDMJMLJP-LZWOXQAQSA-N 0 3 270.376 3.454 20 30 CGEDHN C[C@@]1(NCC#Cc2cccc(Cl)c2)CCO[C@H]1C1CC1 ZINC000273086708 378736429 /nfs/dbraw/zinc/73/64/29/378736429.db2.gz RTVYZXLSIWBMFG-DLBZAZTESA-N 0 3 289.806 3.239 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CCCO)CC1 ZINC000272775582 378702044 /nfs/dbraw/zinc/70/20/44/378702044.db2.gz CWWLTERMGZFTSJ-AWEZNQCLSA-N 0 3 272.392 3.104 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000348231730 378851254 /nfs/dbraw/zinc/85/12/54/378851254.db2.gz PFZDYQABYVXOSR-UHFFFAOYSA-N 0 3 294.398 3.364 20 30 CGEDHN C=CC[C@@H](C)NCc1nnn(-c2ccccc2)c1C1CC1 ZINC000638609451 378851577 /nfs/dbraw/zinc/85/15/77/378851577.db2.gz MGZOUFHUHGHUGH-CYBMUJFWSA-N 0 3 282.391 3.199 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000274977758 378924555 /nfs/dbraw/zinc/92/45/55/378924555.db2.gz BBFRFKOWZQIPCI-XJKSGUPXSA-N 0 3 280.375 3.222 20 30 CGEDHN CC(C)(CO)[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000348396753 378939614 /nfs/dbraw/zinc/93/96/14/378939614.db2.gz QYAPHQVSWDIYMF-SFHVURJKSA-N 0 3 294.398 3.408 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2ccccc2nc1C ZINC000639145938 379070783 /nfs/dbraw/zinc/07/07/83/379070783.db2.gz OGJPHUGYINUQJO-RDTXWAMCSA-N 0 3 297.402 3.009 20 30 CGEDHN C=CCn1cc(CN[C@H](C)[C@H]2CCC(C)=C(C)C2)nn1 ZINC000639273377 379219378 /nfs/dbraw/zinc/21/93/78/379219378.db2.gz CIKGCSISAYMPSD-CABCVRRESA-N 0 3 274.412 3.079 20 30 CGEDHN COc1ccc(CN2CCCC23CCC3)cc1C#N ZINC000373104188 379224442 /nfs/dbraw/zinc/22/44/42/379224442.db2.gz MLYHPMCQGSNFJI-UHFFFAOYSA-N 0 3 256.349 3.085 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2c3c(nn2C)CCCC3)C1 ZINC000639309458 379259111 /nfs/dbraw/zinc/25/91/11/379259111.db2.gz LSWMGQNWVSWRTH-AWEZNQCLSA-N 0 3 273.424 3.087 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000349417171 379272614 /nfs/dbraw/zinc/27/26/14/379272614.db2.gz PPBRHFRCWQUMEV-ZLDLUXBVSA-N 0 3 274.339 3.321 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000349814747 379396425 /nfs/dbraw/zinc/39/64/25/379396425.db2.gz WCGVPEUEFFCWGY-NWDGAFQWSA-N 0 3 284.281 3.367 20 30 CGEDHN CC[C@H](C)[C@@H](C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000347619029 218293530 /nfs/dbraw/zinc/29/35/30/218293530.db2.gz WJHIZMCGNBDLCW-NWDGAFQWSA-N 0 3 284.363 3.132 20 30 CGEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374482435 379446328 /nfs/dbraw/zinc/44/63/28/379446328.db2.gz RZQDVMHPAOBFMQ-OALUTQOASA-N 0 3 292.382 3.426 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000349833011 379412058 /nfs/dbraw/zinc/41/20/58/379412058.db2.gz XUPFKBUTJQQUHG-CHWSQXEVSA-N 0 3 298.308 3.410 20 30 CGEDHN C=CCN(Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000350269768 379532976 /nfs/dbraw/zinc/53/29/76/379532976.db2.gz RVCYJPSDZMRATE-UHFFFAOYSA-N 0 3 259.378 3.084 20 30 CGEDHN CC(C)(C#N)CCCCN1CCSC2(CCOCC2)C1 ZINC000375718673 379507084 /nfs/dbraw/zinc/50/70/84/379507084.db2.gz KGTXTQSVLYHXRF-UHFFFAOYSA-N 0 3 296.480 3.304 20 30 CGEDHN C=CCN(CC=C)Cc1ccccc1-c1ccnn1C ZINC000350148350 379520116 /nfs/dbraw/zinc/52/01/16/379520116.db2.gz RARLBFGCDRFOAG-UHFFFAOYSA-N 0 3 267.376 3.261 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC2(CC1)c1ccccc1N=C2C ZINC000639715662 379557999 /nfs/dbraw/zinc/55/79/99/379557999.db2.gz RDTYUODYSDNEKW-KRWDZBQOSA-N 0 3 284.403 3.063 20 30 CGEDHN C=CCCOCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280218810 379646077 /nfs/dbraw/zinc/64/60/77/379646077.db2.gz UOQDRUOPAGRLJM-HNNXBMFYSA-N 0 3 263.381 3.334 20 30 CGEDHN CCc1cc(CCCN(C)Cc2cccc(C#N)c2)on1 ZINC000347703894 218327594 /nfs/dbraw/zinc/32/75/94/218327594.db2.gz HWJQOPHHESEMHU-UHFFFAOYSA-N 0 3 283.375 3.173 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccoc2C(C)C)CC1 ZINC000280644695 379755402 /nfs/dbraw/zinc/75/54/02/379755402.db2.gz DSNKAOVZEAHYRT-UHFFFAOYSA-N 0 3 290.407 3.173 20 30 CGEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000351866762 379748346 /nfs/dbraw/zinc/74/83/46/379748346.db2.gz XQESQMFSOGROMN-SFHVURJKSA-N 0 3 298.430 3.002 20 30 CGEDHN CO[C@@]1(C)CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000280641108 379753485 /nfs/dbraw/zinc/75/34/85/379753485.db2.gz YGBYANHPDGJWON-KRWDZBQOSA-N 0 3 275.367 3.068 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccco3)C2)s1 ZINC000378347277 379808985 /nfs/dbraw/zinc/80/89/85/379808985.db2.gz VAYZYDUPDGGIPD-LLVKDONJSA-N 0 3 258.346 3.202 20 30 CGEDHN CN(C)C1(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000398006757 379926356 /nfs/dbraw/zinc/92/63/56/379926356.db2.gz WGDVASWSOILNRJ-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN C=CCCC[C@@H](C)n1cc(CCN2CCCCC2)nn1 ZINC000641234401 379968797 /nfs/dbraw/zinc/96/87/97/379968797.db2.gz GBMDETUFMAGWOZ-OAHLLOKOSA-N 0 3 276.428 3.224 20 30 CGEDHN CC[C@@H](CNCc1ccc(C#N)o1)CC(F)(F)F ZINC000402595030 379969431 /nfs/dbraw/zinc/96/94/31/379969431.db2.gz LPLIWSBMHVRNII-SECBINFHSA-N 0 3 260.259 3.219 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399682067 379942496 /nfs/dbraw/zinc/94/24/96/379942496.db2.gz RJHFKZONOYXHKO-XQQFMLRXSA-N 0 3 258.365 3.043 20 30 CGEDHN N#Cc1csc(CNC[C@H]2CCCc3ccccc32)n1 ZINC000352843121 379998295 /nfs/dbraw/zinc/99/82/95/379998295.db2.gz XRNGXKFILRXBPA-CYBMUJFWSA-N 0 3 283.400 3.224 20 30 CGEDHN N#Cc1csc(CNCC2CC(c3ccccc3)C2)n1 ZINC000352860313 380009576 /nfs/dbraw/zinc/00/95/76/380009576.db2.gz ANGVBRNQRQUUOL-UHFFFAOYSA-N 0 3 283.400 3.298 20 30 CGEDHN C=C(C)CNCc1cn(CC)nc1-c1ccccc1 ZINC000641754859 380080319 /nfs/dbraw/zinc/08/03/19/380080319.db2.gz YKOYWYQVCBZJNA-UHFFFAOYSA-N 0 3 255.365 3.236 20 30 CGEDHN COc1c(C)cc(CN(C)[C@H](C)CCC#N)cc1C ZINC000411224123 380137134 /nfs/dbraw/zinc/13/71/34/380137134.db2.gz IYBCRFXNUMWZBM-CQSZACIVSA-N 0 3 260.381 3.436 20 30 CGEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)cn2)CN1Cc1ccccc1 ZINC000268117794 190378039 /nfs/dbraw/zinc/37/80/39/190378039.db2.gz FFWQOAKVNKPKEE-WMLDXEAASA-N 0 3 292.386 3.028 20 30 CGEDHN Cc1cccnc1C(C)(C)CNCc1cc(C#N)cs1 ZINC000353100734 380116211 /nfs/dbraw/zinc/11/62/11/380116211.db2.gz AGVMLJPHCWABFY-UHFFFAOYSA-N 0 3 285.416 3.391 20 30 CGEDHN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000353260751 380194445 /nfs/dbraw/zinc/19/44/45/380194445.db2.gz GCBWRVHTKHFAJW-JKSUJKDBSA-N 0 3 272.392 3.196 20 30 CGEDHN CC(C)(CC#N)CN[C@@H](c1cccnc1)C1CCC1 ZINC000414162194 380195372 /nfs/dbraw/zinc/19/53/72/380195372.db2.gz GRPPBKLUFMGFFK-OAHLLOKOSA-N 0 3 257.381 3.452 20 30 CGEDHN COCCc1nc(C)c([C@@H](C)NCC(C)(C)CC#N)s1 ZINC000414160420 380195474 /nfs/dbraw/zinc/19/54/74/380195474.db2.gz CYJVOGQELYYEBS-LLVKDONJSA-N 0 3 295.452 3.231 20 30 CGEDHN C=C(C)CN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000353261823 380196118 /nfs/dbraw/zinc/19/61/18/380196118.db2.gz QYNMSMOZZTTWQM-AWEZNQCLSA-N 0 3 261.365 3.115 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCCc2ccc(O)cc21 ZINC000414166571 380196518 /nfs/dbraw/zinc/19/65/18/380196518.db2.gz NUFVBJIMUPEFBR-HNNXBMFYSA-N 0 3 258.365 3.299 20 30 CGEDHN C=CCOc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000353901327 380226494 /nfs/dbraw/zinc/22/64/94/380226494.db2.gz RBAGRRRJTLGWMD-UHFFFAOYSA-N 0 3 297.402 3.354 20 30 CGEDHN Cc1ncc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353915954 380232091 /nfs/dbraw/zinc/23/20/91/380232091.db2.gz OXCJLJFJZVFBKG-KRWDZBQOSA-N 0 3 280.375 3.310 20 30 CGEDHN CCC#C[C@H](C)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000643391196 380303756 /nfs/dbraw/zinc/30/37/56/380303756.db2.gz WWWIFSLLLOSOHG-PKOBYXMFSA-N 0 3 285.431 3.106 20 30 CGEDHN CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354460715 380448833 /nfs/dbraw/zinc/44/88/33/380448833.db2.gz FRHGFEOLHFXVNU-CQSZACIVSA-N 0 3 295.342 3.144 20 30 CGEDHN CC(C)(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354460715 380448838 /nfs/dbraw/zinc/44/88/38/380448838.db2.gz FRHGFEOLHFXVNU-CQSZACIVSA-N 0 3 295.342 3.144 20 30 CGEDHN COC1CCC(C)(CNCc2ccc(C#N)cc2F)CC1 ZINC000355170030 380607874 /nfs/dbraw/zinc/60/78/74/380607874.db2.gz VVRXQYCVUYIJRW-UHFFFAOYSA-N 0 3 290.382 3.382 20 30 CGEDHN N#Cc1cccc(CN2CCSC[C@@H]2C2CCC2)c1 ZINC000418131095 380709513 /nfs/dbraw/zinc/70/95/13/380709513.db2.gz VYSFVZFVSKRUFT-MRXNPFEDSA-N 0 3 272.417 3.276 20 30 CGEDHN N#Cc1ccc(CN(CC2CC2)C2CCC2)c(F)c1 ZINC000355741205 380765506 /nfs/dbraw/zinc/76/55/06/380765506.db2.gz ZEQZLEGDMOHDDF-UHFFFAOYSA-N 0 3 258.340 3.462 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](CC(F)(F)F)C2)C1 ZINC000420957116 380866095 /nfs/dbraw/zinc/86/60/95/380866095.db2.gz ZEWPZOULANYTGO-WOPDTQHZSA-N 0 3 260.303 3.343 20 30 CGEDHN CCN(CCOc1ccccc1C)[C@@H]1CC[C@H](C#N)C1 ZINC000420970769 380867264 /nfs/dbraw/zinc/86/72/64/380867264.db2.gz GPBYIFGXTUQNPG-JKSUJKDBSA-N 0 3 272.392 3.388 20 30 CGEDHN N#Cc1csc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000357379308 381134983 /nfs/dbraw/zinc/13/49/83/381134983.db2.gz YDPLIQLJJUBHRY-NVXWUHKLSA-N 0 3 298.411 3.487 20 30 CGEDHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1OC ZINC000357556521 381207219 /nfs/dbraw/zinc/20/72/19/381207219.db2.gz UXMXYBDINMWTAJ-DOMZBBRYSA-N 0 3 258.365 3.330 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000357739559 381271637 /nfs/dbraw/zinc/27/16/37/381271637.db2.gz HVMSYFSYTNHUKF-KGLIPLIRSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358830482 381328908 /nfs/dbraw/zinc/32/89/08/381328908.db2.gz QOXMUTFXODUEAJ-INIZCTEOSA-N 0 3 292.398 3.073 20 30 CGEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000360053662 381427651 /nfs/dbraw/zinc/42/76/51/381427651.db2.gz DOFCLOIFVSQBPJ-PBHICJAKSA-N 0 3 298.411 3.487 20 30 CGEDHN C=C(CNC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000360211565 381481581 /nfs/dbraw/zinc/48/15/81/381481581.db2.gz FHZKMBJDZGOVHF-MRXNPFEDSA-N 0 3 286.419 3.081 20 30 CGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)CCCC#N)CC1 ZINC000360262528 381500493 /nfs/dbraw/zinc/50/04/93/381500493.db2.gz SVCRYNVKBUUKKK-HNNXBMFYSA-N 0 3 299.418 3.022 20 30 CGEDHN Cc1ccc(CN(CCO)CCCCC(C)(C)C#N)o1 ZINC000361508610 381780431 /nfs/dbraw/zinc/78/04/31/381780431.db2.gz NRZXCLVYVBMBAS-UHFFFAOYSA-N 0 3 278.396 3.102 20 30 CGEDHN C=CCN(CCOC)[C@H]1CCc2c1cccc2Cl ZINC000361998139 381878599 /nfs/dbraw/zinc/87/85/99/381878599.db2.gz BQIYOYHVEIKYSE-HNNXBMFYSA-N 0 3 265.784 3.462 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)cc1Cl ZINC000361792835 381869978 /nfs/dbraw/zinc/86/99/78/381869978.db2.gz RPEWIPSHPTYJQU-GFCCVEGCSA-N 0 3 285.734 3.237 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)o1 ZINC000362391032 381972905 /nfs/dbraw/zinc/97/29/05/381972905.db2.gz YBKVMIMSLVPJTQ-QZTJIDSGSA-N 0 3 296.370 3.239 20 30 CGEDHN C=CCCN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367013653 382328044 /nfs/dbraw/zinc/32/80/44/382328044.db2.gz AZBQZKSLKVLHPJ-MRXNPFEDSA-N 0 3 280.412 3.038 20 30 CGEDHN CCCCCCCCC(=O)NCCNC[C@@H](F)CC ZINC001148727545 805207320 /nfs/dbraw/zinc/20/73/20/805207320.db2.gz BPFMHZRDHVKNET-AWEZNQCLSA-N 0 3 274.424 3.191 20 30 CGEDHN C=CCCCCN[C@H](c1cnn(C)c1)c1ccccc1 ZINC000282427264 542385225 /nfs/dbraw/zinc/38/52/25/542385225.db2.gz SXZXYCBEDKJGQM-KRWDZBQOSA-N 0 3 269.392 3.455 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)s1 ZINC000289241240 197272365 /nfs/dbraw/zinc/27/23/65/197272365.db2.gz DSRDUALPBOQSHK-OLZOCXBDSA-N 0 3 278.421 3.135 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000347116166 533107674 /nfs/dbraw/zinc/10/76/74/533107674.db2.gz RJFWFCWUKVTFSQ-ZDUSSCGKSA-N 0 3 258.365 3.221 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H]1CCSc2c(F)cccc21 ZINC000341883034 542495029 /nfs/dbraw/zinc/49/50/29/542495029.db2.gz UCBUUGJJIGIVFQ-BXUZGUMPSA-N 0 3 281.396 3.137 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H]1CCSc2c(F)cccc21 ZINC000341883036 542495786 /nfs/dbraw/zinc/49/57/86/542495786.db2.gz UCBUUGJJIGIVFQ-RISCZKNCSA-N 0 3 281.396 3.137 20 30 CGEDHN COc1cc(CNC[C@H](C)c2c(C)noc2C)ccc1C#N ZINC000281657649 195324838 /nfs/dbraw/zinc/32/48/38/195324838.db2.gz KNAJLOSCKONNNJ-NSHDSACASA-N 0 3 299.374 3.065 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000354553509 533237284 /nfs/dbraw/zinc/23/72/84/533237284.db2.gz XFMJYYBLWYUBHA-QWHCGFSZSA-N 0 3 279.343 3.085 20 30 CGEDHN C#CCOc1ccc(CN2CCC3(CCOCC3)CC2)cc1 ZINC000284281814 392312187 /nfs/dbraw/zinc/31/21/87/392312187.db2.gz AQAXGELAGUBQEX-UHFFFAOYSA-N 0 3 299.414 3.091 20 30 CGEDHN C=CCSCCN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000284461722 392314051 /nfs/dbraw/zinc/31/40/51/392314051.db2.gz TYCSKAFOWYZCIG-SNVBAGLBSA-N 0 3 286.828 3.313 20 30 CGEDHN C=CCN(Cc1ccccc1)CC1(COC)CCC1 ZINC000361300572 392276563 /nfs/dbraw/zinc/27/65/63/392276563.db2.gz RYFKQVVLHJFART-UHFFFAOYSA-N 0 3 259.393 3.491 20 30 CGEDHN C=C(C)CN(CC)Cc1c(C)nn(-c2ccccn2)c1C ZINC000282810477 392295421 /nfs/dbraw/zinc/29/54/21/392295421.db2.gz OGUBLGJWFBHDPZ-UHFFFAOYSA-N 0 3 284.407 3.282 20 30 CGEDHN CC[C@H](N[C@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283514945 392305943 /nfs/dbraw/zinc/30/59/43/392305943.db2.gz ZWCYAAPCJFFVLI-KBPBESRZSA-N 0 3 260.406 3.493 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000237588530 131044614 /nfs/dbraw/zinc/04/46/14/131044614.db2.gz DNCAXPPBGPKUOD-ZDUSSCGKSA-N 0 3 294.354 3.180 20 30 CGEDHN C=C(CC)CN[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000453358752 542682502 /nfs/dbraw/zinc/68/25/02/542682502.db2.gz MDJNZTZMUYLEKM-AWEZNQCLSA-N 0 3 261.365 3.247 20 30 CGEDHN C#C[C@H](C)N[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000289621466 392425907 /nfs/dbraw/zinc/42/59/07/392425907.db2.gz WJPRGMOQLWUSLW-UONOGXRCSA-N 0 3 272.392 3.138 20 30 CGEDHN C#C[C@H](C)N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000289621459 392427178 /nfs/dbraw/zinc/42/71/78/392427178.db2.gz WJPRGMOQLWUSLW-KBPBESRZSA-N 0 3 272.392 3.138 20 30 CGEDHN C=CCC[C@@H](NCc1csc(COC)n1)C1CC1 ZINC000289719013 392429511 /nfs/dbraw/zinc/42/95/11/392429511.db2.gz JLUNVLCOHJXTCM-CYBMUJFWSA-N 0 3 266.410 3.124 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000121164233 392409473 /nfs/dbraw/zinc/40/94/73/392409473.db2.gz YKCQHHBRAPSCTN-AWEZNQCLSA-N 0 3 292.398 3.071 20 30 CGEDHN C=CCC[C@@H](NCCC(C)(C)CO)c1ccco1 ZINC000296446402 392559547 /nfs/dbraw/zinc/55/95/47/392559547.db2.gz MOJAESLRGJIRCQ-CYBMUJFWSA-N 0 3 251.370 3.285 20 30 CGEDHN COCC[C@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000372089340 392581576 /nfs/dbraw/zinc/58/15/76/392581576.db2.gz USEKHGQLOVMDFX-OAHLLOKOSA-N 0 3 272.392 3.197 20 30 CGEDHN COc1ccccc1C[C@H](C)NCc1ccc(C#N)cc1F ZINC000177856547 392668905 /nfs/dbraw/zinc/66/89/05/392668905.db2.gz DUPIPKVCJGXXBO-ZDUSSCGKSA-N 0 3 298.361 3.427 20 30 CGEDHN COc1cccc(C2(F)CCN(CCCC#N)CC2)c1 ZINC000374169676 392671258 /nfs/dbraw/zinc/67/12/58/392671258.db2.gz DSPYLOBVBNHEKB-UHFFFAOYSA-N 0 3 276.355 3.260 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC(F)F)c(F)c1 ZINC000181050170 392717468 /nfs/dbraw/zinc/71/74/68/392717468.db2.gz VJBFDHANVOGRNO-UHFFFAOYSA-N 0 3 259.271 3.435 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H](O)CC2CCCC2)C2CC2)cc1 ZINC000190460389 392816050 /nfs/dbraw/zinc/81/60/50/392816050.db2.gz PBVLQZMFAFSTSM-IBGZPJMESA-N 0 3 298.430 3.464 20 30 CGEDHN C=CCNC(=O)CN(CCC)[C@@H](CC)c1ccccc1 ZINC000519907149 392902858 /nfs/dbraw/zinc/90/28/58/392902858.db2.gz MJCODWCBNFHKIH-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)[C@H]1CCCCO1 ZINC000381731913 392913605 /nfs/dbraw/zinc/91/36/05/392913605.db2.gz XCJMZFNDNYACAT-GDBMZVCRSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000521217588 392927693 /nfs/dbraw/zinc/92/76/93/392927693.db2.gz BOUKFGWERDZOLQ-IAGOWNOFSA-N 0 3 267.376 3.207 20 30 CGEDHN C=CCOCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000338888162 392934308 /nfs/dbraw/zinc/93/43/08/392934308.db2.gz WAXKYXUOITZWLK-UHFFFAOYSA-N 0 3 261.340 3.117 20 30 CGEDHN CC(C)CCOC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338914398 392935263 /nfs/dbraw/zinc/93/52/63/392935263.db2.gz YBHATCYWPCLGTQ-CABCVRRESA-N 0 3 264.413 3.206 20 30 CGEDHN Cc1ccccc1C1CCN(CCOCCC#N)CC1 ZINC000338981137 392937632 /nfs/dbraw/zinc/93/76/32/392937632.db2.gz NEVGWGRVQAEWPL-UHFFFAOYSA-N 0 3 272.392 3.105 20 30 CGEDHN C=CCC[C@H](O)CN1CCC(c2cccc(F)c2F)CC1 ZINC000575105957 335065925 /nfs/dbraw/zinc/06/59/25/335065925.db2.gz SCVSXSAVVCBXKY-AWEZNQCLSA-N 0 3 295.373 3.471 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(F)(F)C[C@H]1C ZINC000528765202 392971158 /nfs/dbraw/zinc/97/11/58/392971158.db2.gz AVGFAFZCBZXZDJ-GFCCVEGCSA-N 0 3 264.319 3.486 20 30 CGEDHN COC[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000411810579 392988915 /nfs/dbraw/zinc/98/89/15/392988915.db2.gz QWDFTHHLPWAPMZ-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN N#CCCCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412013110 392992389 /nfs/dbraw/zinc/99/23/89/392992389.db2.gz ZMIFOECYOWGQPQ-UHFFFAOYSA-N 0 3 299.418 3.096 20 30 CGEDHN N#CC1(F)CCN(c2ccnc3ccccc32)CC1 ZINC000343223352 393022931 /nfs/dbraw/zinc/02/29/31/393022931.db2.gz GOAVYLGBIZAURF-UHFFFAOYSA-N 0 3 255.296 3.067 20 30 CGEDHN CCN(CC1(C#N)CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000343319300 393026375 /nfs/dbraw/zinc/02/63/75/393026375.db2.gz ZLIAVBVVVGMVKY-AEFFLSMTSA-N 0 3 297.446 3.448 20 30 CGEDHN C[C@H]1CC(C)(C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000413968277 393035568 /nfs/dbraw/zinc/03/55/68/393035568.db2.gz ARMYBGUHHSVOLS-GOEBONIOSA-N 0 3 284.403 3.406 20 30 CGEDHN C[C@@](CO)(NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000265946879 393174289 /nfs/dbraw/zinc/17/42/89/393174289.db2.gz PCXJHBMMFTVWQN-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN CC[C@H](NCc1ccc(N(C)C)nc1)c1ccc(C#N)cc1 ZINC000278305873 393317454 /nfs/dbraw/zinc/31/74/54/393317454.db2.gz SHZIPLPAOBFUEC-KRWDZBQOSA-N 0 3 294.402 3.260 20 30 CGEDHN C=C(C)[C@H](CO)N1CC=C(c2cccc(C)c2)CC1 ZINC000649406914 393414504 /nfs/dbraw/zinc/41/45/04/393414504.db2.gz HNHDOPAXYRMFGW-KRWDZBQOSA-N 0 3 257.377 3.021 20 30 CGEDHN C=CC[C@H]1CC[C@@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000649488848 393449474 /nfs/dbraw/zinc/44/94/74/393449474.db2.gz BIWRQBRHDYNHGK-MEDUHNTESA-N 0 3 281.363 3.015 20 30 CGEDHN Cc1cc(CN[C@H](C)c2cccc(O)c2)ccc1C#N ZINC000488155069 393463906 /nfs/dbraw/zinc/46/39/06/393463906.db2.gz WESVMHXNOIQCCZ-CYBMUJFWSA-N 0 3 266.344 3.423 20 30 CGEDHN C[C@@H]1CC[C@@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000429561275 393479641 /nfs/dbraw/zinc/47/96/41/393479641.db2.gz QFTXCRMWIOUFFF-UKRRQHHQSA-N 0 3 267.376 3.431 20 30 CGEDHN C[C@@H]1C[C@@H]1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000488316564 393485434 /nfs/dbraw/zinc/48/54/34/393485434.db2.gz GJYVFAZCPNEWAX-DZUCGIPZSA-N 0 3 254.377 3.414 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000359306907 393543485 /nfs/dbraw/zinc/54/34/85/393543485.db2.gz NDZOFFGBTIHQLM-ZIAGYGMSSA-N 0 3 270.376 3.163 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663481 393532277 /nfs/dbraw/zinc/53/22/77/393532277.db2.gz HOHIWAAVNJAMGE-IAGOWNOFSA-N 0 3 277.383 3.116 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)C[C@H](C)O)cc1Cl ZINC000361043084 393654093 /nfs/dbraw/zinc/65/40/93/393654093.db2.gz NKQWLVBWHVTCII-NEPJUHHUSA-N 0 3 283.799 3.154 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000443662060 393770416 /nfs/dbraw/zinc/77/04/16/393770416.db2.gz ULZOXDRDJXRGCU-ZIAGYGMSSA-N 0 3 272.392 3.435 20 30 CGEDHN Cc1cc(CN[C@H](CCO)c2ccccc2)ccc1C#N ZINC000444002932 393783301 /nfs/dbraw/zinc/78/33/01/393783301.db2.gz LQTWZHCYARSZMV-GOSISDBHSA-N 0 3 280.371 3.080 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnc3n2CCC3)CCCC1(C)C ZINC000668069955 542965331 /nfs/dbraw/zinc/96/53/31/542965331.db2.gz FHIUKJJFFYMBGI-HNNXBMFYSA-N 0 3 273.424 3.396 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000668493029 543020145 /nfs/dbraw/zinc/02/01/45/543020145.db2.gz IXINXKILEHACPP-CQSZACIVSA-N 0 3 256.393 3.358 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CCC2)CC1 ZINC000671728837 543181676 /nfs/dbraw/zinc/18/16/76/543181676.db2.gz LMAJQCUZUATJPE-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000676740263 543415226 /nfs/dbraw/zinc/41/52/26/543415226.db2.gz PKGMJEVJVJBISL-KDOFPFPSSA-N 0 3 298.386 3.462 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000677048437 543428061 /nfs/dbraw/zinc/42/80/61/543428061.db2.gz XGZYKHBPTYUHCG-CQSZACIVSA-N 0 3 275.367 3.471 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1ccccc1OCC ZINC000678745143 543552727 /nfs/dbraw/zinc/55/27/27/543552727.db2.gz OFMMXZRBKQEEQL-LSDHHAIUSA-N 0 3 263.381 3.063 20 30 CGEDHN COCC#CCN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000678747828 543553153 /nfs/dbraw/zinc/55/31/53/543553153.db2.gz GAAMPJINTHNTEE-INIZCTEOSA-N 0 3 259.393 3.403 20 30 CGEDHN COCC#CCN[C@@H](CC(C)C)c1ccccc1C ZINC000678772507 543556109 /nfs/dbraw/zinc/55/61/09/543556109.db2.gz ACQKEDGEIZBCRO-KRWDZBQOSA-N 0 3 259.393 3.322 20 30 CGEDHN CC1(C)CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000087657818 165191720 /nfs/dbraw/zinc/19/17/20/165191720.db2.gz BRSRQOIVWGQQMV-UHFFFAOYSA-N 0 3 285.391 3.009 20 30 CGEDHN CC1(C)C[C@H](NCc2cc(C#N)ccc2F)C(C)(C)O1 ZINC000090117476 165227123 /nfs/dbraw/zinc/22/71/23/165227123.db2.gz NVKSFVLVOJTDJS-AWEZNQCLSA-N 0 3 276.355 3.133 20 30 CGEDHN C=CCOCCN[C@H](CC)c1cc(C)ccc1OC ZINC000679576695 543648172 /nfs/dbraw/zinc/64/81/72/543648172.db2.gz RMBYNZJBCCFBDJ-OAHLLOKOSA-N 0 3 263.381 3.247 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000680635527 543721822 /nfs/dbraw/zinc/72/18/22/543721822.db2.gz AKNAWNJVEDZOPY-QWHCGFSZSA-N 0 3 257.381 3.264 20 30 CGEDHN C=CC[C@H](CO)NCc1ccccc1OC1CCCC1 ZINC000680484944 543714726 /nfs/dbraw/zinc/71/47/26/543714726.db2.gz RXDUZTJANHPZKO-OAHLLOKOSA-N 0 3 275.392 3.035 20 30 CGEDHN COc1ccc(C#N)cc1CN(CC1CC1)C(C)C ZINC000130440032 287355605 /nfs/dbraw/zinc/35/56/05/287355605.db2.gz IMNSSHWXNNTTER-UHFFFAOYSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCOCCN[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000682733691 543863695 /nfs/dbraw/zinc/86/36/95/543863695.db2.gz FRDBMTKMMXXIQW-INIZCTEOSA-N 0 3 275.392 3.210 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000131928026 287393161 /nfs/dbraw/zinc/39/31/61/287393161.db2.gz KYZWSUPMBZLZIZ-KDOFPFPSSA-N 0 3 293.370 3.168 20 30 CGEDHN CCC#C[C@H](C)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000683527791 543920513 /nfs/dbraw/zinc/92/05/13/543920513.db2.gz GZOLKLWRCALFJH-KRWDZBQOSA-N 0 3 285.431 3.106 20 30 CGEDHN C=CC[C@@H](CC)NCc1nc2c(s1)CCCC2 ZINC000684930000 544041439 /nfs/dbraw/zinc/04/14/39/544041439.db2.gz SIFUNTSJIVYLGY-LLVKDONJSA-N 0 3 250.411 3.466 20 30 CGEDHN CCC#C[C@H](C)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000685595367 544088058 /nfs/dbraw/zinc/08/80/58/544088058.db2.gz TYLXEZLGARJZDI-IAOVAPTHSA-N 0 3 290.838 3.477 20 30 CGEDHN CCn1nccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353916248 226818578 /nfs/dbraw/zinc/81/85/78/226818578.db2.gz PNGPMHSUOANBNY-QGZVFWFLSA-N 0 3 282.391 3.428 20 30 CGEDHN Cc1cccc(OCCNCc2ccc(C#N)s2)c1 ZINC000135670962 287473438 /nfs/dbraw/zinc/47/34/38/287473438.db2.gz RSVVRXLLFDLEQG-UHFFFAOYSA-N 0 3 272.373 3.097 20 30 CGEDHN Cc1cccc([C@@H]2CCCN2C(=O)C(C)C#N)c1C ZINC000336577780 227130501 /nfs/dbraw/zinc/13/05/01/227130501.db2.gz ZKMNWEOCYVIBCU-DOMZBBRYSA-N 0 3 256.349 3.127 20 30 CGEDHN N#CCC1(CNC/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352705178 227171536 /nfs/dbraw/zinc/17/15/36/227171536.db2.gz LAVKKDDJASPUBI-UPHRSURJSA-N 0 3 262.303 3.261 20 30 CGEDHN C=C[C@H](CO)N[C@@H](CC)CSc1ccc(Cl)cc1 ZINC000658332942 418939454 /nfs/dbraw/zinc/93/94/54/418939454.db2.gz JELAHMNDNKHDAR-OLZOCXBDSA-N 0 3 285.840 3.347 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659022320 418957650 /nfs/dbraw/zinc/95/76/50/418957650.db2.gz MHQPMRAZDPTQBB-ZDUSSCGKSA-N 0 3 285.391 3.110 20 30 CGEDHN C=CCC1(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCC1 ZINC000665355492 419117009 /nfs/dbraw/zinc/11/70/09/419117009.db2.gz XBCAOPGDVMFSEG-AWEZNQCLSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)[C@H](C)c2ccccc2)nn1 ZINC000653609034 419059097 /nfs/dbraw/zinc/05/90/97/419059097.db2.gz UKIIXMLQGBTNKG-LSDHHAIUSA-N 0 3 284.407 3.136 20 30 CGEDHN C=CCOc1ccc(CN(C[C@H](C)O)C2CC2)cc1Cl ZINC000656278466 419165567 /nfs/dbraw/zinc/16/55/67/419165567.db2.gz HKKHWAMABWVJNY-LBPRGKRZSA-N 0 3 295.810 3.250 20 30 CGEDHN CC#CCN[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661428914 419259230 /nfs/dbraw/zinc/25/92/30/419259230.db2.gz VJSALBFYQJJKTL-INIZCTEOSA-N 0 3 277.795 3.045 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1F)C(C)C ZINC000661484641 419263797 /nfs/dbraw/zinc/26/37/97/419263797.db2.gz MIHOANGSKOKLEC-CZUORRHYSA-N 0 3 265.372 3.440 20 30 CGEDHN C[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)[C@H]1CCO ZINC000661502020 419267803 /nfs/dbraw/zinc/26/78/03/419267803.db2.gz YXTYEELBUPQNEO-PBHICJAKSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1nccn1CC ZINC000666459493 419219380 /nfs/dbraw/zinc/21/93/80/419219380.db2.gz BOBXIJLUFJYOSV-INIZCTEOSA-N 0 3 269.392 3.180 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncnn1CC(C)C ZINC000661116281 419231682 /nfs/dbraw/zinc/23/16/82/419231682.db2.gz XTBVGJRMONXHJC-CABCVRRESA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2c(C)cccc2C)C1=O ZINC000661135424 419234090 /nfs/dbraw/zinc/23/40/90/419234090.db2.gz BVPSLJRZAHJQLH-DLBZAZTESA-N 0 3 298.430 3.227 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cc(C(F)(F)F)nn1C ZINC000657430155 419277158 /nfs/dbraw/zinc/27/71/58/419277158.db2.gz YQHSQLXZCULJOS-SNVBAGLBSA-N 0 3 275.318 3.273 20 30 CGEDHN C=CCCn1cc(CNCC(C)(C)C2=CCCC2)nn1 ZINC000657487584 419292133 /nfs/dbraw/zinc/29/21/33/419292133.db2.gz WJZMMTMWBCCTHQ-UHFFFAOYSA-N 0 3 274.412 3.080 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC[C@H]2C(C)(C)C)nn1 ZINC000657494800 419293814 /nfs/dbraw/zinc/29/38/14/419293814.db2.gz HNWWBIULFPHSGO-CABCVRRESA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCC1(NCC(=O)Nc2ccc(F)c(F)c2)CCCC1 ZINC000661861510 419307020 /nfs/dbraw/zinc/30/70/20/419307020.db2.gz BZOIELVBYSHUJC-UHFFFAOYSA-N 0 3 294.345 3.382 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661872366 419309333 /nfs/dbraw/zinc/30/93/33/419309333.db2.gz APLLMMSHRHDBKE-RBUKOAKNSA-N 0 3 283.415 3.319 20 30 CGEDHN C=CCOCCCNCc1ccc(C)cc1Br ZINC000657658347 419320449 /nfs/dbraw/zinc/32/04/49/419320449.db2.gz SUQHOCWUJNXZTE-UHFFFAOYSA-N 0 3 298.224 3.440 20 30 CGEDHN C=CCOCCCNCc1c(F)cccc1CC ZINC000657659206 419320949 /nfs/dbraw/zinc/32/09/49/419320949.db2.gz RCYFATSJJACROU-UHFFFAOYSA-N 0 3 251.345 3.070 20 30 CGEDHN C=CCOCCCNCc1cn(-c2ccc(C)cc2)nc1C ZINC000657659118 419321202 /nfs/dbraw/zinc/32/12/02/419321202.db2.gz OQVAPVBWXFUTHW-UHFFFAOYSA-N 0 3 299.418 3.171 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000662082067 419333200 /nfs/dbraw/zinc/33/32/00/419333200.db2.gz XIAOLHOZAPWFOK-NNXHMXCWSA-N 0 3 290.451 3.253 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000336191101 228209208 /nfs/dbraw/zinc/20/92/08/228209208.db2.gz OZZVTXIOEJUMNL-YPMHNXCESA-N 0 3 276.767 3.033 20 30 CGEDHN C=C(CC)CN1CCN(CC(=C)CC)[C@@H](C)[C@H]1C ZINC000662226451 419366164 /nfs/dbraw/zinc/36/61/64/419366164.db2.gz ZXPZUFCCMAMWLQ-IYBDPMFKSA-N 0 3 250.430 3.313 20 30 CGEDHN C=CCCC1(CNC(=O)[C@](C)(N)CCC)CCCC1 ZINC000662620528 419466073 /nfs/dbraw/zinc/46/60/73/419466073.db2.gz LYDQBOPGVJYPCQ-OAHLLOKOSA-N 0 3 266.429 3.147 20 30 CGEDHN CCN(C[C@@H](C)C#N)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000186640218 260112464 /nfs/dbraw/zinc/11/24/64/260112464.db2.gz RGDOQFVUZFBWCJ-KBPBESRZSA-N 0 3 292.398 3.494 20 30 CGEDHN C=CCOCCN[C@@H]1CCCOc2ccc(C)cc21 ZINC000368430741 261250355 /nfs/dbraw/zinc/25/03/55/261250355.db2.gz YXAJGCKJYSPOIV-OAHLLOKOSA-N 0 3 261.365 3.001 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)C(C)(C)C#N ZINC000163403276 261315514 /nfs/dbraw/zinc/31/55/14/261315514.db2.gz SPQHGDMXLQIZSX-UHFFFAOYSA-N 0 3 285.391 3.079 20 30 CGEDHN C#C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(C)(C)C ZINC000491229539 261381156 /nfs/dbraw/zinc/38/11/56/261381156.db2.gz HVLAACSMMLIVOR-XJKSGUPXSA-N 0 3 270.376 3.115 20 30 CGEDHN C=C[C@H](C)NCc1cccc(Br)c1OC ZINC000336727648 261849441 /nfs/dbraw/zinc/84/94/41/261849441.db2.gz HOKKIXYOOFWNPD-VIFPVBQESA-N 0 3 270.170 3.122 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccc(/C=C/C)cc2)CC1 ZINC000497421302 262158742 /nfs/dbraw/zinc/15/87/42/262158742.db2.gz VRZSTXQGUSNJMM-HWKANZROSA-N 0 3 299.418 3.492 20 30 CGEDHN COc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000192953335 262212428 /nfs/dbraw/zinc/21/24/28/262212428.db2.gz YHICMECWCMWQMH-ZFWWWQNUSA-N 0 3 258.365 3.176 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000111260387 262259254 /nfs/dbraw/zinc/25/92/54/262259254.db2.gz GSJHTBZYNRTTAS-GDBMZVCRSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(C(=O)OC)c(C)o1 ZINC000312050873 262346681 /nfs/dbraw/zinc/34/66/81/262346681.db2.gz XCDVVRYKXZTYAF-UHFFFAOYSA-N 0 3 265.353 3.067 20 30 CGEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccn1 ZINC000391191183 262386822 /nfs/dbraw/zinc/38/68/22/262386822.db2.gz YRCZHABMCJYEHE-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000339429518 262641589 /nfs/dbraw/zinc/64/15/89/262641589.db2.gz YKOLWSXQMFRFPU-YDHLFZDLSA-N 0 3 298.365 3.354 20 30 CGEDHN CC(C)(C#N)CCN[C@H](CCCO)c1ccccc1 ZINC000271993179 263001136 /nfs/dbraw/zinc/00/11/36/263001136.db2.gz FMIVVBZKNHPPJA-OAHLLOKOSA-N 0 3 260.381 3.030 20 30 CGEDHN Cc1cc(CNCCCC#N)c(OC(F)F)cc1C ZINC000273002596 263010863 /nfs/dbraw/zinc/01/08/63/263010863.db2.gz AKFXLNJNDXJKKJ-UHFFFAOYSA-N 0 3 268.307 3.298 20 30 CGEDHN CCCCOc1cc(CNCCCC#N)ccc1OC ZINC000273121993 263012851 /nfs/dbraw/zinc/01/28/51/263012851.db2.gz ZREWGPWUOVFEAN-UHFFFAOYSA-N 0 3 276.380 3.267 20 30 CGEDHN C[C@@H](CCC#N)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000276332937 263036259 /nfs/dbraw/zinc/03/62/59/263036259.db2.gz RICMVMQWNDNZDB-ZDUSSCGKSA-N 0 3 280.375 3.344 20 30 CGEDHN COc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@@H](C#N)C1)CCO2 ZINC000278665386 263049597 /nfs/dbraw/zinc/04/95/97/263049597.db2.gz IZMNDFVSGKUQBW-WWGRRREGSA-N 0 3 286.375 3.191 20 30 CGEDHN CC(C)(NCCCC1(C#N)CCOCC1)c1nccs1 ZINC000281146520 263066662 /nfs/dbraw/zinc/06/66/62/263066662.db2.gz BAJCKBREYLNEHA-UHFFFAOYSA-N 0 3 293.436 3.068 20 30 CGEDHN N#CC1CCC(CNCc2ccn(-c3ccccc3)n2)CC1 ZINC000281449231 263068905 /nfs/dbraw/zinc/06/89/05/263068905.db2.gz ADOQJXUEMQUVKM-UHFFFAOYSA-N 0 3 294.402 3.292 20 30 CGEDHN C=CCC[C@H](NC[C@@H]1CCC[C@@H](O)C1)c1ccco1 ZINC000353514565 263107702 /nfs/dbraw/zinc/10/77/02/263107702.db2.gz CCFYWZCLLQEIAH-KFWWJZLASA-N 0 3 263.381 3.428 20 30 CGEDHN N#CCCOCCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000293042786 263137485 /nfs/dbraw/zinc/13/74/85/263137485.db2.gz JYNFPEPSPQNGEG-UHFFFAOYSA-N 0 3 294.345 3.074 20 30 CGEDHN N#CCCOCCN1CCC[C@H]1c1ccccc1Cl ZINC000293553280 263143150 /nfs/dbraw/zinc/14/31/50/263143150.db2.gz RHVRMRICDNLALM-HNNXBMFYSA-N 0 3 278.783 3.407 20 30 CGEDHN CCCN(CCOCCC#N)[C@@H](C)c1ccccc1OC ZINC000293608242 263144486 /nfs/dbraw/zinc/14/44/86/263144486.db2.gz VLLRMHBDRHSDOS-HNNXBMFYSA-N 0 3 290.407 3.398 20 30 CGEDHN C=C(CNCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000340436858 263147048 /nfs/dbraw/zinc/14/70/48/263147048.db2.gz GXWZXCMYJKDNRI-UHFFFAOYSA-N 0 3 281.355 3.261 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000293836466 263150542 /nfs/dbraw/zinc/15/05/42/263150542.db2.gz QESQVJMQQYXFJP-DJIMGWMZSA-N 0 3 269.392 3.255 20 30 CGEDHN N#CC1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296312528 263189502 /nfs/dbraw/zinc/18/95/02/263189502.db2.gz FHKGROJPAMVVGY-PIMMBPRGSA-N 0 3 270.376 3.299 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000453356746 263246608 /nfs/dbraw/zinc/24/66/08/263246608.db2.gz NISUGMANHOCYDD-ONGXEEELSA-N 0 3 273.298 3.082 20 30 CGEDHN COc1ccc(OC)c([C@@H](C)N[C@H](C)CCC#N)c1 ZINC000299732900 263253740 /nfs/dbraw/zinc/25/37/40/263253740.db2.gz YBHMKRYUYDLUQG-VXGBXAGGSA-N 0 3 262.353 3.047 20 30 CGEDHN C=CCOc1ccc(CN[C@]2(C)CCOC2)cc1Cl ZINC000120217838 263282941 /nfs/dbraw/zinc/28/29/41/263282941.db2.gz XYPARDIQROGBQN-OAHLLOKOSA-N 0 3 281.783 3.173 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093215904 263288918 /nfs/dbraw/zinc/28/89/18/263288918.db2.gz XVUZGECJGXQNEN-RDBSUJKOSA-N 0 3 295.427 3.104 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccccc1Cl ZINC000341890200 263364383 /nfs/dbraw/zinc/36/43/83/263364383.db2.gz SRMCSLWKPHLIGN-VXGBXAGGSA-N 0 3 253.773 3.175 20 30 CGEDHN COCC1(C#N)CCN(CCCc2ccccc2C)CC1 ZINC000341982606 263370092 /nfs/dbraw/zinc/37/00/92/263370092.db2.gz AZNDMANRKXVMOC-UHFFFAOYSA-N 0 3 286.419 3.180 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000342727626 263481010 /nfs/dbraw/zinc/48/10/10/263481010.db2.gz VPNVXPIOTHNMGW-LSDHHAIUSA-N 0 3 274.408 3.069 20 30 CGEDHN C=CCC[C@@H](O)CN1CCSC[C@@H]1c1ccccc1 ZINC000129181170 264319159 /nfs/dbraw/zinc/31/91/59/264319159.db2.gz RSLCNXXWRZHDAP-HZPDHXFCSA-N 0 3 277.433 3.104 20 30 CGEDHN C=CCN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000075935712 264334399 /nfs/dbraw/zinc/33/43/99/264334399.db2.gz SOXDDUXJMXRNLG-HNNXBMFYSA-N 0 3 287.407 3.015 20 30 CGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000132485613 264388490 /nfs/dbraw/zinc/38/84/90/264388490.db2.gz OYTJBBCTRLPZOU-MRXNPFEDSA-N 0 3 287.407 3.239 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000180138069 264392433 /nfs/dbraw/zinc/39/24/33/264392433.db2.gz JAJRBDXDEUWBFQ-ROUUACIJSA-N 0 3 298.430 3.316 20 30 CGEDHN Cc1cccc([C@@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000232315606 287645116 /nfs/dbraw/zinc/64/51/16/287645116.db2.gz WKNUQZKSCMZVHD-CYBMUJFWSA-N 0 3 253.349 3.056 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000293533023 264967991 /nfs/dbraw/zinc/96/79/91/264967991.db2.gz PPRDRXQSXAGGGF-MRXNPFEDSA-N 0 3 291.391 3.043 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000356505830 266127300 /nfs/dbraw/zinc/12/73/00/266127300.db2.gz NOLYFRONBIDTOC-QGZVFWFLSA-N 0 3 297.402 3.203 20 30 CGEDHN N#CCCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360883095 266751301 /nfs/dbraw/zinc/75/13/01/266751301.db2.gz IMTHPLORTQSZEL-MRXNPFEDSA-N 0 3 253.349 3.219 20 30 CGEDHN C=CCCCCCN1CCC[C@@H]1C(=O)N(CC)CC ZINC000362934942 267063831 /nfs/dbraw/zinc/06/38/31/267063831.db2.gz NGWAIRQBDKEITB-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000368566799 267186657 /nfs/dbraw/zinc/18/66/57/267186657.db2.gz JXMSQNBYLQQGJB-SFHVURJKSA-N 0 3 279.387 3.047 20 30 CGEDHN C=CCCCN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000369402702 267239928 /nfs/dbraw/zinc/23/99/28/267239928.db2.gz HQCILJNNYONOIE-INIZCTEOSA-N 0 3 288.391 3.064 20 30 CGEDHN C=CCC[C@H](O)CN(Cc1cccc(F)c1)C1CC1 ZINC000123219117 268016414 /nfs/dbraw/zinc/01/64/14/268016414.db2.gz GGXZJASNOABEDG-INIZCTEOSA-N 0 3 263.356 3.117 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000195346786 268247112 /nfs/dbraw/zinc/24/71/12/268247112.db2.gz UQLPIFFLXXGFGZ-OAHLLOKOSA-N 0 3 283.400 3.394 20 30 CGEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000532967384 270220506 /nfs/dbraw/zinc/22/05/06/270220506.db2.gz AVJMGZRXABADCW-WMLDXEAASA-N 0 3 299.418 3.397 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cccc3c2CCCN3)C1 ZINC000335013665 274917303 /nfs/dbraw/zinc/91/73/03/274917303.db2.gz NVKRFAMSUDJELA-ZFWWWQNUSA-N 0 3 269.392 3.217 20 30 CGEDHN C=C[C@@H](CO)NC1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000353576411 275435860 /nfs/dbraw/zinc/43/58/60/275435860.db2.gz NJJMRBOLMBBWQC-QRMWWUJWSA-N 0 3 285.309 3.088 20 30 CGEDHN C=CC[C@H](CO)N[C@@H]1C[C@@H](C)Sc2sccc21 ZINC000349761423 275749069 /nfs/dbraw/zinc/74/90/69/275749069.db2.gz XMFCPKBOJOXURY-CKYFFXLPSA-N 0 3 269.435 3.200 20 30 CGEDHN C=CCC[C@H](N[C@H](C)CC(C)(C)O)c1ccco1 ZINC000296458717 277838416 /nfs/dbraw/zinc/83/84/16/277838416.db2.gz NENIDQDFEYLGSP-OLZOCXBDSA-N 0 3 251.370 3.426 20 30 CGEDHN C[C@@]1(NCC#Cc2ccc(Cl)cc2)CCO[C@@H]1C1CC1 ZINC000273071110 278128091 /nfs/dbraw/zinc/12/80/91/278128091.db2.gz OKEQYXGPIQIKJR-IAGOWNOFSA-N 0 3 289.806 3.239 20 30 CGEDHN Cc1ccc2nccc(N3CCC(C#N)CC3)c2c1 ZINC000302163508 278903695 /nfs/dbraw/zinc/90/36/95/278903695.db2.gz QIMHRYSEHXAFAX-UHFFFAOYSA-N 0 3 251.333 3.283 20 30 CGEDHN Cc1ccccc1[C@@H]([C@H](C)Nc1ncccc1C#N)N(C)C ZINC000343818297 281362034 /nfs/dbraw/zinc/36/20/34/281362034.db2.gz ZWGHAHIBXORPPT-WMLDXEAASA-N 0 3 294.402 3.365 20 30 CGEDHN Cc1ccc(CCN[C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000543762492 288819195 /nfs/dbraw/zinc/81/91/95/288819195.db2.gz VEQOSSLSZZQPFX-CYBMUJFWSA-N 0 3 283.350 3.294 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@H](CCCO)c2ccccc2)C1 ZINC000192892151 327878951 /nfs/dbraw/zinc/87/89/51/327878951.db2.gz BKICDQNNIANIJD-BHYGNILZSA-N 0 3 272.392 3.172 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc3c2OCCCO3)C1 ZINC000274170498 328208639 /nfs/dbraw/zinc/20/86/39/328208639.db2.gz BLLYEUWFVPNBST-UKRRQHHQSA-N 0 3 286.375 3.020 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccc2c(n1)CCCC2 ZINC000277757167 328222532 /nfs/dbraw/zinc/22/25/32/328222532.db2.gz ROCQSEANVUYNGB-UHFFFAOYSA-N 0 3 271.408 3.380 20 30 CGEDHN CN(CCOCCC#N)Cc1cccc2ccccc21 ZINC000292947631 328274144 /nfs/dbraw/zinc/27/41/44/328274144.db2.gz BJBUHDDWSZHPQN-UHFFFAOYSA-N 0 3 268.360 3.202 20 30 CGEDHN C=CC[C@H](CO)CNCc1cnc(-c2cccs2)s1 ZINC000341270263 328406122 /nfs/dbraw/zinc/40/61/22/328406122.db2.gz VJJVJUADXGFULP-NSHDSACASA-N 0 3 294.445 3.146 20 30 CGEDHN C=CCSCCNCc1cc(F)c(F)cc1F ZINC000136055352 328524988 /nfs/dbraw/zinc/52/49/88/328524988.db2.gz MALIFBMAFXIBQE-UHFFFAOYSA-N 0 3 261.312 3.113 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000289978211 328527794 /nfs/dbraw/zinc/52/77/94/328527794.db2.gz XTJQYPULFUYGPD-OCCSQVGLSA-N 0 3 265.422 3.385 20 30 CGEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)C[C@@H](CC)O1 ZINC000398521943 328594369 /nfs/dbraw/zinc/59/43/69/328594369.db2.gz MVPZGLHTTBZDGR-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000558431683 327094022 /nfs/dbraw/zinc/09/40/22/327094022.db2.gz NGSFBNHTMVQMDO-HIEASXQVSA-N 0 3 296.414 3.454 20 30 CGEDHN CC#CCN[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000558901752 327130484 /nfs/dbraw/zinc/13/04/84/327130484.db2.gz KRTKAEZDRAQSPS-IRXDYDNUSA-N 0 3 292.373 3.102 20 30 CGEDHN C=CCC[C@@H](NC[C@H](CO)C(C)C)c1ccco1 ZINC000554373393 327215003 /nfs/dbraw/zinc/21/50/03/327215003.db2.gz HBWIWIAUGRWDNJ-ZIAGYGMSSA-N 0 3 251.370 3.141 20 30 CGEDHN C=CCOCCCN[C@H](C)c1ccc(Br)cn1 ZINC000361399849 328923724 /nfs/dbraw/zinc/92/37/24/328923724.db2.gz JSSJAOOCBIYOEB-LLVKDONJSA-N 0 3 299.212 3.087 20 30 CGEDHN Cn1cc(CNCCCC#N)c(-c2cc3ccccc3o2)n1 ZINC000378648692 329058158 /nfs/dbraw/zinc/05/81/58/329058158.db2.gz LQTWARALVBKIQT-UHFFFAOYSA-N 0 3 294.358 3.227 20 30 CGEDHN CCCCCCCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171442668 329076070 /nfs/dbraw/zinc/07/60/70/329076070.db2.gz BOYMRSLMOQSTRZ-INIZCTEOSA-N 0 3 280.456 3.434 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)CCCC#N)C1(CC)CC ZINC000177405791 329184139 /nfs/dbraw/zinc/18/41/39/329184139.db2.gz BYQZMIACNQVEIT-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181296963 329230315 /nfs/dbraw/zinc/23/03/15/329230315.db2.gz BRFAYQIMZHHNSR-AWEZNQCLSA-N 0 3 250.345 3.423 20 30 CGEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000185811946 329329687 /nfs/dbraw/zinc/32/96/87/329329687.db2.gz YCSLUQSDIMJJDC-MBNYWOFBSA-N 0 3 272.348 3.148 20 30 CGEDHN C=CC[C@@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000189015163 329375149 /nfs/dbraw/zinc/37/51/49/329375149.db2.gz VIYZNUQRZWRWSH-QZTJIDSGSA-N 0 3 298.430 3.043 20 30 CGEDHN C=CCCCCN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000571988684 329935201 /nfs/dbraw/zinc/93/52/01/329935201.db2.gz WMYKASPHFSYDFM-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN C=C(CN[C@@H](C)c1cnn(CC)c1)c1ccccc1 ZINC000268857924 330066736 /nfs/dbraw/zinc/06/67/36/330066736.db2.gz UZBBDNJTIASCAE-AWEZNQCLSA-N 0 3 255.365 3.267 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](c1ccc(OC)cc1F)C1CC1 ZINC000421830567 330084744 /nfs/dbraw/zinc/08/47/44/330084744.db2.gz CBDWJEUOLOLDNV-SJCJKPOMSA-N 0 3 293.382 3.060 20 30 CGEDHN C=C(C)CN1CCC(N[C@@H](C)c2ccncc2Cl)CC1 ZINC000421840280 330093456 /nfs/dbraw/zinc/09/34/56/330093456.db2.gz YNRANPKKYZZKBU-ZDUSSCGKSA-N 0 3 293.842 3.426 20 30 CGEDHN C=C(C)COCCN[C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000421846407 330094927 /nfs/dbraw/zinc/09/49/27/330094927.db2.gz SIGWJDBAOQHYHN-QGZVFWFLSA-N 0 3 293.382 3.468 20 30 CGEDHN COc1cc(CNCc2ccc(CC#N)cc2)ccc1C ZINC000574988860 330124677 /nfs/dbraw/zinc/12/46/77/330124677.db2.gz RWOOKROZDUKRAY-UHFFFAOYSA-N 0 3 280.371 3.360 20 30 CGEDHN C=CCCCCN1CCc2nc(C(C)C)ncc2C1 ZINC000527619135 330266154 /nfs/dbraw/zinc/26/61/54/330266154.db2.gz BQSZZIVBGOSXAU-UHFFFAOYSA-N 0 3 259.397 3.314 20 30 CGEDHN C=C(C)CN1CCC(NCc2c(F)cc(C)cc2F)CC1 ZINC000424139750 330280149 /nfs/dbraw/zinc/28/01/49/330280149.db2.gz FHRLSJSWJYKQAM-UHFFFAOYSA-N 0 3 294.389 3.403 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc2c(c1)OC(F)(F)O2 ZINC000424178016 330317677 /nfs/dbraw/zinc/31/76/77/330317677.db2.gz VUACGNDBAVNQMJ-UHFFFAOYSA-N 0 3 282.290 3.038 20 30 CGEDHN C=C(C)COc1cc(CN[C@H]2CC23CC3)ccc1OC ZINC000424185218 330320389 /nfs/dbraw/zinc/32/03/89/330320389.db2.gz OROIDAICOXPEJA-INIZCTEOSA-N 0 3 273.376 3.292 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000106341196 330335603 /nfs/dbraw/zinc/33/56/03/330335603.db2.gz JYYOJABEJYVMLI-INIZCTEOSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCCCC23CCCC3)nn1 ZINC000424297045 330336186 /nfs/dbraw/zinc/33/61/86/330336186.db2.gz PRDKTYTVXWHOOC-OAHLLOKOSA-N 0 3 274.412 3.057 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC ZINC000424324943 330341228 /nfs/dbraw/zinc/34/12/28/330341228.db2.gz KLAXFPJVLZCNIY-GUTXKFCHSA-N 0 3 258.365 3.428 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CSCCc3ccccc32)C1 ZINC000424331147 330342293 /nfs/dbraw/zinc/34/22/93/330342293.db2.gz RNTIMGSVGJZZMO-IVMMDQJWSA-N 0 3 272.417 3.299 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)cc(F)c1 ZINC000424333002 330342756 /nfs/dbraw/zinc/34/27/56/330342756.db2.gz UBILZIGUMPDOSP-PKFCDNJMSA-N 0 3 250.292 3.308 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC=CCC1)C(C)C ZINC000046049419 330351055 /nfs/dbraw/zinc/35/10/55/330351055.db2.gz MWRGDQRXDOKMBN-SJORKVTESA-N 0 3 290.451 3.158 20 30 CGEDHN COC[C@H](N[C@H](CCC#N)c1ccccc1)C1CC1 ZINC000090664714 330394598 /nfs/dbraw/zinc/39/45/98/330394598.db2.gz FASGDVFRHPEBTB-CVEARBPZSA-N 0 3 258.365 3.046 20 30 CGEDHN COC[C@H](N[C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000090664698 330394645 /nfs/dbraw/zinc/39/46/45/330394645.db2.gz FASGDVFRHPEBTB-HOTGVXAUSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CC[C@H](C)NCc1nc2ccc(F)cc2s1 ZINC000428865238 330533211 /nfs/dbraw/zinc/53/32/11/330533211.db2.gz VUHQGWZKGZKUPC-VIFPVBQESA-N 0 3 250.342 3.490 20 30 CGEDHN N#CCCC[C@H](NCC(=O)NC1CCCC1)c1ccccc1 ZINC000433033442 330613406 /nfs/dbraw/zinc/61/34/06/330613406.db2.gz VOBPCVPEMDOJBQ-KRWDZBQOSA-N 0 3 299.418 3.070 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000442839738 330786279 /nfs/dbraw/zinc/78/62/79/330786279.db2.gz UPPREFGMDPGUTL-TYNCELHUSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H](CCO)c1ccco1 ZINC000449249192 330909721 /nfs/dbraw/zinc/90/97/21/330909721.db2.gz LEIUDIOQYQFCHN-KGLIPLIRSA-N 0 3 251.370 3.428 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2c(cc(C)cc2C)[nH]1 ZINC000449523847 330933825 /nfs/dbraw/zinc/93/38/25/330933825.db2.gz YVPAEUBQOQARMC-WBVHZDCISA-N 0 3 270.376 3.218 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C(C)C)C2)CCCC1 ZINC000450932688 331007921 /nfs/dbraw/zinc/00/79/21/331007921.db2.gz SGSGSTNUTXXMKV-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2ccccc2Cl)[C@H]2CCO[C@H]21 ZINC000451473511 331030805 /nfs/dbraw/zinc/03/08/05/331030805.db2.gz WOHQKSYAUSSAJB-FVQBIDKESA-N 0 3 289.806 3.095 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1Oc1cccnc1 ZINC000451607786 331036501 /nfs/dbraw/zinc/03/65/01/331036501.db2.gz QOBFDCPYABINMP-SJORKVTESA-N 0 3 296.370 3.307 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccccc2s1 ZINC000451674142 331038526 /nfs/dbraw/zinc/03/85/26/331038526.db2.gz MRJOKKPJNKJSCF-YPMHNXCESA-N 0 3 274.389 3.120 20 30 CGEDHN C=CCCN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451915248 331047179 /nfs/dbraw/zinc/04/71/79/331047179.db2.gz TZPQKXOTOHPPDU-CYBMUJFWSA-N 0 3 274.191 3.367 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453144180 331093772 /nfs/dbraw/zinc/09/37/72/331093772.db2.gz QDVAGFLFRBQEJC-CHWSQXEVSA-N 0 3 255.365 3.312 20 30 CGEDHN C[C@H](NCCCC#N)c1cc(-c2ccccc2)nn1C ZINC000453193806 331099840 /nfs/dbraw/zinc/09/98/40/331099840.db2.gz MQUKHRBOSHZWHW-ZDUSSCGKSA-N 0 3 268.364 3.041 20 30 CGEDHN C=CC(C)(C)CN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000453307991 331114205 /nfs/dbraw/zinc/11/42/05/331114205.db2.gz MJCRAGKZKFZNFU-INIZCTEOSA-N 0 3 287.382 3.450 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(OC)ccc1OC ZINC000453333672 331118180 /nfs/dbraw/zinc/11/81/80/331118180.db2.gz DFDLXZAMJRKTAZ-WQVCFCJDSA-N 0 3 291.391 3.088 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cc(C)ccc1OC ZINC000453354282 331121403 /nfs/dbraw/zinc/12/14/03/331121403.db2.gz KTEAGAYUZDIZIA-XHSDSOJGSA-N 0 3 275.392 3.388 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000457064248 331211271 /nfs/dbraw/zinc/21/12/71/331211271.db2.gz FVNCSZHKBFQNOR-QKCSRTOESA-N 0 3 276.767 3.252 20 30 CGEDHN C=CC[C@H](CO)CNCc1c(F)cc(C)cc1Cl ZINC000459455977 331282236 /nfs/dbraw/zinc/28/22/36/331282236.db2.gz DJEUKMOOFUXMSW-NSHDSACASA-N 0 3 271.763 3.062 20 30 CGEDHN CN(Cc1ccccc1)C1CN(CC(C)(C)CCC#N)C1 ZINC000459589633 331289656 /nfs/dbraw/zinc/28/96/56/331289656.db2.gz ICVMUFJYDOZQOX-UHFFFAOYSA-N 0 3 285.435 3.133 20 30 CGEDHN CC(C)(CC#N)CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000459692529 331294755 /nfs/dbraw/zinc/29/47/55/331294755.db2.gz MABSBKOAMMWWIS-UHFFFAOYSA-N 0 3 294.782 3.141 20 30 CGEDHN CC(C)(CC#N)CNCc1cccc(OC(F)F)c1 ZINC000459700680 331295035 /nfs/dbraw/zinc/29/50/35/331295035.db2.gz SWXLFVKCPFAGMI-UHFFFAOYSA-N 0 3 268.307 3.317 20 30 CGEDHN COc1ccc(CNCC(C)(C)CC#N)c(C)c1OC ZINC000459726766 331295988 /nfs/dbraw/zinc/29/59/88/331295988.db2.gz FOCIRMBMAJNNKU-UHFFFAOYSA-N 0 3 276.380 3.042 20 30 CGEDHN C=CCN(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000464779107 331367663 /nfs/dbraw/zinc/36/76/63/331367663.db2.gz QVXRWADYPOQSIA-QGZVFWFLSA-N 0 3 259.393 3.205 20 30 CGEDHN C=CCCCCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000489035400 332038804 /nfs/dbraw/zinc/03/88/04/332038804.db2.gz DBJFUVNETMIKMM-CHWSQXEVSA-N 0 3 279.346 3.368 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(C(=O)OC)cc1 ZINC000489438502 332052178 /nfs/dbraw/zinc/05/21/78/332052178.db2.gz MDQJGKZLDKIGQI-OAHLLOKOSA-N 0 3 259.349 3.014 20 30 CGEDHN C#C[C@H](NC[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000491307694 332186987 /nfs/dbraw/zinc/18/69/87/332186987.db2.gz RGJRGJSKQQRLIR-FZMZJTMJSA-N 0 3 265.809 3.357 20 30 CGEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000491667235 332275680 /nfs/dbraw/zinc/27/56/80/332275680.db2.gz HXYTZJWJIKAXTG-QWHCGFSZSA-N 0 3 292.810 3.367 20 30 CGEDHN C#C[C@@H](N[C@H](C)Cc1ccn(C(C)C)n1)C(C)(C)C ZINC000491709927 332302044 /nfs/dbraw/zinc/30/20/44/332302044.db2.gz QDWHOYKTSCQPDF-UKRRQHHQSA-N 0 3 261.413 3.033 20 30 CGEDHN C#C[C@@H](CC)NCc1cccc(OCc2ccccn2)c1 ZINC000491749369 332326362 /nfs/dbraw/zinc/32/63/62/332326362.db2.gz ZCXPRKXKFRCKIK-INIZCTEOSA-N 0 3 280.371 3.162 20 30 CGEDHN C=C(CC)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493926021 332458340 /nfs/dbraw/zinc/45/83/40/332458340.db2.gz NKOVTFMMGOOWTA-HUUCEWRRSA-N 0 3 267.319 3.351 20 30 CGEDHN C=C(CC)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493926019 332458350 /nfs/dbraw/zinc/45/83/50/332458350.db2.gz NKOVTFMMGOOWTA-CABCVRRESA-N 0 3 267.319 3.351 20 30 CGEDHN C=CC[C@H](CC)NC(=O)N(CCC)CCN1CCCCC1 ZINC000504091620 332703857 /nfs/dbraw/zinc/70/38/57/332703857.db2.gz SSZCVQRIJMNPIP-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000185882400 333150900 /nfs/dbraw/zinc/15/09/00/333150900.db2.gz PZSYYPMRHCMLIQ-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCNC(=O)[C@H](C)N(CC)C[C@@H](CC)c1ccccc1 ZINC000186623220 333163734 /nfs/dbraw/zinc/16/37/34/333163734.db2.gz XBNUKKOZEINMTB-JKSUJKDBSA-N 0 3 288.435 3.193 20 30 CGEDHN C=CCN(CC[C@@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000188916167 333176056 /nfs/dbraw/zinc/17/60/56/333176056.db2.gz KAAMVZYUIDAEPD-INIZCTEOSA-N 0 3 290.363 3.152 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(C(F)(F)F)cc1C ZINC000191077088 333214671 /nfs/dbraw/zinc/21/46/71/333214671.db2.gz WPCYGIOVPDEYFV-ZDUSSCGKSA-N 0 3 273.298 3.040 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000191131271 333215698 /nfs/dbraw/zinc/21/56/98/333215698.db2.gz ISPZTQVIVSJKHV-FUHWJXTLSA-N 0 3 288.435 3.316 20 30 CGEDHN CS[C@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000192120759 333229952 /nfs/dbraw/zinc/22/99/52/333229952.db2.gz SCVMHAXFDIEISL-INIZCTEOSA-N 0 3 259.418 3.256 20 30 CGEDHN CC1(C#N)CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000227521130 333284658 /nfs/dbraw/zinc/28/46/58/333284658.db2.gz HHKFEANIZFUHHJ-CQSZACIVSA-N 0 3 270.376 3.178 20 30 CGEDHN C=C(CC)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000538015606 333571029 /nfs/dbraw/zinc/57/10/29/333571029.db2.gz ONBUKQKEOKUYQY-UKRRQHHQSA-N 0 3 261.365 3.093 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000538332515 333585431 /nfs/dbraw/zinc/58/54/31/333585431.db2.gz GCPFPUMZFAFYOT-HZPDHXFCSA-N 0 3 280.456 3.358 20 30 CGEDHN CC[C@@H](NCC#Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000544455093 333932229 /nfs/dbraw/zinc/93/22/29/333932229.db2.gz NSAPQLMEJFNWSS-HZPDHXFCSA-N 0 3 277.795 3.239 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000549187556 334187411 /nfs/dbraw/zinc/18/74/11/334187411.db2.gz PKYCYODBYQPJBI-CYBMUJFWSA-N 0 3 275.392 3.490 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000549187557 334187418 /nfs/dbraw/zinc/18/74/18/334187418.db2.gz PKYCYODBYQPJBI-ZDUSSCGKSA-N 0 3 275.392 3.490 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@@H](C#N)C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000550065340 334212315 /nfs/dbraw/zinc/21/23/15/334212315.db2.gz ZTTRJQIXHRBVRL-LFRCEIEQSA-N 0 3 288.435 3.348 20 30 CGEDHN CCS[C@@H]1CCCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000249256797 334330516 /nfs/dbraw/zinc/33/05/16/334330516.db2.gz HNVIVQVKBRMNLB-HZSPNIEDSA-N 0 3 265.426 3.084 20 30 CGEDHN CC[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)N(CC)CC ZINC000555210638 334471108 /nfs/dbraw/zinc/47/11/08/334471108.db2.gz YMTHAYQJROAHIK-DOTOQJQBSA-N 0 3 293.455 3.086 20 30 CGEDHN COc1ccc(CN2CCC(CC#N)CC2)c(C)c1OC ZINC000565331252 334553110 /nfs/dbraw/zinc/55/31/10/334553110.db2.gz HKBMMKOKBMVFDU-UHFFFAOYSA-N 0 3 288.391 3.138 20 30 CGEDHN N#CCCn1cc(CN[C@H]2CC23CC3)c(-c2ccccc2)n1 ZINC000566095083 334621768 /nfs/dbraw/zinc/62/17/68/334621768.db2.gz HOROVLXCZNQWKP-INIZCTEOSA-N 0 3 292.386 3.106 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000154223863 334690940 /nfs/dbraw/zinc/69/09/40/334690940.db2.gz DRAHFHYCTOXJLY-QWRGUYRKSA-N 0 3 264.325 3.219 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](OC)C(C)C)cc1 ZINC000344717026 335263877 /nfs/dbraw/zinc/26/38/77/335263877.db2.gz RABNTEGYGPGMTO-MRXNPFEDSA-N 0 3 263.381 3.012 20 30 CGEDHN C[C@H]1Cc2ccccc2N1CCNCc1cc(C#N)cs1 ZINC000177691884 335379208 /nfs/dbraw/zinc/37/92/08/335379208.db2.gz GJRSGALORLCCBB-ZDUSSCGKSA-N 0 3 297.427 3.161 20 30 CGEDHN Cc1ccccc1O[C@@H](C)CNCc1cc(C#N)cs1 ZINC000177707108 335380306 /nfs/dbraw/zinc/38/03/06/335380306.db2.gz OWXUTEDTUVWHLV-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000182344217 335812051 /nfs/dbraw/zinc/81/20/51/335812051.db2.gz IPAJIEYASXNMJP-GDBMZVCRSA-N 0 3 274.408 3.150 20 30 CGEDHN C[C@@H](CCc1cccc(F)c1)N1CCC(C#N)CC1 ZINC000183218866 335880082 /nfs/dbraw/zinc/88/00/82/335880082.db2.gz YONXFTTXULTCPS-ZDUSSCGKSA-N 0 3 260.356 3.382 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(C(F)(F)F)cc1 ZINC000195000332 336042348 /nfs/dbraw/zinc/04/23/48/336042348.db2.gz HCXOHOVTGPJNIL-UHFFFAOYSA-N 0 3 273.298 3.340 20 30 CGEDHN C[C@H](NCc1ccc(C#N)o1)[C@H]1CC2CCC1CC2 ZINC000381594991 336069215 /nfs/dbraw/zinc/06/92/15/336069215.db2.gz FFYYTCSNLRGCIR-PIISCBOPSA-N 0 3 258.365 3.456 20 30 CGEDHN CC[C@@H](O)CCCN[C@@H](CCC#N)c1ccc(OC)cc1 ZINC000581924058 336168899 /nfs/dbraw/zinc/16/88/99/336168899.db2.gz ROHYUOHLVCWTJO-WBVHZDCISA-N 0 3 290.407 3.181 20 30 CGEDHN C[C@@H]1C[C@H](CN(CCC#N)CC(C)(C)C)CCO1 ZINC000352690403 533839908 /nfs/dbraw/zinc/83/99/08/533839908.db2.gz DTMTULJJHPERRF-ZIAGYGMSSA-N 0 3 252.402 3.063 20 30 CGEDHN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1ccc(C#N)c(F)c1 ZINC000427980521 533880293 /nfs/dbraw/zinc/88/02/93/533880293.db2.gz UEGATGMKYVJNIU-FZMZJTMJSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@@H]1Cc2ccccc2CN1CCOc1cccc(C#N)c1 ZINC000357772654 534073831 /nfs/dbraw/zinc/07/38/31/534073831.db2.gz CQAULASARHWASG-OAHLLOKOSA-N 0 3 292.382 3.384 20 30 CGEDHN C[C@@H]1CC[C@@]2(CCN(Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000368086555 534205332 /nfs/dbraw/zinc/20/53/32/534205332.db2.gz QNXACZFPALAVCL-RDTXWAMCSA-N 0 3 294.402 3.218 20 30 CGEDHN CC(C)CCn1cccc1CNCC1(CC#N)CC1 ZINC000430020653 517415801 /nfs/dbraw/zinc/41/58/01/517415801.db2.gz HSFAKYJCAOJRSG-UHFFFAOYSA-N 0 3 259.397 3.318 20 30 CGEDHN CCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1O ZINC000130761609 521333875 /nfs/dbraw/zinc/33/38/75/521333875.db2.gz LBINCOHQOBTNRO-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN CC[C@@H]1CCCCN1CCOc1ccc(C#N)cc1OC ZINC000157308297 523175961 /nfs/dbraw/zinc/17/59/61/523175961.db2.gz LSRHAIYESYMGPP-OAHLLOKOSA-N 0 3 288.391 3.210 20 30 CGEDHN N#Cc1cccc(CN2CCSC3(CCC3)CC2)c1 ZINC000411870520 534806592 /nfs/dbraw/zinc/80/65/92/534806592.db2.gz OYZLGAZSLKTZQI-UHFFFAOYSA-N 0 3 272.417 3.420 20 30 CGEDHN C=CCN1CC[C@H](N2C[C@H](C)CC[C@H]2c2ccccc2)C1=O ZINC000352801904 526512775 /nfs/dbraw/zinc/51/27/75/526512775.db2.gz UJQUSHIWIIZBHI-NJAFHUGGSA-N 0 3 298.430 3.247 20 30 CGEDHN C#CCCOc1ccc(CNCc2cccc(OC)c2)cc1 ZINC000113314360 526745315 /nfs/dbraw/zinc/74/53/15/526745315.db2.gz UAUCNZGROHOLSU-UHFFFAOYSA-N 0 3 295.382 3.387 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cscc1C(F)(F)F ZINC000352805969 527079835 /nfs/dbraw/zinc/07/98/35/527079835.db2.gz YVCRFDHOKKTLKZ-SECBINFHSA-N 0 3 279.327 3.041 20 30 CGEDHN C#CCOc1ccc(C[NH2+]Cc2cc(C)c(C)cc2[O-])cc1 ZINC000295093978 527104901 /nfs/dbraw/zinc/10/49/01/527104901.db2.gz UCKHUJOSJDEGPL-UHFFFAOYSA-N 0 3 295.382 3.311 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC000352265429 527126501 /nfs/dbraw/zinc/12/65/01/527126501.db2.gz KWRJRPNYULOQSW-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@H]1CCCc2cn(CCOC)nc21 ZINC000355033401 527140050 /nfs/dbraw/zinc/14/00/50/527140050.db2.gz JLNJVKLMMQXXPR-LZWOXQAQSA-N 0 3 291.439 3.097 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000346976276 527193572 /nfs/dbraw/zinc/19/35/72/527193572.db2.gz ZLKTXTTVOMLLKZ-GJZGRUSLSA-N 0 3 286.419 3.251 20 30 CGEDHN C=CC[C@H]1N(Cc2ccnc(C)n2)CCCC1(C)C ZINC000353230291 527226705 /nfs/dbraw/zinc/22/67/05/527226705.db2.gz LQXUDGVBTAUGTK-OAHLLOKOSA-N 0 3 259.397 3.352 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000344461425 527272801 /nfs/dbraw/zinc/27/28/01/527272801.db2.gz MUROOBAFXQVRIX-ZIAGYGMSSA-N 0 3 285.395 3.058 20 30 CGEDHN C=CCCOCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352809249 527366430 /nfs/dbraw/zinc/36/64/30/527366430.db2.gz GSKHELRUYCSWLI-UHFFFAOYSA-N 0 3 298.308 3.259 20 30 CGEDHN C=CCC[C@H](NCC[C@H](C)[S@@](C)=O)c1ccco1 ZINC000353612503 527484453 /nfs/dbraw/zinc/48/44/53/527484453.db2.gz JONDUGJJMRQTCP-ZJNRKIDTSA-N 0 3 269.410 3.034 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000450661652 536512759 /nfs/dbraw/zinc/51/27/59/536512759.db2.gz FYKQUBUZVGMPJF-HNAYVOBHSA-N 0 3 294.398 3.467 20 30 CGEDHN CCN(CCC1CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000355035870 528423548 /nfs/dbraw/zinc/42/35/48/528423548.db2.gz IROFFQNCLNDBFE-UHFFFAOYSA-N 0 3 299.418 3.055 20 30 CGEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000344320157 528563894 /nfs/dbraw/zinc/56/38/94/528563894.db2.gz KVRNQOLEXQKUKE-GXFFZTMASA-N 0 3 264.756 3.313 20 30 CGEDHN CC(C)[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)(C)O ZINC000357786761 528598526 /nfs/dbraw/zinc/59/85/26/528598526.db2.gz JVPBWKZQHWPOQJ-IAQYHMDHSA-N 0 3 278.371 3.143 20 30 CGEDHN c1nncn1N=C(Cc1ccccc1)C1CCCCC1 ZINC000727058297 571710089 /nfs/dbraw/zinc/71/00/89/571710089.db2.gz PRGACBDONOMKPJ-UHFFFAOYSA-N 0 3 268.364 3.305 20 30 CGEDHN CCCN(CC)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000727821388 571771143 /nfs/dbraw/zinc/77/11/43/571771143.db2.gz YXMWPQYFFWKTQU-UHFFFAOYSA-N 0 3 268.364 3.111 20 30 CGEDHN CCCCCCC[NH2+]Cc1c([O-])cccc1OC ZINC000725841742 572435643 /nfs/dbraw/zinc/43/56/43/572435643.db2.gz MMZRTALYUIHKIS-UHFFFAOYSA-N 0 3 251.370 3.461 20 30 CGEDHN CCN(CC1CC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000732663334 572477032 /nfs/dbraw/zinc/47/70/32/572477032.db2.gz SUOAEZRIWHGVEQ-UHFFFAOYSA-N 0 3 280.375 3.111 20 30 CGEDHN C=C(Cl)CN(CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000741054730 572480018 /nfs/dbraw/zinc/48/00/18/572480018.db2.gz UJFQCEZRBWWKPU-XQQFMLRXSA-N 0 3 257.805 3.264 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc3ccccc3n2)CCN1C ZINC000741451484 572498595 /nfs/dbraw/zinc/49/85/95/572498595.db2.gz ILIZUKFRWPTIIY-LBPRGKRZSA-N 0 3 268.364 3.117 20 30 CGEDHN CCCCCCCCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000741625770 572515285 /nfs/dbraw/zinc/51/52/85/572515285.db2.gz SAPLPISZWTWACF-OAHLLOKOSA-N 0 3 268.445 3.290 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000743497019 572666521 /nfs/dbraw/zinc/66/65/21/572666521.db2.gz VKKJSNZUNDWKOR-HNNXBMFYSA-N 0 3 290.366 3.421 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1C#N ZINC000743495283 572666878 /nfs/dbraw/zinc/66/68/78/572666878.db2.gz BYNVRDSRNGEXGT-ZDUSSCGKSA-N 0 3 291.354 3.289 20 30 CGEDHN CCCC=CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000735208239 572708924 /nfs/dbraw/zinc/70/89/24/572708924.db2.gz XSFUGRYAOPBHGY-VUQUXZKVSA-N 0 3 254.289 3.360 20 30 CGEDHN CC(C)N(CC1CC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744137207 572713105 /nfs/dbraw/zinc/71/31/05/572713105.db2.gz LNNNSWNSZTWUTG-UHFFFAOYSA-N 0 3 294.402 3.500 20 30 CGEDHN CCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735310061 572714355 /nfs/dbraw/zinc/71/43/55/572714355.db2.gz PHTWTHPHLWZVFZ-UHFFFAOYSA-N 0 3 252.745 3.084 20 30 CGEDHN C#CCN(CC)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000746457972 572872686 /nfs/dbraw/zinc/87/26/86/572872686.db2.gz XIGANNHELIDTKG-LLVKDONJSA-N 0 3 253.292 3.304 20 30 CGEDHN COc1ccc(CNCc2cccc(C)c2C)cc1C#N ZINC000746743560 572893985 /nfs/dbraw/zinc/89/39/85/572893985.db2.gz ZZBRHFWZZMUBRL-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC12CCCC2 ZINC000747477994 572931384 /nfs/dbraw/zinc/93/13/84/572931384.db2.gz DIIVEAQNZDDFQV-OLZOCXBDSA-N 0 3 293.370 3.330 20 30 CGEDHN CCCCCCCC(=O)N(CCN(C)C)C(C)C ZINC000749027045 572988492 /nfs/dbraw/zinc/98/84/92/572988492.db2.gz SDGPPDZGWKYVHR-UHFFFAOYSA-N 0 3 256.434 3.146 20 30 CGEDHN N#Cc1ccc(CNC[C@H](O)c2cccc(Cl)c2)s1 ZINC000749109432 572989253 /nfs/dbraw/zinc/98/92/53/572989253.db2.gz OZBQUFVSWYQMFQ-AWEZNQCLSA-N 0 3 292.791 3.096 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000969735524 613302375 /nfs/dbraw/zinc/30/23/75/613302375.db2.gz VENFLLNBSIBYAZ-HOTGVXAUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC000968998435 613306517 /nfs/dbraw/zinc/30/65/17/613306517.db2.gz WECLEIMLTCLQHQ-OAHLLOKOSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cccs1 ZINC000968738680 613306651 /nfs/dbraw/zinc/30/66/51/613306651.db2.gz YKRDGGNAHKFNSE-CQSZACIVSA-N 0 3 292.448 3.299 20 30 CGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccoc1C ZINC000968741692 613306831 /nfs/dbraw/zinc/30/68/31/613306831.db2.gz XHFCOTLONMFOCM-OAHLLOKOSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967491870 613333635 /nfs/dbraw/zinc/33/36/35/613333635.db2.gz AVYFKZQPJOMTQP-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965450503 613333928 /nfs/dbraw/zinc/33/39/28/613333928.db2.gz QIBOROHTNHHIHA-DOTOQJQBSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975004735 613337652 /nfs/dbraw/zinc/33/76/52/613337652.db2.gz HWQTZMFHNUJIIT-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974938876 613337850 /nfs/dbraw/zinc/33/78/50/613337850.db2.gz VMOISVWIMJZJOF-LSDHHAIUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974720291 613341507 /nfs/dbraw/zinc/34/15/07/613341507.db2.gz MLWRCQKSUIGJBK-CVEARBPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCCN1CCCN(C(=O)C(C)(C)C2CCCC2)CC1 ZINC000981350153 613491637 /nfs/dbraw/zinc/49/16/37/613491637.db2.gz HLEHVBJBRVDZBL-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2sccc2C)C1 ZINC000964682908 613531040 /nfs/dbraw/zinc/53/10/40/613531040.db2.gz GQCLJFKGJMEWRZ-JSGCOSHPSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC000972736509 613615105 /nfs/dbraw/zinc/61/51/05/613615105.db2.gz YXSIEODTMWOSSU-CVEARBPZSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000971640785 613620467 /nfs/dbraw/zinc/62/04/67/613620467.db2.gz IRLGQFUFVPZWKD-GOSISDBHSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)C3CCCCCC3)C2)C1 ZINC000981663205 613677587 /nfs/dbraw/zinc/67/75/87/613677587.db2.gz BPKQVNWJKIISCC-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000940709642 613780186 /nfs/dbraw/zinc/78/01/86/613780186.db2.gz JJHFSQXFJLUVEY-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2Cl)C[C@@H]1C ZINC000947958033 613791912 /nfs/dbraw/zinc/79/19/12/613791912.db2.gz OPSITOOJPVXBLY-STQMWFEESA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2occc2C(C)C)C[C@H]1C ZINC000947652822 613800879 /nfs/dbraw/zinc/80/08/79/613800879.db2.gz FGJYCXSHEPWMJZ-KGLIPLIRSA-N 0 3 290.407 3.172 20 30 CGEDHN CCCCCCCC[C@H](N)c1nc(C2(N)CCC2)no1 ZINC000900008904 620745344 /nfs/dbraw/zinc/74/53/44/620745344.db2.gz QPPUKDFAXYLWEW-LBPRGKRZSA-N 0 3 280.416 3.158 20 30 CGEDHN CN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000077012565 618139563 /nfs/dbraw/zinc/13/95/63/618139563.db2.gz DWVSDTZUSPBPSF-UHFFFAOYSA-N 0 3 266.344 3.221 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC001022332884 618295108 /nfs/dbraw/zinc/29/51/08/618295108.db2.gz HXTPVUFVVNRPGZ-KBXIAJHMSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]2CCC)C1 ZINC001022332882 618295803 /nfs/dbraw/zinc/29/58/03/618295803.db2.gz HXTPVUFVVNRPGZ-APIJFGDWSA-N 0 3 298.858 3.192 20 30 CGEDHN CCN(CCc1ccccn1)Cc1csc(C#N)c1 ZINC000891786693 618297440 /nfs/dbraw/zinc/29/74/40/618297440.db2.gz QRBFDSWJGHXTJJ-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN C=CCCn1cc(CNC2(C3CCCCC3)CC2)nn1 ZINC000934787486 618689682 /nfs/dbraw/zinc/68/96/82/618689682.db2.gz AUCVFPWPRVAPBW-UHFFFAOYSA-N 0 3 274.412 3.057 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1nn(CC)nc1C ZINC000926591658 618755771 /nfs/dbraw/zinc/75/57/71/618755771.db2.gz MZBPWSHTBFWQMM-RHSMWYFYSA-N 0 3 298.434 3.444 20 30 CGEDHN CN(C)[C@H](CNCC#Cc1ccccc1)c1cccc(F)c1 ZINC000892420523 618768154 /nfs/dbraw/zinc/76/81/54/618768154.db2.gz RWIHDDFSLKYUOR-LJQANCHMSA-N 0 3 296.389 3.070 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@@H](c1ccco1)N1CCCC1 ZINC000892431622 618777477 /nfs/dbraw/zinc/77/74/77/618777477.db2.gz UBUMIFFLBJBFDH-SFHVURJKSA-N 0 3 294.398 3.058 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCF)cc1 ZINC000892489157 618808035 /nfs/dbraw/zinc/80/80/35/618808035.db2.gz FJNLGCSRYRZWLU-CQSZACIVSA-N 0 3 290.338 3.036 20 30 CGEDHN C=CCCc1noc(-c2ccc(CN3CCCCC3)o2)n1 ZINC000924083608 618892312 /nfs/dbraw/zinc/89/23/12/618892312.db2.gz IGFZTKUAKIRNHM-UHFFFAOYSA-N 0 3 287.363 3.434 20 30 CGEDHN COc1ccccc1OCCCNCC#Cc1ccccc1 ZINC000892888678 618949630 /nfs/dbraw/zinc/94/96/30/618949630.db2.gz JWNZYZNNLICAMO-UHFFFAOYSA-N 0 3 295.382 3.105 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)CC(C)(C)C#N)CO2 ZINC000925535075 619031129 /nfs/dbraw/zinc/03/11/29/619031129.db2.gz SUBNCSWVQCFZQJ-JSGCOSHPSA-N 0 3 258.365 3.347 20 30 CGEDHN C=C(Br)CN[C@@H](C)Cc1ccccc1F ZINC000162563889 619104820 /nfs/dbraw/zinc/10/48/20/619104820.db2.gz SMSYLUMTEWACSG-JTQLQIEISA-N 0 3 272.161 3.255 20 30 CGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(Cl)cc1 ZINC000776176741 619115633 /nfs/dbraw/zinc/11/56/33/619115633.db2.gz DTHJIUPPCCSGOW-UHFFFAOYSA-N 0 3 274.755 3.247 20 30 CGEDHN COCc1c(C)cc(C)c(CN2CCC(C#N)CC2)c1C ZINC000893983431 619346746 /nfs/dbraw/zinc/34/67/46/619346746.db2.gz BXZFJTNIRJRKER-UHFFFAOYSA-N 0 3 286.419 3.494 20 30 CGEDHN CCCOc1ccc(CN[C@H](C)CC(C)(C)C#N)cn1 ZINC000925000921 619484202 /nfs/dbraw/zinc/48/42/02/619484202.db2.gz USRALIHDNCFMPY-CYBMUJFWSA-N 0 3 275.396 3.288 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000925067760 619518999 /nfs/dbraw/zinc/51/89/99/619518999.db2.gz QYJOTGXBYITJMU-ZBFHGGJFSA-N 0 3 299.418 3.100 20 30 CGEDHN N#Cc1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000894736060 619617249 /nfs/dbraw/zinc/61/72/49/619617249.db2.gz NRJXOCQVSXOKFS-CABCVRRESA-N 0 3 258.390 3.240 20 30 CGEDHN Cc1nn(C(C)C)c(C)c1CNCC(C)(C)CC#N ZINC000894855599 619653643 /nfs/dbraw/zinc/65/36/43/619653643.db2.gz UTEJFPXRLMPDFO-UHFFFAOYSA-N 0 3 262.401 3.110 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1nccn1C1CC1 ZINC000894922994 619684327 /nfs/dbraw/zinc/68/43/27/619684327.db2.gz FABIPWXBVCFXGW-MRXNPFEDSA-N 0 3 281.403 3.495 20 30 CGEDHN N#Cc1cc(CN2C[C@]34COC[C@@]3(C2)CCCC4)cs1 ZINC000895475279 619835324 /nfs/dbraw/zinc/83/53/24/619835324.db2.gz YYLFFPXHDARVHO-IYBDPMFKSA-N 0 3 288.416 3.012 20 30 CGEDHN C=CC[C@H]1CCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895557837 619849530 /nfs/dbraw/zinc/84/95/30/619849530.db2.gz HYOSRSRDWBACIX-JTQLQIEISA-N 0 3 265.788 3.339 20 30 CGEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3cccs3)C2)nc1 ZINC000896660556 620042431 /nfs/dbraw/zinc/04/24/31/620042431.db2.gz QLGPRLFKDJPHBG-AWEZNQCLSA-N 0 3 298.415 3.091 20 30 CGEDHN Cc1cccc(CNN=Cc2ccc3c(c2)CCN3C)c1 ZINC000752734798 620292579 /nfs/dbraw/zinc/29/25/79/620292579.db2.gz QQMBZZGBBQOSCP-UHFFFAOYSA-N 0 3 279.387 3.111 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H](O)c1ccc(Cl)cc1 ZINC000785997439 620393826 /nfs/dbraw/zinc/39/38/26/620393826.db2.gz OMHOHRPOJSXDLX-GJZGRUSLSA-N 0 3 265.784 3.414 20 30 CGEDHN C/C(=C\c1ccccc1)CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897601880 620407219 /nfs/dbraw/zinc/40/72/19/620407219.db2.gz AEHDOLLFUCNLQZ-DTQAZKPQSA-N 0 3 297.398 3.428 20 30 CGEDHN CC1=CCC[C@@H](C)[C@@H]1CNCc1nc(C#N)cs1 ZINC000897628611 620413741 /nfs/dbraw/zinc/41/37/41/620413741.db2.gz LRRBBVPWOYBBSM-DGCLKSJQSA-N 0 3 261.394 3.097 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1cn(C)nc1C)c1cccc(C#N)c1 ZINC000902789705 621447164 /nfs/dbraw/zinc/44/71/64/621447164.db2.gz IYSIFDKIWMEDIO-YVEFUNNKSA-N 0 3 282.391 3.402 20 30 CGEDHN CC[C@@H](N[C@@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000902843171 621470977 /nfs/dbraw/zinc/47/09/77/621470977.db2.gz LOMNTRGINDXRNS-MSOLQXFVSA-N 0 3 280.371 3.333 20 30 CGEDHN CO[C@H](CN[C@H](C)c1cc(C#N)ccn1)C1CCCCC1 ZINC000903055556 621545165 /nfs/dbraw/zinc/54/51/65/621545165.db2.gz AKYZXJFSFZHDBS-CXAGYDPISA-N 0 3 287.407 3.199 20 30 CGEDHN C[C@H](N[C@H]1C[C@H](Oc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000903051443 621557363 /nfs/dbraw/zinc/55/73/63/621557363.db2.gz MJNVADCPHNVNJO-QRTARXTBSA-N 0 3 293.370 3.214 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1ccnn1C)c1cccc(C#N)c1 ZINC000903080992 621561596 /nfs/dbraw/zinc/56/15/96/621561596.db2.gz SJRDLXWCNFEQMM-SWLSCSKDSA-N 0 3 268.364 3.094 20 30 CGEDHN C=CCC[C@H](NCC(C)(C)C#N)[C@@]1(C)CCCCO1 ZINC000903101667 621574713 /nfs/dbraw/zinc/57/47/13/621574713.db2.gz KOBKKYPBJRAORW-GOEBONIOSA-N 0 3 264.413 3.420 20 30 CGEDHN N#Cc1cc(-c2cnc([C@@H]3CCCN3)nc2)ccc1C1CC1 ZINC000906198259 622195506 /nfs/dbraw/zinc/19/55/06/622195506.db2.gz GBPUJHWYKHQUIT-KRWDZBQOSA-N 0 3 290.370 3.317 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907807583 622313564 /nfs/dbraw/zinc/31/35/64/622313564.db2.gz MHMMUDKMBUOQTP-MRXNPFEDSA-N 0 3 297.402 3.472 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000912017654 622587677 /nfs/dbraw/zinc/58/76/77/622587677.db2.gz YBIMDONQEBQQQW-AWEZNQCLSA-N 0 3 298.789 3.121 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000912158634 622606091 /nfs/dbraw/zinc/60/60/91/622606091.db2.gz DUJUJYFEOYTQAS-IUODEOHRSA-N 0 3 278.371 3.029 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1C ZINC000912394104 622645761 /nfs/dbraw/zinc/64/57/61/622645761.db2.gz HWQQDKWCAFKSRO-SJORKVTESA-N 0 3 286.419 3.342 20 30 CGEDHN CCCCCCCN(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000158053832 622994299 /nfs/dbraw/zinc/99/42/99/622994299.db2.gz NNJSIHGQUJEYJN-OAHLLOKOSA-N 0 3 289.485 3.246 20 30 CGEDHN C#CCCCNCc1csc(-c2ccsc2)n1 ZINC000174610963 623412571 /nfs/dbraw/zinc/41/25/71/623412571.db2.gz DCOKVSOAZLFWBS-UHFFFAOYSA-N 0 3 262.403 3.375 20 30 CGEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cncc(C#N)c1 ZINC000929676283 623503604 /nfs/dbraw/zinc/50/36/04/623503604.db2.gz MZPBESAZWPUPRP-DYVFJYSZSA-N 0 3 295.361 3.470 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993198948 623944636 /nfs/dbraw/zinc/94/46/36/623944636.db2.gz FWZHCUYPJWCVPU-UKRRQHHQSA-N 0 3 292.448 3.215 20 30 CGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C(C)C ZINC000916903204 624221248 /nfs/dbraw/zinc/22/12/48/624221248.db2.gz LPRPMSWMLNWSDA-AWEZNQCLSA-N 0 3 286.375 3.115 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000916912014 624222048 /nfs/dbraw/zinc/22/20/48/624222048.db2.gz IBTIZAKPJSFIBG-AWEZNQCLSA-N 0 3 296.326 3.112 20 30 CGEDHN N#Cc1cccc(SCCN2CCCC2)c1Cl ZINC000920281634 624466787 /nfs/dbraw/zinc/46/67/87/624466787.db2.gz GETIARKINFHQMK-UHFFFAOYSA-N 0 3 266.797 3.400 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000237577344 624658777 /nfs/dbraw/zinc/65/87/77/624658777.db2.gz JTSSKBBKJANZKB-CYBMUJFWSA-N 0 3 284.334 3.406 20 30 CGEDHN Cc1ccc(O[C@H](C)CNCc2csc(C#N)c2)cc1 ZINC000921791236 625876233 /nfs/dbraw/zinc/87/62/33/625876233.db2.gz RPTXOUYEJQUWCE-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN N#Cc1cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cs1 ZINC000921961896 625946285 /nfs/dbraw/zinc/94/62/85/625946285.db2.gz XGSUFMZICYBAKO-WBVHZDCISA-N 0 3 298.411 3.487 20 30 CGEDHN Cc1cc(C)c(CNCc2c(C)cc(C#N)cc2C)cn1 ZINC000922168413 625978593 /nfs/dbraw/zinc/97/85/93/625978593.db2.gz PNQLWDIKDYMWSX-UHFFFAOYSA-N 0 3 279.387 3.477 20 30 CGEDHN CO[C@H](CNCc1csc(C#N)c1)C1CCCCC1 ZINC000922263456 625991721 /nfs/dbraw/zinc/99/17/21/625991721.db2.gz AANIGULKCTVBMJ-OAHLLOKOSA-N 0 3 278.421 3.305 20 30 CGEDHN C#CC[C@@H](COC)NCc1cccc(Oc2ccccn2)c1 ZINC000922298876 625994250 /nfs/dbraw/zinc/99/42/50/625994250.db2.gz LWMVCUDVCVCLRK-INIZCTEOSA-N 0 3 296.370 3.002 20 30 CGEDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)CC#N)c1[O-] ZINC000839163250 626330290 /nfs/dbraw/zinc/33/02/90/626330290.db2.gz KWWGFFQVNRYNTO-UHFFFAOYSA-N 0 3 282.771 3.084 20 30 CGEDHN C[C@@H]1CN(C)CC1N=Nc1ccccc1C(F)(F)F ZINC000752158481 626420449 /nfs/dbraw/zinc/42/04/49/626420449.db2.gz ZFMMRVHCCPNPPD-SECBINFHSA-N 0 3 271.286 3.055 20 30 CGEDHN CC[C@H](C)NN=Cc1ccc(N2CCCCC2)cc1 ZINC000790182621 626468064 /nfs/dbraw/zinc/46/80/64/626468064.db2.gz LDBSIPBCIYTYNC-AWEZNQCLSA-N 0 3 259.397 3.399 20 30 CGEDHN C#CCN[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000753915819 626468922 /nfs/dbraw/zinc/46/89/22/626468922.db2.gz XGAWHUHMASJERX-MRXNPFEDSA-N 0 3 292.373 3.103 20 30 CGEDHN CC(C)N1CC(N=Nc2c(F)cccc2F)[C@@H](C)C1 ZINC000754258074 626565435 /nfs/dbraw/zinc/56/54/35/626565435.db2.gz HANTTYSDHGQSSE-JTQLQIEISA-N 0 3 267.323 3.093 20 30 CGEDHN C=CCN(Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)C ZINC000754989739 626595477 /nfs/dbraw/zinc/59/54/77/626595477.db2.gz IMOGEVHAJRBFGB-UHFFFAOYSA-N 0 3 278.352 3.390 20 30 CGEDHN C=C(Br)CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000755121938 626601340 /nfs/dbraw/zinc/60/13/40/626601340.db2.gz XZHRJOAXLVLNKZ-WDMOLILDSA-N 0 3 296.208 3.438 20 30 CGEDHN CCc1nc(C=N[N-]c2cc(C)cc[nH+]2)c2ccccn21 ZINC000755770591 626645040 /nfs/dbraw/zinc/64/50/40/626645040.db2.gz LNMJWEJCXBPEDI-UHFFFAOYSA-N 0 3 279.347 3.046 20 30 CGEDHN COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1C#N ZINC000756758153 626730051 /nfs/dbraw/zinc/73/00/51/626730051.db2.gz FTPHOUZUKALIMP-CYBMUJFWSA-N 0 3 296.370 3.432 20 30 CGEDHN C#CCN(CCCOC(C)(C)C)Cc1ccc(F)cc1 ZINC000756807958 626733851 /nfs/dbraw/zinc/73/38/51/626733851.db2.gz BZPDCJZOYPMZEK-UHFFFAOYSA-N 0 3 277.383 3.466 20 30 CGEDHN C#C[C@@H](NCc1cn(C)nc1C1CCCCC1)C(C)C ZINC000809685794 626767721 /nfs/dbraw/zinc/76/77/21/626767721.db2.gz RMZLDECSRGBMRY-MRXNPFEDSA-N 0 3 273.424 3.215 20 30 CGEDHN C=C(CC)CN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000839642262 626774436 /nfs/dbraw/zinc/77/44/36/626774436.db2.gz QMHDHFXVRXZVJH-CQSZACIVSA-N 0 3 298.224 3.381 20 30 CGEDHN C#CC[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000757610586 626793338 /nfs/dbraw/zinc/79/33/38/626793338.db2.gz DBRWDMWHMDHGEM-WMZOPIPTSA-N 0 3 298.430 3.132 20 30 CGEDHN C#CCCN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000760833505 626994860 /nfs/dbraw/zinc/99/48/60/626994860.db2.gz IBAYWMSDCXQCRR-UHFFFAOYSA-N 0 3 286.202 3.201 20 30 CGEDHN CC(=NNCc1cnc2ccccc2c1)c1ccc(N)cc1 ZINC000764775260 627222882 /nfs/dbraw/zinc/22/28/82/627222882.db2.gz JEZWVYLIAPIJGM-UHFFFAOYSA-N 0 3 290.370 3.331 20 30 CGEDHN C#CCOc1ccc(CN2CCS[C@H](CC)C2)cc1 ZINC000769447719 627553870 /nfs/dbraw/zinc/55/38/70/627553870.db2.gz WJYMVOAMEQJKOU-MRXNPFEDSA-N 0 3 275.417 3.026 20 30 CGEDHN C#C[C@H](C)N(C)CCOc1cc(Cl)ccc1Cl ZINC000769961999 627592978 /nfs/dbraw/zinc/59/29/78/627592978.db2.gz VLPPIJLXPVZBIT-JTQLQIEISA-N 0 3 272.175 3.326 20 30 CGEDHN C#C[C@H](C)N(C)CCOc1cccc2ccccc21 ZINC000769975277 627593706 /nfs/dbraw/zinc/59/37/06/627593706.db2.gz BZXQVHIGPDYLRU-AWEZNQCLSA-N 0 3 253.345 3.172 20 30 CGEDHN C[C@H](CC#N)NN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000771882835 627740234 /nfs/dbraw/zinc/74/02/34/627740234.db2.gz BERWAPATLSXQIA-LKSLVAKUSA-N 0 3 282.391 3.175 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/CC1CC[NH+](C2CC2)CC1 ZINC000772155101 627768307 /nfs/dbraw/zinc/76/83/07/627768307.db2.gz MYVPBTWNDHWKPI-WOJGMQOQSA-N 0 3 292.810 3.339 20 30 CGEDHN C#CC[C@H](N[C@@H](C)c1ccncc1)c1ccccc1 ZINC000773117752 627858112 /nfs/dbraw/zinc/85/81/12/627858112.db2.gz WALIFVHBLZNROY-YOEHRIQHSA-N 0 3 250.345 3.497 20 30 CGEDHN C=CCN(C)Cc1cc(C)cc(Br)c1 ZINC000775083476 628063420 /nfs/dbraw/zinc/06/34/20/628063420.db2.gz IRPSWJXUFCYMBY-UHFFFAOYSA-N 0 3 254.171 3.375 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000775185243 628069059 /nfs/dbraw/zinc/06/90/59/628069059.db2.gz ZQIYTOXLBRQEGW-CYBMUJFWSA-N 0 3 262.372 3.125 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000775554890 628106489 /nfs/dbraw/zinc/10/64/89/628106489.db2.gz ZCOJZTGPYAXQRV-ZWNOBZJWSA-N 0 3 289.297 3.173 20 30 CGEDHN C#CCOc1ccc(CN2CCOCC3(CCCC3)C2)cc1 ZINC000776007814 628157201 /nfs/dbraw/zinc/15/72/01/628157201.db2.gz JZFOXOMJKLNVGQ-UHFFFAOYSA-N 0 3 299.414 3.091 20 30 CGEDHN CCCCCCCN(CC)C[C@@H](O)C(F)(F)F ZINC000778201539 628333657 /nfs/dbraw/zinc/33/36/57/628333657.db2.gz LBHHOLVXSLXOGR-LLVKDONJSA-N 0 3 255.324 3.202 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@H]2CCOC2)c([O-])c1 ZINC000783683922 628739584 /nfs/dbraw/zinc/73/95/84/628739584.db2.gz CFKSOVRYJKDAKD-QCUKBLKESA-N 0 3 290.407 3.084 20 30 CGEDHN C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1[O-] ZINC000784263902 628799665 /nfs/dbraw/zinc/79/96/65/628799665.db2.gz SNRWYXKMSYSYCN-CYBMUJFWSA-N 0 3 266.344 3.309 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000788000041 629038987 /nfs/dbraw/zinc/03/89/87/629038987.db2.gz QDKDWUHKKGPDFI-UHFFFAOYSA-N 0 3 283.371 3.253 20 30 CGEDHN COC1(CNCc2cc(C#N)ccc2F)CCCCC1 ZINC000790974397 629244955 /nfs/dbraw/zinc/24/49/55/629244955.db2.gz VKJQIHDXLLVZSF-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN N#CC(C(=O)CC1CC1)c1nccc2ccccc21 ZINC000792093113 629336028 /nfs/dbraw/zinc/33/60/28/629336028.db2.gz UZLYPSVJDRIILD-AWEZNQCLSA-N 0 3 250.301 3.211 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H](C)c2ccc(C)cc2)n1 ZINC000862351443 629347332 /nfs/dbraw/zinc/34/73/32/629347332.db2.gz LAOAKBOSKRMCLA-KRWDZBQOSA-N 0 3 295.430 3.450 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(Cl)ccc2OC)C1 ZINC000862443609 629377119 /nfs/dbraw/zinc/37/71/19/629377119.db2.gz QYLGRIXWSWJJNF-LBPRGKRZSA-N 0 3 263.768 3.194 20 30 CGEDHN C#Cc1ccc(CN2CC(Cc3cccs3)C2)cc1 ZINC000862538986 629394961 /nfs/dbraw/zinc/39/49/61/629394961.db2.gz GZWAOOABNNGJRB-UHFFFAOYSA-N 0 3 267.397 3.404 20 30 CGEDHN CC[C@@H](C)CON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000793158603 629418067 /nfs/dbraw/zinc/41/80/67/629418067.db2.gz JAKSISQBDMHBDQ-HUUCEWRRSA-N 0 3 290.407 3.308 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@@H](C(N)=O)c1ccccc1 ZINC000793522303 629473971 /nfs/dbraw/zinc/47/39/71/629473971.db2.gz FPDBRMNCGKGYFZ-GDBMZVCRSA-N 0 3 274.408 3.328 20 30 CGEDHN C#CCn1ccc(CN(CC)CC(C(C)C)C(C)C)n1 ZINC000793588377 629487201 /nfs/dbraw/zinc/48/72/01/629487201.db2.gz JCMDCRDEBSNDDK-UHFFFAOYSA-N 0 3 275.440 3.266 20 30 CGEDHN C=CC[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccncc1 ZINC000794800610 629578242 /nfs/dbraw/zinc/57/82/42/629578242.db2.gz FDHRGGXTZLRYKJ-CVEARBPZSA-N 0 3 282.391 3.100 20 30 CGEDHN C[C@H](N[C@H]1CCCc2n[nH]cc21)c1cccc(C#N)c1 ZINC000796780632 629832821 /nfs/dbraw/zinc/83/28/21/629832821.db2.gz KNOBXKGLHGGFGG-NHYWBVRUSA-N 0 3 266.348 3.010 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cnn(-c2ccccc2)c1 ZINC000797586754 629963964 /nfs/dbraw/zinc/96/39/64/629963964.db2.gz MAOWZEPGRMFKEY-CQSZACIVSA-N 0 3 280.375 3.217 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H](C)CC(C)C)n1 ZINC000799168786 630152158 /nfs/dbraw/zinc/15/21/58/630152158.db2.gz WYGQRWQEXZVSKW-HNNXBMFYSA-N 0 3 261.413 3.020 20 30 CGEDHN CCOc1ccc([C@@H]2CCCN2CCO[C@@H](C)C#N)cc1 ZINC000801909949 630364140 /nfs/dbraw/zinc/36/41/40/630364140.db2.gz ISVMRBGNQFONAC-YOEHRIQHSA-N 0 3 288.391 3.151 20 30 CGEDHN C[C@H](C#N)OCCN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000801924496 630367428 /nfs/dbraw/zinc/36/74/28/630367428.db2.gz PUXIAZHTXUYSIL-WOSRLPQWSA-N 0 3 276.355 3.137 20 30 CGEDHN CCN(C[C@H](O)CC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000809572000 630751629 /nfs/dbraw/zinc/75/16/29/630751629.db2.gz GKXBNNHDSAWEPM-GXTWGEPZSA-N 0 3 272.348 3.090 20 30 CGEDHN N#CC[C@@H](O)CN1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000809577009 630753142 /nfs/dbraw/zinc/75/31/42/630753142.db2.gz IZAOCXQDLYGOFQ-NDZBKKTDSA-N 0 3 284.403 3.219 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000809607114 630759988 /nfs/dbraw/zinc/75/99/88/630759988.db2.gz PKKAHCBKLZPBAZ-ZDUSSCGKSA-N 0 3 280.327 3.427 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000809645166 630772933 /nfs/dbraw/zinc/77/29/33/630772933.db2.gz RMYGROKWVLEAIT-GOSISDBHSA-N 0 3 269.388 3.059 20 30 CGEDHN C#C[C@H](C)NCc1ccc(OC)c(OCCCCC)c1 ZINC000809683443 630778545 /nfs/dbraw/zinc/77/85/45/630778545.db2.gz DKNCPWKRPOJESK-AWEZNQCLSA-N 0 3 275.392 3.376 20 30 CGEDHN C#C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000809683466 630779492 /nfs/dbraw/zinc/77/94/92/630779492.db2.gz CGLOEZUHPKBOAQ-NSHDSACASA-N 0 3 286.356 3.435 20 30 CGEDHN C#C[C@H](C)NCc1ccc(OC)c(OCCC(C)C)c1 ZINC000809683395 630779795 /nfs/dbraw/zinc/77/97/95/630779795.db2.gz BTIYFXKMHOXDGF-AWEZNQCLSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@H](C)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000809684053 630779936 /nfs/dbraw/zinc/77/99/36/630779936.db2.gz ZGQZWVUEPOWMAQ-VIFPVBQESA-N 0 3 282.170 3.381 20 30 CGEDHN C#C[C@H](CC)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809685790 630781914 /nfs/dbraw/zinc/78/19/14/630781914.db2.gz RDDQLSJWPDLLKN-QGZVFWFLSA-N 0 3 295.382 3.473 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@H](c3ccccc3)C2)n1 ZINC000810152587 630847809 /nfs/dbraw/zinc/84/78/09/630847809.db2.gz WCQRUXZKIMIXHA-UONOGXRCSA-N 0 3 283.400 3.441 20 30 CGEDHN C=CCN(C)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811491369 631074603 /nfs/dbraw/zinc/07/46/03/631074603.db2.gz IYXBKVKCSFCWDT-ZDUSSCGKSA-N 0 3 270.417 3.044 20 30 CGEDHN COc1cccc(O)c1/C=N/C[C@H](c1ccccc1)N(C)C ZINC000812392388 631243401 /nfs/dbraw/zinc/24/34/01/631243401.db2.gz LKHUUTNWUPYVLQ-PUMYGXPMSA-N 0 3 298.386 3.123 20 30 CGEDHN C#C[C@H](NC1Cc2ccccc2C1)c1ccc(F)cc1 ZINC000812793148 631312415 /nfs/dbraw/zinc/31/24/15/631312415.db2.gz NFKSEFKDLVPOPC-SFHVURJKSA-N 0 3 265.331 3.257 20 30 CGEDHN Fc1ccc(CCN2CCC(=NOCC3CC3)CC2)cc1 ZINC000814243629 631557646 /nfs/dbraw/zinc/55/76/46/631557646.db2.gz HCVLOZXGMYQDAC-UHFFFAOYSA-N 0 3 290.382 3.247 20 30 CGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(F)c(F)c1F ZINC000814945866 631696030 /nfs/dbraw/zinc/69/60/30/631696030.db2.gz UNKIUNZXSPUQTG-UHFFFAOYSA-N 0 3 294.280 3.011 20 30 CGEDHN Cc1sccc1CNCc1ccc(OCC#N)cc1 ZINC000815124224 631722903 /nfs/dbraw/zinc/72/29/03/631722903.db2.gz YPWAORWRTNIHRF-UHFFFAOYSA-N 0 3 272.373 3.249 20 30 CGEDHN C=C(CC)CNCc1cc(C(OC)OC)ccc1F ZINC000818215873 632299140 /nfs/dbraw/zinc/29/91/40/632299140.db2.gz PXYIZXFTDFOTED-UHFFFAOYSA-N 0 3 267.344 3.173 20 30 CGEDHN CCC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccn1 ZINC000819018860 632366345 /nfs/dbraw/zinc/36/63/45/632366345.db2.gz YWWKNJBLNJUVGK-WMZOPIPTSA-N 0 3 295.386 3.118 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866368062 633106450 /nfs/dbraw/zinc/10/64/50/633106450.db2.gz VKJCLYUUHJPTCD-WCQGTBRESA-N 0 3 292.766 3.475 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC000868025639 633290469 /nfs/dbraw/zinc/29/04/69/633290469.db2.gz TXBZONYZTJDQNZ-AWEZNQCLSA-N 0 3 289.354 3.053 20 30 CGEDHN C#CC1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000830329823 633850843 /nfs/dbraw/zinc/85/08/43/633850843.db2.gz IJRCBIAJRWXYNK-UHFFFAOYSA-N 0 3 295.382 3.255 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)N(C)c1ccc(C)cc1 ZINC000871890259 633916045 /nfs/dbraw/zinc/91/60/45/633916045.db2.gz UHWHGLFDDSOAOQ-UXLLHSPISA-N 0 3 299.418 3.018 20 30 CGEDHN C[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(C#N)cc1F ZINC000872109658 634034246 /nfs/dbraw/zinc/03/42/46/634034246.db2.gz PMNAWWLKMANYNW-XZBIERFOSA-N 0 3 288.366 3.306 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000834888466 634268770 /nfs/dbraw/zinc/26/87/70/634268770.db2.gz NERBEOVTVZPLML-XWIAVFTESA-N 0 3 297.402 3.175 20 30 CGEDHN Cc1cc(CNC2(C)CC(F)(F)C2)ccc1C#N ZINC000873197708 634282467 /nfs/dbraw/zinc/28/24/67/634282467.db2.gz OWNVFBLWRDRJTJ-UHFFFAOYSA-N 0 3 250.292 3.144 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2ncc(C(F)(F)F)s2)CC1 ZINC000873198458 634283477 /nfs/dbraw/zinc/28/34/77/634283477.db2.gz LBZPLJNURXSGHX-MGCOHNPYSA-N 0 3 288.338 3.444 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000873330884 634330159 /nfs/dbraw/zinc/33/01/59/634330159.db2.gz HUALLKBCSJZHOR-UHFFFAOYSA-N 0 3 287.407 3.404 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000876590876 634863515 /nfs/dbraw/zinc/86/35/15/634863515.db2.gz FVRDDXOABNKBIY-LSDHHAIUSA-N 0 3 292.810 3.128 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)Cc1ccc(F)cc1 ZINC000876596579 634864310 /nfs/dbraw/zinc/86/43/10/634864310.db2.gz BEINBUWVXQLTAC-CQSZACIVSA-N 0 3 298.789 3.034 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CCC1)c1ccccc1 ZINC000876688844 634880750 /nfs/dbraw/zinc/88/07/50/634880750.db2.gz WSFRSUBBIXSZSC-OAHLLOKOSA-N 0 3 292.810 3.290 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000876983891 634943025 /nfs/dbraw/zinc/94/30/25/634943025.db2.gz ZPCSIUAEFFURGO-CMPLNLGQSA-N 0 3 298.839 3.128 20 30 CGEDHN CCCCCCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000876988570 634944679 /nfs/dbraw/zinc/94/46/79/634944679.db2.gz GVZAAJKRENMYTK-MRXNPFEDSA-N 0 3 274.408 3.308 20 30 CGEDHN C#CCCCCCCN[C@H](COC)c1ccc(C)o1 ZINC000877080708 634977026 /nfs/dbraw/zinc/97/70/26/634977026.db2.gz NEDAJLTVAREKCG-OAHLLOKOSA-N 0 3 263.381 3.449 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCC)c(C)c1 ZINC000877085188 634979341 /nfs/dbraw/zinc/97/93/41/634979341.db2.gz REFZSCVJEPVWQY-ZDUSSCGKSA-N 0 3 296.798 3.192 20 30 CGEDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(CC#N)CC1 ZINC000877191181 635010684 /nfs/dbraw/zinc/01/06/84/635010684.db2.gz JXSPNENXWNDXPR-UHFFFAOYSA-N 0 3 287.363 3.337 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cnc3c(F)cccc3c2)C1 ZINC000877617166 635114530 /nfs/dbraw/zinc/11/45/30/635114530.db2.gz MENKQUCNVUUXGQ-CYBMUJFWSA-N 0 3 268.335 3.219 20 30 CGEDHN C#CCCCCCCN1CCc2nc(C3CC3)ncc2C1 ZINC000877655678 635133944 /nfs/dbraw/zinc/13/39/44/635133944.db2.gz HFJGBXKDUXHGIJ-UHFFFAOYSA-N 0 3 283.419 3.296 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C)(F)CC2)cc1 ZINC000877700981 635151882 /nfs/dbraw/zinc/15/18/82/635151882.db2.gz XTOFZEAYCYHZGI-ZDUSSCGKSA-N 0 3 276.355 3.301 20 30 CGEDHN N#CC1(OC(=O)c2cccc(CN3CCCCC3)c2)CCC1 ZINC000842317406 635324635 /nfs/dbraw/zinc/32/46/35/635324635.db2.gz AEIOLQDQSMGSRM-UHFFFAOYSA-N 0 3 298.386 3.276 20 30 CGEDHN C#CC[C@@H]1CCC[N@@H+](Cc2cc(CC=C)cc(OC)c2[O-])C1 ZINC000842628302 635421329 /nfs/dbraw/zinc/42/13/29/635421329.db2.gz WDMCSWSAZKISBB-OAHLLOKOSA-N 0 3 299.414 3.365 20 30 CGEDHN C#CC[C@@H]1CCC[N@H+](Cc2cc(CC=C)cc(OC)c2[O-])C1 ZINC000842628302 635421333 /nfs/dbraw/zinc/42/13/33/635421333.db2.gz WDMCSWSAZKISBB-OAHLLOKOSA-N 0 3 299.414 3.365 20 30 CGEDHN C#CC[C@H]1CCCN(Cn2ccc(-c3ccsc3)n2)C1 ZINC000842629391 635421397 /nfs/dbraw/zinc/42/13/97/635421397.db2.gz MBXBPCPIMSDNBG-AWEZNQCLSA-N 0 3 285.416 3.304 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC3(CCC3)C2)c1 ZINC000842687591 635441461 /nfs/dbraw/zinc/44/14/61/635441461.db2.gz ZNVATWHEALDVEI-OAHLLOKOSA-N 0 3 296.370 3.223 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(C[C@@H](C)CC(C)(C)C)CC1 ZINC000878310628 635454504 /nfs/dbraw/zinc/45/45/04/635454504.db2.gz MYFKWKHOHQPNCO-JKSUJKDBSA-N 0 3 279.472 3.224 20 30 CGEDHN C=C(Br)CNC[C@@H](C)c1ccccc1 ZINC000127071803 635474430 /nfs/dbraw/zinc/47/44/30/635474430.db2.gz GJIIGNJNKAYRKK-SNVBAGLBSA-N 0 3 254.171 3.288 20 30 CGEDHN N#CCc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000842888212 635504763 /nfs/dbraw/zinc/50/47/63/635504763.db2.gz QBQNJOJAHAMOLU-MRXNPFEDSA-N 0 3 278.355 3.235 20 30 CGEDHN C#CC[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000843424309 635668997 /nfs/dbraw/zinc/66/89/97/635668997.db2.gz RDDFDXFQNKNEPQ-AWEZNQCLSA-N 0 3 273.376 3.026 20 30 CGEDHN C#CC[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000843424309 635669000 /nfs/dbraw/zinc/66/90/00/635669000.db2.gz RDDFDXFQNKNEPQ-AWEZNQCLSA-N 0 3 273.376 3.026 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000879314035 635753860 /nfs/dbraw/zinc/75/38/60/635753860.db2.gz PQZRQMGDBMXWMB-WBVHZDCISA-N 0 3 286.419 3.150 20 30 CGEDHN C[C@H](c1ccccc1)N1CCN(CCCCC#N)CC1 ZINC000880247622 635955803 /nfs/dbraw/zinc/95/58/03/635955803.db2.gz JQGRZGCVURKNAP-MRXNPFEDSA-N 0 3 271.408 3.059 20 30 CGEDHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128724051 636067901 /nfs/dbraw/zinc/06/79/01/636067901.db2.gz DMJVWYYBRVFBHI-CQSZACIVSA-N 0 3 296.326 3.112 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cn(-c3ccccc3)nn2)C1 ZINC000845951269 636123109 /nfs/dbraw/zinc/12/31/09/636123109.db2.gz HWAZWDFXKAOBLV-GJZGRUSLSA-N 0 3 282.391 3.102 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000846756245 636230322 /nfs/dbraw/zinc/23/03/22/636230322.db2.gz IQMRQEZNYHEVGD-QIWHAVBOSA-N 0 3 292.810 3.481 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846756245 636230329 /nfs/dbraw/zinc/23/03/29/636230329.db2.gz IQMRQEZNYHEVGD-QIWHAVBOSA-N 0 3 292.810 3.481 20 30 CGEDHN C=CCC[C@@H](NCc1oc(CC)nc1C)[C@H]1CCCO1 ZINC000883223942 636596623 /nfs/dbraw/zinc/59/66/23/636596623.db2.gz AWZRBSISXFZTKJ-ZIAGYGMSSA-N 0 3 278.396 3.149 20 30 CGEDHN C=CCC[C@@H](NCc1c(C)onc1CC)[C@H]1CCCO1 ZINC000883224051 636596677 /nfs/dbraw/zinc/59/66/77/636596677.db2.gz DLWINBWGKSPOLD-HZPDHXFCSA-N 0 3 278.396 3.149 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000883235347 636604812 /nfs/dbraw/zinc/60/48/12/636604812.db2.gz ZXKSHZKXRHBVDD-USXIJHARSA-N 0 3 296.418 3.451 20 30 CGEDHN COc1ccc(C2CC2)cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000883266058 636637817 /nfs/dbraw/zinc/63/78/17/636637817.db2.gz QWCIZMKUKFXETQ-MLGOLLRUSA-N 0 3 270.376 3.354 20 30 CGEDHN C#C[C@@H]1CCCN(C/C=C\c2ccccc2OC)C1 ZINC000848924114 636695323 /nfs/dbraw/zinc/69/53/23/636695323.db2.gz NXJXGJVJVGGUPU-YYRKOSNBSA-N 0 3 255.361 3.054 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000848924490 636697441 /nfs/dbraw/zinc/69/74/41/636697441.db2.gz UASGJHXQHXBKHB-CYBMUJFWSA-N 0 3 283.400 3.050 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(F)cc1Cl ZINC000883388885 636731393 /nfs/dbraw/zinc/73/13/93/636731393.db2.gz FPOMIPYNMCXWGO-ZYHUDNBSSA-N 0 3 271.763 3.457 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000883392326 636737426 /nfs/dbraw/zinc/73/74/26/636737426.db2.gz FNYGZJIEXNVMDH-WCQYABFASA-N 0 3 283.774 3.383 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000883400935 636741254 /nfs/dbraw/zinc/74/12/54/636741254.db2.gz YKOAXTQYWVWQMR-CYBMUJFWSA-N 0 3 280.437 3.217 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC1(C)C ZINC000850739159 637136457 /nfs/dbraw/zinc/13/64/57/637136457.db2.gz SWTCXTXLMHORIX-VXGBXAGGSA-N 0 3 281.359 3.186 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1nc2ccccc2[nH]1 ZINC000850739687 637136614 /nfs/dbraw/zinc/13/66/14/637136614.db2.gz XKSXRTYDZRAFJQ-FVCCEPFGSA-N 0 3 279.343 3.175 20 30 CGEDHN N#CC(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1ccccn1 ZINC000850757299 637146357 /nfs/dbraw/zinc/14/63/57/637146357.db2.gz YBNWXIOCHPRBBP-CQDKDKBSSA-N 0 3 290.313 3.473 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1ccccn1 ZINC000850755729 637146396 /nfs/dbraw/zinc/14/63/96/637146396.db2.gz HVJGYQPUQGKYPO-VHSXEESVSA-N 0 3 283.158 3.232 20 30 CGEDHN N#CC(C(=O)CCCF)c1nc2ccccc2n1C(F)F ZINC000850769122 637147822 /nfs/dbraw/zinc/14/78/22/637147822.db2.gz IAUGSXUZBVKMCZ-SECBINFHSA-N 0 3 295.264 3.357 20 30 CGEDHN C=C(Br)CN[C@H](C)CCc1ccc(O)cc1 ZINC000136131065 637290528 /nfs/dbraw/zinc/29/05/28/637290528.db2.gz MINBKDHHFWIDJQ-LLVKDONJSA-N 0 3 284.197 3.212 20 30 CGEDHN C[C@H](CC(C)(C)C#N)OC(=O)c1cccc(CN(C)C)c1 ZINC000851204165 637301364 /nfs/dbraw/zinc/30/13/64/637301364.db2.gz LBHVQQUDKDSRIY-CYBMUJFWSA-N 0 3 288.391 3.233 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885933512 637319423 /nfs/dbraw/zinc/31/94/23/637319423.db2.gz WMLVUCSFYJKECF-AWEZNQCLSA-N 0 3 290.432 3.181 20 30 CGEDHN C#CCN(Cc1cnc2ccccc2n1)C1CCCCC1 ZINC000851737477 637485675 /nfs/dbraw/zinc/48/56/75/637485675.db2.gz FHMPQPLEBMWEOB-UHFFFAOYSA-N 0 3 279.387 3.398 20 30 CGEDHN C#CCOCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000851841641 637519291 /nfs/dbraw/zinc/51/92/91/637519291.db2.gz WCDXFOAJEHFZKF-GOSISDBHSA-N 0 3 282.387 3.345 20 30 CGEDHN C#C[C@](C)(CC)NCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000852100988 637595690 /nfs/dbraw/zinc/59/56/90/637595690.db2.gz MCECOAALDHPTFS-GOSISDBHSA-N 0 3 283.371 3.301 20 30 CGEDHN C=CCOc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886608932 637603428 /nfs/dbraw/zinc/60/34/28/637603428.db2.gz IIOBYOLUYNDXRN-SFHVURJKSA-N 0 3 299.418 3.472 20 30 CGEDHN C#CCCN(CCOC)Cc1cccc(C(F)F)c1 ZINC000852748943 637705997 /nfs/dbraw/zinc/70/59/97/637705997.db2.gz MGKDJUPZFONCBQ-UHFFFAOYSA-N 0 3 267.319 3.096 20 30 CGEDHN CCCCCCCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000853901630 637951626 /nfs/dbraw/zinc/95/16/26/637951626.db2.gz GGYGZXOKRQWWFR-OAHLLOKOSA-N 0 3 283.460 3.083 20 30 CGEDHN CCCCCCCCCN1CCN(CC(C)(C)O)CC1 ZINC000112727347 638113537 /nfs/dbraw/zinc/11/35/37/638113537.db2.gz BOSKBZFPKISGDZ-UHFFFAOYSA-N 0 3 284.488 3.126 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000113336414 638200519 /nfs/dbraw/zinc/20/05/19/638200519.db2.gz ZKPIIHZSJALFAN-AWEZNQCLSA-N 0 3 281.355 3.255 20 30 CGEDHN Cc1ccc(N2CC[C@@H](N[C@@H](C)CC(C)(C)C#N)C2=O)cc1 ZINC000925469626 638506034 /nfs/dbraw/zinc/50/60/34/638506034.db2.gz YOXKEBUTBCXRRL-GOEBONIOSA-N 0 3 299.418 3.018 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H](C)n2ncnc21 ZINC000926674861 638797418 /nfs/dbraw/zinc/79/74/18/638797418.db2.gz FOHPSFWMOWHNAO-MQYQWHSLSA-N 0 3 260.385 3.008 20 30 CGEDHN C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cc([O-])cc(F)c1 ZINC000926810274 638814732 /nfs/dbraw/zinc/81/47/32/638814732.db2.gz BZNQUUGRSVWTKO-APPDUMDISA-N 0 3 296.345 3.221 20 30 CGEDHN CC(C)CCN(CCC#N)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000929778300 638949663 /nfs/dbraw/zinc/94/96/63/638949663.db2.gz GDALGOQOSJDUCB-ZSHCYNCHSA-N 0 3 266.429 3.452 20 30 CGEDHN N#CC1CCC(CN2CCc3nc(C4CC4)ncc3C2)CC1 ZINC000931257031 639127852 /nfs/dbraw/zinc/12/78/52/639127852.db2.gz BEHAMJMFOLBQLR-UHFFFAOYSA-N 0 3 296.418 3.042 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ncco2)CC1 ZINC000931445809 639149847 /nfs/dbraw/zinc/14/98/47/639149847.db2.gz DUMPZXSTPQPJDJ-ZDUSSCGKSA-N 0 3 281.359 3.487 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1F ZINC000931926121 639234553 /nfs/dbraw/zinc/23/45/53/639234553.db2.gz MTNBTDAUDAJBJK-PKOBYXMFSA-N 0 3 292.357 3.471 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccn(C)n2)CC1 ZINC000932142171 639273498 /nfs/dbraw/zinc/27/34/98/639273498.db2.gz MUTGOPKFUHLDHZ-AWEZNQCLSA-N 0 3 294.402 3.232 20 30 CGEDHN N#Cc1ccc(OCCN[C@H](c2ccccn2)C2CC2)cc1 ZINC000932377384 639322172 /nfs/dbraw/zinc/32/21/72/639322172.db2.gz BLFFQJJVJRQHKD-SFHVURJKSA-N 0 3 293.370 3.073 20 30 CGEDHN C=CCOCCN[C@H](CC)c1cc(F)ccc1OC ZINC000932469328 639338749 /nfs/dbraw/zinc/33/87/49/639338749.db2.gz OTEZMLNISYIHOM-CQSZACIVSA-N 0 3 267.344 3.078 20 30 CGEDHN CCn1cc(CN2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC000933606606 639468399 /nfs/dbraw/zinc/46/83/99/639468399.db2.gz KYYPFFRRBLELRL-UHFFFAOYSA-N 0 3 294.402 3.154 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3ccncc3)CC2)cc1 ZINC000933611875 639469332 /nfs/dbraw/zinc/46/93/32/639469332.db2.gz CHHVOPAULWGCSP-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN C[C@H](C#N)OCCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933820420 639494869 /nfs/dbraw/zinc/49/48/69/639494869.db2.gz VJZFTGLBDFLZPL-CQSZACIVSA-N 0 3 295.386 3.186 20 30 CGEDHN CCCCC1(NCC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000934209395 639560090 /nfs/dbraw/zinc/56/00/90/639560090.db2.gz NCYQRVDDINHEFE-UHFFFAOYSA-N 0 3 289.379 3.019 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000935116724 639752344 /nfs/dbraw/zinc/75/23/44/639752344.db2.gz AOBIJAQEMBEUOQ-QGPMSJSTSA-N 0 3 286.419 3.150 20 30 CGEDHN N#CC(C(=O)CCn1ccc2ccccc21)c1ccccn1 ZINC000041492408 639903847 /nfs/dbraw/zinc/90/38/47/639903847.db2.gz VJTVLXPGRDWHTI-OAHLLOKOSA-N 0 3 289.338 3.303 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCSC(C)(C)C2)cc1 ZINC000093504388 640774013 /nfs/dbraw/zinc/77/40/13/640774013.db2.gz PNXCIZPBSLOKTC-CYBMUJFWSA-N 0 3 290.432 3.305 20 30 CGEDHN CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccc([O-])c(F)c1 ZINC000304758256 640868606 /nfs/dbraw/zinc/86/86/06/640868606.db2.gz PTPBNPUPKLIBDA-LBPRGKRZSA-N 0 3 295.402 3.150 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001007197091 640904571 /nfs/dbraw/zinc/90/45/71/640904571.db2.gz WATORPOSXGOGQL-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001015380208 640979876 /nfs/dbraw/zinc/97/98/76/640979876.db2.gz ZAHZFWFSOUUNEQ-MRXNPFEDSA-N 0 3 298.430 3.253 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC001016181025 640994624 /nfs/dbraw/zinc/99/46/24/640994624.db2.gz OKTGROCHBXXBTK-CYBMUJFWSA-N 0 3 290.432 3.006 20 30 CGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001016329386 640995299 /nfs/dbraw/zinc/99/52/99/640995299.db2.gz YWRBZEYGTYABEX-CQSZACIVSA-N 0 3 292.448 3.081 20 30 CGEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016344443 640995407 /nfs/dbraw/zinc/99/54/07/640995407.db2.gz CRALAQBBMHJMRQ-CRAIPNDOSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001016361527 640997198 /nfs/dbraw/zinc/99/71/98/640997198.db2.gz FNVLUIHOALQTLT-ZDUSSCGKSA-N 0 3 292.448 3.252 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC1(C)C ZINC001017821981 641017294 /nfs/dbraw/zinc/01/72/94/641017294.db2.gz ONFWSQFAKCINKV-XHSDSOJGSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)C)CC1 ZINC001017922910 641018548 /nfs/dbraw/zinc/01/85/48/641018548.db2.gz RXJYEKWLFHLSDR-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C2CC2)cc1 ZINC001157063020 805772137 /nfs/dbraw/zinc/77/21/37/805772137.db2.gz LAMVFYSGPOWPDX-OAHLLOKOSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C[C@](C)(O)CNCc1ccc(Cl)cc1Cl ZINC001252570985 806072714 /nfs/dbraw/zinc/07/27/14/806072714.db2.gz CVYMRNIIEOSXKD-LBPRGKRZSA-N 0 3 260.164 3.020 20 30 CGEDHN C=C[C@](C)(O)CNC1(c2ccccc2Cl)CCC1 ZINC001252578187 806074331 /nfs/dbraw/zinc/07/43/31/806074331.db2.gz CCNCQPZWHSQLSS-AWEZNQCLSA-N 0 3 265.784 3.246 20 30 CGEDHN CN(Cc1ccc(NCC#Cc2ccccc2)nc1)C1CC1 ZINC001159376253 806091166 /nfs/dbraw/zinc/09/11/66/806091166.db2.gz XHRXISIIIVJROG-UHFFFAOYSA-N 0 3 291.398 3.139 20 30 CGEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccccc1Cl ZINC001252620639 806092439 /nfs/dbraw/zinc/09/24/39/806092439.db2.gz NETKNOHZGCWNAG-GFCCVEGCSA-N 0 3 267.800 3.492 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCC(=O)CC ZINC001252985311 806146664 /nfs/dbraw/zinc/14/66/64/806146664.db2.gz DNAOGVIMXFLAQZ-MRXNPFEDSA-N 0 3 271.445 3.447 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ccc(C)cn1 ZINC001253247369 806193652 /nfs/dbraw/zinc/19/36/52/806193652.db2.gz IOFZAEHNYBCKSG-KRWDZBQOSA-N 0 3 276.424 3.367 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cc(CCC)n[nH]1 ZINC001253254512 806197735 /nfs/dbraw/zinc/19/77/35/806197735.db2.gz BTCWURRYTOHWEK-KRWDZBQOSA-N 0 3 293.455 3.339 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ccc(C#N)o1 ZINC001253256344 806198086 /nfs/dbraw/zinc/19/80/86/806198086.db2.gz VRPIRNRNAAXKPA-AWEZNQCLSA-N 0 3 276.380 3.128 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001160927141 806322386 /nfs/dbraw/zinc/32/23/86/806322386.db2.gz AQJSXNIMWJORGL-MRXNPFEDSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cc(-c2ccccc2)ncn1 ZINC001160953502 806328289 /nfs/dbraw/zinc/32/82/89/806328289.db2.gz CJUYHJICVBMVGX-INIZCTEOSA-N 0 3 294.402 3.206 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC2CC(C)(C)C2)CC1 ZINC001160997740 806334071 /nfs/dbraw/zinc/33/40/71/806334071.db2.gz SZAOGGXKODUENR-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C(CN1CCCCC1)c1nnc(-c2cccc(F)c2)o1 ZINC001254180390 806360478 /nfs/dbraw/zinc/36/04/78/806360478.db2.gz PLWAHEWJWPARTJ-UHFFFAOYSA-N 0 3 287.338 3.375 20 30 CGEDHN N#CCC1CN(C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353000 806382412 /nfs/dbraw/zinc/38/24/12/806382412.db2.gz MJIGRLYFPOGJOJ-UHFFFAOYSA-N 0 3 297.377 3.375 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001161674238 806414092 /nfs/dbraw/zinc/41/40/92/806414092.db2.gz HZLZGZJUJMTJNE-HNNXBMFYSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H](CC)C(C)C)CC1 ZINC001161729252 806439120 /nfs/dbraw/zinc/43/91/20/806439120.db2.gz QABSUKHWCODELU-KRWDZBQOSA-N 0 3 292.467 3.383 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)c2ccccc2)CC1 ZINC001161742986 806442377 /nfs/dbraw/zinc/44/23/77/806442377.db2.gz ATMFSOAADZDBNG-MRXNPFEDSA-N 0 3 298.430 3.115 20 30 CGEDHN Cc1cccc2c1[C@H](N[C@@H]1CC[C@@H](C#N)C1)CCO2 ZINC001254636758 806466952 /nfs/dbraw/zinc/46/69/52/806466952.db2.gz ZWPYILWEHLXVGM-MGPQQGTHSA-N 0 3 256.349 3.101 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCO2 ZINC001254645150 806470370 /nfs/dbraw/zinc/47/03/70/806470370.db2.gz AGWHDRFODMYQDA-GZBFAFLISA-N 0 3 256.349 3.101 20 30 CGEDHN CC(=O)C1(c2ccccc2)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254667168 806480058 /nfs/dbraw/zinc/48/00/58/806480058.db2.gz ALIYEBMABXDVMP-SJLPKXTDSA-N 0 3 296.414 3.301 20 30 CGEDHN N#Cc1cccc(O[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC001254667240 806480278 /nfs/dbraw/zinc/48/02/78/806480278.db2.gz AJUXYEPCUNBQFQ-SOLBZPMBSA-N 0 3 295.386 3.094 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC3(CC(=O)c4ccccc43)CC2)C1 ZINC001254676559 806485256 /nfs/dbraw/zinc/48/52/56/806485256.db2.gz MECAAPPLMFUGFW-HUUCEWRRSA-N 0 3 294.398 3.299 20 30 CGEDHN CC[C@H](CC#N)NCC1(Cc2ccccc2OC)CC1 ZINC001255160546 806559684 /nfs/dbraw/zinc/55/96/84/806559684.db2.gz LDXDPPBLQUUSKY-OAHLLOKOSA-N 0 3 272.392 3.300 20 30 CGEDHN C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000037748259 798873499 /nfs/dbraw/zinc/87/34/99/798873499.db2.gz OAGFMYPMHZWOKN-LBPRGKRZSA-N 0 3 252.317 3.115 20 30 CGEDHN Cc1nc(N[C@H]2CNCc3ccsc32)c(C#N)c(C)c1C ZINC001163226291 806728028 /nfs/dbraw/zinc/72/80/28/806728028.db2.gz FIGZAEFWOXSHCV-AWEZNQCLSA-N 0 3 298.415 3.196 20 30 CGEDHN N#Cc1c[nH]c2cc(N[C@H]3CNCc4ccsc43)ccc12 ZINC001163229625 806730448 /nfs/dbraw/zinc/73/04/48/806730448.db2.gz QFUFOYDUGOHIJR-HNNXBMFYSA-N 0 3 294.383 3.357 20 30 CGEDHN N#CCC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000334182857 799257079 /nfs/dbraw/zinc/25/70/79/799257079.db2.gz FINHEHNMLAQYMV-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(OC)c(Cl)c1 ZINC000384174837 799412713 /nfs/dbraw/zinc/41/27/13/799412713.db2.gz NWLHOUQKVJTGLC-AWEZNQCLSA-N 0 3 251.757 3.240 20 30 CGEDHN Cc1ccc(CN[C@@H](C)c2ccncc2)cc1C#N ZINC000701823268 799894519 /nfs/dbraw/zinc/89/45/19/799894519.db2.gz NKENPNJXXYSGLZ-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(Cl)c1)C(C)(C)C ZINC000702265612 799907026 /nfs/dbraw/zinc/90/70/26/799907026.db2.gz ISATWXDRZKZLDI-CQSZACIVSA-N 0 3 265.784 3.486 20 30 CGEDHN C=CCN(CC=C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255913838 806788964 /nfs/dbraw/zinc/78/89/64/806788964.db2.gz FCKPKVPZCDKORE-AWEZNQCLSA-N 0 3 280.412 3.060 20 30 CGEDHN C#C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)C(C)(C)C ZINC000705318112 799948338 /nfs/dbraw/zinc/94/83/38/799948338.db2.gz TWSOQJGXRBTZIP-CQSZACIVSA-N 0 3 293.794 3.249 20 30 CGEDHN CC(C)CN(CCC#N)C[C@H]1CC(C)(C)OC1(C)C ZINC000711278358 800051252 /nfs/dbraw/zinc/05/12/52/800051252.db2.gz IKJSPVUVCOFYGT-CQSZACIVSA-N 0 3 266.429 3.452 20 30 CGEDHN C#Cc1ccc(CN(C)CCOc2ccccc2F)cc1 ZINC000809541432 800443647 /nfs/dbraw/zinc/44/36/47/800443647.db2.gz SZJYTGHBMLLRCC-UHFFFAOYSA-N 0 3 283.346 3.318 20 30 CGEDHN C#CCN(C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C(C)C ZINC000932384040 800663437 /nfs/dbraw/zinc/66/34/37/800663437.db2.gz MQCADGQNRNECLI-HUUCEWRRSA-N 0 3 263.331 3.379 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001023147329 800705276 /nfs/dbraw/zinc/70/52/76/800705276.db2.gz KOEIKMCFRUFHMQ-LLZFXZEUSA-N 0 3 298.858 3.048 20 30 CGEDHN CC(C)CC[C@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001256354715 806862805 /nfs/dbraw/zinc/86/28/05/806862805.db2.gz NQPPTXSBQMPUJU-JTQLQIEISA-N 0 3 253.777 3.265 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027877868 800824719 /nfs/dbraw/zinc/82/47/19/800824719.db2.gz BLCUJNMAJSYVRI-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027963481 800824981 /nfs/dbraw/zinc/82/49/81/800824981.db2.gz LVBAMORWUCMGLE-IRXDYDNUSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001027898613 800825774 /nfs/dbraw/zinc/82/57/74/800825774.db2.gz KCOZZFAFVVYJJG-INIZCTEOSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028180768 800836203 /nfs/dbraw/zinc/83/62/03/800836203.db2.gz FYNKDDXXGJIHRJ-GFCCVEGCSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)CCC2CCC2)CC1 ZINC001163986793 806869926 /nfs/dbraw/zinc/86/99/26/806869926.db2.gz CVDFJYPNQTZWCI-UHFFFAOYSA-N 0 3 298.858 3.195 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001032348535 800928605 /nfs/dbraw/zinc/92/86/05/800928605.db2.gz LWCMCBMCTCAKNQ-IRXDYDNUSA-N 0 3 288.435 3.128 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033694835 800975054 /nfs/dbraw/zinc/97/50/54/800975054.db2.gz UAICZVJCGRFZCL-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737553 800979811 /nfs/dbraw/zinc/97/98/11/800979811.db2.gz PXRSYVSIOSVDAN-KRWDZBQOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034481674 801027871 /nfs/dbraw/zinc/02/78/71/801027871.db2.gz WEBJSLNJICYCDG-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001034531190 801031360 /nfs/dbraw/zinc/03/13/60/801031360.db2.gz JBJRZDPEIJPBFA-QGZVFWFLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034543669 801031934 /nfs/dbraw/zinc/03/19/34/801031934.db2.gz IQEHSOZHPVPOOK-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001038468639 801126849 /nfs/dbraw/zinc/12/68/49/801126849.db2.gz IWVVLWPQNUWKAS-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001038557036 801128511 /nfs/dbraw/zinc/12/85/11/801128511.db2.gz ZAIAEUDLDIKNPU-MRXNPFEDSA-N 0 3 298.430 3.253 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001039077275 801145976 /nfs/dbraw/zinc/14/59/76/801145976.db2.gz QMYCJYKQWUGQJU-CQSZACIVSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC001045485585 801275939 /nfs/dbraw/zinc/27/59/39/801275939.db2.gz GLVKMXZSIOPSNR-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001045449778 801276502 /nfs/dbraw/zinc/27/65/02/801276502.db2.gz OKVUYVXVEOZCSE-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001045649062 801284341 /nfs/dbraw/zinc/28/43/41/801284341.db2.gz FPPJDSGWVDEMQK-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001046818450 801327358 /nfs/dbraw/zinc/32/73/58/801327358.db2.gz SIQCHYMWOMBDMY-GOSISDBHSA-N 0 3 286.419 3.074 20 30 CGEDHN C[C@H]1C[C@@H](NC2=CC(=O)CCC2)CCN1Cc1ccccc1 ZINC001256524010 806909846 /nfs/dbraw/zinc/90/98/46/806909846.db2.gz RUUUQVNLTPLLDU-YJBOKZPZSA-N 0 3 298.430 3.266 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)C1 ZINC001052693710 801449197 /nfs/dbraw/zinc/44/91/97/801449197.db2.gz XZZARXIUEQEUFI-BTKRWWFXSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)C3CCC3)cc2C1 ZINC001054252272 801481446 /nfs/dbraw/zinc/48/14/46/801481446.db2.gz JHLHEZDCAQHZSB-UHFFFAOYSA-N 0 3 298.430 3.385 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(C)c2)CC[C@H]1C ZINC001071317242 801525779 /nfs/dbraw/zinc/52/57/79/801525779.db2.gz QCEBRVPGCXJKFK-WBVHZDCISA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@@H]1C ZINC001071414683 801534128 /nfs/dbraw/zinc/53/41/28/801534128.db2.gz VQKRIPMDHBLPAD-UONOGXRCSA-N 0 3 292.467 3.214 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2cscc2C)CC[C@@H]1C ZINC001071399482 801535338 /nfs/dbraw/zinc/53/53/38/801535338.db2.gz UHNFIDIRKUPYRF-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001079948105 801650060 /nfs/dbraw/zinc/65/00/60/801650060.db2.gz WBBPKVXABIRNLB-IXDOHACOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccsc1C ZINC001085586889 801696123 /nfs/dbraw/zinc/69/61/23/801696123.db2.gz DZHYOIPGRCKHPI-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001086257621 801723696 /nfs/dbraw/zinc/72/36/96/801723696.db2.gz LOVHALNYGNUWGQ-GBLIKLQTSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CCCCC2)C1 ZINC001086633326 801734076 /nfs/dbraw/zinc/73/40/76/801734076.db2.gz OZLOELIVILAXEA-DZGCQCFKSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1CC ZINC001087627012 801760380 /nfs/dbraw/zinc/76/03/80/801760380.db2.gz FTCWVJCWQFPZRA-LSDHHAIUSA-N 0 3 290.407 3.001 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2CC(C)C2)C1 ZINC001088293598 801781020 /nfs/dbraw/zinc/78/10/20/801781020.db2.gz AVIKETPCDARLIJ-ZALBZXLWSA-N 0 3 298.858 3.146 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517026 801799297 /nfs/dbraw/zinc/79/92/97/801799297.db2.gz SXMXYKPEMRDIOU-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1C ZINC001088657005 801804428 /nfs/dbraw/zinc/80/44/28/801804428.db2.gz NTOLGXCAGWILBB-IKGGRYGDSA-N 0 3 290.451 3.278 20 30 CGEDHN COc1cccc2c1CC[C@H](NC1(CC#N)CCCC1)C2 ZINC001256644081 806937484 /nfs/dbraw/zinc/93/74/84/806937484.db2.gz SOCAXVBLXFXBKJ-HNNXBMFYSA-N 0 3 284.403 3.369 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001089683641 801849755 /nfs/dbraw/zinc/84/97/55/801849755.db2.gz BZETZIQVAFVENI-HUUCEWRRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C1CCCCC1)C2 ZINC001095221128 801880540 /nfs/dbraw/zinc/88/05/40/801880540.db2.gz PJEADVHLAQYJPS-IKGGRYGDSA-N 0 3 288.435 3.175 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCCCCC2)C1 ZINC001098754130 801914142 /nfs/dbraw/zinc/91/41/42/801914142.db2.gz PELRRFRVIGCUON-WMZOPIPTSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC(=C)C ZINC001099098680 801928930 /nfs/dbraw/zinc/92/89/30/801928930.db2.gz UUNZXAGRKYQVKT-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@](C)(C=C)CC ZINC001099213335 801933644 /nfs/dbraw/zinc/93/36/44/801933644.db2.gz CEGXEXSZZSUNBK-MAUKXSAKSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](C)CCC)C1 ZINC001100175737 801939722 /nfs/dbraw/zinc/93/97/22/801939722.db2.gz NAJPWSOOYZUIQE-XGNXJENSSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CCC)CCC2)C1 ZINC001100590341 801955005 /nfs/dbraw/zinc/95/50/05/801955005.db2.gz VMAFOQCBCBNUTO-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCC)CCC1)C2 ZINC001110921021 802150593 /nfs/dbraw/zinc/15/05/93/802150593.db2.gz BKLVCGMBIBSXDC-OAGGEKHMSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)/C=C/C2CC2)CCCCC1 ZINC001115464584 802263457 /nfs/dbraw/zinc/26/34/57/802263457.db2.gz DSDJYUCMIUELHJ-BQYQJAHWSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OCCC)cc1 ZINC001116643531 802391553 /nfs/dbraw/zinc/39/15/53/802391553.db2.gz QWHGHVWQDKWWME-HIFRSBDPSA-N 0 3 263.381 3.327 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCc3ncccc32)cc1 ZINC001120282055 802738638 /nfs/dbraw/zinc/73/86/38/802738638.db2.gz HWBBXOYEINOGQZ-KRWDZBQOSA-N 0 3 263.344 3.120 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC001121972675 802854648 /nfs/dbraw/zinc/85/46/48/802854648.db2.gz DTDIRWHRLOOPNJ-CYBMUJFWSA-N 0 3 299.374 3.327 20 30 CGEDHN N#CC(C(=O)C=C(C1CC1)C1CC1)c1cccc(F)n1 ZINC001122632031 802877539 /nfs/dbraw/zinc/87/75/39/802877539.db2.gz NVHLMWFNGWMIBI-ZDUSSCGKSA-N 0 3 270.307 3.143 20 30 CGEDHN Cc1scc(C(=O)C(C#N)c2ncc(Cl)n2C)c1C ZINC001123234264 802920605 /nfs/dbraw/zinc/92/06/05/802920605.db2.gz STGTYEFVILUYOP-SECBINFHSA-N 0 3 293.779 3.242 20 30 CGEDHN N#CCC1CN(CCCCCOCc2ccccc2)C1 ZINC001208804331 813854390 /nfs/dbraw/zinc/85/43/90/813854390.db2.gz OYEZJDHQSPVZKY-UHFFFAOYSA-N 0 3 272.392 3.219 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131943433 803359684 /nfs/dbraw/zinc/35/96/84/803359684.db2.gz PJOKLLPOPFVBQX-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(C)C)CC[C@@H]1C ZINC001132065463 803371122 /nfs/dbraw/zinc/37/11/22/803371122.db2.gz USDLVRKSXYUBTC-GJZGRUSLSA-N 0 3 280.456 3.214 20 30 CGEDHN N#Cc1c(Cl)cccc1-c1cnccc1N1CCOCC1 ZINC001244725139 803514750 /nfs/dbraw/zinc/51/47/50/803514750.db2.gz XIYZJKIIVQKGKY-UHFFFAOYSA-N 0 3 299.761 3.110 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001136449637 803644318 /nfs/dbraw/zinc/64/43/18/803644318.db2.gz OTPZMAKOTNLONP-NVXWUHKLSA-N 0 3 288.435 3.316 20 30 CGEDHN N#C[C@H]1CCCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136939729 803661378 /nfs/dbraw/zinc/66/13/78/803661378.db2.gz RSYMSPWBHAWZPZ-ZDUSSCGKSA-N 0 3 294.345 3.456 20 30 CGEDHN CCCCCCCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC001137583422 803742588 /nfs/dbraw/zinc/74/25/88/803742588.db2.gz IFVRDGJCROTUNW-INIZCTEOSA-N 0 3 280.456 3.480 20 30 CGEDHN COc1ccc(CN2CCC[C@@H]2C(C)C)c(C#N)c1 ZINC001137706197 803762990 /nfs/dbraw/zinc/76/29/90/803762990.db2.gz REAUCWDKCDFDQG-MRXNPFEDSA-N 0 3 258.365 3.187 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2nccnc12 ZINC001138303364 803890019 /nfs/dbraw/zinc/89/00/19/803890019.db2.gz UQSGGYIDKSIFQE-UHFFFAOYSA-N 0 3 288.354 3.133 20 30 CGEDHN CN(C)c1ccc(CN(C)Cc2ccc(C#N)cc2)s1 ZINC001138491568 803952079 /nfs/dbraw/zinc/95/20/79/803952079.db2.gz PZNAYCIUCXIMDW-UHFFFAOYSA-N 0 3 285.416 3.318 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001138624346 803983086 /nfs/dbraw/zinc/98/30/86/803983086.db2.gz FBJUBAQUHRDUAT-GASCZTMLSA-N 0 3 257.377 3.353 20 30 CGEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001138624346 803983088 /nfs/dbraw/zinc/98/30/88/803983088.db2.gz FBJUBAQUHRDUAT-GASCZTMLSA-N 0 3 257.377 3.353 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(F)(F)CC2)c1[O-] ZINC001138624783 803983529 /nfs/dbraw/zinc/98/35/29/803983529.db2.gz UQIQEMDGNOWEAS-UHFFFAOYSA-N 0 3 267.319 3.352 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC(OC)CC1 ZINC001138662819 803996682 /nfs/dbraw/zinc/99/66/82/803996682.db2.gz CKOOXEQZXKWORV-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN CCCCCCCC[C@@H](O)CNc1ccnc(CN)c1 ZINC001245957384 804089383 /nfs/dbraw/zinc/08/93/83/804089383.db2.gz UAXZWUIEYXDOLJ-MRXNPFEDSA-N 0 3 279.428 3.064 20 30 CGEDHN C=CCOc1ccccc1CN(CCC)CCOC ZINC001139027416 804112129 /nfs/dbraw/zinc/11/21/29/804112129.db2.gz XYMXXTAAEUKPQK-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C=CCOc1ccccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001139032951 804114448 /nfs/dbraw/zinc/11/44/48/804114448.db2.gz XFXVEAHYWYGRGH-SOUVJXGZSA-N 0 3 261.340 3.184 20 30 CGEDHN CCOCC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139725953 804267757 /nfs/dbraw/zinc/26/77/57/804267757.db2.gz LBKCYSOHAACBEF-UHFFFAOYSA-N 0 3 272.392 3.115 20 30 CGEDHN N#Cc1cc(F)cc(CN2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001139877354 804308737 /nfs/dbraw/zinc/30/87/37/804308737.db2.gz HCCKVLXITKJRBE-LSDHHAIUSA-N 0 3 258.340 3.319 20 30 CGEDHN COC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC001140139530 804386386 /nfs/dbraw/zinc/38/63/86/804386386.db2.gz UXOSXIUDLYBPIA-HNNXBMFYSA-N 0 3 276.355 3.087 20 30 CGEDHN COCC[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC001140137770 804387573 /nfs/dbraw/zinc/38/75/73/804387573.db2.gz YHQANYXTCIPNTO-HNNXBMFYSA-N 0 3 276.355 3.088 20 30 CGEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)c(C)cc1O ZINC001140201638 804400652 /nfs/dbraw/zinc/40/06/52/804400652.db2.gz UISZQZCTAQDJSE-AWEZNQCLSA-N 0 3 258.365 3.135 20 30 CGEDHN [O-]c1cnccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001140281333 804406923 /nfs/dbraw/zinc/40/69/23/804406923.db2.gz AIQBASBCWLTJLS-UHFFFAOYSA-N 0 3 292.382 3.051 20 30 CGEDHN CCCCCCC[C@H](C)N1CCC(F)(F)[C@H](N)C1 ZINC001246584844 804427335 /nfs/dbraw/zinc/42/73/35/804427335.db2.gz VFIGWVUJDVBQNK-QWHCGFSZSA-N 0 3 262.388 3.404 20 30 CGEDHN CCCCCCC[C@@H](CCC)N1CC2(C1)CNCCO2 ZINC001246617613 804452013 /nfs/dbraw/zinc/45/20/13/804452013.db2.gz CTTLBBKRTMVNJM-MRXNPFEDSA-N 0 3 282.472 3.190 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3CCCC[C@H]32)cn1 ZINC001140543604 804458851 /nfs/dbraw/zinc/45/88/51/804458851.db2.gz CSUNHLIBKAKSTH-GDBMZVCRSA-N 0 3 255.365 3.108 20 30 CGEDHN C[C@H]1CCN(Cc2cccc(C#N)c2Cl)CC[C@@]1(C)O ZINC001140808250 804525374 /nfs/dbraw/zinc/52/53/74/804525374.db2.gz NORONLKCQBYPPI-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN N#CC1CCC(N2CCOC[C@H]2Cc2ccccc2)CC1 ZINC001256971139 807021184 /nfs/dbraw/zinc/02/11/84/807021184.db2.gz CRAUFEDMGTWSRH-DAWZGUTISA-N 0 3 284.403 3.012 20 30 CGEDHN COc1ccc2nccc(CN3CCC[C@H](C#N)CC3)c2c1 ZINC001141150684 804598173 /nfs/dbraw/zinc/59/81/73/804598173.db2.gz KBUGEMYHAADSJE-AWEZNQCLSA-N 0 3 295.386 3.369 20 30 CGEDHN COc1cc(C)cc(CN2CCC[C@H](CC#N)C2)c1 ZINC001143156095 804811700 /nfs/dbraw/zinc/81/17/00/804811700.db2.gz DJGJYPZJHVCGSU-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN N#Cc1cncc(CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC001144079838 804934192 /nfs/dbraw/zinc/93/41/92/804934192.db2.gz KPOQHRZITHKQOV-MRXNPFEDSA-N 0 3 277.371 3.018 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H](Oc3ccncc3)C2)cc1 ZINC001144581287 805011755 /nfs/dbraw/zinc/01/17/55/805011755.db2.gz OODBURNJVSXZGG-IBGZPJMESA-N 0 3 292.382 3.106 20 30 CGEDHN C=CCN(CC=C)Cc1cn(C)c2ccnc(Cl)c12 ZINC001248837625 805014635 /nfs/dbraw/zinc/01/46/35/805014635.db2.gz KPDMRADFNPYQPN-UHFFFAOYSA-N 0 3 275.783 3.401 20 30 CGEDHN C#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249252720 805121410 /nfs/dbraw/zinc/12/14/10/805121410.db2.gz RXKZRJGYLNGQTG-AWEZNQCLSA-N 0 3 297.398 3.422 20 30 CGEDHN C#C[C@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249252720 805121415 /nfs/dbraw/zinc/12/14/15/805121415.db2.gz RXKZRJGYLNGQTG-AWEZNQCLSA-N 0 3 297.398 3.422 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249525077 805165282 /nfs/dbraw/zinc/16/52/82/805165282.db2.gz XUBRHTDHHQTITM-LBPRGKRZSA-N 0 3 271.339 3.433 20 30 CGEDHN C=CCN(CC=C)Cc1ccc2c(c1)N(CC)CC2 ZINC001249665541 805207651 /nfs/dbraw/zinc/20/76/51/805207651.db2.gz XZBVLIGYZQTWPM-UHFFFAOYSA-N 0 3 256.393 3.243 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001154262931 805445111 /nfs/dbraw/zinc/44/51/11/805445111.db2.gz RUMRILNRWAYREB-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN CN(C)Cc1ccc(CC(=O)c2ccc(C#N)cc2)cc1 ZINC001250207954 805490568 /nfs/dbraw/zinc/49/05/68/805490568.db2.gz CVVSKHLNHOJXBJ-UHFFFAOYSA-N 0 3 278.355 3.045 20 30 CGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166692578 807085042 /nfs/dbraw/zinc/08/50/42/807085042.db2.gz CGBKTOBKTBNQDN-GXTWGEPZSA-N 0 3 298.858 3.073 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)CC1CCCC1 ZINC001167557573 807205661 /nfs/dbraw/zinc/20/56/61/807205661.db2.gz SIENEXSIPNBBBO-LBPRGKRZSA-N 0 3 286.847 3.051 20 30 CGEDHN N#Cc1coc(CNC2CCN(c3cccc(F)c3)CC2)c1 ZINC001258418374 807444082 /nfs/dbraw/zinc/44/40/82/807444082.db2.gz MOEFPOTYPFCDEK-UHFFFAOYSA-N 0 3 299.349 3.049 20 30 CGEDHN CCCC1CCC(N2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC001258534704 807489980 /nfs/dbraw/zinc/48/99/80/807489980.db2.gz PBWUSERHSAPNGM-UHFFFAOYSA-N 0 3 292.423 3.124 20 30 CGEDHN C[C@@H](CC#N)NC1CCN(c2ccccc2Cl)CC1 ZINC001258538812 807490233 /nfs/dbraw/zinc/49/02/33/807490233.db2.gz IFPGHTXMTLVBMN-LBPRGKRZSA-N 0 3 277.799 3.201 20 30 CGEDHN C#CCN(CC#C)[C@H](Cc1ccccc1)CC(C)C ZINC001169086601 807572228 /nfs/dbraw/zinc/57/22/28/807572228.db2.gz VDDKYWCZNLZAIK-SFHVURJKSA-N 0 3 253.389 3.212 20 30 CGEDHN C=CCC[C@H](C)N1CC2(C1)CCCN2C(=O)OC(C)(C)C ZINC001258727241 807574599 /nfs/dbraw/zinc/57/45/99/807574599.db2.gz FZRFPRPBTYPPNW-AWEZNQCLSA-N 0 3 294.439 3.426 20 30 CGEDHN N#Cc1ccccc1CN[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663512 807870351 /nfs/dbraw/zinc/87/03/51/807870351.db2.gz DJBOTEQVJXMSSX-MRXNPFEDSA-N 0 3 298.336 3.484 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1-c1nc(C)c[nH]1 ZINC001263113814 807934220 /nfs/dbraw/zinc/93/42/20/807934220.db2.gz UIURWXLZIJIJOH-AWEZNQCLSA-N 0 3 298.390 3.007 20 30 CGEDHN N#CCC1(N[C@H]2CCc3cccc(F)c3C2)CCCC1 ZINC001170978039 807950207 /nfs/dbraw/zinc/95/02/07/807950207.db2.gz RXTMGQWLGUNDJP-AWEZNQCLSA-N 0 3 272.367 3.499 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171105355 807985597 /nfs/dbraw/zinc/98/55/97/807985597.db2.gz SPDGSYIXZLTGNP-GJZGRUSLSA-N 0 3 262.784 3.479 20 30 CGEDHN Cc1nc(CN[C@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171174966 807999538 /nfs/dbraw/zinc/99/95/38/807999538.db2.gz GSWGRMQHYXSPCB-LLVKDONJSA-N 0 3 271.389 3.044 20 30 CGEDHN C[C@@H](N[C@@H](C)Cc1cccc(C#N)c1)c1nccs1 ZINC001171185267 808003002 /nfs/dbraw/zinc/00/30/02/808003002.db2.gz PPGNLZSZQSSHCX-NWDGAFQWSA-N 0 3 271.389 3.297 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001265082930 808108752 /nfs/dbraw/zinc/10/87/52/808108752.db2.gz ISNLGRFNNLOOHY-DZGCQCFKSA-N 0 3 296.842 3.208 20 30 CGEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](CCC)CC1CCCC1 ZINC001265832357 808186149 /nfs/dbraw/zinc/18/61/49/808186149.db2.gz HRRNRGXKOPAJBH-RDJZCZTQSA-N 0 3 292.467 3.101 20 30 CGEDHN CC[C@@H](C)OCC[C@@H](C)NCC1(C#N)CCCC1 ZINC001172317854 808227281 /nfs/dbraw/zinc/22/72/81/808227281.db2.gz VNDORLKSPDBBIE-ZIAGYGMSSA-N 0 3 252.402 3.254 20 30 CGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=C)Cl ZINC001265998877 808200812 /nfs/dbraw/zinc/20/08/12/808200812.db2.gz VUPPTBSJSYAIMG-LSDHHAIUSA-N 0 3 298.858 3.454 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)N[C@@H]1COC(C)(C)C1 ZINC001172278062 808210856 /nfs/dbraw/zinc/21/08/56/808210856.db2.gz QRWIBNHOZSFUKK-KBPBESRZSA-N 0 3 275.392 3.470 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)Nc1cccc(F)c1CN ZINC001172290494 808216250 /nfs/dbraw/zinc/21/62/50/808216250.db2.gz QBHSIYASPNYOOO-GFCCVEGCSA-N 0 3 283.350 3.199 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ccccc1C#N ZINC001172292281 808217844 /nfs/dbraw/zinc/21/78/44/808217844.db2.gz FDXPCQNMMQTEKR-AWEZNQCLSA-N 0 3 275.355 3.151 20 30 CGEDHN CC(C)c1cc(CN[C@H](C)Cc2ccc(C#N)cc2)on1 ZINC001172296527 808218764 /nfs/dbraw/zinc/21/87/64/808218764.db2.gz AMQGASNHPRRPDA-CYBMUJFWSA-N 0 3 283.375 3.390 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NC1(CC#N)CCCC1 ZINC001172308203 808223285 /nfs/dbraw/zinc/22/32/85/808223285.db2.gz JCAAIEGNLLNNSA-CQSZACIVSA-N 0 3 267.376 3.305 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C(C)C)cc1 ZINC001266351865 808247752 /nfs/dbraw/zinc/24/77/52/808247752.db2.gz CUTIVEUAWUBQEY-UHFFFAOYSA-N 0 3 274.408 3.048 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001266362062 808249734 /nfs/dbraw/zinc/24/97/34/808249734.db2.gz XMEKKKFLUVWCSI-JKSUJKDBSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCC[C@H](CC)N1CC(N2CC(F)C2)C1 ZINC001172356414 808252726 /nfs/dbraw/zinc/25/27/26/808252726.db2.gz ITVFBGZDFBYBHC-HNNXBMFYSA-N 0 3 270.436 3.463 20 30 CGEDHN CCCCCCC[C@@H](CC)n1cc(CN)c(C)nc1=N ZINC001172359481 808253645 /nfs/dbraw/zinc/25/36/45/808253645.db2.gz WTYPHDPJFUXHIN-OAHLLOKOSA-N 0 3 278.444 3.441 20 30 CGEDHN C#CCCN1CCC[C@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001266494838 808276025 /nfs/dbraw/zinc/27/60/25/808276025.db2.gz BGRWZCFOPIHNRR-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C2CCC2)cc1 ZINC001267199741 808379155 /nfs/dbraw/zinc/37/91/55/808379155.db2.gz VHKHIJUPXIPUGU-UHFFFAOYSA-N 0 3 286.419 3.192 20 30 CGEDHN C#CCCN[C@H](CNC(=O)CC(C)(C)C=C)c1ccccc1 ZINC001267521685 808438675 /nfs/dbraw/zinc/43/86/75/808438675.db2.gz VAANXQYITVSIHY-QGZVFWFLSA-N 0 3 298.430 3.059 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001267711349 808473821 /nfs/dbraw/zinc/47/38/21/808473821.db2.gz SQHMORPCZIIRFN-PMPSAXMXSA-N 0 3 290.451 3.207 20 30 CGEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001267711588 808474909 /nfs/dbraw/zinc/47/49/09/808474909.db2.gz AZYLQLHXIMUOEM-HOTGVXAUSA-N 0 3 278.440 3.208 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001267772061 808487965 /nfs/dbraw/zinc/48/79/65/808487965.db2.gz SDVOWJYVUYTPAE-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC1(C(=O)NC/C=C/CNC/C=C\Cl)CCCC1 ZINC001268631528 808601795 /nfs/dbraw/zinc/60/17/95/808601795.db2.gz BKPHGGVSGMFLAL-VLHCFCLRSA-N 0 3 296.842 3.137 20 30 CGEDHN C=CCOC1CCC(N2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001173321354 808611614 /nfs/dbraw/zinc/61/16/14/808611614.db2.gz JIWVXVLSBALTSZ-CVSAEHQPSA-N 0 3 273.367 3.272 20 30 CGEDHN CC1(C#N)CCC(N2CCc3cc4c(cc3C2)OCO4)CC1 ZINC001173592832 808648610 /nfs/dbraw/zinc/64/86/10/808648610.db2.gz BNABEKYEIBOKJX-UHFFFAOYSA-N 0 3 298.386 3.246 20 30 CGEDHN CC1(C#N)CCC(NCC(=O)c2cc(F)ccc2F)CC1 ZINC001173590871 808648865 /nfs/dbraw/zinc/64/88/65/808648865.db2.gz DSNNMOIAFXRXJY-UHFFFAOYSA-N 0 3 292.329 3.210 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C(C)(C)C2CCC2)C1 ZINC001270982246 808757479 /nfs/dbraw/zinc/75/74/79/808757479.db2.gz GWUKXZMONRBBDI-SFHVURJKSA-N 0 3 292.467 3.217 20 30 CGEDHN C=CCN1CC[C@@]2(CCCN2Cc2cc(C)cc(C)c2)C1=O ZINC001273005719 808831548 /nfs/dbraw/zinc/83/15/48/808831548.db2.gz LYYCNYMURHRBRY-IBGZPJMESA-N 0 3 298.430 3.056 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)CCCCC(C)(C)C)CC1 ZINC001273417076 808843848 /nfs/dbraw/zinc/84/38/48/808843848.db2.gz DVRJGBIQHIRAKC-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CCC)C(C)C)C(C)(C)C1 ZINC001274454586 808875531 /nfs/dbraw/zinc/87/55/31/808875531.db2.gz PCVPTRUEKASQJX-CVEARBPZSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001276021573 808985036 /nfs/dbraw/zinc/98/50/36/808985036.db2.gz UTSMRPLQQGIPRH-LBPRGKRZSA-N 0 3 296.361 3.034 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H](CC)C(C)C)C1 ZINC001276453757 809009896 /nfs/dbraw/zinc/00/98/96/809009896.db2.gz POXJQSZZJGPBRU-CABCVRRESA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001276802025 809032836 /nfs/dbraw/zinc/03/28/36/809032836.db2.gz WGENJCDYCIHIHL-FUHWJXTLSA-N 0 3 298.430 3.221 20 30 CGEDHN Cc1cnccc1Nc1c(C#N)cccc1C(F)(F)F ZINC001174539281 809070626 /nfs/dbraw/zinc/07/06/26/809070626.db2.gz BEZAZHPEVRFSJA-UHFFFAOYSA-N 0 3 277.249 3.446 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)CCCCCC)CC1 ZINC001278087354 809115029 /nfs/dbraw/zinc/11/50/29/809115029.db2.gz DXXDZOLWCWVLIH-UHFFFAOYSA-N 0 3 266.429 3.114 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)CCC1CCC1)C(C)C ZINC001278899276 809154304 /nfs/dbraw/zinc/15/43/04/809154304.db2.gz GVBCLZPVSMKPEE-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccccc1F ZINC001282133090 809232821 /nfs/dbraw/zinc/23/28/21/809232821.db2.gz JOPLYRUUYINEMS-KBPBESRZSA-N 0 3 292.398 3.165 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCCC1(C)C)C(C)C ZINC001284544947 809309250 /nfs/dbraw/zinc/30/92/50/809309250.db2.gz LPQAFPUICMUTCU-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001297373587 809516566 /nfs/dbraw/zinc/51/65/66/809516566.db2.gz YUOUGKAVPULXAN-INIZCTEOSA-N 0 3 278.440 3.089 20 30 CGEDHN N#CCc1ccc(CNCc2cccc3nsnc32)cc1 ZINC001179028112 809900445 /nfs/dbraw/zinc/90/04/45/809900445.db2.gz KVRFOYDOOJFJMJ-UHFFFAOYSA-N 0 3 294.383 3.047 20 30 CGEDHN C=CCOCCNCc1cnc(-c2ccsc2)s1 ZINC001179238655 809910675 /nfs/dbraw/zinc/91/06/75/809910675.db2.gz VCOKNHWQONLGEI-UHFFFAOYSA-N 0 3 280.418 3.164 20 30 CGEDHN CCCCCCC[C@@H](C)C(=O)N1CCN2CCC1CC2 ZINC001181122067 810038698 /nfs/dbraw/zinc/03/86/98/810038698.db2.gz KBEBZTMWWCCWBW-OAHLLOKOSA-N 0 3 280.456 3.290 20 30 CGEDHN C#CC1(NCc2cccc3c2NCCC3)CCCC1 ZINC001183498145 810150376 /nfs/dbraw/zinc/15/03/76/810150376.db2.gz CXOYEHMSOGFLSV-UHFFFAOYSA-N 0 3 254.377 3.080 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190369670 810624112 /nfs/dbraw/zinc/62/41/12/810624112.db2.gz FKHSZDNODUJVSY-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191423195 810713448 /nfs/dbraw/zinc/71/34/48/810713448.db2.gz OKXZRCHOHGUBIH-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001194199668 811034747 /nfs/dbraw/zinc/03/47/47/811034747.db2.gz FBKKBLPXZGVKCK-AEFFLSMTSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194306753 811047893 /nfs/dbraw/zinc/04/78/93/811047893.db2.gz WWCOWNCOLHPFTQ-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194326368 811052454 /nfs/dbraw/zinc/05/24/54/811052454.db2.gz OOYQXWZFDJFKIC-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C#CCCCCNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001201408533 811832990 /nfs/dbraw/zinc/83/29/90/811832990.db2.gz VTVFTDYJNDATSM-UHFFFAOYSA-N 0 3 299.340 3.131 20 30 CGEDHN CCCCCCCN1CCc2cnc(OC)cc2C1 ZINC001201804999 811965877 /nfs/dbraw/zinc/96/58/77/811965877.db2.gz XZOPZAWDHWEFPK-UHFFFAOYSA-N 0 3 262.397 3.419 20 30 CGEDHN C=CCSCCNCc1cc2ccccc2nc1OC ZINC001201938859 811978303 /nfs/dbraw/zinc/97/83/03/811978303.db2.gz KMIUZLBOPNAQRY-UHFFFAOYSA-N 0 3 288.416 3.252 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC(C)(C)C)C12CCC2 ZINC001202503700 812109995 /nfs/dbraw/zinc/10/99/95/812109995.db2.gz YZVXNAYNPWAVQI-CHWSQXEVSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC(C)(C)C)C12CCC2 ZINC001202503705 812110133 /nfs/dbraw/zinc/11/01/33/812110133.db2.gz YZVXNAYNPWAVQI-STQMWFEESA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C=C(/C)CC)C12CCC2 ZINC001202845855 812187340 /nfs/dbraw/zinc/18/73/40/812187340.db2.gz FMFUBJKGOFQEFD-ZOAGNIGNSA-N 0 3 296.842 3.112 20 30 CGEDHN O=C1C=C2CN(Cc3c(F)cccc3Cl)CCC2S1 ZINC001203399594 812344429 /nfs/dbraw/zinc/34/44/29/812344429.db2.gz GNPSRIQZXLQNDT-ZDUSSCGKSA-N 0 3 297.782 3.253 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OC(C)C)C2)cc1 ZINC001204303647 812606825 /nfs/dbraw/zinc/60/68/25/812606825.db2.gz OSUHNLTUKWPNPZ-KRWDZBQOSA-N 0 3 275.392 3.251 20 30 CGEDHN Cc1cc(C)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001204520269 812665455 /nfs/dbraw/zinc/66/54/55/812665455.db2.gz XPAWZYKKDPUMNQ-OAHLLOKOSA-N 0 3 273.401 3.078 20 30 CGEDHN N#Cc1ccn(-c2ccc(CN3CCCCC3)c(F)c2)c1N ZINC001215711768 815563823 /nfs/dbraw/zinc/56/38/23/815563823.db2.gz XDLSIMNWJAFNDK-UHFFFAOYSA-N 0 3 298.365 3.056 20 30 CGEDHN C#C[C@@H](NCc1cc(OC)cc(C(F)(F)F)c1)C(C)C ZINC001205714035 813058670 /nfs/dbraw/zinc/05/86/70/813058670.db2.gz PRYGEGBXHJQDJD-CQSZACIVSA-N 0 3 285.309 3.461 20 30 CGEDHN C#Cc1ccc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC001205923725 813135746 /nfs/dbraw/zinc/13/57/46/813135746.db2.gz DODUNJCKKSISDF-SFHVURJKSA-N 0 3 299.801 3.487 20 30 CGEDHN Cn1cc(CN2CCC3(CC[C@@H](F)C3)CC2)cc1C#N ZINC001207108397 813487354 /nfs/dbraw/zinc/48/73/54/813487354.db2.gz ASTNWOJFLAOLNG-CQSZACIVSA-N 0 3 275.371 3.001 20 30 CGEDHN CCCCCCC/C=C/CN1C[C@@H]2C[C@H]1CN2C ZINC001208123187 813697531 /nfs/dbraw/zinc/69/75/31/813697531.db2.gz GDXYZSNNGPXNJT-IGXNXKSNSA-N 0 3 250.430 3.291 20 30 CGEDHN CCCCCCC/C=C/CN1CCC(NC(=O)NC)CC1 ZINC001208124606 813697650 /nfs/dbraw/zinc/69/76/50/813697650.db2.gz VWLHPQNUNDAMBB-MDZDMXLPSA-N 0 3 295.471 3.297 20 30 CGEDHN C=CCN1CCN(CC2=CC[C@@H](C(=C)C)CC2)CC1 ZINC001208177173 813728428 /nfs/dbraw/zinc/72/84/28/813728428.db2.gz OXWJONDTJRNNBO-QGZVFWFLSA-N 0 3 260.425 3.093 20 30 CGEDHN N#Cc1ccccc1O[C@@H]1CCCN(C[C@H]2CCC=CO2)C1 ZINC001208880849 813878949 /nfs/dbraw/zinc/87/89/49/813878949.db2.gz PSYPQIVYVNFQDO-IAGOWNOFSA-N 0 3 298.386 3.094 20 30 CGEDHN N#Cc1ccc(CCN2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001208928777 813903316 /nfs/dbraw/zinc/90/33/16/813903316.db2.gz IHOLTCPGIBOGOX-LJQANCHMSA-N 0 3 298.430 3.382 20 30 CGEDHN N#Cc1ccc(CCN2CCc3ncc(Cl)cc3C2)cc1 ZINC001208929798 813904747 /nfs/dbraw/zinc/90/47/47/813904747.db2.gz UDUZSRULLADPOC-UHFFFAOYSA-N 0 3 297.789 3.207 20 30 CGEDHN C=CCN1CCN(CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001209128239 813943949 /nfs/dbraw/zinc/94/39/49/813943949.db2.gz HRJUUKFLRHYHKA-UHFFFAOYSA-N 0 3 298.352 3.052 20 30 CGEDHN C=CCCCN1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001209158404 813951341 /nfs/dbraw/zinc/95/13/41/813951341.db2.gz NGWUVEMNTFAKHX-ZIAGYGMSSA-N 0 3 280.412 3.036 20 30 CGEDHN C#CCCCN1CCSC[C@H]1c1cccc(OC)c1 ZINC001209267543 813990172 /nfs/dbraw/zinc/99/01/72/813990172.db2.gz IWTWKXXGAGPPIH-INIZCTEOSA-N 0 3 275.417 3.199 20 30 CGEDHN C=CCCCCCCN1CCN(Cc2ccncc2)CC1 ZINC001209436025 814037574 /nfs/dbraw/zinc/03/75/74/814037574.db2.gz MNNPDWVVRAQGQN-UHFFFAOYSA-N 0 3 287.451 3.336 20 30 CGEDHN CCN1CCc2cc(C3=CC(=O)C[C@@H](C)C3)ccc2C1 ZINC001242740057 823117512 /nfs/dbraw/zinc/11/75/12/823117512.db2.gz VAVXRFIPCBIHIK-ZDUSSCGKSA-N 0 3 269.388 3.447 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001210307629 814395683 /nfs/dbraw/zinc/39/56/83/814395683.db2.gz QDWKOIGMCBXNHO-RRFJBIMHSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001210415719 814451278 /nfs/dbraw/zinc/45/12/78/814451278.db2.gz AHNFCSMUAJNKLD-OWCLPIDISA-N 0 3 280.456 3.071 20 30 CGEDHN C[C@@H]1CC(=O)C=C(Nc2cccc(CN(C)C)c2)C1 ZINC001210769756 814616250 /nfs/dbraw/zinc/61/62/50/814616250.db2.gz FMSIDKLYOWUMOR-LBPRGKRZSA-N 0 3 258.365 3.043 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001211393070 814888515 /nfs/dbraw/zinc/88/85/15/814888515.db2.gz ANWRPIFKAYLJNJ-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN CC[C@@H](C#Cc1ccccc1)Oc1cccc2c1CNC2 ZINC001218439774 816212930 /nfs/dbraw/zinc/21/29/30/816212930.db2.gz VKVUYPHXTLKKPT-KRWDZBQOSA-N 0 3 277.367 3.499 20 30 CGEDHN Cc1ccc(C#N)c(O[C@H]2CNCc3ccccc32)c1 ZINC001218487765 816241893 /nfs/dbraw/zinc/24/18/93/816241893.db2.gz WKJWVELKCGOFSN-KRWDZBQOSA-N 0 3 264.328 3.090 20 30 CGEDHN Cc1cc(C#N)cc(O[C@@H]2CNCc3ccccc32)c1 ZINC001218490185 816245207 /nfs/dbraw/zinc/24/52/07/816245207.db2.gz XMKJDCAGUQYWRQ-QGZVFWFLSA-N 0 3 264.328 3.090 20 30 CGEDHN C=CCCC(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001226464087 817365527 /nfs/dbraw/zinc/36/55/27/817365527.db2.gz ZZWIERINLXJSEC-YFHOEESVSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCN(C)Cc1ccc(OC(=O)C(C)C)c(OCC)c1 ZINC001231560135 818124919 /nfs/dbraw/zinc/12/49/19/818124919.db2.gz SLVBVLDWMGMXSR-UHFFFAOYSA-N 0 3 291.391 3.265 20 30 CGEDHN C#Cc1cccc(CN2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001231657331 818150424 /nfs/dbraw/zinc/15/04/24/818150424.db2.gz IYKAANBYEWIUPS-CQSZACIVSA-N 0 3 285.284 3.392 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@@H]2c2cccnc2)c1 ZINC001231656825 818150985 /nfs/dbraw/zinc/15/09/85/818150985.db2.gz SZUALQHSXGRSGC-GOSISDBHSA-N 0 3 262.356 3.400 20 30 CGEDHN Cc1cc(C)c(CN2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001231842451 818186468 /nfs/dbraw/zinc/18/64/68/818186468.db2.gz MIZNCRXXHQLEHB-UHFFFAOYSA-N 0 3 292.382 3.439 20 30 CGEDHN N#CCCN(Cc1cc2c[nH]ccc-2n1)C1CCCC1 ZINC001232014738 818232942 /nfs/dbraw/zinc/23/29/42/818232942.db2.gz OENPHQQXHQVLCH-UHFFFAOYSA-N 0 3 268.364 3.221 20 30 CGEDHN N#CCCN(Cc1cc2cnccc2[nH]1)C1CCCC1 ZINC001232014738 818232945 /nfs/dbraw/zinc/23/29/45/818232945.db2.gz OENPHQQXHQVLCH-UHFFFAOYSA-N 0 3 268.364 3.221 20 30 CGEDHN N#Cc1ccnc(CN2CCC3(C2)CCCCC3)c1 ZINC001232482864 818366668 /nfs/dbraw/zinc/36/66/68/818366668.db2.gz ZBIVVQUIRGTRAU-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN COc1cccc(C)c1CN1CCC[C@H](C#N)CC1 ZINC001232624885 818403395 /nfs/dbraw/zinc/40/33/95/818403395.db2.gz HQMUELXWGDTPDK-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN CCN(Cc1ccc(C#N)s1)Cc1ccccc1O ZINC001232847159 818455099 /nfs/dbraw/zinc/45/50/99/818455099.db2.gz SHUJVWIWYAQVPN-UHFFFAOYSA-N 0 3 272.373 3.347 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2ncoc2c1 ZINC001232940567 818478973 /nfs/dbraw/zinc/47/89/73/818478973.db2.gz BXTUXHGBAHLVDU-UHFFFAOYSA-N 0 3 277.327 3.331 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)c(C#N)c1 ZINC001232965995 818485432 /nfs/dbraw/zinc/48/54/32/818485432.db2.gz CSMBTXFRTXRYQL-QGZVFWFLSA-N 0 3 277.371 3.251 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CCCCCC=C ZINC001233948194 818737230 /nfs/dbraw/zinc/73/72/30/818737230.db2.gz RXCBSQFEWQYQMY-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234038384 818763299 /nfs/dbraw/zinc/76/32/99/818763299.db2.gz AVMNQQWWNQKZOV-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555590 818880492 /nfs/dbraw/zinc/88/04/92/818880492.db2.gz XDCMSRWLOGKLCD-CQSZACIVSA-N 0 3 298.858 3.264 20 30 CGEDHN N#CCC1C[NH+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234990525 818969268 /nfs/dbraw/zinc/96/92/68/818969268.db2.gz HRGXXUYJSAWPNU-UHFFFAOYSA-N 0 3 278.355 3.405 20 30 CGEDHN C#CCN(Cc1ccc(N)cc1)[C@@H]1CCc2ccccc21 ZINC001235834970 819180787 /nfs/dbraw/zinc/18/07/87/819180787.db2.gz RQINOTHJOWMAAX-LJQANCHMSA-N 0 3 276.383 3.392 20 30 CGEDHN C#CC1CCN(Cc2ccc3sc(C)nc3c2)CC1 ZINC001235856827 819188098 /nfs/dbraw/zinc/18/80/98/819188098.db2.gz FPGIVVPSFAWDCY-UHFFFAOYSA-N 0 3 270.401 3.450 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2ccc(F)c3cccnc23)CC1 ZINC001237425340 819749415 /nfs/dbraw/zinc/74/94/15/819749415.db2.gz GRKMDEMCLKGMKO-CYBMUJFWSA-N 0 3 283.350 3.500 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC001237745063 819833903 /nfs/dbraw/zinc/83/39/03/819833903.db2.gz BPZXSNFJZPSHLJ-KBPBESRZSA-N 0 3 260.768 3.444 20 30 CGEDHN CCCCCCCCNC(=O)N1CCN[C@@H](CCC)C1 ZINC001239295705 820256390 /nfs/dbraw/zinc/25/63/90/820256390.db2.gz NFMMLIQHQQNETA-HNNXBMFYSA-N 0 3 283.460 3.130 20 30 CGEDHN N#Cc1ccc(-c2ccc3c(N)ccnc3c2)cc1F ZINC001240156516 820864232 /nfs/dbraw/zinc/86/42/32/820864232.db2.gz DJRDTLSIWCVDRL-UHFFFAOYSA-N 0 3 263.275 3.495 20 30 CGEDHN N#CCc1cccnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240383997 821006960 /nfs/dbraw/zinc/00/69/60/821006960.db2.gz IGGCUAGSXKSNAI-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN N#Cc1cccc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240385379 821008414 /nfs/dbraw/zinc/00/84/14/821008414.db2.gz PXQJPXUWLDRWBF-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN N#Cc1cc(C2=CCN(Cc3ccccc3)CC2)cnc1F ZINC001241504177 821905814 /nfs/dbraw/zinc/90/58/14/821905814.db2.gz AKUUQKNAPHRAID-UHFFFAOYSA-N 0 3 293.345 3.382 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1ccc(F)cc1C#N ZINC001242584556 823044563 /nfs/dbraw/zinc/04/45/63/823044563.db2.gz WQPWENXGBAPBSY-SOFGYWHQSA-N 0 3 267.307 3.292 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1OCC1CC1 ZINC001340092504 936397727 /nfs/dbraw/zinc/39/77/27/936397727.db2.gz BUEYDYLAFVHEBW-AWEZNQCLSA-N 0 3 288.391 3.098 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@@H](C)Cc1ccsc1 ZINC001341069130 936426379 /nfs/dbraw/zinc/42/63/79/936426379.db2.gz BHOBAPYZIFCYJM-ZFWWWQNUSA-N 0 3 294.464 3.211 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(CSC)cc1 ZINC001343231911 936491723 /nfs/dbraw/zinc/49/17/23/936491723.db2.gz DFYRGAVHTCEMMK-AWEZNQCLSA-N 0 3 278.421 3.172 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001343715976 936511685 /nfs/dbraw/zinc/51/16/85/936511685.db2.gz GOAJPAOPFZVFKE-BYNSBNAKSA-N 0 3 285.391 3.203 20 30 CGEDHN C=CCCCNCc1nc2c(s1)C[C@@H](C)CC2 ZINC001344108549 936526396 /nfs/dbraw/zinc/52/63/96/936526396.db2.gz DYTPPSMHLPEKOS-NSHDSACASA-N 0 3 250.411 3.324 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCC1CCCCC1 ZINC001344875528 936547796 /nfs/dbraw/zinc/54/77/96/936547796.db2.gz UAWRSLQJOXRYKL-CQSZACIVSA-N 0 3 273.380 3.440 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(C)CCCCCC1 ZINC001345647237 936819872 /nfs/dbraw/zinc/81/98/72/936819872.db2.gz TZUJLQASZJSGJR-ZDUSSCGKSA-N 0 3 273.380 3.440 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C(C)(C)CC(C)C ZINC001346097146 936837987 /nfs/dbraw/zinc/83/79/87/936837987.db2.gz YTWORDYMVDMVTC-LBPRGKRZSA-N 0 3 261.369 3.152 20 30 CGEDHN CC(C)[C@H](F)C(=O)C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001346152434 936839891 /nfs/dbraw/zinc/83/98/91/936839891.db2.gz YIULIBKQBGAHPV-KWQFWETISA-N 0 3 293.729 3.387 20 30 CGEDHN CC(C)[C@H](F)C(=O)C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001346152433 936840170 /nfs/dbraw/zinc/84/01/70/936840170.db2.gz YIULIBKQBGAHPV-KCJUWKMLSA-N 0 3 293.729 3.387 20 30 CGEDHN C=C[C@H](COC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC001346938267 936865663 /nfs/dbraw/zinc/86/56/63/936865663.db2.gz MQFJDLQYKAWXAJ-ZYHUDNBSSA-N 0 3 269.772 3.206 20 30 CGEDHN C=C[C@@H](COC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC001346938264 936865836 /nfs/dbraw/zinc/86/58/36/936865836.db2.gz MQFJDLQYKAWXAJ-PWSUYJOCSA-N 0 3 269.772 3.206 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(CCCCCF)C1 ZINC001479909814 936922921 /nfs/dbraw/zinc/92/29/21/936922921.db2.gz RLUVUGQFUVMFSN-DOTOQJQBSA-N 0 3 298.446 3.309 20 30 CGEDHN Cc1cc(C)cc([C@H](C)NCc2cncc(C#N)c2)c1 ZINC001354471972 937102930 /nfs/dbraw/zinc/10/29/30/937102930.db2.gz MOKNXQBYQXMQGW-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](CC)CCCC ZINC001481674306 927055138 /nfs/dbraw/zinc/05/51/38/927055138.db2.gz LIAFXSALJYXDCK-IKGGRYGDSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCCCC(=O)N(C)CCN(C)Cc1ccccc1C ZINC001482623715 927328828 /nfs/dbraw/zinc/32/88/28/927328828.db2.gz WKOLQEDQLKORAW-UHFFFAOYSA-N 0 3 288.435 3.242 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCO[C@@H]1C ZINC001473118710 937164573 /nfs/dbraw/zinc/16/45/73/937164573.db2.gz QSRIXEPGSPINRE-ZIAGYGMSSA-N 0 3 263.356 3.239 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NCc1scnc1C ZINC001357397500 937170986 /nfs/dbraw/zinc/17/09/86/937170986.db2.gz RPWGKRJMNJAWGC-ZDUSSCGKSA-N 0 3 297.468 3.146 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NCc1ccncc1C ZINC001357503409 937173243 /nfs/dbraw/zinc/17/32/43/937173243.db2.gz OTRMSPVSANUTCS-INIZCTEOSA-N 0 3 291.439 3.084 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(OC)ccc1C1CC1 ZINC001357999462 937185108 /nfs/dbraw/zinc/18/51/08/937185108.db2.gz GYSHWKREGDSFCD-OAHLLOKOSA-N 0 3 288.391 3.195 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC2(C)C)cc1 ZINC001484560794 927722042 /nfs/dbraw/zinc/72/20/42/927722042.db2.gz HIYNDCUZYWCROA-YOEHRIQHSA-N 0 3 298.430 3.023 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001484720875 927743866 /nfs/dbraw/zinc/74/38/66/927743866.db2.gz WJGIFCDQKSLOJV-IIQYJXCPSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2(CC)CCCC2)C(C)(C)C1 ZINC001484940474 927774554 /nfs/dbraw/zinc/77/45/54/927774554.db2.gz NNUOJYAYONOUQL-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CC[C@@H]1N(CC[S@@](=O)C(F)(F)F)CCCC1(C)C ZINC001473432126 937199315 /nfs/dbraw/zinc/19/93/15/937199315.db2.gz IVONEZNNLFKTKG-JEOXALJRSA-N 0 3 297.386 3.322 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)CCCC)CCC[C@@H]12 ZINC001486152096 927990949 /nfs/dbraw/zinc/99/09/49/927990949.db2.gz NUVYZQBWKWKYFF-BFYDXBDKSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCC2CCC2)[C@@H]1C ZINC001486168899 927993760 /nfs/dbraw/zinc/99/37/60/927993760.db2.gz ATMGWJINAYHSCF-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN COc1cccc(/C=N/C[C@H](c2ccccc2)N(C)C)c1O ZINC000005288914 928124425 /nfs/dbraw/zinc/12/44/25/928124425.db2.gz YQDJVJXYKWDFAS-PUMYGXPMSA-N 0 3 298.386 3.123 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CCC ZINC001488677423 928292778 /nfs/dbraw/zinc/29/27/78/928292778.db2.gz QBOZBUWEBAIBHH-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C1CCC(C(=O)N2CCCC[C@H]2[C@H](C)NCCF)CC1 ZINC001490306705 928343749 /nfs/dbraw/zinc/34/37/49/928343749.db2.gz OZGIGDZCJPWTLB-HOCLYGCPSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCCCCN1CCC[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001490428388 928365002 /nfs/dbraw/zinc/36/50/02/928365002.db2.gz VUORPFAFPKDTTQ-CABCVRRESA-N 0 3 298.496 3.065 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001490570640 928374567 /nfs/dbraw/zinc/37/45/67/928374567.db2.gz QMIILHQMUINPMF-CVEARBPZSA-N 0 3 296.430 3.062 20 30 CGEDHN COc1ccc(CNCc2cccc(C)c2)cc1C#N ZINC000087822578 928686897 /nfs/dbraw/zinc/68/68/97/928686897.db2.gz XBBWVNNBTBTGCY-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)CCCC ZINC001491206012 928844980 /nfs/dbraw/zinc/84/49/80/928844980.db2.gz HWZBVUOEMOYPFV-CVEARBPZSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NCc1cccc(F)c1 ZINC001491469944 928867126 /nfs/dbraw/zinc/86/71/26/928867126.db2.gz PSDCFOOYDIGVPZ-ZDUSSCGKSA-N 0 3 292.398 3.022 20 30 CGEDHN Cc1cc(NC[C@H](c2cccs2)N(C)C)ncc1C#N ZINC001458053049 937449515 /nfs/dbraw/zinc/44/95/15/937449515.db2.gz AKUVJYBIJFKJEE-CYBMUJFWSA-N 0 3 286.404 3.038 20 30 CGEDHN CCS[C@@H]1CC[C@H](N(C)Cc2cc(C#N)ccn2)C1 ZINC001459554120 937491856 /nfs/dbraw/zinc/49/18/56/937491856.db2.gz AFZVVOZHPZOZPY-LSDHHAIUSA-N 0 3 275.421 3.059 20 30 CGEDHN CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC001459984215 937510300 /nfs/dbraw/zinc/51/03/00/937510300.db2.gz MPOXMYFKMYVGLE-VNHYZAJKSA-N 0 3 285.391 3.006 20 30 CGEDHN C#CC1CCN([C@@H](CC)C(=O)Nc2ccc(C)cc2)CC1 ZINC001460291438 937525361 /nfs/dbraw/zinc/52/53/61/937525361.db2.gz XIRFADLXVTYMEO-KRWDZBQOSA-N 0 3 284.403 3.057 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC001460364896 937528292 /nfs/dbraw/zinc/52/82/92/937528292.db2.gz VDSPOSOTOQIVQT-UONOGXRCSA-N 0 3 267.413 3.395 20 30 CGEDHN N#Cc1cncc(CN2CC=CC23CCCCC3)c1 ZINC001460977537 937557244 /nfs/dbraw/zinc/55/72/44/937557244.db2.gz JEINRNILGNQRCP-UHFFFAOYSA-N 0 3 253.349 3.028 20 30 CGEDHN C#C[C@H]1CCC[C@@H]1Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301962 932129075 /nfs/dbraw/zinc/12/90/75/932129075.db2.gz FASHZAIWQNRTID-KSSFIOAISA-N 0 3 285.387 3.002 20 30 CGEDHN C=CC[C@H](C=C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303541 932129327 /nfs/dbraw/zinc/12/93/27/932129327.db2.gz UQURIGULNDOWSF-HNNXBMFYSA-N 0 3 273.376 3.331 20 30 CGEDHN CCCn1cncc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC001461586905 937587067 /nfs/dbraw/zinc/58/70/67/937587067.db2.gz SFYNRQQEIQAPFX-GOSISDBHSA-N 0 3 294.402 3.332 20 30 CGEDHN C[C@H](C#C[Si](C)(C)C)Oc1ccccc1CN(C)C ZINC001229702513 932471142 /nfs/dbraw/zinc/47/11/42/932471142.db2.gz SPAVDDGZHZHLEN-CQSZACIVSA-N 0 3 275.468 3.396 20 30 CGEDHN CCCCCCC[C@@H](C)Oc1nncc2n[nH]cc21 ZINC001230895769 932637347 /nfs/dbraw/zinc/63/73/47/932637347.db2.gz KPFLGWOTETUOPI-LLVKDONJSA-N 0 3 262.357 3.481 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CC(=C)C)[C@@H]1C ZINC001332208709 932734646 /nfs/dbraw/zinc/73/46/46/932734646.db2.gz WWSSEPBJOMOSAV-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN C=CC1(CC(=O)NC[C@H](C)NC/C=C\Cl)CCCCC1 ZINC001317279519 932824840 /nfs/dbraw/zinc/82/48/40/932824840.db2.gz YHUUJENRKYTDAK-YHAOYDPOSA-N 0 3 298.858 3.360 20 30 CGEDHN CC(C)C[C@@H]1CCCN(Cc2cc(C#N)ccn2)C1 ZINC001307584466 932972808 /nfs/dbraw/zinc/97/28/08/932972808.db2.gz SJZYFZNASTXPGH-HNNXBMFYSA-N 0 3 257.381 3.211 20 30 CGEDHN C#CCN(CC[C@@H](C)c1ccccc1)C1CSC1 ZINC001462521462 937647239 /nfs/dbraw/zinc/64/72/39/937647239.db2.gz WZTXKEXBCMUNPH-CQSZACIVSA-N 0 3 259.418 3.231 20 30 CGEDHN C=CC[C@H]1CCCN(CC(=O)N(C(C)C)C2CCCC2)C1 ZINC001307913965 933018283 /nfs/dbraw/zinc/01/82/83/933018283.db2.gz ARSJGEXUIWMEBZ-INIZCTEOSA-N 0 3 292.467 3.454 20 30 CGEDHN CCC(CC)CN(CCC#N)C(=O)[C@H]1CCCN1C(C)C ZINC001464928978 937696906 /nfs/dbraw/zinc/69/69/06/937696906.db2.gz QJSFAEKGUGKHSB-MRXNPFEDSA-N 0 3 293.455 3.038 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001317401311 933585329 /nfs/dbraw/zinc/58/53/29/933585329.db2.gz QKOCIXTXRDGNMM-TUVASFSCSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1oc(C)cc1C)c1ccccc1 ZINC001317715770 933636554 /nfs/dbraw/zinc/63/65/54/933636554.db2.gz SVUGBQCWSUTBOC-INIZCTEOSA-N 0 3 298.386 3.143 20 30 CGEDHN C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2C(C)C)c1ccccc1 ZINC001318228938 933698385 /nfs/dbraw/zinc/69/83/85/933698385.db2.gz WQMFZCDICFKELD-NJAFHUGGSA-N 0 3 298.430 3.040 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)CCCC[C@H](C)CC)C1 ZINC001318407659 933721751 /nfs/dbraw/zinc/72/17/51/933721751.db2.gz SCYXBDCFYZFSRT-SJORKVTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cc(F)cc3cccnc32)C1 ZINC001320378760 934038485 /nfs/dbraw/zinc/03/84/85/934038485.db2.gz YJGNLJFKBOFCRG-MRXNPFEDSA-N 0 3 286.350 3.151 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)CN[C@H](C)c1ccccc1F ZINC001321628812 934199366 /nfs/dbraw/zinc/19/93/66/934199366.db2.gz XLRUGPZZJBYIBG-ZIAGYGMSSA-N 0 3 292.398 3.337 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C(C)(C)C)CC1 ZINC001321690000 934203080 /nfs/dbraw/zinc/20/30/80/934203080.db2.gz PJZHFTYMYVUXTC-AWEZNQCLSA-N 0 3 271.408 3.035 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)CC1CCCCC1 ZINC001322394688 934293128 /nfs/dbraw/zinc/29/31/28/934293128.db2.gz KNEFYHHHMREJBR-UHFFFAOYSA-N 0 3 286.847 3.147 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001323358481 934388791 /nfs/dbraw/zinc/38/87/91/934388791.db2.gz UJXHCJINKVPDGO-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001323439277 934396565 /nfs/dbraw/zinc/39/65/65/934396565.db2.gz YDTSWDCWNADVAW-TVQRCGJNSA-N 0 3 257.736 3.067 20 30 CGEDHN C=C[C@@H](COC)NC/C(C)=C\c1ccccc1OC(F)F ZINC001324159421 934467273 /nfs/dbraw/zinc/46/72/73/934467273.db2.gz XUPIUEQOPXHXIL-UQTJOTSZSA-N 0 3 297.345 3.482 20 30 CGEDHN COc1ccc(C[C@H]2CCN2Cc2cccc(C#N)c2)cc1 ZINC001473220112 937798082 /nfs/dbraw/zinc/79/80/82/937798082.db2.gz ZWRKTKALLAPAKV-GOSISDBHSA-N 0 3 292.382 3.384 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001324958233 934876881 /nfs/dbraw/zinc/87/68/81/934876881.db2.gz REUMLESDPHAMHW-CRAIPNDOSA-N 0 3 292.467 3.217 20 30 CGEDHN C=C[C@@H](COC)NC/C(C)=C/c1ccccc1COC ZINC001326198026 934959215 /nfs/dbraw/zinc/95/92/15/934959215.db2.gz WIWLUFBPRWFSKM-SHRNQRGKSA-N 0 3 275.392 3.027 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cnn(-c2ccccc2)n1 ZINC001473638465 937815660 /nfs/dbraw/zinc/81/56/60/937815660.db2.gz VPSGWOLWHQJMCY-MAUKXSAKSA-N 0 3 296.418 3.492 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001329450284 935217259 /nfs/dbraw/zinc/21/72/59/935217259.db2.gz LGGIKJGGWQWVGC-OAHLLOKOSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC001329575479 935229451 /nfs/dbraw/zinc/22/94/51/935229451.db2.gz TYHZYNSXBBBEOZ-HZPDHXFCSA-N 0 3 288.435 3.193 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001329573939 935229507 /nfs/dbraw/zinc/22/95/07/935229507.db2.gz NVTQTOFMZFVQII-HOCLYGCPSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC001329746377 935243702 /nfs/dbraw/zinc/24/37/02/935243702.db2.gz UKILLNHXPMUCGM-YGRLFVJLSA-N 0 3 269.747 3.257 20 30 CGEDHN C#CCN(C/C=C/c1ccc(F)c(F)c1)CC1CC1 ZINC001329755220 935244638 /nfs/dbraw/zinc/24/46/38/935244638.db2.gz KTMVQSHFPJHQOB-ONEGZZNKSA-N 0 3 261.315 3.323 20 30 CGEDHN C=CCC[C@@H](NCc1cccnc1OCC)[C@H]1CCCO1 ZINC001330830516 935327456 /nfs/dbraw/zinc/32/74/56/935327456.db2.gz PLYVRSLDKLBCMP-HZPDHXFCSA-N 0 3 290.407 3.084 20 30 CGEDHN C1CCN([C@@H]2CCCCC2=NNC2CCSCC2)CC1 ZINC001330904226 935333192 /nfs/dbraw/zinc/33/31/92/935333192.db2.gz SUMIABRRHIMLRK-MRXNPFEDSA-N 0 3 295.496 3.256 20 30 CGEDHN CC[C@@](C)(NCc1cncc(C#N)c1)c1ccccc1 ZINC001333176373 935516209 /nfs/dbraw/zinc/51/62/09/935516209.db2.gz VZKOSFMHIJXZHA-QGZVFWFLSA-N 0 3 265.360 3.368 20 30 CGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN1CCC(=C)C ZINC001479250384 937918550 /nfs/dbraw/zinc/91/85/50/937918550.db2.gz RKXKQGIVROSJMH-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001479914962 937928990 /nfs/dbraw/zinc/92/89/90/937928990.db2.gz BJGPFTBBRDNUKN-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001479960113 937929808 /nfs/dbraw/zinc/92/98/08/937929808.db2.gz AJDFOTXQEWRRSF-WBVHZDCISA-N 0 3 298.430 3.077 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)CCCC2CC2)CC1 ZINC001479994260 937930991 /nfs/dbraw/zinc/93/09/91/937930991.db2.gz IRFAAAIQJXYGPC-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)c2cocc2C)CC1 ZINC001479994273 937931101 /nfs/dbraw/zinc/93/11/01/937931101.db2.gz IYQHYZHLFCGGIK-UHFFFAOYSA-N 0 3 290.407 3.091 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001480172644 937933513 /nfs/dbraw/zinc/93/35/13/937933513.db2.gz XNHAXEVPKKFABQ-HDJSIYSDSA-N 0 3 298.858 3.336 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)c1ccoc1C)c1ccccc1 ZINC001493880170 937951772 /nfs/dbraw/zinc/95/17/72/937951772.db2.gz IIGHVSDVGBKHKA-KRWDZBQOSA-N 0 3 298.386 3.225 20 30 CGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@H](C)CCC)C1 ZINC001493942792 937952101 /nfs/dbraw/zinc/95/21/01/937952101.db2.gz RJSIAYFZQLVLQQ-SJORKVTESA-N 0 3 292.467 3.149 20 30 CGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@@H](C)CCC)C1 ZINC001493942791 937952109 /nfs/dbraw/zinc/95/21/09/937952109.db2.gz RJSIAYFZQLVLQQ-IRXDYDNUSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)C(C)C)C1 ZINC001493968924 937952375 /nfs/dbraw/zinc/95/23/75/937952375.db2.gz MWGSAOGPCLLKBC-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2(C)CCCCC2)C1 ZINC001494837046 937956689 /nfs/dbraw/zinc/95/66/89/937956689.db2.gz QLNNYSJEFFSSIG-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001499071834 937972275 /nfs/dbraw/zinc/97/22/75/937972275.db2.gz KVYNMJNTDQPGEF-CVEARBPZSA-N 0 3 292.467 3.338 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001502147863 937981753 /nfs/dbraw/zinc/98/17/53/937981753.db2.gz RGGBSUZXRAWWHF-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001506028453 937988517 /nfs/dbraw/zinc/98/85/17/937988517.db2.gz WOKNZWVNZSFONK-BZUAXINKSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C(C)(C)C1CC1 ZINC001506934892 937992893 /nfs/dbraw/zinc/99/28/93/937992893.db2.gz CPPCVKYMVSRNMD-GFCCVEGCSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001507379285 937995676 /nfs/dbraw/zinc/99/56/76/937995676.db2.gz AWBSFYLFCNHMSB-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN N#CC(C(=O)C=Cc1ccccc1F)c1cccc(F)n1 ZINC001516710593 938009498 /nfs/dbraw/zinc/00/94/98/938009498.db2.gz NOUKKYJXRFSTGE-BCPZQOPPSA-N 0 3 284.265 3.249 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)c1cccc(F)n1 ZINC001516783790 938009786 /nfs/dbraw/zinc/00/97/86/938009786.db2.gz XVYOMZSRELOTJX-ZJUUUORDSA-N 0 3 282.265 3.222 20 30 CGEDHN N#CC(C(=O)CCCF)c1nc2c(cccc2Cl)[nH]1 ZINC001517125058 938011246 /nfs/dbraw/zinc/01/12/46/938011246.db2.gz QITLROOYMHHVHB-MRVPVSSYSA-N 0 3 279.702 3.142 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001520036450 938022651 /nfs/dbraw/zinc/02/26/51/938022651.db2.gz NCEAWOMYSKSTKU-QLFBSQMISA-N 0 3 285.391 3.296 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1ccccc1F ZINC001526594960 938056649 /nfs/dbraw/zinc/05/66/49/938056649.db2.gz STNHPQVYMMLOMA-GXTWGEPZSA-N 0 3 299.349 3.097 20 30 CGEDHN CCC#C[C@@H](C)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001559530514 938228657 /nfs/dbraw/zinc/22/86/57/938228657.db2.gz BRKIYRCEMKWUMY-QGZVFWFLSA-N 0 3 284.447 3.385 20 30 CGEDHN C#CCCN(Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC001560071786 938243058 /nfs/dbraw/zinc/24/30/58/938243058.db2.gz OQXDZQUZNQXFKY-LJQANCHMSA-N 0 3 279.383 3.246 20 30 CGEDHN CCc1ccc2c(c1)CCN(CC1(CC#N)CC1)C2 ZINC001560238744 938248548 /nfs/dbraw/zinc/24/85/48/938248548.db2.gz WPCNZBSTNGUUTH-UHFFFAOYSA-N 0 3 254.377 3.301 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3[nH]ccc3c2)s1 ZINC001560509742 938260857 /nfs/dbraw/zinc/26/08/57/938260857.db2.gz PVBOODGGZIWBJM-UHFFFAOYSA-N 0 3 267.357 3.391 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C ZINC001565831265 960828601 /nfs/dbraw/zinc/82/86/01/960828601.db2.gz DCDRZXQLLZYXPL-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)CCC ZINC001565824508 960830041 /nfs/dbraw/zinc/83/00/41/960830041.db2.gz IZVBXTMUXHVJMY-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001566633478 960971085 /nfs/dbraw/zinc/97/10/85/960971085.db2.gz PGTJNCMDHJAIGO-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001567860987 961443632 /nfs/dbraw/zinc/44/36/32/961443632.db2.gz FFIWRSJTXRWCBK-JYJNAYRXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001567851818 961448535 /nfs/dbraw/zinc/44/85/35/961448535.db2.gz IZPBFHKLLVWSPM-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)C(C)C ZINC001568454169 961582252 /nfs/dbraw/zinc/58/22/52/961582252.db2.gz GMHZGBUJOWUMMP-OLZOCXBDSA-N 0 3 288.863 3.152 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccsc1C ZINC001569356199 961737122 /nfs/dbraw/zinc/73/71/22/961737122.db2.gz SGRIQNMGMPGPIL-JSGCOSHPSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001569462086 961769101 /nfs/dbraw/zinc/76/91/01/961769101.db2.gz UTXCVULAGUETOT-CALCHBBNSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001569449060 961770389 /nfs/dbraw/zinc/77/03/89/961770389.db2.gz SKZNBTRTKQZYPY-SJORKVTESA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001569643329 961809995 /nfs/dbraw/zinc/80/99/95/961809995.db2.gz WQGBEDUHKCWKMU-PBHICJAKSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001570395776 961961601 /nfs/dbraw/zinc/96/16/01/961961601.db2.gz QGAAMSFLZAEHDT-UONOGXRCSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccoc1C(C)C ZINC001570549322 961995938 /nfs/dbraw/zinc/99/59/38/961995938.db2.gz WRTBYJCUYRQPJE-CQSZACIVSA-N 0 3 290.407 3.125 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573329405 962249304 /nfs/dbraw/zinc/24/93/04/962249304.db2.gz JADDXWXEZBDSBE-HOCLYGCPSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573329405 962249321 /nfs/dbraw/zinc/24/93/21/962249321.db2.gz JADDXWXEZBDSBE-HOCLYGCPSA-N 0 3 297.406 3.091 20 30 CGEDHN CCCCCCN([O-])C(=O)CC1(C[NH3+])CCCCC1 ZINC001577432761 962541829 /nfs/dbraw/zinc/54/18/29/962541829.db2.gz PKIPADRNGJMAPW-UHFFFAOYSA-N 0 3 270.417 3.084 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@@H](OC)CC[C@@H]1C ZINC001577426400 962542201 /nfs/dbraw/zinc/54/22/01/962542201.db2.gz NJWLYHDAIDCIFT-JYJNAYRXSA-N 0 3 298.471 3.090 20 30 CGEDHN CCCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001587874679 963230587 /nfs/dbraw/zinc/23/05/87/963230587.db2.gz IUSDSECHEYCQII-INIZCTEOSA-N 0 3 286.435 3.286 20 30 CGEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(-c3nnn[n-]3)c2)C1 ZINC001588560882 963288523 /nfs/dbraw/zinc/28/85/23/963288523.db2.gz VFCJBRYEORBYLL-ZFWWWQNUSA-N 0 3 297.406 3.010 20 30 CGEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(-c3nn[n-]n3)c2)C1 ZINC001588560882 963288534 /nfs/dbraw/zinc/28/85/34/963288534.db2.gz VFCJBRYEORBYLL-ZFWWWQNUSA-N 0 3 297.406 3.010 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1F)c1ccsc1 ZINC000337616858 214183001 /nfs/dbraw/zinc/18/30/01/214183001.db2.gz BLENVNJNGFGQKF-HNNXBMFYSA-N 0 3 289.379 3.474 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2nnc3n2CCCCC3)C1 ZINC000651673823 398266942 /nfs/dbraw/zinc/26/69/42/398266942.db2.gz YEJXGWPSJMWHAR-KFWWJZLASA-N 0 3 288.439 3.400 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cn3c(cccc3C)n2)C1 ZINC000651700697 398271239 /nfs/dbraw/zinc/27/12/39/398271239.db2.gz PHTKCHUINVWNMR-GJZGRUSLSA-N 0 3 269.392 3.477 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nn(C)c3ccccc23)C1 ZINC000651762423 398284384 /nfs/dbraw/zinc/28/43/84/398284384.db2.gz UIFXKDIPYQGCLV-UONOGXRCSA-N 0 3 269.392 3.408 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2nnc(C)s2)C1 ZINC000651761831 398284295 /nfs/dbraw/zinc/28/42/95/398284295.db2.gz JRBKTCVEMXIECW-YUSALJHKSA-N 0 3 251.399 3.242 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000451501522 534928213 /nfs/dbraw/zinc/92/82/13/534928213.db2.gz PEAUPBPMZCIPND-CVEARBPZSA-N 0 3 290.382 3.379 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000591260493 346912466 /nfs/dbraw/zinc/91/24/66/346912466.db2.gz LWBQJTQEWCOLHT-GFCCVEGCSA-N 0 3 260.768 3.091 20 30 CGEDHN CCc1ccc([C@@H](CNc2cccnc2C#N)N(C)C)cc1 ZINC000358841171 529709028 /nfs/dbraw/zinc/70/90/28/529709028.db2.gz PDPBRAUALMTHIT-GOSISDBHSA-N 0 3 294.402 3.230 20 30 CGEDHN CCCCN(CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351976525 136384879 /nfs/dbraw/zinc/38/48/79/136384879.db2.gz BWIWQMOQIKHNRH-KRWDZBQOSA-N 0 3 299.418 3.176 20 30 CGEDHN CC[C@@H](COCC(F)(F)F)NCc1cccc(C#N)c1 ZINC000295041633 199315837 /nfs/dbraw/zinc/31/58/37/199315837.db2.gz DYBDOLPFBDDCFF-ZDUSSCGKSA-N 0 3 286.297 3.005 20 30 CGEDHN C=C(CC)CNCc1cc(C)c(Br)cn1 ZINC000623542426 349830347 /nfs/dbraw/zinc/83/03/47/349830347.db2.gz AAENVDRHTFRUIL-UHFFFAOYSA-N 0 3 269.186 3.208 20 30 CGEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccncc1C#N ZINC000592072884 346960068 /nfs/dbraw/zinc/96/00/68/346960068.db2.gz QGKLLVPVGAJSHX-WWGRRREGSA-N 0 3 255.365 3.106 20 30 CGEDHN COc1ccccc1C1(N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000592393320 346982407 /nfs/dbraw/zinc/98/24/07/346982407.db2.gz GFZFPAODBMKBTH-UONOGXRCSA-N 0 3 270.376 3.356 20 30 CGEDHN Cc1cccc(C)c1CN(CC(C)C)C(=O)C(C)C#N ZINC000592824512 347017651 /nfs/dbraw/zinc/01/76/51/347017651.db2.gz OHSNKBSNWOUVQM-HNNXBMFYSA-N 0 3 272.392 3.448 20 30 CGEDHN C[C@]1(c2cccc(F)c2)CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000593040837 347030837 /nfs/dbraw/zinc/03/08/37/347030837.db2.gz MPSAELIJPNFXPZ-COXVUDFISA-N 0 3 272.367 3.481 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC3(CC2)C(F)(F)C3(F)F)C1 ZINC000593055706 347033933 /nfs/dbraw/zinc/03/39/33/347033933.db2.gz ZXFDZPGMIONCRX-VHSXEESVSA-N 0 3 276.277 3.045 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccccc1)C(C)C ZINC000046049361 345033138 /nfs/dbraw/zinc/03/31/38/345033138.db2.gz PNZZQPATEPHJLX-KRWDZBQOSA-N 0 3 286.419 3.115 20 30 CGEDHN CC(C)N(CCOc1ccccc1C#N)Cc1ccccn1 ZINC000050071582 345077839 /nfs/dbraw/zinc/07/78/39/345077839.db2.gz UNWNNKJDSFMOJZ-UHFFFAOYSA-N 0 3 295.386 3.243 20 30 CGEDHN Cc1ccc(CN(C)CCOc2cccc(C#N)c2)s1 ZINC000076342037 345541152 /nfs/dbraw/zinc/54/11/52/345541152.db2.gz ZTSQAYFEHMOVFE-UHFFFAOYSA-N 0 3 286.400 3.439 20 30 CGEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)c(C)c1 ZINC000076763367 345549432 /nfs/dbraw/zinc/54/94/32/345549432.db2.gz UGMQOJFMYKTJTD-ZDUSSCGKSA-N 0 3 286.356 3.259 20 30 CGEDHN COc1ccc(CN2CCC2(C)C)cc1OCCCC#N ZINC000093460444 345880072 /nfs/dbraw/zinc/88/00/72/345880072.db2.gz JKVHYWSPNMAWTD-UHFFFAOYSA-N 0 3 288.391 3.362 20 30 CGEDHN CC[C@H]1CN(Cc2ccc(C#N)cc2C)CCS1 ZINC000165509414 346184863 /nfs/dbraw/zinc/18/48/63/346184863.db2.gz HBSHFNHBMXCDMH-HNNXBMFYSA-N 0 3 260.406 3.194 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1 ZINC000208089617 346284718 /nfs/dbraw/zinc/28/47/18/346284718.db2.gz PUESBRINROCRHT-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN C[C@@H](NCc1ccc2c[nH]nc2c1)c1cccc(C#N)c1 ZINC000237445990 346345223 /nfs/dbraw/zinc/34/52/23/346345223.db2.gz WEIZBHYWLIKQBY-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN C=CCOc1ccc(CNCCOC(C)(C)C)cc1 ZINC000308694284 346467710 /nfs/dbraw/zinc/46/77/10/346467710.db2.gz NTUPNTPRBYQEPM-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CCC)c1ccc(Cl)cc1 ZINC000342214073 346504525 /nfs/dbraw/zinc/50/45/25/346504525.db2.gz YIKJYDRACYTVNQ-AWEZNQCLSA-N 0 3 280.799 3.073 20 30 CGEDHN C[C@@H](NC[C@H](C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000320644080 346488638 /nfs/dbraw/zinc/48/86/38/346488638.db2.gz IOUXINYUCGTVOX-QWHCGFSZSA-N 0 3 288.391 3.187 20 30 CGEDHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(C)C#N ZINC000463050234 346625999 /nfs/dbraw/zinc/62/59/99/346625999.db2.gz WPBXUJWOOPBNLL-IVMMDQJWSA-N 0 3 270.376 3.222 20 30 CGEDHN COC[C@H](C)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000525874640 346641682 /nfs/dbraw/zinc/64/16/82/346641682.db2.gz OKWNBIRNKLPXDJ-HYVNUMGLSA-N 0 3 272.392 3.041 20 30 CGEDHN C=CCOc1ccc(CN2CCC3(CCO3)CC2)cc1 ZINC000584577463 346684246 /nfs/dbraw/zinc/68/42/46/346684246.db2.gz XLIGKHCXTWNJOC-UHFFFAOYSA-N 0 3 273.376 3.006 20 30 CGEDHN CC1(NCc2nc(C#N)cs2)CCC(F)(F)CC1 ZINC000589316809 346793474 /nfs/dbraw/zinc/79/34/74/346793474.db2.gz CCVUUBPVGBQJQK-UHFFFAOYSA-N 0 3 271.336 3.072 20 30 CGEDHN Cc1c(CN(C)C(=O)C(C)C#N)oc2c1cccc2C ZINC000593847169 347117352 /nfs/dbraw/zinc/11/73/52/347117352.db2.gz ARYAJMLNRACHPQ-NSHDSACASA-N 0 3 270.332 3.168 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027151 347139179 /nfs/dbraw/zinc/13/91/79/347139179.db2.gz RQJGOTDKPDOCDY-KRWDZBQOSA-N 0 3 270.376 3.092 20 30 CGEDHN CC[C@H](NCc1cccc(C#N)c1F)[C@@H]1CCCCO1 ZINC000594040471 347142322 /nfs/dbraw/zinc/14/23/22/347142322.db2.gz GCDLVCOQCGRLGR-GJZGRUSLSA-N 0 3 276.355 3.135 20 30 CGEDHN C[C@H](CCC#N)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000594059755 347146951 /nfs/dbraw/zinc/14/69/51/347146951.db2.gz ZZENMGQZJAIHRK-KGLIPLIRSA-N 0 3 250.386 3.102 20 30 CGEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCCO1 ZINC000594516204 347185451 /nfs/dbraw/zinc/18/54/51/347185451.db2.gz BVQZYXADNRXELB-BBRMVZONSA-N 0 3 270.376 3.095 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2cc(C#N)cs2)C1 ZINC000594517610 347187499 /nfs/dbraw/zinc/18/74/99/347187499.db2.gz KPPUMVKQIXNAGT-HAQNSBGRSA-N 0 3 264.394 3.055 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)[C@H]1CCCCO1 ZINC000594521146 347188874 /nfs/dbraw/zinc/18/88/74/347188874.db2.gz RWRJTXFFWDLRJJ-JKSUJKDBSA-N 0 3 288.391 3.004 20 30 CGEDHN CN(CCCSCC#N)CCOc1ccc(Cl)cc1 ZINC000080626818 260317216 /nfs/dbraw/zinc/31/72/16/260317216.db2.gz PZJFBGPXIPCJNA-UHFFFAOYSA-N 0 3 298.839 3.297 20 30 CGEDHN CO[C@@H](CNCc1cccc(C#N)c1)C1CCCCC1 ZINC000594997588 347252010 /nfs/dbraw/zinc/25/20/10/347252010.db2.gz NPPYKGLZPJYKLD-KRWDZBQOSA-N 0 3 272.392 3.243 20 30 CGEDHN CC[C@@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000594952619 347239230 /nfs/dbraw/zinc/23/92/30/347239230.db2.gz XLLYGIGUVHPUTL-JKSUJKDBSA-N 0 3 270.376 3.095 20 30 CGEDHN C=CCCSCCNCc1cn(C)nc1C(C)(C)C ZINC000594960596 347241377 /nfs/dbraw/zinc/24/13/77/347241377.db2.gz VHYMQORSLUCKCG-UHFFFAOYSA-N 0 3 281.469 3.117 20 30 CGEDHN C=CCCSCCNCc1cn(C(C)C)nc1C ZINC000594960146 347241546 /nfs/dbraw/zinc/24/15/46/347241546.db2.gz KYOUCLFIQKFGQL-UHFFFAOYSA-N 0 3 267.442 3.171 20 30 CGEDHN C[C@@H]1CCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594986157 347249714 /nfs/dbraw/zinc/24/97/14/347249714.db2.gz SNCJULWENZCSGR-PBHICJAKSA-N 0 3 284.403 3.289 20 30 CGEDHN CCN(CCc1ccc(C#N)cc1)Cc1ccncc1 ZINC000595406051 347299522 /nfs/dbraw/zinc/29/95/22/347299522.db2.gz HBQYMMFGCMUPFH-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2COC3(CCC3)C2)cc1Cl ZINC000595038104 347265409 /nfs/dbraw/zinc/26/54/09/347265409.db2.gz GTLANEITCVMVCP-ZDUSSCGKSA-N 0 3 276.767 3.013 20 30 CGEDHN CC[C@H](N[C@H]1COC(C)(C)C1)c1ccc(C#N)cc1 ZINC000595051458 347270171 /nfs/dbraw/zinc/27/01/71/347270171.db2.gz UZCUHQGFFHNXLD-CABCVRRESA-N 0 3 258.365 3.166 20 30 CGEDHN CC[C@H](COCC1CC1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000595056423 347271905 /nfs/dbraw/zinc/27/19/05/347271905.db2.gz HEWGMSOSGSWIHJ-SJLPKXTDSA-N 0 3 284.403 3.340 20 30 CGEDHN CC1(C)[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1(F)F ZINC000595095020 347281741 /nfs/dbraw/zinc/28/17/41/347281741.db2.gz SWUNFOSSXSXNDJ-ZIAGYGMSSA-N 0 3 276.330 3.426 20 30 CGEDHN COc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1C ZINC000595101011 347284266 /nfs/dbraw/zinc/28/42/66/347284266.db2.gz AFBTVCSEXGHZGF-DZGCQCFKSA-N 0 3 258.365 3.176 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(C(=O)OC)co1 ZINC000595602703 347325086 /nfs/dbraw/zinc/32/50/86/347325086.db2.gz JYDSGGHXOLWUNR-SWLSCSKDSA-N 0 3 277.364 3.291 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000595658463 347334098 /nfs/dbraw/zinc/33/40/98/347334098.db2.gz JLXIOVQGOFQTDR-ZDUSSCGKSA-N 0 3 290.363 3.392 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000595659352 347334240 /nfs/dbraw/zinc/33/42/40/347334240.db2.gz NAWHMGGKXIBBDR-ZDUSSCGKSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CC[C@H]1CCCN(CC[S@](=O)c2ccccc2)C1 ZINC000595661354 347335734 /nfs/dbraw/zinc/33/57/34/347335734.db2.gz ZGDJINQPJCOREN-KXBFYZLASA-N 0 3 277.433 3.082 20 30 CGEDHN C=CCN(Cc1cccc(C(=O)OC)c1)C(C)(C)C ZINC000595763254 347352827 /nfs/dbraw/zinc/35/28/27/347352827.db2.gz MAPZKLLXOOKKEM-UHFFFAOYSA-N 0 3 261.365 3.260 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000595778953 347355312 /nfs/dbraw/zinc/35/53/12/347355312.db2.gz WJTWDEPGYQHCFK-HOTGVXAUSA-N 0 3 299.418 3.169 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccon2)CC1 ZINC000595829490 347361523 /nfs/dbraw/zinc/36/15/23/347361523.db2.gz UQTWWWHVGSHVKS-ZDUSSCGKSA-N 0 3 281.359 3.487 20 30 CGEDHN CN(Cc1ccnc(C#N)c1)C[C@@H]1CCc2ccccc21 ZINC000595881506 347370127 /nfs/dbraw/zinc/37/01/27/347370127.db2.gz SSOKDUCIQAFNOJ-INIZCTEOSA-N 0 3 277.371 3.115 20 30 CGEDHN CC1(C)Cc2n[nH]cc2CN(Cc2ccc(CC#N)cc2)C1 ZINC000596597169 347485786 /nfs/dbraw/zinc/48/57/86/347485786.db2.gz KHKYRZBVKJUBCY-UHFFFAOYSA-N 0 3 294.402 3.060 20 30 CGEDHN CC(C)CCO[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000596618550 347490720 /nfs/dbraw/zinc/49/07/20/347490720.db2.gz URFICWGKBNCDED-GOSISDBHSA-N 0 3 286.419 3.238 20 30 CGEDHN Cn1cc(CN2CCC[C@H](CC#N)C2)c(-c2ccccc2)n1 ZINC000597175437 347544544 /nfs/dbraw/zinc/54/45/44/347544544.db2.gz AYOZMIYAKSUIHD-OAHLLOKOSA-N 0 3 294.402 3.213 20 30 CGEDHN CCN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCCOC1 ZINC000597156914 347541385 /nfs/dbraw/zinc/54/13/85/347541385.db2.gz CLAWBYUYGQGMBA-KRWDZBQOSA-N 0 3 284.403 3.243 20 30 CGEDHN CSC1(CNCC2(C#N)CCCCC2)CCC1 ZINC000597224067 347556480 /nfs/dbraw/zinc/55/64/80/347556480.db2.gz DJJQADQPLBCIMZ-UHFFFAOYSA-N 0 3 252.427 3.336 20 30 CGEDHN Cc1cccc(C)c1[C@H]1CCCN1C(=O)C(C)C#N ZINC000597883191 347598808 /nfs/dbraw/zinc/59/88/08/347598808.db2.gz CVXSIQDVMRSFDZ-ZIAGYGMSSA-N 0 3 256.349 3.127 20 30 CGEDHN C[C@@H](NCC[C@@H]1CC1(F)F)c1ccc(C#N)cc1F ZINC000598678891 347677773 /nfs/dbraw/zinc/67/77/73/347677773.db2.gz AGADHSHRZCMFJU-MWLCHTKSSA-N 0 3 268.282 3.393 20 30 CGEDHN Cc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccc1Cl ZINC000598725735 347683539 /nfs/dbraw/zinc/68/35/39/347683539.db2.gz ZDEIXYIUNHLNRL-ZDUSSCGKSA-N 0 3 280.799 3.039 20 30 CGEDHN COc1cc(CNCCCC#N)cc(C(F)(F)F)c1 ZINC000598972258 347702487 /nfs/dbraw/zinc/70/24/87/347702487.db2.gz OELXYMVLYCMOED-UHFFFAOYSA-N 0 3 272.270 3.107 20 30 CGEDHN C/C=C\CNCc1ccc(C#N)cc1C(F)(F)F ZINC000599005719 347705675 /nfs/dbraw/zinc/70/56/75/347705675.db2.gz PGXUSPSVMYDSRT-IHWYPQMZSA-N 0 3 254.255 3.243 20 30 CGEDHN CCC[C@@H](CN[C@H](C)c1ccc(C#N)cc1)OCC ZINC000599059669 347712749 /nfs/dbraw/zinc/71/27/49/347712749.db2.gz JKVSZCUEWDSRJJ-CJNGLKHVSA-N 0 3 260.381 3.414 20 30 CGEDHN CC[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccc(C#N)cc1 ZINC000599086074 347715858 /nfs/dbraw/zinc/71/58/58/347715858.db2.gz YGBLRYZTEAQGMV-ULQDDVLXSA-N 0 3 270.376 3.166 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598584682 347666270 /nfs/dbraw/zinc/66/62/70/347666270.db2.gz RSUUGZYQOWVKRY-CYBMUJFWSA-N 0 3 278.421 3.037 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1cccc(F)c1)C1CC1 ZINC000598586787 347666684 /nfs/dbraw/zinc/66/66/84/347666684.db2.gz ZTABQEVLDGJJRV-MRXNPFEDSA-N 0 3 290.382 3.091 20 30 CGEDHN CCCN(Cc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598587919 347667462 /nfs/dbraw/zinc/66/74/62/347667462.db2.gz WGBMSKLEZDLFGS-HNNXBMFYSA-N 0 3 292.398 3.338 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H](O)CC1CCCC1)C2 ZINC000599679161 347765148 /nfs/dbraw/zinc/76/51/48/347765148.db2.gz WSWORBWLKQUVAS-SFHVURJKSA-N 0 3 298.430 3.052 20 30 CGEDHN Cc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1C#N ZINC000599304050 347733741 /nfs/dbraw/zinc/73/37/41/347733741.db2.gz PKBNOTVFAFTWGN-OLZOCXBDSA-N 0 3 260.406 3.193 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cc2ccccc2o1 ZINC000599358137 347739532 /nfs/dbraw/zinc/73/95/32/347739532.db2.gz FAKNWRSTXUBRTM-OCCSQVGLSA-N 0 3 284.359 3.138 20 30 CGEDHN CCOC1CC2(C1)CCN(Cc1ccc(C)c(C#N)c1)C2 ZINC000599417028 347743061 /nfs/dbraw/zinc/74/30/61/347743061.db2.gz IXOCXUJXSDDMIL-UHFFFAOYSA-N 0 3 284.403 3.258 20 30 CGEDHN CCO[C@@H](CNC1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000599454412 347746785 /nfs/dbraw/zinc/74/67/85/347746785.db2.gz MZMQMHSBOVNKFY-KRWDZBQOSA-N 0 3 284.403 3.342 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)oc2CC)C1 ZINC000599526869 347750527 /nfs/dbraw/zinc/75/05/27/347750527.db2.gz VIMCCJSJIPLHJV-LBPRGKRZSA-N 0 3 277.364 3.027 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000599526136 347750767 /nfs/dbraw/zinc/75/07/67/347750767.db2.gz FUNBTMLEODVRFV-GFCCVEGCSA-N 0 3 276.336 3.001 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599552054 347753585 /nfs/dbraw/zinc/75/35/85/347753585.db2.gz DRCHMKJGDNRYDL-CABCVRRESA-N 0 3 258.390 3.028 20 30 CGEDHN COc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)cc1C#N ZINC000599552691 347753772 /nfs/dbraw/zinc/75/37/72/347753772.db2.gz HVLWZTYXMCSWBV-CABCVRRESA-N 0 3 288.416 3.037 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)c1cccc(OC)c1OC ZINC000601280456 347888188 /nfs/dbraw/zinc/88/81/88/347888188.db2.gz OCTPZVUPFRLJMC-CQSZACIVSA-N 0 3 288.391 3.438 20 30 CGEDHN CC(C)[C@H]1OCCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602011615 347932634 /nfs/dbraw/zinc/93/26/34/347932634.db2.gz ILOWFROEJBMJRM-WMLDXEAASA-N 0 3 290.382 3.238 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000602430381 347956366 /nfs/dbraw/zinc/95/63/66/347956366.db2.gz ZUNWADZQMAJWTN-AWEZNQCLSA-N 0 3 291.826 3.402 20 30 CGEDHN Cc1cccc(CN2CCN(C[C@@H](C)CCC#N)CC2)c1 ZINC000602436563 347957326 /nfs/dbraw/zinc/95/73/26/347957326.db2.gz WLEREAPHLVZSQK-KRWDZBQOSA-N 0 3 285.435 3.053 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(=O)[nH]c1 ZINC000602439818 347958334 /nfs/dbraw/zinc/95/83/34/347958334.db2.gz NFWKJMIIEYNKSI-UHFFFAOYSA-N 0 3 281.359 3.069 20 30 CGEDHN C[C@@H](CCC#N)CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000602448041 347960068 /nfs/dbraw/zinc/96/00/68/347960068.db2.gz QNHYQJWYAUJGAE-HNNXBMFYSA-N 0 3 294.402 3.170 20 30 CGEDHN CCN(C[C@@H](C)CCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602477275 347964697 /nfs/dbraw/zinc/96/46/97/347964697.db2.gz ZZDSAVSQSFPALJ-DOTOQJQBSA-N 0 3 299.418 3.054 20 30 CGEDHN C[C@H](CCC#N)CN1CCS[C@H]2CCCC[C@H]21 ZINC000602474331 347965214 /nfs/dbraw/zinc/96/52/14/347965214.db2.gz HAKWKKKHPBQWLC-MCIONIFRSA-N 0 3 252.427 3.286 20 30 CGEDHN CC[C@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602535410 347977336 /nfs/dbraw/zinc/97/73/36/347977336.db2.gz YOHUWUBUJBHUSD-OAHLLOKOSA-N 0 3 265.360 3.064 20 30 CGEDHN Cc1cc(C)c(CCNCc2cccc(C#N)n2)c(C)c1 ZINC000602522555 347975064 /nfs/dbraw/zinc/97/50/64/347975064.db2.gz XTYKCJWMVGRSQI-UHFFFAOYSA-N 0 3 279.387 3.211 20 30 CGEDHN N#CC1CCC(N[C@@H]2COc3c2cccc3Cl)CC1 ZINC000602571077 347985036 /nfs/dbraw/zinc/98/50/36/347985036.db2.gz XUFYBFDMCAUIJY-QIMFLAQGSA-N 0 3 276.767 3.445 20 30 CGEDHN C[C@@H](CCC#N)CN[C@@H]1COc2ccc(Cl)cc21 ZINC000602572436 347985625 /nfs/dbraw/zinc/98/56/25/347985625.db2.gz ZMBAISDAYZQSOI-GXFFZTMASA-N 0 3 264.756 3.303 20 30 CGEDHN CC(C)c1csc(CNC2CCC(C#N)CC2)n1 ZINC000602573350 347986011 /nfs/dbraw/zinc/98/60/11/347986011.db2.gz CMBHYSNELUEFIN-UHFFFAOYSA-N 0 3 263.410 3.438 20 30 CGEDHN C[C@H](CCC#N)CNCc1ccn(C2CCCC2)n1 ZINC000602576415 347986673 /nfs/dbraw/zinc/98/66/73/347986673.db2.gz NBFRSPKCHAJUGE-CYBMUJFWSA-N 0 3 260.385 3.028 20 30 CGEDHN C[C@@H]1OCC[C@@H]1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000602787496 348029118 /nfs/dbraw/zinc/02/91/18/348029118.db2.gz TYDHDFQXRDERPZ-RANZSIQMSA-N 0 3 284.403 3.183 20 30 CGEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCC2(C#N)CCC2)cc1 ZINC000602698969 348012064 /nfs/dbraw/zinc/01/20/64/348012064.db2.gz OMTVMQXQGMSHDY-KBRIMQKVSA-N 0 3 284.403 3.471 20 30 CGEDHN Cc1cc(F)ccc1C[C@H](C)NCc1cccc(C#N)n1 ZINC000602709324 348014440 /nfs/dbraw/zinc/01/44/40/348014440.db2.gz RZFPJKMWVBLWJW-ZDUSSCGKSA-N 0 3 283.350 3.122 20 30 CGEDHN C[C@H](CCC#N)CNCc1cc(F)ccc1OC(F)F ZINC000602726092 348018515 /nfs/dbraw/zinc/01/85/15/348018515.db2.gz ZLDLWPIISZZPPV-SNVBAGLBSA-N 0 3 286.297 3.457 20 30 CGEDHN C/C=C/C[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602729003 348019526 /nfs/dbraw/zinc/01/95/26/348019526.db2.gz HAAZGRFDSIWLCL-BAABZTOOSA-N 0 3 255.365 3.131 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2c1CCOC2 ZINC000602757932 348024293 /nfs/dbraw/zinc/02/42/93/348024293.db2.gz BYQKEYHEYBNSIX-UHFFFAOYSA-N 0 3 292.382 3.263 20 30 CGEDHN CC[C@@H](CNCc1cccc(C#N)n1)Oc1cccc(F)c1 ZINC000602561120 347982293 /nfs/dbraw/zinc/98/22/93/347982293.db2.gz CVZGOUHYVRXHAY-INIZCTEOSA-N 0 3 299.349 3.040 20 30 CGEDHN C[C@@H](CNCc1cccc(C#N)n1)c1ccc(F)cc1F ZINC000602560095 347982383 /nfs/dbraw/zinc/98/23/83/347982383.db2.gz HXJGMSOILXTBFD-NSHDSACASA-N 0 3 287.313 3.125 20 30 CGEDHN N#CCC1(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000602804066 348031168 /nfs/dbraw/zinc/03/11/68/348031168.db2.gz HSXNEVOERNHOAD-QGZVFWFLSA-N 0 3 298.386 3.192 20 30 CGEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CC1(CC#N)CC1 ZINC000602807190 348032208 /nfs/dbraw/zinc/03/22/08/348032208.db2.gz QUMIKHNMXVWSFK-QWRGUYRKSA-N 0 3 260.303 3.343 20 30 CGEDHN N#CCC1(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602842724 348035782 /nfs/dbraw/zinc/03/57/82/348035782.db2.gz SFRYJFDIYUARSG-OAHLLOKOSA-N 0 3 299.374 3.468 20 30 CGEDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CC1(CC#N)CC1 ZINC000602846095 348036424 /nfs/dbraw/zinc/03/64/24/348036424.db2.gz LSIFCLKIXBUUIO-KGLIPLIRSA-N 0 3 292.423 3.122 20 30 CGEDHN C[C@@H]1CN(CCC2CCCCCC2)C[C@@H](C)N1CC#N ZINC000602849199 348036517 /nfs/dbraw/zinc/03/65/17/348036517.db2.gz JSFQDFNTPLDCQQ-HZPDHXFCSA-N 0 3 277.456 3.265 20 30 CGEDHN N#CCC1(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000602852837 348037509 /nfs/dbraw/zinc/03/75/09/348037509.db2.gz RPWBZZLTXZKDGY-QZTJIDSGSA-N 0 3 298.430 3.138 20 30 CGEDHN N#CCCCCN1CCC(Oc2ccccc2F)CC1 ZINC000602944871 348046076 /nfs/dbraw/zinc/04/60/76/348046076.db2.gz VQPXULLAFMDRCK-UHFFFAOYSA-N 0 3 276.355 3.363 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccccc3F)CC2)C1 ZINC000602947492 348046340 /nfs/dbraw/zinc/04/63/40/348046340.db2.gz PONPTDLTWAXXOQ-KBPBESRZSA-N 0 3 288.366 3.361 20 30 CGEDHN Cc1ncc([C@H](C)NCCOc2ccccc2C#N)s1 ZINC000602954408 348047093 /nfs/dbraw/zinc/04/70/93/348047093.db2.gz DAHUVRWNGIOYIB-NSHDSACASA-N 0 3 287.388 3.053 20 30 CGEDHN CN(CCCCC1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602982563 348052535 /nfs/dbraw/zinc/05/25/35/348052535.db2.gz UVWXAUHHDASDLT-CVEARBPZSA-N 0 3 264.413 3.207 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000606933020 348210249 /nfs/dbraw/zinc/21/02/49/348210249.db2.gz OKTKZCOYTVJEQI-OWCLPIDISA-N 0 3 280.456 3.453 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000606933016 348210330 /nfs/dbraw/zinc/21/03/30/348210330.db2.gz OKTKZCOYTVJEQI-JYJNAYRXSA-N 0 3 280.456 3.453 20 30 CGEDHN CCC[C@H](C#N)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000608816251 348329871 /nfs/dbraw/zinc/32/98/71/348329871.db2.gz KFOOVPOPSGTZMA-MRXNPFEDSA-N 0 3 299.418 3.093 20 30 CGEDHN C[C@@H](CNc1ncc(C#N)cc1Cl)N1CCC[C@@H](C)C1 ZINC000608885916 348333899 /nfs/dbraw/zinc/33/38/99/348333899.db2.gz GUEWHRMLKQCWLF-NEPJUHHUSA-N 0 3 292.814 3.139 20 30 CGEDHN CCN(Cc1ccc(F)cc1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000351960679 219265092 /nfs/dbraw/zinc/26/50/92/219265092.db2.gz WWEXZHDPBOWGCW-MRXNPFEDSA-N 0 3 290.382 3.477 20 30 CGEDHN CCS[C@H]1CCCCN(Cc2ccnc(C#N)c2)C1 ZINC000610992793 348415061 /nfs/dbraw/zinc/41/50/61/348415061.db2.gz JUJLLXLMGINMEZ-HNNXBMFYSA-N 0 3 275.421 3.061 20 30 CGEDHN CC(C)C[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000610994181 348416755 /nfs/dbraw/zinc/41/67/55/348416755.db2.gz PDYDJJDULASPFM-AWEZNQCLSA-N 0 3 257.381 3.211 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000610681852 348396076 /nfs/dbraw/zinc/39/60/76/348396076.db2.gz HIUZFHBZVRQXEP-KURKYZTESA-N 0 3 291.483 3.369 20 30 CGEDHN C[C@@H](N[C@H](C)c1cccc(CO)c1)c1cccc(C#N)c1 ZINC000611164892 348425822 /nfs/dbraw/zinc/42/58/22/348425822.db2.gz QLSAVNWRHOFPIS-ZIAGYGMSSA-N 0 3 280.371 3.462 20 30 CGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611388006 348443640 /nfs/dbraw/zinc/44/36/40/348443640.db2.gz JKPGBILQWCWXCR-CQSZACIVSA-N 0 3 291.354 3.160 20 30 CGEDHN C=C(CC)CN[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406733 348447593 /nfs/dbraw/zinc/44/75/93/348447593.db2.gz VXUAXOURBNVKQI-OAHLLOKOSA-N 0 3 275.392 3.483 20 30 CGEDHN C=CCN1CCC(Nc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613422972 348600023 /nfs/dbraw/zinc/60/00/23/348600023.db2.gz MNHCNVMEEQJJLE-UHFFFAOYSA-N 0 3 298.434 3.313 20 30 CGEDHN N#CCc1ccc(CN2CCOCC3(CCCC3)C2)cc1 ZINC000614222812 348659936 /nfs/dbraw/zinc/65/99/36/348659936.db2.gz GMDSZBLIMNPUHE-UHFFFAOYSA-N 0 3 284.403 3.145 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000339502159 215213601 /nfs/dbraw/zinc/21/36/01/215213601.db2.gz QNKBWLLTFWMPRR-ZSEKCTLFSA-N 0 3 298.411 3.146 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CCOC1 ZINC000615223964 348724976 /nfs/dbraw/zinc/72/49/76/348724976.db2.gz JDLBAZHHDHIHNR-ZDUSSCGKSA-N 0 3 278.783 3.070 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(OCC2CC2)CC1 ZINC000614401951 348674074 /nfs/dbraw/zinc/67/40/74/348674074.db2.gz COSQJBUTONECLR-UHFFFAOYSA-N 0 3 284.403 3.258 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCN(C2CCCCC2)CC1 ZINC000614402856 348674129 /nfs/dbraw/zinc/67/41/29/348674129.db2.gz UPXZKJCWFXSJMH-UHFFFAOYSA-N 0 3 297.446 3.317 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000614996539 348705997 /nfs/dbraw/zinc/70/59/97/348705997.db2.gz JGWJSFMAMIKWDV-MRXNPFEDSA-N 0 3 286.419 3.081 20 30 CGEDHN Cc1ccccc1CN(Cc1cc(C#N)n(C)c1)C1CC1 ZINC000616725805 348874164 /nfs/dbraw/zinc/87/41/64/348874164.db2.gz AMXPBOKFPNYDNK-UHFFFAOYSA-N 0 3 279.387 3.370 20 30 CGEDHN C[C@H](C[C@@H]1CCCO1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358558732 233153800 /nfs/dbraw/zinc/15/38/00/233153800.db2.gz DBANUXVAHCGKQL-BZPMIXESSA-N 0 3 276.355 3.306 20 30 CGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCC1(CC#N)CC1 ZINC000619535238 349257964 /nfs/dbraw/zinc/25/79/64/349257964.db2.gz CDYNYXOYLRLLQC-LBPRGKRZSA-N 0 3 274.412 3.291 20 30 CGEDHN C=CC[C@H]1CC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000625701575 350198389 /nfs/dbraw/zinc/19/83/89/350198389.db2.gz KSYWKJVCPYZTRO-AWEZNQCLSA-N 0 3 295.386 3.247 20 30 CGEDHN C=CC[C@H]1CC[N@@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000625701575 350198391 /nfs/dbraw/zinc/19/83/91/350198391.db2.gz KSYWKJVCPYZTRO-AWEZNQCLSA-N 0 3 295.386 3.247 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(CO)ccc1F ZINC000625558659 350184147 /nfs/dbraw/zinc/18/41/47/350184147.db2.gz QMQJNHDWQZOICJ-GASCZTMLSA-N 0 3 261.340 3.001 20 30 CGEDHN C=CC[C@@H]1CCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000625704113 350201130 /nfs/dbraw/zinc/20/11/30/350201130.db2.gz VQYKDQPSFGLASH-CYBMUJFWSA-N 0 3 261.340 3.297 20 30 CGEDHN Cc1cc(CN[C@@H]2CCc3c2cccc3O)ccc1C#N ZINC000336526024 213408321 /nfs/dbraw/zinc/40/83/21/213408321.db2.gz DZWWCXYJWYHDDI-QGZVFWFLSA-N 0 3 278.355 3.349 20 30 CGEDHN C=CCCC(C)(C)NCc1cnc2ccccc2n1 ZINC000628352641 350513368 /nfs/dbraw/zinc/51/33/68/350513368.db2.gz PLEZVXIQGAEUEV-UHFFFAOYSA-N 0 3 255.365 3.464 20 30 CGEDHN C=CC[C@H]1CCN(Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000628405521 350528788 /nfs/dbraw/zinc/52/87/88/350528788.db2.gz NXLZPDKXRQRXLY-ZDUSSCGKSA-N 0 3 271.364 3.376 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000628406676 350529385 /nfs/dbraw/zinc/52/93/85/350529385.db2.gz OJVGSNHCWJZSNB-GFCCVEGCSA-N 0 3 262.422 3.420 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000628543641 350573232 /nfs/dbraw/zinc/57/32/32/350573232.db2.gz BBPKVTLQJLWEDZ-HNNXBMFYSA-N 0 3 278.440 3.112 20 30 CGEDHN C#CCCCCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000271428462 191131786 /nfs/dbraw/zinc/13/17/86/191131786.db2.gz CVHHBLOWZLXZRP-UHFFFAOYSA-N 0 3 283.375 3.144 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2cc(F)ccc2o1 ZINC000634979737 351614587 /nfs/dbraw/zinc/61/45/87/351614587.db2.gz MWPAXFAGVHHHRM-BDJLRTHQSA-N 0 3 290.338 3.038 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCSc2ccccc21 ZINC000090450728 260358866 /nfs/dbraw/zinc/35/88/66/260358866.db2.gz RFPNKMCAFGJMOO-CQSZACIVSA-N 0 3 263.406 3.406 20 30 CGEDHN Cc1ccncc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000123227351 187079449 /nfs/dbraw/zinc/07/94/49/187079449.db2.gz DNCNUGOJWHXCOQ-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN C=CCN1CCC(NC(=O)C=C(CCC)CCC)CC1 ZINC000271544973 191204085 /nfs/dbraw/zinc/20/40/85/191204085.db2.gz SZSYCXCIJMWTMG-UHFFFAOYSA-N 0 3 278.440 3.280 20 30 CGEDHN CSC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000292274807 198227431 /nfs/dbraw/zinc/22/74/31/198227431.db2.gz BHWFXTQLJGVNPK-ZDUSSCGKSA-N 0 3 260.406 3.133 20 30 CGEDHN COC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000152631512 188033247 /nfs/dbraw/zinc/03/32/47/188033247.db2.gz GGCRBEIVPKUQSE-OAHLLOKOSA-N 0 3 277.795 3.050 20 30 CGEDHN Cc1nc(C)c(CN[C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000336444326 213308529 /nfs/dbraw/zinc/30/85/29/213308529.db2.gz BWTIGTLUZZDDRO-OAHLLOKOSA-N 0 3 283.400 3.409 20 30 CGEDHN C#CCN[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000157198714 188302803 /nfs/dbraw/zinc/30/28/03/188302803.db2.gz WEOWZKIYSODBMB-LLVKDONJSA-N 0 3 256.374 3.402 20 30 CGEDHN CSC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000292550994 198329430 /nfs/dbraw/zinc/32/94/30/198329430.db2.gz YOMHZJSZMNTYDE-HNNXBMFYSA-N 0 3 260.406 3.133 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H](O)c1cccc(F)c1 ZINC000271885242 191390032 /nfs/dbraw/zinc/39/00/32/191390032.db2.gz QQSMSLMSDHUSAJ-JCGVRSQUSA-N 0 3 298.361 3.470 20 30 CGEDHN N#Cc1ccc(CNCCC[C@@H]2CCCCO2)c(F)c1 ZINC000273821981 192320997 /nfs/dbraw/zinc/32/09/97/192320997.db2.gz ORXPDJUVWBVFTR-HNNXBMFYSA-N 0 3 276.355 3.136 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccnc1 ZINC000334250646 283193783 /nfs/dbraw/zinc/19/37/83/283193783.db2.gz USZUSJLIELJBPT-KRWDZBQOSA-N 0 3 263.344 3.120 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@H]1F)CC2 ZINC000414315480 283198922 /nfs/dbraw/zinc/19/89/22/283198922.db2.gz SDPPNDKZZISWQN-BZUAXINKSA-N 0 3 258.340 3.416 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000110058716 283206664 /nfs/dbraw/zinc/20/66/64/283206664.db2.gz ZZXYLPUGNHDDPA-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN N#Cc1ccc(CNCC2(c3ccccn3)CCC2)cc1F ZINC000421353578 235804542 /nfs/dbraw/zinc/80/45/42/235804542.db2.gz GJYKPXPWVJXCOC-UHFFFAOYSA-N 0 3 295.361 3.304 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccccc1C#N ZINC000124224781 138374130 /nfs/dbraw/zinc/37/41/30/138374130.db2.gz QJUUGVVLUXMEMI-PBHICJAKSA-N 0 3 272.392 3.074 20 30 CGEDHN CC#CCN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179690429 189214047 /nfs/dbraw/zinc/21/40/47/189214047.db2.gz LOQRWDBIGUBLJI-HNNXBMFYSA-N 0 3 280.371 3.335 20 30 CGEDHN CC(C)(C#N)CCN1CCC(Oc2ccccc2)CC1 ZINC000119603512 370690457 /nfs/dbraw/zinc/69/04/57/370690457.db2.gz HTPDYQTYJOQYAP-UHFFFAOYSA-N 0 3 272.392 3.470 20 30 CGEDHN Cn1cc([C@H](NCc2cccc(C#N)c2)C(C)(C)C)cn1 ZINC000342348114 216318108 /nfs/dbraw/zinc/31/81/08/216318108.db2.gz XRZGJXFKBANXLZ-INIZCTEOSA-N 0 3 282.391 3.169 20 30 CGEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)c1nccs1 ZINC000183924617 189371608 /nfs/dbraw/zinc/37/16/08/189371608.db2.gz OHNSXRSAPQOXJB-GFCCVEGCSA-N 0 3 271.389 3.250 20 30 CGEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc2n[nH]cc2c1 ZINC000353115136 219900505 /nfs/dbraw/zinc/90/05/05/219900505.db2.gz XLVZMLNEIGMCPR-JTQLQIEISA-N 0 3 282.372 3.347 20 30 CGEDHN C[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184585964 189390247 /nfs/dbraw/zinc/39/02/47/189390247.db2.gz VVCOLGVZPOGJTB-SWLSCSKDSA-N 0 3 296.374 3.277 20 30 CGEDHN C#C[C@](C)(CC)NCc1ccc(Cl)c(OC)c1 ZINC000703626444 799926674 /nfs/dbraw/zinc/92/66/74/799926674.db2.gz QZLYUVGAMBNOML-CQSZACIVSA-N 0 3 251.757 3.240 20 30 CGEDHN CCN(CC1=CCCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119875531 370717194 /nfs/dbraw/zinc/71/71/94/370717194.db2.gz KEGAUJSMGCSIRU-AWEZNQCLSA-N 0 3 270.376 3.288 20 30 CGEDHN CCCN(Cc1ccc(F)c(C#N)c1)C[C@H]1CCCCO1 ZINC000120358041 370761613 /nfs/dbraw/zinc/76/16/13/370761613.db2.gz OCUROKNDWDWPKV-MRXNPFEDSA-N 0 3 290.382 3.478 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000120215568 370748983 /nfs/dbraw/zinc/74/89/83/370748983.db2.gz XDPQLCWGBCDOEG-ZIAGYGMSSA-N 0 3 292.448 3.136 20 30 CGEDHN N#Cc1ccc(CN2CCSC3(CCC3)CC2)s1 ZINC000335640820 212356396 /nfs/dbraw/zinc/35/63/96/212356396.db2.gz AFRFRIKPWSSBJT-UHFFFAOYSA-N 0 3 278.446 3.481 20 30 CGEDHN CC(C)[C@H]1N(Cc2ccc(C#N)s2)CC12CCOCC2 ZINC000335638903 212355045 /nfs/dbraw/zinc/35/50/45/212355045.db2.gz NBBCKPFRIHAACK-OAHLLOKOSA-N 0 3 290.432 3.257 20 30 CGEDHN CC(C)[C@@H](NCc1cccc(F)c1C#N)[C@@H](CO)C(C)C ZINC000451600702 240333555 /nfs/dbraw/zinc/33/35/55/240333555.db2.gz SLXGEQKFIITPRY-DOTOQJQBSA-N 0 3 292.398 3.076 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@]3(CCSC3)C2)cc1F ZINC000451963690 240387869 /nfs/dbraw/zinc/38/78/69/240387869.db2.gz HYGZDJAXDFWWGJ-INIZCTEOSA-N 0 3 290.407 3.416 20 30 CGEDHN COc1cc(C#N)ccc1CN1[C@H](C)CCC1(C)C ZINC000452007962 240393667 /nfs/dbraw/zinc/39/36/67/240393667.db2.gz ODCDLJNEHNEQPZ-GFCCVEGCSA-N 0 3 258.365 3.330 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1OC)C1CCCC1 ZINC000120640241 370787072 /nfs/dbraw/zinc/78/70/72/370787072.db2.gz IBZSLHHAQKWATN-UHFFFAOYSA-N 0 3 258.365 3.331 20 30 CGEDHN N#CCCCN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120653887 370788418 /nfs/dbraw/zinc/78/84/18/370788418.db2.gz VOVSXZUXIZYNNN-UHFFFAOYSA-N 0 3 268.364 3.046 20 30 CGEDHN COC1(C)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000275620838 193089278 /nfs/dbraw/zinc/08/92/78/193089278.db2.gz MNPDNXKDWBJDEF-CYBMUJFWSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccccc1N1CCCC1 ZINC000121378089 370855723 /nfs/dbraw/zinc/85/57/23/370855723.db2.gz FQNSWVHDUFXHEM-KRWDZBQOSA-N 0 3 288.435 3.046 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1ccc(C#N)o1 ZINC000459762659 242216726 /nfs/dbraw/zinc/21/67/26/242216726.db2.gz UCQGRVJDKYSWTG-GFCCVEGCSA-N 0 3 272.323 3.353 20 30 CGEDHN C[C@H]1[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCCN1C ZINC000463497108 242399731 /nfs/dbraw/zinc/39/97/31/242399731.db2.gz TWLPLFOIMCTXAP-HZMBPMFUSA-N 0 3 297.324 3.472 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)c(F)c1 ZINC000337286077 376192240 /nfs/dbraw/zinc/19/22/40/376192240.db2.gz KJFUFDMDVHVVDK-ZIAGYGMSSA-N 0 3 298.308 3.337 20 30 CGEDHN Cc1ccn2c(CN[C@@H](C)c3ccc(C#N)cc3)cnc2c1 ZINC000343194743 216686961 /nfs/dbraw/zinc/68/69/61/216686961.db2.gz XSLKUEQHENGMCB-AWEZNQCLSA-N 0 3 290.370 3.365 20 30 CGEDHN CC[C@H](NCc1cccc(C(=O)OC)c1C#N)C(C)(C)C ZINC000538392316 288570214 /nfs/dbraw/zinc/57/02/14/288570214.db2.gz QLTNHIHBHCJGFD-HNNXBMFYSA-N 0 3 288.391 3.259 20 30 CGEDHN C=C[C@](C)(CC)C(=O)Nc1ccccc1CCN(C)C ZINC000275982898 193179482 /nfs/dbraw/zinc/17/94/82/193179482.db2.gz LSJPWOORHSVXFA-QGZVFWFLSA-N 0 3 274.408 3.332 20 30 CGEDHN C=CCC[C@@H](O)CN1CCc2sccc2[C@@H]1CC ZINC000122829702 370907574 /nfs/dbraw/zinc/90/75/74/370907574.db2.gz FQNLTCNOXGNFDZ-OCCSQVGLSA-N 0 3 265.422 3.384 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000123813092 370915671 /nfs/dbraw/zinc/91/56/71/370915671.db2.gz UPGJQDLHLJISAL-FZMZJTMJSA-N 0 3 280.799 3.071 20 30 CGEDHN CN(CCOc1cccc(C#N)c1)Cc1cccs1 ZINC000035717391 369004785 /nfs/dbraw/zinc/00/47/85/369004785.db2.gz MPJXRSZTBBNNGW-UHFFFAOYSA-N 0 3 272.373 3.131 20 30 CGEDHN N#Cc1cccc(CNCc2c[nH]nc2-c2cccs2)c1 ZINC000037501683 369087156 /nfs/dbraw/zinc/08/71/56/369087156.db2.gz GAYFXISLJRNTAX-UHFFFAOYSA-N 0 3 294.383 3.300 20 30 CGEDHN C[C@@H](CCCC(F)(F)F)NCc1ccc(C#N)o1 ZINC000494843487 244323612 /nfs/dbraw/zinc/32/36/12/244323612.db2.gz BUBBMKOOBISKIU-VIFPVBQESA-N 0 3 260.259 3.362 20 30 CGEDHN N#CCCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000049579364 369410763 /nfs/dbraw/zinc/41/07/63/369410763.db2.gz ABOGPTCNMWSNIZ-UHFFFAOYSA-N 0 3 277.799 3.156 20 30 CGEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2C2CCCC2)c1 ZINC000055928116 369523593 /nfs/dbraw/zinc/52/35/93/369523593.db2.gz ZYXDKLUMKRUIKU-QGZVFWFLSA-N 0 3 297.402 3.151 20 30 CGEDHN C=CCCN(C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000276358115 193298799 /nfs/dbraw/zinc/29/87/99/193298799.db2.gz FLZPDZNLKOPLIE-UHFFFAOYSA-N 0 3 271.360 3.418 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OCC(C)C)C2)cc1 ZINC000537725200 376197934 /nfs/dbraw/zinc/19/79/34/376197934.db2.gz SAQSFSGGDONGQV-GOSISDBHSA-N 0 3 289.419 3.498 20 30 CGEDHN CCOC(CCN[C@@H](C)c1ccc(C#N)c(F)c1)OCC ZINC000276475415 193346931 /nfs/dbraw/zinc/34/69/31/193346931.db2.gz FGASACBWARZBRL-LBPRGKRZSA-N 0 3 294.370 3.137 20 30 CGEDHN CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1c(C)noc1C ZINC000248937300 261218956 /nfs/dbraw/zinc/21/89/56/261218956.db2.gz YLGHMOPHDOVXDQ-RDBSUJKOSA-N 0 3 261.369 3.415 20 30 CGEDHN C=CCCCN(C)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000076801627 369942608 /nfs/dbraw/zinc/94/26/08/369942608.db2.gz ZBESUVHLRYAQLO-AWEZNQCLSA-N 0 3 293.411 3.378 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000076801702 369943462 /nfs/dbraw/zinc/94/34/62/369943462.db2.gz AOPJFSNIMRCPDT-CYBMUJFWSA-N 0 3 294.826 3.243 20 30 CGEDHN COc1ccc(CN(C)CCc2ccccc2)cc1C#N ZINC000088194874 370031655 /nfs/dbraw/zinc/03/16/55/370031655.db2.gz ASBUYAWCAZFWPH-UHFFFAOYSA-N 0 3 280.371 3.241 20 30 CGEDHN C[C@H]1C[C@@H](Nc2cc(C#N)c3ccccc3n2)CCN1C ZINC000090795401 370069758 /nfs/dbraw/zinc/06/97/58/370069758.db2.gz CFDIMVCUVOGHPL-JSGCOSHPSA-N 0 3 280.375 3.001 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccc(CO)o1 ZINC000092505673 370098591 /nfs/dbraw/zinc/09/85/91/370098591.db2.gz DQCBPXQYTYKDRT-UHFFFAOYSA-N 0 3 271.360 3.003 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](n3cccn3)C2)cc1 ZINC000092966993 370105810 /nfs/dbraw/zinc/10/58/10/370105810.db2.gz FLVQGHFNMCQSIS-KRWDZBQOSA-N 0 3 297.402 3.285 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000114331236 370497902 /nfs/dbraw/zinc/49/79/02/370497902.db2.gz NCLLMGHMLIAPDV-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN N#CCCCCN1CCSC[C@@H]1c1ccccc1 ZINC000115559774 370534450 /nfs/dbraw/zinc/53/44/50/370534450.db2.gz SQOXJNKUEAPGLM-OAHLLOKOSA-N 0 3 260.406 3.470 20 30 CGEDHN CCOC[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118399942 370613834 /nfs/dbraw/zinc/61/38/34/370613834.db2.gz FYGOQUOYCMPRCM-GOEBONIOSA-N 0 3 272.392 3.368 20 30 CGEDHN N#Cc1ccc(CNCC2([C@H](O)c3ccccc3)CC2)s1 ZINC000129828213 371002305 /nfs/dbraw/zinc/00/23/05/371002305.db2.gz JAPRBJRWSIKHLQ-MRXNPFEDSA-N 0 3 298.411 3.223 20 30 CGEDHN C=CCOc1ccccc1CN(C[C@H]1CCOC1)C1CC1 ZINC000129968914 371008491 /nfs/dbraw/zinc/00/84/91/371008491.db2.gz OZCAGWOWOFUIJE-OAHLLOKOSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCN(Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000132254876 371160708 /nfs/dbraw/zinc/16/07/08/371160708.db2.gz JDJZLOYOEVITMA-UHFFFAOYSA-N 0 3 263.381 3.490 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000132660517 371192006 /nfs/dbraw/zinc/19/20/06/371192006.db2.gz GUIDRUGRGVCACY-KFWWJZLASA-N 0 3 263.381 3.380 20 30 CGEDHN C=CCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000133173829 371233506 /nfs/dbraw/zinc/23/35/06/371233506.db2.gz VCYPFEQYVIKEKG-CQSZACIVSA-N 0 3 261.340 3.297 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(C)cc2)sc1C ZINC000155657485 371939024 /nfs/dbraw/zinc/93/90/24/371939024.db2.gz DGHOZOHSYDJTNT-CYBMUJFWSA-N 0 3 285.372 3.314 20 30 CGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000290992446 372089746 /nfs/dbraw/zinc/08/97/46/372089746.db2.gz ABBBVHMLAQIYHF-INIZCTEOSA-N 0 3 252.361 3.323 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000424771370 372099315 /nfs/dbraw/zinc/09/93/15/372099315.db2.gz CNJKQEREQYIAEZ-GOEBONIOSA-N 0 3 288.435 3.396 20 30 CGEDHN C=CCOCCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425545410 372132325 /nfs/dbraw/zinc/13/23/25/372132325.db2.gz FPMLKDMMHVSIFR-HZPDHXFCSA-N 0 3 295.810 3.040 20 30 CGEDHN CC#CCCCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425610314 372136964 /nfs/dbraw/zinc/13/69/64/372136964.db2.gz RARGNAPOXZQVTQ-KRWDZBQOSA-N 0 3 298.430 3.090 20 30 CGEDHN C[C@@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000429580208 372375569 /nfs/dbraw/zinc/37/55/69/372375569.db2.gz TVTMAGWZNNIHPQ-WBVHZDCISA-N 0 3 299.418 3.054 20 30 CGEDHN N#CCC1(CNCc2ccc(OCC(F)F)cc2)CC1 ZINC000430037379 372381190 /nfs/dbraw/zinc/38/11/90/372381190.db2.gz HOCCHSVEJCHMAC-UHFFFAOYSA-N 0 3 280.318 3.114 20 30 CGEDHN COc1ccc(CNCC2(CC#N)CC2)cc1Cl ZINC000430069870 372383247 /nfs/dbraw/zinc/38/32/47/372383247.db2.gz BKUGZQOMESLZNU-UHFFFAOYSA-N 0 3 264.756 3.132 20 30 CGEDHN N#CCC1(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000430749642 372396674 /nfs/dbraw/zinc/39/66/74/372396674.db2.gz KVXMXCYSEUPUQG-RDJZCZTQSA-N 0 3 284.403 3.438 20 30 CGEDHN C=CCC(C)(C)C[NH2+][C@@H](c1cccs1)c1nnc[n-]1 ZINC000293739900 372466701 /nfs/dbraw/zinc/46/67/01/372466701.db2.gz PCDMRSOFOOBEKX-LBPRGKRZSA-N 0 3 276.409 3.148 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000293739900 372466709 /nfs/dbraw/zinc/46/67/09/372466709.db2.gz PCDMRSOFOOBEKX-LBPRGKRZSA-N 0 3 276.409 3.148 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(CC)C1CCCCC1 ZINC000052873360 541876585 /nfs/dbraw/zinc/87/65/85/541876585.db2.gz XEOVHTKSGGSQMT-UHFFFAOYSA-N 0 3 266.429 3.066 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCC1(C2CC2)CC1 ZINC000433385435 372600424 /nfs/dbraw/zinc/60/04/24/372600424.db2.gz YBIKFEYMIDNVQR-OAHLLOKOSA-N 0 3 282.387 3.065 20 30 CGEDHN C[C@@H]1C[C@H](C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433118870 372581546 /nfs/dbraw/zinc/58/15/46/372581546.db2.gz ZRYMNQPARARGPJ-UXLLHSPISA-N 0 3 284.403 3.263 20 30 CGEDHN C=C(CNCc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433313040 372587429 /nfs/dbraw/zinc/58/74/29/372587429.db2.gz OPBWTLMNXBUHAM-UHFFFAOYSA-N 0 3 279.343 3.473 20 30 CGEDHN CN(CC1CCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433340426 372596826 /nfs/dbraw/zinc/59/68/26/372596826.db2.gz BOBDICKVWQSFKJ-MRXNPFEDSA-N 0 3 270.376 3.017 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000433361330 372598227 /nfs/dbraw/zinc/59/82/27/372598227.db2.gz HENWRVMPCMRWKH-BZSNNMDCSA-N 0 3 296.414 3.408 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000294719035 372668413 /nfs/dbraw/zinc/66/84/13/372668413.db2.gz VMZJXCKMCOLORS-HNNXBMFYSA-N 0 3 274.408 3.140 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](SC)C2)c1 ZINC000294941974 372679661 /nfs/dbraw/zinc/67/96/61/372679661.db2.gz CHJQESQRFSXIPB-HNNXBMFYSA-N 0 3 263.406 3.189 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccccc2)[C@H]1C ZINC000434898073 372715339 /nfs/dbraw/zinc/71/53/39/372715339.db2.gz AXLRFYZQGFOFNU-AEFFLSMTSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc(-c2ccccc2)c[nH]1 ZINC000435736724 372799319 /nfs/dbraw/zinc/79/93/19/372799319.db2.gz YMYNDAPKIVWIRQ-MAUKXSAKSA-N 0 3 297.402 3.148 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000171679867 372806711 /nfs/dbraw/zinc/80/67/11/372806711.db2.gz SGOUIFDYMVVTRW-UHFFFAOYSA-N 0 3 293.798 3.112 20 30 CGEDHN N#CCc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000439282185 372974950 /nfs/dbraw/zinc/97/49/50/372974950.db2.gz HCJFWLOQDPLZSL-SFHVURJKSA-N 0 3 284.403 3.144 20 30 CGEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000441632090 373031014 /nfs/dbraw/zinc/03/10/14/373031014.db2.gz GLVCYOFUAGQFFX-MRXNPFEDSA-N 0 3 299.418 3.397 20 30 CGEDHN CCN1CCC(Nc2nc3ccccc3c(C)c2C#N)CC1 ZINC000296223724 373056901 /nfs/dbraw/zinc/05/69/01/373056901.db2.gz DMYSWNIZANOTIN-UHFFFAOYSA-N 0 3 294.402 3.311 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000442788221 373082376 /nfs/dbraw/zinc/08/23/76/373082376.db2.gz WKMQVPNBMIDCSY-WCQYABFASA-N 0 3 298.308 3.366 20 30 CGEDHN CCN(CC)[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000442720430 373069667 /nfs/dbraw/zinc/06/96/67/373069667.db2.gz RKQIMSQDLHAUAX-CWRNSKLLSA-N 0 3 291.464 3.413 20 30 CGEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC(C)C ZINC000173520478 373151960 /nfs/dbraw/zinc/15/19/60/373151960.db2.gz KCYDJDFRZORZEN-UHFFFAOYSA-N 0 3 284.363 3.086 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OC)C[C@@H]2C)cc1 ZINC000443063161 373148329 /nfs/dbraw/zinc/14/83/29/373148329.db2.gz CSPOSGUAHRLHCW-WMLDXEAASA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OC)C[C@H]2C)cc1 ZINC000443063160 373148917 /nfs/dbraw/zinc/14/89/17/373148917.db2.gz CSPOSGUAHRLHCW-RHSMWYFYSA-N 0 3 275.392 3.251 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000444530716 373198664 /nfs/dbraw/zinc/19/86/64/373198664.db2.gz CKKWBVWKKBWIPW-JTQLQIEISA-N 0 3 296.292 3.013 20 30 CGEDHN C=CC[C@@H]1N(CC(=O)NC2CCCC2)CCCC1(C)C ZINC000444776978 373271905 /nfs/dbraw/zinc/27/19/05/373271905.db2.gz QTOGQJBEOKEVCL-HNNXBMFYSA-N 0 3 278.440 3.112 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCc3ccccc32)o1 ZINC000174254027 373277153 /nfs/dbraw/zinc/27/71/53/373277153.db2.gz FGCNHHCQWJCHNX-CQSZACIVSA-N 0 3 266.344 3.361 20 30 CGEDHN CCCCn1cc(CN[C@@H]2CCC[C@@H](C#N)C2)c(C)n1 ZINC000446807281 373364109 /nfs/dbraw/zinc/36/41/09/373364109.db2.gz YRABLMHTZJSOKD-GDBMZVCRSA-N 0 3 274.412 3.164 20 30 CGEDHN C=CCCCC[C@H](C)NCc1nnc2n1CCCCC2 ZINC000449058637 373658663 /nfs/dbraw/zinc/65/86/63/373658663.db2.gz KVLNLAMNQOVZPK-AWEZNQCLSA-N 0 3 276.428 3.229 20 30 CGEDHN C[C@H](CNc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000301100714 373661295 /nfs/dbraw/zinc/66/12/95/373661295.db2.gz PWQUPANAEFYWBE-OAHLLOKOSA-N 0 3 291.398 3.417 20 30 CGEDHN C=CCN(CCOC)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449283106 373677049 /nfs/dbraw/zinc/67/70/49/373677049.db2.gz JZGXCIMTXNXQBM-GFCCVEGCSA-N 0 3 269.335 3.203 20 30 CGEDHN C=CCC[C@H](CCC)[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000449406488 373687223 /nfs/dbraw/zinc/68/72/23/373687223.db2.gz XRITUFQLFNQCSE-LBPRGKRZSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCC[C@H](CCC)NCc1nnc(C(C)C)[nH]1 ZINC000449406488 373687227 /nfs/dbraw/zinc/68/72/27/373687227.db2.gz XRITUFQLFNQCSE-LBPRGKRZSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCc1cc(CN2CC[C@H]2C2CC2)cc(OC)c1O ZINC000449427840 373703909 /nfs/dbraw/zinc/70/39/09/373703909.db2.gz PYOGEWLKYWAVCV-HNNXBMFYSA-N 0 3 273.376 3.114 20 30 CGEDHN Cc1cccc2c1OC[C@H](NCc1ccc(C#N)s1)C2 ZINC000289543305 197397475 /nfs/dbraw/zinc/39/74/75/197397475.db2.gz JVAMAPSVGASRRI-CYBMUJFWSA-N 0 3 284.384 3.022 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449643353 373838329 /nfs/dbraw/zinc/83/83/29/373838329.db2.gz AMLYHIIZQVMVFS-KKUMJFAQSA-N 0 3 286.419 3.297 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000449761551 373890695 /nfs/dbraw/zinc/89/06/95/373890695.db2.gz YOUZFNIMURSKOF-HZPDHXFCSA-N 0 3 276.355 3.135 20 30 CGEDHN N#CC(C(=O)c1cnc2ccc(F)cc2c1)c1ccccn1 ZINC000179609834 373896760 /nfs/dbraw/zinc/89/67/60/373896760.db2.gz MNSZTGRTPYPMNQ-AWEZNQCLSA-N 0 3 291.285 3.259 20 30 CGEDHN CN(CCN(C)C1CC1)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000302245409 373842919 /nfs/dbraw/zinc/84/29/19/373842919.db2.gz KNFCIKAPRVSZJU-UHFFFAOYSA-N 0 3 297.324 3.107 20 30 CGEDHN C=C(CC)CNCc1cccc(OCCCOC)c1 ZINC000449736643 373863661 /nfs/dbraw/zinc/86/36/61/373863661.db2.gz WXZPNXFDCJOJJC-UHFFFAOYSA-N 0 3 263.381 3.158 20 30 CGEDHN COc1cccc(F)c1[C@@H](C)NCCCSCC#N ZINC000179939323 373942387 /nfs/dbraw/zinc/94/23/87/373942387.db2.gz KLWSPRFCJUQUTH-LLVKDONJSA-N 0 3 282.384 3.132 20 30 CGEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC000180251992 373982335 /nfs/dbraw/zinc/98/23/35/373982335.db2.gz UAGJZUYTNHWFHN-HIFRSBDPSA-N 0 3 278.421 3.255 20 30 CGEDHN C[C@H](NC[C@@]1(C)CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000305807926 374114470 /nfs/dbraw/zinc/11/44/70/374114470.db2.gz HKSUTBRDUVINPV-AFAVFJNCSA-N 0 3 290.382 3.289 20 30 CGEDHN CC(C)C[C@H](CCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305838379 374119234 /nfs/dbraw/zinc/11/92/34/374119234.db2.gz XWKRTVMTACQWSP-ZFWWWQNUSA-N 0 3 292.398 3.393 20 30 CGEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000181214372 374095701 /nfs/dbraw/zinc/09/57/01/374095701.db2.gz PRDPLQIXPJRMQX-GXTWGEPZSA-N 0 3 297.320 3.072 20 30 CGEDHN Cc1csc([C@H](NCCCSCC#N)C2CC2)n1 ZINC000181591389 374144614 /nfs/dbraw/zinc/14/46/14/374144614.db2.gz UFNGMMSBZAXOEC-GFCCVEGCSA-N 0 3 281.450 3.139 20 30 CGEDHN C=CCNC(C)(C)COc1ncccc1C(F)(F)F ZINC000181651902 374150049 /nfs/dbraw/zinc/15/00/49/374150049.db2.gz ZJIVYBCPAHTFRI-UHFFFAOYSA-N 0 3 274.286 3.033 20 30 CGEDHN C=CCCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000076181196 541910750 /nfs/dbraw/zinc/91/07/50/541910750.db2.gz ALBZABMYHZBFAR-YUMQZZPRSA-N 0 3 261.209 3.235 20 30 CGEDHN CC[C@H](C)N1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000316225429 374331878 /nfs/dbraw/zinc/33/18/78/374331878.db2.gz FCVZWWROHYPHTO-AWEZNQCLSA-N 0 3 294.402 3.027 20 30 CGEDHN C[S@@](=O)C[C@@H](NCCCC(C)(C)C#N)c1ccccc1 ZINC000183107522 374373247 /nfs/dbraw/zinc/37/32/47/374373247.db2.gz KOPBXWVEJWPYBI-FOIQADDNSA-N 0 3 292.448 3.026 20 30 CGEDHN C=CCC[C@H](CO)NCc1c(OC)ccc2ccccc21 ZINC000320216746 374348743 /nfs/dbraw/zinc/34/87/43/374348743.db2.gz GEKFJKNGLQFYNY-OAHLLOKOSA-N 0 3 285.387 3.265 20 30 CGEDHN C=CCC[C@@H](CO)NCc1nc(-c2ccccc2)cs1 ZINC000320238381 374348876 /nfs/dbraw/zinc/34/88/76/374348876.db2.gz GDQXIAYUVMWJIM-AWEZNQCLSA-N 0 3 288.416 3.227 20 30 CGEDHN CC[C@](C)(CN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000453292593 374396150 /nfs/dbraw/zinc/39/61/50/374396150.db2.gz CQBCDLVQXRAEMK-XHDPSFHLSA-N 0 3 264.344 3.163 20 30 CGEDHN Cc1nc2ccc(NC(=O)C34CCCN3CCC4)cc2o1 ZINC000328841300 374387824 /nfs/dbraw/zinc/38/78/24/374387824.db2.gz OQLAFXZNQQQNPO-UHFFFAOYSA-N 0 3 285.347 3.353 20 30 CGEDHN N#Cc1csc(CNCCCNc2cccc(F)c2)c1 ZINC000184287696 374511414 /nfs/dbraw/zinc/51/14/14/374511414.db2.gz BJVMVNWDFKPJPI-UHFFFAOYSA-N 0 3 289.379 3.351 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000185190593 374605681 /nfs/dbraw/zinc/60/56/81/374605681.db2.gz RDBSVPXEUGSTQQ-IRXDYDNUSA-N 0 3 290.382 3.381 20 30 CGEDHN Cc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)n(C)n1 ZINC000334235796 206233414 /nfs/dbraw/zinc/23/34/14/206233414.db2.gz HFKVRIFENFKXNS-GOSISDBHSA-N 0 3 294.402 3.158 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185830912 374747347 /nfs/dbraw/zinc/74/73/47/374747347.db2.gz OGHOEJALXKFJGJ-GDBMZVCRSA-N 0 3 270.376 3.423 20 30 CGEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1OC ZINC000185656434 374706303 /nfs/dbraw/zinc/70/63/03/374706303.db2.gz LRLFIAWXXITMRB-WFASDCNBSA-N 0 3 258.365 3.187 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000185752556 374729545 /nfs/dbraw/zinc/72/95/45/374729545.db2.gz JOVBJMINIJTDKI-YTQUADARSA-N 0 3 297.446 3.495 20 30 CGEDHN CCC[C@H](CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000486065148 375194444 /nfs/dbraw/zinc/19/44/44/375194444.db2.gz SCJUUKLVGDVMHN-CVEARBPZSA-N 0 3 272.392 3.454 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(C(F)F)cc1 ZINC000191083124 375573038 /nfs/dbraw/zinc/57/30/38/375573038.db2.gz DOBXXJAJMPZLIO-UHFFFAOYSA-N 0 3 255.308 3.259 20 30 CGEDHN Cn1cc(CN2CCC[C@@]3(CC=CCC3)C2)cc1C#N ZINC000191368248 375619108 /nfs/dbraw/zinc/61/91/08/375619108.db2.gz GKYUFVQRPSDOLR-KRWDZBQOSA-N 0 3 269.392 3.219 20 30 CGEDHN CCC[C@@]1(C)CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191379901 375619879 /nfs/dbraw/zinc/61/98/79/375619879.db2.gz XLUAFMKLTKXERS-INIZCTEOSA-N 0 3 259.397 3.299 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCC2)cc1F ZINC000191989879 375687763 /nfs/dbraw/zinc/68/77/63/375687763.db2.gz PUXJHXACFYCPGQ-MRXNPFEDSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510552485 375786709 /nfs/dbraw/zinc/78/67/09/375786709.db2.gz VOQAPYSYQXMBGG-YJBOKZPZSA-N 0 3 288.435 3.459 20 30 CGEDHN C[C@H](CCc1ccc(F)cc1F)NC[C@H](C)C#N ZINC000515344947 375812941 /nfs/dbraw/zinc/81/29/41/375812941.db2.gz XQLMHHBGJWAVQI-GHMZBOCLSA-N 0 3 252.308 3.035 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529719768 375934389 /nfs/dbraw/zinc/93/43/89/375934389.db2.gz QCYLDXPFRRSEEU-WBVHZDCISA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC[C@@H](O)CN1CCc2cccc(F)c2[C@@H]1C ZINC000532378401 375950729 /nfs/dbraw/zinc/95/07/29/375950729.db2.gz VGKKSKSIWHUZCJ-GXTWGEPZSA-N 0 3 263.356 3.072 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2ccc(C)c(C)c2)C1=O ZINC000337145228 376100227 /nfs/dbraw/zinc/10/02/27/376100227.db2.gz XGSFCUQWOCXQSO-ROUUACIJSA-N 0 3 298.430 3.227 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000538166438 376222479 /nfs/dbraw/zinc/22/24/79/376222479.db2.gz YSWIPIMNCOMLQC-AWEZNQCLSA-N 0 3 275.392 3.404 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1 ZINC000337939966 376248878 /nfs/dbraw/zinc/24/88/78/376248878.db2.gz AQWQFOVITSYGPA-KRWDZBQOSA-N 0 3 297.402 3.152 20 30 CGEDHN C=CCOc1cccc(CN(C)CC(C)(C)OC)c1 ZINC000538827885 376274572 /nfs/dbraw/zinc/27/45/72/376274572.db2.gz YHEWEXLOKYWVRQ-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccccc1C#N ZINC000233992550 376607003 /nfs/dbraw/zinc/60/70/03/376607003.db2.gz SNICUPFRMXCKAQ-LSDHHAIUSA-N 0 3 260.406 3.322 20 30 CGEDHN CC[C@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000234074750 376610596 /nfs/dbraw/zinc/61/05/96/376610596.db2.gz MOVPZOCISGXPRO-HNNXBMFYSA-N 0 3 258.365 3.331 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cc3cccc(C)c3o2)CC1 ZINC000264454950 190111069 /nfs/dbraw/zinc/11/10/69/190111069.db2.gz DOJQIUSUKPPJBB-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN C=C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000264460066 190111334 /nfs/dbraw/zinc/11/13/34/190111334.db2.gz GMQOEOCVPCSGIT-UHFFFAOYSA-N 0 3 298.430 3.077 20 30 CGEDHN C[C@@H](NC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1F ZINC000543762472 376676078 /nfs/dbraw/zinc/67/60/78/376676078.db2.gz ZGBBMPWLDDPGCM-IJLUTSLNSA-N 0 3 276.355 3.304 20 30 CGEDHN OC[C@@H](NCC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000543840353 376683306 /nfs/dbraw/zinc/68/33/06/376683306.db2.gz RXPFKJRVNBRTJO-QGZVFWFLSA-N 0 3 291.822 3.222 20 30 CGEDHN CC[C@@H]1C[C@@]1(NCCOCCC#N)c1cccc(C)c1 ZINC000339157707 376717250 /nfs/dbraw/zinc/71/72/50/376717250.db2.gz CKJKGIMCVNCJIB-WBVHZDCISA-N 0 3 272.392 3.140 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000237246193 376737349 /nfs/dbraw/zinc/73/73/49/376737349.db2.gz BJVIFQWJZYLDOG-CYBMUJFWSA-N 0 3 261.365 3.314 20 30 CGEDHN CC#CCN(Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000554860778 376853567 /nfs/dbraw/zinc/85/35/67/376853567.db2.gz OMCUFGYHZNJQQZ-CQSZACIVSA-N 0 3 287.403 3.328 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)CCc1c(F)cccc1F ZINC000555321049 376856103 /nfs/dbraw/zinc/85/61/03/376856103.db2.gz MBQAHBBNRMVAOA-WDEREUQCSA-N 0 3 252.308 3.035 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C#N)s2)c1 ZINC000340332873 377010744 /nfs/dbraw/zinc/01/07/44/377010744.db2.gz IIEBDENVMORCDO-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C#N)cc1 ZINC000340443136 377060786 /nfs/dbraw/zinc/06/07/86/377060786.db2.gz DHAYMCRWBPJGAM-BLLLJJGKSA-N 0 3 281.359 3.461 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)cc1F ZINC000248883500 377421002 /nfs/dbraw/zinc/42/10/02/377421002.db2.gz QCVPMGNPARYFOU-CZUORRHYSA-N 0 3 258.340 3.462 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCNc1nc2c(cc1C#N)CCC2 ZINC000341111339 377401525 /nfs/dbraw/zinc/40/15/25/377401525.db2.gz WRSXNPDAUVBMDN-OKILXGFUSA-N 0 3 298.434 3.117 20 30 CGEDHN CCCC[C@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000567087056 377504811 /nfs/dbraw/zinc/50/48/11/377504811.db2.gz CPFMDLMKWALAEI-HNNXBMFYSA-N 0 3 293.455 3.182 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCS[C@@H](C)CC1 ZINC000249112859 377464871 /nfs/dbraw/zinc/46/48/71/377464871.db2.gz WAERLXNZCXFCJG-QWHCGFSZSA-N 0 3 260.406 3.447 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1cccc(C#N)c1 ZINC000290284400 249072146 /nfs/dbraw/zinc/07/21/46/249072146.db2.gz MKMLSOFOJWVYOB-DEYYWGMASA-N 0 3 280.371 3.331 20 30 CGEDHN Cc1noc([C@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000265475185 190185091 /nfs/dbraw/zinc/18/50/91/190185091.db2.gz JYNWDHUMLHGUEE-LRDDRELGSA-N 0 3 296.374 3.190 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccccc1Br ZINC000181572235 542219288 /nfs/dbraw/zinc/21/92/88/542219288.db2.gz OVSIXEFCXNMFLU-RYUDHWBXSA-N 0 3 298.224 3.427 20 30 CGEDHN C=CCCN(C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000342735229 377764859 /nfs/dbraw/zinc/76/48/59/377764859.db2.gz PBSPNHNSKFITSA-UHFFFAOYSA-N 0 3 274.286 3.031 20 30 CGEDHN CCN1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000268212086 378050483 /nfs/dbraw/zinc/05/04/83/378050483.db2.gz QTHBTSSOGCPOED-UHFFFAOYSA-N 0 3 297.324 3.109 20 30 CGEDHN C=CCN1CC[C@H](N(C)CCC2CCCCCC2)C1=O ZINC000578263362 378052755 /nfs/dbraw/zinc/05/27/55/378052755.db2.gz AUGIBKNRTQNMLU-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCC(Nc2cc(Cl)ccc2C#N)CC1 ZINC000266441102 378021868 /nfs/dbraw/zinc/02/18/68/378021868.db2.gz WDAKGXJBBFOYPS-UHFFFAOYSA-N 0 3 275.783 3.274 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](C3CC3)C2)c(OC(F)F)c1 ZINC000344016831 378153789 /nfs/dbraw/zinc/15/37/89/378153789.db2.gz NKUHUHUTMMXVRF-ZDUSSCGKSA-N 0 3 292.329 3.392 20 30 CGEDHN Cc1ccc2c(CCNCc3ccc(C#N)o3)c[nH]c2c1 ZINC000343909198 378131562 /nfs/dbraw/zinc/13/15/62/378131562.db2.gz KFEIFMANSPMMST-UHFFFAOYSA-N 0 3 279.343 3.273 20 30 CGEDHN COc1cc(C)ccc1CN1CCC(CC#N)CC1 ZINC000579197101 378139331 /nfs/dbraw/zinc/13/93/31/378139331.db2.gz XBORMURSLNLLPU-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)[C@H]1CCC[C@H]1C ZINC000579727336 378188210 /nfs/dbraw/zinc/18/82/10/378188210.db2.gz GLJUENBOLHDYCG-DOMZBBRYSA-N 0 3 278.421 3.257 20 30 CGEDHN COc1ccc(CCCNCc2ccc(C#N)cc2F)cc1 ZINC000269415623 378219101 /nfs/dbraw/zinc/21/91/01/378219101.db2.gz KKVJYDURTJCWPG-UHFFFAOYSA-N 0 3 298.361 3.428 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000344026186 378156247 /nfs/dbraw/zinc/15/62/47/378156247.db2.gz BKSJRAQZIUFFFV-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN N#Cc1cccc(CNCC2([C@H](O)c3ccccc3)CC2)c1 ZINC000269759401 378264908 /nfs/dbraw/zinc/26/49/08/378264908.db2.gz AILLLEITHAWMDZ-GOSISDBHSA-N 0 3 292.382 3.162 20 30 CGEDHN C[C@@H](C1CC1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000583477712 378325018 /nfs/dbraw/zinc/32/50/18/378325018.db2.gz HTGVZEFDPZGURB-XJKSGUPXSA-N 0 3 270.376 3.016 20 30 CGEDHN CC[C@@H](NCCOCC1CCC1)c1ccc(C#N)cc1 ZINC000582221103 378294953 /nfs/dbraw/zinc/29/49/53/378294953.db2.gz MPBHKDZQDLYNLE-QGZVFWFLSA-N 0 3 272.392 3.416 20 30 CGEDHN CCCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000270779010 378399512 /nfs/dbraw/zinc/39/95/12/378399512.db2.gz OCCGZCDCZCIAHP-OAHLLOKOSA-N 0 3 287.407 3.054 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(O)c1 ZINC000618742255 378410598 /nfs/dbraw/zinc/41/05/98/378410598.db2.gz VBVLEFPUSVTTIQ-KRWDZBQOSA-N 0 3 264.328 3.041 20 30 CGEDHN C#CCCCN(CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000271062354 378446004 /nfs/dbraw/zinc/44/60/04/378446004.db2.gz STMIMKRMLLRXRZ-OAHLLOKOSA-N 0 3 272.392 3.139 20 30 CGEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000346128842 378472016 /nfs/dbraw/zinc/47/20/16/378472016.db2.gz KEMDDWVZKRYXKI-UVBJJODRSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@H](N[C@H](CO)CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271985170 378538229 /nfs/dbraw/zinc/53/82/29/378538229.db2.gz XZZRJIUBVYARPX-FZMZJTMJSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@H](NCCN1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000271958774 378530750 /nfs/dbraw/zinc/53/07/50/378530750.db2.gz TYMBLOQELPMRAR-AWEZNQCLSA-N 0 3 289.398 3.080 20 30 CGEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@H]1CCCO1 ZINC000346628035 378651544 /nfs/dbraw/zinc/65/15/44/378651544.db2.gz IQZVEWJTYRBBEQ-CWRNSKLLSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCOCCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000348039320 378761393 /nfs/dbraw/zinc/76/13/93/378761393.db2.gz CSCSEJPBLZEHMF-UHFFFAOYSA-N 0 3 293.382 3.262 20 30 CGEDHN C=CCOCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000348034684 378760023 /nfs/dbraw/zinc/76/00/23/378760023.db2.gz NPFIFWLZUWSBDY-SFHVURJKSA-N 0 3 282.387 3.353 20 30 CGEDHN C=C(C)CCN(C)Cc1cc(Br)cn1C ZINC000274765702 378891049 /nfs/dbraw/zinc/89/10/49/378891049.db2.gz GDCBUKCOIPQRPC-UHFFFAOYSA-N 0 3 271.202 3.186 20 30 CGEDHN CC[C@H](C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348298437 378892850 /nfs/dbraw/zinc/89/28/50/378892850.db2.gz QFURKULINDVKCG-ZQIUZPCESA-N 0 3 297.402 3.181 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000274977754 378924840 /nfs/dbraw/zinc/92/48/40/378924840.db2.gz BBFRFKOWZQIPCI-CJNGLKHVSA-N 0 3 280.375 3.222 20 30 CGEDHN C[C@H](N[C@H]1C[C@H]1C(F)F)c1ccc(C#N)c(F)c1 ZINC000348333782 378914589 /nfs/dbraw/zinc/91/45/89/378914589.db2.gz OKDXJZFCWAIOML-KOLSJAJHSA-N 0 3 254.255 3.002 20 30 CGEDHN CC(C)[C@H]1C[C@@H](NCc2cccc(C#N)c2)CS1 ZINC000276847802 379006430 /nfs/dbraw/zinc/00/64/30/379006430.db2.gz CRLNKCSETKNWMH-HUUCEWRRSA-N 0 3 260.406 3.178 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1ccc(C#N)cc1 ZINC000278618490 194071257 /nfs/dbraw/zinc/07/12/57/194071257.db2.gz GBZLBULJIFKKQZ-MRXNPFEDSA-N 0 3 258.365 3.192 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)CC1(C)C ZINC000347248842 218169548 /nfs/dbraw/zinc/16/95/48/218169548.db2.gz FPWYGHCVKZKZMW-GFCCVEGCSA-N 0 3 258.365 3.187 20 30 CGEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1ccncc1 ZINC000347356792 218202658 /nfs/dbraw/zinc/20/26/58/218202658.db2.gz XIWPYHWHOAWGHS-KRWDZBQOSA-N 0 3 281.359 3.073 20 30 CGEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1ccncc1 ZINC000347356795 218203927 /nfs/dbraw/zinc/20/39/27/218203927.db2.gz XIWPYHWHOAWGHS-QGZVFWFLSA-N 0 3 281.359 3.073 20 30 CGEDHN N#Cc1ccc(CN(CC[C@H]2CCCCO2)C2CC2)cc1 ZINC000347397899 218222001 /nfs/dbraw/zinc/22/20/01/218222001.db2.gz ZTTGPDNYSAXIRZ-GOSISDBHSA-N 0 3 284.403 3.482 20 30 CGEDHN C=CCC[C@H](NC1CCN(C(=O)OC)CC1)c1ccco1 ZINC000278880934 194194468 /nfs/dbraw/zinc/19/44/68/194194468.db2.gz GYBBJGLDWLHPND-AWEZNQCLSA-N 0 3 292.379 3.107 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639310050 379260846 /nfs/dbraw/zinc/26/08/46/379260846.db2.gz NNYXAPGKKSIEKG-ZFWWWQNUSA-N 0 3 259.397 3.443 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccnn2CC2CCC2)C1 ZINC000639349191 379306019 /nfs/dbraw/zinc/30/60/19/379306019.db2.gz WEAJTNWWJJZVHA-CQSZACIVSA-N 0 3 259.397 3.081 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000374000508 379360403 /nfs/dbraw/zinc/36/04/03/379360403.db2.gz CZPXTSPITBLSFJ-CYBMUJFWSA-N 0 3 270.307 3.280 20 30 CGEDHN Cc1nc(C)c(CN[C@H](C)c2cccc(C#N)c2)s1 ZINC000266653589 190273740 /nfs/dbraw/zinc/27/37/40/190273740.db2.gz WIPGYNIXIHFSGJ-SNVBAGLBSA-N 0 3 271.389 3.482 20 30 CGEDHN CCn1nccc1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000278965082 194232795 /nfs/dbraw/zinc/23/27/95/194232795.db2.gz XEWLNMOVRXDAEY-UHFFFAOYSA-N 0 3 294.402 3.154 20 30 CGEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000349856781 379424759 /nfs/dbraw/zinc/42/47/59/379424759.db2.gz SKNWCVKYMMAYLN-CMPLNLGQSA-N 0 3 264.756 3.130 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H](C2CC2)O1 ZINC000375907813 379518128 /nfs/dbraw/zinc/51/81/28/379518128.db2.gz ZHSZABPESYZATH-UKRRQHHQSA-N 0 3 264.413 3.206 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790717 379586859 /nfs/dbraw/zinc/58/68/59/379586859.db2.gz DWVFAINOXODAEQ-ZBFHGGJFSA-N 0 3 279.387 3.221 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@@H]2CCc3ccccc3OC2)c1 ZINC000376472342 379560968 /nfs/dbraw/zinc/56/09/68/379560968.db2.gz OBNWHXUGCINQNC-MRXNPFEDSA-N 0 3 296.345 3.181 20 30 CGEDHN CC(C)(C)CCN1CCN(Cc2cc(C#N)cs2)CC1 ZINC000352376080 379786852 /nfs/dbraw/zinc/78/68/52/379786852.db2.gz JZAJNDSLWRKXTE-UHFFFAOYSA-N 0 3 291.464 3.174 20 30 CGEDHN C=CCOc1ccccc1CNCC1(COC)CCC1 ZINC000336835858 335044052 /nfs/dbraw/zinc/04/40/52/335044052.db2.gz VNNFLZCLQYPNJX-UHFFFAOYSA-N 0 3 275.392 3.158 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(-c2cccc(F)c2)s1 ZINC000352455377 379824449 /nfs/dbraw/zinc/82/44/49/379824449.db2.gz YJSKXUHWPISDGE-CYBMUJFWSA-N 0 3 277.364 3.191 20 30 CGEDHN C=CCCC[C@@H](C)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000641233936 379969536 /nfs/dbraw/zinc/96/95/36/379969536.db2.gz OQVZYFNYXUHYBL-YPMHNXCESA-N 0 3 250.390 3.241 20 30 CGEDHN COC1(CNCc2ccc(C#N)c(F)c2)CCCCC1 ZINC000404676222 379983202 /nfs/dbraw/zinc/98/32/02/379983202.db2.gz GSLDTIPVRPNWLG-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN N#CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000399307088 379938639 /nfs/dbraw/zinc/93/86/39/379938639.db2.gz QAEQWOWFERPGKR-UHFFFAOYSA-N 0 3 273.336 3.111 20 30 CGEDHN COc1ccccc1CN1CCC(CCC#N)CC1 ZINC000399400322 379939479 /nfs/dbraw/zinc/93/94/79/379939479.db2.gz NSKXIIDSMLOVDK-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN CC(C)(CNCc1nc(C#N)cs1)c1cccs1 ZINC000352846895 380002050 /nfs/dbraw/zinc/00/20/50/380002050.db2.gz SULAXDNROCRJPO-UHFFFAOYSA-N 0 3 277.418 3.144 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)c(F)c1 ZINC000352871577 380014824 /nfs/dbraw/zinc/01/48/24/380014824.db2.gz BQOKHASGPSGVGW-XJKSGUPXSA-N 0 3 290.382 3.213 20 30 CGEDHN C[C@H]1CSCCN1CCC1(C#N)CCCCC1 ZINC000411300431 380139233 /nfs/dbraw/zinc/13/92/33/380139233.db2.gz XLRJPHCASGRIFE-ZDUSSCGKSA-N 0 3 252.427 3.288 20 30 CGEDHN N#Cc1csc(CNCC2(c3ccccn3)CCC2)c1 ZINC000353092046 380110797 /nfs/dbraw/zinc/11/07/97/380110797.db2.gz QUGBDUATWJUIHZ-UHFFFAOYSA-N 0 3 283.400 3.226 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCCc2ccc(O)cc21 ZINC000414166575 380196537 /nfs/dbraw/zinc/19/65/37/380196537.db2.gz NUFVBJIMUPEFBR-OAHLLOKOSA-N 0 3 258.365 3.299 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(-n2ccnc2)cc1 ZINC000414171446 380197387 /nfs/dbraw/zinc/19/73/87/380197387.db2.gz UZDXJUJKTSNBTF-CQSZACIVSA-N 0 3 282.391 3.463 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ncc(C)n1C ZINC000414540058 380309319 /nfs/dbraw/zinc/30/93/19/380309319.db2.gz TYVXOPUIWGCGHN-MRXNPFEDSA-N 0 3 269.392 3.006 20 30 CGEDHN CC[C@@H](CC(F)(F)F)NCc1ccc(C#N)s1 ZINC000354622291 380505337 /nfs/dbraw/zinc/50/53/37/380505337.db2.gz KLDTUGVMAAQLQP-QMMMGPOBSA-N 0 3 262.300 3.440 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645185206 380609897 /nfs/dbraw/zinc/60/98/97/380609897.db2.gz ZVDASFGZLYRONG-ZIAGYGMSSA-N 0 3 285.366 3.464 20 30 CGEDHN C=CCC[C@@H](O)CNC1(c2ccccc2Cl)CC1 ZINC000645977213 380788958 /nfs/dbraw/zinc/78/89/58/380788958.db2.gz IEYWJGRWOBNXKK-GFCCVEGCSA-N 0 3 265.784 3.246 20 30 CGEDHN CC[C@@H](COC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356184212 380793028 /nfs/dbraw/zinc/79/30/28/380793028.db2.gz CWOOCQWQBOVEGC-LBPRGKRZSA-N 0 3 286.297 3.092 20 30 CGEDHN CCN(CCOc1ccccc1C)[C@@H](C)CCC#N ZINC000420971380 380865334 /nfs/dbraw/zinc/86/53/34/380865334.db2.gz HWCPZLCDWYPEOA-HNNXBMFYSA-N 0 3 260.381 3.388 20 30 CGEDHN CC(C)n1ccc(C[C@@H](C)NCc2ccc(C#N)s2)n1 ZINC000421351266 380890156 /nfs/dbraw/zinc/89/01/56/380890156.db2.gz NNNHDWMLGZDJOS-GFCCVEGCSA-N 0 3 288.420 3.118 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](O)CC23CCC3)c1 ZINC000421378743 380919752 /nfs/dbraw/zinc/91/97/52/380919752.db2.gz WBBGTQKERYRPJO-MRXNPFEDSA-N 0 3 287.403 3.131 20 30 CGEDHN Cc1cc(C#N)cc(N[C@H](C)[C@@H](c2ccccc2)N(C)C)n1 ZINC000357690077 381251859 /nfs/dbraw/zinc/25/18/59/381251859.db2.gz YSNZQWBWHIGJPU-KDOFPFPSSA-N 0 3 294.402 3.365 20 30 CGEDHN CC[C@H](CC#N)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000358085447 381292206 /nfs/dbraw/zinc/29/22/06/381292206.db2.gz YAZZTPRSKOFXGH-MRXNPFEDSA-N 0 3 299.418 3.093 20 30 CGEDHN CC(C#N)C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000357895100 381285496 /nfs/dbraw/zinc/28/54/96/381285496.db2.gz QZLKLHGEEJJJGT-AWEZNQCLSA-N 0 3 294.354 3.008 20 30 CGEDHN C=C(CC)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000358506152 381313084 /nfs/dbraw/zinc/31/30/84/381313084.db2.gz ININKEWWZUKVQO-UHFFFAOYSA-N 0 3 298.390 3.277 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359551533 381352581 /nfs/dbraw/zinc/35/25/81/381352581.db2.gz FMNHHLMFNHVRBQ-RYRKJORJSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCC1(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CCC1 ZINC000359641705 381358707 /nfs/dbraw/zinc/35/87/07/381358707.db2.gz WELQNXOHMLQACP-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000360738554 381624447 /nfs/dbraw/zinc/62/44/47/381624447.db2.gz LZQLBFDGWBTJLZ-QWHCGFSZSA-N 0 3 295.342 3.211 20 30 CGEDHN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCC1 ZINC000361485231 381771449 /nfs/dbraw/zinc/77/14/49/381771449.db2.gz MRYMEDFTXVZRTL-UHFFFAOYSA-N 0 3 296.374 3.230 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000362232132 381912939 /nfs/dbraw/zinc/91/29/39/381912939.db2.gz ZOJBCJAGCVDBCG-CQSZACIVSA-N 0 3 290.407 3.168 20 30 CGEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000362378334 381962254 /nfs/dbraw/zinc/96/22/54/381962254.db2.gz DOZHQBARMOYTSQ-GXTWGEPZSA-N 0 3 295.452 3.005 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)o1 ZINC000362391035 381973004 /nfs/dbraw/zinc/97/30/04/381973004.db2.gz YBKVMIMSLVPJTQ-ZWKOTPCHSA-N 0 3 296.370 3.239 20 30 CGEDHN C=CCC[C@H](O)CN1CCC(c2ncccc2Cl)CC1 ZINC000365411594 382286719 /nfs/dbraw/zinc/28/67/19/382286719.db2.gz MXBASUOCZITVAJ-AWEZNQCLSA-N 0 3 294.826 3.242 20 30 CGEDHN C=CCC[C@H](CC)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000369020610 382385941 /nfs/dbraw/zinc/38/59/41/382385941.db2.gz ZKHQOWKXKWWBRG-GJZGRUSLSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000369020610 382385947 /nfs/dbraw/zinc/38/59/47/382385947.db2.gz ZKHQOWKXKWWBRG-GJZGRUSLSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCC[C@H](CC)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000369020610 382385951 /nfs/dbraw/zinc/38/59/51/382385951.db2.gz ZKHQOWKXKWWBRG-GJZGRUSLSA-N 0 3 270.380 3.229 20 30 CGEDHN CCN(CCN1CCCCCC1)Cc1ccc(C#N)s1 ZINC000349002769 218789931 /nfs/dbraw/zinc/78/99/31/218789931.db2.gz JAEVIACNNNAXHX-UHFFFAOYSA-N 0 3 291.464 3.318 20 30 CGEDHN COc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1C ZINC000278623617 542377700 /nfs/dbraw/zinc/37/77/00/542377700.db2.gz NOAGFWHRAJDEAI-HIFRSBDPSA-N 0 3 258.365 3.128 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000336191097 533109824 /nfs/dbraw/zinc/10/98/24/533109824.db2.gz OZZVTXIOEJUMNL-AAEUAGOBSA-N 0 3 276.767 3.033 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000334962341 533118394 /nfs/dbraw/zinc/11/83/94/533118394.db2.gz JHVZVRALCSSYHX-NHYWBVRUSA-N 0 3 272.323 3.037 20 30 CGEDHN C=C(C)CN1CCC2(CC1)OCCc1ccsc12 ZINC000334298317 542455460 /nfs/dbraw/zinc/45/54/60/542455460.db2.gz NXVRXGMIOIIRIV-UHFFFAOYSA-N 0 3 263.406 3.188 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000343451994 542500125 /nfs/dbraw/zinc/50/01/25/542500125.db2.gz QXFGGSILBXWKRO-HNNXBMFYSA-N 0 3 285.391 3.116 20 30 CGEDHN COCc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000192632601 262206450 /nfs/dbraw/zinc/20/64/50/262206450.db2.gz BSFSXKWUUMHUPA-CJNGLKHVSA-N 0 3 258.365 3.005 20 30 CGEDHN C=CCOc1cccc(CNCC(C)(C)OCC)c1 ZINC000186541366 262316560 /nfs/dbraw/zinc/31/65/60/262316560.db2.gz WGYLYEWMMSEYHN-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC(C)(C)C[C@@H]1C ZINC000412050760 533332038 /nfs/dbraw/zinc/33/20/38/533332038.db2.gz ZJPDCKNOSAKDBW-STQMWFEESA-N 0 3 285.391 3.006 20 30 CGEDHN COc1cccc(C2=CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000336128555 533439397 /nfs/dbraw/zinc/43/93/97/533439397.db2.gz ZFDVXWZQQBNSTO-YOEHRIQHSA-N 0 3 282.387 3.477 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000380395161 542594666 /nfs/dbraw/zinc/59/46/66/542594666.db2.gz BQHGFVNDFBOBEP-LBPRGKRZSA-N 0 3 275.348 3.295 20 30 CGEDHN C=C(C)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000284797663 392315805 /nfs/dbraw/zinc/31/58/05/392315805.db2.gz OJFZRXJTTKCTFG-ZDUSSCGKSA-N 0 3 281.197 3.461 20 30 CGEDHN C=CCN1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284055447 392308601 /nfs/dbraw/zinc/30/86/01/392308601.db2.gz KMZSIHKBQZDPII-HNNXBMFYSA-N 0 3 288.435 3.310 20 30 CGEDHN C=CCC[C@H](NC[C@@](C)(O)CCC)c1ccco1 ZINC000285906282 392347824 /nfs/dbraw/zinc/34/78/24/392347824.db2.gz CYVUBXQTFLACID-ZFWWWQNUSA-N 0 3 251.370 3.428 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000453340308 542682157 /nfs/dbraw/zinc/68/21/57/542682157.db2.gz CEOSWVNTERKSEK-AWEZNQCLSA-N 0 3 255.365 3.489 20 30 CGEDHN Cc1cccc(N2CCN(CC(C)(C)CCC#N)CC2)c1 ZINC000122000674 392417461 /nfs/dbraw/zinc/41/74/61/392417461.db2.gz GNJLCTFOWRRRKS-UHFFFAOYSA-N 0 3 285.435 3.447 20 30 CGEDHN C#Cc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000289812195 392432864 /nfs/dbraw/zinc/43/28/64/392432864.db2.gz SWHUNXIEURPGNT-SFHVURJKSA-N 0 3 269.388 3.059 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000290315175 392444894 /nfs/dbraw/zinc/44/48/94/392444894.db2.gz CNEZSUNFJXGYSL-QGZVFWFLSA-N 0 3 279.387 3.345 20 30 CGEDHN C=CCN(Cc1ccc(COCCOC)cc1)C1CC1 ZINC000290509660 392448989 /nfs/dbraw/zinc/44/89/89/392448989.db2.gz WYGLTLQLOVSHEP-UHFFFAOYSA-N 0 3 275.392 3.000 20 30 CGEDHN Cc1nc(NC[C@@H](c2cccs2)N(C)C)ccc1C#N ZINC000291650072 392476563 /nfs/dbraw/zinc/47/65/63/392476563.db2.gz NOFLONZOPGLMSV-ZDUSSCGKSA-N 0 3 286.404 3.038 20 30 CGEDHN C=CCN1CCC(Nc2nc(CC)nc(Cl)c2C)CC1 ZINC000301485505 392592433 /nfs/dbraw/zinc/59/24/33/392592433.db2.gz HDKBWPDXRGPBAK-UHFFFAOYSA-N 0 3 294.830 3.063 20 30 CGEDHN COc1cccc(CNCC(C)(C)CCC#N)c1OC ZINC000174281717 392639461 /nfs/dbraw/zinc/63/94/61/392639461.db2.gz DYVBPBCSHPZKPK-UHFFFAOYSA-N 0 3 276.380 3.123 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3ccccc3OC2)c(F)c1 ZINC000509437922 392751961 /nfs/dbraw/zinc/75/19/61/392751961.db2.gz IRAGPDDHPGCSRF-INIZCTEOSA-N 0 3 296.345 3.181 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@H](CCO)c1ccccc1F ZINC000647346173 392696793 /nfs/dbraw/zinc/69/67/93/392696793.db2.gz RXVYEELQSOCKKT-HEHGZKQESA-N 0 3 265.372 3.440 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](CCO)c1ccccc1F ZINC000647346174 392697404 /nfs/dbraw/zinc/69/74/04/392697404.db2.gz RXVYEELQSOCKKT-WOSRLPQWSA-N 0 3 265.372 3.440 20 30 CGEDHN COc1ccc([C@@H]2CCCCCN2C(=O)C(C)C#N)cc1 ZINC000334338880 392720671 /nfs/dbraw/zinc/72/06/71/392720671.db2.gz ZOZNZSZRZICHMR-CJNGLKHVSA-N 0 3 286.375 3.299 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCC(=O)N2 ZINC000519694444 392883790 /nfs/dbraw/zinc/88/37/90/392883790.db2.gz HYQYMDGUJAUWCH-GFCCVEGCSA-N 0 3 285.391 3.162 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000519713760 392886503 /nfs/dbraw/zinc/88/65/03/392886503.db2.gz ZJROMMQOTHJNHW-HNNXBMFYSA-N 0 3 287.363 3.477 20 30 CGEDHN C=CCOCCN(CC)[C@@H](C)c1cccc(OC)c1 ZINC000338924730 392936787 /nfs/dbraw/zinc/93/67/87/392936787.db2.gz JTGRKJLAZVXZEU-AWEZNQCLSA-N 0 3 263.381 3.281 20 30 CGEDHN CCC(C)(C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521630619 392929573 /nfs/dbraw/zinc/92/95/73/392929573.db2.gz BAPXXIQDKOXDQC-UHFFFAOYSA-N 0 3 261.325 3.087 20 30 CGEDHN C=CCOCCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000338889043 392933870 /nfs/dbraw/zinc/93/38/70/392933870.db2.gz AMDCGNOEUFCJNQ-UHFFFAOYSA-N 0 3 289.297 3.220 20 30 CGEDHN C=CCOCCN(CC)Cc1ccc(Cl)cc1 ZINC000338935107 392935301 /nfs/dbraw/zinc/93/53/01/392935301.db2.gz IXLZMVXXCSZASS-UHFFFAOYSA-N 0 3 253.773 3.365 20 30 CGEDHN C=CCOCCN(CCc1ccc(F)cc1)C1CC1 ZINC000338997422 392939626 /nfs/dbraw/zinc/93/96/26/392939626.db2.gz QAHJLUVAPLZVRM-UHFFFAOYSA-N 0 3 263.356 3.035 20 30 CGEDHN N#CCCOCCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000339032632 392941125 /nfs/dbraw/zinc/94/11/25/392941125.db2.gz LWJSSBJWOWATQB-UHFFFAOYSA-N 0 3 298.308 3.214 20 30 CGEDHN CCC[C@]1(COC)CCCN1Cc1cc(C#N)ccc1F ZINC000194937734 392947732 /nfs/dbraw/zinc/94/77/32/392947732.db2.gz KPCCXWCEZLWHDK-QGZVFWFLSA-N 0 3 290.382 3.478 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(CC#N)cc1 ZINC000411892410 392990815 /nfs/dbraw/zinc/99/08/15/392990815.db2.gz KDIRWTGHLBITCG-MOPGFXCFSA-N 0 3 292.382 3.155 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000412618902 393004770 /nfs/dbraw/zinc/00/47/70/393004770.db2.gz WPBRFSRLDIFUTH-SCDSUCTJSA-N 0 3 276.767 3.252 20 30 CGEDHN COCC1(C#N)CCN(CC[C@H](C)c2ccccc2)CC1 ZINC000342841894 393010190 /nfs/dbraw/zinc/01/01/90/393010190.db2.gz UUMVXPNGEAANKS-INIZCTEOSA-N 0 3 286.419 3.432 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000346308172 393081734 /nfs/dbraw/zinc/08/17/34/393081734.db2.gz HUPRNDUROULRMA-MRXNPFEDSA-N 0 3 290.366 3.301 20 30 CGEDHN C=CCOc1ccc(CN2CC(C3CCC3)C2)cc1OC ZINC000348718483 393129376 /nfs/dbraw/zinc/12/93/76/393129376.db2.gz XMBVIQLIVVLDDS-UHFFFAOYSA-N 0 3 287.403 3.492 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N(C)CC[C@H]2CCCCN2C)c1 ZINC000273198599 393273315 /nfs/dbraw/zinc/27/33/15/393273315.db2.gz KSPWWIXWQFZXCI-QGZVFWFLSA-N 0 3 299.418 3.071 20 30 CGEDHN C=CCCCCNC(C)(C)C(=O)Nc1ccccc1 ZINC000649387030 393409761 /nfs/dbraw/zinc/40/97/61/393409761.db2.gz UPZXYYPXCHBASP-UHFFFAOYSA-N 0 3 260.381 3.350 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429594566 393490862 /nfs/dbraw/zinc/49/08/62/393490862.db2.gz YHLLETDLWDFMID-SWLSCSKDSA-N 0 3 258.365 3.187 20 30 CGEDHN N#CCC1(CNCc2ccccc2OC(F)F)CC1 ZINC000430072158 393516968 /nfs/dbraw/zinc/51/69/68/393516968.db2.gz QOPHZYCKVJVCMP-UHFFFAOYSA-N 0 3 266.291 3.071 20 30 CGEDHN C=CC[C@@H](C)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000358044827 393518907 /nfs/dbraw/zinc/51/89/07/393518907.db2.gz IJESVSZXEGUGGA-GHMZBOCLSA-N 0 3 267.344 3.458 20 30 CGEDHN C=CCn1c2ccccc2nc1SC[C@H](C)N(C)C ZINC000358882812 393528157 /nfs/dbraw/zinc/52/81/57/393528157.db2.gz UIIMDKKDIQBTBV-LBPRGKRZSA-N 0 3 275.421 3.265 20 30 CGEDHN C=CCOCCN(C)[C@H](C)CSc1ccccc1 ZINC000649666375 393535486 /nfs/dbraw/zinc/53/54/86/393535486.db2.gz PMCOJGGJIHJSNB-CQSZACIVSA-N 0 3 265.422 3.302 20 30 CGEDHN CN(CCNc1ccc(F)cc1C#N)Cc1ccccc1 ZINC000360963937 393625215 /nfs/dbraw/zinc/62/52/15/393625215.db2.gz JDDFYZATALFOMU-UHFFFAOYSA-N 0 3 283.350 3.241 20 30 CGEDHN C#C[C@H](N[C@@H]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000491496943 393692843 /nfs/dbraw/zinc/69/28/43/393692843.db2.gz URDDBJRZTQKLSZ-GLQYFDAESA-N 0 3 263.768 3.171 20 30 CGEDHN CC(C)[C@H]1CN(Cc2cc(C#N)n(C)c2)[C@H]1C(C)C ZINC000449559762 393902926 /nfs/dbraw/zinc/90/29/26/393902926.db2.gz ZAPKCHLMYQXIEJ-CVEARBPZSA-N 0 3 259.397 3.009 20 30 CGEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCC2)C12CCCC2 ZINC000450974481 394040340 /nfs/dbraw/zinc/04/03/40/394040340.db2.gz VTBYVLNEEASIJZ-KBPBESRZSA-N 0 3 262.397 3.008 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1 ZINC000668493361 543020063 /nfs/dbraw/zinc/02/00/63/543020063.db2.gz NHIBETZALDVFRG-GFCCVEGCSA-N 0 3 262.422 3.420 20 30 CGEDHN C=CCOc1ccc(CNCc2n[nH]c3ccccc23)cc1 ZINC000671723983 543181272 /nfs/dbraw/zinc/18/12/72/543181272.db2.gz ZMEPTYIMNOTRMH-UHFFFAOYSA-N 0 3 293.370 3.418 20 30 CGEDHN C=CCOc1ccc(CNCc2[nH]nc3ccccc32)cc1 ZINC000671723983 543181274 /nfs/dbraw/zinc/18/12/74/543181274.db2.gz ZMEPTYIMNOTRMH-UHFFFAOYSA-N 0 3 293.370 3.418 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCN(CC2CC2)C1)c1ccco1 ZINC000671746813 543185089 /nfs/dbraw/zinc/18/50/89/543185089.db2.gz MDXURZIMMPHIJU-CVEARBPZSA-N 0 3 274.408 3.361 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000338566088 397683763 /nfs/dbraw/zinc/68/37/63/397683763.db2.gz QDXGDHXICNMMPG-OAHLLOKOSA-N 0 3 298.386 3.203 20 30 CGEDHN COCC#CCNC(C)(C)c1ccc(C(C)C)cc1 ZINC000677818801 543467836 /nfs/dbraw/zinc/46/78/36/543467836.db2.gz IXJNMTYMNVOYBB-UHFFFAOYSA-N 0 3 259.393 3.285 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000678744210 543552189 /nfs/dbraw/zinc/55/21/89/543552189.db2.gz ZYXHWLCOXHZLOJ-ZIAGYGMSSA-N 0 3 275.392 3.465 20 30 CGEDHN COCC#CCN[C@H](CC(C)(C)C)c1ccccc1 ZINC000678747829 543553014 /nfs/dbraw/zinc/55/30/14/543553014.db2.gz GAAMPJINTHNTEE-MRXNPFEDSA-N 0 3 259.393 3.403 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000678796334 543559111 /nfs/dbraw/zinc/55/91/11/543559111.db2.gz UFGZZIUDOHPKCJ-MLGOLLRUSA-N 0 3 293.382 3.202 20 30 CGEDHN Cn1cccc1[C@@H]1CCCN1CCOc1cccc(C#N)c1 ZINC000076613371 165117443 /nfs/dbraw/zinc/11/74/43/165117443.db2.gz CVZDHTGZHXSMFB-SFHVURJKSA-N 0 3 295.386 3.113 20 30 CGEDHN CC(C)C[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093716484 165336128 /nfs/dbraw/zinc/33/61/28/165336128.db2.gz XASYGQFBJVQALS-OAHLLOKOSA-N 0 3 296.418 3.464 20 30 CGEDHN CCSCC[C@H](C)N(C)Cc1ccc(C#N)o1 ZINC000093870935 165340273 /nfs/dbraw/zinc/34/02/73/165340273.db2.gz ZRWDAUAXRMIBHP-NSHDSACASA-N 0 3 252.383 3.115 20 30 CGEDHN COc1ccc(C[C@H](C)CN(C)Cc2ccc(C#N)o2)cc1 ZINC000093772120 287119235 /nfs/dbraw/zinc/11/92/35/287119235.db2.gz SVTWIRMFKVLBNI-AWEZNQCLSA-N 0 3 298.386 3.470 20 30 CGEDHN CSCc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000285462094 196292200 /nfs/dbraw/zinc/29/22/00/196292200.db2.gz JTQPEYLJUYZLQN-UHFFFAOYSA-N 0 3 285.416 3.050 20 30 CGEDHN Cc1cc(C)cc(CNCc2ccc(C#N)cc2)c1 ZINC000038076772 174087587 /nfs/dbraw/zinc/08/75/87/174087587.db2.gz BMFMJFOTMRSOOR-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN CCN1CCC[C@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000048505747 416453499 /nfs/dbraw/zinc/45/34/99/416453499.db2.gz LIPQROCBZJYFAE-AWEZNQCLSA-N 0 3 280.375 3.003 20 30 CGEDHN C=CCOCCNCc1cc2cc(C)c(C)cc2o1 ZINC000679486758 543640759 /nfs/dbraw/zinc/64/07/59/543640759.db2.gz TXPUHKKZJMQSQU-UHFFFAOYSA-N 0 3 259.349 3.342 20 30 CGEDHN C=C(C)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000679937971 543669527 /nfs/dbraw/zinc/66/95/27/543669527.db2.gz LLUXRSPKGMJSKT-QGZVFWFLSA-N 0 3 258.409 3.379 20 30 CGEDHN CCC#C[C@H](C)N1CCC(CCCn2ccnc2)CC1 ZINC000679953891 543670445 /nfs/dbraw/zinc/67/04/45/543670445.db2.gz ZIYVNFWPGCGVHI-INIZCTEOSA-N 0 3 273.424 3.177 20 30 CGEDHN COCC#CCN[C@H](CC(C)C)c1cccs1 ZINC000680390639 543708067 /nfs/dbraw/zinc/70/80/67/543708067.db2.gz OUJVRJNFZFQVQP-CYBMUJFWSA-N 0 3 251.395 3.075 20 30 CGEDHN C=C(C)CCN(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000681398605 543786447 /nfs/dbraw/zinc/78/64/47/543786447.db2.gz LJNNDZZGXPYTEA-OAHLLOKOSA-N 0 3 274.408 3.172 20 30 CGEDHN C=CCCCCNCc1nc2c(s1)CCCC2 ZINC000681134843 543769975 /nfs/dbraw/zinc/76/99/75/543769975.db2.gz OQCHGJXUOGODLB-UHFFFAOYSA-N 0 3 250.411 3.468 20 30 CGEDHN CN(Cc1ccc2c[nH]nc2c1)Cc1cccc(C#N)c1 ZINC000130752372 287362052 /nfs/dbraw/zinc/36/20/52/287362052.db2.gz KZICYAPMTOZVMA-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN N#CCC1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000334889989 225350742 /nfs/dbraw/zinc/35/07/42/225350742.db2.gz IECHNUFCQOMARX-UHFFFAOYSA-N 0 3 283.350 3.500 20 30 CGEDHN C=CCOCCNC/C(C)=C\c1ccccc1OC(F)F ZINC000685620098 544089900 /nfs/dbraw/zinc/08/99/00/544089900.db2.gz FZSUITGUHIADGL-QBFSEMIESA-N 0 3 297.345 3.484 20 30 CGEDHN C=CCN(CC=C)CC[C@H]1Sc2ccccc2NC1=O ZINC000659839871 419006447 /nfs/dbraw/zinc/00/64/47/419006447.db2.gz ZEYLXCAPLVDILO-OAHLLOKOSA-N 0 3 288.416 3.164 20 30 CGEDHN C=CCOCCN1CCC(Cc2nc(CC)cs2)CC1 ZINC000653804117 419088622 /nfs/dbraw/zinc/08/86/22/419088622.db2.gz HITSWDSOGQVUIO-UHFFFAOYSA-N 0 3 294.464 3.163 20 30 CGEDHN C=CCCN(C)Cc1cn(-c2ccccc2F)nc1C ZINC000656257497 419159099 /nfs/dbraw/zinc/15/90/99/419159099.db2.gz JJNFQAJBPAEEEO-UHFFFAOYSA-N 0 3 273.355 3.328 20 30 CGEDHN C=CCOc1ccc(CN(C[C@@H](C)O)C2CC2)cc1Cl ZINC000656278464 419165402 /nfs/dbraw/zinc/16/54/02/419165402.db2.gz HKKHWAMABWVJNY-GFCCVEGCSA-N 0 3 295.810 3.250 20 30 CGEDHN C=CCN(Cc1ccc(F)cc1C)[C@@H](C)COC ZINC000661241323 419244504 /nfs/dbraw/zinc/24/45/04/419244504.db2.gz VTVKVUJLZZEXDL-ZDUSSCGKSA-N 0 3 251.345 3.157 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000661378910 419255950 /nfs/dbraw/zinc/25/59/50/419255950.db2.gz OGTCVLRJJBDSBQ-CVEARBPZSA-N 0 3 278.440 3.066 20 30 CGEDHN C[C@@H](CO)[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000661432479 419259044 /nfs/dbraw/zinc/25/90/44/419259044.db2.gz BMYPLVYIXOZXRU-WMLDXEAASA-N 0 3 291.822 3.174 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C)n1C1CC1 ZINC000661114695 419231045 /nfs/dbraw/zinc/23/10/45/419231045.db2.gz KBPWHGJYYNHJRB-DZGCQCFKSA-N 0 3 274.412 3.146 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@H](C)[C@@H]2C)nn1 ZINC000657454316 419282669 /nfs/dbraw/zinc/28/26/69/419282669.db2.gz KMQYHQTXBCMNQL-KKUMJFAQSA-N 0 3 276.428 3.016 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(F)c(F)c1F ZINC000657455573 419283211 /nfs/dbraw/zinc/28/32/11/419283211.db2.gz VMOHBPQCABXPOL-ABAIWWIYSA-N 0 3 285.309 3.175 20 30 CGEDHN C=C(CC)CNCc1ccc(O[C@H](C)COC)cc1 ZINC000657484019 419290078 /nfs/dbraw/zinc/29/00/78/419290078.db2.gz ILRIDYFKHAYZFK-CQSZACIVSA-N 0 3 263.381 3.156 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cc2n(n1)CCC2 ZINC000657496347 419293767 /nfs/dbraw/zinc/29/37/67/419293767.db2.gz OUFOTVJMCNMOGY-INIZCTEOSA-N 0 3 281.403 3.106 20 30 CGEDHN C=CCN(Cc1cccc(NC(C)=O)c1)C(C)(C)C ZINC000661756047 419294699 /nfs/dbraw/zinc/29/46/99/419294699.db2.gz ARJTYDVVPUYZDL-UHFFFAOYSA-N 0 3 260.381 3.432 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H]1CCN1C(C)(C)C ZINC000657523849 419298159 /nfs/dbraw/zinc/29/81/59/419298159.db2.gz LIPZDMINFCHQDK-INIZCTEOSA-N 0 3 288.435 3.214 20 30 CGEDHN C=CCC1(NCc2nc(-c3ccco3)no2)CCCC1 ZINC000661851858 419304799 /nfs/dbraw/zinc/30/47/99/419304799.db2.gz WUGWXWALLXTDQL-UHFFFAOYSA-N 0 3 273.336 3.308 20 30 CGEDHN C=CCC1(NCc2nnc(C3CCC3)n2C)CCCC1 ZINC000661851850 419304949 /nfs/dbraw/zinc/30/49/49/419304949.db2.gz GVQHJLNZRGBKHQ-UHFFFAOYSA-N 0 3 274.412 3.061 20 30 CGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]3C[C@H]3C2)cc1 ZINC000661969549 419317717 /nfs/dbraw/zinc/31/77/17/419317717.db2.gz CETIFHKGPDPXHA-KBPBESRZSA-N 0 3 279.305 3.399 20 30 CGEDHN C=CCc1cc(CNC[C@@]2(C)CC2(F)F)cc(OC)c1O ZINC000657667140 419323890 /nfs/dbraw/zinc/32/38/90/419323890.db2.gz YKRVVYFMYBVNBO-OAHLLOKOSA-N 0 3 297.345 3.264 20 30 CGEDHN C=CCOCCCNCc1cccc(Cl)c1OCC ZINC000657658750 419320337 /nfs/dbraw/zinc/32/03/37/419320337.db2.gz CIBVFBUOTQEEJW-UHFFFAOYSA-N 0 3 283.799 3.421 20 30 CGEDHN C=CCOCCCNCc1csc(-c2ccccc2)n1 ZINC000657657785 419320673 /nfs/dbraw/zinc/32/06/73/419320673.db2.gz CKVHAXXLDNGWSL-UHFFFAOYSA-N 0 3 288.416 3.492 20 30 CGEDHN Cc1cccc2[nH]c(CNC3CCC(C)(C#N)CC3)nc21 ZINC000336207072 228213776 /nfs/dbraw/zinc/21/37/76/228213776.db2.gz RTSBSAUOWMKPPU-UHFFFAOYSA-N 0 3 282.391 3.433 20 30 CGEDHN C=CCCCCCN(C)C(=O)c1cccc2c1CNC2 ZINC000662472362 419441493 /nfs/dbraw/zinc/44/14/93/419441493.db2.gz YZNAZVZWJURKDL-UHFFFAOYSA-N 0 3 272.392 3.108 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(CC)s1 ZINC000658020547 419497009 /nfs/dbraw/zinc/49/70/09/419497009.db2.gz WFVFVGMHUUVPHJ-NEPJUHHUSA-N 0 3 265.426 3.325 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](C(C)C)N2CCCC2)c1 ZINC000663379480 419583658 /nfs/dbraw/zinc/58/36/58/419583658.db2.gz NSWXRAXLWVAJPO-SFHVURJKSA-N 0 3 299.418 3.293 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cc2cnccc2o1 ZINC000658205548 419658133 /nfs/dbraw/zinc/65/81/33/419658133.db2.gz IQJSBIAUCIUJLP-LBPRGKRZSA-N 0 3 260.337 3.071 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1cccc(F)c1 ZINC000188277819 260075649 /nfs/dbraw/zinc/07/56/49/260075649.db2.gz APJBBVVIEBSMQN-OAHLLOKOSA-N 0 3 251.345 3.459 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000298336099 260150540 /nfs/dbraw/zinc/15/05/40/260150540.db2.gz QMXAADSNECHUKN-HNNXBMFYSA-N 0 3 257.333 3.001 20 30 CGEDHN COc1cc(CNCCOc2cccc(C)c2)ccc1C#N ZINC000318495675 261218015 /nfs/dbraw/zinc/21/80/15/261218015.db2.gz XIJVUHHIRXSWMD-UHFFFAOYSA-N 0 3 296.370 3.044 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000183019870 261474906 /nfs/dbraw/zinc/47/49/06/261474906.db2.gz ZNYXUNAKPGUNKI-NXEZZACHSA-N 0 3 259.802 3.379 20 30 CGEDHN C#C[C@H](N[C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000491496944 261642517 /nfs/dbraw/zinc/64/25/17/261642517.db2.gz URDDBJRZTQKLSZ-UGFHNGPFSA-N 0 3 263.768 3.171 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(Cn3cccn3)c2)C1 ZINC000185792653 262071534 /nfs/dbraw/zinc/07/15/34/262071534.db2.gz CQKVPIRWOSZOIH-QAPCUYQASA-N 0 3 294.402 3.103 20 30 CGEDHN COc1ncc([C@H](C)NCC(C)(C)CC#N)cc1Cl ZINC000414174899 262814398 /nfs/dbraw/zinc/81/43/98/262814398.db2.gz YLKVUVJYTHFZEU-JTQLQIEISA-N 0 3 281.787 3.334 20 30 CGEDHN CC[C@@H](O)CN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000272034162 263001556 /nfs/dbraw/zinc/00/15/56/263001556.db2.gz PQRYVYFYKYVDBU-MRXNPFEDSA-N 0 3 274.408 3.199 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414595326 263003294 /nfs/dbraw/zinc/00/32/94/263003294.db2.gz SRDJUCWEOOZVGP-HZPDHXFCSA-N 0 3 269.344 3.490 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000272536156 263005935 /nfs/dbraw/zinc/00/59/35/263005935.db2.gz NZAHXVIXDNJVHS-UHFFFAOYSA-N 0 3 253.349 3.294 20 30 CGEDHN Cc1ccccc1OCCCN(C)[C@@H](C)CCC#N ZINC000276342690 263036386 /nfs/dbraw/zinc/03/63/86/263036386.db2.gz UMFKZPFPKSBPKD-HNNXBMFYSA-N 0 3 260.381 3.388 20 30 CGEDHN Cc1ccc([C@H](C)N[C@H](C)CCC#N)cc1[N+](=O)[O-] ZINC000276344122 263036486 /nfs/dbraw/zinc/03/64/86/263036486.db2.gz USVQWHMZQZRYBV-NEPJUHHUSA-N 0 3 261.325 3.246 20 30 CGEDHN C[C@H](CCC#N)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000279079460 263052891 /nfs/dbraw/zinc/05/28/91/263052891.db2.gz SKYKTSPHWJMXLD-VCTAVGKDSA-N 0 3 280.318 3.077 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](O)c2cc(F)cc(Cl)c2)C1 ZINC000279619324 263056381 /nfs/dbraw/zinc/05/63/81/263056381.db2.gz YCQDQJMTGQJUMU-WKPIXPDZSA-N 0 3 296.773 3.184 20 30 CGEDHN CC1(C#N)CCN(CCCc2ccc3c(c2)CCO3)CC1 ZINC000280820454 263064473 /nfs/dbraw/zinc/06/44/73/263064473.db2.gz JZCJLZDBAITLQB-UHFFFAOYSA-N 0 3 284.403 3.180 20 30 CGEDHN C[C@@H](c1ccncc1)N(C)CCCC1(C#N)CCOCC1 ZINC000281151134 263066792 /nfs/dbraw/zinc/06/67/92/263066792.db2.gz BHPZUMSKTBSXGA-HNNXBMFYSA-N 0 3 287.407 3.175 20 30 CGEDHN Cc1cc([O-])c(C[NH2+]CC2CCC(C#N)CC2)cc1C ZINC000281821395 263072157 /nfs/dbraw/zinc/07/21/57/263072157.db2.gz WYMPNVGJERYDTO-UHFFFAOYSA-N 0 3 272.392 3.429 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340304173 263107415 /nfs/dbraw/zinc/10/74/15/263107415.db2.gz BWQIXASWDXQIHX-MRXNPFEDSA-N 0 3 291.391 3.107 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](Oc3ccc(Cl)cc3)C2)C1 ZINC000293147534 263138343 /nfs/dbraw/zinc/13/83/43/263138343.db2.gz UBRJTOALGSQGPX-XNRPHZJLSA-N 0 3 290.794 3.485 20 30 CGEDHN CN(CCOCCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000293666950 263146360 /nfs/dbraw/zinc/14/63/60/263146360.db2.gz ZBYFAHMRRSDVEX-UHFFFAOYSA-N 0 3 287.190 3.355 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1ccc2c(c1)CCCC2 ZINC000293937739 263152688 /nfs/dbraw/zinc/15/26/88/263152688.db2.gz ZLQDFONUTUKCEC-CQSZACIVSA-N 0 3 272.392 3.146 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1ccc(-c2cccnc2)cc1 ZINC000294616118 263164861 /nfs/dbraw/zinc/16/48/61/263164861.db2.gz OKUXGUQZXUAAGU-OAHLLOKOSA-N 0 3 295.386 3.329 20 30 CGEDHN CC[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631397 263164960 /nfs/dbraw/zinc/16/49/60/263164960.db2.gz PIJCTWJTMAOHIC-GUDVDZBRSA-N 0 3 297.446 3.275 20 30 CGEDHN C[C@H](NCC1CCC(C#N)CC1)c1ccncc1F ZINC000340526560 263185229 /nfs/dbraw/zinc/18/52/29/263185229.db2.gz AZCPAASIIDWTRW-HIFPTAJRSA-N 0 3 261.344 3.201 20 30 CGEDHN COCc1ccc([C@H]2CCCN2[C@H](C)CCC#N)o1 ZINC000299241745 263236366 /nfs/dbraw/zinc/23/63/66/263236366.db2.gz JEHMHHCRHZKSEW-TZMCWYRMSA-N 0 3 262.353 3.255 20 30 CGEDHN C=C(C)CNCc1ccc(OC)c(OCC(C)C)c1 ZINC000119634379 263275835 /nfs/dbraw/zinc/27/58/35/263275835.db2.gz IVBNXNXMRJOYBX-UHFFFAOYSA-N 0 3 263.381 3.396 20 30 CGEDHN C#CCCOc1ccc(CN(C)CCc2ccccn2)cc1 ZINC000120779322 263289094 /nfs/dbraw/zinc/28/90/94/263289094.db2.gz GPBWQLHQGMPCLP-UHFFFAOYSA-N 0 3 294.398 3.158 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000341314089 263334156 /nfs/dbraw/zinc/33/41/56/263334156.db2.gz SCOBZYZSFYHBPX-SNVBAGLBSA-N 0 3 291.288 3.119 20 30 CGEDHN CCc1cccc(CN2CCC(C#N)(COC)CC2)c1 ZINC000341991801 263382284 /nfs/dbraw/zinc/38/22/84/263382284.db2.gz MAVSWCLCXLLAJI-UHFFFAOYSA-N 0 3 272.392 3.001 20 30 CGEDHN CCCO[C@@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000160108091 264231968 /nfs/dbraw/zinc/23/19/68/264231968.db2.gz MMEKRFIGISSQTL-GOSISDBHSA-N 0 3 289.394 3.458 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000128104388 264273204 /nfs/dbraw/zinc/27/32/04/264273204.db2.gz ANORJMUSISCSGF-AEFFLSMTSA-N 0 3 287.403 3.252 20 30 CGEDHN C=C(C)COc1cc(CN(C)CCOCC)ccc1OC ZINC000181492012 264462302 /nfs/dbraw/zinc/46/23/02/264462302.db2.gz CWQXQHDTMADYND-UHFFFAOYSA-N 0 3 293.407 3.118 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)OCO2 ZINC000186187947 270065119 /nfs/dbraw/zinc/06/51/19/270065119.db2.gz JJBCDIPHNMZBTK-CYBMUJFWSA-N 0 3 294.354 3.480 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCC(=O)N2 ZINC000519694450 265534633 /nfs/dbraw/zinc/53/46/33/265534633.db2.gz HYQYMDGUJAUWCH-LBPRGKRZSA-N 0 3 285.391 3.162 20 30 CGEDHN C=C(C)CN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357034749 266237001 /nfs/dbraw/zinc/23/70/01/266237001.db2.gz JDTHGTPTBHNGKB-UHFFFAOYSA-N 0 3 271.360 3.123 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357046140 266238188 /nfs/dbraw/zinc/23/81/88/266238188.db2.gz UNWKHTPOMFVGCN-HOTGVXAUSA-N 0 3 290.451 3.088 20 30 CGEDHN CN1CC[C@H](NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000368057045 267143043 /nfs/dbraw/zinc/14/30/43/267143043.db2.gz TYLWMZSARMMLAM-LSDHHAIUSA-N 0 3 295.789 3.118 20 30 CGEDHN CCC[C@H](C)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000376649785 268006969 /nfs/dbraw/zinc/00/69/69/268006969.db2.gz YSBDVHBRPGUPSA-HNNXBMFYSA-N 0 3 271.408 3.375 20 30 CGEDHN COc1ccc2c(c1)CCN(Cc1cc(C#N)cs1)CC2 ZINC000439772104 274123122 /nfs/dbraw/zinc/12/31/22/274123122.db2.gz VSZPSFNOBQXEGC-UHFFFAOYSA-N 0 3 298.411 3.229 20 30 CGEDHN CSC[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356193241 274176862 /nfs/dbraw/zinc/17/68/62/274176862.db2.gz VZVKMZYUNIPKKD-SECBINFHSA-N 0 3 288.338 3.418 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000236590186 274927620 /nfs/dbraw/zinc/92/76/20/274927620.db2.gz AEYSPPMHAUECJY-GOSISDBHSA-N 0 3 278.355 3.431 20 30 CGEDHN CSCC[C@@H](C)N(C)Cc1ccc(F)c(C#N)c1 ZINC000121271910 278130968 /nfs/dbraw/zinc/13/09/68/278130968.db2.gz MXDDHYFXGRXUIL-LLVKDONJSA-N 0 3 266.385 3.271 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1cccc(C#N)c1 ZINC000334375461 278372136 /nfs/dbraw/zinc/37/21/36/278372136.db2.gz DIAHJWYHQYZHLM-MLGOLLRUSA-N 0 3 280.375 3.020 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)C1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459479184 278489854 /nfs/dbraw/zinc/48/98/54/278489854.db2.gz UURPKQTYEQRVAE-VXGBXAGGSA-N 0 3 287.363 3.381 20 30 CGEDHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000348334254 279061699 /nfs/dbraw/zinc/06/16/99/279061699.db2.gz OROXTPUSISGOLR-LRQBHLAOSA-N 0 3 274.339 3.320 20 30 CGEDHN C[C@H](CN1CCCCC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271967874 279303277 /nfs/dbraw/zinc/30/32/77/279303277.db2.gz VZJFGPQZAMJJAV-KGLIPLIRSA-N 0 3 289.398 3.222 20 30 CGEDHN C[C@H]1N(CC#Cc2ccc(F)cc2)CCC12CCOCC2 ZINC000335997490 280037369 /nfs/dbraw/zinc/03/73/69/280037369.db2.gz IMQJVPWMAIAKBK-OAHLLOKOSA-N 0 3 287.378 3.068 20 30 CGEDHN C=CCSCCNCc1cccc(Cl)c1F ZINC000165968880 527002597 /nfs/dbraw/zinc/00/25/97/527002597.db2.gz HXYBPWDCGRRNDD-UHFFFAOYSA-N 0 3 259.777 3.488 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCOc3ccccc32)C1 ZINC000349341552 303160358 /nfs/dbraw/zinc/16/03/58/303160358.db2.gz KNCFAWJJWZUYFJ-NFAWXSAZSA-N 0 3 256.349 3.182 20 30 CGEDHN C=CCCCNC(=O)N(CCC)CCN1CCCCCC1 ZINC000460677064 327787349 /nfs/dbraw/zinc/78/73/49/327787349.db2.gz KAIBWKOKQSVWHH-UHFFFAOYSA-N 0 3 295.471 3.250 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337401997 327954137 /nfs/dbraw/zinc/95/41/37/327954137.db2.gz DFCLYSYIMANUIF-AWEZNQCLSA-N 0 3 277.412 3.242 20 30 CGEDHN C=CCCOCCNCc1ccc(SC)s1 ZINC000336688433 328118787 /nfs/dbraw/zinc/11/87/87/328118787.db2.gz JSUQFUVMVSYRQD-UHFFFAOYSA-N 0 3 257.424 3.152 20 30 CGEDHN C=CCC[C@@H](NCc1cnc(N(C)C)n1C)c1ccccc1 ZINC000414362412 328155324 /nfs/dbraw/zinc/15/53/24/328155324.db2.gz SGGDPVWWEIULKB-QGZVFWFLSA-N 0 3 298.434 3.283 20 30 CGEDHN N#CCCCNCc1ccc(F)c(C(F)(F)F)c1 ZINC000273080527 328203466 /nfs/dbraw/zinc/20/34/66/328203466.db2.gz QMOXXPCRMGQBJL-UHFFFAOYSA-N 0 3 260.234 3.238 20 30 CGEDHN CC(C)(C#N)c1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000278554699 328227249 /nfs/dbraw/zinc/22/72/49/328227249.db2.gz GYGIFNMSHCAOGI-UHFFFAOYSA-N 0 3 297.402 3.055 20 30 CGEDHN COc1cc(C)c(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000278595929 328227793 /nfs/dbraw/zinc/22/77/93/328227793.db2.gz LOQVKAGGCRXKAS-HIFRSBDPSA-N 0 3 288.391 3.136 20 30 CGEDHN CN(CCOc1ccc(Cl)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278604533 328228132 /nfs/dbraw/zinc/22/81/32/328228132.db2.gz MBPIJQGBBXLKAN-GXTWGEPZSA-N 0 3 278.783 3.343 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000293158142 328274586 /nfs/dbraw/zinc/27/45/86/328274586.db2.gz RIVLKMJXWOGDFN-QZTJIDSGSA-N 0 3 297.446 3.275 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2cnccc2C)CC1 ZINC000340599838 328296024 /nfs/dbraw/zinc/29/60/24/328296024.db2.gz IBIQGXMCNIUJJT-MRXNPFEDSA-N 0 3 273.424 3.257 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000535153179 328390784 /nfs/dbraw/zinc/39/07/84/328390784.db2.gz LWVZOTKUSDUNCH-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000341471394 328411806 /nfs/dbraw/zinc/41/18/06/328411806.db2.gz NJXRNQIBKZTYLI-ZFWWWQNUSA-N 0 3 293.407 3.072 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(SCCOC)cc1 ZINC000341742869 328415373 /nfs/dbraw/zinc/41/53/73/328415373.db2.gz IUKJKHSTRBWPPR-ZDUSSCGKSA-N 0 3 263.406 3.099 20 30 CGEDHN CSC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358574348 533706952 /nfs/dbraw/zinc/70/69/52/533706952.db2.gz RXAUJMULTJLGPO-NXEZZACHSA-N 0 3 252.358 3.099 20 30 CGEDHN C#CCOc1ccccc1CNC[C@H](OC)c1ccccc1 ZINC000060528506 328510082 /nfs/dbraw/zinc/51/00/82/328510082.db2.gz KKTBSFUICQGORQ-IBGZPJMESA-N 0 3 295.382 3.176 20 30 CGEDHN C=C(C)[C@H](NC1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000286340277 328521864 /nfs/dbraw/zinc/52/18/64/328521864.db2.gz YUEFAOWEVSHDLT-ZUEPYMLJSA-N 0 3 281.346 3.475 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000575321802 335093415 /nfs/dbraw/zinc/09/34/15/335093415.db2.gz JWCRDIMPNNULBO-SLEUVZQESA-N 0 3 251.345 3.192 20 30 CGEDHN CCO[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)C1(CC)CC ZINC000247028050 326863848 /nfs/dbraw/zinc/86/38/48/326863848.db2.gz MFEXUBDDHGYCBH-QLFBSQMISA-N 0 3 277.412 3.003 20 30 CGEDHN C=C(C)CNCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000512400973 332967025 /nfs/dbraw/zinc/96/70/25/332967025.db2.gz UYDATKYYWILWBT-UHFFFAOYSA-N 0 3 261.365 3.308 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000558431677 327094031 /nfs/dbraw/zinc/09/40/31/327094031.db2.gz NGSFBNHTMVQMDO-FOIPXRHGSA-N 0 3 296.414 3.454 20 30 CGEDHN C=CCOCCNC(C)(C)c1ccc(Cl)cc1 ZINC000559144756 327143043 /nfs/dbraw/zinc/14/30/43/327143043.db2.gz PUAMHNCWGIDLQV-UHFFFAOYSA-N 0 3 253.773 3.367 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400954 327243499 /nfs/dbraw/zinc/24/34/99/327243499.db2.gz TWQRUXPPLNJNTQ-ZBFHGGJFSA-N 0 3 295.810 3.120 20 30 CGEDHN C=CCNC(=O)CN(CC(C)C)[C@@H](C)c1ccccc1C ZINC000560184563 327288621 /nfs/dbraw/zinc/28/86/21/327288621.db2.gz SZTAUBOECQYVEV-INIZCTEOSA-N 0 3 288.435 3.316 20 30 CGEDHN C=CCC[C@@H](C)N[C@H](COC)c1ccc(CC)o1 ZINC000184834943 327412004 /nfs/dbraw/zinc/41/20/04/327412004.db2.gz PNJAOVKOTHDJNF-TZMCWYRMSA-N 0 3 251.370 3.474 20 30 CGEDHN CC(C)(C)[C@@H](CCO)NCC#Cc1ccccc1Cl ZINC000562163473 327453526 /nfs/dbraw/zinc/45/35/26/327453526.db2.gz LWQSASLGVLCFRQ-OAHLLOKOSA-N 0 3 279.811 3.078 20 30 CGEDHN C=CCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000175225016 329166593 /nfs/dbraw/zinc/16/65/93/329166593.db2.gz WPLYNVKEBTVVLG-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN CCCCO[C@H]1C[C@H](N(C)CCCC#N)C1(C)C ZINC000177734835 329186567 /nfs/dbraw/zinc/18/65/67/329186567.db2.gz ULWTWZYCGKHZLN-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000185444576 329273825 /nfs/dbraw/zinc/27/38/25/329273825.db2.gz DPUOXSNHMAMJNL-JKSUJKDBSA-N 0 3 278.440 3.066 20 30 CGEDHN N#Cc1ccc(CN[C@H](CO)C2CCCCC2)c(Cl)c1 ZINC000395289431 329285972 /nfs/dbraw/zinc/28/59/72/329285972.db2.gz MFNOSWAVUBUEOQ-MRXNPFEDSA-N 0 3 292.810 3.242 20 30 CGEDHN C=CC(C)(C)CNCc1nc2ccccc2n1CC ZINC000395394206 329289259 /nfs/dbraw/zinc/28/92/59/329289259.db2.gz QEQCUIALLRCUEB-UHFFFAOYSA-N 0 3 257.381 3.358 20 30 CGEDHN Cc1nn(-c2ccccc2)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185896001 329334809 /nfs/dbraw/zinc/33/48/09/329334809.db2.gz QSKBBWAESNGCPF-RDJZCZTQSA-N 0 3 294.402 3.353 20 30 CGEDHN C=CCCCCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000584538163 329518109 /nfs/dbraw/zinc/51/81/09/329518109.db2.gz IATTXUHJBJJYQU-HNNXBMFYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000079324090 330022191 /nfs/dbraw/zinc/02/21/91/330022191.db2.gz WDPUWIMJAARMPH-HZPDHXFCSA-N 0 3 286.419 3.235 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(OC)cc1F)C1CC1 ZINC000421830566 330084749 /nfs/dbraw/zinc/08/47/49/330084749.db2.gz CBDWJEUOLOLDNV-PXAZEXFGSA-N 0 3 293.382 3.060 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H]1CCCC[C@H]1O ZINC000572443843 330085423 /nfs/dbraw/zinc/08/54/23/330085423.db2.gz ICXXAEUHIFGFCB-IAGOWNOFSA-N 0 3 259.393 3.226 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000274398242 330105740 /nfs/dbraw/zinc/10/57/40/330105740.db2.gz XHAYOAAPEHSZPB-NXHRZFHOSA-N 0 3 285.435 3.179 20 30 CGEDHN CC(C)c1ncc2c(n1)CCN(CCCC(C)(C)C#N)C2 ZINC000527617904 330265630 /nfs/dbraw/zinc/26/56/30/330265630.db2.gz CKIFGDHPQPKWGD-UHFFFAOYSA-N 0 3 286.423 3.288 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(F)cc1F ZINC000424135477 330270433 /nfs/dbraw/zinc/27/04/33/330270433.db2.gz JNRHXNNMESCDMW-PGUXBMHVSA-N 0 3 267.319 3.207 20 30 CGEDHN C=CCOc1ccc(CNCC23CC(C2)CO3)cc1Cl ZINC000527788132 330283345 /nfs/dbraw/zinc/28/33/45/330283345.db2.gz JOYVKXSVRXSRHA-UHFFFAOYSA-N 0 3 293.794 3.173 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000424171428 330311716 /nfs/dbraw/zinc/31/17/16/330311716.db2.gz KSDQUBFZLILSCU-VIRABCJISA-N 0 3 261.365 3.084 20 30 CGEDHN N#CC1CCN(CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528361590 330322567 /nfs/dbraw/zinc/32/25/67/330322567.db2.gz AFIWGDMQAVWIJW-UHFFFAOYSA-N 0 3 298.430 3.311 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cnc(C3CCC3)s2)C1 ZINC000424196613 330325382 /nfs/dbraw/zinc/32/53/82/330325382.db2.gz NIRXYQQBQGLIEV-PWSUYJOCSA-N 0 3 261.394 3.192 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OCC3CC3)cc2)C1 ZINC000424209046 330328138 /nfs/dbraw/zinc/32/81/38/330328138.db2.gz YUTUFYWOVRZSMO-CVEARBPZSA-N 0 3 270.376 3.257 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000424329177 330341957 /nfs/dbraw/zinc/34/19/57/330341957.db2.gz PIYIKWJAXNMYBY-LNSITVRQSA-N 0 3 274.339 3.321 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1N(C)C ZINC000424330533 330342173 /nfs/dbraw/zinc/34/21/73/330342173.db2.gz QYMQIVZAIABXLK-MELADBBJSA-N 0 3 257.381 3.095 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000424331274 330342291 /nfs/dbraw/zinc/34/22/91/330342291.db2.gz RXHYTLLPFNTOGF-NJZAAPMLSA-N 0 3 273.336 3.328 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424331208 330342348 /nfs/dbraw/zinc/34/23/48/330342348.db2.gz JEEFFAMCQNZJNZ-NEPJUHHUSA-N 0 3 283.799 3.326 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000121048649 330395306 /nfs/dbraw/zinc/39/53/06/330395306.db2.gz QUEJUAXBXLFEDN-CVEARBPZSA-N 0 3 288.435 3.193 20 30 CGEDHN CC1(C)[C@@H](NCC2(C#N)CC2)C[C@@H]1OCc1ccccc1 ZINC000430876771 330576125 /nfs/dbraw/zinc/57/61/25/330576125.db2.gz SKYVZHZABCDOKT-HOTGVXAUSA-N 0 3 284.403 3.264 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc(C3CC3)ccc2F)C1 ZINC000449373213 330920089 /nfs/dbraw/zinc/92/00/89/330920089.db2.gz PNSHIELTAMQZIJ-XHDPSFHLSA-N 0 3 258.340 3.485 20 30 CGEDHN C=C(C)CCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000449476898 330928767 /nfs/dbraw/zinc/92/87/67/330928767.db2.gz NXZNMYKIVRECDM-UHFFFAOYSA-N 0 3 273.355 3.126 20 30 CGEDHN C=CCC[C@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000449697037 330944418 /nfs/dbraw/zinc/94/44/18/330944418.db2.gz JTJGTYCIDMTRMO-GFCCVEGCSA-N 0 3 291.288 3.261 20 30 CGEDHN C=C(CC)CNCc1cc(OC)c(OCC)c(OC)c1 ZINC000449737170 330947448 /nfs/dbraw/zinc/94/74/48/330947448.db2.gz YETCEZNFAYYPIA-UHFFFAOYSA-N 0 3 279.380 3.158 20 30 CGEDHN CC[C@@H]1CN(CC)CCN1CC#Cc1ccccc1Cl ZINC000451740671 331040868 /nfs/dbraw/zinc/04/08/68/331040868.db2.gz MIRSCXBEJHTFFH-MRXNPFEDSA-N 0 3 290.838 3.108 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163523132 331051451 /nfs/dbraw/zinc/05/14/51/331051451.db2.gz LGOBWHGCYZFENM-HNNXBMFYSA-N 0 3 278.352 3.228 20 30 CGEDHN C=C(C)COCCN[C@H](c1ccc(F)cc1)C1CC1 ZINC000163756469 331082595 /nfs/dbraw/zinc/08/25/95/331082595.db2.gz LDKJDBUXESKJJE-INIZCTEOSA-N 0 3 263.356 3.459 20 30 CGEDHN CC#CCNc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453151935 331094601 /nfs/dbraw/zinc/09/46/01/331094601.db2.gz VMHJCGOEJHQPFV-UHFFFAOYSA-N 0 3 292.810 3.248 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000453356744 331121689 /nfs/dbraw/zinc/12/16/89/331121689.db2.gz NISUGMANHOCYDD-KOLCDFICSA-N 0 3 273.298 3.082 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1csc(C)c1 ZINC000453366389 331123259 /nfs/dbraw/zinc/12/32/59/331123259.db2.gz SVLTWJMBBWKNJF-YUTCNCBUSA-N 0 3 251.395 3.441 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1nccc2ccccc21 ZINC000453376685 331124859 /nfs/dbraw/zinc/12/48/59/331124859.db2.gz XYKKVNHVEPJUDJ-WQVCFCJDSA-N 0 3 268.360 3.229 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000459480237 331284055 /nfs/dbraw/zinc/28/40/55/331284055.db2.gz OVRDKSWEKFLWDQ-HUUCEWRRSA-N 0 3 290.838 3.106 20 30 CGEDHN C=CCN(CCOC)CCc1cccc(Cl)c1 ZINC000459534488 331286283 /nfs/dbraw/zinc/28/62/83/331286283.db2.gz WMENJDARTGIZKJ-UHFFFAOYSA-N 0 3 253.773 3.017 20 30 CGEDHN CO[C@@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C12CCC2 ZINC000459781173 331300596 /nfs/dbraw/zinc/30/05/96/331300596.db2.gz YKRSJCXKRUNFSB-JKSUJKDBSA-N 0 3 289.806 3.239 20 30 CGEDHN CC#CCCNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000166296721 331307002 /nfs/dbraw/zinc/30/70/02/331307002.db2.gz GPWQLDQEJBQLHC-UHFFFAOYSA-N 0 3 279.767 3.004 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000467817568 331424332 /nfs/dbraw/zinc/42/43/32/331424332.db2.gz OYUNVVSYJAGZGT-UHFFFAOYSA-N 0 3 292.467 3.335 20 30 CGEDHN Cc1cccc([C@H](NC(=O)C(C)C#N)C(C)(C)C)c1 ZINC000488872625 332030703 /nfs/dbraw/zinc/03/07/03/332030703.db2.gz SGMKQBRUNORPRF-JSGCOSHPSA-N 0 3 258.365 3.358 20 30 CGEDHN C#C[C@H](C)N(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000491450532 332213105 /nfs/dbraw/zinc/21/31/05/332213105.db2.gz AXQNXVGGDQAVSG-JTQLQIEISA-N 0 3 299.201 3.276 20 30 CGEDHN C#C[C@H](N[C@H]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000491496941 332223501 /nfs/dbraw/zinc/22/35/01/332223501.db2.gz URDDBJRZTQKLSZ-CQDKDKBSSA-N 0 3 263.768 3.171 20 30 CGEDHN C#C[C@H](CC)NCc1cccc(-c2ccncc2)c1 ZINC000491627021 332250639 /nfs/dbraw/zinc/25/06/39/332250639.db2.gz JMPPNHHXYSGYSU-QGZVFWFLSA-N 0 3 250.345 3.250 20 30 CGEDHN C=CCN1CCC(NC(=O)/C=C\c2cc(C)cc(C)c2)CC1 ZINC000492386089 332395085 /nfs/dbraw/zinc/39/50/85/332395085.db2.gz LFTIIKUULFANMD-WAYWQWQTSA-N 0 3 298.430 3.083 20 30 CGEDHN C=C(Cl)CN[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000494591224 332478090 /nfs/dbraw/zinc/47/80/90/332478090.db2.gz VKAUAYRFPLUFFM-QWRGUYRKSA-N 0 3 276.808 3.020 20 30 CGEDHN Cc1cc(C)cc(C[C@@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000516563315 332572669 /nfs/dbraw/zinc/57/26/69/332572669.db2.gz DEHHBDHMADPJHQ-HZPDHXFCSA-N 0 3 269.392 3.268 20 30 CGEDHN C[C@H](NCCC(C)(F)F)c1ccc(OCC#N)cc1 ZINC000294350066 334895119 /nfs/dbraw/zinc/89/51/19/334895119.db2.gz ZEOSPEVCMYHOQH-NSHDSACASA-N 0 3 268.307 3.285 20 30 CGEDHN C=C(C)CNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000512345891 332964004 /nfs/dbraw/zinc/96/40/04/332964004.db2.gz IYZHJGBHFRBJIZ-UHFFFAOYSA-N 0 3 277.261 3.433 20 30 CGEDHN C=C(C)COCCNCc1ccc(SC)s1 ZINC000336702497 335113691 /nfs/dbraw/zinc/11/36/91/335113691.db2.gz ODEHJJAQLCCMSY-UHFFFAOYSA-N 0 3 257.424 3.152 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(OC)ccc1OC ZINC000312081600 333076200 /nfs/dbraw/zinc/07/62/00/333076200.db2.gz LYBOWHGQTYDHQG-UHFFFAOYSA-N 0 3 263.381 3.396 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000185295461 333138446 /nfs/dbraw/zinc/13/84/46/333138446.db2.gz NYTXHXKQIMWWRW-DOTOQJQBSA-N 0 3 288.435 3.316 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000185740901 333147962 /nfs/dbraw/zinc/14/79/62/333147962.db2.gz MFPQPBHDMYIMCP-GOEBONIOSA-N 0 3 286.419 3.108 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000186367252 333159569 /nfs/dbraw/zinc/15/95/69/333159569.db2.gz HZDCPFGCIWMBMX-MSOLQXFVSA-N 0 3 289.394 3.361 20 30 CGEDHN C[C@@H]1CSCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000190476741 333207301 /nfs/dbraw/zinc/20/73/01/333207301.db2.gz ARISWXUKNVIESX-ZDUSSCGKSA-N 0 3 279.836 3.376 20 30 CGEDHN C=CCSCCNCc1ccc(OCC2CC2)cc1 ZINC000190957994 333212851 /nfs/dbraw/zinc/21/28/51/333212851.db2.gz ZRFYYENJNLXOMQ-UHFFFAOYSA-N 0 3 277.433 3.484 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000539388791 333668377 /nfs/dbraw/zinc/66/83/77/333668377.db2.gz SFCSYBLNBVIBPA-JKSUJKDBSA-N 0 3 295.471 3.151 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(F)cc1F ZINC000576182724 335166223 /nfs/dbraw/zinc/16/62/23/335166223.db2.gz GRVRJLISNWDXKI-WFASDCNBSA-N 0 3 267.319 3.036 20 30 CGEDHN CC(C)(C#N)CCN1CCN(CC2CCCCC2)CC1 ZINC000131321337 333923686 /nfs/dbraw/zinc/92/36/86/333923686.db2.gz GBAMVRXKKWKNHD-UHFFFAOYSA-N 0 3 277.456 3.124 20 30 CGEDHN CN(C[C@H]1CCCN1CCCCC#N)C(=O)OC(C)(C)C ZINC000076017371 334066612 /nfs/dbraw/zinc/06/66/12/334066612.db2.gz QIRFDLBTUUJBNK-CQSZACIVSA-N 0 3 295.427 3.012 20 30 CGEDHN C=CCCCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549618048 334199788 /nfs/dbraw/zinc/19/97/88/334199788.db2.gz XTQRACBAXIVXIC-OAHLLOKOSA-N 0 3 294.826 3.415 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](C)c1cc(OC)ncc1F ZINC000551240379 334242444 /nfs/dbraw/zinc/24/24/44/334242444.db2.gz KYWNXODJQKUJPM-NSHDSACASA-N 0 3 266.360 3.482 20 30 CGEDHN C=CCN(Cc1ccccc1F)C(=O)C1(N)CCCCC1 ZINC000567890589 334772284 /nfs/dbraw/zinc/77/22/84/334772284.db2.gz JDJMKVFOMGOFLO-UHFFFAOYSA-N 0 3 290.382 3.002 20 30 CGEDHN C=C(Cl)CNC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000166150709 334905996 /nfs/dbraw/zinc/90/59/96/334905996.db2.gz ITYOWMZAUDUUQJ-UHFFFAOYSA-N 0 3 288.819 3.164 20 30 CGEDHN C=C(Cl)CN[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000166151777 334906090 /nfs/dbraw/zinc/90/60/90/334906090.db2.gz DUEANPXFJIBJPL-RYUDHWBXSA-N 0 3 288.819 3.022 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000577048266 335289877 /nfs/dbraw/zinc/28/98/77/335289877.db2.gz RQSXVFDWDWHXEW-XJKSGUPXSA-N 0 3 297.402 3.207 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccc(F)cc2F)s1 ZINC000176965366 335348423 /nfs/dbraw/zinc/34/84/23/335348423.db2.gz UQDLKYOAKCWUBE-UHFFFAOYSA-N 0 3 294.326 3.067 20 30 CGEDHN Cc1nn(C(C)C)cc1CN1CCC(CCC#N)CC1 ZINC000581012524 335996449 /nfs/dbraw/zinc/99/64/49/335996449.db2.gz DLSPEMRNNOCTDR-UHFFFAOYSA-N 0 3 274.412 3.288 20 30 CGEDHN C=CCOCCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000581239071 336029340 /nfs/dbraw/zinc/02/93/40/336029340.db2.gz FIHWAQAKAUWBMS-MQNTZWLQSA-N 0 3 257.377 3.367 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000581239072 336029449 /nfs/dbraw/zinc/02/94/49/336029449.db2.gz FIHWAQAKAUWBMS-QXPKXGMISA-N 0 3 257.377 3.367 20 30 CGEDHN C=CC[C@@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000382353755 336086233 /nfs/dbraw/zinc/08/62/33/336086233.db2.gz FBRQSYYDOJWYHX-NXEZZACHSA-N 0 3 269.186 3.459 20 30 CGEDHN CO[C@](C)(CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000384300835 336123749 /nfs/dbraw/zinc/12/37/49/336123749.db2.gz ISGYRZUTELEKRQ-GOSISDBHSA-N 0 3 280.371 3.210 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000581947121 336174740 /nfs/dbraw/zinc/17/47/40/336174740.db2.gz OEBLRRHDVAVKDU-CQSZACIVSA-N 0 3 285.347 3.088 20 30 CGEDHN C=CCCC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288264348 500575416 /nfs/dbraw/zinc/57/54/16/500575416.db2.gz GQAMDEJAQHBMSK-IBGZPJMESA-N 0 3 298.430 3.077 20 30 CGEDHN CC(C#N)C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000346980491 534282795 /nfs/dbraw/zinc/28/27/95/534282795.db2.gz LWURATZZEIAVHJ-LLVKDONJSA-N 0 3 291.420 3.009 20 30 CGEDHN CCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1O ZINC000131177548 521334769 /nfs/dbraw/zinc/33/47/69/521334769.db2.gz NPBDBOMNPKSATR-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000334693945 534749011 /nfs/dbraw/zinc/74/90/11/534749011.db2.gz SLKOGGNCUQYYBC-GXFFZTMASA-N 0 3 250.292 3.137 20 30 CGEDHN C=C(C)CCN1CCN(Cc2ccccc2)C[C@H]1C ZINC000352011469 526445185 /nfs/dbraw/zinc/44/51/85/526445185.db2.gz BPFBLPBVRJYGMJ-MRXNPFEDSA-N 0 3 258.409 3.159 20 30 CGEDHN C=C(C)CN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347380520 526569753 /nfs/dbraw/zinc/56/97/53/526569753.db2.gz SFNIWMXAURZKNB-KGLIPLIRSA-N 0 3 263.406 3.063 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CCCC(C)C)c1ccccc1 ZINC000347356907 526571989 /nfs/dbraw/zinc/57/19/89/526571989.db2.gz UGMLHPCSNLNDKO-KRWDZBQOSA-N 0 3 288.435 3.446 20 30 CGEDHN C=C(C)COCCN[C@H](COC)c1cccc(Cl)c1 ZINC000353264568 526657874 /nfs/dbraw/zinc/65/78/74/526657874.db2.gz KWZNLPWABDXQNQ-OAHLLOKOSA-N 0 3 283.799 3.210 20 30 CGEDHN C#CCCOc1ccc(CN[C@H](C)c2cccnc2)cc1 ZINC000113314310 526744834 /nfs/dbraw/zinc/74/48/34/526744834.db2.gz XLFXNTUAEIIJTB-OAHLLOKOSA-N 0 3 280.371 3.335 20 30 CGEDHN C=CCOc1cccc(CNCCc2nc(C)oc2C)c1 ZINC000346835956 526903592 /nfs/dbraw/zinc/90/35/92/526903592.db2.gz VNUJZDVBILTULX-UHFFFAOYSA-N 0 3 286.375 3.189 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(c2ncc[nH]2)CC1 ZINC000352856834 526930832 /nfs/dbraw/zinc/93/08/32/526930832.db2.gz HOUMBULBKKWGLX-UHFFFAOYSA-N 0 3 297.402 3.354 20 30 CGEDHN C=CCCCN1CCN(Cc2ccccc2)C[C@H]1C ZINC000344516008 527199311 /nfs/dbraw/zinc/19/93/11/527199311.db2.gz NEGXZKZIMSBWMX-MRXNPFEDSA-N 0 3 258.409 3.159 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCC(C)(C)CN2CCCC2)c1 ZINC000357944544 527224891 /nfs/dbraw/zinc/22/48/91/527224891.db2.gz MUFVRXCRXVKUDO-UHFFFAOYSA-N 0 3 299.418 3.295 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000414132809 528086339 /nfs/dbraw/zinc/08/63/39/528086339.db2.gz AZSQXIMEPCXFMM-BNOWGMLFSA-N 0 3 276.355 3.304 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000414150406 528086695 /nfs/dbraw/zinc/08/66/95/528086695.db2.gz UZADELVZBZSDHW-DFBGVHRSSA-N 0 3 276.355 3.304 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](CNC(=O)C(C)C#N)c2ccccc21 ZINC000344716730 528760687 /nfs/dbraw/zinc/76/06/87/528760687.db2.gz NHFBLCXXVUKDDL-WWGRRREGSA-N 0 3 270.376 3.189 20 30 CGEDHN CC(C)[C@H](CNCc1ccc(C#N)o1)Nc1ccccc1 ZINC000174365583 529012284 /nfs/dbraw/zinc/01/22/84/529012284.db2.gz JYVBNAFUSFNRDP-KRWDZBQOSA-N 0 3 283.375 3.378 20 30 CGEDHN C=CCN(Cc1cccc(C(=O)NCC(C)C)c1)C(C)C ZINC000727434492 571745269 /nfs/dbraw/zinc/74/52/69/571745269.db2.gz MWOHIMJTHOIIIL-UHFFFAOYSA-N 0 3 288.435 3.469 20 30 CGEDHN C=CCN1CC[C@@H](N2CCCC[C@@H]2c2ccccc2)C1=O ZINC000337181618 571822993 /nfs/dbraw/zinc/82/29/93/571822993.db2.gz BADIJCYNLCAJFE-IAGOWNOFSA-N 0 3 284.403 3.001 20 30 CGEDHN C#CCN(CCCOCC)[C@H]1CCCc2ccccc21 ZINC000746169827 571955485 /nfs/dbraw/zinc/95/54/85/571955485.db2.gz AALMYZHHYJXXLZ-SFHVURJKSA-N 0 3 271.404 3.426 20 30 CGEDHN C[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420836 572352638 /nfs/dbraw/zinc/35/26/38/572352638.db2.gz HJPOXRWGCCOIHF-SZEHBUNVSA-N 0 3 274.320 3.268 20 30 CGEDHN CN(CCOc1ccc(C#N)cc1)CCc1ccccc1F ZINC000731670948 572420953 /nfs/dbraw/zinc/42/09/53/572420953.db2.gz JCJMYVFDCADLGT-UHFFFAOYSA-N 0 3 298.361 3.251 20 30 CGEDHN CC(C#N)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740127973 572433046 /nfs/dbraw/zinc/43/30/46/572433046.db2.gz HSYSCWZWVOGZLW-NSHDSACASA-N 0 3 295.367 3.063 20 30 CGEDHN C=C(Cl)CN1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000741054598 572478883 /nfs/dbraw/zinc/47/88/83/572478883.db2.gz QOVJMKUEYZGBMK-HNNXBMFYSA-N 0 3 278.827 3.335 20 30 CGEDHN CCN(Cn1ccc(-c2ccc(C#N)cc2)n1)C1CCC1 ZINC000738054471 572618650 /nfs/dbraw/zinc/61/86/50/572618650.db2.gz KWEBZBKDFHOJNL-UHFFFAOYSA-N 0 3 280.375 3.254 20 30 CGEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1cccc1 ZINC000735207463 572707924 /nfs/dbraw/zinc/70/79/24/572707924.db2.gz RJEMNPJZFYRQBU-STQMWFEESA-N 0 3 293.326 3.457 20 30 CGEDHN CCCC=CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000735208236 572708866 /nfs/dbraw/zinc/70/88/66/572708866.db2.gz XSFUGRYAOPBHGY-OHYQPGSNSA-N 0 3 254.289 3.360 20 30 CGEDHN C=CCCCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000735491005 572725846 /nfs/dbraw/zinc/72/58/46/572725846.db2.gz ZRJUCNFFQCYINH-AWEZNQCLSA-N 0 3 282.428 3.284 20 30 CGEDHN C=CCCCN(CC)Cc1cc(OC)ccc1OC ZINC000735490688 572726504 /nfs/dbraw/zinc/72/65/04/572726504.db2.gz OFBWPRHOEBTNIJ-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C=CCCCN(C)Cn1ccc(-c2ccccc2)n1 ZINC000736589619 572800541 /nfs/dbraw/zinc/80/05/41/572800541.db2.gz KUVLLUBAGUXJQN-UHFFFAOYSA-N 0 3 255.365 3.406 20 30 CGEDHN C#CCN(CC)CCCOc1ccc(Cl)cc1 ZINC000746456884 572872055 /nfs/dbraw/zinc/87/20/55/572872055.db2.gz PTQNUVSNLCWBIB-UHFFFAOYSA-N 0 3 251.757 3.064 20 30 CGEDHN C=CC1CCN(C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000746674326 572890634 /nfs/dbraw/zinc/89/06/34/572890634.db2.gz UQIQGXZATIUBOZ-MRXNPFEDSA-N 0 3 263.356 3.066 20 30 CGEDHN CN1CCCc2cc(C=NNCc3ccccc3)ccc21 ZINC000748034907 572958405 /nfs/dbraw/zinc/95/84/05/572958405.db2.gz WBOKBJZXFPUXML-UHFFFAOYSA-N 0 3 279.387 3.193 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000980977424 613255024 /nfs/dbraw/zinc/25/50/24/613255024.db2.gz SFWADLXFBWBLII-UHFFFAOYSA-N 0 3 290.407 3.011 20 30 CGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cccs1 ZINC000968738679 613307400 /nfs/dbraw/zinc/30/74/00/613307400.db2.gz YKRDGGNAHKFNSE-AWEZNQCLSA-N 0 3 292.448 3.299 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963245450 613374481 /nfs/dbraw/zinc/37/44/81/613374481.db2.gz XWABZJAGGUOISP-HUUCEWRRSA-N 0 3 298.858 3.242 20 30 CGEDHN C=CCCN1CCCN(C(=O)C(CC)(CC)CC)CC1 ZINC000982945257 613491743 /nfs/dbraw/zinc/49/17/43/613491743.db2.gz YTRHYWBVZYRTIU-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC000968718667 613683127 /nfs/dbraw/zinc/68/31/27/613683127.db2.gz AUPDXXSCFYVDHG-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC000968991508 613685339 /nfs/dbraw/zinc/68/53/39/613685339.db2.gz ZOKXBOQJJGJQRW-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)C[C@@H]1C ZINC000948001722 613750801 /nfs/dbraw/zinc/75/08/01/613750801.db2.gz DVKZGPYYRBXOLZ-DZGCQCFKSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000941157528 613783985 /nfs/dbraw/zinc/78/39/85/613783985.db2.gz DHAYLQYOCMUTTN-HOCLYGCPSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)C[C@H]1C ZINC000947961556 613791695 /nfs/dbraw/zinc/79/16/95/613791695.db2.gz CHUOORYPLVBWHK-DOMZBBRYSA-N 0 3 292.810 3.109 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001020843518 617797702 /nfs/dbraw/zinc/79/77/02/617797702.db2.gz IVFBQJQKMSEUFJ-KBUPBQIOSA-N 0 3 298.858 3.192 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2ccccc2)cc1 ZINC000077012385 618139212 /nfs/dbraw/zinc/13/92/12/618139212.db2.gz DZWQCOGKOMPGJY-UHFFFAOYSA-N 0 3 265.356 3.331 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C3CCOCC3)C2)s1 ZINC000933084523 618142265 /nfs/dbraw/zinc/14/22/65/618142265.db2.gz HBPZPDFERSQENH-AWEZNQCLSA-N 0 3 290.432 3.258 20 30 CGEDHN C#CCC1(NCc2cc(C(F)(F)F)co2)CCC1 ZINC000933293905 618191069 /nfs/dbraw/zinc/19/10/69/618191069.db2.gz MOYPGJQIPZQQDS-UHFFFAOYSA-N 0 3 257.255 3.334 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@]1(C)Br ZINC000891605004 618241438 /nfs/dbraw/zinc/24/14/38/618241438.db2.gz VXDBRLBHKMQQQW-KBPBESRZSA-N 0 3 293.208 3.164 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934333823 618597737 /nfs/dbraw/zinc/59/77/37/618597737.db2.gz RVTQYGNKLQFPEW-OAHLLOKOSA-N 0 3 283.400 3.079 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cc(-c2ccccc2)no1 ZINC000934469733 618626779 /nfs/dbraw/zinc/62/67/79/618626779.db2.gz YWWIOXMVGDVCNJ-AWEZNQCLSA-N 0 3 254.333 3.492 20 30 CGEDHN CS[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000178882883 618711365 /nfs/dbraw/zinc/71/13/65/618711365.db2.gz NHOYAQFTGIKQGB-UWVGGRQHSA-N 0 3 274.345 3.146 20 30 CGEDHN C=C(Br)CN[C@H](C)Cc1cccc(F)c1 ZINC000162255366 618817698 /nfs/dbraw/zinc/81/76/98/618817698.db2.gz MGULWUPGBJZQKV-SNVBAGLBSA-N 0 3 272.161 3.255 20 30 CGEDHN Cc1noc(C)c1[C@H](C)CNCC#Cc1ccccc1 ZINC000893179350 619019630 /nfs/dbraw/zinc/01/96/30/619019630.db2.gz PGTQWPWXEXBGHS-CYBMUJFWSA-N 0 3 268.360 3.036 20 30 CGEDHN C#CCCN[C@@H](C)c1ccc(Br)cc1OC ZINC000309924796 619061106 /nfs/dbraw/zinc/06/11/06/619061106.db2.gz UTMWJNUYGYWSCW-JTQLQIEISA-N 0 3 282.181 3.132 20 30 CGEDHN CCOC(C)(C)C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000186944524 619073975 /nfs/dbraw/zinc/07/39/75/619073975.db2.gz ZRQYLXKJOIKFGR-LDADJPATSA-N 0 3 292.423 3.472 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000931064032 619107487 /nfs/dbraw/zinc/10/74/87/619107487.db2.gz YYNBWHXETVRLBE-AXFHLTTASA-N 0 3 299.283 3.118 20 30 CGEDHN C=C(Br)CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185219457 625320954 /nfs/dbraw/zinc/32/09/54/625320954.db2.gz ZQRNJLXXZKWJDF-QWRGUYRKSA-N 0 3 276.218 3.077 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932203973 619309670 /nfs/dbraw/zinc/30/96/70/619309670.db2.gz NQXUBCGKZQLMLG-MRXNPFEDSA-N 0 3 297.427 3.469 20 30 CGEDHN C#C[C@H](NC1CC2(C1)COC(C)(C)C2)c1ccc(F)cc1 ZINC000894575964 619579676 /nfs/dbraw/zinc/57/96/76/619579676.db2.gz XFZNCBOMCBCYIA-PQUAAJSLSA-N 0 3 287.378 3.437 20 30 CGEDHN C[C@]1(CNCC#Cc2ccccc2)CC1(Cl)Cl ZINC000894715047 619610946 /nfs/dbraw/zinc/61/09/46/619610946.db2.gz PTGUOMLNUVLQDI-CYBMUJFWSA-N 0 3 268.187 3.212 20 30 CGEDHN C[C@H](CCC#N)CN1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000895408374 619822829 /nfs/dbraw/zinc/82/28/29/619822829.db2.gz AZEJDRIRVLDFMC-CZUORRHYSA-N 0 3 280.412 3.122 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](CF)C2)cc1OC ZINC000895575998 619853296 /nfs/dbraw/zinc/85/32/96/619853296.db2.gz WRMXUZKFVATCAY-CQSZACIVSA-N 0 3 279.355 3.051 20 30 CGEDHN CC(C)(NCc1csc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000896020761 619932285 /nfs/dbraw/zinc/93/22/85/619932285.db2.gz WFQCMYXHUSZATO-HNNXBMFYSA-N 0 3 286.400 3.222 20 30 CGEDHN C#CCCOc1ccc(CN2CCSC[C@@H]2C)cc1 ZINC000179664130 620281560 /nfs/dbraw/zinc/28/15/60/620281560.db2.gz ZNFJLJARXMEMFT-AWEZNQCLSA-N 0 3 275.417 3.026 20 30 CGEDHN Cc1scc(CN2CCC3(CC2)CC(=O)C=CO3)c1C ZINC000897599537 620406896 /nfs/dbraw/zinc/40/68/96/620406896.db2.gz OVSQVYWJCIMYRP-UHFFFAOYSA-N 0 3 291.416 3.203 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC000898021905 620468292 /nfs/dbraw/zinc/46/82/92/620468292.db2.gz UYVGKORLMVNDAE-ZJUUUORDSA-N 0 3 275.318 3.129 20 30 CGEDHN C=CC(C)(C)NCc1c(C(C)C)nc2sc(C)nn12 ZINC000898458018 620590123 /nfs/dbraw/zinc/59/01/23/620590123.db2.gz VERFXGBRMOYOTL-UHFFFAOYSA-N 0 3 278.425 3.277 20 30 CGEDHN C=CC(C)(C)NCc1cnc(CC(F)(F)F)s1 ZINC000898461714 620590425 /nfs/dbraw/zinc/59/04/25/620590425.db2.gz IIRVBPNCEJJEIG-UHFFFAOYSA-N 0 3 264.316 3.302 20 30 CGEDHN CNc1ccccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000902530452 621364357 /nfs/dbraw/zinc/36/43/57/621364357.db2.gz PCDXLELQSGRYGE-GOSISDBHSA-N 0 3 277.371 3.377 20 30 CGEDHN CC(=O)C(C)=NOCc1cccc(CN2CCCCC2)c1 ZINC000902758354 621427701 /nfs/dbraw/zinc/42/77/01/621427701.db2.gz LVKVLONIVJJPHP-UHFFFAOYSA-N 0 3 288.391 3.154 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C)no1)[C@]1(C)CCCCO1 ZINC000902794661 621451852 /nfs/dbraw/zinc/45/18/52/621451852.db2.gz XTZXLIXLLOHDPE-CVEARBPZSA-N 0 3 278.396 3.367 20 30 CGEDHN C[C@@H](NC[C@H](C)Oc1ccccc1)c1cc(C#N)ccn1 ZINC000902866621 621473199 /nfs/dbraw/zinc/47/31/99/621473199.db2.gz KBNGWXCSPQQHSF-UONOGXRCSA-N 0 3 281.359 3.071 20 30 CGEDHN C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(C#N)cc1F ZINC000902966575 621501826 /nfs/dbraw/zinc/50/18/26/621501826.db2.gz XSNDOOHJHJPDLN-HWOJHCLVSA-N 0 3 296.345 3.006 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000902960915 621507462 /nfs/dbraw/zinc/50/74/62/621507462.db2.gz ZWVYTZUTOLBYFH-UNEWFSDZSA-N 0 3 287.407 3.198 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCC(C)(C)C#N)C1(C)C ZINC000903101520 621573900 /nfs/dbraw/zinc/57/39/00/621573900.db2.gz HXMDDBHLRMVPRQ-VXGBXAGGSA-N 0 3 252.402 3.108 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccccn2)C2CC2)C1 ZINC000903335467 621692480 /nfs/dbraw/zinc/69/24/80/621692480.db2.gz QCHANSPTQJIKIT-INWMFGNUSA-N 0 3 255.365 3.205 20 30 CGEDHN CN(Cc1cc(C#N)cs1)Cc1cc2c(cc1O)CCC2 ZINC000904441721 621922929 /nfs/dbraw/zinc/92/29/29/621922929.db2.gz NJROQYKMELFWIP-UHFFFAOYSA-N 0 3 298.411 3.446 20 30 CGEDHN Cc1cc(C)c(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905081832 622033405 /nfs/dbraw/zinc/03/34/05/622033405.db2.gz TWDDLEGBHVITID-FUEWVNAISA-N 0 3 267.332 3.044 20 30 CGEDHN CC1/C(=C/c2cccc(CC3CCC3)c2)C(=O)c2ncnn21 ZINC000905087085 622033744 /nfs/dbraw/zinc/03/37/44/622033744.db2.gz VMHWYEYMCVYCAW-KPENOIPVSA-N 0 3 293.370 3.462 20 30 CGEDHN CCc1cccc(Cl)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905085817 622033904 /nfs/dbraw/zinc/03/39/04/622033904.db2.gz PIDRHVZOQYUOPU-MDXIRLPMSA-N 0 3 287.750 3.335 20 30 CGEDHN CC1/C(=C/c2cscc2C(F)(F)F)C(=O)c2ncnn21 ZINC000905086932 622033915 /nfs/dbraw/zinc/03/39/15/622033915.db2.gz URDNERAGJDVCNZ-UGMXDQQYSA-N 0 3 299.277 3.199 20 30 CGEDHN C=CCC1(O)CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906594940 622257117 /nfs/dbraw/zinc/25/71/17/622257117.db2.gz FTIILMJZBBJLIK-HZPDHXFCSA-N 0 3 275.367 3.085 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1c(C)cccc1CC ZINC000911904240 622567782 /nfs/dbraw/zinc/56/77/82/622567782.db2.gz IEUSOOQBZYRDMV-CQSZACIVSA-N 0 3 260.381 3.180 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000912158635 622605443 /nfs/dbraw/zinc/60/54/43/622605443.db2.gz DUJUJYFEOYTQAS-SWLSCSKDSA-N 0 3 278.371 3.029 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000912394101 622645908 /nfs/dbraw/zinc/64/59/08/622645908.db2.gz HWQQDKWCAFKSRO-DLBZAZTESA-N 0 3 286.419 3.342 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1csc2ccccc12 ZINC000912439004 622651477 /nfs/dbraw/zinc/65/14/77/622651477.db2.gz PVIQGXXWQJCIML-AWEZNQCLSA-N 0 3 288.416 3.201 20 30 CGEDHN C#CCSCCNCc1cccc(Cl)c1Cl ZINC000164314728 622828507 /nfs/dbraw/zinc/82/85/07/622828507.db2.gz FWXARIFVXDBBGJ-UHFFFAOYSA-N 0 3 274.216 3.449 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCCC(F)(F)F)cc1 ZINC000165476477 622864082 /nfs/dbraw/zinc/86/40/82/622864082.db2.gz WAGSQAIJNLRQME-NSHDSACASA-N 0 3 271.282 3.302 20 30 CGEDHN N#CC(C(=O)CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000046440639 622969600 /nfs/dbraw/zinc/96/96/00/622969600.db2.gz RFBZCHFFGYQMDV-AWEZNQCLSA-N 0 3 289.338 3.372 20 30 CGEDHN C1CCN([C@H]2CCCCC2=NO[C@@H]2CCCCO2)CC1 ZINC000755825183 625617239 /nfs/dbraw/zinc/61/72/39/625617239.db2.gz VJBKMWVWRPFNQE-JKSUJKDBSA-N 0 3 280.412 3.314 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](C)CCCCCC)CC1 ZINC000173579144 623332260 /nfs/dbraw/zinc/33/22/60/623332260.db2.gz BAUCZLPJQXDVPT-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN COc1ccccc1C[C@H](C)N(C)Cc1cncc(C#N)c1 ZINC000929725239 623531610 /nfs/dbraw/zinc/53/16/10/623531610.db2.gz HDDNQNHBOHAUOE-AWEZNQCLSA-N 0 3 295.386 3.025 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992429671 623554458 /nfs/dbraw/zinc/55/44/58/623554458.db2.gz MQVLUYWMXZJLSQ-WDYCEAGBSA-N 0 3 298.430 3.089 20 30 CGEDHN C=CC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174788546 623775559 /nfs/dbraw/zinc/77/55/59/623775559.db2.gz NOKCDJIYWOJBOY-OAHLLOKOSA-N 0 3 265.784 3.271 20 30 CGEDHN CC(C)OCCON=C/C=C/c1ccc(N(C)C)cc1 ZINC000834981672 623843779 /nfs/dbraw/zinc/84/37/79/623843779.db2.gz VZDSBLCUWUCGGR-HPIKTWQFSA-N 0 3 276.380 3.193 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993748072 624060954 /nfs/dbraw/zinc/06/09/54/624060954.db2.gz SXXBJHVPQNPAKD-GDBMZVCRSA-N 0 3 292.467 3.358 20 30 CGEDHN C#CCCCN1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000766895093 624378816 /nfs/dbraw/zinc/37/88/16/624378816.db2.gz JDMUAIVSFRGBRE-HNNXBMFYSA-N 0 3 290.838 3.432 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](O)c1ccc(C)cc1 ZINC000237791557 624685805 /nfs/dbraw/zinc/68/58/05/624685805.db2.gz DQWIXIRPUSRUNZ-GOSISDBHSA-N 0 3 297.398 3.383 20 30 CGEDHN C=C(Br)CN[C@H]1CCCO[C@H]1CC(C)C ZINC000186312016 625785585 /nfs/dbraw/zinc/78/55/85/625785585.db2.gz RQEFBTLLCNXPJH-RYUDHWBXSA-N 0 3 276.218 3.078 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC000998980881 625824046 /nfs/dbraw/zinc/82/40/46/625824046.db2.gz PCDNHSOCPIVERQ-NFOMZHRRSA-N 0 3 296.842 3.064 20 30 CGEDHN N#CCCCCNCc1cc(C#N)ccc1Br ZINC000921684516 625830850 /nfs/dbraw/zinc/83/08/50/625830850.db2.gz VKBDJZHHVKKBAD-UHFFFAOYSA-N 0 3 292.180 3.104 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C2CCCCCCC2)CC1 ZINC001000940709 625884312 /nfs/dbraw/zinc/88/43/12/625884312.db2.gz RCICOIYAJMZGNA-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C[C@H]1Cc2cc(CNCc3ccc(C#N)c(F)c3)ccc2O1 ZINC000922168038 625978235 /nfs/dbraw/zinc/97/82/35/625978235.db2.gz JZOCQAPQXWYMSV-LBPRGKRZSA-N 0 3 296.345 3.311 20 30 CGEDHN Cc1cnc(CNC(C)(C)Cc2ccc(C#N)cc2)s1 ZINC000922603657 626019836 /nfs/dbraw/zinc/01/98/36/626019836.db2.gz MMNRJMKYQVUARX-UHFFFAOYSA-N 0 3 285.416 3.434 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCC3(CCC3)O2)c(F)c1 ZINC000922808844 626049020 /nfs/dbraw/zinc/04/90/20/626049020.db2.gz ARUASRGLEGVURY-OAHLLOKOSA-N 0 3 288.366 3.279 20 30 CGEDHN CCCCCCCCN1CCC[C@@]12CCOC2=O ZINC000186636802 626065549 /nfs/dbraw/zinc/06/55/49/626065549.db2.gz RRAAHOJIUFAGKA-HNNXBMFYSA-N 0 3 253.386 3.128 20 30 CGEDHN C#CCC1(NCc2cc(OC)c(OC)cc2Cl)CCC1 ZINC000922999892 626116470 /nfs/dbraw/zinc/11/64/70/626116470.db2.gz WDFNRSUUCBPXQK-UHFFFAOYSA-N 0 3 293.794 3.393 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2occc2C(C)C)CC1 ZINC001005869473 626120535 /nfs/dbraw/zinc/12/05/35/626120535.db2.gz KGXOFOCHEOBMGL-UHFFFAOYSA-N 0 3 290.407 3.125 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCC1 ZINC000838791711 626255567 /nfs/dbraw/zinc/25/55/67/626255567.db2.gz XREQDZLBCOWTFM-JQWIXIFHSA-N 0 3 268.316 3.440 20 30 CGEDHN N#CCCCN1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839154209 626318454 /nfs/dbraw/zinc/31/84/54/626318454.db2.gz GYTUPRWMSIVLIP-MRXNPFEDSA-N 0 3 294.345 3.014 20 30 CGEDHN CCCCCCCN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000755740133 626641290 /nfs/dbraw/zinc/64/12/90/626641290.db2.gz VYZWVIWHPZXQPO-INIZCTEOSA-N 0 3 276.424 3.376 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCCCO1)c1ccc2ccccc2n1 ZINC000756225464 626685087 /nfs/dbraw/zinc/68/50/87/626685087.db2.gz KPERZBIDNSGGJX-HUUCEWRRSA-N 0 3 294.354 3.370 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C2CC=CC2)c([O-])c1 ZINC000759641683 626910745 /nfs/dbraw/zinc/91/07/45/626910745.db2.gz FWRDNNPFDFCNPX-ATVHPVEESA-N 0 3 258.365 3.376 20 30 CGEDHN Cc1cc(N=NC2C[C@H](C)N(C)C2)ccc1Br ZINC000761810623 627062263 /nfs/dbraw/zinc/06/22/63/627062263.db2.gz BQUFBGMUZSOSFS-JTQLQIEISA-N 0 3 296.212 3.249 20 30 CGEDHN COc1ccc(CNCc2ccc(OC)c(C#N)c2)c(C)c1 ZINC000765261924 627244128 /nfs/dbraw/zinc/24/41/28/627244128.db2.gz QEVPTCFLTOKEKI-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C#CCN(CC)Cc1cccc(-c2ccccn2)c1 ZINC000769111986 627523027 /nfs/dbraw/zinc/52/30/27/627523027.db2.gz UXKPDOCBZXZNHK-UHFFFAOYSA-N 0 3 250.345 3.204 20 30 CGEDHN C[C@@H](C#N)CNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000771101323 627682868 /nfs/dbraw/zinc/68/28/68/627682868.db2.gz YCHZCTGBKOMRNN-ZXBMJOECSA-N 0 3 282.391 3.033 20 30 CGEDHN C=CCN(Cn1cnc2cc(C)c(C)cc21)C1CC1 ZINC000771640168 627724514 /nfs/dbraw/zinc/72/45/14/627724514.db2.gz LRLWKAVXJFLQPH-UHFFFAOYSA-N 0 3 255.365 3.261 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N\CC1CC[NH+](C2CC2)CC1 ZINC000772155111 627768094 /nfs/dbraw/zinc/76/80/94/627768094.db2.gz MYVPBTWNDHWKPI-WQRHYEAKSA-N 0 3 292.810 3.339 20 30 CGEDHN C#CCCCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000773276529 627870573 /nfs/dbraw/zinc/87/05/73/627870573.db2.gz WDVVLHZRAKFCNP-WMZOPIPTSA-N 0 3 298.430 3.132 20 30 CGEDHN CCCCCCCN1CCN(Cc2cccnc2)CC1 ZINC000773497939 627891049 /nfs/dbraw/zinc/89/10/49/627891049.db2.gz CUZIOVRDEYZGOU-UHFFFAOYSA-N 0 3 275.440 3.170 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cc(C)cc(Br)c1 ZINC000775183094 628067766 /nfs/dbraw/zinc/06/77/66/628067766.db2.gz HRPUZWIANDGPSK-LLVKDONJSA-N 0 3 266.182 3.211 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775269691 628076793 /nfs/dbraw/zinc/07/67/93/628076793.db2.gz IEJALLGRUOJLCZ-GJZGRUSLSA-N 0 3 284.403 3.266 20 30 CGEDHN C#C[C@H](N[C@H](C)c1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000775573795 628109934 /nfs/dbraw/zinc/10/99/34/628109934.db2.gz KHMUXNGZOAHYGU-HYVNUMGLSA-N 0 3 257.377 3.135 20 30 CGEDHN C[C@H](N[C@H](CCO)c1cccs1)c1ccc(C#N)cc1 ZINC000776163020 628172903 /nfs/dbraw/zinc/17/29/03/628172903.db2.gz MFKBXHLUXFXBLH-SWLSCSKDSA-N 0 3 286.400 3.394 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc[nH]1 ZINC000776745143 628229649 /nfs/dbraw/zinc/22/96/49/628229649.db2.gz SIEGTHJQWICISE-WDEREUQCSA-N 0 3 257.312 3.437 20 30 CGEDHN CC(C)(C)OC1CC(NCc2cc(C#N)ccc2F)C1 ZINC000779120683 628389653 /nfs/dbraw/zinc/38/96/53/628389653.db2.gz NJLBYNGUYRSNDM-UHFFFAOYSA-N 0 3 276.355 3.133 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000783878243 628754332 /nfs/dbraw/zinc/75/43/32/628754332.db2.gz SPUZFIDZPQJCFS-JTQLQIEISA-N 0 3 288.782 3.236 20 30 CGEDHN C#CCOc1ccccc1CNc1nc2ccc(F)cc2[nH]1 ZINC000784323357 628805500 /nfs/dbraw/zinc/80/55/00/628805500.db2.gz OORMNYWIVWDYKJ-UHFFFAOYSA-N 0 3 295.317 3.326 20 30 CGEDHN CC[C@H](c1ccccc1OC)N(C)CCO[C@H](C)C#N ZINC000805836587 629012212 /nfs/dbraw/zinc/01/22/12/629012212.db2.gz SXXFDPMIQOQXNZ-UKRRQHHQSA-N 0 3 276.380 3.007 20 30 CGEDHN CCCCCCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000787474256 629014225 /nfs/dbraw/zinc/01/42/25/629014225.db2.gz QXWVGSANHFUCIR-OAHLLOKOSA-N 0 3 266.429 3.090 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCCC#N ZINC000805845979 629021084 /nfs/dbraw/zinc/02/10/84/629021084.db2.gz VOKIKUIDSLOZIN-ZDUSSCGKSA-N 0 3 294.358 3.224 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(OC)c(Cl)c2)C1 ZINC000862444872 629377517 /nfs/dbraw/zinc/37/75/17/629377517.db2.gz HVTJMKOPIGXTFO-GFCCVEGCSA-N 0 3 263.768 3.194 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000862445054 629377876 /nfs/dbraw/zinc/37/78/76/629377876.db2.gz KWJFCZNUEKONPQ-GFCCVEGCSA-N 0 3 293.794 3.202 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000862445103 629378436 /nfs/dbraw/zinc/37/84/36/629378436.db2.gz LXWPFDCCQACTFO-OAHLLOKOSA-N 0 3 280.371 3.495 20 30 CGEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cnccc2C)c1 ZINC000792988182 629400016 /nfs/dbraw/zinc/40/00/16/629400016.db2.gz TXCZPWLLMMBVSV-KRWDZBQOSA-N 0 3 295.386 3.361 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793185233 629424843 /nfs/dbraw/zinc/42/48/43/629424843.db2.gz IJYKOIVFDLWWNZ-LLVKDONJSA-N 0 3 284.325 3.225 20 30 CGEDHN Cc1cc(NN=Cc2ncc(C(C)(C)C)s2)ccn1 ZINC000863159253 629484732 /nfs/dbraw/zinc/48/47/32/629484732.db2.gz JEKLNTCBMWQVHR-UHFFFAOYSA-N 0 3 274.393 3.012 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796683783 629814510 /nfs/dbraw/zinc/81/45/10/629814510.db2.gz OXNCQMWILGJEDZ-OAHLLOKOSA-N 0 3 280.412 3.086 20 30 CGEDHN N#CCC1(CNCc2cnc3ccccc3c2)CC1 ZINC000797469026 629950260 /nfs/dbraw/zinc/95/02/60/629950260.db2.gz SLJIJRDGZLAWDM-UHFFFAOYSA-N 0 3 251.333 3.018 20 30 CGEDHN CCCCCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801874654 630362462 /nfs/dbraw/zinc/36/24/62/630362462.db2.gz IJZRFYRQQAOARS-UHFFFAOYSA-N 0 3 267.413 3.374 20 30 CGEDHN C=CCCC[C@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000801873622 630362985 /nfs/dbraw/zinc/36/29/85/630362985.db2.gz WJYNWWPXVWUVAM-ZDUSSCGKSA-N 0 3 265.397 3.149 20 30 CGEDHN C[C@@H](C#N)OCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000801932618 630369311 /nfs/dbraw/zinc/36/93/11/630369311.db2.gz RSEALOGHNTUWDK-KSSFIOAISA-N 0 3 298.361 3.433 20 30 CGEDHN CCC[C@@H](NCCO[C@H](C)C#N)c1ccc(F)cc1F ZINC000801938905 630371105 /nfs/dbraw/zinc/37/11/05/630371105.db2.gz KIJACAZYMXAQKP-IAQYHMDHSA-N 0 3 282.334 3.324 20 30 CGEDHN C#CCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699519 630666557 /nfs/dbraw/zinc/66/65/57/630666557.db2.gz IIXNGIOLBMJYTO-LLVKDONJSA-N 0 3 251.757 3.418 20 30 CGEDHN C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808710236 630668321 /nfs/dbraw/zinc/66/83/21/630668321.db2.gz NOZRPQNUIIADRK-NEPJUHHUSA-N 0 3 283.799 3.189 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000809604247 630759688 /nfs/dbraw/zinc/75/96/88/630759688.db2.gz PUSQPJIVUPLFRA-ZDUSSCGKSA-N 0 3 279.339 3.247 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(F)c(COC)c2)cc1 ZINC000809613873 630762263 /nfs/dbraw/zinc/76/22/63/630762263.db2.gz GCRDEIGFGSFREB-UHFFFAOYSA-N 0 3 283.346 3.243 20 30 CGEDHN C#C[C@H](NCc1ccc(OCC=C)c(OC)c1)C(C)C ZINC000809685397 630780683 /nfs/dbraw/zinc/78/06/83/630780683.db2.gz QWXIKSDOQNDPGM-HNNXBMFYSA-N 0 3 273.376 3.007 20 30 CGEDHN C#C[C@@H](CC)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000809686791 630783241 /nfs/dbraw/zinc/78/32/41/630783241.db2.gz LHEDGDYYOCMMPH-HNNXBMFYSA-N 0 3 273.376 3.143 20 30 CGEDHN C#C[C@H](NCc1ccc2c(c1)COC(C)(C)O2)C(C)(C)C ZINC000809781723 630806245 /nfs/dbraw/zinc/80/62/45/630806245.db2.gz YSYNNOGYASUARZ-INIZCTEOSA-N 0 3 287.403 3.469 20 30 CGEDHN N#Cc1csc(CNCC2CCCCCCC2)n1 ZINC000810131163 630841331 /nfs/dbraw/zinc/84/13/31/630841331.db2.gz HTBQDLRTPQKYON-UHFFFAOYSA-N 0 3 263.410 3.465 20 30 CGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc[nH]1 ZINC000810228225 630856777 /nfs/dbraw/zinc/85/67/77/630856777.db2.gz CVNSGXNGAPNSSB-MEDUHNTESA-N 0 3 251.333 3.224 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Br)nc1 ZINC000810238215 630857819 /nfs/dbraw/zinc/85/78/19/630857819.db2.gz OJGJNLZDJUAGEG-SNVBAGLBSA-N 0 3 294.196 3.189 20 30 CGEDHN CC(C)OCCON=Cc1ccc(N2CCCCC2)cc1 ZINC000812238870 631229497 /nfs/dbraw/zinc/22/94/97/631229497.db2.gz GUAKXAHPCRBMBE-UHFFFAOYSA-N 0 3 290.407 3.452 20 30 CGEDHN C[C@H](NN=C1CCCc2ccc(N)cc21)C(C)(C)C ZINC000814937635 631691726 /nfs/dbraw/zinc/69/17/26/631691726.db2.gz NNMHMBKGTPBVNO-NSHDSACASA-N 0 3 259.397 3.333 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@H]1CNCCC1(F)F ZINC000817982167 632271366 /nfs/dbraw/zinc/27/13/66/632271366.db2.gz YTJIUAZLWLRXOJ-OLZOCXBDSA-N 0 3 260.372 3.098 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000818347990 632312217 /nfs/dbraw/zinc/31/22/17/632312217.db2.gz XOGSAGZIPVLERW-DZKIICNBSA-N 0 3 275.392 3.251 20 30 CGEDHN N#Cc1ccc(CNC2([C@H]3CCCCO3)CCC2)c(F)c1 ZINC000865857905 632921873 /nfs/dbraw/zinc/92/18/73/632921873.db2.gz ZUBNHQQJVQLOCM-MRXNPFEDSA-N 0 3 288.366 3.279 20 30 CGEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccnn1C ZINC000866615581 633215533 /nfs/dbraw/zinc/21/55/33/633215533.db2.gz VZYHLXBZBBNJDB-SUMWQHHRSA-N 0 3 294.402 3.410 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@H](N[C@H]1CCCc3scnc31)C2 ZINC000866617017 633216584 /nfs/dbraw/zinc/21/65/84/633216584.db2.gz WWYBNXJNVUXHLV-CABCVRRESA-N 0 3 295.411 3.149 20 30 CGEDHN Cc1nc([C@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)c(C)s1 ZINC000866617898 633216803 /nfs/dbraw/zinc/21/68/03/633216803.db2.gz RBECVHRKMWRJBK-QFYYESIMSA-N 0 3 297.427 3.450 20 30 CGEDHN C[C@H](NCC[C@H](O)C1CCCC1)c1ccc(C#N)cc1F ZINC000866637522 633225557 /nfs/dbraw/zinc/22/55/57/633225557.db2.gz ICIDACYGHOCKLI-SJCJKPOMSA-N 0 3 290.382 3.289 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000876570568 634860296 /nfs/dbraw/zinc/86/02/96/634860296.db2.gz GXCHFORMZLYPCX-HUUCEWRRSA-N 0 3 292.810 3.032 20 30 CGEDHN C[C@@]1(CCNCc2nc(C#N)cs2)CC1(Cl)Cl ZINC000824978704 633313997 /nfs/dbraw/zinc/31/39/97/633313997.db2.gz YUGVLGYOVZDKLM-SNVBAGLBSA-N 0 3 290.219 3.078 20 30 CGEDHN Cc1cc(C)c(CNCc2ccc(O[C@H](C)C#N)cc2)cn1 ZINC000825221629 633336875 /nfs/dbraw/zinc/33/68/75/633336875.db2.gz UPYXFZXXLHWZSH-OAHLLOKOSA-N 0 3 295.386 3.279 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCSCC1)c1ccc(F)cc1 ZINC000825955979 633392020 /nfs/dbraw/zinc/39/20/20/633392020.db2.gz VQKGBORPCNMCRL-CABCVRRESA-N 0 3 263.381 3.375 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN(C)CC2=CCSC2)cc1 ZINC000827806850 633520038 /nfs/dbraw/zinc/52/00/38/633520038.db2.gz WUPOCJPTJVPLSP-CYBMUJFWSA-N 0 3 288.416 3.082 20 30 CGEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162331 633535337 /nfs/dbraw/zinc/53/53/37/633535337.db2.gz FXPRGGIIXWAPTJ-QNWJLWSRSA-N 0 3 280.327 3.296 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2ccnc(F)c2)CC1 ZINC000831457973 633964316 /nfs/dbraw/zinc/96/43/16/633964316.db2.gz GJXDHXFYLAHLKG-AWEZNQCLSA-N 0 3 277.387 3.088 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076144 633999061 /nfs/dbraw/zinc/99/90/61/633999061.db2.gz YHSXWWDIIJEJTE-SRVKXCTJSA-N 0 3 291.326 3.467 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cc(O)ccc1F ZINC000872086775 634012113 /nfs/dbraw/zinc/01/21/13/634012113.db2.gz XOGANCCNGNSMRL-LLVKDONJSA-N 0 3 269.385 3.491 20 30 CGEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cc(O)ccc1F ZINC000872090810 634015390 /nfs/dbraw/zinc/01/53/90/634015390.db2.gz DPDAOMXNAPFNIM-ABAIWWIYSA-N 0 3 296.345 3.221 20 30 CGEDHN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(C#N)cc1F ZINC000872109656 634033885 /nfs/dbraw/zinc/03/38/85/634033885.db2.gz PMNAWWLKMANYNW-PLNCSYRRSA-N 0 3 288.366 3.306 20 30 CGEDHN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(C#N)cc1F ZINC000872109655 634034102 /nfs/dbraw/zinc/03/41/02/634034102.db2.gz PMNAWWLKMANYNW-MJFSBKNWSA-N 0 3 288.366 3.306 20 30 CGEDHN N#Cc1ccc(CN[C@]23CCC[C@H]2OCC3)c(Cl)c1 ZINC000872314782 634106985 /nfs/dbraw/zinc/10/69/85/634106985.db2.gz FEYBDCJUTNVBAH-CABCVRRESA-N 0 3 276.767 3.013 20 30 CGEDHN CCC(=NNc1ccnc(C)c1)c1cccc(OC)c1OC ZINC000872393137 634130391 /nfs/dbraw/zinc/13/03/91/634130391.db2.gz MHQXIHIJGNKKFD-UHFFFAOYSA-N 0 3 299.374 3.055 20 30 CGEDHN C#CCCCCN[C@@H](C)c1nc(Br)cs1 ZINC000834680649 634218051 /nfs/dbraw/zinc/21/80/51/634218051.db2.gz DVRKUYFZQKWUEU-VIFPVBQESA-N 0 3 287.226 3.360 20 30 CGEDHN CC(C)CN(CCC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000876530482 634851593 /nfs/dbraw/zinc/85/15/93/634851593.db2.gz SGYGKHGBVPQRRM-KRWDZBQOSA-N 0 3 285.435 3.385 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(COC(C)C)c1 ZINC000876623428 634870112 /nfs/dbraw/zinc/87/01/12/634870112.db2.gz HWOCYGDVTNSEAX-AWEZNQCLSA-N 0 3 296.798 3.020 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000876658020 634877208 /nfs/dbraw/zinc/87/72/08/634877208.db2.gz WMCVUUGTGBBQQL-GJZGRUSLSA-N 0 3 292.810 3.032 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(CCC(C)C)CC1 ZINC000876705031 634884301 /nfs/dbraw/zinc/88/43/01/634884301.db2.gz IMCFLOYUGYBWFR-CQSZACIVSA-N 0 3 286.847 3.131 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)CC(F)(F)F ZINC000877590491 635104335 /nfs/dbraw/zinc/10/43/35/635104335.db2.gz ZYVPSHCNDNGIKW-MRVPVSSYSA-N 0 3 291.704 3.285 20 30 CGEDHN C=CCOc1ccc(CNC2CSC2)cc1Cl ZINC000877635345 635125253 /nfs/dbraw/zinc/12/52/53/635125253.db2.gz NKUVLMOXKXTWHE-UHFFFAOYSA-N 0 3 269.797 3.110 20 30 CGEDHN C[C@@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)c1ccccc1[O-] ZINC000877755891 635184217 /nfs/dbraw/zinc/18/42/17/635184217.db2.gz RGUIBNRKHKYBAO-UONOGXRCSA-N 0 3 288.391 3.142 20 30 CGEDHN Clc1ccc([C@H]2CCCC(=Nn3cnnc3)C2)cc1 ZINC000841603442 635194943 /nfs/dbraw/zinc/19/49/43/635194943.db2.gz HHWKBVNUNPALSB-LBPRGKRZSA-N 0 3 274.755 3.493 20 30 CGEDHN Cc1csc([C@@H]2CCN(Cc3cc(C#N)cs3)C2)n1 ZINC000877812468 635217197 /nfs/dbraw/zinc/21/71/97/635217197.db2.gz ANBCSRHIHRSNBB-GFCCVEGCSA-N 0 3 289.429 3.374 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(F)nc1 ZINC000841894164 635249393 /nfs/dbraw/zinc/24/93/93/635249393.db2.gz OWYSJSRLXVMEHG-MRXNPFEDSA-N 0 3 281.334 3.260 20 30 CGEDHN C#C[C@@H](N[C@H](C)CCOC)c1ccc(Br)cc1 ZINC000842150589 635296506 /nfs/dbraw/zinc/29/65/06/635296506.db2.gz HDSLWSNNRZHCFK-BXUZGUMPSA-N 0 3 296.208 3.138 20 30 CGEDHN CC[C@@H](C#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842317483 635324976 /nfs/dbraw/zinc/32/49/76/635324976.db2.gz CNWUJDLXMCZYHP-INIZCTEOSA-N 0 3 286.375 3.131 20 30 CGEDHN C1C2CC1(NN=C1CCCC[C@@H]1N1CCCCCC1)C2 ZINC000842545670 635398177 /nfs/dbraw/zinc/39/81/77/635398177.db2.gz KBYDRADFKBMEEZ-WIHSUSGWSA-N 0 3 275.440 3.303 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(CO)cc2)cc1 ZINC000842895724 635508887 /nfs/dbraw/zinc/50/88/87/635508887.db2.gz PTCUDNVKKWXRPA-OAHLLOKOSA-N 0 3 295.382 3.042 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000843422099 635666960 /nfs/dbraw/zinc/66/69/60/635666960.db2.gz CAHAFVKIIPGBLP-CQSZACIVSA-N 0 3 271.408 3.009 20 30 CGEDHN CN(CC[C@@H]1CC1(Cl)Cl)[C@H]1CCC[C@@H]1C#N ZINC000879308877 635750980 /nfs/dbraw/zinc/75/09/80/635750980.db2.gz JKIKAVRHAYAKFP-MXWKQRLJSA-N 0 3 261.196 3.194 20 30 CGEDHN C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1[O-] ZINC000879648297 635825140 /nfs/dbraw/zinc/82/51/40/635825140.db2.gz IWNZTUCQRXSKOI-CQSZACIVSA-N 0 3 296.370 3.384 20 30 CGEDHN C[C@H](C#N)OCCNC1(c2ccccc2Cl)CCC1 ZINC000844351722 635876140 /nfs/dbraw/zinc/87/61/40/635876140.db2.gz PYCHZTWKYBNNHG-GFCCVEGCSA-N 0 3 278.783 3.237 20 30 CGEDHN CC(C)(O)[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000879962805 635889842 /nfs/dbraw/zinc/88/98/42/635889842.db2.gz CBEWYODCXHTFAY-OAHLLOKOSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCCC[C@H](C(=O)N1CCN2CC[C@H]1C2)c1ccccc1 ZINC000880165955 635927576 /nfs/dbraw/zinc/92/75/76/635927576.db2.gz XLCHFDFAFJIMIT-ROUUACIJSA-N 0 3 298.430 3.043 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2nccs2)C1 ZINC000880319183 635973921 /nfs/dbraw/zinc/97/39/21/635973921.db2.gz CCVWXNQHZJZMKR-AWEZNQCLSA-N 0 3 299.399 3.013 20 30 CGEDHN C#CCC1(O)CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000880484537 636008748 /nfs/dbraw/zinc/00/87/48/636008748.db2.gz ZJELBSFLLWYGKM-INIZCTEOSA-N 0 3 289.806 3.178 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000880570578 636024114 /nfs/dbraw/zinc/02/41/14/636024114.db2.gz YAINPGMXVRWWPX-INIZCTEOSA-N 0 3 282.391 3.154 20 30 CGEDHN N#CC(C(=O)C=CC1CCCCCC1)c1ccncn1 ZINC000845512898 636042968 /nfs/dbraw/zinc/04/29/68/636042968.db2.gz DYFDYEPXHLALDP-HSBSLETESA-N 0 3 269.348 3.179 20 30 CGEDHN C=CCN1CCC(Nc2cc3ccc(F)cc3cn2)CC1 ZINC000881947001 636220866 /nfs/dbraw/zinc/22/08/66/636220866.db2.gz CCQNNWONPXCSPQ-UHFFFAOYSA-N 0 3 285.366 3.436 20 30 CGEDHN C=CCC[C@H](NCc1nc(C)cs1)[C@H]1CCCO1 ZINC000883169372 636563822 /nfs/dbraw/zinc/56/38/22/636563822.db2.gz USGXIDRWZXHELR-QWHCGFSZSA-N 0 3 266.410 3.055 20 30 CGEDHN CC(C)(C)c1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000848392938 636566870 /nfs/dbraw/zinc/56/68/70/636566870.db2.gz KQKURWUWLZCGMT-AWEZNQCLSA-N 0 3 287.407 3.334 20 30 CGEDHN Fc1cccc(F)c1N=NC1CCCN2CCCC[C@@H]12 ZINC000848405866 636568234 /nfs/dbraw/zinc/56/82/34/636568234.db2.gz BNZZUYZRSLTNPN-AWEZNQCLSA-N 0 3 279.334 3.381 20 30 CGEDHN C=CCC[C@H](NCc1cc(C(C)C)no1)[C@H]1CCCO1 ZINC000883190022 636574418 /nfs/dbraw/zinc/57/44/18/636574418.db2.gz STMRVXXFKUOCFY-GOEBONIOSA-N 0 3 278.396 3.401 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccccc1Br ZINC000883389442 636732600 /nfs/dbraw/zinc/73/26/00/636732600.db2.gz QQIXDXAHSOVALJ-NEPJUHHUSA-N 0 3 298.224 3.427 20 30 CGEDHN CC1(C)CC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782521 637151980 /nfs/dbraw/zinc/15/19/80/637151980.db2.gz NHSQNAJNZYMZNY-WDEREUQCSA-N 0 3 268.316 3.440 20 30 CGEDHN C#CCC1(NCc2ccc(OC)cc2Cl)CCOCC1 ZINC000886381764 637521098 /nfs/dbraw/zinc/52/10/98/637521098.db2.gz QUGJECAUTQENMB-UHFFFAOYSA-N 0 3 293.794 3.011 20 30 CGEDHN C#CCC1(NCc2ccc(Cl)cc2F)CCOCC1 ZINC000886379371 637521494 /nfs/dbraw/zinc/52/14/94/637521494.db2.gz ZBHNWWBGXGORJZ-UHFFFAOYSA-N 0 3 281.758 3.141 20 30 CGEDHN C#CCC1(NCc2ccnc(Cl)c2Cl)CCOCC1 ZINC000886379185 637521588 /nfs/dbraw/zinc/52/15/88/637521588.db2.gz RCCMQQHVGVEDKR-UHFFFAOYSA-N 0 3 299.201 3.051 20 30 CGEDHN C#CCC1(NCc2ccc([C@@H]3C[C@H]3C)o2)CCOCC1 ZINC000886381529 637521652 /nfs/dbraw/zinc/52/16/52/637521652.db2.gz HGVGQSLXMWVIRL-UKRRQHHQSA-N 0 3 273.376 3.065 20 30 CGEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](CCC)c1ccccc1 ZINC000852098651 637592536 /nfs/dbraw/zinc/59/25/36/637592536.db2.gz RWUZQPOOVXBTTC-FUHWJXTLSA-N 0 3 286.419 3.036 20 30 CGEDHN C#C[C@](C)(CC)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000852100013 637594839 /nfs/dbraw/zinc/59/48/39/637594839.db2.gz DRDARHVJNLMXDM-IUODEOHRSA-N 0 3 260.337 3.356 20 30 CGEDHN N#CC[C@@H]1CCCN(CCOC2CCCCCC2)C1 ZINC000852319080 637632406 /nfs/dbraw/zinc/63/24/06/637632406.db2.gz GUDZHROTTBKSEA-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN Cc1ccc2c(c1)CN(Cc1ccc(OCC#N)cc1)CC2 ZINC000852403340 637645589 /nfs/dbraw/zinc/64/55/89/637645589.db2.gz CSKFUXNQJRQKGZ-UHFFFAOYSA-N 0 3 292.382 3.456 20 30 CGEDHN C=C(Br)CN(CCC1CC1)CC1CC1 ZINC000852717589 637699354 /nfs/dbraw/zinc/69/93/54/637699354.db2.gz MUZIKVRPPVEPJF-UHFFFAOYSA-N 0 3 258.203 3.407 20 30 CGEDHN C[C@@]1(C#N)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000853598810 637872122 /nfs/dbraw/zinc/87/21/22/637872122.db2.gz GNNIAHCWDCHDTL-KRWDZBQOSA-N 0 3 266.344 3.281 20 30 CGEDHN C[C@@]1(C#N)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000853598810 637872124 /nfs/dbraw/zinc/87/21/24/637872124.db2.gz GNNIAHCWDCHDTL-KRWDZBQOSA-N 0 3 266.344 3.281 20 30 CGEDHN C[C@@]1(C#N)CCN(Cc2c(O)ccc3ccccc32)C1 ZINC000853598810 637872130 /nfs/dbraw/zinc/87/21/30/637872130.db2.gz GNNIAHCWDCHDTL-KRWDZBQOSA-N 0 3 266.344 3.281 20 30 CGEDHN C#C[C@H](NCc1ccccc1C(F)(F)F)C(C)C ZINC000302411874 637899860 /nfs/dbraw/zinc/89/98/60/637899860.db2.gz SQWIKXQQFKBAFG-ZDUSSCGKSA-N 0 3 255.283 3.453 20 30 CGEDHN CC(C)Oc1ccc(CN[C@H](C)CC(C)(C)C#N)cn1 ZINC000924692470 638389511 /nfs/dbraw/zinc/38/95/11/638389511.db2.gz NGFHIHUVCPDIQH-CYBMUJFWSA-N 0 3 275.396 3.287 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cn(C)nc1Cl ZINC000856790892 638391563 /nfs/dbraw/zinc/39/15/63/638391563.db2.gz MZDUIYVGWARKNY-OAHLLOKOSA-N 0 3 289.810 3.351 20 30 CGEDHN COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000925406975 638500107 /nfs/dbraw/zinc/50/01/07/638500107.db2.gz IYTMFHCTOWAIJQ-DZGCQCFKSA-N 0 3 260.381 3.292 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925699862 638572127 /nfs/dbraw/zinc/57/21/27/638572127.db2.gz XVNZVQKQIDXAHU-APWZRJJASA-N 0 3 296.414 3.254 20 30 CGEDHN C=CCCCC[C@H](C)N1CCc2sc(CN)nc2C1 ZINC000925751278 638597315 /nfs/dbraw/zinc/59/73/15/638597315.db2.gz YLQXTTBWYXPZHT-LBPRGKRZSA-N 0 3 279.453 3.095 20 30 CGEDHN COc1ccc(F)cc1CN[C@H](C)CC(C)(C)C#N ZINC000926219302 638743843 /nfs/dbraw/zinc/74/38/43/638743843.db2.gz OSDJREGNSMJZRS-LLVKDONJSA-N 0 3 264.344 3.252 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccnn1C1CCC1 ZINC000926570836 638786985 /nfs/dbraw/zinc/78/69/85/638786985.db2.gz ZDAUGRFUTKXIDA-GFCCVEGCSA-N 0 3 260.385 3.199 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3c2nccc3Cl)C1 ZINC000926613762 638790976 /nfs/dbraw/zinc/79/09/76/638790976.db2.gz FURQERXTKSHAOP-CWSCBRNRSA-N 0 3 261.756 3.004 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](O)c2ccccc21 ZINC000926698804 638800480 /nfs/dbraw/zinc/80/04/80/638800480.db2.gz ITDREJJXBQWHDL-UGFHNGPFSA-N 0 3 258.365 3.083 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN(C)C[C@@H]1CCCCO1 ZINC000929331016 638919201 /nfs/dbraw/zinc/91/92/01/638919201.db2.gz QVPHZVXOFGKDDQ-INIZCTEOSA-N 0 3 272.392 3.176 20 30 CGEDHN N#CC1(CCCCN2CCCC[C@@H]2C2OCCO2)CCC1 ZINC000929503453 638929186 /nfs/dbraw/zinc/92/91/86/638929186.db2.gz HHJKXTIUAUXPNF-OAHLLOKOSA-N 0 3 292.423 3.078 20 30 CGEDHN CCn1cc([C@@H](C)NCc2c(C)cc(C#N)cc2C)cn1 ZINC000930657678 639047885 /nfs/dbraw/zinc/04/78/85/639047885.db2.gz UKDUPYXUKZLMNI-CQSZACIVSA-N 0 3 282.391 3.242 20 30 CGEDHN C=CCN(Cc1ccc(Br)nc1N)C(C)(C)C ZINC000931016308 639098157 /nfs/dbraw/zinc/09/81/57/639098157.db2.gz BPSGATAQTXXMMB-UHFFFAOYSA-N 0 3 298.228 3.213 20 30 CGEDHN C=CC[C@H]1CCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000859446439 639142765 /nfs/dbraw/zinc/14/27/65/639142765.db2.gz ZWZNNWLZBVTNNG-XHDPSFHLSA-N 0 3 283.774 3.411 20 30 CGEDHN N#CC1CCC(CN2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000932073642 639258897 /nfs/dbraw/zinc/25/88/97/639258897.db2.gz RDJFJDZHMMRQPZ-HTAVTVPLSA-N 0 3 292.370 3.296 20 30 CGEDHN C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000932344756 639317604 /nfs/dbraw/zinc/31/76/04/639317604.db2.gz CLYQNRTYDBMEJT-CQSZACIVSA-N 0 3 272.392 3.099 20 30 CGEDHN N#CC1(CCCCN[C@@H](c2ncccn2)C2CC2)CCC1 ZINC000932352315 639319723 /nfs/dbraw/zinc/31/97/23/639319723.db2.gz NWEJVFUVZSXLGM-OAHLLOKOSA-N 0 3 284.407 3.381 20 30 CGEDHN CC(C)CN(CCC(C)(C)C#N)Cc1ccccn1 ZINC000932449631 639335524 /nfs/dbraw/zinc/33/55/24/639335524.db2.gz QUYVDYNKJUETTM-UHFFFAOYSA-N 0 3 259.397 3.479 20 30 CGEDHN C#CCC1(NCc2nncn2-c2ccccc2)CCCCC1 ZINC000933264810 639432750 /nfs/dbraw/zinc/43/27/50/639432750.db2.gz FISCVBYTAIOLDJ-UHFFFAOYSA-N 0 3 294.402 3.083 20 30 CGEDHN C#CCC1(NCc2cc(-c3ccc(OC)cc3)no2)CCC1 ZINC000933295421 639435388 /nfs/dbraw/zinc/43/53/88/639435388.db2.gz SVOKNZCNVFQVFM-UHFFFAOYSA-N 0 3 296.370 3.386 20 30 CGEDHN N#Cc1ccc(C2CCN(CCOCC(F)F)CC2)cc1 ZINC000933612878 639469275 /nfs/dbraw/zinc/46/92/75/639469275.db2.gz SINVBQTYTTZLSX-UHFFFAOYSA-N 0 3 294.345 3.019 20 30 CGEDHN CN(CCCCCn1cccn1)Cc1cc(C#N)cs1 ZINC000933776934 639489332 /nfs/dbraw/zinc/48/93/32/639489332.db2.gz DBQONEBZDALDEF-UHFFFAOYSA-N 0 3 288.420 3.119 20 30 CGEDHN C[C@@H]1CC=CC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000934624405 639643696 /nfs/dbraw/zinc/64/36/96/639643696.db2.gz ZPQLZHNXBAJGLN-IUODEOHRSA-N 0 3 294.358 3.053 20 30 CGEDHN CCOc1ccc(CCN(C)Cc2ccc(C#N)o2)cc1 ZINC000934718121 639665721 /nfs/dbraw/zinc/66/57/21/639665721.db2.gz CURRULOKLVUGBF-UHFFFAOYSA-N 0 3 284.359 3.224 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001006461712 640336101 /nfs/dbraw/zinc/33/61/01/640336101.db2.gz HKKSVEGLEDIEJP-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974448 640727867 /nfs/dbraw/zinc/72/78/67/640727867.db2.gz CNPXBVPWMHNBRR-UHFFFAOYSA-N 0 3 281.355 3.036 20 30 CGEDHN C#CCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974448 640727875 /nfs/dbraw/zinc/72/78/75/640727875.db2.gz CNPXBVPWMHNBRR-UHFFFAOYSA-N 0 3 281.355 3.036 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001015208554 640977954 /nfs/dbraw/zinc/97/79/54/640977954.db2.gz LDOSNNLQNUMRMV-INIZCTEOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015991771 640989424 /nfs/dbraw/zinc/98/94/24/640989424.db2.gz HADWBOMXVYWQCQ-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001158228172 805929632 /nfs/dbraw/zinc/92/96/32/805929632.db2.gz XJHJVJLMIBUFSR-BZUAXINKSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C=C)cc1 ZINC001158507416 805962137 /nfs/dbraw/zinc/96/21/37/805962137.db2.gz FSWAWPLRVUUZRL-GOSISDBHSA-N 0 3 298.430 3.442 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(C)C ZINC001158667178 805982589 /nfs/dbraw/zinc/98/25/89/805982589.db2.gz KHHPHBDQLZOUOQ-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCC[C@H](O)CNC1(c2cnn(C)c2)CC1 ZINC001252136390 806021505 /nfs/dbraw/zinc/02/15/05/806021505.db2.gz PESWHALIXCMHPA-INIZCTEOSA-N 0 3 293.455 3.110 20 30 CGEDHN C=C[C@@](C)(O)CN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001252556289 806064907 /nfs/dbraw/zinc/06/49/07/806064907.db2.gz GBGDFDJUMJLIJV-HUUCEWRRSA-N 0 3 267.319 3.039 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](c1ccncc1)c1ccccc1C ZINC001252589036 806078640 /nfs/dbraw/zinc/07/86/40/806078640.db2.gz IWYODRZQHBVGCA-IEBWSBKVSA-N 0 3 296.414 3.396 20 30 CGEDHN C=CCC[C@H](O)CNCc1cc(Cl)ccc1Cl ZINC001252615250 806089154 /nfs/dbraw/zinc/08/91/54/806089154.db2.gz XYARCWPUOFXXQW-LBPRGKRZSA-N 0 3 274.191 3.410 20 30 CGEDHN C=CCC[C@@H](O)CNCc1cc(Cl)c(F)cc1F ZINC001252617886 806090367 /nfs/dbraw/zinc/09/03/67/806090367.db2.gz MQMKFYTXMHNPAU-SNVBAGLBSA-N 0 3 275.726 3.035 20 30 CGEDHN CCCCCCCCCN(C)[C@H]1CCN(C2CC2)C1=O ZINC001253304251 806203015 /nfs/dbraw/zinc/20/30/15/806203015.db2.gz SMIASRKDPZZGPY-INIZCTEOSA-N 0 3 280.456 3.432 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N(C)CC1CCCCC1 ZINC001160714300 806297756 /nfs/dbraw/zinc/29/77/56/806297756.db2.gz PQPZTXFWKYXWHP-INIZCTEOSA-N 0 3 280.456 3.489 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1ncc(SC)cc1C ZINC001160953746 806328477 /nfs/dbraw/zinc/32/84/77/806328477.db2.gz JAFCTFUSKXBXED-ZDUSSCGKSA-N 0 3 277.437 3.174 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCO2 ZINC001254654783 806477031 /nfs/dbraw/zinc/47/70/31/806477031.db2.gz AGWHDRFODMYQDA-GUTXKFCHSA-N 0 3 256.349 3.101 20 30 CGEDHN COc1ccccc1[C@H](C)N(C)[C@H]1CC[C@H](C#N)C1 ZINC001254668222 806479155 /nfs/dbraw/zinc/47/91/55/806479155.db2.gz FLRXYRSYCBCLOA-IHRRRGAJSA-N 0 3 258.365 3.380 20 30 CGEDHN N#Cc1ccccc1O[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254671434 806481010 /nfs/dbraw/zinc/48/10/10/806481010.db2.gz REKPYOGBOHBWOE-USXIJHARSA-N 0 3 295.386 3.094 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC3(CC(=O)c4ccccc43)CC2)C1 ZINC001254676557 806484542 /nfs/dbraw/zinc/48/45/42/806484542.db2.gz MECAAPPLMFUGFW-CABCVRRESA-N 0 3 294.398 3.299 20 30 CGEDHN CC[C@@H](CC#N)NCCCCCCNC(=O)OC(C)(C)C ZINC001255151903 806554758 /nfs/dbraw/zinc/55/47/58/806554758.db2.gz IZWRYGMRNQESAT-AWEZNQCLSA-N 0 3 297.443 3.353 20 30 CGEDHN CC[C@@H](CC#N)NCC1(Cc2ccccn2)CCC1 ZINC001255161365 806559228 /nfs/dbraw/zinc/55/92/28/806559228.db2.gz ZVHMPFLZYRHWGD-AWEZNQCLSA-N 0 3 257.381 3.076 20 30 CGEDHN N#CC1(c2ccccc2)CCN([C@H]2CCSC2)CC1 ZINC001255281928 806592998 /nfs/dbraw/zinc/59/29/98/806592998.db2.gz HXGRFZFOALGICM-HNNXBMFYSA-N 0 3 272.417 3.049 20 30 CGEDHN C[C@H](N)c1nc2ccccc2n1-c1cc(F)cc(CC#N)c1 ZINC001162777416 806662893 /nfs/dbraw/zinc/66/28/93/806662893.db2.gz BBKWUTIMQLNFAD-NSHDSACASA-N 0 3 294.333 3.250 20 30 CGEDHN CS[C@H]1CC[C@H](N(C)Cc2ccccc2C#N)C1 ZINC000075920842 798924137 /nfs/dbraw/zinc/92/41/37/798924137.db2.gz FCHNSAWYSOSSAM-GJZGRUSLSA-N 0 3 260.406 3.274 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(n2cccn2)CC1 ZINC000092617906 798959220 /nfs/dbraw/zinc/95/92/20/798959220.db2.gz DDDAAZBGCCXLAZ-UHFFFAOYSA-N 0 3 297.402 3.285 20 30 CGEDHN CC(C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129686565 799023047 /nfs/dbraw/zinc/02/30/47/799023047.db2.gz NSTDJECIXPXZRY-VIFPVBQESA-N 0 3 299.157 3.297 20 30 CGEDHN N#CCCc1ccc(N[C@H]2CNCc3ccsc32)cc1 ZINC001163226927 806728122 /nfs/dbraw/zinc/72/81/22/806728122.db2.gz NHLDXBGTUYMPOU-HNNXBMFYSA-N 0 3 283.400 3.461 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC2CCC1CC2)c1ccccn1 ZINC000311803737 799225685 /nfs/dbraw/zinc/22/56/85/799225685.db2.gz BWNWGRSQGHHQNZ-PQAZSJQKSA-N 0 3 254.333 3.084 20 30 CGEDHN C=CCCC[C@@H](C)NCc1nc(Br)c[nH]1 ZINC000398064965 799525969 /nfs/dbraw/zinc/52/59/69/799525969.db2.gz ITLRMJUMNOZWDW-SECBINFHSA-N 0 3 272.190 3.007 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C(CC)CC)CC1 ZINC001163510508 806772942 /nfs/dbraw/zinc/77/29/42/806772942.db2.gz LCKGMFJEAYRWAP-UHFFFAOYSA-N 0 3 286.847 3.051 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCC[C@@H]2C2CC2)n1 ZINC000695816858 799834981 /nfs/dbraw/zinc/83/49/81/799834981.db2.gz OXOZKLJMRDSKJO-CHWSQXEVSA-N 0 3 261.394 3.073 20 30 CGEDHN COc1ccc(CN[C@@H](C)CC(C)(C)C#N)c(OC)c1 ZINC000695842813 799835966 /nfs/dbraw/zinc/83/59/66/799835966.db2.gz MPTVGJWNCCNAQC-LBPRGKRZSA-N 0 3 276.380 3.122 20 30 CGEDHN C[C@@]1(C(F)(F)F)CCN(Cc2ccc(C#N)cc2)C1 ZINC000708718225 799993492 /nfs/dbraw/zinc/99/34/92/799993492.db2.gz FPNHWAYPVVLHHK-CYBMUJFWSA-N 0 3 268.282 3.333 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000894216480 800577252 /nfs/dbraw/zinc/57/72/52/800577252.db2.gz CSPHKYDATSNOJU-WFASDCNBSA-N 0 3 281.783 3.116 20 30 CGEDHN COC(C)(C)[C@@H](C)NCc1cc(Cl)ccc1OCC#N ZINC000932367883 800659302 /nfs/dbraw/zinc/65/93/02/800659302.db2.gz BNYNIRJCQBXJFF-LLVKDONJSA-N 0 3 296.798 3.145 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1CCC ZINC001028018196 800828954 /nfs/dbraw/zinc/82/89/54/800828954.db2.gz OXUYOQUOKGBECG-INIZCTEOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001028100461 800831036 /nfs/dbraw/zinc/83/10/36/800831036.db2.gz FEEJQINRNCMTPL-MRXNPFEDSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)c1 ZINC001032717027 800935083 /nfs/dbraw/zinc/93/50/83/800935083.db2.gz NSVZVUWOQBYGFR-ROUUACIJSA-N 0 3 298.430 3.285 20 30 CGEDHN Cc1cc2[nH]ccc2c(N(CCC#N)Cc2cccnc2)n1 ZINC001164007100 806874264 /nfs/dbraw/zinc/87/42/64/806874264.db2.gz SDKQQWBRUQYYRH-UHFFFAOYSA-N 0 3 291.358 3.187 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033693085 800974661 /nfs/dbraw/zinc/97/46/61/800974661.db2.gz OPPXOWATPKKMSO-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034421337 801025758 /nfs/dbraw/zinc/02/57/58/801025758.db2.gz XZBAMXPLWRGFGL-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2CCCCN(CC(=C)C)C2)cc1 ZINC001034419794 801026214 /nfs/dbraw/zinc/02/62/14/801026214.db2.gz RFHITWVDYXLWBR-SFHVURJKSA-N 0 3 298.430 3.490 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001034420509 801026593 /nfs/dbraw/zinc/02/65/93/801026593.db2.gz UMLMJIFTGKTVQW-KRWDZBQOSA-N 0 3 284.403 3.100 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498085 801030907 /nfs/dbraw/zinc/03/09/07/801030907.db2.gz HUQIXDALBAEISC-ULQDDVLXSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001038644048 801130974 /nfs/dbraw/zinc/13/09/74/801130974.db2.gz OWAKZZQVXJRUAT-KRWDZBQOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001038737347 801131721 /nfs/dbraw/zinc/13/17/21/801131721.db2.gz YZCHLZGRIGELPK-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001039392909 801160008 /nfs/dbraw/zinc/16/00/08/801160008.db2.gz KANQUDLBPGKYGW-UAGQMJEPSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001039373858 801160625 /nfs/dbraw/zinc/16/06/25/801160625.db2.gz RHUSICJEPZZUHL-SJORKVTESA-N 0 3 288.435 3.128 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C)CCCCC3)C[C@@H]21 ZINC001042217265 801202950 /nfs/dbraw/zinc/20/29/50/801202950.db2.gz WMALXBFLPIPYTB-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046792086 801325791 /nfs/dbraw/zinc/32/57/91/801325791.db2.gz BNOKWOCOHLGGDL-SFHVURJKSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001046867272 801331506 /nfs/dbraw/zinc/33/15/06/801331506.db2.gz YDFICIDMNGETGU-SFHVURJKSA-N 0 3 292.467 3.360 20 30 CGEDHN CC(=O)C=C(C)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256521592 806909372 /nfs/dbraw/zinc/90/93/72/806909372.db2.gz APNZKVROCTUVKT-IRELMECMSA-N 0 3 286.419 3.122 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccccc2C)CC[C@@H]1C ZINC001071319762 801528815 /nfs/dbraw/zinc/52/88/15/801528815.db2.gz UQFANJBKUFHOCW-JKSUJKDBSA-N 0 3 286.419 3.154 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071491148 801540140 /nfs/dbraw/zinc/54/01/40/801540140.db2.gz XHRBQOSPJIECGB-NWDGAFQWSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071488129 801540614 /nfs/dbraw/zinc/54/06/14/801540614.db2.gz PUPQSUUOIKTHHQ-CZUORRHYSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001080098250 801650182 /nfs/dbraw/zinc/65/01/82/801650182.db2.gz LLOKKJQMOXQFSM-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085550158 801693354 /nfs/dbraw/zinc/69/33/54/801693354.db2.gz MLHFFVXUZQQKSJ-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085718996 801701864 /nfs/dbraw/zinc/70/18/64/801701864.db2.gz HAKGQDOWQIFECP-BZUAXINKSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001086797153 801734842 /nfs/dbraw/zinc/73/48/42/801734842.db2.gz XRNSKALVETWQOQ-GBJTYRQASA-N 0 3 298.858 3.050 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)[C@@H]2C)cc1 ZINC001088874159 801810770 /nfs/dbraw/zinc/81/07/70/801810770.db2.gz NSRNWZGOHVEYEU-PBHICJAKSA-N 0 3 284.403 3.098 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H]1C ZINC001089020629 801817673 /nfs/dbraw/zinc/81/76/73/801817673.db2.gz VHGCJHSAIZHZPE-MNOVXSKESA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cccc1C)C2 ZINC001097906393 801905071 /nfs/dbraw/zinc/90/50/71/801905071.db2.gz MTZFUORLFDGTJY-ZACQAIPSSA-N 0 3 298.430 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001099121641 801929051 /nfs/dbraw/zinc/92/90/51/801929051.db2.gz MXDJHFPFVASCON-CABCVRRESA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001099094054 801929107 /nfs/dbraw/zinc/92/91/07/801929107.db2.gz WNUHJJOJTCTPDX-OAHLLOKOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CC)CC1 ZINC001099219853 801933915 /nfs/dbraw/zinc/93/39/15/801933915.db2.gz FKMOQJULGAIPQZ-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](CC)CCC)C1 ZINC001100798235 801965395 /nfs/dbraw/zinc/96/53/95/801965395.db2.gz VRJRMHVZZLQKBG-ROKHWSDSSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(=C)Cl)C2 ZINC001109335033 802112907 /nfs/dbraw/zinc/11/29/07/802112907.db2.gz FRYSBPOMZANCFW-RDBSUJKOSA-N 0 3 296.842 3.063 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCCC)CC1)C2 ZINC001109680375 802123301 /nfs/dbraw/zinc/12/33/01/802123301.db2.gz FSNNBLVGNIELJU-PMPSAXMXSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001112686083 802183821 /nfs/dbraw/zinc/18/38/21/802183821.db2.gz OQWWLLXPYNWSQF-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC2=CCCCC2)CC1 ZINC001112696152 802186668 /nfs/dbraw/zinc/18/66/68/802186668.db2.gz OZBMMNVREJWFMZ-MRXNPFEDSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCC1(C(=O)N2CCN(CC(CC)CC)CC2)CCC1 ZINC001113313864 802215165 /nfs/dbraw/zinc/21/51/65/802215165.db2.gz AQGBZZAXMPJLHP-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCCCC)CC1 ZINC001113603750 802229931 /nfs/dbraw/zinc/22/99/31/802229931.db2.gz AZXQIBNPHIQLLQ-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256791956 806979185 /nfs/dbraw/zinc/97/91/85/806979185.db2.gz GLHPCBJLMKDYQR-PMPSAXMXSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCO[C@H]1CCN(CCSc2ccccc2F)C1 ZINC001116542448 802374104 /nfs/dbraw/zinc/37/41/04/802374104.db2.gz SFYUCKSVHNPCSR-ZDUSSCGKSA-N 0 3 281.396 3.195 20 30 CGEDHN N#CC1(CN[C@H](Cc2cccnc2)C2CCCC2)CC1 ZINC001119260538 802639983 /nfs/dbraw/zinc/63/99/83/802639983.db2.gz CLXSBKMQYTXYOO-MRXNPFEDSA-N 0 3 269.392 3.076 20 30 CGEDHN C=CCCCC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121663816 802840727 /nfs/dbraw/zinc/84/07/27/802840727.db2.gz QYSCBBXEHAZWQS-UHFFFAOYSA-N 0 3 296.842 3.112 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC=C)Cc1ccccc1F ZINC001121933916 802852023 /nfs/dbraw/zinc/85/20/23/802852023.db2.gz YLXBEEYNAKOOEI-MRXNPFEDSA-N 0 3 290.382 3.024 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)c1c(C)noc1C ZINC001121961056 802854113 /nfs/dbraw/zinc/85/41/13/802854113.db2.gz ZLHSKVUMVOBBOB-AWEZNQCLSA-N 0 3 295.427 3.332 20 30 CGEDHN C[C@@H]1CCC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123383088 802938885 /nfs/dbraw/zinc/93/88/85/802938885.db2.gz ZBFOVIPPFJIPSE-SCVCMEIPSA-N 0 3 278.302 3.362 20 30 CGEDHN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001123475655 802947944 /nfs/dbraw/zinc/94/79/44/802947944.db2.gz GFYLWWHWVCQYNW-YUSALJHKSA-N 0 3 278.302 3.362 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001132071479 803371056 /nfs/dbraw/zinc/37/10/56/803371056.db2.gz BDFAIMFAKSOFNA-HZPDHXFCSA-N 0 3 278.440 3.278 20 30 CGEDHN C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132228290 803384100 /nfs/dbraw/zinc/38/41/00/803384100.db2.gz OMWRYXGDVCZJBX-SJORKVTESA-N 0 3 290.451 3.115 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CC(=C)C)C2)CCC1 ZINC001132283478 803392764 /nfs/dbraw/zinc/39/27/64/803392764.db2.gz XXHNMPKLPQXPRZ-HZPDHXFCSA-N 0 3 290.451 3.278 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4cccnc43)CCC2S1 ZINC001137173441 803693209 /nfs/dbraw/zinc/69/32/09/803693209.db2.gz VPOPMHFNONFWLF-HNNXBMFYSA-N 0 3 296.395 3.009 20 30 CGEDHN N#CCc1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245423892 803732577 /nfs/dbraw/zinc/73/25/77/803732577.db2.gz QBDMPCDWJPRERZ-SFHVURJKSA-N 0 3 282.387 3.021 20 30 CGEDHN COc1ccc2[nH]cc(CN3CCC[C@@H](CC#N)C3)c2c1 ZINC001138510466 803954841 /nfs/dbraw/zinc/95/48/41/803954841.db2.gz DULXIECUKBFXJT-ZDUSSCGKSA-N 0 3 283.375 3.302 20 30 CGEDHN COc1ccc2[nH]cc(CN3CCC(C)(C#N)CC3)c2c1 ZINC001138509954 803956054 /nfs/dbraw/zinc/95/60/54/803956054.db2.gz JUGOZUSIGHRCTD-UHFFFAOYSA-N 0 3 283.375 3.302 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001138556097 803966039 /nfs/dbraw/zinc/96/60/39/803966039.db2.gz FNQXWXGVIZBAKE-HNNXBMFYSA-N 0 3 297.320 3.268 20 30 CGEDHN C#CCOc1ccc(CN2CCC(C)(F)CC2)cc1 ZINC001138556236 803966223 /nfs/dbraw/zinc/96/62/23/803966223.db2.gz LIWIPQYOWKNPRL-UHFFFAOYSA-N 0 3 261.340 3.023 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1[O-] ZINC001138627868 803985929 /nfs/dbraw/zinc/98/59/29/803985929.db2.gz HJKKTMWXQNOKJT-AWEZNQCLSA-N 0 3 270.376 3.246 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1[O-] ZINC001138627868 803985936 /nfs/dbraw/zinc/98/59/36/803985936.db2.gz HJKKTMWXQNOKJT-AWEZNQCLSA-N 0 3 270.376 3.246 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCCOC(C)(C)C2)c1[O-] ZINC001138627807 803986014 /nfs/dbraw/zinc/98/60/14/803986014.db2.gz FWVZHDZHDQOSEH-UHFFFAOYSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCCOC(C)(C)C2)c1[O-] ZINC001138627807 803986021 /nfs/dbraw/zinc/98/60/21/803986021.db2.gz FWVZHDZHDQOSEH-UHFFFAOYSA-N 0 3 275.392 3.122 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC[C@@H](OC)C1 ZINC001138663373 803996277 /nfs/dbraw/zinc/99/62/77/803996277.db2.gz UEBOXAADTWKKNB-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN CCC(=O)Oc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001138966189 804092494 /nfs/dbraw/zinc/09/24/94/804092494.db2.gz KBBFXBDHUOIMIF-CQSZACIVSA-N 0 3 286.375 3.128 20 30 CGEDHN CC(C)(C)N1CCN(Cc2cccc(Cl)c2C#N)CC1 ZINC001139691955 804255772 /nfs/dbraw/zinc/25/57/72/804255772.db2.gz LBLLFMSPTZGGKW-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN CN(Cc1ccc(C#N)nc1)[C@H]1CCc2ccccc21 ZINC001140547678 804458287 /nfs/dbraw/zinc/45/82/87/804458287.db2.gz ZPPVTHPSEFWYBT-KRWDZBQOSA-N 0 3 263.344 3.073 20 30 CGEDHN CN(CCc1cccc(Cl)c1)Cc1ccc(C#N)nc1 ZINC001140544296 804458824 /nfs/dbraw/zinc/45/88/24/804458824.db2.gz IQJQPGVCUFHZER-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN N#Cc1c(F)cc(CN2C[C@@H]3CCCC[C@@H]3C2)cc1F ZINC001140752521 804505278 /nfs/dbraw/zinc/50/52/78/804505278.db2.gz LOBAHUIZZFBXQR-BETUJISGSA-N 0 3 276.330 3.458 20 30 CGEDHN N#Cc1c(N)sc(CN2C[C@H]3CCCC[C@@H]3C2)c1Cl ZINC001141107034 804590527 /nfs/dbraw/zinc/59/05/27/804590527.db2.gz NKQAQBDUDTXJLK-NXEZZACHSA-N 0 3 295.839 3.477 20 30 CGEDHN CCCCCCCCNC(=S)N(CC)CCN(C)C ZINC001247129021 804666777 /nfs/dbraw/zinc/66/67/77/804666777.db2.gz YNULGHVTKPSAOF-UHFFFAOYSA-N 0 3 287.517 3.105 20 30 CGEDHN C=CCCCCN(C)Cc1cnc2ccc(Cl)nn12 ZINC001142999920 804793206 /nfs/dbraw/zinc/79/32/06/804793206.db2.gz QEAAIPIZEOKGDP-UHFFFAOYSA-N 0 3 278.787 3.171 20 30 CGEDHN Cc1c(F)cc(F)cc1CN1CCC2SC(=O)C=C2C1 ZINC001143761717 804892988 /nfs/dbraw/zinc/89/29/88/804892988.db2.gz RQWYWWADEBKORF-CQSZACIVSA-N 0 3 295.354 3.047 20 30 CGEDHN C#Cc1ccc(CN2CCC(Oc3ccccn3)CC2)cc1 ZINC001144573477 805009167 /nfs/dbraw/zinc/00/91/67/805009167.db2.gz LFKMBZZTFXUTAN-UHFFFAOYSA-N 0 3 292.382 3.106 20 30 CGEDHN SC1CCN(Cc2ccc3scnc3c2)CC1 ZINC001144738657 805046986 /nfs/dbraw/zinc/04/69/86/805046986.db2.gz FNCUOZVLJPCWMU-UHFFFAOYSA-N 0 3 264.419 3.191 20 30 CGEDHN N#Cc1ccn2ncc(CN3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC001249107066 805090947 /nfs/dbraw/zinc/09/09/47/805090947.db2.gz QBWQVXBBLXIAJK-WBVHZDCISA-N 0 3 294.402 3.361 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CCCCC(C)(C)C)C2)C1 ZINC001147610712 805140292 /nfs/dbraw/zinc/14/02/92/805140292.db2.gz KXVREWBOKHEFLU-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001153625630 805408710 /nfs/dbraw/zinc/40/87/10/805408710.db2.gz BBYYHJRHNOVTBZ-CQSZACIVSA-N 0 3 294.464 3.431 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](CC)CCCC ZINC001154385631 805453405 /nfs/dbraw/zinc/45/34/05/805453405.db2.gz OMEFOVJWUHGPQF-IAGOWNOFSA-N 0 3 294.483 3.443 20 30 CGEDHN CN(C)Cc1ccccc1Nc1ccc(OCC#N)cc1 ZINC001212610203 815084888 /nfs/dbraw/zinc/08/48/88/815084888.db2.gz HFGGRBGTACRONK-UHFFFAOYSA-N 0 3 281.359 3.394 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN([C@H]2CCOC2)CC1 ZINC001258045268 807274137 /nfs/dbraw/zinc/27/41/37/807274137.db2.gz YQDHCWLKLKLBNH-IRXDYDNUSA-N 0 3 282.472 3.142 20 30 CGEDHN CCCCCCC[C@@H](C)N1Cc2ccnn2CC[C@H]1CO ZINC001258050768 807277077 /nfs/dbraw/zinc/27/70/77/807277077.db2.gz XTYRYBZKFVRRLR-WBVHZDCISA-N 0 3 293.455 3.199 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN2C(=O)CC[C@@H]2C1 ZINC001258050492 807277214 /nfs/dbraw/zinc/27/72/14/807277214.db2.gz WAGZKNGGPFJMRQ-LSDHHAIUSA-N 0 3 266.429 3.042 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N1CCC[C@H](CC#N)C1 ZINC001168492382 807434959 /nfs/dbraw/zinc/43/49/59/807434959.db2.gz RBPWRLZXYFQAJB-UONOGXRCSA-N 0 3 260.356 3.382 20 30 CGEDHN CCCC1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001258528245 807484912 /nfs/dbraw/zinc/48/49/12/807484912.db2.gz JEFCMRYPGDELOI-UHFFFAOYSA-N 0 3 263.360 3.285 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2Cc3cccc(Cl)c3C2)o1 ZINC001168705808 807491884 /nfs/dbraw/zinc/49/18/84/807491884.db2.gz XDRDEQPLKWBGDY-LLVKDONJSA-N 0 3 272.735 3.062 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001258733465 807578984 /nfs/dbraw/zinc/57/89/84/807578984.db2.gz DVILIGFXNIZVFS-OAHLLOKOSA-N 0 3 287.407 3.191 20 30 CGEDHN C=CCC[C@@H](C)n1nc(C(F)(F)F)c2c1CCNC2 ZINC001258732999 807579198 /nfs/dbraw/zinc/57/91/98/807579198.db2.gz SUJUNCHDFSUEEY-SECBINFHSA-N 0 3 273.302 3.075 20 30 CGEDHN C=CCC[C@H](C)n1nc(C(F)(F)F)c2c1CCNC2 ZINC001258733000 807579317 /nfs/dbraw/zinc/57/93/17/807579317.db2.gz SUJUNCHDFSUEEY-VIFPVBQESA-N 0 3 273.302 3.075 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@](C)(CC)CCC ZINC001169336700 807629261 /nfs/dbraw/zinc/62/92/61/807629261.db2.gz JYBYCRRXPURLLD-CQSZACIVSA-N 0 3 274.836 3.051 20 30 CGEDHN NCc1ccc2c(n1)N(c1ccc(CS)cc1)CCC2 ZINC001169590790 807672913 /nfs/dbraw/zinc/67/29/13/807672913.db2.gz NYFHUCHRWSJYSD-UHFFFAOYSA-N 0 3 285.416 3.054 20 30 CGEDHN C=CCN(CCOC)Cc1cc(Br)ccc1C ZINC001169901016 807721801 /nfs/dbraw/zinc/72/18/01/807721801.db2.gz PTWGZFHTGPFPHH-UHFFFAOYSA-N 0 3 298.224 3.392 20 30 CGEDHN C[C@@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)[C@H](C)CO1 ZINC001170396056 807834505 /nfs/dbraw/zinc/83/45/05/807834505.db2.gz UGNOMIUIIRESNQ-FDCMFXBMSA-N 0 3 298.430 3.500 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171105046 807984879 /nfs/dbraw/zinc/98/48/79/807984879.db2.gz NRANKAALRWAURF-AWEZNQCLSA-N 0 3 260.768 3.091 20 30 CGEDHN N=C(Nc1cccc(O)c1)c1ccc2cc(O)ccc2c1 ZINC001171187018 808003562 /nfs/dbraw/zinc/00/35/62/808003562.db2.gz ZQUAFRAFUFXXCA-UHFFFAOYSA-N 0 3 278.311 3.288 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001263816602 808007633 /nfs/dbraw/zinc/00/76/33/808007633.db2.gz FKCOWVZNGNNKHB-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN Cc1nc2c(s1)CN([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171220672 808010376 /nfs/dbraw/zinc/01/03/76/808010376.db2.gz AUEZSXMASLRYIG-LBPRGKRZSA-N 0 3 297.427 3.313 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)Nc1cccc(CN)n1 ZINC001171376159 808038840 /nfs/dbraw/zinc/03/88/40/808038840.db2.gz OXYNMKGBRUDTSI-ZDUSSCGKSA-N 0 3 283.375 3.278 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)CC(C)C)[C@H]1C ZINC001264168011 808043320 /nfs/dbraw/zinc/04/33/20/808043320.db2.gz JLZYPMJNHCLYHT-OAGGEKHMSA-N 0 3 280.456 3.214 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC001264179277 808045002 /nfs/dbraw/zinc/04/50/02/808045002.db2.gz PBKAOEGTPKTIMX-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C[Si](C)(C)C#C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001171403060 808047535 /nfs/dbraw/zinc/04/75/35/808047535.db2.gz YALFWAWTFMEHGY-UHFFFAOYSA-N 0 3 269.420 3.473 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001265705856 808172155 /nfs/dbraw/zinc/17/21/55/808172155.db2.gz NWLKGIFFOMSWLI-QPJKDDTCSA-N 0 3 298.858 3.168 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC2(C1)C[C@@H](F)CS2 ZINC001172310929 808222978 /nfs/dbraw/zinc/22/29/78/808222978.db2.gz LUEIFLRJRFKJPE-IUODEOHRSA-N 0 3 290.407 3.019 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@](C)(F)C1 ZINC001172314262 808224622 /nfs/dbraw/zinc/22/46/22/808224622.db2.gz IIIGKJGCCKYNBT-BBRMVZONSA-N 0 3 260.356 3.313 20 30 CGEDHN C=CCCCN1CCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001266252679 808233782 /nfs/dbraw/zinc/23/37/82/808233782.db2.gz YHOMPZNYNBICNQ-LBPRGKRZSA-N 0 3 296.411 3.048 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@H]1CCC(C)=C(C)C1)C1CC1 ZINC001266594772 808293205 /nfs/dbraw/zinc/29/32/05/808293205.db2.gz RMTZGKZJAITEDZ-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001266803497 808317509 /nfs/dbraw/zinc/31/75/09/808317509.db2.gz IBALDAGASHHHAZ-CYBMUJFWSA-N 0 3 292.398 3.147 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](CC)CCC ZINC001266857570 808325261 /nfs/dbraw/zinc/32/52/61/808325261.db2.gz NGAJKOZZMXGAMW-CVEARBPZSA-N 0 3 280.456 3.360 20 30 CGEDHN COc1ccc(F)c(F)c1CN[C@@H](C)CCCC#N ZINC001172483288 808344599 /nfs/dbraw/zinc/34/45/99/808344599.db2.gz OJXBZWXESBYISZ-JTQLQIEISA-N 0 3 268.307 3.145 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001267320640 808413215 /nfs/dbraw/zinc/41/32/15/808413215.db2.gz QLAOULILYPMKBL-SJORKVTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN(CCNC(=O)c1ccc(C2CCC2)cc1)C1CC1 ZINC001267325205 808415849 /nfs/dbraw/zinc/41/58/49/808415849.db2.gz ABTSZRYBEUCCLZ-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C/CC ZINC001267417773 808425065 /nfs/dbraw/zinc/42/50/65/808425065.db2.gz MLTUXCXINKERRG-COAGQGPPSA-N 0 3 290.451 3.230 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001267753788 808483701 /nfs/dbraw/zinc/48/37/01/808483701.db2.gz MWYMQWWVMBRHGN-NWDGAFQWSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267778225 808489784 /nfs/dbraw/zinc/48/97/84/808489784.db2.gz YAYGXVNYWJUBAA-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCNCCN(CC)C(=O)[C@H](CC)CC1CCCCC1 ZINC001268482308 808592841 /nfs/dbraw/zinc/59/28/41/808592841.db2.gz PBTMUIHJHYEENM-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN CCCCCCCC[C@@H](CCC)N1CCO[C@@H](C(N)=O)C1 ZINC001173309698 808606470 /nfs/dbraw/zinc/60/64/70/808606470.db2.gz JSAPXVPIVGQTSB-HZPDHXFCSA-N 0 3 298.471 3.092 20 30 CGEDHN C=CCOC1CCC(NC2(c3ccccc3)COC2)CC1 ZINC001173315480 808609220 /nfs/dbraw/zinc/60/92/20/808609220.db2.gz NOYKJXAZIQVDOH-UHFFFAOYSA-N 0 3 287.403 3.016 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001268958397 808638016 /nfs/dbraw/zinc/63/80/16/808638016.db2.gz JIQMWQNSXUQQML-MRXNPFEDSA-N 0 3 298.858 3.314 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001269357038 808673472 /nfs/dbraw/zinc/67/34/72/808673472.db2.gz XEMFEQKENDTMCN-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001270642786 808741758 /nfs/dbraw/zinc/74/17/58/808741758.db2.gz OGMNMVPZVBURLT-QAPCUYQASA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)CC(C1CCC1)C1CCC1 ZINC001272111001 808798017 /nfs/dbraw/zinc/79/80/17/808798017.db2.gz JZCLWZOIOJVNHP-UHFFFAOYSA-N 0 3 292.467 3.169 20 30 CGEDHN C#CCCCCC(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001275099849 808908168 /nfs/dbraw/zinc/90/81/68/808908168.db2.gz AFVXXQFEJPDZNW-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=CCCCCCCCCCN1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001276435744 809008696 /nfs/dbraw/zinc/00/86/96/809008696.db2.gz LUDDVZANHBFAEP-HDICACEKSA-N 0 3 294.483 3.308 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1(C)CCCC1 ZINC001277257347 809066662 /nfs/dbraw/zinc/06/66/62/809066662.db2.gz YUFBMQBVFGHUGW-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN Cc1cnccc1Nc1ccc(C#N)c(Cl)c1C ZINC001174538494 809070348 /nfs/dbraw/zinc/07/03/48/809070348.db2.gz HMENYRFGBJGCBP-UHFFFAOYSA-N 0 3 257.724 3.389 20 30 CGEDHN CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)N2CCC#N ZINC001277936238 809107575 /nfs/dbraw/zinc/10/75/75/809107575.db2.gz BZTZXFCNZUJPNN-YESZJQIVSA-N 0 3 277.456 3.265 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C=C)CC)cc1 ZINC001280354362 809186048 /nfs/dbraw/zinc/18/60/48/809186048.db2.gz OCZHLAZJCUGFQN-CVEARBPZSA-N 0 3 298.430 3.189 20 30 CGEDHN CC#CCN1CC[C@@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001281555187 809215622 /nfs/dbraw/zinc/21/56/22/809215622.db2.gz FRYZOTRSPQYNDZ-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)CCC)[C@@H]1C ZINC001284133094 809298341 /nfs/dbraw/zinc/29/83/41/809298341.db2.gz UGRQZNPQDBUAFH-GJZGRUSLSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CC[C@H](C)C1)C(C)C ZINC001284544807 809307542 /nfs/dbraw/zinc/30/75/42/809307542.db2.gz PKKAXGXFDOMZPK-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(CC(C)C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001298764467 809539135 /nfs/dbraw/zinc/53/91/35/809539135.db2.gz ZOFCPDGELKLSAA-MRXNPFEDSA-N 0 3 288.435 3.225 20 30 CGEDHN N#Cc1ccc(Nc2ncc[nH]2)c(C(F)(F)F)c1 ZINC001176084492 809619371 /nfs/dbraw/zinc/61/93/71/809619371.db2.gz NSMRUBSOGDPEDF-UHFFFAOYSA-N 0 3 252.199 3.044 20 30 CGEDHN C=CCn1cc(Nc2ccnc(C3CCC3)c2)cn1 ZINC001176546263 809713894 /nfs/dbraw/zinc/71/38/94/809713894.db2.gz QITWSEDLYJENRA-UHFFFAOYSA-N 0 3 254.337 3.475 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1(C)CCC(C)CC1 ZINC001177201883 809787396 /nfs/dbraw/zinc/78/73/96/809787396.db2.gz QOFODDBBHDGIAO-UHFFFAOYSA-N 0 3 286.847 3.051 20 30 CGEDHN N#Cc1cc(CNC/C=C\c2ccccc2)cs1 ZINC001178327070 809860499 /nfs/dbraw/zinc/86/04/99/809860499.db2.gz XVNHPYMBCZDZOR-DAXSKMNVSA-N 0 3 254.358 3.423 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(COC)cc2)c1 ZINC001178949292 809896015 /nfs/dbraw/zinc/89/60/15/809896015.db2.gz FPTSNLGPNDPQFR-UHFFFAOYSA-N 0 3 265.356 3.104 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(=O)[nH]c1 ZINC001181410940 810050672 /nfs/dbraw/zinc/05/06/72/810050672.db2.gz UNVDJLRWSUPVRK-UHFFFAOYSA-N 0 3 268.360 3.366 20 30 CGEDHN CCCCCCN(O)C(=O)c1cccc(CN(C)C)c1 ZINC001184305253 810190121 /nfs/dbraw/zinc/19/01/21/810190121.db2.gz BHSJASPVLRKVCV-UHFFFAOYSA-N 0 3 278.396 3.160 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001185056944 810231764 /nfs/dbraw/zinc/23/17/64/810231764.db2.gz WMEFITXMXCJJOZ-UKRRQHHQSA-N 0 3 292.448 3.041 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193479726 810893858 /nfs/dbraw/zinc/89/38/58/810893858.db2.gz ZURULXRHXKGFRI-HUUCEWRRSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001196880093 811375576 /nfs/dbraw/zinc/37/55/76/811375576.db2.gz GRYGGEQYZSTDGC-MRXNPFEDSA-N 0 3 298.446 3.263 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCCCC)C12CCC2 ZINC001202459345 812098372 /nfs/dbraw/zinc/09/83/72/812098372.db2.gz OIXUVYAUPBUEHG-KGLIPLIRSA-N 0 3 298.858 3.336 20 30 CGEDHN C#CC1(NCc2cc(Cl)c3c(c2)OCCO3)CCCC1 ZINC001203470892 812372515 /nfs/dbraw/zinc/37/25/15/812372515.db2.gz KSZCVNICLFAOCP-UHFFFAOYSA-N 0 3 291.778 3.147 20 30 CGEDHN C(#CC1CCN(Cc2ccc[nH]2)CC1)c1ccccc1 ZINC001204010657 812518359 /nfs/dbraw/zinc/51/83/59/812518359.db2.gz MPCLHVOZDLRWKP-UHFFFAOYSA-N 0 3 264.372 3.278 20 30 CGEDHN C(#CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC001204082111 812543390 /nfs/dbraw/zinc/54/33/90/812543390.db2.gz NRGWLHXFNNDYBF-UHFFFAOYSA-N 0 3 276.383 3.345 20 30 CGEDHN C#C[C@H](N[C@@H]1CCC[C@@H](OCC)C1)c1ccc(F)cc1 ZINC001205980450 813150403 /nfs/dbraw/zinc/15/04/03/813150403.db2.gz LAXZAFAFJMBGRM-ZACQAIPSSA-N 0 3 275.367 3.437 20 30 CGEDHN Cc1ccc(-c2cnccc2/C=C/N(C)C)c(C#N)c1 ZINC001242594940 823051751 /nfs/dbraw/zinc/05/17/51/823051751.db2.gz ZEILTMSEUSYIOI-VQHVLOKHSA-N 0 3 263.344 3.461 20 30 CGEDHN CCCCCCCN(CC)Cc1cnc(OC)nc1 ZINC001206400088 813313405 /nfs/dbraw/zinc/31/34/05/813313405.db2.gz GPBAHDSABABETR-UHFFFAOYSA-N 0 3 265.401 3.278 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(O)cc(Cl)c2)C1 ZINC001206799396 813439339 /nfs/dbraw/zinc/43/93/39/813439339.db2.gz FDCBRNNUSGFWPS-LLVKDONJSA-N 0 3 251.757 3.444 20 30 CGEDHN N#CC[C@H]1CCCN(CCCc2ccccc2F)C1 ZINC001207494525 813575751 /nfs/dbraw/zinc/57/57/51/813575751.db2.gz XMOKEAPUIYOESX-CQSZACIVSA-N 0 3 260.356 3.384 20 30 CGEDHN Cc1cccc(CC[C@H](C)NCC2(C#N)CCOCC2)c1 ZINC001207773401 813647992 /nfs/dbraw/zinc/64/79/92/813647992.db2.gz DHCDYOZVRQYYLC-INIZCTEOSA-N 0 3 286.419 3.226 20 30 CGEDHN N#Cc1cccc(CCCN2CCOc3ccccc3C2)c1 ZINC001208852886 813867476 /nfs/dbraw/zinc/86/74/76/813867476.db2.gz VUHASRVVXSTNLU-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN CN1CC=C(Nc2cccc3c(C#N)cccc23)CC1 ZINC001208857552 813870160 /nfs/dbraw/zinc/87/01/60/813870160.db2.gz MBENFXAQVHLVBL-UHFFFAOYSA-N 0 3 263.344 3.343 20 30 CGEDHN CC(=O)OC(C)(C)CCCN(CCC#N)C1CCCC1 ZINC001209154592 813950332 /nfs/dbraw/zinc/95/03/32/813950332.db2.gz PAVRTROUIMXMJQ-UHFFFAOYSA-N 0 3 280.412 3.267 20 30 CGEDHN C=CCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001209200518 813964198 /nfs/dbraw/zinc/96/41/98/813964198.db2.gz KWTJHSAALAJVIP-GASCZTMLSA-N 0 3 294.439 3.426 20 30 CGEDHN C[C@H]1CC(=O)C=C(c2cnc3[nH]cc(CN(C)C)c3c2)C1 ZINC001242741908 823118619 /nfs/dbraw/zinc/11/86/19/823118619.db2.gz DDIBRLTZKRPKES-LLVKDONJSA-N 0 3 283.375 3.007 20 30 CGEDHN CCCCCCCCC(=O)N1CCC[C@@H](NCCF)C1 ZINC001210803933 814636438 /nfs/dbraw/zinc/63/64/38/814636438.db2.gz BYETWGWYFQHTFC-OAHLLOKOSA-N 0 3 286.435 3.287 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2cnc(C)cc2C)no1 ZINC001211436809 814892111 /nfs/dbraw/zinc/89/21/11/814892111.db2.gz YOXVHVCTZBRZJR-UHFFFAOYSA-N 0 3 298.390 3.248 20 30 CGEDHN C[C@@H]1NC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217906902 815997796 /nfs/dbraw/zinc/99/77/96/815997796.db2.gz JTKWPJHZQIBFKP-IKBQKPSDSA-N 0 3 266.344 3.142 20 30 CGEDHN N#Cc1cccc(-c2ccc(O[C@@H]3CCNC[C@@H]3F)cc2)c1 ZINC001218069558 816086293 /nfs/dbraw/zinc/08/62/93/816086293.db2.gz JBFNXVKNZOWQLQ-ZWKOTPCHSA-N 0 3 296.345 3.304 20 30 CGEDHN C=C[C@@H](C#CC(C)(C)C)Oc1cccc2c1CNC2 ZINC001218414279 816203390 /nfs/dbraw/zinc/20/33/90/816203390.db2.gz USTHODDQJJRZPS-AWEZNQCLSA-N 0 3 255.361 3.273 20 30 CGEDHN N#Cc1c2ccccc2sc1NC(=O)[C@@H](N)CC1CCC1 ZINC001218648050 816249077 /nfs/dbraw/zinc/24/90/77/816249077.db2.gz CTWUMFCMZBBLMI-ZDUSSCGKSA-N 0 3 299.399 3.229 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCCCCC ZINC001231179321 818053389 /nfs/dbraw/zinc/05/33/89/818053389.db2.gz RNTYKNILABKSNC-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN C#Cc1cccc(CN2CCC3(CCC(=O)CC3)CC2)c1 ZINC001231660353 818152540 /nfs/dbraw/zinc/15/25/40/818152540.db2.gz DCLUDEPPVSHTAM-UHFFFAOYSA-N 0 3 281.399 3.393 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(NC(C)=O)cc1C ZINC001232188281 818272831 /nfs/dbraw/zinc/27/28/31/818272831.db2.gz IZLUQMMJMCGARB-UHFFFAOYSA-N 0 3 258.365 3.127 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232820320 818448856 /nfs/dbraw/zinc/44/88/56/818448856.db2.gz DXDRHODIBWJBEJ-NSHDSACASA-N 0 3 288.782 3.342 20 30 CGEDHN N#Cc1cc[nH]c1CN1CCC[C@@H]1C1CCCCC1 ZINC001233047956 818511347 /nfs/dbraw/zinc/51/13/47/818511347.db2.gz RLKBYIQFVAKXBP-MRXNPFEDSA-N 0 3 257.381 3.431 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654145 818671581 /nfs/dbraw/zinc/67/15/81/818671581.db2.gz OUUMMSMZEIATCK-KBPBESRZSA-N 0 3 282.403 3.137 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001234086902 818775560 /nfs/dbraw/zinc/77/55/60/818775560.db2.gz FDYMSFWBIQRIQY-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN CCC#C[C@@H](C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243330 818813355 /nfs/dbraw/zinc/81/33/55/818813355.db2.gz HPASYJZYBAHRRP-GFCCVEGCSA-N 0 3 279.355 3.077 20 30 CGEDHN C#C[C@H]1CCC[C@H]1Oc1c(F)cc(CN(C)C)cc1OC ZINC001234244589 818815426 /nfs/dbraw/zinc/81/54/26/818815426.db2.gz QNWPNGLNWFYMEO-DZGCQCFKSA-N 0 3 291.366 3.077 20 30 CGEDHN C=CCN(Cc1cc(C(=O)OC)ccn1)C1CCCCC1 ZINC001235212110 819037656 /nfs/dbraw/zinc/03/76/56/819037656.db2.gz KPUVHVFUGVIENS-UHFFFAOYSA-N 0 3 288.391 3.189 20 30 CGEDHN C=CCCC(=O)NCCCN(C)[C@@H](C)c1ccccc1F ZINC001235464135 819104806 /nfs/dbraw/zinc/10/48/06/819104806.db2.gz HQQQSRYNWYUSLT-AWEZNQCLSA-N 0 3 292.398 3.291 20 30 CGEDHN N#CCCN(CCCCO)C1CCCCCCC1 ZINC001235664862 819132456 /nfs/dbraw/zinc/13/24/56/819132456.db2.gz YUYDRFFCPQTSQU-UHFFFAOYSA-N 0 3 252.402 3.087 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(O)c(OC(F)(F)F)c2)C1 ZINC001235673305 819134237 /nfs/dbraw/zinc/13/42/37/819134237.db2.gz PPQPJHPAPYGHNP-NSHDSACASA-N 0 3 299.292 3.136 20 30 CGEDHN COc1ccc(C#N)cc1-c1cnccc1/C=C/N(C)C ZINC001236545684 819530616 /nfs/dbraw/zinc/53/06/16/819530616.db2.gz PECQSYNLZJYNFV-VQHVLOKHSA-N 0 3 279.343 3.161 20 30 CGEDHN COc1c(C)cccc1CN1CCC[C@H](C#N)CC1 ZINC001237512711 819767352 /nfs/dbraw/zinc/76/73/52/819767352.db2.gz GVJJLSDBCNLENO-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN CCCO[C@H]1CCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238770345 820113337 /nfs/dbraw/zinc/11/33/37/820113337.db2.gz CFAPRCARMVFCKJ-KRWDZBQOSA-N 0 3 272.392 3.122 20 30 CGEDHN N#Cc1ccc(C2=CCCN(Cc3ccccc3)C2)cn1 ZINC001240388032 821011554 /nfs/dbraw/zinc/01/15/54/821011554.db2.gz ZCQMMUBMBIGLSG-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN C[N@@H+]1CC[C@H](c2ccc(-c3ccc([O-])c(C#N)c3)cc2)C1 ZINC001242566358 823037073 /nfs/dbraw/zinc/03/70/73/823037073.db2.gz VPNKKIIDCBUZCU-INIZCTEOSA-N 0 3 278.355 3.350 20 30 CGEDHN C[N@H+]1CC[C@H](c2ccc(-c3ccc([O-])c(C#N)c3)cc2)C1 ZINC001242566358 823037079 /nfs/dbraw/zinc/03/70/79/823037079.db2.gz VPNKKIIDCBUZCU-INIZCTEOSA-N 0 3 278.355 3.350 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(SC)c1 ZINC001341321839 936434565 /nfs/dbraw/zinc/43/45/65/936434565.db2.gz YCDVWNVXCOWALB-CYBMUJFWSA-N 0 3 278.421 3.339 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC001342128311 936460695 /nfs/dbraw/zinc/46/06/95/936460695.db2.gz LOYUCWBGUYTQAQ-DZKIICNBSA-N 0 3 298.471 3.137 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc2ccccc2c(OC)c1 ZINC001342786195 936479358 /nfs/dbraw/zinc/47/93/58/936479358.db2.gz FSHCQJTVOACNKA-INIZCTEOSA-N 0 3 298.386 3.471 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(C)cc1SC ZINC001343320040 936494485 /nfs/dbraw/zinc/49/44/85/936494485.db2.gz CEKJKKDQWGVQEF-AWEZNQCLSA-N 0 3 292.448 3.017 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001343715978 936511711 /nfs/dbraw/zinc/51/17/11/936511711.db2.gz GOAJPAOPFZVFKE-KBUPBQIOSA-N 0 3 285.391 3.203 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC001344322713 936529691 /nfs/dbraw/zinc/52/96/91/936529691.db2.gz WGBCIYMODHTJCE-ZDUSSCGKSA-N 0 3 273.380 3.296 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001344865082 936547160 /nfs/dbraw/zinc/54/71/60/936547160.db2.gz YUPJBKAULLZYOW-GOEBONIOSA-N 0 3 295.386 3.267 20 30 CGEDHN CC1(C)C(C(=O)C(C#N)c2ncc(F)cc2F)C1(C)C ZINC001345621017 936817575 /nfs/dbraw/zinc/81/75/75/936817575.db2.gz BLJZSLNNEANBEI-VIFPVBQESA-N 0 3 278.302 3.218 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001346994120 936866938 /nfs/dbraw/zinc/86/69/38/936866938.db2.gz XCQHAQAHDGBICB-RHSMWYFYSA-N 0 3 274.408 3.150 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncc3ccccc3n2)CC1 ZINC001351140775 937009592 /nfs/dbraw/zinc/00/95/92/937009592.db2.gz NAOHKHVWWQKEGC-UHFFFAOYSA-N 0 3 282.391 3.082 20 30 CGEDHN C#C[C@@H](CC)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001353339982 937063273 /nfs/dbraw/zinc/06/32/73/937063273.db2.gz LQQGTGVNESJZDO-GWCFXTLKSA-N 0 3 272.175 3.028 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2sccc2F)C1 ZINC001481688060 927058802 /nfs/dbraw/zinc/05/88/02/927058802.db2.gz GASXQDKIMLJHPJ-NEPJUHHUSA-N 0 3 296.411 3.046 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CCNCC(=C)Cl)C1 ZINC001481979930 927122478 /nfs/dbraw/zinc/12/24/78/927122478.db2.gz VHMLHBMLVNNZOK-CQSZACIVSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CC1(C)C ZINC001482448997 927243513 /nfs/dbraw/zinc/24/35/13/927243513.db2.gz IYBIPXWWUDVIIW-KBPBESRZSA-N 0 3 298.858 3.146 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNCc1ccccc1F ZINC001483170737 927434484 /nfs/dbraw/zinc/43/44/84/927434484.db2.gz QVMVTUUFTVTUFX-CYBMUJFWSA-N 0 3 292.398 3.022 20 30 CGEDHN N#CC(C(=O)CCCc1cccs1)c1cccc(F)n1 ZINC001357580097 937174809 /nfs/dbraw/zinc/17/48/09/937174809.db2.gz IGJRHNAENNPVHZ-LBPRGKRZSA-N 0 3 288.347 3.481 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CCC2CCCC2)C1 ZINC001483679371 927569234 /nfs/dbraw/zinc/56/92/34/927569234.db2.gz IJBARSVTTFWPSL-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001483709432 927582532 /nfs/dbraw/zinc/58/25/32/927582532.db2.gz XRIBUSOZTXVSBG-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001484504702 927713422 /nfs/dbraw/zinc/71/34/22/927713422.db2.gz AYUHHOLVSBWLHG-CQSZACIVSA-N 0 3 298.858 3.147 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1 ZINC001484560792 927721990 /nfs/dbraw/zinc/72/19/90/927721990.db2.gz HIYNDCUZYWCROA-RHSMWYFYSA-N 0 3 298.430 3.023 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)C(C)(C)C2CCC2)C1 ZINC001485097548 927808635 /nfs/dbraw/zinc/80/86/35/927808635.db2.gz KVMLKEWUGPRUMJ-UHFFFAOYSA-N 0 3 298.858 3.050 20 30 CGEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(Cl)cc2C#N)C1(C)C ZINC001473482789 937199324 /nfs/dbraw/zinc/19/93/24/937199324.db2.gz CMDYDOBVMHHXMM-WKPIXPDZSA-N 0 3 292.810 3.361 20 30 CGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccsc2)C[C@H]1C ZINC001486121579 927987782 /nfs/dbraw/zinc/98/77/82/927987782.db2.gz MDAIGOQJILUCDF-HIFRSBDPSA-N 0 3 292.448 3.183 20 30 CGEDHN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001559690062 937210031 /nfs/dbraw/zinc/21/00/31/937210031.db2.gz DRGCZKKRLCULTR-ZIAGYGMSSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCCC1 ZINC001488675091 928287769 /nfs/dbraw/zinc/28/77/69/928287769.db2.gz FEPDGSPPXOGOPZ-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CCC ZINC001488677420 928292101 /nfs/dbraw/zinc/29/21/01/928292101.db2.gz QBOZBUWEBAIBHH-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccccc1C ZINC001489316067 928323233 /nfs/dbraw/zinc/32/32/33/928323233.db2.gz KQMRMJFOTWGCBA-INIZCTEOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CCC)CC(C)C)[C@H]1C ZINC001489315049 928324788 /nfs/dbraw/zinc/32/47/88/928324788.db2.gz OWTIQVKFVNVLNE-OAGGEKHMSA-N 0 3 280.456 3.214 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1occc1-c1ccccc1 ZINC001492983664 937239923 /nfs/dbraw/zinc/23/99/23/937239923.db2.gz ZIVAFXKWQWEZFJ-UHFFFAOYSA-N 0 3 298.386 3.184 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)=C(C)C ZINC001490799154 928407364 /nfs/dbraw/zinc/40/73/64/928407364.db2.gz FANSLRDOMTTYMY-CALCHBBNSA-N 0 3 290.451 3.374 20 30 CGEDHN COc1ccc(CN[C@H](C)c2ccsc2)cc1C#N ZINC000087824226 928686775 /nfs/dbraw/zinc/68/67/75/928686775.db2.gz AXVIFCAFMICDNE-LLVKDONJSA-N 0 3 272.373 3.479 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN(C[C@@H](F)CC)C1 ZINC001491107296 928834634 /nfs/dbraw/zinc/83/46/34/928834634.db2.gz HWUORUZIQXABFC-GJZGRUSLSA-N 0 3 298.446 3.165 20 30 CGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCCC(C)C)C1 ZINC001491295469 928853284 /nfs/dbraw/zinc/85/32/84/928853284.db2.gz BIPCWTVHDRMUKA-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN Cc1cc(SCCN(C)Cc2ccccc2)ncc1C#N ZINC001458345219 937459149 /nfs/dbraw/zinc/45/91/49/937459149.db2.gz JXNGKPVZKJCIDD-UHFFFAOYSA-N 0 3 297.427 3.486 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NCCC(C)(C)C ZINC001459540943 937491278 /nfs/dbraw/zinc/49/12/78/937491278.db2.gz OAZYOUBTEGEUCA-UHFFFAOYSA-N 0 3 268.445 3.217 20 30 CGEDHN CCN(Cc1c[nH]c2ccc(C#N)cc12)Cc1cccnc1 ZINC001140115230 931955812 /nfs/dbraw/zinc/95/58/12/931955812.db2.gz RAMIPNQMSVGXJZ-UHFFFAOYSA-N 0 3 290.370 3.457 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@](C)(CC)CCCCC ZINC001157172865 931979509 /nfs/dbraw/zinc/97/95/09/931979509.db2.gz YTEHQPSYMAUCGK-SJLPKXTDSA-N 0 3 294.483 3.443 20 30 CGEDHN C#CCOc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC001203314386 931998927 /nfs/dbraw/zinc/99/89/27/931998927.db2.gz OELRXKIRPIQKRZ-JKSUJKDBSA-N 0 3 261.340 3.069 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](CC)CC(C)C)C1 ZINC001330073056 932034127 /nfs/dbraw/zinc/03/41/27/932034127.db2.gz YVSOCZYZOGMQFV-LSDHHAIUSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001230574538 932592224 /nfs/dbraw/zinc/59/22/24/932592224.db2.gz GFIMWLDPIIOLDG-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001230751902 932619313 /nfs/dbraw/zinc/61/93/13/932619313.db2.gz AAAPZQPXXQECAA-INIZCTEOSA-N 0 3 290.407 3.172 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230803092 932626120 /nfs/dbraw/zinc/62/61/20/932626120.db2.gz UQDZFMOGAOSRDL-HNNXBMFYSA-N 0 3 268.445 3.146 20 30 CGEDHN COc1cccc(C(F)(F)F)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC001254643432 932725448 /nfs/dbraw/zinc/72/54/48/932725448.db2.gz OEFKWPLCHFWUSZ-GHMZBOCLSA-N 0 3 298.308 3.496 20 30 CGEDHN C=CCCCCCN1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC001307971832 933026800 /nfs/dbraw/zinc/02/68/00/933026800.db2.gz KKHIWFRNGDIKGE-CYBMUJFWSA-N 0 3 289.366 3.253 20 30 CGEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(C)cc1 ZINC001308138047 933054936 /nfs/dbraw/zinc/05/49/36/933054936.db2.gz UMCQGFLOZWVZBZ-MRXNPFEDSA-N 0 3 272.392 3.364 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc([O-])c(F)c1 ZINC001308737242 933167152 /nfs/dbraw/zinc/16/71/52/933167152.db2.gz FFWIQPWNOUNFKB-MRXNPFEDSA-N 0 3 282.318 3.180 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(O)c(F)c1 ZINC001308737242 933167156 /nfs/dbraw/zinc/16/71/56/933167156.db2.gz FFWIQPWNOUNFKB-MRXNPFEDSA-N 0 3 282.318 3.180 20 30 CGEDHN COCC1(CNCc2cccc(F)c2C#N)CCCCC1 ZINC001308799159 933178807 /nfs/dbraw/zinc/17/88/07/933178807.db2.gz QXWDLDQZMCHSDU-UHFFFAOYSA-N 0 3 290.382 3.384 20 30 CGEDHN COc1cccc(CNCc2ccc(C#N)c(F)c2)c1C ZINC001308871149 933194473 /nfs/dbraw/zinc/19/44/73/933194473.db2.gz GCSZUOBBIWLRFR-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=C)Cl ZINC001316874580 933490397 /nfs/dbraw/zinc/49/03/97/933490397.db2.gz SYSUUEBGGVIREY-UONOGXRCSA-N 0 3 284.831 3.064 20 30 CGEDHN C=CCCC(=O)N(C)C1CCN(Cc2ccsc2)CC1 ZINC001316932039 933498222 /nfs/dbraw/zinc/49/82/22/933498222.db2.gz SJRITYZDYUVGEU-UHFFFAOYSA-N 0 3 292.448 3.137 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001316981151 933505112 /nfs/dbraw/zinc/50/51/12/933505112.db2.gz RSEMYIYXPGNWET-QGZVFWFLSA-N 0 3 286.419 3.042 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CCC2CC2)CC1 ZINC001317004233 933511727 /nfs/dbraw/zinc/51/17/27/933511727.db2.gz QHSSVWVIXYIRNU-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001317091094 933528640 /nfs/dbraw/zinc/52/86/40/933528640.db2.gz XYQRJOSOYDYBCM-JOCQHMNTSA-N 0 3 286.847 3.192 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(C)CCCCC1 ZINC001317406311 933587233 /nfs/dbraw/zinc/58/72/33/933587233.db2.gz SLBIOVJBKWCBRV-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(CC)CCC ZINC001318220514 933696218 /nfs/dbraw/zinc/69/62/18/933696218.db2.gz ZSGUSWWOPSJZLT-BQFCYCMXSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)/C(C)=C\CC)CCCC1 ZINC001319340501 933860119 /nfs/dbraw/zinc/86/01/19/933860119.db2.gz KVGHHRMWGJSFDU-GHXNOFRVSA-N 0 3 284.831 3.114 20 30 CGEDHN C#CCN(Cc1cncc2ccccc21)CC1CC1 ZINC001319727282 933923493 /nfs/dbraw/zinc/92/34/93/933923493.db2.gz QCOHSHKTALBCMW-UHFFFAOYSA-N 0 3 250.345 3.080 20 30 CGEDHN C#CCN(Cc1ccc(OC(F)F)cc1)CC1CC1 ZINC001319728767 933923747 /nfs/dbraw/zinc/92/37/47/933923747.db2.gz CVXFCCNWBPBWSS-UHFFFAOYSA-N 0 3 265.303 3.133 20 30 CGEDHN C=C[C@@H](COC)NCc1cc(Cl)cc2cccnc21 ZINC001320427890 934047469 /nfs/dbraw/zinc/04/74/69/934047469.db2.gz MZVJFHMMRPVCSV-AWEZNQCLSA-N 0 3 276.767 3.179 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1cc2c(s1)CCCC2 ZINC001321242969 934168004 /nfs/dbraw/zinc/16/80/04/934168004.db2.gz ZTJBPOPPLFTLKU-YPMHNXCESA-N 0 3 265.422 3.479 20 30 CGEDHN COc1cc(CN[C@H]2CC[C@H](C#N)C2)cc(Cl)c1OC ZINC001321668717 934202783 /nfs/dbraw/zinc/20/27/83/934202783.db2.gz RIARQPACLCDHAQ-JQWIXIFHSA-N 0 3 294.782 3.139 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccc2ccccc21 ZINC001322294725 934273544 /nfs/dbraw/zinc/27/35/44/934273544.db2.gz VUBPHWITCPQVLC-AWEZNQCLSA-N 0 3 282.387 3.076 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001323334544 934384303 /nfs/dbraw/zinc/38/43/03/934384303.db2.gz ICJBKQYKWPZIJX-HZPDHXFCSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001323371573 934390584 /nfs/dbraw/zinc/39/05/84/934390584.db2.gz MMUVGLWXNVMJNI-GPANFISMSA-N 0 3 292.467 3.215 20 30 CGEDHN C#CCN(CCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001324677361 934546784 /nfs/dbraw/zinc/54/67/84/934546784.db2.gz UHZFNXZCIUGYRP-UHFFFAOYSA-N 0 3 283.293 3.225 20 30 CGEDHN Cc1cccc(C#N)c1SCCN1CCCCC1 ZINC001473080246 937792029 /nfs/dbraw/zinc/79/20/29/937792029.db2.gz PBIVRCIFFVYLLV-UHFFFAOYSA-N 0 3 260.406 3.445 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H](COC)C(C)C ZINC001473137827 937794480 /nfs/dbraw/zinc/79/44/80/937794480.db2.gz ZFKDALDQRZQAKO-INIZCTEOSA-N 0 3 277.383 3.180 20 30 CGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCCCCC)C1 ZINC001324974518 934879484 /nfs/dbraw/zinc/87/94/84/934879484.db2.gz AOSYIVJDOTVCOO-GOSISDBHSA-N 0 3 292.467 3.198 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@H](C)c1ccccc1C ZINC001329571077 935228489 /nfs/dbraw/zinc/22/84/89/935228489.db2.gz GIOFEFGCIMYXOO-HOTGVXAUSA-N 0 3 288.435 3.111 20 30 CGEDHN C[C@@H]1CCCCN1N=Cc1ccc(N2CCCC2)cc1 ZINC001330028454 935262496 /nfs/dbraw/zinc/26/24/96/935262496.db2.gz FXVBNAJPVDTVKK-OAHLLOKOSA-N 0 3 271.408 3.495 20 30 CGEDHN CC(=NN[C@@H]1CC(C)(C)OC1(C)C)c1ccc(N)cc1C ZINC001330911437 935334440 /nfs/dbraw/zinc/33/44/40/935334440.db2.gz RKXRJRBVPKJWHQ-OAHLLOKOSA-N 0 3 289.423 3.237 20 30 CGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCCC[C@@H]1C)C(C)C ZINC001332724664 935484926 /nfs/dbraw/zinc/48/49/26/935484926.db2.gz UMRVOFRDVUISPM-IRXDYDNUSA-N 0 3 292.467 3.005 20 30 CGEDHN CC[C@]1(C)CN(CCCCC2(C#N)CCC2)CCO1 ZINC001332970096 935501028 /nfs/dbraw/zinc/50/10/28/935501028.db2.gz WZPQIGVOPVCXPP-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN N#Cc1csc(CNCc2ccc3c(c2)CCC3)c1 ZINC001337278758 936247527 /nfs/dbraw/zinc/24/75/27/936247527.db2.gz DSWUPGRRXIREPH-UHFFFAOYSA-N 0 3 268.385 3.398 20 30 CGEDHN C=C(C)CCC(=O)Nc1ccc(C)cc1CN(C)C ZINC001337536264 936267639 /nfs/dbraw/zinc/26/76/39/936267639.db2.gz SKCOAAIBFDDTJX-UHFFFAOYSA-N 0 3 260.381 3.351 20 30 CGEDHN C#CCCCCCCN1CCc2c(C#N)c(N)sc2C1 ZINC001473858036 937825156 /nfs/dbraw/zinc/82/51/56/937825156.db2.gz JCAPQMKODUISRZ-UHFFFAOYSA-N 0 3 287.432 3.144 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(C)c(OC)c2)c1 ZINC001474178994 937842835 /nfs/dbraw/zinc/84/28/35/937842835.db2.gz XTVVCVICKLYZFJ-UHFFFAOYSA-N 0 3 265.356 3.275 20 30 CGEDHN C#CCN(Cc1cnc(F)cc1C)C1CCCCC1 ZINC001474340088 937852694 /nfs/dbraw/zinc/85/26/94/937852694.db2.gz VJTHEIIHQKUKHF-UHFFFAOYSA-N 0 3 260.356 3.297 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001480096995 937932274 /nfs/dbraw/zinc/93/22/74/937932274.db2.gz CLQIIJVVYGISPL-IYBDPMFKSA-N 0 3 292.467 3.454 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001480728584 937942492 /nfs/dbraw/zinc/94/24/92/937942492.db2.gz TVZRJFLGNBIQOO-DLBZAZTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC001493898216 937951939 /nfs/dbraw/zinc/95/19/39/937951939.db2.gz RSPHPUXGZXHEAZ-VSZNYVQBSA-N 0 3 298.430 3.056 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(CC=C(C)C)C1 ZINC001494324232 937954251 /nfs/dbraw/zinc/95/42/51/937954251.db2.gz CRKDBGMUACRRIW-HOTGVXAUSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CC2CCCCCC2)C1 ZINC001494913043 937957285 /nfs/dbraw/zinc/95/72/85/937957285.db2.gz KOAIPDTVYDHGHR-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCC2CCCC2)C1 ZINC001494922537 937957322 /nfs/dbraw/zinc/95/73/22/937957322.db2.gz AJPXWGDDLOVNHK-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CC[C@@H](C)C2)CCCC1 ZINC001495949849 937960748 /nfs/dbraw/zinc/96/07/48/937960748.db2.gz SQPRZRILVXJYCR-OCCSQVGLSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C1=CCCCCC1)C(C)C ZINC001496544794 937962933 /nfs/dbraw/zinc/96/29/33/937962933.db2.gz FJRVRTQIDIBPDF-OAHLLOKOSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)C(CC)CC ZINC001496733615 937964058 /nfs/dbraw/zinc/96/40/58/937964058.db2.gz LVUIGBHZNAIVCG-AWEZNQCLSA-N 0 3 268.445 3.025 20 30 CGEDHN C=CCN[C@H](CNC(=O)/C(C)=C/C)c1ccccc1CC ZINC001501019536 937978475 /nfs/dbraw/zinc/97/84/75/937978475.db2.gz RHTYZXNURCXQAH-VNOAQLAMSA-N 0 3 286.419 3.148 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C(C)(CC)CC ZINC001506585327 937990919 /nfs/dbraw/zinc/99/09/19/937990919.db2.gz STXJMMRXQSQWGC-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)C2CCCC2)C1 ZINC001506626291 937991216 /nfs/dbraw/zinc/99/12/16/937991216.db2.gz KOYJIUFRKOICEE-AWEZNQCLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2(C)CCC(C)CC2)C1 ZINC001506683452 937991307 /nfs/dbraw/zinc/99/13/07/937991307.db2.gz RUEZUZXLTQEEMH-CSLYMUCUSA-N 0 3 292.467 3.215 20 30 CGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C[C@@H](C)CCC)CC1 ZINC001508056077 937997987 /nfs/dbraw/zinc/99/79/87/937997987.db2.gz HLWVQLCXDRFPOV-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CC2(C1)CCCCC2 ZINC001517045793 938011005 /nfs/dbraw/zinc/01/10/05/938011005.db2.gz IIZAYEGPSMBNSX-AWEZNQCLSA-N 0 3 285.391 3.440 20 30 CGEDHN CCCCCCCC(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001517127114 938011100 /nfs/dbraw/zinc/01/11/00/938011100.db2.gz YPVNSHMNCVDSFT-MRXNPFEDSA-N 0 3 297.439 3.143 20 30 CGEDHN C=C(C)CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001519538349 938019711 /nfs/dbraw/zinc/01/97/11/938019711.db2.gz RNBIWXSLYMUQBM-NHYWBVRUSA-N 0 3 295.310 3.432 20 30 CGEDHN C=CC[C@H](C)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001559543015 938228829 /nfs/dbraw/zinc/22/88/29/938228829.db2.gz KIAOELFXOGTBTB-IHRRRGAJSA-N 0 3 282.428 3.281 20 30 CGEDHN CC(C)(C)C1=CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001559719406 938233436 /nfs/dbraw/zinc/23/34/36/938233436.db2.gz FEWMHDCANIOTMV-QGZVFWFLSA-N 0 3 284.403 3.270 20 30 CGEDHN CC[C@H](CC#N)NCCCc1ccc(F)c(F)c1 ZINC001560733107 938273059 /nfs/dbraw/zinc/27/30/59/938273059.db2.gz VCCVCUZLIUDYMN-GFCCVEGCSA-N 0 3 252.308 3.179 20 30 CGEDHN C=CCC1(C(=O)NCCN(CC)CC=C(C)C)CCC1 ZINC001480998653 957700405 /nfs/dbraw/zinc/70/04/05/957700405.db2.gz VZEIDUMCUYPZTL-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCCC(=O)NCCN(C)[C@H](CC)c1ccc(F)cc1 ZINC001317440803 960435252 /nfs/dbraw/zinc/43/52/52/960435252.db2.gz PVFGJGNPKCMLBC-MRXNPFEDSA-N 0 3 292.398 3.291 20 30 CGEDHN CCCCCCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001565062572 960732273 /nfs/dbraw/zinc/73/22/73/960732273.db2.gz XBRVNRUBYUVTHV-AWEZNQCLSA-N 0 3 283.460 3.129 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001565819412 960835690 /nfs/dbraw/zinc/83/56/90/960835690.db2.gz FXNPUJRRRFRQSD-HUUCEWRRSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001565854205 960848154 /nfs/dbraw/zinc/84/81/54/960848154.db2.gz VRJRMHVZZLQKBG-MCIONIFRSA-N 0 3 286.847 3.050 20 30 CGEDHN CC#CCN(C)CCCNC(=O)C1(CC(C)C)CCCC1 ZINC001566500848 960937920 /nfs/dbraw/zinc/93/79/20/960937920.db2.gz OXCUHVNSMVOCPK-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCCN2CC=C(C)C)C1 ZINC001566925902 961064127 /nfs/dbraw/zinc/06/41/27/961064127.db2.gz RUITWXDSZGRGGB-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C(C)=C2CCC2)C1 ZINC001567681067 961391853 /nfs/dbraw/zinc/39/18/53/961391853.db2.gz BRMUHRSIONQASA-QGZVFWFLSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1CC12CCC2)c1ccccc1 ZINC001567664780 961393010 /nfs/dbraw/zinc/39/30/10/961393010.db2.gz VNRCDRLRFDXXPX-SJORKVTESA-N 0 3 298.430 3.200 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CCCC ZINC001567853527 961446773 /nfs/dbraw/zinc/44/67/73/961446773.db2.gz ZLDXZSCZSJQTBF-ULQDDVLXSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001569651296 961811205 /nfs/dbraw/zinc/81/12/05/961811205.db2.gz OPZRDQZRYJJWGR-NVXWUHKLSA-N 0 3 280.456 3.215 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)C2CC2)cc1 ZINC001570030001 961887770 /nfs/dbraw/zinc/88/77/70/961887770.db2.gz LVVLLJMTTGLCJM-HUUCEWRRSA-N 0 3 298.430 3.023 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C[C@@H]1CC=CCC1 ZINC001571296533 962129952 /nfs/dbraw/zinc/12/99/52/962129952.db2.gz APSNYWZLDHNPFN-HUUCEWRRSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(C(C)C)cc1 ZINC001574908117 962332885 /nfs/dbraw/zinc/33/28/85/962332885.db2.gz DTHFTBNNGHJPBO-INIZCTEOSA-N 0 3 274.408 3.110 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H](CF)C1 ZINC001577426655 962544827 /nfs/dbraw/zinc/54/48/27/962544827.db2.gz TWOKNSCVJKQTCH-CABCVRRESA-N 0 3 286.435 3.272 20 30 CGEDHN COCC1(CN[C@H](CCC#N)c2ccccc2)CCC1 ZINC000589742311 346810636 /nfs/dbraw/zinc/81/06/36/346810636.db2.gz BVNLNGDOUSPSRH-MRXNPFEDSA-N 0 3 272.392 3.438 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cn3c(cccc3C)n2)C1 ZINC000651700699 398271244 /nfs/dbraw/zinc/27/12/44/398271244.db2.gz PHTKCHUINVWNMR-LSDHHAIUSA-N 0 3 269.392 3.477 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cccnc2OCC)C1 ZINC000651750346 398281900 /nfs/dbraw/zinc/28/19/00/398281900.db2.gz DRSVLLSRLJPSDV-ZFWWWQNUSA-N 0 3 260.381 3.315 20 30 CGEDHN C[C@@H](N[C@@H](CO)CC1CCCC1)c1ccc(C#N)cc1F ZINC000338024160 214366689 /nfs/dbraw/zinc/36/66/89/214366689.db2.gz WNWOBKVTFCTPHU-IUODEOHRSA-N 0 3 290.382 3.289 20 30 CGEDHN CO[C@H]1CCN(Cc2ccc(C#N)cc2C)CC1(C)C ZINC000590757654 346872278 /nfs/dbraw/zinc/87/22/78/346872278.db2.gz JVGRZTRDSNLMAX-INIZCTEOSA-N 0 3 272.392 3.114 20 30 CGEDHN CC[C@H](NCCCC#N)c1ccc(OC)c(OC)c1 ZINC000352247221 529595584 /nfs/dbraw/zinc/59/55/84/529595584.db2.gz XDDNPQJNDYUBDZ-ZDUSSCGKSA-N 0 3 262.353 3.048 20 30 CGEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1c(C)nn(C)c1C ZINC000347990419 529626495 /nfs/dbraw/zinc/62/64/95/529626495.db2.gz CHMLJPWLPMHDAC-KRWDZBQOSA-N 0 3 296.418 3.344 20 30 CGEDHN CCc1cnccc1[C@H](C)NCc1cccc(C#N)c1 ZINC000358498648 529681609 /nfs/dbraw/zinc/68/16/09/529681609.db2.gz DGZMSQNYDCUQLV-ZDUSSCGKSA-N 0 3 265.360 3.366 20 30 CGEDHN CCN(CCCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000126556539 187247482 /nfs/dbraw/zinc/24/74/82/187247482.db2.gz OUMKQTQMVJPYRH-UHFFFAOYSA-N 0 3 295.386 3.244 20 30 CGEDHN CCc1ccc([C@@H]2CCCCCN2C(=O)C(C)C#N)o1 ZINC000335265018 529712416 /nfs/dbraw/zinc/71/24/16/529712416.db2.gz UWBNPOHCGWKONX-OCCSQVGLSA-N 0 3 274.364 3.445 20 30 CGEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849430 346942699 /nfs/dbraw/zinc/94/26/99/346942699.db2.gz XMWOCAPRYVLCCF-GOSISDBHSA-N 0 3 299.462 3.260 20 30 CGEDHN CC[C@@H](NCc1ccncc1C#N)C1CCCCC1 ZINC000592098161 346962086 /nfs/dbraw/zinc/96/20/86/346962086.db2.gz LTMGMVYYDHJSMY-MRXNPFEDSA-N 0 3 257.381 3.402 20 30 CGEDHN N#CC[C@@]1(O)CCN(Cc2ccc(-c3cccs3)cc2)C1 ZINC000592154519 346968052 /nfs/dbraw/zinc/96/80/52/346968052.db2.gz SKHGFVOREFTYMA-QGZVFWFLSA-N 0 3 298.411 3.266 20 30 CGEDHN CC(C)[C@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000592103775 346963553 /nfs/dbraw/zinc/96/35/53/346963553.db2.gz LDWUNTBUZIMKID-CVEARBPZSA-N 0 3 257.381 3.258 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)CC2(CCCC2)O1 ZINC000592195548 346971472 /nfs/dbraw/zinc/97/14/72/346971472.db2.gz UAGILBYLJWLONH-OAHLLOKOSA-N 0 3 284.403 3.286 20 30 CGEDHN C[C@@H]1CN(CC(C)(C)CCC#N)CC2(CCCC2)O1 ZINC000592532445 346997907 /nfs/dbraw/zinc/99/79/07/346997907.db2.gz NXYMWLZFKIOMFE-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN CC[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593013648 347027340 /nfs/dbraw/zinc/02/73/40/347027340.db2.gz LBDZGVOBIYIUJW-ZDUSSCGKSA-N 0 3 287.363 3.479 20 30 CGEDHN C[C@]1(c2cccc(F)c2)CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000593040844 347031010 /nfs/dbraw/zinc/03/10/10/347031010.db2.gz MPSAELIJPNFXPZ-XYPHTWIQSA-N 0 3 272.367 3.481 20 30 CGEDHN C[C@@H]1CN(CCOCCC#N)CCc2ccc(Cl)cc21 ZINC000593067489 347035057 /nfs/dbraw/zinc/03/50/57/347035057.db2.gz UBDGPKAXGSNYNZ-CYBMUJFWSA-N 0 3 292.810 3.232 20 30 CGEDHN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCOC1 ZINC000593070528 347035425 /nfs/dbraw/zinc/03/54/25/347035425.db2.gz NQTKEBWHPQRCOF-KRWDZBQOSA-N 0 3 286.419 3.489 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593041355 347032020 /nfs/dbraw/zinc/03/20/20/347032020.db2.gz RZHHEENKFWJVQQ-CZUORRHYSA-N 0 3 260.356 3.481 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000050026932 345076860 /nfs/dbraw/zinc/07/68/60/345076860.db2.gz ZPQCRLJYEORIGS-UHFFFAOYSA-N 0 3 284.403 3.094 20 30 CGEDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000052580723 345105473 /nfs/dbraw/zinc/10/54/73/345105473.db2.gz WJRWGOABHACSDN-UHFFFAOYSA-N 0 3 295.342 3.141 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(-n2cccn2)cc1 ZINC000052869771 345109277 /nfs/dbraw/zinc/10/92/77/345109277.db2.gz XUJRSWOXBZYZRL-UHFFFAOYSA-N 0 3 253.349 3.046 20 30 CGEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)cc2Cl)C1 ZINC000351630303 219153601 /nfs/dbraw/zinc/15/36/01/219153601.db2.gz QXEQXPKVVYVFFU-IUODEOHRSA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1cc(CN2CCC3(CCCCC3)CC2)ccn1 ZINC000068766669 345361743 /nfs/dbraw/zinc/36/17/43/345361743.db2.gz ZQGNSUXRAIKOPZ-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN N#Cc1cccnc1N[C@@H](CN1CCCC1)c1ccccc1 ZINC000074159185 345461295 /nfs/dbraw/zinc/46/12/95/345461295.db2.gz NTVNIYYHANGZRL-KRWDZBQOSA-N 0 3 292.386 3.202 20 30 CGEDHN Cc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000079808747 345655527 /nfs/dbraw/zinc/65/55/27/345655527.db2.gz XZZXVQZXFVKXRM-QMMMGPOBSA-N 0 3 256.227 3.004 20 30 CGEDHN Cc1cc(F)cc2c1ncc(C#N)c2NCCN(C)C1CC1 ZINC000091459929 345815241 /nfs/dbraw/zinc/81/52/41/345815241.db2.gz WMOHOQOUPXIEIA-UHFFFAOYSA-N 0 3 298.365 3.060 20 30 CGEDHN C=CCCC[C@H](C)N1CCCN(c2nc(C)ns2)CC1 ZINC000091512648 345818110 /nfs/dbraw/zinc/81/81/10/345818110.db2.gz LKWYJUOXPNNYKQ-ZDUSSCGKSA-N 0 3 294.468 3.103 20 30 CGEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623990404 349938058 /nfs/dbraw/zinc/93/80/58/349938058.db2.gz BRDIOSCJRWNTRF-HOCLYGCPSA-N 0 3 293.455 3.047 20 30 CGEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC000162926723 232254915 /nfs/dbraw/zinc/25/49/15/232254915.db2.gz JRVZQCPVJCELNE-CHWSQXEVSA-N 0 3 260.768 3.444 20 30 CGEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)cs1 ZINC000092063913 345829529 /nfs/dbraw/zinc/82/95/29/345829529.db2.gz BCOFGQFGZKVYHJ-SJCJKPOMSA-N 0 3 298.411 3.444 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](COCC)C2)cc1 ZINC000093838624 345889723 /nfs/dbraw/zinc/88/97/23/345889723.db2.gz DCLVZQHAFMREPL-MRXNPFEDSA-N 0 3 275.392 3.110 20 30 CGEDHN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000093303210 345874779 /nfs/dbraw/zinc/87/47/79/345874779.db2.gz WHKLIGBUEQWATF-INIZCTEOSA-N 0 3 294.398 3.331 20 30 CGEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cnc2ccc(C#N)cn12 ZINC000093383487 345876988 /nfs/dbraw/zinc/87/69/88/345876988.db2.gz AQILYSJALLARSP-UNEWFSDZSA-N 0 3 294.402 3.359 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCC(C)C)CC1 ZINC000106275341 345930960 /nfs/dbraw/zinc/93/09/60/345930960.db2.gz QOMWSNIRVWMNDI-HNNXBMFYSA-N 0 3 295.471 3.151 20 30 CGEDHN C[C@@H](NCc1ccc(O)cc1)c1cccc(C#N)c1 ZINC000164507953 346182413 /nfs/dbraw/zinc/18/24/13/346182413.db2.gz UYGUOSLJWRZIOE-GFCCVEGCSA-N 0 3 252.317 3.115 20 30 CGEDHN C[C@H](CNCc1cc(C#N)cs1)N(C)Cc1ccccc1 ZINC000177698866 346251117 /nfs/dbraw/zinc/25/11/17/346251117.db2.gz KKXIZAVSIBVMFW-CQSZACIVSA-N 0 3 299.443 3.230 20 30 CGEDHN C=C[C@H](CO)N[C@H](CCC)c1cc(C)sc1C ZINC000624016553 349948074 /nfs/dbraw/zinc/94/80/74/349948074.db2.gz ZKXCFSJBGOSHBO-TZMCWYRMSA-N 0 3 253.411 3.343 20 30 CGEDHN C[C@@H](NCCc1ccc(CO)cc1)c1ccc(C#N)cc1F ZINC000305795496 346450550 /nfs/dbraw/zinc/45/05/50/346450550.db2.gz ACJRMPRJTRKXRR-CYBMUJFWSA-N 0 3 298.361 3.083 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc(Br)cn1 ZINC000309104058 346468414 /nfs/dbraw/zinc/46/84/14/346468414.db2.gz HCUUCSUCZLFWOS-JTQLQIEISA-N 0 3 269.186 3.461 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000593589703 347092344 /nfs/dbraw/zinc/09/23/44/347092344.db2.gz UQTXRHFXZUFXHT-OCCSQVGLSA-N 0 3 260.337 3.429 20 30 CGEDHN COc1ccc2c(c1)C[C@@H](NCC1(C#N)CCCC1)CC2 ZINC000593653522 347099947 /nfs/dbraw/zinc/09/99/47/347099947.db2.gz PCPVLYUFRAJQPI-INIZCTEOSA-N 0 3 284.403 3.226 20 30 CGEDHN COc1ccccc1C[C@H](C)NCC1(C#N)CCCC1 ZINC000593653409 347100028 /nfs/dbraw/zinc/10/00/28/347100028.db2.gz KGEAIOHYNWMDQF-AWEZNQCLSA-N 0 3 272.392 3.300 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593653756 347100455 /nfs/dbraw/zinc/10/04/55/347100455.db2.gz WNCKRMXGWMWJNL-WMZOPIPTSA-N 0 3 297.446 3.495 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@@H]2CCOc3ccccc32)C1 ZINC000397656156 346584067 /nfs/dbraw/zinc/58/40/67/346584067.db2.gz FZVSAWNTAGXXBT-GJZGRUSLSA-N 0 3 270.376 3.178 20 30 CGEDHN Cc1cnc(CCN(C)Cc2cccc(C#N)c2)c(C)c1 ZINC000401054750 346592095 /nfs/dbraw/zinc/59/20/95/346592095.db2.gz AXKKGCGHVUJDPO-UHFFFAOYSA-N 0 3 279.387 3.245 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000556415494 346656970 /nfs/dbraw/zinc/65/69/70/346656970.db2.gz PZYNESCZPDGUJV-CQSZACIVSA-N 0 3 257.381 3.477 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@@]1(C)CCCO1 ZINC000585726536 346727787 /nfs/dbraw/zinc/72/77/87/346727787.db2.gz QGTRJKSUQWWXHF-IAQYHMDHSA-N 0 3 278.783 3.259 20 30 CGEDHN CC[C@H](N[C@@H](C)COCC1CC1)c1ccc(C#N)cc1 ZINC000593724184 347108319 /nfs/dbraw/zinc/10/83/19/347108319.db2.gz YOBTVYMKQFOGRB-GUYCJALGSA-N 0 3 272.392 3.414 20 30 CGEDHN COc1cc(CN2CCC[C@H](C3CC3)C2)ccc1C#N ZINC000589209353 346790525 /nfs/dbraw/zinc/79/05/25/346790525.db2.gz HNVFNXYBWAFCPG-INIZCTEOSA-N 0 3 270.376 3.189 20 30 CGEDHN CCC(C)(C)N1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000594021870 347138586 /nfs/dbraw/zinc/13/85/86/347138586.db2.gz YVJXKMCDXQVTRM-UHFFFAOYSA-N 0 3 289.398 3.004 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594027611 347139500 /nfs/dbraw/zinc/13/95/00/347139500.db2.gz XIBXBJBIJUZOLF-KRWDZBQOSA-N 0 3 270.376 3.092 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)N1CCCCCc2ccccc21 ZINC000594433796 347174717 /nfs/dbraw/zinc/17/47/17/347174717.db2.gz STINRVXNPJDCJV-MRXNPFEDSA-N 0 3 299.418 3.157 20 30 CGEDHN CC(C)CC[C@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594445456 347174801 /nfs/dbraw/zinc/17/48/01/347174801.db2.gz GASFDWYGNUJMPA-HZPDHXFCSA-N 0 3 293.455 3.215 20 30 CGEDHN CCOC[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594501305 347180125 /nfs/dbraw/zinc/18/01/25/347180125.db2.gz UAGPTHGWIKLMQA-ZDUSSCGKSA-N 0 3 260.381 3.002 20 30 CGEDHN CC(C)(C#N)c1ccc(CNC2CC(F)(F)C2)cc1 ZINC000594504638 347180703 /nfs/dbraw/zinc/18/07/03/347180703.db2.gz QNVXHWJXJCJESO-UHFFFAOYSA-N 0 3 264.319 3.375 20 30 CGEDHN C=C[C@H](C)N[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594501913 347180714 /nfs/dbraw/zinc/18/07/14/347180714.db2.gz FHCBBEZQQDZEJO-NHYWBVRUSA-N 0 3 259.349 3.015 20 30 CGEDHN CC[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)CO1 ZINC000594959073 347240517 /nfs/dbraw/zinc/24/05/17/347240517.db2.gz RZQXJEKWTNUJNG-BZUAXINKSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCCSCCNCc1cc(OC)cc(OC)c1 ZINC000594960862 347241775 /nfs/dbraw/zinc/24/17/75/347241775.db2.gz YFVQJJQLPRMZHU-UHFFFAOYSA-N 0 3 281.421 3.103 20 30 CGEDHN C=CCCSCCNCc1cc2cnccc2o1 ZINC000594968052 347244573 /nfs/dbraw/zinc/24/45/73/347244573.db2.gz MRDILZSBXVEBPL-UHFFFAOYSA-N 0 3 262.378 3.227 20 30 CGEDHN C=CCCSCCNCc1cc(COC)cs1 ZINC000594969549 347245771 /nfs/dbraw/zinc/24/57/71/347245771.db2.gz XFKURDJRHXOSAS-UHFFFAOYSA-N 0 3 271.451 3.293 20 30 CGEDHN N#CC1(CN[C@H]2CCOC3(CCC3)C2)CCCCC1 ZINC000594981749 347248600 /nfs/dbraw/zinc/24/86/00/347248600.db2.gz UJKMCOWXWKASKZ-AWEZNQCLSA-N 0 3 262.397 3.152 20 30 CGEDHN C[C@H]1CC[C@H](NCC2(C#N)CCCCC2)CS1 ZINC000594982174 347248772 /nfs/dbraw/zinc/24/87/72/347248772.db2.gz ZZRIBFSBOSMQSQ-STQMWFEESA-N 0 3 252.427 3.334 20 30 CGEDHN C[C@H]1CC[C@@H](NCC2(C#N)CCCCC2)CS1 ZINC000594982172 347248843 /nfs/dbraw/zinc/24/88/43/347248843.db2.gz ZZRIBFSBOSMQSQ-QWHCGFSZSA-N 0 3 252.427 3.334 20 30 CGEDHN CCCCC[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000595260238 347286484 /nfs/dbraw/zinc/28/64/84/347286484.db2.gz YBSAUXMIAGMBGB-HOTGVXAUSA-N 0 3 293.455 3.359 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CCN(CCC2CCC2)CC1 ZINC000595377239 347297055 /nfs/dbraw/zinc/29/70/55/347297055.db2.gz NJTNRRRZDJSEHJ-GOSISDBHSA-N 0 3 283.419 3.059 20 30 CGEDHN CC[C@H](N[C@@H]1COC(C)(C)C1)c1ccc(C#N)cc1 ZINC000595051459 347269862 /nfs/dbraw/zinc/26/98/62/347269862.db2.gz UZCUHQGFFHNXLD-GJZGRUSLSA-N 0 3 258.365 3.166 20 30 CGEDHN N#CC[C@@H]1CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000595611726 347326314 /nfs/dbraw/zinc/32/63/14/347326314.db2.gz NMAPPGBYHNFHPF-ZDUSSCGKSA-N 0 3 278.783 3.344 20 30 CGEDHN COc1cncc(/C=C/CCN2CCC[C@@H](CC#N)C2)c1 ZINC000595622397 347329175 /nfs/dbraw/zinc/32/91/75/347329175.db2.gz ABZVGEMHTUWVPA-IJJSQOHJSA-N 0 3 285.391 3.119 20 30 CGEDHN COc1cccc(SCCN2CCC(CC#N)CC2)c1 ZINC000595428048 347302375 /nfs/dbraw/zinc/30/23/75/347302375.db2.gz ZGTDVKIXOWFNPW-UHFFFAOYSA-N 0 3 290.432 3.413 20 30 CGEDHN CN1CCN([C@@H](C#N)c2ccccc2)CC12CCCCC2 ZINC000595510050 347313640 /nfs/dbraw/zinc/31/36/40/347313640.db2.gz JMNQXPOOIOJEJY-KRWDZBQOSA-N 0 3 283.419 3.202 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H]3C2)c(OC(F)F)c1 ZINC000595805999 347357467 /nfs/dbraw/zinc/35/74/67/347357467.db2.gz CTIDPKBHEDUYEQ-DGCLKSJQSA-N 0 3 278.302 3.001 20 30 CGEDHN CN(c1ccccc1)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000595825759 347360885 /nfs/dbraw/zinc/36/08/85/347360885.db2.gz GITHRZPCVPFPTA-IBGZPJMESA-N 0 3 291.398 3.269 20 30 CGEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000595868693 347369291 /nfs/dbraw/zinc/36/92/91/347369291.db2.gz YGCNJKJWHIQPEZ-XJKSGUPXSA-N 0 3 285.391 3.150 20 30 CGEDHN N#Cc1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)s1 ZINC000595910333 347371713 /nfs/dbraw/zinc/37/17/13/347371713.db2.gz OZJCNRUYDQGSKT-IYBDPMFKSA-N 0 3 288.416 3.012 20 30 CGEDHN COCC1(NCc2ccc(C#N)cc2OC)CCCCC1 ZINC000595910177 347371874 /nfs/dbraw/zinc/37/18/74/347371874.db2.gz RKBYOKFSBIERSX-UHFFFAOYSA-N 0 3 288.391 3.006 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000597176233 347544412 /nfs/dbraw/zinc/54/44/12/347544412.db2.gz GSUZPIGFRVOAEI-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN CC(C)CN1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596980324 347523990 /nfs/dbraw/zinc/52/39/90/347523990.db2.gz MDGGVMRJWCCYHI-UHFFFAOYSA-N 0 3 297.446 3.015 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cc3ccncc3s2)C1 ZINC000597178063 347545536 /nfs/dbraw/zinc/54/55/36/347545536.db2.gz VBKKBXPRDKTESK-GFCCVEGCSA-N 0 3 271.389 3.422 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)NCC1(C#N)CCCCC1 ZINC000597215705 347556009 /nfs/dbraw/zinc/55/60/09/347556009.db2.gz LRBWQYNBPODTCS-AWEZNQCLSA-N 0 3 272.392 3.387 20 30 CGEDHN CC(C)(F)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000598199197 347634019 /nfs/dbraw/zinc/63/40/19/347634019.db2.gz NTJVILAEZWFVGC-AWEZNQCLSA-N 0 3 276.355 3.013 20 30 CGEDHN CC1(C)CC(NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000598505803 347662896 /nfs/dbraw/zinc/66/28/96/347662896.db2.gz YYZODAVAUJXFSI-AWEZNQCLSA-N 0 3 270.376 3.064 20 30 CGEDHN CC[C@@H](C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000597977971 347613337 /nfs/dbraw/zinc/61/33/37/347613337.db2.gz MMTQPDQHAXPAAA-GDBMZVCRSA-N 0 3 272.392 3.311 20 30 CGEDHN CC[C@H](C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000597977972 347613465 /nfs/dbraw/zinc/61/34/65/347613465.db2.gz MMTQPDQHAXPAAA-GOEBONIOSA-N 0 3 272.392 3.311 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(-c2ccccc2)o1 ZINC000598701431 347679936 /nfs/dbraw/zinc/67/99/36/347679936.db2.gz VDZAWKIUJXSKPN-OAHLLOKOSA-N 0 3 298.386 3.337 20 30 CGEDHN CCc1ccc([C@@H]2CCCN2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592295 347667642 /nfs/dbraw/zinc/66/76/42/347667642.db2.gz IZPSVRRFQZDFPD-HIFRSBDPSA-N 0 3 290.407 3.280 20 30 CGEDHN COc1ccc([C@@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C2)cc1F ZINC000599681207 347765018 /nfs/dbraw/zinc/76/50/18/347765018.db2.gz XALGEPQKVWFJKN-BPLDGKMQSA-N 0 3 288.366 3.316 20 30 CGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)CC1(C)COC1 ZINC000599573259 347755299 /nfs/dbraw/zinc/75/52/99/347755299.db2.gz OBIZVIYMJWFVQR-UHFFFAOYSA-N 0 3 298.308 3.045 20 30 CGEDHN C=C(CC)CN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587572 347755798 /nfs/dbraw/zinc/75/57/98/347755798.db2.gz FSMGCQUPVBGEDG-KGLIPLIRSA-N 0 3 267.413 3.252 20 30 CGEDHN N#CC1(CNC[C@H](O)CCc2ccccc2)CCCCC1 ZINC000600757242 347831852 /nfs/dbraw/zinc/83/18/52/347831852.db2.gz SUWLGTIATZYTGL-QGZVFWFLSA-N 0 3 286.419 3.044 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1F)C1CC(F)(F)C1 ZINC000600131659 347782536 /nfs/dbraw/zinc/78/25/36/347782536.db2.gz GGNNAIDRUWFHPE-VIFPVBQESA-N 0 3 268.282 3.221 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)[C@@H](C)O1 ZINC000601148839 347875139 /nfs/dbraw/zinc/87/51/39/347875139.db2.gz AYYSXDZVYXIYOH-XJKCOSOUSA-N 0 3 272.392 3.143 20 30 CGEDHN COc1ccc2c(c1)CC[C@@H]2NCC(C)(C)CC#N ZINC000601281920 347888790 /nfs/dbraw/zinc/88/87/90/347888790.db2.gz XGUFKHUSDDKAJE-HNNXBMFYSA-N 0 3 258.365 3.212 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1C(F)(F)F)CC2 ZINC000601306709 347890581 /nfs/dbraw/zinc/89/05/81/347890581.db2.gz PABSINUEIUXNQV-JHJVBQTASA-N 0 3 266.266 3.086 20 30 CGEDHN Cc1cc(F)ccc1N(CC#N)C(=O)C(C)C(F)(F)F ZINC000602386355 347952097 /nfs/dbraw/zinc/95/20/97/347952097.db2.gz JLPUWKGEIJDNBZ-SECBINFHSA-N 0 3 288.244 3.189 20 30 CGEDHN CC[C@@H](C)[C@@H](CN(C)Cc1ccc(C#N)cc1)OC ZINC000602438018 347958068 /nfs/dbraw/zinc/95/80/68/347958068.db2.gz GDYYVRKMYAJCPO-CZUORRHYSA-N 0 3 260.381 3.051 20 30 CGEDHN CC[C@@H](C)[C@@H](CN(C)Cc1cccc(C#N)c1)OC ZINC000602438798 347958235 /nfs/dbraw/zinc/95/82/35/347958235.db2.gz AOIBNSNKTWNXMI-CZUORRHYSA-N 0 3 260.381 3.051 20 30 CGEDHN C[C@@H]1CCN(Cc2cccc(C#N)n2)[C@@H]2CCCC[C@H]12 ZINC000602444334 347959037 /nfs/dbraw/zinc/95/90/37/347959037.db2.gz GPAIOEFFZWMLBW-KBRIMQKVSA-N 0 3 269.392 3.354 20 30 CGEDHN CC(C)C[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602480770 347965677 /nfs/dbraw/zinc/96/56/77/347965677.db2.gz BTBZFNAJHWYJSC-AWEZNQCLSA-N 0 3 257.381 3.211 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000602512793 347973487 /nfs/dbraw/zinc/97/34/87/347973487.db2.gz NGUWDRWIDADSFS-RRFJBIMHSA-N 0 3 269.392 3.402 20 30 CGEDHN CC[C@@H](NC[C@@H](C)CCC#N)c1nc(C)cs1 ZINC000602564790 347983512 /nfs/dbraw/zinc/98/35/12/347983512.db2.gz NXYVNHFZHLILPD-CMPLNLGQSA-N 0 3 251.399 3.432 20 30 CGEDHN CC[C@@](C)(CN[C@H](CCC#N)c1ccccc1)OC ZINC000602584014 347988923 /nfs/dbraw/zinc/98/89/23/347988923.db2.gz VWTPMPLPCIPDEB-CVEARBPZSA-N 0 3 260.381 3.436 20 30 CGEDHN C[C@@H](CCCC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602632578 347997668 /nfs/dbraw/zinc/99/76/68/347997668.db2.gz CMRSRCQFTGBCMR-JTQLQIEISA-N 0 3 271.286 3.164 20 30 CGEDHN Cc1cccc([C@H]2CCCN2CC2(CC#N)CC2)n1 ZINC000602784765 348028474 /nfs/dbraw/zinc/02/84/74/348028474.db2.gz KBEMRZJRWUCLLL-OAHLLOKOSA-N 0 3 255.365 3.221 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1CC1(F)F ZINC000602657274 348002750 /nfs/dbraw/zinc/00/27/50/348002750.db2.gz DACAMDFYPPUDKL-KWQFWETISA-N 0 3 270.710 3.345 20 30 CGEDHN C[C@@H](NC[C@@H](C)CCC#N)c1nccn1-c1ccccc1 ZINC000602667826 348004890 /nfs/dbraw/zinc/00/48/90/348004890.db2.gz UJBBRNMSCHGSKH-LSDHHAIUSA-N 0 3 282.391 3.463 20 30 CGEDHN C[C@@H](CCC#N)CN1Cc2ccccc2O[C@@H](C)C1 ZINC000602670656 348004941 /nfs/dbraw/zinc/00/49/41/348004941.db2.gz BJQLRIAYTFPGIS-KBPBESRZSA-N 0 3 258.365 3.209 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2cccc(C#N)n2)[C@@H]1C(C)C ZINC000602683048 348008252 /nfs/dbraw/zinc/00/82/52/348008252.db2.gz OTCCKCHMFLNFRY-JKSUJKDBSA-N 0 3 257.381 3.066 20 30 CGEDHN Cc1ccc(NC(=O)CNC[C@H](C)CCC#N)c(Cl)c1 ZINC000602695416 348011036 /nfs/dbraw/zinc/01/10/36/348011036.db2.gz TVAPTDSRQHQJMX-GFCCVEGCSA-N 0 3 293.798 3.116 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(C#N)n2)CCc2ccc(F)cc21 ZINC000602703723 348013695 /nfs/dbraw/zinc/01/36/95/348013695.db2.gz CMCICFCYUIZMBH-CYBMUJFWSA-N 0 3 295.361 3.254 20 30 CGEDHN COc1cc(C)c(CN(C)CC2(CC#N)CC2)cc1OC ZINC000602756736 348023668 /nfs/dbraw/zinc/02/36/68/348023668.db2.gz OKUWGNRPIIZEMN-UHFFFAOYSA-N 0 3 288.391 3.138 20 30 CGEDHN CN(CCOc1ccccc1Cl)CC1(CC#N)CC1 ZINC000602757494 348023694 /nfs/dbraw/zinc/02/36/94/348023694.db2.gz GYBHCNDBBVJXRM-UHFFFAOYSA-N 0 3 278.783 3.344 20 30 CGEDHN CC(C)c1cc(Cl)ccc1NC(=O)[C@H](N)CCCC#N ZINC000602560125 347982254 /nfs/dbraw/zinc/98/22/54/347982254.db2.gz BUUPBGYEAYWRKE-CYBMUJFWSA-N 0 3 293.798 3.423 20 30 CGEDHN N#CCC1(CN2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000602790955 348030590 /nfs/dbraw/zinc/03/05/90/348030590.db2.gz AIVZKMDQIIYVDF-UHFFFAOYSA-N 0 3 294.402 3.436 20 30 CGEDHN CN(CC1(CC#N)CC1)CC1(c2ccccc2)CC1 ZINC000602817126 348033077 /nfs/dbraw/zinc/03/30/77/348033077.db2.gz WYYZMKYGDOVOKD-UHFFFAOYSA-N 0 3 254.377 3.344 20 30 CGEDHN N#CCC1(CN2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000602823316 348033947 /nfs/dbraw/zinc/03/39/47/348033947.db2.gz CPSWOOVVZRDQEE-HNNXBMFYSA-N 0 3 298.434 3.093 20 30 CGEDHN Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)cc1C#N ZINC000602918613 348043646 /nfs/dbraw/zinc/04/36/46/348043646.db2.gz VIAFRAJNCBCVIN-MOPGFXCFSA-N 0 3 292.382 3.487 20 30 CGEDHN C[C@@H]1CCN(Cc2ccnc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000610991894 348413848 /nfs/dbraw/zinc/41/38/48/348413848.db2.gz NTUNLGVAYLBGAO-COXVUDFISA-N 0 3 269.392 3.354 20 30 CGEDHN CO[C@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614164686 348653782 /nfs/dbraw/zinc/65/37/82/348653782.db2.gz PZRYWPZVJZSQCJ-INIZCTEOSA-N 0 3 272.392 3.099 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1C)c1c(C)nn(C)c1C ZINC000614405674 348675004 /nfs/dbraw/zinc/67/50/04/348675004.db2.gz AYUJWYDOLQUMON-QGZVFWFLSA-N 0 3 296.418 3.458 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1C)c1c(C)nn(C)c1C ZINC000614405673 348675039 /nfs/dbraw/zinc/67/50/39/348675039.db2.gz AYUJWYDOLQUMON-KRWDZBQOSA-N 0 3 296.418 3.458 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCOC(F)(F)F ZINC000616094729 348786360 /nfs/dbraw/zinc/78/63/60/348786360.db2.gz WECCSQPQFXZAHI-ZDUSSCGKSA-N 0 3 284.281 3.062 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CS1 ZINC000617099133 348917644 /nfs/dbraw/zinc/91/76/44/348917644.db2.gz XEKSMUWZUUITTD-HIFRSBDPSA-N 0 3 278.396 3.317 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCCC1 ZINC000617340316 348949250 /nfs/dbraw/zinc/94/92/50/348949250.db2.gz YPTTZXRCQZMXMW-AWEZNQCLSA-N 0 3 278.440 3.112 20 30 CGEDHN COc1ccc(C)cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000618571371 349108891 /nfs/dbraw/zinc/10/88/91/349108891.db2.gz FOAJVYGLLVSQRE-UKRRQHHQSA-N 0 3 258.365 3.176 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(F)cc1 ZINC000618741994 349152240 /nfs/dbraw/zinc/15/22/40/349152240.db2.gz OHICFJRYAUMMBQ-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(O)cc1 ZINC000618831427 349158294 /nfs/dbraw/zinc/15/82/94/349158294.db2.gz QKODXLAAHVFDNX-QGZVFWFLSA-N 0 3 264.328 3.041 20 30 CGEDHN C[C@H](CSc1ccc(C#N)cc1Cl)N(C)C ZINC000358857105 233204112 /nfs/dbraw/zinc/20/41/12/233204112.db2.gz YBUOWLBXSCYRMS-SECBINFHSA-N 0 3 254.786 3.254 20 30 CGEDHN C[C@H]1C[C@H](C)N1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000619431651 349249602 /nfs/dbraw/zinc/24/96/02/349249602.db2.gz UKXAHXJOUJJZCY-GJZGRUSLSA-N 0 3 294.402 3.446 20 30 CGEDHN COc1cccc(CNCC2CCC(C#N)CC2)c1F ZINC000619715493 349278176 /nfs/dbraw/zinc/27/81/76/349278176.db2.gz WBICVSLQOGRDEQ-UHFFFAOYSA-N 0 3 276.355 3.254 20 30 CGEDHN C[C@H](NCC1(C(F)F)CC1)c1ccc(C#N)c(F)c1 ZINC000359003539 233237428 /nfs/dbraw/zinc/23/74/28/233237428.db2.gz RWMCUTYWCLZTSM-VIFPVBQESA-N 0 3 268.282 3.393 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000625703244 350200003 /nfs/dbraw/zinc/20/00/03/350200003.db2.gz ZJKAOWPNJOKDPX-LBPRGKRZSA-N 0 3 277.339 3.090 20 30 CGEDHN C=CC(C)(C)CCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000625897499 350225304 /nfs/dbraw/zinc/22/53/04/350225304.db2.gz FWPGHAYHSHHELD-UHFFFAOYSA-N 0 3 273.380 3.014 20 30 CGEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1snc(Cl)c1C#N ZINC000271354509 191092224 /nfs/dbraw/zinc/09/22/24/191092224.db2.gz TZLGPOAGFCGWLP-ZJUUUORDSA-N 0 3 298.843 3.200 20 30 CGEDHN C=CCN(C[C@H](O)c1ccccc1Br)C1CC1 ZINC000271372012 191102892 /nfs/dbraw/zinc/10/28/92/191102892.db2.gz HAAXOBMWRYPEBM-AWEZNQCLSA-N 0 3 296.208 3.133 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000628405441 350528442 /nfs/dbraw/zinc/52/84/42/350528442.db2.gz MDJJPEFGHDMRTE-CQSZACIVSA-N 0 3 285.366 3.409 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc3c(C)cccn23)C1 ZINC000628405184 350528950 /nfs/dbraw/zinc/52/89/50/350528950.db2.gz FZZZTKNPFCNJTE-CQSZACIVSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CCCOc1ccccc1-c1cnn(CCN(C)C)c1 ZINC000629736696 350758892 /nfs/dbraw/zinc/75/88/92/350758892.db2.gz USHHLKZDEFUMMT-UHFFFAOYSA-N 0 3 285.391 3.067 20 30 CGEDHN C=CCCC(C)(C)CNCc1cc2n(n1)CCCC2 ZINC000631220007 350995221 /nfs/dbraw/zinc/99/52/21/350995221.db2.gz OJMVEAVJSWVLRW-UHFFFAOYSA-N 0 3 261.413 3.301 20 30 CGEDHN C=CCCOCCN[C@H](CCC)c1cc(C)ccn1 ZINC000631604141 351087928 /nfs/dbraw/zinc/08/79/28/351087928.db2.gz ZMIACIFXCOPCGX-OAHLLOKOSA-N 0 3 262.397 3.414 20 30 CGEDHN C=C(Cl)CN[C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000271560711 191213281 /nfs/dbraw/zinc/21/32/81/191213281.db2.gz XLYBHUJTLNOCRK-ZDUSSCGKSA-N 0 3 282.815 3.030 20 30 CGEDHN CC(C)(O)CN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000271557118 191211682 /nfs/dbraw/zinc/21/16/82/191211682.db2.gz NQRWGSHPYAINFK-UHFFFAOYSA-N 0 3 294.398 3.331 20 30 CGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccs1 ZINC000156162393 188246158 /nfs/dbraw/zinc/24/61/58/188246158.db2.gz JULXAEAFVYSECC-GFCCVEGCSA-N 0 3 272.373 3.349 20 30 CGEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157184118 188301786 /nfs/dbraw/zinc/30/17/86/188301786.db2.gz SJDYVITUPYEGGV-LLVKDONJSA-N 0 3 291.395 3.075 20 30 CGEDHN CCC[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093704730 138347919 /nfs/dbraw/zinc/34/79/19/138347919.db2.gz ZKYHURRUUPCCQD-CQSZACIVSA-N 0 3 282.391 3.218 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC000129959227 138398754 /nfs/dbraw/zinc/39/87/54/138398754.db2.gz TXBPGNBFPVOBHU-ZIAGYGMSSA-N 0 3 278.421 3.255 20 30 CGEDHN CCCN(Cc1ccc(Cl)cc1C#N)CC(C)(C)O ZINC000360051030 283293890 /nfs/dbraw/zinc/29/38/90/283293890.db2.gz DQDPDAFSISFARI-UHFFFAOYSA-N 0 3 280.799 3.195 20 30 CGEDHN C[C@H](NCC1CC(F)(F)C1)c1ccc(C#N)cc1F ZINC000425952595 236275393 /nfs/dbraw/zinc/27/53/93/236275393.db2.gz PSTGSXRYGFLSJZ-VIFPVBQESA-N 0 3 268.282 3.393 20 30 CGEDHN N#Cc1cccc(CN2CCC(C(F)F)CC2)c1 ZINC000307878018 138579658 /nfs/dbraw/zinc/57/96/58/138579658.db2.gz KGTJFQFGOJKWGD-UHFFFAOYSA-N 0 3 250.292 3.035 20 30 CGEDHN C=CCCCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000177445348 189051407 /nfs/dbraw/zinc/05/14/07/189051407.db2.gz YWCHDYVKUPJGRA-RDJZCZTQSA-N 0 3 286.419 3.122 20 30 CGEDHN CCO[C@@H](CCNCc1ccc(C#N)o1)C1CCCC1 ZINC000177583731 189058646 /nfs/dbraw/zinc/05/86/46/189058646.db2.gz YCGSRCCWENRJGZ-INIZCTEOSA-N 0 3 276.380 3.226 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2ccc(OC)cc2F)CC1 ZINC000177905426 189078441 /nfs/dbraw/zinc/07/84/41/189078441.db2.gz SHMVMWJYZVYFKS-CYBMUJFWSA-N 0 3 292.398 3.135 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cscc1C#N ZINC000342050836 216201875 /nfs/dbraw/zinc/20/18/75/216201875.db2.gz CSCNFHQUZCJOEQ-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@@H](C=C)c2ccccc2)CC1 ZINC000179344263 189187482 /nfs/dbraw/zinc/18/74/82/189187482.db2.gz JHJMBSQPKJWQMQ-MRXNPFEDSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](CC)c1cc(F)ccc1F ZINC000179796260 189220715 /nfs/dbraw/zinc/22/07/15/189220715.db2.gz FCUDHQWPGLSVGP-IUODEOHRSA-N 0 3 269.335 3.333 20 30 CGEDHN N#Cc1ccccc1-c1ccc(CN[C@@H]2CCOC2)cc1 ZINC000180335754 189250634 /nfs/dbraw/zinc/25/06/34/189250634.db2.gz ARGCDLOJTTZEJZ-QGZVFWFLSA-N 0 3 278.355 3.104 20 30 CGEDHN COCC(C)(C)CCCNCc1ccc(C#N)cc1F ZINC000342290128 216291927 /nfs/dbraw/zinc/29/19/27/216291927.db2.gz WNDWCLZYKCXBGU-UHFFFAOYSA-N 0 3 278.371 3.240 20 30 CGEDHN Cc1cnc([C@H](C)CNCc2ccc(C#N)s2)s1 ZINC000184346972 189383426 /nfs/dbraw/zinc/38/34/26/189383426.db2.gz RFBUQGVYXOIZGG-SECBINFHSA-N 0 3 277.418 3.278 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1OC ZINC000184277724 189381574 /nfs/dbraw/zinc/38/15/74/189381574.db2.gz HADSDUGJJHHKFU-NSHDSACASA-N 0 3 290.190 3.029 20 30 CGEDHN C=CCCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184593974 189390194 /nfs/dbraw/zinc/39/01/94/189390194.db2.gz NGYMAWNDJYYZTN-MRXNPFEDSA-N 0 3 273.355 3.204 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@@H](C)C(C)(C)CN(C)C)c1 ZINC000302083876 201336799 /nfs/dbraw/zinc/33/67/99/201336799.db2.gz DFSPSMZBRQLTCP-ZDUSSCGKSA-N 0 3 287.407 3.149 20 30 CGEDHN CCCN1CCC(Nc2cc(C#N)ccc2C(C)=O)CC1 ZINC000302089686 201339197 /nfs/dbraw/zinc/33/91/97/201339197.db2.gz GHIGXPVAKDJZJX-UHFFFAOYSA-N 0 3 285.391 3.047 20 30 CGEDHN C=CCOc1ccccc1CN(C)C[C@@H]1CCCOC1 ZINC000119753621 370705275 /nfs/dbraw/zinc/70/52/75/370705275.db2.gz MLSPJACHNVOQCW-HNNXBMFYSA-N 0 3 275.392 3.110 20 30 CGEDHN COc1cc(C#N)ccc1CN[C@H]1CC(C)(C)OC1(C)C ZINC000119901058 370720686 /nfs/dbraw/zinc/72/06/86/370720686.db2.gz XIVGNUQSQZAINN-HNNXBMFYSA-N 0 3 288.391 3.003 20 30 CGEDHN CC(C)[C@@H](CO)[C@@H](NCc1ccc(F)cc1C#N)C(C)C ZINC000451615699 240335908 /nfs/dbraw/zinc/33/59/08/240335908.db2.gz QGVKXLBGQQTQBD-SJORKVTESA-N 0 3 292.398 3.076 20 30 CGEDHN C=CCC[C@H](O)CN(Cc1ccc(F)cc1)C1CC1 ZINC000121362114 370854244 /nfs/dbraw/zinc/85/42/44/370854244.db2.gz YDYALSZTBQZPCN-INIZCTEOSA-N 0 3 263.356 3.117 20 30 CGEDHN C=CCN(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000121523816 370869177 /nfs/dbraw/zinc/86/91/77/370869177.db2.gz RMRNOIOCLPDVOC-UHFFFAOYSA-N 0 3 268.360 3.278 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121786481 370895768 /nfs/dbraw/zinc/89/57/68/370895768.db2.gz VGNUNSDJXKVKPT-JQHSSLGASA-N 0 3 299.414 3.299 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C(CCC)CCC)CC1 ZINC000122035167 370902962 /nfs/dbraw/zinc/90/29/62/370902962.db2.gz RCTVKENGGXCLTA-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccsc1 ZINC000122866600 370907470 /nfs/dbraw/zinc/90/74/70/370907470.db2.gz OAZHTLPNASVQOT-LLVKDONJSA-N 0 3 281.340 3.125 20 30 CGEDHN C=C[C@H](C)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000123206399 370910036 /nfs/dbraw/zinc/91/00/36/370910036.db2.gz VECCCFNGHOCXCR-JTQLQIEISA-N 0 3 271.307 3.351 20 30 CGEDHN CC(C)[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCCC1 ZINC000330617124 203043373 /nfs/dbraw/zinc/04/33/73/203043373.db2.gz WECVFTXBVBYZKW-MRXNPFEDSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@H]1c2ccsc2CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000042764619 369231252 /nfs/dbraw/zinc/23/12/52/369231252.db2.gz BDNPMWQLEDASSR-LRDDRELGSA-N 0 3 298.411 3.272 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1C=CCC1)C(C)C ZINC000046049252 369288362 /nfs/dbraw/zinc/28/83/62/369288362.db2.gz ATRBDQLEJBIETH-DLBZAZTESA-N 0 3 290.451 3.158 20 30 CGEDHN C=CCN(CC=C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000051766984 369455246 /nfs/dbraw/zinc/45/52/46/369455246.db2.gz ISBDSHHSSBTDKC-SFHVURJKSA-N 0 3 298.430 3.244 20 30 CGEDHN N#Cc1ccc(CNCCCOc2ccccc2)c(F)c1 ZINC000052092341 369463834 /nfs/dbraw/zinc/46/38/34/369463834.db2.gz NOMOUWZPYKMZEQ-UHFFFAOYSA-N 0 3 284.334 3.256 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000276364906 193301179 /nfs/dbraw/zinc/30/11/79/193301179.db2.gz GEAUGQZDSMJCFR-CQSZACIVSA-N 0 3 292.448 3.159 20 30 CGEDHN CN(CCNc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000062010374 369613658 /nfs/dbraw/zinc/61/36/58/369613658.db2.gz CQOCSHWEKHOCMT-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN CC1CCN(CCNc2cc(Cl)ccc2C#N)CC1 ZINC000062785378 369630374 /nfs/dbraw/zinc/63/03/74/369630374.db2.gz ABXVSFHATBOCEZ-UHFFFAOYSA-N 0 3 277.799 3.355 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899461 369708785 /nfs/dbraw/zinc/70/87/85/369708785.db2.gz XWAOIQIODUZUPG-CQSZACIVSA-N 0 3 259.349 3.171 20 30 CGEDHN C=CCOc1ccc(CNC(C)(C)COC)cc1Cl ZINC000066995918 369710812 /nfs/dbraw/zinc/71/08/12/369710812.db2.gz SPYBULWCNJNDIF-UHFFFAOYSA-N 0 3 283.799 3.419 20 30 CGEDHN C=CCN(CCc1ccccc1)CCc1ccccn1 ZINC000065959846 369687236 /nfs/dbraw/zinc/68/72/36/369687236.db2.gz ZHXHVMZQNHGGMW-UHFFFAOYSA-N 0 3 266.388 3.355 20 30 CGEDHN CC1(C)CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000070259012 369793346 /nfs/dbraw/zinc/79/33/46/369793346.db2.gz GNDAYCCGLVMXQH-UHFFFAOYSA-N 0 3 258.365 3.059 20 30 CGEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000093250925 370113659 /nfs/dbraw/zinc/11/36/59/370113659.db2.gz SUAMKEGKXXDUFQ-KBPBESRZSA-N 0 3 287.407 3.253 20 30 CGEDHN C[C@@H]1C[C@H](Nc2cc(C#N)c3ccccc3n2)CCN1C ZINC000090795398 370069669 /nfs/dbraw/zinc/06/96/69/370069669.db2.gz CFDIMVCUVOGHPL-TZMCWYRMSA-N 0 3 280.375 3.001 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2cc(OC)ccc21 ZINC000090883604 370069849 /nfs/dbraw/zinc/06/98/49/370069849.db2.gz LRJDZFCSPUDAMT-QGZVFWFLSA-N 0 3 275.392 3.255 20 30 CGEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccc(C#N)o1 ZINC000092042885 370089984 /nfs/dbraw/zinc/08/99/84/370089984.db2.gz MCBXSFSXXZFEJW-GJZGRUSLSA-N 0 3 276.380 3.177 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cnn(CC)c1 ZINC000092505645 370097689 /nfs/dbraw/zinc/09/76/89/370097689.db2.gz CXLLGTPVGHTOKJ-UHFFFAOYSA-N 0 3 269.392 3.134 20 30 CGEDHN CCS[C@H]1CCCCN(Cc2ccc(C#N)o2)C1 ZINC000093361766 370120680 /nfs/dbraw/zinc/12/06/80/370120680.db2.gz PGCNICBDULCUSL-AWEZNQCLSA-N 0 3 264.394 3.259 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(SCC)cc1 ZINC000103499902 370330677 /nfs/dbraw/zinc/33/06/77/370330677.db2.gz FVSBUMUCIDGXAN-CHWSQXEVSA-N 0 3 292.448 3.140 20 30 CGEDHN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC(C)C ZINC000114725346 370510345 /nfs/dbraw/zinc/51/03/45/370510345.db2.gz ZECIHGLKQPZESL-UHFFFAOYSA-N 0 3 293.798 3.128 20 30 CGEDHN C=C(Cl)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000131056441 371079780 /nfs/dbraw/zinc/07/97/80/371079780.db2.gz ITNHTTDEWURZLM-UHFFFAOYSA-N 0 3 293.720 3.360 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(Br)c(F)c1 ZINC000131679831 371123509 /nfs/dbraw/zinc/12/35/09/371123509.db2.gz PGWMIADSKYUBJE-MRVPVSSYSA-N 0 3 258.134 3.252 20 30 CGEDHN C=CCCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000132660176 371192145 /nfs/dbraw/zinc/19/21/45/371192145.db2.gz ZGCINBXXKCYIQB-INIZCTEOSA-N 0 3 263.356 3.383 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000133198354 371234772 /nfs/dbraw/zinc/23/47/72/371234772.db2.gz ZIGNTTLUKBZUFQ-GJZGRUSLSA-N 0 3 290.407 3.307 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000133201173 371235305 /nfs/dbraw/zinc/23/53/05/371235305.db2.gz YJRLSVLONUGXTL-OLZOCXBDSA-N 0 3 297.402 3.316 20 30 CGEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)cc1 ZINC000134227172 371313490 /nfs/dbraw/zinc/31/34/90/371313490.db2.gz DIUDSWGKOGLAOG-IFXJQAMLSA-N 0 3 292.382 3.382 20 30 CGEDHN CS[C@@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000134565716 371350052 /nfs/dbraw/zinc/35/00/52/371350052.db2.gz DXVQZYTWPWSHNN-OAHLLOKOSA-N 0 3 260.406 3.276 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000135143279 371394531 /nfs/dbraw/zinc/39/45/31/371394531.db2.gz GVPYVIDFZYHASQ-ZJUUUORDSA-N 0 3 272.270 3.362 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000136958596 371489121 /nfs/dbraw/zinc/48/91/21/371489121.db2.gz JARFWTGEXHSGMG-JSGCOSHPSA-N 0 3 275.352 3.198 20 30 CGEDHN Cc1nc(CN)ccc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000422977667 371899692 /nfs/dbraw/zinc/89/96/92/371899692.db2.gz XEOYWBDJRYDRRG-QWHCGFSZSA-N 0 3 294.402 3.132 20 30 CGEDHN C[C@@H](NCCn1cnc2ccccc21)c1ccc(C#N)cc1 ZINC000344153972 217077626 /nfs/dbraw/zinc/07/76/26/217077626.db2.gz YPFFVLOTSZQAML-CQSZACIVSA-N 0 3 290.370 3.259 20 30 CGEDHN CC#CCN1CCC(c2c[nH]c3ccccc23)CC1 ZINC000157528068 372025847 /nfs/dbraw/zinc/02/58/47/372025847.db2.gz MKVZNLJZEVETPL-UHFFFAOYSA-N 0 3 252.361 3.371 20 30 CGEDHN CCCN(Cc1[nH]ncc1C)Cc1ccc(C#N)cc1 ZINC000290510854 372005943 /nfs/dbraw/zinc/00/59/43/372005943.db2.gz TXVPJHKXCOQCBR-UHFFFAOYSA-N 0 3 268.364 3.002 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000424750219 372097598 /nfs/dbraw/zinc/09/75/98/372097598.db2.gz KLOGMSXTXKIPHC-HOTGVXAUSA-N 0 3 286.419 3.150 20 30 CGEDHN C=CCN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000291163324 372130783 /nfs/dbraw/zinc/13/07/83/372130783.db2.gz MHKWIDPAQMRRSK-CQSZACIVSA-N 0 3 285.309 3.389 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000292490064 372195264 /nfs/dbraw/zinc/19/52/64/372195264.db2.gz WNOXURPVESJJNI-OAHLLOKOSA-N 0 3 290.451 3.088 20 30 CGEDHN C=CCC[C@@H](NCC(=O)N(CC)CC)c1ccccc1 ZINC000159934373 372195912 /nfs/dbraw/zinc/19/59/12/372195912.db2.gz OHBTVGMOPRVLNC-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN CCC1(CC)[C@@H](NCc2cc(C#N)ccc2F)C[C@@H]1OC ZINC000344292709 217135624 /nfs/dbraw/zinc/13/56/24/217135624.db2.gz GCRWJTMYUBIIIV-HOTGVXAUSA-N 0 3 290.382 3.381 20 30 CGEDHN CC(C)(CO)[C@H](NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000293088412 372295916 /nfs/dbraw/zinc/29/59/16/372295916.db2.gz PGKNJWAYLZOKGV-MRXNPFEDSA-N 0 3 291.822 3.078 20 30 CGEDHN CCN(Cc1cccc(F)c1C#N)[C@H]1CCOC(C)(C)C1 ZINC000428940007 372284687 /nfs/dbraw/zinc/28/46/87/372284687.db2.gz BKLMEXVAMQAPSX-AWEZNQCLSA-N 0 3 290.382 3.477 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000429801866 372379855 /nfs/dbraw/zinc/37/98/55/372379855.db2.gz BGQYYBLREYEODW-INIZCTEOSA-N 0 3 288.435 3.316 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccccc1 ZINC000433116519 372581951 /nfs/dbraw/zinc/58/19/51/372581951.db2.gz MHWIPWRCSZJNIZ-SFHVURJKSA-N 0 3 292.382 3.118 20 30 CGEDHN CC[C@H](C)[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433354500 372597847 /nfs/dbraw/zinc/59/78/47/372597847.db2.gz NJMXIXADRDNAPT-LZWOXQAQSA-N 0 3 272.392 3.310 20 30 CGEDHN C#CCOc1ccccc1CNCC(C)(C)c1ccccn1 ZINC000295116682 372693378 /nfs/dbraw/zinc/69/33/78/372693378.db2.gz MLVLPRIBXMFBKT-UHFFFAOYSA-N 0 3 294.398 3.161 20 30 CGEDHN N#Cc1cccnc1OC1CCC(NCc2ccco2)CC1 ZINC000438471925 372959183 /nfs/dbraw/zinc/95/91/83/372959183.db2.gz NAQQDIPOMPPCFU-UHFFFAOYSA-N 0 3 297.358 3.026 20 30 CGEDHN COc1cc(CN2CCCC[C@@H](C)C2)ccc1C#N ZINC000442836869 373100820 /nfs/dbraw/zinc/10/08/20/373100820.db2.gz IVGMIFVTKCWALC-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN CSCc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442878480 373113574 /nfs/dbraw/zinc/11/35/74/373113574.db2.gz UEDKPQYDTJFBLM-SWLSCSKDSA-N 0 3 260.406 3.331 20 30 CGEDHN COCC1(C)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000442907799 373125321 /nfs/dbraw/zinc/12/53/21/373125321.db2.gz ZZTNRWCBKVBUBJ-CQSZACIVSA-N 0 3 272.392 3.368 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000444624445 373214009 /nfs/dbraw/zinc/21/40/09/373214009.db2.gz LYBVKMBMUNLUQZ-RYUDHWBXSA-N 0 3 292.345 3.094 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCCC(C)(F)F)cc1 ZINC000297453271 373272182 /nfs/dbraw/zinc/27/21/82/373272182.db2.gz XESFAZRDDRDARD-GFCCVEGCSA-N 0 3 267.319 3.395 20 30 CGEDHN C=CC[C@@H]1N(CCn2c(C)csc2=O)CCCC1(C)C ZINC000444786477 373273638 /nfs/dbraw/zinc/27/36/38/373273638.db2.gz UWIINIQNOZTRBZ-AWEZNQCLSA-N 0 3 294.464 3.285 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446845396 373371825 /nfs/dbraw/zinc/37/18/25/373371825.db2.gz ZOUOACVLDCNPON-QWRGUYRKSA-N 0 3 288.351 3.161 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCCCC2)CCCCC1 ZINC000448705091 373635522 /nfs/dbraw/zinc/63/55/22/373635522.db2.gz ACXUGWIPGKSGQN-UHFFFAOYSA-N 0 3 278.440 3.115 20 30 CGEDHN C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000448702148 373635616 /nfs/dbraw/zinc/63/56/16/373635616.db2.gz RPOHWMCPQGNOBE-RDTXWAMCSA-N 0 3 297.402 3.161 20 30 CGEDHN C=CC[C@@H]1N(Cc2ccnc(OC)n2)CCCC1(C)C ZINC000449284413 373676390 /nfs/dbraw/zinc/67/63/90/373676390.db2.gz OTVNDFONWHJELQ-AWEZNQCLSA-N 0 3 275.396 3.052 20 30 CGEDHN C[C@@]12CN(Cc3cc(C#N)cs3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448264 373729904 /nfs/dbraw/zinc/72/99/04/373729904.db2.gz GMYLFHPWHYBJNM-CLWVCHIJSA-N 0 3 270.401 3.264 20 30 CGEDHN CC[C@H]1CCCCN1CCNc1snc(Cl)c1C#N ZINC000301292940 373733344 /nfs/dbraw/zinc/73/33/44/373733344.db2.gz UNGZHXTYMYQAMT-JTQLQIEISA-N 0 3 298.843 3.345 20 30 CGEDHN CCCCN1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000301328005 373747167 /nfs/dbraw/zinc/74/71/67/373747167.db2.gz AEFYTGCCGZSBOO-UHFFFAOYSA-N 0 3 298.843 3.345 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000179653314 373898168 /nfs/dbraw/zinc/89/81/68/373898168.db2.gz OFXSXIABZUXAEK-GOSISDBHSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C(CC)CNCc1c[nH]nc1-c1cccc(C)c1 ZINC000449733478 373861394 /nfs/dbraw/zinc/86/13/94/373861394.db2.gz OSUPSJXYOYFQSQ-UHFFFAOYSA-N 0 3 255.365 3.441 20 30 CGEDHN Cc1ccc(NC[C@H](c2cccc(F)c2)N(C)C)nc1C#N ZINC000302737099 373947263 /nfs/dbraw/zinc/94/72/63/373947263.db2.gz ZYNLICUWYGJXGY-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN C=CCN1CCC(Nc2ccnc3c(F)cccc23)CC1 ZINC000302713235 373937163 /nfs/dbraw/zinc/93/71/63/373937163.db2.gz XJJSJPKOZISIOY-UHFFFAOYSA-N 0 3 285.366 3.436 20 30 CGEDHN C[C@@H]1CCCN(C(C)(C)CNc2c(C#N)cccc2C#N)C1 ZINC000302888875 374000324 /nfs/dbraw/zinc/00/03/24/374000324.db2.gz OSUCHLGWNMKYCE-CQSZACIVSA-N 0 3 296.418 3.352 20 30 CGEDHN CO[C@H](Cc1ccccc1)CN(C)Cc1cccc(C#N)c1 ZINC000450225235 374008172 /nfs/dbraw/zinc/00/81/72/374008172.db2.gz FVIAPJJQFUJUJG-LJQANCHMSA-N 0 3 294.398 3.248 20 30 CGEDHN CCc1cc(N(C)Cc2ccc(C#N)cc2)ccn1 ZINC000450240560 374016356 /nfs/dbraw/zinc/01/63/56/374016356.db2.gz HZKOOHGBMHXCOY-UHFFFAOYSA-N 0 3 251.333 3.152 20 30 CGEDHN C=CCOCCN[C@H](C)c1cccc(Br)c1 ZINC000303548284 374020950 /nfs/dbraw/zinc/02/09/50/374020950.db2.gz LXWDZCFYWPYJRM-LLVKDONJSA-N 0 3 284.197 3.302 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1ccccc1OC ZINC000181767794 374168825 /nfs/dbraw/zinc/16/88/25/374168825.db2.gz OFLVXWMAAZMYMS-HNNXBMFYSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1ccccc1OC ZINC000181767816 374169882 /nfs/dbraw/zinc/16/98/82/374169882.db2.gz OFLVXWMAAZMYMS-OAHLLOKOSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182578647 374291396 /nfs/dbraw/zinc/29/13/96/374291396.db2.gz MRDPVXLMJYERNO-INIZCTEOSA-N 0 3 292.810 3.073 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000182644934 374304194 /nfs/dbraw/zinc/30/41/94/374304194.db2.gz YEHRGVJILPFYFT-YJNKXOJESA-N 0 3 266.429 3.109 20 30 CGEDHN C[C@H](NCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000182942920 374347920 /nfs/dbraw/zinc/34/79/20/374347920.db2.gz GRVALGYTBVXALP-NSHDSACASA-N 0 3 291.420 3.117 20 30 CGEDHN CC[C@@](C)(CN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000453292591 374395799 /nfs/dbraw/zinc/39/57/99/374395799.db2.gz CQBCDLVQXRAEMK-NHYWBVRUSA-N 0 3 264.344 3.163 20 30 CGEDHN CC[C@@](C)(CN[C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000453308618 374407437 /nfs/dbraw/zinc/40/74/37/374407437.db2.gz WJOIEJDULXTGKJ-ABAIWWIYSA-N 0 3 264.344 3.163 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2cc(F)ccc21 ZINC000183397340 374410523 /nfs/dbraw/zinc/41/05/23/374410523.db2.gz IJRHDSBEKDQUQV-MRXNPFEDSA-N 0 3 263.356 3.385 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cccc(C)c1C ZINC000183717722 374447403 /nfs/dbraw/zinc/44/74/03/374447403.db2.gz MZTZYKPSFQYIMG-INIZCTEOSA-N 0 3 288.435 3.379 20 30 CGEDHN COc1ccccc1C1(CNCc2ccc(C#N)o2)CCC1 ZINC000185296786 374630253 /nfs/dbraw/zinc/63/02/53/374630253.db2.gz ZXHWGOKMGPYJTH-UHFFFAOYSA-N 0 3 296.370 3.371 20 30 CGEDHN C[C@@H](CC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457194811 374643680 /nfs/dbraw/zinc/64/36/80/374643680.db2.gz PPCJSSXJIJLWHX-BBRMVZONSA-N 0 3 297.402 3.181 20 30 CGEDHN C#CCC(C)(C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000185778002 374733404 /nfs/dbraw/zinc/73/34/04/374733404.db2.gz CAIIKLXDTIGUKA-UHFFFAOYSA-N 0 3 272.392 3.045 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000186691107 374900269 /nfs/dbraw/zinc/90/02/69/374900269.db2.gz DASDSULENDBOJP-JQWIXIFHSA-N 0 3 282.453 3.337 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H]1CC(C)C ZINC000466668911 374967725 /nfs/dbraw/zinc/96/77/25/374967725.db2.gz ZRTRAZMRQUCHMD-INIZCTEOSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CC[C@H](CO)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000186707966 374904215 /nfs/dbraw/zinc/90/42/15/374904215.db2.gz XMFCPKBOJOXURY-UMNHJUIQSA-N 0 3 269.435 3.200 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000186720289 374905202 /nfs/dbraw/zinc/90/52/02/374905202.db2.gz WGHFDNYBKFNRKC-GXSJLCMTSA-N 0 3 289.297 3.015 20 30 CGEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(C)C#N)cc1 ZINC000469579717 374990120 /nfs/dbraw/zinc/99/01/20/374990120.db2.gz AGLCCOZXFAZCAB-CWRNSKLLSA-N 0 3 270.376 3.249 20 30 CGEDHN C=C1CCN(C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470770018 374999094 /nfs/dbraw/zinc/99/90/94/374999094.db2.gz WLCLZICXVFTPSG-LJQANCHMSA-N 0 3 281.399 3.395 20 30 CGEDHN C=C(C)COCCNCc1cc2c(cc(C)cc2C)[nH]1 ZINC000479427671 375151281 /nfs/dbraw/zinc/15/12/81/375151281.db2.gz RPXNNAILBXSEFG-UHFFFAOYSA-N 0 3 272.392 3.467 20 30 CGEDHN CC(C)C[C@H](CO)N(C)CC#Cc1ccccc1Cl ZINC000481423339 375165544 /nfs/dbraw/zinc/16/55/44/375165544.db2.gz MUIUYCCPQMPNGH-OAHLLOKOSA-N 0 3 279.811 3.030 20 30 CGEDHN CC(C#N)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000488234920 375307175 /nfs/dbraw/zinc/30/71/75/375307175.db2.gz SDMVRSDBJYGURD-YJBOKZPZSA-N 0 3 292.382 3.289 20 30 CGEDHN Cc1ccc(CN2CCC(C#N)CC2)c(-c2ccnn2C)c1 ZINC000335411903 375270819 /nfs/dbraw/zinc/27/08/19/375270819.db2.gz YNIWVPVWDQJUEM-UHFFFAOYSA-N 0 3 294.402 3.131 20 30 CGEDHN Cc1nc(SCCN(C)Cc2ccccc2)ccc1C#N ZINC000487763004 375274559 /nfs/dbraw/zinc/27/45/59/375274559.db2.gz SBIFWXOHYJTLSM-UHFFFAOYSA-N 0 3 297.427 3.486 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2csc(Br)c2)C1 ZINC000335630636 375336981 /nfs/dbraw/zinc/33/69/81/375336981.db2.gz OLFREFKFDMWGHH-SCZZXKLOSA-N 0 3 285.210 3.292 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000493409106 375469950 /nfs/dbraw/zinc/46/99/50/375469950.db2.gz GBKWYIYKYDWJDF-HOTGVXAUSA-N 0 3 254.377 3.291 20 30 CGEDHN C=C(Cl)CN[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000494591225 375489435 /nfs/dbraw/zinc/48/94/35/375489435.db2.gz VKAUAYRFPLUFFM-WDEREUQCSA-N 0 3 276.808 3.020 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000335955898 375569470 /nfs/dbraw/zinc/56/94/70/375569470.db2.gz ZDOSUIAMADSBMO-JTQLQIEISA-N 0 3 256.321 3.287 20 30 CGEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1 ZINC000191433758 375627789 /nfs/dbraw/zinc/62/77/89/375627789.db2.gz XRIAQIJDYXEHIL-UKRRQHHQSA-N 0 3 277.437 3.003 20 30 CGEDHN Cc1csc(NC(=O)C(C)C(F)(F)F)c1C#N ZINC000335992227 375599446 /nfs/dbraw/zinc/59/94/46/375599446.db2.gz DDAUSUNOAXJRES-ZCFIWIBFSA-N 0 3 262.256 3.065 20 30 CGEDHN Cc1ccccc1OCCCN(C)Cc1cc(C#N)n(C)c1 ZINC000191262421 375602289 /nfs/dbraw/zinc/60/22/89/375602289.db2.gz UNRIKMYWDBFVDQ-UHFFFAOYSA-N 0 3 297.402 3.106 20 30 CGEDHN Cn1cc(CN2CCC[C@@H]2Cc2cccc(F)c2)cc1C#N ZINC000191260119 375602593 /nfs/dbraw/zinc/60/25/93/375602593.db2.gz XSCPVKMYQXAJJU-QGZVFWFLSA-N 0 3 297.377 3.243 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(F)c1)CC2 ZINC000336004711 375610973 /nfs/dbraw/zinc/61/09/73/375610973.db2.gz PZXLCOAKJBJRSP-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN C=CCN(CCOC)Cc1cccc(-c2cccnc2)c1 ZINC000191755888 375659951 /nfs/dbraw/zinc/65/99/51/375659951.db2.gz VSFDDZPZQVWDII-UHFFFAOYSA-N 0 3 282.387 3.383 20 30 CGEDHN C=CCCOCCN[C@H]1CCSc2ccc(OC)cc21 ZINC000191538351 375638947 /nfs/dbraw/zinc/63/89/47/375638947.db2.gz RDHMQFDBNOOFCA-HNNXBMFYSA-N 0 3 293.432 3.414 20 30 CGEDHN C#CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000191997495 375688816 /nfs/dbraw/zinc/68/88/16/375688816.db2.gz YBXMTZMVOJEUED-SFHVURJKSA-N 0 3 298.430 3.052 20 30 CGEDHN C=C(C)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192039400 375691559 /nfs/dbraw/zinc/69/15/59/375691559.db2.gz ZTUZGIQRANAUIY-ZIAGYGMSSA-N 0 3 251.757 3.336 20 30 CGEDHN C=C(C)CCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000508976500 375766996 /nfs/dbraw/zinc/76/69/96/375766996.db2.gz HAXPFBWYJGZNAO-QGZVFWFLSA-N 0 3 257.377 3.127 20 30 CGEDHN Cc1cc(CN2CCC(C#N)CC2)cc2cccnc12 ZINC000336390115 375785863 /nfs/dbraw/zinc/78/58/63/375785863.db2.gz XFADCLCQMFQWSE-UHFFFAOYSA-N 0 3 265.360 3.279 20 30 CGEDHN C=CCCCCCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511627376 375791423 /nfs/dbraw/zinc/79/14/23/375791423.db2.gz NDTSNRFTALUBGG-OLZOCXBDSA-N 0 3 279.346 3.226 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@H]1CCCCO1 ZINC000519505601 375840534 /nfs/dbraw/zinc/84/05/34/375840534.db2.gz HTNMLRMFGRAMAY-QGZVFWFLSA-N 0 3 259.393 3.286 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@](CO)(CCC)C1 ZINC000519478869 375840547 /nfs/dbraw/zinc/84/05/47/375840547.db2.gz ZCNTZJWJUKEUEE-SFHVURJKSA-N 0 3 289.419 3.236 20 30 CGEDHN C=CCCCCCN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000193449459 375879702 /nfs/dbraw/zinc/87/97/02/375879702.db2.gz AQZYJSHEZNCELL-ARFHVFGLSA-N 0 3 267.413 3.001 20 30 CGEDHN C=C(CC)CN[C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000538015605 376219204 /nfs/dbraw/zinc/21/92/04/376219204.db2.gz ONBUKQKEOKUYQY-HIFRSBDPSA-N 0 3 261.365 3.093 20 30 CGEDHN C=CCCc1ccccc1NC(=O)NC1CCN(C)CC1 ZINC000337610683 376232707 /nfs/dbraw/zinc/23/27/07/376232707.db2.gz UUHHFLKBQYSPGB-UHFFFAOYSA-N 0 3 287.407 3.021 20 30 CGEDHN COC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000538508463 376246236 /nfs/dbraw/zinc/24/62/36/376246236.db2.gz NJASUOBAYSFRTR-IAQYHMDHSA-N 0 3 264.344 3.019 20 30 CGEDHN COC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000538508465 376246459 /nfs/dbraw/zinc/24/64/59/376246459.db2.gz NJASUOBAYSFRTR-XHDPSFHLSA-N 0 3 264.344 3.019 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000539388890 376306863 /nfs/dbraw/zinc/30/68/63/376306863.db2.gz YSTHSSNXEWDJMB-PMPSAXMXSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CCCC[C@@H](C)N(C)CC(=O)NCc1cccs1 ZINC000539250179 376301805 /nfs/dbraw/zinc/30/18/05/376301805.db2.gz FPDYKPZDYUBLND-CYBMUJFWSA-N 0 3 280.437 3.041 20 30 CGEDHN N#CCC1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000540994674 376411982 /nfs/dbraw/zinc/41/19/82/376411982.db2.gz FNIGJRSASBFSBM-UHFFFAOYSA-N 0 3 294.345 3.456 20 30 CGEDHN C=C(CC)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000540197898 376366023 /nfs/dbraw/zinc/36/60/23/376366023.db2.gz QLQGMUDOYWTNCR-CQSZACIVSA-N 0 3 298.224 3.381 20 30 CGEDHN CC1(C)CCN(Cc2ccc(C#N)cc2)CCS1 ZINC000228087919 376427185 /nfs/dbraw/zinc/42/71/85/376427185.db2.gz KCBMJIVHKYUSSR-UHFFFAOYSA-N 0 3 260.406 3.276 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nccs3)C2)C1 ZINC000338947320 376595191 /nfs/dbraw/zinc/59/51/91/376595191.db2.gz DZFICXANRWSXNJ-JHJVBQTASA-N 0 3 261.394 3.015 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1CCCC1)c1ccc(C#N)cc1 ZINC000232129240 376577366 /nfs/dbraw/zinc/57/73/66/376577366.db2.gz UTUKIWGSMKWMMW-CXAGYDPISA-N 0 3 272.392 3.150 20 30 CGEDHN CCc1ccc([C@@H](CNc2cnccc2C#N)N(C)C)cc1 ZINC000339045407 376642251 /nfs/dbraw/zinc/64/22/51/376642251.db2.gz OSMWDVWIBKXOBD-GOSISDBHSA-N 0 3 294.402 3.230 20 30 CGEDHN C=C(C)CN(CC)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000543449624 376644218 /nfs/dbraw/zinc/64/42/18/376644218.db2.gz OMNHDAZLHKQTSU-CQSZACIVSA-N 0 3 297.826 3.286 20 30 CGEDHN CCOc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000543778835 376677872 /nfs/dbraw/zinc/67/78/72/376677872.db2.gz VXKGUXXCUKPGMW-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN N#CC(C(=O)c1cccc(C2CCC2)c1)c1ccncn1 ZINC000545265696 376804845 /nfs/dbraw/zinc/80/48/45/376804845.db2.gz DRYFPZRWLRJESO-OAHLLOKOSA-N 0 3 277.327 3.234 20 30 CGEDHN C=CCC[C@H](NCCN1CC[C@@H](C)C1)c1ccco1 ZINC000556874038 376894599 /nfs/dbraw/zinc/89/45/99/376894599.db2.gz ZOQRGLJFJAQHGR-CABCVRRESA-N 0 3 262.397 3.218 20 30 CGEDHN C=CCc1cc(CN2CC[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000246475081 377037481 /nfs/dbraw/zinc/03/74/81/377037481.db2.gz OQHPTTHSTXVPLB-OLZOCXBDSA-N 0 3 275.392 3.360 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C#N)cc1 ZINC000340448129 377065474 /nfs/dbraw/zinc/06/54/74/377065474.db2.gz GICLMFICXJTPEF-NEPJUHHUSA-N 0 3 267.332 3.071 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000561886777 377250357 /nfs/dbraw/zinc/25/03/57/377250357.db2.gz MIDXTODUTUXLAV-HOTGVXAUSA-N 0 3 279.811 3.284 20 30 CGEDHN CCC[C@H](C)N(C)Cc1cn2ccccc2c1C#N ZINC000340880983 377300402 /nfs/dbraw/zinc/30/04/02/377300402.db2.gz CRFDSJBCDPVUTM-ZDUSSCGKSA-N 0 3 255.365 3.431 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H](C)C1 ZINC000248566667 377350712 /nfs/dbraw/zinc/35/07/12/377350712.db2.gz OYZDWDZGPDDNKG-ZIAGYGMSSA-N 0 3 285.391 3.007 20 30 CGEDHN CC[C@@H](C)CN(C)Cc1cn2ccccc2c1C#N ZINC000341005496 377353795 /nfs/dbraw/zinc/35/37/95/377353795.db2.gz FPRAJAYGPKEEDU-CYBMUJFWSA-N 0 3 255.365 3.289 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H](CO)c1ccccc1OC ZINC000563859865 377473824 /nfs/dbraw/zinc/47/38/24/377473824.db2.gz OAKOTCCIMIOIEC-GOEBONIOSA-N 0 3 277.408 3.453 20 30 CGEDHN C=CC[C@H](CO)CNCc1csc(-c2ccccc2)n1 ZINC000341270413 377480293 /nfs/dbraw/zinc/48/02/93/377480293.db2.gz LVGNSJOEZCXUAU-ZDUSSCGKSA-N 0 3 288.416 3.084 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cccc(Cl)c1Cl ZINC000341297908 377496497 /nfs/dbraw/zinc/49/64/97/377496497.db2.gz KGHUBLOWMHTNCS-SNVBAGLBSA-N 0 3 274.191 3.268 20 30 CGEDHN COc1ccc(OC2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000568602375 377520107 /nfs/dbraw/zinc/52/01/07/377520107.db2.gz HOOYNFNXTHFTJH-AWEZNQCLSA-N 0 3 288.391 3.231 20 30 CGEDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)C(C)C#N ZINC000341381157 377538715 /nfs/dbraw/zinc/53/87/15/377538715.db2.gz SEHVUZBTUZQHGV-NFAWXSAZSA-N 0 3 286.375 3.154 20 30 CGEDHN C=CCCCCN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000571988685 377544426 /nfs/dbraw/zinc/54/44/26/377544426.db2.gz WMYKASPHFSYDFM-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN C[C@H]1CCCN(CCOc2ccccc2C#N)[C@H]1C ZINC000251606309 377590670 /nfs/dbraw/zinc/59/06/70/377590670.db2.gz BXHCIWOZUYOSGC-KBPBESRZSA-N 0 3 258.365 3.057 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1c[nH]nc1C)C(C)C ZINC000180091461 542205689 /nfs/dbraw/zinc/20/56/89/542205689.db2.gz HDJKXIVPIJOPPX-RHSMWYFYSA-N 0 3 290.455 3.067 20 30 CGEDHN COc1ncc([C@H](C)NCC2(CC#N)CC2)cc1Cl ZINC000342624476 377694559 /nfs/dbraw/zinc/69/45/59/377694559.db2.gz ZXFKSJNJPCNBII-JTQLQIEISA-N 0 3 279.771 3.088 20 30 CGEDHN C=CCCN(C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000342722564 377756616 /nfs/dbraw/zinc/75/66/16/377756616.db2.gz NVRJUHDHBSYYJV-UHFFFAOYSA-N 0 3 267.756 3.119 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000342730282 377759805 /nfs/dbraw/zinc/75/98/05/377759805.db2.gz JIBRFAQJBGIALT-OAHLLOKOSA-N 0 3 274.408 3.447 20 30 CGEDHN Cc1ccoc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000266209885 378015782 /nfs/dbraw/zinc/01/57/82/378015782.db2.gz OBILJAXVZDRECF-UHFFFAOYSA-N 0 3 295.386 3.218 20 30 CGEDHN CCC[C@@H]1CN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000343402541 377971214 /nfs/dbraw/zinc/97/12/14/377971214.db2.gz LXBYLIDFMQHBRY-GOSISDBHSA-N 0 3 297.446 3.277 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](C)[C@@H](OC)C1 ZINC000343468170 377988457 /nfs/dbraw/zinc/98/84/57/377988457.db2.gz LKJBMUINQVLYIG-PBHICJAKSA-N 0 3 275.392 3.108 20 30 CGEDHN C=CCC[C@H](O)CN(CCOC)[C@@H](C)c1ccccc1 ZINC000268532190 378071507 /nfs/dbraw/zinc/07/15/07/378071507.db2.gz IVCUJUCAQOSDJT-RDJZCZTQSA-N 0 3 277.408 3.023 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2ccc(OCC#N)cc2)CCS1 ZINC000266534314 378023093 /nfs/dbraw/zinc/02/30/93/378023093.db2.gz GZDQHLUHENLFCM-INIZCTEOSA-N 0 3 290.432 3.162 20 30 CGEDHN C=CCC[C@H](O)CN1CC(C)(C)[C@H]1c1cccs1 ZINC000578901604 378112321 /nfs/dbraw/zinc/11/23/21/378112321.db2.gz VUEHXZMQIINFFI-GXTWGEPZSA-N 0 3 265.422 3.458 20 30 CGEDHN CC1(C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000578993174 378121191 /nfs/dbraw/zinc/12/11/91/378121191.db2.gz SIGAUQZTNCMPSD-HUUCEWRRSA-N 0 3 299.374 3.477 20 30 CGEDHN C[C@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579114889 378131011 /nfs/dbraw/zinc/13/10/11/378131011.db2.gz GZBCOQOPCGKFMV-SWLSCSKDSA-N 0 3 287.363 3.477 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000268680567 378089469 /nfs/dbraw/zinc/08/94/69/378089469.db2.gz WYVYAIKNDOEBJS-AAEUAGOBSA-N 0 3 269.335 3.285 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CO)c2ccccc2)cc1 ZINC000268998895 378170303 /nfs/dbraw/zinc/17/03/03/378170303.db2.gz IQGGKHOUOFIHFZ-BEFAXECRSA-N 0 3 295.382 3.083 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cncc(Br)c1 ZINC000583945756 378360910 /nfs/dbraw/zinc/36/09/10/378360910.db2.gz FPKCXZGVAYYEGC-OUJBWJOFSA-N 0 3 294.196 3.187 20 30 CGEDHN CC(C#N)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000345781539 378368182 /nfs/dbraw/zinc/36/81/82/378368182.db2.gz ALFDAGIWWHWPOP-LLVKDONJSA-N 0 3 292.329 3.396 20 30 CGEDHN N#CCCCCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000584091772 378375410 /nfs/dbraw/zinc/37/54/10/378375410.db2.gz SBGGAMIMIDZISM-UHFFFAOYSA-N 0 3 293.798 3.272 20 30 CGEDHN C#CCCCN(C)Cc1cc(OC)c(OC)cc1SC ZINC000270987105 378423171 /nfs/dbraw/zinc/42/31/71/378423171.db2.gz DIHVHJPGVAFKJY-UHFFFAOYSA-N 0 3 293.432 3.271 20 30 CGEDHN C=CC(C)(C)CCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000637319383 378482670 /nfs/dbraw/zinc/48/26/70/378482670.db2.gz BXOZYJQSFGHOPK-UHFFFAOYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CCN(CCc1csc(C)n1)CCc1ccco1 ZINC000272346143 378616944 /nfs/dbraw/zinc/61/69/44/378616944.db2.gz ZNWYGKACCISHSL-UHFFFAOYSA-N 0 3 276.405 3.318 20 30 CGEDHN C=CC(C)(C)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000638454348 378810242 /nfs/dbraw/zinc/81/02/42/378810242.db2.gz GTKQIIAUDHKBIR-OAHLLOKOSA-N 0 3 288.435 3.431 20 30 CGEDHN C=CCC[C@@H](NCCc1cccc(C(N)=O)c1)c1ccco1 ZINC000278476508 194001733 /nfs/dbraw/zinc/00/17/33/194001733.db2.gz ABNIEBNICROEKV-MRXNPFEDSA-N 0 3 298.386 3.218 20 30 CGEDHN C=C(C)[C@H](NCCC1OCCCO1)c1ccc(F)c(F)c1 ZINC000274843251 378906160 /nfs/dbraw/zinc/90/61/60/378906160.db2.gz DLXXBVPNVXHAFK-INIZCTEOSA-N 0 3 297.345 3.325 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](F)C1)c1ccc(C#N)cc1F ZINC000348389670 378937632 /nfs/dbraw/zinc/93/76/32/378937632.db2.gz GXUREEUPFNISSO-DLOVCJGASA-N 0 3 250.292 3.239 20 30 CGEDHN Cn1cc(CN2CC[C@@H](c3cccc(F)c3)C2)cc1C#N ZINC000276787901 378998400 /nfs/dbraw/zinc/99/84/00/378998400.db2.gz RZDXYVCFBIRAPM-OAHLLOKOSA-N 0 3 283.350 3.025 20 30 CGEDHN C=C(C)CN(CCC[C@@H]1CCO1)Cc1cnn(C(C)C)c1 ZINC000639161383 379079942 /nfs/dbraw/zinc/07/99/42/379079942.db2.gz CXKAKCRTOZFJBV-QGZVFWFLSA-N 0 3 291.439 3.411 20 30 CGEDHN COc1cc(CN2CCCC23CCC3)ccc1C#N ZINC000373022430 379209403 /nfs/dbraw/zinc/20/94/03/379209403.db2.gz IDZJEBSXQKVCGH-UHFFFAOYSA-N 0 3 256.349 3.085 20 30 CGEDHN C=CCC1(NCc2nc3ccccc3o2)CCOCC1 ZINC000639313919 379266099 /nfs/dbraw/zinc/26/60/99/379266099.db2.gz BFNOLTODFKXCNI-UHFFFAOYSA-N 0 3 272.348 3.043 20 30 CGEDHN CCN(Cc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1)C1CC1 ZINC000349434936 379282726 /nfs/dbraw/zinc/28/27/26/379282726.db2.gz VHOMXGLJSNJOFJ-CQSZACIVSA-N 0 3 299.418 3.045 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OC(F)F)cc2)C1 ZINC000349792973 379387262 /nfs/dbraw/zinc/38/72/62/379387262.db2.gz UQEKRYOCSCTAAA-NEPJUHHUSA-N 0 3 266.291 3.070 20 30 CGEDHN CCCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000349797429 379387997 /nfs/dbraw/zinc/38/79/97/379387997.db2.gz CBAQTVCZIHSZDA-ZFWWWQNUSA-N 0 3 288.391 3.266 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccccc2OC(F)F)C1 ZINC000349821276 379402009 /nfs/dbraw/zinc/40/20/09/379402009.db2.gz JTLGPKKNLBZBGZ-JQWIXIFHSA-N 0 3 266.291 3.070 20 30 CGEDHN C=CCCN(C)Cc1ccnn1-c1ccc(F)cc1 ZINC000280590147 379741932 /nfs/dbraw/zinc/74/19/32/379741932.db2.gz NCYPCGXUHGHHGS-UHFFFAOYSA-N 0 3 259.328 3.019 20 30 CGEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCCC2)cn1 ZINC000267387493 190326142 /nfs/dbraw/zinc/32/61/42/190326142.db2.gz MSZLDTOASLKPTJ-MRXNPFEDSA-N 0 3 296.374 3.185 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)C1 ZINC000640299027 379768732 /nfs/dbraw/zinc/76/87/32/379768732.db2.gz JPDJQPZAFHCNTG-ZIAGYGMSSA-N 0 3 290.407 3.181 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)c1ccc(OC)cc1 ZINC000352420344 379808242 /nfs/dbraw/zinc/80/82/42/379808242.db2.gz BRYSDZFIUAPXIV-HNNXBMFYSA-N 0 3 273.376 3.309 20 30 CGEDHN C=CC[C@H](CC)N[C@H](C)c1cc(C(=O)OC)co1 ZINC000281775418 379845959 /nfs/dbraw/zinc/84/59/59/379845959.db2.gz WZZFZMDKJSOUNR-PWSUYJOCSA-N 0 3 251.326 3.072 20 30 CGEDHN C[C@H](CNCc1nc(C#N)cs1)Cc1cccs1 ZINC000352822346 379983639 /nfs/dbraw/zinc/98/36/39/379983639.db2.gz JYLWIRJJOLKSTA-JTQLQIEISA-N 0 3 277.418 3.045 20 30 CGEDHN CC[C@@]1(C)CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000399281329 379936835 /nfs/dbraw/zinc/93/68/35/379936835.db2.gz ASLJQXCUXLAMCF-INIZCTEOSA-N 0 3 258.365 3.189 20 30 CGEDHN CC[C@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000352856402 380007643 /nfs/dbraw/zinc/00/76/43/380007643.db2.gz WLWNPQAVPHVYJH-CYBMUJFWSA-N 0 3 271.389 3.126 20 30 CGEDHN CCCN(CCN1CCCC1)Cc1cc(C#N)ccc1F ZINC000352896987 380023749 /nfs/dbraw/zinc/02/37/49/380023749.db2.gz LLRSACGVEBNNCE-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN C=CCC[C@H](CO)NCc1cc(C)ccc1OC(F)F ZINC000641760297 380082107 /nfs/dbraw/zinc/08/21/07/380082107.db2.gz OTJCHOHONYLRMR-CYBMUJFWSA-N 0 3 285.334 3.013 20 30 CGEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)CCS1 ZINC000411237876 380136853 /nfs/dbraw/zinc/13/68/53/380136853.db2.gz NYMNDSJLMVNABJ-CYBMUJFWSA-N 0 3 252.427 3.288 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000411313472 380138432 /nfs/dbraw/zinc/13/84/32/380138432.db2.gz XTPNYALVIGKUQV-SJLPKXTDSA-N 0 3 286.419 3.402 20 30 CGEDHN CCCN(CC(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411205083 380133999 /nfs/dbraw/zinc/13/39/99/380133999.db2.gz ZIBAPEGMZYUTGL-KRWDZBQOSA-N 0 3 299.418 3.032 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(-n2cccn2)cc1 ZINC000414160611 380195305 /nfs/dbraw/zinc/19/53/05/380195305.db2.gz DEXBKFUGCXSSQH-CQSZACIVSA-N 0 3 282.391 3.463 20 30 CGEDHN COCc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353424184 380206737 /nfs/dbraw/zinc/20/67/37/380206737.db2.gz GKXZGWDRSNWXIH-IBGZPJMESA-N 0 3 292.382 3.482 20 30 CGEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2cccc(C#N)c2)C1(C)C ZINC000353936142 380244131 /nfs/dbraw/zinc/24/41/31/380244131.db2.gz YKBOPZSDWBOOHA-WBVHZDCISA-N 0 3 272.392 3.194 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cnccn1 ZINC000414295537 380208352 /nfs/dbraw/zinc/20/83/52/380208352.db2.gz FKZZOGZJNLHDHH-ZBFHGGJFSA-N 0 3 267.376 3.315 20 30 CGEDHN C=CCOc1ccc(CN2CC(C3CC3)C2)cc1OC ZINC000643345412 380285640 /nfs/dbraw/zinc/28/56/40/380285640.db2.gz WBMHDFONKNNBIG-UHFFFAOYSA-N 0 3 273.376 3.102 20 30 CGEDHN C=CCOCCN[C@H](c1cccnc1)C1CCCCC1 ZINC000645090649 380576228 /nfs/dbraw/zinc/57/62/28/380576228.db2.gz WFUFNHBLHGNSLS-KRWDZBQOSA-N 0 3 274.408 3.495 20 30 CGEDHN Cc1ncccc1OC[C@@H]1CCCN1CCC(C)(C)C#N ZINC000419394169 380828050 /nfs/dbraw/zinc/82/80/50/380828050.db2.gz RRLJIJJABYVXBB-HNNXBMFYSA-N 0 3 287.407 3.173 20 30 CGEDHN N#Cc1ccc(CNCCSCC(F)(F)F)cc1F ZINC000421341807 380883961 /nfs/dbraw/zinc/88/39/61/380883961.db2.gz MCZXOGORCAWHCK-UHFFFAOYSA-N 0 3 292.301 3.082 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](CCO)CC1 ZINC000421404904 380954014 /nfs/dbraw/zinc/95/40/14/380954014.db2.gz ZMOGZZDVKMZPGJ-INIZCTEOSA-N 0 3 289.419 3.236 20 30 CGEDHN C[C@@H]1CCC[C@H](C)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000357739560 381271372 /nfs/dbraw/zinc/27/13/72/381271372.db2.gz HVMSYFSYTNHUKF-UONOGXRCSA-N 0 3 285.391 3.007 20 30 CGEDHN CC(C#N)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000357788543 381283748 /nfs/dbraw/zinc/28/37/48/381283748.db2.gz CHIICGJIGOIFMO-OAHLLOKOSA-N 0 3 292.382 3.484 20 30 CGEDHN N#CCC1(CNCc2csc(Br)c2)CC1 ZINC000336745495 262011352 /nfs/dbraw/zinc/01/13/52/262011352.db2.gz BEBRAHQDGWMSRA-UHFFFAOYSA-N 0 3 285.210 3.294 20 30 CGEDHN CCN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCOC1 ZINC000361595751 381827313 /nfs/dbraw/zinc/82/73/13/381827313.db2.gz OXALKZXIEITWHJ-HNNXBMFYSA-N 0 3 272.392 3.099 20 30 CGEDHN COCCN(Cc1ccc(C#N)c(F)c1)[C@@H]1CC[C@@H](C)C1 ZINC000362152502 381890296 /nfs/dbraw/zinc/89/02/96/381890296.db2.gz CDSWIASQHANWGV-CZUORRHYSA-N 0 3 290.382 3.334 20 30 CGEDHN CCCCCCCC(=O)N1CCCC12CCN(C)CC2 ZINC000367359527 382344828 /nfs/dbraw/zinc/34/48/28/382344828.db2.gz YUSAXJOEZFCIHH-UHFFFAOYSA-N 0 3 280.456 3.434 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000347056338 533116279 /nfs/dbraw/zinc/11/62/79/533116279.db2.gz BKORHKQMYTVLLP-IUCAKERBSA-N 0 3 270.254 3.042 20 30 CGEDHN COCCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000355063819 533177120 /nfs/dbraw/zinc/17/71/20/533177120.db2.gz REEKMCUFLJHYDC-GFCCVEGCSA-N 0 3 278.371 3.411 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000301763095 542413621 /nfs/dbraw/zinc/41/36/21/542413621.db2.gz UINAFEWDBPNKKQ-SNVBAGLBSA-N 0 3 257.736 3.332 20 30 CGEDHN COC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000356111353 285238962 /nfs/dbraw/zinc/23/89/62/285238962.db2.gz UAWFXNQVVHAMQB-CQSZACIVSA-N 0 3 298.308 3.092 20 30 CGEDHN N#Cc1ccnc(S[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000283113775 195795265 /nfs/dbraw/zinc/79/52/65/195795265.db2.gz SCCAJYRCRNNDOK-MRXNPFEDSA-N 0 3 295.411 3.320 20 30 CGEDHN C#CCOc1ccccc1CNCCc1ccccc1 ZINC000022153961 391944088 /nfs/dbraw/zinc/94/40/88/391944088.db2.gz HCHLVEKOHOQBRP-UHFFFAOYSA-N 0 3 265.356 3.031 20 30 CGEDHN CN(Cc1ccc([S@](C)=O)cc1)CC(C)(C)CCC#N ZINC000093713368 392239238 /nfs/dbraw/zinc/23/92/38/392239238.db2.gz ZDZZQMYLCBYASJ-HXUWFJFHSA-N 0 3 292.448 3.186 20 30 CGEDHN C=CCN(CCCSC)Cc1cccc(C#N)c1 ZINC000075674279 392216102 /nfs/dbraw/zinc/21/61/02/392216102.db2.gz UJUJVXHYBVIPLE-UHFFFAOYSA-N 0 3 260.406 3.299 20 30 CGEDHN C=C(C)[C@H](NCCc1ccnn1C)c1ccc(F)c(F)c1 ZINC000283056631 392299118 /nfs/dbraw/zinc/29/91/18/392299118.db2.gz JROMUEGPJVQTLU-INIZCTEOSA-N 0 3 291.345 3.148 20 30 CGEDHN C=CCC[C@H](NCCCOC[C@@H]1CCCO1)c1ccco1 ZINC000285614041 392327775 /nfs/dbraw/zinc/32/77/75/392327775.db2.gz KKCFETDPRUZNMK-HOTGVXAUSA-N 0 3 293.407 3.462 20 30 CGEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H](CCO)c1ccccc1 ZINC000361834505 392336891 /nfs/dbraw/zinc/33/68/91/392336891.db2.gz UIDGVMJTAPOSMB-GOSISDBHSA-N 0 3 298.361 3.253 20 30 CGEDHN CC(C)O[C@H]1C[C@H](NCc2cc(C#N)cs2)C1(C)C ZINC000361899136 392357718 /nfs/dbraw/zinc/35/77/18/392357718.db2.gz INWLEULLQJDMOI-KBPBESRZSA-N 0 3 278.421 3.301 20 30 CGEDHN C=CCC[C@H](NCCCOC1CCOCC1)c1ccco1 ZINC000286329730 392381473 /nfs/dbraw/zinc/38/14/73/392381473.db2.gz YJJOYEDRIWKYIC-INIZCTEOSA-N 0 3 293.407 3.462 20 30 CGEDHN CN(C)CCOc1ccc(NCC(C)(C)CCC#N)cc1 ZINC000135189058 392474144 /nfs/dbraw/zinc/47/41/44/392474144.db2.gz PGKSYVSFJHPTKQ-UHFFFAOYSA-N 0 3 289.423 3.369 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000291784209 392481644 /nfs/dbraw/zinc/48/16/44/392481644.db2.gz VIKLAKPJBSUBMS-SJKOYZFVSA-N 0 3 298.411 3.412 20 30 CGEDHN N#CC1(NC(=O)CN2CCC[C@H]2C2CCCCC2)CCC1 ZINC000329516164 392685664 /nfs/dbraw/zinc/68/56/64/392685664.db2.gz YTHUMGDHIJWERH-HNNXBMFYSA-N 0 3 289.423 3.434 20 30 CGEDHN CC[C@@](C)(NCCCCC#N)c1nc(C)cs1 ZINC000173938824 392631911 /nfs/dbraw/zinc/63/19/11/392631911.db2.gz SOMGNEVUNWKXGW-CYBMUJFWSA-N 0 3 251.399 3.360 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)s1 ZINC000185194121 392769157 /nfs/dbraw/zinc/76/91/57/392769157.db2.gz PUWLRXBYQOMSRQ-CABCVRRESA-N 0 3 278.421 3.303 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000332031352 392697169 /nfs/dbraw/zinc/69/71/69/392697169.db2.gz SBEDCGHEIQITTL-JHJVBQTASA-N 0 3 250.386 3.257 20 30 CGEDHN CC(C#N)C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000334212111 392711995 /nfs/dbraw/zinc/71/19/95/392711995.db2.gz HUYPZYBARAUBIP-NHYWBVRUSA-N 0 3 292.329 3.235 20 30 CGEDHN C[C@H]1[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCCN1C ZINC000513023624 392851413 /nfs/dbraw/zinc/85/14/13/392851413.db2.gz KIXOFCQECGCKQQ-GXFFZTMASA-N 0 3 297.324 3.472 20 30 CGEDHN CCN(CCOCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000338924321 392936120 /nfs/dbraw/zinc/93/61/20/392936120.db2.gz HGKHNJPVGQPJJF-ZDUSSCGKSA-N 0 3 264.344 3.139 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](Oc3ccccc3)C2)C1 ZINC000338997595 392939171 /nfs/dbraw/zinc/93/91/71/392939171.db2.gz PJQXOBFQGCZPJT-HLLBOEOZSA-N 0 3 270.376 3.222 20 30 CGEDHN CN(CCCNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000404045819 392963198 /nfs/dbraw/zinc/96/31/98/392963198.db2.gz IUAZMIGKBXJUNC-UHFFFAOYSA-N 0 3 297.377 3.313 20 30 CGEDHN CO[C@](C)([C@H](C)NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000411978024 392993269 /nfs/dbraw/zinc/99/32/69/392993269.db2.gz YNHAXYWOZRJMGC-SUMWQHHRSA-N 0 3 291.822 3.485 20 30 CGEDHN C=CCCCCCN(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000346339242 393083460 /nfs/dbraw/zinc/08/34/60/393083460.db2.gz PGNNNKAXTVGXRK-GJZGRUSLSA-N 0 3 266.429 3.064 20 30 CGEDHN N#Cc1ccc(CNC2CC(OCc3ccccc3)C2)cc1 ZINC000546624784 393060340 /nfs/dbraw/zinc/06/03/40/393060340.db2.gz IFGJOWLLWPGKBA-UHFFFAOYSA-N 0 3 292.382 3.396 20 30 CGEDHN C#CCCNC1(c2ccc(Br)cc2)CC1 ZINC000271629225 393253464 /nfs/dbraw/zinc/25/34/64/393253464.db2.gz DBQXEMBARHRUGM-UHFFFAOYSA-N 0 3 264.166 3.051 20 30 CGEDHN COc1cc(CN[C@@H]2CS[C@@H](C(C)C)C2)ccc1C#N ZINC000356374122 393431309 /nfs/dbraw/zinc/43/13/09/393431309.db2.gz WUPUDYRDUAZLBB-GOEBONIOSA-N 0 3 290.432 3.187 20 30 CGEDHN Cc1cc(CN2CCS[C@@H](C)[C@H]2C)ccc1C#N ZINC000488413375 393503391 /nfs/dbraw/zinc/50/33/91/393503391.db2.gz ZIYWSIODTQKDRO-OLZOCXBDSA-N 0 3 260.406 3.193 20 30 CGEDHN Cc1cc(CN2CCC[C@@]3(CCCOC3)C2)ccc1C#N ZINC000488438250 393513400 /nfs/dbraw/zinc/51/34/00/393513400.db2.gz XIOQWSNUCYBVHN-GOSISDBHSA-N 0 3 284.403 3.259 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1CCO[C@H](C)C1 ZINC000420899184 393538246 /nfs/dbraw/zinc/53/82/46/393538246.db2.gz FFCWGRQVRXSFKW-RHSMWYFYSA-N 0 3 270.376 3.114 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1)CC1(C)CCC1 ZINC000432923566 393661794 /nfs/dbraw/zinc/66/17/94/393661794.db2.gz GTDUMCGIAABYPI-UHFFFAOYSA-N 0 3 272.392 3.197 20 30 CGEDHN Cc1cc(CNC[C@H](c2ccsc2)N(C)C)ccc1C#N ZINC000443990534 393780567 /nfs/dbraw/zinc/78/05/67/393780567.db2.gz SWRPHBLFUBZPHZ-QGZVFWFLSA-N 0 3 299.443 3.321 20 30 CGEDHN COC[C@@H](Cc1ccccc1)NCc1ccc(C#N)c(C)c1 ZINC000444000365 393782183 /nfs/dbraw/zinc/78/21/83/393782183.db2.gz WBWKDTVGGCPXNX-LJQANCHMSA-N 0 3 294.398 3.214 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)c(C)c1)c1ccc(F)cc1 ZINC000444001893 393782235 /nfs/dbraw/zinc/78/22/35/393782235.db2.gz LVMAVVZQGZKQRI-GOSISDBHSA-N 0 3 298.361 3.483 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)c(C)c1)C(C)(C)C ZINC000444004253 393783181 /nfs/dbraw/zinc/78/31/81/393783181.db2.gz QFZGLYYAOWOSPW-HNNXBMFYSA-N 0 3 260.381 3.017 20 30 CGEDHN C=C(C)CN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300560 394043911 /nfs/dbraw/zinc/04/39/11/394043911.db2.gz ATSYOGSYJVVGHV-CYBMUJFWSA-N 0 3 273.298 3.295 20 30 CGEDHN CC(C)[C@H](NCc1ccccc1C#N)C1(CO)CCCC1 ZINC000453608098 394257458 /nfs/dbraw/zinc/25/74/58/394257458.db2.gz DKQKREYIICJJJH-KRWDZBQOSA-N 0 3 286.419 3.225 20 30 CGEDHN C[C@H](NCCC[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000453392925 394229740 /nfs/dbraw/zinc/22/97/40/394229740.db2.gz ZAOGIBQYPHECSP-QWHCGFSZSA-N 0 3 276.355 3.165 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000453396203 394231513 /nfs/dbraw/zinc/23/15/13/394231513.db2.gz HIJUMMCEHYCWAF-IUIKQTSFSA-N 0 3 276.355 3.306 20 30 CGEDHN C=CC1CCN(Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000667623727 542899710 /nfs/dbraw/zinc/89/97/10/542899710.db2.gz CDBVZJUXERNPJG-OAHLLOKOSA-N 0 3 289.419 3.498 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668078585 542966472 /nfs/dbraw/zinc/96/64/72/542966472.db2.gz PIWKGTNGZMNPDY-FUHWJXTLSA-N 0 3 287.403 3.395 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnc(CC)s2)C1 ZINC000668494113 543020449 /nfs/dbraw/zinc/02/04/49/543020449.db2.gz WDKGJSNIRNKTBE-GFCCVEGCSA-N 0 3 250.411 3.494 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000668492461 543020595 /nfs/dbraw/zinc/02/05/95/543020595.db2.gz BLYCJAYGXAFSDQ-CYBMUJFWSA-N 0 3 255.365 3.351 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000668493537 543020807 /nfs/dbraw/zinc/02/08/07/543020807.db2.gz OTRZPIVODLXCRC-HNNXBMFYSA-N 0 3 282.391 3.055 20 30 CGEDHN C=CCOCCCNCc1nc(C(C)C)n2ccccc12 ZINC000668581886 543030527 /nfs/dbraw/zinc/03/05/27/543030527.db2.gz NDDXIIAQMWECFF-UHFFFAOYSA-N 0 3 287.407 3.140 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](CO)c1ccc(F)cc1F ZINC000668745922 543054765 /nfs/dbraw/zinc/05/47/65/543054765.db2.gz IFLOUVDOBIYCKN-PGUXBMHVSA-N 0 3 269.335 3.189 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000671699630 543177914 /nfs/dbraw/zinc/17/79/14/543177914.db2.gz KTMXPCNXAGYURO-IAGOWNOFSA-N 0 3 295.373 3.485 20 30 CGEDHN CCN(Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735308551 572714649 /nfs/dbraw/zinc/71/46/49/572714649.db2.gz IWWBHFFUFLMIQJ-UHFFFAOYSA-N 0 3 264.756 3.227 20 30 CGEDHN C=CCOc1ccccc1C(=O)C(C#N)c1ccccn1 ZINC000041481430 397611648 /nfs/dbraw/zinc/61/16/48/397611648.db2.gz CFQNBDFLUHZQMX-CQSZACIVSA-N 0 3 278.311 3.136 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000650256603 397809590 /nfs/dbraw/zinc/80/95/90/397809590.db2.gz IKKARJMYUXSPKC-QGZVFWFLSA-N 0 3 295.373 3.156 20 30 CGEDHN C=C(C)CN(CCC)C[C@@H]1COc2ccccc2O1 ZINC000675592724 543348316 /nfs/dbraw/zinc/34/83/16/543348316.db2.gz PDGKNMOIWYMTMP-CQSZACIVSA-N 0 3 261.365 3.115 20 30 CGEDHN COCC#CCN(C)C1c2ccccc2-c2ccccc21 ZINC000677480264 543451315 /nfs/dbraw/zinc/45/13/15/543451315.db2.gz UYKDTTXFHDNUHB-UHFFFAOYSA-N 0 3 277.367 3.338 20 30 CGEDHN COCC#CCN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000677818781 543468045 /nfs/dbraw/zinc/46/80/45/543468045.db2.gz VWDDMSOFMUOYMU-UHFFFAOYSA-N 0 3 299.414 3.016 20 30 CGEDHN C=C(C)[C@H](CO)N(CC)Cc1cccc(Br)c1 ZINC000678050389 543479199 /nfs/dbraw/zinc/47/91/99/543479199.db2.gz ZPFTVUBJWNNWLY-AWEZNQCLSA-N 0 3 298.224 3.208 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000678744207 543552256 /nfs/dbraw/zinc/55/22/56/543552256.db2.gz ZYXHWLCOXHZLOJ-KBPBESRZSA-N 0 3 275.392 3.465 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000678742749 543551991 /nfs/dbraw/zinc/55/19/91/543551991.db2.gz PYONYCLUISERQG-QWHCGFSZSA-N 0 3 291.391 3.165 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000678794009 543559279 /nfs/dbraw/zinc/55/92/79/543559279.db2.gz CGEDVGBWKMQOHI-KSSFIOAISA-N 0 3 282.387 3.336 20 30 CGEDHN C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412218 165263508 /nfs/dbraw/zinc/26/35/08/165263508.db2.gz MAPLBOAMHPNTKN-IFXJQAMLSA-N 0 3 292.382 3.492 20 30 CGEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000037217927 173036263 /nfs/dbraw/zinc/03/62/63/173036263.db2.gz KABFRHGKGFEXJR-STQMWFEESA-N 0 3 251.333 3.365 20 30 CGEDHN CCc1ccc([C@@H](O)CNCc2ccc(C#N)s2)cc1 ZINC000285737631 196383893 /nfs/dbraw/zinc/38/38/93/196383893.db2.gz XYZMXIXHOCGTOR-INIZCTEOSA-N 0 3 286.400 3.005 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000127299377 287284985 /nfs/dbraw/zinc/28/49/85/287284985.db2.gz YISVCUGILSRVRC-QGZVFWFLSA-N 0 3 266.344 3.036 20 30 CGEDHN CCC#C[C@H](C)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679871871 543666513 /nfs/dbraw/zinc/66/65/13/543666513.db2.gz BCPKPLRPXYNIDX-STQMWFEESA-N 0 3 299.340 3.341 20 30 CGEDHN C=CCCO[C@H](C)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000680778612 543734672 /nfs/dbraw/zinc/73/46/72/543734672.db2.gz OZYPDWNPGPVGOE-RLAWYHOSSA-N 0 3 291.395 3.064 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cc2ccccc2s1 ZINC000680420372 543710241 /nfs/dbraw/zinc/71/02/41/543710241.db2.gz YCAKVJBALVLOOU-WCQYABFASA-N 0 3 261.390 3.489 20 30 CGEDHN C=C(C)CNCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000682168272 543833972 /nfs/dbraw/zinc/83/39/72/543833972.db2.gz BDWJWAPGMSUZQE-UHFFFAOYSA-N 0 3 281.359 3.499 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)s2)C[C@H]1OC ZINC000131373075 287377652 /nfs/dbraw/zinc/37/76/52/287377652.db2.gz WXFSAEMBUGVXQJ-ZIAGYGMSSA-N 0 3 278.421 3.303 20 30 CGEDHN C=CCCCCCN(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000659260569 418969734 /nfs/dbraw/zinc/96/97/34/418969734.db2.gz NHNUFNQBBAGXLK-QGZVFWFLSA-N 0 3 286.419 3.426 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)Nc2ccccc2CNC)C1 ZINC000659019753 418956519 /nfs/dbraw/zinc/95/65/19/418956519.db2.gz PULHNCKRHBBHPX-AWEZNQCLSA-N 0 3 287.407 3.226 20 30 CGEDHN C=CCCC(C)(C)NC(=O)Nc1cccc(CN)c1 ZINC000659018152 418957132 /nfs/dbraw/zinc/95/71/32/418957132.db2.gz LTXAUKNPUCYUHO-UHFFFAOYSA-N 0 3 261.369 3.012 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659331115 418976215 /nfs/dbraw/zinc/97/62/15/418976215.db2.gz DANVHINQBALANY-JLSDUUJJSA-N 0 3 298.430 3.472 20 30 CGEDHN C=CCCn1cc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)nn1 ZINC000653559670 419047618 /nfs/dbraw/zinc/04/76/18/419047618.db2.gz NQJXSTDIYDBBAE-FMKPAKJESA-N 0 3 274.412 3.007 20 30 CGEDHN CCC#C[C@@H](C)N1CCC2(CC1)OCCc1ccccc12 ZINC000656570608 419184856 /nfs/dbraw/zinc/18/48/56/419184856.db2.gz QQXVJGGAKWJTOP-MRXNPFEDSA-N 0 3 283.415 3.352 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nn1 ZINC000657298186 419245552 /nfs/dbraw/zinc/24/55/52/419245552.db2.gz UMAUIMAOAPPGNQ-HRCADAONSA-N 0 3 288.439 3.303 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000661378329 419255538 /nfs/dbraw/zinc/25/55/38/419255538.db2.gz CVCPGUIUEZVOMS-CQSZACIVSA-N 0 3 284.407 3.065 20 30 CGEDHN C[C@H](CO)[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000661440546 419260176 /nfs/dbraw/zinc/26/01/76/419260176.db2.gz DNNPQQMHULHZAH-RHSMWYFYSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCOCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000656685200 419201885 /nfs/dbraw/zinc/20/18/85/419201885.db2.gz MLKVZPJCKUYDQO-AWEZNQCLSA-N 0 3 267.319 3.134 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C2CCC2)n1C ZINC000661115540 419232311 /nfs/dbraw/zinc/23/23/11/419232311.db2.gz TXKNIJGCLHTWKG-HIFRSBDPSA-N 0 3 288.439 3.307 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)CC2CCCCC2)nn1 ZINC000657451364 419281120 /nfs/dbraw/zinc/28/11/20/419281120.db2.gz QOSONHGHBODBKY-AWEZNQCLSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661657617 419282961 /nfs/dbraw/zinc/28/29/61/419282961.db2.gz BZTLTDKQGKUZEE-GDBMZVCRSA-N 0 3 293.382 3.298 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(C2CCC2)nn1 ZINC000657530050 419299466 /nfs/dbraw/zinc/29/94/66/419299466.db2.gz LWTVPRZCOTUJMH-XJKSGUPXSA-N 0 3 274.412 3.228 20 30 CGEDHN C=CCOc1ccccc1CNCCc1cnccc1C ZINC000657587964 419310989 /nfs/dbraw/zinc/31/09/89/419310989.db2.gz LBCWNLXMSKNJJL-UHFFFAOYSA-N 0 3 282.387 3.287 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CCCC2=O)CC1 ZINC000661956095 419314733 /nfs/dbraw/zinc/31/47/33/419314733.db2.gz WBHYFGKTXGSDKW-CQSZACIVSA-N 0 3 282.387 3.454 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC2(CCCC2=O)CC1 ZINC000661957050 419314806 /nfs/dbraw/zinc/31/48/06/419314806.db2.gz DHRCMKGJEDARIJ-UHFFFAOYSA-N 0 3 282.387 3.202 20 30 CGEDHN C=CCOCCC[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000657658876 419320405 /nfs/dbraw/zinc/32/04/05/419320405.db2.gz ILFXDFPIBZPEGY-UHFFFAOYSA-N 0 3 289.297 3.093 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000662081317 419333283 /nfs/dbraw/zinc/33/32/83/419333283.db2.gz VPCNLONMBVRFJB-DZLJFRASSA-N 0 3 290.451 3.253 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCOCC(F)(F)C(F)(F)F ZINC000662090782 419334272 /nfs/dbraw/zinc/33/42/72/419334272.db2.gz RGAASXDVSILBMC-PHIMTYICSA-N 0 3 299.283 3.384 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000662084981 419334471 /nfs/dbraw/zinc/33/44/71/419334471.db2.gz BRILGLZNLAYTEN-KSZLIROESA-N 0 3 296.414 3.189 20 30 CGEDHN C=CCOc1ccc(CNCC2=CCCC2)cc1OC ZINC000657747957 419335291 /nfs/dbraw/zinc/33/52/91/419335291.db2.gz BHUVCNKHALWQNG-UHFFFAOYSA-N 0 3 273.376 3.460 20 30 CGEDHN C=CCC[C@H](O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662343378 419398226 /nfs/dbraw/zinc/39/82/26/419398226.db2.gz KVOVUQFCYBZISG-DOTOQJQBSA-N 0 3 259.393 3.229 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1csc(N(C)C)n1 ZINC000657899059 419423025 /nfs/dbraw/zinc/42/30/25/419423025.db2.gz UPIZSUHSXWIXCJ-OCCSQVGLSA-N 0 3 279.453 3.434 20 30 CGEDHN C=CCC1(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CCCC1 ZINC000662889622 419502295 /nfs/dbraw/zinc/50/22/95/419502295.db2.gz ZTIAVMDIDQALCQ-HOCLYGCPSA-N 0 3 286.419 3.328 20 30 CGEDHN C=CCC[C@H](NCCO[C@H]1CC1(F)F)c1ccco1 ZINC000658169014 419636051 /nfs/dbraw/zinc/63/60/51/419636051.db2.gz KVJVRKJSSSCRHN-AAEUAGOBSA-N 0 3 271.307 3.301 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cncc(Br)c1 ZINC000658208188 419660628 /nfs/dbraw/zinc/66/06/28/419660628.db2.gz YPDAEJFHYKRPAQ-LLVKDONJSA-N 0 3 299.212 3.087 20 30 CGEDHN C=C(C)CN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000180385961 260100148 /nfs/dbraw/zinc/10/01/48/260100148.db2.gz LMXXHUKFVSOFAN-UHFFFAOYSA-N 0 3 286.375 3.143 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297809231 260135584 /nfs/dbraw/zinc/13/55/84/260135584.db2.gz QTJIVNBTKNDPAW-MRXNPFEDSA-N 0 3 286.419 3.010 20 30 CGEDHN CC[C@@H](C)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000233837386 260316425 /nfs/dbraw/zinc/31/64/25/260316425.db2.gz ZAOWAAJZCJLGGC-OAHLLOKOSA-N 0 3 265.445 3.123 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccccc1OC ZINC000180453879 261423218 /nfs/dbraw/zinc/42/32/18/261423218.db2.gz JSSKLJQXYZDMIL-GFCCVEGCSA-N 0 3 251.395 3.265 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1cc(C)c(Br)s1 ZINC000336761520 262145721 /nfs/dbraw/zinc/14/57/21/262145721.db2.gz NGHWLMNWBRKTGA-DTWKUNHWSA-N 0 3 290.226 3.017 20 30 CGEDHN C[C@@H]1CC(O)C[C@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000191285328 262191080 /nfs/dbraw/zinc/19/10/80/262191080.db2.gz ZIJMGORSVMUBOZ-MZBDJJRSSA-N 0 3 286.419 3.221 20 30 CGEDHN CCSc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccn1 ZINC000193316122 262220629 /nfs/dbraw/zinc/22/06/29/262220629.db2.gz OPBVRIXOVUHYMG-JSGCOSHPSA-N 0 3 275.421 3.366 20 30 CGEDHN C=CCC[C@@H](CC)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000364446483 262241927 /nfs/dbraw/zinc/24/19/27/262241927.db2.gz NXVYRAQLLZCINK-UONOGXRCSA-N 0 3 276.428 3.400 20 30 CGEDHN C=CC[C@@H](CO)NCc1cccc(OCc2ccccc2)c1 ZINC000184273997 262275380 /nfs/dbraw/zinc/27/53/80/262275380.db2.gz KBDWVJPJPFSGLS-SFHVURJKSA-N 0 3 297.398 3.292 20 30 CGEDHN C=CCOc1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000355515910 262370281 /nfs/dbraw/zinc/37/02/81/262370281.db2.gz REDOEZGHZQHTEA-UHFFFAOYSA-N 0 3 287.403 3.254 20 30 CGEDHN CCCn1nccc1C1CCN(CCC(C)(C)C#N)CC1 ZINC000337361945 262447812 /nfs/dbraw/zinc/44/78/12/262447812.db2.gz IPTIHNQIRYKWKQ-UHFFFAOYSA-N 0 3 288.439 3.412 20 30 CGEDHN CO[C@H]1CN(CCC2(C#N)CCCCC2)CC[C@@H]1C ZINC000411613986 262700068 /nfs/dbraw/zinc/70/00/68/262700068.db2.gz QMPMEPQYXNXOCK-GJZGRUSLSA-N 0 3 264.413 3.207 20 30 CGEDHN C=C(C)CCNCc1cn(-c2cccc(F)c2)nc1C ZINC000414461199 262943005 /nfs/dbraw/zinc/94/30/05/262943005.db2.gz DEYQEERAWAJOKN-UHFFFAOYSA-N 0 3 273.355 3.376 20 30 CGEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCC(C)(C)C#N ZINC000271952055 263000640 /nfs/dbraw/zinc/00/06/40/263000640.db2.gz BCJJTGPSLCQRHU-ZDUSSCGKSA-N 0 3 260.385 3.103 20 30 CGEDHN CN(CCC#N)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000272543260 263006320 /nfs/dbraw/zinc/00/63/20/263006320.db2.gz PNIDTFYJEDDQAL-UHFFFAOYSA-N 0 3 296.418 3.162 20 30 CGEDHN C[C@@H](CCC#N)N(C)Cc1ccc(OC(F)F)cc1 ZINC000276274688 263035584 /nfs/dbraw/zinc/03/55/84/263035584.db2.gz DNQICMFWMVXGRU-NSHDSACASA-N 0 3 268.307 3.412 20 30 CGEDHN CC(C)(C#N)CCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000277056266 263039527 /nfs/dbraw/zinc/03/95/27/263039527.db2.gz MNXOYAYKPHYARE-GJZGRUSLSA-N 0 3 294.345 3.324 20 30 CGEDHN COCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(C)o1 ZINC000278773808 263050975 /nfs/dbraw/zinc/05/09/75/263050975.db2.gz PHVABFGEAMQSQV-ZNMIVQPWSA-N 0 3 276.380 3.338 20 30 CGEDHN CCn1nc(CNCC2CCC(C#N)CC2)c2ccccc21 ZINC000281685509 263071125 /nfs/dbraw/zinc/07/11/25/263071125.db2.gz MRFKXLMSPUIDPP-UHFFFAOYSA-N 0 3 296.418 3.476 20 30 CGEDHN N#CC1(CCCN2CCC[C@H]2c2ccc[nH]2)CCOCC1 ZINC000282019726 263073702 /nfs/dbraw/zinc/07/37/02/263073702.db2.gz PBZLMKLSHLFZBT-INIZCTEOSA-N 0 3 287.407 3.252 20 30 CGEDHN COc1ccccc1O[C@@H]1CCCN(CCCCC#N)C1 ZINC000286331170 263098149 /nfs/dbraw/zinc/09/81/49/263098149.db2.gz FXZTZISQWBKWQL-OAHLLOKOSA-N 0 3 288.391 3.232 20 30 CGEDHN COC[C@@H](NCCCSCC#N)c1cccc(Cl)c1 ZINC000288891601 263106318 /nfs/dbraw/zinc/10/63/18/263106318.db2.gz RVKCIBDSZNNZFT-CQSZACIVSA-N 0 3 298.839 3.264 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](c1cccs1)C(C)(C)CO ZINC000289612455 263111086 /nfs/dbraw/zinc/11/10/86/263111086.db2.gz FBRNMJJWPCITDO-ZDUSSCGKSA-N 0 3 280.437 3.337 20 30 CGEDHN C[C@@H]1SCCN(CCOCCC#N)[C@H]1c1ccccc1 ZINC000293027245 263137185 /nfs/dbraw/zinc/13/71/85/263137185.db2.gz ITTBWIIVTJLIGV-GOEBONIOSA-N 0 3 290.432 3.095 20 30 CGEDHN CN(CCOCCC#N)Cc1ccc2ccccc2c1 ZINC000293480508 263141407 /nfs/dbraw/zinc/14/14/07/263141407.db2.gz MJXGQVROYSZERI-UHFFFAOYSA-N 0 3 268.360 3.202 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000340442391 263151925 /nfs/dbraw/zinc/15/19/25/263151925.db2.gz ZRWOPQWVTPVQMX-BDAKNGLRSA-N 0 3 285.174 3.200 20 30 CGEDHN CC[C@H](CC#N)NC[C@H](C)c1cc(F)cc(F)c1 ZINC000294975367 263170332 /nfs/dbraw/zinc/17/03/32/263170332.db2.gz FWPDBQNOJHJGDX-IINYFYTJSA-N 0 3 252.308 3.350 20 30 CGEDHN C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)[C@H](C)O1 ZINC000295696052 263181158 /nfs/dbraw/zinc/18/11/58/263181158.db2.gz LZDXJHSUAFAWBO-VRKREXBASA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@H](CCC#N)N(C)CCOc1ccccc1Cl ZINC000297835090 263210638 /nfs/dbraw/zinc/21/06/38/263210638.db2.gz KCAFQPBDXODTPH-GFCCVEGCSA-N 0 3 266.772 3.343 20 30 CGEDHN COc1ccccc1O[C@H]1CCCN([C@H](C)CCC#N)C1 ZINC000298507041 263220759 /nfs/dbraw/zinc/22/07/59/263220759.db2.gz KLVGGJLQWDKJSG-CABCVRRESA-N 0 3 288.391 3.231 20 30 CGEDHN C#CCCCCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000120149243 263281136 /nfs/dbraw/zinc/28/11/36/263281136.db2.gz AGGKHGAEVKBYMU-UHFFFAOYSA-N 0 3 272.392 3.189 20 30 CGEDHN C=CCN[C@H](C)c1ccc(SCCOC)cc1 ZINC000341741123 263348628 /nfs/dbraw/zinc/34/86/28/263348628.db2.gz CSUODYBKJFQLMP-GFCCVEGCSA-N 0 3 251.395 3.262 20 30 CGEDHN CN1CCC(NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328729702 263861717 /nfs/dbraw/zinc/86/17/17/263861717.db2.gz FRBIDDOXSZIAJO-UHFFFAOYSA-N 0 3 291.395 3.121 20 30 CGEDHN CCc1noc(C)c1C(=O)NCCN1CCCC[C@@H]1CC ZINC000330761378 264031921 /nfs/dbraw/zinc/03/19/21/264031921.db2.gz NGBQOEPWDMFCOC-ZDUSSCGKSA-N 0 3 293.411 3.115 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cccnc1Cl ZINC000129353897 264319269 /nfs/dbraw/zinc/31/92/69/264319269.db2.gz NSJXFDJDWAYAID-JTQLQIEISA-N 0 3 256.802 3.305 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(Cl)nc1 ZINC000129364575 264322547 /nfs/dbraw/zinc/32/25/47/264322547.db2.gz AQEVKWKAWSJXNQ-SNVBAGLBSA-N 0 3 256.802 3.305 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H]2CCSC2)cc1OC ZINC000130570782 264359820 /nfs/dbraw/zinc/35/98/20/264359820.db2.gz ZYCVOXMGZIZLDO-AWEZNQCLSA-N 0 3 293.432 3.197 20 30 CGEDHN C=CCCCN(CC1CC1)[C@](C)(CC)C(=O)OC ZINC000425518674 264429122 /nfs/dbraw/zinc/42/91/22/264429122.db2.gz ZSMYOAYRJFLAED-OAHLLOKOSA-N 0 3 253.386 3.006 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](C)c2cccc3ccccc32)C1=O ZINC000280992390 264470694 /nfs/dbraw/zinc/47/06/94/264470694.db2.gz JEMWEPQKEZYWQJ-KDOFPFPSSA-N 0 3 294.398 3.277 20 30 CGEDHN C=CCC(C)(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000292357213 264865878 /nfs/dbraw/zinc/86/58/78/264865878.db2.gz URDAPOBOMCRXNJ-UHFFFAOYSA-N 0 3 260.381 3.289 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000293362311 264950017 /nfs/dbraw/zinc/95/00/17/264950017.db2.gz BWXLNCMPDROXQT-GDBMZVCRSA-N 0 3 288.435 3.396 20 30 CGEDHN C=CCC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000294041676 265006106 /nfs/dbraw/zinc/00/61/06/265006106.db2.gz WJVAXDHXZOJRHT-UHFFFAOYSA-N 0 3 279.380 3.101 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)CCC(C)(C)C#N)C12CCC2 ZINC000345706631 265097557 /nfs/dbraw/zinc/09/75/57/265097557.db2.gz GAODRWLQMYNEFW-UONOGXRCSA-N 0 3 264.413 3.206 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cccc3cc[nH]c32)C1 ZINC000335685856 265170215 /nfs/dbraw/zinc/17/02/15/265170215.db2.gz YTFUVYOWZUBXLM-DOMZBBRYSA-N 0 3 253.349 3.340 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cccc3cc[nH]c32)C1 ZINC000335685859 265170301 /nfs/dbraw/zinc/17/03/01/265170301.db2.gz YTFUVYOWZUBXLM-WFASDCNBSA-N 0 3 253.349 3.340 20 30 CGEDHN CCC[C@]1(COC)CCCN1Cc1ccccc1C#N ZINC000194918828 266082195 /nfs/dbraw/zinc/08/21/95/266082195.db2.gz FVSDGRPTJZWWIM-QGZVFWFLSA-N 0 3 272.392 3.339 20 30 CGEDHN C=CCOc1ccc(CN2CCCSCC2)cc1 ZINC000357211631 266266655 /nfs/dbraw/zinc/26/66/55/266266655.db2.gz GTULWVFYNMRPRD-UHFFFAOYSA-N 0 3 263.406 3.190 20 30 CGEDHN C=C(CN[C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000367613228 267104957 /nfs/dbraw/zinc/10/49/57/267104957.db2.gz BXRVQZCVGNMLQE-HNNXBMFYSA-N 0 3 253.349 3.090 20 30 CGEDHN C=CCCCCCN1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000369319113 267235158 /nfs/dbraw/zinc/23/51/58/267235158.db2.gz KKFRDEOAJVFLFV-HRCADAONSA-N 0 3 267.413 3.001 20 30 CGEDHN C(#Cc1ccccc1)CN1CC[C@@H](c2ccco2)C1 ZINC000370683522 267338447 /nfs/dbraw/zinc/33/84/47/267338447.db2.gz JUNHXCYUJVRPGL-MRXNPFEDSA-N 0 3 251.329 3.121 20 30 CGEDHN COc1ccc(CC[C@@H](C)NCC2(C#N)CCC2)cc1O ZINC000418137963 267371684 /nfs/dbraw/zinc/37/16/84/267371684.db2.gz FPFMRYLWNZGQSQ-CYBMUJFWSA-N 0 3 288.391 3.005 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccc(C#N)cc1Cl ZINC000528757761 270171036 /nfs/dbraw/zinc/17/10/36/270171036.db2.gz FVDQOPJLJWBGTL-KIGUWFBYSA-N 0 3 278.783 3.113 20 30 CGEDHN N#Cc1ccc(C2(NCc3cccs3)CCOCC2)cc1 ZINC000527812075 268212022 /nfs/dbraw/zinc/21/20/22/268212022.db2.gz PICRXIKUAGUSDL-UHFFFAOYSA-N 0 3 298.411 3.415 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000336615516 274257473 /nfs/dbraw/zinc/25/74/73/274257473.db2.gz YLWCWKLHKCZZAR-SJKOYZFVSA-N 0 3 280.375 3.020 20 30 CGEDHN CCOc1ccc2c(c1)CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000336625671 276377237 /nfs/dbraw/zinc/37/72/37/276377237.db2.gz SCHQTFMVULIBOR-BBRMVZONSA-N 0 3 270.376 3.136 20 30 CGEDHN CO[C@H](C)[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356410238 277713902 /nfs/dbraw/zinc/71/39/02/277713902.db2.gz VYXHAOHAQUIHML-VHSXEESVSA-N 0 3 286.297 3.090 20 30 CGEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)cs1 ZINC000449167810 533690415 /nfs/dbraw/zinc/69/04/15/533690415.db2.gz LCOCNVOCHIMBGE-UHFFFAOYSA-N 0 3 272.373 3.097 20 30 CGEDHN Cc1nc2c(s1)[C@@H](NCc1cccc(C#N)c1)CCC2 ZINC000151388984 282035928 /nfs/dbraw/zinc/03/59/28/282035928.db2.gz PHPHFDKSZIHZLK-AWEZNQCLSA-N 0 3 283.400 3.490 20 30 CGEDHN C[C@H]1CCCCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000334778757 290370134 /nfs/dbraw/zinc/37/01/34/290370134.db2.gz GECGOBAYBYJBAJ-WMLDXEAASA-N 0 3 295.386 3.032 20 30 CGEDHN N#CC1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190950554 294800090 /nfs/dbraw/zinc/80/00/90/294800090.db2.gz FFNHZEYJJMXGRY-HNNXBMFYSA-N 0 3 262.397 3.104 20 30 CGEDHN N#CCCCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192074399 327875550 /nfs/dbraw/zinc/87/55/50/327875550.db2.gz GFYCJPPIAQPFKN-KGLIPLIRSA-N 0 3 282.746 3.202 20 30 CGEDHN N#CCCOCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000339250474 328003502 /nfs/dbraw/zinc/00/35/02/328003502.db2.gz UXVXZZQELXYYDJ-AWEZNQCLSA-N 0 3 278.783 3.060 20 30 CGEDHN C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1 ZINC000266948830 328170890 /nfs/dbraw/zinc/17/08/90/328170890.db2.gz SPCJDPBGXLRHHX-OAHLLOKOSA-N 0 3 299.418 3.054 20 30 CGEDHN C=CC[C@@H]1N(Cc2ccc(C)nn2)CCCC1(C)C ZINC000414444188 328171555 /nfs/dbraw/zinc/17/15/55/328171555.db2.gz KBVBRAALSIDSIK-HNNXBMFYSA-N 0 3 259.397 3.352 20 30 CGEDHN N#CCCCN1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268398174 328184804 /nfs/dbraw/zinc/18/48/04/328184804.db2.gz TWJJHDHTXPEWAM-CABCVRRESA-N 0 3 276.380 3.251 20 30 CGEDHN CN(C)c1cccc([C@@H]2CCCN2CCCC#N)c1 ZINC000173896866 329153327 /nfs/dbraw/zinc/15/33/27/329153327.db2.gz CPBMDGAMQWNGKZ-INIZCTEOSA-N 0 3 257.381 3.193 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](O)c2c(F)cccc2Cl)C1 ZINC000274207780 328209531 /nfs/dbraw/zinc/20/95/31/328209531.db2.gz MXTMCHJECIBNQY-GYSYKLTISA-N 0 3 296.773 3.184 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 ZINC000274640225 328212443 /nfs/dbraw/zinc/21/24/43/328212443.db2.gz QYRYUYMLDBSAJO-OFQRWUPVSA-N 0 3 280.375 3.215 20 30 CGEDHN CN(CCOc1ccc(Cl)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278604539 328228117 /nfs/dbraw/zinc/22/81/17/328228117.db2.gz MBPIJQGBBXLKAN-OCCSQVGLSA-N 0 3 278.783 3.343 20 30 CGEDHN CN1CCN(Cc2ccc(C#N)s2)CC12CCCCC2 ZINC000565174961 322064797 /nfs/dbraw/zinc/06/47/97/322064797.db2.gz ZPINODNNVBXDII-UHFFFAOYSA-N 0 3 289.448 3.070 20 30 CGEDHN CC(C)(C)C1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000565665468 322086747 /nfs/dbraw/zinc/08/67/47/322086747.db2.gz HGUASAOGNNNMCP-UHFFFAOYSA-N 0 3 257.381 3.211 20 30 CGEDHN N#Cc1cnn2cc(CNCCCCC3CCCC3)cnc12 ZINC000566241785 322111126 /nfs/dbraw/zinc/11/11/26/322111126.db2.gz ACKMZGNRRRQLNB-UHFFFAOYSA-N 0 3 297.406 3.051 20 30 CGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986913 322186528 /nfs/dbraw/zinc/18/65/28/322186528.db2.gz IYYQYRMIWFFDLK-BXUZGUMPSA-N 0 3 273.336 3.229 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000567989511 322186618 /nfs/dbraw/zinc/18/66/18/322186618.db2.gz JEFQOYXCTHHGPM-OAHLLOKOSA-N 0 3 285.347 3.231 20 30 CGEDHN C=CCOc1cccc(CN[C@H](C)c2cccnc2)c1 ZINC000342085388 328417612 /nfs/dbraw/zinc/41/76/12/328417612.db2.gz KLIWWUAOYSCPKV-CQSZACIVSA-N 0 3 268.360 3.497 20 30 CGEDHN C=CC[C@H](CC)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000281775402 328502783 /nfs/dbraw/zinc/50/27/83/328502783.db2.gz WZZFZMDKJSOUNR-JQWIXIFHSA-N 0 3 251.326 3.072 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000558431686 327094077 /nfs/dbraw/zinc/09/40/77/327094077.db2.gz NGSFBNHTMVQMDO-OPQOLIRYSA-N 0 3 296.414 3.454 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000313484046 327133202 /nfs/dbraw/zinc/13/32/02/327133202.db2.gz NXILVOVGBOYJIJ-ZDUSSCGKSA-N 0 3 261.365 3.465 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](OC)C2CC2)cc1Cl ZINC000559332800 327160523 /nfs/dbraw/zinc/16/05/23/327160523.db2.gz DUQVTKJEEUBXKL-INIZCTEOSA-N 0 3 295.810 3.419 20 30 CGEDHN C=C(C)COCCNCc1csc(Br)c1 ZINC000131392885 327161600 /nfs/dbraw/zinc/16/16/00/327161600.db2.gz PVTBIEGUIDADEK-UHFFFAOYSA-N 0 3 290.226 3.193 20 30 CGEDHN C[C@@H](NC[C@H](C)C#N)C1CCC(C(F)(F)F)CC1 ZINC000526986307 328818109 /nfs/dbraw/zinc/81/81/09/328818109.db2.gz KHZARZGKCMINMD-QYNFOATHSA-N 0 3 262.319 3.493 20 30 CGEDHN CC#CCCNCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000360969897 328913429 /nfs/dbraw/zinc/91/34/29/328913429.db2.gz WJKWRFUJKOOBAH-UHFFFAOYSA-N 0 3 273.767 3.233 20 30 CGEDHN CCCCCCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171442674 329075867 /nfs/dbraw/zinc/07/58/67/329075867.db2.gz CRFJADABHXPTQS-HNNXBMFYSA-N 0 3 266.429 3.044 20 30 CGEDHN C=CCN(CCc1cccnc1)Cc1cccs1 ZINC000172071270 329080947 /nfs/dbraw/zinc/08/09/47/329080947.db2.gz KIHZBIFDASAHKD-UHFFFAOYSA-N 0 3 258.390 3.374 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)CCCC#N)C1(CC)CC ZINC000177405752 329184090 /nfs/dbraw/zinc/18/40/90/329184090.db2.gz BYQZMIACNQVEIT-KGLIPLIRSA-N 0 3 252.402 3.206 20 30 CGEDHN C=C(C)[C@H](NCCn1ccnc1)c1ccc(F)c(F)c1 ZINC000187773647 329360824 /nfs/dbraw/zinc/36/08/24/329360824.db2.gz VCMPOFGOEBNUFZ-HNNXBMFYSA-N 0 3 277.318 3.068 20 30 CGEDHN C=CCOCCN[C@@H](CC(F)F)c1ccccc1 ZINC000420992075 329796287 /nfs/dbraw/zinc/79/62/87/329796287.db2.gz JWPZSJSBJUSXGK-ZDUSSCGKSA-N 0 3 255.308 3.175 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000248828148 329900122 /nfs/dbraw/zinc/90/01/22/329900122.db2.gz DJBCYAZIJIAXJI-KCQAQPDRSA-N 0 3 260.381 3.469 20 30 CGEDHN C=CC[N@@H+](CCc1ccco1)Cc1ccccc1[O-] ZINC000272697227 330087259 /nfs/dbraw/zinc/08/72/59/330087259.db2.gz XZKLYQXMEMSXAJ-UHFFFAOYSA-N 0 3 257.333 3.216 20 30 CGEDHN C=CC[N@H+](CCc1ccco1)Cc1ccccc1[O-] ZINC000272697227 330087261 /nfs/dbraw/zinc/08/72/61/330087261.db2.gz XZKLYQXMEMSXAJ-UHFFFAOYSA-N 0 3 257.333 3.216 20 30 CGEDHN C=CCN1CCC(Nc2nccc3ccccc32)CC1 ZINC000527882161 330291710 /nfs/dbraw/zinc/29/17/10/330291710.db2.gz QZMYATNKLOZIGV-UHFFFAOYSA-N 0 3 267.376 3.297 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3cccc(F)c3)CC2)C1 ZINC000527936605 330297973 /nfs/dbraw/zinc/29/79/73/330297973.db2.gz POQJRVNRLAFTFO-HIFRSBDPSA-N 0 3 288.366 3.361 20 30 CGEDHN CC(C)(C)[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424182484 330319950 /nfs/dbraw/zinc/31/99/50/330319950.db2.gz AADOWADCSABNTM-CABCVRRESA-N 0 3 299.418 3.184 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000424202270 330327046 /nfs/dbraw/zinc/32/70/46/330327046.db2.gz SPKDQKNBXYEPGJ-WCQYABFASA-N 0 3 262.328 3.006 20 30 CGEDHN C=CCn1cc(CN[C@H](C)[C@H](C)C2CCCCC2)nn1 ZINC000424296499 330336072 /nfs/dbraw/zinc/33/60/72/330336072.db2.gz OTTUYMMORMVEHF-UONOGXRCSA-N 0 3 276.428 3.159 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000428468011 330526018 /nfs/dbraw/zinc/52/60/18/330526018.db2.gz CFYXBDLZVVIFCL-GJZGRUSLSA-N 0 3 282.391 3.274 20 30 CGEDHN N#CCC1(CN[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000430749640 330572953 /nfs/dbraw/zinc/57/29/53/330572953.db2.gz KVXMXCYSEUPUQG-NVXWUHKLSA-N 0 3 284.403 3.438 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc(-c2ccccc2)c[nH]1 ZINC000435736726 330661417 /nfs/dbraw/zinc/66/14/17/330661417.db2.gz YMYNDAPKIVWIRQ-YJBOKZPZSA-N 0 3 297.402 3.148 20 30 CGEDHN Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c(OCCN(C)C)c1 ZINC000442864011 330788348 /nfs/dbraw/zinc/78/83/48/330788348.db2.gz YGKXVRJFPIQWLO-GJZGRUSLSA-N 0 3 287.407 3.040 20 30 CGEDHN COCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000446764139 330853915 /nfs/dbraw/zinc/85/39/15/330853915.db2.gz DNASUOCLLAXNDG-MJBXVCDLSA-N 0 3 262.353 3.029 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)cs1 ZINC000449549355 330935955 /nfs/dbraw/zinc/93/59/55/330935955.db2.gz XCULYJCQZBJXQR-NEPJUHHUSA-N 0 3 257.786 3.225 20 30 CGEDHN C=C(CC)CNCc1cnc(-c2ccccn2)s1 ZINC000449730055 330946119 /nfs/dbraw/zinc/94/61/19/330946119.db2.gz CNNAAHXHSQVOKN-UHFFFAOYSA-N 0 3 259.378 3.261 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2cc(Cl)ccc21 ZINC000451608340 331036536 /nfs/dbraw/zinc/03/65/36/331036536.db2.gz AUBWDPLWEVDMMZ-KFWWJZLASA-N 0 3 263.768 3.260 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000452021570 331050663 /nfs/dbraw/zinc/05/06/63/331050663.db2.gz VFQITMFVPJMYFU-HZPDHXFCSA-N 0 3 277.795 3.239 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(F)c1F ZINC000453357363 331121837 /nfs/dbraw/zinc/12/18/37/331121837.db2.gz OLFAWVRAJWBXDK-HONMWMINSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ncccc1CC ZINC000453373880 331124465 /nfs/dbraw/zinc/12/44/65/331124465.db2.gz WXLWWRZQBBLMQH-CFVMTHIKSA-N 0 3 260.381 3.028 20 30 CGEDHN C=CCCC[N@@H+](C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459370550 331278718 /nfs/dbraw/zinc/27/87/18/331278718.db2.gz ITHWGJMMCHQFHI-UHFFFAOYSA-N 0 3 283.375 3.247 20 30 CGEDHN C=CCCC[N@H+](C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459370550 331278719 /nfs/dbraw/zinc/27/87/19/331278719.db2.gz ITHWGJMMCHQFHI-UHFFFAOYSA-N 0 3 283.375 3.247 20 30 CGEDHN C=CCOc1ccccc1CNCC(C)(C)CC#N ZINC000459688907 331294616 /nfs/dbraw/zinc/29/46/16/331294616.db2.gz IBQONYMAHZDTQT-UHFFFAOYSA-N 0 3 258.365 3.281 20 30 CGEDHN Cc1nn(C(C)(C)C)c(C)c1CNCC(C)(C)CC#N ZINC000459730023 331296368 /nfs/dbraw/zinc/29/63/68/331296368.db2.gz LGJMRSHJTVHKHE-UHFFFAOYSA-N 0 3 276.428 3.284 20 30 CGEDHN CC#CCCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000462357270 331320324 /nfs/dbraw/zinc/32/03/24/331320324.db2.gz SNNHNAHQDXREKT-HNNXBMFYSA-N 0 3 263.768 3.207 20 30 CGEDHN C=CCCCCCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000488437797 332008334 /nfs/dbraw/zinc/00/83/34/332008334.db2.gz XAANGNKUYIPLBF-GFCCVEGCSA-N 0 3 265.319 3.122 20 30 CGEDHN C=CCOc1ccccc1CN1CCN(C)[C@@H](C(C)C)C1 ZINC000488530506 332015653 /nfs/dbraw/zinc/01/56/53/332015653.db2.gz CZNNHMQJCVNTGT-QGZVFWFLSA-N 0 3 288.435 3.023 20 30 CGEDHN C[C@@H]1C[C@@H]1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000488568629 332017948 /nfs/dbraw/zinc/01/79/48/332017948.db2.gz BIJPJLAUWYVKOE-DGCLKSJQSA-N 0 3 267.294 3.303 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000489406110 332050680 /nfs/dbraw/zinc/05/06/80/332050680.db2.gz RHYZJBMEBBKRCS-IRXDYDNUSA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)N(C)c1ccccc1 ZINC000489448702 332053216 /nfs/dbraw/zinc/05/32/16/332053216.db2.gz NGJSVLSGJPJUAK-HNNXBMFYSA-N 0 3 272.392 3.080 20 30 CGEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000491667232 332275520 /nfs/dbraw/zinc/27/55/20/332275520.db2.gz HXYTZJWJIKAXTG-OLZOCXBDSA-N 0 3 292.810 3.367 20 30 CGEDHN C#C[C@@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000491677626 332282421 /nfs/dbraw/zinc/28/24/21/332282421.db2.gz QZJFIBJMVDDQIB-GUYJKWIASA-N 0 3 261.340 3.046 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000494589331 332478921 /nfs/dbraw/zinc/47/89/21/332478921.db2.gz IDIBYFTXLUKIJZ-CYBMUJFWSA-N 0 3 274.364 3.260 20 30 CGEDHN CC#CCCN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000500162539 332601193 /nfs/dbraw/zinc/60/11/93/332601193.db2.gz QSRIATNUOACCTK-UHFFFAOYSA-N 0 3 275.367 3.369 20 30 CGEDHN CC(C#N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000336711879 335114199 /nfs/dbraw/zinc/11/41/99/335114199.db2.gz LMKJUXRHUFEQND-CQSZACIVSA-N 0 3 294.354 3.041 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000305819150 333000040 /nfs/dbraw/zinc/00/00/40/333000040.db2.gz PREGOAPVGWQXNN-CZUORRHYSA-N 0 3 297.826 3.286 20 30 CGEDHN COc1ccc(OC2CCN(CCCCC#N)CC2)cc1 ZINC000524371331 333360766 /nfs/dbraw/zinc/36/07/66/333360766.db2.gz AUZLLWPTFYNKBV-UHFFFAOYSA-N 0 3 288.391 3.232 20 30 CGEDHN C[C@H]1CC[C@@H](N(CC#Cc2cccc(Cl)c2)CCO)C1 ZINC000572529508 333383915 /nfs/dbraw/zinc/38/39/15/333383915.db2.gz WIOFCTRZMFJQOD-WMLDXEAASA-N 0 3 291.822 3.174 20 30 CGEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(C)C#N ZINC000524768004 333387724 /nfs/dbraw/zinc/38/77/24/333387724.db2.gz AUVYGBFNQDAYOO-FVQBIDKESA-N 0 3 270.376 3.331 20 30 CGEDHN CCC(C#N)(CC)C(=O)Nc1ccccc1CCN(C)C ZINC000529124485 333472852 /nfs/dbraw/zinc/47/28/52/333472852.db2.gz ROIOGNDTPASLDC-UHFFFAOYSA-N 0 3 287.407 3.059 20 30 CGEDHN Cc1ccc(C)c([C@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000336527721 533713384 /nfs/dbraw/zinc/71/33/84/533713384.db2.gz YYUDCUNGZQCORB-UKRRQHHQSA-N 0 3 256.349 3.127 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccccc1OC(C)C ZINC000539226340 333662304 /nfs/dbraw/zinc/66/23/04/333662304.db2.gz SQLQHHRRDFEPIQ-HUUCEWRRSA-N 0 3 277.408 3.452 20 30 CGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000549469093 334194922 /nfs/dbraw/zinc/19/49/22/334194922.db2.gz REAXBRNWRSKTSM-ILXRZTDVSA-N 0 3 292.423 3.122 20 30 CGEDHN C=CCOCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000549860976 334207244 /nfs/dbraw/zinc/20/72/44/334207244.db2.gz UTQSXEPKUOALKK-CZUORRHYSA-N 0 3 263.356 3.411 20 30 CGEDHN C=CCOCCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550009882 334211163 /nfs/dbraw/zinc/21/11/63/334211163.db2.gz GPVIFUMTUIYYNJ-INIZCTEOSA-N 0 3 295.810 3.386 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000550961831 334234992 /nfs/dbraw/zinc/23/49/92/334234992.db2.gz MLZBYBQXRIJJQL-OAHLLOKOSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCC[C@@H](CC)NCc1cn2cccc(C)c2n1 ZINC000090045077 334356395 /nfs/dbraw/zinc/35/63/95/334356395.db2.gz QWOJZUBCTYDKAI-CQSZACIVSA-N 0 3 257.381 3.477 20 30 CGEDHN CCOC[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180685 334358398 /nfs/dbraw/zinc/35/83/98/334358398.db2.gz JFFPATRQVABJAU-GFCCVEGCSA-N 0 3 285.309 3.072 20 30 CGEDHN N#C[C@@H](c1ccccc1)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000156482819 334743196 /nfs/dbraw/zinc/74/31/96/334743196.db2.gz PSSIHGWDGKIENO-MJGOQNOKSA-N 0 3 295.430 3.225 20 30 CGEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576706809 335238003 /nfs/dbraw/zinc/23/80/03/335238003.db2.gz AHAIDSOFHQBEND-RISCZKNCSA-N 0 3 273.336 3.087 20 30 CGEDHN COc1cc(F)c(CN[C@H]2CC[C@@H](CC#N)C2)cc1OC ZINC000577224899 335326007 /nfs/dbraw/zinc/32/60/07/335326007.db2.gz GZWLSYUYMBIEHG-AAEUAGOBSA-N 0 3 292.354 3.015 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C1(C)C ZINC000176985908 335351966 /nfs/dbraw/zinc/35/19/66/335351966.db2.gz VANFVACPHBXSCA-HUUCEWRRSA-N 0 3 276.380 3.225 20 30 CGEDHN Cn1cc(CN[C@@H]2CCCCc3ccccc32)cc1C#N ZINC000577559976 335368350 /nfs/dbraw/zinc/36/83/50/335368350.db2.gz UGSCQKCPZGYEAR-GOSISDBHSA-N 0 3 279.387 3.454 20 30 CGEDHN C[C@H]1CCCC[C@@H]1OCCNCc1cc(C#N)cs1 ZINC000177687825 335379254 /nfs/dbraw/zinc/37/92/54/335379254.db2.gz FCSRHKBZQHMFTK-WFASDCNBSA-N 0 3 278.421 3.305 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000349429001 335467237 /nfs/dbraw/zinc/46/72/37/335467237.db2.gz PIYIKWJAXNMYBY-ZLDLUXBVSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCC[C@@H](NCC(=O)N(C)CC1CC1)c1ccccc1 ZINC000180036529 335543628 /nfs/dbraw/zinc/54/36/28/335543628.db2.gz LYLOGZXOYFMBHF-QGZVFWFLSA-N 0 3 286.419 3.152 20 30 CGEDHN C[C@H](CCc1cccc(F)c1)N1CCC(C#N)CC1 ZINC000183218887 335880022 /nfs/dbraw/zinc/88/00/22/335880022.db2.gz YONXFTTXULTCPS-CYBMUJFWSA-N 0 3 260.356 3.382 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000194966989 336041325 /nfs/dbraw/zinc/04/13/25/336041325.db2.gz CUNOZIBVIFKUAM-KRWDZBQOSA-N 0 3 270.376 3.092 20 30 CGEDHN C=C(C)CCNCc1cc2c(cc1Br)OCO2 ZINC000386907160 336181920 /nfs/dbraw/zinc/18/19/20/336181920.db2.gz PPEIRFKBAOLBKX-UHFFFAOYSA-N 0 3 298.180 3.234 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc(C(F)(F)F)cc2)CN1C ZINC000746575687 572881212 /nfs/dbraw/zinc/88/12/12/572881212.db2.gz GNYLFMHOYYKWOK-VIFPVBQESA-N 0 3 271.286 3.197 20 30 CGEDHN C[C@@]1(NCc2ccc(C#N)cc2Cl)CCO[C@@H]1C1CC1 ZINC000439438650 534274591 /nfs/dbraw/zinc/27/45/91/534274591.db2.gz MKVRFQHKYRBNNU-HZPDHXFCSA-N 0 3 290.794 3.259 20 30 CGEDHN Cc1cccc(CCN[C@H](C)c2ccc(C#N)cc2F)n1 ZINC000359018549 534696219 /nfs/dbraw/zinc/69/62/19/534696219.db2.gz YBUULRDMCSEHGS-CYBMUJFWSA-N 0 3 283.350 3.294 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000155961453 523527638 /nfs/dbraw/zinc/52/76/38/523527638.db2.gz AAVXKOXRYRCKBZ-GJZGRUSLSA-N 0 3 270.376 3.189 20 30 CGEDHN N#Cc1ccc(CN2CCSC3(CCC3)CC2)cc1 ZINC000411872306 534782918 /nfs/dbraw/zinc/78/29/18/534782918.db2.gz UZMPZLHHBDUACJ-UHFFFAOYSA-N 0 3 272.417 3.420 20 30 CGEDHN Cc1ccccc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000336038838 534812831 /nfs/dbraw/zinc/81/28/31/534812831.db2.gz RXBFPZZUCWFLCF-UHFFFAOYSA-N 0 3 291.398 3.447 20 30 CGEDHN C=C(C)CCN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347313676 526443113 /nfs/dbraw/zinc/44/31/13/526443113.db2.gz GBEBWPHUPCDYPR-HUUCEWRRSA-N 0 3 277.433 3.453 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000414132811 528085270 /nfs/dbraw/zinc/08/52/70/528085270.db2.gz AZSQXIMEPCXFMM-FPMFFAJLSA-N 0 3 276.355 3.304 20 30 CGEDHN CCSc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000347132773 529245983 /nfs/dbraw/zinc/24/59/83/529245983.db2.gz JZPYKBSKORBLBJ-GHMZBOCLSA-N 0 3 262.378 3.135 20 30 CGEDHN CC(C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416338 572351930 /nfs/dbraw/zinc/35/19/30/572351930.db2.gz CMWZLABDUOXITM-VIFPVBQESA-N 0 3 262.309 3.268 20 30 CGEDHN C#CCSCCNCc1cccc(OC2CCCC2)c1 ZINC000740014632 572428646 /nfs/dbraw/zinc/42/86/46/572428646.db2.gz PEKWOZYMHMSMQZ-UHFFFAOYSA-N 0 3 289.444 3.464 20 30 CGEDHN C#CCCN1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000740748275 572455633 /nfs/dbraw/zinc/45/56/33/572455633.db2.gz BCXAQFWDCYIVJK-UHFFFAOYSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(Cl)CN(CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000741054729 572480032 /nfs/dbraw/zinc/48/00/32/572480032.db2.gz UJFQCEZRBWWKPU-UPJWGTAASA-N 0 3 257.805 3.264 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CC=CC3)nc21 ZINC000741121781 572482103 /nfs/dbraw/zinc/48/21/03/572482103.db2.gz JFXLZZFNSUOGOB-GFCCVEGCSA-N 0 3 265.316 3.014 20 30 CGEDHN C=CC1CCN([C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000743849529 572688934 /nfs/dbraw/zinc/68/89/34/572688934.db2.gz SPNQNOYQKFNJNF-SFHVURJKSA-N 0 3 298.430 3.388 20 30 CGEDHN CC(C)[C@H](C)N(C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744147526 572713988 /nfs/dbraw/zinc/71/39/88/572713988.db2.gz RJTQGVKLVYLGGN-AWEZNQCLSA-N 0 3 282.391 3.356 20 30 CGEDHN CCCCCCN(C)CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000735658412 572737336 /nfs/dbraw/zinc/73/73/36/572737336.db2.gz ATCAOSOCNNOEKB-NVXWUHKLSA-N 0 3 293.455 3.087 20 30 CGEDHN CCCCCCCCCN(C)C(=O)[C@H]1CCCN1C ZINC000748564435 572980402 /nfs/dbraw/zinc/98/04/02/572980402.db2.gz JOPBSHGYXSTNJS-OAHLLOKOSA-N 0 3 268.445 3.290 20 30 CGEDHN CCOc1ccc(/C=N/[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([O-])c1 ZINC000749844616 573045709 /nfs/dbraw/zinc/04/57/09/573045709.db2.gz KZBIWVSMIDQMQI-SIRBDXHCSA-N 0 3 290.407 3.083 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894241 608464686 /nfs/dbraw/zinc/46/46/86/608464686.db2.gz LHVQRHRCRTVBQZ-OLZOCXBDSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894241 608464687 /nfs/dbraw/zinc/46/46/87/608464687.db2.gz LHVQRHRCRTVBQZ-OLZOCXBDSA-N 0 3 285.395 3.262 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000949631726 613241228 /nfs/dbraw/zinc/24/12/28/613241228.db2.gz PVQOUYZOGRWEGW-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000980714747 613254736 /nfs/dbraw/zinc/25/47/36/613254736.db2.gz IOIUFNOQNCITNM-UHFFFAOYSA-N 0 3 296.798 3.047 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977449368 613341988 /nfs/dbraw/zinc/34/19/88/613341988.db2.gz JGSCGORYCKQJGZ-ZBFHGGJFSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2cscc2Cl)CC1 ZINC000981401433 613499012 /nfs/dbraw/zinc/49/90/12/613499012.db2.gz PSMVPWLYBWILRN-UHFFFAOYSA-N 0 3 298.839 3.126 20 30 CGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C)C1 ZINC000964682910 613516919 /nfs/dbraw/zinc/51/69/19/613516919.db2.gz GQCLJFKGJMEWRZ-OCCSQVGLSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000972456487 613614060 /nfs/dbraw/zinc/61/40/60/613614060.db2.gz AGMFCVABGHQBKK-DOTOQJQBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC000968751298 613684079 /nfs/dbraw/zinc/68/40/79/613684079.db2.gz ZWTKSBONORIOTN-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC000968793619 613687369 /nfs/dbraw/zinc/68/73/69/613687369.db2.gz JFYNRGNJNHQVAO-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000940619902 613741874 /nfs/dbraw/zinc/74/18/74/613741874.db2.gz CQZVCEFJGCODOF-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2Cl)CCC1 ZINC000933301394 618196911 /nfs/dbraw/zinc/19/69/11/618196911.db2.gz NRXPMNYQFMRHCK-LBPRGKRZSA-N 0 3 290.794 3.203 20 30 CGEDHN Cc1ccc(CNCc2ccc(OCC#N)cc2)s1 ZINC000048068742 618623915 /nfs/dbraw/zinc/62/39/15/618623915.db2.gz LBGSBYGWGZHLCV-UHFFFAOYSA-N 0 3 272.373 3.249 20 30 CGEDHN Cc1ncc(CCN[C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000781420444 618703001 /nfs/dbraw/zinc/70/30/01/618703001.db2.gz ABMFDWKXLWYDHV-JTQLQIEISA-N 0 3 289.379 3.356 20 30 CGEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000892489306 618808501 /nfs/dbraw/zinc/80/85/01/618808501.db2.gz HMWKSJOVXGQPJQ-HNNXBMFYSA-N 0 3 298.386 3.499 20 30 CGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCF)cc1 ZINC000892501482 618816351 /nfs/dbraw/zinc/81/63/51/618816351.db2.gz OYEVRNZPCJVRCY-SMDDNHRTSA-N 0 3 290.338 3.207 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCCOC2)c([O-])c1 ZINC000255912223 618879469 /nfs/dbraw/zinc/87/94/69/618879469.db2.gz NQGSXBZRQHIGCL-IIMQCXAKSA-N 0 3 290.407 3.084 20 30 CGEDHN C[C@H](C[C@@H](O)c1cccs1)NCC#Cc1ccccc1 ZINC000893268345 619054767 /nfs/dbraw/zinc/05/47/67/619054767.db2.gz VEQJKROFLLKYDK-GDBMZVCRSA-N 0 3 285.412 3.201 20 30 CGEDHN C#C[C@H](N[C@@H](CC)c1ccc(C)cc1)[C@H]1CCCO1 ZINC000775574284 619078112 /nfs/dbraw/zinc/07/81/12/619078112.db2.gz OVAYEYFESXFUDM-YESZJQIVSA-N 0 3 257.377 3.217 20 30 CGEDHN N#CC1(CCCCN2CCOC[C@@H]2C2CCC2)CCC1 ZINC000930820432 619079569 /nfs/dbraw/zinc/07/95/69/619079569.db2.gz OYVOBIJSAHVMSX-MRXNPFEDSA-N 0 3 276.424 3.351 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)s1 ZINC000931923530 619281228 /nfs/dbraw/zinc/28/12/28/619281228.db2.gz UAEDTDFUVAPSEC-WMLDXEAASA-N 0 3 280.396 3.393 20 30 CGEDHN CCCCCCCCc1nnc(NC(=O)C(C)(C)N)s1 ZINC000236636758 619304703 /nfs/dbraw/zinc/30/47/03/619304703.db2.gz ZWFZHCGIFBIAHM-UHFFFAOYSA-N 0 3 298.456 3.117 20 30 CGEDHN C[C@H](NN=Cc1ccc(N(C)CCC#N)cc1)C(C)(C)C ZINC000793117365 619682385 /nfs/dbraw/zinc/68/23/85/619682385.db2.gz XEKGZSYPZSSKIQ-AWEZNQCLSA-N 0 3 286.423 3.395 20 30 CGEDHN CC(C)(NCc1cn2ccnc2s1)c1cccc(C#N)c1 ZINC000895327909 619805500 /nfs/dbraw/zinc/80/55/00/619805500.db2.gz INWFLDQWENWLIF-UHFFFAOYSA-N 0 3 296.399 3.292 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](c3ccc(O)cc3)C2)cs1 ZINC000895667076 619868314 /nfs/dbraw/zinc/86/83/14/619868314.db2.gz YBLYPNGYMVNGPD-CQSZACIVSA-N 0 3 284.384 3.315 20 30 CGEDHN CCCCCCCCCC(=O)N1CCNC(C)(C)C1 ZINC000148053711 620064078 /nfs/dbraw/zinc/06/40/78/620064078.db2.gz HNPFLSDBRODSTP-UHFFFAOYSA-N 0 3 268.445 3.338 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2COCC2(C)C)c([O-])c1 ZINC000840708338 620093881 /nfs/dbraw/zinc/09/38/81/620093881.db2.gz FUAIQTUVVDCAIR-HKJBKDEOSA-N 0 3 290.407 3.082 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@H]2OC)c([O-])c1 ZINC000840710781 620123309 /nfs/dbraw/zinc/12/33/09/620123309.db2.gz UXKDCAROMVVUQC-GIBKEPBISA-N 0 3 290.407 3.225 20 30 CGEDHN C=C1CCC(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000897240827 620169109 /nfs/dbraw/zinc/16/91/09/620169109.db2.gz RLFPVKAJUIZAJV-MSOLQXFVSA-N 0 3 298.430 3.294 20 30 CGEDHN C[C@H](c1ccccn1)N(C)CCCOc1ccc(C#N)cc1 ZINC000179146532 620349832 /nfs/dbraw/zinc/34/98/32/620349832.db2.gz IWNFFERDDINETC-OAHLLOKOSA-N 0 3 295.386 3.415 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3F)C2)o1 ZINC000897881904 620443300 /nfs/dbraw/zinc/44/33/00/620443300.db2.gz FLZRAAKVYNGNHC-UMSPYCQHSA-N 0 3 288.297 3.465 20 30 CGEDHN CC1(C)CC2(CC(NCc3cccc(F)c3C#N)C2)CO1 ZINC000897970940 620451049 /nfs/dbraw/zinc/45/10/49/620451049.db2.gz RDQHSTCSPOHFBA-UHFFFAOYSA-N 0 3 288.366 3.135 20 30 CGEDHN CN(CCSc1ccncc1)Cc1cccc(C#N)c1 ZINC000929162140 620517989 /nfs/dbraw/zinc/51/79/89/620517989.db2.gz IJGUOJOXTWMQGB-UHFFFAOYSA-N 0 3 283.400 3.177 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001014588976 620554671 /nfs/dbraw/zinc/55/46/71/620554671.db2.gz TWLVISJFIYSVSB-CYBMUJFWSA-N 0 3 292.448 3.081 20 30 CGEDHN C=CC(C)(C)NCc1cnc(-c2ccncc2)s1 ZINC000898457182 620589782 /nfs/dbraw/zinc/58/97/82/620589782.db2.gz LLKAXFPBZGMZLJ-UHFFFAOYSA-N 0 3 259.378 3.259 20 30 CGEDHN C[C@@H]1CC(NN=C2CCCNc3ccccc32)C[C@@H](C)O1 ZINC000901308552 620852756 /nfs/dbraw/zinc/85/27/56/620852756.db2.gz UTYCSTFMBZWLGM-CHWSQXEVSA-N 0 3 287.407 3.142 20 30 CGEDHN CN(C)[C@H](CNCc1csc(C#N)c1)c1ccsc1 ZINC000921503170 625456496 /nfs/dbraw/zinc/45/64/96/625456496.db2.gz RLMBKLQLPABMQP-CQSZACIVSA-N 0 3 291.445 3.074 20 30 CGEDHN C=CCCCCC[C@H](C)NCc1csc(N)n1 ZINC000902499981 621346392 /nfs/dbraw/zinc/34/63/92/621346392.db2.gz RNPUPFXILDIFRD-NSHDSACASA-N 0 3 253.415 3.340 20 30 CGEDHN C[C@H](NCCCN(C)c1ccccc1)c1cc(C#N)ccn1 ZINC000902722831 621410569 /nfs/dbraw/zinc/41/05/69/621410569.db2.gz IGTNZMJYGFKSET-HNNXBMFYSA-N 0 3 294.402 3.130 20 30 CGEDHN Cc1cc(C)cc(OCCN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902772497 621434357 /nfs/dbraw/zinc/43/43/57/621434357.db2.gz SMXBHTMTNSGMLH-OAHLLOKOSA-N 0 3 295.386 3.300 20 30 CGEDHN C=C(Br)CN[C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902792868 621449777 /nfs/dbraw/zinc/44/97/77/621449777.db2.gz DUHRZWTVOPQJFI-WCQYABFASA-N 0 3 296.208 3.124 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902886170 621484728 /nfs/dbraw/zinc/48/47/28/621484728.db2.gz LWKJKBKVLQBEFS-WDEREUQCSA-N 0 3 284.363 3.012 20 30 CGEDHN C[C@@H](NC[C@@H]1CCCC1(F)F)c1cc(C#N)ccn1 ZINC000903008232 621531950 /nfs/dbraw/zinc/53/19/50/621531950.db2.gz MIRYJBAABQYGQN-PWSUYJOCSA-N 0 3 265.307 3.039 20 30 CGEDHN CC[C@H](N[C@@H]1CCCn2nccc21)c1cccc(C#N)c1 ZINC000903084834 621564683 /nfs/dbraw/zinc/56/46/83/621564683.db2.gz KMGPENVLTGMAJX-JKSUJKDBSA-N 0 3 280.375 3.331 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(CC2CCC2)c1 ZINC000903191709 621619836 /nfs/dbraw/zinc/61/98/36/621619836.db2.gz DSVCNMIIUKEJLD-DUVNUKRYSA-N 0 3 272.396 3.026 20 30 CGEDHN CC1/C(=C\c2ccc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905085011 622033765 /nfs/dbraw/zinc/03/37/65/622033765.db2.gz LCJGXMSSNBBIQQ-FKVCUQLRSA-N 0 3 287.388 3.478 20 30 CGEDHN CC(C)c1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905084628 622033839 /nfs/dbraw/zinc/03/38/39/622033839.db2.gz JJHDPFLZQJFAOR-ZEVOCZHWSA-N 0 3 267.332 3.242 20 30 CGEDHN CSC1(CNC[C@@H](C#N)CCC#N)CCCCC1 ZINC000905833308 622115071 /nfs/dbraw/zinc/11/50/71/622115071.db2.gz CYUODSSBUKDBEW-CYBMUJFWSA-N 0 3 265.426 3.085 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000912368424 622644470 /nfs/dbraw/zinc/64/44/70/622644470.db2.gz PORRBAVIEWLMDW-RISCZKNCSA-N 0 3 280.437 3.226 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000912449523 622657875 /nfs/dbraw/zinc/65/78/75/622657875.db2.gz RPJCSRVIQHZVPJ-CYBMUJFWSA-N 0 3 299.374 3.327 20 30 CGEDHN COc1cc(C)cc(CN(C)Cc2ccc(C#N)cc2)c1O ZINC000163969920 622810830 /nfs/dbraw/zinc/81/08/30/622810830.db2.gz NHTNRWPGWBEWHO-UHFFFAOYSA-N 0 3 296.370 3.213 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000164633049 622839564 /nfs/dbraw/zinc/83/95/64/622839564.db2.gz MBOABXFJNBOGNX-CHWSQXEVSA-N 0 3 257.805 3.456 20 30 CGEDHN C#CCNC1(c2ccc(Br)cc2)CCC1 ZINC000170643608 623086105 /nfs/dbraw/zinc/08/61/05/623086105.db2.gz BGWNGSLKALRPSX-UHFFFAOYSA-N 0 3 264.166 3.051 20 30 CGEDHN Cc1cc(O)c(CNCc2ccc(C#N)cc2F)cc1C ZINC000174360142 623389820 /nfs/dbraw/zinc/38/98/20/623389820.db2.gz SHNFJPOAIZOTDH-UHFFFAOYSA-N 0 3 284.334 3.310 20 30 CGEDHN CCC(=NNC12CC(C1)C2)c1ccc(N(C)C)cc1 ZINC000842545763 623522995 /nfs/dbraw/zinc/52/29/95/623522995.db2.gz MRSPSGXEUKAIAG-UHFFFAOYSA-N 0 3 257.381 3.009 20 30 CGEDHN CC[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921474071 624598845 /nfs/dbraw/zinc/59/88/45/624598845.db2.gz LWBHWYXMCRARED-VIFPVBQESA-N 0 3 267.170 3.209 20 30 CGEDHN C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1[O-] ZINC000179888047 624694609 /nfs/dbraw/zinc/69/46/09/624694609.db2.gz IABKWRQOWVFDPH-CYBMUJFWSA-N 0 3 282.343 3.145 20 30 CGEDHN C#CCCCCCOC(=O)c1cccc(CN(C)C)c1 ZINC000835277938 634427096 /nfs/dbraw/zinc/42/70/96/634427096.db2.gz LHHAAYQWYCLORU-UHFFFAOYSA-N 0 3 273.376 3.099 20 30 CGEDHN CC#CCCCCOC(=O)c1cccc(CN(C)C)c1 ZINC000835310474 634444458 /nfs/dbraw/zinc/44/44/58/634444458.db2.gz KCOACIAJACVLDI-UHFFFAOYSA-N 0 3 273.376 3.099 20 30 CGEDHN N#Cc1cc(CNC[C@H]2OCCc3sccc32)cs1 ZINC000921792660 625876888 /nfs/dbraw/zinc/87/68/88/625876888.db2.gz PDQVTOWOHMJWQD-CYBMUJFWSA-N 0 3 290.413 3.085 20 30 CGEDHN C=CCCC[C@H](C)NCc1csc(-c2ccn(C)n2)n1 ZINC000921969973 625947669 /nfs/dbraw/zinc/94/76/69/625947669.db2.gz YMQLVSAPKSESBV-LBPRGKRZSA-N 0 3 290.436 3.378 20 30 CGEDHN C[C@@H]1CCN(Cc2cncc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000929259532 625955980 /nfs/dbraw/zinc/95/59/80/625955980.db2.gz GAAMXJDOVGLWTO-KBRIMQKVSA-N 0 3 269.392 3.354 20 30 CGEDHN C=CCOc1cccc(CNCc2cc(N(C)C)ccn2)c1 ZINC000922478732 626008681 /nfs/dbraw/zinc/00/86/81/626008681.db2.gz CXGHOBQHDANTIF-UHFFFAOYSA-N 0 3 297.402 3.002 20 30 CGEDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000922598915 626018058 /nfs/dbraw/zinc/01/80/58/626018058.db2.gz BVBAJGKCDAYDID-UHFFFAOYSA-N 0 3 295.386 3.078 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)cs2)CC1 ZINC001005362224 626089720 /nfs/dbraw/zinc/08/97/20/626089720.db2.gz PKDCUROVZMKBGN-UHFFFAOYSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(C3CCC3)CCC2)CC1 ZINC001005789487 626096634 /nfs/dbraw/zinc/09/66/34/626096634.db2.gz QPVOMJKHSOKEGW-UHFFFAOYSA-N 0 3 290.451 3.066 20 30 CGEDHN Cc1cc(C)cc(N=NC2C[C@@H](C)N(C3CC3)C2)c1 ZINC000753955648 626469994 /nfs/dbraw/zinc/46/99/94/626469994.db2.gz PGSCIPJCJNDCMX-CYBMUJFWSA-N 0 3 257.381 3.328 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000754673767 626581739 /nfs/dbraw/zinc/58/17/39/626581739.db2.gz YVOCIRBITKGOCR-KBPBESRZSA-N 0 3 292.448 3.296 20 30 CGEDHN C1CCN([C@@H]2CCCCC2=NO[C@H]2CCCCO2)CC1 ZINC000755825180 626651968 /nfs/dbraw/zinc/65/19/68/626651968.db2.gz VJBKMWVWRPFNQE-CVEARBPZSA-N 0 3 280.412 3.314 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)c(F)c1 ZINC000755891510 626656996 /nfs/dbraw/zinc/65/69/96/626656996.db2.gz HYVNDFXHGOMGJF-VIFPVBQESA-N 0 3 281.762 3.361 20 30 CGEDHN C=C(Cl)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000839590272 626763450 /nfs/dbraw/zinc/76/34/50/626763450.db2.gz TYXJPFWAIPDOFP-FAAHXZRKSA-N 0 3 271.832 3.391 20 30 CGEDHN CCN(Cc1occc1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000839661621 626772245 /nfs/dbraw/zinc/77/22/45/626772245.db2.gz PJAKOTPIQXNITC-INIZCTEOSA-N 0 3 284.359 3.015 20 30 CGEDHN C=CCC[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000760844176 626995769 /nfs/dbraw/zinc/99/57/69/626995769.db2.gz JZJYUBBXYLCMJP-KRWDZBQOSA-N 0 3 289.419 3.464 20 30 CGEDHN C=CCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000760844176 626995770 /nfs/dbraw/zinc/99/57/70/626995770.db2.gz JZJYUBBXYLCMJP-KRWDZBQOSA-N 0 3 289.419 3.464 20 30 CGEDHN C#CCN(CC)Cc1ccc(C)c(Br)c1 ZINC000769111382 627523232 /nfs/dbraw/zinc/52/32/32/627523232.db2.gz NNTMBVXBTLFRAC-UHFFFAOYSA-N 0 3 266.182 3.213 20 30 CGEDHN C#CCN(Cc1cnc2c(C)cccn12)C1CCCCC1 ZINC000769145198 627526243 /nfs/dbraw/zinc/52/62/43/627526243.db2.gz DXBBRESQCIPGHW-UHFFFAOYSA-N 0 3 281.403 3.411 20 30 CGEDHN C=CCN(C[C@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000772383414 627788012 /nfs/dbraw/zinc/78/80/12/627788012.db2.gz WFPIMXGHEVTYNG-AWEZNQCLSA-N 0 3 251.757 3.024 20 30 CGEDHN C=CCCCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772695223 627816447 /nfs/dbraw/zinc/81/64/47/627816447.db2.gz YKOBIQNQZXKNBI-UHFFFAOYSA-N 0 3 291.391 3.391 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000773061512 627848350 /nfs/dbraw/zinc/84/83/50/627848350.db2.gz ZDVUDABAHFTTEZ-HNNXBMFYSA-N 0 3 299.418 3.424 20 30 CGEDHN C#C[C@@H](NC1CC(c2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC000775574464 628109593 /nfs/dbraw/zinc/10/95/93/628109593.db2.gz PJJQYCRVCJSFIY-OKEQZYBDSA-N 0 3 289.806 3.356 20 30 CGEDHN C[C@@H](N[C@H](CCO)c1cccs1)c1cccc(C#N)c1 ZINC000776165093 628173707 /nfs/dbraw/zinc/17/37/07/628173707.db2.gz XHLGPHHFBVYDDY-IUODEOHRSA-N 0 3 286.400 3.394 20 30 CGEDHN C[C@@H]1CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000776511149 628214937 /nfs/dbraw/zinc/21/49/37/628214937.db2.gz JUPMCJQXEQYONA-UTUOFQBUSA-N 0 3 268.316 3.440 20 30 CGEDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000781888749 628602460 /nfs/dbraw/zinc/60/24/60/628602460.db2.gz HWXJPSGOCGMEBW-CYBMUJFWSA-N 0 3 293.370 3.367 20 30 CGEDHN COc1ccc(N=NC2C[C@H](C)N(C3CC3)C2)cc1Cl ZINC000782230338 628627202 /nfs/dbraw/zinc/62/72/02/628627202.db2.gz MDKRAYSYBLPCMH-JTQLQIEISA-N 0 3 293.798 3.373 20 30 CGEDHN C=C(Br)CN1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000782502033 628650569 /nfs/dbraw/zinc/65/05/69/628650569.db2.gz DPCBZQQGKRIOLJ-MVWJERBFSA-N 0 3 258.203 3.406 20 30 CGEDHN CC(C)(C)CCNN=Cc1ccc(N2CCCC2)nc1 ZINC000782902678 628666415 /nfs/dbraw/zinc/66/64/15/628666415.db2.gz GZWZFCSAEFCAIE-UHFFFAOYSA-N 0 3 274.412 3.042 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(Br)c(F)c1 ZINC000787996965 629038062 /nfs/dbraw/zinc/03/80/62/629038062.db2.gz DEXQESRSPXPCOA-UHFFFAOYSA-N 0 3 284.172 3.432 20 30 CGEDHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(OCC#N)cc1 ZINC000791579828 629290255 /nfs/dbraw/zinc/29/02/55/629290255.db2.gz SUVFUNYXVDTIBE-SMDDNHRTSA-N 0 3 298.308 3.362 20 30 CGEDHN CCCCCCCCN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000791589885 629290993 /nfs/dbraw/zinc/29/09/93/629290993.db2.gz JKEHZHRXMCVYSG-CVEARBPZSA-N 0 3 269.429 3.227 20 30 CGEDHN C#CC[C@H]1CCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000862444929 629377593 /nfs/dbraw/zinc/37/75/93/629377593.db2.gz IZUKCKDHXHRGLB-LBPRGKRZSA-N 0 3 285.416 3.118 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2cccc([C@H](C)CC)c2)CC1 ZINC000862487025 629387396 /nfs/dbraw/zinc/38/73/96/629387396.db2.gz MONFKSYLEJTVSL-OAHLLOKOSA-N 0 3 298.430 3.484 20 30 CGEDHN CC(=NNCCCOCc1ccccc1)c1ccc(N)cc1 ZINC000863178414 629488999 /nfs/dbraw/zinc/48/89/99/629488999.db2.gz PTPOEPIRWIBSDO-UHFFFAOYSA-N 0 3 297.402 3.189 20 30 CGEDHN C=CCN1CCC(NC(=O)N2CCCCCCCC2)CC1 ZINC000836319348 634746696 /nfs/dbraw/zinc/74/66/96/634746696.db2.gz SVRCZMIQOJNWNL-UHFFFAOYSA-N 0 3 293.455 3.003 20 30 CGEDHN CCCCCCCCCN1CC[C@H](CS(C)(=O)=O)C1 ZINC000795088474 629630948 /nfs/dbraw/zinc/63/09/48/629630948.db2.gz VZBRGXAUZFZPOP-HNNXBMFYSA-N 0 3 289.485 3.104 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)C1CCCCC1 ZINC000796639683 629808732 /nfs/dbraw/zinc/80/87/32/629808732.db2.gz NEYUQWVRIRGGBK-GOSISDBHSA-N 0 3 271.404 3.063 20 30 CGEDHN C#CCN(CC[C@@H](O)c1ccccc1)Cc1ccccc1 ZINC000796640803 629808766 /nfs/dbraw/zinc/80/87/66/629808766.db2.gz IVJVNVZCCQUSIB-LJQANCHMSA-N 0 3 279.383 3.246 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC(C)(C)C2)c1 ZINC000796789626 629835064 /nfs/dbraw/zinc/83/50/64/629835064.db2.gz OHJQXLVCWGVWFN-CQSZACIVSA-N 0 3 284.359 3.079 20 30 CGEDHN C(=Nn1cnnc1)C(Cc1ccccc1)Cc1ccccc1 ZINC000799105206 630142935 /nfs/dbraw/zinc/14/29/35/630142935.db2.gz PCMNBYIDYWZMQB-UHFFFAOYSA-N 0 3 290.370 3.214 20 30 CGEDHN C[C@H](C#N)OCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000801932617 630369420 /nfs/dbraw/zinc/36/94/20/630369420.db2.gz RSEALOGHNTUWDK-KDOFPFPSSA-N 0 3 298.361 3.433 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccncc2CC)cc1 ZINC000809631073 630767569 /nfs/dbraw/zinc/76/75/69/630767569.db2.gz QQMMRRGOYBNXQK-CQSZACIVSA-N 0 3 264.372 3.476 20 30 CGEDHN C#C[C@H](C)NCc1ccc(OCCCC)c(OCC)c1 ZINC000809683827 630778882 /nfs/dbraw/zinc/77/88/82/630778882.db2.gz QXFPCHWOLAIPEJ-AWEZNQCLSA-N 0 3 275.392 3.376 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000809686179 630782085 /nfs/dbraw/zinc/78/20/85/630782085.db2.gz YFLFIMZBSHKMNY-HNNXBMFYSA-N 0 3 273.376 3.143 20 30 CGEDHN CCCN(CCC)c1ccc(C=NNC[C@@H](O)CC)cc1 ZINC000811656328 631100682 /nfs/dbraw/zinc/10/06/82/631100682.db2.gz JROTYHGZCSHSCI-KRWDZBQOSA-N 0 3 291.439 3.007 20 30 CGEDHN C#C[C@H](NCCCc1ccc(C)nc1)c1ccc(F)cc1 ZINC000812792231 631310723 /nfs/dbraw/zinc/31/07/23/631310723.db2.gz QHWQPPGCOJARNE-SFHVURJKSA-N 0 3 282.362 3.426 20 30 CGEDHN C#C[C@@H](N[C@@H](C)CC1(OC)CCC1)c1ccc(F)cc1 ZINC000812794731 631313034 /nfs/dbraw/zinc/31/30/34/631313034.db2.gz DCDOARIPIWGULU-XJKSGUPXSA-N 0 3 275.367 3.437 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900983 631331048 /nfs/dbraw/zinc/33/10/48/631331048.db2.gz YXCWNGRYMVUBAI-GJZGRUSLSA-N 0 3 299.418 3.059 20 30 CGEDHN C[C@H]1CN(Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000816648198 632034275 /nfs/dbraw/zinc/03/42/75/632034275.db2.gz GLKKQXIJAZFNDB-KBPBESRZSA-N 0 3 258.365 3.209 20 30 CGEDHN CCCCc1ccc(N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000818153016 632291315 /nfs/dbraw/zinc/29/13/15/632291315.db2.gz HKQHHYSLDLFQAJ-MRXNPFEDSA-N 0 3 287.407 3.013 20 30 CGEDHN C#Cc1cccc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000866370403 633107479 /nfs/dbraw/zinc/10/74/79/633107479.db2.gz VXFAYQOKYBXVRC-GOSISDBHSA-N 0 3 262.356 3.230 20 30 CGEDHN C=CC[C@H](NCc1ccncc1C)c1ccncc1 ZINC000823888185 633165153 /nfs/dbraw/zinc/16/51/53/633165153.db2.gz WRSGJIWEDGWPKI-INIZCTEOSA-N 0 3 253.349 3.192 20 30 CGEDHN C=CC[C@@H](NCc1ccncc1C)c1ccncc1 ZINC000823888191 633165191 /nfs/dbraw/zinc/16/51/91/633165191.db2.gz WRSGJIWEDGWPKI-MRXNPFEDSA-N 0 3 253.349 3.192 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCc3cccc([O-])c31)C2 ZINC000866616734 633216426 /nfs/dbraw/zinc/21/64/26/633216426.db2.gz UFUJYEONLCSSPO-DLBZAZTESA-N 0 3 290.366 3.008 20 30 CGEDHN C[C@@H](NCC[C@H](O)C1CCCC1)c1ccc(C#N)cc1F ZINC000866637521 633225701 /nfs/dbraw/zinc/22/57/01/633225701.db2.gz ICIDACYGHOCKLI-PXAZEXFGSA-N 0 3 290.382 3.289 20 30 CGEDHN C=CCC1(CNCc2ncc(Cl)n2C)CCCC1 ZINC000825079226 633325939 /nfs/dbraw/zinc/32/59/39/633325939.db2.gz OKIAXCZAZVLAPX-UHFFFAOYSA-N 0 3 267.804 3.300 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(OCC)c(OC)c2)c1 ZINC000825225945 633337176 /nfs/dbraw/zinc/33/71/76/633337176.db2.gz BUCUCPOMQLMCHG-UHFFFAOYSA-N 0 3 295.382 3.365 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(-c2scnc2C)cc1 ZINC000825878958 633385577 /nfs/dbraw/zinc/38/55/77/633385577.db2.gz XOXAVFFDLOXCSO-LLVKDONJSA-N 0 3 256.374 3.230 20 30 CGEDHN C#C[C@H](NCc1ccc(C(=O)OC)c(Cl)c1)C(C)(C)C ZINC000825940281 633389400 /nfs/dbraw/zinc/38/94/00/633389400.db2.gz RPTAUYSKXJJQQF-AWEZNQCLSA-N 0 3 293.794 3.264 20 30 CGEDHN N#CC(C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccccn1 ZINC000870136501 633535173 /nfs/dbraw/zinc/53/51/73/633535173.db2.gz OMWSSAJFSAYPOD-IXXDHKBRSA-N 0 3 296.370 3.043 20 30 CGEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000829773129 633781107 /nfs/dbraw/zinc/78/11/07/633781107.db2.gz BANFWEZTVOGGAG-CVEARBPZSA-N 0 3 284.403 3.057 20 30 CGEDHN C#CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000830305379 633848673 /nfs/dbraw/zinc/84/86/73/633848673.db2.gz MQILOZDTAVYQRM-UHFFFAOYSA-N 0 3 266.344 3.187 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871885197 633911498 /nfs/dbraw/zinc/91/14/98/633911498.db2.gz RYUQVBQPUQJSJB-INIZCTEOSA-N 0 3 299.418 3.020 20 30 CGEDHN C[C@H](NCCCCC#N)c1nc(Br)cs1 ZINC000834566094 634183990 /nfs/dbraw/zinc/18/39/90/634183990.db2.gz BULQCARCYWNUDQ-QMMMGPOBSA-N 0 3 288.214 3.250 20 30 CGEDHN Clc1ccc([C@H]2CCC(=Nn3cnnc3)C2)cc1 ZINC000834913286 634285115 /nfs/dbraw/zinc/28/51/15/634285115.db2.gz WONGXOQEXRYZSF-NSHDSACASA-N 0 3 260.728 3.103 20 30 CGEDHN Clc1ccc([C@@H]2CCC(=Nn3cnnc3)C2)cc1 ZINC000834913283 634285653 /nfs/dbraw/zinc/28/56/53/634285653.db2.gz WONGXOQEXRYZSF-LLVKDONJSA-N 0 3 260.728 3.103 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000876545311 634853618 /nfs/dbraw/zinc/85/36/18/634853618.db2.gz DEKIGSGDPBWHLH-JTQLQIEISA-N 0 3 292.688 3.114 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000876872618 634917801 /nfs/dbraw/zinc/91/78/01/634917801.db2.gz IHLDZQDZGPVPKQ-LLVKDONJSA-N 0 3 296.798 3.098 20 30 CGEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCc3ccccc3C2)c1 ZINC000876894061 634922606 /nfs/dbraw/zinc/92/26/06/634922606.db2.gz OQQFADSQFRIZOH-INIZCTEOSA-N 0 3 297.789 3.254 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000876954044 634936125 /nfs/dbraw/zinc/93/61/25/634936125.db2.gz BMTCFRIDRMOLNI-ZIAGYGMSSA-N 0 3 284.831 3.028 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC000877053203 634964341 /nfs/dbraw/zinc/96/43/41/634964341.db2.gz GKBARDXMLQXYSN-LSDHHAIUSA-N 0 3 294.826 3.278 20 30 CGEDHN CCCC(O)(CCC)CNCc1cc(C#N)cnc1Cl ZINC000877054613 634964991 /nfs/dbraw/zinc/96/49/91/634964991.db2.gz GEYZXZUSZVMULV-UHFFFAOYSA-N 0 3 295.814 3.028 20 30 CGEDHN CC(C)C1(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877075460 634973917 /nfs/dbraw/zinc/97/39/17/634973917.db2.gz CYXUTBZLEBZSRD-UHFFFAOYSA-N 0 3 263.772 3.132 20 30 CGEDHN CCO[C@@H](CCNCc1cc(C#N)cnc1Cl)C(C)C ZINC000877083615 634978010 /nfs/dbraw/zinc/97/80/10/634978010.db2.gz OCKRIRPRXZGKMQ-AWEZNQCLSA-N 0 3 295.814 3.147 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC000877261450 635018352 /nfs/dbraw/zinc/01/83/52/635018352.db2.gz NGMLNGSALNZRPO-GFCCVEGCSA-N 0 3 282.746 3.112 20 30 CGEDHN C#C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000877544424 635081504 /nfs/dbraw/zinc/08/15/04/635081504.db2.gz PKYXHALJLQFAKM-GJZGRUSLSA-N 0 3 261.340 3.047 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000840961818 635094131 /nfs/dbraw/zinc/09/41/31/635094131.db2.gz FFXQVBRXHBMMNH-DAXOMENPSA-N 0 3 276.355 3.348 20 30 CGEDHN C#CCCCCCNC(C)(C)c1nc(C)cs1 ZINC000878248781 635431450 /nfs/dbraw/zinc/43/14/50/635431450.db2.gz DBRSALQRVITOMH-UHFFFAOYSA-N 0 3 250.411 3.470 20 30 CGEDHN C#CCCCCCN[C@H](C)c1c(F)cncc1F ZINC000878613273 635569297 /nfs/dbraw/zinc/56/92/97/635569297.db2.gz JRUVSFAEEKSDRH-LLVKDONJSA-N 0 3 252.308 3.204 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(F)(F)F)co1 ZINC000878680558 635603117 /nfs/dbraw/zinc/60/31/17/635603117.db2.gz PTVCLKLFXFXJHB-NEPJUHHUSA-N 0 3 275.270 3.122 20 30 CGEDHN C#CC[C@@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000843424453 635668817 /nfs/dbraw/zinc/66/88/17/635668817.db2.gz UPZMAANANHDWJB-CQSZACIVSA-N 0 3 273.376 3.026 20 30 CGEDHN C#CC[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000843424453 635668818 /nfs/dbraw/zinc/66/88/18/635668818.db2.gz UPZMAANANHDWJB-CQSZACIVSA-N 0 3 273.376 3.026 20 30 CGEDHN CC[C@@H](N[C@@H](C)CCC#N)c1cccc(OC)c1OC ZINC000879465052 635792443 /nfs/dbraw/zinc/79/24/43/635792443.db2.gz ASWSQEGGXBCTLS-GXTWGEPZSA-N 0 3 276.380 3.437 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000879927481 635883732 /nfs/dbraw/zinc/88/37/32/635883732.db2.gz XPQWSINADHRRRL-ZIAGYGMSSA-N 0 3 292.423 3.427 20 30 CGEDHN C[C@H](C#N)OCCN1CCCC[C@@H]1Cc1ccccc1F ZINC000844413132 635893620 /nfs/dbraw/zinc/89/36/20/635893620.db2.gz FQBGSRYTCUYGRN-GDBMZVCRSA-N 0 3 290.382 3.151 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844439460 635901843 /nfs/dbraw/zinc/90/18/43/635901843.db2.gz IBMYFQMAIXMBBT-OAHLLOKOSA-N 0 3 292.329 3.188 20 30 CGEDHN C=CCCC[C@H](NCC(=O)NCC(F)F)c1ccccc1 ZINC000880389608 635992176 /nfs/dbraw/zinc/99/21/76/635992176.db2.gz JIPROPDCWKUCGW-AWEZNQCLSA-N 0 3 296.361 3.055 20 30 CGEDHN Cc1ccc(N=NC2CCCN3CCCC[C@H]23)cc1 ZINC000848398781 636566492 /nfs/dbraw/zinc/56/64/92/636566492.db2.gz FFUHSVQMRIOZDL-MRXNPFEDSA-N 0 3 257.381 3.411 20 30 CGEDHN COc1cccc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848401781 636567314 /nfs/dbraw/zinc/56/73/14/636567314.db2.gz IZBVMQQRTONFMG-MRXNPFEDSA-N 0 3 273.380 3.111 20 30 CGEDHN Fc1cc(F)cc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848403201 636567791 /nfs/dbraw/zinc/56/77/91/636567791.db2.gz OSMHHRAWOQDYNW-HNNXBMFYSA-N 0 3 279.334 3.381 20 30 CGEDHN C=CCC[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000883187618 636572152 /nfs/dbraw/zinc/57/21/52/636572152.db2.gz RTLFTAXWFGVXFR-SJORKVTESA-N 0 3 288.366 3.301 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OCC=C)c(OC)c2)C1 ZINC000848923729 636695242 /nfs/dbraw/zinc/69/52/42/636695242.db2.gz PJUDZNSDSLQSGM-OAHLLOKOSA-N 0 3 285.387 3.105 20 30 CGEDHN C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(C#N)cc1 ZINC000849323203 636809647 /nfs/dbraw/zinc/80/96/47/636809647.db2.gz JSWYXSMBGNUJQA-GLQYFDAESA-N 0 3 292.329 3.023 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc2cnccc2o1 ZINC000850462310 637075614 /nfs/dbraw/zinc/07/56/14/637075614.db2.gz OGJPHSACTTWEBY-GVXVVHGQSA-N 0 3 255.321 3.171 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@@H]3SCCS[C@H]23)CCCCC1 ZINC000850550208 637117532 /nfs/dbraw/zinc/11/75/32/637117532.db2.gz NMXSSTXSWOQHEL-HZSPNIEDSA-N 0 3 296.505 3.430 20 30 CGEDHN CCCCCCCCCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851649429 637466457 /nfs/dbraw/zinc/46/64/57/637466457.db2.gz YQIJRDISQXLIOC-ZIAGYGMSSA-N 0 3 272.408 3.025 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCC3)CO2)c(F)c1 ZINC000886318512 637498170 /nfs/dbraw/zinc/49/81/70/637498170.db2.gz VLTFFFVBGIBXLO-HNNXBMFYSA-N 0 3 288.366 3.136 20 30 CGEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000886355714 637510979 /nfs/dbraw/zinc/51/09/79/637510979.db2.gz MPQHXXMUOSWZSM-CVEARBPZSA-N 0 3 298.430 3.482 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000886357934 637513321 /nfs/dbraw/zinc/51/33/21/637513321.db2.gz NGMVYPBUOSSXDE-OAHLLOKOSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CCN(C(=O)C[C@@H](C)CCCCC)C1CCN(C)CC1 ZINC000886581222 637590383 /nfs/dbraw/zinc/59/03/83/637590383.db2.gz OFGGKKWCTSPXNY-INIZCTEOSA-N 0 3 292.467 3.149 20 30 CGEDHN N#CC[C@H]1CCCN(CCOC2CCCCCC2)C1 ZINC000852319086 637633312 /nfs/dbraw/zinc/63/33/12/637633312.db2.gz GUDZHROTTBKSEA-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN CC(C)[C@H](NCCO[C@H](C)C#N)c1ccccc1F ZINC000852445659 637652983 /nfs/dbraw/zinc/65/29/83/637652983.db2.gz ARIAXMSXWYQWJS-DOMZBBRYSA-N 0 3 264.344 3.041 20 30 CGEDHN C=CCC1(O)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000886776762 637684680 /nfs/dbraw/zinc/68/46/80/637684680.db2.gz ONPYJIOZUNVZMH-CQSZACIVSA-N 0 3 270.376 3.022 20 30 CGEDHN C#CCC1(NCc2cc(F)ccc2Cl)CCOCC1 ZINC000887122178 637752646 /nfs/dbraw/zinc/75/26/46/637752646.db2.gz NMPDZSUFDQFTBT-UHFFFAOYSA-N 0 3 281.758 3.141 20 30 CGEDHN CC[C@H]([NH2+]CCCN(CC)CC)c1cccc(C#N)c1[O-] ZINC000924528944 638351192 /nfs/dbraw/zinc/35/11/92/638351192.db2.gz RXIIXZOBSGZYAT-INIZCTEOSA-N 0 3 289.423 3.036 20 30 CGEDHN N#CCC[C@H](N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000857857104 638582186 /nfs/dbraw/zinc/58/21/86/638582186.db2.gz AAKAZNHXDKYNOG-JKSUJKDBSA-N 0 3 280.375 3.422 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2cccnc2C)cc1 ZINC000858517545 638753586 /nfs/dbraw/zinc/75/35/86/638753586.db2.gz BGCDQIMCSNBRRC-AWEZNQCLSA-N 0 3 280.371 3.253 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cc(-c2ccccc2)no1 ZINC000926863843 638818969 /nfs/dbraw/zinc/81/89/69/638818969.db2.gz MJZFMQGOXJDJLD-HIFRSBDPSA-N 0 3 286.375 3.319 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)CC(C)(C)O1 ZINC000929348107 638920265 /nfs/dbraw/zinc/92/02/65/638920265.db2.gz NUPVOYGGXBSGAJ-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN CC(C)C[C@@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000929830762 638955269 /nfs/dbraw/zinc/95/52/69/638955269.db2.gz AOEKIFHUGNCHCS-AWEZNQCLSA-N 0 3 257.381 3.211 20 30 CGEDHN CN(Cc1cc(Cl)cc(C#N)c1)[C@H]1CCSC1 ZINC000930094710 638974178 /nfs/dbraw/zinc/97/41/78/638974178.db2.gz TUPYUCVHIXNDJY-ZDUSSCGKSA-N 0 3 266.797 3.149 20 30 CGEDHN Cc1ccccc1C(C)(C)NCc1cncc(C#N)c1 ZINC000930577488 639030900 /nfs/dbraw/zinc/03/09/00/639030900.db2.gz AIADLRZRMUQURZ-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN C[C@@H]1CN(Cc2cncc(C#N)c2)CCc2ccccc21 ZINC000930856192 639077576 /nfs/dbraw/zinc/07/75/76/639077576.db2.gz DFLNGSJRHYFHGV-CQSZACIVSA-N 0 3 277.371 3.115 20 30 CGEDHN CC1(C)CCC(C)(C)N(Cc2cncc(C#N)c2)C1 ZINC000931165909 639120282 /nfs/dbraw/zinc/12/02/82/639120282.db2.gz SNFUQNJZBJZWEH-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CC[C@H]1CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000859445178 639143164 /nfs/dbraw/zinc/14/31/64/639143164.db2.gz LEVOYRNKHSEHBP-AWEZNQCLSA-N 0 3 267.376 3.336 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)CCC1 ZINC000933304244 639436798 /nfs/dbraw/zinc/43/67/98/639436798.db2.gz JFNUMRQEWURUJJ-HNNXBMFYSA-N 0 3 284.403 3.166 20 30 CGEDHN N#Cc1ccccc1CN1CCCSC[C@H]1C1CC1 ZINC000933917891 639507730 /nfs/dbraw/zinc/50/77/30/639507730.db2.gz NYZVRHBZZUUIMN-INIZCTEOSA-N 0 3 272.417 3.276 20 30 CGEDHN C=CC[C@@H]1CCN1C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000934463181 639612303 /nfs/dbraw/zinc/61/23/03/639612303.db2.gz UOTOZCZMDLIJMB-IJLUTSLNSA-N 0 3 263.303 3.137 20 30 CGEDHN C#C[C@H]1CCCCN1CCCc1nc(-c2ccccc2)no1 ZINC000934510214 639622564 /nfs/dbraw/zinc/62/25/64/639622564.db2.gz VHCKBNKTXSLOLN-INIZCTEOSA-N 0 3 295.386 3.157 20 30 CGEDHN N#CC(C(=O)CCc1cccc(F)c1F)c1ccccn1 ZINC000159749650 640066948 /nfs/dbraw/zinc/06/69/48/640066948.db2.gz IYRJAXXWOUODKT-LBPRGKRZSA-N 0 3 286.281 3.169 20 30 CGEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193401004 640455394 /nfs/dbraw/zinc/45/53/94/640455394.db2.gz LRASFLLUDAXVPQ-BXKDBHETSA-N 0 3 278.739 3.033 20 30 CGEDHN CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccc([O-])c(F)c1 ZINC000304758254 640868950 /nfs/dbraw/zinc/86/89/50/640868950.db2.gz PTPBNPUPKLIBDA-GFCCVEGCSA-N 0 3 295.402 3.150 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001007395765 640942422 /nfs/dbraw/zinc/94/24/22/640942422.db2.gz JHMROPNHAOHFAA-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001008765003 640954346 /nfs/dbraw/zinc/95/43/46/640954346.db2.gz DSCYLGJDNLLOKV-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001009448204 640959166 /nfs/dbraw/zinc/95/91/66/640959166.db2.gz KFKPASPJZOOWHJ-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001014646025 640975841 /nfs/dbraw/zinc/97/58/41/640975841.db2.gz AJELYBMAPGRBBV-HNNXBMFYSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015674248 640984612 /nfs/dbraw/zinc/98/46/12/640984612.db2.gz XGFJHIRIGALNQB-MRXNPFEDSA-N 0 3 288.435 3.034 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@H]1C ZINC001017576829 641013776 /nfs/dbraw/zinc/01/37/76/641013776.db2.gz DUQHFZLZFAAMEG-VQHPVUNQSA-N 0 3 290.451 3.064 20 30 CGEDHN CC(C)c1ccc(C#N)c(N2CCN(C3CCCC3)CC2)n1 ZINC001165030247 721853309 /nfs/dbraw/zinc/85/33/09/721853309.db2.gz SLFXUWHZLQBBHE-UHFFFAOYSA-N 0 3 298.434 3.141 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(C(C)C)cc1 ZINC001250757584 805772585 /nfs/dbraw/zinc/77/25/85/805772585.db2.gz FWLYLUILEQILSM-KRWDZBQOSA-N 0 3 289.419 3.224 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC001157450684 805814051 /nfs/dbraw/zinc/81/40/51/805814051.db2.gz GJJOORFHWONDSF-ZNMIVQPWSA-N 0 3 266.429 3.240 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cnn(CCF)c1 ZINC001252140000 806025290 /nfs/dbraw/zinc/02/52/90/806025290.db2.gz WPQBUULTSVLXMH-MRXNPFEDSA-N 0 3 299.434 3.054 20 30 CGEDHN C=CCC[C@H](O)CNc1ccncc1Oc1ccccc1 ZINC001252590097 806078735 /nfs/dbraw/zinc/07/87/35/806078735.db2.gz YMVFWUDWVDQQHH-AWEZNQCLSA-N 0 3 284.359 3.035 20 30 CGEDHN C=CCC[C@H](O)CNCc1c(F)cccc1C(F)(F)F ZINC001252616622 806090665 /nfs/dbraw/zinc/09/06/65/806090665.db2.gz RMZFZTLTUSPOEH-JTQLQIEISA-N 0 3 291.288 3.261 20 30 CGEDHN NCc1cnccc1Nc1ccccc1C#Cc1ccccc1 ZINC001159793255 806175014 /nfs/dbraw/zinc/17/50/14/806175014.db2.gz QHMVMETUOYXACQ-UHFFFAOYSA-N 0 3 299.377 3.106 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001253234848 806189079 /nfs/dbraw/zinc/18/90/79/806189079.db2.gz GDKUDPFQDZGWNB-VGWMRTNUSA-N 0 3 269.404 3.164 20 30 CGEDHN C=CCCCCCC[C@H](O)CN(C)Cc1c(C)n[nH]c1C ZINC001253238030 806188893 /nfs/dbraw/zinc/18/88/93/806188893.db2.gz ALPNIJGERGDJBV-INIZCTEOSA-N 0 3 293.455 3.346 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H]2C=CCCC2)CC1 ZINC001160466097 806275493 /nfs/dbraw/zinc/27/54/93/806275493.db2.gz AUGLVVNGTPLFCT-KRWDZBQOSA-N 0 3 288.435 3.057 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001160689817 806295441 /nfs/dbraw/zinc/29/54/41/806295441.db2.gz SOORHTFETZNMTR-IAGOWNOFSA-N 0 3 286.419 3.294 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cc(OCC)cc(Cl)n1 ZINC001160952802 806325592 /nfs/dbraw/zinc/32/55/92/806325592.db2.gz BNGFRZHHXGFHRK-LBPRGKRZSA-N 0 3 295.814 3.196 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C(C)(C)C(C)(C)C)CC1 ZINC001160928087 806322874 /nfs/dbraw/zinc/32/28/74/806322874.db2.gz YIIWESWGHTUJRT-UHFFFAOYSA-N 0 3 292.467 3.383 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)ccc1C ZINC001160951869 806325857 /nfs/dbraw/zinc/32/58/57/806325857.db2.gz MZRLEGWDQQANMK-LBPRGKRZSA-N 0 3 265.788 3.106 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](CC)CCC)CC1 ZINC001161579253 806395212 /nfs/dbraw/zinc/39/52/12/806395212.db2.gz PKYZECVTNLSIRJ-INIZCTEOSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2(CC)CCCC2)CC1 ZINC001161611208 806399231 /nfs/dbraw/zinc/39/92/31/806399231.db2.gz QCBOVLQGZRLLCW-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN N#Cc1cnc(CNC2CCc3ccccc3CC2)s1 ZINC001254454661 806406957 /nfs/dbraw/zinc/40/69/57/806406957.db2.gz FPNOYTIHSZCVCO-UHFFFAOYSA-N 0 3 283.400 3.052 20 30 CGEDHN C#CCN(CC#C)[C@H](CCC)CCc1ccccc1 ZINC001254497963 806419202 /nfs/dbraw/zinc/41/92/02/806419202.db2.gz GEEKULYBAGSXMT-GOSISDBHSA-N 0 3 253.389 3.356 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(F)c(Br)c2)C1 ZINC001254636748 806467074 /nfs/dbraw/zinc/46/70/74/806467074.db2.gz ZWFCUFKJMJOOGJ-KOLCDFICSA-N 0 3 297.171 3.370 20 30 CGEDHN COc1ccccc1C1(N[C@H]2CC[C@H](C#N)C2)CCC1 ZINC001254648586 806472624 /nfs/dbraw/zinc/47/26/24/806472624.db2.gz IZBBCSFOPCWSPL-KBPBESRZSA-N 0 3 270.376 3.356 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(Cl)cn2)C2CC2)C1 ZINC001254654890 806476748 /nfs/dbraw/zinc/47/67/48/806476748.db2.gz BGCWAFFANOGTBR-RIEGTJTDSA-N 0 3 275.783 3.468 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](Sc3ccncc3)C2)C1 ZINC001254669909 806479291 /nfs/dbraw/zinc/47/92/91/806479291.db2.gz WUVPRNHTBBGAHK-FMKPAKJESA-N 0 3 287.432 3.330 20 30 CGEDHN CC[C@H](CC#N)NCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001255154206 806554698 /nfs/dbraw/zinc/55/46/98/806554698.db2.gz FHLIPAUYPAAMFX-ZIAGYGMSSA-N 0 3 295.427 3.058 20 30 CGEDHN CC[C@@H](CC#N)NCC1(c2ccccc2)CCOCC1 ZINC001255161894 806559380 /nfs/dbraw/zinc/55/93/80/806559380.db2.gz BZWYGYKZKDDIEO-INIZCTEOSA-N 0 3 272.392 3.017 20 30 CGEDHN CC[C@H](CC#N)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC001255162484 806562021 /nfs/dbraw/zinc/56/20/21/806562021.db2.gz RCDWNXKUZKETBW-MRXNPFEDSA-N 0 3 290.382 3.199 20 30 CGEDHN N#CC1(CNc2ccnc(N3CCCCC3)c2)CCC1 ZINC001162412669 806581546 /nfs/dbraw/zinc/58/15/46/806581546.db2.gz WJFBCEYTVZOQOO-UHFFFAOYSA-N 0 3 270.380 3.178 20 30 CGEDHN C[C@H](c1ccccc1)N(C1=CC(=O)CCC1)[C@H]1CCN(C)C1 ZINC001255443566 806639527 /nfs/dbraw/zinc/63/95/27/806639527.db2.gz PUQLJEWQZHNIOT-QAPCUYQASA-N 0 3 298.430 3.391 20 30 CGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)C1CCC1 ZINC000128673526 799019479 /nfs/dbraw/zinc/01/94/79/799019479.db2.gz WEJJIVCERROWLQ-HNNXBMFYSA-N 0 3 292.338 3.287 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 ZINC000128574086 799020255 /nfs/dbraw/zinc/02/02/55/799020255.db2.gz ZGYWEOBCCJFYSE-HNNXBMFYSA-N 0 3 284.359 3.087 20 30 CGEDHN N#CC1CCN([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255712154 806714979 /nfs/dbraw/zinc/71/49/79/806714979.db2.gz ZHJFWRAAINNJIO-NWDGAFQWSA-N 0 3 260.303 3.343 20 30 CGEDHN C#C[C@H](NCc1ccc(OCC=C)cc1)C(C)(C)C ZINC000702282896 799906357 /nfs/dbraw/zinc/90/63/57/799906357.db2.gz XGCMPJBELYMGOI-INIZCTEOSA-N 0 3 257.377 3.389 20 30 CGEDHN N=C(Nc1cccc(O)c1)c1ccc(C(F)(F)F)cc1 ZINC001163685891 806799522 /nfs/dbraw/zinc/79/95/22/806799522.db2.gz UGHNVVCHRJYLGZ-UHFFFAOYSA-N 0 3 280.249 3.448 20 30 CGEDHN CSCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000719303522 800235764 /nfs/dbraw/zinc/23/57/64/800235764.db2.gz RMFLARWVIJSJRC-UHFFFAOYSA-N 0 3 260.406 3.133 20 30 CGEDHN COc1cc(CN2CCC(CSC)CC2)ccc1C#N ZINC000719303104 800235877 /nfs/dbraw/zinc/23/58/77/800235877.db2.gz PTLKTCYDPXUDRI-UHFFFAOYSA-N 0 3 290.432 3.142 20 30 CGEDHN C=CC(C)(C)CCNCc1csc(-c2ccn(C)n2)n1 ZINC000922282553 800617256 /nfs/dbraw/zinc/61/72/56/800617256.db2.gz JBKAEKNRDXFVRO-UHFFFAOYSA-N 0 3 290.436 3.236 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000932387679 800664485 /nfs/dbraw/zinc/66/44/85/800664485.db2.gz IGCFJKLGYBHJAI-CQSZACIVSA-N 0 3 285.309 3.082 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(O)(C2CCC2)CC1 ZINC000932817064 800669433 /nfs/dbraw/zinc/66/94/33/800669433.db2.gz CNAUBLYDLFBDFC-AWEZNQCLSA-N 0 3 284.403 3.246 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001023173682 800706956 /nfs/dbraw/zinc/70/69/56/800706956.db2.gz PMRUOXVVRFMOSR-TXEJJXNPSA-N 0 3 298.858 3.048 20 30 CGEDHN C=CCCN1CCC[C@H]1CNC(=O)c1sccc1Cl ZINC001027900357 800826389 /nfs/dbraw/zinc/82/63/89/800826389.db2.gz FCAXBRHPGMAKEH-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001028276566 800838936 /nfs/dbraw/zinc/83/89/36/800838936.db2.gz KRNNNHKKZPLDOB-ZDUSSCGKSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001029419611 800868211 /nfs/dbraw/zinc/86/82/11/800868211.db2.gz HOXHYWUFHZIICY-SOUVJXGZSA-N 0 3 296.430 3.012 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001033710845 800977595 /nfs/dbraw/zinc/97/75/95/800977595.db2.gz KEGAYUUHDCMSFU-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033750487 800981761 /nfs/dbraw/zinc/98/17/61/800981761.db2.gz SFLZYXTXFXEKFW-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001034092686 801004803 /nfs/dbraw/zinc/00/48/03/801004803.db2.gz RULNESZNXJBSCL-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001034263724 801015221 /nfs/dbraw/zinc/01/52/21/801015221.db2.gz BLQQYFZBUALSBQ-DLBZAZTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001034531375 801031178 /nfs/dbraw/zinc/03/11/78/801031178.db2.gz GYVOCHRIPCGRHO-PQUAAJSLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)C(C)C)CC2 ZINC001035713246 801059934 /nfs/dbraw/zinc/05/99/34/801059934.db2.gz ZFIDVBROIBHPPI-UHFFFAOYSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1coc2c1cccc2C ZINC001038345387 801124339 /nfs/dbraw/zinc/12/43/39/801124339.db2.gz AGJAMDQVWFBQSC-CQSZACIVSA-N 0 3 298.386 3.121 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001038737349 801132356 /nfs/dbraw/zinc/13/23/56/801132356.db2.gz YZCHLZGRIGELPK-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001039327014 801158176 /nfs/dbraw/zinc/15/81/76/801158176.db2.gz VGLLHZRSZIRDND-SJORKVTESA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2csc(C)c2C)C1 ZINC001046344086 801309438 /nfs/dbraw/zinc/30/94/38/801309438.db2.gz HUOLHTPXRCFZQJ-MRXNPFEDSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049849265 801388070 /nfs/dbraw/zinc/38/80/70/801388070.db2.gz RTUKKKSPCSGMNL-JQHSSLGASA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)cs2)CC[C@H]1C ZINC001071476380 801539533 /nfs/dbraw/zinc/53/95/33/801539533.db2.gz FZUYRXMXXFMNSI-KGLIPLIRSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076498974 801619782 /nfs/dbraw/zinc/61/97/82/801619782.db2.gz PKXGIXRNJCJRCY-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001081018740 801658833 /nfs/dbraw/zinc/65/88/33/801658833.db2.gz LNMQKORTDLEJJJ-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1sccc1C ZINC001085460002 801687179 /nfs/dbraw/zinc/68/71/79/801687179.db2.gz VTJVGVWSELSPTD-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085488165 801692030 /nfs/dbraw/zinc/69/20/30/801692030.db2.gz STEWJQKUIAWBGM-GFCCVEGCSA-N 0 3 296.798 3.046 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085807320 801707643 /nfs/dbraw/zinc/70/76/43/801707643.db2.gz DSINDPBMTXJIKF-JFIYKMOQSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1CC ZINC001087783922 801766614 /nfs/dbraw/zinc/76/66/14/801766614.db2.gz BIIXBNLUNCHPNE-LSDHHAIUSA-N 0 3 296.430 3.204 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC001089018353 801817321 /nfs/dbraw/zinc/81/73/21/801817321.db2.gz DLUGYJHOUSYTLN-WBVHZDCISA-N 0 3 286.419 3.072 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089084082 801820669 /nfs/dbraw/zinc/82/06/69/801820669.db2.gz QXVZZMMQQUJFOU-PMPSAXMXSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1CCCC1 ZINC001098874121 801918858 /nfs/dbraw/zinc/91/88/58/801918858.db2.gz VZDUIYZAGGZICL-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001098977067 801924152 /nfs/dbraw/zinc/92/41/52/801924152.db2.gz ZYAFGYHPJXHKPQ-FEAKQIBJSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC001098977068 801925042 /nfs/dbraw/zinc/92/50/42/801925042.db2.gz ZYAFGYHPJXHKPQ-FJVVXJACSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001099121680 801927899 /nfs/dbraw/zinc/92/78/99/801927899.db2.gz MXDJHFPFVASCON-LSDHHAIUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C=C)CC ZINC001099188427 801932997 /nfs/dbraw/zinc/93/29/97/801932997.db2.gz FZAPAVVFQWQKHJ-CVEARBPZSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@](C)(C=C)CC ZINC001099213333 801934890 /nfs/dbraw/zinc/93/48/90/801934890.db2.gz CEGXEXSZZSUNBK-CRAIPNDOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C ZINC001099316024 801936940 /nfs/dbraw/zinc/93/69/40/801936940.db2.gz KIBNJXGNCFFZHF-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)=C2CCC2)CC1 ZINC001164476834 806951377 /nfs/dbraw/zinc/95/13/77/806951377.db2.gz YELVNTOVANMMIK-UHFFFAOYSA-N 0 3 296.842 3.115 20 30 CGEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104606889 802052087 /nfs/dbraw/zinc/05/20/87/802052087.db2.gz GIIDZUUURNBIHU-UKRRQHHQSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001113245834 802209799 /nfs/dbraw/zinc/20/97/99/802209799.db2.gz AABIEPSSNXQPGP-CVEARBPZSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cccc3c2OC(C)(C)C3)C1 ZINC001116554790 802377856 /nfs/dbraw/zinc/37/78/56/802377856.db2.gz FKQPXDUJGWRXNT-INIZCTEOSA-N 0 3 287.403 3.177 20 30 CGEDHN Cc1ccc(NC(=O)c2csc(C#N)c2)c(CN(C)C)c1 ZINC001117794222 802497270 /nfs/dbraw/zinc/49/72/70/802497270.db2.gz MGUBCQCIUYCZGP-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CC=CCC1)C(=O)Nc1ccccc1 ZINC001122540500 802874888 /nfs/dbraw/zinc/87/48/88/802874888.db2.gz DXFDEMVKRPRJDY-HIFRSBDPSA-N 0 3 282.343 3.080 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC001123237005 802920138 /nfs/dbraw/zinc/92/01/38/802920138.db2.gz MAGXRZPTUIJOLE-DOMZBBRYSA-N 0 3 299.349 3.097 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001123336531 802930337 /nfs/dbraw/zinc/93/03/37/802930337.db2.gz IGELDMQWBJPLMQ-WFASDCNBSA-N 0 3 299.349 3.097 20 30 CGEDHN N#C[C@@H]1CC=C(c2cc(N3CCCC3)ccn2)CC1 ZINC001243790268 803008561 /nfs/dbraw/zinc/00/85/61/803008561.db2.gz PWSUALPPXWPBCP-CYBMUJFWSA-N 0 3 253.349 3.389 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131989162 803364780 /nfs/dbraw/zinc/36/47/80/803364780.db2.gz UPUBAONNEDWLPH-GOEBONIOSA-N 0 3 278.440 3.278 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132223480 803381070 /nfs/dbraw/zinc/38/10/70/803381070.db2.gz DXIMEGXNRRCIKE-CVEARBPZSA-N 0 3 278.440 3.278 20 30 CGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132223568 803381584 /nfs/dbraw/zinc/38/15/84/803381584.db2.gz FCUGIPHRSLPETH-DJYJQHBUSA-N 0 3 276.424 3.054 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132223483 803381702 /nfs/dbraw/zinc/38/17/02/803381702.db2.gz DXIMEGXNRRCIKE-JKSUJKDBSA-N 0 3 278.440 3.278 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132223481 803381955 /nfs/dbraw/zinc/38/19/55/803381955.db2.gz DXIMEGXNRRCIKE-HOTGVXAUSA-N 0 3 278.440 3.278 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(Cl)c(F)c3)CCC2S1 ZINC001137650828 803750010 /nfs/dbraw/zinc/75/00/10/803750010.db2.gz PECYKSYMXSVVJO-CYBMUJFWSA-N 0 3 297.782 3.253 20 30 CGEDHN COc1ccc(C)cc1CN1CCC[C@H](C#N)CC1 ZINC001138488090 803949008 /nfs/dbraw/zinc/94/90/08/803949008.db2.gz UJWYRDNCXWQSDP-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN C#CCOc1ccc(CN2CCCC[C@](C)(F)C2)cc1 ZINC001138556419 803966671 /nfs/dbraw/zinc/96/66/71/803966671.db2.gz UUYGVCJJWMNHNK-KRWDZBQOSA-N 0 3 275.367 3.413 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccn2)cc1F ZINC001139527267 804202310 /nfs/dbraw/zinc/20/23/10/804202310.db2.gz CWGSUXDWRYKVGJ-QGZVFWFLSA-N 0 3 295.361 3.299 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@H]4OCCC[C@@H]4C3)c[nH]c21 ZINC001139702086 804259416 /nfs/dbraw/zinc/25/94/16/804259416.db2.gz VLVRERIFGRCKON-RHSMWYFYSA-N 0 3 295.386 3.040 20 30 CGEDHN CCCO[C@@H]1CCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140114372 804381290 /nfs/dbraw/zinc/38/12/90/804381290.db2.gz OHTYIARRTOVXGU-OAHLLOKOSA-N 0 3 283.375 3.040 20 30 CGEDHN CCCCCCCCC[C@H](C)N1CC2(C1)CNCCO2 ZINC001246617639 804451422 /nfs/dbraw/zinc/45/14/22/804451422.db2.gz CYJPHNVOCHPCKI-INIZCTEOSA-N 0 3 282.472 3.190 20 30 CGEDHN C=CCN(CC=C)Cc1cccc(-c2ncccn2)c1 ZINC001140980282 804561780 /nfs/dbraw/zinc/56/17/80/804561780.db2.gz SNJFWSWIJPFVFF-UHFFFAOYSA-N 0 3 265.360 3.318 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140980398 804561820 /nfs/dbraw/zinc/56/18/20/804561820.db2.gz WHIOXWMUTNKDME-OAHLLOKOSA-N 0 3 292.386 3.269 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001141152830 804600595 /nfs/dbraw/zinc/60/05/95/804600595.db2.gz DYSCPKHYPYHKAN-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN Cc1ccc(C#N)cc1C(=O)Nc1cccc(CN(C)C)c1 ZINC001141262896 804625537 /nfs/dbraw/zinc/62/55/37/804625537.db2.gz HMEJZUJJVBGCNB-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN CCCCCCCN(CC)Cc1cnc(C(=O)OC)cn1 ZINC001141828248 804671048 /nfs/dbraw/zinc/67/10/48/804671048.db2.gz OUJMBXBQDUPZHU-UHFFFAOYSA-N 0 3 293.411 3.056 20 30 CGEDHN CN(Cc1c[nH]c2cc(C#N)ccc12)C1CC(F)(F)C1 ZINC001142912127 804783748 /nfs/dbraw/zinc/78/37/48/804783748.db2.gz VRCXOXIZIFLSJE-UHFFFAOYSA-N 0 3 275.302 3.269 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3scnc3c2)C1 ZINC001144743662 805051303 /nfs/dbraw/zinc/05/13/03/805051303.db2.gz UVQDQAPFDATQIP-GFCCVEGCSA-N 0 3 256.374 3.142 20 30 CGEDHN C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1[O-] ZINC001249430439 805148659 /nfs/dbraw/zinc/14/86/59/805148659.db2.gz RNXYXKLBNUAZAN-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1[O-] ZINC001249430439 805148663 /nfs/dbraw/zinc/14/86/63/805148663.db2.gz RNXYXKLBNUAZAN-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN CN(Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1O ZINC001249430439 805148668 /nfs/dbraw/zinc/14/86/68/805148668.db2.gz RNXYXKLBNUAZAN-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN N#C[C@H]1CCCN(Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249524972 805165390 /nfs/dbraw/zinc/16/53/90/805165390.db2.gz UUNBGFNURXSXCO-LBPRGKRZSA-N 0 3 271.339 3.433 20 30 CGEDHN Cc1ccc(C#N)c(NC2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001249557276 805175497 /nfs/dbraw/zinc/17/54/97/805175497.db2.gz WSBVKROTTHNOAR-QGZVFWFLSA-N 0 3 297.402 3.047 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)CCCC ZINC001152018994 805331751 /nfs/dbraw/zinc/33/17/51/805331751.db2.gz GAWVFSJLCMODAT-CVEARBPZSA-N 0 3 280.456 3.053 20 30 CGEDHN CN1CCN(C2(c3ccc(CCCCC#N)cc3)CC2)CC1 ZINC001250065979 805399735 /nfs/dbraw/zinc/39/97/35/805399735.db2.gz LWIODILRXJADHV-UHFFFAOYSA-N 0 3 297.446 3.159 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC001154224244 805442171 /nfs/dbraw/zinc/44/21/71/805442171.db2.gz VFRLORNYBPVQFG-HNNXBMFYSA-N 0 3 278.440 3.112 20 30 CGEDHN CCC(CC)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC001167287860 807175991 /nfs/dbraw/zinc/17/59/91/807175991.db2.gz UYBITPOPNFYRMY-UHFFFAOYSA-N 0 3 289.398 3.256 20 30 CGEDHN CCCN(CCC#N)C1CCC(OC(C)C)CC1 ZINC001257882391 807236503 /nfs/dbraw/zinc/23/65/03/807236503.db2.gz LASRMNAPIPXGDN-UHFFFAOYSA-N 0 3 252.402 3.348 20 30 CGEDHN N#Cc1coc(CN[C@H]2Cc3cccc(Cl)c3C2)c1 ZINC001168717083 807495668 /nfs/dbraw/zinc/49/56/68/807495668.db2.gz ZHCGKVBWOCHDKP-LBPRGKRZSA-N 0 3 272.735 3.062 20 30 CGEDHN C=CCC[C@@H](C)NCc1cn(Cc2cccc(OC)c2)cn1 ZINC001258724349 807572147 /nfs/dbraw/zinc/57/21/47/807572147.db2.gz UTOGAVIYXKIXEA-OAHLLOKOSA-N 0 3 299.418 3.384 20 30 CGEDHN C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCCC1 ZINC001169134970 807586781 /nfs/dbraw/zinc/58/67/81/807586781.db2.gz AUMFAHMDVVTUQG-SUMWQHHRSA-N 0 3 299.418 3.033 20 30 CGEDHN CCCCN(CCC#N)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169695294 807689412 /nfs/dbraw/zinc/68/94/12/807689412.db2.gz VPCNAOLWQYKHIO-HNNXBMFYSA-N 0 3 295.427 3.013 20 30 CGEDHN C#C[C@](C)(CC)Nc1ccc([C@H]2CCCCN2C)cn1 ZINC001169697970 807690823 /nfs/dbraw/zinc/69/08/23/807690823.db2.gz PHDNGASYAIVMAD-NVXWUHKLSA-N 0 3 271.408 3.452 20 30 CGEDHN CCCCN(CCC#N)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170003098 807737524 /nfs/dbraw/zinc/73/75/24/807737524.db2.gz XXPWJVHSELSAIV-UHFFFAOYSA-N 0 3 281.444 3.413 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1sc(C)nc1CC(C)C ZINC001263089822 807932958 /nfs/dbraw/zinc/93/29/58/807932958.db2.gz UMAOVTQKEOAYGB-LBPRGKRZSA-N 0 3 295.452 3.272 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC1(c2cccc(F)c2)CCC1 ZINC001263134855 807935707 /nfs/dbraw/zinc/93/57/07/807935707.db2.gz FYPKVIMRPUWFMH-OAHLLOKOSA-N 0 3 290.382 3.005 20 30 CGEDHN CC[C@H](F)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC001263314029 807947100 /nfs/dbraw/zinc/94/71/00/807947100.db2.gz COMRTNXIPBUTQU-BDAKNGLRSA-N 0 3 295.264 3.356 20 30 CGEDHN N#CC(C(=O)CCC1CC1)c1nccn1Cc1ccccc1 ZINC001263332310 807947969 /nfs/dbraw/zinc/94/79/69/807947969.db2.gz LNAASAJSYOVVQC-INIZCTEOSA-N 0 3 293.370 3.298 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(CC)CCCC1 ZINC001263616985 807978546 /nfs/dbraw/zinc/97/85/46/807978546.db2.gz PJLCARNWJJCYGH-LBPRGKRZSA-N 0 3 259.353 3.050 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](F)CCCCCC ZINC001171153913 807999104 /nfs/dbraw/zinc/99/91/04/807999104.db2.gz YERDKCAHJAYNLF-ZDUSSCGKSA-N 0 3 292.826 3.143 20 30 CGEDHN COCC#CCN[C@](C)(Cc1ccccc1)c1ccccc1 ZINC001171156440 807999150 /nfs/dbraw/zinc/99/91/50/807999150.db2.gz LTVMCNGKUOBYSA-HXUWFJFHSA-N 0 3 293.410 3.384 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1ncccc1Cl ZINC001171185956 808003419 /nfs/dbraw/zinc/00/34/19/808003419.db2.gz SVHUOABQTBOGGP-GFCCVEGCSA-N 0 3 285.778 3.327 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(C)C(C)(C)C1(C)C ZINC001263823473 808008114 /nfs/dbraw/zinc/00/81/14/808008114.db2.gz OHOVPWWFIQRGSF-CQSZACIVSA-N 0 3 292.467 3.168 20 30 CGEDHN N#C[C@H]1CCCN([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382716 808040534 /nfs/dbraw/zinc/04/05/34/808040534.db2.gz CYIVQXUHVGLZHR-WFASDCNBSA-N 0 3 290.357 3.448 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001265327296 808131552 /nfs/dbraw/zinc/13/15/52/808131552.db2.gz FEVZBCSALCVUMM-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C1CCC(C(=O)NC[C@@H](C)NCc2ccsc2)CC1 ZINC001265820441 808185212 /nfs/dbraw/zinc/18/52/12/808185212.db2.gz CZIYBBZZWKIJFO-CYBMUJFWSA-N 0 3 292.448 3.089 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001265940134 808195936 /nfs/dbraw/zinc/19/59/36/808195936.db2.gz LKWBAINXIDRYHK-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCN([C@@H]1CCc2ccccc21)[C@@H]1COC(C)(C)C1 ZINC001172287432 808215726 /nfs/dbraw/zinc/21/57/26/808215726.db2.gz VEDUYOJSYLCPJF-DOTOQJQBSA-N 0 3 269.388 3.177 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCC1(C#N)CCCC1 ZINC001172293174 808217576 /nfs/dbraw/zinc/21/75/76/808217576.db2.gz SJJIOCFUKBNHHZ-CQSZACIVSA-N 0 3 267.376 3.163 20 30 CGEDHN C[C@@H](N[C@@H](C)Cc1ccc(C#N)cc1)c1cscn1 ZINC001172292305 808217917 /nfs/dbraw/zinc/21/79/17/808217917.db2.gz FLZVBWAIKVUVEV-NWDGAFQWSA-N 0 3 271.389 3.297 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N(C)Cc1cncs1 ZINC001172310669 808223305 /nfs/dbraw/zinc/22/33/05/808223305.db2.gz HEEHIPJPQAYIDX-GFCCVEGCSA-N 0 3 271.389 3.078 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(CF)cc1 ZINC001266191811 808225620 /nfs/dbraw/zinc/22/56/20/808225620.db2.gz KMOWFFXOVQYVRM-GFCCVEGCSA-N 0 3 298.789 3.007 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@@H](C)[C@H](F)C1 ZINC001172316977 808226857 /nfs/dbraw/zinc/22/68/57/808226857.db2.gz ZJIPQZLPAUOBMO-DVOMOZLQSA-N 0 3 260.356 3.169 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001266343879 808245074 /nfs/dbraw/zinc/24/50/74/808245074.db2.gz AMIFIZJDJZTCFF-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(CC(C)C)cc1 ZINC001266358471 808247620 /nfs/dbraw/zinc/24/76/20/808247620.db2.gz SCCPMCOLBMVTKR-UHFFFAOYSA-N 0 3 288.435 3.123 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CC(N2CCOCC2)C1 ZINC001172356555 808252950 /nfs/dbraw/zinc/25/29/50/808252950.db2.gz WWKSOGGNZKEDOD-MRXNPFEDSA-N 0 3 282.472 3.142 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1ccc(C)c(C)c1Cl ZINC001267254656 808397098 /nfs/dbraw/zinc/39/70/98/808397098.db2.gz YGRIUAPOLYSLAL-UHFFFAOYSA-N 0 3 294.826 3.195 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@](C)(C=C)CC)c1ccccc1 ZINC001267523796 808439465 /nfs/dbraw/zinc/43/94/65/808439465.db2.gz WXSSXDVZVXVIEQ-SJLPKXTDSA-N 0 3 286.419 3.222 20 30 CGEDHN C#CC1(N[C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172852450 808461962 /nfs/dbraw/zinc/46/19/62/808461962.db2.gz RPILGVRIVANNRX-SNVBAGLBSA-N 0 3 251.732 3.166 20 30 CGEDHN C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C)c1ccccc1 ZINC001267716787 808476729 /nfs/dbraw/zinc/47/67/29/808476729.db2.gz NPDLIEAUQNZDLL-BZSNNMDCSA-N 0 3 298.430 3.040 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)CCCCC)C1 ZINC001267773422 808488533 /nfs/dbraw/zinc/48/85/33/808488533.db2.gz NDGFJIBIEBNBNW-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)NCC1(C#N)CC1 ZINC001173075747 808503056 /nfs/dbraw/zinc/50/30/56/808503056.db2.gz DQAFEQXASKWLHC-LLVKDONJSA-N 0 3 298.308 3.410 20 30 CGEDHN C[N@H+](Cc1ccccc1[O-])C1CCC(CC#N)CC1 ZINC001173338059 808618831 /nfs/dbraw/zinc/61/88/31/808618831.db2.gz WKJSDBFPPQTVGT-UHFFFAOYSA-N 0 3 258.365 3.296 20 30 CGEDHN C[N@@H+](Cc1ccccc1[O-])C1CCC(CC#N)CC1 ZINC001173338059 808618833 /nfs/dbraw/zinc/61/88/33/808618833.db2.gz WKJSDBFPPQTVGT-UHFFFAOYSA-N 0 3 258.365 3.296 20 30 CGEDHN COc1cc(Nc2ccc3nc(C)[nH]c3c2)ccc1C#N ZINC001213075045 815223050 /nfs/dbraw/zinc/22/30/50/815223050.db2.gz AETYZFQEIQIKLU-UHFFFAOYSA-N 0 3 278.315 3.495 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1 ZINC001268922892 808636383 /nfs/dbraw/zinc/63/63/83/808636383.db2.gz XPHQTCAUZCEAMG-ROUUACIJSA-N 0 3 298.430 3.332 20 30 CGEDHN CC(=O)Oc1ccc(C2CCC(NCCC#N)CC2)cc1 ZINC001173780687 808671089 /nfs/dbraw/zinc/67/10/89/808671089.db2.gz SLBVAEMXSRDUIB-UHFFFAOYSA-N 0 3 286.375 3.141 20 30 CGEDHN C=C1CCC(C(=O)N2CCC[C@@H]2CNC[C@@H](F)CC)CC1 ZINC001270128891 808718093 /nfs/dbraw/zinc/71/80/93/808718093.db2.gz KMABLHKNEDCZFS-JKSUJKDBSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C=C2CCCCC2)CC1 ZINC001270213612 808722897 /nfs/dbraw/zinc/72/28/97/808722897.db2.gz XXOPRJFPXKQVAA-UHFFFAOYSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC=CCC1 ZINC001272662766 808819299 /nfs/dbraw/zinc/81/92/99/808819299.db2.gz LLCUNKFHJIDWTI-INIZCTEOSA-N 0 3 298.430 3.277 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCCC ZINC001275059566 808902060 /nfs/dbraw/zinc/90/20/60/808902060.db2.gz QLUYFGJRXWUYGZ-SJLPKXTDSA-N 0 3 286.419 3.125 20 30 CGEDHN CCCCCCCCCCN1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001275133913 808914523 /nfs/dbraw/zinc/91/45/23/808914523.db2.gz YNZQTTUKMZKLCD-CALCHBBNSA-N 0 3 282.472 3.142 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1csc2ccccc21 ZINC001275886950 808974389 /nfs/dbraw/zinc/97/43/89/808974389.db2.gz IPXULPWOLBTHRF-GFCCVEGCSA-N 0 3 288.416 3.137 20 30 CGEDHN C=CCCCCCN1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001276040146 808986237 /nfs/dbraw/zinc/98/62/37/808986237.db2.gz JBQLOQQIFWVJNI-HDICACEKSA-N 0 3 292.467 3.060 20 30 CGEDHN C=CCCCCCCCCCN1C[C@@H]2COC[C@H](C1)N2C ZINC001276435868 809009068 /nfs/dbraw/zinc/00/90/68/809009068.db2.gz NPSVJEJLXGUDRN-HDICACEKSA-N 0 3 294.483 3.308 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2(C)CCCC2)C(C)(C)C1 ZINC001276580867 809019318 /nfs/dbraw/zinc/01/93/18/809019318.db2.gz VUVSQPZJSPXPKQ-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)C(CC)CC)CCC[C@@H]12 ZINC001278450491 809134810 /nfs/dbraw/zinc/13/48/10/809134810.db2.gz DDPNBZNZCLZIOE-YXJHDRRASA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(CC=C)CCC2)C1 ZINC001278678325 809152190 /nfs/dbraw/zinc/15/21/90/809152190.db2.gz PSVZMYMCIZYZTB-KRWDZBQOSA-N 0 3 290.451 3.137 20 30 CGEDHN C#CCCN(C)CCN(C(=O)CCC1CCCC1)C(C)C ZINC001278889383 809154214 /nfs/dbraw/zinc/15/42/14/809154214.db2.gz TWWYGEJHXRUTFV-UHFFFAOYSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)CCC(F)(F)F)C(C)C ZINC001278900624 809155045 /nfs/dbraw/zinc/15/50/45/809155045.db2.gz YMSZEDCOGZSHQV-UHFFFAOYSA-N 0 3 294.361 3.074 20 30 CGEDHN C=C(C)CCC(=O)N(CCN(C)CC(=C)C)C(C)C ZINC001278908545 809155823 /nfs/dbraw/zinc/15/58/23/809155823.db2.gz TZAPQJIUYPIVEB-UHFFFAOYSA-N 0 3 266.429 3.088 20 30 CGEDHN N#Cc1ccc(Nc2ccnc(C3CC3)c2)c(N)c1 ZINC001213354020 815268624 /nfs/dbraw/zinc/26/86/24/815268624.db2.gz SITLRUYCZVIFSV-UHFFFAOYSA-N 0 3 250.305 3.156 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(CC=C)CCC2)C(C)(C)C1 ZINC001281554128 809215133 /nfs/dbraw/zinc/21/51/33/809215133.db2.gz WPFFSEIWPIQGIV-HNNXBMFYSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)CC(C)(C)CC)C1 ZINC001282010757 809227963 /nfs/dbraw/zinc/22/79/63/809227963.db2.gz KSWBQJCJLSTUHO-UHFFFAOYSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN(C)CCN(C(=O)C1CCC=CCC1)C(C)C ZINC001284557808 809310224 /nfs/dbraw/zinc/31/02/24/809310224.db2.gz HGASGRSWHVBKQU-UHFFFAOYSA-N 0 3 278.440 3.088 20 30 CGEDHN COCC1(N(C)CC#Cc2ccc(Cl)cc2)CCC1 ZINC001175965689 809584258 /nfs/dbraw/zinc/58/42/58/809584258.db2.gz OWIUCHOPOWBMAB-UHFFFAOYSA-N 0 3 277.795 3.192 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@H]1CCCCN1CCC ZINC001302189486 809591462 /nfs/dbraw/zinc/59/14/62/809591462.db2.gz JVNGMCLOWOJNSG-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCC(C)(C)OC ZINC001179391009 809919223 /nfs/dbraw/zinc/91/92/23/809919223.db2.gz OQHAGVIAENBSSC-UHFFFAOYSA-N 0 3 295.810 3.257 20 30 CGEDHN C[C@H](NCc1cn2ccnc2s1)c1cccc(C#N)c1 ZINC001179584622 809931102 /nfs/dbraw/zinc/93/11/02/809931102.db2.gz UUBWLOWWUKCQGF-NSHDSACASA-N 0 3 282.372 3.118 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2ccccc2)CCOCC1 ZINC001184276965 810187651 /nfs/dbraw/zinc/18/76/51/810187651.db2.gz JJBPXLOYMABOIB-IAGOWNOFSA-N 0 3 284.403 3.233 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@H](NC[C@H](F)CC)C2)CCCC1 ZINC001188490653 810484981 /nfs/dbraw/zinc/48/49/81/810484981.db2.gz VWNTUGIINQYELC-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN CCCCCCCCOC(=O)N[C@@H]1CCN(CC)C1 ZINC001194753998 811125603 /nfs/dbraw/zinc/12/56/03/811125603.db2.gz ZCIRZLHLLXEESA-CQSZACIVSA-N 0 3 270.417 3.167 20 30 CGEDHN C=CCCCCN(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001195659672 811276399 /nfs/dbraw/zinc/27/63/99/811276399.db2.gz PKAWDCGHTKBJKT-UHFFFAOYSA-N 0 3 294.439 3.426 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001196038552 811314547 /nfs/dbraw/zinc/31/45/47/811314547.db2.gz BWPLFHUACZSXOJ-CVEARBPZSA-N 0 3 276.424 3.351 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CCN1C1CCCC1 ZINC001197796432 811454132 /nfs/dbraw/zinc/45/41/32/811454132.db2.gz DNOHSVNBWKRNSL-CYBMUJFWSA-N 0 3 289.448 3.068 20 30 CGEDHN C=CC[C@@H]1CCN1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001198489581 811508910 /nfs/dbraw/zinc/50/89/10/811508910.db2.gz CDIZPEPBVAGGBU-HUUCEWRRSA-N 0 3 290.794 3.483 20 30 CGEDHN CCCCCCCCCN1CCN(CCOC)CC1 ZINC001201839274 811969900 /nfs/dbraw/zinc/96/99/00/811969900.db2.gz JWNMPYDXHQAMMR-UHFFFAOYSA-N 0 3 270.461 3.001 20 30 CGEDHN C=CCCCCN(C)Cc1cc(OC)ccc1OC ZINC001203531738 812384846 /nfs/dbraw/zinc/38/48/46/812384846.db2.gz KMLUKHFBLLREMA-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C[C@H]1CCN(Cc2cccc(C#N)c2)CCC1(F)F ZINC001203756937 812454345 /nfs/dbraw/zinc/45/43/45/812454345.db2.gz FPNGDIJPYSYVRI-LBPRGKRZSA-N 0 3 264.319 3.425 20 30 CGEDHN N#Cc1cccc(CN2CCC3(CCC(=O)CC3)CC2)c1 ZINC001203764601 812457750 /nfs/dbraw/zinc/45/77/50/812457750.db2.gz VMPNYFOKTQSIJL-UHFFFAOYSA-N 0 3 282.387 3.284 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C(F)F)C2)cc1 ZINC001203905655 812487624 /nfs/dbraw/zinc/48/76/24/812487624.db2.gz YXDHLXGBDKUWMX-CYBMUJFWSA-N 0 3 250.292 3.035 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCC(=O)CC3)CC2)cc1 ZINC001203905245 812488138 /nfs/dbraw/zinc/48/81/38/812488138.db2.gz ZVZHYRJBFYTMPV-UHFFFAOYSA-N 0 3 282.387 3.284 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@](C)(OC)C1CC1 ZINC001204496391 812656038 /nfs/dbraw/zinc/65/60/38/812656038.db2.gz GHYSANYODNZYGX-KRWDZBQOSA-N 0 3 275.367 3.076 20 30 CGEDHN CCCCO[C@@H]1C[C@H](N[C@H](CC)CC#N)C1(C)C ZINC001205238903 812915523 /nfs/dbraw/zinc/91/55/23/812915523.db2.gz YVRNCEDLFCHTAX-HZSPNIEDSA-N 0 3 252.402 3.252 20 30 CGEDHN N#Cc1cccc(C2CCN(Cc3cccc(=O)[nH]3)CC2)c1 ZINC001207071170 813479337 /nfs/dbraw/zinc/47/93/37/813479337.db2.gz MQOYILAZKBLHQY-UHFFFAOYSA-N 0 3 293.370 3.038 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCC[C@H](C)CCC)C1 ZINC001207127170 813493107 /nfs/dbraw/zinc/49/31/07/813493107.db2.gz PYPSGFMJKXOSDS-BZUAXINKSA-N 0 3 280.456 3.215 20 30 CGEDHN C#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001207610325 813613731 /nfs/dbraw/zinc/61/37/31/813613731.db2.gz AJUSXXLLKSJPOK-PMACEKPBSA-N 0 3 288.394 3.131 20 30 CGEDHN C=CCN1CCN(CC[C@H](C)CC(C)(C)C)CC1 ZINC001208659015 813783758 /nfs/dbraw/zinc/78/37/58/813783758.db2.gz FKWUNPXKTDLBIO-HNNXBMFYSA-N 0 3 252.446 3.252 20 30 CGEDHN C=CCN(CC=C)CCc1cccnc1OC(C)C ZINC001208797937 813853096 /nfs/dbraw/zinc/85/30/96/813853096.db2.gz ADEVRKBPNBMYPT-UHFFFAOYSA-N 0 3 260.381 3.085 20 30 CGEDHN N#Cc1ccc(CCCN2CC3(C2)C[C@H](F)CS3)cc1 ZINC001208862241 813872701 /nfs/dbraw/zinc/87/27/01/813872701.db2.gz FHCZIZJRCMMXFW-HNNXBMFYSA-N 0 3 290.407 3.020 20 30 CGEDHN C=CCCCCN1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001209200833 813964484 /nfs/dbraw/zinc/96/44/84/813964484.db2.gz PIEJXFHGQVVRDI-LSDHHAIUSA-N 0 3 294.439 3.426 20 30 CGEDHN CCCN(CCC#N)CCCCCCC(=O)OCC ZINC001209352870 814003539 /nfs/dbraw/zinc/00/35/39/814003539.db2.gz ZAWLOASWURTDAV-UHFFFAOYSA-N 0 3 268.401 3.126 20 30 CGEDHN C=CCCCCCN1CCN(c2cccc(C)n2)CC1 ZINC001209423617 814025883 /nfs/dbraw/zinc/02/58/83/814025883.db2.gz UXGBTVKICMVPFU-UHFFFAOYSA-N 0 3 273.424 3.258 20 30 CGEDHN C=CCCCCCN1CCc2nc(Cl)ncc2C1 ZINC001209427615 814027591 /nfs/dbraw/zinc/02/75/91/814027591.db2.gz VLTOXZGZGBENBL-UHFFFAOYSA-N 0 3 265.788 3.235 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H](NC[C@@H](F)CC)C2)CCC1 ZINC001209503233 814066326 /nfs/dbraw/zinc/06/63/26/814066326.db2.gz HKXWEBBMZREZEH-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(C#N)nc3)cccc21 ZINC001209653865 814106322 /nfs/dbraw/zinc/10/63/22/814106322.db2.gz JAIHDUAFXNTVPY-MRXNPFEDSA-N 0 3 294.358 3.082 20 30 CGEDHN Cc1ccc(C2=CC(=O)C[C@@H](C)C2)c(CN(C)C)c1 ZINC001242742073 823118368 /nfs/dbraw/zinc/11/83/68/823118368.db2.gz IHGPDKSZVQXEPN-ZDUSSCGKSA-N 0 3 257.377 3.439 20 30 CGEDHN C=CC[C@@H](OC[C@H]1COC(C)(C)N1)c1ccccc1 ZINC001217873910 815984984 /nfs/dbraw/zinc/98/49/84/815984984.db2.gz FEEGWWZJFKKKFJ-LSDHHAIUSA-N 0 3 261.365 3.045 20 30 CGEDHN N#Cc1ccc2cc(O[C@H]3CNCCC3(F)F)ccc2c1 ZINC001218449364 816218762 /nfs/dbraw/zinc/21/87/62/816218762.db2.gz UWHNRFKCIRXKIH-HNNXBMFYSA-N 0 3 288.297 3.087 20 30 CGEDHN CCc1cc(C)c(C#N)c(O[C@@H]2CNCc3ccccc32)n1 ZINC001218489306 816243352 /nfs/dbraw/zinc/24/33/52/816243352.db2.gz NYKREYBHFWRREW-QGZVFWFLSA-N 0 3 293.370 3.047 20 30 CGEDHN Cc1cccc(C#N)c1O[C@H]1CNCc2ccccc21 ZINC001218491987 816246920 /nfs/dbraw/zinc/24/69/20/816246920.db2.gz ZLAABMOFROHRQG-INIZCTEOSA-N 0 3 264.328 3.090 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NCc1cccc2cc[nH]c21 ZINC001220714257 816299030 /nfs/dbraw/zinc/29/90/30/816299030.db2.gz FBKJNPVBJLOAOP-INIZCTEOSA-N 0 3 299.418 3.248 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C(CC)CC)C[C@@H]21 ZINC001223024339 816553946 /nfs/dbraw/zinc/55/39/46/816553946.db2.gz YRWJOCZXNKTBAD-OIISXLGYSA-N 0 3 292.467 3.168 20 30 CGEDHN CCCCCCCC[C@H](C)OCCN1CCN(C)CC1 ZINC001224550567 816827528 /nfs/dbraw/zinc/82/75/28/816827528.db2.gz WXXVBMDCSKSIKK-KRWDZBQOSA-N 0 3 284.488 3.390 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCCC ZINC001224797165 816883991 /nfs/dbraw/zinc/88/39/91/816883991.db2.gz NESRPQPNFUPFCM-ZIAGYGMSSA-N 0 3 286.847 3.336 20 30 CGEDHN C[C@H](c1ccccn1)N1CCC[C@H](OCC#CC2CC2)C1 ZINC001224849318 816892944 /nfs/dbraw/zinc/89/29/44/816892944.db2.gz BJXJLPKAQDSHPG-WBVHZDCISA-N 0 3 284.403 3.037 20 30 CGEDHN C#CCN1CCC(CNC(=O)[C@@H](C)CCCCCC)CC1 ZINC001224921278 816910231 /nfs/dbraw/zinc/91/02/31/816910231.db2.gz PBMNGPBHZXSRCC-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C(=C)C ZINC001227917196 817752707 /nfs/dbraw/zinc/75/27/07/817752707.db2.gz PAOYTKJEXYNRKP-ZIAGYGMSSA-N 0 3 298.858 3.358 20 30 CGEDHN C#C[C@@H](C)Oc1ccc2ccccc2c1CN(C)C ZINC001228440204 817906261 /nfs/dbraw/zinc/90/62/61/817906261.db2.gz AFZHHSKSJHKXQX-CYBMUJFWSA-N 0 3 253.345 3.302 20 30 CGEDHN CCCc1cc(C)nc(OC2CCN(C3CC3)CC2)c1C#N ZINC001228599471 817950826 /nfs/dbraw/zinc/95/08/26/817950826.db2.gz IANYUXWLTILNMW-UHFFFAOYSA-N 0 3 299.418 3.220 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231227357 818061650 /nfs/dbraw/zinc/06/16/50/818061650.db2.gz YAIGCPNRCPVABG-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN CN(CCC#N)c1ccc(CN(C)C2CC(F)(F)C2)cc1 ZINC001231818295 818184565 /nfs/dbraw/zinc/18/45/65/818184565.db2.gz MILPVWBRIHLDTL-UHFFFAOYSA-N 0 3 293.361 3.266 20 30 CGEDHN C[C@@]1(CO)CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232111720 818258517 /nfs/dbraw/zinc/25/85/17/818258517.db2.gz KHLIZRUHWOSZAC-MRXNPFEDSA-N 0 3 292.810 3.196 20 30 CGEDHN CCCCN(CC#N)Cc1cc(F)cc(CN(C)C)c1 ZINC001232149035 818263490 /nfs/dbraw/zinc/26/34/90/818263490.db2.gz IZSLTXUVPCXJSY-UHFFFAOYSA-N 0 3 277.387 3.013 20 30 CGEDHN CN(Cc1c[nH]c2ccc(O)cc12)Cc1ccc(C#N)cc1 ZINC001232865900 818457712 /nfs/dbraw/zinc/45/77/12/818457712.db2.gz HHIHDOUTGPLFDM-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN C[C@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)[C@H]1C ZINC001233100546 818521630 /nfs/dbraw/zinc/52/16/30/818521630.db2.gz JPENXQZJTZNMDR-STQMWFEESA-N 0 3 289.398 3.384 20 30 CGEDHN C=CCN(C)Cc1cc(Br)cc(OC)c1 ZINC001233214843 818543020 /nfs/dbraw/zinc/54/30/20/818543020.db2.gz FXKLEGLQJDEMPX-UHFFFAOYSA-N 0 3 270.170 3.076 20 30 CGEDHN CCc1cc(C)c(C#N)c(O[C@H]2CCCN(C(C)C)C2)n1 ZINC001233557476 818640968 /nfs/dbraw/zinc/64/09/68/818640968.db2.gz YYDGCYFGOLDBIV-HNNXBMFYSA-N 0 3 287.407 3.076 20 30 CGEDHN C=CCN(CC=C)Cc1cccc(OC(F)(F)F)c1O ZINC001233760509 818699630 /nfs/dbraw/zinc/69/96/30/818699630.db2.gz GGLFIFXCADTQCH-UHFFFAOYSA-N 0 3 287.281 3.465 20 30 CGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001233760737 818699642 /nfs/dbraw/zinc/69/96/42/818699642.db2.gz DHIYKMRWJHYQGA-LKUPDRCFSA-N 0 3 290.451 3.069 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@@H](F)[C@H](N)C1 ZINC001235910665 819219379 /nfs/dbraw/zinc/21/93/79/819219379.db2.gz IFBIUQQEEYXHSO-VMFRVMOISA-N 0 3 256.409 3.274 20 30 CGEDHN N#Cc1ccc(-c2cccc(CN3CCCCC3)c2F)nn1 ZINC001236002157 819268787 /nfs/dbraw/zinc/26/87/87/819268787.db2.gz GESLRICWZKRBSW-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN N#Cc1ccnnc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236235162 819395541 /nfs/dbraw/zinc/39/55/41/819395541.db2.gz WOIPTZCYGHMPRM-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN N#CCC1CCN(Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237834567 819854741 /nfs/dbraw/zinc/85/47/41/819854741.db2.gz WRULTBSTUCRUAA-UHFFFAOYSA-N 0 3 292.386 3.269 20 30 CGEDHN C=CCN(CC=C)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238205478 819955852 /nfs/dbraw/zinc/95/58/52/819955852.db2.gz DZTWJXLVRXMTGO-UHFFFAOYSA-N 0 3 253.349 3.251 20 30 CGEDHN CC[N@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1[O-] ZINC001238412185 819987951 /nfs/dbraw/zinc/98/79/51/819987951.db2.gz ACILDQSVLIFVFF-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN CC[N@@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1[O-] ZINC001238412185 819987955 /nfs/dbraw/zinc/98/79/55/819987955.db2.gz ACILDQSVLIFVFF-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN COc1cc(CN2CC[C@@H](C)C(F)(F)CC2)ccc1C#N ZINC001238411036 819988712 /nfs/dbraw/zinc/98/87/12/819988712.db2.gz XIERRRWWUVLUFG-GFCCVEGCSA-N 0 3 294.345 3.434 20 30 CGEDHN CCCO[C@@H]1CCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238769665 820113753 /nfs/dbraw/zinc/11/37/53/820113753.db2.gz CFAPRCARMVFCKJ-QGZVFWFLSA-N 0 3 272.392 3.122 20 30 CGEDHN CCCCCCCCOC(=O)Nc1ccnc(CN)c1 ZINC001239312335 820260514 /nfs/dbraw/zinc/26/05/14/820260514.db2.gz MGGMWPXCCMPEGS-UHFFFAOYSA-N 0 3 279.384 3.449 20 30 CGEDHN CN(C)Cc1cncc(-c2ccc(Cl)c(C#N)c2)c1 ZINC001240403865 821024247 /nfs/dbraw/zinc/02/42/47/821024247.db2.gz VZZSZTFFXVDDMF-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN C=C(C)c1nc(C)cc2c1cc(C(=O)OCC)n2C ZINC001240833171 821360196 /nfs/dbraw/zinc/36/01/96/821360196.db2.gz KCCUUAKPHIZJKG-UHFFFAOYSA-N 0 3 258.321 3.092 20 30 CGEDHN C#Cc1cccc(-c2ccc(CN(C)C3CC3)cn2)c1 ZINC001241918894 822218429 /nfs/dbraw/zinc/21/84/29/822218429.db2.gz SSNPCBJLSDGHGW-UHFFFAOYSA-N 0 3 262.356 3.324 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001340458204 936405292 /nfs/dbraw/zinc/40/52/92/936405292.db2.gz YWJIJNMEJBHDFU-RWMBFGLXSA-N 0 3 299.349 3.278 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCC3)s1 ZINC001341803272 936451868 /nfs/dbraw/zinc/45/18/68/936451868.db2.gz UAXVCRDICZUYDQ-UHFFFAOYSA-N 0 3 268.385 3.398 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC2(C)CC2)c1 ZINC001342717707 936476451 /nfs/dbraw/zinc/47/64/51/936476451.db2.gz OSZBQGCFCDJIII-AWEZNQCLSA-N 0 3 284.359 3.223 20 30 CGEDHN N#Cc1csc(CNC2CCC3(CCC3)CC2)n1 ZINC001474281719 937848231 /nfs/dbraw/zinc/84/82/31/937848231.db2.gz VMHRQTKALYBBFA-UHFFFAOYSA-N 0 3 261.394 3.217 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001345646658 936819726 /nfs/dbraw/zinc/81/97/26/936819726.db2.gz MFMWZHYYZZHINL-IUODEOHRSA-N 0 3 299.349 3.412 20 30 CGEDHN C[C@@H]1CCC[C@@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345622013 936817529 /nfs/dbraw/zinc/81/75/29/936817529.db2.gz SSCXUMYPUOAATB-FOGDFJRCSA-N 0 3 278.302 3.362 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001346096358 936837653 /nfs/dbraw/zinc/83/76/53/936837653.db2.gz PJYHALAPLGKQOE-MNOVXSKESA-N 0 3 291.782 3.220 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1sccc1C1CC1 ZINC001346095787 936838179 /nfs/dbraw/zinc/83/81/79/936838179.db2.gz JEVNZXRDMNJYKU-LBPRGKRZSA-N 0 3 285.372 3.332 20 30 CGEDHN C=C(CC(C)C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC001347174645 936872965 /nfs/dbraw/zinc/87/29/65/936872965.db2.gz XMGVYYCZNPAUFE-UHFFFAOYSA-N 0 3 278.371 3.428 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(C)c(C)s1 ZINC001347338783 936879886 /nfs/dbraw/zinc/87/98/86/936879886.db2.gz VLNIDWDEUZLMJU-NSHDSACASA-N 0 3 273.361 3.071 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC001349703426 936959015 /nfs/dbraw/zinc/95/90/15/936959015.db2.gz XJDYBXMIAPMOLY-DRPJVOAASA-N 0 3 293.370 3.129 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001345646283 926694794 /nfs/dbraw/zinc/69/47/94/926694794.db2.gz IVCZRJYBDRSMSE-CZUORRHYSA-N 0 3 271.364 3.216 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCC1 ZINC001481680110 927052561 /nfs/dbraw/zinc/05/25/61/927052561.db2.gz SJKKXJBIXNXAGM-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CC)[C@H]1CCN(CC(=C)C)C1 ZINC001481772519 927085240 /nfs/dbraw/zinc/08/52/40/927085240.db2.gz HQYPRMAKAMCKNW-HOTGVXAUSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCC12CC2)C(C)C ZINC001482537549 927281414 /nfs/dbraw/zinc/28/14/14/927281414.db2.gz MKWUZAMUZXJJIK-ZIAGYGMSSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCCC(=O)NCC1(NCc2cc(C)sc2C)CC1 ZINC001483721046 927583788 /nfs/dbraw/zinc/58/37/88/927583788.db2.gz MWXRSEMMUDILIF-UHFFFAOYSA-N 0 3 292.448 3.070 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C)c1 ZINC001485338228 927852041 /nfs/dbraw/zinc/85/20/41/927852041.db2.gz GXVJHRJRCVGCNT-OAHLLOKOSA-N 0 3 288.435 3.144 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCC1(C)C)C1CC1 ZINC001495282004 928331735 /nfs/dbraw/zinc/33/17/35/928331735.db2.gz VPOBUDPSASQFSO-CJNGLKHVSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2CCC2(C)C)CC1 ZINC001490619657 928377776 /nfs/dbraw/zinc/37/77/76/928377776.db2.gz JPVMYKDGKCXDON-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001453351606 937401986 /nfs/dbraw/zinc/40/19/86/937401986.db2.gz YWMDBDQSPZMZKT-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C#CCN(Cc1cccc(C(=O)OC(C)(C)C)c1)CC1CC1 ZINC001459773656 937499704 /nfs/dbraw/zinc/49/97/04/937499704.db2.gz GUVPEWXTLBYIAR-UHFFFAOYSA-N 0 3 299.414 3.487 20 30 CGEDHN C=CCCCCN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001460018543 937510837 /nfs/dbraw/zinc/51/08/37/937510837.db2.gz FLGGJTNXEMTTPC-UHFFFAOYSA-N 0 3 292.398 3.313 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cc(Cl)ccc1F ZINC001460029784 937511906 /nfs/dbraw/zinc/51/19/06/937511906.db2.gz CEMODZAIJXHLPC-UHFFFAOYSA-N 0 3 284.806 3.419 20 30 CGEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@H]1Cc2ccccc2O1 ZINC001139531605 931953906 /nfs/dbraw/zinc/95/39/06/931953906.db2.gz JZIACGUAPUWTBK-MRXNPFEDSA-N 0 3 296.345 3.133 20 30 CGEDHN C[C@@H](C#C[Si](C)(C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228945863 932056733 /nfs/dbraw/zinc/05/67/33/932056733.db2.gz WQEJXMDLDLGKQJ-AWEZNQCLSA-N 0 3 287.479 3.323 20 30 CGEDHN CCC#C[C@@H](C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303043 932129099 /nfs/dbraw/zinc/12/90/99/932129099.db2.gz PHBQZBLRTKNTDA-CQSZACIVSA-N 0 3 273.376 3.002 20 30 CGEDHN C#C[C@@H](CCCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302094 932129116 /nfs/dbraw/zinc/12/91/16/932129116.db2.gz FXIQAUDHKVYKNZ-INIZCTEOSA-N 0 3 287.403 3.392 20 30 CGEDHN C#CC[C@H](CO)NCc1ccc(-c2ccccc2)c(Cl)c1 ZINC001461526077 937584959 /nfs/dbraw/zinc/58/49/59/937584959.db2.gz FVIIJVQTTZUWRV-MRXNPFEDSA-N 0 3 299.801 3.481 20 30 CGEDHN Cc1ccc(CNCc2ccc(CC#N)cc2)cc1F ZINC001461609099 937588079 /nfs/dbraw/zinc/58/80/79/937588079.db2.gz QBJPTJOWQUMNGN-UHFFFAOYSA-N 0 3 268.335 3.490 20 30 CGEDHN CCN1CC[C@@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230632962 932600852 /nfs/dbraw/zinc/60/08/52/932600852.db2.gz OPJIYFLENQRWLJ-CQSZACIVSA-N 0 3 272.392 3.329 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001230759289 932620880 /nfs/dbraw/zinc/62/08/80/932620880.db2.gz QNZJWHZMJANKNH-LBPRGKRZSA-N 0 3 296.798 3.046 20 30 CGEDHN C[C@]1(F)CCCN(Cc2ccc(C#N)s2)CC1 ZINC001232842167 932683331 /nfs/dbraw/zinc/68/33/31/932683331.db2.gz MPWZHAONXPOBNA-ZDUSSCGKSA-N 0 3 252.358 3.334 20 30 CGEDHN COc1ccc(-c2ccc([O-])c(C#N)c2)c(C[NH+](C)C)c1 ZINC001242566240 932703847 /nfs/dbraw/zinc/70/38/47/932703847.db2.gz OZXKWVZFMQXQKG-UHFFFAOYSA-N 0 3 282.343 3.001 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001316608932 932748336 /nfs/dbraw/zinc/74/83/36/932748336.db2.gz IOSRARCGYHDLTG-FUHWJXTLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC001317228776 932821779 /nfs/dbraw/zinc/82/17/79/932821779.db2.gz KDJGLZZASGFKMJ-LLVKDONJSA-N 0 3 298.789 3.040 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C(C)C ZINC001316677910 932822717 /nfs/dbraw/zinc/82/27/17/932822717.db2.gz ZCGDRHDQSALVTD-GXTWGEPZSA-N 0 3 286.847 3.002 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccccc2OCC(F)F)C1 ZINC001462382710 937636515 /nfs/dbraw/zinc/63/65/15/937636515.db2.gz GWAWZLNOZBWKRZ-ZDUSSCGKSA-N 0 3 279.330 3.176 20 30 CGEDHN C=CC[C@H](C)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001307468564 932956993 /nfs/dbraw/zinc/95/69/93/932956993.db2.gz AUWBJIBHJFLHDN-SWLSCSKDSA-N 0 3 292.810 3.342 20 30 CGEDHN C=CCCCCN1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC001307924724 933022299 /nfs/dbraw/zinc/02/22/99/933022299.db2.gz KOUWANKYOPKHBC-MRXNPFEDSA-N 0 3 283.387 3.100 20 30 CGEDHN Cc1ccc(CN2CCN(C)C[C@H]2CC(C)C)cc1C#N ZINC001308099243 933048376 /nfs/dbraw/zinc/04/83/76/933048376.db2.gz DMZDHWKQUVBXDV-GOSISDBHSA-N 0 3 285.435 3.029 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(F)ccc1N(C)C ZINC001308652748 933151248 /nfs/dbraw/zinc/15/12/48/933151248.db2.gz DGJSBXYOMXLFJR-UHFFFAOYSA-N 0 3 250.361 3.290 20 30 CGEDHN C=CCC[C@H](C)N[C@H](CC(N)=O)c1ccccc1Cl ZINC001308674307 933155003 /nfs/dbraw/zinc/15/50/03/933155003.db2.gz ODQVRRWOIQPDIJ-SMDDNHRTSA-N 0 3 280.799 3.201 20 30 CGEDHN Cc1csc2nc(C)c(CNCC(C)(C)CC#N)n12 ZINC001308809525 933181978 /nfs/dbraw/zinc/18/19/78/933181978.db2.gz BTYRUHPDOFGRIY-UHFFFAOYSA-N 0 3 276.409 3.042 20 30 CGEDHN C=CCCC[N@@H+](CC)Cc1c(C)cc(OC)cc1[O-] ZINC001308968502 933216273 /nfs/dbraw/zinc/21/62/73/933216273.db2.gz GMEPTVGLKXBTEP-UHFFFAOYSA-N 0 3 263.381 3.497 20 30 CGEDHN C=CCCC[N@H+](CC)Cc1c(C)cc(OC)cc1[O-] ZINC001308968502 933216277 /nfs/dbraw/zinc/21/62/77/933216277.db2.gz GMEPTVGLKXBTEP-UHFFFAOYSA-N 0 3 263.381 3.497 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001317050093 933521393 /nfs/dbraw/zinc/52/13/93/933521393.db2.gz NRDIKOJFSFZHMD-CALCHBBNSA-N 0 3 292.467 3.454 20 30 CGEDHN C#CCN1CCC[C@H](CNC(=O)CCCC[C@H](C)CC)C1 ZINC001317133311 933537746 /nfs/dbraw/zinc/53/77/46/933537746.db2.gz YLRIZGKSGMTFET-IAGOWNOFSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001317171319 933544220 /nfs/dbraw/zinc/54/42/20/933544220.db2.gz ADZGUSGAUKNAPX-IRXDYDNUSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001317453789 933594548 /nfs/dbraw/zinc/59/45/48/933594548.db2.gz VPMRBSCLSUIHAE-QAQDUYKDSA-N 0 3 292.467 3.217 20 30 CGEDHN C=CCN(C)CCNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001317471495 933600341 /nfs/dbraw/zinc/60/03/41/933600341.db2.gz KIQPFPGYMKPWCN-AWEZNQCLSA-N 0 3 274.408 3.048 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1ccccc1F)c1ccccc1 ZINC001317714615 933636925 /nfs/dbraw/zinc/63/69/25/933636925.db2.gz SKMJJQGKVBHDHY-KRWDZBQOSA-N 0 3 298.361 3.072 20 30 CGEDHN C=CCN[C@H](CNC(=O)C1(CCC)CC1)c1ccccc1 ZINC001317723597 933638883 /nfs/dbraw/zinc/63/88/83/933638883.db2.gz HWCOMOFDGXWEFM-MRXNPFEDSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)C2CCC2)CCCC1 ZINC001318636524 933756572 /nfs/dbraw/zinc/75/65/72/933756572.db2.gz IVKUITVXVSXDPJ-CYBMUJFWSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)C(C)C)CCCC1 ZINC001319376670 933866397 /nfs/dbraw/zinc/86/63/97/933866397.db2.gz AEUCVONZGBLRTH-ZDUSSCGKSA-N 0 3 286.847 3.050 20 30 CGEDHN C#CCN(Cc1cc2cc(F)ccc2o1)CC1CC1 ZINC001319727235 933923408 /nfs/dbraw/zinc/92/34/08/933923408.db2.gz NWMFQFRTSVTXEC-UHFFFAOYSA-N 0 3 257.308 3.417 20 30 CGEDHN C#CCOCCN(C)Cc1ccc(-c2ccsc2)cc1 ZINC001321205400 934163041 /nfs/dbraw/zinc/16/30/41/934163041.db2.gz ZAVNYHIUIWFUEE-UHFFFAOYSA-N 0 3 285.412 3.497 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3c[nH]nc32)cc1Cl ZINC001321222381 934165147 /nfs/dbraw/zinc/16/51/47/934165147.db2.gz GCEZHEQJYAPFST-UHFFFAOYSA-N 0 3 296.761 3.378 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@@H](C#N)C2)cc(Cl)c1OC ZINC001321668719 934202806 /nfs/dbraw/zinc/20/28/06/934202806.db2.gz RIARQPACLCDHAQ-ZYHUDNBSSA-N 0 3 294.782 3.139 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1cccc2ccccc21 ZINC001322285558 934271099 /nfs/dbraw/zinc/27/10/99/934271099.db2.gz NRXSLNPZTGKRIT-OAHLLOKOSA-N 0 3 296.414 3.005 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001323213483 934374523 /nfs/dbraw/zinc/37/45/23/934374523.db2.gz CVGDYXVOADBELJ-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCCN1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001473578966 937812171 /nfs/dbraw/zinc/81/21/71/937812171.db2.gz VQWIPFMYVXLXKL-MCIONIFRSA-N 0 3 282.428 3.281 20 30 CGEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(C#N)cn1 ZINC001326609359 934994215 /nfs/dbraw/zinc/99/42/15/934994215.db2.gz CJEYQTWKORFCCP-SWLSCSKDSA-N 0 3 293.370 3.305 20 30 CGEDHN C=CCO[C@H]1CCN(C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001327946375 935100806 /nfs/dbraw/zinc/10/08/06/935100806.db2.gz OWOQAEAEYRIIQO-WBMJQRKESA-N 0 3 281.346 3.345 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001328912027 935174609 /nfs/dbraw/zinc/17/46/09/935174609.db2.gz POEULHLZSNSXOZ-ROKHWSDSSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@@H](C)c1ccccc1C ZINC001329571072 935228380 /nfs/dbraw/zinc/22/83/80/935228380.db2.gz GIOFEFGCIMYXOO-CVEARBPZSA-N 0 3 288.435 3.111 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@](C)(CC)CCC)CC1 ZINC001333419309 935534627 /nfs/dbraw/zinc/53/46/27/935534627.db2.gz GKKXOODASMDNES-QGZVFWFLSA-N 0 3 278.440 3.137 20 30 CGEDHN C=C(C)CCC(=O)Nc1cc(CN(C)C)ccc1C ZINC001335840559 936163294 /nfs/dbraw/zinc/16/32/94/936163294.db2.gz SFWMZLOSPJOKGK-UHFFFAOYSA-N 0 3 260.381 3.351 20 30 CGEDHN C=CCCC[C@H](NC(=O)[C@H](N)CC1CC1)c1ccccc1 ZINC001337069705 936235582 /nfs/dbraw/zinc/23/55/82/936235582.db2.gz YJHVLWNOAJCMLV-SJORKVTESA-N 0 3 286.419 3.328 20 30 CGEDHN C=CCSCCNCc1c[nH]c(-c2ccccc2)n1 ZINC001474107676 937840447 /nfs/dbraw/zinc/84/04/47/937840447.db2.gz MFQIJTPYZXVGKL-UHFFFAOYSA-N 0 3 273.405 3.086 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)[C@@H](F)CC)C1 ZINC001479909371 937929170 /nfs/dbraw/zinc/92/91/70/937929170.db2.gz VQVQLYWJIMMSEN-CABCVRRESA-N 0 3 286.435 3.286 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CCN(CC(=C)C)C1 ZINC001493963442 937952340 /nfs/dbraw/zinc/95/23/40/937952340.db2.gz XGTGSBNYUGUHMR-SJORKVTESA-N 0 3 292.467 3.478 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CC1(C)CCCC1 ZINC001497181662 937965053 /nfs/dbraw/zinc/96/50/53/937965053.db2.gz SJYAHHPPSLHCNN-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001497311768 937965562 /nfs/dbraw/zinc/96/55/62/937965562.db2.gz KQRIXFINZRZNJU-UBHSHLNASA-N 0 3 286.847 3.050 20 30 CGEDHN CC#CCNCCN(CC)C(=O)[C@H](CC)CC1CCCC1 ZINC001497464419 937966042 /nfs/dbraw/zinc/96/60/42/937966042.db2.gz NBFQKYPKHLTZPM-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CC1(CC(=O)N[C@@H](C)CNC[C@@H](F)CC)CCCCC1 ZINC001498134557 937967796 /nfs/dbraw/zinc/96/77/96/937967796.db2.gz USQFJCZZLBCHFQ-GJZGRUSLSA-N 0 3 298.446 3.355 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)CC ZINC001499512377 937973735 /nfs/dbraw/zinc/97/37/35/937973735.db2.gz XIQOLJBMSXBBIH-OAGGEKHMSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001506563047 937990762 /nfs/dbraw/zinc/99/07/62/937990762.db2.gz WRDCUCOQEHBPFO-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001506862696 937992298 /nfs/dbraw/zinc/99/22/98/937992298.db2.gz ASDFCYFBBJVEGW-MRXNPFEDSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)NCc1ccsc1 ZINC001507076649 937994136 /nfs/dbraw/zinc/99/41/36/937994136.db2.gz LCWOFZDBFFMDTD-CYBMUJFWSA-N 0 3 294.464 3.287 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1cc(C)cs1)C(C)C ZINC001507788222 937996981 /nfs/dbraw/zinc/99/69/81/937996981.db2.gz RUHDQNAOCXGWEZ-UHFFFAOYSA-N 0 3 280.437 3.025 20 30 CGEDHN C=CC1(CC(=O)N(C)[C@@H]2CCCN(C)C2)CCCCC1 ZINC001514797528 938002853 /nfs/dbraw/zinc/00/28/53/938002853.db2.gz LETDXKIANNIOIG-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN Cc1nc2cc(C(=O)C(C#N)c3cccc(F)n3)ccc2o1 ZINC001524733953 938045264 /nfs/dbraw/zinc/04/52/64/938045264.db2.gz MKUKTQAUZPSFHQ-LLVKDONJSA-N 0 3 295.273 3.160 20 30 CGEDHN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001527018677 938059834 /nfs/dbraw/zinc/05/98/34/938059834.db2.gz CYOXRGLROOZRQO-JLLWLGSASA-N 0 3 278.302 3.218 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001529585210 938073777 /nfs/dbraw/zinc/07/37/77/938073777.db2.gz MUZUBGZSRDKRDH-CGZBRXJRSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001556465954 938204008 /nfs/dbraw/zinc/20/40/08/938204008.db2.gz CYYLUWFWRFOIMH-UHFFFAOYSA-N 0 3 299.418 3.056 20 30 CGEDHN COCC#CCN1CCCC[C@@H]1c1cccc(C)c1C ZINC001559563162 938229964 /nfs/dbraw/zinc/22/99/64/938229964.db2.gz QCAYZZUNIAITLB-GOSISDBHSA-N 0 3 271.404 3.480 20 30 CGEDHN C#CCOCCN(CCc1ccc(C)cc1)Cc1ccco1 ZINC001559574685 938230052 /nfs/dbraw/zinc/23/00/52/938230052.db2.gz HHUIZBRPGWCIDM-UHFFFAOYSA-N 0 3 297.398 3.283 20 30 CGEDHN C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1[O-] ZINC001560575931 938263627 /nfs/dbraw/zinc/26/36/27/938263627.db2.gz VSLVAFPEWZEQPW-JTQLQIEISA-N 0 3 258.346 3.176 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H]1CCOCC12CCCC2 ZINC001561051022 938291774 /nfs/dbraw/zinc/29/17/74/938291774.db2.gz MZSCRBZYPFITQJ-MRXNPFEDSA-N 0 3 288.366 3.136 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230573318 957848338 /nfs/dbraw/zinc/84/83/38/957848338.db2.gz UBZWJBYCTZYEPC-INIZCTEOSA-N 0 3 280.456 3.290 20 30 CGEDHN N#Cc1ccc(-c2cncc(CN3CCCCC3)c2)c(N)c1 ZINC001244091266 960417161 /nfs/dbraw/zinc/41/71/61/960417161.db2.gz MIUOYZUYKZEKRS-UHFFFAOYSA-N 0 3 292.386 3.188 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)Cc1cccc(Cl)c1 ZINC001574901480 960469903 /nfs/dbraw/zinc/46/99/03/960469903.db2.gz JSQKCNHBWNUPAU-HNNXBMFYSA-N 0 3 294.826 3.372 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001571565065 960470909 /nfs/dbraw/zinc/47/09/09/960470909.db2.gz QFIDEHRWZOTCFO-ZIAGYGMSSA-N 0 3 298.446 3.163 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccc(C)s1)C(C)C ZINC001571609671 960471903 /nfs/dbraw/zinc/47/19/03/960471903.db2.gz PGKLEJIDNZLZFS-UHFFFAOYSA-N 0 3 280.437 3.025 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@@H](OC)CC[C@H]1C ZINC001577426406 960476452 /nfs/dbraw/zinc/47/64/52/960476452.db2.gz NJWLYHDAIDCIFT-PMPSAXMXSA-N 0 3 298.471 3.090 20 30 CGEDHN C=CC[C@H](C(=O)N[C@H]1CCN(CC=C)[C@@H]1C)c1ccccc1 ZINC001566114612 960879168 /nfs/dbraw/zinc/87/91/68/960879168.db2.gz LCOUIPCHYOTFNP-NJAFHUGGSA-N 0 3 298.430 3.111 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1csc(C)c1 ZINC001567555799 961364576 /nfs/dbraw/zinc/36/45/76/961364576.db2.gz DMNITXYZNFXFJG-INIZCTEOSA-N 0 3 294.464 3.207 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)/C(C)=C\CC)c1ccccc1 ZINC001567656465 961377795 /nfs/dbraw/zinc/37/77/95/961377795.db2.gz PEXNRLWAEPFVDT-KAKTVLCNSA-N 0 3 286.419 3.366 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](C)C(C)(C)C)C(C)C ZINC001568454171 961581178 /nfs/dbraw/zinc/58/11/78/961581178.db2.gz GMHZGBUJOWUMMP-STQMWFEESA-N 0 3 288.863 3.152 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C(C)C ZINC001568454168 961584058 /nfs/dbraw/zinc/58/40/58/961584058.db2.gz GMHZGBUJOWUMMP-CHWSQXEVSA-N 0 3 288.863 3.152 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1CC ZINC001569109492 961690273 /nfs/dbraw/zinc/69/02/73/961690273.db2.gz SZODCKLYLGCDSJ-HNNXBMFYSA-N 0 3 288.435 3.152 20 30 CGEDHN CC#CCNC1(CNC(=O)c2ccc([C@H](C)CC)cc2)CC1 ZINC001569432706 961768684 /nfs/dbraw/zinc/76/86/84/961768684.db2.gz YUDISLHWUMWVDX-OAHLLOKOSA-N 0 3 298.430 3.075 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1ccco1)c1ccccc1CC ZINC001569800979 961840003 /nfs/dbraw/zinc/84/00/03/961840003.db2.gz XMHJEVGMWACKPZ-MRXNPFEDSA-N 0 3 298.386 3.089 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001570022483 961882886 /nfs/dbraw/zinc/88/28/86/961882886.db2.gz VKZCWKNXSAVUOG-JSGCOSHPSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C[C@H](F)CC)CC1 ZINC001570181024 961911843 /nfs/dbraw/zinc/91/18/43/961911843.db2.gz BHIGPEPOQVQZNT-CABCVRRESA-N 0 3 298.446 3.308 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC(=C)C ZINC001570521018 961984961 /nfs/dbraw/zinc/98/49/61/961984961.db2.gz ZCYUQEQZKGYMRQ-IAGOWNOFSA-N 0 3 298.430 3.147 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001571027966 962120161 /nfs/dbraw/zinc/12/01/61/962120161.db2.gz BJYUHCUMBSOICZ-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCC(CC)(CC)CC1 ZINC001574851226 962324030 /nfs/dbraw/zinc/32/40/30/962324030.db2.gz CFORPYNEEDPSAC-CYBMUJFWSA-N 0 3 286.847 3.322 20 30 CGEDHN C=CCCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001587021333 963166706 /nfs/dbraw/zinc/16/67/06/963166706.db2.gz JSIZTGIXGNXDEH-KRWDZBQOSA-N 0 3 298.446 3.452 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CCC ZINC001588647764 963299263 /nfs/dbraw/zinc/29/92/63/963299263.db2.gz BLLDYNJEPMWRRY-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CCC ZINC001588647764 963299271 /nfs/dbraw/zinc/29/92/71/963299271.db2.gz BLLDYNJEPMWRRY-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CCC ZINC001588647764 963299280 /nfs/dbraw/zinc/29/92/80/963299280.db2.gz BLLDYNJEPMWRRY-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CCC ZINC001588647764 963299295 /nfs/dbraw/zinc/29/92/95/963299295.db2.gz BLLDYNJEPMWRRY-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCC[C@@H]2OC(F)F)c1F ZINC000337428466 214076754 /nfs/dbraw/zinc/07/67/54/214076754.db2.gz UCZFMJIEDKUVOQ-OLZOCXBDSA-N 0 3 298.308 3.337 20 30 CGEDHN C=CCN(Cc1cccc(Cl)c1)[C@@H](C)COC ZINC000621317488 349494724 /nfs/dbraw/zinc/49/47/24/349494724.db2.gz GLBWKHAZPQCOGO-LBPRGKRZSA-N 0 3 253.773 3.363 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2c1cc(F)cc2F ZINC000651452846 398246310 /nfs/dbraw/zinc/24/63/10/398246310.db2.gz DAINFBRHPYWRHN-XHSDSOJGSA-N 0 3 279.330 3.275 20 30 CGEDHN N#Cc1ccncc1N1CCN(CCC2CCCCC2)CC1 ZINC000590012442 346821837 /nfs/dbraw/zinc/82/18/37/346821837.db2.gz TYNVPTUATKSEBH-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cncc(OCC)c2)C1 ZINC000621732052 349572231 /nfs/dbraw/zinc/57/22/31/349572231.db2.gz LQSHXJKHSWYKOV-CQSZACIVSA-N 0 3 260.381 3.268 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cn3cccc(C)c3n2)C1 ZINC000651752587 398282407 /nfs/dbraw/zinc/28/24/07/398282407.db2.gz LXFXIEHMHXZOKF-GJZGRUSLSA-N 0 3 269.392 3.477 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000337859719 214289459 /nfs/dbraw/zinc/28/94/59/214289459.db2.gz AXIBNIGGUWTGQY-HZPDHXFCSA-N 0 3 299.399 3.025 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2noc3c2CCCC3)C1 ZINC000651813094 398291090 /nfs/dbraw/zinc/29/10/90/398291090.db2.gz WUSRXDMSUYOFTR-OLZOCXBDSA-N 0 3 260.381 3.388 20 30 CGEDHN COc1ccc(CN2C[C@@H](C)CC[C@@H]2C)cc1C#N ZINC000088704606 536860513 /nfs/dbraw/zinc/86/05/13/536860513.db2.gz JFLRDSNAXDAVPU-STQMWFEESA-N 0 3 258.365 3.187 20 30 CGEDHN N#Cc1cnccc1CN1CCC[C@@H]1Cc1ccccc1 ZINC000592058652 346958361 /nfs/dbraw/zinc/95/83/61/346958361.db2.gz JPJFFWFUCHGNDE-GOSISDBHSA-N 0 3 277.371 3.160 20 30 CGEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccncc1C#N ZINC000592072885 346960347 /nfs/dbraw/zinc/96/03/47/346960347.db2.gz QGKLLVPVGAJSHX-XJKCOSOUSA-N 0 3 255.365 3.106 20 30 CGEDHN CC(C)N(Cc1ccncc1C#N)C1CCCCC1 ZINC000592080471 346961504 /nfs/dbraw/zinc/96/15/04/346961504.db2.gz PTROJSJXRJUMKS-UHFFFAOYSA-N 0 3 257.381 3.496 20 30 CGEDHN C[C@@H]1CC2(CN1Cc1ccc(F)c(C#N)c1)CCOCC2 ZINC000592181544 346969451 /nfs/dbraw/zinc/96/94/51/346969451.db2.gz HPTCSCZJFUSBIR-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CO1 ZINC000592366174 346979560 /nfs/dbraw/zinc/97/95/60/346979560.db2.gz ZUEXBUBEQHPBNE-RDTXWAMCSA-N 0 3 292.382 3.492 20 30 CGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)CC(F)F ZINC000592825936 347018018 /nfs/dbraw/zinc/01/80/18/347018018.db2.gz LVOYFLYBOXBKKQ-GXTWGEPZSA-N 0 3 294.345 3.166 20 30 CGEDHN CC(C#N)C(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592900644 347020171 /nfs/dbraw/zinc/02/01/71/347020171.db2.gz HLBLOUWBICRTRW-UKRRQHHQSA-N 0 3 266.344 3.066 20 30 CGEDHN C[C@@H](N[C@@H]1CNc2ccccc2C1)c1ccc(C#N)cc1F ZINC000593319574 347062230 /nfs/dbraw/zinc/06/22/30/347062230.db2.gz NYGIUZWJVYXLBP-DOMZBBRYSA-N 0 3 295.361 3.385 20 30 CGEDHN COc1ccc([C@@H]2CCCN2CCCC#N)cc1OC ZINC000045915166 345031998 /nfs/dbraw/zinc/03/19/98/345031998.db2.gz LAZCVCCTDXWSQM-AWEZNQCLSA-N 0 3 274.364 3.144 20 30 CGEDHN CN(CCOc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000053421375 345120204 /nfs/dbraw/zinc/12/02/04/345120204.db2.gz PRRLVQFREXXQTP-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN CN(CC(=O)N(CCC#N)c1ccccc1)CC1CCCC1 ZINC000064021472 345256248 /nfs/dbraw/zinc/25/62/48/345256248.db2.gz BNRXEECIFLBHSZ-UHFFFAOYSA-N 0 3 299.418 3.055 20 30 CGEDHN C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000063302867 345245809 /nfs/dbraw/zinc/24/58/09/345245809.db2.gz HGPIUVPQMPQQNW-CQSZACIVSA-N 0 3 267.376 3.433 20 30 CGEDHN CCCN(Cc1cn2ccccc2c1C#N)CC1CC1 ZINC000058563099 345197077 /nfs/dbraw/zinc/19/70/77/345197077.db2.gz KWLLHZQWIISPFT-UHFFFAOYSA-N 0 3 267.376 3.433 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623959155 349928288 /nfs/dbraw/zinc/92/82/88/349928288.db2.gz IMCXXFZOHIGAPY-ONGXEEELSA-N 0 3 291.288 3.432 20 30 CGEDHN CC(C(=O)Nc1sc2c(c1C#N)CCC2)C(F)(F)F ZINC000073851373 345452742 /nfs/dbraw/zinc/45/27/42/345452742.db2.gz YZCGUGZWYQSXMF-ZCFIWIBFSA-N 0 3 288.294 3.245 20 30 CGEDHN CC[C@H](C)[C@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305828208 201819985 /nfs/dbraw/zinc/81/99/85/201819985.db2.gz RYLPYQCMMHTTQM-HWWQOWPSSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H](NC[C@H](O)CCc1ccccc1)c1cccc(C#N)c1 ZINC000273252388 192088993 /nfs/dbraw/zinc/08/89/93/192088993.db2.gz LBUFLOOXXZAKAT-DNVCBOLYSA-N 0 3 294.398 3.203 20 30 CGEDHN CC(C(=O)Nc1nncn1Cc1ccccc1)C(F)(F)F ZINC000080362157 345672403 /nfs/dbraw/zinc/67/24/03/345672403.db2.gz ZUQLKAWJQBHCNI-SECBINFHSA-N 0 3 298.268 3.113 20 30 CGEDHN CC1(C)CCN1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093460227 345879886 /nfs/dbraw/zinc/87/98/86/345879886.db2.gz DQCKAAKQAWCLKO-UHFFFAOYSA-N 0 3 294.402 3.448 20 30 CGEDHN C=CC[C@@H](C)NCc1csc(-c2ccccn2)n1 ZINC000116927557 345980378 /nfs/dbraw/zinc/98/03/78/345980378.db2.gz KQMAWLFQGUFPOL-LLVKDONJSA-N 0 3 259.378 3.259 20 30 CGEDHN C=CC[C@H](C)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000134747206 346083823 /nfs/dbraw/zinc/08/38/23/346083823.db2.gz KGDLOVYCBPIBHQ-NWDGAFQWSA-N 0 3 261.365 3.073 20 30 CGEDHN C[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000155423516 346153359 /nfs/dbraw/zinc/15/33/59/346153359.db2.gz MKJMFNKAWRLCQY-LRTDBIEQSA-N 0 3 298.411 3.146 20 30 CGEDHN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000164467832 346182435 /nfs/dbraw/zinc/18/24/35/346182435.db2.gz BTWYGGAGESKANQ-NSHDSACASA-N 0 3 297.324 3.107 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCS[C@H](C)[C@@H]1C ZINC000165509002 346184961 /nfs/dbraw/zinc/18/49/61/346184961.db2.gz MZPFAPSVWKELME-QWHCGFSZSA-N 0 3 260.406 3.193 20 30 CGEDHN Cc1ccccc1O[C@H](C)CNCc1cccc(C#N)c1 ZINC000174590721 346244173 /nfs/dbraw/zinc/24/41/73/346244173.db2.gz CQTXAQHFOORJPX-OAHLLOKOSA-N 0 3 280.371 3.424 20 30 CGEDHN C=CCN1CCC(NC(=O)CC2CCCCCC2)CC1 ZINC000176285446 346249115 /nfs/dbraw/zinc/24/91/15/346249115.db2.gz VXHOHDXJWNUIJM-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C[C@@H](NCCOc1ccccc1)c1ccc(OCC#N)cc1 ZINC000194189453 346270528 /nfs/dbraw/zinc/27/05/28/346270528.db2.gz VESAYERTXZGHPI-OAHLLOKOSA-N 0 3 296.370 3.319 20 30 CGEDHN CN(CCN1CCCCC1)c1cc(C#N)c2ccccc2n1 ZINC000593517412 347089598 /nfs/dbraw/zinc/08/95/98/347089598.db2.gz TYGPPTWOZISAKK-UHFFFAOYSA-N 0 3 294.402 3.029 20 30 CGEDHN Cc1nn(-c2cccc(C)c2)cc1CNCC1(CC#N)CC1 ZINC000593621303 347096808 /nfs/dbraw/zinc/09/68/08/347096808.db2.gz HXTJZYVDIQIGQF-UHFFFAOYSA-N 0 3 294.402 3.273 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000335999278 346497695 /nfs/dbraw/zinc/49/76/95/346497695.db2.gz NPQCCLPZZXUIDR-ZWNOBZJWSA-N 0 3 262.740 3.163 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000397653004 346584247 /nfs/dbraw/zinc/58/42/47/346584247.db2.gz UMQSTFBVWJZQEJ-QWHCGFSZSA-N 0 3 256.340 3.438 20 30 CGEDHN CS[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449446777 346619081 /nfs/dbraw/zinc/61/90/81/346619081.db2.gz TXTJLMHHGLGQPD-INIZCTEOSA-N 0 3 290.432 3.306 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(F)cc1 ZINC000491710146 346629593 /nfs/dbraw/zinc/62/95/93/346629593.db2.gz SUBGNHQTOANXPM-CENPHQPOSA-N 0 3 287.378 3.293 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cc3c(s2)CCCC3)C1 ZINC000584568796 346683523 /nfs/dbraw/zinc/68/35/23/346683523.db2.gz QANINZXLBBWWRR-AAEUAGOBSA-N 0 3 260.406 3.409 20 30 CGEDHN CCCN(CCN1CCCCC1)C(=O)CCCCCC#N ZINC000588765387 346767998 /nfs/dbraw/zinc/76/79/98/346767998.db2.gz KFBCNYICGFKJMO-UHFFFAOYSA-N 0 3 293.455 3.185 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1ccc(C(=O)OCC)o1 ZINC000589198110 346789783 /nfs/dbraw/zinc/78/97/83/346789783.db2.gz ULDZTPORQLDTSV-RYUDHWBXSA-N 0 3 265.353 3.147 20 30 CGEDHN CC(C)(C)OCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032504 347140743 /nfs/dbraw/zinc/14/07/43/347140743.db2.gz VNJFFMNKJXVPRY-UHFFFAOYSA-N 0 3 272.392 3.342 20 30 CGEDHN C[C@H]1CC[C@@](C)(CNC[C@@H](C#N)CCC#N)C1(C)C ZINC000594713000 347212843 /nfs/dbraw/zinc/21/28/43/347212843.db2.gz SBDGPXBZOLAKGX-LZWOXQAQSA-N 0 3 261.413 3.482 20 30 CGEDHN CC(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594424661 347173759 /nfs/dbraw/zinc/17/37/59/347173759.db2.gz HSDBTCZNZOFBRH-HNNXBMFYSA-N 0 3 273.380 3.160 20 30 CGEDHN CCc1ccc(CC)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594446708 347174879 /nfs/dbraw/zinc/17/48/79/347174879.db2.gz WQUKGMNMONUOIR-HNNXBMFYSA-N 0 3 287.407 3.161 20 30 CGEDHN C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594435286 347174895 /nfs/dbraw/zinc/17/48/95/347174895.db2.gz AOINXFCMXXKDIQ-GDBMZVCRSA-N 0 3 299.418 3.328 20 30 CGEDHN COC(=O)c1ccc2c(c1)[C@H](NCC1(CC#N)CC1)CCC2 ZINC000594504642 347180942 /nfs/dbraw/zinc/18/09/42/347180942.db2.gz QOYDUXPHFVHDMO-MRXNPFEDSA-N 0 3 298.386 3.134 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@@H]1CCCCO1 ZINC000594519760 347188118 /nfs/dbraw/zinc/18/81/18/347188118.db2.gz LFCOXBICWUQWER-KGLIPLIRSA-N 0 3 264.394 3.057 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000594995499 347251908 /nfs/dbraw/zinc/25/19/08/347251908.db2.gz MOYWJZUXMWXPKF-KRWDZBQOSA-N 0 3 290.382 3.382 20 30 CGEDHN COCc1csc(CNCc2cccc(C#N)c2)c1 ZINC000594915748 347228816 /nfs/dbraw/zinc/22/88/16/347228816.db2.gz WLWBEYPRUZDNTR-UHFFFAOYSA-N 0 3 272.373 3.056 20 30 CGEDHN CC(C)CCOCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594916731 347228905 /nfs/dbraw/zinc/22/89/05/347228905.db2.gz BIACFPAJPKLRPM-UHFFFAOYSA-N 0 3 286.419 3.394 20 30 CGEDHN N#Cc1ccc(CCNCc2scnc2C2CC2)cc1 ZINC000594956660 347239901 /nfs/dbraw/zinc/23/99/01/347239901.db2.gz XWYZRCIWFMGXMA-UHFFFAOYSA-N 0 3 283.400 3.224 20 30 CGEDHN C=CCCSCCNCc1cnc([C@H]2CCCO2)s1 ZINC000594960471 347241790 /nfs/dbraw/zinc/24/17/90/347241790.db2.gz QUWQNULDNQPWJY-CYBMUJFWSA-N 0 3 298.477 3.394 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C#N)cs1 ZINC000594962827 347243217 /nfs/dbraw/zinc/24/32/17/347243217.db2.gz KXVCNPVZHIUWPS-DGCLKSJQSA-N 0 3 261.394 3.239 20 30 CGEDHN N#Cc1ccc(CCN2CCc3sccc3C2)cc1 ZINC000595285877 347286270 /nfs/dbraw/zinc/28/62/70/347286270.db2.gz AUEZFPGSVYHHJO-UHFFFAOYSA-N 0 3 268.385 3.221 20 30 CGEDHN N#Cc1ccc(CCN2CCc3ccsc3C2)cc1 ZINC000595404321 347299153 /nfs/dbraw/zinc/29/91/53/347299153.db2.gz UUCCOWBFZUKSGD-UHFFFAOYSA-N 0 3 268.385 3.221 20 30 CGEDHN N#Cc1ccc(CCN[C@H]2CCCc3cccnc32)cc1 ZINC000595055194 347270717 /nfs/dbraw/zinc/27/07/17/347270717.db2.gz AOFRHXJYBKQVAO-KRWDZBQOSA-N 0 3 277.371 3.163 20 30 CGEDHN CCc1cccnc1[C@H](C)NCCc1ccc(C#N)cc1 ZINC000595055733 347271582 /nfs/dbraw/zinc/27/15/82/347271582.db2.gz IFTHPILYDYYMON-AWEZNQCLSA-N 0 3 279.387 3.409 20 30 CGEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ccncc1Cl ZINC000595056787 347271717 /nfs/dbraw/zinc/27/17/17/347271717.db2.gz WJQIADBTNUQOPO-GFCCVEGCSA-N 0 3 285.778 3.500 20 30 CGEDHN C[C@@H](N[C@H]1CCN(C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000595056876 347272288 /nfs/dbraw/zinc/27/22/88/347272288.db2.gz SAHTXWHVFXQUPA-OCCSQVGLSA-N 0 3 289.398 3.221 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C1CCC1 ZINC000595413997 347300399 /nfs/dbraw/zinc/30/03/99/347300399.db2.gz ZIJUGKZQTAYALF-BLLLJJGKSA-N 0 3 258.365 3.024 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000595058325 347273307 /nfs/dbraw/zinc/27/33/07/347273307.db2.gz HPAHODBLDURFEA-LBPRGKRZSA-N 0 3 279.405 3.375 20 30 CGEDHN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1ccc(C#N)c(F)c1 ZINC000595082800 347279887 /nfs/dbraw/zinc/27/98/87/347279887.db2.gz XYUIMPHRJLZWGG-LALPHHSUSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@@]1(C)CCCO1 ZINC000595091593 347280905 /nfs/dbraw/zinc/28/09/05/347280905.db2.gz RSQKXUYNGHBPEP-UONOGXRCSA-N 0 3 250.386 3.008 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1occc1C(=O)OC ZINC000595605402 347325581 /nfs/dbraw/zinc/32/55/81/347325581.db2.gz XVIRBSBGYALGNH-JSGCOSHPSA-N 0 3 277.364 3.291 20 30 CGEDHN N#CC[C@H]1CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000595611725 347326217 /nfs/dbraw/zinc/32/62/17/347326217.db2.gz NMAPPGBYHNFHPF-CYBMUJFWSA-N 0 3 278.783 3.344 20 30 CGEDHN CC(C)(C)OC(=O)CCCCN1CCC[C@H](CC#N)C1 ZINC000595620256 347328716 /nfs/dbraw/zinc/32/87/16/347328716.db2.gz LEAPIWMBJJSHHO-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN CC(C)(C)OC(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595635918 347331233 /nfs/dbraw/zinc/33/12/33/347331233.db2.gz PIHDQEZOAGAMRB-UHFFFAOYSA-N 0 3 288.391 3.115 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000595661392 347335696 /nfs/dbraw/zinc/33/56/96/347335696.db2.gz ZYUPLCPWZIFOBX-ZDUSSCGKSA-N 0 3 277.364 3.163 20 30 CGEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000595679800 347336569 /nfs/dbraw/zinc/33/65/69/347336569.db2.gz YKWIRYKBGPMZOB-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1cccc(C2(N[C@H]3C=CCCC3)CCOCC2)c1 ZINC000595765689 347353155 /nfs/dbraw/zinc/35/31/55/347353155.db2.gz UKVQLLNIDLMGFK-KRWDZBQOSA-N 0 3 282.387 3.262 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781892 347355064 /nfs/dbraw/zinc/35/50/64/347355064.db2.gz UZWWGIYCJHBSHK-HZSPNIEDSA-N 0 3 258.365 3.119 20 30 CGEDHN Cc1noc(C)c1C(C)(C)NCCc1ccc(C#N)cc1 ZINC000595482635 347310205 /nfs/dbraw/zinc/31/02/05/347310205.db2.gz HYDSYDCCODWUMN-UHFFFAOYSA-N 0 3 283.375 3.231 20 30 CGEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)CCC1(F)F ZINC000595490379 347310648 /nfs/dbraw/zinc/31/06/48/347310648.db2.gz QXQLZYLSLMLMDC-GFCCVEGCSA-N 0 3 264.319 3.078 20 30 CGEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1F ZINC000595856279 347368260 /nfs/dbraw/zinc/36/82/60/347368260.db2.gz AGLCSSXMNTWSDY-PHTAMDTFSA-N 0 3 258.340 3.460 20 30 CGEDHN CC(C)(C)N1CC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000596305886 347414197 /nfs/dbraw/zinc/41/41/97/347414197.db2.gz CAJLFIAZAZIEAQ-HNNXBMFYSA-N 0 3 298.434 3.117 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)C[C@H]1CC1(C)C ZINC000595910175 347371796 /nfs/dbraw/zinc/37/17/96/347371796.db2.gz RHJBTGIIELJQBG-CQSZACIVSA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000596995879 347525595 /nfs/dbraw/zinc/52/55/95/347525595.db2.gz NUWOEIFOWCJHII-CYBMUJFWSA-N 0 3 272.417 3.179 20 30 CGEDHN CC[C@H](Cc1ccc(Cl)cc1)NC[C@H](C)C#N ZINC000597082464 347534478 /nfs/dbraw/zinc/53/44/78/347534478.db2.gz KONLHFKTXKRWKN-BXUZGUMPSA-N 0 3 250.773 3.410 20 30 CGEDHN CC(C)(CCC#N)CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000597258690 347563835 /nfs/dbraw/zinc/56/38/35/347563835.db2.gz QXJWTWSXSWBKKV-UHFFFAOYSA-N 0 3 274.412 3.124 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@H](C)CC#N ZINC000597410557 347573885 /nfs/dbraw/zinc/57/38/85/347573885.db2.gz RBOUBVSHTJAHAP-AWEZNQCLSA-N 0 3 285.391 3.079 20 30 CGEDHN C=CCSCCNCc1ccc(Cl)c(OC)c1 ZINC000598961919 347700900 /nfs/dbraw/zinc/70/09/00/347700900.db2.gz CBHIPKUSSUZWCN-UHFFFAOYSA-N 0 3 271.813 3.357 20 30 CGEDHN CCC(F)(F)C(C)(C)CNCc1ccc(C#N)o1 ZINC000599001821 347705641 /nfs/dbraw/zinc/70/56/41/347705641.db2.gz WRKBRGSCZRFOSS-UHFFFAOYSA-N 0 3 256.296 3.312 20 30 CGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598589143 347667819 /nfs/dbraw/zinc/66/78/19/347667819.db2.gz RAFOYFRAOCPIRG-DGCLKSJQSA-N 0 3 295.452 3.054 20 30 CGEDHN Cc1ccc([C@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592120 347667853 /nfs/dbraw/zinc/66/78/53/347667853.db2.gz FXHOANYYHBMFPA-UONOGXRCSA-N 0 3 276.380 3.026 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)cc1F ZINC000599553098 347753505 /nfs/dbraw/zinc/75/35/05/347753505.db2.gz NCBQJEAOCYBZEU-KGLIPLIRSA-N 0 3 276.380 3.167 20 30 CGEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000600774758 347833124 /nfs/dbraw/zinc/83/31/24/347833124.db2.gz GYTYAPIDEFYEJY-SCLBCKFNSA-N 0 3 278.355 3.275 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCC12CC2 ZINC000600802221 347838035 /nfs/dbraw/zinc/83/80/35/347838035.db2.gz FOEYSHNCZBVZHU-IRXDYDNUSA-N 0 3 296.414 3.455 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000601287552 347888969 /nfs/dbraw/zinc/88/89/69/347888969.db2.gz JYOGNNHNXKQTDK-NODPJGRNSA-N 0 3 292.329 3.077 20 30 CGEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000601966625 347930627 /nfs/dbraw/zinc/93/06/27/347930627.db2.gz SGFSEBLKIODQQU-USXIJHARSA-N 0 3 267.376 3.356 20 30 CGEDHN C[C@]1(CCNCc2cccc(F)c2C#N)CC1(F)F ZINC000602029381 347934882 /nfs/dbraw/zinc/93/48/82/347934882.db2.gz VMUGFRDBPCJTRF-ZDUSSCGKSA-N 0 3 268.282 3.222 20 30 CGEDHN C[C@@H](CCC#N)CN(C)Cc1ccc(Br)o1 ZINC000602438778 347957896 /nfs/dbraw/zinc/95/78/96/347957896.db2.gz AECBUQVEAVDKHM-JTQLQIEISA-N 0 3 285.185 3.414 20 30 CGEDHN C[C@H](CCC#N)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000602475618 347964960 /nfs/dbraw/zinc/96/49/60/347964960.db2.gz LOZFTPCZWFHJDW-CRAIPNDOSA-N 0 3 284.403 3.100 20 30 CGEDHN CC(C)C[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602480772 347966324 /nfs/dbraw/zinc/96/63/24/347966324.db2.gz BTBZFNAJHWYJSC-CQSZACIVSA-N 0 3 257.381 3.211 20 30 CGEDHN CCc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)s1 ZINC000602515133 347974289 /nfs/dbraw/zinc/97/42/89/347974289.db2.gz NEDXPKPXLWRUDA-ZDUSSCGKSA-N 0 3 292.448 3.499 20 30 CGEDHN CCC(CC)[C@@H]1C[C@H](NCc2cccc(C#N)n2)CCO1 ZINC000602586932 347989430 /nfs/dbraw/zinc/98/94/30/347989430.db2.gz BILOZFVNQLCAJW-PBHICJAKSA-N 0 3 287.407 3.027 20 30 CGEDHN CC(C)[C@H](NC[C@H](C)CCC#N)c1nc(C2CC2)no1 ZINC000602593541 347990294 /nfs/dbraw/zinc/99/02/94/347990294.db2.gz JBCUAAJCIVRYKM-YPMHNXCESA-N 0 3 276.384 3.174 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCC(C)(C)C#N)C12CCC2 ZINC000602608187 347993109 /nfs/dbraw/zinc/99/31/09/347993109.db2.gz QVZFNRVWARONLU-CHWSQXEVSA-N 0 3 264.413 3.252 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000602610144 347993142 /nfs/dbraw/zinc/99/31/42/347993142.db2.gz GIAYBALQXGCRHX-MGPQQGTHSA-N 0 3 264.413 3.395 20 30 CGEDHN C[C@@H](CCC#N)CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000602639070 347998404 /nfs/dbraw/zinc/99/84/04/347998404.db2.gz ZHCULPLYMCHFEA-KBPBESRZSA-N 0 3 291.370 3.004 20 30 CGEDHN N#Cc1cccc(CNCC[C@@H]2CCc3ccccc32)n1 ZINC000602673719 348006706 /nfs/dbraw/zinc/00/67/06/348006706.db2.gz MPKJZJJFGPWBMI-HNNXBMFYSA-N 0 3 277.371 3.163 20 30 CGEDHN C=CCC1(CNCc2cc(C(=O)OCC)no2)CCCC1 ZINC000602684741 348009044 /nfs/dbraw/zinc/00/90/44/348009044.db2.gz SNQACNQLAZWLIJ-UHFFFAOYSA-N 0 3 292.379 3.077 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cccnc3CC2)CCCC1 ZINC000602697529 348011182 /nfs/dbraw/zinc/01/11/82/348011182.db2.gz AFBLIEZTNROIFH-HNNXBMFYSA-N 0 3 269.392 3.003 20 30 CGEDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)NCC2(C#N)CCC2)cc1 ZINC000602698446 348012079 /nfs/dbraw/zinc/01/20/79/348012079.db2.gz OMTVMQXQGMSHDY-IAOVAPTHSA-N 0 3 284.403 3.471 20 30 CGEDHN CCC[C@H](CNC1(c2ccc(C#N)cc2)CCC1)OC ZINC000602707143 348014064 /nfs/dbraw/zinc/01/40/64/348014064.db2.gz CTOVXMIVJVZTHM-MRXNPFEDSA-N 0 3 272.392 3.342 20 30 CGEDHN CCC[C@@H](CNC1(c2ccc(C#N)cc2)CCC1)OC ZINC000602707141 348014307 /nfs/dbraw/zinc/01/43/07/348014307.db2.gz CTOVXMIVJVZTHM-INIZCTEOSA-N 0 3 272.392 3.342 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)n1 ZINC000602720501 348017171 /nfs/dbraw/zinc/01/71/71/348017171.db2.gz IUPPUOCAGYUYCN-GVDBMIGSSA-N 0 3 295.773 3.035 20 30 CGEDHN CCC(F)(F)C(C)(C)CNCc1cccc(C#N)n1 ZINC000602724609 348018030 /nfs/dbraw/zinc/01/80/30/348018030.db2.gz INBQFXXGVGMKOO-UHFFFAOYSA-N 0 3 267.323 3.114 20 30 CGEDHN CN(Cc1cccc(C#N)n1)C[C@H]1CCc2ccccc21 ZINC000602726090 348018468 /nfs/dbraw/zinc/01/84/68/348018468.db2.gz ZHYHYKFKCKXEKU-OAHLLOKOSA-N 0 3 277.371 3.115 20 30 CGEDHN C[C@@H]1OCC[C@@H]1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000602787493 348029699 /nfs/dbraw/zinc/02/96/99/348029699.db2.gz TYDHDFQXRDERPZ-DZOHQFGASA-N 0 3 284.403 3.183 20 30 CGEDHN CCOc1ccc(CN(C)CC2(CC#N)CC2)cc1 ZINC000602761204 348024671 /nfs/dbraw/zinc/02/46/71/348024671.db2.gz VHMYMTMFOKTORK-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN CCO[C@@H](CCNCc1cccc(C#N)n1)C1CCCC1 ZINC000602563048 347983142 /nfs/dbraw/zinc/98/31/42/347983142.db2.gz DGELEFYAFBEKTP-KRWDZBQOSA-N 0 3 287.407 3.028 20 30 CGEDHN N#CCC1(CN(CCCO)Cc2cccc(Cl)c2)CC1 ZINC000602798847 348030567 /nfs/dbraw/zinc/03/05/67/348030567.db2.gz YAJDDNMVDAAUDF-UHFFFAOYSA-N 0 3 292.810 3.218 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC(C)(C)CO1 ZINC000602844669 348036382 /nfs/dbraw/zinc/03/63/82/348036382.db2.gz FUBKMIJYKZYYBH-CZUORRHYSA-N 0 3 272.392 3.366 20 30 CGEDHN C[C@H]1CN(CC2(CC#N)CC2)CCc2ccc(F)cc21 ZINC000602865945 348038116 /nfs/dbraw/zinc/03/81/16/348038116.db2.gz BSPDUVIRKZFJND-ZDUSSCGKSA-N 0 3 272.367 3.481 20 30 CGEDHN CC(C)(C#N)CCN1CCC(Nc2ccccc2C#N)CC1 ZINC000602900919 348041725 /nfs/dbraw/zinc/04/17/25/348041725.db2.gz OPHBSFZNJCMZHQ-UHFFFAOYSA-N 0 3 296.418 3.374 20 30 CGEDHN CCn1nc(C)c(CN(C)CCCC(C)(C)C#N)c1C ZINC000602926455 348045168 /nfs/dbraw/zinc/04/51/68/348045168.db2.gz RGSXQFVPKGKXQV-UHFFFAOYSA-N 0 3 276.428 3.282 20 30 CGEDHN C[C@H](CCC#N)N1CCC(Cc2nccs2)CC1 ZINC000602954012 348046942 /nfs/dbraw/zinc/04/69/42/348046942.db2.gz GCGAYPHCBNGJNA-GFCCVEGCSA-N 0 3 263.410 3.090 20 30 CGEDHN CN(CCCCC1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602982566 348051912 /nfs/dbraw/zinc/05/19/12/348051912.db2.gz UVWXAUHHDASDLT-JKSUJKDBSA-N 0 3 264.413 3.207 20 30 CGEDHN Cc1nccc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000603834022 348097468 /nfs/dbraw/zinc/09/74/68/348097468.db2.gz DBKTXDDENOSBFW-KRWDZBQOSA-N 0 3 292.386 3.036 20 30 CGEDHN CC(C)c1ccc(C(C)(C)NC(=O)C(C)C#N)cc1 ZINC000610426277 348382490 /nfs/dbraw/zinc/38/24/90/348382490.db2.gz OEJQOLNKZHGGIA-LBPRGKRZSA-N 0 3 258.365 3.321 20 30 CGEDHN Cc1ccc2ncc(CN[C@H](C)c3cccc(C#N)c3)n2c1 ZINC000610932076 348410718 /nfs/dbraw/zinc/41/07/18/348410718.db2.gz GEMBRKRZVCRXEJ-CQSZACIVSA-N 0 3 290.370 3.365 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2cccc(C#N)c2)c(C)n1 ZINC000611300157 348436705 /nfs/dbraw/zinc/43/67/05/348436705.db2.gz QIGQCGKEWZMRGT-CYBMUJFWSA-N 0 3 265.360 3.421 20 30 CGEDHN Cc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)c(C)n1 ZINC000611336059 348439114 /nfs/dbraw/zinc/43/91/14/348439114.db2.gz ACIHHJNGAILHRF-CQSZACIVSA-N 0 3 295.386 3.300 20 30 CGEDHN N#Cc1cccc(CN2CC(Cc3ccccc3)C2)c1 ZINC000611177938 348426425 /nfs/dbraw/zinc/42/64/25/348426425.db2.gz BZPCSZFANZPJNT-UHFFFAOYSA-N 0 3 262.356 3.233 20 30 CGEDHN N#Cc1csc(CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000611983768 348485019 /nfs/dbraw/zinc/48/50/19/348485019.db2.gz JELNHCNUZFNENI-CQSZACIVSA-N 0 3 283.400 3.079 20 30 CGEDHN N#CCCCOc1cccc(CN2CC=CCC2)c1 ZINC000611521147 348458263 /nfs/dbraw/zinc/45/82/63/348458263.db2.gz GRCWPNFQGJXNJZ-UHFFFAOYSA-N 0 3 256.349 3.131 20 30 CGEDHN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000612082853 348492169 /nfs/dbraw/zinc/49/21/69/348492169.db2.gz CKHDIPRRNRIXAN-MRXNPFEDSA-N 0 3 294.398 3.136 20 30 CGEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(N2CCCC2)n1 ZINC000613255884 348581417 /nfs/dbraw/zinc/58/14/17/348581417.db2.gz TWLAAXQVNVJJIT-NVXWUHKLSA-N 0 3 298.434 3.162 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1 ZINC000614996538 348706123 /nfs/dbraw/zinc/70/61/23/348706123.db2.gz JGWJSFMAMIKWDV-INIZCTEOSA-N 0 3 286.419 3.081 20 30 CGEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccccc2C#N)C1 ZINC000339503766 215215937 /nfs/dbraw/zinc/21/59/37/215215937.db2.gz GSCOHEOXJOADHN-KBXCAEBGSA-N 0 3 286.419 3.225 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccccc2C#N)C[C@H]1OC ZINC000339511952 215221857 /nfs/dbraw/zinc/22/18/57/215221857.db2.gz ZVSKGJLEJYXJAU-HZPDHXFCSA-N 0 3 272.392 3.242 20 30 CGEDHN C[C@H](NCC(C)(C)CCCO)c1ccc(C#N)cc1F ZINC000358567117 233156960 /nfs/dbraw/zinc/15/69/60/233156960.db2.gz JIASNYPUXFHNCP-LBPRGKRZSA-N 0 3 278.371 3.147 20 30 CGEDHN Cc1nc(CCN[C@H](C)c2ccc(C#N)cc2F)c(C)o1 ZINC000358568373 233157464 /nfs/dbraw/zinc/15/74/64/233157464.db2.gz KVIIWJIBQLGAKF-SNVBAGLBSA-N 0 3 287.338 3.196 20 30 CGEDHN CN(C)CCOc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000618574550 349109380 /nfs/dbraw/zinc/10/93/80/349109380.db2.gz BWJXIBMROHVHHY-GJZGRUSLSA-N 0 3 287.407 3.121 20 30 CGEDHN CC(C)CC[C@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000619511102 349255211 /nfs/dbraw/zinc/25/52/11/349255211.db2.gz IHCMFNRWAMFIDS-CJNGLKHVSA-N 0 3 260.381 3.006 20 30 CGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccsc1 ZINC000619782819 349284957 /nfs/dbraw/zinc/28/49/57/349284957.db2.gz LAONMSFBISMRDY-LBPRGKRZSA-N 0 3 299.399 3.299 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(OC)ccc2OC)C1 ZINC000625702114 350199784 /nfs/dbraw/zinc/19/97/84/350199784.db2.gz DCVAVAXOULGRFK-CYBMUJFWSA-N 0 3 261.365 3.102 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cn3c(cccc3C)n2)C1 ZINC000625704021 350200715 /nfs/dbraw/zinc/20/07/15/350200715.db2.gz RCSNTUBALKFAHK-AWEZNQCLSA-N 0 3 255.365 3.041 20 30 CGEDHN Fc1ccc(C#CCN2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625776167 350211533 /nfs/dbraw/zinc/21/15/33/350211533.db2.gz CWAZWGYLCHGSPL-CVEARBPZSA-N 0 3 275.392 3.147 20 30 CGEDHN C=CCC1(NCc2nnc(C(C)(C)C)[nH]2)CCCCC1 ZINC000625934560 350233111 /nfs/dbraw/zinc/23/31/11/350233111.db2.gz RSTFKZIRNBWCHJ-UHFFFAOYSA-N 0 3 276.428 3.471 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)c1cc(C)ccc1C ZINC000626019404 350248873 /nfs/dbraw/zinc/24/88/73/350248873.db2.gz XYRHKPLLTPWQMX-GOEBONIOSA-N 0 3 274.408 3.035 20 30 CGEDHN CCC(O)(CC)CN(C)CC#Cc1ccccc1Cl ZINC000626111388 350262159 /nfs/dbraw/zinc/26/21/59/350262159.db2.gz MQMXAEDWQPRMCO-UHFFFAOYSA-N 0 3 279.811 3.174 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000628406245 350529328 /nfs/dbraw/zinc/52/93/28/350529328.db2.gz FPJIJHPGBUYVSA-OAHLLOKOSA-N 0 3 297.402 3.279 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(OC)c(OCC)c2)C1 ZINC000628405543 350530123 /nfs/dbraw/zinc/53/01/23/350530123.db2.gz OBXUCQCDORKUDZ-CQSZACIVSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CC(C)(C)CCNCc1cnc2ccccc2n1 ZINC000628378796 350520683 /nfs/dbraw/zinc/52/06/83/350520683.db2.gz CBXLBMTWSVOTTC-UHFFFAOYSA-N 0 3 255.365 3.322 20 30 CGEDHN C=CCCCCNCc1ccncc1Br ZINC000631114126 350958863 /nfs/dbraw/zinc/95/88/63/350958863.db2.gz RCBDOSXAHDXSPK-UHFFFAOYSA-N 0 3 269.186 3.290 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000631262551 351011164 /nfs/dbraw/zinc/01/11/64/351011164.db2.gz GXDBPSGYZVDSMG-CHWSQXEVSA-N 0 3 271.282 3.292 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1ccccc1F ZINC000123182087 187076144 /nfs/dbraw/zinc/07/61/44/187076144.db2.gz YVCHMGOIKKJTDV-CHWSQXEVSA-N 0 3 251.345 3.146 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292110652 198166660 /nfs/dbraw/zinc/16/66/60/198166660.db2.gz HCGUSOKCHABJLO-PBHICJAKSA-N 0 3 293.370 3.168 20 30 CGEDHN C#CCN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000157198224 188303260 /nfs/dbraw/zinc/30/32/60/188303260.db2.gz MGWFOCXOFHJMHT-LLVKDONJSA-N 0 3 286.400 3.411 20 30 CGEDHN C=CCC[C@H](NCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000271717943 191288408 /nfs/dbraw/zinc/28/84/08/191288408.db2.gz KVZDTSWGCPJSMG-INIZCTEOSA-N 0 3 295.448 3.107 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000346334132 283027538 /nfs/dbraw/zinc/02/75/38/283027538.db2.gz JOONZDZIPZSWQB-RBSFLKMASA-N 0 3 292.423 3.122 20 30 CGEDHN COC1([C@@H](C)NCc2ccc(C#N)cc2Cl)CCC1 ZINC000412030057 235107156 /nfs/dbraw/zinc/10/71/56/235107156.db2.gz ZAPOHXBLCDYXFZ-LLVKDONJSA-N 0 3 278.783 3.259 20 30 CGEDHN N#Cc1cc(CN[C@@H](CCCO)c2ccccc2)ccc1F ZINC000271858188 191371181 /nfs/dbraw/zinc/37/11/81/191371181.db2.gz YXWUTDOPLSFCOC-SFHVURJKSA-N 0 3 298.361 3.301 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)s1 ZINC000369596580 283139771 /nfs/dbraw/zinc/13/97/71/283139771.db2.gz JLQDILJOKMZIEU-BZUAXINKSA-N 0 3 290.432 3.135 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000518286797 283148622 /nfs/dbraw/zinc/14/86/22/283148622.db2.gz LSBORQWWHRYRLE-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1COc3ccccc3C1)CC2 ZINC000353280073 283199358 /nfs/dbraw/zinc/19/93/58/283199358.db2.gz ZPXPSVLDKCQPFB-SJLPKXTDSA-N 0 3 290.366 3.139 20 30 CGEDHN N#Cc1ccccc1N1CCCN([C@H]2C=CCCC2)CC1 ZINC000171733275 283215973 /nfs/dbraw/zinc/21/59/73/283215973.db2.gz GCECQAROLWSNAQ-KRWDZBQOSA-N 0 3 281.403 3.179 20 30 CGEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(C#N)cc1 ZINC000093492265 138346083 /nfs/dbraw/zinc/34/60/83/138346083.db2.gz LNCWCNMBSJPRAE-LLVKDONJSA-N 0 3 267.357 3.342 20 30 CGEDHN COc1cccc([C@@H](C)NCc2cc(C#N)cs2)c1 ZINC000093492428 138346738 /nfs/dbraw/zinc/34/67/38/138346738.db2.gz ILIRKLUFZAWQMM-LLVKDONJSA-N 0 3 272.373 3.479 20 30 CGEDHN CSC[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192077750 138477616 /nfs/dbraw/zinc/47/76/16/138477616.db2.gz VHJZCYNELQDVFW-ZDUSSCGKSA-N 0 3 264.369 3.025 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccc1OC ZINC000233988909 138510829 /nfs/dbraw/zinc/51/08/29/138510829.db2.gz FSNCLBAKURJSHY-GOEBONIOSA-N 0 3 290.432 3.331 20 30 CGEDHN N#Cc1ccc(C2=CCN(CC3CCC(=O)CC3)CC2)cc1 ZINC000336199955 213019777 /nfs/dbraw/zinc/01/97/77/213019777.db2.gz XSDRXDJOXLPJRI-UHFFFAOYSA-N 0 3 294.398 3.407 20 30 CGEDHN Cc1cccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)c1C ZINC000298258899 200373790 /nfs/dbraw/zinc/37/37/90/200373790.db2.gz MAVDBTOVRCXQGE-IBGZPJMESA-N 0 3 294.398 3.341 20 30 CGEDHN Cc1ncsc1CCNC1(c2cccc(C#N)c2)CC1 ZINC000341973236 216173016 /nfs/dbraw/zinc/17/30/16/216173016.db2.gz QALIKKCWANDINW-UHFFFAOYSA-N 0 3 283.400 3.145 20 30 CGEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000177777333 189069098 /nfs/dbraw/zinc/06/90/98/189069098.db2.gz SVXHXPZRABAEPI-UHFFFAOYSA-N 0 3 292.398 3.072 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000178073798 189089322 /nfs/dbraw/zinc/08/93/22/189089322.db2.gz KRNRRHNJENRGBJ-JKSUJKDBSA-N 0 3 263.356 3.290 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1cc(F)ccc1F ZINC000179796246 189220773 /nfs/dbraw/zinc/22/07/73/189220773.db2.gz FCUDHQWPGLSVGP-DOMZBBRYSA-N 0 3 269.335 3.333 20 30 CGEDHN C[C@H](O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181564679 189300993 /nfs/dbraw/zinc/30/09/93/189300993.db2.gz HBIGDEYYZZLIHD-KBPBESRZSA-N 0 3 280.371 3.462 20 30 CGEDHN C[C@H]1CCCN(CCNc2c(Cl)cccc2C#N)C1 ZINC000301508362 201037474 /nfs/dbraw/zinc/03/74/74/201037474.db2.gz HRUZCBMCRFIGKX-LBPRGKRZSA-N 0 3 277.799 3.355 20 30 CGEDHN CN(C)CCN(Cc1ccccc1)c1cccc(F)c1C#N ZINC000301657741 201117912 /nfs/dbraw/zinc/11/79/12/201117912.db2.gz SMJWCBNZZZJTFX-UHFFFAOYSA-N 0 3 297.377 3.266 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000184270688 189381255 /nfs/dbraw/zinc/38/12/55/189381255.db2.gz WGCZROYTLVSVFA-SNVBAGLBSA-N 0 3 293.716 3.385 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000184281941 189381617 /nfs/dbraw/zinc/38/16/17/189381617.db2.gz FKCOMFFITNEINQ-CYBMUJFWSA-N 0 3 273.332 3.099 20 30 CGEDHN C[C@@]12CN(Cc3ccc(C#N)s3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449454451 239439385 /nfs/dbraw/zinc/43/93/85/239439385.db2.gz ZHXBDETWBYWPMZ-KOZAUXTDSA-N 0 3 270.401 3.264 20 30 CGEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342733446 216498427 /nfs/dbraw/zinc/49/84/27/216498427.db2.gz UCHHOYDVPWXKKI-ZDUSSCGKSA-N 0 3 276.343 3.057 20 30 CGEDHN CC(C)[C@@H](NCc1ccc(F)cc1C#N)[C@@H](CO)C(C)C ZINC000451615696 240335508 /nfs/dbraw/zinc/33/55/08/240335508.db2.gz QGVKXLBGQQTQBD-DLBZAZTESA-N 0 3 292.398 3.076 20 30 CGEDHN CN(Cc1ccc(F)c(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000121553482 370872484 /nfs/dbraw/zinc/87/24/84/370872484.db2.gz ANDRLEJWVZMIDO-GOSISDBHSA-N 0 3 298.361 3.253 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cc3ccccc3n2C)n1 ZINC000125052411 370930674 /nfs/dbraw/zinc/93/06/74/370930674.db2.gz KAHHRNHUAFNAAU-GFCCVEGCSA-N 0 3 295.367 3.433 20 30 CGEDHN C=C[C@@H](CC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000127054170 370948717 /nfs/dbraw/zinc/94/87/17/370948717.db2.gz SNCUZKYUUGOAHU-WMZOPIPTSA-N 0 3 298.430 3.043 20 30 CGEDHN C[C@H]1CCC[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000026468503 368859945 /nfs/dbraw/zinc/85/99/45/368859945.db2.gz MAQGNGTVHUTXTJ-BBRMVZONSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000037748944 369105348 /nfs/dbraw/zinc/10/53/48/369105348.db2.gz VBELNSITVJPGTK-ZDUSSCGKSA-N 0 3 261.328 3.281 20 30 CGEDHN N#Cc1ccc(CNCCc2ccsc2)c(F)c1 ZINC000049181519 369392526 /nfs/dbraw/zinc/39/25/26/369392526.db2.gz RMZWLZRJEIFDBR-UHFFFAOYSA-N 0 3 260.337 3.091 20 30 CGEDHN N#CCCCCNCc1cc(Br)ccc1F ZINC000049578507 369411236 /nfs/dbraw/zinc/41/12/36/369411236.db2.gz CDMMZNSLCRKOAI-UHFFFAOYSA-N 0 3 285.160 3.372 20 30 CGEDHN Cc1cc(F)ccc1CNCc1cccc(C#N)c1 ZINC000050576638 369441266 /nfs/dbraw/zinc/44/12/66/369441266.db2.gz FLAQANYDBUOWPM-UHFFFAOYSA-N 0 3 254.308 3.296 20 30 CGEDHN C=CCN(CC=C)CCC(=O)NCc1ccccc1Cl ZINC000051766980 369455186 /nfs/dbraw/zinc/45/51/86/369455186.db2.gz IBBPWEPEARWVID-UHFFFAOYSA-N 0 3 292.810 3.020 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)CCCC#N)C12CCCCC2 ZINC000127435055 370953224 /nfs/dbraw/zinc/95/32/24/370953224.db2.gz WSYLFLKQNRFPTE-HUUCEWRRSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OCC(C)C)C2)cc1 ZINC000537725201 376196636 /nfs/dbraw/zinc/19/66/36/376196636.db2.gz SAQSFSGGDONGQV-SFHVURJKSA-N 0 3 289.419 3.498 20 30 CGEDHN CC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000057683431 369545809 /nfs/dbraw/zinc/54/58/09/369545809.db2.gz JGJFSEYRBBGSOB-INIZCTEOSA-N 0 3 270.376 3.017 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H](O)c1ccc(F)cc1 ZINC000271864683 296149904 /nfs/dbraw/zinc/14/99/04/296149904.db2.gz LDHJJUYJKIORGM-JCGVRSQUSA-N 0 3 298.361 3.470 20 30 CGEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000079071912 369962640 /nfs/dbraw/zinc/96/26/40/369962640.db2.gz TVYHWWLYKDKFCK-CYBMUJFWSA-N 0 3 296.370 3.426 20 30 CGEDHN C=CCOc1ccc(CN(C)CCSC)cc1OC ZINC000093509539 370138661 /nfs/dbraw/zinc/13/86/61/370138661.db2.gz TXAIRLTUASIYAM-UHFFFAOYSA-N 0 3 281.421 3.055 20 30 CGEDHN C=C(C)COCCNCc1ccc2nc(C)ccc2c1 ZINC000097862085 370256278 /nfs/dbraw/zinc/25/62/78/370256278.db2.gz RXBHXRVDKLDFAU-UHFFFAOYSA-N 0 3 270.376 3.226 20 30 CGEDHN Cc1ccc(CN(C)CCOc2ccccc2C#N)s1 ZINC000102772992 370311071 /nfs/dbraw/zinc/31/10/71/370311071.db2.gz CMYTUGDUDIJLAH-UHFFFAOYSA-N 0 3 286.400 3.439 20 30 CGEDHN N#Cc1cc(F)ccc1CN(CC1CC1)CC1CC1 ZINC000115563324 370534642 /nfs/dbraw/zinc/53/46/42/370534642.db2.gz NBIOSVWWMKFQKX-UHFFFAOYSA-N 0 3 258.340 3.319 20 30 CGEDHN Cc1noc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000118394100 370613267 /nfs/dbraw/zinc/61/32/67/370613267.db2.gz TXRIAFAXBNSHQE-GFCCVEGCSA-N 0 3 296.374 3.190 20 30 CGEDHN CC(C)N(Cc1ccncc1)Cc1ccc(C#N)cc1 ZINC000130301807 371022788 /nfs/dbraw/zinc/02/27/88/371022788.db2.gz ONXZGTSETJXOPC-UHFFFAOYSA-N 0 3 265.360 3.364 20 30 CGEDHN CC[C@H](C)CN(CC)Cc1cc(C#N)ccc1OC ZINC000130484711 371037502 /nfs/dbraw/zinc/03/75/02/371037502.db2.gz GJMLZASXDLAPKE-ZDUSSCGKSA-N 0 3 260.381 3.435 20 30 CGEDHN C=CCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000132476756 371177760 /nfs/dbraw/zinc/17/77/60/371177760.db2.gz ZMXHOZURJMDQTN-KRWDZBQOSA-N 0 3 252.361 3.469 20 30 CGEDHN N#CCCCN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134809388 371365658 /nfs/dbraw/zinc/36/56/58/371365658.db2.gz WKIRFTQJPWRALM-HZPDHXFCSA-N 0 3 276.355 3.017 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136959219 371488092 /nfs/dbraw/zinc/48/80/92/371488092.db2.gz XHAYOAAPEHSZPB-JQHSSLGASA-N 0 3 285.435 3.179 20 30 CGEDHN C#CCCCCNCc1ccc(OC)cc1OC(F)F ZINC000150739647 371534482 /nfs/dbraw/zinc/53/44/82/371534482.db2.gz JTHWEBFOAZDYCF-UHFFFAOYSA-N 0 3 283.318 3.190 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000150876466 371544806 /nfs/dbraw/zinc/54/48/06/371544806.db2.gz BYMJGNGHLQSENH-KGLIPLIRSA-N 0 3 293.432 3.112 20 30 CGEDHN C=CCCCCCN(CCCO)Cc1ccccn1 ZINC000286745730 371547894 /nfs/dbraw/zinc/54/78/94/371547894.db2.gz DYTSYSOEKXDJBB-UHFFFAOYSA-N 0 3 262.397 3.012 20 30 CGEDHN CCN(CC#Cc1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289973303 371866801 /nfs/dbraw/zinc/86/68/01/371866801.db2.gz XEQNNOCNKXQUHE-QGZVFWFLSA-N 0 3 289.394 3.457 20 30 CGEDHN Cc1nc(CCN[C@H](C)c2ccc(C#N)cc2)c(C)o1 ZINC000344116014 217057027 /nfs/dbraw/zinc/05/70/27/217057027.db2.gz FTXSOLSKYABPLJ-LLVKDONJSA-N 0 3 269.348 3.056 20 30 CGEDHN CN(Cc1ccc(C#N)cc1F)C[C@H]1CC=CCC1 ZINC000344090662 217047478 /nfs/dbraw/zinc/04/74/78/217047478.db2.gz UVVLKVGGAGXORP-ZDUSSCGKSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N1CCCCC1 ZINC000156220243 371968579 /nfs/dbraw/zinc/96/85/79/371968579.db2.gz MBMAVIUIDLYVOK-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1ccc(C#N)s1 ZINC000290438448 371989685 /nfs/dbraw/zinc/98/96/85/371989685.db2.gz LSORIDCWBKLSGZ-SNVBAGLBSA-N 0 3 254.424 3.193 20 30 CGEDHN C[C@H](NCCn1cnc2ccccc21)c1ccc(C#N)cc1 ZINC000344153970 217077827 /nfs/dbraw/zinc/07/78/27/217077827.db2.gz YPFFVLOTSZQAML-AWEZNQCLSA-N 0 3 290.370 3.259 20 30 CGEDHN C=C(C)CN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158193805 372058011 /nfs/dbraw/zinc/05/80/11/372058011.db2.gz NYMRZXMGNOLKBI-UHFFFAOYSA-N 0 3 274.191 3.364 20 30 CGEDHN C[C@@H]1C[C@H](Nc2c(C#N)cnc3ccccc32)CN1C1CC1 ZINC000290529774 372010815 /nfs/dbraw/zinc/01/08/15/372010815.db2.gz DBSHZMABSFRPRV-OCCSQVGLSA-N 0 3 292.386 3.144 20 30 CGEDHN C=C1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291107303 372117506 /nfs/dbraw/zinc/11/75/06/372117506.db2.gz JZEZIQAGBFVCFH-CQSZACIVSA-N 0 3 285.309 3.391 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000425310226 372120628 /nfs/dbraw/zinc/12/06/28/372120628.db2.gz XRDRIXKWIKZHAS-ZIAGYGMSSA-N 0 3 292.423 3.427 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000424664143 372091608 /nfs/dbraw/zinc/09/16/08/372091608.db2.gz LMLSAKLKQVNYLP-HNNXBMFYSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCN(CCCOCC)Cc1ccc(OC)cc1 ZINC000159464870 372146152 /nfs/dbraw/zinc/14/61/52/372146152.db2.gz UBLPUHLGPCMBCL-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C=CCN(Cc1cccs1)CC(C)(C)COC ZINC000426051559 372148224 /nfs/dbraw/zinc/14/82/24/372148224.db2.gz UMGWVWUIVVSPCC-UHFFFAOYSA-N 0 3 253.411 3.409 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(N2CCCC2)nc1 ZINC000426540938 372163385 /nfs/dbraw/zinc/16/33/85/372163385.db2.gz AKWSZNRFXXNYIJ-MRXNPFEDSA-N 0 3 271.408 3.222 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000160138430 372217026 /nfs/dbraw/zinc/21/70/26/372217026.db2.gz NGJGXDQXSDXCRI-CYBMUJFWSA-N 0 3 285.372 3.314 20 30 CGEDHN C#CCOc1ccccc1CN1CCC(C)(OCC)CC1 ZINC000292715607 372200935 /nfs/dbraw/zinc/20/09/35/372200935.db2.gz DSFSSUVOHXZHHJ-UHFFFAOYSA-N 0 3 287.403 3.090 20 30 CGEDHN CC(C)N(Cc1cc(F)ccc1C#N)C1CCOCC1 ZINC000160566659 372257395 /nfs/dbraw/zinc/25/73/95/372257395.db2.gz YGCSNXMUZLGKJG-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN CCOC1(C)CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000428759821 372262918 /nfs/dbraw/zinc/26/29/18/372262918.db2.gz QFVZSEWLNAOTSY-UHFFFAOYSA-N 0 3 272.392 3.258 20 30 CGEDHN C=CCN1CC[C@@H](N(C(C)C)[C@H](C)c2ccccc2)C1=O ZINC000428864310 372272958 /nfs/dbraw/zinc/27/29/58/372272958.db2.gz SVJWNFZQIOEDJE-NVXWUHKLSA-N 0 3 286.419 3.245 20 30 CGEDHN COCCN(CCCC(C)C)Cc1ccc(C#N)cc1 ZINC000429049121 372309521 /nfs/dbraw/zinc/30/95/21/372309521.db2.gz OLTXMDMTRPRMJM-UHFFFAOYSA-N 0 3 274.408 3.443 20 30 CGEDHN COCC(C)(C)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000429246645 372327331 /nfs/dbraw/zinc/32/73/31/372327331.db2.gz HESKIHJXMACQCH-UHFFFAOYSA-N 0 3 298.333 3.016 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)cc1 ZINC000429706487 372377454 /nfs/dbraw/zinc/37/74/54/372377454.db2.gz GHHUMPVGQBGMKO-UHFFFAOYSA-N 0 3 266.816 3.280 20 30 CGEDHN CCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433233725 372583595 /nfs/dbraw/zinc/58/35/95/372583595.db2.gz QEDZGLPLRVSSFI-CQSZACIVSA-N 0 3 258.365 3.064 20 30 CGEDHN C[C@@H](N(C)C(=O)C(C#N)CCc1ccccc1)C1(C)CC1 ZINC000433366798 372598449 /nfs/dbraw/zinc/59/84/49/372598449.db2.gz SHYHPRUBFOKLFV-GDBMZVCRSA-N 0 3 284.403 3.406 20 30 CGEDHN C=CCCCCCN(C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000295252632 372717918 /nfs/dbraw/zinc/71/79/18/372717918.db2.gz GCBUJSXFUPALQH-UHFFFAOYSA-N 0 3 288.391 3.196 20 30 CGEDHN CN(Cc1ccc(F)cc1C#N)C(C1CC1)C1CC1 ZINC000171382011 372747536 /nfs/dbraw/zinc/74/75/36/372747536.db2.gz NJSIXFWWJLEFNC-UHFFFAOYSA-N 0 3 258.340 3.318 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(Cl)o1 ZINC000435738405 372800114 /nfs/dbraw/zinc/80/01/14/372800114.db2.gz AGGMWPZKOVUTGG-GXFFZTMASA-N 0 3 255.745 3.004 20 30 CGEDHN N#Cc1sc(NC2CCN(C3CCC3)CC2)nc1Cl ZINC000295934388 372964320 /nfs/dbraw/zinc/96/43/20/372964320.db2.gz HNQZEYJDJZLDHM-UHFFFAOYSA-N 0 3 296.827 3.097 20 30 CGEDHN Cc1nccn1-c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000442794823 373086828 /nfs/dbraw/zinc/08/68/28/373086828.db2.gz QKHKPGFQNUYSLN-DZGCQCFKSA-N 0 3 298.365 3.102 20 30 CGEDHN COc1cc(CN2C[C@@H](C)CC(C)(C)C2)ccc1C#N ZINC000442838482 373101009 /nfs/dbraw/zinc/10/10/09/373101009.db2.gz SUQHXQXJQWUWRY-ZDUSSCGKSA-N 0 3 272.392 3.435 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)C(C)(C)C ZINC000173211418 373108760 /nfs/dbraw/zinc/10/87/60/373108760.db2.gz MWLCLAPZVOLRDT-IUODEOHRSA-N 0 3 260.381 3.270 20 30 CGEDHN CC(C)CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000173573446 373160257 /nfs/dbraw/zinc/16/02/57/373160257.db2.gz CICGXJNRCDZYSY-UHFFFAOYSA-N 0 3 298.390 3.475 20 30 CGEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(C#N)cc1 ZINC000173435924 373140584 /nfs/dbraw/zinc/14/05/84/373140584.db2.gz YLTXAGUZWTVASP-KMFMINBZSA-N 0 3 297.402 3.150 20 30 CGEDHN COCC[C@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000344890782 217346320 /nfs/dbraw/zinc/34/63/20/217346320.db2.gz LWWLGVMTSLVWRS-CYBMUJFWSA-N 0 3 278.421 3.258 20 30 CGEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C ZINC000444673153 373230707 /nfs/dbraw/zinc/23/07/07/373230707.db2.gz IBLZWZZBBBDZDX-YOEHRIQHSA-N 0 3 299.418 3.397 20 30 CGEDHN CCc1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000174408861 373311301 /nfs/dbraw/zinc/31/13/01/373311301.db2.gz LNJUEFZXAVRAIQ-UHFFFAOYSA-N 0 3 254.333 3.046 20 30 CGEDHN N#Cc1ccc(CNCC2(c3cccc(F)c3)CC2)o1 ZINC000174420026 373313191 /nfs/dbraw/zinc/31/31/91/373313191.db2.gz HYNTZASJAITQCM-UHFFFAOYSA-N 0 3 270.307 3.112 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@H](O)Cc1ccccc1 ZINC000299375332 373523189 /nfs/dbraw/zinc/52/31/89/373523189.db2.gz LZNHXTWBJSMCBS-DNVCBOLYSA-N 0 3 294.398 3.155 20 30 CGEDHN COC[C@@H](Cc1ccccc1)NCc1ccc(C#N)cc1F ZINC000177858751 373717041 /nfs/dbraw/zinc/71/70/41/373717041.db2.gz GOIQMCKDJBBTCN-QGZVFWFLSA-N 0 3 298.361 3.045 20 30 CGEDHN N#Cc1cccc(NC[C@H]2CCCN2Cc2ccccc2)n1 ZINC000301271024 373723754 /nfs/dbraw/zinc/72/37/54/373723754.db2.gz KBCYDEAYNSPILO-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@H]2C=C)cc1Cl ZINC000449517239 373816252 /nfs/dbraw/zinc/81/62/52/373816252.db2.gz DZXVOMFOOQTWIZ-CABCVRRESA-N 0 3 293.794 3.338 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(SC)s1 ZINC000449548223 373830090 /nfs/dbraw/zinc/83/00/90/373830090.db2.gz LSQMOMBGFJFYAM-NEPJUHHUSA-N 0 3 269.435 3.293 20 30 CGEDHN CN(CCN(C)C1CC1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000302228041 373834993 /nfs/dbraw/zinc/83/49/93/373834993.db2.gz ALXYRVDGZBBFOO-UHFFFAOYSA-N 0 3 297.324 3.107 20 30 CGEDHN CN(CCN(C)C1CC1)c1ccc(C#N)cc1C(F)(F)F ZINC000302270890 373846139 /nfs/dbraw/zinc/84/61/39/373846139.db2.gz RWACTINJXQOPNZ-UHFFFAOYSA-N 0 3 297.324 3.107 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@@H](C)CN2CCCCCC2)c1 ZINC000302349963 373855626 /nfs/dbraw/zinc/85/56/26/373855626.db2.gz DBPGHBOGWZWDSV-AWEZNQCLSA-N 0 3 299.418 3.437 20 30 CGEDHN C=CCSCCN[C@@H](C)c1nc2ccccc2n1C ZINC000180162135 373971884 /nfs/dbraw/zinc/97/18/84/373971884.db2.gz UXCNQYCYFIWFJT-LBPRGKRZSA-N 0 3 275.421 3.143 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCCCC1 ZINC000450071039 373986506 /nfs/dbraw/zinc/98/65/06/373986506.db2.gz ASNGYQXMUAIBQG-CABCVRRESA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCOc2ccccc21 ZINC000181342170 374109223 /nfs/dbraw/zinc/10/92/23/374109223.db2.gz STHHAYQEHMRHAQ-OAHLLOKOSA-N 0 3 261.365 3.083 20 30 CGEDHN CCc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)ccn1 ZINC000450402629 374106546 /nfs/dbraw/zinc/10/65/46/374106546.db2.gz ABVCSAJCMPPWSK-GOSISDBHSA-N 0 3 293.370 3.094 20 30 CGEDHN C=CCC1(C(=O)N[C@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000450771941 374178441 /nfs/dbraw/zinc/17/84/41/374178441.db2.gz ZKHRFZNLAQLYGU-OAHLLOKOSA-N 0 3 290.451 3.280 20 30 CGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000181987754 374200798 /nfs/dbraw/zinc/20/07/98/374200798.db2.gz JQISRHVOMXNUCE-CQSZACIVSA-N 0 3 291.354 3.160 20 30 CGEDHN N#Cc1c(F)cccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309545618 374188350 /nfs/dbraw/zinc/18/83/50/374188350.db2.gz PDPMCDHICFNHQL-OAHLLOKOSA-N 0 3 295.361 3.384 20 30 CGEDHN N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000309583284 374188465 /nfs/dbraw/zinc/18/84/65/374188465.db2.gz PXTQLYXJKVTBEC-INIZCTEOSA-N 0 3 295.361 3.384 20 30 CGEDHN C=CCCCCNCc1ccn(-c2ccccc2)n1 ZINC000312018138 374265742 /nfs/dbraw/zinc/26/57/42/374265742.db2.gz VNPJQEZOMNYJGP-UHFFFAOYSA-N 0 3 255.365 3.318 20 30 CGEDHN C=C(C)CCNCc1cc(O)ccc1Br ZINC000315263064 374326929 /nfs/dbraw/zinc/32/69/29/374326929.db2.gz QNKLQKLRPBFIRH-UHFFFAOYSA-N 0 3 270.170 3.211 20 30 CGEDHN CC1CCN(CCNc2cc(C#N)c3ccccc3n2)CC1 ZINC000315494347 374329080 /nfs/dbraw/zinc/32/90/80/374329080.db2.gz CRQXSJMAXPQMGF-UHFFFAOYSA-N 0 3 294.402 3.250 20 30 CGEDHN CC[C@@H](C)N1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000316225431 374332114 /nfs/dbraw/zinc/33/21/14/374332114.db2.gz FCVZWWROHYPHTO-CQSZACIVSA-N 0 3 294.402 3.027 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C(C)(C)C)C1 ZINC000317334259 374340322 /nfs/dbraw/zinc/34/03/22/374340322.db2.gz AHGHHKPZUAFZDX-DZGCQCFKSA-N 0 3 299.418 3.253 20 30 CGEDHN CC(F)(F)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000453226080 374370710 /nfs/dbraw/zinc/37/07/10/374370710.db2.gz WRCUJSZVSMGHTR-ZDUSSCGKSA-N 0 3 250.292 3.180 20 30 CGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C2CC2)C1 ZINC000328985420 374398025 /nfs/dbraw/zinc/39/80/25/374398025.db2.gz ZRAKCCZIUMWETH-UKRRQHHQSA-N 0 3 289.423 3.290 20 30 CGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc2[nH]cnc2c1 ZINC000329840742 374436806 /nfs/dbraw/zinc/43/68/06/374436806.db2.gz JUMASVXWQBWKFQ-PHIMTYICSA-N 0 3 272.352 3.024 20 30 CGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329840742 374436811 /nfs/dbraw/zinc/43/68/11/374436811.db2.gz JUMASVXWQBWKFQ-PHIMTYICSA-N 0 3 272.352 3.024 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccccc2OC)cc1 ZINC000184287264 374512067 /nfs/dbraw/zinc/51/20/67/374512067.db2.gz MQVJYTWEUUESFM-KRWDZBQOSA-N 0 3 297.398 3.389 20 30 CGEDHN N#Cc1ccc(CNC2CCC(F)(F)CC2)c(F)c1 ZINC000334231167 206225854 /nfs/dbraw/zinc/22/58/54/206225854.db2.gz KZZLPZQTBLFPOO-UHFFFAOYSA-N 0 3 268.282 3.365 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000185221031 374612997 /nfs/dbraw/zinc/61/29/97/374612997.db2.gz RSGFIEZSOVFQOR-JKSUJKDBSA-N 0 3 290.382 3.379 20 30 CGEDHN C[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000334203396 374657262 /nfs/dbraw/zinc/65/72/62/374657262.db2.gz TYVZDTUTEBITKL-OCCSQVGLSA-N 0 3 288.366 3.450 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCOCC2)c(F)c1 ZINC000334202113 374657527 /nfs/dbraw/zinc/65/75/27/374657527.db2.gz RSQQZYKLEVZBDV-KRWDZBQOSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@@H](NCc1cc(C#N)ccc1F)[C@@H]1COc2ccccc21 ZINC000185571082 374689664 /nfs/dbraw/zinc/68/96/64/374689664.db2.gz UNEBJJUZTINPSG-WBMJQRKESA-N 0 3 296.345 3.352 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000185881404 374759975 /nfs/dbraw/zinc/75/99/75/374759975.db2.gz GJMBEMSWAYYTFD-GOEBONIOSA-N 0 3 280.375 3.044 20 30 CGEDHN C=CC[C@H](CO)N[C@H](CC)c1cccc(Cl)c1F ZINC000185988854 374781856 /nfs/dbraw/zinc/78/18/56/374781856.db2.gz SMKBPBJLGOHIRS-ZWNOBZJWSA-N 0 3 271.763 3.457 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Br)s1 ZINC000186688621 374898188 /nfs/dbraw/zinc/89/81/88/374898188.db2.gz DYEDQKOEWMUTES-BDAKNGLRSA-N 0 3 290.226 3.098 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186448676 374853785 /nfs/dbraw/zinc/85/37/85/374853785.db2.gz XFKDYZWENBPNSF-IBGZPJMESA-N 0 3 290.366 3.190 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1sc(C(C)C)nc1C ZINC000186708178 374903835 /nfs/dbraw/zinc/90/38/35/374903835.db2.gz WUQMSUWXMMSWES-ZYHUDNBSSA-N 0 3 268.426 3.163 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000470312651 374995573 /nfs/dbraw/zinc/99/55/73/374995573.db2.gz GOZOBKXXKFMGFV-SNVBAGLBSA-N 0 3 298.308 3.259 20 30 CGEDHN C=CCOCCCN1CCSC2(CCCCC2)C1 ZINC000470766958 374999604 /nfs/dbraw/zinc/99/96/04/374999604.db2.gz SVLYQOBMKADSAI-UHFFFAOYSA-N 0 3 269.454 3.331 20 30 CGEDHN C=C(C)[C@@H](NCCCC(=O)OC)c1ccc(F)c(F)c1 ZINC000187766347 375091307 /nfs/dbraw/zinc/09/13/07/375091307.db2.gz HVYHGUWFGQBSSH-OAHLLOKOSA-N 0 3 283.318 3.125 20 30 CGEDHN C=CCCCCCN1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000487908075 375282613 /nfs/dbraw/zinc/28/26/13/375282613.db2.gz LBPGJYLVYPKWFS-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN CC(C(=O)Nc1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000335737180 375388221 /nfs/dbraw/zinc/38/82/21/375388221.db2.gz CBWSQPSZZZDVEV-LURJTMIESA-N 0 3 276.645 3.349 20 30 CGEDHN Cn1cc(CNCc2ccc3ccccc3c2)cc1C#N ZINC000190881025 375545921 /nfs/dbraw/zinc/54/59/21/375545921.db2.gz XTJVCGXRTWZTGJ-UHFFFAOYSA-N 0 3 275.355 3.340 20 30 CGEDHN C=C(CC)CN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000495613495 375499919 /nfs/dbraw/zinc/49/99/19/375499919.db2.gz XFCXTVPIXKXFNS-UHFFFAOYSA-N 0 3 294.439 3.428 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCSC[C@@H](C)C1 ZINC000190484220 375514963 /nfs/dbraw/zinc/51/49/63/375514963.db2.gz CVDXBYRTSQVVBY-STQMWFEESA-N 0 3 260.406 3.304 20 30 CGEDHN Cc1cccc(C)c1OC[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000190864637 375544728 /nfs/dbraw/zinc/54/47/28/375544728.db2.gz MTYJYHUVNLPIQA-HNNXBMFYSA-N 0 3 297.402 3.071 20 30 CGEDHN CC(C)(C)CCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000496966484 375569959 /nfs/dbraw/zinc/56/99/59/375569959.db2.gz HADPHLQIFILORN-UHFFFAOYSA-N 0 3 289.398 3.256 20 30 CGEDHN CCC[C@]1(C)CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191379886 375621256 /nfs/dbraw/zinc/62/12/56/375621256.db2.gz XLUAFMKLTKXERS-MRXNPFEDSA-N 0 3 259.397 3.299 20 30 CGEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cc(C#N)n(C)c1 ZINC000191385804 375622563 /nfs/dbraw/zinc/62/25/63/375622563.db2.gz MWYZJIWBCSDZFR-BBRMVZONSA-N 0 3 297.377 3.414 20 30 CGEDHN C[C@@H]1N(Cc2cc(C#N)ccc2F)CCC12CCOCC2 ZINC000335996806 375603452 /nfs/dbraw/zinc/60/34/52/375603452.db2.gz OVWXNCXKWMRXNH-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN Cn1cc(CN(Cc2cccc(O)c2)CC2CC2)cc1C#N ZINC000191287061 375604223 /nfs/dbraw/zinc/60/42/23/375604223.db2.gz WQNQWYCTPBLZPS-UHFFFAOYSA-N 0 3 295.386 3.015 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCS[C@H](C)CC1 ZINC000192170504 375706906 /nfs/dbraw/zinc/70/69/06/375706906.db2.gz MMTIFGPKZHCDGT-OLZOCXBDSA-N 0 3 260.406 3.447 20 30 CGEDHN COc1cccc(C2=CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000336128553 375707683 /nfs/dbraw/zinc/70/76/83/375707683.db2.gz ZFDVXWZQQBNSTO-RHSMWYFYSA-N 0 3 282.387 3.477 20 30 CGEDHN Cc1ccc([C@@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000510383041 375785358 /nfs/dbraw/zinc/78/53/58/375785358.db2.gz SNVFRBQKFLJGOF-PBHICJAKSA-N 0 3 278.355 3.360 20 30 CGEDHN CC1(C#N)CCC(N[C@H]2COc3ccccc32)CC1 ZINC000336208495 375760129 /nfs/dbraw/zinc/76/01/29/375760129.db2.gz NVSAZZMAJXAHHY-UGWHAMFMSA-N 0 3 256.349 3.182 20 30 CGEDHN C[C@@H]1CSC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000512161991 375794989 /nfs/dbraw/zinc/79/49/89/375794989.db2.gz IMGWIXWTCSYLMD-BXUZGUMPSA-N 0 3 265.809 3.033 20 30 CGEDHN COC(=O)c1cccc(CN[C@@H]2CCCC2(C)C)c1C#N ZINC000521731704 375875584 /nfs/dbraw/zinc/87/55/84/375875584.db2.gz DPVLBJFJZBJPEL-OAHLLOKOSA-N 0 3 286.375 3.013 20 30 CGEDHN COc1cccc([C@H]2CN(CCCC#N)CC2(C)C)c1 ZINC000528620097 375907489 /nfs/dbraw/zinc/90/74/89/375907489.db2.gz NYDBPDXUEXLUBL-MRXNPFEDSA-N 0 3 272.392 3.424 20 30 CGEDHN CC(C)(C#N)CCCN1CCc2nc(C3CC3)ncc2C1 ZINC000528735579 375908393 /nfs/dbraw/zinc/90/83/93/375908393.db2.gz HDDGQFVZFXBPTN-UHFFFAOYSA-N 0 3 284.407 3.042 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](CC)c2cc(C)ccc2C)C1=O ZINC000528797644 375909956 /nfs/dbraw/zinc/90/99/56/375909956.db2.gz JDCASAARVOYXEV-IRXDYDNUSA-N 0 3 286.419 3.131 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC12CC2 ZINC000528906620 375914263 /nfs/dbraw/zinc/91/42/63/375914263.db2.gz FUCBBLULPVUGNU-CHWSQXEVSA-N 0 3 293.370 3.330 20 30 CGEDHN N#CCC1CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000529542669 375928808 /nfs/dbraw/zinc/92/88/08/375928808.db2.gz QUSJVBRZFLGSRE-UHFFFAOYSA-N 0 3 253.349 3.294 20 30 CGEDHN C=CCCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000530733781 375943284 /nfs/dbraw/zinc/94/32/84/375943284.db2.gz YUTGVLJDGNZAGJ-HUUCEWRRSA-N 0 3 265.397 3.006 20 30 CGEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)C(C)(C)C)C1=O ZINC000337145085 376100053 /nfs/dbraw/zinc/10/00/53/376100053.db2.gz DKDIUVODBCVRPR-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337278821 376187047 /nfs/dbraw/zinc/18/70/47/376187047.db2.gz HSNJJSABYSCMJF-NWDGAFQWSA-N 0 3 286.347 3.260 20 30 CGEDHN CCC(C)(C)c1ccc(CNC(=O)C(C)C#N)cc1 ZINC000337597205 376231419 /nfs/dbraw/zinc/23/14/19/376231419.db2.gz PLGKDTAZGRVVCC-LBPRGKRZSA-N 0 3 258.365 3.150 20 30 CGEDHN N#Cc1cccc(CN(CC2CC2)CC2CC2)c1F ZINC000223564283 376256654 /nfs/dbraw/zinc/25/66/54/376256654.db2.gz NVNWUDYEWQUKQL-UHFFFAOYSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(C#N)cc1 ZINC000223664580 376259458 /nfs/dbraw/zinc/25/94/58/376259458.db2.gz LMDVWKOVGVWZCH-GFCCVEGCSA-N 0 3 279.318 3.420 20 30 CGEDHN C[C@@H](N[C@H](CO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000540976563 376410750 /nfs/dbraw/zinc/41/07/50/376410750.db2.gz NXOFMQKUAOIPEE-SJKOYZFVSA-N 0 3 290.382 3.289 20 30 CGEDHN C=CCCN1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000338539357 376415837 /nfs/dbraw/zinc/41/58/37/376415837.db2.gz GAOKTVIODNWFCQ-OAHLLOKOSA-N 0 3 281.403 3.321 20 30 CGEDHN CCN(CC1CCC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000230316493 376506895 /nfs/dbraw/zinc/50/68/95/376506895.db2.gz YYJZLWDJEVGCGH-CYBMUJFWSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000542577306 376560440 /nfs/dbraw/zinc/56/04/40/376560440.db2.gz BPBHKYVQBWQCPE-ZFWWWQNUSA-N 0 3 277.795 3.096 20 30 CGEDHN COc1cc(CN(C)[C@H](C)CCSC)ccc1C#N ZINC000234804595 376619469 /nfs/dbraw/zinc/61/94/69/376619469.db2.gz QIXVHKICRKOFOT-GFCCVEGCSA-N 0 3 278.421 3.140 20 30 CGEDHN N#Cc1ccc(CNC2(C3CC3)CC2)c(OC(F)F)c1 ZINC000543454820 376646346 /nfs/dbraw/zinc/64/63/46/376646346.db2.gz MITVXBCBZCVNDY-UHFFFAOYSA-N 0 3 278.302 3.192 20 30 CGEDHN C[C@H](CNc1ncc(C#N)cc1Cl)N1CCCC[C@H]1C ZINC000339135586 376702275 /nfs/dbraw/zinc/70/22/75/376702275.db2.gz FKFWKYWAZBXQRA-VXGBXAGGSA-N 0 3 292.814 3.281 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/CN(C)C ZINC000264673250 190127770 /nfs/dbraw/zinc/12/77/70/190127770.db2.gz YZXORZIQFKLFSI-AATRIKPKSA-N 0 3 298.839 3.034 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000555413999 376856292 /nfs/dbraw/zinc/85/62/92/376856292.db2.gz ACVOKWLEXSOPHZ-KMFMINBZSA-N 0 3 285.366 3.495 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000247273317 377188516 /nfs/dbraw/zinc/18/85/16/377188516.db2.gz GUIDRUGRGVCACY-ILXRZTDVSA-N 0 3 263.381 3.380 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCCC[C@@H]1O ZINC000562442593 377310568 /nfs/dbraw/zinc/31/05/68/377310568.db2.gz UWVRDLSNEFYXIN-AEFFLSMTSA-N 0 3 289.419 3.234 20 30 CGEDHN C=CCCCCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000562533388 377325703 /nfs/dbraw/zinc/32/57/03/377325703.db2.gz PUGJALBYUDKBDW-MRXNPFEDSA-N 0 3 273.424 3.117 20 30 CGEDHN C#CCOc1ccc(CNCc2cc(C)c(O)c(C)c2)cc1 ZINC000264960541 190147957 /nfs/dbraw/zinc/14/79/57/190147957.db2.gz NWHKLDJBRUENNV-UHFFFAOYSA-N 0 3 295.382 3.311 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCSC[C@@H](C)C1 ZINC000248968503 377436315 /nfs/dbraw/zinc/43/63/15/377436315.db2.gz CVDXBYRTSQVVBY-QWHCGFSZSA-N 0 3 260.406 3.304 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cccc(C3CC3)c2)nc(C)n1 ZINC000566447750 377496942 /nfs/dbraw/zinc/49/69/42/377496942.db2.gz VLSFWJCXXQRMCA-MRXNPFEDSA-N 0 3 291.354 3.461 20 30 CGEDHN C=CCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000570792221 377539415 /nfs/dbraw/zinc/53/94/15/377539415.db2.gz IZROSCVBVZGVBJ-UHFFFAOYSA-N 0 3 286.278 3.252 20 30 CGEDHN COC1([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)CCC1 ZINC000414312525 249123690 /nfs/dbraw/zinc/12/36/90/249123690.db2.gz WQJUMZFLIOYLCI-RYUDHWBXSA-N 0 3 276.355 3.306 20 30 CGEDHN COC1([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)CCC1 ZINC000414312521 249123730 /nfs/dbraw/zinc/12/37/30/249123730.db2.gz WQJUMZFLIOYLCI-NEPJUHHUSA-N 0 3 276.355 3.306 20 30 CGEDHN CCC[C@@]1(COC)CCCN1CC#Cc1ccc(F)cc1 ZINC000572207357 377547789 /nfs/dbraw/zinc/54/77/89/377547789.db2.gz GDBMFGTZYRGREV-SFHVURJKSA-N 0 3 289.394 3.458 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443984397 249137805 /nfs/dbraw/zinc/13/78/05/249137805.db2.gz IYDIAKLRWLKJRE-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN C=CCCC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000265380395 190178278 /nfs/dbraw/zinc/17/82/78/190178278.db2.gz CHVNNTQGEFRODX-UHFFFAOYSA-N 0 3 288.391 3.009 20 30 CGEDHN CCC[C@H](C)[C@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000514608082 249182227 /nfs/dbraw/zinc/18/22/27/249182227.db2.gz IIVTVWNNXWASMX-OZVIIMIRSA-N 0 3 278.371 3.145 20 30 CGEDHN CN(Cc1ccc2c(c1)ncn2C)Cc1cccc(C#N)c1 ZINC000342685594 377732767 /nfs/dbraw/zinc/73/27/67/377732767.db2.gz CFLQKWXSAHIOAL-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN C=CCCN1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000265840231 190211985 /nfs/dbraw/zinc/21/19/85/190211985.db2.gz WJLGJGJNCIASSE-UHFFFAOYSA-N 0 3 291.391 3.123 20 30 CGEDHN N#CC(C(=O)c1ccoc1C1CC1)c1ccccn1 ZINC000342650646 377712330 /nfs/dbraw/zinc/71/23/30/377712330.db2.gz XURAAVOCOMJXLY-LBPRGKRZSA-N 0 3 252.273 3.042 20 30 CGEDHN C=CCCN(C)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000342733008 377762315 /nfs/dbraw/zinc/76/23/15/377762315.db2.gz HYWMQSKRKUVTDX-OAHLLOKOSA-N 0 3 290.382 3.137 20 30 CGEDHN Cc1nsc(NC[C@H]2CCCCN2CC(C)C)c1C#N ZINC000342780007 377787343 /nfs/dbraw/zinc/78/73/43/377787343.db2.gz LWERZCVJBWEOHE-CYBMUJFWSA-N 0 3 292.452 3.246 20 30 CGEDHN N#Cc1ccc(CNCCCSc2ccccc2)o1 ZINC000342862641 377844300 /nfs/dbraw/zinc/84/43/00/377844300.db2.gz TWMZNZXRJGFPOO-UHFFFAOYSA-N 0 3 272.373 3.423 20 30 CGEDHN CN(Cc1ccc(CC#N)cc1)[C@@H](CCO)c1ccccc1 ZINC000343556964 378017242 /nfs/dbraw/zinc/01/72/42/378017242.db2.gz RMZURQQHCMFMCG-IBGZPJMESA-N 0 3 294.398 3.308 20 30 CGEDHN Cc1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000268640044 378084147 /nfs/dbraw/zinc/08/41/47/378084147.db2.gz DGAHMKQUUFWGJM-MRXNPFEDSA-N 0 3 286.400 3.094 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)CCC ZINC000343642370 378049903 /nfs/dbraw/zinc/04/99/03/378049903.db2.gz FCTNYRWHAFDXGJ-CQSZACIVSA-N 0 3 294.464 3.383 20 30 CGEDHN CC(C)N(CCCSCC#N)Cc1ccco1 ZINC000266701667 378024469 /nfs/dbraw/zinc/02/44/69/378024469.db2.gz FNMAEHLWDCYYDW-UHFFFAOYSA-N 0 3 252.383 3.137 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccn(-c2ccccc2)n1 ZINC000343894778 378127840 /nfs/dbraw/zinc/12/78/40/378127840.db2.gz SFMXRJYDRZYFOI-UHFFFAOYSA-N 0 3 282.391 3.292 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000343928382 378135659 /nfs/dbraw/zinc/13/56/59/378135659.db2.gz BMNRYWYKPJAJOF-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN CC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cn1 ZINC000578827625 378104784 /nfs/dbraw/zinc/10/47/84/378104784.db2.gz ZYQVDTVDAJJZIT-SFHVURJKSA-N 0 3 279.387 3.406 20 30 CGEDHN N#Cc1ccc(CNCC2([C@H](O)c3ccccc3)CC2)cc1 ZINC000269830734 378271611 /nfs/dbraw/zinc/27/16/11/378271611.db2.gz RUZNJSGFHYUFSZ-GOSISDBHSA-N 0 3 292.382 3.162 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000345326371 378256673 /nfs/dbraw/zinc/25/66/73/378256673.db2.gz JNNGZSJGMDDWCY-LLVKDONJSA-N 0 3 292.329 3.396 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)c1)C(F)(F)F ZINC000582253321 378297083 /nfs/dbraw/zinc/29/70/83/378297083.db2.gz KFVSYKJQMFZUGZ-UHFFFAOYSA-N 0 3 256.271 3.236 20 30 CGEDHN CCN(CCc1cccs1)Cc1ccc(C#N)cn1 ZINC000583880378 378355765 /nfs/dbraw/zinc/35/57/65/378355765.db2.gz VYGLPWSCCFBBTE-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000583935151 378359711 /nfs/dbraw/zinc/35/97/11/378359711.db2.gz RWJQEISCQWNIAG-ZWKOTPCHSA-N 0 3 297.446 3.465 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000345878801 378396375 /nfs/dbraw/zinc/39/63/75/378396375.db2.gz ZXFCIBBSFVLMJX-ZDUSSCGKSA-N 0 3 298.386 3.052 20 30 CGEDHN N#CCCCCN1CCCN(c2cccc(F)c2F)CC1 ZINC000595507687 378401570 /nfs/dbraw/zinc/40/15/70/378401570.db2.gz ZJQCKECBEMRJKA-UHFFFAOYSA-N 0 3 293.361 3.171 20 30 CGEDHN COCc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742778 378411063 /nfs/dbraw/zinc/41/10/63/378411063.db2.gz SEPYGQCUGNYJLR-IBGZPJMESA-N 0 3 292.382 3.482 20 30 CGEDHN C=CCCC[C@H](C)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000346034990 378444719 /nfs/dbraw/zinc/44/47/19/378444719.db2.gz SLDMJZRXRFKPBH-KBXCAEBGSA-N 0 3 271.470 3.354 20 30 CGEDHN C[C@H](NC[C@H](O)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271931787 378521122 /nfs/dbraw/zinc/52/11/22/378521122.db2.gz ILUMZFBLMBNJCH-SJCJKPOMSA-N 0 3 290.382 3.289 20 30 CGEDHN Cc1cccc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000271812480 378508478 /nfs/dbraw/zinc/50/84/78/378508478.db2.gz BAIRRQZLRVMGLU-RDTXWAMCSA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@H](NC[C@]1(C)CCCC[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000271927936 378519830 /nfs/dbraw/zinc/51/98/30/378519830.db2.gz HCYCLKAJXVSADS-VUCTXSBTSA-N 0 3 290.382 3.289 20 30 CGEDHN C[C@H](N[C@H]1CCCSC1)c1ccc(C#N)c(F)c1 ZINC000271960442 378529728 /nfs/dbraw/zinc/52/97/28/378529728.db2.gz RDDPYRKIAZZNGU-GWCFXTLKSA-N 0 3 264.369 3.244 20 30 CGEDHN C=CCN(CCCOCC(F)(F)F)CCc1ccco1 ZINC000272224876 378589884 /nfs/dbraw/zinc/58/98/84/378589884.db2.gz CURAHNNZGCOAIQ-UHFFFAOYSA-N 0 3 291.313 3.279 20 30 CGEDHN C=CCN(CC=C)C[C@H]1CCN(c2ccccc2)C1 ZINC000637833155 378596864 /nfs/dbraw/zinc/59/68/64/378596864.db2.gz OQAJEAKHQDRVPA-MRXNPFEDSA-N 0 3 256.393 3.187 20 30 CGEDHN C=CC(C)(C)CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000638453887 378808598 /nfs/dbraw/zinc/80/85/98/378808598.db2.gz BKAHWULYOPEIGA-ZFWWWQNUSA-N 0 3 274.408 3.041 20 30 CGEDHN C=CC(C)(C)CCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000638453883 378808616 /nfs/dbraw/zinc/80/86/16/378808616.db2.gz BKAHWULYOPEIGA-HIFRSBDPSA-N 0 3 274.408 3.041 20 30 CGEDHN C#CCC(C)(C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000274354243 378817140 /nfs/dbraw/zinc/81/71/40/378817140.db2.gz UCMWURXDRVQNKN-UHFFFAOYSA-N 0 3 283.375 3.099 20 30 CGEDHN C=CC[C@@H](C)NCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638608126 378849568 /nfs/dbraw/zinc/84/95/68/378849568.db2.gz AUXZKASTCBBISJ-SNVBAGLBSA-N 0 3 287.329 3.292 20 30 CGEDHN C=CC[C@H](C)NCc1nnn(-c2ccccc2)c1C1CC1 ZINC000638609452 378851008 /nfs/dbraw/zinc/85/10/08/378851008.db2.gz MGZOUFHUHGHUGH-ZDUSSCGKSA-N 0 3 282.391 3.199 20 30 CGEDHN C=CCCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000274695505 378877748 /nfs/dbraw/zinc/87/77/48/378877748.db2.gz MKPLQWIYRPIDNV-UHFFFAOYSA-N 0 3 286.419 3.369 20 30 CGEDHN CN(C)CCSc1nc(-c2ccccc2)ccc1C#N ZINC000277052800 379053451 /nfs/dbraw/zinc/05/34/51/379053451.db2.gz NRMUBXGXUJSDMS-UHFFFAOYSA-N 0 3 283.400 3.274 20 30 CGEDHN C=C(C)CN(CCC[C@H]1CCO1)Cc1cnn(C(C)C)c1 ZINC000639161382 379080034 /nfs/dbraw/zinc/08/00/34/379080034.db2.gz CXKAKCRTOZFJBV-KRWDZBQOSA-N 0 3 291.439 3.411 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cc(OC)ns1 ZINC000639267229 379212034 /nfs/dbraw/zinc/21/20/34/379212034.db2.gz WKGLYSIHBKWBOY-CQSZACIVSA-N 0 3 288.416 3.429 20 30 CGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1ccc(C#N)cc1 ZINC000266521376 190263575 /nfs/dbraw/zinc/26/35/75/190263575.db2.gz ZMVKUGYIYXBWLM-CHWSQXEVSA-N 0 3 288.391 3.329 20 30 CGEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC(F)F ZINC000349830010 379409853 /nfs/dbraw/zinc/40/98/53/379409853.db2.gz QCHFRIFMGAYMSK-ZYHUDNBSSA-N 0 3 296.317 3.078 20 30 CGEDHN C=CCCCC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000267194972 190310630 /nfs/dbraw/zinc/31/06/30/190310630.db2.gz CXGJEVDIYDWOBY-UHFFFAOYSA-N 0 3 290.407 3.230 20 30 CGEDHN C[C@H](CCC#N)N(C)CCOc1cccc(Cl)c1 ZINC000351607056 379730190 /nfs/dbraw/zinc/73/01/90/379730190.db2.gz GTXMHAIIVMGNMG-GFCCVEGCSA-N 0 3 266.772 3.343 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)CN1C ZINC000351942641 379747929 /nfs/dbraw/zinc/74/79/29/379747929.db2.gz BHRKYGFAZZPYFS-GJZGRUSLSA-N 0 3 285.435 3.012 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nn(CC)c2ccccc12 ZINC000280629354 379750310 /nfs/dbraw/zinc/75/03/10/379750310.db2.gz LVXAAQGCEOJZKE-RDTXWAMCSA-N 0 3 299.418 3.127 20 30 CGEDHN C=CCCC[C@H](C)N1CCSC2(CCOCC2)C1 ZINC000352038146 379752690 /nfs/dbraw/zinc/75/26/90/379752690.db2.gz DZPSFEAMRBVYCP-AWEZNQCLSA-N 0 3 269.454 3.329 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(OC)cc1F ZINC000280779146 379787697 /nfs/dbraw/zinc/78/76/97/379787697.db2.gz IBPBFQMDEJLCNM-DCGLDWPTSA-N 0 3 293.382 3.466 20 30 CGEDHN C=CCCCCCn1cc([C@H](N)C(C)(C)C)nn1 ZINC000641043431 379915384 /nfs/dbraw/zinc/91/53/84/379915384.db2.gz AVHLNVNABMDRKQ-ZDUSSCGKSA-N 0 3 250.390 3.070 20 30 CGEDHN C=CCCCCn1cc(CNC2CCCCC2)nn1 ZINC000640939023 379878443 /nfs/dbraw/zinc/87/84/43/379878443.db2.gz JASLSDRZMNPBPP-UHFFFAOYSA-N 0 3 262.401 3.057 20 30 CGEDHN N#Cc1ccc(CNCC2CC(c3ccccc3)C2)o1 ZINC000282666812 379964209 /nfs/dbraw/zinc/96/42/09/379964209.db2.gz NIVLHYSDKWWLQE-UHFFFAOYSA-N 0 3 266.344 3.435 20 30 CGEDHN C=C(C)COCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352798669 379965922 /nfs/dbraw/zinc/96/59/22/379965922.db2.gz NRDLRYJHHLPSFV-UHFFFAOYSA-N 0 3 298.308 3.259 20 30 CGEDHN CC#CCCN(C)Cc1cccc(Br)c1 ZINC000404224127 379979342 /nfs/dbraw/zinc/97/93/42/379979342.db2.gz ZOAODLOVTWQBBW-UHFFFAOYSA-N 0 3 266.182 3.294 20 30 CGEDHN COc1ccc(CNCc2ccc(CC#N)cc2)cc1OC ZINC000398956820 379933395 /nfs/dbraw/zinc/93/33/95/379933395.db2.gz IUOJKIPIXMIYBH-UHFFFAOYSA-N 0 3 296.370 3.060 20 30 CGEDHN N#Cc1csc(CN[C@H](Cc2ccccc2)C2CC2)n1 ZINC000352838876 379995550 /nfs/dbraw/zinc/99/55/50/379995550.db2.gz RHBLHWYDNXEZCK-OAHLLOKOSA-N 0 3 283.400 3.126 20 30 CGEDHN CCCC[C@@H](CC)CNCc1nc(C#N)cs1 ZINC000352840939 379997425 /nfs/dbraw/zinc/99/74/25/379997425.db2.gz PSRCFEFUEYCHMJ-LLVKDONJSA-N 0 3 251.399 3.321 20 30 CGEDHN C[C@@H]1CCC[C@H](CNCc2nc(C#N)cs2)[C@H]1C ZINC000352945742 380050972 /nfs/dbraw/zinc/05/09/72/380050972.db2.gz POZYXIRWBPEGPO-GRYCIOLGSA-N 0 3 263.410 3.177 20 30 CGEDHN C=CCC1(NCc2ccc(SC)o2)CCOCC1 ZINC000641770802 380089453 /nfs/dbraw/zinc/08/94/53/380089453.db2.gz HHTBZEDNIPCBPU-UHFFFAOYSA-N 0 3 267.394 3.216 20 30 CGEDHN N#Cc1ccnc(N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000283623086 380077647 /nfs/dbraw/zinc/07/76/47/380077647.db2.gz SSZXNCNCWWFRBQ-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](COC(F)F)C1 ZINC000353023949 380079608 /nfs/dbraw/zinc/07/96/08/380079608.db2.gz GMTMITCEHXAWNQ-DGCLKSJQSA-N 0 3 280.318 3.180 20 30 CGEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)cn2)CN1Cc1ccccc1 ZINC000268117790 190378271 /nfs/dbraw/zinc/37/82/71/190378271.db2.gz FFWQOAKVNKPKEE-PBHICJAKSA-N 0 3 292.386 3.028 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2ncccc2C#N)CN1Cc1ccccc1 ZINC000268117713 190378334 /nfs/dbraw/zinc/37/83/34/190378334.db2.gz FDVFQMPTBKRCJH-RHSMWYFYSA-N 0 3 292.386 3.028 20 30 CGEDHN C=C(C)CN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000353261843 380196174 /nfs/dbraw/zinc/19/61/74/380196174.db2.gz QYNMSMOZZTTWQM-CQSZACIVSA-N 0 3 261.365 3.115 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(-n2ccnc2)cc1 ZINC000414171444 380197405 /nfs/dbraw/zinc/19/74/05/380197405.db2.gz UZDXJUJKTSNBTF-AWEZNQCLSA-N 0 3 282.391 3.463 20 30 CGEDHN COc1ccc([C@H](C)NCC(C)(C)CC#N)c(OC)c1 ZINC000414167707 380197582 /nfs/dbraw/zinc/19/75/82/380197582.db2.gz POHPVIAXOSANEZ-LBPRGKRZSA-N 0 3 276.380 3.294 20 30 CGEDHN CO[C@H]1CN(CCC2(C#N)CCCCC2)CC[C@H]1C ZINC000411613985 380151146 /nfs/dbraw/zinc/15/11/46/380151146.db2.gz QMPMEPQYXNXOCK-CABCVRRESA-N 0 3 264.413 3.207 20 30 CGEDHN CCn1nccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353916247 380232140 /nfs/dbraw/zinc/23/21/40/380232140.db2.gz PNGPMHSUOANBNY-KRWDZBQOSA-N 0 3 282.391 3.428 20 30 CGEDHN C=CCOCCN[C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000643348408 380291335 /nfs/dbraw/zinc/29/13/35/380291335.db2.gz AXOXQWVGUNYXPV-MRXNPFEDSA-N 0 3 279.355 3.078 20 30 CGEDHN N#Cc1csc(CNCCSCC(F)(F)F)c1 ZINC000354289948 380387777 /nfs/dbraw/zinc/38/77/77/380387777.db2.gz NZNYZUAQEPJKTD-UHFFFAOYSA-N 0 3 280.340 3.005 20 30 CGEDHN CC[C@H]1CCCCN1CCNc1nc2c(cc1C#N)CCC2 ZINC000354605779 380502300 /nfs/dbraw/zinc/50/23/00/380502300.db2.gz CPIWEATYKWHBHL-INIZCTEOSA-N 0 3 298.434 3.118 20 30 CGEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)[C@H]1C ZINC000416316989 380526017 /nfs/dbraw/zinc/52/60/17/380526017.db2.gz CHPLILQEDSJSOA-AESZEHBQSA-N 0 3 284.403 3.262 20 30 CGEDHN CSC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000279135001 194298496 /nfs/dbraw/zinc/29/84/96/194298496.db2.gz RIBWGFSPAQYKQJ-JTQLQIEISA-N 0 3 264.369 3.244 20 30 CGEDHN C=CCOCCN(CCC)Cc1ccc(OC)cc1 ZINC000645080290 380573786 /nfs/dbraw/zinc/57/37/86/380573786.db2.gz JKKGDEWXCFGVJP-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355777074 380775157 /nfs/dbraw/zinc/77/51/57/380775157.db2.gz CFMNRODJSJICEY-RDBSUJKOSA-N 0 3 272.392 3.433 20 30 CGEDHN COCC1(NCc2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000356317794 380796462 /nfs/dbraw/zinc/79/64/62/380796462.db2.gz KYVVZUJPDAORAJ-UHFFFAOYSA-N 0 3 298.308 3.236 20 30 CGEDHN C=CCC[C@@H](O)CNC1(c2cccc(F)c2)CCC1 ZINC000646003186 380797522 /nfs/dbraw/zinc/79/75/22/380797522.db2.gz VWFKWFYNWAANDR-OAHLLOKOSA-N 0 3 263.356 3.122 20 30 CGEDHN C[C@H](NCCOCCC#N)c1ccc(C2CC2)cc1 ZINC000419346735 380809975 /nfs/dbraw/zinc/80/99/75/380809975.db2.gz VVCAMAOHNCUXCD-ZDUSSCGKSA-N 0 3 258.365 3.145 20 30 CGEDHN Cc1cnc([C@@H](C)CNCc2ccc(C#N)c(F)c2)s1 ZINC000421338234 380880064 /nfs/dbraw/zinc/88/00/64/380880064.db2.gz DTDLRTXRDXPOIT-JTQLQIEISA-N 0 3 289.379 3.356 20 30 CGEDHN CN(CCC(C)(C)C#N)C1CC(OC(C)(C)C)C1 ZINC000421016786 380869828 /nfs/dbraw/zinc/86/98/28/380869828.db2.gz VBFJLMFFJIBSAC-UHFFFAOYSA-N 0 3 252.402 3.204 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](O)CC23CCC3)cc1 ZINC000421367487 380903079 /nfs/dbraw/zinc/90/30/79/380903079.db2.gz DUCUPULSHSWJLZ-INIZCTEOSA-N 0 3 287.403 3.131 20 30 CGEDHN CC[C@H]1CN(CC(C)(C)CCC#N)C[C@H](CC)O1 ZINC000421397881 380948839 /nfs/dbraw/zinc/94/88/39/380948839.db2.gz YEULGDFDKIAABB-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN C[C@H]1C[C@@H](Nc2cccnc2C#N)CN1Cc1ccccc1 ZINC000357533053 381198535 /nfs/dbraw/zinc/19/85/35/381198535.db2.gz PKYVOFYHWBCELL-GOEBONIOSA-N 0 3 292.386 3.028 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000357739561 381271443 /nfs/dbraw/zinc/27/14/43/381271443.db2.gz HVMSYFSYTNHUKF-ZIAGYGMSSA-N 0 3 285.391 3.007 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000357826545 381285402 /nfs/dbraw/zinc/28/54/02/381285402.db2.gz LYRKNJREAPJYBX-MISXGVKJSA-N 0 3 272.348 3.054 20 30 CGEDHN C=C(CC)CN1CCc2cc(OC)c(OC)cc2CC1 ZINC000358510876 381313769 /nfs/dbraw/zinc/31/37/69/381313769.db2.gz QGRJMPZDSPOALV-UHFFFAOYSA-N 0 3 275.392 3.071 20 30 CGEDHN C=C(CC)CN1CCCN(c2ccccc2C#N)CC1 ZINC000358511412 381314187 /nfs/dbraw/zinc/31/41/87/381314187.db2.gz RMOMPKNJBQOMOE-UHFFFAOYSA-N 0 3 269.392 3.037 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359551537 381352848 /nfs/dbraw/zinc/35/28/48/381352848.db2.gz FMNHHLMFNHVRBQ-XYJFISCASA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359551535 381353527 /nfs/dbraw/zinc/35/35/27/381353527.db2.gz FMNHHLMFNHVRBQ-SOLBZPMBSA-N 0 3 292.467 3.312 20 30 CGEDHN Cc1cccc(C)c1OCCCNCc1cc(C#N)n(C)c1 ZINC000359977235 381397019 /nfs/dbraw/zinc/39/70/19/381397019.db2.gz RFIRCXIGLRRYEO-UHFFFAOYSA-N 0 3 297.402 3.072 20 30 CGEDHN Cc1c[nH]cc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000361542341 381792278 /nfs/dbraw/zinc/79/22/78/381792278.db2.gz YCBHARLJIXXABM-CQSZACIVSA-N 0 3 275.311 3.361 20 30 CGEDHN COc1ccc(C#N)cc1CN(CC1CC1)C1CCC1 ZINC000361582974 381818884 /nfs/dbraw/zinc/81/88/84/381818884.db2.gz KOPNHTPKXDQPFM-UHFFFAOYSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCN(CCOC)[C@@H]1CCc2c1cccc2Cl ZINC000361998140 381878907 /nfs/dbraw/zinc/87/89/07/381878907.db2.gz BQIYOYHVEIKYSE-OAHLLOKOSA-N 0 3 265.784 3.462 20 30 CGEDHN COCCN(Cc1ccccc1C#N)[C@@H]1CC[C@H](C)C1 ZINC000361640602 381850926 /nfs/dbraw/zinc/85/09/26/381850926.db2.gz VDMPDAIIYAFTCY-WMLDXEAASA-N 0 3 272.392 3.195 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)CC#Cc2ccccc2)C12CCC2 ZINC000361824889 381872434 /nfs/dbraw/zinc/87/24/34/381872434.db2.gz HDFWHOOFZKPXGI-QZTJIDSGSA-N 0 3 283.415 3.318 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000362242578 381916965 /nfs/dbraw/zinc/91/69/65/381916965.db2.gz JXJMFFLPCMAAFA-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCN(CCC(=O)OC)Cc1cccc(F)c1F ZINC000362422018 381985483 /nfs/dbraw/zinc/98/54/83/381985483.db2.gz VNRTZWZGBGCVGA-UHFFFAOYSA-N 0 3 297.345 3.296 20 30 CGEDHN CC(C)(C#N)CCCC[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000365348864 382285726 /nfs/dbraw/zinc/28/57/26/382285726.db2.gz XUJNCAIGPUSTIJ-HNNXBMFYSA-N 0 3 297.406 3.204 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000335334716 208215532 /nfs/dbraw/zinc/21/55/32/208215532.db2.gz RVTNHGNXOIQDPM-CYBMUJFWSA-N 0 3 280.375 3.222 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000347061328 533108249 /nfs/dbraw/zinc/10/82/49/533108249.db2.gz FGRIBTYQNOWHNS-JTQLQIEISA-N 0 3 296.292 3.356 20 30 CGEDHN C[C@H]1[C@H](Nc2ncccc2C#N)CCN1Cc1ccccc1 ZINC000288289390 197044263 /nfs/dbraw/zinc/04/42/63/197044263.db2.gz RUKMAJYNBUNOPI-WMLDXEAASA-N 0 3 292.386 3.028 20 30 CGEDHN COc1ccc(CN2CC[C@@H](CC(C)C)C2)cc1C#N ZINC000307771639 542422826 /nfs/dbraw/zinc/42/28/26/542422826.db2.gz HQBLWXPDJHUCLX-HNNXBMFYSA-N 0 3 272.392 3.435 20 30 CGEDHN COc1ccc(CNCC(C)(C)CCC#N)c(F)c1 ZINC000344626111 533659498 /nfs/dbraw/zinc/65/94/98/533659498.db2.gz AXKICVWQAPSPAO-UHFFFAOYSA-N 0 3 264.344 3.254 20 30 CGEDHN CCN(CCNCc1cccc(C#N)c1)c1cccc(C)c1 ZINC000057597964 392109175 /nfs/dbraw/zinc/10/91/75/392109175.db2.gz DPHMQFTWKGEZSH-UHFFFAOYSA-N 0 3 293.414 3.483 20 30 CGEDHN N#Cc1cccc(CNCCOc2cccc(Cl)c2)c1 ZINC000069833227 392176058 /nfs/dbraw/zinc/17/60/58/392176058.db2.gz MEWKCJPRPYDFKF-UHFFFAOYSA-N 0 3 286.762 3.380 20 30 CGEDHN N#Cc1ccc(Cl)cc1N1CC[C@H](N2CCCCC2)C1 ZINC000110259057 392378621 /nfs/dbraw/zinc/37/86/21/392378621.db2.gz NMNCNUXYJMDORW-HNNXBMFYSA-N 0 3 289.810 3.276 20 30 CGEDHN C#Cc1ccc(CNC[C@H](c2ccsc2)N(C)C)cc1 ZINC000289245174 392417225 /nfs/dbraw/zinc/41/72/25/392417225.db2.gz LJBQGUKZCGVKAM-QGZVFWFLSA-N 0 3 284.428 3.122 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OC(C)C)nc2)cc1 ZINC000289277069 392418340 /nfs/dbraw/zinc/41/83/40/392418340.db2.gz OFLWXUPAZONTDA-UHFFFAOYSA-N 0 3 280.371 3.140 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000289922571 392436108 /nfs/dbraw/zinc/43/61/08/392436108.db2.gz UZHBKXOSZQKOCK-FZMZJTMJSA-N 0 3 288.416 3.316 20 30 CGEDHN C#Cc1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000290661698 392453990 /nfs/dbraw/zinc/45/39/90/392453990.db2.gz ZTUGXCQXKZKGKC-IBGZPJMESA-N 0 3 296.389 3.200 20 30 CGEDHN C=CCCCN(C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000121042550 392406631 /nfs/dbraw/zinc/40/66/31/392406631.db2.gz RMTXWANDTXYGIV-AWEZNQCLSA-N 0 3 292.398 3.243 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000121097100 392408986 /nfs/dbraw/zinc/40/89/86/392408986.db2.gz GIKJGGGIXGGQJN-LBPRGKRZSA-N 0 3 264.344 3.051 20 30 CGEDHN CC#CCCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000155225366 392539793 /nfs/dbraw/zinc/53/97/93/392539793.db2.gz ZNVDTPIWNJDAJP-SFHVURJKSA-N 0 3 287.403 3.090 20 30 CGEDHN C=CCCCCCN(C)Cc1cccc(C(=O)NC)c1 ZINC000150881174 392481597 /nfs/dbraw/zinc/48/15/97/392481597.db2.gz QLBIRQFEHRVNRF-UHFFFAOYSA-N 0 3 274.408 3.224 20 30 CGEDHN C#CCCCCNCc1c(F)cccc1N1CCCC1 ZINC000150735516 392482297 /nfs/dbraw/zinc/48/22/97/392482297.db2.gz GMAFIBFYWIPRFS-UHFFFAOYSA-N 0 3 274.383 3.319 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000301439132 392590423 /nfs/dbraw/zinc/59/04/23/392590423.db2.gz LRDMMQOKGOLPPV-UHFFFAOYSA-N 0 3 289.379 3.356 20 30 CGEDHN COc1ccc(F)cc1[C@H](C)NCCCCC#N ZINC000178645877 392683763 /nfs/dbraw/zinc/68/37/63/392683763.db2.gz NOXVQTZLOHLTJE-NSHDSACASA-N 0 3 250.317 3.179 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]2CCCC[C@H]21 ZINC000302846607 392621373 /nfs/dbraw/zinc/62/13/73/392621373.db2.gz JLNSDDONKFJPHV-JKSUJKDBSA-N 0 3 278.440 3.066 20 30 CGEDHN CC(C)(C#N)CCN1CCC2(CC1)OCCc1ccccc12 ZINC000334562933 392737605 /nfs/dbraw/zinc/73/76/05/392737605.db2.gz WZXHLNPLVLNVNR-UHFFFAOYSA-N 0 3 298.430 3.490 20 30 CGEDHN C=C(C)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844738 392749538 /nfs/dbraw/zinc/74/95/38/392749538.db2.gz CATBFQPJZUVUTG-LLVKDONJSA-N 0 3 273.302 3.115 20 30 CGEDHN CC(C#N)C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000334212101 392712090 /nfs/dbraw/zinc/71/20/90/392712090.db2.gz HUYPZYBARAUBIP-ABAIWWIYSA-N 0 3 292.329 3.235 20 30 CGEDHN CC1(C)C[C@H](NCc2ccc(C#N)c(F)c2)C(C)(C)O1 ZINC000192194114 392842058 /nfs/dbraw/zinc/84/20/58/392842058.db2.gz NGDFOQVKOYTCAV-AWEZNQCLSA-N 0 3 276.355 3.133 20 30 CGEDHN CC#CCN(C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000519762707 392891834 /nfs/dbraw/zinc/89/18/34/392891834.db2.gz CCYRAMLKSIUWTQ-LLVKDONJSA-N 0 3 253.292 3.304 20 30 CGEDHN C=CCCCCCN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000193434860 392877748 /nfs/dbraw/zinc/87/77/48/392877748.db2.gz OHTGWPDOMPBLBJ-INIZCTEOSA-N 0 3 294.826 3.377 20 30 CGEDHN N#CCCOCCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000339081304 392944974 /nfs/dbraw/zinc/94/49/74/392944974.db2.gz NVOCLODYZOKZPN-FVNWOWOISA-N 0 3 270.376 3.094 20 30 CGEDHN Cc1ccc(CNCc2cccc(OCCCC#N)c2)cn1 ZINC000338957782 392937799 /nfs/dbraw/zinc/93/77/99/392937799.db2.gz PAZUHXQBXKYZTD-UHFFFAOYSA-N 0 3 295.386 3.362 20 30 CGEDHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000528003098 392962708 /nfs/dbraw/zinc/96/27/08/392962708.db2.gz ATWRJHUWXPTNGZ-ZACQAIPSSA-N 0 3 270.376 3.091 20 30 CGEDHN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000527996301 392962849 /nfs/dbraw/zinc/96/28/49/392962849.db2.gz DGEZXOQYTSLLGZ-LYRGGWFBSA-N 0 3 276.355 3.304 20 30 CGEDHN N#CCc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411921156 392990796 /nfs/dbraw/zinc/99/07/96/392990796.db2.gz HFVDADQRNWOCGL-RTBURBONSA-N 0 3 292.382 3.061 20 30 CGEDHN COC1([C@@H](C)NCC#Cc2cccc(Cl)c2)CCC1 ZINC000412021090 392993129 /nfs/dbraw/zinc/99/31/29/392993129.db2.gz LGGAGTKSDSQJMP-CYBMUJFWSA-N 0 3 277.795 3.239 20 30 CGEDHN COC1([C@H](C)NCC#Cc2cccc(Cl)c2)CCC1 ZINC000412021091 392993333 /nfs/dbraw/zinc/99/33/33/392993333.db2.gz LGGAGTKSDSQJMP-ZDUSSCGKSA-N 0 3 277.795 3.239 20 30 CGEDHN CC(C)(C)OC(=O)CC[C@H]1CCCN(CCCC#N)C1 ZINC000412071996 392995639 /nfs/dbraw/zinc/99/56/39/392995639.db2.gz PNHNMPOGXGRJHQ-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000343144920 393019569 /nfs/dbraw/zinc/01/95/69/393019569.db2.gz XZNXBFZSBMMGAP-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN CC[C@H]1C[C@@H](C)CN1Cc1cn2ccccc2c1C#N ZINC000466915334 393068416 /nfs/dbraw/zinc/06/84/16/393068416.db2.gz JFIWEKVHIPXHIB-HIFRSBDPSA-N 0 3 267.376 3.431 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](O)CCC(C)C ZINC000570626455 393196936 /nfs/dbraw/zinc/19/69/36/393196936.db2.gz OOJLQHURQQEIHA-MRXNPFEDSA-N 0 3 277.408 3.138 20 30 CGEDHN CC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278863122 393327033 /nfs/dbraw/zinc/32/70/33/393327033.db2.gz WLMWPHJFNWTEIE-MLGOLLRUSA-N 0 3 268.364 3.094 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn(-c2ccccc2C)c1 ZINC000647215452 393392092 /nfs/dbraw/zinc/39/20/92/393392092.db2.gz VEYKBJFCMJOOJC-AEFFLSMTSA-N 0 3 297.402 3.004 20 30 CGEDHN C=C(C)CCNCc1cnn(-c2ccccc2C)c1 ZINC000647214483 393392476 /nfs/dbraw/zinc/39/24/76/393392476.db2.gz AOAXJSRODLMOLQ-UHFFFAOYSA-N 0 3 255.365 3.237 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663483 393531720 /nfs/dbraw/zinc/53/17/20/393531720.db2.gz HOHIWAAVNJAMGE-SJORKVTESA-N 0 3 277.383 3.116 20 30 CGEDHN COC[C@H](Cc1ccccc1)NCc1ccc(C#N)c(C)c1 ZINC000444000364 393782194 /nfs/dbraw/zinc/78/21/94/393782194.db2.gz WBWKDTVGGCPXNX-IBGZPJMESA-N 0 3 294.398 3.214 20 30 CGEDHN C=CCCCN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000448024882 393868033 /nfs/dbraw/zinc/86/80/33/393868033.db2.gz BCJRLXUODCRYNR-ZDUSSCGKSA-N 0 3 270.380 3.193 20 30 CGEDHN N#Cc1ccc(CNC2CCc3ccccc3CC2)o1 ZINC000449591897 393916504 /nfs/dbraw/zinc/91/65/04/393916504.db2.gz NKPYNOYKRMIFIV-UHFFFAOYSA-N 0 3 266.344 3.188 20 30 CGEDHN Cc1ccc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)nc1 ZINC000453413778 394239203 /nfs/dbraw/zinc/23/92/03/394239203.db2.gz IEFQZFAYABIYSJ-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnc(CC)s2)C1 ZINC000668494114 543019963 /nfs/dbraw/zinc/01/99/63/543019963.db2.gz WDKGJSNIRNKTBE-LBPRGKRZSA-N 0 3 250.411 3.494 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000668493984 543020376 /nfs/dbraw/zinc/02/03/76/543020376.db2.gz SZFNZNVQCNRPBN-INIZCTEOSA-N 0 3 285.435 3.470 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000668493571 543020867 /nfs/dbraw/zinc/02/08/67/543020867.db2.gz PCBCZEMNCXQOSS-CQSZACIVSA-N 0 3 275.392 3.492 20 30 CGEDHN CCN(CC#Cc1ccc(Cl)cc1)C[C@H]1CCOC1 ZINC000674250788 543276951 /nfs/dbraw/zinc/27/69/51/543276951.db2.gz GICDGFMCPDDPDQ-OAHLLOKOSA-N 0 3 277.795 3.050 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000397799256 397698194 /nfs/dbraw/zinc/69/81/94/397698194.db2.gz FPBKXCNOFGSOBB-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN C=CCC[C@H](O)CN(CCC)Cc1ccccc1F ZINC000675493427 543344145 /nfs/dbraw/zinc/34/41/45/543344145.db2.gz IDBPBPPELUHPFX-HNNXBMFYSA-N 0 3 265.372 3.365 20 30 CGEDHN CCC#C[C@H](C)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000678756373 543553372 /nfs/dbraw/zinc/55/33/72/543553372.db2.gz DUKMTKUEMACGKF-DZGCQCFKSA-N 0 3 273.376 3.300 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000678770031 543556082 /nfs/dbraw/zinc/55/60/82/543556082.db2.gz HMWITXWBJTXGRS-HUUCEWRRSA-N 0 3 267.376 3.325 20 30 CGEDHN CCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000037501705 286885835 /nfs/dbraw/zinc/88/58/35/286885835.db2.gz HKVKPIADRBKSTH-UHFFFAOYSA-N 0 3 250.345 3.410 20 30 CGEDHN CCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000048554367 286907322 /nfs/dbraw/zinc/90/73/22/286907322.db2.gz DAWHICSSDPRPMD-UHFFFAOYSA-N 0 3 258.365 3.059 20 30 CGEDHN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755724 287027724 /nfs/dbraw/zinc/02/77/24/287027724.db2.gz SRZXGBDKSAXQIF-CYBMUJFWSA-N 0 3 293.370 3.367 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000081197332 287071352 /nfs/dbraw/zinc/07/13/52/287071352.db2.gz UARKYZBHYLDMFR-DLBZAZTESA-N 0 3 280.375 3.028 20 30 CGEDHN CCN1CCC(Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000068770156 165047669 /nfs/dbraw/zinc/04/76/69/165047669.db2.gz CNBCEBRUBZNKQV-UHFFFAOYSA-N 0 3 280.375 3.003 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1ccc(F)c(C#N)c1 ZINC000091099555 165258034 /nfs/dbraw/zinc/25/80/34/165258034.db2.gz XSXYKRWXYJQMJT-ZDUSSCGKSA-N 0 3 266.385 3.271 20 30 CGEDHN C[C@H](c1ccncc1)N(C)CCCOc1cccc(C#N)c1 ZINC000091989008 165278605 /nfs/dbraw/zinc/27/86/05/165278605.db2.gz DONIZHNJHYWOLZ-OAHLLOKOSA-N 0 3 295.386 3.415 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000020124372 171006743 /nfs/dbraw/zinc/00/67/43/171006743.db2.gz NUGPJEQRROINJC-LBPRGKRZSA-N 0 3 280.327 3.138 20 30 CGEDHN Cc1noc(C)c1C(C)(C)NCCOc1ccccc1C#N ZINC000285599889 196339917 /nfs/dbraw/zinc/33/99/17/196339917.db2.gz JRLHKSYTIFORMV-UHFFFAOYSA-N 0 3 299.374 3.067 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccnc1 ZINC000037229073 173049255 /nfs/dbraw/zinc/04/92/55/173049255.db2.gz LSXWMGYTKPGWBZ-QWHCGFSZSA-N 0 3 251.333 3.365 20 30 CGEDHN CCc1ccc([C@H](O)CNCc2ccc(C#N)s2)cc1 ZINC000285737635 196383727 /nfs/dbraw/zinc/38/37/27/196383727.db2.gz XYZMXIXHOCGTOR-MRXNPFEDSA-N 0 3 286.400 3.005 20 30 CGEDHN N#Cc1ccc(OCCCN2CCC(F)(F)CC2)cc1 ZINC000040892142 174428677 /nfs/dbraw/zinc/42/86/77/174428677.db2.gz GZZBDVWTYWARQK-UHFFFAOYSA-N 0 3 280.318 3.058 20 30 CGEDHN C=CCN(CC=C)CCCc1nc(-c2ccccc2)no1 ZINC000078636158 177362806 /nfs/dbraw/zinc/36/28/06/177362806.db2.gz NRVIWYIAGWWIGN-UHFFFAOYSA-N 0 3 283.375 3.343 20 30 CGEDHN CCN1CCC[C@@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000048505751 416455000 /nfs/dbraw/zinc/45/50/00/416455000.db2.gz LIPQROCBZJYFAE-CQSZACIVSA-N 0 3 280.375 3.003 20 30 CGEDHN C[C@H](N[C@@H](C)c1cccnc1)c1ccc(OCC#N)cc1 ZINC000037228861 260076016 /nfs/dbraw/zinc/07/60/16/260076016.db2.gz SQRZGBGGSNYOPV-KBPBESRZSA-N 0 3 281.359 3.396 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cc2ccccc2s1 ZINC000680420371 543709812 /nfs/dbraw/zinc/70/98/12/543709812.db2.gz YCAKVJBALVLOOU-DGCLKSJQSA-N 0 3 261.390 3.489 20 30 CGEDHN C=CC[C@H](CO)NCc1cc(-c2ccccc2)ccc1OC ZINC000680484888 543714757 /nfs/dbraw/zinc/71/47/57/543714757.db2.gz QBCPBTHMZOBICJ-GOSISDBHSA-N 0 3 297.398 3.389 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(O)cc1 ZINC000682407037 543842230 /nfs/dbraw/zinc/84/22/30/543842230.db2.gz MKCMTQXVGQMVKJ-UHFFFAOYSA-N 0 3 257.333 3.216 20 30 CGEDHN C=CCOCCN[C@H]1CCSc2ccc(OC)cc21 ZINC000682435795 543845801 /nfs/dbraw/zinc/84/58/01/543845801.db2.gz HRBDTAOQFBYKNM-AWEZNQCLSA-N 0 3 279.405 3.024 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000683527793 543920581 /nfs/dbraw/zinc/92/05/81/543920581.db2.gz GZOLKLWRCALFJH-QGZVFWFLSA-N 0 3 285.431 3.106 20 30 CGEDHN C=CCCCCCN(C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000659947041 419042086 /nfs/dbraw/zinc/04/20/86/419042086.db2.gz LKLBQCGJQYRLNB-OWCLPIDISA-N 0 3 278.440 3.112 20 30 CGEDHN CC#CCCN1CCC(c2ccc3cccnc3n2)CC1 ZINC000653806002 419087820 /nfs/dbraw/zinc/08/78/20/419087820.db2.gz GXZZHFGCQXYBEY-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN C=CCC1(CN[C@@H]2CCCn3ccnc32)CCCC1 ZINC000655774575 419095303 /nfs/dbraw/zinc/09/53/03/419095303.db2.gz XMJWQOQXVSNZJX-CQSZACIVSA-N 0 3 259.397 3.444 20 30 CGEDHN C=CCCn1cc(CN(CC(C)C)CC(C)(C)C)nn1 ZINC000653569690 419051597 /nfs/dbraw/zinc/05/15/97/419051597.db2.gz DXQIRLZSXQSWFF-UHFFFAOYSA-N 0 3 278.444 3.358 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)nn1 ZINC000653608523 419059714 /nfs/dbraw/zinc/05/97/14/419059714.db2.gz VEKFGAXCXFXZBI-HYVNUMGLSA-N 0 3 290.455 3.405 20 30 CGEDHN C=CCN(Cc1cc(C)sc1C)[C@H](C)COC ZINC000661240877 419243597 /nfs/dbraw/zinc/24/35/97/419243597.db2.gz SNSZOSQJHNAGOI-LLVKDONJSA-N 0 3 253.411 3.388 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000661387597 419256892 /nfs/dbraw/zinc/25/68/92/419256892.db2.gz YXTIZWDXMAJTEC-WMLDXEAASA-N 0 3 284.403 3.228 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1nccs1 ZINC000666459528 419218875 /nfs/dbraw/zinc/21/88/75/419218875.db2.gz GWXQVKOKUWRKKB-AWEZNQCLSA-N 0 3 258.390 3.420 20 30 CGEDHN C=CCCOCCNCc1cc2ccc(C)cc2[nH]1 ZINC000657418836 419274629 /nfs/dbraw/zinc/27/46/29/419274629.db2.gz MOSRKJBLKMIMCY-UHFFFAOYSA-N 0 3 258.365 3.159 20 30 CGEDHN C=CCCn1cc(CNC[C@H]2CCCCC(F)(F)C2)nn1 ZINC000657473384 419287277 /nfs/dbraw/zinc/28/72/77/419287277.db2.gz ZUSPDMISVCVCSX-ZDUSSCGKSA-N 0 3 298.381 3.159 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc2n(n1)CCCC2 ZINC000657530783 419299309 /nfs/dbraw/zinc/29/93/09/419299309.db2.gz TWMWTWUHAMQTBM-RHSMWYFYSA-N 0 3 273.424 3.444 20 30 CGEDHN C=CCC1(NCc2nnc(CC)s2)CCCC1 ZINC000661850885 419304630 /nfs/dbraw/zinc/30/46/30/419304630.db2.gz ATCNNYYWEYDHIF-UHFFFAOYSA-N 0 3 251.399 3.079 20 30 CGEDHN C=CCCNCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000657582768 419309380 /nfs/dbraw/zinc/30/93/80/419309380.db2.gz FQXTWXYERVZIMI-UHFFFAOYSA-N 0 3 275.783 3.500 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H]2CCC[C@H](C)O2)cc1 ZINC000657665809 419322928 /nfs/dbraw/zinc/32/29/28/419322928.db2.gz QJUQGPZZHCPRFG-YOEHRIQHSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1snnc1C ZINC000658020614 419496116 /nfs/dbraw/zinc/49/61/16/419496116.db2.gz AFLYLKZTZAMLPV-NEPJUHHUSA-N 0 3 251.399 3.071 20 30 CGEDHN C#CC[C@@H](NCC[C@@H](O)c1ccccc1)c1ccccc1 ZINC000298716764 260161730 /nfs/dbraw/zinc/16/17/30/260161730.db2.gz AXSZABQUDRIWKE-RTBURBONSA-N 0 3 279.383 3.464 20 30 CGEDHN C#CCOc1ccccc1CNCc1sccc1C ZINC000075675486 260166117 /nfs/dbraw/zinc/16/61/17/260166117.db2.gz YUYOJGVASIRPDP-UHFFFAOYSA-N 0 3 271.385 3.358 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC000449842359 260877089 /nfs/dbraw/zinc/87/70/89/260877089.db2.gz COQOMCWTDIBIST-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000185777022 262069933 /nfs/dbraw/zinc/06/99/33/262069933.db2.gz GHYUIFIGFLBOPI-UKRRQHHQSA-N 0 3 288.391 3.266 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC000192661883 262207499 /nfs/dbraw/zinc/20/74/99/262207499.db2.gz IHQSEGYYEZLOAA-IAGOWNOFSA-N 0 3 283.419 3.459 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000192987414 262213677 /nfs/dbraw/zinc/21/36/77/262213677.db2.gz HYRGRWHNNRWQQM-CORIIIEPSA-N 0 3 274.339 3.321 20 30 CGEDHN CN(C)CCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000193111054 262216830 /nfs/dbraw/zinc/21/68/30/262216830.db2.gz YBCGUGHPHIHBEZ-ZBFHGGJFSA-N 0 3 287.407 3.121 20 30 CGEDHN C=CC[C@H](CO)NCc1cccc(OCc2ccccc2)c1 ZINC000184274014 262275371 /nfs/dbraw/zinc/27/53/71/262275371.db2.gz KBDWVJPJPFSGLS-GOSISDBHSA-N 0 3 297.398 3.292 20 30 CGEDHN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)ccn1 ZINC000391191181 262386882 /nfs/dbraw/zinc/38/68/82/262386882.db2.gz YRCZHABMCJYEHE-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN CC(C)(C#N)CCCCN1CC[C@@H](Oc2ccncc2)C1 ZINC000336845422 262398939 /nfs/dbraw/zinc/39/89/39/262398939.db2.gz QCELDONYZMEDLK-MRXNPFEDSA-N 0 3 287.407 3.255 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cnccn1 ZINC000414295535 262838103 /nfs/dbraw/zinc/83/81/03/262838103.db2.gz FKZZOGZJNLHDHH-GOEBONIOSA-N 0 3 267.376 3.315 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000272904695 263009719 /nfs/dbraw/zinc/00/97/19/263009719.db2.gz GOWWSIDLFHUYIV-CWTRNNRKSA-N 0 3 278.421 3.014 20 30 CGEDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCCC#N ZINC000273281623 263014573 /nfs/dbraw/zinc/01/45/73/263014573.db2.gz QMFDHWRKJQKVTD-GFCCVEGCSA-N 0 3 293.392 3.359 20 30 CGEDHN Cc1nc(-c2cccnc2)sc1[C@H](C)NCCCC#N ZINC000273282960 263014645 /nfs/dbraw/zinc/01/46/45/263014645.db2.gz QVJJEBPDJJUYOI-NSHDSACASA-N 0 3 286.404 3.468 20 30 CGEDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCCCC#N ZINC000273282957 263014668 /nfs/dbraw/zinc/01/46/68/263014668.db2.gz QVJJEBPDJJUYOI-LLVKDONJSA-N 0 3 286.404 3.468 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCCOc2ccccc2Cl)C1 ZINC000274220727 263022061 /nfs/dbraw/zinc/02/20/61/263022061.db2.gz PQWKYDLTIHULBB-STQMWFEESA-N 0 3 278.783 3.391 20 30 CGEDHN COc1ccc2c(c1)[C@H](NCCCC#N)CCS2 ZINC000276164658 263035046 /nfs/dbraw/zinc/03/50/46/263035046.db2.gz RNOLJVLXDMYQON-CYBMUJFWSA-N 0 3 262.378 3.125 20 30 CGEDHN C=C[C@@H](CC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000340146048 263077895 /nfs/dbraw/zinc/07/78/95/263077895.db2.gz AWMZWHRSKCOLDM-MAUKXSAKSA-N 0 3 298.430 3.041 20 30 CGEDHN COc1ccc(CN(CCCC#N)CC2CC2)c(OC)c1 ZINC000282934819 263079848 /nfs/dbraw/zinc/07/98/48/263079848.db2.gz YPBCRGOGHQRTEF-UHFFFAOYSA-N 0 3 288.391 3.220 20 30 CGEDHN N#Cc1cccc(OC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000292986801 263136844 /nfs/dbraw/zinc/13/68/44/263136844.db2.gz FTDUEPBLVWGFIM-HZPDHXFCSA-N 0 3 295.386 3.094 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000295043060 263171012 /nfs/dbraw/zinc/17/10/12/263171012.db2.gz MUAKDPSUILCCOI-AAEUAGOBSA-N 0 3 288.782 3.160 20 30 CGEDHN COC[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(F)c(F)c1 ZINC000296433079 263191441 /nfs/dbraw/zinc/19/14/41/263191441.db2.gz LYWRGJIKVNFQML-DETPVDSQSA-N 0 3 294.345 3.324 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000298044873 263214414 /nfs/dbraw/zinc/21/44/14/263214414.db2.gz DEOSNNQTFXTTPB-GDBMZVCRSA-N 0 3 257.381 3.255 20 30 CGEDHN C[C@]12CCN(Cc3ccc(OCC#N)cc3)C[C@H]1C2(F)F ZINC000298295594 263217458 /nfs/dbraw/zinc/21/74/58/263217458.db2.gz PIVHXYGLDFPFHQ-CABCVRRESA-N 0 3 292.329 3.066 20 30 CGEDHN C[C@H](CCC#N)N1CCC(N2CCc3ccccc32)CC1 ZINC000298416805 263219336 /nfs/dbraw/zinc/21/93/36/263219336.db2.gz FTVNYSJZKFTSHQ-OAHLLOKOSA-N 0 3 283.419 3.206 20 30 CGEDHN COc1ccc([C@@H](C)N[C@@H](C)CCC#N)c(C)c1OC ZINC000298567181 263222411 /nfs/dbraw/zinc/22/24/11/263222411.db2.gz QABJVRIHKOPFRF-WCQYABFASA-N 0 3 276.380 3.355 20 30 CGEDHN CC[C@H](N[C@@H](C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000299183148 263233545 /nfs/dbraw/zinc/23/35/45/263233545.db2.gz ZOALQQHFWSDAQR-FZMZJTMJSA-N 0 3 261.325 3.328 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1sc(C)nc1C ZINC000453357445 263249412 /nfs/dbraw/zinc/24/94/12/263249412.db2.gz OMHXCNGMOAYCSL-RTXFEEFZSA-N 0 3 266.410 3.144 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000341871846 263361599 /nfs/dbraw/zinc/36/15/99/263361599.db2.gz DTRXKLZSRDIMDU-NSHDSACASA-N 0 3 267.344 3.460 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc2ccccc2n1 ZINC000341882343 263362146 /nfs/dbraw/zinc/36/21/46/263362146.db2.gz GVPSXXBNVQRNRR-UONOGXRCSA-N 0 3 270.376 3.070 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341887730 263363775 /nfs/dbraw/zinc/36/37/75/263363775.db2.gz ZPCCDNPELDWORI-SWLSCSKDSA-N 0 3 295.810 3.328 20 30 CGEDHN C=CCC[C@@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000341947791 263367840 /nfs/dbraw/zinc/36/78/40/263367840.db2.gz UAZDPIKKENVOFX-OAHLLOKOSA-N 0 3 285.343 3.143 20 30 CGEDHN CCc1ccc(CCN2CCC(C#N)(COC)CC2)cc1 ZINC000341994803 263372428 /nfs/dbraw/zinc/37/24/28/263372428.db2.gz QKDIDJWKTCAABS-UHFFFAOYSA-N 0 3 286.419 3.044 20 30 CGEDHN CCCc1ccc(CN2CCC(C#N)(COC)CC2)cc1 ZINC000342002286 263376343 /nfs/dbraw/zinc/37/63/43/263376343.db2.gz XHVKVUMBSPPFFS-UHFFFAOYSA-N 0 3 286.419 3.391 20 30 CGEDHN C=C1CCN(C(=O)c2ccc(CN(CC)C3CC3)cc2)CC1 ZINC000342096196 263386968 /nfs/dbraw/zinc/38/69/68/263386968.db2.gz QTKMUCTWNJYZOZ-UHFFFAOYSA-N 0 3 298.430 3.463 20 30 CGEDHN C=CCCN(C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000342734351 263482784 /nfs/dbraw/zinc/48/27/84/263482784.db2.gz JVUPXTYOBNRDDJ-UHFFFAOYSA-N 0 3 288.435 3.322 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC1CCCCC1 ZINC000331169706 264146000 /nfs/dbraw/zinc/14/60/00/264146000.db2.gz CEXYZDWVEKOYPT-OAHLLOKOSA-N 0 3 270.376 3.208 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(F)c(Br)c1 ZINC000130455250 264352741 /nfs/dbraw/zinc/35/27/41/264352741.db2.gz FRSUMJOWPDSBOU-MRVPVSSYSA-N 0 3 258.134 3.252 20 30 CGEDHN CC(C#N)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000357804867 266367282 /nfs/dbraw/zinc/36/72/82/266367282.db2.gz RJTWAEOAZJBROG-WMLDXEAASA-N 0 3 278.355 3.246 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2nc(C)cs2)CC1 ZINC000359513458 266594628 /nfs/dbraw/zinc/59/46/28/266594628.db2.gz GUERVYQMZDZDSN-AWEZNQCLSA-N 0 3 279.453 3.318 20 30 CGEDHN CCCCCCCN1CCCN(C(=O)c2ccco2)CC1 ZINC000368353037 267164928 /nfs/dbraw/zinc/16/49/28/267164928.db2.gz AQKSTHOOKYNWQJ-UHFFFAOYSA-N 0 3 292.423 3.398 20 30 CGEDHN CC(C)(CCC#N)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000370298399 267307449 /nfs/dbraw/zinc/30/74/49/267307449.db2.gz OWABXAMQSCQTSV-UHFFFAOYSA-N 0 3 296.418 3.269 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000119321563 267321801 /nfs/dbraw/zinc/32/18/01/267321801.db2.gz WQSMQWVFBRDUFN-WDEREUQCSA-N 0 3 258.365 3.141 20 30 CGEDHN N#CCC1(CN[C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000370667764 267336660 /nfs/dbraw/zinc/33/66/60/267336660.db2.gz PSNFSCHZFCCIHL-AWEZNQCLSA-N 0 3 274.339 3.323 20 30 CGEDHN COCC[C@@H](Cc1cccc(F)c1)NCC1(C#N)CCC1 ZINC000418144370 267364740 /nfs/dbraw/zinc/36/47/40/267364740.db2.gz SZCDTFGXMCLXPF-INIZCTEOSA-N 0 3 290.382 3.057 20 30 CGEDHN N#Cc1ccc(C2(NCc3ccccc3)CCOCC2)cc1 ZINC000527809940 268212135 /nfs/dbraw/zinc/21/21/35/268212135.db2.gz IJDFYJJTYMCGGH-UHFFFAOYSA-N 0 3 292.382 3.354 20 30 CGEDHN CCCN(CCC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019846798 273609610 /nfs/dbraw/zinc/60/96/10/273609610.db2.gz JBWHYJIZQPABCO-ZDUSSCGKSA-N 0 3 273.380 3.007 20 30 CGEDHN COc1cc(F)cc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353253233 274095730 /nfs/dbraw/zinc/09/57/30/274095730.db2.gz KVYBPKBMNKLRFH-SFHVURJKSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H](C)N1C ZINC000338796351 278799782 /nfs/dbraw/zinc/79/97/82/278799782.db2.gz RXHNCVXEWNGSKA-GHMZBOCLSA-N 0 3 297.324 3.106 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000349311789 279484648 /nfs/dbraw/zinc/48/46/48/279484648.db2.gz KLDPIKVIYGJRTB-GYSYKLTISA-N 0 3 276.767 3.445 20 30 CGEDHN C[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000271616980 280009112 /nfs/dbraw/zinc/00/91/12/280009112.db2.gz BHXVLAKXTZCJBM-SWLSCSKDSA-N 0 3 297.320 3.214 20 30 CGEDHN Cc1n[nH]c(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000335737440 281769817 /nfs/dbraw/zinc/76/98/17/281769817.db2.gz FEINLPSFUPTCEB-KRWDZBQOSA-N 0 3 280.375 3.065 20 30 CGEDHN CC(C#N)C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000334748166 289234491 /nfs/dbraw/zinc/23/44/91/289234491.db2.gz WPUIUIGIDBOKOH-UKRRQHHQSA-N 0 3 268.360 3.290 20 30 CGEDHN C=CCCCCCN[C@H](c1nccn1C)C1CCOCC1 ZINC000563415725 328063147 /nfs/dbraw/zinc/06/31/47/328063147.db2.gz FOCDJPCBFWOLAL-INIZCTEOSA-N 0 3 291.439 3.224 20 30 CGEDHN C=CCCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000571372857 328117318 /nfs/dbraw/zinc/11/73/18/328117318.db2.gz PBJQQXCTWGQUCO-UHFFFAOYSA-N 0 3 285.290 3.073 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000274389227 328211067 /nfs/dbraw/zinc/21/10/67/328211067.db2.gz ASIWJCMGOBSHKK-NHCYSSNCSA-N 0 3 250.292 3.308 20 30 CGEDHN N#CCCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000288765768 328253685 /nfs/dbraw/zinc/25/36/85/328253685.db2.gz HWFNDPRFZQYTBQ-ZWKOTPCHSA-N 0 3 280.371 3.355 20 30 CGEDHN CC(C)(CCC#N)CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290779246 328260306 /nfs/dbraw/zinc/26/03/06/328260306.db2.gz CTNVUSUWAXIXHI-CYBMUJFWSA-N 0 3 280.803 3.113 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)CCCC#N ZINC000291861200 328267087 /nfs/dbraw/zinc/26/70/87/328267087.db2.gz HHJQCRFYGJJSAA-UHFFFAOYSA-N 0 3 285.391 3.223 20 30 CGEDHN C=C[C@@H](CO)N[C@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000353579365 328289877 /nfs/dbraw/zinc/28/98/77/328289877.db2.gz UYOHDLYUTJBULT-WCQYABFASA-N 0 3 289.297 3.173 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccccn2)c1 ZINC000566596024 322130798 /nfs/dbraw/zinc/13/07/98/322130798.db2.gz VOHUTLKTIPCLFW-GOSISDBHSA-N 0 3 293.370 3.169 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CSC1(C)C ZINC000338476938 327002553 /nfs/dbraw/zinc/00/25/53/327002553.db2.gz KUVMOOTYXCPCOG-CQSZACIVSA-N 0 3 263.406 3.235 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000558901753 327130468 /nfs/dbraw/zinc/13/04/68/327130468.db2.gz KRTKAEZDRAQSPS-SJORKVTESA-N 0 3 292.373 3.102 20 30 CGEDHN C=CCOCCN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000559148550 327143665 /nfs/dbraw/zinc/14/36/65/327143665.db2.gz IPYDVVHNHSMFRJ-MRXNPFEDSA-N 0 3 263.356 3.377 20 30 CGEDHN N#CCC[C@H](C#N)CNCC1CC(c2ccccc2)C1 ZINC000559156458 327144005 /nfs/dbraw/zinc/14/40/05/327144005.db2.gz DLMJYKKVTJKGKU-HPUBIQBYSA-N 0 3 267.376 3.213 20 30 CGEDHN COc1ccc([C@H](C)NCC#Cc2ccccc2)cc1 ZINC000090340048 327147068 /nfs/dbraw/zinc/14/70/68/327147068.db2.gz PEJMGZGKVJWYLA-HNNXBMFYSA-N 0 3 265.356 3.398 20 30 CGEDHN C=CCC(C)(C)CNCc1c(OC)cccc1OC ZINC000559308422 327157305 /nfs/dbraw/zinc/15/73/05/327157305.db2.gz KKIHYXCJFSAVPH-UHFFFAOYSA-N 0 3 263.381 3.396 20 30 CGEDHN COc1ccccc1[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000119936257 327295882 /nfs/dbraw/zinc/29/58/82/327295882.db2.gz BIQRLOPXPAPPAV-AWEZNQCLSA-N 0 3 272.392 3.424 20 30 CGEDHN CCO[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)C12CCCCC2 ZINC000560405222 327305142 /nfs/dbraw/zinc/30/51/42/327305142.db2.gz IRMJAUUADVELOF-ARFHVFGLSA-N 0 3 289.423 3.147 20 30 CGEDHN CCS[C@@H]1CCC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000570274063 327580018 /nfs/dbraw/zinc/58/00/18/327580018.db2.gz VTOCGCDXDKTPJW-MGPQQGTHSA-N 0 3 265.426 3.084 20 30 CGEDHN C=CCN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000037185036 328633549 /nfs/dbraw/zinc/63/35/49/328633549.db2.gz BSEGLILHRRDKRR-QMMMGPOBSA-N 0 3 258.134 3.425 20 30 CGEDHN COc1cccc(CC2CCN(CCCC#N)CC2)c1 ZINC000374605259 328994976 /nfs/dbraw/zinc/99/49/76/328994976.db2.gz PDACHYXYUPRKMM-UHFFFAOYSA-N 0 3 272.392 3.253 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCOC1 ZINC000177152116 329180576 /nfs/dbraw/zinc/18/05/76/329180576.db2.gz PGCOCIXGOXCRCB-HNNXBMFYSA-N 0 3 277.795 3.050 20 30 CGEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1ccccc1 ZINC000181043456 329225245 /nfs/dbraw/zinc/22/52/45/329225245.db2.gz BYMWEJHWSDSVOI-UHFFFAOYSA-N 0 3 255.365 3.095 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](CC(F)F)c1ccccc1 ZINC000420988854 329795799 /nfs/dbraw/zinc/79/57/99/329795799.db2.gz BAGHAZGNGKWNOU-UONOGXRCSA-N 0 3 269.335 3.300 20 30 CGEDHN C#CC[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000270244622 330073966 /nfs/dbraw/zinc/07/39/66/330073966.db2.gz SRJCLYXGWCDMTE-SFHVURJKSA-N 0 3 277.367 3.476 20 30 CGEDHN C=CCCOCCN[C@H](c1ccc(OC)cc1F)C1CC1 ZINC000421832338 330091283 /nfs/dbraw/zinc/09/12/83/330091283.db2.gz GREMVXNQLNAVQB-KRWDZBQOSA-N 0 3 293.382 3.468 20 30 CGEDHN N#CC1CCC(CNCc2ccncc2Cl)CC1 ZINC000527701940 330274709 /nfs/dbraw/zinc/27/47/09/330274709.db2.gz CAWCLHPPJOWVSA-UHFFFAOYSA-N 0 3 263.772 3.155 20 30 CGEDHN COc1ccc([C@H](N[C@H]2CCC[C@@H](C#N)C2)C2CC2)cn1 ZINC000528042128 330305849 /nfs/dbraw/zinc/30/58/49/330305849.db2.gz DETPMCPQFYCAJC-ISTRZQFTSA-N 0 3 285.391 3.213 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(Cl)c1OCC ZINC000424171777 330311785 /nfs/dbraw/zinc/31/17/85/330311785.db2.gz LEDXAWVVOWKMKP-WFASDCNBSA-N 0 3 295.810 3.419 20 30 CGEDHN COc1ccc2oc(CN[C@@H]3CC[C@H](C#N)C3)cc2c1 ZINC000424189928 330323007 /nfs/dbraw/zinc/32/30/07/330323007.db2.gz FGNCFBMMQYWBRQ-WCQYABFASA-N 0 3 270.332 3.223 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000424193159 330324170 /nfs/dbraw/zinc/32/41/70/330324170.db2.gz JWDPVMCMUGEUDN-CMPLNLGQSA-N 0 3 296.317 3.078 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCCO2 ZINC000424317302 330339605 /nfs/dbraw/zinc/33/96/05/330339605.db2.gz BUARJBWVPNYIID-VNHYZAJKSA-N 0 3 286.375 3.191 20 30 CGEDHN CCOc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424316678 330339651 /nfs/dbraw/zinc/33/96/51/330339651.db2.gz BBFOTUQFMVQUSO-VNHYZAJKSA-N 0 3 258.365 3.428 20 30 CGEDHN COC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000424327539 330341591 /nfs/dbraw/zinc/34/15/91/330341591.db2.gz MUVDSXFWDWUSID-GLQYFDAESA-N 0 3 278.783 3.309 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(Cc2ccccc2)c1 ZINC000424332379 330342615 /nfs/dbraw/zinc/34/26/15/330342615.db2.gz SXXAADFRFMKQSM-UWWQBHOKSA-N 0 3 294.402 3.274 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000537023728 330385621 /nfs/dbraw/zinc/38/56/21/330385621.db2.gz KWGRTINVSOQJQJ-OAHLLOKOSA-N 0 3 280.371 3.335 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCOc2ccc(C)cc21 ZINC000090451284 330392599 /nfs/dbraw/zinc/39/25/99/330392599.db2.gz GSIDABZNBUZFAQ-MRXNPFEDSA-N 0 3 275.392 3.391 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000121040775 330395361 /nfs/dbraw/zinc/39/53/61/330395361.db2.gz BJLGTRKBBIZFHB-JKSUJKDBSA-N 0 3 288.435 3.459 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000121048405 330395394 /nfs/dbraw/zinc/39/53/94/330395394.db2.gz QUEJUAXBXLFEDN-HZPDHXFCSA-N 0 3 288.435 3.193 20 30 CGEDHN C=CCCOCCN[C@H]1CCCOc2cc(C)ccc21 ZINC000090883834 330396517 /nfs/dbraw/zinc/39/65/17/330396517.db2.gz OMUMIJCEEFQQNL-INIZCTEOSA-N 0 3 275.392 3.391 20 30 CGEDHN C=CC1CCN(Cc2cccc(OCCCOC)c2)CC1 ZINC000093359350 330419599 /nfs/dbraw/zinc/41/95/99/330419599.db2.gz CLSWDMCSTTZQAW-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCOc2cccc(Cl)c2)C1 ZINC000442789593 330783729 /nfs/dbraw/zinc/78/37/29/330783729.db2.gz YIEGGLPEHAGQPF-WCQYABFASA-N 0 3 264.756 3.001 20 30 CGEDHN Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[C@@H](C#N)C2)n1 ZINC000442794963 330784305 /nfs/dbraw/zinc/78/43/05/330784305.db2.gz QZWOWJUSGKYAQF-WBVHZDCISA-N 0 3 294.402 3.271 20 30 CGEDHN CCc1cnc(CNC2CCC(C)(C#N)CC2)s1 ZINC000449176086 330903761 /nfs/dbraw/zinc/90/37/61/330903761.db2.gz RUOKEUFCZCNAMG-UHFFFAOYSA-N 0 3 263.410 3.268 20 30 CGEDHN CCCc1nc(C)c(CNC2CCC(C)(C#N)CC2)o1 ZINC000449342121 330916508 /nfs/dbraw/zinc/91/65/08/330916508.db2.gz ZCZXDCKKLKNEQW-UHFFFAOYSA-N 0 3 275.396 3.498 20 30 CGEDHN CC/C=C/CNCc1cccc(OCCCC#N)c1 ZINC000449458780 330927374 /nfs/dbraw/zinc/92/73/74/330927374.db2.gz POWPJEIVLUBFMJ-HWKANZROSA-N 0 3 258.365 3.425 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1OC(F)F ZINC000453343332 331119609 /nfs/dbraw/zinc/11/96/09/331119609.db2.gz DZDWUQFJHMVGAD-RTXFEEFZSA-N 0 3 283.318 3.282 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1nccc2ccccc21 ZINC000453376471 331124888 /nfs/dbraw/zinc/12/48/88/331124888.db2.gz XFFKEYLIJJYGTJ-DZGCQCFKSA-N 0 3 270.376 3.213 20 30 CGEDHN C[C@H](CCCc1cccnc1)NCC1(C#N)CCC1 ZINC000459633448 331291414 /nfs/dbraw/zinc/29/14/14/331291414.db2.gz GWXLROWGACKEDZ-CQSZACIVSA-N 0 3 257.381 3.076 20 30 CGEDHN CC(C)(CC#N)CNCc1c[nH]nc1-c1ccccc1 ZINC000459702406 331295090 /nfs/dbraw/zinc/29/50/90/331295090.db2.gz UWXBHNCRFMKTEX-UHFFFAOYSA-N 0 3 268.364 3.106 20 30 CGEDHN CC(C)(CC#N)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000459705307 331295188 /nfs/dbraw/zinc/29/51/88/331295188.db2.gz YEIDMVUJYFUALZ-ALCCZGGFSA-N 0 3 273.336 3.137 20 30 CGEDHN CCOc1cc(C[NH2+]CC(C)(C)CC#N)cc(Cl)c1[O-] ZINC000459726720 331296000 /nfs/dbraw/zinc/29/60/00/331296000.db2.gz FMIOIBCHFUJIDD-UHFFFAOYSA-N 0 3 296.798 3.474 20 30 CGEDHN Cc1cccc(-c2n[nH]cc2CNCC(C)(C)CC#N)c1 ZINC000459728799 331296269 /nfs/dbraw/zinc/29/62/69/331296269.db2.gz IUKGNHOJUFVNIY-UHFFFAOYSA-N 0 3 282.391 3.415 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@](C)(CCC)C1 ZINC000464839236 331370697 /nfs/dbraw/zinc/37/06/97/331370697.db2.gz PGXTYOGEPHJRLT-AEFFLSMTSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000491133957 332155111 /nfs/dbraw/zinc/15/51/11/332155111.db2.gz USAFDMLLZZYZAF-JKSUJKDBSA-N 0 3 286.419 3.150 20 30 CGEDHN N#CCC1(CNCc2ccc3c(c2)CCCC3)CC1 ZINC000491357574 332196279 /nfs/dbraw/zinc/19/62/79/332196279.db2.gz AROGRDGOKHJFHE-UHFFFAOYSA-N 0 3 254.377 3.349 20 30 CGEDHN C=CCCCNCc1cnc(-c2ccccc2OC)nc1 ZINC000491397147 332204788 /nfs/dbraw/zinc/20/47/88/332204788.db2.gz BBQSNMBKGCRYID-UHFFFAOYSA-N 0 3 283.375 3.208 20 30 CGEDHN C#C[C@@H](NCC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000491688984 332286480 /nfs/dbraw/zinc/28/64/80/332286480.db2.gz GAAVSRSSWWXZAG-SWLSCSKDSA-N 0 3 263.768 3.031 20 30 CGEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000491701972 332296250 /nfs/dbraw/zinc/29/62/50/332296250.db2.gz GRVOEMGEDJJUFL-CABCVRRESA-N 0 3 272.392 3.022 20 30 CGEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000575450151 335105048 /nfs/dbraw/zinc/10/50/48/335105048.db2.gz SGFSEBLKIODQQU-BHYGNILZSA-N 0 3 267.376 3.356 20 30 CGEDHN C=C(CC)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000494282696 332469507 /nfs/dbraw/zinc/46/95/07/332469507.db2.gz PNRAELIFTFRDDM-GOEBONIOSA-N 0 3 292.810 3.168 20 30 CGEDHN Cc1cc(C)cc(C[C@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000516563316 332572716 /nfs/dbraw/zinc/57/27/16/332572716.db2.gz DEHHBDHMADPJHQ-JKSUJKDBSA-N 0 3 269.392 3.268 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCCC)cc1 ZINC000517501534 333100828 /nfs/dbraw/zinc/10/08/28/333100828.db2.gz RFYVODTYMMWLQY-SJORKVTESA-N 0 3 275.392 3.299 20 30 CGEDHN CCS[C@@H]1CCCC[C@H]1NC[C@H](C#N)CCC#N ZINC000190028881 333202140 /nfs/dbraw/zinc/20/21/40/333202140.db2.gz HNVIVQVKBRMNLB-BFHYXJOUSA-N 0 3 265.426 3.084 20 30 CGEDHN C=CC[C@@H](CC)NCc1ccc([N+](=O)[O-])cc1F ZINC000341441749 335169453 /nfs/dbraw/zinc/16/94/53/335169453.db2.gz ULKFCJJHQOOILU-LLVKDONJSA-N 0 3 252.289 3.178 20 30 CGEDHN C=C(C)CN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134005118 334077224 /nfs/dbraw/zinc/07/72/24/334077224.db2.gz BQVJAPHVAVIKLD-ZIAGYGMSSA-N 0 3 282.428 3.188 20 30 CGEDHN C[C@H](C#N)CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000237335200 334086463 /nfs/dbraw/zinc/08/64/63/334086463.db2.gz OMXDCXKFCYCCOP-CYBMUJFWSA-N 0 3 291.826 3.054 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000079324121 334151538 /nfs/dbraw/zinc/15/15/38/334151538.db2.gz LEVHCRAJKVHGDZ-HOTGVXAUSA-N 0 3 288.435 3.459 20 30 CGEDHN C=CCN(CC=C)C(=O)CNC(C)(C)c1ccccc1C ZINC000549868504 334207732 /nfs/dbraw/zinc/20/77/32/334207732.db2.gz XCQUEWCRDXFPOG-UHFFFAOYSA-N 0 3 286.419 3.020 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@]1(O)CCCC1(C)C ZINC000550252060 334217228 /nfs/dbraw/zinc/21/72/28/334217228.db2.gz VPURJKFUXWUXEQ-SFHVURJKSA-N 0 3 289.419 3.282 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000249116873 334328186 /nfs/dbraw/zinc/32/81/86/334328186.db2.gz WLTSRMRCLQIFLF-FGTMMUONSA-N 0 3 281.403 3.431 20 30 CGEDHN C=CCCCNCc1nc2cc(Cl)ccc2n1C ZINC000556092452 334495068 /nfs/dbraw/zinc/49/50/68/334495068.db2.gz VXHXJCUOYZDGPI-UHFFFAOYSA-N 0 3 263.772 3.283 20 30 CGEDHN N#CCC[C@H](C#N)CNCCCSc1ccccc1 ZINC000564845130 334523746 /nfs/dbraw/zinc/52/37/46/334523746.db2.gz VGDCUXODKAKFDX-CQSZACIVSA-N 0 3 273.405 3.202 20 30 CGEDHN Cc1nc(C)c(CCNCc2ccc(C#N)s2)s1 ZINC000176966145 335348487 /nfs/dbraw/zinc/34/84/87/335348487.db2.gz WXCNDFBXGBLUEY-UHFFFAOYSA-N 0 3 277.418 3.025 20 30 CGEDHN N#Cc1ccc(CNCCc2cc(F)ccc2F)s1 ZINC000176981201 335351168 /nfs/dbraw/zinc/35/11/68/335351168.db2.gz ZDTOVLHBKQVCIY-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN COc1ccc([C@@H](CCC#N)NC[C@@](C)(O)C(C)C)cc1 ZINC000577575522 335371855 /nfs/dbraw/zinc/37/18/55/335371855.db2.gz GZYBOYCVXPSEOZ-IAGOWNOFSA-N 0 3 290.407 3.037 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](NC1CCC(C)(C#N)CC1)CO2 ZINC000579434835 335753974 /nfs/dbraw/zinc/75/39/74/335753974.db2.gz RPRPJNWYLBCOCE-GULBITTBSA-N 0 3 270.376 3.491 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1cc(C)cc(C)c1 ZINC000182881165 335848724 /nfs/dbraw/zinc/84/87/24/335848724.db2.gz DOBCJIKMCJLTGZ-MRXNPFEDSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000581239073 336029203 /nfs/dbraw/zinc/02/92/03/336029203.db2.gz FIHWAQAKAUWBMS-SXSDINLZSA-N 0 3 257.377 3.367 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000581947120 336174900 /nfs/dbraw/zinc/17/49/00/336174900.db2.gz OEBLRRHDVAVKDU-AWEZNQCLSA-N 0 3 285.347 3.088 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000358436810 533974488 /nfs/dbraw/zinc/97/44/88/533974488.db2.gz TUZMVJJCUSNTQZ-OBJOEFQTSA-N 0 3 276.355 3.163 20 30 CGEDHN CS[C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358555536 534060605 /nfs/dbraw/zinc/06/06/05/534060605.db2.gz AKYXABRPYMMNCW-NXEZZACHSA-N 0 3 252.358 3.099 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CC#N)CC1 ZINC000334607455 534081948 /nfs/dbraw/zinc/08/19/48/534081948.db2.gz KVHWVTQBWZPABD-ZDUSSCGKSA-N 0 3 253.349 3.245 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCn1cc(Cl)cn1 ZINC000425530039 534082173 /nfs/dbraw/zinc/08/21/73/534082173.db2.gz DEDIVIPXLSNINW-LBPRGKRZSA-N 0 3 288.782 3.101 20 30 CGEDHN CC(C#N)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000354679712 534284186 /nfs/dbraw/zinc/28/41/86/534284186.db2.gz RVBFTPVHXKCAPN-CXAGYDPISA-N 0 3 296.345 3.385 20 30 CGEDHN N#Cc1csc(CNCC[C@@H]2CCc3ccccc32)n1 ZINC000449374316 534829764 /nfs/dbraw/zinc/82/97/64/534829764.db2.gz FIZOHERSIBOPMO-ZDUSSCGKSA-N 0 3 283.400 3.224 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H](SCC)C1 ZINC000350898410 526519853 /nfs/dbraw/zinc/51/98/53/526519853.db2.gz VXBJTIBVFPBBGY-OAHLLOKOSA-N 0 3 298.496 3.019 20 30 CGEDHN C=C(C)CN(CC[C@@H]1CCCCO1)Cc1ccc(CO)o1 ZINC000352797983 526553067 /nfs/dbraw/zinc/55/30/67/526553067.db2.gz WURUBKTXSAAXIG-HNNXBMFYSA-N 0 3 293.407 3.109 20 30 CGEDHN C=C(CNCc1cc(OC)c(O)c(OC)c1)c1ccccc1 ZINC000347828314 526882053 /nfs/dbraw/zinc/88/20/53/526882053.db2.gz NJPWZYIHRFSUGL-UHFFFAOYSA-N 0 3 299.370 3.212 20 30 CGEDHN C=C(CN[C@@H](C)CC(=O)OC(C)(C)C)c1ccccc1 ZINC000353842252 526882786 /nfs/dbraw/zinc/88/27/86/526882786.db2.gz JZWQYCUADBEWKZ-AWEZNQCLSA-N 0 3 275.392 3.410 20 30 CGEDHN C=CCCCCCN(C)C(=O)c1ccc2c(c1)CNC2 ZINC000347533368 527127538 /nfs/dbraw/zinc/12/75/38/527127538.db2.gz WMFZKOSXPREMDR-UHFFFAOYSA-N 0 3 272.392 3.108 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCn2ccnc2C1)c1ccco1 ZINC000353675721 527487824 /nfs/dbraw/zinc/48/78/24/527487824.db2.gz WCYQMMHEOSYTDB-KGLIPLIRSA-N 0 3 271.364 3.088 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CC[C@@H](C(=O)OC)C1)c1ccco1 ZINC000353601113 527488663 /nfs/dbraw/zinc/48/86/63/527488663.db2.gz AOHIYOHWRIEEGU-MCIONIFRSA-N 0 3 277.364 3.218 20 30 CGEDHN CC(C)[C@H]1C[C@H](CNC(=O)C(C)C#N)c2ccccc21 ZINC000344716740 527880141 /nfs/dbraw/zinc/88/01/41/527880141.db2.gz NHFBLCXXVUKDDL-XJKCOSOUSA-N 0 3 270.376 3.189 20 30 CGEDHN CC(C)COCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358571189 528095709 /nfs/dbraw/zinc/09/57/09/528095709.db2.gz OOLNBQHNHKVJRT-ZDUSSCGKSA-N 0 3 278.371 3.411 20 30 CGEDHN CCCC[C@@H](NC(=O)C(C)C#N)c1ccc(OC)cc1 ZINC000347132805 528843189 /nfs/dbraw/zinc/84/31/89/528843189.db2.gz KCXDUUPUUIHUMW-IUODEOHRSA-N 0 3 274.364 3.202 20 30 CGEDHN CCc1ccccc1CNCc1cc(C#N)cs1 ZINC000093492684 535939783 /nfs/dbraw/zinc/93/97/83/535939783.db2.gz YXVYHUWSZLFYBS-UHFFFAOYSA-N 0 3 256.374 3.472 20 30 CGEDHN CCCCCCCCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000731116194 572395934 /nfs/dbraw/zinc/39/59/34/572395934.db2.gz LGRAPJSXQCJLBN-MRXNPFEDSA-N 0 3 297.487 3.378 20 30 CGEDHN C[C@H]1CC(N=Nc2nccc3sccc32)CCN1C ZINC000741461738 572499702 /nfs/dbraw/zinc/49/97/02/572499702.db2.gz PXKFKNLWBUQEJJ-JTQLQIEISA-N 0 3 274.393 3.178 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@]2(C)CCOC2)c([O-])c1 ZINC000733080898 572506871 /nfs/dbraw/zinc/50/68/71/572506871.db2.gz FPDNPSGSLRBJLQ-PBXDPIQXSA-N 0 3 290.407 3.084 20 30 CGEDHN C=CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccncc1 ZINC000742371195 572569288 /nfs/dbraw/zinc/56/92/88/572569288.db2.gz JNAVQHITSRLERJ-KRWDZBQOSA-N 0 3 293.370 3.369 20 30 CGEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000743492597 572666814 /nfs/dbraw/zinc/66/68/14/572666814.db2.gz WSMCJZJNZWIBFV-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C[C@@H](C1CC1)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000735309900 572714082 /nfs/dbraw/zinc/71/40/82/572714082.db2.gz MZNWBZXWNOOUBV-NSHDSACASA-N 0 3 278.783 3.473 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@@H]3CCCO3)nc21 ZINC000735787921 572739816 /nfs/dbraw/zinc/73/98/16/572739816.db2.gz AIJQWOIVZMVAJE-QWHCGFSZSA-N 0 3 297.358 3.007 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@@H]3CCCO3)[nH]c21 ZINC000735787921 572739820 /nfs/dbraw/zinc/73/98/20/572739820.db2.gz AIJQWOIVZMVAJE-QWHCGFSZSA-N 0 3 297.358 3.007 20 30 CGEDHN C=CCOc1ccc(CN[C@@](C)(CC)CC(=O)OC)cc1 ZINC000748241967 572969870 /nfs/dbraw/zinc/96/98/70/572969870.db2.gz HURUBYIPQFTTML-KRWDZBQOSA-N 0 3 291.391 3.073 20 30 CGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCCCCCC1 ZINC000748806398 572984746 /nfs/dbraw/zinc/98/47/46/572984746.db2.gz YPYZQFGDXQQAGK-QGZVFWFLSA-N 0 3 293.455 3.086 20 30 CGEDHN CCCCCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821056105 607470808 /nfs/dbraw/zinc/47/08/08/607470808.db2.gz KRUJBAZSRMZNPT-UHFFFAOYSA-N 0 3 291.374 3.066 20 30 CGEDHN CCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821056105 607470811 /nfs/dbraw/zinc/47/08/11/607470811.db2.gz KRUJBAZSRMZNPT-UHFFFAOYSA-N 0 3 291.374 3.066 20 30 CGEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894254 608312031 /nfs/dbraw/zinc/31/20/31/608312031.db2.gz LKKQKRMLFVYNAC-ZDUSSCGKSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894254 608312033 /nfs/dbraw/zinc/31/20/33/608312033.db2.gz LKKQKRMLFVYNAC-ZDUSSCGKSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000823893981 608312059 /nfs/dbraw/zinc/31/20/59/608312059.db2.gz CXKIDJBTBDEBHS-CYBMUJFWSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000823893981 608312060 /nfs/dbraw/zinc/31/20/60/608312060.db2.gz CXKIDJBTBDEBHS-CYBMUJFWSA-N 0 3 285.395 3.091 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC000970946588 613298398 /nfs/dbraw/zinc/29/83/98/613298398.db2.gz CYNMMEOPSOAWCV-CQSZACIVSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968188889 613323610 /nfs/dbraw/zinc/32/36/10/613323610.db2.gz DVOPCJXDNRFXNC-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841310 613333177 /nfs/dbraw/zinc/33/31/77/613333177.db2.gz YWSHTSBBPFYXPD-RDJZCZTQSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968659461 613333529 /nfs/dbraw/zinc/33/35/29/613333529.db2.gz GDBGMLDKBPBWOU-DOTOQJQBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974914093 613341383 /nfs/dbraw/zinc/34/13/83/613341383.db2.gz FWOAUXFHYQZTQQ-HOTGVXAUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709095 613530255 /nfs/dbraw/zinc/53/02/55/613530255.db2.gz HCXKBBNNZFLXDA-JSGCOSHPSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC000980514009 613615896 /nfs/dbraw/zinc/61/58/96/613615896.db2.gz CDWRTTLAFPPJAC-AEFFLSMTSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(CCC)s2)C1 ZINC000971613558 613636585 /nfs/dbraw/zinc/63/65/85/613636585.db2.gz OJCJGCJABDNOFT-ZDUSSCGKSA-N 0 3 292.448 3.033 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)C(CC)(CC)CC)C2)C1 ZINC000982088159 613677492 /nfs/dbraw/zinc/67/74/92/613677492.db2.gz ICZLDYICHGUZDM-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC000968991509 613684280 /nfs/dbraw/zinc/68/42/80/613684280.db2.gz ZOKXBOQJJGJQRW-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)C[C@H]1C ZINC000947776822 613760325 /nfs/dbraw/zinc/76/03/25/613760325.db2.gz YNEAVMGSYFYAGK-ZYHUDNBSSA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001021102455 617896850 /nfs/dbraw/zinc/89/68/50/617896850.db2.gz LFNHTSUOJVYQQO-YIKOMLBNSA-N 0 3 298.858 3.048 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@@]1(C)Br ZINC000891605006 618241537 /nfs/dbraw/zinc/24/15/37/618241537.db2.gz VXDBRLBHKMQQQW-UONOGXRCSA-N 0 3 293.208 3.164 20 30 CGEDHN C=CCCCCCN(C)Cc1cn(C)nc1C1CC1 ZINC000892069585 618517020 /nfs/dbraw/zinc/51/70/20/618517020.db2.gz NNUMQULVMLYLBZ-UHFFFAOYSA-N 0 3 261.413 3.476 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1ccc(-c2ccccn2)nc1 ZINC000934461580 618624901 /nfs/dbraw/zinc/62/49/01/618624901.db2.gz YUGTXRQRYPDMIL-OAHLLOKOSA-N 0 3 265.360 3.294 20 30 CGEDHN C=CCC1(CN[C@@H]2C[C@H](C)n3ncnc32)CCCC1 ZINC000926538607 618730329 /nfs/dbraw/zinc/73/03/29/618730329.db2.gz AIGMHAMOLPPCCD-QWHCGFSZSA-N 0 3 260.385 3.010 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926544712 618732674 /nfs/dbraw/zinc/73/26/74/618732674.db2.gz DPUHEHZMXMRRJB-DZGCQCFKSA-N 0 3 286.375 3.319 20 30 CGEDHN C=CCCSCC[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926684660 618820612 /nfs/dbraw/zinc/82/06/12/618820612.db2.gz HYWKOOTUNATEKL-LLVKDONJSA-N 0 3 269.385 3.491 20 30 CGEDHN Cc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000926797240 618896116 /nfs/dbraw/zinc/89/61/16/618896116.db2.gz RONXHGOBKJXARC-LBPRGKRZSA-N 0 3 275.352 3.321 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(OCC#N)cc1 ZINC000314525684 618999638 /nfs/dbraw/zinc/99/96/38/618999638.db2.gz YZBGBPWGFDVHNQ-AWEZNQCLSA-N 0 3 291.354 3.311 20 30 CGEDHN Cn1cc(CN2CCC(CC#N)CC2)c(C2CCCC2)n1 ZINC000893487157 619190687 /nfs/dbraw/zinc/19/06/87/619190687.db2.gz KNLDCMNCDSJVHU-UHFFFAOYSA-N 0 3 286.423 3.203 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@H](Cc2nccs2)C1 ZINC000932205302 619309810 /nfs/dbraw/zinc/30/98/10/619309810.db2.gz WCTRXUTZQQHCJE-STQMWFEESA-N 0 3 263.410 3.090 20 30 CGEDHN CCCN(Cc1n[nH]c(C)c1C)Cc1ccc(C#N)cc1 ZINC000893952932 619340190 /nfs/dbraw/zinc/34/01/90/619340190.db2.gz WZJMNGFFXWYTNT-UHFFFAOYSA-N 0 3 282.391 3.310 20 30 CGEDHN C#CC1(O)CCN(Cc2ccc(C(C)(C)C)s2)CC1 ZINC000895382255 619817871 /nfs/dbraw/zinc/81/78/71/619817871.db2.gz AYKQLZUMCATZPT-UHFFFAOYSA-N 0 3 277.433 3.006 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1ccsc1C(F)(F)F ZINC000895713695 619874123 /nfs/dbraw/zinc/87/41/23/619874123.db2.gz SDNRXADRRKSMNF-JTQLQIEISA-N 0 3 279.327 3.184 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCCc2cccnc21 ZINC000897070751 620134802 /nfs/dbraw/zinc/13/48/02/620134802.db2.gz OCRRKXXCLVCPDP-GDBMZVCRSA-N 0 3 299.418 3.148 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(CC)COC2)c([O-])c1 ZINC000840711322 620136096 /nfs/dbraw/zinc/13/60/96/620136096.db2.gz YMJUTERFMXEBQZ-VCHYOVAHSA-N 0 3 290.407 3.084 20 30 CGEDHN Cc1cc(F)c(CNC2CCC(C#N)CC2)c(F)c1 ZINC000897213041 620162504 /nfs/dbraw/zinc/16/25/04/620162504.db2.gz NMAHYHNFLQMXBH-UHFFFAOYSA-N 0 3 264.319 3.445 20 30 CGEDHN COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925144404 620180374 /nfs/dbraw/zinc/18/03/74/620180374.db2.gz NMYSHWSGPVUFDJ-SWLSCSKDSA-N 0 3 288.391 3.437 20 30 CGEDHN C#CCC1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCC1 ZINC000897350648 620222113 /nfs/dbraw/zinc/22/21/13/620222113.db2.gz HHCOKDKPARGIGQ-UHFFFAOYSA-N 0 3 279.767 3.090 20 30 CGEDHN CC[C@H]1CCC[C@H](CNCc2nc(C#N)cs2)C1 ZINC000897628172 620413482 /nfs/dbraw/zinc/41/34/82/620413482.db2.gz DLDXKXPQBOYXIM-RYUDHWBXSA-N 0 3 263.410 3.321 20 30 CGEDHN CC[C@H](C[C@@H](C)CC)NCc1nc(C#N)cs1 ZINC000897629632 620414438 /nfs/dbraw/zinc/41/44/38/620414438.db2.gz WLGWFJPEQWZJJQ-WDEREUQCSA-N 0 3 251.399 3.319 20 30 CGEDHN N#Cc1csc(CNCCC2CCCCCC2)n1 ZINC000897629513 620414558 /nfs/dbraw/zinc/41/45/58/620414558.db2.gz KDQDBSHQROFKNH-UHFFFAOYSA-N 0 3 263.410 3.465 20 30 CGEDHN C=CCCCN(CC)Cc1c(C2CCC2)cnn1C ZINC000898244627 620496691 /nfs/dbraw/zinc/49/66/91/620496691.db2.gz NGPBMCAREYMCHL-UHFFFAOYSA-N 0 3 261.413 3.476 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1cnn(-c2ccccc2)c1 ZINC000924627034 620545708 /nfs/dbraw/zinc/54/57/08/620545708.db2.gz RTCXQHZBJXQYLQ-CQSZACIVSA-N 0 3 282.391 3.290 20 30 CGEDHN CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1c(C)cc(N)cc1C ZINC000901298217 620856031 /nfs/dbraw/zinc/85/60/31/620856031.db2.gz BUFXZSIPSUHAQQ-CHWSQXEVSA-N 0 3 289.423 3.155 20 30 CGEDHN CC[C@@H](NCc1ccc(N(C)C)nc1)c1cccc(C#N)c1 ZINC000902740878 621413875 /nfs/dbraw/zinc/41/38/75/621413875.db2.gz FNDVCBNCMDBFOP-QGZVFWFLSA-N 0 3 294.402 3.260 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C)ncn1)[C@]1(C)CCCCO1 ZINC000902887335 621485461 /nfs/dbraw/zinc/48/54/61/621485461.db2.gz HPOFDWUJGATXBB-SJORKVTESA-N 0 3 289.423 3.169 20 30 CGEDHN C=CCC[C@H](NCc1cc(C)ncn1)[C@]1(C)CCCCO1 ZINC000902887334 621486244 /nfs/dbraw/zinc/48/62/44/621486244.db2.gz HPOFDWUJGATXBB-IRXDYDNUSA-N 0 3 289.423 3.169 20 30 CGEDHN C[C@H](NC[C@H]1CCCCC1(F)F)c1cc(C#N)ccn1 ZINC000903003441 621527374 /nfs/dbraw/zinc/52/73/74/621527374.db2.gz UJPSUTTZOUTNEY-WCQYABFASA-N 0 3 279.334 3.429 20 30 CGEDHN C=CCC[C@H](NCc1nccn1CC)[C@@]1(C)CCCCO1 ZINC000903006119 621529153 /nfs/dbraw/zinc/52/91/53/621529153.db2.gz DLOIGJROYPUOQD-DOTOQJQBSA-N 0 3 291.439 3.287 20 30 CGEDHN C=CCC[C@@H](NCc1nccn1CC)[C@]1(C)CCCCO1 ZINC000903006122 621529399 /nfs/dbraw/zinc/52/93/99/621529399.db2.gz DLOIGJROYPUOQD-WBVHZDCISA-N 0 3 291.439 3.287 20 30 CGEDHN C[C@H](NC1([C@@H]2CCCCO2)CCC1)c1cc(C#N)ccn1 ZINC000903081682 621562174 /nfs/dbraw/zinc/56/21/74/621562174.db2.gz XACKFNNTMMZFSG-BBRMVZONSA-N 0 3 285.391 3.096 20 30 CGEDHN Cc1cccc(C[C@H](NCC(C)(C)C#N)C2CC2)c1 ZINC000903100011 621573201 /nfs/dbraw/zinc/57/32/01/621573201.db2.gz FZEWBRGZVRHGLF-INIZCTEOSA-N 0 3 256.393 3.456 20 30 CGEDHN COC1([C@H](C)NCC2(C#N)CCCC2)CCCCC1 ZINC000903109609 621582853 /nfs/dbraw/zinc/58/28/53/621582853.db2.gz SODXPDVYHZFLIK-AWEZNQCLSA-N 0 3 264.413 3.398 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nc(CN(C)C)cs2)C1 ZINC000903220951 621634050 /nfs/dbraw/zinc/63/40/50/621634050.db2.gz RSVDSYYUFDVRKE-OLZOCXBDSA-N 0 3 279.453 3.039 20 30 CGEDHN Cc1cc(C)c(/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000905079625 622032411 /nfs/dbraw/zinc/03/24/11/622032411.db2.gz CRJBRDBIODPENI-CWZJEYLYSA-N 0 3 267.332 3.044 20 30 CGEDHN CC(C)c1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905087167 622033950 /nfs/dbraw/zinc/03/39/50/622033950.db2.gz WNJMYXADPXBXHN-KYJZABPNSA-N 0 3 267.332 3.242 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(Cc1cccs1)C(C)C ZINC000912426967 622653972 /nfs/dbraw/zinc/65/39/72/622653972.db2.gz WLMARPHMUAUCTB-AWEZNQCLSA-N 0 3 280.437 3.169 20 30 CGEDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(C#N)cc1 ZINC000226583906 622986244 /nfs/dbraw/zinc/98/62/44/622986244.db2.gz FIWCCRXLMJHRHE-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000158126572 623007032 /nfs/dbraw/zinc/00/70/32/623007032.db2.gz YXDFQQCSUGZIAE-AWEZNQCLSA-N 0 3 256.349 3.151 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccnc2)c([O-])c1 ZINC000060802628 623071643 /nfs/dbraw/zinc/07/16/43/623071643.db2.gz MKMHHFNEFCQTHG-CPNJWEJPSA-N 0 3 283.375 3.253 20 30 CGEDHN C=CC[NH+]1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000171647806 623182589 /nfs/dbraw/zinc/18/25/89/623182589.db2.gz CLXFACRUVJIRPZ-GZTJUZNOSA-N 0 3 278.783 3.115 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@](C)(CO)c1ccccc1 ZINC000929602733 623476522 /nfs/dbraw/zinc/47/65/22/623476522.db2.gz HUTHYNDXTALUIX-LJQANCHMSA-N 0 3 294.398 3.172 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992988090 623775401 /nfs/dbraw/zinc/77/54/01/623775401.db2.gz UYEKKKKLYBKKIR-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993036727 623799878 /nfs/dbraw/zinc/79/98/78/623799878.db2.gz LTYRHVVYXZASRE-NWDGAFQWSA-N 0 3 296.798 3.092 20 30 CGEDHN CO[C@H](CNCc1csc(C#N)c1)c1ccccc1 ZINC000921577828 625684789 /nfs/dbraw/zinc/68/47/89/625684789.db2.gz JGZFEWFBQOIZPM-OAHLLOKOSA-N 0 3 272.373 3.097 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993196458 623940795 /nfs/dbraw/zinc/94/07/95/623940795.db2.gz INLQXODTBHEABC-NVXWUHKLSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(Br)CN[C@H](C)Cc1cccs1 ZINC000070851706 625038995 /nfs/dbraw/zinc/03/89/95/625038995.db2.gz CXLFRXWILWIMIT-SECBINFHSA-N 0 3 260.200 3.177 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC001000880823 625883438 /nfs/dbraw/zinc/88/34/38/625883438.db2.gz XCKIHPYIHZGLDE-SJORKVTESA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001005449879 626090521 /nfs/dbraw/zinc/09/05/21/626090521.db2.gz ZIAACOLLAXTWRL-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2c(C)cccc2C)CC1 ZINC001006041805 626145361 /nfs/dbraw/zinc/14/53/61/626145361.db2.gz IGAQXAPXKIKFCT-UHFFFAOYSA-N 0 3 286.419 3.026 20 30 CGEDHN CCC#C[C@@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000752857721 626441062 /nfs/dbraw/zinc/44/10/62/626441062.db2.gz XTMMWLLVYMSWKM-MRXNPFEDSA-N 0 3 286.419 3.009 20 30 CGEDHN C#CCN(Cc1cccc(Br)c1)CC1CC1 ZINC000753203267 626447730 /nfs/dbraw/zinc/44/77/30/626447730.db2.gz FHMKVBNMKNSMJT-UHFFFAOYSA-N 0 3 278.193 3.294 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)nc1 ZINC000753537560 626454400 /nfs/dbraw/zinc/45/44/00/626454400.db2.gz RHWCFASBXXKDDE-CQSZACIVSA-N 0 3 287.322 3.428 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc(C)s1 ZINC000754672068 626581694 /nfs/dbraw/zinc/58/16/94/626581694.db2.gz SXQMCUQCNQQXJF-ZDUSSCGKSA-N 0 3 280.437 3.132 20 30 CGEDHN C=C(Cl)CN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000839590275 626763362 /nfs/dbraw/zinc/76/33/62/626763362.db2.gz TYXJPFWAIPDOFP-MHEUCROKSA-N 0 3 271.832 3.391 20 30 CGEDHN C#C[C@H](NCc1ccc(OCCC)c(OC)c1)C(C)C ZINC000809685124 626763715 /nfs/dbraw/zinc/76/37/15/626763715.db2.gz APKKGXFYCKYJRE-HNNXBMFYSA-N 0 3 275.392 3.231 20 30 CGEDHN C=C(Cl)CN(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760879247 626999087 /nfs/dbraw/zinc/99/90/87/626999087.db2.gz SUIWKMLIOAMZIS-INIZCTEOSA-N 0 3 278.827 3.335 20 30 CGEDHN C#CCN(CC)Cc1cccc(Br)c1C ZINC000761668320 627055639 /nfs/dbraw/zinc/05/56/39/627055639.db2.gz BBFVQPGSYLZZGI-UHFFFAOYSA-N 0 3 266.182 3.213 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc(Cl)c(Cl)c2)CN1C ZINC000761805440 627061266 /nfs/dbraw/zinc/06/12/66/627061266.db2.gz DCIDYHOXNDZGAC-QMMMGPOBSA-N 0 3 272.179 3.485 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc(Cl)c(Cl)c2)CN1C ZINC000761805438 627061627 /nfs/dbraw/zinc/06/16/27/627061627.db2.gz DCIDYHOXNDZGAC-MRVPVSSYSA-N 0 3 272.179 3.485 20 30 CGEDHN C=C(C)CN(CC)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000764156839 627197385 /nfs/dbraw/zinc/19/73/85/627197385.db2.gz QJGWATDKKITXAU-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000766572235 627345027 /nfs/dbraw/zinc/34/50/27/627345027.db2.gz OFKUOFCXSRJKNC-OLZOCXBDSA-N 0 3 255.365 3.406 20 30 CGEDHN C#CCCCN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000766918968 627371022 /nfs/dbraw/zinc/37/10/22/627371022.db2.gz ADJQXZFYLNZMSF-QGZVFWFLSA-N 0 3 268.335 3.313 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2cccs2)cc1 ZINC000768161346 627464483 /nfs/dbraw/zinc/46/44/83/627464483.db2.gz ZMNLEHLPAWJUKI-UHFFFAOYSA-N 0 3 271.385 3.392 20 30 CGEDHN CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c([O-])c1 ZINC000768263842 627471843 /nfs/dbraw/zinc/47/18/43/627471843.db2.gz XOHCWWMHYVUCFL-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c([O-])c1 ZINC000768263842 627471846 /nfs/dbraw/zinc/47/18/46/627471846.db2.gz XOHCWWMHYVUCFL-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000769447455 627553875 /nfs/dbraw/zinc/55/38/75/627553875.db2.gz ZMFBFGYTYHXUGH-LBPRGKRZSA-N 0 3 294.345 3.455 20 30 CGEDHN C#C[C@@H](C)N(C)CCOc1ccc2ccccc2c1 ZINC000769963635 627593205 /nfs/dbraw/zinc/59/32/05/627593205.db2.gz ZEEFOFBQHCSBLC-CQSZACIVSA-N 0 3 253.345 3.172 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)c(C)n1 ZINC000772957827 627835244 /nfs/dbraw/zinc/83/52/44/627835244.db2.gz HSRNKDDXDLHMAX-CQSZACIVSA-N 0 3 295.386 3.452 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000775134703 628066897 /nfs/dbraw/zinc/06/68/97/628066897.db2.gz DKVVFFNNYVTMJD-AWEZNQCLSA-N 0 3 297.320 3.473 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@](C)(CC)c1ccccc1 ZINC000775387695 628088724 /nfs/dbraw/zinc/08/87/24/628088724.db2.gz LNPNUUXNBLNNBU-GOSISDBHSA-N 0 3 286.419 3.102 20 30 CGEDHN C#CC[C@@H](NC[C@@H](O)c1ccccc1F)c1ccccc1 ZINC000775398799 628090567 /nfs/dbraw/zinc/09/05/67/628090567.db2.gz LYZBKZJLVFCVJM-QZTJIDSGSA-N 0 3 283.346 3.213 20 30 CGEDHN CN(C)c1ccncc1C=[NH+][N-]c1cc(F)c(F)cc1F ZINC000776186918 628177195 /nfs/dbraw/zinc/17/71/95/628177195.db2.gz YRMHGSBLHFMJBP-UHFFFAOYSA-N 0 3 294.280 3.011 20 30 CGEDHN FC(F)(F)c1ccc([C@@H]2CCCC2=Nn2cnnc2)cc1 ZINC000776757770 628230136 /nfs/dbraw/zinc/23/01/36/628230136.db2.gz ZTQXEFKDIDQEID-LBPRGKRZSA-N 0 3 294.280 3.469 20 30 CGEDHN C#CCCCCCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000780381552 628485551 /nfs/dbraw/zinc/48/55/51/628485551.db2.gz PYWQHQWCQRDPOM-SFHVURJKSA-N 0 3 299.414 3.388 20 30 CGEDHN CCCCCCCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000781189528 628546172 /nfs/dbraw/zinc/54/61/72/628546172.db2.gz NBDGDKMPCWYGKF-AWEZNQCLSA-N 0 3 266.429 3.114 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781973683 628608500 /nfs/dbraw/zinc/60/85/00/628608500.db2.gz KDRWXYTVXFEKFP-CQSZACIVSA-N 0 3 294.439 3.168 20 30 CGEDHN COc1ccc(N=NC2CN(C3CC3)C[C@@H]2C)cc1Cl ZINC000782230517 628627732 /nfs/dbraw/zinc/62/77/32/628627732.db2.gz OMOBNXQPNCFIEM-JTQLQIEISA-N 0 3 293.798 3.231 20 30 CGEDHN CN(CCC#N)c1ccc(C=NNCCC(C)(C)C)cc1 ZINC000782908570 628667518 /nfs/dbraw/zinc/66/75/18/628667518.db2.gz WBIYGHVIXCXRRI-UHFFFAOYSA-N 0 3 286.423 3.396 20 30 CGEDHN N#Cc1ccc(CNC2CC(c3ccccc3F)C2)nc1 ZINC000783299380 628700832 /nfs/dbraw/zinc/70/08/32/628700832.db2.gz BJNUTVBWSQXXDS-UHFFFAOYSA-N 0 3 281.334 3.128 20 30 CGEDHN C[C@H](NC[C@@H]1CCC=CO1)c1ccc(C#N)cc1F ZINC000783310541 628702497 /nfs/dbraw/zinc/70/24/97/628702497.db2.gz PIUORKIDVOAGAY-AAEUAGOBSA-N 0 3 260.312 3.041 20 30 CGEDHN C=CCCN(C)Cn1ncc2c1cccc2Br ZINC000786101457 628914260 /nfs/dbraw/zinc/91/42/60/628914260.db2.gz GFWPLTAQLOKDRV-UHFFFAOYSA-N 0 3 294.196 3.264 20 30 CGEDHN CCN(C)c1ccc(C=NNCC2(C)CCCC2)cn1 ZINC000793084318 629409179 /nfs/dbraw/zinc/40/91/79/629409179.db2.gz KZNCFCKAAOVJMV-UHFFFAOYSA-N 0 3 274.412 3.042 20 30 CGEDHN C=C(Br)CN[C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794600834 629559726 /nfs/dbraw/zinc/55/97/26/629559726.db2.gz BCKYGUOOCJEZNR-KGLIPLIRSA-N 0 3 298.224 3.243 20 30 CGEDHN CC#Cc1cccc(-c2cccc([C@@H]3CNCCO3)c2)c1 ZINC000863691703 629649288 /nfs/dbraw/zinc/64/92/88/629649288.db2.gz RTWXTPZAEQDYFO-IBGZPJMESA-N 0 3 277.367 3.386 20 30 CGEDHN CCCCCCCN[C@@H](c1nncn1C)C(C)C ZINC000796186623 629751338 /nfs/dbraw/zinc/75/13/38/629751338.db2.gz OMMXFRPVJUDLKF-CYBMUJFWSA-N 0 3 252.406 3.072 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCCOC1)c1ccc2ccccc2n1 ZINC000796630021 629807628 /nfs/dbraw/zinc/80/76/28/629807628.db2.gz TXBBKPRXTHIVCT-ZFWWWQNUSA-N 0 3 294.354 3.228 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](O)CC1CCCC1 ZINC000796638095 629808919 /nfs/dbraw/zinc/80/89/19/629808919.db2.gz FTALPGVUTUSATA-GOSISDBHSA-N 0 3 271.404 3.063 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC(C)(C)C2)c1 ZINC000796789625 629834912 /nfs/dbraw/zinc/83/49/12/629834912.db2.gz OHJQXLVCWGVWFN-AWEZNQCLSA-N 0 3 284.359 3.079 20 30 CGEDHN C[C@@H](C=Nn1cnnc1-c1ccccc1)C(C)(C)C ZINC000800810003 630300684 /nfs/dbraw/zinc/30/06/84/630300684.db2.gz ZYSQOXBANLXFNZ-LBPRGKRZSA-N 0 3 256.353 3.461 20 30 CGEDHN Cc1c2ccccc2oc1[C@@H](C)NCCO[C@H](C)C#N ZINC000801941106 630371970 /nfs/dbraw/zinc/37/19/70/630371970.db2.gz ILMWDOWOZIZGAH-DGCLKSJQSA-N 0 3 272.348 3.321 20 30 CGEDHN CCc1ccc(C2=CCN(CCO[C@@H](C)C#N)CC2)cc1 ZINC000801940832 630372132 /nfs/dbraw/zinc/37/21/32/630372132.db2.gz SDFABUQGLCSAQJ-HNNXBMFYSA-N 0 3 284.403 3.267 20 30 CGEDHN CCOc1ccc(C[NH2+]CC(C)(C)CCC#N)c([O-])c1 ZINC000808429762 630644459 /nfs/dbraw/zinc/64/44/59/630644459.db2.gz HKGNYQBIRRYRDL-UHFFFAOYSA-N 0 3 276.380 3.210 20 30 CGEDHN C#C[C@H](NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000809781265 630806567 /nfs/dbraw/zinc/80/65/67/630806567.db2.gz MLKJDWHTKQYGIV-HNNXBMFYSA-N 0 3 262.372 3.029 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810048241 630833595 /nfs/dbraw/zinc/83/35/95/630833595.db2.gz ZGCLSLBPEOGLJR-YJBOKZPZSA-N 0 3 269.388 3.258 20 30 CGEDHN COCCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000810536238 630886883 /nfs/dbraw/zinc/88/68/83/630886883.db2.gz OYDLCURPWUQLET-LLVKDONJSA-N 0 3 286.331 3.067 20 30 CGEDHN N#CCC1(OC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000810855344 630961896 /nfs/dbraw/zinc/96/18/96/630961896.db2.gz IOJYZGVQEDQVHO-UHFFFAOYSA-N 0 3 298.386 3.276 20 30 CGEDHN C#CCOc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000811512254 631080672 /nfs/dbraw/zinc/08/06/72/631080672.db2.gz JBZBQVZTYDSHCY-CYBMUJFWSA-N 0 3 279.330 3.176 20 30 CGEDHN C#C[C@@H](NCCCc1ccc(C)nc1)c1ccc(F)cc1 ZINC000812792230 631311105 /nfs/dbraw/zinc/31/11/05/631311105.db2.gz QHWQPPGCOJARNE-GOSISDBHSA-N 0 3 282.362 3.426 20 30 CGEDHN CC(C)CN(CCC#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000876530483 634852193 /nfs/dbraw/zinc/85/21/93/634852193.db2.gz SGYGKHGBVPQRRM-QGZVFWFLSA-N 0 3 285.435 3.385 20 30 CGEDHN C=CCN(C[C@@H](O)c1cc2ccccc2o1)C(C)C ZINC000815020587 631705220 /nfs/dbraw/zinc/70/52/20/631705220.db2.gz DPDRMPLIVJCINV-CQSZACIVSA-N 0 3 259.349 3.363 20 30 CGEDHN C[C@@H](C#N)OCCN1CCCC[C@@H]1Cc1ccccc1F ZINC000844413133 635893866 /nfs/dbraw/zinc/89/38/66/635893866.db2.gz FQBGSRYTCUYGRN-GOEBONIOSA-N 0 3 290.382 3.151 20 30 CGEDHN COc1cccc2c1OCCC[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000866341616 633088290 /nfs/dbraw/zinc/08/82/90/633088290.db2.gz OSNFREVEMVUSTG-NFAWXSAZSA-N 0 3 286.375 3.191 20 30 CGEDHN Cc1nc([C@@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)c(C)s1 ZINC000866617899 633217309 /nfs/dbraw/zinc/21/73/09/633217309.db2.gz RBECVHRKMWRJBK-QLJPJBMISA-N 0 3 297.427 3.450 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCn3nccc32)cc1 ZINC000866631520 633221978 /nfs/dbraw/zinc/22/19/78/633221978.db2.gz BOWMXWMENZTOHS-YOEHRIQHSA-N 0 3 295.386 3.081 20 30 CGEDHN C#CCCCCCCN1CCCN(CC(F)(F)F)CC1 ZINC000876567751 634859090 /nfs/dbraw/zinc/85/90/90/634859090.db2.gz DNDURUWUPPXBHP-UHFFFAOYSA-N 0 3 290.373 3.140 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@H](CC)c1ccccc1 ZINC000876598704 634865507 /nfs/dbraw/zinc/86/55/07/634865507.db2.gz OVGBHPHSZLDAHW-HUUCEWRRSA-N 0 3 294.826 3.456 20 30 CGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000829778447 633782940 /nfs/dbraw/zinc/78/29/40/633782940.db2.gz CFTFWALUWXAOKE-DLBZAZTESA-N 0 3 298.430 3.366 20 30 CGEDHN N#CC(C(=O)C1=CCCCCC1)c1nnc2n1CCCCC2 ZINC000123845618 633912106 /nfs/dbraw/zinc/91/21/06/633912106.db2.gz JTYYIRODAROLTC-AWEZNQCLSA-N 0 3 298.390 3.071 20 30 CGEDHN C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc([O-])c1F ZINC000872075157 633997906 /nfs/dbraw/zinc/99/79/06/633997906.db2.gz OYOTXEPJAZABFN-WOPDTQHZSA-N 0 3 262.328 3.264 20 30 CGEDHN C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc([O-])c1F ZINC000872094187 634018747 /nfs/dbraw/zinc/01/87/47/634018747.db2.gz ZRGXNSVBIKRRGB-ABAIWWIYSA-N 0 3 296.345 3.221 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(F)cccc1OCC ZINC000873120470 634250742 /nfs/dbraw/zinc/25/07/42/634250742.db2.gz RWIYLMNEEHTAMA-GUYCJALGSA-N 0 3 293.382 3.295 20 30 CGEDHN C=CC(C)(C)CCCNCc1cn(C2CCC2)nn1 ZINC000873152001 634259831 /nfs/dbraw/zinc/25/98/31/634259831.db2.gz VOCNDCVENJLCAI-UHFFFAOYSA-N 0 3 262.401 3.085 20 30 CGEDHN C#Cc1cccc(CN[C@@H]2CCc3c2cccc3OC)c1 ZINC000834902991 634279751 /nfs/dbraw/zinc/27/97/51/634279751.db2.gz NDORBIUKTIBOKL-GOSISDBHSA-N 0 3 277.367 3.454 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000876591954 634864237 /nfs/dbraw/zinc/86/42/37/634864237.db2.gz DBFBVLISOLROSK-KBPBESRZSA-N 0 3 294.826 3.360 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000877623880 635118344 /nfs/dbraw/zinc/11/83/44/635118344.db2.gz CSBFYVUADRZSMW-LBPRGKRZSA-N 0 3 272.348 3.322 20 30 CGEDHN C=CCCCCON=Cc1ccc(N2CCOCC2)cc1 ZINC000842016663 635253882 /nfs/dbraw/zinc/25/38/82/635253882.db2.gz BIUGBQGGARISBX-UHFFFAOYSA-N 0 3 288.391 3.230 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CCC(C)CC1)c1ccccc1 ZINC000877935286 635279641 /nfs/dbraw/zinc/27/96/41/635279641.db2.gz MTELRQZLVQGYMU-GOSISDBHSA-N 0 3 284.403 3.159 20 30 CGEDHN C#C[C@H](OC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000842328725 635330301 /nfs/dbraw/zinc/33/03/01/635330301.db2.gz PQACMZICIJQNKN-SFHVURJKSA-N 0 3 297.398 3.241 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](C)[C@H](C)C1)c1ccccc1 ZINC000878328804 635462721 /nfs/dbraw/zinc/46/27/21/635462721.db2.gz OWBPXCOSZLYGEY-GPMSIDNRSA-N 0 3 298.430 3.405 20 30 CGEDHN C#CC1CCN(Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000843429111 635673363 /nfs/dbraw/zinc/67/33/63/635673363.db2.gz VDKMWSIDVVDMIX-UHFFFAOYSA-N 0 3 287.403 3.328 20 30 CGEDHN CCCCCCCCN1CCc2nc(COC)ncc2C1 ZINC000879108073 635703453 /nfs/dbraw/zinc/70/34/53/635703453.db2.gz YLXCMEDRVJYVDF-UHFFFAOYSA-N 0 3 291.439 3.342 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000844439458 635901956 /nfs/dbraw/zinc/90/19/56/635901956.db2.gz IBMYFQMAIXMBBT-HNNXBMFYSA-N 0 3 292.329 3.188 20 30 CGEDHN C=CCC(C)(C)c1noc([C@@H]2CC[C@@H](C3CC3)N2)n1 ZINC000844919687 635983984 /nfs/dbraw/zinc/98/39/84/635983984.db2.gz MYFHWLOGBGLVGH-RYUDHWBXSA-N 0 3 261.369 3.126 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000880459825 636003720 /nfs/dbraw/zinc/00/37/20/636003720.db2.gz ZYQIFLGDGWMSNB-SFHVURJKSA-N 0 3 280.371 3.114 20 30 CGEDHN Cc1cccc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848398976 636566670 /nfs/dbraw/zinc/56/66/70/636566670.db2.gz HGDWMXUVKLQZKW-MRXNPFEDSA-N 0 3 257.381 3.411 20 30 CGEDHN Fc1cccc(F)c1N=NC1CCCN2CCCC[C@H]12 ZINC000848405867 636568777 /nfs/dbraw/zinc/56/87/77/636568777.db2.gz BNZZUYZRSLTNPN-CQSZACIVSA-N 0 3 279.334 3.381 20 30 CGEDHN C=CCC[C@H](NCc1cc(C(C)C)no1)[C@@H]1CCCO1 ZINC000883190023 636574738 /nfs/dbraw/zinc/57/47/38/636574738.db2.gz STMRVXXFKUOCFY-HOCLYGCPSA-N 0 3 278.396 3.401 20 30 CGEDHN C=CCC[C@H](NCc1nc2cc(C)ccc2[nH]1)[C@@H]1CCCO1 ZINC000883194376 636578051 /nfs/dbraw/zinc/57/80/51/636578051.db2.gz UQJCYRQELRDSTJ-RDJZCZTQSA-N 0 3 299.418 3.475 20 30 CGEDHN C=CCC[C@H](NCc1nc2ccc(C)cc2[nH]1)[C@@H]1CCCO1 ZINC000883194376 636578055 /nfs/dbraw/zinc/57/80/55/636578055.db2.gz UQJCYRQELRDSTJ-RDJZCZTQSA-N 0 3 299.418 3.475 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)NCc1cn(CC=C)nn1 ZINC000883230526 636601535 /nfs/dbraw/zinc/60/15/35/636601535.db2.gz JIALAXGQKRMXKA-QGZVFWFLSA-N 0 3 296.418 3.131 20 30 CGEDHN C#C[C@H](NCc1cn(-c2ccccc2F)nc1C)C(C)C ZINC000848911026 636686523 /nfs/dbraw/zinc/68/65/23/636686523.db2.gz RASCJVMRLZCJAH-INIZCTEOSA-N 0 3 285.366 3.067 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000848924343 636696089 /nfs/dbraw/zinc/69/60/89/636696089.db2.gz QKVCRTHNEOKKRP-LBPRGKRZSA-N 0 3 257.308 3.417 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(F)cc1Cl ZINC000883388883 636731891 /nfs/dbraw/zinc/73/18/91/636731891.db2.gz FPOMIPYNMCXWGO-JQWIXIFHSA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)cc(C)c2)CC1 ZINC001006346174 636859672 /nfs/dbraw/zinc/85/96/72/636859672.db2.gz YIEPPNLLRYUYBC-UHFFFAOYSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCCNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000850354262 637024142 /nfs/dbraw/zinc/02/41/42/637024142.db2.gz BSQCTQMLSGLEJE-UHFFFAOYSA-N 0 3 285.746 3.190 20 30 CGEDHN N#Cc1cccc(CNCc2cncc3ccccc32)c1 ZINC000135373416 637125896 /nfs/dbraw/zinc/12/58/96/637125896.db2.gz SECJDJAFGOABMF-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN C#CC[C@@H]1CCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886353184 637509798 /nfs/dbraw/zinc/50/97/98/637509798.db2.gz CZZFCNDJQGKYBI-HUUCEWRRSA-N 0 3 295.386 3.451 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000886356262 637510572 /nfs/dbraw/zinc/51/05/72/637510572.db2.gz XEEKFWSHVRUGQX-AWEZNQCLSA-N 0 3 296.370 3.195 20 30 CGEDHN C#CC[C@H]1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000886356384 637511744 /nfs/dbraw/zinc/51/17/44/637511744.db2.gz YVOUYBXSIHLFAQ-CABCVRRESA-N 0 3 295.386 3.451 20 30 CGEDHN C#CCN(C(=O)C[C@H](CC)C(C)(C)C)C1CCN(C)CC1 ZINC000886572459 637586440 /nfs/dbraw/zinc/58/64/40/637586440.db2.gz MWNYKOOSXZTAEY-HNNXBMFYSA-N 0 3 292.467 3.005 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H](c3ncccn3)C2)cc1C#N ZINC000886690226 637654976 /nfs/dbraw/zinc/65/49/76/637654976.db2.gz RRZCAKPYBPVJLF-MRXNPFEDSA-N 0 3 292.386 3.036 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886816793 637704345 /nfs/dbraw/zinc/70/43/45/637704345.db2.gz YOXMXMPNSUSHOH-WBVHZDCISA-N 0 3 289.806 3.192 20 30 CGEDHN C#CCC1(NCc2cccc(OC)c2Cl)CCOCC1 ZINC000887120367 637751671 /nfs/dbraw/zinc/75/16/71/637751671.db2.gz DKEDUQNAWXJFFL-UHFFFAOYSA-N 0 3 293.794 3.011 20 30 CGEDHN C=CCN(Cn1cnc2cc(C)c(C)cc21)[C@@H](C)COC ZINC000853533046 637862453 /nfs/dbraw/zinc/86/24/53/637862453.db2.gz SRHTWZJCHHUHAG-HNNXBMFYSA-N 0 3 287.407 3.134 20 30 CGEDHN C=CCC(C)(C)c1noc(C[C@H]2NCc3ccccc32)n1 ZINC000854158983 637998602 /nfs/dbraw/zinc/99/86/02/637998602.db2.gz LZAXSUJWHOLDPF-CQSZACIVSA-N 0 3 283.375 3.310 20 30 CGEDHN C#CCSCCN[C@H]1CCCc2c(Cl)ccnc21 ZINC000925452525 638505538 /nfs/dbraw/zinc/50/55/38/638505538.db2.gz CGLUEQRGCNERGH-ZDUSSCGKSA-N 0 3 280.824 3.068 20 30 CGEDHN C=CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC000857654280 638546357 /nfs/dbraw/zinc/54/63/57/638546357.db2.gz PVBOKTYCGSVMFM-MRXNPFEDSA-N 0 3 284.419 3.012 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858051152 638621386 /nfs/dbraw/zinc/62/13/86/638621386.db2.gz INYAMVXURGLFMW-XYPHTWIQSA-N 0 3 297.402 3.104 20 30 CGEDHN COC1(OC)CC[C@@H]1N[C@H](CCCC#N)c1ccccc1 ZINC000926478597 638775348 /nfs/dbraw/zinc/77/53/48/638775348.db2.gz AIUYUYQQQRKHOZ-CVEARBPZSA-N 0 3 288.391 3.163 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cccc(Br)n1 ZINC000926550678 638784151 /nfs/dbraw/zinc/78/41/51/638784151.db2.gz NIVRBIHTSSCVHV-SNVBAGLBSA-N 0 3 269.186 3.461 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc2c1OCO2 ZINC000926566671 638785991 /nfs/dbraw/zinc/78/59/91/638785991.db2.gz BDOVDYUPQAAGKX-LLVKDONJSA-N 0 3 260.337 3.006 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCc3cccnc32)C1 ZINC000927064490 638836691 /nfs/dbraw/zinc/83/66/91/638836691.db2.gz VTIMDYLILFJMSG-CFVMTHIKSA-N 0 3 255.365 3.131 20 30 CGEDHN CCN(CC1CCC(C#N)CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000930920326 639086608 /nfs/dbraw/zinc/08/66/08/639086608.db2.gz XEOZLFPHZXYKRF-WLYUNCDWSA-N 0 3 294.439 3.368 20 30 CGEDHN C[C@H](CO)[C@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930966976 639091555 /nfs/dbraw/zinc/09/15/55/639091555.db2.gz SFKAENDBIPKUFS-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@]1(C2CCCCC2)CCN1Cc1cncc(C#N)c1 ZINC000931572141 639173218 /nfs/dbraw/zinc/17/32/18/639173218.db2.gz XWKSVEDGQXXCPL-QGZVFWFLSA-N 0 3 269.392 3.498 20 30 CGEDHN CCc1cccc(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933646756 639473368 /nfs/dbraw/zinc/47/33/68/639473368.db2.gz OJQBISYKXYCDFX-UHFFFAOYSA-N 0 3 285.387 3.087 20 30 CGEDHN C[C@@H](c1ccccc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933651570 639474629 /nfs/dbraw/zinc/47/46/29/639474629.db2.gz MFLWOYPULVMNFC-AWEZNQCLSA-N 0 3 271.360 3.085 20 30 CGEDHN N#Cc1ccc(CN2CCCSC[C@H]2C2CC2)c(F)c1 ZINC000933917731 639508395 /nfs/dbraw/zinc/50/83/95/639508395.db2.gz HXMDBYLHWJANPM-INIZCTEOSA-N 0 3 290.407 3.415 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934333821 639586584 /nfs/dbraw/zinc/58/65/84/639586584.db2.gz RVTQYGNKLQFPEW-HNNXBMFYSA-N 0 3 283.400 3.079 20 30 CGEDHN C#CCCN1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934418777 639604945 /nfs/dbraw/zinc/60/49/45/639604945.db2.gz OQEVXYJLDIBPSR-UHFFFAOYSA-N 0 3 275.779 3.258 20 30 CGEDHN CSCC(C)(C)NCc1ccc(C#N)cc1Cl ZINC000934663746 639652417 /nfs/dbraw/zinc/65/24/17/639652417.db2.gz NBICWQXZZCHXOA-UHFFFAOYSA-N 0 3 268.813 3.443 20 30 CGEDHN N#CC(C(=O)CCn1ccc2ccccc21)c1ccccn1 ZINC000041492406 639904232 /nfs/dbraw/zinc/90/42/32/639904232.db2.gz VJTVLXPGRDWHTI-HNNXBMFYSA-N 0 3 289.338 3.303 20 30 CGEDHN C#CCN(Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000192068823 640347932 /nfs/dbraw/zinc/34/79/32/640347932.db2.gz ZAHITIBQBQNAGF-UHFFFAOYSA-N 0 3 256.324 3.075 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001007197089 640904233 /nfs/dbraw/zinc/90/42/33/640904233.db2.gz WATORPOSXGOGQL-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001007219399 640928330 /nfs/dbraw/zinc/92/83/30/640928330.db2.gz GUFDRUGPPOECMU-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001007395768 640942473 /nfs/dbraw/zinc/94/24/73/640942473.db2.gz JHMROPNHAOHFAA-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015990125 640988652 /nfs/dbraw/zinc/98/86/52/640988652.db2.gz GXPPDJBUWXKLQJ-ZDUSSCGKSA-N 0 3 290.432 3.006 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016158172 640993068 /nfs/dbraw/zinc/99/30/68/640993068.db2.gz ALHZVIHSHOUHIA-MRXNPFEDSA-N 0 3 294.398 3.220 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC001017864553 641017122 /nfs/dbraw/zinc/01/71/22/641017122.db2.gz KHNGEDGJGWXRRZ-NXOAAHMSSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)CCCC ZINC001157903703 805901640 /nfs/dbraw/zinc/90/16/40/805901640.db2.gz XRUADVIOTOHADL-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C[C@@H](NC[C@@H](O)c1ccccc1)c1ccccc1 ZINC001252016093 805975839 /nfs/dbraw/zinc/97/58/39/805975839.db2.gz VILIZAJGQSDYQB-IAGOWNOFSA-N 0 3 253.345 3.237 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](C)CC1 ZINC001158767953 806000808 /nfs/dbraw/zinc/00/08/08/806000808.db2.gz ABZSUPXNJHCVHJ-BRWVUGGUSA-N 0 3 292.467 3.312 20 30 CGEDHN N#Cc1cc(-c2ccccc2)oc1N=C1CCCNC1 ZINC001159220852 806060417 /nfs/dbraw/zinc/06/04/17/806060417.db2.gz XMJLTIPRUVXSSH-UHFFFAOYSA-N 0 3 265.316 3.107 20 30 CGEDHN C=C[C@](C)(O)CN1CCC[C@H]1c1ccc(F)cc1F ZINC001252558164 806063396 /nfs/dbraw/zinc/06/33/96/806063396.db2.gz NBBOTXVQQCRISY-GJZGRUSLSA-N 0 3 267.319 3.039 20 30 CGEDHN C=C[C@@](C)(O)CNCc1c(Cl)cccc1C(F)(F)F ZINC001252577146 806073865 /nfs/dbraw/zinc/07/38/65/806073865.db2.gz VFVMVNSXWQBNJG-GFCCVEGCSA-N 0 3 293.716 3.385 20 30 CGEDHN C=C[C@@](C)(O)CN[C@@H](C)c1ccccc1Br ZINC001252576926 806073989 /nfs/dbraw/zinc/07/39/89/806073989.db2.gz QJYCZGLNBTVIBO-GXFFZTMASA-N 0 3 284.197 3.037 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cccc(C)n1 ZINC001253226923 806184215 /nfs/dbraw/zinc/18/42/15/806184215.db2.gz CHGDUWCKXDIOSK-KRWDZBQOSA-N 0 3 276.424 3.367 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC(C)(C)CC)CC1 ZINC001160235513 806239392 /nfs/dbraw/zinc/23/93/92/806239392.db2.gz GMISMHRZGHZEPZ-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)cc(C)c2)CC1 ZINC001161771511 806452061 /nfs/dbraw/zinc/45/20/61/806452061.db2.gz NTUNZEGZAIHUDU-UHFFFAOYSA-N 0 3 298.430 3.241 20 30 CGEDHN COc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1C(F)(F)F ZINC001254642616 806469027 /nfs/dbraw/zinc/46/90/27/806469027.db2.gz IYZSFGGUJFMMCA-ZYHUDNBSSA-N 0 3 298.308 3.496 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc(F)cc(F)c1 ZINC001254644611 806469867 /nfs/dbraw/zinc/46/98/67/806469867.db2.gz UBILZIGUMPDOSP-GPCCPHFNSA-N 0 3 250.292 3.308 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@H](C#N)C1)CCO2 ZINC001254645151 806470380 /nfs/dbraw/zinc/47/03/80/806470380.db2.gz AGWHDRFODMYQDA-KCQAQPDRSA-N 0 3 256.349 3.101 20 30 CGEDHN N#C[C@H]1CC[C@H](N[C@@H](CCO)c2cccc(Cl)c2)C1 ZINC001254649825 806472746 /nfs/dbraw/zinc/47/27/46/806472746.db2.gz RHHHSECZJYHKTK-CQDKDKBSSA-N 0 3 278.783 3.045 20 30 CGEDHN Cc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)nc1 ZINC001254656385 806476532 /nfs/dbraw/zinc/47/65/32/806476532.db2.gz JMBKFCLZTBICAZ-JGGQBBKZSA-N 0 3 255.365 3.123 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](N[C@H]1CC[C@@H](C#N)C1)CCO2 ZINC001254654784 806476819 /nfs/dbraw/zinc/47/68/19/806476819.db2.gz AGWHDRFODMYQDA-IPYPFGDCSA-N 0 3 256.349 3.101 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2CCC=CCC2)CC1 ZINC001161889373 806479950 /nfs/dbraw/zinc/47/99/50/806479950.db2.gz UEZDQVMJIXGULW-UHFFFAOYSA-N 0 3 288.435 3.057 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCCC[C@H]2c2cccnc2)C1 ZINC001254669536 806480117 /nfs/dbraw/zinc/48/01/17/806480117.db2.gz SHEZYPUSPOOTDQ-BPUTZDHNSA-N 0 3 255.365 3.301 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC001254672461 806481816 /nfs/dbraw/zinc/48/18/16/806481816.db2.gz BKXRYDYCXUDJGA-BMFZPTHFSA-N 0 3 255.365 3.219 20 30 CGEDHN COc1ccc(C2=CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254676992 806484576 /nfs/dbraw/zinc/48/45/76/806484576.db2.gz PJRWRSBVWMNTPK-WMLDXEAASA-N 0 3 282.387 3.477 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC001255013040 806524517 /nfs/dbraw/zinc/52/45/17/806524517.db2.gz GQNQCCPXJAVZNR-INIZCTEOSA-N 0 3 298.386 3.473 20 30 CGEDHN CN1CCCC[C@@H]1c1ccc(NC2(C#N)CCC2)nc1 ZINC001162309115 806552261 /nfs/dbraw/zinc/55/22/61/806552261.db2.gz AAQNXFVHNREFGH-CQSZACIVSA-N 0 3 270.380 3.097 20 30 CGEDHN CC[C@H](CC#N)NCC1(Cc2cccc(F)c2)CC1 ZINC001255162698 806561980 /nfs/dbraw/zinc/56/19/80/806561980.db2.gz XHBFTMCSMUQFDR-OAHLLOKOSA-N 0 3 260.356 3.430 20 30 CGEDHN CCCC[C@@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001255332439 806618366 /nfs/dbraw/zinc/61/83/66/806618366.db2.gz PFSRKEJNZARCSU-CQSZACIVSA-N 0 3 289.398 3.398 20 30 CGEDHN SCc1ccc(N[C@H]2CNCc3ccsc32)cc1 ZINC001163230341 806730733 /nfs/dbraw/zinc/73/07/33/806730733.db2.gz OKKYIOUTRYDNGX-ZDUSSCGKSA-N 0 3 276.430 3.434 20 30 CGEDHN Cc1cc(N[C@@H]2CNCc3ccsc32)ccc1CC#N ZINC001163230054 806730874 /nfs/dbraw/zinc/73/08/74/806730874.db2.gz UCXPJGGRGJLBCG-OAHLLOKOSA-N 0 3 283.400 3.379 20 30 CGEDHN C=CC[C@H](CC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000393755832 799489556 /nfs/dbraw/zinc/48/95/56/799489556.db2.gz XBNDZMPIOOQFJB-LBPRGKRZSA-N 0 3 269.772 3.499 20 30 CGEDHN C[C@@H](Cc1ccccc1F)NCc1cc(C#N)co1 ZINC001255839271 806763417 /nfs/dbraw/zinc/76/34/17/806763417.db2.gz TWZPBNDBHIPVEE-NSHDSACASA-N 0 3 258.296 3.011 20 30 CGEDHN CNc1ccc(NC(=N)c2ccc(C(F)(F)F)cc2)cn1 ZINC001163680281 806799678 /nfs/dbraw/zinc/79/96/78/806799678.db2.gz MJUJFIQDUMGKND-UHFFFAOYSA-N 0 3 294.280 3.179 20 30 CGEDHN C=CCC1(O)CCN(CCSc2ccccc2F)CC1 ZINC000717470221 800203919 /nfs/dbraw/zinc/20/39/19/800203919.db2.gz FHKYXJSBUYMWED-UHFFFAOYSA-N 0 3 295.423 3.321 20 30 CGEDHN CSC1CCC(CNCc2nc(C#N)cs2)CC1 ZINC000720613148 800264633 /nfs/dbraw/zinc/26/46/33/800264633.db2.gz UHBJIGZAYMXRGS-UHFFFAOYSA-N 0 3 281.450 3.026 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000721544243 800293441 /nfs/dbraw/zinc/29/34/41/800293441.db2.gz LTPSCBBSWQCLQB-HOTGVXAUSA-N 0 3 255.365 3.108 20 30 CGEDHN CC(C)(COCc1ccccc1)NCc1cncc(C#N)c1 ZINC000721563276 800294528 /nfs/dbraw/zinc/29/45/28/800294528.db2.gz ZUQBGKIDACYHAB-UHFFFAOYSA-N 0 3 295.386 3.038 20 30 CGEDHN C=C1CCC(CNCc2ccsc2C(=O)OC)CC1 ZINC000724469983 800362005 /nfs/dbraw/zinc/36/20/05/800362005.db2.gz JIYHSCKHQNMUAI-UHFFFAOYSA-N 0 3 279.405 3.371 20 30 CGEDHN C[C@@]1(C2CC2)CN(CCCCC2(C#N)CCC2)CCO1 ZINC000930922840 800652137 /nfs/dbraw/zinc/65/21/37/800652137.db2.gz HDQAJBNFRPIYQD-INIZCTEOSA-N 0 3 276.424 3.351 20 30 CGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001024411533 800728773 /nfs/dbraw/zinc/72/87/73/800728773.db2.gz RGXZLMYEOWDUBQ-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)CC)CC1 ZINC001032605703 800931443 /nfs/dbraw/zinc/93/14/43/800931443.db2.gz GPEPQQVJORFNHA-JQFCIGGWSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCC1 ZINC001032603534 800932812 /nfs/dbraw/zinc/93/28/12/800932812.db2.gz BZDZCQVHNBZIOP-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)c1 ZINC001032763663 800936644 /nfs/dbraw/zinc/93/66/44/800936644.db2.gz LJAATNHDBBLJFY-ROUUACIJSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCC)c1ccccc1 ZINC001032797179 800936745 /nfs/dbraw/zinc/93/67/45/800936745.db2.gz MCTPOOIUYMJSND-OKZBNKHCSA-N 0 3 298.430 3.041 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675548 800973833 /nfs/dbraw/zinc/97/38/33/800973833.db2.gz IXQXAVMNPNUSJO-UPTPFMHGSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693294 800975904 /nfs/dbraw/zinc/97/59/04/800975904.db2.gz RXTYTDPTLNLVPS-GOSISDBHSA-N 0 3 298.430 3.286 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033768484 800982431 /nfs/dbraw/zinc/98/24/31/800982431.db2.gz GORFXOLTMWXIKN-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001034127171 801005460 /nfs/dbraw/zinc/00/54/60/801005460.db2.gz IDQSGCYFNXCDLC-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001034132670 801006432 /nfs/dbraw/zinc/00/64/32/801006432.db2.gz JMXILASIZDDPAV-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034300974 801016754 /nfs/dbraw/zinc/01/67/54/801016754.db2.gz DGVMHNZRPHESNF-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC001035637740 801058688 /nfs/dbraw/zinc/05/86/88/801058688.db2.gz DJEUMPOWTVJSFV-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001039057815 801144499 /nfs/dbraw/zinc/14/44/99/801144499.db2.gz YCXXXZDZAOWTEV-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccs1 ZINC001039327869 801158252 /nfs/dbraw/zinc/15/82/52/801158252.db2.gz LQVHEUFHBYFTKA-KGLIPLIRSA-N 0 3 290.432 3.003 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001039380364 801160486 /nfs/dbraw/zinc/16/04/86/801160486.db2.gz UVIKJUCLKKVPID-CVEARBPZSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001039412557 801161515 /nfs/dbraw/zinc/16/15/15/801161515.db2.gz ZCSYEOSOVROAGS-CVEARBPZSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C2CCCCCC2)CC1 ZINC001045383508 801272439 /nfs/dbraw/zinc/27/24/39/801272439.db2.gz MXZFGIOLEKJVML-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001045607344 801281230 /nfs/dbraw/zinc/28/12/30/801281230.db2.gz UGJIIZRUIUQUJD-YJBOKZPZSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@](C)(NC(=O)c2sccc2Cl)C1 ZINC001046335507 801308388 /nfs/dbraw/zinc/30/83/88/801308388.db2.gz AYHJCHNXIWUFFK-AWEZNQCLSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001046337673 801310748 /nfs/dbraw/zinc/31/07/48/801310748.db2.gz ATORBNSXZKSYAH-FUHWJXTLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc(C)c2C)C1 ZINC001046812029 801325934 /nfs/dbraw/zinc/32/59/34/801325934.db2.gz IUYCQVOCIGCTSZ-GOSISDBHSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1=CCCCCC1 ZINC001049446640 801373269 /nfs/dbraw/zinc/37/32/69/801373269.db2.gz YAWDXHSGCOVNBH-DLBZAZTESA-N 0 3 288.435 3.128 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC1(C)C ZINC001049659920 801381671 /nfs/dbraw/zinc/38/16/71/801381671.db2.gz VBHWICKJLRZBKM-ARFHVFGLSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C=C)cc1 ZINC001049743462 801387438 /nfs/dbraw/zinc/38/74/38/801387438.db2.gz PWQBQIQRSUXLAP-QZTJIDSGSA-N 0 3 296.414 3.195 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1C ZINC001049878638 801390482 /nfs/dbraw/zinc/39/04/82/801390482.db2.gz YZQDRXAUINQHND-ROUUACIJSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)ccc1C ZINC001049862556 801390993 /nfs/dbraw/zinc/39/09/93/801390993.db2.gz IOFQQVCTLHCQGU-ZWKOTPCHSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)cc(C)c1 ZINC001049863198 801391603 /nfs/dbraw/zinc/39/16/03/801391603.db2.gz LSUSDIKXXNKXGV-ROUUACIJSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001050148095 801400510 /nfs/dbraw/zinc/40/05/10/801400510.db2.gz YGXKVXLSOAUCAE-ZWKOTPCHSA-N 0 3 296.414 3.052 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071391748 801532629 /nfs/dbraw/zinc/53/26/29/801532629.db2.gz MULBESFBUHARQP-GDBMZVCRSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071761891 801549193 /nfs/dbraw/zinc/54/91/93/801549193.db2.gz FEMXVTWVIADLON-GDBMZVCRSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CC3CCCCCC3)C2)C1 ZINC001073016362 801577786 /nfs/dbraw/zinc/57/77/86/801577786.db2.gz VNNQYUIMEXMYSP-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001079751480 801647943 /nfs/dbraw/zinc/64/79/43/801647943.db2.gz XMKDGGWDXVQBGX-IXDOHACOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001084635392 801669792 /nfs/dbraw/zinc/66/97/92/801669792.db2.gz YJZJGMSQRGCHAZ-JFIYKMOQSA-N 0 3 290.451 3.088 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001084808292 801672821 /nfs/dbraw/zinc/67/28/21/801672821.db2.gz HULZJPQNFVVFAH-SJLPKXTDSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccsc1 ZINC001085127240 801677546 /nfs/dbraw/zinc/67/75/46/801677546.db2.gz SVADXPMCVQQHKP-CHWSQXEVSA-N 0 3 298.839 3.131 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccs1 ZINC001085122857 801678383 /nfs/dbraw/zinc/67/83/83/801678383.db2.gz YMQKITWWWHVGQB-VXGBXAGGSA-N 0 3 298.839 3.131 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085510290 801691463 /nfs/dbraw/zinc/69/14/63/801691463.db2.gz QXBALNUBJLMIGG-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085727863 801700058 /nfs/dbraw/zinc/70/00/58/801700058.db2.gz KEUNZRYXYUZINQ-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001085991022 801715492 /nfs/dbraw/zinc/71/54/92/801715492.db2.gz CWXVPMWKAJVSDE-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@H]1CC ZINC001087843900 801770227 /nfs/dbraw/zinc/77/02/27/801770227.db2.gz WFKTZWPZHWOVOI-OWCLPIDISA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@H]1C ZINC001088885858 801813774 /nfs/dbraw/zinc/81/37/74/801813774.db2.gz RPHKTITUCJPDOM-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC001088996976 801816995 /nfs/dbraw/zinc/81/69/95/801816995.db2.gz SUNQLRSCWNDBPM-DOMZBBRYSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001099038276 801926081 /nfs/dbraw/zinc/92/60/81/801926081.db2.gz DXTFMERGEXSRRO-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C ZINC001099316026 801936506 /nfs/dbraw/zinc/93/65/06/801936506.db2.gz KIBNJXGNCFFZHF-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)CCCC)C1 ZINC001100296587 801946658 /nfs/dbraw/zinc/94/66/58/801946658.db2.gz JCTZJKGAJCVDND-XGNXJENSSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CCCCCC)C1 ZINC001100941065 801968901 /nfs/dbraw/zinc/96/89/01/801968901.db2.gz NVKWWTRHVPNHAT-UHFFFAOYSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102262985 802004064 /nfs/dbraw/zinc/00/40/64/802004064.db2.gz RHRJVZXJADVXJY-IXSDQNLNSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C(C)=C/CC)C[C@H]1C ZINC001103945907 802042599 /nfs/dbraw/zinc/04/25/99/802042599.db2.gz DPTZLLNQECERRU-DUCLZDJCSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C(CC)CC)C2 ZINC001110748394 802147513 /nfs/dbraw/zinc/14/75/13/802147513.db2.gz ATIBXKYFPUPLHD-DZUCGIPZSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)CCC1 ZINC001110987535 802153343 /nfs/dbraw/zinc/15/33/43/802153343.db2.gz SNKQKZJZANAOEX-OAGGEKHMSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001113247697 802208185 /nfs/dbraw/zinc/20/81/85/802208185.db2.gz CBFNXIXOUGSKPP-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN C#CCN(Cc1cc(=O)oc2c(C)c(C)ccc12)CC1CC1 ZINC001116365805 802337835 /nfs/dbraw/zinc/33/78/35/802337835.db2.gz AUOOJVAGAIIRBT-UHFFFAOYSA-N 0 3 295.382 3.255 20 30 CGEDHN C[C@H](CCCC#N)NCC(=O)c1ccc(Cl)cc1 ZINC001172477931 808342295 /nfs/dbraw/zinc/34/22/95/808342295.db2.gz AILKNSFWUKSASW-LLVKDONJSA-N 0 3 264.756 3.195 20 30 CGEDHN C[C@@H](CCCC#N)NCc1cccnc1Br ZINC001172489645 808349961 /nfs/dbraw/zinc/34/99/61/808349961.db2.gz XMONNBNQADGSOE-JTQLQIEISA-N 0 3 282.185 3.016 20 30 CGEDHN CC(C)(Oc1ccccc1)C(=O)C(C#N)c1cccc(F)n1 ZINC001122711704 802882280 /nfs/dbraw/zinc/88/22/80/802882280.db2.gz ASYUFJFNNVPPPN-ZDUSSCGKSA-N 0 3 298.317 3.255 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001123234318 802920236 /nfs/dbraw/zinc/92/02/36/802920236.db2.gz UCMVPCSJUVHUKN-RDBSUJKOSA-N 0 3 285.391 3.318 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001123337746 802930324 /nfs/dbraw/zinc/93/03/24/802930324.db2.gz TXCFPQFVYCHFDF-UONOGXRCSA-N 0 3 271.364 3.216 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC001123337972 802930960 /nfs/dbraw/zinc/93/09/60/802930960.db2.gz WNQOIHRVJJZZGX-HIFRSBDPSA-N 0 3 281.359 3.273 20 30 CGEDHN CCCCCCCN1C[C@@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131742773 803340451 /nfs/dbraw/zinc/34/04/51/803340451.db2.gz HFDMRPLNIADJIZ-STQMWFEESA-N 0 3 290.398 3.191 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCC2CCCC2)CC[C@@H]1C ZINC001131764705 803342971 /nfs/dbraw/zinc/34/29/71/803342971.db2.gz MFXVQSLCHVYEKC-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN N#Cc1ccc(F)c(-c2ccc3c(N)ccnc3c2)c1 ZINC001244557326 803437560 /nfs/dbraw/zinc/43/75/60/803437560.db2.gz WJURTDDTSDNQND-UHFFFAOYSA-N 0 3 263.275 3.495 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001134410512 803536031 /nfs/dbraw/zinc/53/60/31/803536031.db2.gz VHPLMXZAPUQXFK-UHFFFAOYSA-N 0 3 294.826 3.148 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136984779 803668331 /nfs/dbraw/zinc/66/83/31/803668331.db2.gz RALBVGHFUMDESD-UHFFFAOYSA-N 0 3 271.339 3.433 20 30 CGEDHN C=CCc1cccc(CN(C)Cc2cccnc2)c1O ZINC001138624979 803983757 /nfs/dbraw/zinc/98/37/57/803983757.db2.gz WQTNHGDJTYPWSY-UHFFFAOYSA-N 0 3 268.360 3.148 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(CC#N)CC2)c1[O-] ZINC001138628893 803984512 /nfs/dbraw/zinc/98/45/12/803984512.db2.gz ISQYWNVSMPBDFO-UHFFFAOYSA-N 0 3 270.376 3.246 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1[O-] ZINC001138631342 803985079 /nfs/dbraw/zinc/98/50/79/803985079.db2.gz PWZVAPYIOFDKLV-BBRMVZONSA-N 0 3 275.392 3.120 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1[O-] ZINC001138631342 803985084 /nfs/dbraw/zinc/98/50/84/803985084.db2.gz PWZVAPYIOFDKLV-BBRMVZONSA-N 0 3 275.392 3.120 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](OC(C)C)C2)c1[O-] ZINC001138629572 803985701 /nfs/dbraw/zinc/98/57/01/803985701.db2.gz DQGRNRIPCYKBHV-INIZCTEOSA-N 0 3 275.392 3.120 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c1[O-] ZINC001138629572 803985708 /nfs/dbraw/zinc/98/57/08/803985708.db2.gz DQGRNRIPCYKBHV-INIZCTEOSA-N 0 3 275.392 3.120 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(n3cccn3)CC2)c1[O-] ZINC001138630287 803986149 /nfs/dbraw/zinc/98/61/49/803986149.db2.gz VDRCSRJUCNJRMW-UHFFFAOYSA-N 0 3 297.402 3.154 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138952183 804080944 /nfs/dbraw/zinc/08/09/44/804080944.db2.gz MWGGHOCZUBUIIQ-NSHDSACASA-N 0 3 273.767 3.013 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001139646289 804241984 /nfs/dbraw/zinc/24/19/84/804241984.db2.gz NPWADCICENCQTQ-UONOGXRCSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCn1cc(CN2CCC(C(C)(C)C)CC2)cn1 ZINC001139766235 804277030 /nfs/dbraw/zinc/27/70/30/804277030.db2.gz NGQMRZUSOMFNPB-UHFFFAOYSA-N 0 3 261.413 3.327 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H]4CCCO[C@@H]4C3)c2c1 ZINC001140110782 804378775 /nfs/dbraw/zinc/37/87/75/804378775.db2.gz STYJUIKFMAOLDM-KBXCAEBGSA-N 0 3 295.386 3.040 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)cn1 ZINC001140546339 804457797 /nfs/dbraw/zinc/45/77/97/804457797.db2.gz FHMORZFSMZTRQK-GASCZTMLSA-N 0 3 275.355 3.040 20 30 CGEDHN N#Cc1cccc(C2CCN(Cc3ccc(CO)o3)CC2)c1 ZINC001140682135 804488665 /nfs/dbraw/zinc/48/86/65/804488665.db2.gz VSXDOMYZGHPVCP-UHFFFAOYSA-N 0 3 296.370 3.023 20 30 CGEDHN N#CC1CCC(N2CCC[C@H]2c2nccs2)CC1 ZINC001256969273 807021244 /nfs/dbraw/zinc/02/12/44/807021244.db2.gz DDAJFWRLZJDGGJ-BPCQOVAHSA-N 0 3 261.394 3.362 20 30 CGEDHN CCC(CC)N(C)Cc1sc(N)c(C#N)c1Cl ZINC001141114269 804592622 /nfs/dbraw/zinc/59/26/22/804592622.db2.gz KCLCNHBDFXTWJT-UHFFFAOYSA-N 0 3 271.817 3.476 20 30 CGEDHN CCCCCN1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC001141165277 804601679 /nfs/dbraw/zinc/60/16/79/804601679.db2.gz XTUWBAMMUQCANP-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN N#Cc1ccc2c(CN3CC(c4cccnc4)C3)c[nH]c2c1 ZINC001142922379 804784824 /nfs/dbraw/zinc/78/48/24/804784824.db2.gz GBPKZKKVPAUAKA-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN C=CCN(Cc1scc2c1OCCO2)C(C)(C)C ZINC001143193869 804819734 /nfs/dbraw/zinc/81/97/34/804819734.db2.gz WJTYFMJCYZZQSY-UHFFFAOYSA-N 0 3 267.394 3.306 20 30 CGEDHN CCCCN1CCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143726154 804889195 /nfs/dbraw/zinc/88/91/95/804889195.db2.gz ILGSXCCVHUNJFX-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN CCOC1CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249428972 805146618 /nfs/dbraw/zinc/14/66/18/805146618.db2.gz IRGGRHHZOMQMMT-UHFFFAOYSA-N 0 3 283.375 3.040 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](CC)CCCC)C2)C1 ZINC001147939133 805156801 /nfs/dbraw/zinc/15/68/01/805156801.db2.gz NKANTBZJUBEGKC-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](CC)CCCC)C2)C1 ZINC001147939132 805156838 /nfs/dbraw/zinc/15/68/38/805156838.db2.gz NKANTBZJUBEGKC-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC001154224245 805442300 /nfs/dbraw/zinc/44/23/00/805442300.db2.gz VFRLORNYBPVQFG-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN CCOc1cc(C)ccc1CN1CCC(S)CC1 ZINC001250179131 805466775 /nfs/dbraw/zinc/46/67/75/805466775.db2.gz AJAMDVFZGVMHQN-UHFFFAOYSA-N 0 3 265.422 3.288 20 30 CGEDHN N#CC1CCC(N[C@@H](c2ccccc2)c2cccnn2)CC1 ZINC001256963819 807017634 /nfs/dbraw/zinc/01/76/34/807017634.db2.gz PXNBRZQQOIVFKW-PVARCSIZSA-N 0 3 292.386 3.238 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001167025880 807131488 /nfs/dbraw/zinc/13/14/88/807131488.db2.gz PRGHVKODVTWYGM-HNNXBMFYSA-N 0 3 298.858 3.217 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001167110149 807152274 /nfs/dbraw/zinc/15/22/74/807152274.db2.gz CNIGYSXREWPJQS-ZIAGYGMSSA-N 0 3 298.858 3.051 20 30 CGEDHN C=C1C[C@@H]2CC(N3CCc4c(cc[nH]c4=O)C3)C[C@H](C1)C2 ZINC001257895730 807245164 /nfs/dbraw/zinc/24/51/64/807245164.db2.gz ZQALGAPMCOIFJE-MZBDJJRSSA-N 0 3 284.403 3.280 20 30 CGEDHN CCCCCCC[C@@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258043160 807273763 /nfs/dbraw/zinc/27/37/63/807273763.db2.gz KEEHPNWWYNYGRW-MJBXVCDLSA-N 0 3 272.433 3.245 20 30 CGEDHN CCCCCCCCC[C@H](C)N[C@](N)(CC)CO ZINC001258230998 807379136 /nfs/dbraw/zinc/37/91/36/807379136.db2.gz FQBLVGYJHQAXEZ-LSDHHAIUSA-N 0 3 258.450 3.163 20 30 CGEDHN C=CCOC(=O)N1CCN(C2CCCCCCC2)CC1 ZINC001258242945 807385618 /nfs/dbraw/zinc/38/56/18/807385618.db2.gz BQOSVLJTYLQPEL-UHFFFAOYSA-N 0 3 280.412 3.040 20 30 CGEDHN CN1CCCC[C@H]1c1ccc(NCCCCC#N)nc1 ZINC001168429209 807412473 /nfs/dbraw/zinc/41/24/73/807412473.db2.gz NECUFNIJTRKEFJ-HNNXBMFYSA-N 0 3 272.396 3.344 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](c1ccc(F)cc1F)C1CC1 ZINC001168542843 807442198 /nfs/dbraw/zinc/44/21/98/807442198.db2.gz RHNUUCYSNORPGM-BBRMVZONSA-N 0 3 281.346 3.333 20 30 CGEDHN C=CC(=NCOC)NCCc1ccc2ccccc2c1 ZINC001168726633 807496745 /nfs/dbraw/zinc/49/67/45/807496745.db2.gz DCHHREXNOLBFAQ-UHFFFAOYSA-N 0 3 268.360 3.160 20 30 CGEDHN C=CCC[C@@H](C)NCc1c(F)c(F)ccc1OC ZINC001258719653 807569094 /nfs/dbraw/zinc/56/90/94/807569094.db2.gz HSQPCARUYZBYTO-SNVBAGLBSA-N 0 3 255.308 3.418 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001258732282 807578110 /nfs/dbraw/zinc/57/81/10/807578110.db2.gz KWVAXRMDOIENJM-CQSZACIVSA-N 0 3 294.439 3.426 20 30 CGEDHN C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)C1CC1 ZINC001261414304 807741242 /nfs/dbraw/zinc/74/12/42/807741242.db2.gz QGSKUWZXGCBZMF-GOSISDBHSA-N 0 3 298.430 3.078 20 30 CGEDHN CN(Cc1cc(C(C)(C)C)n[nH]1)CC1CCC(C#N)CC1 ZINC001262276531 807844936 /nfs/dbraw/zinc/84/49/36/807844936.db2.gz HVCPZFKUSUFBSE-UHFFFAOYSA-N 0 3 288.439 3.469 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC)cc1C ZINC001263076066 807930273 /nfs/dbraw/zinc/93/02/73/807930273.db2.gz LDYUXNPIKAHAEL-CQSZACIVSA-N 0 3 276.380 3.016 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC001263152858 807936595 /nfs/dbraw/zinc/93/65/95/807936595.db2.gz WBQGAHPTKUQLAF-YPMHNXCESA-N 0 3 288.382 3.000 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001263616274 807977681 /nfs/dbraw/zinc/97/76/81/807977681.db2.gz RSFJYRVOEQPABN-YNEHKIRRSA-N 0 3 299.761 3.053 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171105357 807985622 /nfs/dbraw/zinc/98/56/22/807985622.db2.gz SPDGSYIXZLTGNP-LSDHHAIUSA-N 0 3 262.784 3.479 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC(C)(C)OC(C)(C)C1 ZINC001171228915 808014596 /nfs/dbraw/zinc/01/45/96/808014596.db2.gz JTYQSGMHTGYKLY-AWEZNQCLSA-N 0 3 286.419 3.379 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2CCCCCF)C1 ZINC001264370871 808061486 /nfs/dbraw/zinc/06/14/86/808061486.db2.gz LNIDYFNDRKYYLJ-HNNXBMFYSA-N 0 3 296.430 3.015 20 30 CGEDHN Cc1nc2ccc(NCCOc3ccc(C#N)cc3)cc2[nH]1 ZINC001171485468 808074090 /nfs/dbraw/zinc/07/40/90/808074090.db2.gz PCLWCXGXVNVVSU-UHFFFAOYSA-N 0 3 292.342 3.234 20 30 CGEDHN C#CC1CCN([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171542998 808090583 /nfs/dbraw/zinc/09/05/83/808090583.db2.gz CJWHDFPAVSUQCQ-ZDUSSCGKSA-N 0 3 293.332 3.306 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001265312450 808130385 /nfs/dbraw/zinc/13/03/85/808130385.db2.gz NSNCBWODUAFNOX-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN CCN(CCC#N)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171928552 808155116 /nfs/dbraw/zinc/15/51/16/808155116.db2.gz LEADHNNIXYYMGM-UHFFFAOYSA-N 0 3 280.412 3.122 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cn(C2CCC2)cn1 ZINC001172299681 808219764 /nfs/dbraw/zinc/21/97/64/808219764.db2.gz MVXSANBOZQLXEY-CQSZACIVSA-N 0 3 294.402 3.201 20 30 CGEDHN CC[C@H](C)OCC[C@@H](C)NCC1(C#N)CCCC1 ZINC001172317852 808227236 /nfs/dbraw/zinc/22/72/36/808227236.db2.gz VNDORLKSPDBBIE-KGLIPLIRSA-N 0 3 252.402 3.254 20 30 CGEDHN CCCCCCCN1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001266327890 808243413 /nfs/dbraw/zinc/24/34/13/808243413.db2.gz NUXXCEZBOKNUEP-HNNXBMFYSA-N 0 3 298.446 3.430 20 30 CGEDHN C=CCN(CC)CCNC(=O)C[C@H](C)c1ccccc1C ZINC001266420975 808260833 /nfs/dbraw/zinc/26/08/33/808260833.db2.gz OZJIAMQJHPPFJO-INIZCTEOSA-N 0 3 288.435 3.113 20 30 CGEDHN C=CCN(CCNC(=O)C1(C)CCCCCC1)C1CC1 ZINC001266594615 808293551 /nfs/dbraw/zinc/29/35/51/808293551.db2.gz PDENNHLCLPEYBC-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1cccc(C2CC2)c1)C1CC1 ZINC001266621545 808298664 /nfs/dbraw/zinc/29/86/64/808298664.db2.gz FDTPOJNESJJRFE-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCCC[C@H]2CNC[C@H](F)CC)C1 ZINC001266877056 808328355 /nfs/dbraw/zinc/32/83/55/808328355.db2.gz BIGRRDVODPKOQM-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN CCCCCCC[C@@H](CCC)N[C@@H]1C=CS(=O)(=O)C1 ZINC001172502479 808359442 /nfs/dbraw/zinc/35/94/42/808359442.db2.gz QCCWTPLDRAYXKV-HUUCEWRRSA-N 0 3 287.469 3.416 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(c2cccc(F)c2)CC1 ZINC001172509148 808366827 /nfs/dbraw/zinc/36/68/27/808366827.db2.gz KDPAFCBMZPQTTG-AWEZNQCLSA-N 0 3 275.371 3.030 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCC ZINC001267417868 808424677 /nfs/dbraw/zinc/42/46/77/808424677.db2.gz PHSXSODWYPARGQ-GASCZTMLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001267603348 808457248 /nfs/dbraw/zinc/45/72/48/808457248.db2.gz PROIQQPLMJHDRK-UXBLZVDNSA-N 0 3 298.858 3.266 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C ZINC001267701082 808472838 /nfs/dbraw/zinc/47/28/38/808472838.db2.gz WDSICISUXZCOIA-IKGGRYGDSA-N 0 3 298.430 3.248 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001267753790 808484994 /nfs/dbraw/zinc/48/49/94/808484994.db2.gz MWYMQWWVMBRHGN-VXGBXAGGSA-N 0 3 296.411 3.046 20 30 CGEDHN C=CCCCC(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001267790861 808493488 /nfs/dbraw/zinc/49/34/88/808493488.db2.gz NDPOUMGOBGNIER-MRXNPFEDSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001267789690 808494036 /nfs/dbraw/zinc/49/40/36/808494036.db2.gz JZFWJISJMQDCEF-DOTOQJQBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(CC=C)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173064404 808503177 /nfs/dbraw/zinc/50/31/77/808503177.db2.gz GCNIKAPRGHKXDB-CABCVRRESA-N 0 3 294.439 3.448 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001268112304 808543295 /nfs/dbraw/zinc/54/32/95/808543295.db2.gz MSOADWBSPOFKMR-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)CCC1CCC1)C(C)C ZINC001268205617 808556829 /nfs/dbraw/zinc/55/68/29/808556829.db2.gz QKOLYAFEPUSCPR-CQSZACIVSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C[C@H](C(=O)N[C@H]1CCCN(CC(=C)C)C1)c1ccccc1 ZINC001268236687 808566139 /nfs/dbraw/zinc/56/61/39/808566139.db2.gz MUKUJVDUUCHBKN-ROUUACIJSA-N 0 3 298.430 3.113 20 30 CGEDHN COc1ccc(Nc2ccc3nc(C)[nH]c3c2)c(C#N)c1 ZINC001213074395 815223142 /nfs/dbraw/zinc/22/31/42/815223142.db2.gz SDIWGOGHLVMKQE-UHFFFAOYSA-N 0 3 278.315 3.495 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 ZINC001268922336 808636535 /nfs/dbraw/zinc/63/65/35/808636535.db2.gz NEXKUZIDJLVGMG-QEJZJMRPSA-N 0 3 290.432 3.002 20 30 CGEDHN C=C/C(C)=C\CC(=O)N1CC[C@@H](CCNCC(=C)Cl)C1 ZINC001272523350 808816543 /nfs/dbraw/zinc/81/65/43/808816543.db2.gz FHQIBIANBDCKIP-KSKAUBAUSA-N 0 3 296.842 3.090 20 30 CGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2cccc(C)c2)C1=O ZINC001272906726 808826999 /nfs/dbraw/zinc/82/69/99/808826999.db2.gz FAMLROJIBLMDPH-LJQANCHMSA-N 0 3 298.430 3.138 20 30 CGEDHN C#CCCCCC(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001275099848 808908027 /nfs/dbraw/zinc/90/80/27/808908027.db2.gz AFVXXQFEJPDZNW-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)CCCc1ccc(C)s1 ZINC001276021618 808984900 /nfs/dbraw/zinc/98/49/00/808984900.db2.gz VYIASEYARBHPHK-ZDUSSCGKSA-N 0 3 294.464 3.002 20 30 CGEDHN C#Cc1cccnc1N=C1CCCN(Cc2ccccc2)C1 ZINC001174393005 808993130 /nfs/dbraw/zinc/99/31/30/808993130.db2.gz OYOKCHCEZMILAH-UHFFFAOYSA-N 0 3 289.382 3.265 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC001276195248 808993559 /nfs/dbraw/zinc/99/35/59/808993559.db2.gz IAIMLTPUBYFGFD-JSGCOSHPSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)(C)C2CC2)C(C)(C)C1 ZINC001276578676 809019369 /nfs/dbraw/zinc/01/93/69/809019369.db2.gz HWVMNCKVXQJPRG-HNNXBMFYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H](C)C1CCCCC1 ZINC001276940024 809047170 /nfs/dbraw/zinc/04/71/70/809047170.db2.gz JEOZXNVHZFEFHU-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN CCCCCCCCCCCN1CC[C@@H]2C[C@@]21C(N)=O ZINC001278182215 809118445 /nfs/dbraw/zinc/11/84/45/809118445.db2.gz RCKDVAOIZPBDQQ-WBVHZDCISA-N 0 3 280.456 3.467 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)C(C)C ZINC001278908857 809155110 /nfs/dbraw/zinc/15/51/10/809155110.db2.gz YWWXGFHMNBXURI-HZPDHXFCSA-N 0 3 298.446 3.260 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1C[C@H]1C1CCCC1)C(C)C ZINC001278926625 809156678 /nfs/dbraw/zinc/15/66/78/809156678.db2.gz SLSXRJPWJVIVHI-IRXDYDNUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1cccc(Cl)c1)C(C)C ZINC001278926247 809156962 /nfs/dbraw/zinc/15/69/62/809156962.db2.gz FDTGSVIIRVWBMV-UHFFFAOYSA-N 0 3 294.826 3.308 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC001279583393 809175696 /nfs/dbraw/zinc/17/56/96/809175696.db2.gz YDRWLWMONCFRMB-FUHWJXTLSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC001279583394 809176450 /nfs/dbraw/zinc/17/64/50/809176450.db2.gz YDRWLWMONCFRMB-SJLPKXTDSA-N 0 3 290.451 3.137 20 30 CGEDHN CN1CCC=C(Nc2ccc(N3CCCCC3)c(C#N)c2)C1 ZINC001175581154 809462002 /nfs/dbraw/zinc/46/20/02/809462002.db2.gz ZJRKPIKIUXNNHX-UHFFFAOYSA-N 0 3 296.418 3.180 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001182604060 810117168 /nfs/dbraw/zinc/11/71/68/810117168.db2.gz CXEVDORLZBSDPA-AWEZNQCLSA-N 0 3 272.348 3.057 20 30 CGEDHN COc1ccc(SCCN2CCC[C@@H](CC#N)C2)cc1 ZINC001182856131 810127481 /nfs/dbraw/zinc/12/74/81/810127481.db2.gz SVIWLFLJRFPPBZ-AWEZNQCLSA-N 0 3 290.432 3.413 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192977092 810837763 /nfs/dbraw/zinc/83/77/63/810837763.db2.gz HNYJYAXCLHLCSN-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN CCCCCCCOC(=O)N1CCC2SC(=O)C=C2C1 ZINC001193995084 810997211 /nfs/dbraw/zinc/99/72/11/810997211.db2.gz HAPFNUCQRDEZSH-CYBMUJFWSA-N 0 3 297.420 3.368 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H](C)CC(C)(C)C)n1 ZINC001194010722 810999726 /nfs/dbraw/zinc/99/97/26/810999726.db2.gz YRJAPDCVIWUXPD-OAHLLOKOSA-N 0 3 275.440 3.411 20 30 CGEDHN C=CC[C@@H](C)N1CCN(c2ccccc2F)C[C@@H]1C ZINC001194020993 811003710 /nfs/dbraw/zinc/00/37/10/811003710.db2.gz UJVZBWJFJMEHSN-KGLIPLIRSA-N 0 3 262.372 3.301 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194360141 811058320 /nfs/dbraw/zinc/05/83/20/811058320.db2.gz WZLUSXHOSVQGAJ-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCN1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195780911 811291799 /nfs/dbraw/zinc/29/17/99/811291799.db2.gz NNIWLSSIDNGICN-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CCOCCN1CCc2ccc(C(C)C)cc2C1 ZINC001195920346 811302830 /nfs/dbraw/zinc/30/28/30/811302830.db2.gz YDBWJWWAYBLJTP-UHFFFAOYSA-N 0 3 259.393 3.371 20 30 CGEDHN C#CC[C@H]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001197701553 811446752 /nfs/dbraw/zinc/44/67/52/811446752.db2.gz KQEKQXZSSDAMBQ-NHYWBVRUSA-N 0 3 298.213 3.372 20 30 CGEDHN C=CCC[C@H]1CCCN1CCCS(=O)(=O)C(C)(C)C ZINC001198414295 811498473 /nfs/dbraw/zinc/49/84/73/811498473.db2.gz LGDOYYXJWGZYDJ-AWEZNQCLSA-N 0 3 287.469 3.020 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(CCCF)CC2)CCCC1 ZINC001198417977 811501263 /nfs/dbraw/zinc/50/12/63/811501263.db2.gz SCDKVTOVHAWBLU-UHFFFAOYSA-N 0 3 296.430 3.017 20 30 CGEDHN C=CCNC(=S)Nc1ccccc1CN1CCCCC1 ZINC001200294089 811672021 /nfs/dbraw/zinc/67/20/21/811672021.db2.gz YPAUJQIXQJKMGF-UHFFFAOYSA-N 0 3 289.448 3.145 20 30 CGEDHN CCCCCCCN1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201762403 811963190 /nfs/dbraw/zinc/96/31/90/811963190.db2.gz JMIMEKSOFILNIN-MRXNPFEDSA-N 0 3 293.455 3.326 20 30 CGEDHN CCCCCCCCCN1CCCC[C@H]1C(N)=O ZINC001201847548 811970717 /nfs/dbraw/zinc/97/07/17/811970717.db2.gz XGNOYGVWOCYGSF-AWEZNQCLSA-N 0 3 254.418 3.077 20 30 CGEDHN CCc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001204176821 812566874 /nfs/dbraw/zinc/56/68/74/812566874.db2.gz VTRGGAGPBPLJBP-HNNXBMFYSA-N 0 3 273.401 3.023 20 30 CGEDHN CCc1ccc(CN2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001204176821 812566878 /nfs/dbraw/zinc/56/68/78/812566878.db2.gz VTRGGAGPBPLJBP-HNNXBMFYSA-N 0 3 273.401 3.023 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@@H]1Cc1ccccn1 ZINC001204370373 812622417 /nfs/dbraw/zinc/62/24/17/812622417.db2.gz ZMMYOJOOKPBJIX-GOSISDBHSA-N 0 3 277.371 3.160 20 30 CGEDHN CCCCO[C@@H]1C[C@H](N[C@@H](CC)CC#N)C1(C)C ZINC001205238904 812915355 /nfs/dbraw/zinc/91/53/55/812915355.db2.gz YVRNCEDLFCHTAX-MELADBBJSA-N 0 3 252.402 3.252 20 30 CGEDHN COc1cccc(CCN2CCc3ccc(C#N)cc3C2)c1 ZINC001207430327 813563773 /nfs/dbraw/zinc/56/37/73/813563773.db2.gz XQNSEOLSWHFXLQ-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@H](OCC(=O)OC)C1 ZINC001208123196 813698569 /nfs/dbraw/zinc/69/85/69/813698569.db2.gz GKTQFVSJSZWISP-SCOAYWHSSA-N 0 3 297.439 3.167 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCOC[C@H]2C2CC2)CC1 ZINC001208178578 813729682 /nfs/dbraw/zinc/72/96/82/813729682.db2.gz RUZADXRDNSQVIQ-WBVHZDCISA-N 0 3 261.409 3.400 20 30 CGEDHN C#CCN(CC#C)CC[C@H](C)CCCC(C)(C)OC ZINC001208214976 813748615 /nfs/dbraw/zinc/74/86/15/813748615.db2.gz WCTLMNVVLGNPRM-MRXNPFEDSA-N 0 3 263.425 3.176 20 30 CGEDHN CN1CC=C(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC001208855435 813866213 /nfs/dbraw/zinc/86/62/13/813866213.db2.gz AJEJLRAHAYBULK-UHFFFAOYSA-N 0 3 281.281 3.208 20 30 CGEDHN C[C@@H]1CCN(CCCc2ccc(C#N)cc2)C[C@H]1F ZINC001208857211 813870039 /nfs/dbraw/zinc/87/00/39/813870039.db2.gz XTWLAYSYQOMVTI-CZUORRHYSA-N 0 3 260.356 3.171 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001209107440 813934019 /nfs/dbraw/zinc/93/40/19/813934019.db2.gz SGMACCFOUMGUKE-ZMSDIMECSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001209158979 813951701 /nfs/dbraw/zinc/95/17/01/813951701.db2.gz XVPJOSHYMJRSIT-OKILXGFUSA-N 0 3 280.412 3.036 20 30 CGEDHN C=CCCCN1CCc2nn(-c3ccccc3)cc2C1 ZINC001209162611 813953584 /nfs/dbraw/zinc/95/35/84/813953584.db2.gz JVXVROKMBSFZFL-UHFFFAOYSA-N 0 3 267.376 3.197 20 30 CGEDHN C=CCCCCN1CCN(c2nccc3occc32)CC1 ZINC001209204734 813966916 /nfs/dbraw/zinc/96/69/16/813966916.db2.gz INXPYPKCSOTKPQ-UHFFFAOYSA-N 0 3 285.391 3.306 20 30 CGEDHN C=CCCCCCN1CCc2cnc(OC)cc2C1 ZINC001209432135 814033884 /nfs/dbraw/zinc/03/38/84/814033884.db2.gz ZLKBIZXENQUWJW-UHFFFAOYSA-N 0 3 260.381 3.195 20 30 CGEDHN C=CCCCCCCCCN1CCN2C(=O)CC[C@@H]2C1 ZINC001209445202 814046284 /nfs/dbraw/zinc/04/62/84/814046284.db2.gz HCAKXAAPVATCTC-MRXNPFEDSA-N 0 3 278.440 3.210 20 30 CGEDHN Cc1ccc(C2=CC(=O)C[C@H](C)C2)c(CN(C)C)c1 ZINC001242742072 823118524 /nfs/dbraw/zinc/11/85/24/823118524.db2.gz IHGPDKSZVQXEPN-CYBMUJFWSA-N 0 3 257.377 3.439 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2cc(C)nc(C)c2)no1 ZINC001211436457 814891778 /nfs/dbraw/zinc/89/17/78/814891778.db2.gz LWOBHTNPIKMSKR-UHFFFAOYSA-N 0 3 298.390 3.248 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2ncccc2CC)no1 ZINC001211436444 814891989 /nfs/dbraw/zinc/89/19/89/814891989.db2.gz LPGWLURBJBLZIG-UHFFFAOYSA-N 0 3 298.390 3.193 20 30 CGEDHN N#Cc1ccc2ccc(O[C@H]3CNCCC3(F)F)cc2c1 ZINC001218449256 816218944 /nfs/dbraw/zinc/21/89/44/816218944.db2.gz SNEPUNICFOMLGK-HNNXBMFYSA-N 0 3 288.297 3.087 20 30 CGEDHN N#Cc1ccc(O[C@H]2CNCc3ccccc32)c(F)c1F ZINC001218488521 816243661 /nfs/dbraw/zinc/24/36/61/816243661.db2.gz YJFIFTKPWIQOAH-AWEZNQCLSA-N 0 3 286.281 3.060 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC001219673693 816274848 /nfs/dbraw/zinc/27/48/48/816274848.db2.gz MODPGGSWGJOPGZ-XHSDSOJGSA-N 0 3 280.456 3.393 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221754296 816324703 /nfs/dbraw/zinc/32/47/03/816324703.db2.gz HUGGQUBTGAEDQA-BRWVUGGUSA-N 0 3 290.451 3.088 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)CC(C)(C)C)C[C@@H]21 ZINC001223629575 816660753 /nfs/dbraw/zinc/66/07/53/816660753.db2.gz YEYRAAIAAYMCCO-XHSDSOJGSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCCCCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224428584 816799568 /nfs/dbraw/zinc/79/95/68/816799568.db2.gz VECHEFVLJMOTSZ-CALCHBBNSA-N 0 3 281.440 3.393 20 30 CGEDHN N#CC1(c2ccccc2-c2ccc(F)c([O-])c2)CC[NH2+]CC1 ZINC001243046777 823223922 /nfs/dbraw/zinc/22/39/22/823223922.db2.gz LCYFSEAEPFJBAU-UHFFFAOYSA-N 0 3 296.345 3.343 20 30 CGEDHN C=CCCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224508399 816816214 /nfs/dbraw/zinc/81/62/14/816816214.db2.gz VPQPBPQQLYVTSF-USXIJHARSA-N 0 3 279.424 3.334 20 30 CGEDHN C#CCN1CCC(CNC(=O)C[C@H](C)CCCCC)CC1 ZINC001224772503 816877976 /nfs/dbraw/zinc/87/79/76/816877976.db2.gz XITPXEVAOVLLLE-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228111807 817815355 /nfs/dbraw/zinc/81/53/55/817815355.db2.gz FQIFMXXVRMUVIO-BPLDGKMQSA-N 0 3 298.858 3.358 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001231405056 818091977 /nfs/dbraw/zinc/09/19/77/818091977.db2.gz HEYVRSFIXANQNF-CQSZACIVSA-N 0 3 292.467 3.168 20 30 CGEDHN CC(=O)Nc1ccc(CN2CCC(C)(C#N)CC2)c(C)c1 ZINC001232187930 818272722 /nfs/dbraw/zinc/27/27/22/818272722.db2.gz XDSGDFCQVCSLKI-UHFFFAOYSA-N 0 3 285.391 3.079 20 30 CGEDHN N#Cc1ccnc(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001232480916 818364596 /nfs/dbraw/zinc/36/45/96/818364596.db2.gz NSBHHWCKZAIRPU-KRWDZBQOSA-N 0 3 277.371 3.018 20 30 CGEDHN COc1ncc(CN2CCC[C@H](C#N)CC2)c2ccccc21 ZINC001232951305 818480608 /nfs/dbraw/zinc/48/06/08/818480608.db2.gz FBTJQPGDJCDNTA-AWEZNQCLSA-N 0 3 295.386 3.369 20 30 CGEDHN CC#CC[C@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234245213 818815054 /nfs/dbraw/zinc/81/50/54/818815054.db2.gz WLILBRKRTIWDAV-AWEZNQCLSA-N 0 3 293.382 3.467 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234525357 818873222 /nfs/dbraw/zinc/87/32/22/818873222.db2.gz BGPHUZOXXJPMSL-WMZOPIPTSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234529522 818875876 /nfs/dbraw/zinc/87/58/76/818875876.db2.gz ZPUHTLHYJAFKKQ-SJLPKXTDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001234613856 818892052 /nfs/dbraw/zinc/89/20/52/818892052.db2.gz LYDRFEDNXCDLED-HNNXBMFYSA-N 0 3 284.419 3.015 20 30 CGEDHN C#CC[C@H](CC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234661234 818909145 /nfs/dbraw/zinc/90/91/45/818909145.db2.gz SHSACPPBUURTAV-KRWDZBQOSA-N 0 3 286.419 3.009 20 30 CGEDHN C=CCCC(=O)NCCCN(C)[C@H](C)c1ccccc1F ZINC001235464136 819105402 /nfs/dbraw/zinc/10/54/02/819105402.db2.gz HQQQSRYNWYUSLT-CQSZACIVSA-N 0 3 292.398 3.291 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2CC#N)CCC1(F)F ZINC001235512047 819113382 /nfs/dbraw/zinc/11/33/82/819113382.db2.gz OTCQAFATCRMNQB-LBPRGKRZSA-N 0 3 264.319 3.230 20 30 CGEDHN Cc1cc(Cl)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001235533083 819117449 /nfs/dbraw/zinc/11/74/49/819117449.db2.gz RAUIUXYEHJFARR-AWEZNQCLSA-N 0 3 293.819 3.423 20 30 CGEDHN C#CC1CCN(Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001236911472 819637215 /nfs/dbraw/zinc/63/72/15/819637215.db2.gz KUKQYAWITAJHIH-UHFFFAOYSA-N 0 3 299.805 3.371 20 30 CGEDHN CCCO[C@H]1CCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237470385 819758991 /nfs/dbraw/zinc/75/89/91/819758991.db2.gz IRSDKTNRPFHAFT-INIZCTEOSA-N 0 3 297.402 3.051 20 30 CGEDHN C=CCN(CC=C)Cc1n[nH]c2cc(Cl)ccc21 ZINC001238001600 819907127 /nfs/dbraw/zinc/90/71/27/819907127.db2.gz WVORCYZYZWYDFO-UHFFFAOYSA-N 0 3 261.756 3.390 20 30 CGEDHN CCCCCCCOC(=O)Nc1cnc2c(c1)CNCC2 ZINC001239310754 820260299 /nfs/dbraw/zinc/26/02/99/820260299.db2.gz AGGZARXFRIJBSQ-UHFFFAOYSA-N 0 3 291.395 3.246 20 30 CGEDHN CCCCCCCCCOC(=O)N[C@@H]1CCNC[C@@H]1F ZINC001239315838 820262746 /nfs/dbraw/zinc/26/27/46/820262746.db2.gz ZVSUOEGYOWNWLU-UONOGXRCSA-N 0 3 288.407 3.163 20 30 CGEDHN N#Cc1cc(-c2ccc(F)c(CN3CCCC3)c2)ccn1 ZINC001241200336 821634785 /nfs/dbraw/zinc/63/47/85/821634785.db2.gz WGDXJXRRWJNVCS-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN N#Cc1ccc(-c2cccc(CN3CCCC3)c2F)cn1 ZINC001241435392 821828469 /nfs/dbraw/zinc/82/84/69/821828469.db2.gz YKYUBKVZDIAYDW-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C#Cc1cccc(-c2ccc(OC)c(CN(C)C)c2)c1 ZINC001241922529 822221580 /nfs/dbraw/zinc/22/15/80/822221580.db2.gz XRKYVKROFOPGTB-UHFFFAOYSA-N 0 3 265.356 3.405 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001339951388 936392331 /nfs/dbraw/zinc/39/23/31/936392331.db2.gz KSQOKFOYKNBIAS-UAGQMJEPSA-N 0 3 286.419 3.075 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC)c1ccccc1F ZINC001340554690 936407572 /nfs/dbraw/zinc/40/75/72/936407572.db2.gz GEMGSLXCOZVYNY-CABCVRRESA-N 0 3 278.371 3.077 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H](C)c1ccccn1 ZINC001340789377 936414348 /nfs/dbraw/zinc/41/43/48/936414348.db2.gz FWCGSBJIXYKJDC-GJZGRUSLSA-N 0 3 291.439 3.337 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC001341485526 936439480 /nfs/dbraw/zinc/43/94/80/936439480.db2.gz ZMMCGGMMUXJDBB-PVAVHDDUSA-N 0 3 286.419 3.075 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc2ccc(C)nc21 ZINC001341644491 936445740 /nfs/dbraw/zinc/44/57/40/936445740.db2.gz GZBUVFUSYZLDRA-AWEZNQCLSA-N 0 3 283.375 3.165 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1c(C)[nH]nc1-c1ccccc1 ZINC001341749222 936449981 /nfs/dbraw/zinc/44/99/81/936449981.db2.gz SXICKNUCZKWOIC-AWEZNQCLSA-N 0 3 298.390 3.007 20 30 CGEDHN C=CCC[C@H]1CCCN1C(=O)C[C@H]1NCc2ccccc21 ZINC001341778235 936450253 /nfs/dbraw/zinc/45/02/53/936450253.db2.gz BCOLKYVKJDNOSW-DOTOQJQBSA-N 0 3 284.403 3.178 20 30 CGEDHN Cc1ccc(F)cc1CNCc1cccc(OCC#N)c1 ZINC001341944168 936455582 /nfs/dbraw/zinc/45/55/82/936455582.db2.gz FVDHIRCNKNSVJI-UHFFFAOYSA-N 0 3 284.334 3.326 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC001342283823 936463859 /nfs/dbraw/zinc/46/38/59/936463859.db2.gz GNHYUXTVQCPWTQ-JSGCOSHPSA-N 0 3 292.448 3.341 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@]1(C)c1ccccc1 ZINC001342454103 936467710 /nfs/dbraw/zinc/46/77/10/936467710.db2.gz OKGYARUDFTWUKK-SJLPKXTDSA-N 0 3 286.419 3.208 20 30 CGEDHN N#CC(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccn1 ZINC001343494207 936503565 /nfs/dbraw/zinc/50/35/65/936503565.db2.gz FLRMJVCNHOWVKC-FQUUOJAGSA-N 0 3 254.333 3.084 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC001344321798 936529674 /nfs/dbraw/zinc/52/96/74/936529674.db2.gz BLMFDMNWENPRSQ-OAHLLOKOSA-N 0 3 299.349 3.241 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC001344438075 936534291 /nfs/dbraw/zinc/53/42/91/936534291.db2.gz DNPCBNLIWGQDHB-NVXWUHKLSA-N 0 3 270.376 3.116 20 30 CGEDHN CN(C)Cc1cccc(C(=O)O[C@@H](CC#N)c2ccco2)c1 ZINC001345982316 936832703 /nfs/dbraw/zinc/83/27/03/936832703.db2.gz QIWJBKBSFNLIBP-INIZCTEOSA-N 0 3 298.342 3.153 20 30 CGEDHN C=C(CC)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC001348697579 936931146 /nfs/dbraw/zinc/93/11/46/936931146.db2.gz XNGWYARTANDHND-OAHLLOKOSA-N 0 3 292.448 3.094 20 30 CGEDHN COC[C@H](NCC1CCC(C#N)CC1)c1ccc(C)o1 ZINC001354595390 937106832 /nfs/dbraw/zinc/10/68/32/937106832.db2.gz SUEJAKLZOYQTLK-NRXISQOPSA-N 0 3 276.380 3.195 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)c1ccc(OC(C)C)cc1 ZINC001353856874 926935853 /nfs/dbraw/zinc/93/58/53/926935853.db2.gz ACEBCFNOIYEIKM-MRXNPFEDSA-N 0 3 290.407 3.120 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](CC)CCCC ZINC001481674307 927053809 /nfs/dbraw/zinc/05/38/09/927053809.db2.gz LIAFXSALJYXDCK-ULQDDVLXSA-N 0 3 292.467 3.454 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001481747730 927077962 /nfs/dbraw/zinc/07/79/62/927077962.db2.gz RPKJPCWWWUUEKT-HZPDHXFCSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001481773592 927090104 /nfs/dbraw/zinc/09/01/04/927090104.db2.gz YDGSNQXANXYUBZ-INIZCTEOSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)CC2CCCC2)CCCC1 ZINC001481887789 927104765 /nfs/dbraw/zinc/10/47/65/927104765.db2.gz UUXKOKWJXVSVHO-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001501615093 927233114 /nfs/dbraw/zinc/23/31/14/927233114.db2.gz LGXICKHFDOHPFZ-RRFJBIMHSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCCCC(=O)N(C)CCN(C)[C@@H](C)c1ccccc1 ZINC001496770274 927360583 /nfs/dbraw/zinc/36/05/83/927360583.db2.gz FFQDZDUEBVZGNV-INIZCTEOSA-N 0 3 288.435 3.494 20 30 CGEDHN C=CCCC(=O)N[C@H](C)CNCc1ccc(C)cc1Cl ZINC001483115228 927415600 /nfs/dbraw/zinc/41/56/00/927415600.db2.gz ZHECYTGDVCHNIR-CYBMUJFWSA-N 0 3 294.826 3.209 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCCCC(C)C)C1 ZINC001484065924 927669554 /nfs/dbraw/zinc/66/95/54/927669554.db2.gz QDMFIVNERHXGBI-QGZVFWFLSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)cs2)C1 ZINC001484159306 927683397 /nfs/dbraw/zinc/68/33/97/927683397.db2.gz RWESKVFPCCIDGN-MRXNPFEDSA-N 0 3 292.448 3.074 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)CC/C=C\c1ccccc1 ZINC001485352488 927853577 /nfs/dbraw/zinc/85/35/77/927853577.db2.gz ZWYZQPJQEBSAGU-IYCSXQJISA-N 0 3 286.419 3.103 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC2CCCCC2)C1 ZINC001485674364 927899752 /nfs/dbraw/zinc/89/97/52/927899752.db2.gz GCZVQRKJXNILHC-SHTZXODSSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc3scnc3c2)C1 ZINC001474389246 937204844 /nfs/dbraw/zinc/20/48/44/937204844.db2.gz KRZMFNZULKMRKB-ZDUSSCGKSA-N 0 3 274.389 3.073 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001171666993 928220220 /nfs/dbraw/zinc/22/02/20/928220220.db2.gz AVINSIZZRLOYDV-HDJSIYSDSA-N 0 3 286.847 3.051 20 30 CGEDHN CCCC#CC(=O)NCCP(C(C)C)C(C)C ZINC001184274533 928249057 /nfs/dbraw/zinc/24/90/57/928249057.db2.gz SXJNNIDKNNUXNO-UHFFFAOYSA-N 0 3 255.342 3.205 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(C)CCC(C)CC1 ZINC001488698236 928291519 /nfs/dbraw/zinc/29/15/19/928291519.db2.gz ILTBDSLWIQTKJU-PQUAAJSLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)NCCF)CC1 ZINC001490306703 928344742 /nfs/dbraw/zinc/34/47/42/928344742.db2.gz OZGIGDZCJPWTLB-GOEBONIOSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CC=C(C)C)C1 ZINC001490438435 928360623 /nfs/dbraw/zinc/36/06/23/928360623.db2.gz MPRZALLRDQWBQC-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC001434542231 937249071 /nfs/dbraw/zinc/24/90/71/937249071.db2.gz LXDPPLLZYLXDHB-SWLSCSKDSA-N 0 3 281.359 3.112 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(OCCCC)cc1 ZINC001321242754 928501730 /nfs/dbraw/zinc/50/17/30/928501730.db2.gz ZDNKXIJJOMYTJH-OAHLLOKOSA-N 0 3 263.381 3.156 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](O)c1ccccc1 ZINC000903086065 928768823 /nfs/dbraw/zinc/76/88/23/928768823.db2.gz BSCNKRWOOJERQK-QANKJYHBSA-N 0 3 295.386 3.116 20 30 CGEDHN C=CCC[C@H](NC/C=C/C(=O)OCC)c1ccccc1 ZINC001459855391 937502982 /nfs/dbraw/zinc/50/29/82/937502982.db2.gz ZXUAOFCAVURBCE-WQMJKPAKSA-N 0 3 273.376 3.403 20 30 CGEDHN C[C@H](COCc1ccccc1)CN(C)[C@H]1CCC[C@H]1C#N ZINC001460603159 937536078 /nfs/dbraw/zinc/53/60/78/937536078.db2.gz AXOJKSZFDGNRCL-SZMVWBNQSA-N 0 3 286.419 3.463 20 30 CGEDHN CC(C)(C)N1CCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140601505 931958773 /nfs/dbraw/zinc/95/87/73/931958773.db2.gz RFPYMSLSQBBIPN-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN CC(C)P(CCNC(=O)C#Cc1ccccc1)C(C)C ZINC001142864136 931970200 /nfs/dbraw/zinc/97/02/00/931970200.db2.gz UYMQGXKEYUIPKQ-UHFFFAOYSA-N 0 3 289.359 3.453 20 30 CGEDHN C=CCOc1ccccc1O[C@@H]1CCCN(CC)C1 ZINC001229612071 932177766 /nfs/dbraw/zinc/17/77/66/932177766.db2.gz SEKBJUOTVIMROC-CQSZACIVSA-N 0 3 261.365 3.115 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)NCc1cccc(F)c1 ZINC001491556315 932582351 /nfs/dbraw/zinc/58/23/51/932582351.db2.gz DKIMYGKNIHFCHC-UONOGXRCSA-N 0 3 292.398 3.022 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCc1cccc(F)c1 ZINC001491556313 932590467 /nfs/dbraw/zinc/59/04/67/932590467.db2.gz DKIMYGKNIHFCHC-KBPBESRZSA-N 0 3 292.398 3.022 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001230658846 932605907 /nfs/dbraw/zinc/60/59/07/932605907.db2.gz IGARNBDKEYSJNP-QGZVFWFLSA-N 0 3 286.419 3.108 20 30 CGEDHN CCC1(CC)CCN(Cc2cccc(C#N)n2)CC1 ZINC001462103521 937618299 /nfs/dbraw/zinc/61/82/99/937618299.db2.gz JVVDOASGDOYVQR-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(CCC)CCC1 ZINC001316599096 932743152 /nfs/dbraw/zinc/74/31/52/932743152.db2.gz AMFUEZNPXGCHIG-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001492080738 932804946 /nfs/dbraw/zinc/80/49/46/932804946.db2.gz AHZBVAOIKOKIQO-CHWSQXEVSA-N 0 3 286.847 3.050 20 30 CGEDHN C#C[C@H](CO)NCc1ccccc1-c1ccc(C)cc1C ZINC001462471119 937643793 /nfs/dbraw/zinc/64/37/93/937643793.db2.gz XCQFDEXPHAIZDL-QGZVFWFLSA-N 0 3 279.383 3.054 20 30 CGEDHN C[C@H](COc1ccc(F)cc1)NCc1csc(C#N)c1 ZINC001308256971 933083470 /nfs/dbraw/zinc/08/34/70/933083470.db2.gz NLKNGTXOKNERDC-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN C=CC(C)(C)NCc1cc2ccccc2nc1OC ZINC001308972649 933217154 /nfs/dbraw/zinc/21/71/54/933217154.db2.gz QBHKFESXFUDYDR-UHFFFAOYSA-N 0 3 256.349 3.298 20 30 CGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=C)Cl ZINC001316874579 933489346 /nfs/dbraw/zinc/48/93/46/933489346.db2.gz SYSUUEBGGVIREY-KGLIPLIRSA-N 0 3 284.831 3.064 20 30 CGEDHN C=CCN(CC)CCNC(=O)C/C=C\c1ccc(C)cc1 ZINC001317491010 933602628 /nfs/dbraw/zinc/60/26/28/933602628.db2.gz DAFYRWWIMZFGJM-SREVYHEPSA-N 0 3 286.419 3.022 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C(C)(CC)CC)c1ccccc1 ZINC001317727421 933638082 /nfs/dbraw/zinc/63/80/82/933638082.db2.gz RMLPLSJUKANMIX-INIZCTEOSA-N 0 3 288.435 3.446 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H]1C=CCCC1)C(C)C ZINC001319922253 933958801 /nfs/dbraw/zinc/95/88/01/933958801.db2.gz LXJXQYLMWYSMGP-HUUCEWRRSA-N 0 3 298.858 3.216 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001323262451 934376775 /nfs/dbraw/zinc/37/67/75/934376775.db2.gz NRLHUGSGINOCRD-JBCIKUTRSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(C)C ZINC001323696155 934418090 /nfs/dbraw/zinc/41/80/90/934418090.db2.gz MZNDFELHZDMOTJ-SJORKVTESA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cc3cc(F)ccc3o2)C1 ZINC001323786157 934425867 /nfs/dbraw/zinc/42/58/67/934425867.db2.gz RUPGFMAYTTYYAN-AWEZNQCLSA-N 0 3 275.323 3.349 20 30 CGEDHN CO[C@]1(C)C[C@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001473482067 937808629 /nfs/dbraw/zinc/80/86/29/937808629.db2.gz CLNLVVWCNIQCMC-DOTOQJQBSA-N 0 3 291.822 3.485 20 30 CGEDHN N#CCOc1ccc(CNCc2cccn2C2CC2)cc1 ZINC001326431644 934979799 /nfs/dbraw/zinc/97/97/99/934979799.db2.gz ZHLNGMLFZCDAHX-UHFFFAOYSA-N 0 3 281.359 3.015 20 30 CGEDHN COCC#CCNC(C)(C)c1ccc2ccccc2c1 ZINC001473688064 937817378 /nfs/dbraw/zinc/81/73/78/937817378.db2.gz PQBGGEIMXIBHRM-UHFFFAOYSA-N 0 3 267.372 3.314 20 30 CGEDHN C#CCCCCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001473725728 937819225 /nfs/dbraw/zinc/81/92/25/937819225.db2.gz LIDDNMOHYXAWIQ-UHFFFAOYSA-N 0 3 295.430 3.264 20 30 CGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2C1 ZINC001327695268 935078660 /nfs/dbraw/zinc/07/86/60/935078660.db2.gz GFDGZCNSIMZYEZ-KSSFIOAISA-N 0 3 298.430 3.241 20 30 CGEDHN CC(C)(NCc1ccncc1C#N)C1CCCCC1 ZINC001328175282 935122317 /nfs/dbraw/zinc/12/23/17/935122317.db2.gz VJHVHFJUGFGXFA-UHFFFAOYSA-N 0 3 257.381 3.402 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCC=CCCC1 ZINC001328362433 935132526 /nfs/dbraw/zinc/13/25/26/935132526.db2.gz FTYDEGNCMSUCKV-GJZGRUSLSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@](C)(C=C)CC ZINC001328694480 935160014 /nfs/dbraw/zinc/16/00/14/935160014.db2.gz RTXIYDCHHSEOBY-LMMKCTJWSA-N 0 3 298.430 3.147 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC(C)C)C[C@H]2C1 ZINC001330447237 935288495 /nfs/dbraw/zinc/28/84/95/935288495.db2.gz SADSNXNEQASNOQ-SOUVJXGZSA-N 0 3 298.858 3.002 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCC(F)F)C1 ZINC001331993443 935432014 /nfs/dbraw/zinc/43/20/14/935432014.db2.gz KAYOIMITZKOMQP-CQSZACIVSA-N 0 3 297.345 3.107 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C(C)C)[C@H]1C ZINC001332186501 935447232 /nfs/dbraw/zinc/44/72/32/935447232.db2.gz UFNZWHLWDOPIJN-CABCVRRESA-N 0 3 280.456 3.214 20 30 CGEDHN CC(C)[C@@H]1CN(CCCCC2(C#N)CCC2)CCO1 ZINC001333914372 936076021 /nfs/dbraw/zinc/07/60/21/936076021.db2.gz WGFMUYUBVVRKLG-HNNXBMFYSA-N 0 3 264.413 3.207 20 30 CGEDHN C=CCCCN(CC)[C@H](CC(C)C)C(=O)OCC ZINC001473861786 937825682 /nfs/dbraw/zinc/82/56/82/937825682.db2.gz LDEPVXRBZGWVCO-CQSZACIVSA-N 0 3 255.402 3.252 20 30 CGEDHN C=CC[C@H]1CCN1CCc1cccc2c1OC(F)(F)O2 ZINC001473865335 937825919 /nfs/dbraw/zinc/82/59/19/937825919.db2.gz PMKPGMSGOBXAHK-LBPRGKRZSA-N 0 3 281.302 3.201 20 30 CGEDHN C=CC(C)(C)CNCc1nnn(-c2ccccc2)c1C1CC1 ZINC001474527996 937864862 /nfs/dbraw/zinc/86/48/62/937864862.db2.gz HCUNUFTXKMGVJE-UHFFFAOYSA-N 0 3 296.418 3.447 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C[C@H](C)CC(C)C)CC1 ZINC001479894500 937928514 /nfs/dbraw/zinc/92/85/14/937928514.db2.gz UMRWBFFFPLCDGV-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)cc(C)c1 ZINC001480804472 937944621 /nfs/dbraw/zinc/94/46/21/937944621.db2.gz AUONOQWENBZRNU-CQSZACIVSA-N 0 3 294.826 3.154 20 30 CGEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCN1CC=C)c1ccccc1 ZINC001493159048 937948071 /nfs/dbraw/zinc/94/80/71/937948071.db2.gz AKFNAMMPZLYXIO-ZWKOTPCHSA-N 0 3 298.430 3.113 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1CCC[C@H]1CCC ZINC001493300747 937949257 /nfs/dbraw/zinc/94/92/57/937949257.db2.gz RXPHMHMKSGTSFT-IAGOWNOFSA-N 0 3 292.467 3.054 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CC2 ZINC001494675070 937955567 /nfs/dbraw/zinc/95/55/67/937955567.db2.gz WZCPUBQQXSFPQX-JYJNAYRXSA-N 0 3 290.451 3.042 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CCC)C(C)C ZINC001494674320 937955746 /nfs/dbraw/zinc/95/57/46/937955746.db2.gz FSGNQNLTZHTTGL-ULQDDVLXSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001496392696 937962328 /nfs/dbraw/zinc/96/23/28/937962328.db2.gz XLTQIDRENFTPTG-OAHLLOKOSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]1CCC ZINC001496734469 937963900 /nfs/dbraw/zinc/96/39/00/937963900.db2.gz SRPLPEXJFXEXLG-HOTGVXAUSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001498238077 937968649 /nfs/dbraw/zinc/96/86/49/937968649.db2.gz DRWZFBKUADTQAZ-CYBMUJFWSA-N 0 3 294.826 3.243 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001498955163 937971637 /nfs/dbraw/zinc/97/16/37/937971637.db2.gz LHMSBHFCCXVANL-NCOADZHNSA-N 0 3 292.467 3.193 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001499073175 937972477 /nfs/dbraw/zinc/97/24/77/937972477.db2.gz VJQTVGKUWQSHTG-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCCN(C[C@H](F)CC)CC1 ZINC001502135017 937981153 /nfs/dbraw/zinc/98/11/53/937981153.db2.gz FPBXCWPXODXNFM-HUUCEWRRSA-N 0 3 284.419 3.062 20 30 CGEDHN C=CCCC(=O)N1CCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001502541392 937982580 /nfs/dbraw/zinc/98/25/80/937982580.db2.gz NUXPYNRCDZREDW-DOTOQJQBSA-N 0 3 296.430 3.015 20 30 CGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001506567052 937990992 /nfs/dbraw/zinc/99/09/92/937990992.db2.gz XKIOUMLKMPTZRR-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C1CCC(=C)CC1)C(C)C ZINC001507832032 937997268 /nfs/dbraw/zinc/99/72/68/937997268.db2.gz ZFEFORKFPAMPGY-UHFFFAOYSA-N 0 3 292.467 3.478 20 30 CGEDHN CC[C@H](c1ccccc1)N1CCN([C@@H](C)CCC#N)CC1 ZINC001559567909 938229825 /nfs/dbraw/zinc/22/98/25/938229825.db2.gz MTFHOZVAZWINEM-FUHWJXTLSA-N 0 3 285.435 3.448 20 30 CGEDHN Cc1ncsc1CCCN1CCC[C@H](CC#N)C1 ZINC001559991607 938241142 /nfs/dbraw/zinc/24/11/42/938241142.db2.gz ASCNXTOXOOMWDG-CYBMUJFWSA-N 0 3 263.410 3.010 20 30 CGEDHN CC(C)(NCc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC001559992380 938241422 /nfs/dbraw/zinc/24/14/22/938241422.db2.gz YQAHVFDIDVBUQJ-UHFFFAOYSA-N 0 3 275.355 3.455 20 30 CGEDHN CCc1ccc2c(c1)CCN(C[C@@H](O)CC1(C#N)CCC1)C2 ZINC001560238397 938248637 /nfs/dbraw/zinc/24/86/37/938248637.db2.gz NKHBPEXJTOMAJA-SFHVURJKSA-N 0 3 298.430 3.052 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CCC)CCCCC1 ZINC001565835452 960592288 /nfs/dbraw/zinc/59/22/88/960592288.db2.gz NJUHDFNPSAAFOS-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H](CC)NCC=C(Cl)Cl ZINC001567961456 960610583 /nfs/dbraw/zinc/61/05/83/960610583.db2.gz HKZKPJBOGBHIOT-NSHDSACASA-N 0 3 293.238 3.146 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001565822563 960820208 /nfs/dbraw/zinc/82/02/08/960820208.db2.gz IMDPDWQNRNMKPG-HVHJFMEUSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001565759325 960824683 /nfs/dbraw/zinc/82/46/83/960824683.db2.gz XUIMVTZTMUYRRL-UHFFFAOYSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)C(C)(C)C ZINC001565819411 960832074 /nfs/dbraw/zinc/83/20/74/960832074.db2.gz FXNPUJRRRFRQSD-GJZGRUSLSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCc1csc(C)c1 ZINC001567555800 961363793 /nfs/dbraw/zinc/36/37/93/961363793.db2.gz DMNITXYZNFXFJG-MRXNPFEDSA-N 0 3 294.464 3.207 20 30 CGEDHN C=C/C(C)=C\CC(=O)NC1(CNCC(=C)Cl)CCCC1 ZINC001568004003 961483630 /nfs/dbraw/zinc/48/36/30/961483630.db2.gz KOVZDCTVBZYEEP-QPEQYQDCSA-N 0 3 296.842 3.280 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001569643332 961813134 /nfs/dbraw/zinc/81/31/34/961813134.db2.gz WQGBEDUHKCWKMU-YOEHRIQHSA-N 0 3 280.456 3.215 20 30 CGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001569651603 961813251 /nfs/dbraw/zinc/81/32/51/961813251.db2.gz SWKSPVMVHXYMOI-CRAIPNDOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN[C@H](CNC(=O)C=C(C)C)c1ccccc1CC ZINC001569801179 961838987 /nfs/dbraw/zinc/83/89/87/961838987.db2.gz ZVZUDHYHGYHAOA-QGZVFWFLSA-N 0 3 286.419 3.148 20 30 CGEDHN C=C(C)CCC(=O)NCc1ccc([C@H](C)NCC#CC)cc1 ZINC001570031763 961888439 /nfs/dbraw/zinc/88/84/39/961888439.db2.gz UQYJGMCEHBFLEM-INIZCTEOSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC001570547122 961995507 /nfs/dbraw/zinc/99/55/07/961995507.db2.gz AQGTWBPNBMUAAY-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCC(=O)NC[C@H](C)N(C)Cc1cccc(CC)c1 ZINC001570700475 962041338 /nfs/dbraw/zinc/04/13/38/962041338.db2.gz QFNJRZSVVOAFAE-HNNXBMFYSA-N 0 3 288.435 3.152 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C)c(C)c1Cl ZINC001570748403 962076194 /nfs/dbraw/zinc/07/61/94/962076194.db2.gz YVLKMFDLWDGQFG-GFCCVEGCSA-N 0 3 294.826 3.193 20 30 CGEDHN C=CCN(C)CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001571617052 962197190 /nfs/dbraw/zinc/19/71/90/962197190.db2.gz SSWMMCLFUAHBSZ-HZPDHXFCSA-N 0 3 294.483 3.414 20 30 CGEDHN C=CCCC(C)(C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001573327930 962237870 /nfs/dbraw/zinc/23/78/70/962237870.db2.gz OEEXTTQHIYLSKQ-UHFFFAOYSA-N 0 3 299.422 3.257 20 30 CGEDHN C=CCCC(C)(C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001573327930 962237880 /nfs/dbraw/zinc/23/78/80/962237880.db2.gz OEEXTTQHIYLSKQ-UHFFFAOYSA-N 0 3 299.422 3.257 20 30 CGEDHN C=CC1(CC(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)CCCCC1 ZINC001574880949 962324708 /nfs/dbraw/zinc/32/47/08/962324708.db2.gz VIAHPQJLBFBIDP-KFWWJZLASA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCC1(CNC(=O)c2ccc3c(c2)CNC3)CCCC1 ZINC001574897784 962327530 /nfs/dbraw/zinc/32/75/30/962327530.db2.gz WRMARXULVOVEDC-UHFFFAOYSA-N 0 3 284.403 3.156 20 30 CGEDHN C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588488687 963280117 /nfs/dbraw/zinc/28/01/17/963280117.db2.gz MSJSQENZSSJMCW-LBPRGKRZSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588488687 963280124 /nfs/dbraw/zinc/28/01/24/963280124.db2.gz MSJSQENZSSJMCW-LBPRGKRZSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588539440 963282354 /nfs/dbraw/zinc/28/23/54/963282354.db2.gz KZXGRPXAKVYDPD-GFCCVEGCSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588539440 963282361 /nfs/dbraw/zinc/28/23/61/963282361.db2.gz KZXGRPXAKVYDPD-GFCCVEGCSA-N 0 3 285.395 3.120 20 30 CGEDHN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCOC1 ZINC000589748114 346810543 /nfs/dbraw/zinc/81/05/43/346810543.db2.gz QDUNTRGUQQJADM-INIZCTEOSA-N 0 3 272.392 3.099 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337424908 214074967 /nfs/dbraw/zinc/07/49/67/214074967.db2.gz RZUZHYNTHJNMCP-UONOGXRCSA-N 0 3 298.308 3.337 20 30 CGEDHN CN(C)CCOc1cccc(-c2ccccc2C#N)c1 ZINC000589962482 346819699 /nfs/dbraw/zinc/81/96/99/346819699.db2.gz GFLUMOTYRCMSLK-UHFFFAOYSA-N 0 3 266.344 3.166 20 30 CGEDHN COc1ccc(CN2CCC(C3CC3)CC2)cc1C#N ZINC000590006736 346821937 /nfs/dbraw/zinc/82/19/37/346821937.db2.gz UKGBPCUOFVZJJX-UHFFFAOYSA-N 0 3 270.376 3.189 20 30 CGEDHN COc1cc(F)cc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000590653756 346859099 /nfs/dbraw/zinc/85/90/99/346859099.db2.gz MXNRPUKQEYUNQI-GOSISDBHSA-N 0 3 296.345 3.483 20 30 CGEDHN Cc1cnccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000590653787 346859444 /nfs/dbraw/zinc/85/94/44/346859444.db2.gz UQMYJOLXXGMZSY-KRWDZBQOSA-N 0 3 263.344 3.039 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nn(C)c3ccccc23)C1 ZINC000651762424 398284268 /nfs/dbraw/zinc/28/42/68/398284268.db2.gz UIFXKDIPYQGCLV-ZIAGYGMSSA-N 0 3 269.392 3.408 20 30 CGEDHN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591348832 346917000 /nfs/dbraw/zinc/91/70/00/346917000.db2.gz HLZVNBXTHNWQJC-APPDUMDISA-N 0 3 280.375 3.318 20 30 CGEDHN CCc1cnccc1[C@@H](C)NCc1ccc(C#N)cc1 ZINC000358501544 529677763 /nfs/dbraw/zinc/67/77/63/529677763.db2.gz AHOOGACHOLGLJH-CYBMUJFWSA-N 0 3 265.360 3.366 20 30 CGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1)c1cccs1 ZINC000020147653 282247522 /nfs/dbraw/zinc/24/75/22/282247522.db2.gz AUULNQKMZCAMGM-OAHLLOKOSA-N 0 3 285.416 3.012 20 30 CGEDHN C=CCC(C)(C)CNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623532282 349827736 /nfs/dbraw/zinc/82/77/36/349827736.db2.gz LJBCIRKMGMGOCG-UHFFFAOYSA-N 0 3 288.370 3.098 20 30 CGEDHN CCCC[C@@H]1CCC[C@@H]1NCc1ccncc1C#N ZINC000592103898 346963315 /nfs/dbraw/zinc/96/33/15/346963315.db2.gz NMUFIJKAMQFRDA-CJNGLKHVSA-N 0 3 257.381 3.402 20 30 CGEDHN N#Cc1ccc(NC(=O)CN2CCCC[C@@H]2C2CCC2)cc1 ZINC000592198273 346971507 /nfs/dbraw/zinc/97/15/07/346971507.db2.gz NTYJLWVQJPESEV-QGZVFWFLSA-N 0 3 297.402 3.151 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@H]2CSc3ccccc3O2)C1 ZINC000592391433 346981725 /nfs/dbraw/zinc/98/17/25/346981725.db2.gz LCRQHAUVYSWZBI-MCIONIFRSA-N 0 3 288.416 3.212 20 30 CGEDHN CC1(C#N)CCC(N[C@H](CCO)c2ccccc2F)CC1 ZINC000592404350 346985208 /nfs/dbraw/zinc/98/52/08/346985208.db2.gz XTSOYQAPZMGILJ-BLDCVEFLSA-N 0 3 290.382 3.311 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCC(C3(O)CC3)CC2)cc1 ZINC000593049857 347032660 /nfs/dbraw/zinc/03/26/60/347032660.db2.gz MFCMDQUIYGZHRX-UHFFFAOYSA-N 0 3 298.430 3.225 20 30 CGEDHN CCC(CC)CN(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000051824322 345092999 /nfs/dbraw/zinc/09/29/99/345092999.db2.gz NWWUIFXIWHYTQG-UHFFFAOYSA-N 0 3 293.455 3.087 20 30 CGEDHN N#Cc1cccc(CNCc2cccc3cnccc32)c1 ZINC000061125363 345227505 /nfs/dbraw/zinc/22/75/05/345227505.db2.gz SSKXXGWOLADFFH-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000065959651 345282079 /nfs/dbraw/zinc/28/20/79/345282079.db2.gz ZUZJICZAUIBJCO-UHFFFAOYSA-N 0 3 294.398 3.016 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623959152 349928426 /nfs/dbraw/zinc/92/84/26/349928426.db2.gz IMCXXFZOHIGAPY-GXSJLCMTSA-N 0 3 291.288 3.432 20 30 CGEDHN N#Cc1cccc(CN[C@@H](CCCO)c2ccccc2)c1 ZINC000077466430 345573747 /nfs/dbraw/zinc/57/37/47/345573747.db2.gz MTAGIFSDQXUHIW-SFHVURJKSA-N 0 3 280.371 3.162 20 30 CGEDHN CC(C(=O)Nc1ncn(Cc2ccccc2)n1)C(F)(F)F ZINC000079716508 345652241 /nfs/dbraw/zinc/65/22/41/345652241.db2.gz XNYYRCGNKVIBFJ-SECBINFHSA-N 0 3 298.268 3.113 20 30 CGEDHN C=CCCC[C@H](C)N1CCCN(CC(F)(F)F)CC1 ZINC000091508459 345817081 /nfs/dbraw/zinc/81/70/81/345817081.db2.gz ARVUDZMQCDIAAX-ZDUSSCGKSA-N 0 3 278.362 3.301 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623996528 349940114 /nfs/dbraw/zinc/94/01/14/349940114.db2.gz JNYCQCKCYZGYLT-HOCLYGCPSA-N 0 3 299.418 3.065 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000121127370 346000893 /nfs/dbraw/zinc/00/08/93/346000893.db2.gz HPJJFNXFOZOEDO-ZDUSSCGKSA-N 0 3 294.826 3.415 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000177543206 232369798 /nfs/dbraw/zinc/36/97/98/232369798.db2.gz XVJHEUVBDGPQES-OKILXGFUSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000155423742 346153323 /nfs/dbraw/zinc/15/33/23/346153323.db2.gz MKJMFNKAWRLCQY-ASSNKEHSSA-N 0 3 298.411 3.146 20 30 CGEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cn[nH]c1 ZINC000274140368 346413493 /nfs/dbraw/zinc/41/34/93/346413493.db2.gz XDRMRTAOYKJHPW-GFCCVEGCSA-N 0 3 268.364 3.062 20 30 CGEDHN C=CCCOCCNCc1cc(O)cc(C(F)(F)F)c1 ZINC000289667319 346423861 /nfs/dbraw/zinc/42/38/61/346423861.db2.gz ZHNWPJPLFHZHJZ-UHFFFAOYSA-N 0 3 289.297 3.093 20 30 CGEDHN C=CCOCCN[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000312674052 346477852 /nfs/dbraw/zinc/47/78/52/346477852.db2.gz YCOCIKBHSCGQOY-OAHLLOKOSA-N 0 3 278.352 3.228 20 30 CGEDHN C=CCOCCCNC1(c2nc(C)cs2)CCCC1 ZINC000348023260 346509833 /nfs/dbraw/zinc/50/98/33/346509833.db2.gz AHXXINCQXWBZNI-UHFFFAOYSA-N 0 3 280.437 3.403 20 30 CGEDHN N#CC1(CNC2CCC(C(F)F)CC2)CCCC1 ZINC000593655029 347101034 /nfs/dbraw/zinc/10/10/34/347101034.db2.gz VRMKJXQOUUOJKL-UHFFFAOYSA-N 0 3 256.340 3.484 20 30 CGEDHN C=C(Cl)CNC1CCN(c2ccc(OC)cc2)CC1 ZINC000364844319 346547314 /nfs/dbraw/zinc/54/73/14/346547314.db2.gz QCHPCYGBXXUJFP-UHFFFAOYSA-N 0 3 280.799 3.006 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@H]2CCOc3ccccc32)C1 ZINC000397656159 346583988 /nfs/dbraw/zinc/58/39/88/346583988.db2.gz FZVSAWNTAGXXBT-HUUCEWRRSA-N 0 3 270.376 3.178 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@]1(C)CCCO1 ZINC000585726538 346727842 /nfs/dbraw/zinc/72/78/42/346727842.db2.gz QGTRJKSUQWWXHF-NHYWBVRUSA-N 0 3 278.783 3.259 20 30 CGEDHN CC(C)(CCC#N)CNCc1cccc(F)c1F ZINC000588930394 346776669 /nfs/dbraw/zinc/77/66/69/346776669.db2.gz RFHQWARALDSTPT-UHFFFAOYSA-N 0 3 252.308 3.384 20 30 CGEDHN Cc1occc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000586789294 346735980 /nfs/dbraw/zinc/73/59/80/346735980.db2.gz YOQHLLGLVDOHJJ-UHFFFAOYSA-N 0 3 295.386 3.218 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC000593784967 347115883 /nfs/dbraw/zinc/11/58/83/347115883.db2.gz WZGUZSPGGBKYJF-WBMJQRKESA-N 0 3 290.794 3.423 20 30 CGEDHN CCC(C)(C)N1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000594021273 347138198 /nfs/dbraw/zinc/13/81/98/347138198.db2.gz REAUSZLXNWFTPB-UHFFFAOYSA-N 0 3 289.398 3.004 20 30 CGEDHN CCC(C)(C)N1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000594019846 347138518 /nfs/dbraw/zinc/13/85/18/347138518.db2.gz ANJRWTUQNDQAJX-UHFFFAOYSA-N 0 3 289.398 3.004 20 30 CGEDHN N#Cc1ccc(C2(NC[C@@H]3CCCCO3)CCC2)cc1 ZINC000594033203 347140767 /nfs/dbraw/zinc/14/07/67/347140767.db2.gz XWVABUARTSEKLV-INIZCTEOSA-N 0 3 270.376 3.096 20 30 CGEDHN CN(Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC[C@H](C#N)C1 ZINC000594035707 347141730 /nfs/dbraw/zinc/14/17/30/347141730.db2.gz SZSRAULEPLZBAI-CMPLNLGQSA-N 0 3 294.301 3.132 20 30 CGEDHN CC(C)OC(=O)C[C@@H](NCc1cccc(C#N)c1)C(C)C ZINC000594039933 347142664 /nfs/dbraw/zinc/14/26/64/347142664.db2.gz CBYYJIXSIXWLAK-MRXNPFEDSA-N 0 3 288.391 3.014 20 30 CGEDHN COc1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cc1C#N ZINC000119212851 370655657 /nfs/dbraw/zinc/65/56/57/370655657.db2.gz ASYAXSLWTUUHIT-OAHLLOKOSA-N 0 3 288.391 3.003 20 30 CGEDHN C=CCCCCCN(C)C(=O)C[C@H](N)c1ccccc1 ZINC000119210414 370655674 /nfs/dbraw/zinc/65/56/74/370655674.db2.gz BZEAWPJIJPLYNF-INIZCTEOSA-N 0 3 274.408 3.281 20 30 CGEDHN C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CC2(CCCCC2)O1 ZINC000594057790 347146808 /nfs/dbraw/zinc/14/68/08/347146808.db2.gz MWUNCEHFLLZYHV-ILXRZTDVSA-N 0 3 262.397 3.102 20 30 CGEDHN N#CCCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000594226169 347166160 /nfs/dbraw/zinc/16/61/60/347166160.db2.gz HNMFZNIICYMZPA-QGZVFWFLSA-N 0 3 299.418 3.024 20 30 CGEDHN N#Cc1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594600443 347199991 /nfs/dbraw/zinc/19/99/91/347199991.db2.gz LFSXTGIYKUIPSA-HZPDHXFCSA-N 0 3 273.355 3.126 20 30 CGEDHN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594427323 347173787 /nfs/dbraw/zinc/17/37/87/347173787.db2.gz IITRYDADYMFRRT-RBSFLKMASA-N 0 3 293.455 3.119 20 30 CGEDHN COCC1(NCc2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000594506453 347181438 /nfs/dbraw/zinc/18/14/38/347181438.db2.gz RVYDPFYIPAOLLL-UHFFFAOYSA-N 0 3 272.392 3.146 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCCNc2ccccn2)cc1 ZINC000594512337 347184063 /nfs/dbraw/zinc/18/40/63/347184063.db2.gz KYQBFIULRGZFLM-UHFFFAOYSA-N 0 3 294.402 3.084 20 30 CGEDHN CO[C@H](CNCc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594927900 347231586 /nfs/dbraw/zinc/23/15/86/347231586.db2.gz BJCZOXDCLKBELB-MRXNPFEDSA-N 0 3 272.392 3.002 20 30 CGEDHN N#CCCCNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000594941974 347235938 /nfs/dbraw/zinc/23/59/38/347235938.db2.gz DWKQCURSLLNNGS-UHFFFAOYSA-N 0 3 285.322 3.406 20 30 CGEDHN COc1cc(C)ccc1CNCCc1ccc(C#N)cc1 ZINC000594955023 347239840 /nfs/dbraw/zinc/23/98/40/347239840.db2.gz KQTSUDKLZRDCAV-UHFFFAOYSA-N 0 3 280.371 3.208 20 30 CGEDHN C=CCCSCCNCc1cnc(C2CC2)s1 ZINC000594960107 347241676 /nfs/dbraw/zinc/24/16/76/347241676.db2.gz JZCQHYXXHCMITH-UHFFFAOYSA-N 0 3 268.451 3.419 20 30 CGEDHN C=CCCSCCNCc1ccc(C#N)c(C)c1 ZINC000594960442 347241825 /nfs/dbraw/zinc/24/18/25/347241825.db2.gz QKRMVBMPISDANY-UHFFFAOYSA-N 0 3 260.406 3.266 20 30 CGEDHN N#Cc1ccc(CCN2CCc3cc(F)ccc3C2)cc1 ZINC000595407177 347299365 /nfs/dbraw/zinc/29/93/65/347299365.db2.gz IQNVPRBCRUOQRM-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCSCC2)c(F)c1 ZINC000595013816 347257037 /nfs/dbraw/zinc/25/70/37/347257037.db2.gz SVPHQVZFXPKESG-ZDUSSCGKSA-N 0 3 264.369 3.073 20 30 CGEDHN C=CCCSCCN[C@H](C)c1ccnc(OC)c1 ZINC000595060110 347274240 /nfs/dbraw/zinc/27/42/40/347274240.db2.gz RQXCLUZHCWUXQK-GFCCVEGCSA-N 0 3 266.410 3.050 20 30 CGEDHN COC1(C[C@@H](C)NCC2(C#N)CCCCC2)CCC1 ZINC000595092112 347281293 /nfs/dbraw/zinc/28/12/93/347281293.db2.gz XDEQHCSWEHOUTO-CQSZACIVSA-N 0 3 264.413 3.398 20 30 CGEDHN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000595104265 347284284 /nfs/dbraw/zinc/28/42/84/347284284.db2.gz RMTWLGLPFJBULQ-SUNYJGFJSA-N 0 3 280.371 3.331 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1onc(C)c1[N+](=O)[O-] ZINC000595602013 347324252 /nfs/dbraw/zinc/32/42/52/347324252.db2.gz FPWFXIDQLLDNCN-RYUDHWBXSA-N 0 3 279.340 3.116 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000595658726 347334652 /nfs/dbraw/zinc/33/46/52/347334652.db2.gz INLSDGDTUCATIS-CYBMUJFWSA-N 0 3 260.337 3.383 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](CCF)C1 ZINC000595755510 347350702 /nfs/dbraw/zinc/35/07/02/347350702.db2.gz NICKQCIPOROAIE-ZDUSSCGKSA-N 0 3 276.355 3.138 20 30 CGEDHN CC(C)=CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000595472973 347308720 /nfs/dbraw/zinc/30/87/20/347308720.db2.gz RKHZRDXFYBAXBA-UHFFFAOYSA-N 0 3 269.392 3.295 20 30 CGEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000595567197 347320305 /nfs/dbraw/zinc/32/03/05/347320305.db2.gz KHEXJCZTKQIVOE-OAHLLOKOSA-N 0 3 284.403 3.134 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(C(=O)OC)c1 ZINC000595844536 347367226 /nfs/dbraw/zinc/36/72/26/347367226.db2.gz GBEFWJZUDFQLRD-BETUJISGSA-N 0 3 277.389 3.218 20 30 CGEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)ccc1F ZINC000595857280 347368317 /nfs/dbraw/zinc/36/83/17/347368317.db2.gz IXPIEUKMOQYYMD-PHTAMDTFSA-N 0 3 258.340 3.460 20 30 CGEDHN CC(C)(C#N)CCCN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598137 347485589 /nfs/dbraw/zinc/48/55/89/347485589.db2.gz BZOJYVRUBLPMMM-UHFFFAOYSA-N 0 3 274.412 3.124 20 30 CGEDHN N#CCC1CCN(Cc2cc3ccncc3s2)CC1 ZINC000597083143 347534576 /nfs/dbraw/zinc/53/45/76/347534576.db2.gz SCUSHBZQNOBYRH-UHFFFAOYSA-N 0 3 271.389 3.422 20 30 CGEDHN CC[C@@H](C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000597977974 347613346 /nfs/dbraw/zinc/61/33/46/347613346.db2.gz MMTQPDQHAXPAAA-ZBFHGGJFSA-N 0 3 272.392 3.311 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(C2CC2)cc1F ZINC000598728539 347684290 /nfs/dbraw/zinc/68/42/90/347684290.db2.gz UNASSOCNYFFDIL-OAHLLOKOSA-N 0 3 290.382 3.093 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1CCCCO1 ZINC000599045582 347710188 /nfs/dbraw/zinc/71/01/88/347710188.db2.gz IFKVWZQGMIQLPG-NHYWBVRUSA-N 0 3 278.783 3.259 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CCCCO1 ZINC000599045578 347710317 /nfs/dbraw/zinc/71/03/17/347710317.db2.gz IFKVWZQGMIQLPG-IAQYHMDHSA-N 0 3 278.783 3.259 20 30 CGEDHN COC(=O)CC1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000599053025 347710635 /nfs/dbraw/zinc/71/06/35/347710635.db2.gz CPQUUBWXRTYKGP-UHFFFAOYSA-N 0 3 292.423 3.172 20 30 CGEDHN CC1(C)CC[C@@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000599678467 347765376 /nfs/dbraw/zinc/76/53/76/347765376.db2.gz RDZPOLXNTJCKIF-INIZCTEOSA-N 0 3 284.403 3.068 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)oc2CC)C1 ZINC000599526868 347750709 /nfs/dbraw/zinc/75/07/09/347750709.db2.gz VIMCCJSJIPLHJV-GFCCVEGCSA-N 0 3 277.364 3.027 20 30 CGEDHN N#CCCCCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599545997 347752870 /nfs/dbraw/zinc/75/28/70/347752870.db2.gz URWUFRXLNUOGSK-TZMCWYRMSA-N 0 3 298.308 3.204 20 30 CGEDHN Cc1ccc(CN2CCCC(F)(F)CC2)cc1C#N ZINC000599553260 347754453 /nfs/dbraw/zinc/75/44/53/347754453.db2.gz XQOXTAJNNKBUJF-UHFFFAOYSA-N 0 3 264.319 3.488 20 30 CGEDHN COc1ccc([C@H](C)NCCC(C)(C)C#N)c(OC)c1 ZINC000599595477 347757106 /nfs/dbraw/zinc/75/71/06/347757106.db2.gz HERZVRYLAXGAAS-LBPRGKRZSA-N 0 3 276.380 3.294 20 30 CGEDHN COc1ccc([C@H](C)NCCCSCC#N)c(OC)c1 ZINC000599598934 347757413 /nfs/dbraw/zinc/75/74/13/347757413.db2.gz BYRJPHATHKKEKJ-LBPRGKRZSA-N 0 3 294.420 3.001 20 30 CGEDHN CC(C)(C#N)CCCN1CCc2c(O)cccc2C1 ZINC000599646454 347761487 /nfs/dbraw/zinc/76/14/87/347761487.db2.gz KOWZIBLNJCAQEI-UHFFFAOYSA-N 0 3 258.365 3.080 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000600179811 347789892 /nfs/dbraw/zinc/78/98/92/347789892.db2.gz WPKSBHWTGBKBQB-ZDUSSCGKSA-N 0 3 253.349 3.294 20 30 CGEDHN COc1cc(C#N)ccc1CNc1cccc(CN(C)C)c1 ZINC000600848024 347840699 /nfs/dbraw/zinc/84/06/99/347840699.db2.gz GBBZVXDTFWBKHX-UHFFFAOYSA-N 0 3 295.386 3.241 20 30 CGEDHN C[C@]1(c2ccccc2)CC[C@@H](N2CCN(CCC#N)CC2)C1 ZINC000601316371 347891043 /nfs/dbraw/zinc/89/10/43/347891043.db2.gz KNRAEIDYFSIYNP-MOPGFXCFSA-N 0 3 297.446 3.028 20 30 CGEDHN N#Cc1c(F)cccc1CNCCCCNc1ccccn1 ZINC000602003312 347931698 /nfs/dbraw/zinc/93/16/98/347931698.db2.gz UDCOAUPLIAAVSK-UHFFFAOYSA-N 0 3 298.365 3.074 20 30 CGEDHN C[C@H](CC1CCC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000601868849 347920784 /nfs/dbraw/zinc/92/07/84/347920784.db2.gz HOEHNIKHSSIGRB-PBHICJAKSA-N 0 3 284.403 3.454 20 30 CGEDHN C=CCN(CCC[C@@H]1CCO1)Cc1cccc(C#N)c1 ZINC000602455265 347961198 /nfs/dbraw/zinc/96/11/98/347961198.db2.gz QXUDVKJNJTWGAH-QGZVFWFLSA-N 0 3 270.376 3.115 20 30 CGEDHN CC(C)Oc1ncccc1CNC1CCC(C#N)CC1 ZINC000602500827 347971019 /nfs/dbraw/zinc/97/10/19/347971019.db2.gz QDFZGPQCYDSKEM-UHFFFAOYSA-N 0 3 273.380 3.041 20 30 CGEDHN C[C@H](CCC#N)CNCc1nnc(-c2ccccc2)s1 ZINC000602567574 347984106 /nfs/dbraw/zinc/98/41/06/347984106.db2.gz HATSQHPLYPEEIB-GFCCVEGCSA-N 0 3 286.404 3.235 20 30 CGEDHN COc1ccc(CNC2CCC(C#N)CC2)c(F)c1 ZINC000602571297 347985116 /nfs/dbraw/zinc/98/51/16/347985116.db2.gz ZHJDOSIHVOHWRF-UHFFFAOYSA-N 0 3 262.328 3.006 20 30 CGEDHN CCC[C@H](CN[C@H](CCC#N)c1ccccc1)OC ZINC000602583592 347988561 /nfs/dbraw/zinc/98/85/61/347988561.db2.gz RUHZCSUCEJOHFT-HZPDHXFCSA-N 0 3 260.381 3.436 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000602610142 347993040 /nfs/dbraw/zinc/99/30/40/347993040.db2.gz GIAYBALQXGCRHX-HZSPNIEDSA-N 0 3 264.413 3.395 20 30 CGEDHN Cc1cccc(OCCCNCc2cccc(C#N)n2)c1C ZINC000602641065 347999203 /nfs/dbraw/zinc/99/92/03/347999203.db2.gz PMUJDIDRXCADJW-UHFFFAOYSA-N 0 3 295.386 3.129 20 30 CGEDHN CC(C)O[C@H](CNCC1(CC#N)CC1)c1ccccc1 ZINC000602644450 348000071 /nfs/dbraw/zinc/00/00/71/348000071.db2.gz XPGXVBKVUCTFDH-MRXNPFEDSA-N 0 3 272.392 3.436 20 30 CGEDHN C=CC[C@H](CC)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647724 348000480 /nfs/dbraw/zinc/00/04/80/348000480.db2.gz MABQSNYRBFAFSD-JTQLQIEISA-N 0 3 275.308 3.180 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(c2ccccc2F)C[C@@H]1C ZINC000602647537 348000758 /nfs/dbraw/zinc/00/07/58/348000758.db2.gz TYBAHHVSOOZGBA-GJZGRUSLSA-N 0 3 289.398 3.276 20 30 CGEDHN C[C@H](CCC#N)CN1CC(Cc2ccc(F)c(F)c2)C1 ZINC000602688075 348009947 /nfs/dbraw/zinc/00/99/47/348009947.db2.gz JZGSAJZREIGBDN-GFCCVEGCSA-N 0 3 278.346 3.379 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(F)c1N ZINC000602698815 348012023 /nfs/dbraw/zinc/01/20/23/348012023.db2.gz ZEIFSQJTTPVPGB-QGZVFWFLSA-N 0 3 295.361 3.447 20 30 CGEDHN COc1nc(C)cc(C)c1CN(C)C[C@H](C)CCC#N ZINC000602716612 348016574 /nfs/dbraw/zinc/01/65/74/348016574.db2.gz URMBRALMHCLHMA-GFCCVEGCSA-N 0 3 275.396 3.079 20 30 CGEDHN C[C@H](CCC#N)CN[C@H](CF)c1ccc(F)cc1 ZINC000602750176 348022817 /nfs/dbraw/zinc/02/28/17/348022817.db2.gz FKKXEPSNRRPWDV-BXUZGUMPSA-N 0 3 252.308 3.366 20 30 CGEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CC1(CC#N)CC1 ZINC000602763542 348025163 /nfs/dbraw/zinc/02/51/63/348025163.db2.gz LURVSYDFJHUHHC-UHFFFAOYSA-N 0 3 287.363 3.499 20 30 CGEDHN COc1ccc(CN(C)CC2(CC#N)CC2)cc1C ZINC000602772711 348026676 /nfs/dbraw/zinc/02/66/76/348026676.db2.gz NPNGDXXSXRWJAM-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN N#CCC1(CN(CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000602780469 348027235 /nfs/dbraw/zinc/02/72/35/348027235.db2.gz UYCFOGKNPAHWJB-KRWDZBQOSA-N 0 3 284.403 3.052 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)n1)Cc1ccccc1 ZINC000602549912 347979980 /nfs/dbraw/zinc/97/99/80/347979980.db2.gz FNLIHKFXUNQHJH-UHFFFAOYSA-N 0 3 279.387 3.312 20 30 CGEDHN N#CCC1(CN2CCC[C@@H]2c2ccc(O)cc2)CC1 ZINC000602791703 348030650 /nfs/dbraw/zinc/03/06/50/348030650.db2.gz RYGPIEZNHDWCST-OAHLLOKOSA-N 0 3 256.349 3.223 20 30 CGEDHN C[C@@H]1C[C@H](c2cccnc2)N(CC2(CC#N)CC2)C1 ZINC000602807044 348032623 /nfs/dbraw/zinc/03/26/23/348032623.db2.gz HJXOYDFZOFKVDU-UKRRQHHQSA-N 0 3 255.365 3.158 20 30 CGEDHN CC1(C)CO[C@H](CNC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000602873035 348039385 /nfs/dbraw/zinc/03/93/85/348039385.db2.gz GULBTQNIKVVYKK-INIZCTEOSA-N 0 3 284.403 3.342 20 30 CGEDHN N#CCC1(CN2CC[C@H](c3ccc4cccnc4n3)C2)CC1 ZINC000602881291 348040144 /nfs/dbraw/zinc/04/01/44/348040144.db2.gz GEVDUVIYVQGGLZ-HNNXBMFYSA-N 0 3 292.386 3.113 20 30 CGEDHN C[C@@H](c1ccncc1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909260 348042516 /nfs/dbraw/zinc/04/25/16/348042516.db2.gz LBJSWPXDKUMVJP-AWEZNQCLSA-N 0 3 292.386 3.289 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(Cc3nccs3)CC2)C1 ZINC000602954016 348046917 /nfs/dbraw/zinc/04/69/17/348046917.db2.gz GCPDIIJFZAIIFK-KGLIPLIRSA-N 0 3 275.421 3.090 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCOC(C)(C)C ZINC000604492816 348121627 /nfs/dbraw/zinc/12/16/27/348121627.db2.gz XXULVZFRABZPNH-ZDUSSCGKSA-N 0 3 260.381 3.366 20 30 CGEDHN C=CCCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000605150739 348148848 /nfs/dbraw/zinc/14/88/48/348148848.db2.gz VGSNLFLWNHJYGH-INIZCTEOSA-N 0 3 288.435 3.340 20 30 CGEDHN CC#CCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000607726904 348257966 /nfs/dbraw/zinc/25/79/66/348257966.db2.gz HDOWINCHEDUXJY-OAHLLOKOSA-N 0 3 252.361 3.371 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN([C@H](C)CCc2ccccc2)CC1 ZINC000609487049 348345357 /nfs/dbraw/zinc/34/53/57/348345357.db2.gz WADLGLYVYKRELX-IEBWSBKVSA-N 0 3 299.462 3.173 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000609920556 348357994 /nfs/dbraw/zinc/35/79/94/348357994.db2.gz QESFFOYJZQJCBI-LBPRGKRZSA-N 0 3 258.365 3.102 20 30 CGEDHN CC(C#N)C(=O)NC(c1cccs1)c1cccs1 ZINC000610016443 348361293 /nfs/dbraw/zinc/36/12/93/348361293.db2.gz WSNSZFUENWOEIO-SECBINFHSA-N 0 3 276.386 3.175 20 30 CGEDHN C[C@@H]1COCCCN1Cc1ccccc1C(C)(C)C#N ZINC000610990574 348414045 /nfs/dbraw/zinc/41/40/45/348414045.db2.gz BHVCYNHMBWMLRD-CQSZACIVSA-N 0 3 272.392 3.099 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)ccn1 ZINC000610993584 348415938 /nfs/dbraw/zinc/41/59/38/348415938.db2.gz YOYSYAPVOJTUKZ-INIZCTEOSA-N 0 3 295.361 3.157 20 30 CGEDHN Cc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)c(C)n1 ZINC000611336058 348438951 /nfs/dbraw/zinc/43/89/51/348438951.db2.gz ACIHHJNGAILHRF-AWEZNQCLSA-N 0 3 295.386 3.300 20 30 CGEDHN CC#CCN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273368248 192128280 /nfs/dbraw/zinc/12/82/80/192128280.db2.gz BLBGAEKILKMPNA-HZPDHXFCSA-N 0 3 261.340 3.001 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCC[C@H](C)N2CCCCC2)c1 ZINC000273369195 192128939 /nfs/dbraw/zinc/12/89/39/192128939.db2.gz XJMRONDRJSARJO-AWEZNQCLSA-N 0 3 299.418 3.437 20 30 CGEDHN COc1ccc([C@H](NCc2ccnc(C#N)c2)C(C)C)cc1 ZINC000611376987 348442175 /nfs/dbraw/zinc/44/21/75/348442175.db2.gz FGCOUQHLFHAHBH-GOSISDBHSA-N 0 3 295.386 3.449 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](CO)c1ccccc1 ZINC000611393807 348445726 /nfs/dbraw/zinc/44/57/26/348445726.db2.gz MKSNHNBJULCRHZ-MOPGFXCFSA-N 0 3 292.382 3.259 20 30 CGEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCCSCC#N ZINC000611554389 348460291 /nfs/dbraw/zinc/46/02/91/348460291.db2.gz NFBHVCVVUCCZDU-GHMZBOCLSA-N 0 3 280.359 3.296 20 30 CGEDHN C[C@H](NCC1(C#N)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000612740547 348542714 /nfs/dbraw/zinc/54/27/14/348542714.db2.gz IQXIITBRQMCTFF-ORVZXPRGSA-N 0 3 258.409 3.485 20 30 CGEDHN C[C@]1(C#N)CCCN(C[C@H]2CCc3ccccc3C2)C1 ZINC000612165227 348499196 /nfs/dbraw/zinc/49/91/96/348499196.db2.gz LTJGMDTWAHFUJB-MAUKXSAKSA-N 0 3 268.404 3.417 20 30 CGEDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC(C)(C)C#N ZINC000613540400 348616413 /nfs/dbraw/zinc/61/64/13/348616413.db2.gz VJTJRQJXRYNTHQ-GFCCVEGCSA-N 0 3 275.352 3.055 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000613666829 348626490 /nfs/dbraw/zinc/62/64/90/348626490.db2.gz BBFOTUQFMVQUSO-GZBFAFLISA-N 0 3 258.365 3.428 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(OC(C)C)CC1 ZINC000614398494 348673078 /nfs/dbraw/zinc/67/30/78/348673078.db2.gz ZYFCXSNBRLJPFD-UHFFFAOYSA-N 0 3 272.392 3.256 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccnc2)C1 ZINC000614962858 348703361 /nfs/dbraw/zinc/70/33/61/348703361.db2.gz KBKCFMGMLPXXAO-PBHICJAKSA-N 0 3 280.375 3.153 20 30 CGEDHN N#Cc1ccc(Br)c(CNC2(C3CC3)CC2)c1 ZINC000617219531 348937152 /nfs/dbraw/zinc/93/71/52/348937152.db2.gz NCUWGFMLAXDBMO-UHFFFAOYSA-N 0 3 291.192 3.353 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC(F)(F)C1 ZINC000617585449 348979301 /nfs/dbraw/zinc/97/93/01/348979301.db2.gz FYFZNWJYFZFJFQ-AWEZNQCLSA-N 0 3 262.303 3.323 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccnc(C#N)c2)C1(CC)CC ZINC000617541711 348966138 /nfs/dbraw/zinc/96/61/38/348966138.db2.gz PJYBQRFORWGRDN-CVEARBPZSA-N 0 3 287.407 3.027 20 30 CGEDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000358557639 233154000 /nfs/dbraw/zinc/15/40/00/233154000.db2.gz CGPHSOIAPHUZNT-IUIKQTSFSA-N 0 3 276.355 3.306 20 30 CGEDHN CC(C)N(CCN(C)C)c1nc(C(C)(C)C)ccc1C#N ZINC000618343538 349071587 /nfs/dbraw/zinc/07/15/87/349071587.db2.gz LRDAKNKFWJVNCW-UHFFFAOYSA-N 0 3 288.439 3.027 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3cc(O)ccc3C2)c(F)c1 ZINC000618197910 349061574 /nfs/dbraw/zinc/06/15/74/349061574.db2.gz WBHHLDKXIHQIRL-INIZCTEOSA-N 0 3 296.345 3.050 20 30 CGEDHN Cn1cc(CN[C@H]2CCCc3c(F)cccc32)cc1C#N ZINC000335364054 282645360 /nfs/dbraw/zinc/64/53/60/282645360.db2.gz SFVQQSQCXGUAAN-KRWDZBQOSA-N 0 3 283.350 3.203 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCC)C2)CCCCC1 ZINC000619905711 349289472 /nfs/dbraw/zinc/28/94/72/349289472.db2.gz XRROABBWQHXQEG-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN CCC[C@@H](C)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619720748 349279123 /nfs/dbraw/zinc/27/91/23/349279123.db2.gz TXHFYCLMUJMUPY-PBHICJAKSA-N 0 3 289.398 3.197 20 30 CGEDHN C=CCN(CC(=O)N(CCC)CC(F)(F)F)C(C)(C)C ZINC000625538619 350183175 /nfs/dbraw/zinc/18/31/75/350183175.db2.gz IXYJYTHPISNGGV-UHFFFAOYSA-N 0 3 294.361 3.074 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(OC)c(OC)cc2OC)C1 ZINC000628405337 350528640 /nfs/dbraw/zinc/52/86/40/350528640.db2.gz JKHSWIJWDGFHCI-ZDUSSCGKSA-N 0 3 291.391 3.110 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(CCC)s2)CC1 ZINC000630943662 350913655 /nfs/dbraw/zinc/91/36/55/350913655.db2.gz SIFNYQPCICMREX-UHFFFAOYSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C1CC(C)(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000630723800 350878769 /nfs/dbraw/zinc/87/87/69/350878769.db2.gz XJRPPLDSIVXNDI-UHFFFAOYSA-N 0 3 258.365 3.043 20 30 CGEDHN C=CCOCCNCc1ccccc1CC(F)(F)F ZINC000631110974 350956878 /nfs/dbraw/zinc/95/68/78/350956878.db2.gz PPFWUIBEEGUUES-UHFFFAOYSA-N 0 3 273.298 3.084 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](CC)c1cccc(OC)c1OC ZINC000631634087 351098700 /nfs/dbraw/zinc/09/87/00/351098700.db2.gz UXFDJVLYVDANQF-UKRRQHHQSA-N 0 3 293.407 3.072 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC000634276893 351461245 /nfs/dbraw/zinc/46/12/45/351461245.db2.gz XMSMUDLWLDGKAM-KRWDZBQOSA-N 0 3 298.430 3.042 20 30 CGEDHN CSCC[C@@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000122920595 187060189 /nfs/dbraw/zinc/06/01/89/187060189.db2.gz AXNWCJKZUXJGCW-CYBMUJFWSA-N 0 3 265.397 3.251 20 30 CGEDHN CC(C)[C@H]1N(C[C@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000291932746 198109685 /nfs/dbraw/zinc/10/96/85/198109685.db2.gz OPGCTOZEVUAEQD-DLBZAZTESA-N 0 3 284.403 3.102 20 30 CGEDHN COc1ccc([C@@H](C)NCCOc2ccccc2C#N)cc1 ZINC000271617781 191242624 /nfs/dbraw/zinc/24/26/24/191242624.db2.gz CMCSETNZUWFASW-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN OCCC[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000271839582 191358497 /nfs/dbraw/zinc/35/84/97/191358497.db2.gz VQIODIGKJNOHNH-IBGZPJMESA-N 0 3 297.373 3.281 20 30 CGEDHN CC(C)[C@@H](O)C1(CN[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000271873352 191382291 /nfs/dbraw/zinc/38/22/91/191382291.db2.gz NJKJHWKCQACSJR-XJKSGUPXSA-N 0 3 272.392 3.006 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H](O)c1cccc(F)c1)c1cccc(C#N)c1 ZINC000271840972 191361759 /nfs/dbraw/zinc/36/17/59/191361759.db2.gz GRPNJKCOITUQKF-LXIYXOSZSA-N 0 3 298.361 3.470 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000352832303 283145776 /nfs/dbraw/zinc/14/57/76/283145776.db2.gz FDPRHBLYPXEOSD-ZDUSSCGKSA-N 0 3 298.308 3.236 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCO[C@H]1CCCCO1 ZINC000425537744 236258380 /nfs/dbraw/zinc/25/83/80/236258380.db2.gz QZAPDDNEQNWYKT-PBHICJAKSA-N 0 3 288.391 3.094 20 30 CGEDHN Cc1cnccc1CNCCSCc1ccccc1C#N ZINC000294646333 199122078 /nfs/dbraw/zinc/12/20/78/199122078.db2.gz BNHGEOXOGMTJHP-UHFFFAOYSA-N 0 3 297.427 3.285 20 30 CGEDHN C[C@@H](NCCC(C)(F)F)c1ccc(C#N)c(F)c1 ZINC000297442562 200191214 /nfs/dbraw/zinc/19/12/14/200191214.db2.gz WHWGDIWEVMNAAO-SECBINFHSA-N 0 3 256.271 3.393 20 30 CGEDHN CCCC(O)(CCC)CNCc1ccc(C#N)s1 ZINC000176973294 189018189 /nfs/dbraw/zinc/01/81/89/189018189.db2.gz BJYQPWRHEMCXFB-UHFFFAOYSA-N 0 3 266.410 3.041 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000176975966 189018259 /nfs/dbraw/zinc/01/82/59/189018259.db2.gz GKUXGQUPWZRXDJ-KGLIPLIRSA-N 0 3 276.405 3.057 20 30 CGEDHN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)CC(C)C ZINC000177175062 189034461 /nfs/dbraw/zinc/03/44/61/189034461.db2.gz GGTKGDFUBRCMPW-UHFFFAOYSA-N 0 3 293.436 3.153 20 30 CGEDHN Cc1nc(CCNC2(c3cccc(C#N)c3)CC2)cs1 ZINC000341968278 216170693 /nfs/dbraw/zinc/17/06/93/216170693.db2.gz LJHLVBZAUPXFDR-UHFFFAOYSA-N 0 3 283.400 3.145 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2cccnc2Cl)CC1 ZINC000177907511 189078588 /nfs/dbraw/zinc/07/85/88/189078588.db2.gz QXJJYBDEIOAYAK-GFCCVEGCSA-N 0 3 279.815 3.036 20 30 CGEDHN CCN(CCc1nccs1)Cc1cccc(C#N)c1 ZINC000179036032 189163434 /nfs/dbraw/zinc/16/34/34/189163434.db2.gz APRJJLIUCWXBLH-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc3ccccc3n2C)CC1 ZINC000179292885 189183874 /nfs/dbraw/zinc/18/38/74/189183874.db2.gz CPJHYRBYLCANKG-UHFFFAOYSA-N 0 3 284.407 3.026 20 30 CGEDHN C[C@H](NC[C@H](O)CC(C)(C)C)c1ccc(C#N)cc1 ZINC000181767831 189306229 /nfs/dbraw/zinc/30/62/29/189306229.db2.gz FBPQNSUHTJWGHU-SWLSCSKDSA-N 0 3 260.381 3.006 20 30 CGEDHN C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000119641951 370694295 /nfs/dbraw/zinc/69/42/95/370694295.db2.gz AEMXNNLRKJRIDV-WCQYABFASA-N 0 3 276.355 3.306 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@H](C)CN1CCCCC1 ZINC000302030062 201307764 /nfs/dbraw/zinc/30/77/64/201307764.db2.gz BNHOSGOSIKQCEW-AWEZNQCLSA-N 0 3 299.418 3.295 20 30 CGEDHN CC1(C)CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000119827898 370713835 /nfs/dbraw/zinc/71/38/35/370713835.db2.gz FUIVLIABWRASKN-GFCCVEGCSA-N 0 3 291.420 3.117 20 30 CGEDHN Cc1cccc(C[C@H](CO)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000191611685 189600460 /nfs/dbraw/zinc/60/04/60/189600460.db2.gz MCCLLCBNUQLJFJ-HNAYVOBHSA-N 0 3 294.398 3.121 20 30 CGEDHN C[C@H]1[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCCN1C ZINC000463497208 242399751 /nfs/dbraw/zinc/39/97/51/242399751.db2.gz TWLPLFOIMCTXAP-IINYFYTJSA-N 0 3 297.324 3.472 20 30 CGEDHN N#Cc1ccc(OCCN2CC[C@@H]2Cc2ccccc2)cc1 ZINC000479128391 243094301 /nfs/dbraw/zinc/09/43/01/243094301.db2.gz JLEZQHCXOUPJOB-GOSISDBHSA-N 0 3 292.382 3.254 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000126283562 370944054 /nfs/dbraw/zinc/94/40/54/370944054.db2.gz ONVDJTKDWAHIKF-INIZCTEOSA-N 0 3 277.408 3.071 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000037748933 369104481 /nfs/dbraw/zinc/10/44/81/369104481.db2.gz LOGUVLPGBWPPKU-CYBMUJFWSA-N 0 3 278.355 3.344 20 30 CGEDHN CC(C)CCOCCN[C@H](C)c1ccc(C#N)cc1 ZINC000044387503 369261234 /nfs/dbraw/zinc/26/12/34/369261234.db2.gz IHXXAUNSZXRSGT-CQSZACIVSA-N 0 3 260.381 3.272 20 30 CGEDHN CN(CCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000046518055 369294912 /nfs/dbraw/zinc/29/49/12/369294912.db2.gz WEIZLZRFGZSXPL-UHFFFAOYSA-N 0 3 280.371 3.459 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](C)SC ZINC000128035732 370959527 /nfs/dbraw/zinc/95/95/27/370959527.db2.gz FUKCBHOGPLQUHP-GFCCVEGCSA-N 0 3 251.395 3.093 20 30 CGEDHN C=CCCN(C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000276206158 193242425 /nfs/dbraw/zinc/24/24/25/193242425.db2.gz ZNXZKRYVRYQWIG-UHFFFAOYSA-N 0 3 277.318 3.363 20 30 CGEDHN N#CCCCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000057599346 369543207 /nfs/dbraw/zinc/54/32/07/369543207.db2.gz WQRQFRUSQOVIKP-UHFFFAOYSA-N 0 3 291.826 3.151 20 30 CGEDHN C=CCCN(C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000276486347 193350982 /nfs/dbraw/zinc/35/09/82/193350982.db2.gz UEWYGZVSEANMJK-CYBMUJFWSA-N 0 3 257.736 3.020 20 30 CGEDHN COc1ccccc1[C@@H]1CCCN1CCCSCC#N ZINC000074990158 369894294 /nfs/dbraw/zinc/89/42/94/369894294.db2.gz IRSSDOPKWVRJRH-HNNXBMFYSA-N 0 3 290.432 3.479 20 30 CGEDHN C=C(C)CN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000084680706 370014755 /nfs/dbraw/zinc/01/47/55/370014755.db2.gz POSBHWIFLDDELX-UHFFFAOYSA-N 0 3 264.457 3.395 20 30 CGEDHN C=CCC[C@H](O)CN1CC=C(c2cccc(C)c2)CC1 ZINC000092822213 370103657 /nfs/dbraw/zinc/10/36/57/370103657.db2.gz KLVCQEHFGFLYGK-SFHVURJKSA-N 0 3 271.404 3.411 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](COCC)C1 ZINC000093419166 370127343 /nfs/dbraw/zinc/12/73/43/370127343.db2.gz TZVILTZEHJENNQ-INIZCTEOSA-N 0 3 289.419 3.500 20 30 CGEDHN C=CCCCN(C)Cc1ccc(N2CCCC2)nc1 ZINC000093533588 370138869 /nfs/dbraw/zinc/13/88/69/370138869.db2.gz MCZKILSQCDIWCQ-UHFFFAOYSA-N 0 3 259.397 3.080 20 30 CGEDHN CCN(CCc1nccs1)Cc1cc(C#N)cs1 ZINC000093764691 370157578 /nfs/dbraw/zinc/15/75/78/370157578.db2.gz IBNHUXNFAUUVMC-UHFFFAOYSA-N 0 3 277.418 3.141 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCCC ZINC000097056392 370220778 /nfs/dbraw/zinc/22/07/78/370220778.db2.gz WMIIAKOTCHPNBH-CQSZACIVSA-N 0 3 294.464 3.383 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(=O)oc2cc(C)ccc12 ZINC000098068884 370263160 /nfs/dbraw/zinc/26/31/60/370263160.db2.gz BVQRDCRDORISNS-UHFFFAOYSA-N 0 3 271.360 3.499 20 30 CGEDHN CC[C@H](c1ccncc1)N(C)CCOc1cccc(C#N)c1 ZINC000130147235 371013065 /nfs/dbraw/zinc/01/30/65/371013065.db2.gz BFUCQTQBMPLCFP-GOSISDBHSA-N 0 3 295.386 3.415 20 30 CGEDHN Clc1ccc(C#CCN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000464899060 261248625 /nfs/dbraw/zinc/24/86/25/261248625.db2.gz SAXLZHRDXJBVMV-GJZGRUSLSA-N 0 3 259.780 3.423 20 30 CGEDHN C=CCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000133173621 371233276 /nfs/dbraw/zinc/23/32/76/371233276.db2.gz VCYPFEQYVIKEKG-AWEZNQCLSA-N 0 3 261.340 3.297 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)o1)c1cccs1 ZINC000135186221 371400401 /nfs/dbraw/zinc/40/04/01/371400401.db2.gz CTXRINUFJWHNFS-UHFFFAOYSA-N 0 3 260.362 3.280 20 30 CGEDHN CCN1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136951477 371488670 /nfs/dbraw/zinc/48/86/70/371488670.db2.gz LNFYVUXMCQJLKB-UHFFFAOYSA-N 0 3 297.324 3.109 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CCCSC1 ZINC000135697418 371445600 /nfs/dbraw/zinc/44/56/00/371445600.db2.gz CJHYWVSNRWAYRK-AWEZNQCLSA-N 0 3 263.406 3.237 20 30 CGEDHN C#CCCCCNCc1csc(-c2ccccn2)n1 ZINC000150730794 371534461 /nfs/dbraw/zinc/53/44/61/371534461.db2.gz BOAFIYGMJSEQFS-UHFFFAOYSA-N 0 3 271.389 3.098 20 30 CGEDHN Cc1ccc([C@@H](CNc2ccnc(C#N)c2)N2CCCC2)o1 ZINC000288049833 371728833 /nfs/dbraw/zinc/72/88/33/371728833.db2.gz ULHZBVMNDJTHFR-MRXNPFEDSA-N 0 3 296.374 3.104 20 30 CGEDHN C[C@@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154167315 371825423 /nfs/dbraw/zinc/82/54/23/371825423.db2.gz HNPMGCJBVQRMFQ-GFCCVEGCSA-N 0 3 283.293 3.421 20 30 CGEDHN CN(CCOCc1ccc(C#N)cc1)CCc1ccccc1 ZINC000344107275 217052428 /nfs/dbraw/zinc/05/24/28/217052428.db2.gz JGYCCIIIXCVKKK-UHFFFAOYSA-N 0 3 294.398 3.249 20 30 CGEDHN Cc1nc(CN)ccc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000422977668 371898596 /nfs/dbraw/zinc/89/85/96/371898596.db2.gz XEOYWBDJRYDRRG-STQMWFEESA-N 0 3 294.402 3.132 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1ccc(C#N)s1 ZINC000290438446 371989791 /nfs/dbraw/zinc/98/97/91/371989791.db2.gz LSORIDCWBKLSGZ-JTQLQIEISA-N 0 3 254.424 3.193 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@H](C)C1(C)CC1 ZINC000156731178 371993240 /nfs/dbraw/zinc/99/32/40/371993240.db2.gz LKNGSFJEUZEYIJ-GFCCVEGCSA-N 0 3 258.365 3.187 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1C1CCC1 ZINC000158206784 372060392 /nfs/dbraw/zinc/06/03/92/372060392.db2.gz FJEKSMAURGRPND-INIZCTEOSA-N 0 3 270.376 3.331 20 30 CGEDHN Cc1cccc(OCCN(C)CCC(C)(C)C#N)c1 ZINC000157727417 372034894 /nfs/dbraw/zinc/03/48/94/372034894.db2.gz GAKAEUOEYFSKIO-UHFFFAOYSA-N 0 3 260.381 3.246 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(N(C)C(C)C)nc1 ZINC000426557218 372165002 /nfs/dbraw/zinc/16/50/02/372165002.db2.gz DSMJRGPKVZLZBW-MRXNPFEDSA-N 0 3 273.424 3.467 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000426559044 372165189 /nfs/dbraw/zinc/16/51/89/372165189.db2.gz ILHYWYWRVHNLTJ-CQSZACIVSA-N 0 3 260.337 3.444 20 30 CGEDHN C=CCc1cc(CN(C)[C@H]2CC2(C)C)cc(OC)c1O ZINC000426558823 372165419 /nfs/dbraw/zinc/16/54/19/372165419.db2.gz WDHKGUJSUTYVCO-HNNXBMFYSA-N 0 3 275.392 3.360 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCNCc1ccc(C#N)cc1F ZINC000344228126 217110046 /nfs/dbraw/zinc/11/00/46/217110046.db2.gz WISJAJDJVAJFTI-OKILXGFUSA-N 0 3 289.398 3.050 20 30 CGEDHN CC#CCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160153417 372218511 /nfs/dbraw/zinc/21/85/11/372218511.db2.gz JNCSKEMOEJYBIR-AWEZNQCLSA-N 0 3 299.349 3.078 20 30 CGEDHN C#CCOc1ccc(CN2CCC(C)(OCC)CC2)cc1 ZINC000292734656 372200990 /nfs/dbraw/zinc/20/09/90/372200990.db2.gz GTCSXRQSHNRGRZ-UHFFFAOYSA-N 0 3 287.403 3.090 20 30 CGEDHN C=C[C@H]1CCCCN1CCN1CCc2ccccc21 ZINC000428984302 372297066 /nfs/dbraw/zinc/29/70/66/372297066.db2.gz HOFTZAZUEKRLCH-INIZCTEOSA-N 0 3 256.393 3.090 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCC1(CC#N)CC1 ZINC000430736859 372394045 /nfs/dbraw/zinc/39/40/45/372394045.db2.gz GFEYXUVNNIRPKC-UKRRQHHQSA-N 0 3 258.365 3.046 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344370237 217173098 /nfs/dbraw/zinc/17/30/98/217173098.db2.gz QSCHYWHWYCFSJV-HZPDHXFCSA-N 0 3 290.382 3.333 20 30 CGEDHN C=CCCCN(C)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432819383 372573536 /nfs/dbraw/zinc/57/35/36/372573536.db2.gz XIVVUSIQGYLVCD-LLVKDONJSA-N 0 3 265.353 3.334 20 30 CGEDHN C[C@@H]1C[C@@H](C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433118869 372582318 /nfs/dbraw/zinc/58/23/18/372582318.db2.gz ZRYMNQPARARGPJ-INMHGKMJSA-N 0 3 284.403 3.263 20 30 CGEDHN CN(CC1CCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433308519 372587591 /nfs/dbraw/zinc/58/75/91/372587591.db2.gz YXNIXIJHGGHCCI-QGZVFWFLSA-N 0 3 284.403 3.408 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000167465243 372595909 /nfs/dbraw/zinc/59/59/09/372595909.db2.gz ROIPOGFQLFIDAE-GFCCVEGCSA-N 0 3 288.819 3.118 20 30 CGEDHN C#CCOc1ccc(CNCc2csc(C)c2)cc1 ZINC000295092930 372692438 /nfs/dbraw/zinc/69/24/38/372692438.db2.gz UBQFQZGMEWAKAA-UHFFFAOYSA-N 0 3 271.385 3.358 20 30 CGEDHN CCC(CC)CN(CCC#N)CC[C@@H]1CCOC1 ZINC000438097571 372878619 /nfs/dbraw/zinc/87/86/19/372878619.db2.gz RDSBLUYZWQIFJA-OAHLLOKOSA-N 0 3 252.402 3.065 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000438517185 372969225 /nfs/dbraw/zinc/96/92/25/372969225.db2.gz XZTGLXUYTSERPE-RDJZCZTQSA-N 0 3 289.806 3.192 20 30 CGEDHN C=CCN(CCC(=O)N1CCC[C@H]1C)Cc1ccccc1 ZINC000438839325 372970082 /nfs/dbraw/zinc/97/00/82/372970082.db2.gz VFBAWIVBYJKFJR-MRXNPFEDSA-N 0 3 286.419 3.076 20 30 CGEDHN CO[C@@H](C)CN(CC#Cc1ccccc1Cl)C(C)C ZINC000441167444 372997205 /nfs/dbraw/zinc/99/72/05/372997205.db2.gz MITLOPJFHDICDU-AWEZNQCLSA-N 0 3 279.811 3.437 20 30 CGEDHN C=CCN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000441176508 372997236 /nfs/dbraw/zinc/99/72/36/372997236.db2.gz MCHSPNDDQXFLRI-QAPCUYQASA-N 0 3 287.451 3.108 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cnn(CC)c2)cc1 ZINC000296002491 372990469 /nfs/dbraw/zinc/99/04/69/372990469.db2.gz QNHVUMHILMUTGJ-LSDHHAIUSA-N 0 3 297.402 3.327 20 30 CGEDHN CO[C@H](CN[C@H](C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000296179416 373045203 /nfs/dbraw/zinc/04/52/03/373045203.db2.gz CSSHMNXOEDKZPU-BEFAXECRSA-N 0 3 294.398 3.467 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)c2ccccc2n1 ZINC000442764867 373076178 /nfs/dbraw/zinc/07/61/78/373076178.db2.gz IGVHMFNRAIMNSN-GXTWGEPZSA-N 0 3 281.359 3.025 20 30 CGEDHN C=CCN(C(=O)C(C)C(F)(F)F)c1ccccc1 ZINC000443811435 373162179 /nfs/dbraw/zinc/16/21/79/373162179.db2.gz OSHJYSKIFSANKK-JTQLQIEISA-N 0 3 257.255 3.404 20 30 CGEDHN COCC[C@@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000344890783 217346605 /nfs/dbraw/zinc/34/66/05/217346605.db2.gz LWWLGVMTSLVWRS-ZDUSSCGKSA-N 0 3 278.421 3.258 20 30 CGEDHN CCN(CC)C(=O)[C@H]1CCCN1CCCCC(C)(C)C#N ZINC000444583107 373203293 /nfs/dbraw/zinc/20/32/93/373203293.db2.gz MGGRGOQUJYSYHC-OAHLLOKOSA-N 0 3 293.455 3.039 20 30 CGEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000444676927 373232736 /nfs/dbraw/zinc/23/27/36/373232736.db2.gz OTSJVLSYWZJDRH-DOTOQJQBSA-N 0 3 299.418 3.397 20 30 CGEDHN COc1cc(CNCc2ccc(OC)c(C#N)c2)ccc1C ZINC000174313455 373288931 /nfs/dbraw/zinc/28/89/31/373288931.db2.gz MHNCBYACNQHQQJ-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN CCN(CCNCc1ccc(C#N)o1)c1ccccc1C ZINC000174272767 373280338 /nfs/dbraw/zinc/28/03/38/373280338.db2.gz FEQIZZMLELPIFX-UHFFFAOYSA-N 0 3 283.375 3.076 20 30 CGEDHN Cc1ccc(N2CCC[C@@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000174589182 373341045 /nfs/dbraw/zinc/34/10/45/373341045.db2.gz FIJVUJKLNSIMRZ-OAHLLOKOSA-N 0 3 295.386 3.218 20 30 CGEDHN CCC[C@@]1(COC)CCCN1CC#Cc1ccccc1 ZINC000447395493 373433081 /nfs/dbraw/zinc/43/30/81/373433081.db2.gz SPSRSCNNRNANHD-SFHVURJKSA-N 0 3 271.404 3.319 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1CCCCO1 ZINC000299385511 373524458 /nfs/dbraw/zinc/52/44/58/373524458.db2.gz PJZFPJODPGTBFX-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@H](CN1CCCCC1)Nc1nc2c(cc1C#N)CCCC2 ZINC000301119767 373667161 /nfs/dbraw/zinc/66/71/61/373667161.db2.gz NFJSMYFKRWALMI-CQSZACIVSA-N 0 3 298.434 3.118 20 30 CGEDHN C[C@@H](CN1CCCCC1)Nc1nc2c(cc1C#N)CCCC2 ZINC000301119766 373667208 /nfs/dbraw/zinc/66/72/08/373667208.db2.gz NFJSMYFKRWALMI-AWEZNQCLSA-N 0 3 298.434 3.118 20 30 CGEDHN CC(C)Cn1ccnc1CNC1CCC(C)(C#N)CC1 ZINC000449219976 373672600 /nfs/dbraw/zinc/67/26/00/373672600.db2.gz BNPQENSORDAJHL-UHFFFAOYSA-N 0 3 274.412 3.101 20 30 CGEDHN CC1(C)OCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000449415805 373689410 /nfs/dbraw/zinc/68/94/10/373689410.db2.gz PZXLCXCWAQIYPE-CYBMUJFWSA-N 0 3 298.308 3.234 20 30 CGEDHN C=CCOc1cccc(CN(C)[C@@H](CO)c2ccccc2)c1 ZINC000449460009 373742901 /nfs/dbraw/zinc/74/29/01/373742901.db2.gz YOQIDIVSAKBMFZ-IBGZPJMESA-N 0 3 297.398 3.417 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC)c(F)c1 ZINC000449546940 373829837 /nfs/dbraw/zinc/82/98/37/373829837.db2.gz FUVIYPLDCXNXMD-CABCVRRESA-N 0 3 279.355 3.048 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(SC)c(OC)c1 ZINC000449549186 373829905 /nfs/dbraw/zinc/82/99/05/373829905.db2.gz VMFVGUVWZINWSD-KGLIPLIRSA-N 0 3 293.432 3.240 20 30 CGEDHN C=CCC[C@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000449695200 373844068 /nfs/dbraw/zinc/84/40/68/373844068.db2.gz DKRMFZCUSWBVIU-LLVKDONJSA-N 0 3 294.445 3.288 20 30 CGEDHN C=CCSCCN[C@@H]1CCCOc2ccccc21 ZINC000180454282 374008362 /nfs/dbraw/zinc/00/83/62/374008362.db2.gz MGUSLWXLYYKYLG-CQSZACIVSA-N 0 3 263.406 3.409 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCCCC1 ZINC000450071041 373986478 /nfs/dbraw/zinc/98/64/78/373986478.db2.gz ASNGYQXMUAIBQG-HUUCEWRRSA-N 0 3 290.451 3.254 20 30 CGEDHN C#CCSCCN[C@@H](C)c1cnc2ccsc2c1 ZINC000181095404 374079344 /nfs/dbraw/zinc/07/93/44/374079344.db2.gz PFIPMLVOJOEFCX-NSHDSACASA-N 0 3 276.430 3.313 20 30 CGEDHN CC(C)[C@H](O)C(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305810570 374114973 /nfs/dbraw/zinc/11/49/73/374114973.db2.gz JAHMQOZYOZMFOY-WBMJQRKESA-N 0 3 292.398 3.391 20 30 CGEDHN CC#CCN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181150457 374086409 /nfs/dbraw/zinc/08/64/09/374086409.db2.gz IXIADAIYLRSFQH-CQSZACIVSA-N 0 3 267.376 3.074 20 30 CGEDHN CC#CCN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181150457 374086415 /nfs/dbraw/zinc/08/64/15/374086415.db2.gz IXIADAIYLRSFQH-CQSZACIVSA-N 0 3 267.376 3.074 20 30 CGEDHN CC(C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000307784001 374152210 /nfs/dbraw/zinc/15/22/10/374152210.db2.gz XCXCGHHVVLSXEX-ZBFHGGJFSA-N 0 3 299.418 3.253 20 30 CGEDHN C=CCCOCCN[C@H](C)c1sc(C)nc1C ZINC000181766866 374166997 /nfs/dbraw/zinc/16/69/97/374166997.db2.gz KXDHMPAUWMOYBV-SNVBAGLBSA-N 0 3 254.399 3.003 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000451685951 374206823 /nfs/dbraw/zinc/20/68/23/374206823.db2.gz YRKCXAAQLOHANW-CABCVRRESA-N 0 3 276.767 3.035 20 30 CGEDHN C=CCCCCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000312346015 374277850 /nfs/dbraw/zinc/27/78/50/374277850.db2.gz WVZSXJPVLDPBQJ-CYBMUJFWSA-N 0 3 275.392 3.465 20 30 CGEDHN CC1(C)CCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332150999 374557087 /nfs/dbraw/zinc/55/70/87/374557087.db2.gz HGNRHBRHENKPGY-CQSZACIVSA-N 0 3 296.374 3.277 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332706749 374588895 /nfs/dbraw/zinc/58/88/95/374588895.db2.gz YAFSATDRMFCURW-DOMZBBRYSA-N 0 3 296.374 3.277 20 30 CGEDHN CC1(C#N)CCC(NCc2cnc(C3CC3)o2)CC1 ZINC000333256198 374602599 /nfs/dbraw/zinc/60/25/99/374602599.db2.gz FHCQHPYZGBZYMT-UHFFFAOYSA-N 0 3 259.353 3.114 20 30 CGEDHN C=CCN1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185383976 374654352 /nfs/dbraw/zinc/65/43/52/374654352.db2.gz WFTDBGRNYKZHRH-AWEZNQCLSA-N 0 3 274.408 3.002 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C2CCCC2)CC1 ZINC000186290299 374828046 /nfs/dbraw/zinc/82/80/46/374828046.db2.gz QGBSKJVRXCCTCO-HNNXBMFYSA-N 0 3 283.419 3.179 20 30 CGEDHN Cc1cc(C)c(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000334668402 374956279 /nfs/dbraw/zinc/95/62/79/374956279.db2.gz GHTNIDGWDVPYDT-GOSISDBHSA-N 0 3 277.371 3.347 20 30 CGEDHN N#Cc1csc(CNC2(Cc3ccccc3)CC2)c1 ZINC000187491887 375030641 /nfs/dbraw/zinc/03/06/41/375030641.db2.gz JVLWZAVGYGYSAT-UHFFFAOYSA-N 0 3 268.385 3.485 20 30 CGEDHN Cc1cc(CN2CCC3(CCOCC3)CC2)ccc1C#N ZINC000335071455 375106326 /nfs/dbraw/zinc/10/63/26/375106326.db2.gz LFEULBVKBZYNOA-UHFFFAOYSA-N 0 3 284.403 3.259 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H](C)C1 ZINC000187973056 375130194 /nfs/dbraw/zinc/13/01/94/375130194.db2.gz YHWXSNVEGBPORY-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN CO[C@@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000483684831 375182969 /nfs/dbraw/zinc/18/29/69/375182969.db2.gz NESHRRACRVIJLP-HZPDHXFCSA-N 0 3 277.795 3.239 20 30 CGEDHN C[C@H](CO)N(CC#Cc1cccc(Cl)c1)CC1CCC1 ZINC000483164790 375176276 /nfs/dbraw/zinc/17/62/76/375176276.db2.gz AGTBLCWZQUYTBZ-CQSZACIVSA-N 0 3 291.822 3.174 20 30 CGEDHN CCOC[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000487864220 375278781 /nfs/dbraw/zinc/27/87/81/375278781.db2.gz YJNMZEFRIFFILM-INIZCTEOSA-N 0 3 272.392 3.115 20 30 CGEDHN C#CCN(C)CCCCCn1c(C)nc2ccccc21 ZINC000491314157 375326220 /nfs/dbraw/zinc/32/62/20/375326220.db2.gz DDEOHEOSNBKHDP-UHFFFAOYSA-N 0 3 269.392 3.080 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cccc(F)c1 ZINC000489432632 375318108 /nfs/dbraw/zinc/31/81/08/375318108.db2.gz QVYUTNBUEGPPKE-HNNXBMFYSA-N 0 3 276.355 3.195 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(F)c3cccnc23)C1 ZINC000335285809 375258466 /nfs/dbraw/zinc/25/84/66/375258466.db2.gz HRGHAGMMDCSZRY-WCQYABFASA-N 0 3 269.323 3.156 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000189815653 375449804 /nfs/dbraw/zinc/44/98/04/375449804.db2.gz QFSIIVUJUMMIES-RDJZCZTQSA-N 0 3 274.408 3.008 20 30 CGEDHN C[C@H](NC1CCSCC1)c1ccc(C#N)cc1F ZINC000335912028 375535534 /nfs/dbraw/zinc/53/55/34/375535534.db2.gz JJPYXUOSLWCEHS-JTQLQIEISA-N 0 3 264.369 3.244 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@](CC)(CO)C2)c1 ZINC000190234216 375486299 /nfs/dbraw/zinc/48/62/99/375486299.db2.gz NAFKPNLIQUVGSX-GOSISDBHSA-N 0 3 289.419 3.236 20 30 CGEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000495124615 375498235 /nfs/dbraw/zinc/49/82/35/375498235.db2.gz WVVUWYTWQOMLNA-WMZOPIPTSA-N 0 3 298.430 3.089 20 30 CGEDHN C=CCN(CCOC)Cc1ccccc1C(C)(C)C#N ZINC000191136831 375583690 /nfs/dbraw/zinc/58/36/90/375583690.db2.gz WJIKYRZRMUPXMQ-UHFFFAOYSA-N 0 3 272.392 3.122 20 30 CGEDHN C=CCC[C@H](C)N[C@H](CO)c1cccc(Cl)c1F ZINC000499939747 375632998 /nfs/dbraw/zinc/63/29/98/375632998.db2.gz NTYFVSNKDZLQNK-GXFFZTMASA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCC[C@@H](NCc1csc(N(C)C)n1)C1CC1 ZINC000121509278 542019687 /nfs/dbraw/zinc/01/96/87/542019687.db2.gz SCYSKLDPYDDZQB-CYBMUJFWSA-N 0 3 265.426 3.044 20 30 CGEDHN C=C(C)CCN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000509344522 375778694 /nfs/dbraw/zinc/77/86/94/375778694.db2.gz UGJKPSAIBZHCQC-UHFFFAOYSA-N 0 3 287.403 3.159 20 30 CGEDHN C[C@@H]1N(Cc2ccc(C#N)c(F)c2)CCC12CCOCC2 ZINC000336620823 375882956 /nfs/dbraw/zinc/88/29/56/375882956.db2.gz TVWSAUHSDWIQMT-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN C=CCCCCCN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000193518213 375890209 /nfs/dbraw/zinc/89/02/09/375890209.db2.gz GWWMUOVQKJUNPN-VQIMIIECSA-N 0 3 279.449 3.442 20 30 CGEDHN C=CCN1CC[C@H](N(C)C2CCC(C(C)(C)C)CC2)C1=O ZINC000337139817 376094310 /nfs/dbraw/zinc/09/43/10/376094310.db2.gz QLZZQKYCVHJACE-GPANFISMSA-N 0 3 292.467 3.310 20 30 CGEDHN CC[C@@H](C)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000337447894 376222501 /nfs/dbraw/zinc/22/25/01/376222501.db2.gz DAJULFWYWLIUKC-CJNGLKHVSA-N 0 3 291.826 3.321 20 30 CGEDHN Cc1c(C#N)cccc1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000338152883 376270321 /nfs/dbraw/zinc/27/03/21/376270321.db2.gz NDTFIASNWNYDMO-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C=CC[N@@H+](Cc1ccc([O-])c2nc(C)ccc12)C1CC1 ZINC000338282532 376312342 /nfs/dbraw/zinc/31/23/42/376312342.db2.gz GMXQDSNVANALMI-UHFFFAOYSA-N 0 3 268.360 3.399 20 30 CGEDHN C=CC[N@H+](Cc1ccc([O-])c2nc(C)ccc12)C1CC1 ZINC000338282532 376312346 /nfs/dbraw/zinc/31/23/46/376312346.db2.gz GMXQDSNVANALMI-UHFFFAOYSA-N 0 3 268.360 3.399 20 30 CGEDHN Cn1cc(CN2C3CCC2CC3)c(-c2ccc(C#N)cc2)n1 ZINC000539815169 376333046 /nfs/dbraw/zinc/33/30/46/376333046.db2.gz FRGIUZLGVARGLL-UHFFFAOYSA-N 0 3 292.386 3.086 20 30 CGEDHN C[C@H](N[C@@H](CO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000540976561 376411015 /nfs/dbraw/zinc/41/10/15/376411015.db2.gz NXOFMQKUAOIPEE-SJCJKPOMSA-N 0 3 290.382 3.289 20 30 CGEDHN C=CCOc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000540995350 376412589 /nfs/dbraw/zinc/41/25/89/376412589.db2.gz MAGZQHDGWUBHIC-UHFFFAOYSA-N 0 3 270.376 3.377 20 30 CGEDHN C=CCOc1ccccc1CNCC1(SC)CC1 ZINC000227949141 376419208 /nfs/dbraw/zinc/41/92/08/376419208.db2.gz GXIPDULJWXEVEL-UHFFFAOYSA-N 0 3 263.406 3.237 20 30 CGEDHN Cc1cc(Cl)c2ncc(C#N)c(NCCN(C)C)c2c1 ZINC000338398909 376363177 /nfs/dbraw/zinc/36/31/77/376363177.db2.gz MJIHIZWZEJWEJY-UHFFFAOYSA-N 0 3 288.782 3.042 20 30 CGEDHN CCCCNC(=O)C1(NCCC(C)(C)C#N)CCCCC1 ZINC000540668030 376389362 /nfs/dbraw/zinc/38/93/62/376389362.db2.gz QAKJJENDLUDVAI-UHFFFAOYSA-N 0 3 293.455 3.135 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000229315972 376463029 /nfs/dbraw/zinc/46/30/29/376463029.db2.gz FAMMCQHKHSKBKL-KRWDZBQOSA-N 0 3 284.403 3.482 20 30 CGEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2Cl)C1(C)C ZINC000234829955 376621038 /nfs/dbraw/zinc/62/10/38/376621038.db2.gz OIFJLNZNIJMHCW-UONOGXRCSA-N 0 3 278.783 3.115 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2)CC1 ZINC000264402511 190107332 /nfs/dbraw/zinc/10/73/32/190107332.db2.gz QOYGCKAHFHWSKB-UHFFFAOYSA-N 0 3 287.407 3.157 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)[nH]1)CC1CCCCC1 ZINC000543783266 376677380 /nfs/dbraw/zinc/67/73/80/376677380.db2.gz XUGBXDGWTUWATE-UHFFFAOYSA-N 0 3 290.407 3.370 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNCc1ccc(C)o1)C(C)C ZINC000236678524 376680351 /nfs/dbraw/zinc/68/03/51/376680351.db2.gz KBQWBFBNKDHPQX-KRWDZBQOSA-N 0 3 276.424 3.376 20 30 CGEDHN CCOc1cccc(CNCCCCC#N)c1OC(F)F ZINC000236882524 376707747 /nfs/dbraw/zinc/70/77/47/376707747.db2.gz CHQYOYKUMJIPJJ-UHFFFAOYSA-N 0 3 298.333 3.470 20 30 CGEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(C)C#N ZINC000339568896 376762282 /nfs/dbraw/zinc/76/22/82/376762282.db2.gz MWWSDKMUSDVQPX-MWLCHTKSSA-N 0 3 279.409 3.254 20 30 CGEDHN C=CCCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000339381003 376749424 /nfs/dbraw/zinc/74/94/24/376749424.db2.gz VMFPJPOTHJPYFU-UHFFFAOYSA-N 0 3 294.826 3.232 20 30 CGEDHN N#Cc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000340101821 376916278 /nfs/dbraw/zinc/91/62/78/376916278.db2.gz BJRYIKNJOHHKKO-QGZVFWFLSA-N 0 3 263.344 3.194 20 30 CGEDHN N#Cc1csc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340110016 376921742 /nfs/dbraw/zinc/92/17/42/376921742.db2.gz WEZYZWRMWGKLOH-HNNXBMFYSA-N 0 3 269.373 3.256 20 30 CGEDHN CC(C)(C)CCN1CCN(Cc2ccccc2C#N)CC1 ZINC000340407227 377042015 /nfs/dbraw/zinc/04/20/15/377042015.db2.gz RXAWMTOMNMWFIR-UHFFFAOYSA-N 0 3 285.435 3.112 20 30 CGEDHN CCCC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000558244257 376988324 /nfs/dbraw/zinc/98/83/24/376988324.db2.gz SIWNCGSEOUVLQR-ZBFHGGJFSA-N 0 3 257.381 3.402 20 30 CGEDHN C=C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000248028262 377258775 /nfs/dbraw/zinc/25/87/75/377258775.db2.gz JVEDOSVZSSKMCT-JQHSSLGASA-N 0 3 298.430 3.041 20 30 CGEDHN COC1CCC(N(C)Cc2cccc(C#N)c2F)CC1 ZINC000340910303 377317208 /nfs/dbraw/zinc/31/72/08/377317208.db2.gz MLSBUBKJYQRNJO-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248144886 377271875 /nfs/dbraw/zinc/27/18/75/377271875.db2.gz ZHVFXBQKYCKMTK-GDBMZVCRSA-N 0 3 295.810 3.120 20 30 CGEDHN CC#CCCN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000248398477 377308363 /nfs/dbraw/zinc/30/83/63/377308363.db2.gz UEXGGQHSDJLMJF-UONOGXRCSA-N 0 3 263.406 3.049 20 30 CGEDHN CO[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000248938166 377432723 /nfs/dbraw/zinc/43/27/23/377432723.db2.gz YNQWOLUKTUPRFG-DAXOMENPSA-N 0 3 276.355 3.185 20 30 CGEDHN C[C@@]1(CNC[C@H](C#N)CCC#N)C[C@H]1c1ccccc1 ZINC000568858182 377523972 /nfs/dbraw/zinc/52/39/72/377523972.db2.gz RHXDQPJJNXNRRL-XIRDDKMYSA-N 0 3 267.376 3.213 20 30 CGEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)c1cccs1 ZINC000093492108 249037546 /nfs/dbraw/zinc/03/75/46/249037546.db2.gz GOHLSMZESIULPS-CYBMUJFWSA-N 0 3 291.445 3.074 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000569142585 377526943 /nfs/dbraw/zinc/52/69/43/377526943.db2.gz AXXXQCMHZFZDLE-CKEIUWERSA-N 0 3 292.423 3.427 20 30 CGEDHN C[C@H]1CN(CCCCC(C)(C)C#N)CC2(CCC2)O1 ZINC000570448844 377536987 /nfs/dbraw/zinc/53/69/87/377536987.db2.gz VDCSOQDULDAMCG-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)C(C)(C)C ZINC000572623091 377549277 /nfs/dbraw/zinc/54/92/77/377549277.db2.gz ODFCTGRWTQHBRI-INIZCTEOSA-N 0 3 277.408 3.090 20 30 CGEDHN CN1CCN(CCCC(C)(C)C#N)CC12CCCCC2 ZINC000573106203 377555123 /nfs/dbraw/zinc/55/51/23/377555123.db2.gz RFPYPWIFAXYGSG-UHFFFAOYSA-N 0 3 277.456 3.267 20 30 CGEDHN N#Cc1cccc(CCNCc2cc(F)ccc2F)c1 ZINC000341447578 377569395 /nfs/dbraw/zinc/56/93/95/377569395.db2.gz AOUPLDUBFHHYSP-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN C=CCCCN1CCC(c2noc(C(C)C)n2)CC1 ZINC000265455385 190183280 /nfs/dbraw/zinc/18/32/80/190183280.db2.gz LSIZZIXTNJYSNP-UHFFFAOYSA-N 0 3 263.385 3.339 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1ccc(F)cc1)CC2 ZINC000517204947 249260018 /nfs/dbraw/zinc/26/00/18/249260018.db2.gz IVQPFJIPLKWETN-SFHVURJKSA-N 0 3 296.345 3.353 20 30 CGEDHN N#Cc1cccc(NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000265591834 190192251 /nfs/dbraw/zinc/19/22/51/190192251.db2.gz YCTOSBFOSZXPSO-QGZVFWFLSA-N 0 3 292.386 3.202 20 30 CGEDHN Cc1nsc(N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000341836942 377620305 /nfs/dbraw/zinc/62/03/05/377620305.db2.gz AADJPQGSFYUMKF-SDDRHHMPSA-N 0 3 292.452 3.102 20 30 CGEDHN C[C@H](N[C@H]1CCC1(C)C)C(=O)N(CCC#N)c1ccccc1 ZINC000574183551 377629785 /nfs/dbraw/zinc/62/97/85/377629785.db2.gz MZDSPZSMJWUJPY-HOCLYGCPSA-N 0 3 299.418 3.100 20 30 CGEDHN N#CCCCOc1cccc(CN[C@@H]2C[C@@H]2C(F)F)c1 ZINC000342214986 377633577 /nfs/dbraw/zinc/63/35/77/377633577.db2.gz OWLXCAIINQGUIR-UONOGXRCSA-N 0 3 280.318 3.112 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2C[C@H]2C(F)F)cc1OC ZINC000342227097 377636156 /nfs/dbraw/zinc/63/61/56/377636156.db2.gz XUBOBUNAYCWDAV-NEPJUHHUSA-N 0 3 283.318 3.003 20 30 CGEDHN C=CCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000265794826 190207589 /nfs/dbraw/zinc/20/75/89/190207589.db2.gz MZLYMTXLFDEYNS-UHFFFAOYSA-N 0 3 279.330 3.436 20 30 CGEDHN COc1ccc(CN2C[C@H](C)C[C@H](C)[C@H]2C)cc1C#N ZINC000253100027 377676128 /nfs/dbraw/zinc/67/61/28/377676128.db2.gz PPQCRXBZWANKEN-HZSPNIEDSA-N 0 3 272.392 3.433 20 30 CGEDHN CC(C)n1cc([C@H](C)NCCc2cccc(C#N)c2)cn1 ZINC000343588376 378030756 /nfs/dbraw/zinc/03/07/56/378030756.db2.gz DYDUULJUQGAZRJ-AWEZNQCLSA-N 0 3 282.391 3.229 20 30 CGEDHN COc1ccc(CN2CC(C)(C)[C@H]2C(C)C)cc1C#N ZINC000578177871 378043667 /nfs/dbraw/zinc/04/36/67/378043667.db2.gz ODKQVXLWKOZZQC-MRXNPFEDSA-N 0 3 272.392 3.433 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC(=O)Nc3ccccc32)s1 ZINC000578185093 378043979 /nfs/dbraw/zinc/04/39/79/378043979.db2.gz RWNWQYQBMJZTSS-CQSZACIVSA-N 0 3 297.383 3.183 20 30 CGEDHN CCO[C@H]1C[C@H](NCC#Cc2ccccc2)C12CCCC2 ZINC000578281782 378053615 /nfs/dbraw/zinc/05/36/15/378053615.db2.gz HLAZAZSVSKPRIM-ROUUACIJSA-N 0 3 283.415 3.366 20 30 CGEDHN C=CCC[C@@H](O)CN(CCOC)[C@@H](C)c1ccccc1 ZINC000268532188 378071036 /nfs/dbraw/zinc/07/10/36/378071036.db2.gz IVCUJUCAQOSDJT-DOTOQJQBSA-N 0 3 277.408 3.023 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H](O)C(C)(C)C ZINC000343974445 378148809 /nfs/dbraw/zinc/14/88/09/378148809.db2.gz QYDBIRJLFBRRCR-ZDUSSCGKSA-N 0 3 253.411 3.143 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](CCO)c2ccccc2)cc1 ZINC000344435375 378171169 /nfs/dbraw/zinc/17/11/69/378171169.db2.gz DRNQGGBXXPHFLR-IBGZPJMESA-N 0 3 297.398 3.465 20 30 CGEDHN N#CCCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000269867966 378275775 /nfs/dbraw/zinc/27/57/75/378275775.db2.gz UATWYFHWRDPLII-CYBMUJFWSA-N 0 3 250.292 3.236 20 30 CGEDHN Clc1cccc(C#CCN2CCC(c3ncc[nH]3)CC2)c1 ZINC000269577697 378238210 /nfs/dbraw/zinc/23/82/10/378238210.db2.gz DDOZIRJJGHMEKG-UHFFFAOYSA-N 0 3 299.805 3.294 20 30 CGEDHN CC#CCCCC(=O)N(CCC)CCN1CCCCCC1 ZINC000580375414 378246475 /nfs/dbraw/zinc/24/64/75/378246475.db2.gz CMRFKJGYKNAOGO-UHFFFAOYSA-N 0 3 292.467 3.295 20 30 CGEDHN N#CCc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000269642201 378247333 /nfs/dbraw/zinc/24/73/33/378247333.db2.gz SHUGXHGDXOLQSE-KRWDZBQOSA-N 0 3 297.402 3.098 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000583935150 378359264 /nfs/dbraw/zinc/35/92/64/378359264.db2.gz RWJQEISCQWNIAG-ROUUACIJSA-N 0 3 297.446 3.465 20 30 CGEDHN CC(C)C[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584472948 378386900 /nfs/dbraw/zinc/38/69/00/378386900.db2.gz LCSSONJSKWLPIP-HNNXBMFYSA-N 0 3 287.363 3.477 20 30 CGEDHN C#CCCCN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000271058479 378443354 /nfs/dbraw/zinc/44/33/54/378443354.db2.gz RVSMZPLJUFFSSX-UHFFFAOYSA-N 0 3 283.318 3.142 20 30 CGEDHN CSC[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271933618 378523099 /nfs/dbraw/zinc/52/30/99/378523099.db2.gz JHCFXWLMWVJFDA-NXEZZACHSA-N 0 3 252.358 3.099 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000271787990 378504277 /nfs/dbraw/zinc/50/42/77/378504277.db2.gz WFYVVHXAAFDCCB-VNQPRFMTSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@@H](NC[C@@](C)(O)c1ccsc1)c1cccc(C#N)c1 ZINC000271911555 378514323 /nfs/dbraw/zinc/51/43/23/378514323.db2.gz YAVAIAQITGDWBX-MLGOLLRUSA-N 0 3 286.400 3.178 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000271987825 378537614 /nfs/dbraw/zinc/53/76/14/378537614.db2.gz YKQYNMRVHRSGIZ-IAQYHMDHSA-N 0 3 264.344 3.019 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccc(F)cc1 ZINC000272287994 378605858 /nfs/dbraw/zinc/60/58/58/378605858.db2.gz NUIHRHIJPUAMKN-KRWDZBQOSA-N 0 3 289.350 3.183 20 30 CGEDHN C=CCOc1cccc(CN2CCC(C)(OC)CC2)c1 ZINC000272323047 378611585 /nfs/dbraw/zinc/61/15/85/378611585.db2.gz BJBOMUXRVPVYBC-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C(C)C#N)cc1 ZINC000346666556 378667897 /nfs/dbraw/zinc/66/78/97/378667897.db2.gz YMEPMHMDMJMLJP-FMKPAKJESA-N 0 3 270.376 3.454 20 30 CGEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)NC1(C#N)CCC1 ZINC000346868811 378694954 /nfs/dbraw/zinc/69/49/54/378694954.db2.gz IEYKZDAREWVYQW-MRXNPFEDSA-N 0 3 299.418 3.022 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)CN2CCCCC2)c1 ZINC000273194059 378737444 /nfs/dbraw/zinc/73/74/44/378737444.db2.gz JRLZVDRZJVVERE-CYBMUJFWSA-N 0 3 285.391 3.047 20 30 CGEDHN C=CCOCCCN(C)[C@H]1CCCc2nc(C)sc21 ZINC000348041994 378763001 /nfs/dbraw/zinc/76/30/01/378763001.db2.gz FMAPRVCBXXXTIJ-AWEZNQCLSA-N 0 3 280.437 3.353 20 30 CGEDHN C=CC(C)(C)CCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000638453881 378808493 /nfs/dbraw/zinc/80/84/93/378808493.db2.gz BKAHWULYOPEIGA-DZGCQCFKSA-N 0 3 274.408 3.041 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)c1cccc2c1CNC2 ZINC000638865492 378939631 /nfs/dbraw/zinc/93/96/31/378939631.db2.gz ICMOZBGAWQKOTK-UHFFFAOYSA-N 0 3 272.392 3.012 20 30 CGEDHN C=CCOCCCN(C)Cc1ccccc1SC ZINC000348327700 378911263 /nfs/dbraw/zinc/91/12/63/378911263.db2.gz JSQTWHWNPGPWMW-UHFFFAOYSA-N 0 3 265.422 3.433 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348417826 378948937 /nfs/dbraw/zinc/94/89/37/378948937.db2.gz FRQZYLJFZDGXQK-RHSMWYFYSA-N 0 3 295.386 3.102 20 30 CGEDHN Cn1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000276740503 378989593 /nfs/dbraw/zinc/98/95/93/378989593.db2.gz IWVLQZQOCRTZQW-OAHLLOKOSA-N 0 3 283.350 3.025 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)c(F)c1 ZINC000370722453 379060222 /nfs/dbraw/zinc/06/02/22/379060222.db2.gz SIIIBXZSTTVNFM-INIZCTEOSA-N 0 3 295.361 3.157 20 30 CGEDHN CCCCOCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000348987093 379130073 /nfs/dbraw/zinc/13/00/73/379130073.db2.gz DMTNEYJSQYFOKZ-UHFFFAOYSA-N 0 3 272.392 3.339 20 30 CGEDHN C=CC[C@H]1N(Cc2ccc(CO)o2)CCCC1(C)C ZINC000278748138 194135486 /nfs/dbraw/zinc/13/54/86/194135486.db2.gz RWCJKJGNKJVDDV-OAHLLOKOSA-N 0 3 263.381 3.339 20 30 CGEDHN CC[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000278771011 194148233 /nfs/dbraw/zinc/14/82/33/194148233.db2.gz PDXDJFSPRAFPRD-ZWKOTPCHSA-N 0 3 298.361 3.472 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H]2CCOC2)CC1 ZINC000371755256 379175365 /nfs/dbraw/zinc/17/53/65/379175365.db2.gz XLWBSRUMVHAYAK-KSSFIOAISA-N 0 3 284.403 3.368 20 30 CGEDHN CC[C@H](NCc1ccc(CO)c(F)c1)c1ccc(C#N)cc1 ZINC000278216005 379319377 /nfs/dbraw/zinc/31/93/77/379319377.db2.gz IKDCXQVZLPFWAT-SFHVURJKSA-N 0 3 298.361 3.431 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000349775155 379378903 /nfs/dbraw/zinc/37/89/03/379378903.db2.gz KBILVQKPMXAXKA-XJKSGUPXSA-N 0 3 263.381 3.203 20 30 CGEDHN CCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349797427 379386571 /nfs/dbraw/zinc/38/65/71/379386571.db2.gz CBAQTVCZIHSZDA-HIFRSBDPSA-N 0 3 288.391 3.266 20 30 CGEDHN C=CCN(CCCSCCOC)CCc1ccco1 ZINC000278942433 194222667 /nfs/dbraw/zinc/22/26/67/194222667.db2.gz XSOUBHCDXYTVGU-UHFFFAOYSA-N 0 3 283.437 3.080 20 30 CGEDHN C=CC[C@H](CO)N[C@H](CC)c1cc(Cl)ccc1OC ZINC000349758905 379369638 /nfs/dbraw/zinc/36/96/38/379369638.db2.gz OATRGMBLORAURZ-TZMCWYRMSA-N 0 3 283.799 3.326 20 30 CGEDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000279462331 379440243 /nfs/dbraw/zinc/44/02/43/379440243.db2.gz JFORUNJUVNTCBO-HFBAOOFYSA-N 0 3 276.355 3.306 20 30 CGEDHN C=C(C)CN(CCn1ccnc1C)Cc1ccccc1 ZINC000279372086 379419123 /nfs/dbraw/zinc/41/91/23/379419123.db2.gz RXRRNUQXKKACGU-UHFFFAOYSA-N 0 3 269.392 3.270 20 30 CGEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000349856788 379424901 /nfs/dbraw/zinc/42/49/01/379424901.db2.gz SKNWCVKYMMAYLN-ZYHUDNBSSA-N 0 3 264.756 3.130 20 30 CGEDHN N#Cc1cc(CN[C@@H]2CCc3ccccc3OC2)ccc1F ZINC000374625532 379471797 /nfs/dbraw/zinc/47/17/97/379471797.db2.gz KJPMTPVTEXRLQB-MRXNPFEDSA-N 0 3 296.345 3.181 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1sccc1Cl ZINC000280604267 379744993 /nfs/dbraw/zinc/74/49/93/379744993.db2.gz JOARUELUGFWGET-ZWNOBZJWSA-N 0 3 271.813 3.472 20 30 CGEDHN C=C(C)CN(CC)CCC(=O)c1ccc(OC)cc1 ZINC000351864067 379746408 /nfs/dbraw/zinc/74/64/08/379746408.db2.gz RREWAHZXBLARJP-UHFFFAOYSA-N 0 3 261.365 3.166 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000280819156 379799823 /nfs/dbraw/zinc/79/98/23/379799823.db2.gz NEFYIVKFEYURIF-LXZKKBNFSA-N 0 3 275.392 3.414 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(OC)cc1F ZINC000280779143 379787570 /nfs/dbraw/zinc/78/75/70/379787570.db2.gz IBPBFQMDEJLCNM-AHIWAGSCSA-N 0 3 293.382 3.466 20 30 CGEDHN CC1(C)CN(CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000378831689 379857969 /nfs/dbraw/zinc/85/79/69/379857969.db2.gz KHVKNCBTCWDFFT-HOTGVXAUSA-N 0 3 297.402 3.007 20 30 CGEDHN N#CCc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000352448277 379818212 /nfs/dbraw/zinc/81/82/12/379818212.db2.gz QVBZBLYCJFOTCI-ROUUACIJSA-N 0 3 296.414 3.286 20 30 CGEDHN CC(C)(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352838624 379994662 /nfs/dbraw/zinc/99/46/62/379994662.db2.gz GGBCOFXMWRPBTF-UHFFFAOYSA-N 0 3 271.389 3.082 20 30 CGEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(SC)cc1 ZINC000411152673 380131984 /nfs/dbraw/zinc/13/19/84/380131984.db2.gz HHCJQADXFBFLIT-AWEZNQCLSA-N 0 3 295.448 3.046 20 30 CGEDHN C=CCN(CCc1cncs1)Cc1ccc(OC)cc1 ZINC000411177334 380132383 /nfs/dbraw/zinc/13/23/83/380132383.db2.gz JBAJUVARWKIBAB-UHFFFAOYSA-N 0 3 288.416 3.382 20 30 CGEDHN COc1ccc(OC)c([C@@H](C)NCC(C)(C)CC#N)c1 ZINC000414158537 380193783 /nfs/dbraw/zinc/19/37/83/380193783.db2.gz AHJSQUCBKZGDCP-GFCCVEGCSA-N 0 3 276.380 3.294 20 30 CGEDHN COc1ccc([C@H](C)NCC(C)(C)CC#N)cc1OC ZINC000414170389 380197551 /nfs/dbraw/zinc/19/75/51/380197551.db2.gz SUIAYKQRGHVESY-LBPRGKRZSA-N 0 3 276.380 3.294 20 30 CGEDHN C=C(CC)CNCc1cn(-c2cccc(F)c2)nc1C ZINC000414464720 380247878 /nfs/dbraw/zinc/24/78/78/380247878.db2.gz UUVJPNVRZGIVMD-UHFFFAOYSA-N 0 3 273.355 3.376 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1nccn1C ZINC000414310628 380212532 /nfs/dbraw/zinc/21/25/32/380212532.db2.gz WPXQEYGGHZOHGF-GOEBONIOSA-N 0 3 269.392 3.258 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(Cl)cc1OC ZINC000643348475 380291292 /nfs/dbraw/zinc/29/12/92/380291292.db2.gz WXEJZXFQNWOUOP-NSHDSACASA-N 0 3 269.772 3.202 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)Nc1ccccc1CNC ZINC000415924231 380516072 /nfs/dbraw/zinc/51/60/72/380516072.db2.gz RAAGKIGXEYOBPT-ZDUSSCGKSA-N 0 3 275.396 3.272 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@]3(CCSC3)C2)s1 ZINC000334746371 207005815 /nfs/dbraw/zinc/00/58/15/207005815.db2.gz GXJTYWYXGNMWRG-AWEZNQCLSA-N 0 3 278.446 3.339 20 30 CGEDHN CC(C)C[C@@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000355758894 380769838 /nfs/dbraw/zinc/76/98/38/380769838.db2.gz MZIVRUWXCVYFNH-MRXNPFEDSA-N 0 3 285.435 3.110 20 30 CGEDHN N#Cc1csc(CNCCc2cc(F)c(F)c(F)c2)c1 ZINC000355776562 380774205 /nfs/dbraw/zinc/77/42/05/380774205.db2.gz RHGOEMWIEGVMQI-UHFFFAOYSA-N 0 3 296.317 3.369 20 30 CGEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCC(C)(C)C#N)C1 ZINC000421024311 380871308 /nfs/dbraw/zinc/87/13/08/380871308.db2.gz PXKPZXWMUVYVBQ-KGLIPLIRSA-N 0 3 294.439 3.226 20 30 CGEDHN CC(C)[C@H]1C[C@@H](NCc2ccc(C#N)s2)CS1 ZINC000421348411 380887873 /nfs/dbraw/zinc/88/78/73/380887873.db2.gz FXCIQTOHIMNMGH-ZWNOBZJWSA-N 0 3 266.435 3.239 20 30 CGEDHN C[C@H](Nc1cc(C#N)ccn1)[C@H](c1ccccc1)N(C)C ZINC000357682994 381249034 /nfs/dbraw/zinc/24/90/34/381249034.db2.gz GANHFVIPXPNWLD-SUMWQHHRSA-N 0 3 280.375 3.057 20 30 CGEDHN CN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000361470535 381760434 /nfs/dbraw/zinc/76/04/34/381760434.db2.gz UEUOXCAHFQOPDD-HNNXBMFYSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@@H](CO)N(Cc1ccc(Cl)cc1C#N)CC1CCC1 ZINC000361493170 381773539 /nfs/dbraw/zinc/77/35/39/381773539.db2.gz QGBHCLBBLVAGOB-LBPRGKRZSA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1ccc(F)cc1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000335377128 208313016 /nfs/dbraw/zinc/31/30/16/208313016.db2.gz AHRYZEICLOHFSO-YOEHRIQHSA-N 0 3 288.366 3.088 20 30 CGEDHN CCN(CC)[C@H](CNc1cc(C#N)ccn1)c1ccco1 ZINC000288519610 197101385 /nfs/dbraw/zinc/10/13/85/197101385.db2.gz REWVUNCZGROBBE-CQSZACIVSA-N 0 3 284.363 3.041 20 30 CGEDHN C[C@@H]1[C@@H](Nc2ncccc2C#N)CCN1Cc1ccccc1 ZINC000288289383 197043960 /nfs/dbraw/zinc/04/39/60/197043960.db2.gz RUKMAJYNBUNOPI-PBHICJAKSA-N 0 3 292.386 3.028 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000308645176 542423414 /nfs/dbraw/zinc/42/34/14/542423414.db2.gz HCYLSPXNRRCQFZ-BDAKNGLRSA-N 0 3 255.159 3.069 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000308645179 542424180 /nfs/dbraw/zinc/42/41/80/542424180.db2.gz HCYLSPXNRRCQFZ-RKDXNWHRSA-N 0 3 255.159 3.069 20 30 CGEDHN CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCCO1 ZINC000281455667 195246650 /nfs/dbraw/zinc/24/66/50/195246650.db2.gz QVLWVKFIYFCBER-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN CCCCNC(=O)OC[C@@H]1CCCCN1CCCCC#N ZINC000496284198 262341813 /nfs/dbraw/zinc/34/18/13/262341813.db2.gz OGVKGOXKKCQAQB-HNNXBMFYSA-N 0 3 295.427 3.061 20 30 CGEDHN C#CCCOc1ccc(CN2CC[C@H](OC)C[C@@H]2C)cc1 ZINC000282178873 392284820 /nfs/dbraw/zinc/28/48/20/392284820.db2.gz FNDDVLUSZYUAIA-YJBOKZPZSA-N 0 3 287.403 3.088 20 30 CGEDHN C=CCCOCCN[C@@H](CCCOC)c1ccc(F)cc1 ZINC000282439558 392291280 /nfs/dbraw/zinc/29/12/80/392291280.db2.gz ULQZGQUFHIUGKY-KRWDZBQOSA-N 0 3 295.398 3.476 20 30 CGEDHN C=C1CCN(Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282852758 392296885 /nfs/dbraw/zinc/29/68/85/392296885.db2.gz SYGRZKXBZAWBMW-UHFFFAOYSA-N 0 3 273.405 3.301 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2CCCc3nn(C)cc32)c1 ZINC000283062799 392298381 /nfs/dbraw/zinc/29/83/81/392298381.db2.gz UDWOEWNXUGDEJT-QGZVFWFLSA-N 0 3 297.402 3.152 20 30 CGEDHN C[C@@H]1CSC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000285938584 392352325 /nfs/dbraw/zinc/35/23/25/392352325.db2.gz MAWPOWJMEYLEKX-RISCZKNCSA-N 0 3 299.361 3.398 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCSc2c(F)cccc21 ZINC000453352759 542682277 /nfs/dbraw/zinc/68/22/77/542682277.db2.gz KBEJDTRMXXXHGM-MCIONIFRSA-N 0 3 279.380 3.296 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000289313666 392420998 /nfs/dbraw/zinc/42/09/98/392420998.db2.gz SIHLUQOTHCDXPT-AWEZNQCLSA-N 0 3 293.366 3.290 20 30 CGEDHN C=CCC[C@@H](NCCc1nnc(C)s1)c1ccco1 ZINC000289602709 392426816 /nfs/dbraw/zinc/42/68/16/392426816.db2.gz CQOSLEHALHRGOK-GFCCVEGCSA-N 0 3 277.393 3.279 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000289892896 392436002 /nfs/dbraw/zinc/43/60/02/392436002.db2.gz SQPQKUACFCWNGF-CRAIPNDOSA-N 0 3 297.398 3.463 20 30 CGEDHN C#Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000290087135 392439926 /nfs/dbraw/zinc/43/99/26/392439926.db2.gz MLUUTGOIZRLNON-GOSISDBHSA-N 0 3 294.398 3.188 20 30 CGEDHN N#CCCCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120395482 392399993 /nfs/dbraw/zinc/39/99/93/392399993.db2.gz PVPIYENVSDMRDV-AWEZNQCLSA-N 0 3 264.756 3.097 20 30 CGEDHN C#CCCN1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000301897992 392600446 /nfs/dbraw/zinc/60/04/46/392600446.db2.gz RRUMECQGYYBUJW-UHFFFAOYSA-N 0 3 299.805 3.034 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccccc1OCC ZINC000320422893 392670690 /nfs/dbraw/zinc/67/06/90/392670690.db2.gz SXEHDAAQIVSELH-KGLIPLIRSA-N 0 3 263.381 3.063 20 30 CGEDHN COc1ccc(F)cc1[C@@H](C)NCCCCC#N ZINC000178645888 392683745 /nfs/dbraw/zinc/68/37/45/392683745.db2.gz NOXVQTZLOHLTJE-LLVKDONJSA-N 0 3 250.317 3.179 20 30 CGEDHN N#CCCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000172672192 392621749 /nfs/dbraw/zinc/62/17/49/392621749.db2.gz ZLPQTZZTZKUWEJ-UHFFFAOYSA-N 0 3 267.716 3.032 20 30 CGEDHN COC(=O)c1ccc(CN(C)CCCC(C)(C)C#N)cc1 ZINC000174818189 392645797 /nfs/dbraw/zinc/64/57/97/392645797.db2.gz RRBGJJYCRASHGH-UHFFFAOYSA-N 0 3 288.391 3.235 20 30 CGEDHN C=C(C)COCCN[C@H](CC(C)C)c1ccncc1 ZINC000647294095 392646978 /nfs/dbraw/zinc/64/69/78/392646978.db2.gz NQUQERLBBJEIGZ-MRXNPFEDSA-N 0 3 262.397 3.351 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)COc1cccc2ccccc21 ZINC000181246800 392724109 /nfs/dbraw/zinc/72/41/09/392724109.db2.gz JORCDMVUZXDCJL-INIZCTEOSA-N 0 3 285.387 3.087 20 30 CGEDHN C[C@H](N[C@H]1COc2ccccc2C1)c1cccc(C#N)c1 ZINC000181622272 392735856 /nfs/dbraw/zinc/73/58/56/392735856.db2.gz QJUFOODMKTXFJI-SUMWQHHRSA-N 0 3 278.355 3.213 20 30 CGEDHN Cn1cc(CN[C@@]2(C)CCCc3ccccc32)cc1C#N ZINC000334571888 392739926 /nfs/dbraw/zinc/73/99/26/392739926.db2.gz SRXJXCRAKRLRNQ-SFHVURJKSA-N 0 3 279.387 3.238 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000183355714 392757166 /nfs/dbraw/zinc/75/71/66/392757166.db2.gz GTWRTTSFNKTIGK-GOSISDBHSA-N 0 3 296.345 3.351 20 30 CGEDHN CC(C#N)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000334313566 392718784 /nfs/dbraw/zinc/71/87/84/392718784.db2.gz NRBGHQQUXGAXLA-HIFRSBDPSA-N 0 3 256.349 3.290 20 30 CGEDHN C[C@@H](O)CN(CC#Cc1ccccc1)C1CCCCC1 ZINC000191996893 392836827 /nfs/dbraw/zinc/83/68/27/392836827.db2.gz ZGTOOCNETFFOIF-MRXNPFEDSA-N 0 3 271.404 3.054 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@H]2CO)cc1Cl ZINC000191185209 392825085 /nfs/dbraw/zinc/82/50/85/392825085.db2.gz CRFOQHCLIXQGPB-IUODEOHRSA-N 0 3 295.810 3.108 20 30 CGEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000514317435 392856040 /nfs/dbraw/zinc/85/60/40/392856040.db2.gz NRDTWISNVBOXNZ-GOSISDBHSA-N 0 3 299.414 3.478 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccs1)C(=O)Nc1cccc(C#N)c1 ZINC000192677104 392857463 /nfs/dbraw/zinc/85/74/63/392857463.db2.gz NVLHQBRHSTUWHS-NWDGAFQWSA-N 0 3 299.399 3.298 20 30 CGEDHN CCOc1ccc([C@@H]2CCCN2CCOCCC#N)cc1 ZINC000338885150 392933673 /nfs/dbraw/zinc/93/36/73/392933673.db2.gz XLUUFFPDCOYMSY-KRWDZBQOSA-N 0 3 288.391 3.152 20 30 CGEDHN CO[C@@H]1CN(CCC2(C#N)CCCCC2)CC[C@@H]1C ZINC000411613990 392982222 /nfs/dbraw/zinc/98/22/22/392982222.db2.gz QMPMEPQYXNXOCK-LSDHHAIUSA-N 0 3 264.413 3.207 20 30 CGEDHN CO[C@](C)([C@H](C)NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000411951164 392990628 /nfs/dbraw/zinc/99/06/28/392990628.db2.gz PRZKAQDJXMSOGE-SUMWQHHRSA-N 0 3 291.822 3.485 20 30 CGEDHN C=CCCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986299 392992785 /nfs/dbraw/zinc/99/27/85/392992785.db2.gz ORTRTTQYTWWALN-QGZVFWFLSA-N 0 3 271.360 3.063 20 30 CGEDHN COC1([C@@H](C)NCC#Cc2ccccc2Cl)CCC1 ZINC000412025046 392994334 /nfs/dbraw/zinc/99/43/34/392994334.db2.gz OXDMBILCYBXTTB-CYBMUJFWSA-N 0 3 277.795 3.239 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000412687927 393006581 /nfs/dbraw/zinc/00/65/81/393006581.db2.gz GKRRMNQBWINQBF-UGQVUOCMSA-N 0 3 270.376 3.235 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000345665965 393061461 /nfs/dbraw/zinc/06/14/61/393061461.db2.gz PKTCDBVUZFKDHF-IUCAKERBSA-N 0 3 270.254 3.042 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000345665963 393062148 /nfs/dbraw/zinc/06/21/48/393062148.db2.gz PKTCDBVUZFKDHF-DTWKUNHWSA-N 0 3 270.254 3.042 20 30 CGEDHN Fc1ccc(C#CCN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000279269251 393333059 /nfs/dbraw/zinc/33/30/59/393333059.db2.gz NDPKTLCNDYVRBK-KZNAEPCWSA-N 0 3 299.389 3.115 20 30 CGEDHN COC1CC(N(C)Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356351170 393425188 /nfs/dbraw/zinc/42/51/88/393425188.db2.gz YBZUJUCZFWJIIR-UHFFFAOYSA-N 0 3 298.308 3.186 20 30 CGEDHN Cc1cc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1C#N ZINC000488171923 393465730 /nfs/dbraw/zinc/46/57/30/393465730.db2.gz PTEFVAHVMRBKGI-SJORKVTESA-N 0 3 286.419 3.096 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000357845734 393517913 /nfs/dbraw/zinc/51/79/13/393517913.db2.gz ZVZFUGVZNDJKAR-OCCSQVGLSA-N 0 3 258.365 3.440 20 30 CGEDHN Cn1cc(CNCc2csc3ccccc23)cc1C#N ZINC000359962505 393558393 /nfs/dbraw/zinc/55/83/93/393558393.db2.gz DZGKKGUMGYNFRC-UHFFFAOYSA-N 0 3 281.384 3.401 20 30 CGEDHN C[C@@H]1CC2(CCC2)CN1Cc1ccc(C#N)c(F)c1 ZINC000433263648 393705931 /nfs/dbraw/zinc/70/59/31/393705931.db2.gz WOKQNYVFOGJMFI-GFCCVEGCSA-N 0 3 258.340 3.462 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(C2CC2)n1 ZINC000435732888 393715486 /nfs/dbraw/zinc/71/54/86/393715486.db2.gz RAIJKRNXRGQKMT-OCCSQVGLSA-N 0 3 278.421 3.091 20 30 CGEDHN N#Cc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)s1 ZINC000449537745 393888356 /nfs/dbraw/zinc/88/83/56/393888356.db2.gz JWERVWPLLPUZKP-CABCVRRESA-N 0 3 258.390 3.240 20 30 CGEDHN C=C(Cl)CN[C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000286270912 397671471 /nfs/dbraw/zinc/67/14/71/397671471.db2.gz VMZNXYPWLDCEOB-NSHDSACASA-N 0 3 283.799 3.285 20 30 CGEDHN C=CCSCCNCc1ccc(OC)c(OC)c1C ZINC000342159303 397684195 /nfs/dbraw/zinc/68/41/95/397684195.db2.gz HEIWYEUUONRMDX-UHFFFAOYSA-N 0 3 281.421 3.021 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](CO)C[C@H](C)CC ZINC000647242913 397714898 /nfs/dbraw/zinc/71/48/98/397714898.db2.gz ANKFIVOJMKBCFW-ZBFHGGJFSA-N 0 3 277.408 3.138 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000649876491 397742235 /nfs/dbraw/zinc/74/22/35/397742235.db2.gz SRCMLLBIHCGCPM-GJZGRUSLSA-N 0 3 283.774 3.457 20 30 CGEDHN COCCN(CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000676557667 543404706 /nfs/dbraw/zinc/40/47/06/543404706.db2.gz ZEILKUFITYSDGF-UHFFFAOYSA-N 0 3 275.367 3.068 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000677047380 543427842 /nfs/dbraw/zinc/42/78/42/543427842.db2.gz XYMGVBDAUHUDJZ-CYBMUJFWSA-N 0 3 273.298 3.074 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000678745328 543553057 /nfs/dbraw/zinc/55/30/57/543553057.db2.gz QCLIIIROXHPNII-CZUORRHYSA-N 0 3 263.381 3.061 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000678770029 543556096 /nfs/dbraw/zinc/55/60/96/543556096.db2.gz HMWITXWBJTXGRS-GJZGRUSLSA-N 0 3 267.376 3.325 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc2ccccc21 ZINC000678728848 543550553 /nfs/dbraw/zinc/55/05/53/543550553.db2.gz PZLIHURSCQWVNO-SUMWQHHRSA-N 0 3 255.361 3.427 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000678729351 543551220 /nfs/dbraw/zinc/55/12/20/543551220.db2.gz QWFZUESMFPTNQP-MFKMUULPSA-N 0 3 273.298 3.293 20 30 CGEDHN COCC#CCN[C@H](c1ccccc1C)C(C)(C)C ZINC000678786007 543558501 /nfs/dbraw/zinc/55/85/01/543558501.db2.gz WMQZGYHQWQPEJF-MRXNPFEDSA-N 0 3 259.393 3.322 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)CC[C@H]1C ZINC000076149692 165109297 /nfs/dbraw/zinc/10/92/97/165109297.db2.gz CFHJZSYZWCXLOD-ZIAGYGMSSA-N 0 3 288.391 3.066 20 30 CGEDHN COc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC000087833108 165188984 /nfs/dbraw/zinc/18/89/84/165188984.db2.gz CDZDJGICQCQOLN-STQMWFEESA-N 0 3 258.365 3.045 20 30 CGEDHN CN(C)[C@H](CNCc1cccc(C#N)c1)c1cccs1 ZINC000020147581 171034232 /nfs/dbraw/zinc/03/42/32/171034232.db2.gz YJSYTZSOEDVTFP-OAHLLOKOSA-N 0 3 285.416 3.012 20 30 CGEDHN N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000020362103 171161064 /nfs/dbraw/zinc/16/10/64/171161064.db2.gz LCTCZZIBNQAVJC-GOSISDBHSA-N 0 3 277.371 3.245 20 30 CGEDHN C=CCOCCN[C@H]1CCCOc2c(C)cc(C)cc21 ZINC000679576191 543647885 /nfs/dbraw/zinc/64/78/85/543647885.db2.gz KKWSUAFYKBQTLV-INIZCTEOSA-N 0 3 275.392 3.309 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680108862 543685837 /nfs/dbraw/zinc/68/58/37/543685837.db2.gz KPRHOWZUPLGGOM-CZUORRHYSA-N 0 3 261.340 3.081 20 30 CGEDHN CC(C#N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000334748167 225271692 /nfs/dbraw/zinc/27/16/92/225271692.db2.gz WPUIUIGIDBOKOH-ZFWWWQNUSA-N 0 3 268.360 3.290 20 30 CGEDHN C=CCCN(C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000682436296 543845817 /nfs/dbraw/zinc/84/58/17/543845817.db2.gz DVZLIECMSHCNCA-UHFFFAOYSA-N 0 3 271.364 3.093 20 30 CGEDHN C=CCOCCCN[C@H](CC(C)C)c1ccccn1 ZINC000684204874 543972650 /nfs/dbraw/zinc/97/26/50/543972650.db2.gz IEONOKXEZGKADB-MRXNPFEDSA-N 0 3 262.397 3.351 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OCC3CC3)nc2)C1 ZINC000192790610 227290339 /nfs/dbraw/zinc/29/03/39/227290339.db2.gz WSMHXBKNVDFFSV-GDBMZVCRSA-N 0 3 285.391 3.042 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000352833251 227308903 /nfs/dbraw/zinc/30/89/03/227308903.db2.gz HROSBTFLVSISEZ-BDAKNGLRSA-N 0 3 289.326 3.225 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000334141527 227332162 /nfs/dbraw/zinc/33/21/62/227332162.db2.gz KQTLGNRQTGYCKA-LBPRGKRZSA-N 0 3 281.359 3.034 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000659328798 418976494 /nfs/dbraw/zinc/97/64/94/418976494.db2.gz IWFZAXGUPRXIFX-ZACQAIPSSA-N 0 3 286.419 3.328 20 30 CGEDHN C=CCC1(CNCc2cc3n(n2)CCCC3)CCCC1 ZINC000655779802 419095661 /nfs/dbraw/zinc/09/56/61/419095661.db2.gz RKCDVUPKKGRBPV-UHFFFAOYSA-N 0 3 273.424 3.446 20 30 CGEDHN C=CCCn1cc(CN(CC)[C@H]2CCCC[C@@H]2C)nn1 ZINC000653632597 419062596 /nfs/dbraw/zinc/06/25/96/419062596.db2.gz ZYRSSMMHZDJIJA-HOCLYGCPSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCCCC23CCCC3)nn1 ZINC000653692618 419073196 /nfs/dbraw/zinc/07/31/96/419073196.db2.gz YMQLKOJBCZEODQ-INIZCTEOSA-N 0 3 288.439 3.447 20 30 CGEDHN C=CCN(CCCC(=O)c1ccccc1)[C@@H](C)COC ZINC000661240708 419243123 /nfs/dbraw/zinc/24/31/23/419243123.db2.gz QMOAMATUXVHCBI-HNNXBMFYSA-N 0 3 275.392 3.172 20 30 CGEDHN C=CCN(Cc1cccc2cccnc21)[C@H](C)COC ZINC000661241299 419244450 /nfs/dbraw/zinc/24/44/50/419244450.db2.gz VHZLCGQFALDUOX-CQSZACIVSA-N 0 3 270.376 3.258 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000661378195 419255886 /nfs/dbraw/zinc/25/58/86/419255886.db2.gz ADOOTZQLTADSSP-DOTOQJQBSA-N 0 3 286.419 3.104 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)[C@H]1CC1(F)F ZINC000666444927 419217955 /nfs/dbraw/zinc/21/79/55/419217955.db2.gz MEQCZDKPVKCMKJ-WCQYABFASA-N 0 3 267.319 3.385 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H]2C(C)(C)C)nn1 ZINC000657494801 419293955 /nfs/dbraw/zinc/29/39/55/419293955.db2.gz HNWWBIULFPHSGO-GJZGRUSLSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCC1(NCc2ncc(Cl)s2)CCOCC1 ZINC000657633584 419316989 /nfs/dbraw/zinc/31/69/89/419316989.db2.gz QVSIHGNSIWGGJJ-UHFFFAOYSA-N 0 3 272.801 3.011 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H]1CCC[C@H](C)O1 ZINC000657662483 419321735 /nfs/dbraw/zinc/32/17/35/419321735.db2.gz CUVNXZCYNZOQKN-GOEBONIOSA-N 0 3 275.392 3.299 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC1CCCCC1 ZINC000662078843 419333074 /nfs/dbraw/zinc/33/30/74/419333074.db2.gz CQTDSGQYXDBDGV-BMFZPTHFSA-N 0 3 276.424 3.007 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000662080648 419333275 /nfs/dbraw/zinc/33/32/75/419333275.db2.gz LEERWADRQWEXJS-HHARLNAUSA-N 0 3 290.451 3.062 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000662082063 419333913 /nfs/dbraw/zinc/33/39/13/419333913.db2.gz XIAOLHOZAPWFOK-DMRKSPOLSA-N 0 3 290.451 3.253 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cc(F)cc(Br)c2)C1 ZINC000336170425 228202957 /nfs/dbraw/zinc/20/29/57/228202957.db2.gz AGILKTJWHZJSSS-NOZJJQNGSA-N 0 3 297.171 3.370 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nncn1-c1ccccc1 ZINC000657835368 419379526 /nfs/dbraw/zinc/37/95/26/419379526.db2.gz PQJRGASWOVXQHZ-DOTOQJQBSA-N 0 3 296.418 3.492 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000662600267 419460060 /nfs/dbraw/zinc/46/00/60/419460060.db2.gz FUTBRBYADQKFBW-OLMNPRSZSA-N 0 3 298.430 3.125 20 30 CGEDHN C=CCC1(NC(=O)[C@H](C)[C@H](N)c2ccccc2)CCCC1 ZINC000662889623 419504875 /nfs/dbraw/zinc/50/48/75/419504875.db2.gz ZTIAVMDIDQALCQ-ZBFHGGJFSA-N 0 3 286.419 3.328 20 30 CGEDHN C=CCCC(C)(C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662953090 419510018 /nfs/dbraw/zinc/51/00/18/419510018.db2.gz JGDLYRDIUDDCMP-HNNXBMFYSA-N 0 3 272.392 3.082 20 30 CGEDHN C=CCN1CCC(Nc2cc(C(F)(F)F)cc(C)n2)CC1 ZINC000663569512 419649787 /nfs/dbraw/zinc/64/97/87/419649787.db2.gz LFHLCWRGUYMPHU-UHFFFAOYSA-N 0 3 299.340 3.471 20 30 CGEDHN CCCCCCCCCNC(=O)C1CCN(C)CC1 ZINC000746116262 572854117 /nfs/dbraw/zinc/85/41/17/572854117.db2.gz ISAQGPZAEMLLBW-UHFFFAOYSA-N 0 3 268.445 3.195 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C)[C@H]1C ZINC000179661027 260062281 /nfs/dbraw/zinc/06/22/81/260062281.db2.gz KLVCECUYFDIOHA-QWHCGFSZSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cccnc1 ZINC000037228863 260075744 /nfs/dbraw/zinc/07/57/44/260075744.db2.gz SQRZGBGGSNYOPV-UONOGXRCSA-N 0 3 281.359 3.396 20 30 CGEDHN C#Cc1cccc(NC2CCN(c3ccncc3)CC2)c1 ZINC000037374096 260097578 /nfs/dbraw/zinc/09/75/78/260097578.db2.gz LWCMORGGQYEIGM-UHFFFAOYSA-N 0 3 277.371 3.144 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000037505847 260113909 /nfs/dbraw/zinc/11/39/09/260113909.db2.gz LOIOCJZFTCYAEC-UHFFFAOYSA-N 0 3 278.355 3.413 20 30 CGEDHN CN(CCC#N)c1ccc(CNCc2ccc(F)cc2)cc1 ZINC000078371475 260300512 /nfs/dbraw/zinc/30/05/12/260300512.db2.gz NUDZGGWXQFZEQQ-UHFFFAOYSA-N 0 3 297.377 3.465 20 30 CGEDHN CC(=O)NC1CCC(N[C@H](CCC#N)c2ccccc2)CC1 ZINC000133628956 260906673 /nfs/dbraw/zinc/90/66/73/260906673.db2.gz GBTWURVLXZOECV-DAWZGUTISA-N 0 3 299.418 3.068 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H](C)N1C ZINC000339622743 262657271 /nfs/dbraw/zinc/65/72/71/262657271.db2.gz JPMPMJHLFBQDBB-HUUCEWRRSA-N 0 3 285.435 3.012 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000272904699 263009828 /nfs/dbraw/zinc/00/98/28/263009828.db2.gz GOWWSIDLFHUYIV-HXPMCKFVSA-N 0 3 278.421 3.014 20 30 CGEDHN CCCCOc1ccc(CNCCCC#N)cc1OC ZINC000273114322 263012759 /nfs/dbraw/zinc/01/27/59/263012759.db2.gz YBFKTBWBXBXXRV-UHFFFAOYSA-N 0 3 276.380 3.267 20 30 CGEDHN CC[C@@H](CC#N)NC1CCN(c2ccc(F)cc2F)CC1 ZINC000273833555 263019729 /nfs/dbraw/zinc/01/97/29/263019729.db2.gz GKOQYSLUIIMLQA-ZDUSSCGKSA-N 0 3 293.361 3.215 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(N2CCCC2=O)c1 ZINC000274578126 263026706 /nfs/dbraw/zinc/02/67/06/263026706.db2.gz BWIRTPHTKGNIRO-DZKIICNBSA-N 0 3 297.402 3.156 20 30 CGEDHN CC(C)(C#N)CCN1CCC(c2ccncc2)CC1 ZINC000277264000 263040417 /nfs/dbraw/zinc/04/04/17/263040417.db2.gz RBKVJXLVJARUKI-UHFFFAOYSA-N 0 3 257.381 3.201 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000278769669 263050859 /nfs/dbraw/zinc/05/08/59/263050859.db2.gz YOEIOGVMYIXSJC-HIFRSBDPSA-N 0 3 294.402 3.435 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000278769668 263051047 /nfs/dbraw/zinc/05/10/47/263051047.db2.gz YOEIOGVMYIXSJC-DZGCQCFKSA-N 0 3 294.402 3.435 20 30 CGEDHN N#CC1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000282368032 263076204 /nfs/dbraw/zinc/07/62/04/263076204.db2.gz NTQJZLIDVXHMOS-UHFFFAOYSA-N 0 3 279.365 3.076 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CCO)c2ccc(Cl)cc2)C1 ZINC000287057605 263100751 /nfs/dbraw/zinc/10/07/51/263100751.db2.gz NFXYARUNSUBXJC-KCXAZCMYSA-N 0 3 292.810 3.435 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CC2(C)C)cc1OC ZINC000340422043 263139222 /nfs/dbraw/zinc/13/92/22/263139222.db2.gz ZTRHMNANZJLXEU-HNNXBMFYSA-N 0 3 261.365 3.148 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000293579923 263143575 /nfs/dbraw/zinc/14/35/75/263143575.db2.gz SZZDEKZVTCXZPY-ZTFGCOKTSA-N 0 3 284.403 3.124 20 30 CGEDHN CC1(C#N)CCN(C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000294643970 263165244 /nfs/dbraw/zinc/16/52/44/263165244.db2.gz QDAINBIGOOMZOU-CQSZACIVSA-N 0 3 284.359 3.092 20 30 CGEDHN COc1ccccc1O[C@@H]1CCCN([C@H](C)CCC#N)C1 ZINC000298507047 263220543 /nfs/dbraw/zinc/22/05/43/263220543.db2.gz KLVGGJLQWDKJSG-HUUCEWRRSA-N 0 3 288.391 3.231 20 30 CGEDHN C=CCC[C@H](N[C@@H](C)CC[S@@](C)=O)c1ccco1 ZINC000353633147 263282387 /nfs/dbraw/zinc/28/23/87/263282387.db2.gz RQPAQZWHDAHWQK-ZJNRKIDTSA-N 0 3 269.410 3.034 20 30 CGEDHN C=CCOc1ccc(CN[C@@]2(C)CCOC2)cc1Cl ZINC000120217645 263284144 /nfs/dbraw/zinc/28/41/44/263284144.db2.gz XYPARDIQROGBQN-HNNXBMFYSA-N 0 3 281.783 3.173 20 30 CGEDHN CC(C#N)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000340864070 263309905 /nfs/dbraw/zinc/30/99/05/263309905.db2.gz PPPCJFPQVSIQMY-LLVKDONJSA-N 0 3 276.767 3.081 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(Cl)ccc1OC ZINC000341869325 263360636 /nfs/dbraw/zinc/36/06/36/263360636.db2.gz BDUWGXGBDCTHGG-NWDGAFQWSA-N 0 3 283.799 3.184 20 30 CGEDHN COCC1(C#N)CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000341983837 263370661 /nfs/dbraw/zinc/37/06/61/263370661.db2.gz FWJLZUZWBZXYHU-HZPDHXFCSA-N 0 3 278.440 3.455 20 30 CGEDHN COCC1(C#N)CCN(CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000341983833 263370779 /nfs/dbraw/zinc/37/07/79/263370779.db2.gz FWJLZUZWBZXYHU-CVEARBPZSA-N 0 3 278.440 3.455 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000334226144 263496493 /nfs/dbraw/zinc/49/64/93/263496493.db2.gz FBEMRXHIQMFGGG-SFHVURJKSA-N 0 3 284.403 3.448 20 30 CGEDHN C=CCC[C@H](CC)NCC(=O)Nc1cccc(F)c1 ZINC000425377557 264217155 /nfs/dbraw/zinc/21/71/55/264217155.db2.gz HFFMBZCKFGWFSU-ZDUSSCGKSA-N 0 3 264.344 3.099 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)C[C@H]1CCCOC1 ZINC000160098084 264223716 /nfs/dbraw/zinc/22/37/16/264223716.db2.gz WAHCCIOQLAASBP-OAHLLOKOSA-N 0 3 277.795 3.050 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1C ZINC000076735641 264343945 /nfs/dbraw/zinc/34/39/45/264343945.db2.gz ZEVPEOUWGNKHRQ-CQSZACIVSA-N 0 3 260.381 3.220 20 30 CGEDHN C=CCN(CCc1ccncc1)Cc1ccc(OC)cc1 ZINC000077384281 264351580 /nfs/dbraw/zinc/35/15/80/264351580.db2.gz BPEHYEJHJXRMDT-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN CC[C@H](COC)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180635 264392050 /nfs/dbraw/zinc/39/20/50/264392050.db2.gz IUWWVIWXSMRTMX-CQSZACIVSA-N 0 3 285.309 3.072 20 30 CGEDHN C#C[C@@H](NCc1ccc2c(c1)COC(C)(C)O2)C(C)C ZINC000289398444 264721707 /nfs/dbraw/zinc/72/17/07/264721707.db2.gz OIPLBODXUPEWRV-OAHLLOKOSA-N 0 3 273.376 3.079 20 30 CGEDHN C=CCOCCNC1(c2cccc(Cl)c2)CC1 ZINC000293827965 264996794 /nfs/dbraw/zinc/99/67/94/264996794.db2.gz PMYFPCSHPYKSNA-UHFFFAOYSA-N 0 3 251.757 3.121 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccccc1SC ZINC000294091937 265007091 /nfs/dbraw/zinc/00/70/91/265007091.db2.gz LVGPUQFJICVENH-LBPRGKRZSA-N 0 3 251.395 3.262 20 30 CGEDHN Cc1nn(-c2ccc(F)cc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349851168 265211628 /nfs/dbraw/zinc/21/16/28/265211628.db2.gz NFBUHIFXAXCIOW-XJKSGUPXSA-N 0 3 298.365 3.102 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000357802523 266367120 /nfs/dbraw/zinc/36/71/20/266367120.db2.gz VOZYLQKUTBEPTH-CQSZACIVSA-N 0 3 270.376 3.160 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000357840161 266375618 /nfs/dbraw/zinc/37/56/18/266375618.db2.gz XQDWIWHZISCCDE-AWEZNQCLSA-N 0 3 294.354 3.041 20 30 CGEDHN Cc1nsc(NC[C@H]2CCN2C2CCCCC2)c1C#N ZINC000528120037 270154828 /nfs/dbraw/zinc/15/48/28/270154828.db2.gz YUQNXPULGCHNLU-CYBMUJFWSA-N 0 3 290.436 3.142 20 30 CGEDHN CN1CC[C@@H](NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000368057034 267142973 /nfs/dbraw/zinc/14/29/73/267142973.db2.gz TYLWMZSARMMLAM-CABCVRRESA-N 0 3 295.789 3.118 20 30 CGEDHN CC(C)[C@]1(CO)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000368068437 267144099 /nfs/dbraw/zinc/14/40/99/267144099.db2.gz ICAWNALRPMOVJK-QGZVFWFLSA-N 0 3 291.822 3.032 20 30 CGEDHN CC[C@@H](C)[C@@H](C)N(Cc1ccc(C#N)cn1)C1CC1 ZINC000519759817 267186852 /nfs/dbraw/zinc/18/68/52/267186852.db2.gz PCDYKTNNFJNEFP-CHWSQXEVSA-N 0 3 257.381 3.352 20 30 CGEDHN COc1ccc(C[C@H](C)CNCC2(C#N)CCC2)cc1F ZINC000418144265 267364685 /nfs/dbraw/zinc/36/46/85/267364685.db2.gz SFHFVZFEFNKSAW-ZDUSSCGKSA-N 0 3 290.382 3.296 20 30 CGEDHN C#CCCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000371205234 267370618 /nfs/dbraw/zinc/37/06/18/267370618.db2.gz PRIAYCUNZHTHEY-SNVBAGLBSA-N 0 3 288.338 3.365 20 30 CGEDHN COCCC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000527936265 267439720 /nfs/dbraw/zinc/43/97/20/267439720.db2.gz PQNLTPSOMGCGJS-CQSZACIVSA-N 0 3 272.392 3.368 20 30 CGEDHN C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000459416202 274353023 /nfs/dbraw/zinc/35/30/23/274353023.db2.gz UQHGZMJPSSAYGO-IVMMDQJWSA-N 0 3 299.374 3.477 20 30 CGEDHN CC[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1 ZINC000278303587 276591221 /nfs/dbraw/zinc/59/12/21/276591221.db2.gz SFOLQSSQCMPZOI-GBESFXJTSA-N 0 3 292.382 3.257 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2cn[nH]c2)CC1 ZINC000365227594 278411917 /nfs/dbraw/zinc/41/19/17/278411917.db2.gz QMYQIRDBDCGKQS-ZDUSSCGKSA-N 0 3 280.375 3.222 20 30 CGEDHN N#Cc1cc(Cl)ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000110259007 279502738 /nfs/dbraw/zinc/50/27/38/279502738.db2.gz SGFQBSNQDUISAN-OAHLLOKOSA-N 0 3 289.810 3.276 20 30 CGEDHN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1 ZINC000371118756 279522906 /nfs/dbraw/zinc/52/29/06/279522906.db2.gz PXWTWQDQUVTGOW-IFXJQAMLSA-N 0 3 291.398 3.396 20 30 CGEDHN C[C@@H](CNC1(c2cccc(C#N)c2)CC1)C(F)(F)F ZINC000556510037 289395295 /nfs/dbraw/zinc/39/52/95/289395295.db2.gz UYMJMJRYCDDABX-JTQLQIEISA-N 0 3 268.282 3.335 20 30 CGEDHN CCC[C@H]1CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000561405989 289638748 /nfs/dbraw/zinc/63/87/48/289638748.db2.gz QPAWJWBWNSQDNB-AAEUAGOBSA-N 0 3 263.410 3.463 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)o1 ZINC000093665884 303190095 /nfs/dbraw/zinc/19/00/95/303190095.db2.gz NVGNZWDAGDOBLK-HNNXBMFYSA-N 0 3 274.364 3.075 20 30 CGEDHN COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185871700 327848823 /nfs/dbraw/zinc/84/88/23/327848823.db2.gz WGAIJHXQLRLYND-BPUTZDHNSA-N 0 3 258.365 3.046 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000185875925 327849129 /nfs/dbraw/zinc/84/91/29/327849129.db2.gz HSQZEKWROHOTHT-JVLSTEMRSA-N 0 3 296.773 3.184 20 30 CGEDHN N#CC1(CCN(CCO)[C@@H]2CCCSC2)CCCCC1 ZINC000411665515 328098162 /nfs/dbraw/zinc/09/81/62/328098162.db2.gz KKGVPFZDCVOAOL-OAHLLOKOSA-N 0 3 296.480 3.040 20 30 CGEDHN C=CCOc1ccc(CNCCSCC)cc1 ZINC000336722943 328158840 /nfs/dbraw/zinc/15/88/40/328158840.db2.gz YMWJXNFBTLYQNC-UHFFFAOYSA-N 0 3 251.395 3.094 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000264568760 328160537 /nfs/dbraw/zinc/16/05/37/328160537.db2.gz QPKOLKQUSNANHD-QGZVFWFLSA-N 0 3 281.359 3.254 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc(C(=O)OC)cc1 ZINC000340377569 328263021 /nfs/dbraw/zinc/26/30/21/328263021.db2.gz UJGFDKTWFBHKOJ-OAHLLOKOSA-N 0 3 286.375 3.208 20 30 CGEDHN Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)ccc1C#N ZINC000582940415 329291561 /nfs/dbraw/zinc/29/15/61/329291561.db2.gz BMWCIFNXWUIFKT-STQMWFEESA-N 0 3 260.406 3.193 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000565312122 322072845 /nfs/dbraw/zinc/07/28/45/322072845.db2.gz ICPPIAPKDBBSIG-LSDHHAIUSA-N 0 3 287.407 3.025 20 30 CGEDHN C[C@@H]1CCCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566300617 322114488 /nfs/dbraw/zinc/11/44/88/322114488.db2.gz IHOIZZUZNQSGQD-GFCCVEGCSA-N 0 3 273.336 3.088 20 30 CGEDHN C[C@@H]1C[C@H](Nc2ccc(Cl)cc2C#N)CN1C1CC1 ZINC000569635160 322252548 /nfs/dbraw/zinc/25/25/48/322252548.db2.gz QOYIWFNROGJBPJ-MFKMUULPSA-N 0 3 275.783 3.249 20 30 CGEDHN C=CCCCCN1CCN(CCOc2ccccc2)CC1 ZINC000563678871 328366878 /nfs/dbraw/zinc/36/68/78/328366878.db2.gz UPVZQQFDRJTRDR-UHFFFAOYSA-N 0 3 288.435 3.039 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1cc(C)nc(N2CCCC2)n1 ZINC000293218280 328544433 /nfs/dbraw/zinc/54/44/33/328544433.db2.gz AHDISKFQUWRNNG-ZFWWWQNUSA-N 0 3 288.439 3.076 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccccc1Cl ZINC000320615598 328541790 /nfs/dbraw/zinc/54/17/90/328541790.db2.gz HLCHIFONDKSXMP-NWDGAFQWSA-N 0 3 253.773 3.318 20 30 CGEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1ccncc1 ZINC000568761268 327014715 /nfs/dbraw/zinc/01/47/15/327014715.db2.gz NNTMYXNXIPZERQ-KRWDZBQOSA-N 0 3 265.360 3.389 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1nc(C)c(C)s1)C(C)C ZINC000558604283 327108422 /nfs/dbraw/zinc/10/84/22/327108422.db2.gz IMBRVEMMVCNQGZ-HNNXBMFYSA-N 0 3 293.480 3.292 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1cc2ccccc2n(C)c1=O ZINC000569468713 327182260 /nfs/dbraw/zinc/18/22/60/327182260.db2.gz HSOSBDYVLCFCDF-INIZCTEOSA-N 0 3 282.387 3.079 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156418143 327404986 /nfs/dbraw/zinc/40/49/86/327404986.db2.gz PHGADODNHGDTBN-UBHSHLNASA-N 0 3 251.370 3.466 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000358319216 328882047 /nfs/dbraw/zinc/88/20/47/328882047.db2.gz NVGKAVWAFJLCAG-KBPBESRZSA-N 0 3 285.391 3.224 20 30 CGEDHN CC#CCCNCc1cn(C)nc1-c1ccccc1Cl ZINC000360960177 328912864 /nfs/dbraw/zinc/91/28/64/328912864.db2.gz XKUDPGWZTTWMNJ-UHFFFAOYSA-N 0 3 287.794 3.244 20 30 CGEDHN C[C@H](C#N)CN(CC1CCC(F)(F)CC1)C1CC1 ZINC000459376977 329231684 /nfs/dbraw/zinc/23/16/84/329231684.db2.gz OUOMVBPPKYBKDY-LLVKDONJSA-N 0 3 256.340 3.436 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000181342091 329231932 /nfs/dbraw/zinc/23/19/32/329231932.db2.gz ULJFLXQEPJXVAH-INIZCTEOSA-N 0 3 299.418 3.175 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185008930 329264774 /nfs/dbraw/zinc/26/47/74/329264774.db2.gz KWXSFWAZWSWUNU-UHFFFAOYSA-N 0 3 288.395 3.253 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(OC(F)F)c2)C1 ZINC000185822554 329329747 /nfs/dbraw/zinc/32/97/47/329329747.db2.gz WGEFERTYHRBORK-YPMHNXCESA-N 0 3 280.318 3.460 20 30 CGEDHN N#CCC1CCN(Cc2ccnc3ccccc23)CC1 ZINC000397246747 329346091 /nfs/dbraw/zinc/34/60/91/329346091.db2.gz AIRYICULDHMVJF-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN C=CC[C@@H](C(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000189015123 329375175 /nfs/dbraw/zinc/37/51/75/329375175.db2.gz VIYZNUQRZWRWSH-ZWKOTPCHSA-N 0 3 298.430 3.043 20 30 CGEDHN C#CCCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000192126214 329428986 /nfs/dbraw/zinc/42/89/86/329428986.db2.gz BCHLZLVFQMNBEZ-INIZCTEOSA-N 0 3 298.430 3.132 20 30 CGEDHN C=C(C)CCN1CCN(c2ccccc2OCC)CC1 ZINC000509265377 332862865 /nfs/dbraw/zinc/86/28/65/332862865.db2.gz VBOXISSBALZYPL-UHFFFAOYSA-N 0 3 274.408 3.174 20 30 CGEDHN C=CCC(C)(C)CNCc1c(OC)cc(OC)cc1OC ZINC000314814816 329541219 /nfs/dbraw/zinc/54/12/19/329541219.db2.gz VHLPNJHOMWRXKF-UHFFFAOYSA-N 0 3 293.407 3.404 20 30 CGEDHN C[C@@H](Nc1cccc(OCCCC#N)c1)c1cnccc1N ZINC000423028440 330166059 /nfs/dbraw/zinc/16/60/59/330166059.db2.gz QQYKRGUBRNGUCG-CYBMUJFWSA-N 0 3 296.374 3.350 20 30 CGEDHN CC[C@H](c1ccccc1)N(CC)C(=O)[C@@H](N)CCCC#N ZINC000424081578 330222075 /nfs/dbraw/zinc/22/20/75/330222075.db2.gz AHAGCAKAPWGSLX-JKSUJKDBSA-N 0 3 287.407 3.007 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(C(C)(C)C)n1 ZINC000424170812 330310810 /nfs/dbraw/zinc/31/08/10/330310810.db2.gz JSNHWOKTXDUSMJ-AAEUAGOBSA-N 0 3 280.437 3.121 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccsc1Cl ZINC000424178858 330318276 /nfs/dbraw/zinc/31/82/76/330318276.db2.gz XCFYQENQBBRYDN-ONGXEEELSA-N 0 3 257.786 3.082 20 30 CGEDHN C=CCn1cc(CN[C@H](C2CCC2)C2CCCCC2)nn1 ZINC000424292723 330335138 /nfs/dbraw/zinc/33/51/38/330335138.db2.gz HEPLXNWTHAWLCO-KRWDZBQOSA-N 0 3 288.439 3.303 20 30 CGEDHN C=CCn1cc(CN[C@@H](CCc2ccccc2)C(C)C)nn1 ZINC000424301276 330337789 /nfs/dbraw/zinc/33/77/89/330337789.db2.gz ZPRJBHNQHJVVJS-SFHVURJKSA-N 0 3 298.434 3.211 20 30 CGEDHN Cc1ccc2c(c1)OCCC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424318190 330339754 /nfs/dbraw/zinc/33/97/54/330339754.db2.gz CRAUOONBEZKNFP-SQWLQELKSA-N 0 3 270.376 3.491 20 30 CGEDHN COc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1F ZINC000424319131 330339861 /nfs/dbraw/zinc/33/98/61/330339861.db2.gz DWMRWGUGUXMBGN-NTZNESFSSA-N 0 3 262.328 3.177 20 30 CGEDHN Cc1nc2c(s1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000424323396 330340604 /nfs/dbraw/zinc/34/06/04/330340604.db2.gz JALIPDGTIAYEKE-LOWVWBTDSA-N 0 3 261.394 3.111 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccnn1-c1ccccc1 ZINC000424325980 330341290 /nfs/dbraw/zinc/34/12/90/330341290.db2.gz LMDBRFZJTXOBFX-QLFBSQMISA-N 0 3 280.375 3.215 20 30 CGEDHN C[C@@H](N(C)CC(=O)N(C)C1(C#N)CCCCC1)C(C)(C)C ZINC000533249231 330355273 /nfs/dbraw/zinc/35/52/73/330355273.db2.gz BHEWYQGXEMHHAH-CQSZACIVSA-N 0 3 293.455 3.038 20 30 CGEDHN C=CCC[C@@H](N[C@@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000089637804 330386842 /nfs/dbraw/zinc/38/68/42/330386842.db2.gz NQCSGUTXUFHWJT-GOEBONIOSA-N 0 3 295.448 3.107 20 30 CGEDHN N#CCC1(CNCc2ccccc2OCC(F)(F)F)CC1 ZINC000430023076 330557585 /nfs/dbraw/zinc/55/75/85/330557585.db2.gz NMEUXIPLWRFEJY-UHFFFAOYSA-N 0 3 298.308 3.411 20 30 CGEDHN Cc1nc2c(s1)[C@@H](NCC1(CC#N)CC1)CCC2 ZINC000430735249 330571745 /nfs/dbraw/zinc/57/17/45/330571745.db2.gz PTULGBPZCFTGIA-NSHDSACASA-N 0 3 261.394 3.112 20 30 CGEDHN OCCC1(NCC#Cc2cccc(Cl)c2)CCCCC1 ZINC000440892359 330757485 /nfs/dbraw/zinc/75/74/85/330757485.db2.gz LWQJYASWDNYGCM-UHFFFAOYSA-N 0 3 291.822 3.366 20 30 CGEDHN CN(C)CCOc1cccc(NCC(C)(C)CCC#N)c1 ZINC000157512456 330777764 /nfs/dbraw/zinc/77/77/64/330777764.db2.gz MXUVPFATKLWCRI-UHFFFAOYSA-N 0 3 289.423 3.369 20 30 CGEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442782098 330782692 /nfs/dbraw/zinc/78/26/92/330782692.db2.gz PLYKFFNHZHODPZ-LZWOXQAQSA-N 0 3 299.418 3.453 20 30 CGEDHN COc1ccc(F)cc1CNC1CCC(C)(C#N)CC1 ZINC000449258065 330910398 /nfs/dbraw/zinc/91/03/98/330910398.db2.gz LMTDVTFDOJJADQ-UHFFFAOYSA-N 0 3 276.355 3.396 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)c(C)c1 ZINC000449518654 330933131 /nfs/dbraw/zinc/93/31/31/330933131.db2.gz KDCXRJKKWWNSHN-KGLIPLIRSA-N 0 3 296.208 3.191 20 30 CGEDHN C=CCC1(NCc2ccoc2C(=O)OC)CCCCC1 ZINC000449571067 330938003 /nfs/dbraw/zinc/93/80/03/330938003.db2.gz DRIGAEHLIMBCFO-UHFFFAOYSA-N 0 3 277.364 3.435 20 30 CGEDHN C=CCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451142673 331017296 /nfs/dbraw/zinc/01/72/96/331017296.db2.gz FAEKBQKKHXVPGL-UHFFFAOYSA-N 0 3 257.255 3.350 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000451269652 331022582 /nfs/dbraw/zinc/02/25/82/331022582.db2.gz RFCDLYNXZIQGBP-ZBFHGGJFSA-N 0 3 288.435 3.315 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCCOc1cccc2ccccc21 ZINC000451604597 331036201 /nfs/dbraw/zinc/03/62/01/331036201.db2.gz HRCSOYQAISVPHJ-SJORKVTESA-N 0 3 283.371 3.152 20 30 CGEDHN C=CCC1(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)CCCC1 ZINC000451692986 331039284 /nfs/dbraw/zinc/03/92/84/331039284.db2.gz WOBBQQIGSWWMER-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453175787 331097295 /nfs/dbraw/zinc/09/72/95/331097295.db2.gz LSAJQNYWMBPJQS-HNNXBMFYSA-N 0 3 299.418 3.330 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCSc2ccccc21 ZINC000453376716 331124920 /nfs/dbraw/zinc/12/49/20/331124920.db2.gz YCXZLPNJXAVWAT-MCIONIFRSA-N 0 3 261.390 3.157 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1nccc2ccccc21 ZINC000453376475 331124989 /nfs/dbraw/zinc/12/49/89/331124989.db2.gz XFFKEYLIJJYGTJ-UKRRQHHQSA-N 0 3 270.376 3.213 20 30 CGEDHN CCC1CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000453605387 331136231 /nfs/dbraw/zinc/13/62/31/331136231.db2.gz OKNSRXHKDYCUDP-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)CCCC#N)CC1 ZINC000456699291 331198955 /nfs/dbraw/zinc/19/89/55/331198955.db2.gz FESGPSMBCNJUJB-UHFFFAOYSA-N 0 3 293.455 3.039 20 30 CGEDHN C=C(C)CN(CC)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459300705 331275293 /nfs/dbraw/zinc/27/52/93/331275293.db2.gz QPBHREIWOMWKJU-INIZCTEOSA-N 0 3 288.435 3.310 20 30 CGEDHN C=C(C)CN(CC)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459300708 331275378 /nfs/dbraw/zinc/27/53/78/331275378.db2.gz QPBHREIWOMWKJU-MRXNPFEDSA-N 0 3 288.435 3.310 20 30 CGEDHN CC(C)[C@H](NCC#Cc1ccccc1)C1(CO)CCCC1 ZINC000459529920 331286197 /nfs/dbraw/zinc/28/61/97/331286197.db2.gz LEWLEEAXRAHIHK-SFHVURJKSA-N 0 3 285.431 3.205 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCC[C@H]2c2ccccc2)C1=O ZINC000459720173 331295591 /nfs/dbraw/zinc/29/55/91/331295591.db2.gz ZFDPEERSMFVARC-KSZLIROESA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@@H](CCC)NC(C)C)c1 ZINC000473320269 331550344 /nfs/dbraw/zinc/55/03/44/331550344.db2.gz LFHHASUPZAYPDU-MRXNPFEDSA-N 0 3 290.407 3.357 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)C(C)C)C(C)C ZINC000498367156 331639652 /nfs/dbraw/zinc/63/96/52/331639652.db2.gz JPJHPWZGKUYHIH-HOTGVXAUSA-N 0 3 280.456 3.093 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(C)cc1C ZINC000489450396 332053637 /nfs/dbraw/zinc/05/36/37/332053637.db2.gz QCOPFTNSYOCYMR-IRXDYDNUSA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1cccc(NC(C)=O)c1 ZINC000489477703 332055435 /nfs/dbraw/zinc/05/54/35/332055435.db2.gz JVWVYMYVAROTBK-MRXNPFEDSA-N 0 3 258.365 3.186 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(Cl)cc1 ZINC000489492176 332056468 /nfs/dbraw/zinc/05/64/68/332056468.db2.gz CZFKKAUMDCDVFV-GJZGRUSLSA-N 0 3 295.810 3.120 20 30 CGEDHN C#C[C@H](N[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(F)cc1 ZINC000491229889 332170165 /nfs/dbraw/zinc/17/01/65/332170165.db2.gz JSMYCJRJZWKWRN-YESZJQIVSA-N 0 3 275.367 3.293 20 30 CGEDHN C[C@H]1OCC[C@@]1(C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000494234414 332467594 /nfs/dbraw/zinc/46/75/94/332467594.db2.gz PHQBGKNVEPTVKB-IUODEOHRSA-N 0 3 297.320 3.214 20 30 CGEDHN C=CCCOCCNCc1ccc(C)c(Br)c1 ZINC000218124951 333127151 /nfs/dbraw/zinc/12/71/51/333127151.db2.gz RQDBHNDMMJPLOU-UHFFFAOYSA-N 0 3 298.224 3.440 20 30 CGEDHN CCC(CC)CN(CCC#N)CC[C@@H]1CCCO1 ZINC000189499565 333193672 /nfs/dbraw/zinc/19/36/72/333193672.db2.gz KHCXASGEXMFEJW-HNNXBMFYSA-N 0 3 252.402 3.207 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190205225 333204521 /nfs/dbraw/zinc/20/45/21/333204521.db2.gz WJCPVIMHFFNRMW-NEPJUHHUSA-N 0 3 279.346 3.224 20 30 CGEDHN C=C(C)COCCN[C@H]1CCSc2ccc(OC)cc21 ZINC000191534601 333221170 /nfs/dbraw/zinc/22/11/70/333221170.db2.gz CNWULJLQCJKBJF-HNNXBMFYSA-N 0 3 293.432 3.414 20 30 CGEDHN C[C@@H]1CC[C@H](N(CC#Cc2cccc(Cl)c2)CCO)C1 ZINC000572529504 333383938 /nfs/dbraw/zinc/38/39/38/333383938.db2.gz WIOFCTRZMFJQOD-PBHICJAKSA-N 0 3 291.822 3.174 20 30 CGEDHN N#Cc1ccc(OCCNCc2cc3ccccc3o2)cc1 ZINC000174560672 335158909 /nfs/dbraw/zinc/15/89/09/335158909.db2.gz XGIWXEWPQBIGII-UHFFFAOYSA-N 0 3 292.338 3.473 20 30 CGEDHN C=CC[C@@H](CO)NCc1cnc(C2CCCCC2)s1 ZINC000545253549 333973757 /nfs/dbraw/zinc/97/37/57/333973757.db2.gz NZYXVVLUXZIRNS-ZDUSSCGKSA-N 0 3 280.437 3.217 20 30 CGEDHN C=C(C)COCCNCc1ccccc1OCC1CC1 ZINC000134502714 334092344 /nfs/dbraw/zinc/09/23/44/334092344.db2.gz PFRMVINEXHESPX-UHFFFAOYSA-N 0 3 275.392 3.158 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000135268337 334122804 /nfs/dbraw/zinc/12/28/04/334122804.db2.gz HNQBAQLIJSCXJX-JTQLQIEISA-N 0 3 257.255 3.259 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3ncccc3c2)n1 ZINC000136093953 334146424 /nfs/dbraw/zinc/14/64/24/334146424.db2.gz DQPCWPQHLGCFRY-ZDUSSCGKSA-N 0 3 293.351 3.490 20 30 CGEDHN C=C(C)[C@@H](CC(=O)Nc1ccccc1CN(C)C)OCC ZINC000550219693 334216368 /nfs/dbraw/zinc/21/63/68/334216368.db2.gz YXHCPBYCJFYXCV-MRXNPFEDSA-N 0 3 290.407 3.058 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000248877842 334320364 /nfs/dbraw/zinc/32/03/64/334320364.db2.gz JWWHNDJOQMGUIT-BZUAXINKSA-N 0 3 287.407 3.088 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000090451310 334361436 /nfs/dbraw/zinc/36/14/36/334361436.db2.gz UVJRCDFOCZQGPQ-SNVBAGLBSA-N 0 3 273.298 3.347 20 30 CGEDHN C=CCC[C@@H](NC[C@@H](CO)C(C)C)c1ccco1 ZINC000554373392 334425937 /nfs/dbraw/zinc/42/59/37/334425937.db2.gz HBWIWIAUGRWDNJ-UONOGXRCSA-N 0 3 251.370 3.141 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OC3CCCC3)nc2)C1 ZINC000566849339 334666680 /nfs/dbraw/zinc/66/66/80/334666680.db2.gz WDYMSFVDUHFICY-DZGCQCFKSA-N 0 3 285.391 3.185 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000192599012 335280963 /nfs/dbraw/zinc/28/09/63/335280963.db2.gz MRMPWSWGODZZKE-YJBOKZPZSA-N 0 3 298.430 3.316 20 30 CGEDHN Cc1ccc(OCCCNCc2ccc(C#N)s2)cc1 ZINC000176959759 335345292 /nfs/dbraw/zinc/34/52/92/335345292.db2.gz DWRGKWNNEHUGRE-UHFFFAOYSA-N 0 3 286.400 3.487 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1nccc2ccccc21 ZINC000580920773 335984076 /nfs/dbraw/zinc/98/40/76/335984076.db2.gz NGDACBRBCIJTQF-CQSZACIVSA-N 0 3 270.376 3.478 20 30 CGEDHN CC[C@H](C)[C@@H](C)N(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000581421064 336074409 /nfs/dbraw/zinc/07/44/09/336074409.db2.gz JLFSRABOHGGSAU-UONOGXRCSA-N 0 3 299.418 3.396 20 30 CGEDHN CC(C)(C)OCCCCN1CCC(C)(C#N)CC1 ZINC000355279407 517386900 /nfs/dbraw/zinc/38/69/00/517386900.db2.gz NAJXQRXGSAPJDY-UHFFFAOYSA-N 0 3 252.402 3.207 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000347056336 534283306 /nfs/dbraw/zinc/28/33/06/534283306.db2.gz BKORHKQMYTVLLP-BDAKNGLRSA-N 0 3 270.254 3.042 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000411465261 518177123 /nfs/dbraw/zinc/17/71/23/518177123.db2.gz WGQDCCWXVACOPQ-KBPBESRZSA-N 0 3 268.364 3.215 20 30 CGEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000052660325 522029396 /nfs/dbraw/zinc/02/93/96/522029396.db2.gz ZDUQXWLHHZOGQE-SFHVURJKSA-N 0 3 297.377 3.090 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)cs1 ZINC000084227878 524387797 /nfs/dbraw/zinc/38/77/97/524387797.db2.gz MOCYIHVMQFWODB-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C[C@H](N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000157743933 525624938 /nfs/dbraw/zinc/62/49/38/525624938.db2.gz FTVZJJKJCPQJLW-YLVFBTJISA-N 0 3 288.366 3.306 20 30 CGEDHN C=CCN(CCOc1ccc(C#N)cc1)CCc1ccco1 ZINC000352701522 526308000 /nfs/dbraw/zinc/30/80/00/526308000.db2.gz JUSMEUKXOLTFMH-UHFFFAOYSA-N 0 3 296.370 3.261 20 30 CGEDHN C=CCN(CCc1ccco1)CCc1c(C)noc1C ZINC000352702267 526325754 /nfs/dbraw/zinc/32/57/54/526325754.db2.gz VBVBBFCTKWHAGF-UHFFFAOYSA-N 0 3 274.364 3.158 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000352702436 526327166 /nfs/dbraw/zinc/32/71/66/526327166.db2.gz WRIYZXRWJFMQAC-UHFFFAOYSA-N 0 3 286.331 3.419 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCN(C2CC2)C1)c1ccco1 ZINC000353513957 527451284 /nfs/dbraw/zinc/45/12/84/527451284.db2.gz GGFNPDVPHMQZAX-DZGCQCFKSA-N 0 3 260.381 3.113 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000334788624 527499142 /nfs/dbraw/zinc/49/91/42/527499142.db2.gz YYBLHCGEUYBEGP-KBPBESRZSA-N 0 3 272.417 3.177 20 30 CGEDHN CCCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437439183 528360552 /nfs/dbraw/zinc/36/05/52/528360552.db2.gz NPUOTTORYCTCOV-UHFFFAOYSA-N 0 3 268.307 3.392 20 30 CGEDHN CCN(CCOc1ccc(C#N)cc1)Cc1occc1C ZINC000412047459 528573447 /nfs/dbraw/zinc/57/34/47/528573447.db2.gz VADMWVDCTUCEIY-UHFFFAOYSA-N 0 3 284.359 3.361 20 30 CGEDHN CC(C)Cc1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000344335610 528657904 /nfs/dbraw/zinc/65/79/04/528657904.db2.gz FCVAIXMHUMMVLG-STQMWFEESA-N 0 3 258.365 3.222 20 30 CGEDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCCC(C)(C)C#N ZINC000350473144 529285580 /nfs/dbraw/zinc/28/55/80/529285580.db2.gz FLJQVNBDUNDQGO-HOTGVXAUSA-N 0 3 293.455 3.038 20 30 CGEDHN CC[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000359029830 529298523 /nfs/dbraw/zinc/29/85/23/529298523.db2.gz UPJBHKAYVPVPFZ-CQSZACIVSA-N 0 3 267.376 3.433 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCCCC2 ZINC000519015550 535410892 /nfs/dbraw/zinc/41/08/92/535410892.db2.gz GAWHGLBNBSGCFU-IAGOWNOFSA-N 0 3 299.418 3.171 20 30 CGEDHN COc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1 ZINC000093492578 536898315 /nfs/dbraw/zinc/89/83/15/536898315.db2.gz FGBBOFABWUWFTI-NSHDSACASA-N 0 3 272.373 3.479 20 30 CGEDHN C=CCN(C(=O)c1cccc(CN2CCCC2)c1)C(C)C ZINC000728868657 571844296 /nfs/dbraw/zinc/84/42/96/571844296.db2.gz LMAUFHOQFBYCLM-UHFFFAOYSA-N 0 3 286.419 3.319 20 30 CGEDHN CO[C@H](C)CC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421881 572352394 /nfs/dbraw/zinc/35/23/94/572352394.db2.gz RADWTRCRKLYWJV-SCZZXKLOSA-N 0 3 292.335 3.037 20 30 CGEDHN CS[C@@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422091 572352679 /nfs/dbraw/zinc/35/26/79/572352679.db2.gz TXDGNHWFSLGQCZ-CBAPKCEASA-N 0 3 294.376 3.363 20 30 CGEDHN C=CC[C@H](NCc1ccc(C#N)cc1)c1ccncc1 ZINC000734508726 572661926 /nfs/dbraw/zinc/66/19/26/572661926.db2.gz CVUXDPVNJPVBAM-KRWDZBQOSA-N 0 3 263.344 3.360 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000744211621 572723554 /nfs/dbraw/zinc/72/35/54/572723554.db2.gz XSUHCLNVOPOXEM-LJQANCHMSA-N 0 3 281.399 3.451 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000744213816 572724210 /nfs/dbraw/zinc/72/42/10/572724210.db2.gz ILOHKMTVEORODF-KRWDZBQOSA-N 0 3 293.357 3.266 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CCSCC3)nc21 ZINC000735790560 572740394 /nfs/dbraw/zinc/74/03/94/572740394.db2.gz NGCPAPJEMFVJEM-GFCCVEGCSA-N 0 3 299.399 3.191 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C3CCSCC3)[nH]c21 ZINC000735790560 572740398 /nfs/dbraw/zinc/74/03/98/572740398.db2.gz NGCPAPJEMFVJEM-GFCCVEGCSA-N 0 3 299.399 3.191 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCc3ccco3)nc21 ZINC000735792774 572742097 /nfs/dbraw/zinc/74/20/97/572742097.db2.gz NMOIBBLQAAVYHC-CYBMUJFWSA-N 0 3 293.326 3.273 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCc3ccco3)[nH]c21 ZINC000735792774 572742101 /nfs/dbraw/zinc/74/21/01/572742101.db2.gz NMOIBBLQAAVYHC-CYBMUJFWSA-N 0 3 293.326 3.273 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)C3CC3)nc21 ZINC000749038410 572988636 /nfs/dbraw/zinc/98/86/36/572988636.db2.gz QVRTYWLTKVJKRN-CMPLNLGQSA-N 0 3 267.332 3.094 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)C3CC3)[nH]c21 ZINC000749038410 572988637 /nfs/dbraw/zinc/98/86/37/572988637.db2.gz QVRTYWLTKVJKRN-CMPLNLGQSA-N 0 3 267.332 3.094 20 30 CGEDHN CN(CCC1CC1)Cc1cc(Cl)ccc1OCC#N ZINC000749532395 573017123 /nfs/dbraw/zinc/01/71/23/573017123.db2.gz XRRARHZKVOACHS-UHFFFAOYSA-N 0 3 278.783 3.474 20 30 CGEDHN C=CCCC[C@H](C)[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823894064 608383918 /nfs/dbraw/zinc/38/39/18/608383918.db2.gz GNVCJBFSRKNNEF-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@H](C)[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823894064 608383920 /nfs/dbraw/zinc/38/39/20/608383920.db2.gz GNVCJBFSRKNNEF-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@H](C)[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823894064 608383922 /nfs/dbraw/zinc/38/39/22/608383922.db2.gz GNVCJBFSRKNNEF-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@H](C)[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823894064 608383924 /nfs/dbraw/zinc/38/39/24/608383924.db2.gz GNVCJBFSRKNNEF-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000947968382 613234475 /nfs/dbraw/zinc/23/44/75/613234475.db2.gz YQFDVLSNEJEHGI-CRAIPNDOSA-N 0 3 298.430 3.026 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C(C)C)C[C@H]1C ZINC000947369465 613238043 /nfs/dbraw/zinc/23/80/43/613238043.db2.gz MNJDQFAUJFJCBN-HZPDHXFCSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C)oc2C)CC1 ZINC000980689477 613255002 /nfs/dbraw/zinc/25/50/02/613255002.db2.gz FHCNFCLJILANHP-UHFFFAOYSA-N 0 3 290.407 3.011 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974914095 613338014 /nfs/dbraw/zinc/33/80/14/613338014.db2.gz FWOAUXFHYQZTQQ-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C(C)(C)C)C[C@H]2C1 ZINC000980226194 613380502 /nfs/dbraw/zinc/38/05/02/613380502.db2.gz PGYKGSQQSVGJRM-IHRRRGAJSA-N 0 3 298.858 3.002 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2csc(C)c2C)CC1 ZINC000981240489 613499188 /nfs/dbraw/zinc/49/91/88/613499188.db2.gz KXRKOVOPCJUYSC-UHFFFAOYSA-N 0 3 292.448 3.089 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000941157526 613746916 /nfs/dbraw/zinc/74/69/16/613746916.db2.gz DHAYLQYOCMUTTN-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000940673597 613779590 /nfs/dbraw/zinc/77/95/90/613779590.db2.gz PSAHHUVHXBVCAJ-AWEZNQCLSA-N 0 3 294.414 3.187 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C[C@H]1C ZINC000948078862 613791361 /nfs/dbraw/zinc/79/13/61/613791361.db2.gz PICJWNZVPNUQMC-KDOFPFPSSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2sccc2Cl)C[C@@H]1C ZINC000947329265 613801988 /nfs/dbraw/zinc/80/19/88/613801988.db2.gz WGRGUTFYFKQPRF-QWRGUYRKSA-N 0 3 298.839 3.170 20 30 CGEDHN COC(C)(C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000932368442 617687481 /nfs/dbraw/zinc/68/74/81/617687481.db2.gz DZROHMJRHZYRNZ-LBPRGKRZSA-N 0 3 265.784 3.095 20 30 CGEDHN C#C[C@H](N[C@H]1CCC[C@H](OC)C1)c1ccc(F)cc1 ZINC000812793597 617856008 /nfs/dbraw/zinc/85/60/08/617856008.db2.gz ZMIGWPOESOSMRU-JYJNAYRXSA-N 0 3 261.340 3.047 20 30 CGEDHN C=C(C)c1cccc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000900280293 620776755 /nfs/dbraw/zinc/77/67/55/620776755.db2.gz ZKDOUGCYJSNGSH-LLVKDONJSA-N 0 3 298.264 3.097 20 30 CGEDHN C#CCC1(NCc2nc3c(cccc3F)n2CC)CCC1 ZINC000933297292 618194046 /nfs/dbraw/zinc/19/40/46/618194046.db2.gz GJENYBATBLFQEW-UHFFFAOYSA-N 0 3 285.366 3.231 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cccc(Cl)c2)CCC1 ZINC000933304062 618198055 /nfs/dbraw/zinc/19/80/55/618198055.db2.gz YIAMFVGUCASMCK-LBPRGKRZSA-N 0 3 290.794 3.203 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cnc(-c2ccccc2)o1 ZINC000934461597 618624629 /nfs/dbraw/zinc/62/46/29/618624629.db2.gz YXVCQGIZXDXBRX-CQSZACIVSA-N 0 3 254.333 3.492 20 30 CGEDHN C=CCN1CCC(Nc2cc(C3CC3)nc(C3CC3)n2)CC1 ZINC000892396692 618756334 /nfs/dbraw/zinc/75/63/34/618756334.db2.gz KCWXAEYEOSPJPV-UHFFFAOYSA-N 0 3 298.434 3.294 20 30 CGEDHN C[C@@H](C[C@H](O)c1ccc(F)cc1)NCC#Cc1ccccc1 ZINC000893267203 619054082 /nfs/dbraw/zinc/05/40/82/619054082.db2.gz KTCRKKZXKQWJNB-KXBFYZLASA-N 0 3 297.373 3.279 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000893607785 619236094 /nfs/dbraw/zinc/23/60/94/619236094.db2.gz ZUNCRWDMAPQMOV-UPJWGTAASA-N 0 3 252.402 3.250 20 30 CGEDHN C#C[C@H](NCC1CCC(OC)CC1)c1ccc(F)cc1 ZINC000894575693 619580301 /nfs/dbraw/zinc/58/03/01/619580301.db2.gz USTICUZNFJPQMZ-IMRCBTMISA-N 0 3 275.367 3.295 20 30 CGEDHN C=CCCCCCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000894833373 619646708 /nfs/dbraw/zinc/64/67/08/619646708.db2.gz SURAPVXVJABVLE-CVEARBPZSA-N 0 3 293.455 3.001 20 30 CGEDHN C#CCOc1ccccc1CNCCOc1ccc(C)cc1 ZINC000060817920 619720832 /nfs/dbraw/zinc/72/08/32/619720832.db2.gz ZPDRDSWVJVKWPQ-UHFFFAOYSA-N 0 3 295.382 3.176 20 30 CGEDHN COc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237236446 619744177 /nfs/dbraw/zinc/74/41/77/619744177.db2.gz TYYKNKXRJVOTDW-CQSZACIVSA-N 0 3 296.370 3.276 20 30 CGEDHN C=CCC1(O)CCN(c2ccnc3ccc(OC)cc32)CC1 ZINC000895231204 619786783 /nfs/dbraw/zinc/78/67/83/619786783.db2.gz WHTYBNAGRSCZBZ-UHFFFAOYSA-N 0 3 298.386 3.151 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC2(C)C)c([O-])c1 ZINC000840704959 620072032 /nfs/dbraw/zinc/07/20/32/620072032.db2.gz BHJKXWKQZPMVDX-YAJBTMAUSA-N 0 3 290.407 3.225 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)n1 ZINC000897629929 620414528 /nfs/dbraw/zinc/41/45/28/620414528.db2.gz PEBJMZISIPEOOL-TZMCWYRMSA-N 0 3 298.415 3.226 20 30 CGEDHN C=CCCCN(CC)Cc1cc2c(cc[nH]c2=O)o1 ZINC000898244292 620496533 /nfs/dbraw/zinc/49/65/33/620496533.db2.gz FVVNOZVKWPKLGX-UHFFFAOYSA-N 0 3 260.337 3.322 20 30 CGEDHN C[C@@H](NCCc1cc(F)cc(F)c1)c1cc(C#N)ccn1 ZINC000902783656 621439265 /nfs/dbraw/zinc/43/92/65/621439265.db2.gz HVRSSLBVQXAWSQ-LLVKDONJSA-N 0 3 287.313 3.125 20 30 CGEDHN Cc1ccccc1OCCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902794322 621449369 /nfs/dbraw/zinc/44/93/69/621449369.db2.gz VQDFQSCOKHZSSM-HNNXBMFYSA-N 0 3 295.386 3.381 20 30 CGEDHN Cc1cccc(O[C@@H](C)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902819049 621453881 /nfs/dbraw/zinc/45/38/81/621453881.db2.gz FFODNSIFIPTJLY-GJZGRUSLSA-N 0 3 295.386 3.380 20 30 CGEDHN C[C@@H](NC[C@H](C)Oc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902820325 621455676 /nfs/dbraw/zinc/45/56/76/621455676.db2.gz AZGICRYRKJPBQC-QWHCGFSZSA-N 0 3 299.349 3.210 20 30 CGEDHN C[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(C#N)cc1F ZINC000902966576 621501639 /nfs/dbraw/zinc/50/16/39/621501639.db2.gz XSNDOOHJHJPDLN-UZCIPKQKSA-N 0 3 296.345 3.006 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903007812 621531997 /nfs/dbraw/zinc/53/19/97/621531997.db2.gz IMXOYRLRJPZCFL-BIMULSAOSA-N 0 3 286.297 3.095 20 30 CGEDHN Cc1cc(C)c([C@@H](C)NCC2(C#N)CCC2)c(O)c1 ZINC000903033664 621535824 /nfs/dbraw/zinc/53/58/24/621535824.db2.gz XDXFKLNABBWAEA-CYBMUJFWSA-N 0 3 258.365 3.354 20 30 CGEDHN C=CCC[C@H](NCc1ccn(CC)n1)[C@@]1(C)CCCCO1 ZINC000903020430 621542059 /nfs/dbraw/zinc/54/20/59/621542059.db2.gz ZSYMRKPCZKIGHK-DLBZAZTESA-N 0 3 291.439 3.287 20 30 CGEDHN Cc1ccc(C[C@@H](NCC2(C#N)CC2)C(C)C)cc1 ZINC000903105442 621578169 /nfs/dbraw/zinc/57/81/69/621578169.db2.gz CIXXABUFBGFNEN-MRXNPFEDSA-N 0 3 256.393 3.456 20 30 CGEDHN N#CC1(CN[C@H]2CCCCc3ccccc3C2)CC1 ZINC000903108956 621582334 /nfs/dbraw/zinc/58/23/34/621582334.db2.gz JBGWEELGKJBHPE-INIZCTEOSA-N 0 3 254.377 3.217 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H]1CCCc2ccc(OC)c(Cl)c21 ZINC000903154784 621599780 /nfs/dbraw/zinc/59/97/80/621599780.db2.gz WPTOBYMZQGOQAZ-QWHCGFSZSA-N 0 3 295.810 3.253 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccn2)C2CC2)C1 ZINC000903335470 621692930 /nfs/dbraw/zinc/69/29/30/621692930.db2.gz QCHANSPTQJIKIT-XPKDYRNWSA-N 0 3 255.365 3.205 20 30 CGEDHN CC(C)c1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905087165 622033571 /nfs/dbraw/zinc/03/35/71/622033571.db2.gz WNJMYXADPXBXHN-KSSSLANASA-N 0 3 267.332 3.242 20 30 CGEDHN CCc1cccc(Cl)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905085827 622033727 /nfs/dbraw/zinc/03/37/27/622033727.db2.gz PIDRHVZOQYUOPU-MXFUOJGSSA-N 0 3 287.750 3.335 20 30 CGEDHN C#CCCOc1ccc(CN2CCC[C@H](OCC)C2)cc1 ZINC000155459771 622357682 /nfs/dbraw/zinc/35/76/82/622357682.db2.gz HLHFEXBEBXOLDA-SFHVURJKSA-N 0 3 287.403 3.090 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(N)cc1 ZINC000911659581 622541054 /nfs/dbraw/zinc/54/10/54/622541054.db2.gz CZSHXRPHDODYQL-OAHLLOKOSA-N 0 3 277.412 3.285 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000769963574 625580635 /nfs/dbraw/zinc/58/06/35/625580635.db2.gz WSWFSYVLIMECRH-JTQLQIEISA-N 0 3 257.255 3.039 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1CCC ZINC000912238466 622618677 /nfs/dbraw/zinc/61/86/77/622618677.db2.gz ZROZKYSAXTUQIR-CQSZACIVSA-N 0 3 260.381 3.261 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)c1ccc(C)cc1 ZINC000912256539 622621848 /nfs/dbraw/zinc/62/18/48/622621848.db2.gz XWGGCBQAKKJERS-OAHLLOKOSA-N 0 3 260.381 3.032 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1OC(C)C ZINC000912325769 622636603 /nfs/dbraw/zinc/63/66/03/622636603.db2.gz JPUZLEKBMJPMIE-CYBMUJFWSA-N 0 3 276.380 3.096 20 30 CGEDHN COc1cc(C)cc(CN(C)Cc2cccc(C#N)c2)c1O ZINC000163968992 622810787 /nfs/dbraw/zinc/81/07/87/622810787.db2.gz KOSOTEIALJTXBU-UHFFFAOYSA-N 0 3 296.370 3.213 20 30 CGEDHN C#CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000169043747 623021302 /nfs/dbraw/zinc/02/13/02/623021302.db2.gz MRQUULIKQZOXCO-UHFFFAOYSA-N 0 3 296.336 3.241 20 30 CGEDHN N#Cc1ccccc1CSCC[NH2+]Cc1ccccc1[O-] ZINC000171128810 623135695 /nfs/dbraw/zinc/13/56/95/623135695.db2.gz BNCQIZHXOMZFTR-UHFFFAOYSA-N 0 3 298.411 3.287 20 30 CGEDHN C#CCN(CCCOC(C)C)Cc1ccc(F)cc1 ZINC000171500409 623168255 /nfs/dbraw/zinc/16/82/55/623168255.db2.gz IXCVGALQZFBBLE-UHFFFAOYSA-N 0 3 263.356 3.076 20 30 CGEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000173969033 623350557 /nfs/dbraw/zinc/35/05/57/623350557.db2.gz WBZBUHHHDSVGIE-IUODEOHRSA-N 0 3 286.375 3.333 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)C3CCCC3)CCC[C@H]12 ZINC000992409784 623543143 /nfs/dbraw/zinc/54/31/43/623543143.db2.gz ULGNERYXQVMXAK-UWWQBHOKSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](O)c1ccsc1 ZINC000152542939 623688795 /nfs/dbraw/zinc/68/87/95/623688795.db2.gz XFJOVZVOQFLCOU-OAHLLOKOSA-N 0 3 289.400 3.136 20 30 CGEDHN C[C@H]1CC(N=Nc2ccccc2Cl)CN1C1CC1 ZINC000753954456 623739957 /nfs/dbraw/zinc/73/99/57/623739957.db2.gz BQPNOBAANULAAW-JTQLQIEISA-N 0 3 263.772 3.365 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993312492 624010591 /nfs/dbraw/zinc/01/05/91/624010591.db2.gz NGDSFAXJZHXNCS-HOCLYGCPSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993619662 624055593 /nfs/dbraw/zinc/05/55/93/624055593.db2.gz BUXCYLKFMDMAHD-GOEBONIOSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000993996163 624067394 /nfs/dbraw/zinc/06/73/94/624067394.db2.gz QQTGKYWYRGHGFJ-DZGCQCFKSA-N 0 3 292.448 3.215 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1O ZINC000179882870 624694717 /nfs/dbraw/zinc/69/47/17/624694717.db2.gz ZCDDIWXISISTDI-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN Cc1ccc(O[C@@H](C)CNCc2csc(C#N)c2)cc1 ZINC000921791238 625876364 /nfs/dbraw/zinc/87/63/64/625876364.db2.gz RPTXOUYEJQUWCE-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001000732112 625880026 /nfs/dbraw/zinc/88/00/26/625880026.db2.gz XYPDTRANLDMGFL-QGZVFWFLSA-N 0 3 288.435 3.057 20 30 CGEDHN C[C@@H]1CCN(Cc2cncc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000929259534 625955398 /nfs/dbraw/zinc/95/53/98/625955398.db2.gz GAAMXJDOVGLWTO-XYPHTWIQSA-N 0 3 269.392 3.354 20 30 CGEDHN C=CCN(CC=C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929260135 625964978 /nfs/dbraw/zinc/96/49/78/625964978.db2.gz UOBBTMAGINIKMY-RYUDHWBXSA-N 0 3 263.303 3.160 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001005407137 626090037 /nfs/dbraw/zinc/09/00/37/626090037.db2.gz MOGGETGVJBQNHI-GOEBONIOSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nc3c(s2)COCC3)C1 ZINC000922960203 626107275 /nfs/dbraw/zinc/10/72/75/626107275.db2.gz KSFOYSGRDPOQJH-RYUDHWBXSA-N 0 3 278.421 3.050 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(C)CCCCC2)CC1 ZINC001005935263 626133057 /nfs/dbraw/zinc/13/30/57/626133057.db2.gz QDSBOYSWKBXAMU-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CC(C)N1CCCC[C@H]1COC(=O)c1ccsc1C#N ZINC000923566302 626164111 /nfs/dbraw/zinc/16/41/11/626164111.db2.gz KCNDDMBTAFDVTN-LBPRGKRZSA-N 0 3 292.404 3.039 20 30 CGEDHN C#CCC[C@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000839042491 626308614 /nfs/dbraw/zinc/30/86/14/626308614.db2.gz WDRIGHVAEOGFEO-HNNXBMFYSA-N 0 3 285.387 3.241 20 30 CGEDHN C#CCOCCN[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000753772734 626465357 /nfs/dbraw/zinc/46/53/57/626465357.db2.gz ZURUPZAGNJZDCF-OAHLLOKOSA-N 0 3 283.774 3.416 20 30 CGEDHN c1ccc(C(CC2CC2)=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753937080 626469409 /nfs/dbraw/zinc/46/94/09/626469409.db2.gz CAJUGWJTBRFBMJ-HZPDHXFCSA-N 0 3 296.418 3.051 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000753965757 626470423 /nfs/dbraw/zinc/47/04/23/626470423.db2.gz HDKLRBCZWXOHTK-JTQLQIEISA-N 0 3 263.772 3.365 20 30 CGEDHN C=C(Br)CN[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000755121936 626601242 /nfs/dbraw/zinc/60/12/42/626601242.db2.gz XZHRJOAXLVLNKZ-JTNHKYCSSA-N 0 3 296.208 3.438 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1nccc2sccc21 ZINC000755890591 626657189 /nfs/dbraw/zinc/65/71/89/626657189.db2.gz NHHKZLTUYSSSCE-SNVBAGLBSA-N 0 3 286.404 3.178 20 30 CGEDHN CCCCCCCCN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000756896552 626739796 /nfs/dbraw/zinc/73/97/96/626739796.db2.gz LCBDEOIFBFHCBG-JKSUJKDBSA-N 0 3 269.429 3.227 20 30 CGEDHN C#CC[C@@H](NCc1n[nH]c2ccccc12)c1ccccc1 ZINC000756995996 626746196 /nfs/dbraw/zinc/74/61/96/626746196.db2.gz BXRUMRPODUEYMT-MRXNPFEDSA-N 0 3 275.355 3.417 20 30 CGEDHN C#CC[C@@H](NCc1[nH]nc2ccccc21)c1ccccc1 ZINC000756995996 626746198 /nfs/dbraw/zinc/74/61/98/626746198.db2.gz BXRUMRPODUEYMT-MRXNPFEDSA-N 0 3 275.355 3.417 20 30 CGEDHN C=C(Cl)CN[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000839602970 626764783 /nfs/dbraw/zinc/76/47/83/626764783.db2.gz VMIPBBSJMJJNGZ-ZIAGYGMSSA-N 0 3 253.773 3.087 20 30 CGEDHN C#CC[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000757610584 626793360 /nfs/dbraw/zinc/79/33/60/626793360.db2.gz DBRWDMWHMDHGEM-SJLPKXTDSA-N 0 3 298.430 3.132 20 30 CGEDHN C=CC[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000758004362 626820718 /nfs/dbraw/zinc/82/07/18/626820718.db2.gz YNBYUJZHCPPGLN-QGZVFWFLSA-N 0 3 283.371 3.086 20 30 CGEDHN CC(=NNCc1ccccc1)c1ccc(N)cc1C ZINC000758095291 626826293 /nfs/dbraw/zinc/82/62/93/626826293.db2.gz IWQFGTRJWKPPSM-UHFFFAOYSA-N 0 3 253.349 3.091 20 30 CGEDHN CC(=NNCCCOc1ccccc1)c1ccc(N)cc1C ZINC000758120130 626828492 /nfs/dbraw/zinc/82/84/92/626828492.db2.gz JNZQUNFWIVMGMU-UHFFFAOYSA-N 0 3 297.402 3.360 20 30 CGEDHN COc1ccc(CNC(C)(C)c2ccc(C)nc2)cc1C#N ZINC000759187856 626878994 /nfs/dbraw/zinc/87/89/94/626878994.db2.gz QQMOYSUVBWSRGN-UHFFFAOYSA-N 0 3 295.386 3.295 20 30 CGEDHN N#CCOc1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000766191276 627301282 /nfs/dbraw/zinc/30/12/82/627301282.db2.gz RPFLKGFWKNIPDZ-UHFFFAOYSA-N 0 3 280.318 3.066 20 30 CGEDHN N#CC(C(=O)CCC(=O)c1cccc(F)c1)c1ccccn1 ZINC000767431061 627408004 /nfs/dbraw/zinc/40/80/04/627408004.db2.gz BBYCRJBYTIMHIH-CQSZACIVSA-N 0 3 296.301 3.060 20 30 CGEDHN C#CCCOc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1 ZINC000769142310 627525566 /nfs/dbraw/zinc/52/55/66/627525566.db2.gz UNDZPKPPYBNDNW-GJZGRUSLSA-N 0 3 289.444 3.415 20 30 CGEDHN C=CC[C@H](N[C@@H](C)c1cccnc1)c1ccncc1 ZINC000771390713 627706218 /nfs/dbraw/zinc/70/62/18/627706218.db2.gz QAEWVHOMAHODGX-BBRMVZONSA-N 0 3 253.349 3.445 20 30 CGEDHN C#CCCCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772710836 627817000 /nfs/dbraw/zinc/81/70/00/627817000.db2.gz KZDRGUXUYLULOR-UHFFFAOYSA-N 0 3 299.414 3.245 20 30 CGEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000773977206 627934255 /nfs/dbraw/zinc/93/42/55/627934255.db2.gz UTNIFORSEFJGBY-TZMCWYRMSA-N 0 3 286.375 3.406 20 30 CGEDHN C#CCN(C[C@@H]1CCC=CO1)[C@H]1CCc2ccccc21 ZINC000774816333 628034145 /nfs/dbraw/zinc/03/41/45/628034145.db2.gz ZNZSAZZIAXEZER-WMZOPIPTSA-N 0 3 267.372 3.302 20 30 CGEDHN C#CCN(C[C@@H]1CCC=CO1)[C@@H]1CCc2ccccc21 ZINC000774816327 628034157 /nfs/dbraw/zinc/03/41/57/628034157.db2.gz ZNZSAZZIAXEZER-FUHWJXTLSA-N 0 3 267.372 3.302 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000775260765 628076209 /nfs/dbraw/zinc/07/62/09/628076209.db2.gz CVEJVHHCNFSQGH-UONOGXRCSA-N 0 3 286.375 3.096 20 30 CGEDHN C#C[C@H](NCc1cc2ccccc2s1)[C@@H]1CCCO1 ZINC000775346537 628085592 /nfs/dbraw/zinc/08/55/92/628085592.db2.gz UUZQNASIVQBMST-GJZGRUSLSA-N 0 3 271.385 3.172 20 30 CGEDHN C#CC[C@H](NCC[S@@](=O)c1ccccc1)c1ccccc1 ZINC000775404410 628091555 /nfs/dbraw/zinc/09/15/55/628091555.db2.gz MPGFYFUCLVOKCO-GHTZIAJQSA-N 0 3 297.423 3.148 20 30 CGEDHN C#C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)[C@@H]1CCCO1 ZINC000775571231 628108001 /nfs/dbraw/zinc/10/80/01/628108001.db2.gz DCKLKIUZOYYTGO-BBWFWOEESA-N 0 3 269.388 3.179 20 30 CGEDHN C#C[C@H](N[C@H](CCC)c1ccccc1)[C@@H]1CCCO1 ZINC000775572057 628109206 /nfs/dbraw/zinc/10/92/06/628109206.db2.gz OKVQKAXVYHQWPN-BBWFWOEESA-N 0 3 257.377 3.298 20 30 CGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(Cl)c(F)c1 ZINC000776186784 628177334 /nfs/dbraw/zinc/17/73/34/628177334.db2.gz SMUVARSVCBKVEP-UHFFFAOYSA-N 0 3 292.745 3.386 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000778232404 628336036 /nfs/dbraw/zinc/33/60/36/628336036.db2.gz UYZLJKILUYAFOK-ZDUSSCGKSA-N 0 3 273.298 3.247 20 30 CGEDHN CCCCCCN(C)CC(=O)C(C#N)c1nc(C)cs1 ZINC000778596118 628359993 /nfs/dbraw/zinc/35/99/93/628359993.db2.gz RUORPKAGEKTXKK-CYBMUJFWSA-N 0 3 293.436 3.140 20 30 CGEDHN C#CCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000805773541 628853457 /nfs/dbraw/zinc/85/34/57/628853457.db2.gz WNUPFBWVZFMXOD-NSHDSACASA-N 0 3 255.283 3.201 20 30 CGEDHN C#CCN(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000805773538 628853501 /nfs/dbraw/zinc/85/35/01/628853501.db2.gz WNUPFBWVZFMXOD-LLVKDONJSA-N 0 3 255.283 3.201 20 30 CGEDHN C#CCOc1ccc(CNCc2cscc2C)cc1 ZINC000785522747 628869027 /nfs/dbraw/zinc/86/90/27/628869027.db2.gz USRHNLZIKKCMAZ-UHFFFAOYSA-N 0 3 271.385 3.358 20 30 CGEDHN C#CCN1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000805838514 629013010 /nfs/dbraw/zinc/01/30/10/629013010.db2.gz VTHGMDOJVLAQNA-UHFFFAOYSA-N 0 3 256.324 3.120 20 30 CGEDHN C#C[C@H](CC)/N=C\c1ccc(N(CC)CC)cc1O ZINC000792570858 629367198 /nfs/dbraw/zinc/36/71/98/629367198.db2.gz SYMYZOCCUBSOFJ-MTOJCTJASA-N 0 3 258.365 3.069 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@H](C(N)=O)c1ccccc1 ZINC000793522309 629473977 /nfs/dbraw/zinc/47/39/77/629473977.db2.gz FPDBRMNCGKGYFZ-ZBFHGGJFSA-N 0 3 274.408 3.328 20 30 CGEDHN CCCCCCCN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000794755774 629576021 /nfs/dbraw/zinc/57/60/21/629576021.db2.gz ZLTGWTLPPUZJMM-OAHLLOKOSA-N 0 3 289.485 3.246 20 30 CGEDHN C=C(Br)CN(CC1CC1)CC1CCC1 ZINC000796576160 629801874 /nfs/dbraw/zinc/80/18/74/629801874.db2.gz VEMROFKBHYRQQD-UHFFFAOYSA-N 0 3 258.203 3.407 20 30 CGEDHN CC1(C)OCc2cc(CNCC3(CC#N)CC3)ccc2O1 ZINC000797603862 629969993 /nfs/dbraw/zinc/96/99/93/629969993.db2.gz CREZCLFDFJARDS-UHFFFAOYSA-N 0 3 286.375 3.115 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc(C(C)(C)C)cs1 ZINC000865608701 630218082 /nfs/dbraw/zinc/21/80/82/630218082.db2.gz NCEGPBNLWHGYDI-RYUDHWBXSA-N 0 3 280.437 3.121 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2Cc3ccc(Cl)cc3C2)o1 ZINC000800288484 630262453 /nfs/dbraw/zinc/26/24/53/630262453.db2.gz QBAXOGXIFDLLLN-CYBMUJFWSA-N 0 3 272.735 3.062 20 30 CGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000800384936 630270361 /nfs/dbraw/zinc/27/03/61/630270361.db2.gz NJAZZUTZWOQYBF-DZGCQCFKSA-N 0 3 286.375 3.469 20 30 CGEDHN C[C@@H]1CC[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000800809214 630300348 /nfs/dbraw/zinc/30/03/48/630300348.db2.gz FZSGFMKINNTTQO-CHWSQXEVSA-N 0 3 254.337 3.215 20 30 CGEDHN C(#Cc1ccccc1)CN[C@H]1CCc2ccccc2OC1 ZINC000801574168 630345424 /nfs/dbraw/zinc/34/54/24/630345424.db2.gz CECFPACEUUTERP-SFHVURJKSA-N 0 3 277.367 3.022 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCNc1nc(Cl)c(C#N)s1 ZINC000804442437 630527354 /nfs/dbraw/zinc/52/73/54/630527354.db2.gz BZYKZKRBFRJKEY-AOOOYVTPSA-N 0 3 298.843 3.343 20 30 CGEDHN C#C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000809684219 630779627 /nfs/dbraw/zinc/77/96/27/630779627.db2.gz SJTODTOZWDVTOU-NSHDSACASA-N 0 3 286.356 3.435 20 30 CGEDHN C#C[C@H](C)NCc1ccc(-c2ccccc2OC)cc1 ZINC000809684161 630780034 /nfs/dbraw/zinc/78/00/34/630780034.db2.gz PUNJGVUMMSSMHW-AWEZNQCLSA-N 0 3 265.356 3.474 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(OCC(C)C)c1)C(C)C ZINC000809685874 630782004 /nfs/dbraw/zinc/78/20/04/630782004.db2.gz XABXKEQHOMKOSI-INIZCTEOSA-N 0 3 289.419 3.477 20 30 CGEDHN C#C[C@H](NCc1ccc(OCC)c(F)c1)C(C)(C)C ZINC000809781512 630806297 /nfs/dbraw/zinc/80/62/97/630806297.db2.gz UGPQDUQSUCGYLZ-HNNXBMFYSA-N 0 3 263.356 3.362 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCCSC3)nc21 ZINC000810590590 630898881 /nfs/dbraw/zinc/89/88/81/630898881.db2.gz QCKUXLSXTUEHFO-RYUDHWBXSA-N 0 3 299.399 3.191 20 30 CGEDHN C#Cc1ccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811510573 631078135 /nfs/dbraw/zinc/07/81/35/631078135.db2.gz KHIPRXVZDBINNP-DLBZAZTESA-N 0 3 269.388 3.057 20 30 CGEDHN CCCN(CCC)c1ccc(C=NNC[C@H](O)CC)cc1 ZINC000811656329 631100538 /nfs/dbraw/zinc/10/05/38/631100538.db2.gz JROTYHGZCSHSCI-QGZVFWFLSA-N 0 3 291.439 3.007 20 30 CGEDHN CC(C)(C)CCNN=C1CCCc2ccc(N)cc21 ZINC000814901230 631671565 /nfs/dbraw/zinc/67/15/65/631671565.db2.gz DSSKPGNXZIORAE-UHFFFAOYSA-N 0 3 259.397 3.335 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)(F)F ZINC000816045778 631866857 /nfs/dbraw/zinc/86/68/57/631866857.db2.gz XBWOCMWHFUSZEJ-NXEZZACHSA-N 0 3 289.285 3.097 20 30 CGEDHN C#CCN(C/C(C)=C/c1ccccc1COC)C1CC1 ZINC000816570046 632016110 /nfs/dbraw/zinc/01/61/10/632016110.db2.gz GFVHFXGANOUBOK-NTCAYCPXSA-N 0 3 269.388 3.334 20 30 CGEDHN CCC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccn1 ZINC000819018858 632366375 /nfs/dbraw/zinc/36/63/75/632366375.db2.gz YWWKNJBLNJUVGK-FUHWJXTLSA-N 0 3 295.386 3.118 20 30 CGEDHN C#Cc1cccc(CN[C@H]2CCCc3ncccc32)c1 ZINC000866370404 633107596 /nfs/dbraw/zinc/10/75/96/633107596.db2.gz VXFAYQOKYBXVRC-SFHVURJKSA-N 0 3 262.356 3.230 20 30 CGEDHN C=CCC[C@@H](CC)NCc1nn(C)cc1C(F)F ZINC000866562524 633194150 /nfs/dbraw/zinc/19/41/50/633194150.db2.gz CLTGOFFIGAINCV-SNVBAGLBSA-N 0 3 257.328 3.192 20 30 CGEDHN CC[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1[O-] ZINC000866617435 633216851 /nfs/dbraw/zinc/21/68/51/633216851.db2.gz JIOMNOKOPZNPGL-WMZOPIPTSA-N 0 3 292.382 3.472 20 30 CGEDHN C#C[C@H](NCc1cn(C)nc1-c1ccc(F)cc1)C(C)(C)C ZINC000824401081 633241021 /nfs/dbraw/zinc/24/10/21/633241021.db2.gz AVZFQKMUKYLPHI-INIZCTEOSA-N 0 3 299.393 3.364 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)CC ZINC000876560844 634858114 /nfs/dbraw/zinc/85/81/14/634858114.db2.gz OOKZTAOZKLSZTQ-DZGCQCFKSA-N 0 3 294.826 3.284 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000876593099 634864578 /nfs/dbraw/zinc/86/45/78/634864578.db2.gz XOMYTELZAVRTNJ-GJZGRUSLSA-N 0 3 292.810 3.128 20 30 CGEDHN C[C@]1(CCNCc2nc(C#N)cs2)CC1(Cl)Cl ZINC000824978703 633314090 /nfs/dbraw/zinc/31/40/90/633314090.db2.gz YUGVLGYOVZDKLM-JTQLQIEISA-N 0 3 290.219 3.078 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C2CCCCC2)CC1 ZINC000876599975 634865844 /nfs/dbraw/zinc/86/58/44/634865844.db2.gz CAHJUEWWXJMIFZ-HNNXBMFYSA-N 0 3 298.858 3.275 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](c1ccccc1)C(C)C ZINC000876602109 634866595 /nfs/dbraw/zinc/86/65/95/634866595.db2.gz HEQXYRXWBJAPRX-GJZGRUSLSA-N 0 3 294.826 3.012 20 30 CGEDHN C#CCN(CCCC(=O)CC)[C@@H]1CCc2ccccc21 ZINC000827484516 633494140 /nfs/dbraw/zinc/49/41/40/633494140.db2.gz ZCOHADCCWRHBMZ-GOSISDBHSA-N 0 3 269.388 3.368 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(OCc2ccccc2)cc1 ZINC000122994654 633539455 /nfs/dbraw/zinc/53/94/55/633539455.db2.gz IWQQTYFAWYLFGW-OAHLLOKOSA-N 0 3 265.356 3.377 20 30 CGEDHN C#CC[C@@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000829784925 633783527 /nfs/dbraw/zinc/78/35/27/633783527.db2.gz OCJZHUJNLHGECI-CJNGLKHVSA-N 0 3 277.795 3.109 20 30 CGEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000872129489 634050042 /nfs/dbraw/zinc/05/00/42/634050042.db2.gz CIRTUQOTTOPFAL-AGIUHOORSA-N 0 3 273.336 3.328 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872130464 634051606 /nfs/dbraw/zinc/05/16/06/634051606.db2.gz MTASVUPPMJHBHN-CKYFFXLPSA-N 0 3 283.297 3.443 20 30 CGEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccncc1 ZINC000834641295 634205711 /nfs/dbraw/zinc/20/57/11/634205711.db2.gz YUJOBUDCYWKLKX-QGZVFWFLSA-N 0 3 281.359 3.225 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834889669 634270065 /nfs/dbraw/zinc/27/00/65/634270065.db2.gz WFOWQOLNIOAXDX-WUWHUORYSA-N 0 3 277.339 3.013 20 30 CGEDHN CCN(C)c1ccc(C(C)=NN[C@H]2CCOC2(C)C)cc1 ZINC000835016885 634318727 /nfs/dbraw/zinc/31/87/27/634318727.db2.gz IORZESCOKXEXPD-INIZCTEOSA-N 0 3 289.423 3.024 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCC)c1ccccc1 ZINC000876561852 634857370 /nfs/dbraw/zinc/85/73/70/634857370.db2.gz UWLLBKBEEGECPF-ZIAGYGMSSA-N 0 3 280.799 3.114 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000876647032 634874404 /nfs/dbraw/zinc/87/44/04/634874404.db2.gz DKNVDJSDDTXZPF-HUUCEWRRSA-N 0 3 292.810 3.114 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1F)C(C)C ZINC000876962753 634938555 /nfs/dbraw/zinc/93/85/55/634938555.db2.gz VTGAZUVAXXEKHO-KGLIPLIRSA-N 0 3 298.789 3.109 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1CC1CCC1 ZINC000876975449 634942254 /nfs/dbraw/zinc/94/22/54/634942254.db2.gz HFEJDKZFEHUUGJ-KBPBESRZSA-N 0 3 284.831 3.028 20 30 CGEDHN CCN(CC)c1ccc(/C=N\CC(C)(F)F)c(O)c1 ZINC000840706772 635037712 /nfs/dbraw/zinc/03/77/12/635037712.db2.gz PLWUQLHZGKAPNE-MFOYZWKCSA-N 0 3 270.323 3.313 20 30 CGEDHN C#C[C@H](NCCC1CCOCC1)c1ccc(Cl)cc1 ZINC000877541055 635079293 /nfs/dbraw/zinc/07/92/93/635079293.db2.gz KYNADKIZYNYZAI-INIZCTEOSA-N 0 3 277.795 3.421 20 30 CGEDHN C#C[C@@H](NCC1CCSCC1)c1ccc(F)cc1 ZINC000877544838 635082695 /nfs/dbraw/zinc/08/26/95/635082695.db2.gz YOCOKCYGDJASAY-OAHLLOKOSA-N 0 3 263.381 3.233 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC2(C3CCC3)CCC2)c1 ZINC000877585682 635102343 /nfs/dbraw/zinc/10/23/43/635102343.db2.gz MKXWGMBRYXNXLH-UHFFFAOYSA-N 0 3 275.783 3.419 20 30 CGEDHN Cc1ccoc1CN(C)CCc1cccc(C#N)c1 ZINC000877704705 635157283 /nfs/dbraw/zinc/15/72/83/635157283.db2.gz SGTAKVARJZGCGV-UHFFFAOYSA-N 0 3 254.333 3.134 20 30 CGEDHN FC(F)CNN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841627221 635200754 /nfs/dbraw/zinc/20/07/54/635200754.db2.gz ZSOMZLXTQBJYJS-OAHLLOKOSA-N 0 3 293.361 3.197 20 30 CGEDHN C[C@@H](CC#N)NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841633098 635203032 /nfs/dbraw/zinc/20/30/32/635203032.db2.gz NBJFZEGISHKWNB-KSSFIOAISA-N 0 3 296.418 3.234 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CCCC[C@H]1C)c1ccccc1 ZINC000877935332 635279147 /nfs/dbraw/zinc/27/91/47/635279147.db2.gz JNDUFNZKSXFOTH-QAPCUYQASA-N 0 3 284.403 3.301 20 30 CGEDHN C#CCCCCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000878118323 635365052 /nfs/dbraw/zinc/36/50/52/635365052.db2.gz LWRLFBZRYHIHMW-CYBMUJFWSA-N 0 3 277.330 3.223 20 30 CGEDHN C[C@@H](NC[C@H]1CCC2(CCC2)O1)c1ccc(C#N)cc1F ZINC000878407451 635492222 /nfs/dbraw/zinc/49/22/22/635492222.db2.gz SATSGWPMAJXIIY-TZMCWYRMSA-N 0 3 288.366 3.450 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000879064294 635692839 /nfs/dbraw/zinc/69/28/39/635692839.db2.gz BHSVRAJSCXAAGQ-AYBZRNKSSA-N 0 3 296.414 3.068 20 30 CGEDHN C=C(Br)CNC[C@H]1C[C@H]1c1ccccc1 ZINC000127618914 635741590 /nfs/dbraw/zinc/74/15/90/635741590.db2.gz ZMQBRISEPHVCAQ-OLZOCXBDSA-N 0 3 266.182 3.288 20 30 CGEDHN N#CC(C(=O)CCCOCc1ccccc1)c1ccccn1 ZINC000127646891 635754876 /nfs/dbraw/zinc/75/48/76/635754876.db2.gz IGGDLRYELNXNJC-INIZCTEOSA-N 0 3 294.354 3.255 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000879996589 635892968 /nfs/dbraw/zinc/89/29/68/635892968.db2.gz UFIYHKJNACMLLT-HNNXBMFYSA-N 0 3 292.398 3.147 20 30 CGEDHN C[C@@H](c1ccccc1)N1CCN(CCC(C)(C)C#N)CC1 ZINC000880250450 635957185 /nfs/dbraw/zinc/95/71/85/635957185.db2.gz KHEYDFXOKYAYFS-INIZCTEOSA-N 0 3 285.435 3.305 20 30 CGEDHN C=C/C=C/CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000882945889 636471842 /nfs/dbraw/zinc/47/18/42/636471842.db2.gz MHYUAGBCZBXMTK-BIRNACGLSA-N 0 3 286.375 3.006 20 30 CGEDHN c1ccc2c(N=NC3CCCN4CCCC[C@@H]34)ccnc2c1 ZINC000848405726 636568146 /nfs/dbraw/zinc/56/81/46/636568146.db2.gz WDHNHNOOXPHDQT-SFHVURJKSA-N 0 3 294.402 3.073 20 30 CGEDHN C=CCC[C@H](COc1ccccc1)NCc1cc(C)ncn1 ZINC000883208463 636587042 /nfs/dbraw/zinc/58/70/42/636587042.db2.gz HGBFKBUCWNJUEL-MRXNPFEDSA-N 0 3 297.402 3.288 20 30 CGEDHN C=CC[C@H](N[C@@H](C)c1ccnc(OC)c1)c1ccncc1 ZINC000848530476 636591021 /nfs/dbraw/zinc/59/10/21/636591021.db2.gz HUEPGTIUYMXDBR-BBRMVZONSA-N 0 3 283.375 3.453 20 30 CGEDHN C=CCC[C@H](NCc1cc(F)cnc1Cl)[C@@H]1CCCO1 ZINC000883226223 636598269 /nfs/dbraw/zinc/59/82/69/636598269.db2.gz UQFNFSMIGBSFBI-KBPBESRZSA-N 0 3 298.789 3.478 20 30 CGEDHN C#C[C@H]1CCCN(c2ccnc3cc(OC)ccc32)C1 ZINC000848748754 636649323 /nfs/dbraw/zinc/64/93/23/636649323.db2.gz BEKXFUJDEYVJAC-ZDUSSCGKSA-N 0 3 266.344 3.093 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OCCC)c2)C1 ZINC000848924036 636695531 /nfs/dbraw/zinc/69/55/31/636695531.db2.gz VERZIKWRILXSHB-OAHLLOKOSA-N 0 3 287.403 3.329 20 30 CGEDHN CCO[C@H]1C[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])C1 ZINC000849169541 636762583 /nfs/dbraw/zinc/76/25/83/636762583.db2.gz DRQZPRHBSHCRGZ-MSRXBLPNSA-N 0 3 290.407 3.225 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)cc2C)CC1 ZINC001006363425 636863284 /nfs/dbraw/zinc/86/32/84/636863284.db2.gz CCXQBLKRPXYHKW-UHFFFAOYSA-N 0 3 286.419 3.026 20 30 CGEDHN C#Cc1cccc(CNCc2cc(COC)cs2)c1 ZINC000850322598 637017297 /nfs/dbraw/zinc/01/72/97/637017297.db2.gz ZGWOFQKJGRDXNW-UHFFFAOYSA-N 0 3 271.385 3.166 20 30 CGEDHN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000850460180 637074760 /nfs/dbraw/zinc/07/47/60/637074760.db2.gz SKUZOUSAMUQSOZ-YPMHNXCESA-N 0 3 274.339 3.060 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cccc(O)c32)CCCCC1 ZINC000850548788 637117428 /nfs/dbraw/zinc/11/74/28/637117428.db2.gz ACMNIXIROFMPOS-CQSZACIVSA-N 0 3 270.376 3.443 20 30 CGEDHN CN(Cc1ccc(Cl)s1)C[C@H](O)CC1(C#N)CCC1 ZINC000885930579 637317144 /nfs/dbraw/zinc/31/71/44/637317144.db2.gz BBHKQOGYVHCOIX-LLVKDONJSA-N 0 3 298.839 3.278 20 30 CGEDHN C[C@H](c1ccccc1F)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000885959033 637332517 /nfs/dbraw/zinc/33/25/17/637332517.db2.gz QUFHKQWWCLBPMS-ZIAGYGMSSA-N 0 3 290.382 3.263 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@H]1C[C@]12CCOC2 ZINC000885963895 637335060 /nfs/dbraw/zinc/33/50/60/637335060.db2.gz RUBAVJYKOYKGOT-WBVHZDCISA-N 0 3 275.367 3.240 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](OC)C1 ZINC000851738879 637485461 /nfs/dbraw/zinc/48/54/61/637485461.db2.gz WAFDIDMJRHKTMF-GDBMZVCRSA-N 0 3 290.363 3.150 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(-c2ccccn2)nc1 ZINC000852103899 637597689 /nfs/dbraw/zinc/59/76/89/637597689.db2.gz UYIURPWAELFBSW-KRWDZBQOSA-N 0 3 265.360 3.035 20 30 CGEDHN C=CCC1(O)CCN(CCOc2c(C)cccc2C)CC1 ZINC000886757979 637677221 /nfs/dbraw/zinc/67/72/21/637677221.db2.gz XCOONPAOXWXUSN-UHFFFAOYSA-N 0 3 289.419 3.085 20 30 CGEDHN C#CCOc1ccc(CNCc2cccc(OCC)c2)cc1 ZINC000113322957 638199971 /nfs/dbraw/zinc/19/99/71/638199971.db2.gz XXSUOVPCRSYQAK-UHFFFAOYSA-N 0 3 295.382 3.387 20 30 CGEDHN C#CCOc1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000113330875 638200525 /nfs/dbraw/zinc/20/05/25/638200525.db2.gz SPIRIVGHWBMNAH-UHFFFAOYSA-N 0 3 290.366 3.470 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1ncco1)C(C)C ZINC000924642271 638381297 /nfs/dbraw/zinc/38/12/97/638381297.db2.gz GRWZWYKSSLIWOG-CABCVRRESA-N 0 3 277.412 3.024 20 30 CGEDHN COc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000924843400 638412320 /nfs/dbraw/zinc/41/23/20/638412320.db2.gz ZXLMREQQIUWJJT-NSHDSACASA-N 0 3 291.351 3.021 20 30 CGEDHN C=CCC[C@@H](N[C@H](C)c1cnnn1C)c1ccccc1 ZINC000925578681 638536193 /nfs/dbraw/zinc/53/61/93/638536193.db2.gz HMILFEULMDWONL-UKRRQHHQSA-N 0 3 270.380 3.173 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858013872 638618712 /nfs/dbraw/zinc/61/87/12/638618712.db2.gz WSKDFQNTJWYBBE-GOSISDBHSA-N 0 3 292.382 3.025 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024212 638620091 /nfs/dbraw/zinc/62/00/91/638620091.db2.gz VSJXWEQEZPAZCY-WMLDXEAASA-N 0 3 299.418 3.494 20 30 CGEDHN COc1ccc(F)cc1CN[C@@H](C)CC(C)(C)C#N ZINC000926219304 638744262 /nfs/dbraw/zinc/74/42/62/638744262.db2.gz OSDJREGNSMJZRS-NSHDSACASA-N 0 3 264.344 3.252 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H]1CCCc2c(Cl)ccnc21 ZINC000926546938 638783768 /nfs/dbraw/zinc/78/37/68/638783768.db2.gz ZTZSWFFJOPTINL-FZMZJTMJSA-N 0 3 280.799 3.029 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000926698798 638800484 /nfs/dbraw/zinc/80/04/84/638800484.db2.gz ITDREJJXBQWHDL-BYCMXARLSA-N 0 3 258.365 3.083 20 30 CGEDHN Cc1ccc(CN[C@H](C)C2(Br)CC2)cc1C#N ZINC000926965454 638829576 /nfs/dbraw/zinc/82/95/76/638829576.db2.gz RPTXNNJNRMHDOW-LLVKDONJSA-N 0 3 293.208 3.272 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCCc3cccnc32)C1 ZINC000927061974 638836352 /nfs/dbraw/zinc/83/63/52/638836352.db2.gz VTIMDYLILFJMSG-AEGPPILISA-N 0 3 255.365 3.131 20 30 CGEDHN N#CC[C@@H](O)CN(CCc1ccccc1)Cc1ccccc1 ZINC000929157637 638903562 /nfs/dbraw/zinc/90/35/62/638903562.db2.gz NWLIXNCILVSPCW-LJQANCHMSA-N 0 3 294.398 3.006 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000929649185 638937513 /nfs/dbraw/zinc/93/75/13/638937513.db2.gz WLFXEHKEQKHNNO-KRWDZBQOSA-N 0 3 267.376 3.276 20 30 CGEDHN COC/C(C)=C/CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000930765553 639065415 /nfs/dbraw/zinc/06/54/15/639065415.db2.gz ZSLVHQBLPDHEQC-MAUPQMMJSA-N 0 3 258.365 3.144 20 30 CGEDHN N#CC(C(=O)CC1CCC(F)(F)CC1)c1ccccn1 ZINC000860467649 639353249 /nfs/dbraw/zinc/35/32/49/639353249.db2.gz NAFWZRHKQCTESZ-LBPRGKRZSA-N 0 3 278.302 3.473 20 30 CGEDHN C#CCC1(NCC(=O)Nc2c(CC)cccc2CC)CCC1 ZINC000933304242 639437266 /nfs/dbraw/zinc/43/72/66/639437266.db2.gz JDBFHFQIZMZAFT-UHFFFAOYSA-N 0 3 298.430 3.286 20 30 CGEDHN O=C1C=COC2(CCN(Cc3ccc4c(c3)CCC4)CC2)C1 ZINC000933648740 639474469 /nfs/dbraw/zinc/47/44/69/639474469.db2.gz RCDUDHQZILZGKZ-UHFFFAOYSA-N 0 3 297.398 3.013 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCCSC[C@H]2C2CC2)c1 ZINC000933919090 639508221 /nfs/dbraw/zinc/50/82/21/639508221.db2.gz ZKILYHMWJWHGEN-INIZCTEOSA-N 0 3 290.407 3.415 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCOc2ccccc21)c1ccccn1 ZINC000118142184 639552588 /nfs/dbraw/zinc/55/25/88/639552588.db2.gz VKCDVTKYEUWPSM-HIFRSBDPSA-N 0 3 292.338 3.214 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001006459204 640322951 /nfs/dbraw/zinc/32/29/51/640322951.db2.gz VEDNCBGYMKLEOM-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)ccc1[O-] ZINC000094617639 640800412 /nfs/dbraw/zinc/80/04/12/640800412.db2.gz WWFSEPKOOJNHOA-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN CCc1ccc(NC(=[NH2+])NCc2ccc([O-])c(F)c2)cc1 ZINC000304759271 640868884 /nfs/dbraw/zinc/86/88/84/640868884.db2.gz QYSJVRJGOHIPHS-UHFFFAOYSA-N 0 3 287.338 3.021 20 30 CGEDHN C#C[C@H](NCc1cnc(C(C)(C)C)s1)C(C)C ZINC000306014236 640910160 /nfs/dbraw/zinc/91/01/60/640910160.db2.gz XFJXWSHJJPUVJU-LBPRGKRZSA-N 0 3 250.411 3.188 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC1(C)C ZINC001017821980 641017917 /nfs/dbraw/zinc/01/79/17/641017917.db2.gz ONFWSQFAKCINKV-OWCLPIDISA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)CCC(C)(C)C ZINC001156672242 805724158 /nfs/dbraw/zinc/72/41/58/805724158.db2.gz KFKAEKCMXABFPT-HNNXBMFYSA-N 0 3 282.472 3.415 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)CCC(C)(C)C ZINC001156672244 805724178 /nfs/dbraw/zinc/72/41/78/805724178.db2.gz KFKAEKCMXABFPT-OAHLLOKOSA-N 0 3 282.472 3.415 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)C(C)C ZINC001157668861 805850210 /nfs/dbraw/zinc/85/02/10/805850210.db2.gz OEXVZBHBAWWJKT-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C[C@](C)(O)CN1CCC[C@@H]1c1cc(F)ccc1F ZINC001252555676 806064361 /nfs/dbraw/zinc/06/43/61/806064361.db2.gz ZXOZXGMTDFDBTF-CABCVRRESA-N 0 3 267.319 3.039 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1C(C)C ZINC001159408070 806095183 /nfs/dbraw/zinc/09/51/83/806095183.db2.gz HHNFNPYUNHMODB-UHFFFAOYSA-N 0 3 294.826 3.272 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1CCN(C2CCC2)CC1 ZINC001253226972 806184156 /nfs/dbraw/zinc/18/41/56/806184156.db2.gz DFDQCYLWAZNQPS-SFHVURJKSA-N 0 3 294.483 3.044 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ccncc1F ZINC001253248813 806194877 /nfs/dbraw/zinc/19/48/77/806194877.db2.gz CKFLJSRHMIFUNF-HNNXBMFYSA-N 0 3 280.387 3.198 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ccnc(F)c1 ZINC001253249527 806194888 /nfs/dbraw/zinc/19/48/88/806194888.db2.gz AOXZHHWACSJRTG-OAHLLOKOSA-N 0 3 280.387 3.198 20 30 CGEDHN C=C[C@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC001253579186 806264204 /nfs/dbraw/zinc/26/42/04/806264204.db2.gz NLXABFVAYLCYAF-FZMZJTMJSA-N 0 3 251.757 3.024 20 30 CGEDHN C=C[C@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC001253600097 806271062 /nfs/dbraw/zinc/27/10/62/806271062.db2.gz XJUVRLUGCAHRBA-SCZZXKLOSA-N 0 3 260.164 3.191 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2ccncc2Cl)C2CC2)C1 ZINC001254648119 806472014 /nfs/dbraw/zinc/47/20/14/806472014.db2.gz KBWMVHXLWMVNGS-IXPVHAAZSA-N 0 3 275.783 3.468 20 30 CGEDHN CC[C@@H](CC#N)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001255153006 806555051 /nfs/dbraw/zinc/55/50/51/806555051.db2.gz NAKOKXLADYKJKN-IRXDYDNUSA-N 0 3 271.408 3.105 20 30 CGEDHN CC[C@H](CC#N)NCC1(Cc2ccc(F)cc2)CC1 ZINC001255160027 806558586 /nfs/dbraw/zinc/55/85/86/806558586.db2.gz FEVIFBIAIYWALK-OAHLLOKOSA-N 0 3 260.356 3.430 20 30 CGEDHN CC[C@H](CC#N)NC1(Cc2cccc(F)c2)CCOCC1 ZINC001255162478 806561499 /nfs/dbraw/zinc/56/14/99/806561499.db2.gz QSPMJJBWIUBOOF-MRXNPFEDSA-N 0 3 290.382 3.199 20 30 CGEDHN CC[C@@H](CC#N)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001255164871 806563418 /nfs/dbraw/zinc/56/34/18/806563418.db2.gz PNAHWMQRKRGCHE-RYRKJORJSA-N 0 3 285.435 3.273 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccsc2)c1 ZINC000127581861 799014804 /nfs/dbraw/zinc/01/48/04/799014804.db2.gz VQBHYHNCPLMKEE-CYBMUJFWSA-N 0 3 284.340 3.018 20 30 CGEDHN C#C[C@@H](NCc1cccc2c1OC(C)(C)C2)C(C)C ZINC000381726787 799385620 /nfs/dbraw/zinc/38/56/20/799385620.db2.gz KYNPUJJRWNIBOQ-OAHLLOKOSA-N 0 3 257.377 3.148 20 30 CGEDHN C=CC(C)(C)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000395389083 799504942 /nfs/dbraw/zinc/50/49/42/799504942.db2.gz OCCAOHMJRMOVNI-UHFFFAOYSA-N 0 3 269.772 3.356 20 30 CGEDHN C=CCCC[C@@H](C)NCc1c(Cl)c(C)nn1C ZINC000398143242 799526485 /nfs/dbraw/zinc/52/64/85/799526485.db2.gz ASCOHPFJPRTUCB-SNVBAGLBSA-N 0 3 255.793 3.216 20 30 CGEDHN C[C@H](Cc1ccccc1F)NC(=N)c1ccc(Cl)cn1 ZINC001255836171 806762513 /nfs/dbraw/zinc/76/25/13/806762513.db2.gz MFBZLKKBALBUAB-SNVBAGLBSA-N 0 3 291.757 3.211 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CCCCCCO)c([O-])c1 ZINC000588384506 799685829 /nfs/dbraw/zinc/68/58/29/799685829.db2.gz OHJNKAAQQHLTPI-JXAWBTAJSA-N 0 3 292.423 3.210 20 30 CGEDHN C=CCCSCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000696139487 799837518 /nfs/dbraw/zinc/83/75/18/799837518.db2.gz OVSKRKMSZPLDOJ-NSHDSACASA-N 0 3 269.385 3.491 20 30 CGEDHN C=CCCC(C)(C)NCc1cnn(-c2ccccc2)n1 ZINC000717910799 800208679 /nfs/dbraw/zinc/20/86/79/800208679.db2.gz MRKATBDIVDJGKN-UHFFFAOYSA-N 0 3 270.380 3.102 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000721559306 800293963 /nfs/dbraw/zinc/29/39/63/800293963.db2.gz LTPSCBBSWQCLQB-JKSUJKDBSA-N 0 3 255.365 3.108 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2nccc3c2CCCC3)C1 ZINC000903181082 800595162 /nfs/dbraw/zinc/59/51/62/800595162.db2.gz DQTDMVXJIZJZPT-UKRRQHHQSA-N 0 3 269.392 3.132 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(O)(C2CCC2)CC1 ZINC000932817067 800669862 /nfs/dbraw/zinc/66/98/62/800669862.db2.gz CNAUBLYDLFBDFC-CQSZACIVSA-N 0 3 284.403 3.246 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027778621 800819240 /nfs/dbraw/zinc/81/92/40/800819240.db2.gz QWUCVPXYZOADRU-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001028202801 800834865 /nfs/dbraw/zinc/83/48/65/800834865.db2.gz IFUKOSLZHCYWJK-AWEZNQCLSA-N 0 3 294.345 3.004 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028299103 800841056 /nfs/dbraw/zinc/84/10/56/800841056.db2.gz ZNBLSZJLNZSTGN-KRWDZBQOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033601213 800969404 /nfs/dbraw/zinc/96/94/04/800969404.db2.gz LMRGTFIYYBXGBS-BRWVUGGUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001033636993 800972210 /nfs/dbraw/zinc/97/22/10/800972210.db2.gz IGRRRNXQPQCPLM-NSHDSACASA-N 0 3 298.839 3.124 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033706847 800976203 /nfs/dbraw/zinc/97/62/03/800976203.db2.gz JCLDCKMQDNSZHX-CQSZACIVSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001034389930 801025456 /nfs/dbraw/zinc/02/54/56/801025456.db2.gz AHJRLCSUMNBDSK-KBPBESRZSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038288290 801122493 /nfs/dbraw/zinc/12/24/93/801122493.db2.gz LEKPRGQGVOUPOO-CYBMUJFWSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038828294 801134960 /nfs/dbraw/zinc/13/49/60/801134960.db2.gz XWISSYXPJHOMBL-CQSZACIVSA-N 0 3 294.345 3.004 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001038980128 801140517 /nfs/dbraw/zinc/14/05/17/801140517.db2.gz VAMAHZNNBGTFRB-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C)cc2C)C1 ZINC001046814122 801326572 /nfs/dbraw/zinc/32/65/72/801326572.db2.gz HHGFBHFJMGSJTJ-GOSISDBHSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(C(C)C)n1 ZINC001256460751 806903447 /nfs/dbraw/zinc/90/34/47/806903447.db2.gz QYQUOQFPTPGPQO-GXTWGEPZSA-N 0 3 280.437 3.337 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049876168 801391290 /nfs/dbraw/zinc/39/12/90/801391290.db2.gz OLXARIRCICERRV-ROUUACIJSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2cc(C)cs2)CC[C@H]1C ZINC001071476382 801539042 /nfs/dbraw/zinc/53/90/42/801539042.db2.gz FZUYRXMXXFMNSI-ZIAGYGMSSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CCC3CCCCC3)C2)C1 ZINC001073401898 801580016 /nfs/dbraw/zinc/58/00/16/801580016.db2.gz QHORBYDFBPAQRR-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1CCC ZINC001085324257 801682546 /nfs/dbraw/zinc/68/25/46/801682546.db2.gz UXLSNGBNQSUZIA-KBUPBQIOSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715096 801701729 /nfs/dbraw/zinc/70/17/29/801701729.db2.gz BLCHBIWWQOGEPC-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085800887 801706125 /nfs/dbraw/zinc/70/61/25/801706125.db2.gz DXUCPWQUJDVMHN-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085857236 801709884 /nfs/dbraw/zinc/70/98/84/801709884.db2.gz TXAMCLYSKUYPDO-LLVKDONJSA-N 0 3 298.839 3.124 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1CC ZINC001087499769 801752742 /nfs/dbraw/zinc/75/27/42/801752742.db2.gz JOXLPZBOSLHFGL-JKSUJKDBSA-N 0 3 290.407 3.055 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1CC ZINC001087848408 801769958 /nfs/dbraw/zinc/76/99/58/801769958.db2.gz VXPGZLOARBUXPB-JKSUJKDBSA-N 0 3 298.386 3.202 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C=C/C2CC2)C1 ZINC001088284146 801779681 /nfs/dbraw/zinc/77/96/81/801779681.db2.gz WCATVMRCARULOU-XVJNWHFHSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)CC)C1 ZINC001088266679 801780266 /nfs/dbraw/zinc/78/02/66/801780266.db2.gz GUWBZWAHFFPDHN-OCCSQVGLSA-N 0 3 286.847 3.146 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1C ZINC001088576297 801802869 /nfs/dbraw/zinc/80/28/69/801802869.db2.gz HIPFXDXLQCXNHB-QXSJWSMHSA-N 0 3 292.467 3.214 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1C ZINC001088851487 801810616 /nfs/dbraw/zinc/81/06/16/801810616.db2.gz IJDNQMBTWNEOSH-GUTXKFCHSA-N 0 3 292.448 3.007 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1C ZINC001089070443 801820649 /nfs/dbraw/zinc/82/06/49/801820649.db2.gz FCCQBZOEBJZRQR-LMPOIIKSSA-N 0 3 292.467 3.214 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1=CCCCC1)C2 ZINC001095239613 801880848 /nfs/dbraw/zinc/88/08/48/801880848.db2.gz AQTPIEOYPCAMIQ-IKGGRYGDSA-N 0 3 288.435 3.175 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC=CCC1)C2 ZINC001095876438 801884729 /nfs/dbraw/zinc/88/47/29/801884729.db2.gz OJAGESIOIJPZJT-NCOADZHNSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCC1)C2 ZINC001095821616 801886402 /nfs/dbraw/zinc/88/64/02/801886402.db2.gz UAKDTVJXPMSUKU-PMPSAXMXSA-N 0 3 290.451 3.110 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)C(C)C ZINC001098960904 801921465 /nfs/dbraw/zinc/92/14/65/801921465.db2.gz TZZSBEVVFPGPRZ-JKSUJKDBSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001099158476 801929748 /nfs/dbraw/zinc/92/97/48/801929748.db2.gz HDIGNTGHGFFERX-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CC)cc2)C1 ZINC001099145047 801930901 /nfs/dbraw/zinc/93/09/01/801930901.db2.gz YERMNPNSCJBWKL-HKUYNNGSSA-N 0 3 298.430 3.019 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102003582 801998337 /nfs/dbraw/zinc/99/83/37/801998337.db2.gz GFIHWWPCMXUFSL-JLVOYYQZSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)/C=C(\C)CC)C1 ZINC001102950409 802023289 /nfs/dbraw/zinc/02/32/89/802023289.db2.gz UDQRZMZCBOUNNF-OSEPDQNXSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(CC)CC)C2 ZINC001109471575 802116128 /nfs/dbraw/zinc/11/61/28/802116128.db2.gz ATIBXKYFPUPLHD-ORQFMDKSSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001113246794 802208633 /nfs/dbraw/zinc/20/86/33/802208633.db2.gz VFWGFAVOVCHTEE-HNNXBMFYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C2(CC)CC2)CCCCC1 ZINC001115713144 802275218 /nfs/dbraw/zinc/27/52/18/802275218.db2.gz AXAKQWTVSXRNNU-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C[C@@H](CCCC#N)NCC(=O)c1ccc(Cl)cc1 ZINC001172477932 808341476 /nfs/dbraw/zinc/34/14/76/808341476.db2.gz AILKNSFWUKSASW-NSHDSACASA-N 0 3 264.756 3.195 20 30 CGEDHN N#Cc1cccc(C2(NC[C@H](O)c3cccc(F)c3)CC2)c1 ZINC001117067899 802432313 /nfs/dbraw/zinc/43/23/13/802432313.db2.gz DHWOPTOAYYGXTD-KRWDZBQOSA-N 0 3 296.345 3.010 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(CC(F)(F)F)cc1 ZINC001118989429 802624810 /nfs/dbraw/zinc/62/48/10/802624810.db2.gz CCJBVTZOVBWYNL-CYBMUJFWSA-N 0 3 273.298 3.082 20 30 CGEDHN C=C[C@@H](COC)NCc1cccc(OC(C)(C)C)c1 ZINC001118991447 802625867 /nfs/dbraw/zinc/62/58/67/802625867.db2.gz XYQGLRVTRUHQII-AWEZNQCLSA-N 0 3 263.381 3.155 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)s1 ZINC001119260115 802640588 /nfs/dbraw/zinc/64/05/88/802640588.db2.gz YEBGDDWHRWWCFH-IRXDYDNUSA-N 0 3 298.411 3.318 20 30 CGEDHN C=CCCCN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC001195875937 811297372 /nfs/dbraw/zinc/29/73/72/811297372.db2.gz BXSYSLRIUTUQIQ-CHWSQXEVSA-N 0 3 253.386 3.147 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCc2ccncc21 ZINC001121979357 802854306 /nfs/dbraw/zinc/85/43/06/802854306.db2.gz SDIQNIFAKGOZRV-OAHLLOKOSA-N 0 3 289.423 3.049 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC001123337974 802931178 /nfs/dbraw/zinc/93/11/78/802931178.db2.gz WNQOIHRVJJZZGX-ZFWWWQNUSA-N 0 3 281.359 3.273 20 30 CGEDHN C#CCCN1C[C@@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132256358 803388204 /nfs/dbraw/zinc/38/82/04/803388204.db2.gz MQAASRRMUKNBFS-RDJZCZTQSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCNCc1cccc(Cl)c1 ZINC001133379031 803471488 /nfs/dbraw/zinc/47/14/88/803471488.db2.gz RJQVBGNWSRUXLO-MRXNPFEDSA-N 0 3 294.826 3.148 20 30 CGEDHN COc1ccc(-c2ccc3c(N)ccnc3c2)cc1C#N ZINC001244709660 803508361 /nfs/dbraw/zinc/50/83/61/803508361.db2.gz ATVADHMAKCPZRL-UHFFFAOYSA-N 0 3 275.311 3.364 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2nccnc2c1 ZINC001137088097 803681920 /nfs/dbraw/zinc/68/19/20/803681920.db2.gz NBLLIUPXURRMDM-UHFFFAOYSA-N 0 3 288.354 3.133 20 30 CGEDHN N#C[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137187262 803694426 /nfs/dbraw/zinc/69/44/26/803694426.db2.gz LVKQESLBQFAJBN-ZDUSSCGKSA-N 0 3 281.359 3.066 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4ncccc34)CCC2S1 ZINC001137626015 803746523 /nfs/dbraw/zinc/74/65/23/803746523.db2.gz YBNBIBCLPFLEBL-INIZCTEOSA-N 0 3 296.395 3.009 20 30 CGEDHN C#C[C@H]1CCCN(Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC001138414218 803924046 /nfs/dbraw/zinc/92/40/46/803924046.db2.gz RVXUHXKYULFMOZ-ZDUSSCGKSA-N 0 3 270.351 3.461 20 30 CGEDHN COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138487160 803949509 /nfs/dbraw/zinc/94/95/09/803949509.db2.gz FGMCRSOLVXAUAW-MKZZRHPPSA-N 0 3 270.376 3.270 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1[O-] ZINC001138625636 803984112 /nfs/dbraw/zinc/98/41/12/803984112.db2.gz RFHYGADZCZAXHU-SFHVURJKSA-N 0 3 287.403 3.123 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1[O-] ZINC001138625636 803984117 /nfs/dbraw/zinc/98/41/17/803984117.db2.gz RFHYGADZCZAXHU-SFHVURJKSA-N 0 3 287.403 3.123 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)C[C@H]2CCCCO2)c1[O-] ZINC001138629425 803985957 /nfs/dbraw/zinc/98/59/57/803985957.db2.gz YOILYHTVVBVFFY-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)C[C@H]2CCCCO2)c1[O-] ZINC001138629425 803985963 /nfs/dbraw/zinc/98/59/63/803985963.db2.gz YOILYHTVVBVFFY-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1[O-] ZINC001138627869 803986102 /nfs/dbraw/zinc/98/61/02/803986102.db2.gz HJKKTMWXQNOKJT-CQSZACIVSA-N 0 3 270.376 3.246 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1[O-] ZINC001138627869 803986110 /nfs/dbraw/zinc/98/61/10/803986110.db2.gz HJKKTMWXQNOKJT-CQSZACIVSA-N 0 3 270.376 3.246 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccccc2OCC(=C)C)C1 ZINC001138665885 803999318 /nfs/dbraw/zinc/99/93/18/803999318.db2.gz ZMCDJXZUYLFNGL-INIZCTEOSA-N 0 3 269.388 3.487 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(S)CC1 ZINC001139029492 804113519 /nfs/dbraw/zinc/11/35/19/804113519.db2.gz AGOUNAJQBJPACK-UHFFFAOYSA-N 0 3 263.406 3.146 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc3cccnc3c2)C1 ZINC001139170038 804148568 /nfs/dbraw/zinc/14/85/68/804148568.db2.gz YMCLNVYTDVVODF-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN CCCOC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139723861 804266921 /nfs/dbraw/zinc/26/69/21/804266921.db2.gz HXGAQOXVOQPTRV-UHFFFAOYSA-N 0 3 272.392 3.258 20 30 CGEDHN Cc1ccc(CN(C)C[C@@H]2Cc3ccccc3O2)cc1C#N ZINC001139728816 804269798 /nfs/dbraw/zinc/26/97/98/804269798.db2.gz GWIMKUZXVRMJSI-SFHVURJKSA-N 0 3 292.382 3.302 20 30 CGEDHN C=CCn1cc(CN2CC[C@H](c3ccccc3OC)C2)cn1 ZINC001139766901 804278247 /nfs/dbraw/zinc/27/82/47/804278247.db2.gz YGBZINSOWJERKL-INIZCTEOSA-N 0 3 297.402 3.067 20 30 CGEDHN C=CCn1cc(CN2CCC[C@@H]2c2ccccc2)cn1 ZINC001139770257 804278503 /nfs/dbraw/zinc/27/85/03/804278503.db2.gz JBVNIMOBRJMDRC-QGZVFWFLSA-N 0 3 267.376 3.406 20 30 CGEDHN C=CCn1cc(CN2CCC[C@H]2c2ccccc2)cn1 ZINC001139770256 804278710 /nfs/dbraw/zinc/27/87/10/804278710.db2.gz JBVNIMOBRJMDRC-KRWDZBQOSA-N 0 3 267.376 3.406 20 30 CGEDHN Cc1cc(CN2CCC(C)(C#N)CC2)c(C)cc1O ZINC001140202069 804401662 /nfs/dbraw/zinc/40/16/62/804401662.db2.gz MMOGKZTXCDGLHI-UHFFFAOYSA-N 0 3 258.365 3.135 20 30 CGEDHN N#Cc1ccc(Cl)c(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001140599819 804471603 /nfs/dbraw/zinc/47/16/03/804471603.db2.gz SAQNQYFANTWXJF-BETUJISGSA-N 0 3 260.768 3.444 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2coc3ccc(F)cc23)C1 ZINC001141854645 804673924 /nfs/dbraw/zinc/67/39/24/804673924.db2.gz KGKPGMNQMWFJQO-GFCCVEGCSA-N 0 3 257.308 3.417 20 30 CGEDHN CSc1nc(CN2CCCC[C@H](C)C2)ccc1C#N ZINC001141929208 804680841 /nfs/dbraw/zinc/68/08/41/804680841.db2.gz PPYZJGAKOGIGJE-LBPRGKRZSA-N 0 3 275.421 3.297 20 30 CGEDHN C=CCN(Cc1ccc(Cl)nn1)C1CCCCC1 ZINC001142076658 804694157 /nfs/dbraw/zinc/69/41/57/804694157.db2.gz SHTCABAEYJIZIU-UHFFFAOYSA-N 0 3 265.788 3.451 20 30 CGEDHN C=CCN1CCN(Cc2c(C)ccc3ccccc32)CC1 ZINC001142380682 804720823 /nfs/dbraw/zinc/72/08/23/804720823.db2.gz ZXHVXECGNCBMLQ-UHFFFAOYSA-N 0 3 280.415 3.452 20 30 CGEDHN N#Cc1coc(CN[C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC001256806369 806981447 /nfs/dbraw/zinc/98/14/47/806981447.db2.gz ZRLZDMKVPDUMFN-RDJZCZTQSA-N 0 3 282.343 3.161 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2[nH]cnc21 ZINC001142687408 804757656 /nfs/dbraw/zinc/75/76/56/804757656.db2.gz RJAKVYRYVKPLED-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cn(C)c3ccnc(Cl)c23)C1 ZINC001248837455 805015318 /nfs/dbraw/zinc/01/53/18/805015318.db2.gz DFHABVMSEZKEER-LBPRGKRZSA-N 0 3 287.794 3.072 20 30 CGEDHN N#Cc1ccn2ncc(CN3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC001249118960 805093218 /nfs/dbraw/zinc/09/32/18/805093218.db2.gz NOTHCCWIZWDOTR-HZPDHXFCSA-N 0 3 294.402 3.218 20 30 CGEDHN COC(C)(C)[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC001249685220 805211791 /nfs/dbraw/zinc/21/17/91/805211791.db2.gz GGSRYUUFEVDVKB-AWEZNQCLSA-N 0 3 276.355 3.087 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(CC(C)C)CCC1 ZINC001154257272 805444935 /nfs/dbraw/zinc/44/49/35/805444935.db2.gz LMHLPRMVUFVZCV-MRXNPFEDSA-N 0 3 292.467 3.053 20 30 CGEDHN CN(C)Cc1ccc(NC(C)(C)c2ccc(C#N)cc2)nc1 ZINC001165743238 807016497 /nfs/dbraw/zinc/01/64/97/807016497.db2.gz UCDIVRJPKVEZLP-UHFFFAOYSA-N 0 3 294.402 3.362 20 30 CGEDHN CCCCCCCCCC[C@H](C)NC1(CO)COC1 ZINC001257546599 807195367 /nfs/dbraw/zinc/19/53/67/807195367.db2.gz IHSHMKLYNXAVFL-HNNXBMFYSA-N 0 3 271.445 3.257 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001168166554 807329734 /nfs/dbraw/zinc/32/97/34/807329734.db2.gz LRDSHKSYNYVDMN-CHWSQXEVSA-N 0 3 288.863 3.153 20 30 CGEDHN C#CCN(CCOc1ccccc1C(F)(F)F)CC1CC1 ZINC001168234917 807359086 /nfs/dbraw/zinc/35/90/86/807359086.db2.gz PAIOLEIXSFWDJV-UHFFFAOYSA-N 0 3 297.320 3.429 20 30 CGEDHN CSCC[C@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001258214956 807369123 /nfs/dbraw/zinc/36/91/23/807369123.db2.gz KRVZGISMMZTGBI-LBPRGKRZSA-N 0 3 260.406 3.058 20 30 CGEDHN C=CC[C@H](C)N1CCO[C@H](CCc2ccccc2)C1 ZINC001169080920 807569513 /nfs/dbraw/zinc/56/95/13/807569513.db2.gz XKVAZTHCZMWFQD-DOTOQJQBSA-N 0 3 259.393 3.285 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001258733459 807578806 /nfs/dbraw/zinc/57/88/06/807578806.db2.gz DVILIGFXNIZVFS-HNNXBMFYSA-N 0 3 287.407 3.191 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001258736254 807581858 /nfs/dbraw/zinc/58/18/58/807581858.db2.gz PJDMJRDQPSLCEZ-JKSUJKDBSA-N 0 3 286.419 3.188 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(c2ccc3c(c2)CCC3=O)CC1 ZINC001258736409 807582566 /nfs/dbraw/zinc/58/25/66/807582566.db2.gz RSDFGBRLUFJDQO-OAHLLOKOSA-N 0 3 298.430 3.292 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC[C@@H](c2ccccc2)C1=O ZINC001261656120 807773444 /nfs/dbraw/zinc/77/34/44/807773444.db2.gz PVZNMYRTAKSVKK-KSZLIROESA-N 0 3 296.414 3.143 20 30 CGEDHN C[C@@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)CO1 ZINC001170398688 807834085 /nfs/dbraw/zinc/83/40/85/807834085.db2.gz UGNOMIUIIRESNQ-HEZAVNPASA-N 0 3 298.430 3.500 20 30 CGEDHN C[C@@H](CC#N)N[C@H]1CCc2ccc(Br)cc2C1 ZINC001170861177 807923080 /nfs/dbraw/zinc/92/30/80/807923080.db2.gz ARTRWHFWJLZUKB-HZMBPMFUSA-N 0 3 293.208 3.198 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCC)cc1C ZINC001263076065 807930822 /nfs/dbraw/zinc/93/08/22/807930822.db2.gz LDYUXNPIKAHAEL-AWEZNQCLSA-N 0 3 276.380 3.016 20 30 CGEDHN N#CC1CCN([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170918775 807933411 /nfs/dbraw/zinc/93/34/11/807933411.db2.gz KLUSSCFWRXYTIN-CQSZACIVSA-N 0 3 274.795 3.433 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCc2c(Cl)cccc2C1 ZINC001171022035 807962989 /nfs/dbraw/zinc/96/29/89/807962989.db2.gz IVZCOJAPFOQNEM-STQMWFEESA-N 0 3 262.784 3.479 20 30 CGEDHN Cc1nc(CN[C@@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171174967 808000164 /nfs/dbraw/zinc/00/01/64/808000164.db2.gz GSWGRMQHYXSPCB-NSHDSACASA-N 0 3 271.389 3.044 20 30 CGEDHN Cc1nc2c(s1)CN([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171220670 808010315 /nfs/dbraw/zinc/01/03/15/808010315.db2.gz AUEZSXMASLRYIG-GFCCVEGCSA-N 0 3 297.427 3.313 20 30 CGEDHN C#CCCN1CCC[C@@H]1Cc1ccccc1Br ZINC001171308680 808024672 /nfs/dbraw/zinc/02/46/72/808024672.db2.gz SMCSRJUCPDWFIQ-CQSZACIVSA-N 0 3 292.220 3.479 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001264180402 808044046 /nfs/dbraw/zinc/04/40/46/808044046.db2.gz CIDRPTAIZOGMMY-NKSUMMKUSA-N 0 3 278.440 3.088 20 30 CGEDHN N#CC[C@@H]1CCCN([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171493042 808075449 /nfs/dbraw/zinc/07/54/49/808075449.db2.gz LIJRLEAFIJJBOC-WFASDCNBSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@](C)(F)CCCC)CC1 ZINC001265194637 808118052 /nfs/dbraw/zinc/11/80/52/808118052.db2.gz JWQMZVAXRCRKBU-INIZCTEOSA-N 0 3 284.419 3.014 20 30 CGEDHN Cc1nc(CN[C@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172291308 808216212 /nfs/dbraw/zinc/21/62/12/808216212.db2.gz IESLYEPQEKVZPP-LLVKDONJSA-N 0 3 271.389 3.044 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN1CC=C(C)C ZINC001266482690 808273546 /nfs/dbraw/zinc/27/35/46/808273546.db2.gz HCBNDUWUSKKDTM-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@H]1CCC=CCCC1)C1CC1 ZINC001266597083 808293743 /nfs/dbraw/zinc/29/37/43/808293743.db2.gz UXOHRISVESHFGF-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001266628736 808299309 /nfs/dbraw/zinc/29/93/09/808299309.db2.gz QAWCTBBVZIELLU-YDHLFZDLSA-N 0 3 286.847 3.192 20 30 CGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001266837184 808321104 /nfs/dbraw/zinc/32/11/04/808321104.db2.gz KOECSFOPFXHYJA-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(c2nccc3occc32)CC1 ZINC001172500379 808355916 /nfs/dbraw/zinc/35/59/16/808355916.db2.gz NBBIZWWRCXSHBY-AWEZNQCLSA-N 0 3 298.390 3.032 20 30 CGEDHN CCCCCCCC[C@@H](CC)N[C@H]1C=CS(=O)(=O)C1 ZINC001172504644 808360021 /nfs/dbraw/zinc/36/00/21/808360021.db2.gz HNEGPMFVMSUFPZ-CABCVRRESA-N 0 3 287.469 3.416 20 30 CGEDHN CCCCCCCC[C@H](CC)N1CCN(C(N)=O)CC1 ZINC001172505448 808360950 /nfs/dbraw/zinc/36/09/50/808360950.db2.gz NNXPRDXIAYPTIS-HNNXBMFYSA-N 0 3 283.460 3.212 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001267614885 808458506 /nfs/dbraw/zinc/45/85/06/808458506.db2.gz DXKUPCNJZRYQML-NVXWUHKLSA-N 0 3 298.446 3.452 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001267613587 808458823 /nfs/dbraw/zinc/45/88/23/808458823.db2.gz NLSHYDFILHWUDB-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)CN(C)Cc1cccc(F)c1 ZINC001268743760 808619648 /nfs/dbraw/zinc/61/96/48/808619648.db2.gz UTLGEVGFPGZYOE-CQSZACIVSA-N 0 3 292.398 3.119 20 30 CGEDHN COc1cccc(Nc2ccc3nc(C)[nH]c3c2)c1C#N ZINC001213075197 815223480 /nfs/dbraw/zinc/22/34/80/815223480.db2.gz IOBXKPZTRLCBJL-UHFFFAOYSA-N 0 3 278.315 3.495 20 30 CGEDHN CC1(C#N)CCC(N2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001173594036 808649682 /nfs/dbraw/zinc/64/96/82/808649682.db2.gz POGLTDQDSFQHTA-YIOUJQMASA-N 0 3 256.340 3.231 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1CCCC1CCC1 ZINC001269284825 808664439 /nfs/dbraw/zinc/66/44/39/808664439.db2.gz GAXPBJBZIKOOHS-AEFFLSMTSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(CCC)CC1)CC2 ZINC001270858092 808749899 /nfs/dbraw/zinc/74/98/99/808749899.db2.gz RZVLKSBTAROPQM-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN CN(C)Cc1ccccc1Nc1ncc(C#N)cc1Cl ZINC001173929246 808767832 /nfs/dbraw/zinc/76/78/32/808767832.db2.gz MSKYZLKBTUENCU-UHFFFAOYSA-N 0 3 286.766 3.412 20 30 CGEDHN CN(C)Cc1ccccc1Nc1cnc(C#N)c(Cl)c1 ZINC001173929083 808768034 /nfs/dbraw/zinc/76/80/34/808768034.db2.gz UMHACMWMYFYXBU-UHFFFAOYSA-N 0 3 286.766 3.412 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(CCC)cc1 ZINC001272094050 808797747 /nfs/dbraw/zinc/79/77/47/808797747.db2.gz YAKKQVHEVISCQS-UHFFFAOYSA-N 0 3 288.435 3.219 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001273204993 808837621 /nfs/dbraw/zinc/83/76/21/808837621.db2.gz QKYZAPYYJWNDNW-XSCHDIRWSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCCN(CC=C(C)C)[C@H]1C ZINC001278521255 809140072 /nfs/dbraw/zinc/14/00/72/809140072.db2.gz MQJWOBPUZQOFCR-HOTGVXAUSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCCN(CC=C(C)C)[C@@H]1C ZINC001278521253 809140690 /nfs/dbraw/zinc/14/06/90/809140690.db2.gz MQJWOBPUZQOFCR-CVEARBPZSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001278645150 809148467 /nfs/dbraw/zinc/14/84/67/809148467.db2.gz NPLJXSZLDYQODL-ZIAGYGMSSA-N 0 3 298.446 3.163 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)CC(C)(C)C ZINC001280315301 809183925 /nfs/dbraw/zinc/18/39/25/809183925.db2.gz NLJAGLLQJUWZEV-UHFFFAOYSA-N 0 3 288.435 3.357 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CC=CCC1)C(C)C ZINC001284527441 809306912 /nfs/dbraw/zinc/30/69/12/809306912.db2.gz MZKQIYZQZJIYDY-INIZCTEOSA-N 0 3 278.440 3.088 20 30 CGEDHN C#CCC[C@@H](O)CNCc1ccc(Cl)c(C)c1Cl ZINC001179489390 809924759 /nfs/dbraw/zinc/92/47/59/809924759.db2.gz MDTHTRAELSHJFF-GFCCVEGCSA-N 0 3 286.202 3.166 20 30 CGEDHN C#C[C@H](C)NCc1ccc(OCc2cccc(OC)c2)cc1 ZINC001181645629 810062232 /nfs/dbraw/zinc/06/22/32/810062232.db2.gz FYFCZPSFDRHUEF-HNNXBMFYSA-N 0 3 295.382 3.386 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001188187030 810465855 /nfs/dbraw/zinc/46/58/55/810465855.db2.gz CDUQAVUCEAIMHE-CRAIPNDOSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192514273 810804821 /nfs/dbraw/zinc/80/48/21/810804821.db2.gz WVBRVLVVOXGEKX-GJZGRUSLSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193479727 810893643 /nfs/dbraw/zinc/89/36/43/810893643.db2.gz ZURULXRHXKGFRI-LSDHHAIUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193479724 810893990 /nfs/dbraw/zinc/89/39/90/810893990.db2.gz ZURULXRHXKGFRI-CABCVRRESA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCCCOC(=O)N[C@H]1CCN(C)C1 ZINC001194919784 811170081 /nfs/dbraw/zinc/17/00/81/811170081.db2.gz JJSRBKVSSZQPGH-AWEZNQCLSA-N 0 3 270.417 3.167 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001195350325 811245715 /nfs/dbraw/zinc/24/57/15/811245715.db2.gz UKUZRDXEJBKMLC-KGLIPLIRSA-N 0 3 267.413 3.395 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001196358009 811336415 /nfs/dbraw/zinc/33/64/15/811336415.db2.gz KVOOSPFRGKRZNQ-QGZVFWFLSA-N 0 3 298.446 3.405 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N(C)C[C@@H](C)C1CCCCC1 ZINC001196817896 811370256 /nfs/dbraw/zinc/37/02/56/811370256.db2.gz CSVWGVIYJPTPRR-HIFRSBDPSA-N 0 3 267.413 3.252 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001196880505 811374793 /nfs/dbraw/zinc/37/47/93/811374793.db2.gz LFLGXGKRJOKFPM-LXXRFIIISA-N 0 3 292.467 3.479 20 30 CGEDHN C#CCCN1CCCN(C(=O)CCCCCC(C)C)CC1 ZINC001197346836 811418607 /nfs/dbraw/zinc/41/86/07/811418607.db2.gz ZZFYGISDMYMBFV-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN CCCCCCCCN1Cc2ccnn2C[C@H](COC)C1 ZINC001201826204 811968451 /nfs/dbraw/zinc/96/84/51/811968451.db2.gz PYCOYGWMEFXBHI-MRXNPFEDSA-N 0 3 293.455 3.322 20 30 CGEDHN CCCCCCCCCCN1CCN(CCOC)CC1 ZINC001201852616 811972430 /nfs/dbraw/zinc/97/24/30/811972430.db2.gz DWHOEBBORIGUGP-UHFFFAOYSA-N 0 3 284.488 3.391 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(CC)CC)C12CCC2 ZINC001202521261 812114162 /nfs/dbraw/zinc/11/41/62/812114162.db2.gz MMKUCKKTFINMHO-ZIAGYGMSSA-N 0 3 298.858 3.192 20 30 CGEDHN C#C[C@H]1CC[C@H]([NH2+]Cc2cc([O-])cc(Cl)c2)CC1 ZINC001203559200 812392965 /nfs/dbraw/zinc/39/29/65/812392965.db2.gz FOCYYHBDNBZHGV-YEORSEQZSA-N 0 3 263.768 3.327 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](CC#N)C2)c(C)c1C ZINC001203724199 812441788 /nfs/dbraw/zinc/44/17/88/812441788.db2.gz CMWYITZFTIHFPS-HNNXBMFYSA-N 0 3 272.392 3.438 20 30 CGEDHN CN1CCN(Cc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001203903635 812487555 /nfs/dbraw/zinc/48/75/55/812487555.db2.gz JVRMECUPEBTRCV-IBGZPJMESA-N 0 3 291.398 3.047 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C(F)F)C2)cc1 ZINC001203905656 812488216 /nfs/dbraw/zinc/48/82/16/812488216.db2.gz YXDHLXGBDKUWMX-ZDUSSCGKSA-N 0 3 250.292 3.035 20 30 CGEDHN CCCN(CCc1ccccn1)Cc1ccccc1C#N ZINC001204373986 812623518 /nfs/dbraw/zinc/62/35/18/812623518.db2.gz ZPPGFXPEGHXHKE-UHFFFAOYSA-N 0 3 279.387 3.408 20 30 CGEDHN C#CCN(CC(C)(C)c1ccc(OC)c(OC)c1)C1CC1 ZINC001205883797 813118985 /nfs/dbraw/zinc/11/89/85/813118985.db2.gz ZNAIHCXUGYHCDP-UHFFFAOYSA-N 0 3 287.403 3.079 20 30 CGEDHN C#C[C@@H](NCc1ccc(CC(C)C)nc1)C(C)(C)C ZINC001206077165 813192338 /nfs/dbraw/zinc/19/23/38/813192338.db2.gz IHJBPAZWGLDWFH-MRXNPFEDSA-N 0 3 258.409 3.418 20 30 CGEDHN C[NH+](C)CCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001206273589 813267722 /nfs/dbraw/zinc/26/77/22/813267722.db2.gz YVQDJRKKTRWCNS-LYHOESIGSA-N 0 3 298.386 3.184 20 30 CGEDHN O=c1cccc(CN2CCC(C#Cc3ccccc3)CC2)[nH]1 ZINC001207069427 813478540 /nfs/dbraw/zinc/47/85/40/813478540.db2.gz DVLYZSCFSJJFGS-UHFFFAOYSA-N 0 3 292.382 3.051 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)CC1 ZINC001208515391 813764608 /nfs/dbraw/zinc/76/46/08/813764608.db2.gz KUTBTBCXHQZHBL-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN COC(=O)C1(C#N)CCN(CC[C@H](C)CC(C)(C)C)CC1 ZINC001208664852 813788075 /nfs/dbraw/zinc/78/80/75/813788075.db2.gz ZVAFEGFPTUTENX-AWEZNQCLSA-N 0 3 294.439 3.228 20 30 CGEDHN C[N@H+](CCCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001208862306 813871274 /nfs/dbraw/zinc/87/12/74/813871274.db2.gz HTWSMKXCGJLHCJ-UHFFFAOYSA-N 0 3 280.371 3.328 20 30 CGEDHN C[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001208862306 813871282 /nfs/dbraw/zinc/87/12/82/813871282.db2.gz HTWSMKXCGJLHCJ-UHFFFAOYSA-N 0 3 280.371 3.328 20 30 CGEDHN C[C@H](CN1C[C@@H](CF)[C@H](C(F)(F)F)C1)C(F)(F)F ZINC001208887653 813880697 /nfs/dbraw/zinc/88/06/97/813880697.db2.gz OAONVTRBPOZYFR-BWZBUEFSSA-N 0 3 281.215 3.265 20 30 CGEDHN N#Cc1ccc(CCN2CCOC[C@H]2C2CCCCC2)cc1 ZINC001208928776 813902773 /nfs/dbraw/zinc/90/27/73/813902773.db2.gz IHOLTCPGIBOGOX-IBGZPJMESA-N 0 3 298.430 3.382 20 30 CGEDHN C#C[C@@H]1CCCN(CCc2ccc(F)cc2Cl)C1 ZINC001209114867 813937919 /nfs/dbraw/zinc/93/79/19/813937919.db2.gz WFXVXIFWMWCZLW-GFCCVEGCSA-N 0 3 265.759 3.367 20 30 CGEDHN C=CCCCCN1CCN(c2ccccc2OC)CC1 ZINC001209200545 813964765 /nfs/dbraw/zinc/96/47/65/813964765.db2.gz JMSAXQTTWFACIV-UHFFFAOYSA-N 0 3 274.408 3.174 20 30 CGEDHN C=CCCCCN1CCCn2cnc(COCC=C)c2C1 ZINC001209201216 813965512 /nfs/dbraw/zinc/96/55/12/813965512.db2.gz XCBZRUDKIDBSTO-UHFFFAOYSA-N 0 3 289.423 3.148 20 30 CGEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](CCC)C1 ZINC001209270313 813989651 /nfs/dbraw/zinc/98/96/51/813989651.db2.gz ZBSVSFCRVFUPQH-HNNXBMFYSA-N 0 3 294.439 3.121 20 30 CGEDHN C=CCCCCCN1CCN(c2ccc(C)cn2)CC1 ZINC001209427036 814027932 /nfs/dbraw/zinc/02/79/32/814027932.db2.gz DMNSXTMQOBNCEO-UHFFFAOYSA-N 0 3 273.424 3.258 20 30 CGEDHN C=CCCCCCCN1Cc2ccnn2C[C@@H](COC)C1 ZINC001209437829 814037537 /nfs/dbraw/zinc/03/75/37/814037537.db2.gz VZDGIMGKPAMQNQ-INIZCTEOSA-N 0 3 291.439 3.098 20 30 CGEDHN C=CCCCCCCCN1CCc2c(ncn2C)C1 ZINC001209441336 814041257 /nfs/dbraw/zinc/04/12/57/814041257.db2.gz HYIVBDAHBLSJBA-UHFFFAOYSA-N 0 3 261.413 3.305 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209599071 814096386 /nfs/dbraw/zinc/09/63/86/814096386.db2.gz IHGOOCBVTZWBNV-LLVKDONJSA-N 0 3 273.767 3.062 20 30 CGEDHN C=CC1(CC(=O)N2CCC[C@H](NCCF)C2)CCCCC1 ZINC001210107774 814293235 /nfs/dbraw/zinc/29/32/35/814293235.db2.gz RGRPHEKNFRVCLH-HNNXBMFYSA-N 0 3 296.430 3.063 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CCCCCC)C1 ZINC001210284771 814380064 /nfs/dbraw/zinc/38/00/64/814380064.db2.gz SLKFEMQMVLWSHD-OWCLPIDISA-N 0 3 298.446 3.308 20 30 CGEDHN CCCCCCC/C=C/CN1CCNC[C@H](F)C1 ZINC001210580100 814541203 /nfs/dbraw/zinc/54/12/03/814541203.db2.gz FCZQVCJQNLMFEW-HVHJFMEUSA-N 0 3 256.409 3.146 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H](NCCF)C2)CCCCC1 ZINC001211213091 814849991 /nfs/dbraw/zinc/84/99/91/814849991.db2.gz KVULUFLHCRHRHU-OAHLLOKOSA-N 0 3 296.430 3.063 20 30 CGEDHN N#C[C@@H]1CNC[C@@H]1OCc1ccc(Oc2ccccc2)cc1 ZINC001217832390 815972788 /nfs/dbraw/zinc/97/27/88/815972788.db2.gz OFQJICKAWGTMDD-QAPCUYQASA-N 0 3 294.354 3.107 20 30 CGEDHN N#Cc1ccc(-c2ccc(O[C@H]3CCNC[C@@H]3F)cc2)cc1 ZINC001218064404 816082331 /nfs/dbraw/zinc/08/23/31/816082331.db2.gz KVLVHGSBKMFWCO-ROUUACIJSA-N 0 3 296.345 3.304 20 30 CGEDHN N#Cc1c(F)cc(O[C@@H]2CNCc3ccccc32)cc1F ZINC001218489828 816244870 /nfs/dbraw/zinc/24/48/70/816244870.db2.gz WDGQIVMVIKVIMQ-MRXNPFEDSA-N 0 3 286.281 3.060 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221979346 816339257 /nfs/dbraw/zinc/33/92/57/816339257.db2.gz YSWQTDWKTRXQBK-BZUAXINKSA-N 0 3 292.467 3.168 20 30 CGEDHN CN1CCC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227162146 817576933 /nfs/dbraw/zinc/57/69/33/817576933.db2.gz HQZAJTQWLDDNOG-NSHDSACASA-N 0 3 284.281 3.050 20 30 CGEDHN CCN1CCC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227161888 817577018 /nfs/dbraw/zinc/57/70/18/817577018.db2.gz AVGQSBXJIHDSQS-LBPRGKRZSA-N 0 3 298.308 3.440 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228123740 817817110 /nfs/dbraw/zinc/81/71/10/817817110.db2.gz QXGUEUZJLFDUSQ-RBSFLKMASA-N 0 3 298.858 3.358 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001231171199 818050499 /nfs/dbraw/zinc/05/04/99/818050499.db2.gz YWJBFTSKIZKFOL-SJLPKXTDSA-N 0 3 298.430 3.173 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)CCc1cccc(F)c1 ZINC001231620591 818138913 /nfs/dbraw/zinc/13/89/13/818138913.db2.gz FUXKYVKZKCUUMQ-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN C=CCCN(Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1 ZINC001232075581 818246482 /nfs/dbraw/zinc/24/64/82/818246482.db2.gz FRDVCZOCDQFAIJ-UHFFFAOYSA-N 0 3 298.386 3.380 20 30 CGEDHN C=CCN(Cc1ccc(C(C)(C)O)nc1)C(C)(C)C ZINC001232828057 818450816 /nfs/dbraw/zinc/45/08/16/818450816.db2.gz XKPFNCYXNIDGNZ-UHFFFAOYSA-N 0 3 262.397 3.096 20 30 CGEDHN CCCCCN1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC001232892026 818466763 /nfs/dbraw/zinc/46/67/63/818466763.db2.gz WOUUHFTVPRCIIL-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN O=C1C=C2CN(Cc3ccsc3Cl)CCC2S1 ZINC001233056365 818515112 /nfs/dbraw/zinc/51/51/12/818515112.db2.gz NPPHNINEKQHEFX-JTQLQIEISA-N 0 3 285.821 3.176 20 30 CGEDHN N#C[C@H]1CCCN(Cc2cc3cccnc3s2)CC1 ZINC001233348504 818592238 /nfs/dbraw/zinc/59/22/38/818592238.db2.gz DYRHAROWKLMMGL-LBPRGKRZSA-N 0 3 271.389 3.422 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001233915005 818730410 /nfs/dbraw/zinc/73/04/10/818730410.db2.gz JWVPLRNKOUXQOU-GFCCVEGCSA-N 0 3 296.798 3.046 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CCCCCCC ZINC001233946438 818737808 /nfs/dbraw/zinc/73/78/08/818737808.db2.gz BKUVKJNABHITNI-KRWDZBQOSA-N 0 3 292.467 3.293 20 30 CGEDHN C#Cc1ccc(OC2CCN(Cc3ccccc3)CC2)nc1 ZINC001233967727 818742508 /nfs/dbraw/zinc/74/25/08/818742508.db2.gz PITRCNBAHAYNHH-UHFFFAOYSA-N 0 3 292.382 3.106 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccsc1C ZINC001234141510 818789090 /nfs/dbraw/zinc/78/90/90/818789090.db2.gz PAUHZNISRHCFTN-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C#C[C@H](CCCC)Oc1cccc2c1CCN(C)C2 ZINC001234424015 818851920 /nfs/dbraw/zinc/85/19/20/818851920.db2.gz MYFOAPYGSLPHFK-OAHLLOKOSA-N 0 3 257.377 3.245 20 30 CGEDHN Cc1nnc(-c2ccc(CN3CCC(C)(C#N)CC3)cc2)o1 ZINC001235062766 818993170 /nfs/dbraw/zinc/99/31/70/818993170.db2.gz WJRYOVNMLUYCPB-UHFFFAOYSA-N 0 3 296.374 3.171 20 30 CGEDHN C=CCN(CC=C)Cc1cccc(N2CCCC2)c1 ZINC001235094597 819001285 /nfs/dbraw/zinc/00/12/85/819001285.db2.gz CKMWLCWWAVYWOV-UHFFFAOYSA-N 0 3 256.393 3.461 20 30 CGEDHN CC(C)(C)c1ccc(C[NH+]2CCC(C#N)CC2)c([O-])c1 ZINC001235676780 819136408 /nfs/dbraw/zinc/13/64/08/819136408.db2.gz UUKHMYIFUPVQSX-UHFFFAOYSA-N 0 3 272.392 3.425 20 30 CGEDHN C=CCN1CCN(Cc2cccc3sccc32)CC1 ZINC001236678667 819569534 /nfs/dbraw/zinc/56/95/34/819569534.db2.gz FPBHXHCQCWJDGZ-UHFFFAOYSA-N 0 3 272.417 3.205 20 30 CGEDHN Cn1cc(CN2CCC[C@H](CC#N)C2)c2cc(C#N)ccc21 ZINC001237469832 819759763 /nfs/dbraw/zinc/75/97/63/819759763.db2.gz CNPBAPDBTUQOSM-CQSZACIVSA-N 0 3 292.386 3.176 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001238711622 820096597 /nfs/dbraw/zinc/09/65/97/820096597.db2.gz PZEZHSKIKUJIPK-OAHLLOKOSA-N 0 3 286.394 3.271 20 30 CGEDHN CCc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1C#N ZINC001238769921 820113605 /nfs/dbraw/zinc/11/36/05/820113605.db2.gz WCWGVRSPISLFRK-JYJNAYRXSA-N 0 3 258.340 3.053 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1cc(F)c(C#N)c(F)c1 ZINC001239933497 820712771 /nfs/dbraw/zinc/71/27/71/820712771.db2.gz BJVVIBIQACKBPM-GQCTYLIASA-N 0 3 285.297 3.431 20 30 CGEDHN C=CC1CCN(Cc2cnn(CC3CCC3)c2)CC1 ZINC001335418811 936144877 /nfs/dbraw/zinc/14/48/77/936144877.db2.gz AJLPIKRWRDAOHQ-UHFFFAOYSA-N 0 3 259.397 3.081 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1Cc2ccccc2[C@@H]1CC ZINC001341574516 936442655 /nfs/dbraw/zinc/44/26/55/936442655.db2.gz MRURGIHJIFLWRG-HOTGVXAUSA-N 0 3 272.392 3.164 20 30 CGEDHN C=CCC[C@@H]1CCCN1C(=O)C[C@H]1NCc2ccccc21 ZINC001341778238 936450270 /nfs/dbraw/zinc/45/02/70/936450270.db2.gz BCOLKYVKJDNOSW-NVXWUHKLSA-N 0 3 284.403 3.178 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001342128315 936460247 /nfs/dbraw/zinc/46/02/47/936460247.db2.gz LOYUCWBGUYTQAQ-FZKCQIBNSA-N 0 3 298.471 3.137 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001342267856 936464248 /nfs/dbraw/zinc/46/42/48/936464248.db2.gz HMWMPWPZDNQOLG-MJBXVCDLSA-N 0 3 299.761 3.053 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC(C1CCC1)C1CCC1 ZINC001342926349 936483850 /nfs/dbraw/zinc/48/38/50/936483850.db2.gz YFMYEAKVHDFBAE-OAHLLOKOSA-N 0 3 285.391 3.203 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC001343188890 936490310 /nfs/dbraw/zinc/49/03/10/936490310.db2.gz RYHGVUGBKPHNIR-LSDHHAIUSA-N 0 3 292.810 3.127 20 30 CGEDHN N#CC(C(=O)C1CC=CC1)c1nccn1Cc1ccccc1 ZINC001343704253 936510802 /nfs/dbraw/zinc/51/08/02/936510802.db2.gz IWOUCQFVSJGFCB-MRXNPFEDSA-N 0 3 291.354 3.074 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(F)c1SC ZINC001343974633 936521148 /nfs/dbraw/zinc/52/11/48/936521148.db2.gz TXSBYSUSPRJKMG-LLVKDONJSA-N 0 3 282.384 3.170 20 30 CGEDHN C=CCCCNCc1nc2c(s1)C[C@H](C)CC2 ZINC001344108548 936526523 /nfs/dbraw/zinc/52/65/23/936526523.db2.gz DYTPPSMHLPEKOS-LLVKDONJSA-N 0 3 250.411 3.324 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001344865081 936547248 /nfs/dbraw/zinc/54/72/48/936547248.db2.gz YUPJBKAULLZYOW-GDBMZVCRSA-N 0 3 295.386 3.267 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC001344874699 936547603 /nfs/dbraw/zinc/54/76/03/936547603.db2.gz FICKQCZPJXIONB-GDBMZVCRSA-N 0 3 293.370 3.199 20 30 CGEDHN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001345622193 936817609 /nfs/dbraw/zinc/81/76/09/936817609.db2.gz VFBCMIBCRBFFOM-HQPVMZNJSA-N 0 3 290.313 3.218 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(Cl)cs1 ZINC001346095770 936838025 /nfs/dbraw/zinc/83/80/25/936838025.db2.gz IPJVZFQACNGJJA-SECBINFHSA-N 0 3 279.752 3.108 20 30 CGEDHN CCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC1 ZINC001347992003 936905935 /nfs/dbraw/zinc/90/59/35/936905935.db2.gz ABFMVWRTVBEVBM-SNVBAGLBSA-N 0 3 264.275 3.116 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001349701458 936958266 /nfs/dbraw/zinc/95/82/66/936958266.db2.gz GEGVKNIGYSQMOZ-AAVRWANBSA-N 0 3 273.380 3.152 20 30 CGEDHN CC(C)c1cc([C@@H]2CCCN(CCCC#N)C2)[nH]n1 ZINC001352942311 937054324 /nfs/dbraw/zinc/05/43/24/937054324.db2.gz XISWFTQWJDBIGQ-CYBMUJFWSA-N 0 3 260.385 3.016 20 30 CGEDHN CC(C)c1cc([C@@H]2CCCN(CCCC#N)C2)n[nH]1 ZINC001352942311 937054326 /nfs/dbraw/zinc/05/43/26/937054326.db2.gz XISWFTQWJDBIGQ-CYBMUJFWSA-N 0 3 260.385 3.016 20 30 CGEDHN Cc1cc(C)cc([C@@H](C)NCc2cncc(C#N)c2)c1 ZINC001354471973 937103126 /nfs/dbraw/zinc/10/31/26/937103126.db2.gz MOKNXQBYQXMQGW-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)CC[C@@H](C)c1ccccc1 ZINC001480921780 926795941 /nfs/dbraw/zinc/79/59/41/926795941.db2.gz URYGHHKRGRPHGX-MRXNPFEDSA-N 0 3 288.435 3.194 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccc(C#N)cc1 ZINC000336466540 926995773 /nfs/dbraw/zinc/99/57/73/926995773.db2.gz HJPFEEQOFCGBKE-IAQYHMDHSA-N 0 3 266.348 3.010 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C(C)(C)C2CC2)CCCC1 ZINC001482228795 927178304 /nfs/dbraw/zinc/17/83/04/927178304.db2.gz NKPUOWREFWLKCY-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CCCCCC)C1 ZINC001483678515 927568352 /nfs/dbraw/zinc/56/83/52/927568352.db2.gz ATHHHWUMKYULBB-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1 ZINC001483678868 927569546 /nfs/dbraw/zinc/56/95/46/927569546.db2.gz VCFZSCCCUURLAE-CRAIPNDOSA-N 0 3 292.467 3.215 20 30 CGEDHN N#CC(C(=O)CCCc1cccs1)c1cccc(F)n1 ZINC001357580092 937174392 /nfs/dbraw/zinc/17/43/92/937174392.db2.gz IGJRHNAENNPVHZ-GFCCVEGCSA-N 0 3 288.347 3.481 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001483704554 927581197 /nfs/dbraw/zinc/58/11/97/927581197.db2.gz BAWFXGNGTXRFGK-CQSZACIVSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001484512900 927713127 /nfs/dbraw/zinc/71/31/27/927713127.db2.gz YXKKZPRLHZMBSC-JSGCOSHPSA-N 0 3 286.847 3.003 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001484722386 927748879 /nfs/dbraw/zinc/74/88/79/927748879.db2.gz VEVRJTHZOOVAJF-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CC1CCCCCC1 ZINC001485068191 927799311 /nfs/dbraw/zinc/79/93/11/927799311.db2.gz AEQAMNPFXHYVIX-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)CSC(C)C ZINC001485473598 927877420 /nfs/dbraw/zinc/87/74/20/927877420.db2.gz FZXVQPIDWXMRFP-OAHLLOKOSA-N 0 3 298.496 3.065 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(C)C)C(C)(C)C1 ZINC001485578660 927890609 /nfs/dbraw/zinc/89/06/09/927890609.db2.gz WNDPZLKHVLLGDP-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H](CC)CCCC)CC1 ZINC001486501215 928031591 /nfs/dbraw/zinc/03/15/91/928031591.db2.gz BPLQSPQHYBSLMG-INIZCTEOSA-N 0 3 278.440 3.137 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(F)(F)CC1 ZINC001171204487 928200755 /nfs/dbraw/zinc/20/07/55/928200755.db2.gz YIYCRXWGKDKADC-LBPRGKRZSA-N 0 3 264.319 3.220 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCC1 ZINC001488646050 928287264 /nfs/dbraw/zinc/28/72/64/928287264.db2.gz YGVQLQYBCCLQKW-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(CCCC)CC1 ZINC001488652502 928289843 /nfs/dbraw/zinc/28/98/43/928289843.db2.gz FUYQOYLPWVNGBE-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CCC)CC(C)C)[C@H]1C ZINC001489315050 928322786 /nfs/dbraw/zinc/32/27/86/928322786.db2.gz OWTIQVKFVNVLNE-PMPSAXMXSA-N 0 3 280.456 3.214 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CC)CCCCC)[C@H]1C ZINC001489312548 928328697 /nfs/dbraw/zinc/32/86/97/928328697.db2.gz SBOYPLPDHVFIKG-ZACQAIPSSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001489343441 928329458 /nfs/dbraw/zinc/32/94/58/928329458.db2.gz GLFHFXXNXDVPIR-DEBLGDTFSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001490570643 928376509 /nfs/dbraw/zinc/37/65/09/928376509.db2.gz QMIILHQMUINPMF-HZPDHXFCSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H](C)CC)CC1 ZINC001490615266 928378845 /nfs/dbraw/zinc/37/88/45/928378845.db2.gz PUXQZJYIUITQQR-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001491216050 928845047 /nfs/dbraw/zinc/84/50/47/928845047.db2.gz XJTIVXKIYKUMHU-AEFFLSMTSA-N 0 3 290.451 3.280 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCCOC3)CC2)cc1F ZINC001139530596 931953637 /nfs/dbraw/zinc/95/36/37/931953637.db2.gz QOTPEHOJLZDACS-UHFFFAOYSA-N 0 3 288.366 3.090 20 30 CGEDHN C=CCCCN(CC)CC(=O)NCc1ccc(CC)s1 ZINC001460899810 937551837 /nfs/dbraw/zinc/55/18/37/937551837.db2.gz KKPNEZZTOWCROY-UHFFFAOYSA-N 0 3 294.464 3.215 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](CC)CC(C)C)C1 ZINC001330073055 932034243 /nfs/dbraw/zinc/03/42/43/932034243.db2.gz YVSOCZYZOGMQFV-HUUCEWRRSA-N 0 3 280.456 3.071 20 30 CGEDHN CCN1CC[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227165336 932041655 /nfs/dbraw/zinc/04/16/55/932041655.db2.gz RLHLAEAPZABMIA-LLVKDONJSA-N 0 3 284.281 3.050 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C(C)C ZINC001228901024 932048145 /nfs/dbraw/zinc/04/81/45/932048145.db2.gz KTTCWZXDZZYPME-BFHYXJOUSA-N 0 3 286.847 3.048 20 30 CGEDHN CN1CCc2cc(O[C@@H](C#N)c3cccc(F)c3)ccc2C1 ZINC001228943783 932056621 /nfs/dbraw/zinc/05/66/21/932056621.db2.gz JSIWACHLEXXYMC-SFHVURJKSA-N 0 3 296.345 3.457 20 30 CGEDHN C#C[C@@H](CCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301650 932128994 /nfs/dbraw/zinc/12/89/94/932128994.db2.gz APPDEUXQACRTQB-HNNXBMFYSA-N 0 3 273.376 3.002 20 30 CGEDHN COc1ccc(CNCc2ccc(CC#N)cc2)cc1F ZINC001461611098 937588396 /nfs/dbraw/zinc/58/83/96/937588396.db2.gz ZHUMOJYUMLLXMH-UHFFFAOYSA-N 0 3 284.334 3.190 20 30 CGEDHN Cc1ccc2ncc(CNCc3ccc(C)c(C#N)c3)n2c1 ZINC001461751766 937595534 /nfs/dbraw/zinc/59/55/34/937595534.db2.gz QWHVIVWMUWWOMZ-UHFFFAOYSA-N 0 3 290.370 3.113 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001230721646 932614738 /nfs/dbraw/zinc/61/47/38/932614738.db2.gz TXBZREBDQDENAK-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCc3c2cc(F)cc3F)C1 ZINC001254643857 932725506 /nfs/dbraw/zinc/72/55/06/932725506.db2.gz NWGMEZGWYKKTIR-OSQNNJELSA-N 0 3 262.303 3.234 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C=C)c1ccccc1 ZINC001316608569 932747993 /nfs/dbraw/zinc/74/79/93/932747993.db2.gz HFQQRMDHFARIQQ-QZTJIDSGSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCCC(=O)NCCN(C)Cc1c(C)cc(C)cc1C ZINC001492212179 932810618 /nfs/dbraw/zinc/81/06/18/932810618.db2.gz CHTDZUZXDZBTOK-UHFFFAOYSA-N 0 3 288.435 3.126 20 30 CGEDHN C=C1CCC(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)CC1 ZINC001303544320 932828916 /nfs/dbraw/zinc/82/89/16/932828916.db2.gz RCSGBQDAFAATLU-HNNXBMFYSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C(CC)CC)[C@H]1CC ZINC001316732739 932848874 /nfs/dbraw/zinc/84/88/74/932848874.db2.gz IEHLMOZFJVBUHD-VNQPRFMTSA-N 0 3 280.456 3.214 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCCC2)C12CCCC2 ZINC001462392799 937638040 /nfs/dbraw/zinc/63/80/40/937638040.db2.gz GKTWQSZTUVSHRJ-CABCVRRESA-N 0 3 276.424 3.398 20 30 CGEDHN C=CC[C@H](C)N1CCN(Cc2ccc(CC)s2)CC1 ZINC001307484516 932959291 /nfs/dbraw/zinc/95/92/91/932959291.db2.gz KVZVNNLIOMLTFD-AWEZNQCLSA-N 0 3 278.465 3.393 20 30 CGEDHN C#CCN(CCSc1ccc(F)cc1F)CC1CC1 ZINC001307587476 932973379 /nfs/dbraw/zinc/97/33/79/932973379.db2.gz AGYTUFHLUSVRPD-UHFFFAOYSA-N 0 3 281.371 3.402 20 30 CGEDHN C=CCCCCN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001307794772 933002686 /nfs/dbraw/zinc/00/26/86/933002686.db2.gz VYIVEZJGIKNQMA-GJZGRUSLSA-N 0 3 280.456 3.310 20 30 CGEDHN C=CCCCN(CC)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC001308134905 933055812 /nfs/dbraw/zinc/05/58/12/933055812.db2.gz UKEXYXKBGLESBO-AWEZNQCLSA-N 0 3 292.398 3.291 20 30 CGEDHN C=CCCCN1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001316992207 933508800 /nfs/dbraw/zinc/50/88/00/933508800.db2.gz BOYIYZGCAARNOT-HNNXBMFYSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCC2CCCC2)C1 ZINC001317919107 933665115 /nfs/dbraw/zinc/66/51/15/933665115.db2.gz XTEUZVPCBJYNIQ-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)C[C@H](C)C2CC2)CCCC1 ZINC001318669719 933760850 /nfs/dbraw/zinc/76/08/50/933760850.db2.gz GDCQJQPHFOJNIK-LBPRGKRZSA-N 0 3 298.858 3.194 20 30 CGEDHN CS[C@H]1CC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC001319462748 933880668 /nfs/dbraw/zinc/88/06/68/933880668.db2.gz LZFJEAKTEFXLQR-CVEARBPZSA-N 0 3 277.408 3.393 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC12CCCC2)C(C)C ZINC001319955245 933965910 /nfs/dbraw/zinc/96/59/10/933965910.db2.gz CSRABYFILLSKRM-KGLIPLIRSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC001320304259 934028062 /nfs/dbraw/zinc/02/80/62/934028062.db2.gz WKSOVDQTCRFLSJ-DZGCQCFKSA-N 0 3 293.407 3.336 20 30 CGEDHN C#CCN(C[C@H](OC)c1ccc(Cl)cc1)CC1CC1 ZINC001321751294 934208499 /nfs/dbraw/zinc/20/84/99/934208499.db2.gz JXSZQFAMUOTHRO-INIZCTEOSA-N 0 3 277.795 3.373 20 30 CGEDHN C=CCCCCCCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001470384015 937752044 /nfs/dbraw/zinc/75/20/44/937752044.db2.gz DIINUKCQGVBXBD-HZPDHXFCSA-N 0 3 295.471 3.295 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)CC(C)(C)C1CC1 ZINC001322493213 934307025 /nfs/dbraw/zinc/30/70/25/934307025.db2.gz JODULCVLKVVPBN-UHFFFAOYSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCO[C@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001323731024 934422755 /nfs/dbraw/zinc/42/27/55/934422755.db2.gz WCVHOEXLVRSVCS-GOEBONIOSA-N 0 3 261.340 3.090 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1cc(C)c(OC)cc1C ZINC001324021110 934449346 /nfs/dbraw/zinc/44/93/46/934449346.db2.gz FLMLFELLIQNDEV-KGLIPLIRSA-N 0 3 263.381 3.164 20 30 CGEDHN CC(C)=CCCN1CCN(c2ccccc2C#N)CC1 ZINC001473140708 937794409 /nfs/dbraw/zinc/79/44/09/937794409.db2.gz VSMDSNZLCLUVRT-UHFFFAOYSA-N 0 3 269.392 3.037 20 30 CGEDHN C#CCCCCCCN1CCN(c2cccs2)CC1 ZINC001473266087 937799995 /nfs/dbraw/zinc/79/99/95/937799995.db2.gz RFOCYJMUZZQYAL-UHFFFAOYSA-N 0 3 276.449 3.454 20 30 CGEDHN CO[C@]1(C)C[C@@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001473482068 937808442 /nfs/dbraw/zinc/80/84/42/937808442.db2.gz CLNLVVWCNIQCMC-NVXWUHKLSA-N 0 3 291.822 3.485 20 30 CGEDHN CC#CCN1[C@@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001473595172 937813200 /nfs/dbraw/zinc/81/32/00/937813200.db2.gz RGACILYUAYQHQW-KKUMJFAQSA-N 0 3 294.439 3.023 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001326190879 934958190 /nfs/dbraw/zinc/95/81/90/934958190.db2.gz LFWMKCPOGXILEU-ZDUSSCGKSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCN(CC(=O)N(C)CC1CCCCC1)C(C)(C)C ZINC001473650801 937815769 /nfs/dbraw/zinc/81/57/69/937815769.db2.gz HOUYFJKSDYZEIE-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CC1CCN(c2c(C)cnc3ccccc32)CC1 ZINC001326766730 935004437 /nfs/dbraw/zinc/00/44/37/935004437.db2.gz JVDQISYQICDQRE-UHFFFAOYSA-N 0 3 250.345 3.393 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)CCC3CC3)cc2C1 ZINC001327684913 935076469 /nfs/dbraw/zinc/07/64/69/935076469.db2.gz JBNPFDCSPAZZQP-UHFFFAOYSA-N 0 3 298.430 3.385 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CC[C@H](C)c2ccsc21 ZINC001328091368 935116237 /nfs/dbraw/zinc/11/62/37/935116237.db2.gz OORPEBYGDQPDTF-DMDPSCGWSA-N 0 3 251.395 3.477 20 30 CGEDHN Cc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1C#N ZINC001331397182 935377070 /nfs/dbraw/zinc/37/70/70/935377070.db2.gz RRBIALQEBYAVFR-HNNXBMFYSA-N 0 3 276.330 3.488 20 30 CGEDHN C=CCCCN(CC)[C@H](C)c1nc(-c2cccnc2)no1 ZINC001333437095 935536143 /nfs/dbraw/zinc/53/61/43/935536143.db2.gz FWVGOJAWJDYXST-CYBMUJFWSA-N 0 3 286.379 3.481 20 30 CGEDHN C=CC[C@H]1CCCN(CN2C[C@H](c3ccccc3)CC2=O)C1 ZINC001333711318 936058577 /nfs/dbraw/zinc/05/85/77/936058577.db2.gz ZFXPGGFLMCVMSG-FUHWJXTLSA-N 0 3 298.430 3.248 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1cc(C)on1 ZINC001335316522 936139262 /nfs/dbraw/zinc/13/92/62/936139262.db2.gz HJHTYAXTCQHWDG-HNNXBMFYSA-N 0 3 295.427 3.019 20 30 CGEDHN C#C[C@@H](CCC)NC[C@H](O)c1ccccc1C(F)(F)F ZINC001335434436 936145560 /nfs/dbraw/zinc/14/55/60/936145560.db2.gz YBVLAJHOYQZRMI-FZMZJTMJSA-N 0 3 285.309 3.130 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cccc(OCC(C)C)c2)C1 ZINC001336757510 936214624 /nfs/dbraw/zinc/21/46/24/936214624.db2.gz VFKBVURMVMXRNF-SFHVURJKSA-N 0 3 289.419 3.498 20 30 CGEDHN C#C[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC001473868569 937826231 /nfs/dbraw/zinc/82/62/31/937826231.db2.gz SMUADRYKQCTMTQ-MRXNPFEDSA-N 0 3 266.388 3.475 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001479908041 937929244 /nfs/dbraw/zinc/92/92/44/937929244.db2.gz CKGFKEMQUMRHTO-HZPDHXFCSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CC12CCCC2)c1ccccc1 ZINC001493901657 937951849 /nfs/dbraw/zinc/95/18/49/937951849.db2.gz WQSNSPVEWIPUFV-DLBZAZTESA-N 0 3 298.430 3.200 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001494850935 937956607 /nfs/dbraw/zinc/95/66/07/937956607.db2.gz NMYRORKMHYJZRV-HZPDHXFCSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1CC(C)(C)C1)C1CC1 ZINC001495241131 937958516 /nfs/dbraw/zinc/95/85/16/937958516.db2.gz QOSYSZHMZVKAEZ-MRXNPFEDSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C(C)(CC)CC ZINC001499123910 937972764 /nfs/dbraw/zinc/97/27/64/937972764.db2.gz FQFWFQUMPHHQPN-CABCVRRESA-N 0 3 280.456 3.358 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001502139019 937981215 /nfs/dbraw/zinc/98/12/15/937981215.db2.gz ZOKLAFJLUYIPKY-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCCN(C[C@H](F)CC)CC1 ZINC001502135015 937981431 /nfs/dbraw/zinc/98/14/31/937981431.db2.gz FPBXCWPXODXNFM-CABCVRRESA-N 0 3 284.419 3.062 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001502836864 937983675 /nfs/dbraw/zinc/98/36/75/937983675.db2.gz UUKYGOQANITHBT-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001505678405 937986594 /nfs/dbraw/zinc/98/65/94/937986594.db2.gz NQCWZBFBQBDVGA-QWRGUYRKSA-N 0 3 293.238 3.145 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001506563041 937990579 /nfs/dbraw/zinc/99/05/79/937990579.db2.gz WRDCUCOQEHBPFO-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2(C)CCC(C)CC2)C1 ZINC001506683453 937991493 /nfs/dbraw/zinc/99/14/93/937991493.db2.gz RUEZUZXLTQEEMH-SWKXRBFHSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001506733614 937991791 /nfs/dbraw/zinc/99/17/91/937991791.db2.gz ZYNYRXIEWADSOC-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@H](NC/C=C/Cl)C[C@H]2C)CC1 ZINC001507320523 937995039 /nfs/dbraw/zinc/99/50/39/937995039.db2.gz NJMRAWKGHDSDAB-OLBOPLKTSA-N 0 3 296.842 3.064 20 30 CGEDHN C=CCN(C)CCN(C(=O)CC(C)(C)CC)C(C)C ZINC001507802075 937996989 /nfs/dbraw/zinc/99/69/89/937996989.db2.gz NMNMFMXYIMHHCC-UHFFFAOYSA-N 0 3 268.445 3.168 20 30 CGEDHN CC(C)c1ccc(C(=O)C(C#N)c2cccc(F)n2)cn1 ZINC001524705260 938044868 /nfs/dbraw/zinc/04/48/68/938044868.db2.gz PLDVSUUGXIBCLH-GFCCVEGCSA-N 0 3 283.306 3.229 20 30 CGEDHN N#CC(C(=O)CCc1ccccc1F)c1cccc(F)n1 ZINC001524704417 938044961 /nfs/dbraw/zinc/04/49/61/938044961.db2.gz KSQNFBBAOVXZOE-LBPRGKRZSA-N 0 3 286.281 3.169 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)C1CCCCC1 ZINC001542881477 938137334 /nfs/dbraw/zinc/13/73/34/938137334.db2.gz KLCKWRPNONRTRI-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(CCC)s1 ZINC001556466952 938204024 /nfs/dbraw/zinc/20/40/24/938204024.db2.gz TVUVBOMQGDTYKJ-UHFFFAOYSA-N 0 3 294.464 3.281 20 30 CGEDHN CN(C)[C@H](CNc1cc(F)ccc1C#N)c1cccs1 ZINC001559049078 938219533 /nfs/dbraw/zinc/21/95/33/938219533.db2.gz MLIFWVJMAASJSB-CQSZACIVSA-N 0 3 289.379 3.474 20 30 CGEDHN C=CCN(C)CCN(CC)c1nc2cccc(F)c2s1 ZINC001559223296 938222873 /nfs/dbraw/zinc/22/28/73/938222873.db2.gz FZHQDAXGLMNCCG-UHFFFAOYSA-N 0 3 293.411 3.380 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N1CC[C@H](C2CCCCC2)C1 ZINC001559977383 938240550 /nfs/dbraw/zinc/24/05/50/938240550.db2.gz SYLRKKOXJIZSDY-GJZGRUSLSA-N 0 3 265.397 3.006 20 30 CGEDHN C[C@@H]1CC[C@@H](NCC(C)(C)C#N)CN1Cc1ccccc1 ZINC001560741248 938273340 /nfs/dbraw/zinc/27/33/40/938273340.db2.gz QBBZHYAFKYQLNK-NVXWUHKLSA-N 0 3 285.435 3.179 20 30 CGEDHN C#C[C@@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001560822507 938277848 /nfs/dbraw/zinc/27/78/48/938277848.db2.gz GUEIVXCINNKCQT-MRXNPFEDSA-N 0 3 290.410 3.361 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001571565064 960468552 /nfs/dbraw/zinc/46/85/52/960468552.db2.gz QFIDEHRWZOTCFO-UONOGXRCSA-N 0 3 298.446 3.163 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](CCCC)C(C)C)C1 ZINC001567928135 960602644 /nfs/dbraw/zinc/60/26/44/960602644.db2.gz CBRDFHVEVSRFIE-IAGOWNOFSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(CCC)CCC ZINC001566754626 961003672 /nfs/dbraw/zinc/00/36/72/961003672.db2.gz LTULLYOMRAWUBD-CALCHBBNSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001567387204 961309224 /nfs/dbraw/zinc/30/92/24/961309224.db2.gz VRANPINWJMYUFX-CQSZACIVSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@H]1CCCC2(CC2)C1)C1CC1 ZINC001567442918 961336342 /nfs/dbraw/zinc/33/63/42/961336342.db2.gz OMERUQRCABVWPN-HNNXBMFYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001569154537 961706492 /nfs/dbraw/zinc/70/64/92/961706492.db2.gz CBZFJRYSGXIWEK-OAHLLOKOSA-N 0 3 298.430 3.490 20 30 CGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@H](C)CCC)C1 ZINC001569711364 961826326 /nfs/dbraw/zinc/82/63/26/961826326.db2.gz BETCKDGFZPWBIP-SJLPKXTDSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569913587 961869955 /nfs/dbraw/zinc/86/99/55/961869955.db2.gz TXCDJGPANHQCKE-GJZGRUSLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001570022484 961886622 /nfs/dbraw/zinc/88/66/22/961886622.db2.gz VKZCWKNXSAVUOG-OCCSQVGLSA-N 0 3 298.858 3.003 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)C2CC2)cc1 ZINC001570029999 961890396 /nfs/dbraw/zinc/89/03/96/961890396.db2.gz LVVLLJMTTGLCJM-CABCVRRESA-N 0 3 298.430 3.023 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC001570545828 962000160 /nfs/dbraw/zinc/00/01/60/962000160.db2.gz YKFMGTXLDIBRGK-OAHLLOKOSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001570907463 962104779 /nfs/dbraw/zinc/10/47/79/962104779.db2.gz HDWCLGVBTHSZHV-HOTGVXAUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(CC)CC)C(C)(C)C1 ZINC001570908360 962106815 /nfs/dbraw/zinc/10/68/15/962106815.db2.gz ZOXGKYOOAJGVTK-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001570897491 962110595 /nfs/dbraw/zinc/11/05/95/962110595.db2.gz SERHSRZXCUKIAG-OAHLLOKOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)CC(C)(C)C ZINC001571226000 962125330 /nfs/dbraw/zinc/12/53/30/962125330.db2.gz GAVRZFJYPNZDMQ-GFCCVEGCSA-N 0 3 274.836 3.050 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC001574902796 962327950 /nfs/dbraw/zinc/32/79/50/962327950.db2.gz GXWQHELDZQKQGS-HOTGVXAUSA-N 0 3 278.440 3.241 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC001574901501 962335459 /nfs/dbraw/zinc/33/54/59/962335459.db2.gz KLNAQNAUMOCIRR-HOTGVXAUSA-N 0 3 286.419 3.280 20 30 CGEDHN CCOC[C@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC000621293802 349490169 /nfs/dbraw/zinc/49/01/69/349490169.db2.gz HEZCBYIXKDQFPC-INIZCTEOSA-N 0 3 279.811 3.342 20 30 CGEDHN C=CCCc1noc(-c2ccc(CN(CC)CC)o2)n1 ZINC000651356874 398232804 /nfs/dbraw/zinc/23/28/04/398232804.db2.gz IHWKSWXWZBFTMP-UHFFFAOYSA-N 0 3 275.352 3.290 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(C[C@H](C)C2CCCCC2)CC1 ZINC000590168815 346834351 /nfs/dbraw/zinc/83/43/51/346834351.db2.gz HUYFABPDGDPYCD-FUHWJXTLSA-N 0 3 291.483 3.369 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@](CO)(C(C)C)C1 ZINC000590203752 346836650 /nfs/dbraw/zinc/83/66/50/346836650.db2.gz WURFKXJAFCXRFN-GOSISDBHSA-N 0 3 286.419 3.097 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc[nH]c(=O)c1 ZINC000590259527 346838885 /nfs/dbraw/zinc/83/88/85/346838885.db2.gz CZXJCORWNFBNOR-SJKOYZFVSA-N 0 3 293.370 3.387 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@H](c1ccsc1)N(C)C ZINC000590570802 346851816 /nfs/dbraw/zinc/85/18/16/346851816.db2.gz BRSLJDJPEOBWAO-CQSZACIVSA-N 0 3 286.404 3.038 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2csc(N(C)C)n2)C1 ZINC000651729040 398277376 /nfs/dbraw/zinc/27/73/76/398277376.db2.gz TZZATCXXQOEFTE-VXGBXAGGSA-N 0 3 265.426 3.044 20 30 CGEDHN C[C@H]1CSC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000590653600 346859386 /nfs/dbraw/zinc/85/93/86/346859386.db2.gz ZZDUKPSGSJNKHA-TVQRCGJNSA-N 0 3 266.797 3.053 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1c1ccncc1 ZINC000125436186 187184646 /nfs/dbraw/zinc/18/46/46/187184646.db2.gz QEZKUCAIOGHYFU-QGZVFWFLSA-N 0 3 293.370 3.169 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1 ZINC000652062468 398322017 /nfs/dbraw/zinc/32/20/17/398322017.db2.gz KUCJCLAQTTUTSU-HNNXBMFYSA-N 0 3 279.330 3.483 20 30 CGEDHN N#Cc1cccc(CNCC2([C@@H](O)c3ccccc3)CC2)c1 ZINC000269759402 190549209 /nfs/dbraw/zinc/54/92/09/190549209.db2.gz AILLLEITHAWMDZ-SFHVURJKSA-N 0 3 292.382 3.162 20 30 CGEDHN C[C@H](CCC#N)N1CCCO[C@@H](c2ccccc2)C1 ZINC000591013290 346894612 /nfs/dbraw/zinc/89/46/12/346894612.db2.gz WOCJZDNIGNEHKL-GDBMZVCRSA-N 0 3 258.365 3.142 20 30 CGEDHN Cc1cc(C#N)ccc1CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000591045375 346897333 /nfs/dbraw/zinc/89/73/33/346897333.db2.gz VCZYSTPGJFIBCS-RBUKOAKNSA-N 0 3 292.382 3.175 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C2CCC2)C1 ZINC000591062257 346898120 /nfs/dbraw/zinc/89/81/20/346898120.db2.gz ZRXWONHXSRGBDD-XJKSGUPXSA-N 0 3 297.402 3.007 20 30 CGEDHN CCOc1ccc(C[C@H](C)CNC[C@@H](C#N)CCC#N)cc1 ZINC000591376429 346918518 /nfs/dbraw/zinc/91/85/18/346918518.db2.gz BWLSCZPTIVJFCJ-DOTOQJQBSA-N 0 3 299.418 3.297 20 30 CGEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H](O)C(C)C ZINC000414297309 529667157 /nfs/dbraw/zinc/66/71/57/529667157.db2.gz PPRMNEAORBACTK-RLCCDNCMSA-N 0 3 278.371 3.143 20 30 CGEDHN CC[C@@H](O)CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000591758278 346934417 /nfs/dbraw/zinc/93/44/17/346934417.db2.gz RMFQBENJOSKYMS-QGZVFWFLSA-N 0 3 280.371 3.086 20 30 CGEDHN C=CCCCCNCc1ncc(Br)cc1F ZINC000623494887 349820343 /nfs/dbraw/zinc/82/03/43/349820343.db2.gz HMTIDBNMEYBJDR-UHFFFAOYSA-N 0 3 287.176 3.429 20 30 CGEDHN CCC[C@@H]1[C@H](C)CCCN1Cc1ccncc1C#N ZINC000592083398 346961536 /nfs/dbraw/zinc/96/15/36/346961536.db2.gz PKHAMTYRJQOBBK-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN CCC[C@H](C)[C@@H]1CCCN1Cc1ccncc1C#N ZINC000592076405 346961703 /nfs/dbraw/zinc/96/17/03/346961703.db2.gz ZLPIKOQFDKSMPU-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@]1(Cc2ccccc2F)CCCN1CCOCCC#N ZINC000592143822 346966890 /nfs/dbraw/zinc/96/68/90/346966890.db2.gz QNLDPKIKBKHYHE-QGZVFWFLSA-N 0 3 290.382 3.153 20 30 CGEDHN CC(C)O[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000592134066 346965742 /nfs/dbraw/zinc/96/57/42/346965742.db2.gz IUPMOEFYBKHRFI-CZUORRHYSA-N 0 3 258.365 3.119 20 30 CGEDHN CN(CCCC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347466937 529878890 /nfs/dbraw/zinc/87/88/90/529878890.db2.gz DTKXIYRCKNBCDC-HOTGVXAUSA-N 0 3 272.392 3.468 20 30 CGEDHN CC[C@H](C)C[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000592398188 346983717 /nfs/dbraw/zinc/98/37/17/346983717.db2.gz RGKNYTJQTDVAFK-OBJOEFQTSA-N 0 3 278.371 3.145 20 30 CGEDHN CC[C@H](C)C[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000592399337 346984646 /nfs/dbraw/zinc/98/46/46/346984646.db2.gz XIZLSFGUWPNDOR-SLEUVZQESA-N 0 3 278.371 3.145 20 30 CGEDHN N#CCCC1CCN(CCOc2cccc(F)c2)CC1 ZINC000573561336 334947268 /nfs/dbraw/zinc/94/72/68/334947268.db2.gz YXULVDARBJXPTD-UHFFFAOYSA-N 0 3 276.355 3.220 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593117979 347042052 /nfs/dbraw/zinc/04/20/52/347042052.db2.gz UOZFKOLUCDEXNS-BXUZGUMPSA-N 0 3 262.303 3.350 20 30 CGEDHN C[C@H](COCC1CC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000593183402 347048489 /nfs/dbraw/zinc/04/84/89/347048489.db2.gz WBBFUJYHFVYBTC-OLZOCXBDSA-N 0 3 258.365 3.024 20 30 CGEDHN N#CCCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000042307373 344981828 /nfs/dbraw/zinc/98/18/28/344981828.db2.gz PZNRRXVHBOMBOH-UHFFFAOYSA-N 0 3 277.799 3.156 20 30 CGEDHN CN(CCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046527556 345040626 /nfs/dbraw/zinc/04/06/26/345040626.db2.gz LVLMCPFOJWCJFA-UHFFFAOYSA-N 0 3 280.371 3.459 20 30 CGEDHN Cc1ccc(C)c(OCCCN2CCC(C#N)CC2)c1 ZINC000061040348 345225893 /nfs/dbraw/zinc/22/58/93/345225893.db2.gz LRRKHFLFRODBOX-UHFFFAOYSA-N 0 3 272.392 3.308 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075021476 345490661 /nfs/dbraw/zinc/49/06/61/345490661.db2.gz JDYQQNABLKOCNL-IUODEOHRSA-N 0 3 296.374 3.229 20 30 CGEDHN CC[C@H]1C[C@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075021475 345490787 /nfs/dbraw/zinc/49/07/87/345490787.db2.gz JDYQQNABLKOCNL-WFASDCNBSA-N 0 3 296.374 3.229 20 30 CGEDHN N#Cc1ccc(CN[C@H](CCCO)c2ccccc2)cc1 ZINC000077466766 345573964 /nfs/dbraw/zinc/57/39/64/345573964.db2.gz BVENPCBOOQMOPN-GOSISDBHSA-N 0 3 280.371 3.162 20 30 CGEDHN C#CCN1CCC(C(=O)NCC(C)(C)CCCCC)CC1 ZINC000087402352 345756111 /nfs/dbraw/zinc/75/61/11/345756111.db2.gz ZHXNUYHGTJVRLF-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN CC[C@H](CSC)N(C)CC#Cc1ccc(F)cc1 ZINC000091099376 345804142 /nfs/dbraw/zinc/80/41/42/345804142.db2.gz INYQVKHHTKOSDI-OAHLLOKOSA-N 0 3 265.397 3.251 20 30 CGEDHN CCC(CC)N(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000165330788 346183716 /nfs/dbraw/zinc/18/37/16/346183716.db2.gz MTDROGXEJTVECO-UHFFFAOYSA-N 0 3 291.420 3.211 20 30 CGEDHN Cc1cccc(CNCCOc2ccc(C#N)cc2)c1 ZINC000174561123 346243397 /nfs/dbraw/zinc/24/33/97/346243397.db2.gz XFYSFBJJZAKVJS-UHFFFAOYSA-N 0 3 266.344 3.035 20 30 CGEDHN Cc1ccccc1O[C@H](C)CNCc1ccc(C#N)cc1 ZINC000174590012 346244162 /nfs/dbraw/zinc/24/41/62/346244162.db2.gz MFYOUYYXMLXTTA-OAHLLOKOSA-N 0 3 280.371 3.424 20 30 CGEDHN Cc1cccc(O[C@@H](C)CNCc2cccc(C#N)c2)c1 ZINC000174571771 346244243 /nfs/dbraw/zinc/24/42/43/346244243.db2.gz YLJAJUWSBWEKMM-HNNXBMFYSA-N 0 3 280.371 3.424 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000624014136 349947539 /nfs/dbraw/zinc/94/75/39/349947539.db2.gz RVGOCCGXUDQRID-OAHLLOKOSA-N 0 3 299.418 3.330 20 30 CGEDHN CCOC[C@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000313465212 346479786 /nfs/dbraw/zinc/47/97/86/346479786.db2.gz CNPFVDBWHMVAPA-QGZVFWFLSA-N 0 3 272.392 3.258 20 30 CGEDHN COC[C@H](CC(C)(C)C)NCc1ccc(C#N)s1 ZINC000593633560 347097640 /nfs/dbraw/zinc/09/76/40/347097640.db2.gz QIAZSYZNTXUEAF-NSHDSACASA-N 0 3 266.410 3.161 20 30 CGEDHN N#CC[C@H]1CCCN(CCCOCc2ccccc2)C1 ZINC000397678043 346583945 /nfs/dbraw/zinc/58/39/45/346583945.db2.gz LCSGUIMFXSUIDV-MRXNPFEDSA-N 0 3 272.392 3.219 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccnc3ccccc23)C1 ZINC000397852346 346585189 /nfs/dbraw/zinc/58/51/89/346585189.db2.gz SEFFVYHTXZRCBV-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN CC[C@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000404015603 346598942 /nfs/dbraw/zinc/59/89/42/346598942.db2.gz WKUKSOQALNSBOI-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN C=CCCCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000531360951 346647023 /nfs/dbraw/zinc/64/70/23/346647023.db2.gz GTMNPPJUDZVRHC-UHFFFAOYSA-N 0 3 276.380 3.052 20 30 CGEDHN C=CCOCCN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000550065580 346655038 /nfs/dbraw/zinc/65/50/38/346655038.db2.gz ABDQIPGVRUDPBS-IUODEOHRSA-N 0 3 265.784 3.367 20 30 CGEDHN C[C@H](COCC1CC1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000593719777 347107858 /nfs/dbraw/zinc/10/78/58/347107858.db2.gz RHIPWPNACFAWDK-FZKQIMNGSA-N 0 3 284.403 3.340 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000589272753 346791991 /nfs/dbraw/zinc/79/19/91/346791991.db2.gz URZSIRGRLYUPOC-IRXDYDNUSA-N 0 3 284.403 3.256 20 30 CGEDHN N#Cc1ccc(CN(C2CC2)C2CCCCC2)nc1 ZINC000593945921 347121686 /nfs/dbraw/zinc/12/16/86/347121686.db2.gz UZRXYPJTUXVVGW-UHFFFAOYSA-N 0 3 255.365 3.250 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@H]2C2CCC2)nc1 ZINC000594016463 347138622 /nfs/dbraw/zinc/13/86/22/347138622.db2.gz XTTGNQDUXTZOGO-INIZCTEOSA-N 0 3 255.365 3.108 20 30 CGEDHN N#Cc1ccc(C2(NC[C@H]3CCCCO3)CCC2)cc1 ZINC000594033210 347141016 /nfs/dbraw/zinc/14/10/16/347141016.db2.gz XWVABUARTSEKLV-MRXNPFEDSA-N 0 3 270.376 3.096 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)ccc1F)[C@H]1CCCCO1 ZINC000594042125 347143587 /nfs/dbraw/zinc/14/35/87/347143587.db2.gz GRKCKZHKBPTSHN-HZPDHXFCSA-N 0 3 276.355 3.135 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCCCC#N)C1 ZINC000593967742 347125566 /nfs/dbraw/zinc/12/55/66/347125566.db2.gz XNLZYNONPINGRF-RDJZCZTQSA-N 0 3 299.418 3.022 20 30 CGEDHN COCCC1(C)CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594605887 347201753 /nfs/dbraw/zinc/20/17/53/347201753.db2.gz FHULNEGIZPDMEI-UHFFFAOYSA-N 0 3 286.419 3.346 20 30 CGEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1cccc(C)c1C ZINC000594428672 347173808 /nfs/dbraw/zinc/17/38/08/347173808.db2.gz NXAGJOQEHOPNMJ-OAHLLOKOSA-N 0 3 287.407 3.068 20 30 CGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594427320 347173852 /nfs/dbraw/zinc/17/38/52/347173852.db2.gz IITRYDADYMFRRT-ILXRZTDVSA-N 0 3 293.455 3.119 20 30 CGEDHN C=CCCCCCN[C@H](C)c1cc(C(=O)OC)co1 ZINC000594510068 347182930 /nfs/dbraw/zinc/18/29/30/347182930.db2.gz OLLMRNMOJFOOIM-GFCCVEGCSA-N 0 3 265.353 3.463 20 30 CGEDHN CC(C)[C@H](O)[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000594990798 347250318 /nfs/dbraw/zinc/25/03/18/347250318.db2.gz AIVZLOGGYDTRPB-OALUTQOASA-N 0 3 294.398 3.406 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000594987937 347250412 /nfs/dbraw/zinc/25/04/12/347250412.db2.gz NADNZZHDHMIGON-CABCVRRESA-N 0 3 288.391 3.367 20 30 CGEDHN C[C@@H]1C[C@@H](C)CN(CCSc2ccncc2C#N)C1 ZINC000594913673 347227952 /nfs/dbraw/zinc/22/79/52/347227952.db2.gz AVVXPPLSJKLWEW-CHWSQXEVSA-N 0 3 275.421 3.023 20 30 CGEDHN CCOc1ccc(CNCC2(CC#N)CC2)c(C)c1 ZINC000594936408 347235423 /nfs/dbraw/zinc/23/54/23/347235423.db2.gz LDKLVWVLQXXGDL-UHFFFAOYSA-N 0 3 258.365 3.177 20 30 CGEDHN C=CCCSCCNCc1ccc(OC)c(OC)c1 ZINC000594960628 347241727 /nfs/dbraw/zinc/24/17/27/347241727.db2.gz WVBKJIKUGWPWIG-UHFFFAOYSA-N 0 3 281.421 3.103 20 30 CGEDHN C=CCCSCCNCc1cnc(CC)s1 ZINC000594960492 347241815 /nfs/dbraw/zinc/24/18/15/347241815.db2.gz RNAWURBLDGHTHS-UHFFFAOYSA-N 0 3 256.440 3.104 20 30 CGEDHN C=CCCSCCNCc1ccc(C#N)c(F)c1 ZINC000594968553 347244378 /nfs/dbraw/zinc/24/43/78/347244378.db2.gz RYARFBGYPPBJMS-UHFFFAOYSA-N 0 3 264.369 3.096 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000594969367 347245234 /nfs/dbraw/zinc/24/52/34/347245234.db2.gz OREDMNJYWCQNMN-JOCQHMNTSA-N 0 3 298.308 3.234 20 30 CGEDHN COCc1csc(CNCc2cc(C#N)cs2)c1 ZINC000594985707 347249469 /nfs/dbraw/zinc/24/94/69/347249469.db2.gz NLSDAVCKBJLZCF-UHFFFAOYSA-N 0 3 278.402 3.117 20 30 CGEDHN N#Cc1ccc(CCN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000595288754 347286538 /nfs/dbraw/zinc/28/65/38/347286538.db2.gz LNWMIBFGASWMFC-AWEZNQCLSA-N 0 3 282.309 3.375 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1cc2cnccc2o1 ZINC000595053615 347271080 /nfs/dbraw/zinc/27/10/80/347271080.db2.gz WTWHSHWVSUJJAL-NSHDSACASA-N 0 3 257.337 3.418 20 30 CGEDHN C=CCCN[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000595057734 347272512 /nfs/dbraw/zinc/27/25/12/347272512.db2.gz DIAOWIHNEZERNA-LBPRGKRZSA-N 0 3 277.364 3.308 20 30 CGEDHN COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000595071421 347276873 /nfs/dbraw/zinc/27/68/73/347276873.db2.gz YZUMKZHFPUALHZ-LXZKKBNFSA-N 0 3 288.391 3.055 20 30 CGEDHN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1ccc(C#N)c(F)c1 ZINC000595082802 347279547 /nfs/dbraw/zinc/27/95/47/347279547.db2.gz XYUIMPHRJLZWGG-TYNCELHUSA-N 0 3 276.355 3.306 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC000595099303 347283440 /nfs/dbraw/zinc/28/34/40/347283440.db2.gz KSRRJOOUMUSSBQ-JQWIXIFHSA-N 0 3 294.301 3.180 20 30 CGEDHN C[C@H](NC[C@@H]1CCOC1(C)C)c1ccc(C#N)cc1F ZINC000595104928 347284323 /nfs/dbraw/zinc/28/43/23/347284323.db2.gz ALAPOOSNZKDXAV-AAEUAGOBSA-N 0 3 276.355 3.163 20 30 CGEDHN COc1ccc(OCCCN2CCC[C@H](CC#N)C2)cc1 ZINC000595611950 347326795 /nfs/dbraw/zinc/32/67/95/347326795.db2.gz PWJUEEVLQYIJET-OAHLLOKOSA-N 0 3 288.391 3.090 20 30 CGEDHN N#CCSCCCN1CCC(c2ccco2)CC1 ZINC000595617762 347328248 /nfs/dbraw/zinc/32/82/48/347328248.db2.gz KKNGGIYEDSIADE-UHFFFAOYSA-N 0 3 264.394 3.106 20 30 CGEDHN CCc1ccccc1CCN1CCC[C@@H](CC#N)C1 ZINC000595623118 347329220 /nfs/dbraw/zinc/32/92/20/347329220.db2.gz HZILSFLOQNKESQ-HNNXBMFYSA-N 0 3 256.393 3.417 20 30 CGEDHN CCC(C)(C)[C@@H](C)NCc1cccc(C(=O)OC)c1C#N ZINC000595641285 347332012 /nfs/dbraw/zinc/33/20/12/347332012.db2.gz HMVNOOAOWVFCGA-GFCCVEGCSA-N 0 3 288.391 3.259 20 30 CGEDHN N#Cc1cccc(CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595781713 347355189 /nfs/dbraw/zinc/35/51/89/347355189.db2.gz GEOOVBMPIWGEJD-GOSISDBHSA-N 0 3 284.403 3.339 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595788029 347355786 /nfs/dbraw/zinc/35/57/86/347355786.db2.gz MFLLKVWAXPMAFC-QZTJIDSGSA-N 0 3 284.403 3.339 20 30 CGEDHN CCc1nc([C@H](C)NCCc2ccc(C#N)cc2)cs1 ZINC000595429944 347302360 /nfs/dbraw/zinc/30/23/60/347302360.db2.gz PYECWTRTZUGKSX-LBPRGKRZSA-N 0 3 285.416 3.470 20 30 CGEDHN CC(C)[C@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CCN1C ZINC000595463041 347307405 /nfs/dbraw/zinc/30/74/05/347307405.db2.gz YJPGXAQCOLOZSG-JKSUJKDBSA-N 0 3 291.826 3.177 20 30 CGEDHN CO[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595548614 347318226 /nfs/dbraw/zinc/31/82/26/347318226.db2.gz CQSIXLSXZYUCSL-CXAGYDPISA-N 0 3 272.392 3.366 20 30 CGEDHN CO[C@@H](CNC1(c2ccc(C#N)cc2)CCC1)C1CCC1 ZINC000595562055 347319496 /nfs/dbraw/zinc/31/94/96/347319496.db2.gz MEMALMPHOYJNSW-KRWDZBQOSA-N 0 3 284.403 3.342 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CC1=CCSC1 ZINC000595888476 347370901 /nfs/dbraw/zinc/37/09/01/347370901.db2.gz NAJJHFBUUJUHSH-LBPRGKRZSA-N 0 3 258.390 3.224 20 30 CGEDHN COCC1(NCc2ccc(C#N)c(F)c2)CCCCC1 ZINC000595910166 347371615 /nfs/dbraw/zinc/37/16/15/347371615.db2.gz RAICAPVJNKQDDU-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(N)c1 ZINC000596649741 347498700 /nfs/dbraw/zinc/49/87/00/347498700.db2.gz GMVQIJYSULGKGN-SFHVURJKSA-N 0 3 277.371 3.308 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000597174742 347544534 /nfs/dbraw/zinc/54/45/34/347544534.db2.gz UNFMGSSRGLAHPH-CQSZACIVSA-N 0 3 280.375 3.202 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012965 347527852 /nfs/dbraw/zinc/52/78/52/347527852.db2.gz GDQYZOOWYSFSCV-JKSUJKDBSA-N 0 3 297.446 3.156 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(C(=O)OC)cc1F ZINC000597222332 347556546 /nfs/dbraw/zinc/55/65/46/347556546.db2.gz MCZRXAHSEVZXKX-VXGBXAGGSA-N 0 3 279.355 3.303 20 30 CGEDHN CN(c1ccccc1)[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000597224427 347557862 /nfs/dbraw/zinc/55/78/62/347557862.db2.gz FGWPMGLRBQJXFT-MRXNPFEDSA-N 0 3 297.427 3.330 20 30 CGEDHN CC[C@@](C)(NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598251851 347638710 /nfs/dbraw/zinc/63/87/10/347638710.db2.gz WFPRQQSHWJOUEM-MAUKXSAKSA-N 0 3 284.403 3.454 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000597945408 347607941 /nfs/dbraw/zinc/60/79/41/347607941.db2.gz ROIOETUVVABPDZ-WBMJQRKESA-N 0 3 290.794 3.423 20 30 CGEDHN Cc1c(CNC[C@H](O)CC(C)(C)C#N)oc2ccccc12 ZINC000598718535 347682329 /nfs/dbraw/zinc/68/23/29/347682329.db2.gz GERJZQURGCZHBP-CYBMUJFWSA-N 0 3 286.375 3.132 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000598777908 347687338 /nfs/dbraw/zinc/68/73/38/347687338.db2.gz YIOYCPHYSDLARC-SNVBAGLBSA-N 0 3 296.292 3.360 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1Cl ZINC000598982878 347703774 /nfs/dbraw/zinc/70/37/74/347703774.db2.gz RUFIKCXWMZMWAC-CMPLNLGQSA-N 0 3 264.756 3.130 20 30 CGEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCCCO1 ZINC000599055914 347711531 /nfs/dbraw/zinc/71/15/31/347711531.db2.gz UJDUZADRDQVIBA-YOEHRIQHSA-N 0 3 284.403 3.485 20 30 CGEDHN N#Cc1ccc(CCN[C@H]2CCCc3scnc32)cc1 ZINC000599056677 347712326 /nfs/dbraw/zinc/71/23/26/347712326.db2.gz YOMFANBMYUIUSG-AWEZNQCLSA-N 0 3 283.400 3.224 20 30 CGEDHN C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(C#N)cc1 ZINC000599062315 347712996 /nfs/dbraw/zinc/71/29/96/347712996.db2.gz VFAWMYMHNHOSQM-LIRRHRJNSA-N 0 3 292.382 3.350 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000598585232 347666664 /nfs/dbraw/zinc/66/66/64/347666664.db2.gz AKWGJHKNLKBIAQ-HZPDHXFCSA-N 0 3 290.382 3.263 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598588149 347667497 /nfs/dbraw/zinc/66/74/97/347667497.db2.gz YXLJECYRZDZVBQ-QGZVFWFLSA-N 0 3 286.419 3.018 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592118 347667798 /nfs/dbraw/zinc/66/77/98/347667798.db2.gz FXHOANYYHBMFPA-KBPBESRZSA-N 0 3 276.380 3.026 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000598605102 347670510 /nfs/dbraw/zinc/67/05/10/347670510.db2.gz YUOPBQNXCBZQHE-LSSLULSBSA-N 0 3 298.430 3.465 20 30 CGEDHN CC(C)[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598627448 347673081 /nfs/dbraw/zinc/67/30/81/347673081.db2.gz UFHAZSWTJDNEFI-CJNGLKHVSA-N 0 3 292.398 3.413 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599641337 347761818 /nfs/dbraw/zinc/76/18/18/347761818.db2.gz NJYRMFSNMDBPPJ-CQSZACIVSA-N 0 3 288.395 3.039 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC2(CC2)CC1 ZINC000599672101 347763257 /nfs/dbraw/zinc/76/32/57/347763257.db2.gz ALKHIBZXGVDZCM-CQSZACIVSA-N 0 3 297.402 3.151 20 30 CGEDHN N#CCc1cccc2c1CCN(CC1=CCCC1)C2 ZINC000599677783 347764740 /nfs/dbraw/zinc/76/47/40/347764740.db2.gz LBCVUTHAOARCOC-UHFFFAOYSA-N 0 3 252.361 3.221 20 30 CGEDHN CC1(C)CCC[C@@](CO)(NCc2cc(C#N)ccc2F)C1 ZINC000599594766 347756885 /nfs/dbraw/zinc/75/68/85/347756885.db2.gz IXEIKKKGEVZXRR-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN N#Cc1csc(CN2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000600214009 347794934 /nfs/dbraw/zinc/79/49/34/347794934.db2.gz KBDLXHXZCPYWHY-CQSZACIVSA-N 0 3 284.384 3.315 20 30 CGEDHN N#CC1(C[C@@H](O)CNCc2ccc(-c3ccccc3)o2)CC1 ZINC000600717631 347829976 /nfs/dbraw/zinc/82/99/76/347829976.db2.gz CDRCDJLELLGETP-OAHLLOKOSA-N 0 3 296.370 3.091 20 30 CGEDHN C=CC(C)(C)CCNCc1cc(C)c(C(=O)OC)o1 ZINC000600182960 347790425 /nfs/dbraw/zinc/79/04/25/347790425.db2.gz BBHCXWKXVUCXNG-UHFFFAOYSA-N 0 3 265.353 3.067 20 30 CGEDHN CC(C)c1ccc([C@H](N)CNCc2ccc(C#N)o2)cc1 ZINC000600767601 347832375 /nfs/dbraw/zinc/83/23/75/347832375.db2.gz BTAWKLBYIBJUPO-QGZVFWFLSA-N 0 3 283.375 3.064 20 30 CGEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(C#N)s2)cc1 ZINC000600776654 347833905 /nfs/dbraw/zinc/83/39/05/347833905.db2.gz PRGIUJDYIGQCHQ-MEDUHNTESA-N 0 3 284.384 3.336 20 30 CGEDHN C[C@H](NC[C@H]1CC(C)(C)CO1)c1ccc(C#N)cc1 ZINC000601942377 347927201 /nfs/dbraw/zinc/92/72/01/347927201.db2.gz SONKWCYWGLRDOI-SWLSCSKDSA-N 0 3 258.365 3.024 20 30 CGEDHN N#CC1(C[C@H](O)CNCc2ccc(Cl)c(Cl)c2)CC1 ZINC000601960130 347929268 /nfs/dbraw/zinc/92/92/68/347929268.db2.gz PBWOTPIESGOVDE-NSHDSACASA-N 0 3 299.201 3.138 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H]1CCOC2(CCCC2)C1 ZINC000602012364 347932568 /nfs/dbraw/zinc/93/25/68/347932568.db2.gz OXBNJZMZBQVNOX-CQSZACIVSA-N 0 3 288.366 3.279 20 30 CGEDHN N#Cc1cccc(CN(C2CC2)C2CCCCC2)n1 ZINC000602441314 347959064 /nfs/dbraw/zinc/95/90/64/347959064.db2.gz XFPMDNRUNFTNQJ-UHFFFAOYSA-N 0 3 255.365 3.250 20 30 CGEDHN Cc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccc1F ZINC000602506108 347972304 /nfs/dbraw/zinc/97/23/04/347972304.db2.gz HJQJIBFYVZLGGO-CQSZACIVSA-N 0 3 290.382 3.323 20 30 CGEDHN C[C@@H](CCNCc1cccc(C#N)n1)c1ccccc1 ZINC000602526181 347975972 /nfs/dbraw/zinc/97/59/72/347975972.db2.gz NGIONFXOHIHUOY-AWEZNQCLSA-N 0 3 265.360 3.237 20 30 CGEDHN CC[C@@H](CNCc1cccc(C#N)n1)Oc1ccccc1F ZINC000602566329 347983700 /nfs/dbraw/zinc/98/37/00/347983700.db2.gz HIJUZXFKRJQZIN-HNNXBMFYSA-N 0 3 299.349 3.040 20 30 CGEDHN CCN(CC1(CC#N)CC1)[C@@H](C)c1cccc(O)c1 ZINC000602781440 348027977 /nfs/dbraw/zinc/02/79/77/348027977.db2.gz XVMVXKBEZSPIKN-ZDUSSCGKSA-N 0 3 258.365 3.469 20 30 CGEDHN N#CC1CCC(N[C@@H]2COc3cc(F)cc(F)c32)CC1 ZINC000602609067 347992701 /nfs/dbraw/zinc/99/27/01/347992701.db2.gz QQWMBYWXSCTJIH-QEIKUCIBSA-N 0 3 278.302 3.070 20 30 CGEDHN C[C@@H](CCC#N)CNCc1c(F)cc(F)c(F)c1F ZINC000602638926 347998386 /nfs/dbraw/zinc/99/83/86/347998386.db2.gz HNUSTDMCLKUJGU-QMMMGPOBSA-N 0 3 274.261 3.272 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2N)C1 ZINC000602692841 348010555 /nfs/dbraw/zinc/01/05/55/348010555.db2.gz CDTZBZRXUHJENI-GZMMTYOYSA-N 0 3 284.190 3.357 20 30 CGEDHN CC[C@H](Cc1ccc(F)cc1)NCc1cccc(C#N)n1 ZINC000602704502 348013354 /nfs/dbraw/zinc/01/33/54/348013354.db2.gz GQQMIZSZIDVZHX-OAHLLOKOSA-N 0 3 283.350 3.203 20 30 CGEDHN N#Cc1cccc(CNCC(C2CCC2)C2CCC2)n1 ZINC000602721545 348017064 /nfs/dbraw/zinc/01/70/64/348017064.db2.gz UEPJMAGOLVDYRV-UHFFFAOYSA-N 0 3 269.392 3.259 20 30 CGEDHN C[C@H](CCC#N)CN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000602720397 348017244 /nfs/dbraw/zinc/01/72/44/348017244.db2.gz ZOWQILLNJRYEBV-GDBMZVCRSA-N 0 3 288.391 3.373 20 30 CGEDHN Cc1ccccc1CN1CCCN(CC2(CC#N)CC2)CC1 ZINC000602759776 348024775 /nfs/dbraw/zinc/02/47/75/348024775.db2.gz LAXPFULXBAZLJD-UHFFFAOYSA-N 0 3 297.446 3.197 20 30 CGEDHN C[C@@H](CNCc1cccc(C#N)n1)Sc1ccccc1 ZINC000602562501 347982787 /nfs/dbraw/zinc/98/27/87/347982787.db2.gz WHRXWDYUIHIZAG-ZDUSSCGKSA-N 0 3 283.400 3.224 20 30 CGEDHN N#CCC1(CN2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000602795295 348030434 /nfs/dbraw/zinc/03/04/34/348030434.db2.gz LEUKCCDMHWVIIM-MRXNPFEDSA-N 0 3 269.392 3.257 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000602796607 348030689 /nfs/dbraw/zinc/03/06/89/348030689.db2.gz BUZNZCOYVQYCPO-ZDUSSCGKSA-N 0 3 297.402 3.380 20 30 CGEDHN Cc1ccc([C@H]2CCN(CC3(CC#N)CC3)C2)cc1 ZINC000602803725 348031607 /nfs/dbraw/zinc/03/16/07/348031607.db2.gz FYPRHBGGPVASAH-INIZCTEOSA-N 0 3 254.377 3.478 20 30 CGEDHN N#CCC1(CN[C@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000602832526 348034647 /nfs/dbraw/zinc/03/46/47/348034647.db2.gz OPENKDOSXFSWAA-MRXNPFEDSA-N 0 3 284.403 3.174 20 30 CGEDHN N#CCC1(CN2CC[C@@H](c3ccc4cccnc4n3)C2)CC1 ZINC000602881292 348039658 /nfs/dbraw/zinc/03/96/58/348039658.db2.gz GEVDUVIYVQGGLZ-OAHLLOKOSA-N 0 3 292.386 3.113 20 30 CGEDHN CN(CCCCC1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602982564 348052522 /nfs/dbraw/zinc/05/25/22/348052522.db2.gz UVWXAUHHDASDLT-HOTGVXAUSA-N 0 3 264.413 3.207 20 30 CGEDHN C[C@H]1Cc2ccccc2N1C1CCN(CCCC#N)CC1 ZINC000604483286 348121475 /nfs/dbraw/zinc/12/14/75/348121475.db2.gz LDKRNOCHTFMQMP-HNNXBMFYSA-N 0 3 283.419 3.206 20 30 CGEDHN N#CCCC[C@H](NCc1ccncc1N)c1ccccc1 ZINC000603430280 348083019 /nfs/dbraw/zinc/08/30/19/348083019.db2.gz ZLJVZWUUAAGXOI-KRWDZBQOSA-N 0 3 280.375 3.189 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NCc1cccc(C)c1 ZINC000606902673 348206783 /nfs/dbraw/zinc/20/67/83/348206783.db2.gz OELCNYQTDHHICY-UHFFFAOYSA-N 0 3 288.435 3.289 20 30 CGEDHN CC[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000609676710 348350515 /nfs/dbraw/zinc/35/05/15/348350515.db2.gz LGRPBJJTXVVPTE-DLBZAZTESA-N 0 3 299.418 3.033 20 30 CGEDHN N#Cc1ccccc1OCCN1CCCc2sccc2C1 ZINC000609322605 348342098 /nfs/dbraw/zinc/34/20/98/348342098.db2.gz FXMBRPUBNXGXCD-UHFFFAOYSA-N 0 3 298.411 3.447 20 30 CGEDHN CC(C)(C)N1CCCN(c2ccc(C#N)cc2F)CC1 ZINC000609560691 348346606 /nfs/dbraw/zinc/34/66/06/348346606.db2.gz QNROTEIDMUUABT-UHFFFAOYSA-N 0 3 275.371 3.008 20 30 CGEDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1ccnc(C#N)c1 ZINC000610993709 348416100 /nfs/dbraw/zinc/41/61/00/348416100.db2.gz DCYRHAIXATZSDE-CRAIPNDOSA-N 0 3 291.398 3.406 20 30 CGEDHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccnc(C#N)c1 ZINC000610993444 348416422 /nfs/dbraw/zinc/41/64/22/348416422.db2.gz SOFMUTBGJUSVAE-YOEHRIQHSA-N 0 3 277.371 3.331 20 30 CGEDHN CCN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000611091894 348422405 /nfs/dbraw/zinc/42/24/05/348422405.db2.gz BYXDUGABJSUJHL-OAHLLOKOSA-N 0 3 285.435 3.014 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@@H](c1cccs1)N(C)C ZINC000611399135 348447105 /nfs/dbraw/zinc/44/71/05/348447105.db2.gz PXEJTRHYZLFTKN-ZDUSSCGKSA-N 0 3 286.404 3.038 20 30 CGEDHN N#Cc1ccccc1-c1ccc(CNC2CSC2)cc1 ZINC000611564113 348461327 /nfs/dbraw/zinc/46/13/27/348461327.db2.gz IPGHPQUIESVTCB-UHFFFAOYSA-N 0 3 280.396 3.430 20 30 CGEDHN CC(C)(C)OC(=O)C1CCC(NCC(C)(C)C#N)CC1 ZINC000612584894 348530524 /nfs/dbraw/zinc/53/05/24/348530524.db2.gz GOMGGTDDLHLXSQ-UHFFFAOYSA-N 0 3 280.412 3.026 20 30 CGEDHN CCN1CCC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613414700 348599202 /nfs/dbraw/zinc/59/92/02/348599202.db2.gz KDVJSZXGLVXELD-AWEZNQCLSA-N 0 3 286.423 3.147 20 30 CGEDHN C[C@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000613426129 348600402 /nfs/dbraw/zinc/60/04/02/348600402.db2.gz SHTFQUUQZYYMKG-GXTWGEPZSA-N 0 3 286.423 3.145 20 30 CGEDHN CO[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000615231179 348725344 /nfs/dbraw/zinc/72/53/44/348725344.db2.gz BVRIHRHYFJXMHE-AWEZNQCLSA-N 0 3 278.783 3.213 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccccc2C#N)C[C@@H]1OC ZINC000339511950 215221183 /nfs/dbraw/zinc/22/11/83/215221183.db2.gz ZVSKGJLEJYXJAU-CVEARBPZSA-N 0 3 272.392 3.242 20 30 CGEDHN C[C@@H](NC[C@H]1CCCS1)c1ccc(C#N)cc1F ZINC000358570004 233157175 /nfs/dbraw/zinc/15/71/75/233157175.db2.gz MZVYOJKHACIOAD-ZYHUDNBSSA-N 0 3 264.369 3.244 20 30 CGEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618741281 349151535 /nfs/dbraw/zinc/15/15/35/349151535.db2.gz DATLYJDQOHBLOH-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000618807008 349156798 /nfs/dbraw/zinc/15/67/98/349156798.db2.gz UNTLNPSCCYSRNY-YVEFUNNKSA-N 0 3 263.344 3.291 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000618887827 349175599 /nfs/dbraw/zinc/17/55/99/349175599.db2.gz KWSWDFMCSOMKBK-GJZGRUSLSA-N 0 3 291.464 3.367 20 30 CGEDHN CO[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000619673037 349268938 /nfs/dbraw/zinc/26/89/38/349268938.db2.gz IGPNNJQSIZMWLV-LALPHHSUSA-N 0 3 278.783 3.309 20 30 CGEDHN C[C@H](NCCOc1ccccc1C#N)c1ccsc1 ZINC000619782910 349285194 /nfs/dbraw/zinc/28/51/94/349285194.db2.gz ODMFGVHGWYYKPA-LBPRGKRZSA-N 0 3 272.373 3.349 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccco1 ZINC000624222715 350006782 /nfs/dbraw/zinc/00/67/82/350006782.db2.gz CYMNZGYHZOOBDX-DZKIICNBSA-N 0 3 261.365 3.444 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000625702332 350199399 /nfs/dbraw/zinc/19/93/99/350199399.db2.gz XLUNOCDLTNDDIH-INIZCTEOSA-N 0 3 298.430 3.080 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000625703235 350199726 /nfs/dbraw/zinc/19/97/26/350199726.db2.gz MJKIUGJTESJOTJ-CQSZACIVSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000625535958 350182345 /nfs/dbraw/zinc/18/23/45/350182345.db2.gz YAUITCWTTZPRMC-WBVHZDCISA-N 0 3 290.451 3.208 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc3ccccc3n2)C1 ZINC000625703792 350200175 /nfs/dbraw/zinc/20/01/75/350200175.db2.gz SSBLFLHEYUYHKE-ZDUSSCGKSA-N 0 3 253.349 3.028 20 30 CGEDHN C=CCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800546 350215733 /nfs/dbraw/zinc/21/57/33/350215733.db2.gz KHIZRATYQUTALW-KRWDZBQOSA-N 0 3 271.360 3.063 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000628404963 350528165 /nfs/dbraw/zinc/52/81/65/350528165.db2.gz AEGRMEWFOKVSJC-GXTWGEPZSA-N 0 3 278.421 3.393 20 30 CGEDHN CC(C)[C@@H]1N(C[C@@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000291932751 198109727 /nfs/dbraw/zinc/10/97/27/198109727.db2.gz OPGCTOZEVUAEQD-SJORKVTESA-N 0 3 284.403 3.102 20 30 CGEDHN COCC[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000364248870 234028082 /nfs/dbraw/zinc/02/80/82/234028082.db2.gz BKDXXALVWGXQTN-ZDUSSCGKSA-N 0 3 278.421 3.258 20 30 CGEDHN COc1cc(C#N)ccc1CN(C1CCC1)C1CCC1 ZINC000292127846 198174260 /nfs/dbraw/zinc/17/42/60/198174260.db2.gz BBAAMRFUWKVDBL-UHFFFAOYSA-N 0 3 270.376 3.474 20 30 CGEDHN CC#CCCN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000155095493 188182511 /nfs/dbraw/zinc/18/25/11/188182511.db2.gz ADNVURDMWQYNKB-UHFFFAOYSA-N 0 3 283.318 3.142 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCOC(F)(F)F ZINC000360882491 283192126 /nfs/dbraw/zinc/19/21/26/283192126.db2.gz DUDRFHIVEHUOLX-CQSZACIVSA-N 0 3 298.308 3.452 20 30 CGEDHN CN(CCc1cccs1)Cc1cc(C#N)cs1 ZINC000093685590 138348595 /nfs/dbraw/zinc/34/85/95/138348595.db2.gz JTDQWHBLVNRJPP-UHFFFAOYSA-N 0 3 262.403 3.356 20 30 CGEDHN COCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000426332578 236288636 /nfs/dbraw/zinc/28/86/36/236288636.db2.gz RLTCCCZHTNTYIL-NSHDSACASA-N 0 3 264.344 3.021 20 30 CGEDHN N#Cc1cccc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436250060 237056177 /nfs/dbraw/zinc/05/61/77/237056177.db2.gz GECFFRYMOYFBSQ-UHFFFAOYSA-N 0 3 279.318 3.468 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C1CC(OC(C)(C)C)C1 ZINC000341666984 216056447 /nfs/dbraw/zinc/05/64/47/216056447.db2.gz QUSXUXWCVWWWAI-UHFFFAOYSA-N 0 3 272.392 3.336 20 30 CGEDHN C[C@@H](NC[C@H](C)C(F)(F)F)c1cccc(C#N)c1 ZINC000341780028 216100501 /nfs/dbraw/zinc/10/05/01/216100501.db2.gz QRWJOHNRXBZIHR-VHSXEESVSA-N 0 3 256.271 3.407 20 30 CGEDHN CC/C=C\CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000342228407 216268289 /nfs/dbraw/zinc/26/82/89/216268289.db2.gz DHFOEKNIGLMWOI-ARJAWSKDSA-N 0 3 283.419 3.032 20 30 CGEDHN C[C@@H]1CCCN(CCNc2c(Cl)cccc2C#N)C1 ZINC000301508361 201038011 /nfs/dbraw/zinc/03/80/11/201038011.db2.gz HRUZCBMCRFIGKX-GFCCVEGCSA-N 0 3 277.799 3.355 20 30 CGEDHN CN1CC[C@@H](Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000301820652 201216868 /nfs/dbraw/zinc/21/68/68/201216868.db2.gz BBISFXAHTMAFSL-QZTJIDSGSA-N 0 3 277.371 3.416 20 30 CGEDHN C[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184585952 189390000 /nfs/dbraw/zinc/39/00/00/189390000.db2.gz VVCOLGVZPOGJTB-IUODEOHRSA-N 0 3 296.374 3.277 20 30 CGEDHN C=C(C)[C@H](NC(=O)CN(CC)CC)c1ccc(F)c(F)c1 ZINC000184859447 189397710 /nfs/dbraw/zinc/39/77/10/189397710.db2.gz KOQVNLCNWGFLPY-INIZCTEOSA-N 0 3 296.361 3.040 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000184946247 189399438 /nfs/dbraw/zinc/39/94/38/189399438.db2.gz DRCCHIQUKOUXRE-MRXNPFEDSA-N 0 3 288.435 3.179 20 30 CGEDHN N#Cc1ccc(CNCC[C@@H]2CCc3ccccc32)o1 ZINC000449381912 239370106 /nfs/dbraw/zinc/37/01/06/239370106.db2.gz ZTQIPCUZPTXELJ-AWEZNQCLSA-N 0 3 266.344 3.361 20 30 CGEDHN C[C@@H]1CCC(C)(C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000452000093 240390199 /nfs/dbraw/zinc/39/01/99/240390199.db2.gz BQAFWAILOFBLDW-GFCCVEGCSA-N 0 3 296.374 3.371 20 30 CGEDHN C=CCN(C)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000121590684 370877224 /nfs/dbraw/zinc/87/72/24/370877224.db2.gz GTTCTWQWSWEDLG-UHFFFAOYSA-N 0 3 281.783 3.162 20 30 CGEDHN C=CCc1cc(CN2CCC[C@H]2C)cc(OC)c1O ZINC000124323951 370922673 /nfs/dbraw/zinc/92/26/73/370922673.db2.gz OSRGDPHGXFGNLF-GFCCVEGCSA-N 0 3 261.365 3.114 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H](COC)C2)c1 ZINC000124729515 370927646 /nfs/dbraw/zinc/92/76/46/370927646.db2.gz WMHBIOUWMXAVSE-MRXNPFEDSA-N 0 3 275.392 3.110 20 30 CGEDHN CC(C)CN(CC(=O)Nc1sccc1C#N)CC(C)C ZINC000026647199 368862698 /nfs/dbraw/zinc/86/26/98/368862698.db2.gz IKOGKPRCFFVTHM-UHFFFAOYSA-N 0 3 293.436 3.172 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(Cl)c(F)c1 ZINC000127812783 370956056 /nfs/dbraw/zinc/95/60/56/370956056.db2.gz LAQFKNZISRFKKK-LBPRGKRZSA-N 0 3 271.763 3.238 20 30 CGEDHN N#Cc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000058473906 369570382 /nfs/dbraw/zinc/57/03/82/369570382.db2.gz GQEDVTULGQGKOI-UHFFFAOYSA-N 0 3 261.328 3.329 20 30 CGEDHN C=CCC[C@@H](NCC(C)(C)C(=O)NCC)c1ccco1 ZINC000276441225 193331536 /nfs/dbraw/zinc/33/15/36/193331536.db2.gz KJNWEVVBAYKPLY-CYBMUJFWSA-N 0 3 278.396 3.039 20 30 CGEDHN C[C@@H](C#N)CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000106367198 370351519 /nfs/dbraw/zinc/35/15/19/370351519.db2.gz ZNLDWOYAJXCLHT-IINYFYTJSA-N 0 3 293.208 3.056 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000130389869 371029613 /nfs/dbraw/zinc/02/96/13/371029613.db2.gz MYIJYMYUAAMKAI-STQMWFEESA-N 0 3 258.365 3.045 20 30 CGEDHN CCCN(Cc1cc(C#N)ccc1OC)CC1CC1 ZINC000130424295 371033530 /nfs/dbraw/zinc/03/35/30/371033530.db2.gz UXTZIMLJZCKQRL-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN C#CCCN[C@@H](C)c1ccc(Br)cc1F ZINC000131915722 371138777 /nfs/dbraw/zinc/13/87/77/371138777.db2.gz WBSJHPALYZUFJV-VIFPVBQESA-N 0 3 270.145 3.262 20 30 CGEDHN CN(C)CCN(Cc1cccs1)Cc1ccc(C#N)cc1 ZINC000289684207 371792714 /nfs/dbraw/zinc/79/27/14/371792714.db2.gz FDXUQBBBAKYFQP-UHFFFAOYSA-N 0 3 299.443 3.184 20 30 CGEDHN CCN(Cc1cc(C#N)ccc1F)[C@H]1CCOC(C)(C)C1 ZINC000289813739 371830101 /nfs/dbraw/zinc/83/01/01/371830101.db2.gz NQIZDWYRKFNEDV-HNNXBMFYSA-N 0 3 290.382 3.477 20 30 CGEDHN C=CCN(C)Cc1ccc(OCCCC)c(OC)c1 ZINC000154794821 371878364 /nfs/dbraw/zinc/87/83/64/371878364.db2.gz PHXXVGPFYATBFM-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C3CC3)C2)cc1F ZINC000344114137 217057233 /nfs/dbraw/zinc/05/72/33/217057233.db2.gz SHDHAXNBJQGHSE-OAHLLOKOSA-N 0 3 258.340 3.319 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C)cc2)n1 ZINC000155403424 371927006 /nfs/dbraw/zinc/92/70/06/371927006.db2.gz CYWWRSHALUZQMQ-LBPRGKRZSA-N 0 3 271.345 3.006 20 30 CGEDHN CCN(Cc1[nH]ncc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000290449692 371992095 /nfs/dbraw/zinc/99/20/95/371992095.db2.gz OLVKDSFRYWLVOC-ZDUSSCGKSA-N 0 3 268.364 3.173 20 30 CGEDHN C=CCOc1ccc(CN(CCO)Cc2ccccc2)cc1 ZINC000158288959 372062990 /nfs/dbraw/zinc/06/29/90/372062990.db2.gz AGLGAVWRBGSLIU-UHFFFAOYSA-N 0 3 297.398 3.246 20 30 CGEDHN C=CCc1cc(CN2CCC(C)CC2)cc(OC)c1O ZINC000158852751 372086741 /nfs/dbraw/zinc/08/67/41/372086741.db2.gz RQXSZJPVQWVJMH-UHFFFAOYSA-N 0 3 275.392 3.361 20 30 CGEDHN COCCN(Cc1scnc1C)CC(C)(C)CCC#N ZINC000426569711 372165099 /nfs/dbraw/zinc/16/50/99/372165099.db2.gz CYXCZKJWMWQPRH-UHFFFAOYSA-N 0 3 295.452 3.230 20 30 CGEDHN C=CCN1CCC(Nc2cnc(-c3ccccc3)cn2)CC1 ZINC000291847991 372176093 /nfs/dbraw/zinc/17/60/93/372176093.db2.gz HEFHALFDRMDMNC-UHFFFAOYSA-N 0 3 294.402 3.206 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccccc2C)n1 ZINC000160088790 372210679 /nfs/dbraw/zinc/21/06/79/372210679.db2.gz UCXDVRRYULCSEO-NSHDSACASA-N 0 3 271.345 3.006 20 30 CGEDHN CC(C)[C@@]1(CO)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000292928980 372252771 /nfs/dbraw/zinc/25/27/71/372252771.db2.gz CIMQZIHGEURBPF-QAPCUYQASA-N 0 3 286.419 3.350 20 30 CGEDHN C=CCCCN(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292981513 372267447 /nfs/dbraw/zinc/26/74/47/372267447.db2.gz FJFULAPAHHLACP-CQSZACIVSA-N 0 3 259.349 3.364 20 30 CGEDHN C=C(CC)CN[C@@H](C)[C@H]1OCCc2sccc21 ZINC000429141542 372318704 /nfs/dbraw/zinc/31/87/04/372318704.db2.gz KLPZWVFPRALAJG-SMDDNHRTSA-N 0 3 251.395 3.306 20 30 CGEDHN C=CCOCCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000293404128 372376767 /nfs/dbraw/zinc/37/67/67/372376767.db2.gz HSRXCOISPJGDRW-CQSZACIVSA-N 0 3 258.365 3.144 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(F)c(F)c1 ZINC000429786240 372377227 /nfs/dbraw/zinc/37/72/27/372377227.db2.gz UAKHICIZPIXRBC-JTQLQIEISA-N 0 3 250.292 3.309 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1cccc(F)c1 ZINC000429726244 372377297 /nfs/dbraw/zinc/37/72/97/372377297.db2.gz UPSIWCMSZBYNJH-CQSZACIVSA-N 0 3 264.388 3.326 20 30 CGEDHN N#CCC1(CNCc2ccc(F)c3cccnc23)CC1 ZINC000430022274 372381215 /nfs/dbraw/zinc/38/12/15/372381215.db2.gz VAWMFIBZXVKUQM-UHFFFAOYSA-N 0 3 269.323 3.157 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)c1cccc(OC)c1 ZINC000430766683 372396606 /nfs/dbraw/zinc/39/66/06/372396606.db2.gz XXTFEYLQTBXPAG-OAHLLOKOSA-N 0 3 258.365 3.430 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(F)c(Cl)c1 ZINC000433270417 372585311 /nfs/dbraw/zinc/58/53/11/372585311.db2.gz QRWNOVQDPFMDTP-LBPRGKRZSA-N 0 3 271.763 3.238 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000433367735 372598495 /nfs/dbraw/zinc/59/84/95/372598495.db2.gz RMVXGZXDXZEMLK-ZACQAIPSSA-N 0 3 282.387 3.017 20 30 CGEDHN CC1(C)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433375628 372599494 /nfs/dbraw/zinc/59/94/94/372599494.db2.gz HRKDPAUXXDDWBX-HNNXBMFYSA-N 0 3 270.376 3.160 20 30 CGEDHN COc1cc(CNC[C@@H]2CCCCC2(F)F)ccc1C#N ZINC000295206112 372702050 /nfs/dbraw/zinc/70/20/50/372702050.db2.gz ZKWVZKPKRLPJQJ-AWEZNQCLSA-N 0 3 294.345 3.482 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(C#N)cc1 ZINC000171125890 372717218 /nfs/dbraw/zinc/71/72/18/372717218.db2.gz JUEVNOJRVWZHKD-CQSZACIVSA-N 0 3 293.370 3.238 20 30 CGEDHN CO[C@H](C)CN(CC#Cc1cccc(Cl)c1)C(C)C ZINC000438068323 372867458 /nfs/dbraw/zinc/86/74/58/372867458.db2.gz RKONGYZRPXMZRT-CQSZACIVSA-N 0 3 279.811 3.437 20 30 CGEDHN Fc1ccc(C#CCN2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000438569398 372968682 /nfs/dbraw/zinc/96/86/82/372968682.db2.gz FEXSUDNKIXYPLD-HOTGVXAUSA-N 0 3 257.352 3.299 20 30 CGEDHN C=CCOc1ccc(CNCCC(C)(F)F)cc1OC ZINC000295975646 372981854 /nfs/dbraw/zinc/98/18/54/372981854.db2.gz IZQMCMSPJYTKSJ-UHFFFAOYSA-N 0 3 285.334 3.395 20 30 CGEDHN CCCC(=O)Nc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442704126 373068202 /nfs/dbraw/zinc/06/82/02/373068202.db2.gz BYAGINGBWMQCPR-HOCLYGCPSA-N 0 3 285.391 3.207 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OC2CCC2)C1 ZINC000442875384 373114938 /nfs/dbraw/zinc/11/49/38/373114938.db2.gz TUYTWEYTFCFRNW-UKRRQHHQSA-N 0 3 270.376 3.400 20 30 CGEDHN CC(=O)Nc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443975035 373164604 /nfs/dbraw/zinc/16/46/04/373164604.db2.gz XWCPUYTXCWUHQK-UHFFFAOYSA-N 0 3 293.370 3.115 20 30 CGEDHN CCc1ccc(CNCc2ccc(OC)c(C#N)c2)s1 ZINC000174270859 373279925 /nfs/dbraw/zinc/27/99/25/373279925.db2.gz HFLWBRFTNKXGPN-UHFFFAOYSA-N 0 3 286.400 3.481 20 30 CGEDHN CC(C)(C#N)CCCCN[C@H](CO)c1ccsc1 ZINC000444671840 373230662 /nfs/dbraw/zinc/23/06/62/373230662.db2.gz KACGQIUQRIMWOZ-CYBMUJFWSA-N 0 3 266.410 3.091 20 30 CGEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000444676929 373232952 /nfs/dbraw/zinc/23/29/52/373232952.db2.gz OTSJVLSYWZJDRH-NVXWUHKLSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C)[C@@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000444682018 373234480 /nfs/dbraw/zinc/23/44/80/373234480.db2.gz YETQPZUMHPOHKN-AWEZNQCLSA-N 0 3 252.402 3.063 20 30 CGEDHN N#Cc1ccc(CNCCCCOCc2ccccc2)o1 ZINC000174325507 373292491 /nfs/dbraw/zinc/29/24/91/373292491.db2.gz RTWQVFLESNUPRZ-UHFFFAOYSA-N 0 3 284.359 3.238 20 30 CGEDHN C[C@@H](CO)N(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000298505088 373342552 /nfs/dbraw/zinc/34/25/52/373342552.db2.gz KJKXTCUFCALXPK-AWEZNQCLSA-N 0 3 280.371 3.038 20 30 CGEDHN COc1ccccc1O[C@@H](C)CNCc1cccc(C#N)c1 ZINC000174607766 373344088 /nfs/dbraw/zinc/34/40/88/373344088.db2.gz PLGZUMQWKVXTEX-AWEZNQCLSA-N 0 3 296.370 3.124 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CC)(CC)C1 ZINC000446738650 373355014 /nfs/dbraw/zinc/35/50/14/373355014.db2.gz KPEXRJVPIIMTEH-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN CC(C)(C)Oc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)n1 ZINC000447586457 373456112 /nfs/dbraw/zinc/45/61/12/373456112.db2.gz MMDKCPARWGMPNS-KGLIPLIRSA-N 0 3 287.407 3.431 20 30 CGEDHN C[C@H](CN1CCCCC1)Nc1c(C#N)cnc2ccccc21 ZINC000301065947 373646504 /nfs/dbraw/zinc/64/65/04/373646504.db2.gz DHXRAZILGCLVTI-CQSZACIVSA-N 0 3 294.402 3.393 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3c(F)cccc32)C1 ZINC000449353198 373683459 /nfs/dbraw/zinc/68/34/59/373683459.db2.gz YWYOEEKPQFERCB-BFQNTYOBSA-N 0 3 258.340 3.485 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177569434 373693592 /nfs/dbraw/zinc/69/35/92/373693592.db2.gz RPIUBRGOYYBUSF-BMFZPTHFSA-N 0 3 297.402 3.007 20 30 CGEDHN CC(C)[C@@H](CO)[C@@H](NCc1ccc(C#N)cc1F)C(C)C ZINC000449511852 373812378 /nfs/dbraw/zinc/81/23/78/373812378.db2.gz OEHYZFXKJAPMCL-WBVHZDCISA-N 0 3 292.398 3.076 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1c(Cl)ccc2cccnc21 ZINC000449520761 373819991 /nfs/dbraw/zinc/81/99/91/373819991.db2.gz QAGQFGCNKUMBQW-CABCVRRESA-N 0 3 288.778 3.321 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@@H]1CCC[C@@H](C)C1 ZINC000449770231 373898948 /nfs/dbraw/zinc/89/89/48/373898948.db2.gz WGFQIMSNUNLTRQ-GRYCIOLGSA-N 0 3 263.410 3.319 20 30 CGEDHN C=C(CC)CNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000449733889 373860637 /nfs/dbraw/zinc/86/06/37/373860637.db2.gz QDJXLTGNCBQLTO-UHFFFAOYSA-N 0 3 255.365 3.441 20 30 CGEDHN C=CCN(CC(=O)N1CCC[C@H](C)C1)CC1CCCCC1 ZINC000303426326 374016125 /nfs/dbraw/zinc/01/61/25/374016125.db2.gz BZQFNQKBEGKWSF-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN C#CCCCCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000180330948 373991410 /nfs/dbraw/zinc/99/14/10/373991410.db2.gz XYXOSWFUVXBSFJ-UHFFFAOYSA-N 0 3 272.392 3.189 20 30 CGEDHN N#Cc1cccc(CN(CCO)[C@@H]2CCc3ccccc32)c1 ZINC000304119383 374040047 /nfs/dbraw/zinc/04/00/47/374040047.db2.gz PWOVIIQZMCLCCV-LJQANCHMSA-N 0 3 292.382 3.040 20 30 CGEDHN C=CCNC(=O)CNC1(c2cccc(Cl)c2)CCCC1 ZINC000181459822 374126721 /nfs/dbraw/zinc/12/67/21/374126721.db2.gz RDTVTFLAFOPHMH-UHFFFAOYSA-N 0 3 292.810 3.001 20 30 CGEDHN C=CCCN[C@@H](CCO)c1ccccc1Br ZINC000309572115 374188197 /nfs/dbraw/zinc/18/81/97/374188197.db2.gz NIYJEHZEPNDCSV-ZDUSSCGKSA-N 0 3 284.197 3.038 20 30 CGEDHN COC[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000452106943 374237478 /nfs/dbraw/zinc/23/74/78/374237478.db2.gz RPJPEXZTKPDSBY-ZDUSSCGKSA-N 0 3 292.810 3.460 20 30 CGEDHN Cc1ncccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000311392775 374239552 /nfs/dbraw/zinc/23/95/52/374239552.db2.gz CYELGFIFOBETDL-GFCCVEGCSA-N 0 3 251.333 3.113 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(OC)c(OC)cc1OC ZINC000314419845 374317329 /nfs/dbraw/zinc/31/73/29/374317329.db2.gz AHZAWMCETZZFRQ-UHFFFAOYSA-N 0 3 293.407 3.404 20 30 CGEDHN COC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000315588182 374331048 /nfs/dbraw/zinc/33/10/48/374331048.db2.gz ROQMMJAWFBCTSL-CYBMUJFWSA-N 0 3 294.354 3.196 20 30 CGEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000182939512 374347879 /nfs/dbraw/zinc/34/78/79/374347879.db2.gz KIESYFBDIUXLTD-CYBMUJFWSA-N 0 3 285.391 3.055 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000453342592 374433437 /nfs/dbraw/zinc/43/34/37/374433437.db2.gz INKIMKJVADHRTO-XZJROXQQSA-N 0 3 274.339 3.082 20 30 CGEDHN CO[C@@H]([C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000453348335 374438709 /nfs/dbraw/zinc/43/87/09/374438709.db2.gz GCFKBATXAFXYMK-MMPTUQATSA-N 0 3 276.355 3.161 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccccc1C#N ZINC000185196605 374609042 /nfs/dbraw/zinc/60/90/42/374609042.db2.gz SVRWVCNJTVSPLJ-DLBZAZTESA-N 0 3 272.392 3.242 20 30 CGEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)s1)C(C)C ZINC000185234314 374617068 /nfs/dbraw/zinc/61/70/68/374617068.db2.gz GUDYMTGJOFIJOT-OAHLLOKOSA-N 0 3 294.420 3.077 20 30 CGEDHN Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(C)C#N)CC1 ZINC000334434400 374749516 /nfs/dbraw/zinc/74/95/16/374749516.db2.gz YHZWGSWXDMMTOT-GFCCVEGCSA-N 0 3 295.386 3.342 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000185875968 374758221 /nfs/dbraw/zinc/75/82/21/374758221.db2.gz HSQZEKWROHOTHT-ITDIGPHOSA-N 0 3 296.773 3.184 20 30 CGEDHN Cc1cc2cc(CN[C@@H]3CC[C@@H](C#N)C3)ccc2[nH]1 ZINC000334420913 374736120 /nfs/dbraw/zinc/73/61/20/374736120.db2.gz QOWAMLZINRJWKH-IUODEOHRSA-N 0 3 253.349 3.258 20 30 CGEDHN C=C(C)[C@@H](N[C@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000186450776 374854056 /nfs/dbraw/zinc/85/40/56/374854056.db2.gz AWAINWCZLPRYSL-SWLSCSKDSA-N 0 3 267.319 3.351 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](CC)c1ccc(Cl)s1 ZINC000186709465 374903618 /nfs/dbraw/zinc/90/36/18/374903618.db2.gz JTGJFMORNSBNBK-UWVGGRQHSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CCN(CCC(C)(C)OC)Cc1ccc(OC)cc1 ZINC000469063961 374986502 /nfs/dbraw/zinc/98/65/02/374986502.db2.gz VGTJURJHUBGGLV-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(C)C#N)cc1 ZINC000469579718 374990096 /nfs/dbraw/zinc/99/00/96/374990096.db2.gz AGLCCOZXFAZCAB-KBMXLJTQSA-N 0 3 270.376 3.249 20 30 CGEDHN C=CCN(C[C@@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000470777494 374999072 /nfs/dbraw/zinc/99/90/72/374999072.db2.gz WVHKGINXADJHCY-IBGZPJMESA-N 0 3 281.399 3.394 20 30 CGEDHN C=CCOCCCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000470867719 375000682 /nfs/dbraw/zinc/00/06/82/375000682.db2.gz YICSRJPZHFWSQZ-LBPRGKRZSA-N 0 3 279.346 3.490 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCc1ccccn1 ZINC000187721795 375081524 /nfs/dbraw/zinc/08/15/24/375081524.db2.gz BILABDVZRSCGFV-CQSZACIVSA-N 0 3 265.360 3.189 20 30 CGEDHN C=C(CC)CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481705286 375165668 /nfs/dbraw/zinc/16/56/68/375165668.db2.gz YUPPGPOELFWKSM-KRWDZBQOSA-N 0 3 257.377 3.474 20 30 CGEDHN C=CCN(CCc1ccco1)CC1(OC)CCCC1 ZINC000483328336 375178259 /nfs/dbraw/zinc/17/82/59/375178259.db2.gz ZDCNJZKKXXWGJK-UHFFFAOYSA-N 0 3 263.381 3.269 20 30 CGEDHN C=CCN(CC(=O)N(CC=C)CC=C)CC1CCCCC1 ZINC000484571115 375188980 /nfs/dbraw/zinc/18/89/80/375188980.db2.gz NAQJFTPORUYMHV-UHFFFAOYSA-N 0 3 290.451 3.255 20 30 CGEDHN CC(C)[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000487958470 375288275 /nfs/dbraw/zinc/28/82/75/375288275.db2.gz ZFYCVHTZDWNDBH-GOSISDBHSA-N 0 3 299.462 3.260 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(Br)cc2)C1 ZINC000335630303 375335767 /nfs/dbraw/zinc/33/57/67/375335767.db2.gz FVCXOZZFCRKRCF-AAEUAGOBSA-N 0 3 279.181 3.231 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000493409107 375470276 /nfs/dbraw/zinc/47/02/76/375470276.db2.gz GBKWYIYKYDWJDF-HZPDHXFCSA-N 0 3 254.377 3.291 20 30 CGEDHN Cc1cc(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)n[nH]1 ZINC000335908178 375532389 /nfs/dbraw/zinc/53/23/89/375532389.db2.gz MSANRWJVYTZXIE-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN Cc1cc(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)[nH]n1 ZINC000335908178 375532394 /nfs/dbraw/zinc/53/23/94/375532394.db2.gz MSANRWJVYTZXIE-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1CCCC#N ZINC000496530921 375540932 /nfs/dbraw/zinc/54/09/32/375540932.db2.gz DYUYTDDFPJABMN-AWEZNQCLSA-N 0 3 295.427 3.059 20 30 CGEDHN C=CCC[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000495124613 375497559 /nfs/dbraw/zinc/49/75/59/375497559.db2.gz WVVUWYTWQOMLNA-SJLPKXTDSA-N 0 3 298.430 3.089 20 30 CGEDHN Cc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1C#N ZINC000335875789 375504962 /nfs/dbraw/zinc/50/49/62/375504962.db2.gz ARUPRJCZNFBYBO-CABCVRRESA-N 0 3 276.330 3.344 20 30 CGEDHN Cc1cccc(C[C@H](CO)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000191611713 375644440 /nfs/dbraw/zinc/64/44/40/375644440.db2.gz MCCLLCBNUQLJFJ-DNVCBOLYSA-N 0 3 294.398 3.121 20 30 CGEDHN C=CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192069881 375695826 /nfs/dbraw/zinc/69/58/26/375695826.db2.gz HTFYRRLQOCEEGB-CHWSQXEVSA-N 0 3 255.720 3.085 20 30 CGEDHN C=CCN1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192341379 375734493 /nfs/dbraw/zinc/73/44/93/375734493.db2.gz RHNWIMCSEJIGFI-UHFFFAOYSA-N 0 3 299.374 3.111 20 30 CGEDHN Cc1ccc([C@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000510383043 375785587 /nfs/dbraw/zinc/78/55/87/375785587.db2.gz SNVFRBQKFLJGOF-WMLDXEAASA-N 0 3 278.355 3.360 20 30 CGEDHN C=C(C)CCN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000508991504 375766578 /nfs/dbraw/zinc/76/65/78/375766578.db2.gz RABLOBFWVQNEEH-AWEZNQCLSA-N 0 3 298.224 3.381 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000336465188 375797618 /nfs/dbraw/zinc/79/76/18/375797618.db2.gz WWLVXGJYSHFSEU-NXEZZACHSA-N 0 3 258.346 3.238 20 30 CGEDHN C=CCCCC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000193426963 375875602 /nfs/dbraw/zinc/87/56/02/375875602.db2.gz GTPPJJWSLDTOEN-QGZVFWFLSA-N 0 3 282.387 3.312 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](CC)c2cc(C)ccc2C)C1=O ZINC000528797637 375909607 /nfs/dbraw/zinc/90/96/07/375909607.db2.gz JDCASAARVOYXEV-DLBZAZTESA-N 0 3 286.419 3.131 20 30 CGEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)[C@H](C)CC)C1=O ZINC000337135428 376092526 /nfs/dbraw/zinc/09/25/26/376092526.db2.gz NSDNMNAJXVVIHT-NVXWUHKLSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](CC2CCC2)c2ccccc2)C1=O ZINC000337189782 376126004 /nfs/dbraw/zinc/12/60/04/376126004.db2.gz RZDVLOLCJJYISA-QZTJIDSGSA-N 0 3 298.430 3.294 20 30 CGEDHN C[C@H](NC[C@H](O)c1ccsc1)c1cccc(C#N)c1 ZINC000224672395 376286511 /nfs/dbraw/zinc/28/65/11/376286511.db2.gz WQEXFKIBZIBWJW-NHYWBVRUSA-N 0 3 272.373 3.004 20 30 CGEDHN CSc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000232314323 376579443 /nfs/dbraw/zinc/57/94/43/376579443.db2.gz MCWYKQPJNDWYIR-LBPRGKRZSA-N 0 3 285.416 3.469 20 30 CGEDHN COC1(CCN[C@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000339083684 376670266 /nfs/dbraw/zinc/67/02/66/376670266.db2.gz SKMFQOXDTZEFSM-GFCCVEGCSA-N 0 3 276.355 3.307 20 30 CGEDHN COc1ccc(Br)cc1CNCCCCC#N ZINC000237130211 376733021 /nfs/dbraw/zinc/73/30/21/376733021.db2.gz XDNOJCAHEYAMRB-UHFFFAOYSA-N 0 3 297.196 3.241 20 30 CGEDHN CCCOc1ccc(C(C)(C)NCCOCCC#N)cc1 ZINC000339143403 376706860 /nfs/dbraw/zinc/70/68/60/376706860.db2.gz CYQGSYBUBGLDKH-UHFFFAOYSA-N 0 3 290.407 3.230 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000544143792 376709566 /nfs/dbraw/zinc/70/95/66/376709566.db2.gz MWYVUYBIKPCEHN-SFHVURJKSA-N 0 3 277.371 3.485 20 30 CGEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(C)C#N ZINC000339568893 376762545 /nfs/dbraw/zinc/76/25/45/376762545.db2.gz MWWSDKMUSDVQPX-GXSJLCMTSA-N 0 3 279.409 3.254 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](CC2CC2)C1 ZINC000339674451 376802062 /nfs/dbraw/zinc/80/20/62/376802062.db2.gz PKDNBLZCARMDKC-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000245956993 376942657 /nfs/dbraw/zinc/94/26/57/376942657.db2.gz UFBFWZSJPFQMLW-GOEBONIOSA-N 0 3 270.376 3.331 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246418869 377026074 /nfs/dbraw/zinc/02/60/74/377026074.db2.gz AKSZQEIVFKTHIK-RDJZCZTQSA-N 0 3 289.806 3.192 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C)[C@@H]1C ZINC000246510853 377043745 /nfs/dbraw/zinc/04/37/45/377043745.db2.gz BHYRUMKEZZNFPY-KBPBESRZSA-N 0 3 288.391 3.066 20 30 CGEDHN CN(CCSCc1ccc(C#N)cn1)Cc1ccccc1 ZINC000559629174 377094527 /nfs/dbraw/zinc/09/45/27/377094527.db2.gz MRLVEOFNTFFTQN-UHFFFAOYSA-N 0 3 297.427 3.318 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000246841381 377103086 /nfs/dbraw/zinc/10/30/86/377103086.db2.gz VEKDRDMDUCWTGH-RBSFLKMASA-N 0 3 299.418 3.253 20 30 CGEDHN CC[C@@H](C)[C@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000563354934 377445664 /nfs/dbraw/zinc/44/56/64/377445664.db2.gz RQLBWZBZIVQVDU-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN CC[C@H](C)[C@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000563354936 377449261 /nfs/dbraw/zinc/44/92/61/377449261.db2.gz RQLBWZBZIVQVDU-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CCN(CCCOc1ccc(Cl)cc1)CCOC ZINC000565927266 377490826 /nfs/dbraw/zinc/49/08/26/377490826.db2.gz VHFRVIHFZATWMI-UHFFFAOYSA-N 0 3 283.799 3.243 20 30 CGEDHN Cc1cc(NC[C@H](c2cccs2)N(C)C)cc(C#N)n1 ZINC000341348278 377522016 /nfs/dbraw/zinc/52/20/16/377522016.db2.gz RUHSFWQMGDFCQD-CQSZACIVSA-N 0 3 286.404 3.038 20 30 CGEDHN N#Cc1ccc(CNCCC2(F)CCC2)cc1F ZINC000421358209 249126101 /nfs/dbraw/zinc/12/61/01/249126101.db2.gz SKLRNQIIMCNFAE-UHFFFAOYSA-N 0 3 250.292 3.069 20 30 CGEDHN COCCN(Cc1ccccc1C#N)[C@@H]1CCC[C@H]1C ZINC000487967503 249171833 /nfs/dbraw/zinc/17/18/33/249171833.db2.gz ZEEMNMUQILUWAL-RHSMWYFYSA-N 0 3 272.392 3.195 20 30 CGEDHN CC1(C)CC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000514611856 249183098 /nfs/dbraw/zinc/18/30/98/249183098.db2.gz MHQHZXRVAUXBEB-ZDUSSCGKSA-N 0 3 280.318 3.438 20 30 CGEDHN C[C@@H]1CCCN(CCOc2ccccc2C#N)[C@H]1C ZINC000251606314 377590998 /nfs/dbraw/zinc/59/09/98/377590998.db2.gz BXHCIWOZUYOSGC-KGLIPLIRSA-N 0 3 258.365 3.057 20 30 CGEDHN N#Cc1cccc(CCNCc2cc(F)c(F)c(F)c2)c1 ZINC000341492561 377591828 /nfs/dbraw/zinc/59/18/28/377591828.db2.gz WBATZXNTYXZWNO-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN CCCCN(C(=O)C(C)C#N)[C@H]1CCC[C@H](C)C1 ZINC000573993944 377604879 /nfs/dbraw/zinc/60/48/79/377604879.db2.gz SCBBGVTURDTXFG-MJBXVCDLSA-N 0 3 250.386 3.353 20 30 CGEDHN COCCSc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000341751904 377615554 /nfs/dbraw/zinc/61/55/54/377615554.db2.gz QZPDXSLOTRVUFB-CYBMUJFWSA-N 0 3 278.421 3.379 20 30 CGEDHN N#CCCCOc1cccc(CN[C@H]2C[C@H]2C(F)F)c1 ZINC000342214984 377634010 /nfs/dbraw/zinc/63/40/10/377634010.db2.gz OWLXCAIINQGUIR-KGLIPLIRSA-N 0 3 280.318 3.112 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000342467502 377648353 /nfs/dbraw/zinc/64/83/53/377648353.db2.gz BHZIYNXUGLZGED-UHFFFAOYSA-N 0 3 296.414 3.026 20 30 CGEDHN CCCCCCCN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000252801731 377665200 /nfs/dbraw/zinc/66/52/00/377665200.db2.gz HBOSSAFWGWMGNB-ARFHVFGLSA-N 0 3 269.429 3.225 20 30 CGEDHN N#CCSCCCNC1(c2ccc(F)cc2)CC1 ZINC000342604646 377687077 /nfs/dbraw/zinc/68/70/77/377687077.db2.gz NKVJJYJWBQMXTR-UHFFFAOYSA-N 0 3 264.369 3.051 20 30 CGEDHN CC(C)C[C@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000575079493 377747348 /nfs/dbraw/zinc/74/73/48/377747348.db2.gz AEFSJKQXIJJPEI-HNNXBMFYSA-N 0 3 271.408 3.115 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000342714741 377751349 /nfs/dbraw/zinc/75/13/49/377751349.db2.gz AFXWUZXLSKOYAU-QGZVFWFLSA-N 0 3 265.360 3.418 20 30 CGEDHN C[C@H](CC#N)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264106680 377956146 /nfs/dbraw/zinc/95/61/46/377956146.db2.gz UWVKLGVCPHHVGE-OAHLLOKOSA-N 0 3 299.418 3.047 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCSC2)c([O-])c1 ZINC000266328499 378018871 /nfs/dbraw/zinc/01/88/71/378018871.db2.gz JRFHSJOAWSHBCO-BVTUPMQUSA-N 0 3 278.421 3.163 20 30 CGEDHN C=CCCN(C)Cc1cnc(-c2ccccn2)s1 ZINC000343497630 377996647 /nfs/dbraw/zinc/99/66/47/377996647.db2.gz QSZSZPBWMRKLFJ-UHFFFAOYSA-N 0 3 259.378 3.213 20 30 CGEDHN C=CCCCCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000578080978 378036763 /nfs/dbraw/zinc/03/67/63/378036763.db2.gz IFSBFZGBHWJGPO-UHFFFAOYSA-N 0 3 295.471 3.249 20 30 CGEDHN C[C@@H](c1ccc(F)cc1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268619314 378081880 /nfs/dbraw/zinc/08/18/80/378081880.db2.gz NGULIHPIWNGFLA-UGSOOPFHSA-N 0 3 298.361 3.424 20 30 CGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000266521382 378023590 /nfs/dbraw/zinc/02/35/90/378023590.db2.gz ZMVKUGYIYXBWLM-OLZOCXBDSA-N 0 3 288.391 3.329 20 30 CGEDHN C#CCCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000268726585 378097284 /nfs/dbraw/zinc/09/72/84/378097284.db2.gz PNVBRUAVMBMSHY-UHFFFAOYSA-N 0 3 282.362 3.289 20 30 CGEDHN C=C(CNCc1ccccc1NC(C)=O)c1ccccc1 ZINC000343818633 378102655 /nfs/dbraw/zinc/10/26/55/378102655.db2.gz WLDZCLJHSAMURK-UHFFFAOYSA-N 0 3 280.371 3.448 20 30 CGEDHN C=C(C)CN1CCN(CC(=C)C)[C@H]([C@H](C)CC)C1 ZINC000270010171 378293590 /nfs/dbraw/zinc/29/35/90/378293590.db2.gz LPPCSQRYHWALML-CVEARBPZSA-N 0 3 250.430 3.171 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc(C#N)cs2)c1 ZINC000270349588 378339230 /nfs/dbraw/zinc/33/92/30/378339230.db2.gz BRCVRUDAQLTONP-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN Cc1nn(C)c2sc([C@@H](C)N[C@@H]3CC[C@H](C#N)C3)cc12 ZINC000584107566 378375429 /nfs/dbraw/zinc/37/54/29/378375429.db2.gz UDPHMLNVCHFITE-GRYCIOLGSA-N 0 3 288.420 3.286 20 30 CGEDHN COC[C@H](NCCC(C)(C)C#N)c1ccc(F)cc1 ZINC000345953837 378420164 /nfs/dbraw/zinc/42/01/64/378420164.db2.gz PWVDLVCBOYNVEW-AWEZNQCLSA-N 0 3 264.344 3.043 20 30 CGEDHN C=CCC[C@@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000271690926 378501222 /nfs/dbraw/zinc/50/12/22/378501222.db2.gz FAYVDEZJHBXFDK-QGZVFWFLSA-N 0 3 299.418 3.046 20 30 CGEDHN C[C@@H](NC[C@H]1CCCS1)c1ccc(C#N)c(F)c1 ZINC000346223061 378509951 /nfs/dbraw/zinc/50/99/51/378509951.db2.gz WAVCRZGZNQZYNM-ZWNOBZJWSA-N 0 3 264.369 3.244 20 30 CGEDHN C[C@H](NC[C@@]1(C)CCCC[C@@H]1O)c1ccc(C#N)c(F)c1 ZINC000271927934 378519926 /nfs/dbraw/zinc/51/99/26/378519926.db2.gz HCYCLKAJXVSADS-AFAVFJNCSA-N 0 3 290.382 3.289 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccccc1OC(F)F ZINC000272509733 378653572 /nfs/dbraw/zinc/65/35/72/378653572.db2.gz GAXPHGVVFRDVLK-NSHDSACASA-N 0 3 271.307 3.141 20 30 CGEDHN Cc1ccc(CCN(Cc2ccco2)C(=O)C(C)C#N)cc1 ZINC000346887654 378696782 /nfs/dbraw/zinc/69/67/82/378696782.db2.gz JXKLHKLJRKVRBS-HNNXBMFYSA-N 0 3 296.370 3.319 20 30 CGEDHN C#CCN(CCCC(=O)Nc1c(C)cc(C)cc1C)C1CC1 ZINC000274172423 378787276 /nfs/dbraw/zinc/78/72/76/378787276.db2.gz NUNRPHRAVRUNNB-UHFFFAOYSA-N 0 3 298.430 3.428 20 30 CGEDHN C=C(C)[C@@H](NCCn1ccnc1C)c1ccc(F)c(F)c1 ZINC000274892636 378914926 /nfs/dbraw/zinc/91/49/26/378914926.db2.gz PZIIGSINJXEZCW-MRXNPFEDSA-N 0 3 291.345 3.377 20 30 CGEDHN C=CCCOCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000638811557 378919334 /nfs/dbraw/zinc/91/93/34/378919334.db2.gz DEGAHXHRPDLMJW-UHFFFAOYSA-N 0 3 292.329 3.195 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)C[C@@H](N)c1ccccc1 ZINC000638875198 378944783 /nfs/dbraw/zinc/94/47/83/378944783.db2.gz ONQCFEVFEMDSAK-OAHLLOKOSA-N 0 3 274.408 3.185 20 30 CGEDHN N#Cc1ccc(OCCN2CC[C@H]2c2ccccc2)cc1 ZINC000348527498 378977491 /nfs/dbraw/zinc/97/74/91/378977491.db2.gz SBLKDFZRGDDYIY-SFHVURJKSA-N 0 3 278.355 3.384 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000348480633 378965545 /nfs/dbraw/zinc/96/55/45/378965545.db2.gz RVACMVUVGUQHEC-HUUCEWRRSA-N 0 3 278.396 3.461 20 30 CGEDHN N#Cc1cccc(OCCN2CC[C@H]2c2ccccc2)c1 ZINC000348539402 378981283 /nfs/dbraw/zinc/98/12/83/378981283.db2.gz NDPYYVCTWWKOOT-SFHVURJKSA-N 0 3 278.355 3.384 20 30 CGEDHN C=CCN(C1CC1)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000639057174 378989570 /nfs/dbraw/zinc/98/95/70/378989570.db2.gz DXPODNQIIAXOGK-OAHLLOKOSA-N 0 3 273.376 3.342 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NCc2cccc(C#N)c2)CS1 ZINC000276847799 379006835 /nfs/dbraw/zinc/00/68/35/379006835.db2.gz CRLNKCSETKNWMH-GJZGRUSLSA-N 0 3 260.406 3.178 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1F)[C@@H]1COc2ccccc21 ZINC000348759519 379042820 /nfs/dbraw/zinc/04/28/20/379042820.db2.gz BGQZKXFZJJMCJE-WBMJQRKESA-N 0 3 296.345 3.352 20 30 CGEDHN C=CC[C@@H](CC)NCc1nc2ccccc2nc1C ZINC000639131892 379056121 /nfs/dbraw/zinc/05/61/21/379056121.db2.gz AYIRQKVXOOLZIK-CYBMUJFWSA-N 0 3 255.365 3.383 20 30 CGEDHN CC[C@@H](NCc1c(C)nn(C)c1C)c1ccc(C#N)cc1 ZINC000278673204 194095752 /nfs/dbraw/zinc/09/57/52/194095752.db2.gz JJAWYAWZBBOIMH-QGZVFWFLSA-N 0 3 282.391 3.150 20 30 CGEDHN Cc1ccc([C@H](NCc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000277126087 379075994 /nfs/dbraw/zinc/07/59/94/379075994.db2.gz WAYJOKDXRFOPQD-SFHVURJKSA-N 0 3 279.387 3.446 20 30 CGEDHN N#Cc1ccc(CN2CCC(c3ccccn3)CC2)cc1 ZINC000371322747 379139544 /nfs/dbraw/zinc/13/95/44/379139544.db2.gz ICNLUDXJAGBNQO-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN Cc1ccccc1[C@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000266408340 190255822 /nfs/dbraw/zinc/25/58/22/190255822.db2.gz FZPGRUZQIXCTPB-RDTXWAMCSA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@@H](CCC#N)CN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000639264745 379209472 /nfs/dbraw/zinc/20/94/72/379209472.db2.gz FUQNIOYDJMEDDW-KBXCAEBGSA-N 0 3 298.386 3.036 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000349758152 379371168 /nfs/dbraw/zinc/37/11/68/379371168.db2.gz MERAYVINKPEHRU-OLZOCXBDSA-N 0 3 289.375 3.337 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCSC1 ZINC000278406859 379378493 /nfs/dbraw/zinc/37/84/93/379378493.db2.gz GQADWXJEAHFJNI-CQSZACIVSA-N 0 3 263.381 3.014 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1cnn(C)c1C)c1ccc(C#N)cc1 ZINC000278351251 379357823 /nfs/dbraw/zinc/35/78/23/379357823.db2.gz ZGRPCEWWDGELMI-YVEFUNNKSA-N 0 3 282.391 3.402 20 30 CGEDHN C[C@@H](C#N)CN(C[C@H](C)CC1CCOCC1)C1CC1 ZINC000349961050 379458213 /nfs/dbraw/zinc/45/82/13/379458213.db2.gz BAZQPPDUZRRWKS-KGLIPLIRSA-N 0 3 264.413 3.063 20 30 CGEDHN Cn1cc([C@H](NCCCC(C)(C)C#N)c2ccccc2)cn1 ZINC000374625973 379471248 /nfs/dbraw/zinc/47/12/48/379471248.db2.gz DGDQLWBLKOYTAQ-QGZVFWFLSA-N 0 3 296.418 3.429 20 30 CGEDHN C=CCC[C@H](N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccco1 ZINC000375898129 379517539 /nfs/dbraw/zinc/51/75/39/379517539.db2.gz PCHZQESRFOZSKF-AYDFFVQHSA-N 0 3 261.365 3.444 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000280366714 379689931 /nfs/dbraw/zinc/68/99/31/379689931.db2.gz UVXJDWTYPNPBDU-INIZCTEOSA-N 0 3 276.355 3.088 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000280910371 379809687 /nfs/dbraw/zinc/80/96/87/379809687.db2.gz RZURABQQGAEXCJ-IGCXYCKISA-N 0 3 291.391 3.033 20 30 CGEDHN CN1Cc2ccccc2[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000378267927 379797432 /nfs/dbraw/zinc/79/74/32/379797432.db2.gz DJMCHXANEZAEPP-KRWDZBQOSA-N 0 3 263.344 3.157 20 30 CGEDHN C=C(CC)CN[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352404864 379800565 /nfs/dbraw/zinc/80/05/65/379800565.db2.gz DYFVEJBAHDYUMG-KRWDZBQOSA-N 0 3 291.391 3.029 20 30 CGEDHN C=C(CC)CN1CCC(Oc2ncccc2C)CC1 ZINC000352342478 379773114 /nfs/dbraw/zinc/77/31/14/379773114.db2.gz SWNWJZBBIVIQDP-UHFFFAOYSA-N 0 3 260.381 3.199 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(CC)o1 ZINC000280731773 379775947 /nfs/dbraw/zinc/77/59/47/379775947.db2.gz GXSRPVZUMWRIKR-ZENOOKHLSA-N 0 3 263.381 3.474 20 30 CGEDHN Cn1cc(CNCc2ccc3sccc3c2)cc1C#N ZINC000352482920 379832713 /nfs/dbraw/zinc/83/27/13/379832713.db2.gz WQAXJTDJVNBYIQ-UHFFFAOYSA-N 0 3 281.384 3.401 20 30 CGEDHN CC[C@@H](CNCc1nc(C#N)cs1)CC(F)(F)F ZINC000402706551 379971916 /nfs/dbraw/zinc/97/19/16/379971916.db2.gz SUQKCYFWZCBOMZ-MRVPVSSYSA-N 0 3 277.315 3.083 20 30 CGEDHN CCS[C@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000352809040 379973965 /nfs/dbraw/zinc/97/39/65/379973965.db2.gz FOEGYOLHNNJYME-JQWIXIFHSA-N 0 3 281.450 3.169 20 30 CGEDHN N#Cc1ccc(CNCCOC2CCCCC2)cc1F ZINC000404159611 379978907 /nfs/dbraw/zinc/97/89/07/379978907.db2.gz YFKXELOAFHQPTQ-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN CC[C@@]1(C)CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000399440306 379941295 /nfs/dbraw/zinc/94/12/95/379941295.db2.gz DUUIEWAGFNWEMY-INIZCTEOSA-N 0 3 258.365 3.189 20 30 CGEDHN Cc1cc(C)cc([C@@H](O)CNCc2ccc(C#N)cc2F)c1 ZINC000282996623 380021971 /nfs/dbraw/zinc/02/19/71/380021971.db2.gz NKOWWIPXTJUCPW-SFHVURJKSA-N 0 3 298.361 3.137 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2cccc(O)c2)CC1 ZINC000411158034 380132155 /nfs/dbraw/zinc/13/21/55/380132155.db2.gz NSNJNDLRKPOISU-HNNXBMFYSA-N 0 3 274.408 3.259 20 30 CGEDHN C=CCN(C[C@H](O)COc1ccccc1SC)C(C)C ZINC000411180042 380134582 /nfs/dbraw/zinc/13/45/82/380134582.db2.gz MTLUHIWQGIEDJA-AWEZNQCLSA-N 0 3 295.448 3.045 20 30 CGEDHN COc1cc2c(cc1OC)[C@H](NCC(C)(C)CC#N)CC2 ZINC000414161308 380194901 /nfs/dbraw/zinc/19/49/01/380194901.db2.gz FERGSFUIZRUEQH-CQSZACIVSA-N 0 3 288.391 3.221 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000414171797 380197498 /nfs/dbraw/zinc/19/74/98/380197498.db2.gz VHBVUMOCVJVTCE-CYBMUJFWSA-N 0 3 289.354 3.129 20 30 CGEDHN Cc1ccc(C2CCN([C@H](C)CCC#N)CC2)cn1 ZINC000411502237 380149982 /nfs/dbraw/zinc/14/99/82/380149982.db2.gz ITJCIMCTXCKCBZ-CQSZACIVSA-N 0 3 257.381 3.262 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cnccn1 ZINC000414295536 380207968 /nfs/dbraw/zinc/20/79/68/380207968.db2.gz FKZZOGZJNLHDHH-HOCLYGCPSA-N 0 3 267.376 3.315 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000414335179 380214691 /nfs/dbraw/zinc/21/46/91/380214691.db2.gz YASXIJHDEATLLM-NXEZZACHSA-N 0 3 251.399 3.106 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000414435241 380234600 /nfs/dbraw/zinc/23/46/00/380234600.db2.gz QTFGJYRRKFKKSV-GFCCVEGCSA-N 0 3 273.298 3.040 20 30 CGEDHN C=CCOCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000644543641 380443884 /nfs/dbraw/zinc/44/38/84/380443884.db2.gz ZHOWBBLTPZJNEY-WMLDXEAASA-N 0 3 293.382 3.086 20 30 CGEDHN CC[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1 ZINC000354675201 380523751 /nfs/dbraw/zinc/52/37/51/380523751.db2.gz MYEWNWSATKRMCV-GFCCVEGCSA-N 0 3 256.271 3.379 20 30 CGEDHN CC[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1 ZINC000354675202 380524123 /nfs/dbraw/zinc/52/41/23/380524123.db2.gz MYEWNWSATKRMCV-LBPRGKRZSA-N 0 3 256.271 3.379 20 30 CGEDHN CCN(CCC1CC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000355064995 380572078 /nfs/dbraw/zinc/57/20/78/380572078.db2.gz RVGNEVRQYUDTJV-ZDUSSCGKSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCOCCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000645074849 380573190 /nfs/dbraw/zinc/57/31/90/380573190.db2.gz ODVOLVPVSBMIOZ-UHFFFAOYSA-N 0 3 273.298 3.340 20 30 CGEDHN C=CC(C)(C)CN[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000419235071 380784689 /nfs/dbraw/zinc/78/46/89/380784689.db2.gz YNVIXIOMBMMBLG-INIZCTEOSA-N 0 3 288.435 3.398 20 30 CGEDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356418986 380800419 /nfs/dbraw/zinc/80/04/19/380800419.db2.gz GTOQYUSZDLZQPB-IINYFYTJSA-N 0 3 298.308 3.234 20 30 CGEDHN CC[C@H]1CCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279205710 194331221 /nfs/dbraw/zinc/33/12/21/194331221.db2.gz GNIPZHVMFOFVHW-DZGCQCFKSA-N 0 3 296.374 3.277 20 30 CGEDHN CC[C@H]1C[C@H](CN(C)Cc2cc(C#N)ccc2F)CCO1 ZINC000356912532 380933594 /nfs/dbraw/zinc/93/35/94/380933594.db2.gz JPFXQNJRSLHGMH-ZBFHGGJFSA-N 0 3 290.382 3.334 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000357788075 381283917 /nfs/dbraw/zinc/28/39/17/381283917.db2.gz IRACKPJKQBKLPY-OLZOCXBDSA-N 0 3 258.365 3.019 20 30 CGEDHN CC#CCCCC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000359547020 381351793 /nfs/dbraw/zinc/35/17/93/381351793.db2.gz RFDLPHYTQOGYIZ-LSDHHAIUSA-N 0 3 290.407 3.019 20 30 CGEDHN C=C(CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000360214540 381483362 /nfs/dbraw/zinc/48/33/62/381483362.db2.gz WMDNZMBRBUZTLN-OWCLPIDISA-N 0 3 286.419 3.077 20 30 CGEDHN CC#CCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000362141281 381886334 /nfs/dbraw/zinc/88/63/34/381886334.db2.gz YRZCHUMQTUGWDS-LBPRGKRZSA-N 0 3 272.323 3.170 20 30 CGEDHN C=CC[C@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000361775350 381868003 /nfs/dbraw/zinc/86/80/03/381868003.db2.gz FUSAFYBNVWUNQI-MSOLQXFVSA-N 0 3 298.430 3.041 20 30 CGEDHN COCCN(Cc1cccc(C#N)c1F)[C@H]1CC[C@H](C)C1 ZINC000362159178 381891789 /nfs/dbraw/zinc/89/17/89/381891789.db2.gz UTHCRTUKVLSMIP-BBRMVZONSA-N 0 3 290.382 3.334 20 30 CGEDHN COc1ccccc1[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000347108124 532980841 /nfs/dbraw/zinc/98/08/41/532980841.db2.gz OBXXMCSXZGWNEN-GUYCJALGSA-N 0 3 294.354 3.060 20 30 CGEDHN C=CCCCN[C@H](c1cnn(C)c1)c1ccccc1 ZINC000272899489 542367495 /nfs/dbraw/zinc/36/74/95/542367495.db2.gz CSAYZNSLNYZNNJ-INIZCTEOSA-N 0 3 255.365 3.065 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000336442980 533110317 /nfs/dbraw/zinc/11/03/17/533110317.db2.gz SHZZWFHODKWQBB-STQMWFEESA-N 0 3 274.339 3.081 20 30 CGEDHN CC(C#N)C(=O)NCCSCc1cccc2ccccc21 ZINC000347061219 533114293 /nfs/dbraw/zinc/11/42/93/533114293.db2.gz DPOODAHERVTPLD-ZDUSSCGKSA-N 0 3 298.411 3.349 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000347084226 533116599 /nfs/dbraw/zinc/11/65/99/533116599.db2.gz MNXAJEZORQPUKV-JSGCOSHPSA-N 0 3 284.384 3.308 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H]1CCSc2c(F)cccc21 ZINC000321051750 542439784 /nfs/dbraw/zinc/43/97/84/542439784.db2.gz VXHLDPTXVCTUSG-FZMZJTMJSA-N 0 3 281.396 3.279 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccc(C#N)cc1F ZINC000427965349 533418251 /nfs/dbraw/zinc/41/82/51/533418251.db2.gz MIYTUNPPEWFVPQ-YPMHNXCESA-N 0 3 276.355 3.306 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1CC(C)(C)C[C@H]1C ZINC000412046198 533503173 /nfs/dbraw/zinc/50/31/73/533503173.db2.gz QQSANWMKXYLPOZ-CYBMUJFWSA-N 0 3 288.391 3.066 20 30 CGEDHN C[C@@H](Nc1ncc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000413272138 533564691 /nfs/dbraw/zinc/56/46/91/533564691.db2.gz TVLOGYBPOMWGEI-WBMJQRKESA-N 0 3 298.365 3.196 20 30 CGEDHN C[C@@H](Nc1ncc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000413272134 533564732 /nfs/dbraw/zinc/56/47/32/533564732.db2.gz TVLOGYBPOMWGEI-MLGOLLRUSA-N 0 3 298.365 3.196 20 30 CGEDHN C[C@@H](Nc1ncccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000439129095 533566996 /nfs/dbraw/zinc/56/69/96/533566996.db2.gz PUIMBCSZORLYLY-CZUORRHYSA-N 0 3 280.375 3.057 20 30 CGEDHN CN(CCOc1ccc(C#N)cc1)CCc1ccccc1 ZINC000051999254 392076365 /nfs/dbraw/zinc/07/63/65/392076365.db2.gz LYKUGUMWOUOXDO-UHFFFAOYSA-N 0 3 280.371 3.112 20 30 CGEDHN C=CCCCCCN1CC=C(c2ccnn2C)CC1 ZINC000285644297 392329767 /nfs/dbraw/zinc/32/97/67/392329767.db2.gz OORCKGFQICDMIN-UHFFFAOYSA-N 0 3 259.397 3.256 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](NCc2cc(C#N)cs2)C1(C)C ZINC000361899138 392357633 /nfs/dbraw/zinc/35/76/33/392357633.db2.gz INWLEULLQJDMOI-KGLIPLIRSA-N 0 3 278.421 3.301 20 30 CGEDHN CC(C)O[C@H]1C[C@H](NCc2ccccc2C#N)C1(C)C ZINC000361902336 392359538 /nfs/dbraw/zinc/35/95/38/392359538.db2.gz VPICTZOXKLJZAN-HOTGVXAUSA-N 0 3 272.392 3.240 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000121166624 392411385 /nfs/dbraw/zinc/41/13/85/392411385.db2.gz BPLKOJKKJBZJIO-AWEZNQCLSA-N 0 3 260.381 3.220 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2c1ccc(OC)c2F ZINC000289089983 392413391 /nfs/dbraw/zinc/41/33/91/392413391.db2.gz BLPBTCKTVQJEIZ-CYBMUJFWSA-N 0 3 281.396 3.330 20 30 CGEDHN C=CCC[C@H](NCCc1nnc(C)s1)c1ccco1 ZINC000289602712 392426261 /nfs/dbraw/zinc/42/62/61/392426261.db2.gz CQOSLEHALHRGOK-LBPRGKRZSA-N 0 3 277.393 3.279 20 30 CGEDHN C=C(C)COc1cc(CNC[C@@H](CC)OC)ccc1OC ZINC000289883239 392434767 /nfs/dbraw/zinc/43/47/67/392434767.db2.gz SAAFIEMUQVZRLQ-OAHLLOKOSA-N 0 3 293.407 3.165 20 30 CGEDHN C=C(C)CN1CCC(N[C@H](C)c2cccnc2Cl)CC1 ZINC000152977530 392509995 /nfs/dbraw/zinc/50/99/95/392509995.db2.gz ZMAYGSIXWWWVSO-CYBMUJFWSA-N 0 3 293.842 3.426 20 30 CGEDHN C=C[C@H](C)NCc1cc(Br)cc2c1OCC2 ZINC000156212409 392546676 /nfs/dbraw/zinc/54/66/76/392546676.db2.gz PVABNPMIDMFPBI-VIFPVBQESA-N 0 3 282.181 3.048 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cccc(OC(F)(F)F)c1 ZINC000320290154 392671029 /nfs/dbraw/zinc/67/10/29/392671029.db2.gz PTQWTZFVJQGQEH-LBPRGKRZSA-N 0 3 289.297 3.002 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC2(C1)CCCCC2 ZINC000303930591 392627543 /nfs/dbraw/zinc/62/75/43/392627543.db2.gz QNSMDBZXCYJELL-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN Cn1cccc1[C@@H]1CCCCN1CCCSCC#N ZINC000175138071 392648885 /nfs/dbraw/zinc/64/88/85/392648885.db2.gz WJQZXGVQPHKSMY-HNNXBMFYSA-N 0 3 277.437 3.199 20 30 CGEDHN C=CCCCCNCc1ccc(Br)cn1 ZINC000309033134 392656465 /nfs/dbraw/zinc/65/64/65/392656465.db2.gz CXFZIJOSBGSFQJ-UHFFFAOYSA-N 0 3 269.186 3.290 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000181275873 392726025 /nfs/dbraw/zinc/72/60/25/392726025.db2.gz SEFRJIZUCGPFGU-ZDUSSCGKSA-N 0 3 287.325 3.117 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000181534626 392733742 /nfs/dbraw/zinc/73/37/42/392733742.db2.gz RPLKTGRWSJLRQN-HOTGVXAUSA-N 0 3 288.435 3.193 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000334149330 392706489 /nfs/dbraw/zinc/70/64/89/392706489.db2.gz HHIKTFLMARVBKF-ZWNOBZJWSA-N 0 3 262.740 3.163 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCCN(c3ccccc3F)CC2)C1 ZINC000334325075 392720596 /nfs/dbraw/zinc/72/05/96/392720596.db2.gz FWMGOEFVMONSEN-HUUCEWRRSA-N 0 3 287.382 3.030 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCCN(c3ccccc3F)CC2)C1 ZINC000334325078 392720952 /nfs/dbraw/zinc/72/09/52/392720952.db2.gz FWMGOEFVMONSEN-LSDHHAIUSA-N 0 3 287.382 3.030 20 30 CGEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1OC ZINC000185656378 392773849 /nfs/dbraw/zinc/77/38/49/392773849.db2.gz LRLFIAWXXITMRB-IUODEOHRSA-N 0 3 258.365 3.187 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@H](CCCO)c1ccccc1 ZINC000186322497 392782796 /nfs/dbraw/zinc/78/27/96/392782796.db2.gz RLJAGUDFXNUXST-LJQANCHMSA-N 0 3 294.398 3.470 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000189235122 392804265 /nfs/dbraw/zinc/80/42/65/392804265.db2.gz FBKUNMQQWCKPCA-SFHVURJKSA-N 0 3 284.403 3.258 20 30 CGEDHN CC(C#N)C(=O)NC1c2ccccc2Oc2ccccc21 ZINC000335688385 392807991 /nfs/dbraw/zinc/80/79/91/392807991.db2.gz CJRDOTPBYHVCJJ-LLVKDONJSA-N 0 3 278.311 3.158 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ccnn2C)C1 ZINC000336451432 392856331 /nfs/dbraw/zinc/85/63/31/392856331.db2.gz FPTJRUDWQVQOIX-RHSMWYFYSA-N 0 3 294.402 3.232 20 30 CGEDHN C[C@@H]1Cc2ccccc2CN1CCOc1ccc(C#N)cc1 ZINC000525640492 392944674 /nfs/dbraw/zinc/94/46/74/392944674.db2.gz KVQKOAWHNGTDTA-OAHLLOKOSA-N 0 3 292.382 3.384 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](Oc3ccccc3)C2)C1 ZINC000338997594 392939007 /nfs/dbraw/zinc/93/90/07/392939007.db2.gz PJQXOBFQGCZPJT-BFYDXBDKSA-N 0 3 270.376 3.222 20 30 CGEDHN C=CCN1CCC(Nc2ncncc2-c2ccccc2)CC1 ZINC000339017522 392941973 /nfs/dbraw/zinc/94/19/73/392941973.db2.gz UMDYAYQTNCJUBW-UHFFFAOYSA-N 0 3 294.402 3.206 20 30 CGEDHN CCC(CC)CN(CCC#N)CCN1CCCCC1 ZINC000346423096 393087521 /nfs/dbraw/zinc/08/75/21/393087521.db2.gz CJQWRFVECHDPNX-UHFFFAOYSA-N 0 3 265.445 3.124 20 30 CGEDHN CC(=O)c1ccc2c(c1)CCN(CCC(C)(C)C#N)CC2 ZINC000345733316 393066372 /nfs/dbraw/zinc/06/63/72/393066372.db2.gz VSNGMAMWOWYDCU-UHFFFAOYSA-N 0 3 284.403 3.230 20 30 CGEDHN Cc1ccc(CCN(CC(F)(F)F)C(=O)C(C)C#N)cc1 ZINC000346216877 393080757 /nfs/dbraw/zinc/08/07/57/393080757.db2.gz HRQMOADKXAUMLH-GFCCVEGCSA-N 0 3 298.308 3.088 20 30 CGEDHN COC(=O)c1cccc(CN[C@H]2CCCC[C@@H]2C)c1C#N ZINC000548114973 393176625 /nfs/dbraw/zinc/17/66/25/393176625.db2.gz SWFIXEBXSTWEPH-LRDDRELGSA-N 0 3 286.375 3.013 20 30 CGEDHN C=CCc1cc(CN2CC(C3CCC3)C2)cc(OC)c1O ZINC000348670214 393127719 /nfs/dbraw/zinc/12/77/19/393127719.db2.gz IICADQINPZNQOH-UHFFFAOYSA-N 0 3 287.403 3.361 20 30 CGEDHN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccc(C#N)cc1 ZINC000278367394 393319620 /nfs/dbraw/zinc/31/96/20/393319620.db2.gz BWKZKROSNLALEQ-IAQYHMDHSA-N 0 3 254.337 3.083 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(CO)cc1 ZINC000272342923 393262011 /nfs/dbraw/zinc/26/20/11/393262011.db2.gz OYZVFPIKSVEQMJ-UHFFFAOYSA-N 0 3 294.398 3.461 20 30 CGEDHN COc1cc(CNc2cccc(CN(C)C)c2)ccc1C#N ZINC000281847192 393357088 /nfs/dbraw/zinc/35/70/88/393357088.db2.gz YWUYNTNKMFCIJP-UHFFFAOYSA-N 0 3 295.386 3.241 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)C1CCCCC1 ZINC000475047160 393369025 /nfs/dbraw/zinc/36/90/25/393369025.db2.gz KKMFQKTYKBLHIO-LJQANCHMSA-N 0 3 298.430 3.487 20 30 CGEDHN C=CCCN(C)Cc1cncc(CN(C)CCC=C)c1 ZINC000649471455 393439186 /nfs/dbraw/zinc/43/91/86/393439186.db2.gz WTYFKGPBSWFERF-UHFFFAOYSA-N 0 3 273.424 3.097 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](CC)N(CC)CC ZINC000359173996 393539968 /nfs/dbraw/zinc/53/99/68/393539968.db2.gz ZCLKMENWIQUTOG-OAHLLOKOSA-N 0 3 294.464 3.383 20 30 CGEDHN N#CCC1(CNCc2cc3ccc(F)cc3[nH]2)CC1 ZINC000430034637 393513380 /nfs/dbraw/zinc/51/33/80/393513380.db2.gz KPZOQSUQKJABJD-UHFFFAOYSA-N 0 3 257.312 3.090 20 30 CGEDHN CCc1cnccc1[C@H](C)NCCOc1ccccc1C#N ZINC000361134945 393680197 /nfs/dbraw/zinc/68/01/97/393680197.db2.gz JPLLORQSLWREPC-AWEZNQCLSA-N 0 3 295.386 3.245 20 30 CGEDHN CCCC[C@@H](COC)NCc1ccc(C#N)c(C)c1 ZINC000444005591 393783313 /nfs/dbraw/zinc/78/33/13/393783313.db2.gz RHDYMFOQLVEVHX-INIZCTEOSA-N 0 3 260.381 3.162 20 30 CGEDHN CCC(C)(C)OCCNCc1ccc(C#N)c(C)c1 ZINC000453608514 394257547 /nfs/dbraw/zinc/25/75/47/394257547.db2.gz CXBXLZZZTYNZLT-UHFFFAOYSA-N 0 3 260.381 3.162 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000668492452 543020267 /nfs/dbraw/zinc/02/02/67/543020267.db2.gz BDIUULKFTPUCML-CYBMUJFWSA-N 0 3 261.413 3.495 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](CO)C[C@@H](C)CC ZINC000647242911 397714974 /nfs/dbraw/zinc/71/49/74/397714974.db2.gz ANKFIVOJMKBCFW-GOEBONIOSA-N 0 3 277.408 3.138 20 30 CGEDHN COCC#CCN[C@H](c1ccccc1)C1CCCC1 ZINC000677818915 543468126 /nfs/dbraw/zinc/46/81/26/543468126.db2.gz LIKKHXDUXCFJEC-QGZVFWFLSA-N 0 3 257.377 3.157 20 30 CGEDHN COCC#CCN[C@H](CC(C)C)c1ccccc1C ZINC000678772515 543556044 /nfs/dbraw/zinc/55/60/44/543556044.db2.gz ACQKEDGEIZBCRO-QGZVFWFLSA-N 0 3 259.393 3.322 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc2ccccc21 ZINC000678728847 543550540 /nfs/dbraw/zinc/55/05/40/543550540.db2.gz PZLIHURSCQWVNO-GUYCJALGSA-N 0 3 255.361 3.427 20 30 CGEDHN N#Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)ccn1 ZINC000285604934 196340555 /nfs/dbraw/zinc/34/05/55/196340555.db2.gz LVXPPYGQHDBBTL-MRXNPFEDSA-N 0 3 296.374 3.185 20 30 CGEDHN N#Cc1cc(NC[C@@H](c2ccco2)N2CCCCC2)ccn1 ZINC000285604923 196341272 /nfs/dbraw/zinc/34/12/72/196341272.db2.gz LVXPPYGQHDBBTL-INIZCTEOSA-N 0 3 296.374 3.185 20 30 CGEDHN COc1ccccc1[C@H](CC(C)C)NC(=O)C(C)C#N ZINC000349572294 416541948 /nfs/dbraw/zinc/54/19/48/416541948.db2.gz YVIVYCGXAPCOIL-OCCSQVGLSA-N 0 3 274.364 3.058 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121786655 416504482 /nfs/dbraw/zinc/50/44/82/416504482.db2.gz VGNUNSDJXKVKPT-SZMVWBNQSA-N 0 3 299.414 3.299 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@@H](COc2ccccc2)C1 ZINC000679540442 543643608 /nfs/dbraw/zinc/64/36/08/543643608.db2.gz MCVMYAXMGDZDGW-HZPDHXFCSA-N 0 3 257.377 3.189 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680108861 543685633 /nfs/dbraw/zinc/68/56/33/543685633.db2.gz KPRHOWZUPLGGOM-CJNGLKHVSA-N 0 3 261.340 3.081 20 30 CGEDHN CC(C)Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000680617472 543719712 /nfs/dbraw/zinc/71/97/12/543719712.db2.gz QHMRWZADXQMWGH-HNNXBMFYSA-N 0 3 279.343 3.165 20 30 CGEDHN CC(C#N)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000347045055 226026880 /nfs/dbraw/zinc/02/68/80/226026880.db2.gz YZQGSZBROWJQME-ZDUSSCGKSA-N 0 3 280.327 3.255 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000347118484 226032638 /nfs/dbraw/zinc/03/26/38/226032638.db2.gz VTOQFELALBYQPF-VIFPVBQESA-N 0 3 282.746 3.033 20 30 CGEDHN Cc1ccc(C)c([C@@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000336527723 227096786 /nfs/dbraw/zinc/09/67/86/227096786.db2.gz YYUDCUNGZQCORB-ZFWWWQNUSA-N 0 3 256.349 3.127 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000658335407 418940606 /nfs/dbraw/zinc/94/06/06/418940606.db2.gz WFFSUWYDMYXHKH-GOEBONIOSA-N 0 3 277.408 3.309 20 30 CGEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000665269841 419097081 /nfs/dbraw/zinc/09/70/81/419097081.db2.gz NSKPPPOMQQUROD-LSDHHAIUSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCCn1cc(CNCC2(CC(C)C)CCC2)nn1 ZINC000657393589 419269247 /nfs/dbraw/zinc/26/92/47/419269247.db2.gz WLZFONHNVQHQHZ-UHFFFAOYSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000661378840 419255471 /nfs/dbraw/zinc/25/54/71/419255471.db2.gz MZRBJCZLFZNOGJ-ZIAGYGMSSA-N 0 3 298.390 3.481 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)Cc2cc(C)cc(C)c2)nn1 ZINC000657377931 419263817 /nfs/dbraw/zinc/26/38/17/419263817.db2.gz SBEBEEVOKIUEGW-MRXNPFEDSA-N 0 3 298.434 3.192 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc2cccc(CC)c2o1 ZINC000657435424 419277483 /nfs/dbraw/zinc/27/74/83/419277483.db2.gz NOLHGROLVMQZJH-AWEZNQCLSA-N 0 3 259.349 3.022 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(F)c(F)c1F ZINC000657455576 419283023 /nfs/dbraw/zinc/28/30/23/419283023.db2.gz VMOHBPQCABXPOL-IAQYHMDHSA-N 0 3 285.309 3.175 20 30 CGEDHN C=CCCn1cc(CN[C@H](CC=C)Cc2ccccc2)nn1 ZINC000657494332 419293933 /nfs/dbraw/zinc/29/39/33/419293933.db2.gz FRJQGOBZMPDHEK-QGZVFWFLSA-N 0 3 296.418 3.131 20 30 CGEDHN C=CCN(CC(=O)N1[C@H](C)CCC[C@H]1C)C(C)(C)C ZINC000661755922 419295358 /nfs/dbraw/zinc/29/53/58/419295358.db2.gz VFMJDXRYKARFNS-ZIAGYGMSSA-N 0 3 266.429 3.062 20 30 CGEDHN C=CCCCCCNCc1c(C(F)(F)F)cnn1C ZINC000657505111 419295779 /nfs/dbraw/zinc/29/57/79/419295779.db2.gz UPGKYPUOCVZEAE-UHFFFAOYSA-N 0 3 275.318 3.275 20 30 CGEDHN C=CCC1(NCc2cc(OC)ccc2F)CCOCC1 ZINC000657634058 419317063 /nfs/dbraw/zinc/31/70/63/419317063.db2.gz ABJQKVOAWJNAET-UHFFFAOYSA-N 0 3 279.355 3.049 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000662083007 419333338 /nfs/dbraw/zinc/33/33/38/419333338.db2.gz ZCNYDKHBMAVTHS-ZOFXXKQRSA-N 0 3 290.451 3.347 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(C)c1ccccc1 ZINC000662082942 419333745 /nfs/dbraw/zinc/33/37/45/419333745.db2.gz YPFAEWYNRBUDMZ-OIISXLGYSA-N 0 3 284.403 3.221 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCCn1c2ccccc2[nH]c1=O ZINC000662085600 419334740 /nfs/dbraw/zinc/33/47/40/419334740.db2.gz IAIFBSADNQPLHY-GASCZTMLSA-N 0 3 297.402 3.315 20 30 CGEDHN C=CCOCCCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000658210357 419661522 /nfs/dbraw/zinc/66/15/22/419661522.db2.gz QYSJSJHXUACXOW-MRXNPFEDSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nccc(OC)c1F ZINC000658225497 419682253 /nfs/dbraw/zinc/68/22/53/419682253.db2.gz UFIGNBFGYFWDOL-CHWSQXEVSA-N 0 3 278.371 3.454 20 30 CGEDHN C=CCC[C@H](NC[C@H](CO)CC1CC1)c1ccco1 ZINC000658257293 419712162 /nfs/dbraw/zinc/71/21/62/419712162.db2.gz ZIHBLRPURUEHNP-CABCVRRESA-N 0 3 263.381 3.285 20 30 CGEDHN C=CCCC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000363349191 260113649 /nfs/dbraw/zinc/11/36/49/260113649.db2.gz NWTIPSVBAWNXME-MRXNPFEDSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1 ZINC000075783487 260165914 /nfs/dbraw/zinc/16/59/14/260165914.db2.gz SGROCWMTOYNAGB-KRWDZBQOSA-N 0 3 297.402 3.152 20 30 CGEDHN COC[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(C)o1 ZINC000449177266 260273591 /nfs/dbraw/zinc/27/35/91/260273591.db2.gz PMFQGUGAIBIDSH-NPCAHTBFSA-N 0 3 276.380 3.338 20 30 CGEDHN C[C@@H](c1ccsc1)N1CCN(CCCCC#N)CC1 ZINC000185443110 262054310 /nfs/dbraw/zinc/05/43/10/262054310.db2.gz XVALURHJCJZOBC-AWEZNQCLSA-N 0 3 277.437 3.121 20 30 CGEDHN CC(C)Oc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185782519 262070644 /nfs/dbraw/zinc/07/06/44/262070644.db2.gz JPHQWBPAFUMMQU-UKRRQHHQSA-N 0 3 273.380 3.041 20 30 CGEDHN CC(C)Oc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185782533 262070798 /nfs/dbraw/zinc/07/07/98/262070798.db2.gz JPHQWBPAFUMMQU-HIFRSBDPSA-N 0 3 273.380 3.041 20 30 CGEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000191888216 262196277 /nfs/dbraw/zinc/19/62/77/262196277.db2.gz WLTSRMRCLQIFLF-OKZBNKHCSA-N 0 3 281.403 3.431 20 30 CGEDHN N#CCCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192022754 262197544 /nfs/dbraw/zinc/19/75/44/262197544.db2.gz CMHZDKVXMKTTIE-ZIAGYGMSSA-N 0 3 264.756 3.063 20 30 CGEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000192632990 262206809 /nfs/dbraw/zinc/20/68/09/262206809.db2.gz PXABHNHSHLESBC-WCQYABFASA-N 0 3 262.328 3.006 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Cn3cccn3)cc2)C1 ZINC000192630690 262206856 /nfs/dbraw/zinc/20/68/56/262206856.db2.gz ZNYWKPPWCJYHEH-MSOLQXFVSA-N 0 3 294.402 3.103 20 30 CGEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000192740326 262210380 /nfs/dbraw/zinc/21/03/80/262210380.db2.gz ZZSAEGMMVLHHDA-DYEKYZERSA-N 0 3 273.336 3.328 20 30 CGEDHN COc1cc(F)cc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000193066613 262215624 /nfs/dbraw/zinc/21/56/24/262215624.db2.gz PEOHKDXDIUDHME-BXUZGUMPSA-N 0 3 262.328 3.006 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](C3CC3)C2)c(Cl)c1 ZINC000400242717 262215959 /nfs/dbraw/zinc/21/59/59/262215959.db2.gz RVJDPPWYYNXSJX-CYBMUJFWSA-N 0 3 260.768 3.444 20 30 CGEDHN C=CCOc1ccccc1CNCCc1csc(C)n1 ZINC000221818739 262299948 /nfs/dbraw/zinc/29/99/48/262299948.db2.gz MLIYCAXAVVYNJU-UHFFFAOYSA-N 0 3 288.416 3.349 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000365252553 262355201 /nfs/dbraw/zinc/35/52/01/262355201.db2.gz CKYDAPXFEPWLBR-MOPGFXCFSA-N 0 3 283.415 3.177 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000365279263 262357842 /nfs/dbraw/zinc/35/78/42/262357842.db2.gz XUCIQXFPVBOQCK-PMACEKPBSA-N 0 3 291.394 3.406 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)COC(C)C ZINC000337345465 262446760 /nfs/dbraw/zinc/44/67/60/262446760.db2.gz VDBQVHGMIRHCBK-AWEZNQCLSA-N 0 3 263.381 3.155 20 30 CGEDHN C[C@H](C/N=C/c1cccc(O)c1O)N(C)Cc1ccccc1 ZINC000264636769 262891707 /nfs/dbraw/zinc/89/17/07/262891707.db2.gz LVECSTKIOMCGQN-ONDHQXCVSA-N 0 3 298.386 3.037 20 30 CGEDHN COc1ccc(OCCCN2CCC(C)(C#N)CC2)cc1 ZINC000272613177 263007694 /nfs/dbraw/zinc/00/76/94/263007694.db2.gz SQOILBYJDYSBHI-UHFFFAOYSA-N 0 3 288.391 3.090 20 30 CGEDHN N#CCCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000273205866 263013951 /nfs/dbraw/zinc/01/39/51/263013951.db2.gz JNBSCKXIRNHULG-CQSZACIVSA-N 0 3 256.349 3.326 20 30 CGEDHN N#CCCCN[C@H]1CCOc2c(Br)cccc21 ZINC000273272710 263014544 /nfs/dbraw/zinc/01/45/44/263014544.db2.gz OQBPYTNXNNPHCN-LBPRGKRZSA-N 0 3 295.180 3.166 20 30 CGEDHN Cc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000274569023 263026552 /nfs/dbraw/zinc/02/65/52/263026552.db2.gz AOXPIRJMMLYJFL-OUCADQQQSA-N 0 3 273.336 3.246 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000281948836 263073216 /nfs/dbraw/zinc/07/32/16/263073216.db2.gz LXNPYLXJDVOGIL-AHIWAGSCSA-N 0 3 297.402 3.378 20 30 CGEDHN CCN(CC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291480130 263123155 /nfs/dbraw/zinc/12/31/55/263123155.db2.gz QTJTVEVHPIUCOU-MRXNPFEDSA-N 0 3 297.402 3.135 20 30 CGEDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(CCOCCC#N)C1 ZINC000292837208 263135458 /nfs/dbraw/zinc/13/54/58/263135458.db2.gz PFEMHCJGZPPCCA-CZUORRHYSA-N 0 3 276.355 3.139 20 30 CGEDHN Cc1cc(F)ccc1C1CCN(CCOCCC#N)CC1 ZINC000293466503 263140732 /nfs/dbraw/zinc/14/07/32/263140732.db2.gz DQEVTLLPYGNQHR-UHFFFAOYSA-N 0 3 290.382 3.244 20 30 CGEDHN C=C(CNCc1c[nH]nc1-c1cccnc1)c1ccccc1 ZINC000340437723 263147661 /nfs/dbraw/zinc/14/76/61/263147661.db2.gz ZXZVPSMTLUGBQV-UHFFFAOYSA-N 0 3 290.370 3.275 20 30 CGEDHN CCCC[C@@H](NCCOCCC#N)c1ccc(OC)cc1 ZINC000293799358 263149571 /nfs/dbraw/zinc/14/95/71/263149571.db2.gz NEAUIHRCCMJWLY-QGZVFWFLSA-N 0 3 290.407 3.446 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(C(F)(F)F)c2)C1 ZINC000295034682 263171188 /nfs/dbraw/zinc/17/11/88/263171188.db2.gz MABBGHXPQSTQKV-CMPLNLGQSA-N 0 3 283.297 3.272 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000353569660 263173782 /nfs/dbraw/zinc/17/37/82/263173782.db2.gz RRWOLRCSQGRPMH-HIFRSBDPSA-N 0 3 293.407 3.072 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000298553576 263222136 /nfs/dbraw/zinc/22/21/36/263222136.db2.gz YWZSLVWQGQGSBZ-IUODEOHRSA-N 0 3 278.783 3.485 20 30 CGEDHN Cc1cnc(C2CCN([C@H](C)CCC#N)CC2)s1 ZINC000298593316 263222755 /nfs/dbraw/zinc/22/27/55/263222755.db2.gz RXCIAYXZXXJNMT-LLVKDONJSA-N 0 3 263.410 3.323 20 30 CGEDHN COCC1(C#N)CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000341972482 263372358 /nfs/dbraw/zinc/37/23/58/263372358.db2.gz FNIPRQQTVPRXJN-HNNXBMFYSA-N 0 3 272.392 3.308 20 30 CGEDHN CC[C@H](c1ccccc1)N1CCC(C#N)(COC)CC1 ZINC000341972509 263372494 /nfs/dbraw/zinc/37/24/94/263372494.db2.gz FQYFDIUKJWPAKS-MRXNPFEDSA-N 0 3 272.392 3.390 20 30 CGEDHN C=CCCN(C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000342733738 263483467 /nfs/dbraw/zinc/48/34/67/263483467.db2.gz NVCZDGXVPOAWDI-CYBMUJFWSA-N 0 3 294.826 3.367 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]1C ZINC000072875239 264272732 /nfs/dbraw/zinc/27/27/32/264272732.db2.gz VRQRIDPAKIMTBS-KBPBESRZSA-N 0 3 292.448 3.136 20 30 CGEDHN C=CCN(CC=C)CC[C@H](C(=O)OC)c1ccccc1 ZINC000425409605 264285963 /nfs/dbraw/zinc/28/59/63/264285963.db2.gz VKOAIQRGMYFNFZ-INIZCTEOSA-N 0 3 273.376 3.007 20 30 CGEDHN C=CCCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000076388178 264337181 /nfs/dbraw/zinc/33/71/81/264337181.db2.gz HPICNQZGBIRCCD-INIZCTEOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCOCCN[C@H](C)c1sc(CC)nc1C ZINC000090883484 264412885 /nfs/dbraw/zinc/41/28/85/264412885.db2.gz LBAKSGWPVWTFFX-LLVKDONJSA-N 0 3 268.426 3.257 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(Cl)c1)C1CC1 ZINC000357557263 266323098 /nfs/dbraw/zinc/32/30/98/266323098.db2.gz XJZYINGTRFZRAR-UHFFFAOYSA-N 0 3 251.757 3.499 20 30 CGEDHN CCC1(Cc2ccccc2)CCN(C(=O)C(C)C#N)CC1 ZINC000358194441 266436961 /nfs/dbraw/zinc/43/69/61/266436961.db2.gz ZRIFJYZBHSHTIN-OAHLLOKOSA-N 0 3 284.403 3.408 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)C[C@@H](C)O)cc1Cl ZINC000361043085 266773189 /nfs/dbraw/zinc/77/31/89/266773189.db2.gz NKQWLVBWHVTCII-NWDGAFQWSA-N 0 3 283.799 3.154 20 30 CGEDHN Cc1cccc(CCNC2CC(C#N)(c3ccccc3)C2)n1 ZINC000370124543 267293062 /nfs/dbraw/zinc/29/30/62/267293062.db2.gz ZAMGKKDMABVFOE-UHFFFAOYSA-N 0 3 291.398 3.146 20 30 CGEDHN C[C@@H]1[C@H](NCC2(C#N)CCC2)C[C@@H]1c1ccccc1 ZINC000418137577 267372392 /nfs/dbraw/zinc/37/23/92/267372392.db2.gz DZTXJGPRPITFNU-CWRNSKLLSA-N 0 3 254.377 3.462 20 30 CGEDHN N#Cc1ccc(CNCC(C2CCC2)C2CCC2)o1 ZINC000527738867 268232448 /nfs/dbraw/zinc/23/24/48/268232448.db2.gz YFRDVYZGTKSOGH-UHFFFAOYSA-N 0 3 258.365 3.457 20 30 CGEDHN N#Cc1ccc(N2CCN(CC3CCCCC3)CC2)cc1 ZINC000520055743 268234403 /nfs/dbraw/zinc/23/44/03/268234403.db2.gz WFAOPPQSNLWQMT-UHFFFAOYSA-N 0 3 283.419 3.261 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@@H](C)c1ccc(C#N)cc1)OC ZINC000294182300 287714162 /nfs/dbraw/zinc/71/41/62/287714162.db2.gz KFPMBNVHPPILSB-XEZPLFJOSA-N 0 3 260.381 3.270 20 30 CGEDHN CN(C)[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccco1 ZINC000353391360 276792717 /nfs/dbraw/zinc/79/27/17/276792717.db2.gz WXZOFLPPIWCKIU-IAGOWNOFSA-N 0 3 295.386 3.031 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000294916892 276880839 /nfs/dbraw/zinc/88/08/39/276880839.db2.gz GFYBIGLYFJAOAU-HIFRSBDPSA-N 0 3 274.408 3.006 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000268136911 277822690 /nfs/dbraw/zinc/82/26/90/277822690.db2.gz BOUKQGWIWZOFFU-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000340448130 278364395 /nfs/dbraw/zinc/36/43/95/278364395.db2.gz GICLMFICXJTPEF-NWDGAFQWSA-N 0 3 267.332 3.071 20 30 CGEDHN N#Cc1ccc(O[C@H]2CCN([C@H]3C=CCCCCC3)C2)nc1 ZINC000550105614 289066903 /nfs/dbraw/zinc/06/69/03/289066903.db2.gz NZUJKWCJIFVXHL-IRXDYDNUSA-N 0 3 297.402 3.295 20 30 CGEDHN N#Cc1ccc(Cl)cc1N1CC[C@@H](N2CCCCC2)C1 ZINC000110259060 294918469 /nfs/dbraw/zinc/91/84/69/294918469.db2.gz NMNCNUXYJMDORW-OAHLLOKOSA-N 0 3 289.810 3.276 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CS[C@H](C)C1 ZINC000397731154 327914872 /nfs/dbraw/zinc/91/48/72/327914872.db2.gz AFDOIBBBOAGPDD-OCCSQVGLSA-N 0 3 263.406 3.235 20 30 CGEDHN N#CC1CCN(CCCCCOc2ccccc2)CC1 ZINC000187085855 327943152 /nfs/dbraw/zinc/94/31/52/327943152.db2.gz CTZMYVZRVSBANS-UHFFFAOYSA-N 0 3 272.392 3.471 20 30 CGEDHN CC(C)[C@](C)(CO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000563614102 328077853 /nfs/dbraw/zinc/07/78/53/328077853.db2.gz WKZRBQKAXFBDKS-HNNXBMFYSA-N 0 3 299.336 3.054 20 30 CGEDHN C=C(C)CN(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412246276 328106470 /nfs/dbraw/zinc/10/64/70/328106470.db2.gz RGFBNOFTOMFCHF-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN Cc1ccc2nc(CNCC(C)(C)CCC#N)cn2c1 ZINC000266191867 328168221 /nfs/dbraw/zinc/16/82/21/328168221.db2.gz IUDCTSMZISKVHI-UHFFFAOYSA-N 0 3 270.380 3.062 20 30 CGEDHN C[C@@H](NCCCC#N)c1ccccc1OC(F)F ZINC000271841285 328197877 /nfs/dbraw/zinc/19/78/77/328197877.db2.gz YOPWFCIDSJXZHG-SNVBAGLBSA-N 0 3 254.280 3.242 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(-n2cccn2)cc1 ZINC000274640224 328212449 /nfs/dbraw/zinc/21/24/49/328212449.db2.gz QYRYUYMLDBSAJO-LZWOXQAQSA-N 0 3 280.375 3.215 20 30 CGEDHN Cc1cccnc1[C@H](N[C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000278641003 328229152 /nfs/dbraw/zinc/22/91/52/328229152.db2.gz PBKBCEAUWQRXMT-RRFJBIMHSA-N 0 3 257.381 3.369 20 30 CGEDHN CN(c1ccccc1)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278690685 328229412 /nfs/dbraw/zinc/22/94/12/328229412.db2.gz SEZXIMJSHOWIQU-MAUKXSAKSA-N 0 3 283.419 3.279 20 30 CGEDHN Cc1ccc([C@@H]2CCCCCN2CCOCCC#N)o1 ZINC000292947110 328274073 /nfs/dbraw/zinc/27/40/73/328274073.db2.gz BUZHNXRPJHIHTI-HNNXBMFYSA-N 0 3 276.380 3.435 20 30 CGEDHN CN(CCOCCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000293415066 328275640 /nfs/dbraw/zinc/27/56/40/328275640.db2.gz IIZLGJSKRICBOD-UHFFFAOYSA-N 0 3 286.297 3.067 20 30 CGEDHN CC(C)C[C@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000582913023 329287877 /nfs/dbraw/zinc/28/78/77/329287877.db2.gz PSULBLGUQLIUJV-MRXNPFEDSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)[C@H]2CCCC[C@@H]12 ZINC000565750922 322089366 /nfs/dbraw/zinc/08/93/66/322089366.db2.gz LMNRBLFXDIPURL-COXVUDFISA-N 0 3 271.408 3.297 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)c(OC)c2)c(C)c1 ZINC000567316933 322158771 /nfs/dbraw/zinc/15/87/71/322158771.db2.gz IRZFTMBKULGUGU-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN COC(=O)c1cccc(CN2CC[C@@H]3CCCC[C@@H]32)c1C#N ZINC000567791120 322178223 /nfs/dbraw/zinc/17/82/23/322178223.db2.gz HJZAJYPCBXUGDV-GUYCJALGSA-N 0 3 298.386 3.109 20 30 CGEDHN COc1ccccc1OCCNCc1ccc(C#N)c(C)c1 ZINC000570767731 322281572 /nfs/dbraw/zinc/28/15/72/322281572.db2.gz AAOASDKHCOOYSP-UHFFFAOYSA-N 0 3 296.370 3.044 20 30 CGEDHN C=CCN(CC=C)Cc1cc2ccccc2[nH]c1=O ZINC000111683541 328374473 /nfs/dbraw/zinc/37/44/73/328374473.db2.gz URQSIVSCTNOQHZ-UHFFFAOYSA-N 0 3 254.333 3.114 20 30 CGEDHN CC[C@H]1CN(CCCC(C)(C)C#N)C[C@H](CC)O1 ZINC000398521476 328594287 /nfs/dbraw/zinc/59/42/87/328594287.db2.gz MVPZGLHTTBZDGR-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN CO[C@H](Cc1ccc(F)cc1)CN1CCC(C)(C#N)CC1 ZINC000528437143 326901767 /nfs/dbraw/zinc/90/17/67/326901767.db2.gz DSSOQYKHOLBMJH-MRXNPFEDSA-N 0 3 290.382 3.009 20 30 CGEDHN Cn1nccc1-c1ccccc1CN1CCC(CC#N)CC1 ZINC000556837510 326970716 /nfs/dbraw/zinc/97/07/16/326970716.db2.gz ZUSPKOAOJBWKFS-UHFFFAOYSA-N 0 3 294.402 3.213 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000090883676 327101522 /nfs/dbraw/zinc/10/15/22/327101522.db2.gz DXUPWEKFMPZQFJ-OAHLLOKOSA-N 0 3 285.391 3.116 20 30 CGEDHN N#CCSCCCN(Cc1ccc(F)cc1)C1CC1 ZINC000074980420 327122371 /nfs/dbraw/zinc/12/23/71/327122371.db2.gz NYHPSSOCZFXRTG-UHFFFAOYSA-N 0 3 278.396 3.437 20 30 CGEDHN C[C@H](c1ccccc1F)N(C)CCCSCC#N ZINC000074981902 327122873 /nfs/dbraw/zinc/12/28/73/327122873.db2.gz SIWDNGHCEPYSMZ-GFCCVEGCSA-N 0 3 266.385 3.465 20 30 CGEDHN C=CCOCCN(C)CCCOc1cccc(Cl)c1 ZINC000559049603 327139050 /nfs/dbraw/zinc/13/90/50/327139050.db2.gz OJOKSHRWJZUCSS-UHFFFAOYSA-N 0 3 283.799 3.243 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNCc1occc1C)C(C)C ZINC000531006018 327213209 /nfs/dbraw/zinc/21/32/09/327213209.db2.gz MLWDZRXRKRMVDY-INIZCTEOSA-N 0 3 276.424 3.376 20 30 CGEDHN CC(C)(C#N)CCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531101112 327246510 /nfs/dbraw/zinc/24/65/10/327246510.db2.gz DASWNPQMVBNUIU-GFCCVEGCSA-N 0 3 292.345 3.360 20 30 CGEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C1CC1 ZINC000427576037 327397813 /nfs/dbraw/zinc/39/78/13/327397813.db2.gz ZCVQBGZAKZLENI-SJORKVTESA-N 0 3 296.414 3.406 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CSC[C@H]1C ZINC000295152903 327609805 /nfs/dbraw/zinc/60/98/05/327609805.db2.gz JQWPCOHWTCHCTA-TZMCWYRMSA-N 0 3 263.406 3.093 20 30 CGEDHN C=CCNC(=O)CNC(CC)(CC)c1ccc(Cl)cc1 ZINC000103480453 328770885 /nfs/dbraw/zinc/77/08/85/328770885.db2.gz JTCDMHUAUNFNFB-UHFFFAOYSA-N 0 3 294.826 3.247 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](N(C)CCCC#N)C1(C)C ZINC000177734844 329186641 /nfs/dbraw/zinc/18/66/41/329186641.db2.gz ULWTWZYCGKHZLN-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180904132 329223974 /nfs/dbraw/zinc/22/39/74/329223974.db2.gz IHYVUDWEJBZDPS-MLGOLLRUSA-N 0 3 273.355 3.203 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000180949380 329224184 /nfs/dbraw/zinc/22/41/84/329224184.db2.gz QNYGAXFRCCEJMC-NEPJUHHUSA-N 0 3 288.370 3.330 20 30 CGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000181049162 329225428 /nfs/dbraw/zinc/22/54/28/329225428.db2.gz PNYSKFWDAIQNCT-UHFFFAOYSA-N 0 3 259.328 3.224 20 30 CGEDHN C=C(C)CN(C)Cc1cccc(OCCCC#N)c1 ZINC000181044507 329225456 /nfs/dbraw/zinc/22/54/56/329225456.db2.gz CLMPFIUIFMOYBF-UHFFFAOYSA-N 0 3 258.365 3.377 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000181327709 329231718 /nfs/dbraw/zinc/23/17/18/329231718.db2.gz SWQZEVIVMYSEME-UHFFFAOYSA-N 0 3 269.392 3.497 20 30 CGEDHN C=C(CN[C@@H]1C[C@H](OCC)[C@@H]1SC)c1ccccc1 ZINC000459380317 329232544 /nfs/dbraw/zinc/23/25/44/329232544.db2.gz BENIAJPAIGXKIY-OWCLPIDISA-N 0 3 277.433 3.198 20 30 CGEDHN C=C(C)COCCNCc1cc(C)cc(Cl)c1 ZINC000395178393 329278329 /nfs/dbraw/zinc/27/83/29/329278329.db2.gz CYHZFRSRZFNBMP-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@H]1COc2ccccc21 ZINC000185553616 329326546 /nfs/dbraw/zinc/32/65/46/329326546.db2.gz OCAFNHQDKBJEBE-KBXCAEBGSA-N 0 3 295.357 3.332 20 30 CGEDHN COc1ccc(C)cc1CN1CCC(CC#N)CC1 ZINC000397355109 329351189 /nfs/dbraw/zinc/35/11/89/329351189.db2.gz HTSYZSRLHHUTGC-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419334173 329717882 /nfs/dbraw/zinc/71/78/82/329717882.db2.gz GJXIZPHHSAIRTE-HNNXBMFYSA-N 0 3 298.430 3.415 20 30 CGEDHN N#CCCOCCNC(c1ccccc1)c1ccccc1 ZINC000292770600 329748966 /nfs/dbraw/zinc/74/89/66/329748966.db2.gz JPAQYRUYQKMDLJ-UHFFFAOYSA-N 0 3 280.371 3.296 20 30 CGEDHN C=C(CC)CN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000429555545 329869770 /nfs/dbraw/zinc/86/97/70/329869770.db2.gz FUKNNXPDSYKOIH-OAHLLOKOSA-N 0 3 271.364 3.218 20 30 CGEDHN C=CCSCCNCc1ccc(OC(C)C)c(OC)c1 ZINC000222064282 329886981 /nfs/dbraw/zinc/88/69/81/329886981.db2.gz KOKFEYROPVRTNK-UHFFFAOYSA-N 0 3 295.448 3.491 20 30 CGEDHN C=CCCCN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000275656409 330110704 /nfs/dbraw/zinc/11/07/04/330110704.db2.gz NQJIYONGPGFRJH-UHFFFAOYSA-N 0 3 289.423 3.221 20 30 CGEDHN C=CC1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423187528 330175810 /nfs/dbraw/zinc/17/58/10/330175810.db2.gz YCGSUOYOGWXXDC-MRXNPFEDSA-N 0 3 286.419 3.137 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000423950458 330217190 /nfs/dbraw/zinc/21/71/90/330217190.db2.gz YJIXLIGPBMNOJR-KRWDZBQOSA-N 0 3 286.419 3.133 20 30 CGEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc2ccccc21 ZINC000424066544 330219254 /nfs/dbraw/zinc/21/92/54/330219254.db2.gz NOLPIWDACWOEJY-DYVFJYSZSA-N 0 3 295.386 3.038 20 30 CGEDHN C=CC[C@@H](C)NCc1ncc(Br)cc1F ZINC000527660101 330273534 /nfs/dbraw/zinc/27/35/34/330273534.db2.gz DFUPJRIVOCKRFZ-MRVPVSSYSA-N 0 3 273.149 3.037 20 30 CGEDHN COc1ccc(CN[C@@H]2CC23CC3)cc1OCCCC#N ZINC000424184474 330320158 /nfs/dbraw/zinc/32/01/58/330320158.db2.gz MIAQYDPJGUMNAM-MRXNPFEDSA-N 0 3 286.375 3.020 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NC1CCCCC1 ZINC000532967962 330323362 /nfs/dbraw/zinc/32/33/62/330323362.db2.gz MHDCIFINPDCZKX-UHFFFAOYSA-N 0 3 266.429 3.114 20 30 CGEDHN N#C[C@H]1CC[C@@H](NC/C=C\c2ccc(F)c(F)c2)C1 ZINC000424207253 330327849 /nfs/dbraw/zinc/32/78/49/330327849.db2.gz XOHUXXPMGUOSRD-RUHGSLFBSA-N 0 3 262.303 3.260 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000424292290 330335022 /nfs/dbraw/zinc/33/50/22/330335022.db2.gz GGODKHZZFNSXSA-WDSOQIARSA-N 0 3 294.398 3.352 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)COC2 ZINC000424325926 330338955 /nfs/dbraw/zinc/33/89/55/330338955.db2.gz LHGIXQYYPFHHBB-BFQNTYOBSA-N 0 3 256.349 3.060 20 30 CGEDHN COc1ccc(OC)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424324878 330341155 /nfs/dbraw/zinc/34/11/55/330341155.db2.gz KIWUTTHAFOEKFU-FRRDWIJNSA-N 0 3 274.364 3.047 20 30 CGEDHN C=C(C)COCCN[C@@H](CC(C)C)c1ccccn1 ZINC000090451180 330392575 /nfs/dbraw/zinc/39/25/75/330392575.db2.gz NHOVGIZKZGMZQD-INIZCTEOSA-N 0 3 262.397 3.351 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000121048242 330395401 /nfs/dbraw/zinc/39/54/01/330395401.db2.gz QUEJUAXBXLFEDN-JKSUJKDBSA-N 0 3 288.435 3.193 20 30 CGEDHN CCOc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442785262 330783062 /nfs/dbraw/zinc/78/30/62/330783062.db2.gz RKKRFDSMUKCYKK-DZGCQCFKSA-N 0 3 258.365 3.176 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCOc2ccc(Cl)cc2)C1 ZINC000442785127 330783190 /nfs/dbraw/zinc/78/31/90/330783190.db2.gz WUYODFFRWFCJLH-AAEUAGOBSA-N 0 3 264.756 3.001 20 30 CGEDHN CCCNc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442865812 330788436 /nfs/dbraw/zinc/78/84/36/330788436.db2.gz UVTCXRIQKSDUBY-ZBFHGGJFSA-N 0 3 257.381 3.290 20 30 CGEDHN C=CC[C@@H](CC)NCc1ncc(CSC)s1 ZINC000293146286 330814918 /nfs/dbraw/zinc/81/49/18/330814918.db2.gz DIMQNLAUQALCPZ-SNVBAGLBSA-N 0 3 256.440 3.450 20 30 CGEDHN COc1ccc(C2(N[C@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000447585386 330871621 /nfs/dbraw/zinc/87/16/21/330871621.db2.gz JXHDKWZTHTZQBV-HIFRSBDPSA-N 0 3 270.376 3.356 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC000448921773 330888446 /nfs/dbraw/zinc/88/84/46/330888446.db2.gz OIUXJUAOJMSIOC-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(OCC=C)c(Cl)c1 ZINC000449701072 330944998 /nfs/dbraw/zinc/94/49/98/330944998.db2.gz VVZNQVTVJSNZJM-AWEZNQCLSA-N 0 3 295.810 3.322 20 30 CGEDHN C=CCCN1CCCN(c2ccccc2Cl)CC1 ZINC000451005102 331011418 /nfs/dbraw/zinc/01/14/18/331011418.db2.gz WZLCSEZMQRXUOY-UHFFFAOYSA-N 0 3 264.800 3.428 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000451112371 331015917 /nfs/dbraw/zinc/01/59/17/331015917.db2.gz JDRGJJONHLLWTJ-HNNXBMFYSA-N 0 3 298.430 3.415 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2ccccc2Cl)[C@@H]2CCO[C@@H]21 ZINC000451473512 331030811 /nfs/dbraw/zinc/03/08/11/331030811.db2.gz WOHQKSYAUSSAJB-IMJJTQAJSA-N 0 3 289.806 3.095 20 30 CGEDHN C=CC(C)(C)CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000453310036 331114572 /nfs/dbraw/zinc/11/45/72/331114572.db2.gz QNISARJNVMAJIW-CQSZACIVSA-N 0 3 269.335 3.454 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cc(F)ccc1F ZINC000453360498 331122437 /nfs/dbraw/zinc/12/24/37/331122437.db2.gz OIWLMKUVFRQYAN-KFWWJZLASA-N 0 3 267.319 3.349 20 30 CGEDHN C=C(CC)CN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000453366020 331123123 /nfs/dbraw/zinc/12/31/23/331123123.db2.gz OYYIMGKEEJZCKU-ZDUSSCGKSA-N 0 3 262.328 3.155 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OCC)cc1 ZINC000453365133 331123141 /nfs/dbraw/zinc/12/31/41/331123141.db2.gz QWEKKYCFICCDLB-MAZHCROVSA-N 0 3 261.365 3.079 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453376495 331124915 /nfs/dbraw/zinc/12/49/15/331124915.db2.gz XIGSYDOELWCNQQ-GDBMZVCRSA-N 0 3 299.418 3.065 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)C(C)(C)C)CC1 ZINC000458321054 331248506 /nfs/dbraw/zinc/24/85/06/331248506.db2.gz MTBRBSSWVGLDFA-UHFFFAOYSA-N 0 3 295.471 3.151 20 30 CGEDHN C[C@]1(NC(=O)C(C#N)CCc2ccccc2)CC=CCC1 ZINC000458336395 331249334 /nfs/dbraw/zinc/24/93/34/331249334.db2.gz LSUNLKYGMBFCHS-WMZOPIPTSA-N 0 3 282.387 3.374 20 30 CGEDHN N#CCCCN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459518688 331285747 /nfs/dbraw/zinc/28/57/47/331285747.db2.gz CQJMQIORTCXOTE-MRXNPFEDSA-N 0 3 272.392 3.174 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000459652236 331292261 /nfs/dbraw/zinc/29/22/61/331292261.db2.gz WEMBQNUMAUOGPC-WOVMCDHWSA-N 0 3 288.391 3.026 20 30 CGEDHN CC(C)(CC#N)CNCc1cccc(Br)c1 ZINC000459706160 331295182 /nfs/dbraw/zinc/29/51/82/331295182.db2.gz YQYAYOPQHBXVFN-UHFFFAOYSA-N 0 3 281.197 3.479 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCC[C@@H]2c2ccccc2)C1=O ZINC000459720174 331295675 /nfs/dbraw/zinc/29/56/75/331295675.db2.gz ZFDPEERSMFVARC-KURKYZTESA-N 0 3 298.430 3.041 20 30 CGEDHN CCN(CC#Cc1cccc(Cl)c1)C[C@H](C)OC ZINC000463425270 331347444 /nfs/dbraw/zinc/34/74/44/331347444.db2.gz HAAZVZMRJYBJEF-ZDUSSCGKSA-N 0 3 265.784 3.048 20 30 CGEDHN C=CCN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000464779104 331367653 /nfs/dbraw/zinc/36/76/53/331367653.db2.gz QVXRWADYPOQSIA-KRWDZBQOSA-N 0 3 259.393 3.205 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1ncc(Cl)cn1)C(C)C ZINC000479467102 331731793 /nfs/dbraw/zinc/73/17/93/331731793.db2.gz UMZHEXXKKYIGNT-AWEZNQCLSA-N 0 3 294.830 3.241 20 30 CGEDHN C=C(CC)CN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482932647 331852371 /nfs/dbraw/zinc/85/23/71/331852371.db2.gz ZMVHUEGLIRSKMT-UHFFFAOYSA-N 0 3 273.420 3.331 20 30 CGEDHN C=CCCCCCN1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000488454060 332010809 /nfs/dbraw/zinc/01/08/09/332010809.db2.gz YAACUGDYBVLVIB-IAGOWNOFSA-N 0 3 280.456 3.454 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1Cl ZINC000489469056 332054679 /nfs/dbraw/zinc/05/46/79/332054679.db2.gz CPYPHZWAVVGUEB-UONOGXRCSA-N 0 3 295.810 3.120 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490038038 332077879 /nfs/dbraw/zinc/07/78/79/332077879.db2.gz TYPIWHZDKZQIMN-CVEARBPZSA-N 0 3 297.826 3.286 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2cccc3ccsc32)CC1 ZINC000490865859 332122079 /nfs/dbraw/zinc/12/20/79/332122079.db2.gz JIEVECOBPNQNCD-UHFFFAOYSA-N 0 3 298.411 3.185 20 30 CGEDHN C#C[C@@H](CC)NC/C(C)=C\c1ccccc1COC ZINC000491125995 332153751 /nfs/dbraw/zinc/15/37/51/332153751.db2.gz JNSZDCBFFNJSTH-IFCKCIONSA-N 0 3 257.377 3.238 20 30 CGEDHN C#C[C@@H](CC)NCc1cccc(-c2cccnc2)c1 ZINC000491265153 332176651 /nfs/dbraw/zinc/17/66/51/332176651.db2.gz JWOXAHCMVZRQLW-KRWDZBQOSA-N 0 3 250.345 3.250 20 30 CGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(CC)cc2)CC1 ZINC000491546591 332235446 /nfs/dbraw/zinc/23/54/46/332235446.db2.gz LUPRQFYZOJKUFJ-MDZDMXLPSA-N 0 3 298.430 3.029 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)CC(C)(C)C)C(C)C ZINC000496014409 332536342 /nfs/dbraw/zinc/53/63/42/332536342.db2.gz OOGXHNQOHNRXST-OAHLLOKOSA-N 0 3 280.456 3.237 20 30 CGEDHN CC#CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000499217138 332582700 /nfs/dbraw/zinc/58/27/00/332582700.db2.gz UBANOHKAOIUFIA-UHFFFAOYSA-N 0 3 284.315 3.358 20 30 CGEDHN C[C@H]1CSC[C@H]1NCC#Cc1ccccc1Cl ZINC000512176051 332956255 /nfs/dbraw/zinc/95/62/55/332956255.db2.gz AVKJNAHJRFYCIM-SMDDNHRTSA-N 0 3 265.809 3.033 20 30 CGEDHN C=CCOc1ccccc1CNCCc1ncccc1C ZINC000404864125 333031104 /nfs/dbraw/zinc/03/11/04/333031104.db2.gz VAQXHGIHSMHEFS-UHFFFAOYSA-N 0 3 282.387 3.287 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000517491022 333100620 /nfs/dbraw/zinc/10/06/20/333100620.db2.gz JZJWHNGXQJTCPW-LERXQTSPSA-N 0 3 298.308 3.021 20 30 CGEDHN CC(C)C[C@H](CO)N(C)CC#Cc1cccc(Cl)c1 ZINC000185336234 333139014 /nfs/dbraw/zinc/13/90/14/333139014.db2.gz IUYFZGJKBKRYCN-MRXNPFEDSA-N 0 3 279.811 3.030 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1nc2cc(OC)ccc2n1C ZINC000186535392 333162589 /nfs/dbraw/zinc/16/25/89/333162589.db2.gz HTECCCLBPVIDDG-QWHCGFSZSA-N 0 3 287.407 3.272 20 30 CGEDHN CC1CCC(N2CCN(CC#Cc3ccccc3)CC2)CC1 ZINC000192028377 333228508 /nfs/dbraw/zinc/22/85/08/333228508.db2.gz SOJZHEHPOOLJHB-UHFFFAOYSA-N 0 3 296.458 3.234 20 30 CGEDHN C=CCCCCCN[C@@H](C)c1nnnn1-c1ccccc1 ZINC000193552519 333253022 /nfs/dbraw/zinc/25/30/22/333253022.db2.gz NCFQFURQCPBMMF-AWEZNQCLSA-N 0 3 285.395 3.059 20 30 CGEDHN CCc1ccc([C@H](NC(=O)C(C)C#N)C(C)C)cc1 ZINC000522846546 333296768 /nfs/dbraw/zinc/29/67/68/333296768.db2.gz LHILEGWOGRXZHT-IUODEOHRSA-N 0 3 258.365 3.222 20 30 CGEDHN CC[C@@H](CC#N)NC[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000230944038 333322972 /nfs/dbraw/zinc/32/29/72/333322972.db2.gz WZKSQXLHEJGRHN-KGLIPLIRSA-N 0 3 297.443 3.065 20 30 CGEDHN Cc1ccc(F)c(CNCCOc2ccc(C#N)cc2)c1 ZINC000174561426 335158920 /nfs/dbraw/zinc/15/89/20/335158920.db2.gz NLZXWCYNBVCCTD-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN CCOc1ccccc1CN(C)CCCSCC#N ZINC000074981962 334021777 /nfs/dbraw/zinc/02/17/77/334021777.db2.gz XFXNYESWNGPFPI-UHFFFAOYSA-N 0 3 278.421 3.164 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000133863083 334065535 /nfs/dbraw/zinc/06/55/35/334065535.db2.gz ACBONTGNUQBYHG-MSOLQXFVSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)c1ccccc1C ZINC000550262330 334217692 /nfs/dbraw/zinc/21/76/92/334217692.db2.gz FKLHFNKPHJRKAO-UHFFFAOYSA-N 0 3 288.435 3.244 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H](CCCO)c2ccccc2)C1 ZINC000248747908 334315557 /nfs/dbraw/zinc/31/55/57/334315557.db2.gz BKICDQNNIANIJD-HYVNUMGLSA-N 0 3 272.392 3.172 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N(CCC)CCN1CCCCC1 ZINC000553495369 334388644 /nfs/dbraw/zinc/38/86/44/334388644.db2.gz YHSVGPJRDRHQAB-QGZVFWFLSA-N 0 3 280.456 3.313 20 30 CGEDHN CCC[C@H](C)[C@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000566304716 334641747 /nfs/dbraw/zinc/64/17/47/334641747.db2.gz QJMRAIZDSCOUSA-BBRMVZONSA-N 0 3 279.811 3.078 20 30 CGEDHN CCC[C@@H](C)[C@@H](CO)NCC#Cc1ccccc1Cl ZINC000567992745 334782253 /nfs/dbraw/zinc/78/22/53/334782253.db2.gz XRYWCDAKDPVUNM-CZUORRHYSA-N 0 3 279.811 3.078 20 30 CGEDHN C[C@H](O)[C@H](NC1CCC(C)(C#N)CC1)c1ccccc1F ZINC000568034338 334786393 /nfs/dbraw/zinc/78/63/93/334786393.db2.gz PPABDLYPTPGBHG-VTPHTMIKSA-N 0 3 290.382 3.310 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000569142586 334857866 /nfs/dbraw/zinc/85/78/66/334857866.db2.gz AXXXQCMHZFZDLE-GRDNDAEWSA-N 0 3 292.423 3.427 20 30 CGEDHN C=C(Cl)CN[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000166151898 334905935 /nfs/dbraw/zinc/90/59/35/334905935.db2.gz DUEANPXFJIBJPL-NEPJUHHUSA-N 0 3 288.819 3.022 20 30 CGEDHN N#Cc1cccc(CCNCc2cnc(C3CC3)s2)c1 ZINC000577438332 335352179 /nfs/dbraw/zinc/35/21/79/335352179.db2.gz QSRYXSXAFCGRNH-UHFFFAOYSA-N 0 3 283.400 3.224 20 30 CGEDHN C[C@@H](NC(C)(C)CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000577485465 335357491 /nfs/dbraw/zinc/35/74/91/335357491.db2.gz WFLVLBVGSUBHAR-CVEARBPZSA-N 0 3 298.434 3.149 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)cs2)C12CCC2 ZINC000177705944 335380200 /nfs/dbraw/zinc/38/02/00/335380200.db2.gz KCBIZPXSGBNFRA-UONOGXRCSA-N 0 3 276.405 3.057 20 30 CGEDHN CC(C)[C@H](Cc1ccc(F)cc1)NC[C@@H](C#N)CCC#N ZINC000515832429 500579326 /nfs/dbraw/zinc/57/93/26/500579326.db2.gz VRADVSGOKICSJV-WBVHZDCISA-N 0 3 287.382 3.426 20 30 CGEDHN CC1(C)[C@@H](CNC[C@@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000567597719 500582118 /nfs/dbraw/zinc/58/21/18/500582118.db2.gz KBYJQAVCLHLYTJ-PVAVHDDUSA-N 0 3 281.403 3.459 20 30 CGEDHN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1ccc(C#N)cc1F ZINC000427965338 533881456 /nfs/dbraw/zinc/88/14/56/533881456.db2.gz MIYTUNPPEWFVPQ-AAEUAGOBSA-N 0 3 276.355 3.306 20 30 CGEDHN CS[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358555549 533923606 /nfs/dbraw/zinc/92/36/06/533923606.db2.gz AKYXABRPYMMNCW-VHSXEESVSA-N 0 3 252.358 3.099 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(CO)cc1 ZINC000425528968 534082340 /nfs/dbraw/zinc/08/23/40/534082340.db2.gz AERLVHWBZHYNQH-AWEZNQCLSA-N 0 3 280.371 3.244 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000344452051 534283504 /nfs/dbraw/zinc/28/35/04/534283504.db2.gz CKNYPGUNGWYQHK-RNCFNFMXSA-N 0 3 280.318 3.328 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000354553508 534283705 /nfs/dbraw/zinc/28/37/05/534283705.db2.gz XFMJYYBLWYUBHA-OLZOCXBDSA-N 0 3 279.343 3.085 20 30 CGEDHN Cc1noc(C)c1CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425532730 534338426 /nfs/dbraw/zinc/33/84/26/534338426.db2.gz JXFRFIYRIMPPOE-CYBMUJFWSA-N 0 3 283.375 3.399 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000155961346 523527200 /nfs/dbraw/zinc/52/72/00/523527200.db2.gz AAVXKOXRYRCKBZ-HUUCEWRRSA-N 0 3 270.376 3.189 20 30 CGEDHN N#CC(C(=O)c1ccccc1OC1CC1)c1ccccn1 ZINC000347762366 534741148 /nfs/dbraw/zinc/74/11/48/534741148.db2.gz WUFTWXJQEJSFGP-AWEZNQCLSA-N 0 3 278.311 3.113 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc(NC(C)=O)c1 ZINC000352719815 526327338 /nfs/dbraw/zinc/32/73/38/526327338.db2.gz JDOUZQPPLKNPRC-UHFFFAOYSA-N 0 3 298.386 3.469 20 30 CGEDHN C=CCOCCCN(Cc1cccc(F)c1)C1CC1 ZINC000347963471 526748888 /nfs/dbraw/zinc/74/88/88/526748888.db2.gz JQUTUBDXBBCXDP-UHFFFAOYSA-N 0 3 263.356 3.383 20 30 CGEDHN C=CCOCCCN[C@](C)(CC)c1nc(C)cs1 ZINC000348057876 526761396 /nfs/dbraw/zinc/76/13/96/526761396.db2.gz UODJPYJETBSGNL-CQSZACIVSA-N 0 3 268.426 3.259 20 30 CGEDHN C=C(C)[C@H](N[C@H]1CN(C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480693039 526821426 /nfs/dbraw/zinc/82/14/26/526821426.db2.gz BMICZBUTZSYSHH-RLCCDNCMSA-N 0 3 280.362 3.122 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000108710608 526932860 /nfs/dbraw/zinc/93/28/60/526932860.db2.gz OSNFPEZOHUCTMT-UHFFFAOYSA-N 0 3 298.430 3.268 20 30 CGEDHN C=CCSCCNCc1cccc(OCC)c1 ZINC000105462360 527002651 /nfs/dbraw/zinc/00/26/51/527002651.db2.gz CLVVTPMQRLPXCA-UHFFFAOYSA-N 0 3 251.395 3.094 20 30 CGEDHN C=CCCCN[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000344588432 527235911 /nfs/dbraw/zinc/23/59/11/527235911.db2.gz IHAAYCBSGKFAIY-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000353579838 527443753 /nfs/dbraw/zinc/44/37/53/527443753.db2.gz VODVOKSVJOMAIS-SKDRFNHKSA-N 0 3 294.445 3.378 20 30 CGEDHN CC(C)[C@H]1C[C@@H](NC(=O)C(C)C#N)c2ccccc21 ZINC000344984440 527871519 /nfs/dbraw/zinc/87/15/19/527871519.db2.gz QVSPSOCIRDGZHO-KCPJHIHWSA-N 0 3 256.349 3.147 20 30 CGEDHN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C(C)C#N ZINC000347750123 529030427 /nfs/dbraw/zinc/03/04/27/529030427.db2.gz GMVORZCTMFFHRX-WFASDCNBSA-N 0 3 276.355 3.011 20 30 CGEDHN CC[C@@H](NCCCC#N)c1ccc(OC)c(OC)c1 ZINC000352247220 529160145 /nfs/dbraw/zinc/16/01/45/529160145.db2.gz XDDNPQJNDYUBDZ-CYBMUJFWSA-N 0 3 262.353 3.048 20 30 CGEDHN CCCN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000128774227 534933060 /nfs/dbraw/zinc/93/30/60/534933060.db2.gz YYBKMBLTEYAUBC-UHFFFAOYSA-N 0 3 297.324 3.109 20 30 CGEDHN COc1ccc(Cl)cc1CNCCCCC#N ZINC000728777079 571820005 /nfs/dbraw/zinc/82/00/05/571820005.db2.gz YINVQXYNEJLISR-UHFFFAOYSA-N 0 3 252.745 3.132 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CCCC[C@H]1O ZINC000352948577 571957676 /nfs/dbraw/zinc/95/76/76/571957676.db2.gz JVESLWVCSUSCCM-IAGOWNOFSA-N 0 3 291.439 3.146 20 30 CGEDHN CS[C@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422090 572352652 /nfs/dbraw/zinc/35/26/52/572352652.db2.gz TXDGNHWFSLGQCZ-APPZFPTMSA-N 0 3 294.376 3.363 20 30 CGEDHN C[C@H]1CC(N=Nc2ncc(Cl)cc2Cl)CCN1C ZINC000741458743 572499913 /nfs/dbraw/zinc/49/99/13/572499913.db2.gz XVOJZZSSECFMBN-QMMMGPOBSA-N 0 3 287.194 3.270 20 30 CGEDHN C#CCOc1ccc(CNCCOc2ccc(F)cc2)cc1 ZINC000733322924 572555533 /nfs/dbraw/zinc/55/55/33/572555533.db2.gz XIMZRWSJRUEMKH-UHFFFAOYSA-N 0 3 299.345 3.006 20 30 CGEDHN COc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1C ZINC000742369252 572568391 /nfs/dbraw/zinc/56/83/91/572568391.db2.gz ZTDBEVAVVQZNLW-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C[C@@H](CC#N)OC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000733708248 572598040 /nfs/dbraw/zinc/59/80/40/572598040.db2.gz QKIINZCBRYZFPK-AWEZNQCLSA-N 0 3 286.375 3.131 20 30 CGEDHN CCCN(CC)Cc1cc(Cl)ccc1OCC#N ZINC000735310298 572714116 /nfs/dbraw/zinc/71/41/16/572714116.db2.gz XQLFNIFTERPYTC-UHFFFAOYSA-N 0 3 266.772 3.474 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccco2)c1 ZINC000744027837 572698238 /nfs/dbraw/zinc/69/82/38/572698238.db2.gz BEQWDZBOKQZQIB-GXTWGEPZSA-N 0 3 296.326 3.039 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=CC2CCCCC2)nc(C)n1 ZINC000735592607 572731397 /nfs/dbraw/zinc/73/13/97/572731397.db2.gz BZBJEUUNGCGZJQ-HVHJFMEUSA-N 0 3 283.375 3.406 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H](C)C3CC3)nc21 ZINC000735788842 572740212 /nfs/dbraw/zinc/74/02/12/572740212.db2.gz HYSTYAJWAWNJDG-WCQYABFASA-N 0 3 281.359 3.484 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@H](C)C3CC3)[nH]c21 ZINC000735788842 572740217 /nfs/dbraw/zinc/74/02/17/572740217.db2.gz HYSTYAJWAWNJDG-WCQYABFASA-N 0 3 281.359 3.484 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CCCC3)nc21 ZINC000735790090 572740374 /nfs/dbraw/zinc/74/03/74/572740374.db2.gz TXWVAUFKKVITNY-LBPRGKRZSA-N 0 3 267.332 3.238 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C3CCCC3)[nH]c21 ZINC000735790090 572740377 /nfs/dbraw/zinc/74/03/77/572740377.db2.gz TXWVAUFKKVITNY-LBPRGKRZSA-N 0 3 267.332 3.238 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)C(C)C)nc21 ZINC000735789257 572740639 /nfs/dbraw/zinc/74/06/39/572740639.db2.gz LCBFPGJOXGFIGF-RYUDHWBXSA-N 0 3 269.348 3.340 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)C(C)C)[nH]c21 ZINC000735789257 572740643 /nfs/dbraw/zinc/74/06/43/572740643.db2.gz LCBFPGJOXGFIGF-RYUDHWBXSA-N 0 3 269.348 3.340 20 30 CGEDHN C(#Cc1ccccc1)CNCc1ccc(-n2ccnc2)cc1 ZINC000736355126 572783887 /nfs/dbraw/zinc/78/38/87/572783887.db2.gz DQVKFYACJKPLFP-UHFFFAOYSA-N 0 3 287.366 3.014 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000736673178 572804594 /nfs/dbraw/zinc/80/45/94/572804594.db2.gz TUTADDWJMSJKGY-LBPRGKRZSA-N 0 3 281.359 3.034 20 30 CGEDHN C#CCN(Cc1ccc(OCC)cc1)C1CCCC1 ZINC000746156811 572857943 /nfs/dbraw/zinc/85/79/43/572857943.db2.gz FXDNVOZBRZDMPA-UHFFFAOYSA-N 0 3 257.377 3.463 20 30 CGEDHN CCN(C/C=C(/C)C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000746503492 572875401 /nfs/dbraw/zinc/87/54/01/572875401.db2.gz SHMYMHBGIJNIST-ZVHGMHCTSA-N 0 3 286.375 3.060 20 30 CGEDHN C[C@@H]1CN(C)CC1N=Nc1ccc(C(F)(F)F)cc1 ZINC000746578487 572882117 /nfs/dbraw/zinc/88/21/17/572882117.db2.gz NPALRDLTEURBDF-SECBINFHSA-N 0 3 271.286 3.055 20 30 CGEDHN N=C(N)N=NC1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000747624614 572937368 /nfs/dbraw/zinc/93/73/68/572937368.db2.gz OSQIVXSTNFYEDU-NSHDSACASA-N 0 3 298.312 3.202 20 30 CGEDHN C1CCC(NN=C2CCCC[C@@H]2N2CCCCC2)C1 ZINC000748788048 572984015 /nfs/dbraw/zinc/98/40/15/572984015.db2.gz LKXYVISCELHZNM-INIZCTEOSA-N 0 3 263.429 3.303 20 30 CGEDHN CCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000750687942 573160241 /nfs/dbraw/zinc/16/02/41/573160241.db2.gz CKRUJYOUHKBJJD-SNVBAGLBSA-N 0 3 254.289 3.194 20 30 CGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC000968998434 613307323 /nfs/dbraw/zinc/30/73/23/613307323.db2.gz WECLEIMLTCLQHQ-HNNXBMFYSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963245451 613374297 /nfs/dbraw/zinc/37/42/97/613374297.db2.gz XWABZJAGGUOISP-LSDHHAIUSA-N 0 3 298.858 3.242 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC000971694333 613610773 /nfs/dbraw/zinc/61/07/73/613610773.db2.gz ZDAAMTRCTQOVQO-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC000980316544 613611621 /nfs/dbraw/zinc/61/16/21/613611621.db2.gz KCPNWEKWNAHTOH-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC000968991507 613683190 /nfs/dbraw/zinc/68/31/90/613683190.db2.gz ZOKXBOQJJGJQRW-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3occc3c2)C[C@H]1C ZINC000947334760 613753399 /nfs/dbraw/zinc/75/33/99/613753399.db2.gz RRMQTXNUINXJOF-CZUORRHYSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2sc(C)cc2C)C[C@H]1C ZINC000947352524 613762807 /nfs/dbraw/zinc/76/28/07/613762807.db2.gz MEGDEUGEEYKMFT-TZMCWYRMSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000940619901 613781023 /nfs/dbraw/zinc/78/10/23/613781023.db2.gz CQZVCEFJGCODOF-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2Cl)[C@H](C)C1 ZINC000943332983 613794261 /nfs/dbraw/zinc/79/42/61/613794261.db2.gz GTHLWVVVLVMFOA-PWSUYJOCSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](O)c1ccccc1 ZINC000034991795 617612033 /nfs/dbraw/zinc/61/20/33/617612033.db2.gz NVHQJZUEKGWAPZ-KRWDZBQOSA-N 0 3 283.371 3.075 20 30 CGEDHN C#CCC1(NCc2c(C)nn(C)c2Cl)CCCCC1 ZINC000933269208 618179708 /nfs/dbraw/zinc/17/97/08/618179708.db2.gz JYMNMIGCEMXHNK-UHFFFAOYSA-N 0 3 279.815 3.198 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001022105591 618224630 /nfs/dbraw/zinc/22/46/30/618224630.db2.gz KXJMQRDJWYDVNM-IGQOVBAYSA-N 0 3 298.858 3.048 20 30 CGEDHN CCN(C[C@H](C)C#N)CC1(CCCOC)CCC1 ZINC000891716296 618256428 /nfs/dbraw/zinc/25/64/28/618256428.db2.gz NOVATAYKCHFORS-CQSZACIVSA-N 0 3 252.402 3.065 20 30 CGEDHN C#CCCCCCCn1cc(CNC2CCCCC2)nn1 ZINC000900643074 620803259 /nfs/dbraw/zinc/80/32/59/620803259.db2.gz MCCWUYGMFXSSLY-UHFFFAOYSA-N 0 3 288.439 3.284 20 30 CGEDHN CCCO[C@@H]1CCCN(Cc2csc(C#N)c2)CC1 ZINC000892008814 618485884 /nfs/dbraw/zinc/48/58/84/618485884.db2.gz WTGDQZBSLKHDRZ-CQSZACIVSA-N 0 3 278.421 3.401 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCOCC1 ZINC000179386511 618780726 /nfs/dbraw/zinc/78/07/26/618780726.db2.gz FCFIFDKNAAWEBY-WCQYABFASA-N 0 3 298.342 3.067 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000119322064 618977010 /nfs/dbraw/zinc/97/70/10/618977010.db2.gz MKZOUXRVRSFICL-QWHCGFSZSA-N 0 3 294.826 3.402 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](Cc3ccncc3)C2)cs1 ZINC000893502930 619195225 /nfs/dbraw/zinc/19/52/25/619195225.db2.gz WWRNYMGIYXCWEU-AWEZNQCLSA-N 0 3 283.400 3.079 20 30 CGEDHN CSC[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000067001871 619272347 /nfs/dbraw/zinc/27/23/47/619272347.db2.gz OKGLUPWYYBXBNY-VHSXEESVSA-N 0 3 274.345 3.003 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC2(C3CCC3)CC2)c1 ZINC000877612122 619413137 /nfs/dbraw/zinc/41/31/37/619413137.db2.gz CUUBRZZPCCKZKI-UHFFFAOYSA-N 0 3 261.756 3.029 20 30 CGEDHN C=CCN(C)Cc1cn(CC)nc1-c1ccccc1 ZINC000894495559 619555905 /nfs/dbraw/zinc/55/59/05/619555905.db2.gz PGKHBJZPRHHNRQ-UHFFFAOYSA-N 0 3 255.365 3.188 20 30 CGEDHN N#Cc1csc(CN2CC[C@H](c3nccs3)C2)c1 ZINC000895580608 619855651 /nfs/dbraw/zinc/85/56/51/619855651.db2.gz HUIXEAAVMXWJGU-NSHDSACASA-N 0 3 275.402 3.066 20 30 CGEDHN C=CCC1(O)CCN(CCc2cccc(Cl)c2)CC1 ZINC000895834246 619894843 /nfs/dbraw/zinc/89/48/43/619894843.db2.gz INUBXPLQTYMTDU-UHFFFAOYSA-N 0 3 279.811 3.286 20 30 CGEDHN C=CCC1(O)CCN(Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000895833703 619895026 /nfs/dbraw/zinc/89/50/26/619895026.db2.gz CYZUVFUILGJGQV-UHFFFAOYSA-N 0 3 284.403 3.379 20 30 CGEDHN N#Cc1csc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000896234020 619972195 /nfs/dbraw/zinc/97/21/95/619972195.db2.gz YWNNYHYUZGKXSI-DOTOQJQBSA-N 0 3 280.396 3.393 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cc(C(F)(F)F)n(C)n2)C1 ZINC000898020696 620467473 /nfs/dbraw/zinc/46/74/73/620467473.db2.gz FIYMJCLSNUJZQR-GHMZBOCLSA-N 0 3 287.329 3.273 20 30 CGEDHN CC[C@@H](NCc1ccc(OC)nc1)c1cccc(C#N)c1 ZINC000902735546 621419214 /nfs/dbraw/zinc/41/92/14/621419214.db2.gz FUJYOEZAQLUNSZ-MRXNPFEDSA-N 0 3 281.359 3.203 20 30 CGEDHN C[C@@H](NC[C@H](C)N(C)c1ccccc1)c1cc(C#N)ccn1 ZINC000902746808 621423587 /nfs/dbraw/zinc/42/35/87/621423587.db2.gz OTWKKLZSRNDNJU-LSDHHAIUSA-N 0 3 294.402 3.129 20 30 CGEDHN C[C@H](NCCCNc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902952224 621504116 /nfs/dbraw/zinc/50/41/16/621504116.db2.gz VPQCOLYTSHZTDS-ZDUSSCGKSA-N 0 3 298.365 3.245 20 30 CGEDHN COC[C@@H](CC(C)(C)C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903043638 621541149 /nfs/dbraw/zinc/54/11/49/621541149.db2.gz DWNCRSPJIGRJAV-GXTWGEPZSA-N 0 3 275.396 3.055 20 30 CGEDHN CCC(O)(CC)C(C)(C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000903047153 621555232 /nfs/dbraw/zinc/55/52/32/621555232.db2.gz IEWXYNOKGMOECX-ZDUSSCGKSA-N 0 3 289.423 3.181 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CC[C@@H](C(=O)OC)C1)c1ccco1 ZINC000903128520 621591464 /nfs/dbraw/zinc/59/14/64/621591464.db2.gz AOHIYOHWRIEEGU-HZSPNIEDSA-N 0 3 277.364 3.218 20 30 CGEDHN CC[C@@H](NCc1cc(N(C)C)ccn1)c1cccc(C#N)c1 ZINC000903197540 621623145 /nfs/dbraw/zinc/62/31/45/621623145.db2.gz QKCVZLCTYXSVGI-GOSISDBHSA-N 0 3 294.402 3.260 20 30 CGEDHN C=CCC[C@@H](NCc1cn(C)nc1Br)C1CC1 ZINC000903187368 621626950 /nfs/dbraw/zinc/62/69/50/621626950.db2.gz BNHMDNRQOSNDTE-GFCCVEGCSA-N 0 3 298.228 3.017 20 30 CGEDHN C=CCC[C@H](CC)NCc1cn(C)nc1Br ZINC000903188546 621627394 /nfs/dbraw/zinc/62/73/94/621627394.db2.gz FPXYAKPKVJUTEP-NSHDSACASA-N 0 3 286.217 3.017 20 30 CGEDHN CCC[C@H](C)[C@H](CC)NCc1nc(C#N)cs1 ZINC000903262231 621647761 /nfs/dbraw/zinc/64/77/61/621647761.db2.gz BNCFCXHGEPSVGV-JQWIXIFHSA-N 0 3 251.399 3.319 20 30 CGEDHN CC[C@H](CCC(F)(F)F)NCc1nc(C#N)cs1 ZINC000903263544 621648788 /nfs/dbraw/zinc/64/87/88/621648788.db2.gz NWCUQHWHCOGNSJ-MRVPVSSYSA-N 0 3 277.315 3.225 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccco1 ZINC000903288378 621671263 /nfs/dbraw/zinc/67/12/63/621671263.db2.gz WXEMRWQOOAKETB-GNIGRLLJSA-N 0 3 259.349 3.052 20 30 CGEDHN COC(C)(C)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000903332074 621706312 /nfs/dbraw/zinc/70/63/12/621706312.db2.gz PPXCSQKPNPUPAR-GHMZBOCLSA-N 0 3 264.344 3.161 20 30 CGEDHN C=CCC(C)(C)c1noc(-c2ccc3n2CCN[C@H]3C)n1 ZINC000904723938 621957794 /nfs/dbraw/zinc/95/77/94/621957794.db2.gz IKIIZOYLSBSZHH-NSHDSACASA-N 0 3 286.379 3.056 20 30 CGEDHN N#Cc1ccc(-c2ccc(F)c(CNC3CC3)c2)c(CO)c1 ZINC000904797166 621993878 /nfs/dbraw/zinc/99/38/78/621993878.db2.gz UKPBPBHTDWHIAD-UHFFFAOYSA-N 0 3 296.345 3.109 20 30 CGEDHN CC(C)COc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905085047 622033699 /nfs/dbraw/zinc/03/36/99/622033699.db2.gz LRLGPGAUTZGRSB-QENILXLESA-N 0 3 297.358 3.154 20 30 CGEDHN CC(C)COc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905085048 622033871 /nfs/dbraw/zinc/03/38/71/622033871.db2.gz LRLGPGAUTZGRSB-UGMNDJHYSA-N 0 3 297.358 3.154 20 30 CGEDHN CCCCOc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905084706 622033893 /nfs/dbraw/zinc/03/38/93/622033893.db2.gz KRBCLVFTPFCRKA-HLVNSREUSA-N 0 3 297.358 3.298 20 30 CGEDHN CCC1(c2ccccc2)CN(C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000905955613 622132678 /nfs/dbraw/zinc/13/26/78/622132678.db2.gz IWTPORFLFKNGPM-KRWDZBQOSA-N 0 3 298.430 3.095 20 30 CGEDHN C#CCN(C(=O)[C@H](CCC)CC(C)C)C1CCN(C)CC1 ZINC000906451549 622237958 /nfs/dbraw/zinc/23/79/58/622237958.db2.gz HRIZERNDFORHDH-MRXNPFEDSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000912039760 622588635 /nfs/dbraw/zinc/58/86/35/622588635.db2.gz HDLFOHKWAPNCPH-ZIAGYGMSSA-N 0 3 290.432 3.023 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000912067258 622591721 /nfs/dbraw/zinc/59/17/21/622591721.db2.gz DTLZDDMPRTXZPJ-LLVKDONJSA-N 0 3 286.828 3.044 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000912172948 622615878 /nfs/dbraw/zinc/61/58/78/622615878.db2.gz YLAZFNLIQQSCHO-JKSUJKDBSA-N 0 3 272.392 3.034 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000912395228 622645193 /nfs/dbraw/zinc/64/51/93/622645193.db2.gz NAITYVWRHDQWKS-ZIAGYGMSSA-N 0 3 278.421 3.095 20 30 CGEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080456746 622851493 /nfs/dbraw/zinc/85/14/93/622851493.db2.gz RHQPVAPOPBZIAO-DTWKUNHWSA-N 0 3 268.407 3.194 20 30 CGEDHN N#CC(C(=O)C=Cc1cccs1)c1ccccn1 ZINC000046439287 622970413 /nfs/dbraw/zinc/97/04/13/622970413.db2.gz VFUOAICPZLKSFJ-SYTKJHMZSA-N 0 3 254.314 3.033 20 30 CGEDHN C=CCN1CCC(NC(=O)C2CCCCCCC2)CC1 ZINC000172908764 623290949 /nfs/dbraw/zinc/29/09/49/623290949.db2.gz RPNHUOBGCRARJN-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN CCN(Cc1cc(Cl)cc(C#N)c1)C[C@H]1CCCO1 ZINC000929417527 623370981 /nfs/dbraw/zinc/37/09/81/623370981.db2.gz AJVWJYVEFCPBHW-OAHLLOKOSA-N 0 3 278.783 3.213 20 30 CGEDHN N#Cc1cncc(CN(CCc2cccc(F)c2)C2CC2)c1 ZINC000929644539 623493241 /nfs/dbraw/zinc/49/32/41/623493241.db2.gz SLTUZEOVSDYBPG-UHFFFAOYSA-N 0 3 295.361 3.299 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)cc3C)CCC[C@@H]12 ZINC000992486522 623596371 /nfs/dbraw/zinc/59/63/71/623596371.db2.gz HEMBXLQWQCEKJL-MJGOQNOKSA-N 0 3 298.430 3.216 20 30 CGEDHN C=CC[N@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)C(C)C ZINC000917166710 624248586 /nfs/dbraw/zinc/24/85/86/624248586.db2.gz BFOQKWBKGBNOCZ-UHFFFAOYSA-N 0 3 287.359 3.203 20 30 CGEDHN C=CC[N@@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)C(C)C ZINC000917166710 624248590 /nfs/dbraw/zinc/24/85/90/624248590.db2.gz BFOQKWBKGBNOCZ-UHFFFAOYSA-N 0 3 287.359 3.203 20 30 CGEDHN C#CCCN(Cc1ccco1)Cc1ccccc1O ZINC000920416176 624491131 /nfs/dbraw/zinc/49/11/31/624491131.db2.gz SYZXFTHAKBLESI-UHFFFAOYSA-N 0 3 255.317 3.011 20 30 CGEDHN C#CCOc1ccccc1CNCCOc1ccccc1C ZINC000237566743 624658966 /nfs/dbraw/zinc/65/89/66/624658966.db2.gz SOGSBJKMPDFPLJ-UHFFFAOYSA-N 0 3 295.382 3.176 20 30 CGEDHN CN(CCC#N)c1ccc(CNCc2cccc(F)c2)cc1 ZINC000073650998 625863424 /nfs/dbraw/zinc/86/34/24/625863424.db2.gz MWVXKHJXOBSNML-UHFFFAOYSA-N 0 3 297.377 3.465 20 30 CGEDHN Cc1cccc(O[C@H](C)CNCc2csc(C#N)c2)c1 ZINC000921787073 625875109 /nfs/dbraw/zinc/87/51/09/625875109.db2.gz HVPWCMSSLNHILY-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN Cc1ccccc1O[C@H](C)CNCc1csc(C#N)c1 ZINC000921790673 625876203 /nfs/dbraw/zinc/87/62/03/625876203.db2.gz MICYQFAZGBOYAS-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN N#Cc1cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cs1 ZINC000921961886 625946079 /nfs/dbraw/zinc/94/60/79/625946079.db2.gz XGSUFMZICYBAKO-DOTOQJQBSA-N 0 3 298.411 3.487 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2csc(C#N)c2)C1 ZINC000922224757 625985411 /nfs/dbraw/zinc/98/54/11/625985411.db2.gz SNEDYPLZPNEWEM-HAQNSBGRSA-N 0 3 264.394 3.055 20 30 CGEDHN C=CCCSCCNCc1cc(C)cnc1Cl ZINC000922239016 625987959 /nfs/dbraw/zinc/98/79/59/625987959.db2.gz MIKZRPZMFKVREA-UHFFFAOYSA-N 0 3 270.829 3.442 20 30 CGEDHN C=CCCC(C)(C)NCc1csc(-c2ccn(C)n2)n1 ZINC000922267104 625991788 /nfs/dbraw/zinc/99/17/88/625991788.db2.gz FSHCPYUVXNPCJH-UHFFFAOYSA-N 0 3 290.436 3.378 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(C3CC3)s2)CC1 ZINC001003966075 625999679 /nfs/dbraw/zinc/99/96/79/625999679.db2.gz WMVWBPATGRCWFP-UHFFFAOYSA-N 0 3 290.432 3.006 20 30 CGEDHN Cc1csc(CNC(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000922598933 626017982 /nfs/dbraw/zinc/01/79/82/626017982.db2.gz CGEUUVUHWDVEAV-UHFFFAOYSA-N 0 3 285.416 3.434 20 30 CGEDHN N#Cc1cc(CNC[C@H]2CCCC3(CCC3)O2)cs1 ZINC000922811717 626047939 /nfs/dbraw/zinc/04/79/39/626047939.db2.gz LTZMLTHHLMDAHJ-CYBMUJFWSA-N 0 3 276.405 3.201 20 30 CGEDHN C=C(Cl)CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000839519636 626356318 /nfs/dbraw/zinc/35/63/18/626356318.db2.gz OKKLENVQUZXESJ-AWEZNQCLSA-N 0 3 290.835 3.268 20 30 CGEDHN CCc1ccccc1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000753956978 626470015 /nfs/dbraw/zinc/47/00/15/626470015.db2.gz YYRUZBWTRDYWJW-LBPRGKRZSA-N 0 3 257.381 3.274 20 30 CGEDHN CC(C)N1CC(N=Nc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000754257832 626565300 /nfs/dbraw/zinc/56/53/00/626565300.db2.gz FHHGEIPYZFEADQ-VIFPVBQESA-N 0 3 285.313 3.232 20 30 CGEDHN CC(=O)CCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000755752066 626642410 /nfs/dbraw/zinc/64/24/10/626642410.db2.gz VEKRRTJENIUQQR-GFCCVEGCSA-N 0 3 298.342 3.399 20 30 CGEDHN C#CCN(Cc1ccc(OCC)cn1)C1CCCCC1 ZINC000755910027 626659131 /nfs/dbraw/zinc/65/91/31/626659131.db2.gz CYZVCLDOIUFSTC-UHFFFAOYSA-N 0 3 272.392 3.248 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCCCO3)nc21 ZINC000756289760 626689722 /nfs/dbraw/zinc/68/97/22/626689722.db2.gz IVDAMDLTVZLDOX-OLZOCXBDSA-N 0 3 297.358 3.007 20 30 CGEDHN C=CC[C@H](N[C@H]1CCCc2c1cnn2C)c1ccncc1 ZINC000766019350 627287466 /nfs/dbraw/zinc/28/74/66/627287466.db2.gz MAHBZIAXCJSQAX-HOTGVXAUSA-N 0 3 282.391 3.100 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000766572237 627344628 /nfs/dbraw/zinc/34/46/28/627344628.db2.gz OFKUOFCXSRJKNC-QWHCGFSZSA-N 0 3 255.365 3.406 20 30 CGEDHN N#CC(C(=O)CCC(=O)c1cccc(F)c1)c1ccccn1 ZINC000767431059 627407964 /nfs/dbraw/zinc/40/79/64/627407964.db2.gz BBYCRJBYTIMHIH-AWEZNQCLSA-N 0 3 296.301 3.060 20 30 CGEDHN Cc1cc(CNCc2ccc(C#N)cc2)ccc1C#N ZINC000767682504 627427997 /nfs/dbraw/zinc/42/79/97/627427997.db2.gz SDGKAJYSCODKHM-UHFFFAOYSA-N 0 3 261.328 3.028 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000767991447 627448699 /nfs/dbraw/zinc/44/86/99/627448699.db2.gz VQRRBKDFRMPIOO-RDJZCZTQSA-N 0 3 287.403 3.406 20 30 CGEDHN CC#CCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000768012947 627449754 /nfs/dbraw/zinc/44/97/54/627449754.db2.gz MZXOFXJVVADGSA-SFHVURJKSA-N 0 3 299.414 3.388 20 30 CGEDHN C#CCN(Cc1ccc(COC)o1)C1CCCCC1 ZINC000769146261 627525195 /nfs/dbraw/zinc/52/51/95/627525195.db2.gz QGWPUWBEAVGQMY-UHFFFAOYSA-N 0 3 261.365 3.194 20 30 CGEDHN C#CCCOc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000769446329 627552703 /nfs/dbraw/zinc/55/27/03/627552703.db2.gz NIKLGRPXPAQVRW-GJZGRUSLSA-N 0 3 289.444 3.415 20 30 CGEDHN C#CCOc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1 ZINC000769447834 627553740 /nfs/dbraw/zinc/55/37/40/627553740.db2.gz YBQHPDRRSAGJPY-UONOGXRCSA-N 0 3 275.417 3.024 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000769977304 627594304 /nfs/dbraw/zinc/59/43/04/627594304.db2.gz FOHKGBCAODQGAI-OAHLLOKOSA-N 0 3 289.382 3.455 20 30 CGEDHN C#CCN(CCC(=O)c1ccc(F)cc1)C1CCCC1 ZINC000777598866 628287638 /nfs/dbraw/zinc/28/76/38/628287638.db2.gz CDGBBIHHFGDWKO-UHFFFAOYSA-N 0 3 273.351 3.276 20 30 CGEDHN COC[C@H](C)NN=C(C)c1ccc(N2CCCCC2)cc1 ZINC000777892819 628308097 /nfs/dbraw/zinc/30/80/97/628308097.db2.gz CWJCEWYPNQLNOX-AWEZNQCLSA-N 0 3 289.423 3.025 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)CC=C ZINC000778169577 628331274 /nfs/dbraw/zinc/33/12/74/628331274.db2.gz ZKNZZNKJRHOWNP-LBPRGKRZSA-N 0 3 263.768 3.406 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC1CC(C)C1 ZINC000778177174 628331957 /nfs/dbraw/zinc/33/19/57/628331957.db2.gz PTDQTUFGFUVCCK-UHFFFAOYSA-N 0 3 263.768 3.240 20 30 CGEDHN CCCCCCCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000781384663 628557694 /nfs/dbraw/zinc/55/76/94/628557694.db2.gz TXUVSRXRCZSNPJ-HNNXBMFYSA-N 0 3 295.471 3.297 20 30 CGEDHN C#CCCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000783436522 628711849 /nfs/dbraw/zinc/71/18/49/628711849.db2.gz CMWFLAZXTILAIN-SFHVURJKSA-N 0 3 299.414 3.388 20 30 CGEDHN CC(C)[C@H](F)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000784485969 628815968 /nfs/dbraw/zinc/81/59/68/628815968.db2.gz JPZDEXDDUVYXRA-WFASDCNBSA-N 0 3 270.307 3.405 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H](O)c1ccc(F)cc1C ZINC000785998673 628906848 /nfs/dbraw/zinc/90/68/48/628906848.db2.gz KFGQWAZICSGBFD-GOEBONIOSA-N 0 3 263.356 3.208 20 30 CGEDHN N#CC1(COC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000805919266 629196550 /nfs/dbraw/zinc/19/65/50/629196550.db2.gz HSYLIGGBBPWYSS-UHFFFAOYSA-N 0 3 298.386 3.133 20 30 CGEDHN CCCCCCCCCN1CCN2C(=O)CC[C@@H]2C1 ZINC000792268152 629353420 /nfs/dbraw/zinc/35/34/20/629353420.db2.gz JLIVYEYTXSFXIL-OAHLLOKOSA-N 0 3 266.429 3.044 20 30 CGEDHN CCn1ccc(CN(C)Cc2ccc(OCC#N)cc2)c1 ZINC000792314432 629355946 /nfs/dbraw/zinc/35/59/46/629355946.db2.gz UKPNRRFZGRTUNT-UHFFFAOYSA-N 0 3 283.375 3.042 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000862447879 629380898 /nfs/dbraw/zinc/38/08/98/629380898.db2.gz RVHFXKGAZLHJIJ-GFCCVEGCSA-N 0 3 293.794 3.290 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccnc(C(F)(F)F)c2)CN1C1CC1 ZINC000863181991 629489846 /nfs/dbraw/zinc/48/98/46/629489846.db2.gz VKVDESOPESCZPT-SECBINFHSA-N 0 3 298.312 3.125 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCCO1 ZINC000795816850 629718682 /nfs/dbraw/zinc/71/86/82/629718682.db2.gz IPWRERTZCHNYSR-OTWHNJEPSA-N 0 3 294.398 3.096 20 30 CGEDHN C#CCN(CC[C@@H]1CCCCO1)Cc1ccccc1 ZINC000796639332 629809167 /nfs/dbraw/zinc/80/91/67/629809167.db2.gz AUWYBEYGNMKCGY-KRWDZBQOSA-N 0 3 257.377 3.081 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000864346136 629815120 /nfs/dbraw/zinc/81/51/20/629815120.db2.gz ONBVKJROMNEKAN-PACYTGELSA-N 0 3 292.810 3.481 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000864346136 629815123 /nfs/dbraw/zinc/81/51/23/629815123.db2.gz ONBVKJROMNEKAN-PACYTGELSA-N 0 3 292.810 3.481 20 30 CGEDHN CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(C)cc1[O-] ZINC000797586228 629963925 /nfs/dbraw/zinc/96/39/25/629963925.db2.gz AMAVCMKNGHMXLI-AWEZNQCLSA-N 0 3 258.365 3.435 20 30 CGEDHN C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)c2c1c(F)ccc2[O-] ZINC000797586929 629964327 /nfs/dbraw/zinc/96/43/27/629964327.db2.gz NNZYEDHHUDFCRO-ZYHUDNBSSA-N 0 3 274.339 3.363 20 30 CGEDHN C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)c2c1c(F)ccc2[O-] ZINC000797586928 629964688 /nfs/dbraw/zinc/96/46/88/629964688.db2.gz NNZYEDHHUDFCRO-PWSUYJOCSA-N 0 3 274.339 3.363 20 30 CGEDHN COc1ccccc1CON=Cc1c(C)cc(N)cc1C ZINC000799117681 630146363 /nfs/dbraw/zinc/14/63/63/630146363.db2.gz OSKRITRUCMDZMJ-UHFFFAOYSA-N 0 3 284.359 3.445 20 30 CGEDHN C#CCCCCNCc1c(Cl)cncc1Cl ZINC000865491036 630151854 /nfs/dbraw/zinc/15/18/54/630151854.db2.gz JYDISNNBANUTRN-UHFFFAOYSA-N 0 3 257.164 3.282 20 30 CGEDHN CCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)c([O-])c1 ZINC000799343389 630172532 /nfs/dbraw/zinc/17/25/32/630172532.db2.gz FUTXFFPAYKTCIR-UHFFFAOYSA-N 0 3 288.391 3.210 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3c[nH]nc3c2)cc1Cl ZINC000800896008 630309751 /nfs/dbraw/zinc/30/97/51/630309751.db2.gz SWMGKYODYGIYHN-UHFFFAOYSA-N 0 3 296.761 3.378 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573786 630345237 /nfs/dbraw/zinc/34/52/37/630345237.db2.gz HWYHJHSOWKNWNR-WMLDXEAASA-N 0 3 294.439 3.025 20 30 CGEDHN C#CCCCCC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000807680338 630596996 /nfs/dbraw/zinc/59/69/96/630596996.db2.gz PCEUSZGUUDIWND-HUUCEWRRSA-N 0 3 290.407 3.019 20 30 CGEDHN C=CCCCCCCNCc1cn(-c2ccccc2)nn1 ZINC000808419116 630643019 /nfs/dbraw/zinc/64/30/19/630643019.db2.gz LQLMKZOVSPZLSY-UHFFFAOYSA-N 0 3 284.407 3.493 20 30 CGEDHN C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808710237 630668550 /nfs/dbraw/zinc/66/85/50/630668550.db2.gz NOZRPQNUIIADRK-NWDGAFQWSA-N 0 3 283.799 3.189 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000809618359 630763174 /nfs/dbraw/zinc/76/31/74/630763174.db2.gz HGDSDRFHJRDXDX-LBPRGKRZSA-N 0 3 291.354 3.101 20 30 CGEDHN C#C[C@@H](NCc1cc(Cl)c(OCC)c(OC)c1)C(C)C ZINC000809685207 630780729 /nfs/dbraw/zinc/78/07/29/630780729.db2.gz GEZMNUKROUFMQO-CQSZACIVSA-N 0 3 295.810 3.495 20 30 CGEDHN C=CCN(CCOC)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878503177 635535112 /nfs/dbraw/zinc/53/51/12/635535112.db2.gz OSYMAXLJMSUXHF-IAGOWNOFSA-N 0 3 275.392 3.041 20 30 CGEDHN C=CCN(C)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811491368 631074134 /nfs/dbraw/zinc/07/41/34/631074134.db2.gz IYXBKVKCSFCWDT-CYBMUJFWSA-N 0 3 270.417 3.044 20 30 CGEDHN CCC(=NNC[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000811658429 631101260 /nfs/dbraw/zinc/10/12/60/631101260.db2.gz GCAPGIDXPWFXBS-ZDUSSCGKSA-N 0 3 291.464 3.209 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC1CC1 ZINC000813058484 631342579 /nfs/dbraw/zinc/34/25/79/631342579.db2.gz YLLPQJDASPFYAB-CYBMUJFWSA-N 0 3 281.359 3.330 20 30 CGEDHN N#CC(C(=O)C=C1CCC1)c1cc(C(F)(F)F)ccn1 ZINC000813212675 631388827 /nfs/dbraw/zinc/38/88/27/631388827.db2.gz FEIAPLWPZORBMA-NSHDSACASA-N 0 3 280.249 3.387 20 30 CGEDHN CCC(CC)NN=C1CC[C@H]2CNc3cccc1c32 ZINC000814851867 631655975 /nfs/dbraw/zinc/65/59/75/631655975.db2.gz ZBEZBNBQVBKJDC-NSHDSACASA-N 0 3 257.381 3.472 20 30 CGEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)C[C@H]2C[C@H]2C1 ZINC000815915706 631834835 /nfs/dbraw/zinc/83/48/35/631834835.db2.gz XAGMRSLWJPBSHP-HBGPKNEHSA-N 0 3 280.327 3.440 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817713926 632204968 /nfs/dbraw/zinc/20/49/68/632204968.db2.gz INPANDYPKQDKMS-RFQIPJPRSA-N 0 3 293.370 3.186 20 30 CGEDHN CCCCC[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000818123330 632290842 /nfs/dbraw/zinc/29/08/42/632290842.db2.gz RCEAEVQDEDDHII-ZIAGYGMSSA-N 0 3 281.444 3.119 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000818347294 632312079 /nfs/dbraw/zinc/31/20/79/632312079.db2.gz PUSQQWYRZBNUJT-MEDZGJRSSA-N 0 3 291.366 3.260 20 30 CGEDHN C#CC[C@H](OC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC000821627687 632806941 /nfs/dbraw/zinc/80/69/41/632806941.db2.gz LKBRMNSMPJFSQE-INIZCTEOSA-N 0 3 287.403 3.343 20 30 CGEDHN CC(C)c1cnc(CN[C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865846988 632913197 /nfs/dbraw/zinc/91/31/97/632913197.db2.gz CMBKFIFIGKVHKU-HNNXBMFYSA-N 0 3 297.427 3.395 20 30 CGEDHN N#CCCN(CC[C@H]1CC1(Cl)Cl)CC1CC1 ZINC000822663623 633001814 /nfs/dbraw/zinc/00/18/14/633001814.db2.gz GDPXAJMSVTVWLT-NSHDSACASA-N 0 3 261.196 3.196 20 30 CGEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccncc2C)c1 ZINC000823887091 633165439 /nfs/dbraw/zinc/16/54/39/633165439.db2.gz AJDIYBOWWQZVLH-QGZVFWFLSA-N 0 3 295.386 3.361 20 30 CGEDHN Cc1csc([C@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000866615870 633215352 /nfs/dbraw/zinc/21/53/52/633215352.db2.gz JCJIXFHTNQXYFS-NHYWBVRUSA-N 0 3 283.400 3.141 20 30 CGEDHN CC1(C#N)CCC(NCc2cc(F)cnc2Cl)CC1 ZINC000824544432 633257920 /nfs/dbraw/zinc/25/79/20/633257920.db2.gz XTSLFLFZRUCMFM-UHFFFAOYSA-N 0 3 281.762 3.436 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc3c(cccc3C)[nH]2)C1 ZINC000826535451 633411059 /nfs/dbraw/zinc/41/10/59/633411059.db2.gz XDWDOXWEKCELKN-CQSZACIVSA-N 0 3 252.361 3.322 20 30 CGEDHN Cc1cc(Cl)cc(CN2CCC[C@H](CC#N)C2)c1O ZINC000826861936 633438348 /nfs/dbraw/zinc/43/83/48/633438348.db2.gz OHHSDRMIMKCHFZ-GFCCVEGCSA-N 0 3 278.783 3.480 20 30 CGEDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC#N)C2)c1[O-] ZINC000826861936 633438349 /nfs/dbraw/zinc/43/83/49/633438349.db2.gz OHHSDRMIMKCHFZ-GFCCVEGCSA-N 0 3 278.783 3.480 20 30 CGEDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1[O-] ZINC000826861936 633438351 /nfs/dbraw/zinc/43/83/51/633438351.db2.gz OHHSDRMIMKCHFZ-GFCCVEGCSA-N 0 3 278.783 3.480 20 30 CGEDHN C=CCCCCCCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000827073028 633454780 /nfs/dbraw/zinc/45/47/80/633454780.db2.gz ZOZUTZBGXHCEOO-MRXNPFEDSA-N 0 3 295.471 3.249 20 30 CGEDHN C#C[C@H](NCc1cc2cc(F)ccc2o1)C1CCOCC1 ZINC000827570819 633499952 /nfs/dbraw/zinc/49/99/52/633499952.db2.gz RQLOAZHGTUWQHD-INIZCTEOSA-N 0 3 287.334 3.090 20 30 CGEDHN C#C[C@H]1CC[C@H](NC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000871764644 633856364 /nfs/dbraw/zinc/85/63/64/633856364.db2.gz LWJWQFRMIFDUOK-KOMQPUFPSA-N 0 3 299.418 3.062 20 30 CGEDHN C=CCSCCN[C@H](C)c1cccc(O)c1F ZINC000872047553 633970737 /nfs/dbraw/zinc/97/07/37/633970737.db2.gz UPSLWTKSUTUZAM-SNVBAGLBSA-N 0 3 255.358 3.101 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@H](OC2CCC2)CC1 ZINC000872279726 634098180 /nfs/dbraw/zinc/09/81/80/634098180.db2.gz HPPCZWGKOQCCBE-IBGZPJMESA-N 0 3 283.415 3.462 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000834890112 634269628 /nfs/dbraw/zinc/26/96/28/634269628.db2.gz CYSTVNONKPNKLN-BJJXKVORSA-N 0 3 261.365 3.085 20 30 CGEDHN CC[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835076333 634346488 /nfs/dbraw/zinc/34/64/88/634346488.db2.gz HPPQLWUQZOBSSH-MXWKQRLJSA-N 0 3 254.289 3.050 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2c(C)cc(C)cc21 ZINC000876646526 634874788 /nfs/dbraw/zinc/87/47/88/634874788.db2.gz YCAJHSVHGOVZKZ-AWEZNQCLSA-N 0 3 292.810 3.053 20 30 CGEDHN CS[C@H]1CCC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877035823 634957880 /nfs/dbraw/zinc/95/78/80/634957880.db2.gz JYJAHGWTZUPUGW-OLZOCXBDSA-N 0 3 295.839 3.370 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000877303797 635021444 /nfs/dbraw/zinc/02/14/44/635021444.db2.gz MVVLFCACKHRLGM-MRXNPFEDSA-N 0 3 286.419 3.330 20 30 CGEDHN C#C[C@H](NCc1cnc2c(F)cccc2c1)C(C)C ZINC000877512904 635066162 /nfs/dbraw/zinc/06/61/62/635066162.db2.gz FSEXSVLWAGWAKM-HNNXBMFYSA-N 0 3 256.324 3.121 20 30 CGEDHN C#C[C@@H](NCCC1CCOCC1)c1ccc(Cl)cc1 ZINC000877541061 635079863 /nfs/dbraw/zinc/07/98/63/635079863.db2.gz KYNADKIZYNYZAI-MRXNPFEDSA-N 0 3 277.795 3.421 20 30 CGEDHN C#C[C@@H](NCCC[C@@H]1CCO1)c1ccc(Cl)cc1 ZINC000877542419 635080950 /nfs/dbraw/zinc/08/09/50/635080950.db2.gz YNMLMRGMMLEAFL-HUUCEWRRSA-N 0 3 263.768 3.173 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCCC2CCC2)c1 ZINC000877629832 635121599 /nfs/dbraw/zinc/12/15/99/635121599.db2.gz BFXXQASEWLVZJT-UHFFFAOYSA-N 0 3 263.772 3.277 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1ccc(C#N)s1 ZINC000877704934 635156694 /nfs/dbraw/zinc/15/66/94/635156694.db2.gz XTNMIFIDEDHFNY-UHFFFAOYSA-N 0 3 281.384 3.166 20 30 CGEDHN N#Cc1ccc(CN2CC[C@]3(CCc4ccccc43)C2)o1 ZINC000877811053 635214468 /nfs/dbraw/zinc/21/44/68/635214468.db2.gz TWZZQZAXORTJRH-GOSISDBHSA-N 0 3 278.355 3.241 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2n[nH]cc21 ZINC000841760276 635233228 /nfs/dbraw/zinc/23/32/28/635233228.db2.gz DNMXIKGCZMGOEN-IAGOWNOFSA-N 0 3 292.386 3.326 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CCCC[C@@H]1C)c1ccccc1 ZINC000877935335 635279066 /nfs/dbraw/zinc/27/90/66/635279066.db2.gz JNDUFNZKSXFOTH-YJBOKZPZSA-N 0 3 284.403 3.301 20 30 CGEDHN CCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C1CCC1 ZINC000878115758 635363905 /nfs/dbraw/zinc/36/39/05/635363905.db2.gz GWEOHKBLQLGEDH-SFHVURJKSA-N 0 3 284.403 3.301 20 30 CGEDHN c1ccc([C@H]2CC(=NNC34CC(C3)C4)CCN2C2CC2)cc1 ZINC000842544359 635398143 /nfs/dbraw/zinc/39/81/43/635398143.db2.gz SBGTXMXJISXUPN-PJOPYLDSSA-N 0 3 295.430 3.484 20 30 CGEDHN C=CC[C@H](C)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000878560016 635556705 /nfs/dbraw/zinc/55/67/05/635556705.db2.gz CNJGOPINOJZAOQ-GJZGRUSLSA-N 0 3 274.408 3.102 20 30 CGEDHN C#CC1CCN(Cc2cc3ccccc3nc2OC)CC1 ZINC000843427241 635670928 /nfs/dbraw/zinc/67/09/28/635670928.db2.gz WRPOGMGMEOOWAI-UHFFFAOYSA-N 0 3 280.371 3.089 20 30 CGEDHN C#CC1CCN(Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000843426750 635671053 /nfs/dbraw/zinc/67/10/53/635671053.db2.gz JLROZEKWMDEMII-UHFFFAOYSA-N 0 3 274.751 3.326 20 30 CGEDHN C#CC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000843428879 635672751 /nfs/dbraw/zinc/67/27/51/635672751.db2.gz PXSLTNFYIBVADC-UHFFFAOYSA-N 0 3 286.394 3.271 20 30 CGEDHN N#CC(C(=O)CCCOCc1ccccc1)c1ccccn1 ZINC000127647105 635755003 /nfs/dbraw/zinc/75/50/03/635755003.db2.gz IGGDLRYELNXNJC-MRXNPFEDSA-N 0 3 294.354 3.255 20 30 CGEDHN CC[C@@H](N[C@H](C)CCC#N)c1cccc(OC)c1OC ZINC000879465055 635792250 /nfs/dbraw/zinc/79/22/50/635792250.db2.gz ASWSQEGGXBCTLS-TZMCWYRMSA-N 0 3 276.380 3.437 20 30 CGEDHN CC(C)(C#N)CCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585975 635815670 /nfs/dbraw/zinc/81/56/70/635815670.db2.gz TZXFCCRPZCTZBY-UHFFFAOYSA-N 0 3 296.418 3.010 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1cc2cnccc2o1 ZINC000879714887 635841204 /nfs/dbraw/zinc/84/12/04/635841204.db2.gz KIPMJOOFCUGWLK-NSHDSACASA-N 0 3 257.337 3.418 20 30 CGEDHN C[C@H](C#N)OCCN1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000844394881 635889511 /nfs/dbraw/zinc/88/95/11/635889511.db2.gz AAJNYPBGFCSHIH-QWHCGFSZSA-N 0 3 292.810 3.230 20 30 CGEDHN C[C@]1(C(F)(F)F)CCN(CCOc2ccc(C#N)cc2)C1 ZINC000880000799 635895726 /nfs/dbraw/zinc/89/57/26/635895726.db2.gz NSGRWOKBJWLTHQ-AWEZNQCLSA-N 0 3 298.308 3.211 20 30 CGEDHN CO[C@@]1(C(F)(F)F)CCN(CCCCC(C)(C)C#N)C1 ZINC000880307648 635970884 /nfs/dbraw/zinc/97/08/84/635970884.db2.gz RXYTZOGBPKWCJU-ZDUSSCGKSA-N 0 3 292.345 3.360 20 30 CGEDHN C#CCOc1ccc(CN2CCC3(CC3(F)F)CC2)cc1 ZINC000846054650 636138928 /nfs/dbraw/zinc/13/89/28/636138928.db2.gz OLEORSOENPMIJJ-UHFFFAOYSA-N 0 3 291.341 3.320 20 30 CGEDHN C#C[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000847026501 636316621 /nfs/dbraw/zinc/31/66/21/636316621.db2.gz FJWBDKSPVWWOHZ-OLZOCXBDSA-N 0 3 258.321 3.001 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000847027837 636317687 /nfs/dbraw/zinc/31/76/87/636317687.db2.gz CZPMNQONGRECJY-OAHLLOKOSA-N 0 3 295.382 3.255 20 30 CGEDHN CN(C)c1ccc(CN(C)Cc2cccc(C#N)c2)cc1F ZINC000130758411 636508603 /nfs/dbraw/zinc/50/86/03/636508603.db2.gz KDSIFECPXCBONP-UHFFFAOYSA-N 0 3 297.377 3.395 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000848923487 636694005 /nfs/dbraw/zinc/69/40/05/636694005.db2.gz FIVXQHJVHPOVRD-CYBMUJFWSA-N 0 3 283.350 3.061 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](Cn2ccnc2)c2ccccc2)C1 ZINC000883388136 636730112 /nfs/dbraw/zinc/73/01/12/636730112.db2.gz NQMOTPSVLDIMFM-NXHRZFHOSA-N 0 3 294.402 3.296 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](Cn2ccnc2)c2ccccc2)C1 ZINC000883388134 636730706 /nfs/dbraw/zinc/73/07/06/636730706.db2.gz NQMOTPSVLDIMFM-KBAYOESNSA-N 0 3 294.402 3.296 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(F)cc1Cl ZINC000883388884 636731883 /nfs/dbraw/zinc/73/18/83/636731883.db2.gz FPOMIPYNMCXWGO-PWSUYJOCSA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCCn1cc(CNC2(Cc3ccccc3)CCC2)nn1 ZINC000850190323 636978639 /nfs/dbraw/zinc/97/86/39/636978639.db2.gz GAJARNBVQSNVES-UHFFFAOYSA-N 0 3 296.418 3.109 20 30 CGEDHN COc1ccc(CNCc2cccc(OC)c2C)cc1C#N ZINC000850416102 637053839 /nfs/dbraw/zinc/05/38/39/637053839.db2.gz AYWFXBRAPKFBRY-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccc2ccccc2n1 ZINC000850742074 637136972 /nfs/dbraw/zinc/13/69/72/637136972.db2.gz UTJBFWVNBIETSO-YJNKXOJESA-N 0 3 276.339 3.457 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886302398 637490367 /nfs/dbraw/zinc/49/03/67/637490367.db2.gz LIMOGUNGCWRKAT-MJGOQNOKSA-N 0 3 296.414 3.068 20 30 CGEDHN C=C(C)CN(CCOC(F)F)Cc1ccccc1 ZINC000851997775 637568746 /nfs/dbraw/zinc/56/87/46/637568746.db2.gz OPOMJFLBODRBLR-UHFFFAOYSA-N 0 3 255.308 3.304 20 30 CGEDHN C#C[C@](C)(CC)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000852101346 637596120 /nfs/dbraw/zinc/59/61/20/637596120.db2.gz PKHMHQFUUOWQKC-ZIAGYGMSSA-N 0 3 286.202 3.418 20 30 CGEDHN CC(C)[C@@H](NCCO[C@@H](C)C#N)c1ccccc1F ZINC000852445663 637652969 /nfs/dbraw/zinc/65/29/69/637652969.db2.gz ARIAXMSXWYQWJS-SWLSCSKDSA-N 0 3 264.344 3.041 20 30 CGEDHN C#C[C@@H](NCc1ccc(F)c(Br)c1)C(C)C ZINC000300967869 637856947 /nfs/dbraw/zinc/85/69/47/637856947.db2.gz RTFGVRKBPWXVOJ-CYBMUJFWSA-N 0 3 284.172 3.336 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](CC(C)C)CC1=O ZINC000853598420 637871659 /nfs/dbraw/zinc/87/16/59/637871659.db2.gz QRKDHABAACBATO-HRCADAONSA-N 0 3 276.424 3.022 20 30 CGEDHN N#CC1CCC(CN2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000930447940 638272508 /nfs/dbraw/zinc/27/25/08/638272508.db2.gz LGUASVFZRKHMTM-XUJLQICISA-N 0 3 272.396 3.267 20 30 CGEDHN CC[C@@H]1COC[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000925601393 638541261 /nfs/dbraw/zinc/54/12/61/638541261.db2.gz LBMKQDKUEJZNSN-BMFZPTHFSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(-c2ccccc2)no1 ZINC000925696347 638570990 /nfs/dbraw/zinc/57/09/90/638570990.db2.gz KJEKGLPCAIXMGB-KGLIPLIRSA-N 0 3 286.375 3.177 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NC1(c2cccc(C#N)c2)CC1 ZINC000925925940 638655911 /nfs/dbraw/zinc/65/59/11/638655911.db2.gz KIWJGLDKQFTCRV-ZDUSSCGKSA-N 0 3 267.376 3.465 20 30 CGEDHN N#Cc1ccc(CNC2CC(Sc3ccccc3)C2)nc1 ZINC000926227756 638747460 /nfs/dbraw/zinc/74/74/60/638747460.db2.gz GDOMOSWGMKNFNC-UHFFFAOYSA-N 0 3 295.411 3.366 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccnc(OC(F)F)c1 ZINC000926376820 638767858 /nfs/dbraw/zinc/76/78/58/638767858.db2.gz FQZQWURZMZGHQT-JTQLQIEISA-N 0 3 283.322 3.101 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1cccnc1N1CCCC1 ZINC000926687170 638798876 /nfs/dbraw/zinc/79/88/76/638798876.db2.gz VSSHRAAODZYUID-CQSZACIVSA-N 0 3 286.423 3.100 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1nc2c(s1)COCC2 ZINC000927119322 638844913 /nfs/dbraw/zinc/84/49/13/638844913.db2.gz ZYGDCDHEECCSIH-GFCCVEGCSA-N 0 3 280.437 3.440 20 30 CGEDHN C[C@@H](N[C@H]1c2ccccc2CC[C@H]1O)c1cccc(C#N)c1 ZINC000927139505 638846839 /nfs/dbraw/zinc/84/68/39/638846839.db2.gz LUIHWKCNFLCMJQ-ZNOIYHFQSA-N 0 3 292.382 3.257 20 30 CGEDHN CCN(Cc1ccc(N)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000929334382 638919408 /nfs/dbraw/zinc/91/94/08/638919408.db2.gz WFXUGNMUWBEXEL-CYBMUJFWSA-N 0 3 280.375 3.119 20 30 CGEDHN C=CCCCCCN(C)Cc1cncc(C(=O)OC)c1 ZINC000929695981 638942393 /nfs/dbraw/zinc/94/23/93/638942393.db2.gz SVVOFSWOGMZVTM-UHFFFAOYSA-N 0 3 276.380 3.046 20 30 CGEDHN N#Cc1ccc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1F ZINC000931926119 639234572 /nfs/dbraw/zinc/23/45/72/639234572.db2.gz MTNBTDAUDAJBJK-MJGOQNOKSA-N 0 3 292.357 3.471 20 30 CGEDHN C=CCN1CCC(NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC000932141353 639273546 /nfs/dbraw/zinc/27/35/46/639273546.db2.gz WKPDUOQSPLUNFG-UHFFFAOYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](CC)c1cc(F)ccc1OC ZINC000932475729 639340871 /nfs/dbraw/zinc/34/08/71/639340871.db2.gz WDIIVDLHKBMXEJ-UKRRQHHQSA-N 0 3 281.371 3.202 20 30 CGEDHN CC(C)(C#N)CCCCN1CCOC[C@H]1CC1CC1 ZINC000933207045 639427900 /nfs/dbraw/zinc/42/79/00/639427900.db2.gz BFUJJQGDVDPSNY-OAHLLOKOSA-N 0 3 264.413 3.207 20 30 CGEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)CCO2 ZINC000933491776 639455155 /nfs/dbraw/zinc/45/51/55/639455155.db2.gz SZBCVGJWZYGVKW-GFCCVEGCSA-N 0 3 296.345 3.483 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3ccccn3)CC2)cc1 ZINC000933613406 639469486 /nfs/dbraw/zinc/46/94/86/639469486.db2.gz WSYNWIIKSCCFHN-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN O=C1C=COC2(CCN(CCCc3ccsc3)CC2)C1 ZINC000933647980 639474858 /nfs/dbraw/zinc/47/48/58/639474858.db2.gz LMPKGQNXYDOOJR-UHFFFAOYSA-N 0 3 291.416 3.018 20 30 CGEDHN CC(C)OC1CC(N(C)Cc2cc(C#N)cs2)C1 ZINC000933770232 639487845 /nfs/dbraw/zinc/48/78/45/639487845.db2.gz ITVHPFVQFMTKLW-UHFFFAOYSA-N 0 3 264.394 3.008 20 30 CGEDHN C(#Cc1ccccc1)CN[C@H](c1ccncc1)C1CC1 ZINC000934699054 639660914 /nfs/dbraw/zinc/66/09/14/639660914.db2.gz SHFFLVRFPXNYHM-SFHVURJKSA-N 0 3 262.356 3.174 20 30 CGEDHN CC(C)N1CCC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000935027700 639734074 /nfs/dbraw/zinc/73/40/74/639734074.db2.gz QGHADOSAKBJVQF-IRXDYDNUSA-N 0 3 299.418 3.020 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001006604181 640936657 /nfs/dbraw/zinc/93/66/57/640936657.db2.gz RVISRBCEKMWUIS-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C1CCC(C(=O)N[C@H]2CCCN(CC[C@H](C)F)C2)CC1 ZINC001008423241 640951037 /nfs/dbraw/zinc/95/10/37/640951037.db2.gz QJTWFOBPGKARAB-HOCLYGCPSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001009616452 640960224 /nfs/dbraw/zinc/96/02/24/640960224.db2.gz GMZNYURVMVUTJT-CQSZACIVSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001016010308 640990039 /nfs/dbraw/zinc/99/00/39/640990039.db2.gz ZRFZROYUPYLNNJ-GOSISDBHSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 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ZINC001024641242 800733321 /nfs/dbraw/zinc/73/33/21/800733321.db2.gz IBHIZGPNZLEGPM-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027778620 800820723 /nfs/dbraw/zinc/82/07/23/800820723.db2.gz QWUCVPXYZOADRU-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCCC1 ZINC001032512929 800930320 /nfs/dbraw/zinc/93/03/20/800930320.db2.gz JOEBWNZNAGCXEG-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)c1 ZINC001032751028 800934929 /nfs/dbraw/zinc/93/49/29/800934929.db2.gz ILCDAJMXIRNARW-ROUUACIJSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001034207488 801011658 /nfs/dbraw/zinc/01/16/58/801011658.db2.gz LPSGRYDOHYQZSN-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001034389936 801025026 /nfs/dbraw/zinc/02/50/26/801025026.db2.gz AHJRLCSUMNBDSK-ZIAGYGMSSA-N 0 3 292.448 3.008 20 30 CGEDHN 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290.451 3.066 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072112652 801565644 /nfs/dbraw/zinc/56/56/44/801565644.db2.gz DEWCFFNIXKCZPG-NWDGAFQWSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H](C)CC)CC1 ZINC001164285059 806928259 /nfs/dbraw/zinc/92/82/59/806928259.db2.gz ODAZVRYDOASLQE-GFCCVEGCSA-N 0 3 286.847 3.051 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001085612422 801696207 /nfs/dbraw/zinc/69/62/07/801696207.db2.gz QXSRUWNAMWCHHP-IRXDYDNUSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001086191656 801722822 /nfs/dbraw/zinc/72/28/22/801722822.db2.gz BVADFFGVJBWKDK-MELADBBJSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[C@H]2C)C1 ZINC001086461672 801728082 /nfs/dbraw/zinc/72/80/82/801728082.db2.gz ARBXOCHMDVRPIC-NMFUWQPSSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2Cl)[C@H]1CC ZINC001087749745 801765511 /nfs/dbraw/zinc/76/55/11/801765511.db2.gz 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/nfs/dbraw/zinc/84/90/03/801849003.db2.gz WVBRHVCSQGNEMK-GJZGRUSLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1C)C2 ZINC001098316993 801910087 /nfs/dbraw/zinc/91/00/87/801910087.db2.gz AUCORWDEWBBMCF-NXHRZFHOSA-N 0 3 298.430 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCCC ZINC001098900510 801919957 /nfs/dbraw/zinc/91/99/57/801919957.db2.gz QZNRKXUFGRWTQG-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001099122352 801929580 /nfs/dbraw/zinc/92/95/80/801929580.db2.gz YOQRNZIKRMNJBR-ZBFHGGJFSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001099257326 801934652 /nfs/dbraw/zinc/93/46/52/801934652.db2.gz DITFGWOTHSHZCJ-CVEARBPZSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CCC(C)(C)C)C1 ZINC001100769726 801962972 /nfs/dbraw/zinc/96/29/72/801962972.db2.gz YEKOREVIXJWXOA-UHFFFAOYSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C)CCC2)C1 ZINC001103321988 802031903 /nfs/dbraw/zinc/03/19/03/802031903.db2.gz FAXBZFINUODHPP-TZMCWYRMSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001109596080 802117620 /nfs/dbraw/zinc/11/76/20/802117620.db2.gz FINSZIMHKPCNMM-KBXIAJHMSA-N 0 3 296.430 3.058 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001113217861 802207588 /nfs/dbraw/zinc/20/75/88/802207588.db2.gz MPHIZJKJQFFEEJ-LRQZKABGSA-N 0 3 276.424 3.008 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001113246795 802209244 /nfs/dbraw/zinc/20/92/44/802209244.db2.gz VFWGFAVOVCHTEE-OAHLLOKOSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCCC(=O)NCC1(NCC(=C)Cl)CCCCC1 ZINC001115441868 802262129 /nfs/dbraw/zinc/26/21/29/802262129.db2.gz UHAVLESHCRGRRB-UHFFFAOYSA-N 0 3 284.831 3.114 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)/C=C\C2CC2)CCCCC1 ZINC001115464585 802263911 /nfs/dbraw/zinc/26/39/11/802263911.db2.gz DSDJYUCMIUELHJ-FPLPWBNLSA-N 0 3 296.842 3.114 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc(OCC(C)C)cc2)C1 ZINC001116576094 802380200 /nfs/dbraw/zinc/38/02/00/802380200.db2.gz PLNIQBJPKPIWDT-SFHVURJKSA-N 0 3 289.419 3.498 20 30 CGEDHN Cc1c([C@@H](C)NCc2c(C)cc(C#N)cc2C)cnn1C ZINC001119732864 802695593 /nfs/dbraw/zinc/69/55/93/802695593.db2.gz QLOUCPYTLJCMHS-CYBMUJFWSA-N 0 3 282.391 3.068 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001120737642 802770530 /nfs/dbraw/zinc/77/05/30/802770530.db2.gz UPBSHNWTMSGPGR-OAHLLOKOSA-N 0 3 294.826 3.415 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC001121972676 802854464 /nfs/dbraw/zinc/85/44/64/802854464.db2.gz DTDIRWHRLOOPNJ-ZDUSSCGKSA-N 0 3 299.374 3.327 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001122173874 802862450 /nfs/dbraw/zinc/86/24/50/802862450.db2.gz QHLRWDREGJBMCB-ZDUSSCGKSA-N 0 3 295.814 3.028 20 30 CGEDHN N#CC(C(=O)C[C@H]1CC=CCC1)C(=O)Nc1ccccc1 ZINC001122540503 802875162 /nfs/dbraw/zinc/87/51/62/802875162.db2.gz DXFDEMVKRPRJDY-ZFWWWQNUSA-N 0 3 282.343 3.080 20 30 CGEDHN N#CC(C(=O)CCCc1ccsc1)c1cccc(F)n1 ZINC001122640840 802877795 /nfs/dbraw/zinc/87/77/95/802877795.db2.gz OYZXFXUGIAQZNN-GFCCVEGCSA-N 0 3 288.347 3.481 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001123337748 802930298 /nfs/dbraw/zinc/93/02/98/802930298.db2.gz TXCFPQFVYCHFDF-ZIAGYGMSSA-N 0 3 271.364 3.216 20 30 CGEDHN C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132228288 803383736 /nfs/dbraw/zinc/38/37/36/803383736.db2.gz OMWRYXGDVCZJBX-IAGOWNOFSA-N 0 3 290.451 3.115 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132369425 803397455 /nfs/dbraw/zinc/39/74/55/803397455.db2.gz XDYWBHUNRXSUKC-JKSUJKDBSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CC)C2)CCCC1 ZINC001132546191 803413071 /nfs/dbraw/zinc/41/30/71/803413071.db2.gz JLSHJDPUAOBTRG-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(CC)C2)CCCC1 ZINC001132546192 803413454 /nfs/dbraw/zinc/41/34/54/803413454.db2.gz JLSHJDPUAOBTRG-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3c2cccc3F)C1 ZINC001137057501 803677486 /nfs/dbraw/zinc/67/74/86/803677486.db2.gz DUYSEIRGVRDRGE-GFCCVEGCSA-N 0 3 271.339 3.433 20 30 CGEDHN C=CCCCCN(C)Cc1nc2ccccn2c1C ZINC001137274058 803706700 /nfs/dbraw/zinc/70/67/00/803706700.db2.gz FCQPGJBGWJWFBI-UHFFFAOYSA-N 0 3 257.381 3.431 20 30 CGEDHN SCc1cccc(C2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001245430526 803735626 /nfs/dbraw/zinc/73/56/26/803735626.db2.gz YYWMOVFWMPICMV-KRWDZBQOSA-N 0 3 289.444 3.385 20 30 CGEDHN COc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c(C#N)c1 ZINC001137699657 803760895 /nfs/dbraw/zinc/76/08/95/803760895.db2.gz PEQFWYGUXLZAKR-OKILXGFUSA-N 0 3 270.376 3.189 20 30 CGEDHN Cc1ccc(F)c(CN2CCC3SC(=O)C=C3C2)c1F ZINC001138116147 803858848 /nfs/dbraw/zinc/85/88/48/803858848.db2.gz YNFKVNANTBKXEE-ZDUSSCGKSA-N 0 3 295.354 3.047 20 30 CGEDHN Cc1ccc2[nH]c(CN3CCC(S)CC3)cc2c1 ZINC001138419868 803928200 /nfs/dbraw/zinc/92/82/00/803928200.db2.gz GXODQAOVIWPDQD-UHFFFAOYSA-N 0 3 260.406 3.371 20 30 CGEDHN C#CCOc1ccc(CN2CC3(C2)CCCCC3)cc1 ZINC001138557327 803966604 /nfs/dbraw/zinc/96/66/04/803966604.db2.gz HLQLVZZTHCVDHE-UHFFFAOYSA-N 0 3 269.388 3.465 20 30 CGEDHN C=CCc1cccc(CN2CCc3cccnc3C2)c1O ZINC001138630004 803986310 /nfs/dbraw/zinc/98/63/10/803986310.db2.gz NJEBJSMKGOOGMQ-UHFFFAOYSA-N 0 3 280.371 3.074 20 30 CGEDHN C=C(C)COc1ccccc1CN1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001138665816 803997216 /nfs/dbraw/zinc/99/72/16/803997216.db2.gz XAALATCZMNKILG-QGPMSJSTSA-N 0 3 287.403 3.108 20 30 CGEDHN CCC(=O)Oc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001138966188 804093185 /nfs/dbraw/zinc/09/31/85/804093185.db2.gz KBBFXBDHUOIMIF-AWEZNQCLSA-N 0 3 286.375 3.128 20 30 CGEDHN C=CCOc1ccccc1CN(C)CCc1cccnc1 ZINC001139029774 804114704 /nfs/dbraw/zinc/11/47/04/804114704.db2.gz MWRKNUFNBLPEOB-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc3cccnc3c2)C1 ZINC001139170039 804148515 /nfs/dbraw/zinc/14/85/15/804148515.db2.gz YMCLNVYTDVVODF-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN C#CCN(C)Cc1cn(C)c2ccc(Br)cc12 ZINC001139217814 804165143 /nfs/dbraw/zinc/16/51/43/804165143.db2.gz BABKDRRUCQSIGE-UHFFFAOYSA-N 0 3 291.192 3.006 20 30 CGEDHN CCCCCCCN(C)Cc1ccc(C(=O)OC)cn1 ZINC001139494796 804195479 /nfs/dbraw/zinc/19/54/79/804195479.db2.gz LVQDYRNZWHJQHA-UHFFFAOYSA-N 0 3 278.396 3.270 20 30 CGEDHN CCCCCCCC[C@H](CC)N[C@@H]1CNCCC1=O ZINC001246293930 804262500 /nfs/dbraw/zinc/26/25/00/804262500.db2.gz PYFMRVOYHPIBCS-LSDHHAIUSA-N 0 3 268.445 3.036 20 30 CGEDHN C=CCn1cc(CN2CCCc3ccccc3C2)cn1 ZINC001139772303 804278696 /nfs/dbraw/zinc/27/86/96/804278696.db2.gz DFIJUJZUOCSBEF-UHFFFAOYSA-N 0 3 267.376 3.018 20 30 CGEDHN COCc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)s1 ZINC001139828504 804293444 /nfs/dbraw/zinc/29/34/44/804293444.db2.gz PFDFQGWDADPCAA-XYYAHUGASA-N 0 3 276.405 3.161 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001139869593 804304038 /nfs/dbraw/zinc/30/40/38/804304038.db2.gz MLKIGXNUILVQFR-HOTGVXAUSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[C@H]1CCC ZINC001139874366 804305159 /nfs/dbraw/zinc/30/51/59/804305159.db2.gz WHNUDTOFRLPZLN-HZPDHXFCSA-N 0 3 280.456 3.169 20 30 CGEDHN N#Cc1cc(F)cc(CN2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001139877353 804308082 /nfs/dbraw/zinc/30/80/82/804308082.db2.gz HCCKVLXITKJRBE-HUUCEWRRSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCN1CCN(Cc2ccccc2-c2cccnc2)CC1 ZINC001140317172 804410838 /nfs/dbraw/zinc/41/08/38/804410838.db2.gz GRCXWVGNQWWNHN-UHFFFAOYSA-N 0 3 293.414 3.052 20 30 CGEDHN CN(Cc1cccc(C#N)c1Cl)CC1CCOCC1 ZINC001140808651 804525511 /nfs/dbraw/zinc/52/55/11/804525511.db2.gz XXFBMZZUPQHBGM-UHFFFAOYSA-N 0 3 278.783 3.070 20 30 CGEDHN N#CC1CCC(N[C@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001256959688 807016151 /nfs/dbraw/zinc/01/61/51/807016151.db2.gz QEYIXNHVWLZWHH-OVGLSYRBSA-N 0 3 292.329 3.460 20 30 CGEDHN N#CC1CCC(N2CC3(CCN3Cc3ccccc3)C2)CC1 ZINC001256969244 807021306 /nfs/dbraw/zinc/02/13/06/807021306.db2.gz CBXUFXWZEWQYGE-UHFFFAOYSA-N 0 3 295.430 3.029 20 30 CGEDHN N#Cc1cc(F)ccc1CN(C1CCC1)C1CCOCC1 ZINC001141168857 804603653 /nfs/dbraw/zinc/60/36/53/804603653.db2.gz ZBVCZGGEBNAGEX-UHFFFAOYSA-N 0 3 288.366 3.231 20 30 CGEDHN COc1ccc(-c2ccc(F)cc2C#N)cc1CN(C)C ZINC001242585410 823045392 /nfs/dbraw/zinc/04/53/92/823045392.db2.gz RMUVIKYMXXCJDD-UHFFFAOYSA-N 0 3 284.334 3.435 20 30 CGEDHN CCCCCCCCNC(=S)N1CCCN(CC)CC1 ZINC001247127927 804666839 /nfs/dbraw/zinc/66/68/39/804666839.db2.gz LBNZJMGYBHLMNN-UHFFFAOYSA-N 0 3 299.528 3.249 20 30 CGEDHN CCCCCCCCNC(=S)N(C)C1CCN(C)CC1 ZINC001247129036 804667401 /nfs/dbraw/zinc/66/74/01/804667401.db2.gz ZNILAHJJHXZHBN-UHFFFAOYSA-N 0 3 299.528 3.247 20 30 CGEDHN CCCCCCCN(C)Cc1cc2c(cn1)OCCO2 ZINC001143064543 804798696 /nfs/dbraw/zinc/79/86/96/804798696.db2.gz ZSOGOMVPLHUCFZ-UHFFFAOYSA-N 0 3 278.396 3.255 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CCC[C@H](C)CCC)C2)C1 ZINC001147625046 805140458 /nfs/dbraw/zinc/14/04/58/805140458.db2.gz NHYHXLWXUSFSGZ-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN Cc1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)c(C#N)c1 ZINC001249557036 805175458 /nfs/dbraw/zinc/17/54/58/805175458.db2.gz UAKFLMFCXAXLFV-QGZVFWFLSA-N 0 3 297.402 3.047 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)CCCCC)C2)C1 ZINC001148395708 805178888 /nfs/dbraw/zinc/17/88/88/805178888.db2.gz CRIVBYZKXBBAJW-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN CCN1CCN(c2ccc(CCCCC#N)cc2)CC1 ZINC001250064945 805399363 /nfs/dbraw/zinc/39/93/63/805399363.db2.gz AUTMZXBKOXTMDS-UHFFFAOYSA-N 0 3 271.408 3.065 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCCNCC=C(Cl)Cl ZINC001167363034 807185964 /nfs/dbraw/zinc/18/59/64/807185964.db2.gz JQRXBAUXJFBPEY-UHFFFAOYSA-N 0 3 293.238 3.004 20 30 CGEDHN CCCCCCCCCC[C@@H](C)NC1(CO)COC1 ZINC001257546602 807195555 /nfs/dbraw/zinc/19/55/55/807195555.db2.gz IHSHMKLYNXAVFL-OAHLLOKOSA-N 0 3 271.445 3.257 20 30 CGEDHN Cc1nc2cc(CNC#C[Si](C)(C)C)ccc2o1 ZINC001167757123 807245175 /nfs/dbraw/zinc/24/51/75/807245175.db2.gz QKZUBJUXASAZOB-UHFFFAOYSA-N 0 3 258.397 3.064 20 30 CGEDHN N#CC1(CNC2CCN(c3cccc(F)c3)CC2)CCC1 ZINC001258407703 807443096 /nfs/dbraw/zinc/44/30/96/807443096.db2.gz RWHZQWRQPSCTJB-UHFFFAOYSA-N 0 3 287.382 3.078 20 30 CGEDHN CN(C)/C=N/c1ccc(NC(C2CC2)C2CC2)cc1C#N ZINC001168746842 807505196 /nfs/dbraw/zinc/50/51/96/807505196.db2.gz LHKWUGOFJCBKMZ-YBFXNURJSA-N 0 3 282.391 3.380 20 30 CGEDHN C=CCN(CC=C)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168863977 807533267 /nfs/dbraw/zinc/53/32/67/807533267.db2.gz LENKQHSFIPEPFX-UONOGXRCSA-N 0 3 280.412 3.058 20 30 CGEDHN C=CCC[C@H](C)NCc1c(F)c(F)ccc1OC ZINC001258719652 807568845 /nfs/dbraw/zinc/56/88/45/807568845.db2.gz HSQPCARUYZBYTO-JTQLQIEISA-N 0 3 255.308 3.418 20 30 CGEDHN CC(C)[C@H](C#N)c1ccc(-n2ccc([C@@H](C)N)n2)cc1 ZINC001169232367 807610178 /nfs/dbraw/zinc/61/01/78/807610178.db2.gz DVQQMPNVGHPILP-DOMZBBRYSA-N 0 3 268.364 3.155 20 30 CGEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001169306574 807625785 /nfs/dbraw/zinc/62/57/85/807625785.db2.gz FTRNKMJVBDOKFZ-CQSZACIVSA-N 0 3 282.428 3.140 20 30 CGEDHN C[C@](C#N)(Nc1cccc(CN)n1)c1ccccc1Cl ZINC001169390126 807638015 /nfs/dbraw/zinc/63/80/15/807638015.db2.gz YNIPMEGGELAWMU-OAHLLOKOSA-N 0 3 286.766 3.045 20 30 CGEDHN C=CC[C@H](Nc1ccc2cnc(C)cc2c1)C(=O)OC ZINC001169844454 807714839 /nfs/dbraw/zinc/71/48/39/807714839.db2.gz KOUFKKXGQTYDME-HNNXBMFYSA-N 0 3 270.332 3.073 20 30 CGEDHN CO[C@]1(C)C[C@H](NCC#Cc2cccc(Cl)c2)C1(C)C ZINC001170388113 807833899 /nfs/dbraw/zinc/83/38/99/807833899.db2.gz YQOKAGZHFATKCH-DOTOQJQBSA-N 0 3 291.822 3.485 20 30 CGEDHN N#C[C@H]1CCCN([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170701604 807878605 /nfs/dbraw/zinc/87/86/05/807878605.db2.gz QSWMPIAHGFBVSZ-WFASDCNBSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1F ZINC001263079103 807930694 /nfs/dbraw/zinc/93/06/94/807930694.db2.gz GDFWKJOAHUASLR-AWEZNQCLSA-N 0 3 294.370 3.235 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001263617129 807978738 /nfs/dbraw/zinc/97/87/38/807978738.db2.gz VTGMIODMRCCAGF-URZJAHPPSA-N 0 3 297.402 3.296 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CCCCCC1 ZINC001263616772 807978763 /nfs/dbraw/zinc/97/87/63/807978763.db2.gz IKBRNDDKFYXNBF-CYBMUJFWSA-N 0 3 259.353 3.050 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCC1(C#N)CCCC1 ZINC001171174842 807999818 /nfs/dbraw/zinc/99/98/18/807999818.db2.gz DPBVPJYIPINWNN-CQSZACIVSA-N 0 3 267.376 3.163 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001264370957 808061701 /nfs/dbraw/zinc/06/17/01/808061701.db2.gz MYPIXOUZKOMKNI-KABQWYEXSA-N 0 3 292.467 3.478 20 30 CGEDHN C#CC1CCN([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171542997 808090318 /nfs/dbraw/zinc/09/03/18/808090318.db2.gz CJWHDFPAVSUQCQ-CYBMUJFWSA-N 0 3 293.332 3.306 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001265080246 808108311 /nfs/dbraw/zinc/10/83/11/808108311.db2.gz PAWJDZYWFVQRLW-QMPFAZFSSA-N 0 3 298.858 3.454 20 30 CGEDHN CCCN(CCC#N)C1CCC(C)(C(=O)OCC)CC1 ZINC001171955495 808159097 /nfs/dbraw/zinc/15/90/97/808159097.db2.gz LLVVVVUAVOTTKV-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN CC#CCN[C@@H](C)CNC(=O)c1cccc(C2CCCC2)c1 ZINC001265851274 808187692 /nfs/dbraw/zinc/18/76/92/808187692.db2.gz MBYSCHGUSZRHEW-HNNXBMFYSA-N 0 3 298.430 3.075 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@H](C)c1ccccc1 ZINC001266309272 808240543 /nfs/dbraw/zinc/24/05/43/808240543.db2.gz RZTKBUBFUJZIFL-CQSZACIVSA-N 0 3 274.408 3.008 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCN(C)CC1=CCCCC1 ZINC001266329613 808243032 /nfs/dbraw/zinc/24/30/32/808243032.db2.gz BFPABXXUZKIAHH-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN CCCCCCC[C@H](CC)N[C@H]1C=CS(=O)(=O)C1 ZINC001172345876 808243923 /nfs/dbraw/zinc/24/39/23/808243923.db2.gz DUUPKVVUNZWKFR-KBPBESRZSA-N 0 3 273.442 3.026 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001266336478 808244690 /nfs/dbraw/zinc/24/46/90/808244690.db2.gz QFERROWKVZFBDD-RDJZCZTQSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001266336479 808245557 /nfs/dbraw/zinc/24/55/57/808245557.db2.gz QFERROWKVZFBDD-WBVHZDCISA-N 0 3 290.451 3.280 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001172356566 808252643 /nfs/dbraw/zinc/25/26/43/808252643.db2.gz WZSFTIZTZFKGQG-HUUCEWRRSA-N 0 3 289.485 3.244 20 30 CGEDHN C=CCN(CCNC(=O)c1ccc(CCC)s1)C1CC1 ZINC001266594520 808293317 /nfs/dbraw/zinc/29/33/17/808293317.db2.gz MDTCFUHEWIGUNU-UHFFFAOYSA-N 0 3 292.448 3.081 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001267104053 808357167 /nfs/dbraw/zinc/35/71/67/808357167.db2.gz LBOBUSTZXLOPPP-IAGOWNOFSA-N 0 3 292.467 3.149 20 30 CGEDHN CCCCCCC[C@@H](CCC)n1[nH]c(=O)nc1CN ZINC001172503677 808359215 /nfs/dbraw/zinc/35/92/15/808359215.db2.gz ZPKATNFZHOAVKF-GFCCVEGCSA-N 0 3 268.405 3.144 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(C)[C@@H](c2ccccc2)C1 ZINC001172507125 808364200 /nfs/dbraw/zinc/36/42/00/808364200.db2.gz PMGXLPBDOFSLJW-NVXWUHKLSA-N 0 3 271.408 3.057 20 30 CGEDHN C=CCN(C)CCNC(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001267216725 808382671 /nfs/dbraw/zinc/38/26/71/808382671.db2.gz YUKFERJVTVAXRS-INIZCTEOSA-N 0 3 288.435 3.113 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1cccc(C)c1 ZINC001267215940 808383186 /nfs/dbraw/zinc/38/31/86/808383186.db2.gz RLCXSMUUXOKWAZ-SFHVURJKSA-N 0 3 288.435 3.145 20 30 CGEDHN C=CCCCC(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001267214408 808383769 /nfs/dbraw/zinc/38/37/69/808383769.db2.gz WURIUCPLLKEOJS-AWEZNQCLSA-N 0 3 292.398 3.291 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@@](C)(C=C)CC)c1ccccc1 ZINC001267523694 808439404 /nfs/dbraw/zinc/43/94/04/808439404.db2.gz WXSSXDVZVXVIEQ-AEFFLSMTSA-N 0 3 286.419 3.222 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001267616827 808458434 /nfs/dbraw/zinc/45/84/34/808458434.db2.gz DIIQIHZOMNIRJO-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C ZINC001267701084 808472926 /nfs/dbraw/zinc/47/29/26/808472926.db2.gz WDSICISUXZCOIA-ULQDDVLXSA-N 0 3 298.430 3.248 20 30 CGEDHN CC#CCCCC(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001267790821 808493930 /nfs/dbraw/zinc/49/39/30/808493930.db2.gz MQRSVDGQHKLPTQ-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCCC(C)C)C1 ZINC001267789422 808494455 /nfs/dbraw/zinc/49/44/55/808494455.db2.gz FKLVRHVPZKLVPL-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN CC[C@H](C)[C@H]([NH2+]C1CCC2(CCCCC2)CC1)C(=O)N[O-] ZINC001173117850 808516059 /nfs/dbraw/zinc/51/60/59/808516059.db2.gz ODQXPPSCFRJBJF-ZFWWWQNUSA-N 0 3 296.455 3.389 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H]1CC=CCC1)C(C)C ZINC001268220886 808561099 /nfs/dbraw/zinc/56/10/99/808561099.db2.gz VDJQUBYCVVJQOZ-HUUCEWRRSA-N 0 3 298.858 3.216 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@H](CC)C1CCC(C)CC1 ZINC001268238669 808566530 /nfs/dbraw/zinc/56/65/30/808566530.db2.gz JHYAVMPEICMNCK-OFLPRAFFSA-N 0 3 294.483 3.415 20 30 CGEDHN CC#CCNCCN(CC)C(=O)CCCC1CCCCC1 ZINC001268497063 808593903 /nfs/dbraw/zinc/59/39/03/808593903.db2.gz XDGSIEDGHLZEIG-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN CCSC[C@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001173299377 808599101 /nfs/dbraw/zinc/59/91/01/808599101.db2.gz GEWSZWYZJRQYOI-LBPRGKRZSA-N 0 3 260.406 3.058 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](CC)C(C)(C)C ZINC001268979027 808640229 /nfs/dbraw/zinc/64/02/29/808640229.db2.gz SXTALFZSXXZCSG-PMPSAXMXSA-N 0 3 292.467 3.310 20 30 CGEDHN Cc1ccc2c(c1)[C@H](NC1CCC(C)(C#N)CC1)C(=O)N2 ZINC001173586544 808647538 /nfs/dbraw/zinc/64/75/38/808647538.db2.gz AUAJKGLRHSHTKT-VXKCQOAXSA-N 0 3 283.375 3.050 20 30 CGEDHN Cc1ccccc1C1(NC2CCC(C)(C#N)CC2)COC1 ZINC001173590576 808647746 /nfs/dbraw/zinc/64/77/46/808647746.db2.gz CNOSQKGEHNBAQT-UHFFFAOYSA-N 0 3 284.403 3.283 20 30 CGEDHN CC1(C#N)CCC(N2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001173592653 808648598 /nfs/dbraw/zinc/64/85/98/808648598.db2.gz XLGMMBZHZBAGJC-GYMHETDLSA-N 0 3 274.408 3.292 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C1CCCC1 ZINC001269189603 808652377 /nfs/dbraw/zinc/65/23/77/808652377.db2.gz VXOLRWLQWKQCCD-INIZCTEOSA-N 0 3 280.456 3.338 20 30 CGEDHN CCCCCCCN1CC[C@H](N(C)C(=O)C(C)(F)F)C1 ZINC001269209023 808655734 /nfs/dbraw/zinc/65/57/34/808655734.db2.gz SHFMSAOIRWNRFX-ZDUSSCGKSA-N 0 3 290.398 3.145 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001269311743 808667312 /nfs/dbraw/zinc/66/73/12/808667312.db2.gz VFOCJQJOJIGFOI-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](CCC)CC(C)C)C1 ZINC001269303203 808667561 /nfs/dbraw/zinc/66/75/61/808667561.db2.gz ZMYNSDORACFHQT-IAGOWNOFSA-N 0 3 292.467 3.005 20 30 CGEDHN Cc1ccnc(C#N)c1Nc1ccccc1CN(C)C ZINC001173928539 808766713 /nfs/dbraw/zinc/76/67/13/808766713.db2.gz CKBILRCSTMKFEZ-UHFFFAOYSA-N 0 3 266.348 3.067 20 30 CGEDHN C=CCN1CC[C@]2(CCCN2Cc2cccc(CC)c2)C1=O ZINC001273651684 808858091 /nfs/dbraw/zinc/85/80/91/808858091.db2.gz PYQCXOAHOLLVLK-LJQANCHMSA-N 0 3 298.430 3.002 20 30 CGEDHN C=CCC1(C(=O)N(CC)CCNC/C=C\Cl)CCCC1 ZINC001273784265 808860331 /nfs/dbraw/zinc/86/03/31/808860331.db2.gz ZPJSWJPXJLRLPF-XFFZJAGNSA-N 0 3 298.858 3.314 20 30 CGEDHN C=C(C)CCC(=O)NC/C=C\CNCc1csc(C)c1 ZINC001274069780 808869397 /nfs/dbraw/zinc/86/93/97/808869397.db2.gz YMAIFPACBHEFFS-PLNGDYQASA-N 0 3 292.448 3.175 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC1(C=C)CCCCC1 ZINC001276942411 809048742 /nfs/dbraw/zinc/04/87/42/809048742.db2.gz WGJWNZYXGLNGPF-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN Cc1cnccc1Nc1ccc(C(F)(F)F)cc1C#N ZINC001174539941 809072465 /nfs/dbraw/zinc/07/24/65/809072465.db2.gz QPDLESSHRRLSQG-UHFFFAOYSA-N 0 3 277.249 3.446 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)CC2(C)CCCCC2)C1 ZINC001278410368 809131412 /nfs/dbraw/zinc/13/14/12/809131412.db2.gz LVKZONSHHIKGBR-KRWDZBQOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)C(CC)CC)CCC[C@H]12 ZINC001278450489 809135761 /nfs/dbraw/zinc/13/57/61/809135761.db2.gz DDPNBZNZCLZIOE-QILLFSRXSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001278645144 809148214 /nfs/dbraw/zinc/14/82/14/809148214.db2.gz NPLJXSZLDYQODL-KBPBESRZSA-N 0 3 298.446 3.163 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CCCC ZINC001279539940 809173009 /nfs/dbraw/zinc/17/30/09/809173009.db2.gz DXZQAWNFQRJGKV-BRWVUGGUSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001282812652 809263691 /nfs/dbraw/zinc/26/36/91/809263691.db2.gz PBNVZODUIIXVIC-GDBMZVCRSA-N 0 3 294.483 3.461 20 30 CGEDHN C#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cn1 ZINC001175505408 809433220 /nfs/dbraw/zinc/43/32/20/809433220.db2.gz PCRHSZWMSZSDCP-UHFFFAOYSA-N 0 3 289.382 3.265 20 30 CGEDHN C=CCCC[C@@H](NCC(=O)N(C)C1CC1)c1ccccc1 ZINC001175776592 809540297 /nfs/dbraw/zinc/54/02/97/809540297.db2.gz YRZPWPRIJZHJKF-QGZVFWFLSA-N 0 3 286.419 3.294 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1CCC(C)(C)CC1 ZINC001177160970 809784607 /nfs/dbraw/zinc/78/46/07/809784607.db2.gz TUUYRBWNQARLRW-UHFFFAOYSA-N 0 3 286.847 3.051 20 30 CGEDHN C#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001179494253 809925120 /nfs/dbraw/zinc/92/51/20/809925120.db2.gz OFSBTMHSUGZEKA-AWEZNQCLSA-N 0 3 281.355 3.255 20 30 CGEDHN CC(C#N)C(=O)N(C1=CC(=O)CCC1)[C@H](C)c1ccccc1 ZINC001179895073 809955810 /nfs/dbraw/zinc/95/58/10/809955810.db2.gz IESBOPFNCQWWRK-UONOGXRCSA-N 0 3 296.370 3.373 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001191590894 810726405 /nfs/dbraw/zinc/72/64/05/810726405.db2.gz HXYJXGWGUOXQNX-QLFBSQMISA-N 0 3 294.439 3.023 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2c(C)coc2C)CC1 ZINC001195702675 811280080 /nfs/dbraw/zinc/28/00/80/811280080.db2.gz HCWFYTWZCITTQU-UHFFFAOYSA-N 0 3 290.407 3.011 20 30 CGEDHN C#CCCN1CCCN(C(=O)CCCCC(C)(C)C)CC1 ZINC001195957811 811306397 /nfs/dbraw/zinc/30/63/97/811306397.db2.gz IUDZRTIMLXHVGU-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@H](C3CCC3)CC2)c1 ZINC001197201607 811404706 /nfs/dbraw/zinc/40/47/06/811404706.db2.gz GEZNBBSIONRULF-INIZCTEOSA-N 0 3 269.392 3.355 20 30 CGEDHN C#CC[C@@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001197701552 811447743 /nfs/dbraw/zinc/44/77/43/811447743.db2.gz KQEKQXZSSDAMBQ-IAQYHMDHSA-N 0 3 298.213 3.372 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(Br)[nH]1 ZINC001232692999 818421371 /nfs/dbraw/zinc/42/13/71/818421371.db2.gz FJGSZSFGQWSWGF-UHFFFAOYSA-N 0 3 257.175 3.175 20 30 CGEDHN CCCCCCCN1CCN(c2cc(C)ccn2)CC1 ZINC001201787803 811964725 /nfs/dbraw/zinc/96/47/25/811964725.db2.gz NOHXIIWPYYMBMM-UHFFFAOYSA-N 0 3 275.440 3.482 20 30 CGEDHN CCCCCCCCN1Cc2ccnn2C[C@@H](COC)C1 ZINC001201826203 811968169 /nfs/dbraw/zinc/96/81/69/811968169.db2.gz PYCOYGWMEFXBHI-INIZCTEOSA-N 0 3 293.455 3.322 20 30 CGEDHN CCCCCCCCCN1CCC(O)=C(C(=O)OCC)C1 ZINC001201838922 811969213 /nfs/dbraw/zinc/96/92/13/811969213.db2.gz GKXUSIMDBCNMBJ-HNNXBMFYSA-N 0 3 297.439 3.191 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(CC)CC)C12CCC2 ZINC001202521253 812114316 /nfs/dbraw/zinc/11/43/16/812114316.db2.gz MMKUCKKTFINMHO-KGLIPLIRSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(OC)c1OC)C(C)(C)C ZINC001203469949 812369852 /nfs/dbraw/zinc/36/98/52/812369852.db2.gz REHYXXDGURYOEW-UHFFFAOYSA-N 0 3 293.407 3.499 20 30 CGEDHN COc1cc(C)c(CN2CCC[C@@H](CC#N)C2)cc1C ZINC001203759451 812456483 /nfs/dbraw/zinc/45/64/83/812456483.db2.gz FOIFDMXASCGGKX-HNNXBMFYSA-N 0 3 272.392 3.438 20 30 CGEDHN C=CCN1CCN(Cc2ccc(OC)c3ccccc23)CC1 ZINC001203993717 812513453 /nfs/dbraw/zinc/51/34/53/812513453.db2.gz NIBJWVPXIZHIDV-UHFFFAOYSA-N 0 3 296.414 3.152 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OC)c(C)c1OC ZINC001204263854 812592260 /nfs/dbraw/zinc/59/22/60/812592260.db2.gz PESXBUDQKAEXSD-UHFFFAOYSA-N 0 3 263.381 3.410 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2ccc3ccccc3n2)CC1 ZINC001204502405 812657610 /nfs/dbraw/zinc/65/76/10/812657610.db2.gz DMNOKALRFJAADC-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN C#C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001205974843 813149587 /nfs/dbraw/zinc/14/95/87/813149587.db2.gz UMGCKNHNMBEGDH-QGZVFWFLSA-N 0 3 298.317 3.241 20 30 CGEDHN C=CCCCCCCCN1CCC(F)(F)[C@@H](N)C1 ZINC001206656515 813391262 /nfs/dbraw/zinc/39/12/62/813391262.db2.gz LQLGXQKPTCDITL-ZDUSSCGKSA-N 0 3 260.372 3.181 20 30 CGEDHN C=CCN(CC=C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207316385 813539380 /nfs/dbraw/zinc/53/93/80/813539380.db2.gz XTCPFWCKHZWMAF-HNNXBMFYSA-N 0 3 294.439 3.450 20 30 CGEDHN N#Cc1ccc2c(c1)CCN(CCc1cccc(F)c1)C2 ZINC001208195918 813741683 /nfs/dbraw/zinc/74/16/83/813741683.db2.gz QVDUBPSSBUAGCA-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN C#CCN(CC#C)CC[C@@H](C)CCCC(C)(C)OC ZINC001208214973 813748756 /nfs/dbraw/zinc/74/87/56/813748756.db2.gz WCTLMNVVLGNPRM-INIZCTEOSA-N 0 3 263.425 3.176 20 30 CGEDHN C#CCN1CCN(C[C@H](C)c2cccc3ccccc32)CC1 ZINC001208708695 813811255 /nfs/dbraw/zinc/81/12/55/813811255.db2.gz FZDFUQFLGJVYPT-KRWDZBQOSA-N 0 3 292.426 3.194 20 30 CGEDHN Cc1cc(C#N)cc(Cl)c1NC1=CCN(C)CC1 ZINC001208838054 813860952 /nfs/dbraw/zinc/86/09/52/813860952.db2.gz NRTRJWWROKMKMI-UHFFFAOYSA-N 0 3 261.756 3.151 20 30 CGEDHN N#Cc1ccc(CCCN2CCC[C@@H]2c2cnccn2)cc1 ZINC001208858524 813870244 /nfs/dbraw/zinc/87/02/44/813870244.db2.gz MAANGNXDPSDJHC-GOSISDBHSA-N 0 3 292.386 3.118 20 30 CGEDHN N#CC1(c2ccccc2)CCN(C[C@H]2CCC=CO2)CC1 ZINC001208873245 813876166 /nfs/dbraw/zinc/87/61/66/813876166.db2.gz FBOHVYQQARREMA-QGZVFWFLSA-N 0 3 282.387 3.236 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001209038330 813920237 /nfs/dbraw/zinc/92/02/37/813920237.db2.gz LOHRYWXDLCUFCD-OWCLPIDISA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCCCCN1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001209207571 813968683 /nfs/dbraw/zinc/96/86/83/813968683.db2.gz AUEULZFFCXVCMI-INIZCTEOSA-N 0 3 272.392 3.446 20 30 CGEDHN COc1cc(C#N)ccc1Nc1ccc2c(c1)CN(C)CC2 ZINC001209461776 814051148 /nfs/dbraw/zinc/05/11/48/814051148.db2.gz LOMPQBIVUDTOQL-UHFFFAOYSA-N 0 3 293.370 3.298 20 30 CGEDHN C=C(C)[C@@H]1CC=C(C)[C@@H](OC[C@@H]2COC(C)(C)N2)C1 ZINC001217836891 815973521 /nfs/dbraw/zinc/97/35/21/815973521.db2.gz JDSCQVIPLPQKAP-KFWWJZLASA-N 0 3 265.397 3.029 20 30 CGEDHN N#C[C@@H]1CNC[C@@H]1OCc1cccc(Oc2ccccc2)c1 ZINC001217834276 815974026 /nfs/dbraw/zinc/97/40/26/815974026.db2.gz WFWRVDXDDYRLJH-QAPCUYQASA-N 0 3 294.354 3.107 20 30 CGEDHN N#Cc1ccc(Cl)cc1O[C@@H]1CNCc2ccccc21 ZINC001218485572 816240911 /nfs/dbraw/zinc/24/09/11/816240911.db2.gz CNOSSZTYVVHSNE-MRXNPFEDSA-N 0 3 284.746 3.435 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CNCc3ccccc32)c(F)c1F ZINC001218488544 816244148 /nfs/dbraw/zinc/24/41/48/816244148.db2.gz YJFIFTKPWIQOAH-CQSZACIVSA-N 0 3 286.281 3.060 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001224386740 816791152 /nfs/dbraw/zinc/79/11/52/816791152.db2.gz SJMFKJVETRVIMC-NVXWUHKLSA-N 0 3 298.446 3.165 20 30 CGEDHN C=CCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224508398 816816263 /nfs/dbraw/zinc/81/62/63/816816263.db2.gz VPQPBPQQLYVTSF-UAGQMJEPSA-N 0 3 279.424 3.334 20 30 CGEDHN CCN1CCC[C@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205078 817591289 /nfs/dbraw/zinc/59/12/89/817591289.db2.gz CGBBXOFAJIYGBR-ZDUSSCGKSA-N 0 3 264.756 3.075 20 30 CGEDHN CN(Cc1c[nH]c2cccnc12)Cc1ccc(C#N)cc1 ZINC001231490727 818111260 /nfs/dbraw/zinc/11/12/60/818111260.db2.gz YVPANTIKHWDKPH-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OC(C)C)C2)c1 ZINC001231624824 818140280 /nfs/dbraw/zinc/14/02/80/818140280.db2.gz XNKDUKZPUSWUQT-KRWDZBQOSA-N 0 3 275.392 3.251 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001231656762 818149985 /nfs/dbraw/zinc/14/99/85/818149985.db2.gz QVUXMRZEKWVMAY-CQSZACIVSA-N 0 3 267.294 3.237 20 30 CGEDHN C[C@H]1C[C@@H](CF)N(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231816996 818184408 /nfs/dbraw/zinc/18/44/08/818184408.db2.gz ULIJJDXUNHQAKA-YOEHRIQHSA-N 0 3 289.398 3.216 20 30 CGEDHN CSCCN(C)Cc1ccc(Br)c(C#N)c1 ZINC001232897244 818467388 /nfs/dbraw/zinc/46/73/88/818467388.db2.gz FOQYYAGDBHWMBQ-UHFFFAOYSA-N 0 3 299.237 3.116 20 30 CGEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233102428 818522070 /nfs/dbraw/zinc/52/20/70/818522070.db2.gz ZGTCORBHFYURJU-BETUJISGSA-N 0 3 289.398 3.241 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cc3cccnc3s2)C1 ZINC001233348172 818592213 /nfs/dbraw/zinc/59/22/13/818592213.db2.gz QKIOULGFSQOIRJ-GFCCVEGCSA-N 0 3 271.389 3.422 20 30 CGEDHN CCN1CC[C@@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233730905 818691983 /nfs/dbraw/zinc/69/19/83/818691983.db2.gz AMNWOFWGCMZVJX-GFCCVEGCSA-N 0 3 284.281 3.050 20 30 CGEDHN CN1CCc2c(cccc2O[C@H](C#N)c2cccc(F)c2)C1 ZINC001234425055 818853121 /nfs/dbraw/zinc/85/31/21/818853121.db2.gz UWBNUEDYMBJZFT-GOSISDBHSA-N 0 3 296.345 3.457 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001234537720 818876878 /nfs/dbraw/zinc/87/68/78/818876878.db2.gz QHUXSYYWRWYFKP-OAHLLOKOSA-N 0 3 298.446 3.261 20 30 CGEDHN C=CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C(C)(C)C ZINC001236816952 819606125 /nfs/dbraw/zinc/60/61/25/819606125.db2.gz ZMPCUVMIMXRXSJ-UHFFFAOYSA-N 0 3 263.381 3.496 20 30 CGEDHN C=CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C(C)(C)C ZINC001236816952 819606129 /nfs/dbraw/zinc/60/61/29/819606129.db2.gz ZMPCUVMIMXRXSJ-UHFFFAOYSA-N 0 3 263.381 3.496 20 30 CGEDHN CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001237044660 819649787 /nfs/dbraw/zinc/64/97/87/819649787.db2.gz RNAURTWAIDKTDM-XMQYKBBCSA-N 0 3 286.375 3.057 20 30 CGEDHN CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001237044660 819649793 /nfs/dbraw/zinc/64/97/93/819649793.db2.gz RNAURTWAIDKTDM-XMQYKBBCSA-N 0 3 286.375 3.057 20 30 CGEDHN C=CCN(CC=C)Cc1ccnc2c(OC)cccc12 ZINC001237117109 819672137 /nfs/dbraw/zinc/67/21/37/819672137.db2.gz PMJFAWFUUCTZPY-UHFFFAOYSA-N 0 3 268.360 3.417 20 30 CGEDHN C=CCOc1cccc(CN2CCNC3=CCCC[C@H]32)c1 ZINC001237224277 819703388 /nfs/dbraw/zinc/70/33/88/819703388.db2.gz CXARGKZGLCQDFT-GOSISDBHSA-N 0 3 284.403 3.093 20 30 CGEDHN CC(C)N1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC001237755483 819836882 /nfs/dbraw/zinc/83/68/82/819836882.db2.gz PJDMVDQWVMCOAS-ZDUSSCGKSA-N 0 3 291.826 3.126 20 30 CGEDHN C#CC1CCN(Cc2cc(F)cc(OCC)c2)CC1 ZINC001237922323 819885781 /nfs/dbraw/zinc/88/57/81/819885781.db2.gz YMZGKRAPXRWTCN-UHFFFAOYSA-N 0 3 261.340 3.070 20 30 CGEDHN C#CC1CCN(Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001238005332 819909558 /nfs/dbraw/zinc/90/95/58/819909558.db2.gz TWBPDYUKVLIWNS-UHFFFAOYSA-N 0 3 273.767 3.062 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@]1(C)O ZINC001238079587 819926301 /nfs/dbraw/zinc/92/63/01/819926301.db2.gz DMYFNVKNNQRVCU-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN C=CCN(Cc1cnc(F)c(OC)c1)C(C)(C)C ZINC001238461785 820009919 /nfs/dbraw/zinc/00/99/19/820009919.db2.gz IEDHZATWYFVOBH-UHFFFAOYSA-N 0 3 252.333 3.016 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cnc(C3CC3)c(C)c2)C1 ZINC001238629263 820067482 /nfs/dbraw/zinc/06/74/82/820067482.db2.gz WDJOKWSHHCWUOA-CQSZACIVSA-N 0 3 254.377 3.113 20 30 CGEDHN C#CCN(C)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001238636016 820068875 /nfs/dbraw/zinc/06/88/75/820068875.db2.gz AMLUUVYEWSJVIP-UHFFFAOYSA-N 0 3 270.763 3.467 20 30 CGEDHN CCO[C@@H]1CCCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238774330 820115334 /nfs/dbraw/zinc/11/53/34/820115334.db2.gz IBOHJGAHRVBRBJ-QGZVFWFLSA-N 0 3 272.392 3.122 20 30 CGEDHN CCc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1C#N ZINC001238778484 820116541 /nfs/dbraw/zinc/11/65/41/820116541.db2.gz NPDNIBXZBKJLAQ-GJWQZFMSSA-N 0 3 279.387 3.387 20 30 CGEDHN CCCCCCCOC(=O)N1CCN[C@H](C(C)C)C1 ZINC001239333284 820278318 /nfs/dbraw/zinc/27/83/18/820278318.db2.gz GCWBOHSGUTUDSV-AWEZNQCLSA-N 0 3 270.417 3.023 20 30 CGEDHN COc1cc(C#N)ccc1-c1ccc2c(c1)CN(C)CC2 ZINC001241411973 821806694 /nfs/dbraw/zinc/80/66/94/821806694.db2.gz HPUMPBNFZPCIEI-UHFFFAOYSA-N 0 3 278.355 3.222 20 30 CGEDHN N#Cc1ccc(-c2ccc(F)c(CN3CCCC3)c2)cn1 ZINC001241434630 821826723 /nfs/dbraw/zinc/82/67/23/821826723.db2.gz CJPZQUJQSGILCD-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN COc1cccc(-c2cnccc2/C=C/N(C)C)c1C#N ZINC001242300066 822944323 /nfs/dbraw/zinc/94/43/23/822944323.db2.gz HLFFCGNPIYZHRK-CSKARUKUSA-N 0 3 279.343 3.161 20 30 CGEDHN C[N@@H+]1CC[C@@H](c2ccc(-c3ccc([O-])c(C#N)c3)cc2)C1 ZINC001242566359 823036596 /nfs/dbraw/zinc/03/65/96/823036596.db2.gz VPNKKIIDCBUZCU-MRXNPFEDSA-N 0 3 278.355 3.350 20 30 CGEDHN C[N@H+]1CC[C@@H](c2ccc(-c3ccc([O-])c(C#N)c3)cc2)C1 ZINC001242566359 823036599 /nfs/dbraw/zinc/03/65/99/823036599.db2.gz VPNKKIIDCBUZCU-MRXNPFEDSA-N 0 3 278.355 3.350 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001338902046 936337980 /nfs/dbraw/zinc/33/79/80/936337980.db2.gz JPKDQKXPLMRSAB-RDJZCZTQSA-N 0 3 286.419 3.122 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001338902045 936338291 /nfs/dbraw/zinc/33/82/91/936338291.db2.gz JPKDQKXPLMRSAB-NVXWUHKLSA-N 0 3 286.419 3.122 20 30 CGEDHN C(#Cc1ccccc1)CNCCc1nc2c(s1)CCCC2 ZINC001335463007 936146794 /nfs/dbraw/zinc/14/67/94/936146794.db2.gz CMJSYULNBIBLEF-UHFFFAOYSA-N 0 3 296.439 3.206 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC001339996770 936394498 /nfs/dbraw/zinc/39/44/98/936394498.db2.gz UTFSVGQDVLWHAT-QZTJIDSGSA-N 0 3 298.430 3.349 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)c1nccs1 ZINC001340588331 936408262 /nfs/dbraw/zinc/40/82/62/936408262.db2.gz AIFCUDDAIXPEOK-LBPRGKRZSA-N 0 3 283.441 3.184 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC001341336710 936434700 /nfs/dbraw/zinc/43/47/00/936434700.db2.gz IWXXYPYILXLMJT-DLBZAZTESA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c2ncccc12 ZINC001341553645 936442241 /nfs/dbraw/zinc/44/22/41/936442241.db2.gz QZQSXGBZEJLNKO-CQSZACIVSA-N 0 3 283.375 3.165 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1ccccc1C ZINC001344322149 936529458 /nfs/dbraw/zinc/52/94/58/936529458.db2.gz IUHRQGYPIARGGQ-HOCLYGCPSA-N 0 3 295.386 3.267 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)C(F)(F)F ZINC001345622185 936817448 /nfs/dbraw/zinc/81/74/48/936817448.db2.gz VBYDOZSYPXUHER-HTRCEHHLSA-N 0 3 292.207 3.125 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001347338847 936880108 /nfs/dbraw/zinc/88/01/08/936880108.db2.gz VUQVCSGMVLFGGW-HBNTYKKESA-N 0 3 293.798 3.322 20 30 CGEDHN C[C@@H](NCCCCC1(C#N)CCC1)c1nnc2ccccn21 ZINC001351283990 937013403 /nfs/dbraw/zinc/01/34/03/937013403.db2.gz OZBPTZKCZAOTEK-CQSZACIVSA-N 0 3 297.406 3.244 20 30 CGEDHN Cc1ccc(C[C@@H](C)NCc2nc(C#N)cs2)cc1 ZINC001352750172 937048123 /nfs/dbraw/zinc/04/81/23/937048123.db2.gz LDVLIFMDVROHRJ-GFCCVEGCSA-N 0 3 271.389 3.044 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NCc1cccc(C)n1 ZINC001353482527 937066768 /nfs/dbraw/zinc/06/67/68/937066768.db2.gz MOSIGKXLIPSULP-INIZCTEOSA-N 0 3 291.439 3.084 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001481678034 927053579 /nfs/dbraw/zinc/05/35/79/927053579.db2.gz GNQUKTJZYRVTQR-IKGGRYGDSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CCC ZINC001481677049 927055639 /nfs/dbraw/zinc/05/56/39/927055639.db2.gz VOAYIJQFDVUBHR-JYJNAYRXSA-N 0 3 292.467 3.453 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H](C)C1CC1)C1CC1 ZINC001481950400 927114963 /nfs/dbraw/zinc/11/49/63/927114963.db2.gz FSDAGFAPYNXNOR-BDJLRTHQSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCC(C)(C)C(=O)NCC1(NCc2ccsc2)CC1 ZINC001483771546 927617831 /nfs/dbraw/zinc/61/78/31/927617831.db2.gz KAYWAFZCFZVXTC-UHFFFAOYSA-N 0 3 292.448 3.089 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1 ZINC001484560793 927722466 /nfs/dbraw/zinc/72/24/66/927722466.db2.gz HIYNDCUZYWCROA-WMLDXEAASA-N 0 3 298.430 3.023 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001484720877 927744921 /nfs/dbraw/zinc/74/49/21/927744921.db2.gz WJGIFCDQKSLOJV-VOTDVEDPSA-N 0 3 298.858 3.312 20 30 CGEDHN C#CCCCC(=O)NCc1ccc2c(c1)CN(CCCC)C2 ZINC001484873677 927763910 /nfs/dbraw/zinc/76/39/10/927763910.db2.gz PSWHHZSUYXHBBX-UHFFFAOYSA-N 0 3 298.430 3.222 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001485693774 927904360 /nfs/dbraw/zinc/90/43/60/927904360.db2.gz NLJHOGJYSULYHM-IHRRRGAJSA-N 0 3 298.858 3.050 20 30 CGEDHN CC(C)(C)N1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238192036 927935620 /nfs/dbraw/zinc/93/56/20/927935620.db2.gz RFNZMMSUTUCUOS-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN C#CCCCNc1cccc(CN(CC)CC)c1F ZINC001162446484 928048248 /nfs/dbraw/zinc/04/82/48/928048248.db2.gz HMZWSWAKXOPRFG-UHFFFAOYSA-N 0 3 262.372 3.493 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC001434542229 937249003 /nfs/dbraw/zinc/24/90/03/937249003.db2.gz LXDPPLLZYLXDHB-DOMZBBRYSA-N 0 3 281.359 3.112 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccc(CC(C)C)cc2)CC1 ZINC001435500454 937261464 /nfs/dbraw/zinc/26/14/64/937261464.db2.gz AQOCEKCPQWHTEA-UHFFFAOYSA-N 0 3 298.430 3.169 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001459635942 937494898 /nfs/dbraw/zinc/49/48/98/937494898.db2.gz SONFKSMNKLAPIS-USXIJHARSA-N 0 3 287.403 3.057 20 30 CGEDHN C=CC[C@@H](C)N1CCO[C@]2(CCc3ccccc32)C1 ZINC001459768239 937499856 /nfs/dbraw/zinc/49/98/56/937499856.db2.gz GARVVGJSFMMOLR-RHSMWYFYSA-N 0 3 257.377 3.125 20 30 CGEDHN C=CCN(CCOC1CCCCCC1)[C@H](C)COC ZINC001460408135 937529752 /nfs/dbraw/zinc/52/97/52/937529752.db2.gz LLSUNJDLSXSPSM-OAHLLOKOSA-N 0 3 269.429 3.249 20 30 CGEDHN C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1[O-] ZINC001140116081 931955663 /nfs/dbraw/zinc/95/56/63/931955663.db2.gz QNHHDDPXNMIWKH-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1[O-] ZINC001140116081 931955669 /nfs/dbraw/zinc/95/56/69/931955669.db2.gz QNHHDDPXNMIWKH-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN CCCCCCCN1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OCC ZINC001460988176 937557685 /nfs/dbraw/zinc/55/76/85/937557685.db2.gz MPXIJCXKRFJSAC-ZNMIVQPWSA-N 0 3 267.413 3.373 20 30 CGEDHN C=C(CNCc1cnnn1-c1ccccc1)c1ccccc1 ZINC001461155867 937566860 /nfs/dbraw/zinc/56/68/60/937566860.db2.gz XNIMFZVCXGRLPX-UHFFFAOYSA-N 0 3 290.370 3.070 20 30 CGEDHN CCC1=C(Oc2cccc([C@H](C)N(C)C)c2)C(=O)[C@H](C)O1 ZINC001229628677 932181306 /nfs/dbraw/zinc/18/13/06/932181306.db2.gz WCOXPVLWHOFJTR-RYUDHWBXSA-N 0 3 289.375 3.297 20 30 CGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001491933988 932797532 /nfs/dbraw/zinc/79/75/32/932797532.db2.gz GWNDFFVGIHXWOY-DOTOQJQBSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001492027567 932803611 /nfs/dbraw/zinc/80/36/11/932803611.db2.gz FMCDYONKNOWZQY-HUUCEWRRSA-N 0 3 298.858 3.360 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCC(F)F)C1 ZINC001462382709 937636589 /nfs/dbraw/zinc/63/65/89/937636589.db2.gz GWAWZLNOZBWKRZ-CYBMUJFWSA-N 0 3 279.330 3.176 20 30 CGEDHN CCCCCCCCCN1CCN2C(=O)OCC[C@@H]2C1 ZINC001307591038 932973185 /nfs/dbraw/zinc/97/31/85/932973185.db2.gz DEQFNQAMTJBAAX-OAHLLOKOSA-N 0 3 282.428 3.264 20 30 CGEDHN C=CC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC001307915782 933020643 /nfs/dbraw/zinc/02/06/43/933020643.db2.gz XFRIJTNYSXNMAK-INIZCTEOSA-N 0 3 257.352 3.465 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC001316804505 933483836 /nfs/dbraw/zinc/48/38/36/933483836.db2.gz OGQSLXFCUOVUTC-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001317171320 933544113 /nfs/dbraw/zinc/54/41/13/933544113.db2.gz ADZGUSGAUKNAPX-SJORKVTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001317171317 933544177 /nfs/dbraw/zinc/54/41/77/933544177.db2.gz ADZGUSGAUKNAPX-DLBZAZTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CC1(CC(=O)NCCN(C)CC[C@@H](C)F)CCCCC1 ZINC001317463429 933597106 /nfs/dbraw/zinc/59/71/06/933597106.db2.gz BOGKFTNAVOITEG-OAHLLOKOSA-N 0 3 298.446 3.309 20 30 CGEDHN C=CCN[C@H](CNC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC001317722268 933638534 /nfs/dbraw/zinc/63/85/34/933638534.db2.gz PONHPVFFRVYLNC-OKZBNKHCSA-N 0 3 298.430 3.056 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C1(C)CCCC1)c1ccccc1 ZINC001317721007 933638823 /nfs/dbraw/zinc/63/88/23/933638823.db2.gz APTHABPNTSRXTO-INIZCTEOSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CC12CCCC2)C(C)C ZINC001319955249 933964083 /nfs/dbraw/zinc/96/40/83/933964083.db2.gz CSRABYFILLSKRM-UONOGXRCSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCO[C@H]1CCN(CCOc2ccc(SC)cc2)C1 ZINC001320320797 934028991 /nfs/dbraw/zinc/02/89/91/934028991.db2.gz JIYWWDKHOBLZHA-HNNXBMFYSA-N 0 3 293.432 3.064 20 30 CGEDHN C=C[C@@H](COC)NCc1c(C)cc(Cl)cc1C ZINC001320311880 934029658 /nfs/dbraw/zinc/02/96/58/934029658.db2.gz GDCJXOYHGOSCFR-ZDUSSCGKSA-N 0 3 253.773 3.247 20 30 CGEDHN C=C[C@H](COC)NCc1cccc(-c2cccnc2)c1 ZINC001321240917 934168909 /nfs/dbraw/zinc/16/89/09/934168909.db2.gz LCAUUCOXRIKAJD-QGZVFWFLSA-N 0 3 268.360 3.039 20 30 CGEDHN COc1cc(CN[C@H]2CC[C@@H](C#N)C2)cc(Cl)c1OC ZINC001321668718 934202240 /nfs/dbraw/zinc/20/22/40/934202240.db2.gz RIARQPACLCDHAQ-PWSUYJOCSA-N 0 3 294.782 3.139 20 30 CGEDHN COc1ccc(C[C@H](C)N(C)Cc2ccc(C#N)o2)cc1 ZINC001323302063 934383575 /nfs/dbraw/zinc/38/35/75/934383575.db2.gz AQMSTWDBWCZJGB-ZDUSSCGKSA-N 0 3 284.359 3.223 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](C)CC1CCCCC1 ZINC001323317383 934387536 /nfs/dbraw/zinc/38/75/36/934387536.db2.gz GRSMQNZBCWTBAB-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001323439278 934397103 /nfs/dbraw/zinc/39/71/03/934397103.db2.gz YDTSWDCWNADVAW-ZANVPECISA-N 0 3 257.736 3.067 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC001324023682 934450268 /nfs/dbraw/zinc/45/02/68/934450268.db2.gz YRKKNCYUQLVIEM-GXTWGEPZSA-N 0 3 251.345 3.294 20 30 CGEDHN C=CCO[C@@H]1CCN(CCc2cccc(Cl)c2)C1 ZINC001324746993 934561863 /nfs/dbraw/zinc/56/18/63/934561863.db2.gz IYIZDQXIOONDKB-OAHLLOKOSA-N 0 3 265.784 3.159 20 30 CGEDHN N#CCOc1cccc(CNCc2cccn2C2CC2)c1 ZINC001325118183 934887641 /nfs/dbraw/zinc/88/76/41/934887641.db2.gz TWTKQNVTVQDFLK-UHFFFAOYSA-N 0 3 281.359 3.015 20 30 CGEDHN C#C[C@@H]1CCCN(CCOc2ccccc2C(F)(F)F)C1 ZINC001473587854 937812498 /nfs/dbraw/zinc/81/24/98/937812498.db2.gz QQHXFBLGEJJNSG-CYBMUJFWSA-N 0 3 297.320 3.429 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001326405034 934976772 /nfs/dbraw/zinc/97/67/72/934976772.db2.gz SWGGEDOIHZGCFC-CQSZACIVSA-N 0 3 298.858 3.147 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC2CCCC2)cc1 ZINC001326495561 934985334 /nfs/dbraw/zinc/98/53/34/934985334.db2.gz UMJKXLJLUAHHRG-OAHLLOKOSA-N 0 3 298.430 3.167 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCC(C)C)C1 ZINC001327938364 935100214 /nfs/dbraw/zinc/10/02/14/935100214.db2.gz FGWIEPPHFWAZGZ-KRWDZBQOSA-N 0 3 289.419 3.498 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001330639709 935306691 /nfs/dbraw/zinc/30/66/91/935306691.db2.gz VZIFPYUNNHEQJV-RTXFEEFZSA-N 0 3 280.293 3.221 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(C)c(C)o1 ZINC001330786872 935322830 /nfs/dbraw/zinc/32/28/30/935322830.db2.gz WCEGDZIAPCZNAI-LBPRGKRZSA-N 0 3 298.814 3.137 20 30 CGEDHN C1CCN([C@H]2CCCCC2=NNC2CCSCC2)CC1 ZINC001330904225 935332838 /nfs/dbraw/zinc/33/28/38/935332838.db2.gz SUMIABRRHIMLRK-INIZCTEOSA-N 0 3 295.496 3.256 20 30 CGEDHN N#CCC1CCN(C/C=C\c2cccc(F)c2)CC1 ZINC001333704811 936057235 /nfs/dbraw/zinc/05/72/35/936057235.db2.gz BXSODNYCJWEOST-RQOWECAXSA-N 0 3 258.340 3.465 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc([S@@](C)=O)cc2)C1 ZINC001333986777 936078853 /nfs/dbraw/zinc/07/88/53/936078853.db2.gz FEKRALPPTXJFOT-IFXJQAMLSA-N 0 3 277.433 3.212 20 30 CGEDHN C=C(C)[C@H](CO)N1CC=C(c2cccc(C)c2C)CC1 ZINC001473872910 937826393 /nfs/dbraw/zinc/82/63/93/937826393.db2.gz VEWHRIWKBJGXDF-SFHVURJKSA-N 0 3 271.404 3.330 20 30 CGEDHN CC(C)c1ccc2c(c1)CCN(C[C@@H](O)CC1(C#N)CC1)C2 ZINC001473905946 937829246 /nfs/dbraw/zinc/82/92/46/937829246.db2.gz YOSAHVCUZYCOKZ-SFHVURJKSA-N 0 3 298.430 3.223 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)CCC(C)C)c1ccccc1 ZINC001493880708 937951763 /nfs/dbraw/zinc/95/17/63/937951763.db2.gz PHFZDYYIARFSPR-KRWDZBQOSA-N 0 3 288.435 3.446 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)/C(C)=C\CC)C1 ZINC001493939238 937952266 /nfs/dbraw/zinc/95/22/66/937952266.db2.gz KOPSGIBCAHHCNY-MVMZHWFQSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2(C=C)CCCCC2)C1 ZINC001494852509 937956805 /nfs/dbraw/zinc/95/68/05/937956805.db2.gz MWPATENJEIMWHX-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCC(=O)NC[C@@H](CC)N[C@@H](C)c1ccccc1F ZINC001494950592 937957432 /nfs/dbraw/zinc/95/74/32/937957432.db2.gz OAGIWIKVQAHTAH-UONOGXRCSA-N 0 3 292.398 3.337 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CC1CC(C)(C)C1 ZINC001497253627 937965306 /nfs/dbraw/zinc/96/53/06/937965306.db2.gz GPCWFHTYSNLJOX-LBPRGKRZSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(C)cccc1C ZINC001498615081 937970486 /nfs/dbraw/zinc/97/04/86/937970486.db2.gz ARAWKWLCKWSXTQ-UHFFFAOYSA-N 0 3 294.826 3.108 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1CCCC(C)(C)C ZINC001499036834 937972112 /nfs/dbraw/zinc/97/21/12/937972112.db2.gz HKZXEPRYVSXWCE-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H](CC)CCCC)CC1 ZINC001499967794 937975393 /nfs/dbraw/zinc/97/53/93/937975393.db2.gz SSNJMSMSVNGYBT-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001502836863 937983537 /nfs/dbraw/zinc/98/35/37/937983537.db2.gz UUKYGOQANITHBT-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CC1(C)CC1 ZINC001505824490 937987236 /nfs/dbraw/zinc/98/72/36/937987236.db2.gz RRDCBXCKKPUTAZ-UHFFFAOYSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)c2ccco2)CCCCC1 ZINC001506489077 937990268 /nfs/dbraw/zinc/99/02/68/937990268.db2.gz JCIGVGMHTHNVCK-UHFFFAOYSA-N 0 3 296.798 3.054 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001506740008 937991678 /nfs/dbraw/zinc/99/16/78/937991678.db2.gz NURQOWOQRAURBH-AWEZNQCLSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CC1(CC(=O)N2C[C@H](NCCF)C[C@@H]2C)CCCCC1 ZINC001507324516 937995002 /nfs/dbraw/zinc/99/50/02/937995002.db2.gz KOILLIZOJOBLMB-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(CC)CCC2)[C@@H]1C ZINC001507381038 937995465 /nfs/dbraw/zinc/99/54/65/937995465.db2.gz HWUCPHQJNQTZMD-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CC=CCC1)c1nc2ccccc2[nH]1 ZINC001514973834 938004082 /nfs/dbraw/zinc/00/40/82/938004082.db2.gz FKRXAYCGPONCFG-CHWSQXEVSA-N 0 3 279.343 3.486 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CC=CCC1)c1nc2ccccc2[nH]1 ZINC001514973836 938004114 /nfs/dbraw/zinc/00/41/14/938004114.db2.gz FKRXAYCGPONCFG-OLZOCXBDSA-N 0 3 279.343 3.486 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC001520028780 938022590 /nfs/dbraw/zinc/02/25/90/938022590.db2.gz IRZDGELQCHZARX-LLVKDONJSA-N 0 3 293.798 3.466 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1ncc(F)cc1F)C1CCCC1 ZINC001520455895 938025893 /nfs/dbraw/zinc/02/58/93/938025893.db2.gz OGPXBDRUWVJOKA-CABZTGNLSA-N 0 3 278.302 3.362 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NCc1cnc(C)s1 ZINC001521453694 938032068 /nfs/dbraw/zinc/03/20/68/938032068.db2.gz BILSVGINQWTYOM-AWEZNQCLSA-N 0 3 297.468 3.146 20 30 CGEDHN C=CCCCC(=O)Nc1cnccc1NC(CC)CC ZINC001556804901 938205639 /nfs/dbraw/zinc/20/56/39/938205639.db2.gz RQFWXSQYNMHTFR-UHFFFAOYSA-N 0 3 275.396 3.399 20 30 CGEDHN C#CCN(C[C@@H]1CC(C)(C)CO1)[C@H]1CCc2ccccc21 ZINC001559499443 938227562 /nfs/dbraw/zinc/22/75/62/938227562.db2.gz UITPGBTWJJMBDD-WMZOPIPTSA-N 0 3 283.415 3.424 20 30 CGEDHN C#CCN(CCOCCCC)[C@H]1CCc2ccccc21 ZINC001559499200 938227713 /nfs/dbraw/zinc/22/77/13/938227713.db2.gz LOIYFBVJVGYBKF-SFHVURJKSA-N 0 3 271.404 3.426 20 30 CGEDHN CC[C@@H](c1ccccc1)N1CCN([C@H](C)CCC#N)CC1 ZINC001559567908 938229896 /nfs/dbraw/zinc/22/98/96/938229896.db2.gz MTFHOZVAZWINEM-AEFFLSMTSA-N 0 3 285.435 3.448 20 30 CGEDHN CC#CCN([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC001560045878 938242538 /nfs/dbraw/zinc/24/25/38/938242538.db2.gz VGCJUFAOMDDLLV-PBHICJAKSA-N 0 3 257.377 3.034 20 30 CGEDHN C#CCN(CCOc1ccc(C(F)(F)F)cc1)C(C)C ZINC001560164631 938245941 /nfs/dbraw/zinc/24/59/41/938245941.db2.gz GILHMTVNHKVJAE-UHFFFAOYSA-N 0 3 285.309 3.428 20 30 CGEDHN C[C@H]1CC[C@](CO)(NCC2(CC#N)CC2)c2ccccc21 ZINC001560226472 938247773 /nfs/dbraw/zinc/24/77/73/938247773.db2.gz SEJYGECUGSQRBO-KBXCAEBGSA-N 0 3 284.403 3.055 20 30 CGEDHN CCc1ccc2c(c1)CCN(C[C@H](O)CC1(C#N)CCC1)C2 ZINC001560238396 938248558 /nfs/dbraw/zinc/24/85/58/938248558.db2.gz NKHBPEXJTOMAJA-GOSISDBHSA-N 0 3 298.430 3.052 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H](C2CC2)C1 ZINC001577426218 960474169 /nfs/dbraw/zinc/47/41/69/960474169.db2.gz JAGOMYVQWOPDDI-HZPDHXFCSA-N 0 3 280.456 3.323 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)[C@H]1C ZINC001566104059 960875292 /nfs/dbraw/zinc/87/52/92/960875292.db2.gz IZZHESUOQPYNGV-KFWWJZLASA-N 0 3 280.456 3.214 20 30 CGEDHN C=CCCCC(=O)N1CCCCC[C@H](NCC(=C)Cl)C1 ZINC001566071723 960885378 /nfs/dbraw/zinc/88/53/78/960885378.db2.gz NMUGIHGUBZTQPO-HNNXBMFYSA-N 0 3 298.858 3.456 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001566525046 960952052 /nfs/dbraw/zinc/95/20/52/960952052.db2.gz HIMIKFZXLFWFTJ-DZGCQCFKSA-N 0 3 298.858 3.288 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1ccoc1C(C)C)C1CC1 ZINC001567455445 961348925 /nfs/dbraw/zinc/34/89/25/961348925.db2.gz BHMAMMIEELEORA-UHFFFAOYSA-N 0 3 290.407 3.173 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)C1(C)CCC1)c1ccccc1 ZINC001567663787 961388180 /nfs/dbraw/zinc/38/81/80/961388180.db2.gz SDCBJBLUVGEOMO-MRXNPFEDSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001567861160 961447744 /nfs/dbraw/zinc/44/77/44/961447744.db2.gz LNCCPGWVJZBGDE-XYJFISCASA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001568489128 961596370 /nfs/dbraw/zinc/59/63/70/961596370.db2.gz ONKSFOBIOFOGOF-JKSUJKDBSA-N 0 3 292.467 3.191 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCN2CCC2CC2)CCCC1 ZINC001569387405 961747092 /nfs/dbraw/zinc/74/70/92/961747092.db2.gz LYVBTFXBUZXLIP-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001569369527 961748188 /nfs/dbraw/zinc/74/81/88/961748188.db2.gz HRNHEXICCOZBBJ-AEFFLSMTSA-N 0 3 290.451 3.280 20 30 CGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)CCC)C1 ZINC001569711362 961830919 /nfs/dbraw/zinc/83/09/19/961830919.db2.gz BETCKDGFZPWBIP-AEFFLSMTSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCCC(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001570312421 961941426 /nfs/dbraw/zinc/94/14/26/961941426.db2.gz DKEMYZXXOGXSQW-UHFFFAOYSA-N 0 3 286.419 3.383 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(C)CCC(C)CC1 ZINC001570547103 962001851 /nfs/dbraw/zinc/00/18/51/962001851.db2.gz AIIVEIWHWISISL-UPTPFMHGSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1N(CC=C)CC2 ZINC001571500728 962173521 /nfs/dbraw/zinc/17/35/21/962173521.db2.gz HMVGXRJNRCXFBT-AEFFLSMTSA-N 0 3 288.435 3.054 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CC)c(Cl)c1 ZINC001574856649 962319496 /nfs/dbraw/zinc/31/94/96/962319496.db2.gz DKUZOQUBWNEWAE-GFCCVEGCSA-N 0 3 287.190 3.311 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)C/C(C)=C/c1ccccc1 ZINC001574901227 962336284 /nfs/dbraw/zinc/33/62/84/962336284.db2.gz CPRLVTVTSDUXJY-VOGRQWBCSA-N 0 3 286.419 3.232 20 30 CGEDHN CC(C)(C)CN(CC(C)(C)C)C(=O)[C@@H](N)CCCCC#N ZINC001575131744 962350849 /nfs/dbraw/zinc/35/08/49/962350849.db2.gz CHRKAXATEPUXJO-AWEZNQCLSA-N 0 3 295.471 3.318 20 30 CGEDHN COc1cccc(C(C)(C)CNC[C@@H](C#N)CCC#N)c1 ZINC000573311834 334926301 /nfs/dbraw/zinc/92/63/01/334926301.db2.gz RSIBYTZOWXPXKY-CQSZACIVSA-N 0 3 285.391 3.006 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H]1OC(F)F)c1cccc(C#N)c1 ZINC000337550367 214151230 /nfs/dbraw/zinc/15/12/30/214151230.db2.gz NXYXNWTWZILONC-GDLCADMTSA-N 0 3 280.318 3.369 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC(C2CC2)CC1 ZINC000590008678 346821548 /nfs/dbraw/zinc/82/15/48/346821548.db2.gz RGMISYYAHSJONS-UHFFFAOYSA-N 0 3 270.376 3.059 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nncn2-c2ccccc2)C1 ZINC000651676260 398267345 /nfs/dbraw/zinc/26/73/45/398267345.db2.gz UOPQPYVZIOZXMN-CABCVRRESA-N 0 3 282.391 3.102 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nccn2C(F)F)C1 ZINC000651689923 398269597 /nfs/dbraw/zinc/26/95/97/398269597.db2.gz JEDKONBRYREUQZ-QWRGUYRKSA-N 0 3 255.312 3.113 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cn3ccc(C)cc3n2)C1 ZINC000651705488 398271993 /nfs/dbraw/zinc/27/19/93/398271993.db2.gz UXPZGXFYENMHHG-GJZGRUSLSA-N 0 3 269.392 3.477 20 30 CGEDHN CC(C)c1cc(CNC2CCC(C)(C#N)CC2)on1 ZINC000590645252 346857938 /nfs/dbraw/zinc/85/79/38/346857938.db2.gz IWCGVIPECMCCIT-UHFFFAOYSA-N 0 3 261.369 3.360 20 30 CGEDHN CC[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000449238614 529430611 /nfs/dbraw/zinc/43/06/11/529430611.db2.gz GZFAPZDEHCKFSX-KWCYVHTRSA-N 0 3 276.355 3.306 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCc2c1cc(F)cc2F ZINC000591243321 346910859 /nfs/dbraw/zinc/91/08/59/346910859.db2.gz GLNSXQQVLZFDKB-CQSZACIVSA-N 0 3 264.319 3.482 20 30 CGEDHN CCc1cnccc1[C@@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000440632644 529677936 /nfs/dbraw/zinc/67/79/36/529677936.db2.gz CVEKNFIWZKYBPA-CYBMUJFWSA-N 0 3 295.386 3.375 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3cccnc3CC2)c(F)c1 ZINC000591531637 346928340 /nfs/dbraw/zinc/92/83/40/346928340.db2.gz VWEOGLKRLAPWDL-INIZCTEOSA-N 0 3 295.361 3.130 20 30 CGEDHN Cc1nc(CN)ccc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000591570980 346929257 /nfs/dbraw/zinc/92/92/57/346929257.db2.gz NQYHZHASJANZDI-QWHCGFSZSA-N 0 3 294.402 3.132 20 30 CGEDHN C=CCOCCNCc1csc(C(F)(F)F)c1 ZINC000623487599 349818271 /nfs/dbraw/zinc/81/82/71/349818271.db2.gz JLJAEFCOMNRQRO-UHFFFAOYSA-N 0 3 265.300 3.059 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCC[C@H]3CCOC3)CC2)cc1 ZINC000592089641 346962131 /nfs/dbraw/zinc/96/21/31/346962131.db2.gz HGNKWOSYWRNTBO-KRWDZBQOSA-N 0 3 296.414 3.464 20 30 CGEDHN CN(CCC(C)(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000592145009 346967152 /nfs/dbraw/zinc/96/71/52/346967152.db2.gz LTKZVDASHZHMNQ-INIZCTEOSA-N 0 3 299.418 3.032 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCCC2(F)F)o1 ZINC000295080031 199334141 /nfs/dbraw/zinc/33/41/41/199334141.db2.gz IFATXWMCGCTGOM-SNVBAGLBSA-N 0 3 254.280 3.066 20 30 CGEDHN Cc1ccc(C2(NCc3ccnc(C#N)c3)CCC2)cc1 ZINC000592189866 346970468 /nfs/dbraw/zinc/97/04/68/346970468.db2.gz YDDAJTYRGGZFDJ-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN N#Cc1csc(CN[C@@H](C2CCC2)C2CCCC2)n1 ZINC000592375953 346980370 /nfs/dbraw/zinc/98/03/70/346980370.db2.gz UILHICQPRWSBJM-OAHLLOKOSA-N 0 3 275.421 3.463 20 30 CGEDHN Cc1cc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)ccc1C#N ZINC000592374762 346980385 /nfs/dbraw/zinc/98/03/85/346980385.db2.gz HMHINCILCOEDMY-IYBDPMFKSA-N 0 3 272.392 3.302 20 30 CGEDHN CC[C@@H](NCc1ccc(CO)cc1)c1ccc(C#N)cc1 ZINC000592393179 346982278 /nfs/dbraw/zinc/98/22/78/346982278.db2.gz RKZJJFQLMHTDOF-GOSISDBHSA-N 0 3 280.371 3.291 20 30 CGEDHN CN(CCCC#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347466938 529878814 /nfs/dbraw/zinc/87/88/14/529878814.db2.gz DTKXIYRCKNBCDC-HZPDHXFCSA-N 0 3 272.392 3.468 20 30 CGEDHN N#Cc1ccc2ncc(CN3CCCC[C@H]3C3CCC3)n2c1 ZINC000592527129 346996275 /nfs/dbraw/zinc/99/62/75/346996275.db2.gz DHKVBOHDTSUQAV-KRWDZBQOSA-N 0 3 294.402 3.361 20 30 CGEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593013642 347027349 /nfs/dbraw/zinc/02/73/49/347027349.db2.gz LBDZGVOBIYIUJW-CYBMUJFWSA-N 0 3 287.363 3.479 20 30 CGEDHN Cc1cc(CN2CCC[C@@H](OC(C)C)C2)ccc1C#N ZINC000593054680 347033872 /nfs/dbraw/zinc/03/38/72/347033872.db2.gz YYUQFWNTQBZPOC-QGZVFWFLSA-N 0 3 272.392 3.256 20 30 CGEDHN C[C@@H](N[C@@H](C)COCC1CC1)c1ccc(C#N)cc1 ZINC000593183358 347048689 /nfs/dbraw/zinc/04/86/89/347048689.db2.gz UXJWFRDYHBXDOS-QWHCGFSZSA-N 0 3 258.365 3.024 20 30 CGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C1CCC1 ZINC000437881760 529984098 /nfs/dbraw/zinc/98/40/98/529984098.db2.gz MNVNNRHNVHRSHG-UHFFFAOYSA-N 0 3 266.291 3.144 20 30 CGEDHN CC[C@@H](C#N)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000593401417 347071678 /nfs/dbraw/zinc/07/16/78/347071678.db2.gz CXGCQTSHFJDRDZ-AWEZNQCLSA-N 0 3 273.380 3.017 20 30 CGEDHN CCN1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1 ZINC000034007797 344937260 /nfs/dbraw/zinc/93/72/60/344937260.db2.gz ZPGKCQHCPGWIES-UHFFFAOYSA-N 0 3 251.333 3.149 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000054993389 345142191 /nfs/dbraw/zinc/14/21/91/345142191.db2.gz VDFJKBSMUCEKJB-QGZVFWFLSA-N 0 3 286.419 3.248 20 30 CGEDHN C=C(C)CN(CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000060552346 345219175 /nfs/dbraw/zinc/21/91/75/345219175.db2.gz WMVKVLIITGRNBN-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN CC[C@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000075022026 345490464 /nfs/dbraw/zinc/49/04/64/345490464.db2.gz QJCJYTFAWUMZPF-HOTGVXAUSA-N 0 3 299.418 3.054 20 30 CGEDHN CC[C@@H]1C[C@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075021474 345491181 /nfs/dbraw/zinc/49/11/81/345491181.db2.gz JDYQQNABLKOCNL-SWLSCSKDSA-N 0 3 296.374 3.229 20 30 CGEDHN C[C@@H]1CCCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075744553 345520925 /nfs/dbraw/zinc/52/09/25/345520925.db2.gz CCTOLIHIDILALS-CYBMUJFWSA-N 0 3 296.374 3.373 20 30 CGEDHN CCC1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000077268129 345565697 /nfs/dbraw/zinc/56/56/97/345565697.db2.gz HGRYFILIXRCFOE-UHFFFAOYSA-N 0 3 288.391 3.068 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623990402 349937945 /nfs/dbraw/zinc/93/79/45/349937945.db2.gz BRDIOSCJRWNTRF-GDBMZVCRSA-N 0 3 293.455 3.047 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncccc2Cl)CC1 ZINC000088720937 345764023 /nfs/dbraw/zinc/76/40/23/345764023.db2.gz QCDZXHXZMJVSJG-UHFFFAOYSA-N 0 3 265.788 3.187 20 30 CGEDHN CC(C)N1CCC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000092626545 345848157 /nfs/dbraw/zinc/84/81/57/345848157.db2.gz SLGKBMZIOROPCQ-JTQLQIEISA-N 0 3 298.843 3.200 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](COCC)C1 ZINC000093838974 345889345 /nfs/dbraw/zinc/88/93/45/345889345.db2.gz MZILDDFAVTXAFT-OAHLLOKOSA-N 0 3 275.392 3.110 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1cccnc1 ZINC000165201603 346183787 /nfs/dbraw/zinc/18/37/87/346183787.db2.gz GNGPWWMCXGKNAY-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@@H]2CC)CC1 ZINC000172488342 346225170 /nfs/dbraw/zinc/22/51/70/346225170.db2.gz FHYVMUDJFCOKIJ-INIZCTEOSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CC(C)(C)CCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000624037183 349952731 /nfs/dbraw/zinc/95/27/31/349952731.db2.gz PFQRVYWDTAPYQA-CYBMUJFWSA-N 0 3 261.413 3.472 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cccc(C#N)n2)C1 ZINC000339217872 215020108 /nfs/dbraw/zinc/02/01/08/215020108.db2.gz LNPPMNFMYPODAS-YOEHRIQHSA-N 0 3 292.386 3.201 20 30 CGEDHN N#Cc1cccc(CNCc2cccc3c2CCC3)c1 ZINC000593587384 347092633 /nfs/dbraw/zinc/09/26/33/347092633.db2.gz FJHRSLSVWKFKJR-UHFFFAOYSA-N 0 3 262.356 3.337 20 30 CGEDHN C=CCCN(C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000343480322 346505964 /nfs/dbraw/zinc/50/59/64/346505964.db2.gz ZLSUPSNTAXCLHP-UHFFFAOYSA-N 0 3 269.772 3.365 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCO[C@@H](C)C1 ZINC000491147433 346627484 /nfs/dbraw/zinc/62/74/84/346627484.db2.gz RLHIMFNMTQKFHH-HOCLYGCPSA-N 0 3 275.367 3.076 20 30 CGEDHN C[C@H]1CC[C@]2(CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000584722476 346710182 /nfs/dbraw/zinc/71/01/82/346710182.db2.gz NZSRLNLORLGYHL-GUYCJALGSA-N 0 3 299.374 3.479 20 30 CGEDHN CN(CCCN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000584587867 346684996 /nfs/dbraw/zinc/68/49/96/346684996.db2.gz HDKSEPHHNSIYKP-UHFFFAOYSA-N 0 3 271.408 3.139 20 30 CGEDHN CSCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000589309183 346792843 /nfs/dbraw/zinc/79/28/43/346792843.db2.gz VICXSSZXMPFTON-UHFFFAOYSA-N 0 3 274.311 3.030 20 30 CGEDHN C[C@H]1CC[C@@H](CNC2(c3ccc(C#N)cc3)CCC2)O1 ZINC000594033419 347141246 /nfs/dbraw/zinc/14/12/46/347141246.db2.gz PRGHPLGORGEKQN-BBRMVZONSA-N 0 3 270.376 3.095 20 30 CGEDHN CC(C)OC(=O)C[C@H](NCc1cccc(C#N)c1)C(C)C ZINC000594039932 347142670 /nfs/dbraw/zinc/14/26/70/347142670.db2.gz CBYYJIXSIXWLAK-INIZCTEOSA-N 0 3 288.391 3.014 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CCCCO1 ZINC000594041050 347142689 /nfs/dbraw/zinc/14/26/89/347142689.db2.gz JDGNKKPZPRYMGV-HOTGVXAUSA-N 0 3 276.355 3.135 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@@H]1CCCCO1 ZINC000594042614 347143583 /nfs/dbraw/zinc/14/35/83/347143583.db2.gz LUGDRRIYIYVWDX-KGLIPLIRSA-N 0 3 264.394 3.057 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000594045104 347144030 /nfs/dbraw/zinc/14/40/30/347144030.db2.gz TZCDHCSGNYYVQE-CVEARBPZSA-N 0 3 276.355 3.135 20 30 CGEDHN C[C@@H]1CN(CCC(C)(C)C#N)CC2(CCCCC2)O1 ZINC000594057231 347146919 /nfs/dbraw/zinc/14/69/19/347146919.db2.gz BMHUZNRALOCBPQ-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCCCC#N)C1 ZINC000593967743 347125742 /nfs/dbraw/zinc/12/57/42/347125742.db2.gz XNLZYNONPINGRF-WBVHZDCISA-N 0 3 299.418 3.022 20 30 CGEDHN CC(C)CCC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594445704 347174678 /nfs/dbraw/zinc/17/46/78/347174678.db2.gz KKBGDNUTOIISPN-INIZCTEOSA-N 0 3 293.455 3.072 20 30 CGEDHN C[C@H](COCC1CC1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594510891 347183047 /nfs/dbraw/zinc/18/30/47/347183047.db2.gz MLRQXVNPQWXRJW-CQSZACIVSA-N 0 3 286.419 3.392 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000594518937 347188044 /nfs/dbraw/zinc/18/80/44/347188044.db2.gz RNZJJHWAQMAEGH-HDJSIYSDSA-N 0 3 276.355 3.133 20 30 CGEDHN CC(C)[C@H](O)[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000594992475 347251097 /nfs/dbraw/zinc/25/10/97/347251097.db2.gz SIMUJEIOGSDBMN-MOPGFXCFSA-N 0 3 294.398 3.406 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)s1 ZINC000594996057 347252345 /nfs/dbraw/zinc/25/23/45/347252345.db2.gz RFGMCWNCAHJCFO-ARFHVFGLSA-N 0 3 284.359 3.187 20 30 CGEDHN CC(C)N1CCCC[C@H]1CSc1ccncc1C#N ZINC000594908945 347227458 /nfs/dbraw/zinc/22/74/58/347227458.db2.gz PKIRYUHUDVLXIR-AWEZNQCLSA-N 0 3 275.421 3.308 20 30 CGEDHN N#CC1(c2ccc(CN[C@@H]3C[C@H]3c3ccco3)cc2)CC1 ZINC000594946301 347237659 /nfs/dbraw/zinc/23/76/59/347237659.db2.gz NEXNVGNDLBBTIQ-HZPDHXFCSA-N 0 3 278.355 3.480 20 30 CGEDHN C=CCCSCCNCc1ccc([N+](=O)[O-])cc1C ZINC000594959984 347241531 /nfs/dbraw/zinc/24/15/31/347241531.db2.gz HGSDTZUIQIAWQQ-UHFFFAOYSA-N 0 3 280.393 3.302 20 30 CGEDHN C=CCCSCCNCc1cnc2ccc(C)cn12 ZINC000594960838 347241801 /nfs/dbraw/zinc/24/18/01/347241801.db2.gz XDNXZICMBIVACC-UHFFFAOYSA-N 0 3 275.421 3.042 20 30 CGEDHN C=CCCSCCNCc1ccc(OC)cc1 ZINC000594960900 347242196 /nfs/dbraw/zinc/24/21/96/347242196.db2.gz ZYBXATPQMXPYBZ-UHFFFAOYSA-N 0 3 251.395 3.094 20 30 CGEDHN C=CCCSCCNCc1cc(F)c(OC)cc1OC ZINC000594967278 347244671 /nfs/dbraw/zinc/24/46/71/347244671.db2.gz KGUJTBLPEVAXQS-UHFFFAOYSA-N 0 3 299.411 3.242 20 30 CGEDHN COC(=O)C[C@@H]1CC[C@@H](NCC2(C#N)CCCCC2)[C@@H]1C ZINC000594981134 347247602 /nfs/dbraw/zinc/24/76/02/347247602.db2.gz HLVKKXFQNBWSAH-QLFBSQMISA-N 0 3 292.423 3.028 20 30 CGEDHN Cc1cc([C@H]2CCCN2CCc2ccc(C#N)cc2)on1 ZINC000595299168 347289171 /nfs/dbraw/zinc/28/91/71/347289171.db2.gz WZHKFSCGNWIIBS-MRXNPFEDSA-N 0 3 281.359 3.234 20 30 CGEDHN C=CCSCCN[C@H](C)c1cc2cnccc2o1 ZINC000595013456 347257534 /nfs/dbraw/zinc/25/75/34/347257534.db2.gz IJDVJHCOQYUPJN-LLVKDONJSA-N 0 3 262.378 3.398 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cc2cnccc2o1 ZINC000595055632 347270912 /nfs/dbraw/zinc/27/09/12/347270912.db2.gz YHWHZSQOKCSOMA-NSHDSACASA-N 0 3 255.321 3.172 20 30 CGEDHN CC[C@@H](COCC1CC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000595056424 347271601 /nfs/dbraw/zinc/27/16/01/347271601.db2.gz HEWGMSOSGSWIHJ-WMZOPIPTSA-N 0 3 284.403 3.340 20 30 CGEDHN C=CCCSCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000595060993 347274903 /nfs/dbraw/zinc/27/49/03/347274903.db2.gz WXUMBSNLTWCJKL-MRXNPFEDSA-N 0 3 272.417 3.444 20 30 CGEDHN CC[C@H](NCC1(C#N)CCCCC1)C1(C(=O)OC)CCC1 ZINC000595091077 347280232 /nfs/dbraw/zinc/28/02/32/347280232.db2.gz NAFOQCGGAITRNP-AWEZNQCLSA-N 0 3 292.423 3.172 20 30 CGEDHN COC[C@H](NCC1(C#N)CCCCC1)C1CCCC1 ZINC000595092226 347281278 /nfs/dbraw/zinc/28/12/78/347281278.db2.gz ZPZGIRSGGSLANX-HNNXBMFYSA-N 0 3 264.413 3.255 20 30 CGEDHN COc1cccc(C2(N[C@@H]3CC[C@H](C#N)C3)CCC2)c1 ZINC000595093518 347282260 /nfs/dbraw/zinc/28/22/60/347282260.db2.gz KTGJRTFAFWSRDX-DZGCQCFKSA-N 0 3 270.376 3.356 20 30 CGEDHN C[C@@H](O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000595103892 347284222 /nfs/dbraw/zinc/28/42/22/347284222.db2.gz OMXJMAJDGWTNQS-PMUMKWKESA-N 0 3 280.371 3.331 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(C(=O)OC)co1 ZINC000595602706 347324806 /nfs/dbraw/zinc/32/48/06/347324806.db2.gz JYDSGGHXOLWUNR-WFASDCNBSA-N 0 3 277.364 3.291 20 30 CGEDHN N#CC[C@@H]1CCCN(CCN2CCCc3ccccc32)C1 ZINC000595621046 347328607 /nfs/dbraw/zinc/32/86/07/347328607.db2.gz ROAHXVBPWNCVAW-INIZCTEOSA-N 0 3 283.419 3.065 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000595661391 347335141 /nfs/dbraw/zinc/33/51/41/347335141.db2.gz ZYUPLCPWZIFOBX-CYBMUJFWSA-N 0 3 277.364 3.163 20 30 CGEDHN N#Cc1cccc(C2(NCCC(F)(F)F)CCOCC2)c1 ZINC000595767529 347353665 /nfs/dbraw/zinc/35/36/65/347353665.db2.gz DCDCOABTMZHDLC-UHFFFAOYSA-N 0 3 298.308 3.106 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781893 347355111 /nfs/dbraw/zinc/35/51/11/347355111.db2.gz UZWWGIYCJHBSHK-RDBSUJKOSA-N 0 3 258.365 3.119 20 30 CGEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)CCC1(F)F ZINC000595490381 347311098 /nfs/dbraw/zinc/31/10/98/347311098.db2.gz QXQLZYLSLMLMDC-LBPRGKRZSA-N 0 3 264.319 3.078 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595838266 347364560 /nfs/dbraw/zinc/36/45/60/347364560.db2.gz ULHSQTHIJJEDKL-OAHLLOKOSA-N 0 3 299.374 3.479 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC000595842237 347366210 /nfs/dbraw/zinc/36/62/10/347366210.db2.gz QHMKMTWTJJEXLL-OKILXGFUSA-N 0 3 258.321 3.278 20 30 CGEDHN COCC1(NCc2ccc(C#N)cc2F)CCCCC1 ZINC000595911869 347371719 /nfs/dbraw/zinc/37/17/19/347371719.db2.gz SGXSETVRPBTWLB-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000596091042 347382589 /nfs/dbraw/zinc/38/25/89/347382589.db2.gz FXSXCHNSIDKVGC-LLVKDONJSA-N 0 3 295.308 3.226 20 30 CGEDHN CCCN1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000596518902 347473388 /nfs/dbraw/zinc/47/33/88/347473388.db2.gz ZCVWMTKPAGSEFG-CQSZACIVSA-N 0 3 286.423 3.147 20 30 CGEDHN N#Cc1ccc(NC[C@H]2CCN2Cc2ccccc2)cc1 ZINC000596551067 347478665 /nfs/dbraw/zinc/47/86/65/347478665.db2.gz BPOKJVOJYKIHQN-GOSISDBHSA-N 0 3 277.371 3.245 20 30 CGEDHN COC(=O)CC(C)(C)C[C@H](C)NCC1(C#N)CCCC1 ZINC000597157739 347541281 /nfs/dbraw/zinc/54/12/81/347541281.db2.gz JGWFTBLPNXLISD-ZDUSSCGKSA-N 0 3 280.412 3.028 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cscn1 ZINC000598014468 347617480 /nfs/dbraw/zinc/61/74/80/347617480.db2.gz GRKZLSOXJMSWHQ-GXTWGEPZSA-N 0 3 299.399 3.093 20 30 CGEDHN CC1(C)CC(NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000598505804 347663132 /nfs/dbraw/zinc/66/31/32/347663132.db2.gz YYZODAVAUJXFSI-CQSZACIVSA-N 0 3 270.376 3.064 20 30 CGEDHN CC(=O)N1CC[C@H](NCC(C)(C)CC#N)c2ccccc21 ZINC000598678968 347678101 /nfs/dbraw/zinc/67/81/01/347678101.db2.gz BPVMWYANKKXLAL-HNNXBMFYSA-N 0 3 285.391 3.014 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1C[C@H]1C1CC1 ZINC000598961850 347701105 /nfs/dbraw/zinc/70/11/05/347701105.db2.gz BFPUUVXBKNOKLU-LKTVYLICSA-N 0 3 258.340 3.222 20 30 CGEDHN N#CC1CCC(CN[C@H]2CCCc3scnc32)CC1 ZINC000599047152 347710371 /nfs/dbraw/zinc/71/03/71/347710371.db2.gz XTDCXIJGVVTVBD-BPCQOVAHSA-N 0 3 275.421 3.440 20 30 CGEDHN CC(C)CC[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000599067706 347713351 /nfs/dbraw/zinc/71/33/51/347713351.db2.gz HGEHKHGMYBVZPR-SWLSCSKDSA-N 0 3 278.371 3.145 20 30 CGEDHN CN(Cc1ccc(Cl)s1)C[C@@H](O)CC(C)(C)C#N ZINC000598584697 347666102 /nfs/dbraw/zinc/66/61/02/347666102.db2.gz SCSWPCAXINENFR-JTQLQIEISA-N 0 3 286.828 3.134 20 30 CGEDHN Cc1ccc([C@@H]2CCCCN2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598593515 347668482 /nfs/dbraw/zinc/66/84/82/347668482.db2.gz UHEIHSXTMKGUCS-GJZGRUSLSA-N 0 3 290.407 3.416 20 30 CGEDHN Cc1cc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)ccc1F ZINC000598602601 347670558 /nfs/dbraw/zinc/67/05/58/347670558.db2.gz UGNYPGBJWKRLRB-OCCSQVGLSA-N 0 3 278.371 3.086 20 30 CGEDHN CO[C@H](CN1CCc2c(CC#N)cccc2C1)C1CCCC1 ZINC000599679015 347765406 /nfs/dbraw/zinc/76/54/06/347765406.db2.gz VAWYZYUIHGQWIK-LJQANCHMSA-N 0 3 298.430 3.316 20 30 CGEDHN COC[C@@H](C)N(CCCC#N)[C@H]1CCc2ccccc21 ZINC000599683329 347765923 /nfs/dbraw/zinc/76/59/23/347765923.db2.gz RGSUBACYBSXJCU-PBHICJAKSA-N 0 3 272.392 3.315 20 30 CGEDHN Cc1ccc(CN(Cc2ccccc2)C[C@@H](C)O)cc1C#N ZINC000599298877 347733261 /nfs/dbraw/zinc/73/32/61/347733261.db2.gz AGPMCLRZOAVKJZ-MRXNPFEDSA-N 0 3 294.398 3.250 20 30 CGEDHN Cc1n[nH]cc1C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599405581 347742184 /nfs/dbraw/zinc/74/21/84/347742184.db2.gz ZWWLINXVLPEBDW-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN C=CCC1(NCc2ccc(C(=O)OC)cn2)CCCCC1 ZINC000599609929 347758062 /nfs/dbraw/zinc/75/80/62/347758062.db2.gz MWPAKSUXTCYMGQ-UHFFFAOYSA-N 0 3 288.391 3.237 20 30 CGEDHN N#CC1(CNCC2(O)CCC(c3ccccc3)CC2)CCC1 ZINC000600735135 347830777 /nfs/dbraw/zinc/83/07/77/347830777.db2.gz IDODUJBDDWXEAP-UHFFFAOYSA-N 0 3 298.430 3.359 20 30 CGEDHN N#CCCCNCc1ccccc1CC(F)(F)F ZINC000601113868 347870976 /nfs/dbraw/zinc/87/09/76/347870976.db2.gz RWGSBNSYQKSMCJ-UHFFFAOYSA-N 0 3 256.271 3.185 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3cccnc3c2)C1 ZINC000601292536 347889426 /nfs/dbraw/zinc/88/94/26/347889426.db2.gz QATDMQZXDTUSBW-XJKSGUPXSA-N 0 3 265.360 3.407 20 30 CGEDHN N#CC1(C[C@H](O)CN2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000601957935 347929341 /nfs/dbraw/zinc/92/93/41/347929341.db2.gz KICJXEDINLMTST-IRXDYDNUSA-N 0 3 296.414 3.268 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000602010583 347932781 /nfs/dbraw/zinc/93/27/81/347932781.db2.gz GGSGRJBLJIDUAJ-WDYCEAGBSA-N 0 3 292.357 3.373 20 30 CGEDHN CS[C@@H]1CCCC[C@H]1NCc1cccc(F)c1C#N ZINC000602021484 347934348 /nfs/dbraw/zinc/93/43/48/347934348.db2.gz VHXFTAFWIMANEG-HUUCEWRRSA-N 0 3 278.396 3.461 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCC12CC2 ZINC000601704341 347908378 /nfs/dbraw/zinc/90/83/78/347908378.db2.gz JPHZTUXXTSYDMO-HOTGVXAUSA-N 0 3 282.387 3.208 20 30 CGEDHN Cc1cccc(N2CCN(C[C@H](C)CCC#N)CC2)c1 ZINC000602430412 347956127 /nfs/dbraw/zinc/95/61/27/347956127.db2.gz MAAUJUJRARSHAW-MRXNPFEDSA-N 0 3 271.408 3.057 20 30 CGEDHN Cc1cccc(N2CCN(C[C@@H](C)CCC#N)CC2)c1 ZINC000602430411 347956565 /nfs/dbraw/zinc/95/65/65/347956565.db2.gz MAAUJUJRARSHAW-INIZCTEOSA-N 0 3 271.408 3.057 20 30 CGEDHN Cc1ccccc1CN1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602434829 347957454 /nfs/dbraw/zinc/95/74/54/347957454.db2.gz QPVCKECOYKHYFC-INIZCTEOSA-N 0 3 285.435 3.053 20 30 CGEDHN CO[C@](C)(CN(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000602442045 347958767 /nfs/dbraw/zinc/95/87/67/347958767.db2.gz RYKYEIGWHZXOOM-GOSISDBHSA-N 0 3 284.403 3.338 20 30 CGEDHN C[C@@H]1CCN(Cc2cccc(C#N)n2)[C@H]2CCCC[C@@H]12 ZINC000602444333 347959475 /nfs/dbraw/zinc/95/94/75/347959475.db2.gz GPAIOEFFZWMLBW-COXVUDFISA-N 0 3 269.392 3.354 20 30 CGEDHN C[C@H](CCC#N)CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000602475535 347965100 /nfs/dbraw/zinc/96/51/00/347965100.db2.gz KSXUJGRDBDKTBS-HLLBOEOZSA-N 0 3 272.392 3.388 20 30 CGEDHN CCS[C@H]1CCCC[C@H]1NCc1cccc(C#N)n1 ZINC000602566450 347983708 /nfs/dbraw/zinc/98/37/08/347983708.db2.gz YHKGPUXHKMMBOI-CABCVRRESA-N 0 3 275.421 3.107 20 30 CGEDHN C[C@@H](CCC#N)CN[C@H]1COc2c1cccc2Cl ZINC000602567710 347984371 /nfs/dbraw/zinc/98/43/71/347984371.db2.gz GEWCCIYGXQSQCW-GWCFXTLKSA-N 0 3 264.756 3.303 20 30 CGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1CC1(CC#N)CC1 ZINC000602780292 348027613 /nfs/dbraw/zinc/02/76/13/348027613.db2.gz GJCSQCVWNOVOHI-KRWDZBQOSA-N 0 3 297.446 3.277 20 30 CGEDHN CN(CC1(CC#N)CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000602777662 348027680 /nfs/dbraw/zinc/02/76/80/348027680.db2.gz JRCDXQJSFQVGFV-KRWDZBQOSA-N 0 3 283.419 3.281 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000602587988 347989623 /nfs/dbraw/zinc/98/96/23/347989623.db2.gz KOIBNPSRVXQOML-JKSUJKDBSA-N 0 3 255.365 3.012 20 30 CGEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CC1(F)F ZINC000602638709 347998436 /nfs/dbraw/zinc/99/84/36/347998436.db2.gz GFNZLDKFCGLZSM-QCZZGDTMSA-N 0 3 262.303 3.179 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(c2ccccc2F)C[C@@H]1C ZINC000602647536 348000669 /nfs/dbraw/zinc/00/06/69/348000669.db2.gz TYBAHHVSOOZGBA-CABCVRRESA-N 0 3 289.398 3.276 20 30 CGEDHN N#CCC1(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000602772820 348026526 /nfs/dbraw/zinc/02/65/26/348026526.db2.gz KUQDBFMJWOSAIS-CQSZACIVSA-N 0 3 284.359 3.246 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@H]1C ZINC000602769091 348026614 /nfs/dbraw/zinc/02/66/14/348026614.db2.gz MRSXVFOUCZJTFG-DZGCQCFKSA-N 0 3 290.363 3.008 20 30 CGEDHN COCc1cc(C#N)ccc1NC[C@H]1CCCCN1C1CC1 ZINC000603361856 348073883 /nfs/dbraw/zinc/07/38/83/348073883.db2.gz LNZJETZFZBKHFJ-QGZVFWFLSA-N 0 3 299.418 3.133 20 30 CGEDHN C[C@@H]1CN(CC/C=C\c2ccccc2)C[C@@H](C)N1CC#N ZINC000602848207 348036243 /nfs/dbraw/zinc/03/62/43/348036243.db2.gz FLXXFGSKXWHXRR-HJMWAZGYSA-N 0 3 283.419 3.008 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC(C)(C)CO1 ZINC000602844670 348036640 /nfs/dbraw/zinc/03/66/40/348036640.db2.gz FUBKMIJYKZYYBH-XJKSGUPXSA-N 0 3 272.392 3.366 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H](c2cccnc2)C1 ZINC000602854057 348037208 /nfs/dbraw/zinc/03/72/08/348037208.db2.gz MEGDPIDQDZFRLV-HNNXBMFYSA-N 0 3 257.381 3.201 20 30 CGEDHN Cc1ncccc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908455 348042631 /nfs/dbraw/zinc/04/26/31/348042631.db2.gz RFAYUYGYGPSRTK-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN CSC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000602919282 348044461 /nfs/dbraw/zinc/04/44/61/348044461.db2.gz DHIKBHUCIOAGHV-LBPRGKRZSA-N 0 3 260.406 3.447 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN[C@@H]1CCCn2nccc21 ZINC000603028205 348054683 /nfs/dbraw/zinc/05/46/83/348054683.db2.gz RNVABACIFBLKRE-MRXNPFEDSA-N 0 3 294.402 3.309 20 30 CGEDHN C=CCNC(=O)CN1CCCCC[C@@H]1c1cccc(C)c1 ZINC000605156972 348149466 /nfs/dbraw/zinc/14/94/66/348149466.db2.gz AXTUHIMHHQADFA-QGZVFWFLSA-N 0 3 286.419 3.214 20 30 CGEDHN C=CCCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000606898073 348205792 /nfs/dbraw/zinc/20/57/92/348205792.db2.gz DQLTVABMOOKNMB-ZDUSSCGKSA-N 0 3 273.298 3.079 20 30 CGEDHN CC#CCN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000607727513 348258377 /nfs/dbraw/zinc/25/83/77/348258377.db2.gz NSNOTUPZMJQGCD-CQSZACIVSA-N 0 3 257.377 3.319 20 30 CGEDHN C[C@H](CNc1ncc(C#N)cc1Cl)N1CCC[C@@H](C)C1 ZINC000608885919 348333877 /nfs/dbraw/zinc/33/38/77/348333877.db2.gz GUEWHRMLKQCWLF-VXGBXAGGSA-N 0 3 292.814 3.139 20 30 CGEDHN CC1CCC(N(Cc2ccnc(C#N)c2)C2CC2)CC1 ZINC000610992040 348415156 /nfs/dbraw/zinc/41/51/56/348415156.db2.gz QZJYETVNOHFMGR-UHFFFAOYSA-N 0 3 269.392 3.496 20 30 CGEDHN CCC[C@H](C)[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994542 348416055 /nfs/dbraw/zinc/41/60/55/348416055.db2.gz SYIPQSCAQHXVDC-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)(CCC#N)CN1CCOc2ccccc2C1 ZINC000611262811 348433577 /nfs/dbraw/zinc/43/35/77/348433577.db2.gz FKBPHKBYUXCPQY-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614178484 348655089 /nfs/dbraw/zinc/65/50/89/348655089.db2.gz FQICNVNCRUTTJE-HOTGVXAUSA-N 0 3 299.462 3.402 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CSCc3ccccc32)C1 ZINC000613666873 348626382 /nfs/dbraw/zinc/62/63/82/348626382.db2.gz SLGNBRLKWDAPKY-ZLDLUXBVSA-N 0 3 258.390 3.256 20 30 CGEDHN CCN1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1C ZINC000613886244 348638322 /nfs/dbraw/zinc/63/83/22/348638322.db2.gz UUBYZZGEYSFXSE-NSHDSACASA-N 0 3 297.324 3.107 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CS1 ZINC000617099136 348917710 /nfs/dbraw/zinc/91/77/10/348917710.db2.gz XEKSMUWZUUITTD-ZFWWWQNUSA-N 0 3 278.396 3.317 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000617783737 349012338 /nfs/dbraw/zinc/01/23/38/349012338.db2.gz GCHBSLFZMXVFHZ-HZPDHXFCSA-N 0 3 278.440 3.066 20 30 CGEDHN CSCCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358566997 233156884 /nfs/dbraw/zinc/15/68/84/233156884.db2.gz IQVQJMFHDBGMAO-LLVKDONJSA-N 0 3 266.385 3.491 20 30 CGEDHN CO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000358567491 233156954 /nfs/dbraw/zinc/15/69/54/233156954.db2.gz CQIZUVXPDRGXAZ-WKPIXPDZSA-N 0 3 276.355 3.161 20 30 CGEDHN C[C@H](NC[C@@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358568476 233157598 /nfs/dbraw/zinc/15/75/98/233157598.db2.gz LEHGNRJUSJQMGI-MBNYWOFBSA-N 0 3 276.355 3.163 20 30 CGEDHN CC[C@H](C)c1nc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000618578062 349110274 /nfs/dbraw/zinc/11/02/74/349110274.db2.gz YATMURZJVFYIPF-RVMXOQNASA-N 0 3 275.400 3.051 20 30 CGEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000618807003 349156705 /nfs/dbraw/zinc/15/67/05/349156705.db2.gz UNTLNPSCCYSRNY-SJCJKPOMSA-N 0 3 263.344 3.291 20 30 CGEDHN C[C@H](CCC#N)CN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000618887825 349175606 /nfs/dbraw/zinc/17/56/06/349175606.db2.gz KWSWDFMCSOMKBK-CABCVRRESA-N 0 3 291.464 3.367 20 30 CGEDHN N#Cc1ccc(CNCc2ccc(O)cc2)cc1Cl ZINC000619847263 349287673 /nfs/dbraw/zinc/28/76/73/349287673.db2.gz KIPDOVIPZGBJCQ-UHFFFAOYSA-N 0 3 272.735 3.207 20 30 CGEDHN COc1ccc([C@@H](C)[C@@H](C)NCC(C)(C)C#N)cc1OC ZINC000619428959 349248810 /nfs/dbraw/zinc/24/88/10/349248810.db2.gz VZFAUWSIZMRJOI-QWHCGFSZSA-N 0 3 290.407 3.335 20 30 CGEDHN COc1cc(CN2C3CCCC2CCC3)ccc1C#N ZINC000619674482 349269366 /nfs/dbraw/zinc/26/93/66/349269366.db2.gz JWYMPZMBCZSPJE-UHFFFAOYSA-N 0 3 270.376 3.474 20 30 CGEDHN C[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1nc(-c2ccccc2)no1 ZINC000619673369 349269881 /nfs/dbraw/zinc/26/98/81/349269881.db2.gz KIYQKNYCMUNHTN-NFAWXSAZSA-N 0 3 296.374 3.122 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]2C2CCC2)c(F)c1 ZINC000619753513 349281710 /nfs/dbraw/zinc/28/17/10/349281710.db2.gz GPRBOPZOFZZYPF-GDBMZVCRSA-N 0 3 258.340 3.366 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3[nH]cnc3c2)cc1Cl ZINC000619748965 349281847 /nfs/dbraw/zinc/28/18/47/349281847.db2.gz ULNVYSGAGTUUGU-UHFFFAOYSA-N 0 3 296.761 3.378 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3nc[nH]c3c2)cc1Cl ZINC000619748965 349281853 /nfs/dbraw/zinc/28/18/53/349281853.db2.gz ULNVYSGAGTUUGU-UHFFFAOYSA-N 0 3 296.761 3.378 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000620312954 349355629 /nfs/dbraw/zinc/35/56/29/349355629.db2.gz RUTMQQMTWXHANF-IXDOHACOSA-N 0 3 290.451 3.207 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657540 350193447 /nfs/dbraw/zinc/19/34/47/350193447.db2.gz VSSCGCWZROJHRT-CZUORRHYSA-N 0 3 281.346 3.081 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000625705205 350201123 /nfs/dbraw/zinc/20/11/23/350201123.db2.gz YOPFKKPKMDMMFZ-YJBOKZPZSA-N 0 3 298.430 3.078 20 30 CGEDHN C=CCC[C@H](O)CN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007739 350246006 /nfs/dbraw/zinc/24/60/06/350246006.db2.gz SCOPQZOXKSYXLR-HNNXBMFYSA-N 0 3 299.336 3.391 20 30 CGEDHN C=CCCCCCNCc1cnc2ccccc2n1 ZINC000628327310 350502759 /nfs/dbraw/zinc/50/27/59/350502759.db2.gz RVKKEOSEUHSYPB-UHFFFAOYSA-N 0 3 255.365 3.466 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2nc3ccccc3n2CC)C1 ZINC000628405656 350529355 /nfs/dbraw/zinc/52/93/55/350529355.db2.gz QQGSRBMABQNLQB-CQSZACIVSA-N 0 3 269.392 3.454 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2c(Br)cnn2C)C1 ZINC000631207887 350992465 /nfs/dbraw/zinc/99/24/65/350992465.db2.gz WKUJQPKBOAVNOX-QWRGUYRKSA-N 0 3 298.228 3.017 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000632517830 351203007 /nfs/dbraw/zinc/20/30/07/351203007.db2.gz SBWOJKJFGCCVNC-HOCLYGCPSA-N 0 3 286.419 3.150 20 30 CGEDHN C=C(C)CNCc1ccc(OC(F)F)c(OCC)c1 ZINC000122549813 187038165 /nfs/dbraw/zinc/03/81/65/187038165.db2.gz BPYFKISMEXGUSP-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN C#CCCCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000156296069 188254176 /nfs/dbraw/zinc/25/41/76/188254176.db2.gz VAVYLWFXVKJQQA-UHFFFAOYSA-N 0 3 298.386 3.028 20 30 CGEDHN N#Cc1ccc(CN(CCc2cncs2)C2CC2)cc1 ZINC000411188674 235035942 /nfs/dbraw/zinc/03/59/42/235035942.db2.gz DPBHSOYNQKFLCM-UHFFFAOYSA-N 0 3 283.400 3.222 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(F)(c3cccnc3)CC2)C1 ZINC000335065070 283067440 /nfs/dbraw/zinc/06/74/40/283067440.db2.gz MOGKFRLJQVJJTJ-ZFWWWQNUSA-N 0 3 273.355 3.034 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(F)cc1Cl ZINC000271862038 191373940 /nfs/dbraw/zinc/37/39/40/191373940.db2.gz ZNNPLTCYJPEKEI-ZYHUDNBSSA-N 0 3 271.763 3.457 20 30 CGEDHN C[C@H]1CCCN(C(C)(C)CNc2ncc(C#N)cc2F)C1 ZINC000413114987 235251452 /nfs/dbraw/zinc/25/14/52/235251452.db2.gz MYSKFNRGPBGYTC-LBPRGKRZSA-N 0 3 290.386 3.015 20 30 CGEDHN COCC[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000414187516 235357743 /nfs/dbraw/zinc/35/77/43/235357743.db2.gz DMJYYSFYDWRLCG-VXGBXAGGSA-N 0 3 264.344 3.021 20 30 CGEDHN N#Cc1ccc(CN2CCC(c3ccncc3)CC2)cc1 ZINC000191643337 283139303 /nfs/dbraw/zinc/13/93/03/283139303.db2.gz ZLFAEZCBKPXXII-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN Cc1cnc([C@@H](C)CNCc2ccc(C#N)cc2F)s1 ZINC000273524570 192187936 /nfs/dbraw/zinc/18/79/36/192187936.db2.gz TWJBHXYUCCFNEU-JTQLQIEISA-N 0 3 289.379 3.356 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2Cc2ccccc2)cc1F ZINC000421360815 235806206 /nfs/dbraw/zinc/80/62/06/235806206.db2.gz FTMDESFLSTZMSW-SJLPKXTDSA-N 0 3 280.346 3.418 20 30 CGEDHN C[C@H](NC[C@H]1NCCc2ccccc21)c1cccc(C#N)c1 ZINC000423415059 236067443 /nfs/dbraw/zinc/06/74/43/236067443.db2.gz DHAVVTHNKJUHPR-IFXJQAMLSA-N 0 3 291.398 3.096 20 30 CGEDHN C[C@H](CNc1c(C#N)cccc1C#N)N1CCCC[C@H]1C ZINC000436309477 237079248 /nfs/dbraw/zinc/07/92/48/237079248.db2.gz SGDWULPPPFSTAA-ZIAGYGMSSA-N 0 3 282.391 3.105 20 30 CGEDHN CO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000451829903 240367907 /nfs/dbraw/zinc/36/79/07/240367907.db2.gz BSLLUGJEIPTUIL-JKSUJKDBSA-N 0 3 288.366 3.087 20 30 CGEDHN CN(CCCc1ccccc1)Cc1ccc(C#N)o1 ZINC000179317085 189185700 /nfs/dbraw/zinc/18/57/00/189185700.db2.gz MWYQNPPWIBGRBX-UHFFFAOYSA-N 0 3 254.333 3.216 20 30 CGEDHN C[C@H]1CCCN(CCNc2cc(Cl)ccc2C#N)C1 ZINC000301528527 201049728 /nfs/dbraw/zinc/04/97/28/201049728.db2.gz OGZQVEUSGOOKPZ-LBPRGKRZSA-N 0 3 277.799 3.355 20 30 CGEDHN C[C@@H]1CCCN(CCNc2c(C#N)cnc3ccccc32)C1 ZINC000301508957 201036868 /nfs/dbraw/zinc/03/68/68/201036868.db2.gz HWQVRPOXAXYEOS-CQSZACIVSA-N 0 3 294.402 3.250 20 30 CGEDHN C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000119642314 370695315 /nfs/dbraw/zinc/69/53/15/370695315.db2.gz AEMXNNLRKJRIDV-YPMHNXCESA-N 0 3 276.355 3.306 20 30 CGEDHN C=CC[C@H](CO)NCc1cc(Cl)cc(Cl)c1OC ZINC000184277743 189382081 /nfs/dbraw/zinc/38/20/81/189382081.db2.gz HADSDUGJJHHKFU-LLVKDONJSA-N 0 3 290.190 3.029 20 30 CGEDHN COC1(CN(CCC#N)CC(C)C)CCCCC1 ZINC000692806605 799800711 /nfs/dbraw/zinc/80/07/11/799800711.db2.gz HFWJFHDYAIGSJH-UHFFFAOYSA-N 0 3 252.402 3.207 20 30 CGEDHN CC1=CCN(CCNc2cc(Cl)ccc2C#N)CC1 ZINC000302130481 201355454 /nfs/dbraw/zinc/35/54/54/201355454.db2.gz BBJFUKFNBPCIEX-UHFFFAOYSA-N 0 3 275.783 3.276 20 30 CGEDHN C[C@H]1C[C@H](Nc2cccc(Cl)c2C#N)CN1C1CC1 ZINC000450380215 239879120 /nfs/dbraw/zinc/87/91/20/239879120.db2.gz RBOLORNIPXUDFW-QWRGUYRKSA-N 0 3 275.783 3.249 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)cc1F ZINC000451963692 240387708 /nfs/dbraw/zinc/38/77/08/240387708.db2.gz HYGZDJAXDFWWGJ-MRXNPFEDSA-N 0 3 290.407 3.416 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1cccc(OC(C)C)c1 ZINC000120662436 370788602 /nfs/dbraw/zinc/78/86/02/370788602.db2.gz QOVWYFRHHFGYSZ-MRXNPFEDSA-N 0 3 277.408 3.233 20 30 CGEDHN CSCC[C@H](C)N(C)Cc1ccc(F)c(C#N)c1 ZINC000121271739 370846380 /nfs/dbraw/zinc/84/63/80/370846380.db2.gz MXDDHYFXGRXUIL-NSHDSACASA-N 0 3 266.385 3.271 20 30 CGEDHN C[C@@H]1CCC[C@@H](NCc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459415785 242101149 /nfs/dbraw/zinc/10/11/49/242101149.db2.gz XEZNIXPHVHACMK-TYNCELHUSA-N 0 3 287.363 3.381 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC000121635210 370882065 /nfs/dbraw/zinc/88/20/65/370882065.db2.gz NODBTMDMTISRLR-INIZCTEOSA-N 0 3 280.456 3.215 20 30 CGEDHN CCC[C@@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000574191909 334999645 /nfs/dbraw/zinc/99/96/45/334999645.db2.gz LWXFHXRLSVKQPJ-SJORKVTESA-N 0 3 269.392 3.431 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1CC#Cc1ccccc1 ZINC000124302634 370923621 /nfs/dbraw/zinc/92/36/21/370923621.db2.gz YJBPCLOUDRIIGR-FUHWJXTLSA-N 0 3 271.404 3.054 20 30 CGEDHN C=C[C@H](CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000124206229 370921767 /nfs/dbraw/zinc/92/17/67/370921767.db2.gz GWUADPXWYUGVJE-BFYDXBDKSA-N 0 3 298.430 3.088 20 30 CGEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000026466435 368859332 /nfs/dbraw/zinc/85/93/32/368859332.db2.gz ABGYQYIXZZINBK-CJNGLKHVSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N1CCOc1ccccc1C#N ZINC000034674272 368976621 /nfs/dbraw/zinc/97/66/21/368976621.db2.gz MKFGDCGNCTXIRS-ZIAGYGMSSA-N 0 3 258.365 3.200 20 30 CGEDHN Cc1nc(C)c([C@H](C)NCc2cccc(C#N)c2)s1 ZINC000040445739 369156902 /nfs/dbraw/zinc/15/69/02/369156902.db2.gz RMMGHQXTKLZVSQ-JTQLQIEISA-N 0 3 271.389 3.482 20 30 CGEDHN C[C@H](NC[C@@H](O)C1CCCCC1)c1ccc(C#N)cc1F ZINC000330777800 203222695 /nfs/dbraw/zinc/22/26/95/203222695.db2.gz ASWHOEBKYJQLOG-YVEFUNNKSA-N 0 3 290.382 3.289 20 30 CGEDHN N#Cc1cc(Cl)ccc1N1CCN(C2CCCC2)CC1 ZINC000052859777 369473813 /nfs/dbraw/zinc/47/38/13/369473813.db2.gz DGXYNDULVAGBLN-UHFFFAOYSA-N 0 3 289.810 3.276 20 30 CGEDHN CCN1CCC[C@H]1CNc1ccc(Cl)cc1C#N ZINC000052856888 369474036 /nfs/dbraw/zinc/47/40/36/369474036.db2.gz LULAEAFUTTYPNE-ZDUSSCGKSA-N 0 3 263.772 3.108 20 30 CGEDHN C=C(C)CNCc1cc(Br)cc2c1OCC2 ZINC000129170967 370977228 /nfs/dbraw/zinc/97/72/28/370977228.db2.gz KQQKJKYKCLJCJE-UHFFFAOYSA-N 0 3 282.181 3.050 20 30 CGEDHN C[C@@H](N[C@@H](C)CN1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271967876 296146581 /nfs/dbraw/zinc/14/65/81/296146581.db2.gz VZJFGPQZAMJJAV-UONOGXRCSA-N 0 3 289.398 3.222 20 30 CGEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1ccccn1 ZINC000060488081 369587916 /nfs/dbraw/zinc/58/79/16/369587916.db2.gz YQJKXGHSVUXQCK-LLVKDONJSA-N 0 3 268.341 3.122 20 30 CGEDHN C=CCOc1ccc(CN(C)CC(C)(C)OC)cc1OC ZINC000537725781 376198008 /nfs/dbraw/zinc/19/80/08/376198008.db2.gz XJEGSKATBCQVOG-UHFFFAOYSA-N 0 3 293.407 3.117 20 30 CGEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000075616293 369915554 /nfs/dbraw/zinc/91/55/54/369915554.db2.gz ZAHZDZKORYTGJJ-UHFFFAOYSA-N 0 3 296.374 3.373 20 30 CGEDHN C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CN1C1CC1 ZINC000090665831 370063572 /nfs/dbraw/zinc/06/35/72/370063572.db2.gz HKYXBIGXNVAWJD-HFTRVMKXSA-N 0 3 283.419 3.246 20 30 CGEDHN N#CCCCOc1cccc(CN2CCCCC2)c1 ZINC000092107066 370093663 /nfs/dbraw/zinc/09/36/63/370093663.db2.gz HSGQGWSJZKKFKE-UHFFFAOYSA-N 0 3 258.365 3.355 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(n2ccnc2)CC1 ZINC000092648623 370099232 /nfs/dbraw/zinc/09/92/32/370099232.db2.gz CDNDLTYPYDRQNE-UHFFFAOYSA-N 0 3 297.402 3.285 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1nc(C)cc(C)n1)C(C)C ZINC000097132023 370229407 /nfs/dbraw/zinc/22/94/07/370229407.db2.gz NLXIBFWHDCJHHZ-INIZCTEOSA-N 0 3 288.439 3.204 20 30 CGEDHN C=CCN(CCc1ccncc1)Cc1ccccc1 ZINC000097205827 370234088 /nfs/dbraw/zinc/23/40/88/370234088.db2.gz FZCDAPKQBCSYHR-UHFFFAOYSA-N 0 3 252.361 3.312 20 30 CGEDHN C=CCN(C)CCCc1cc(-c2ccccc2)no1 ZINC000101558858 370290126 /nfs/dbraw/zinc/29/01/26/370290126.db2.gz IAPZJUNWUOLAKX-UHFFFAOYSA-N 0 3 256.349 3.392 20 30 CGEDHN C[C@H](NC[C@H]1Cc2ccccc2O1)c1ccc(C#N)cc1F ZINC000512292977 245031702 /nfs/dbraw/zinc/03/17/02/245031702.db2.gz CPJAMSXBRRPJRQ-SWLSCSKDSA-N 0 3 296.345 3.352 20 30 CGEDHN CCC(C)(C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000512256349 245031028 /nfs/dbraw/zinc/03/10/28/245031028.db2.gz AVNQXYZZLQNQBM-UHFFFAOYSA-N 0 3 293.798 3.271 20 30 CGEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000512635088 245042642 /nfs/dbraw/zinc/04/26/42/245042642.db2.gz FSXZCRRHQNUEFW-OXUXUCFPSA-N 0 3 290.382 3.407 20 30 CGEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cccc(C#N)c1 ZINC000118850113 370629225 /nfs/dbraw/zinc/62/92/25/370629225.db2.gz WKCBDCMBNGMBTE-UNEWFSDZSA-N 0 3 297.402 3.150 20 30 CGEDHN CN(Cc1cccc(OCCCC#N)c1)[C@@H]1CCSC1 ZINC000130533599 371041366 /nfs/dbraw/zinc/04/13/66/371041366.db2.gz YWZKMMDEQLQVAH-OAHLLOKOSA-N 0 3 290.432 3.306 20 30 CGEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000130602631 371045466 /nfs/dbraw/zinc/04/54/66/371045466.db2.gz PKOYEBNKILLNKP-INIZCTEOSA-N 0 3 280.375 3.235 20 30 CGEDHN C=CCCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000132660386 371192511 /nfs/dbraw/zinc/19/25/11/371192511.db2.gz ZGCINBXXKCYIQB-MRXNPFEDSA-N 0 3 263.356 3.383 20 30 CGEDHN N#Cc1ccc(CNCCc2cccc3cccnc32)o1 ZINC000135142994 371393994 /nfs/dbraw/zinc/39/39/94/371393994.db2.gz BNQCZMHYPMTYPB-UHFFFAOYSA-N 0 3 277.327 3.032 20 30 CGEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1CCCCO1 ZINC000135139237 371394305 /nfs/dbraw/zinc/39/43/05/371394305.db2.gz DYYZYVUQBPCKRU-MRXNPFEDSA-N 0 3 286.419 3.489 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000135188512 371399640 /nfs/dbraw/zinc/39/96/40/371399640.db2.gz ANIZPIZXFVGNLN-CYBMUJFWSA-N 0 3 274.433 3.425 20 30 CGEDHN COc1ccc(CN2CC[C@@H](C(C)C)C2)cc1C#N ZINC000135410622 371423691 /nfs/dbraw/zinc/42/36/91/371423691.db2.gz MFUAMKZSPZSDGB-CQSZACIVSA-N 0 3 258.365 3.045 20 30 CGEDHN C=CCCCCCN(C)Cc1cnc2c(c1)c(C)nn2C ZINC000150896571 371546520 /nfs/dbraw/zinc/54/65/20/371546520.db2.gz CZQGMYURXNBNJD-UHFFFAOYSA-N 0 3 286.423 3.455 20 30 CGEDHN N#Cc1ccnc(NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000287489183 371664832 /nfs/dbraw/zinc/66/48/32/371664832.db2.gz YBLZSSLUIZMZGX-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN C#Cc1ccc(CN2CCC(OCC(C)C)CC2)cc1 ZINC000289013372 371748825 /nfs/dbraw/zinc/74/88/25/371748825.db2.gz FSNWKEKRFWRRLI-UHFFFAOYSA-N 0 3 271.404 3.305 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)C[C@H]1CC=CCC1 ZINC000344075469 217039385 /nfs/dbraw/zinc/03/93/85/217039385.db2.gz USPNGEOKIKUMMW-AWEZNQCLSA-N 0 3 270.376 3.355 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)c1ccccc1 ZINC000290351767 371970098 /nfs/dbraw/zinc/97/00/98/371970098.db2.gz QERQFNILXIJNIW-JCGVRSQUSA-N 0 3 298.361 3.470 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OC)c(OCC)c1 ZINC000158998574 372097208 /nfs/dbraw/zinc/09/72/08/372097208.db2.gz QAZLFXPFVMGUMH-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C=CCN(CCOC)Cc1ccc2nc(C)sc2c1 ZINC000426369266 372154285 /nfs/dbraw/zinc/15/42/85/372154285.db2.gz GTUUUYRGEIIMIZ-UHFFFAOYSA-N 0 3 276.405 3.239 20 30 CGEDHN C=CCCCCCCCCNC(=O)Cc1nc[nH]c1C ZINC000291602649 372171190 /nfs/dbraw/zinc/17/11/90/372171190.db2.gz AFUHQCLORZCEAU-UHFFFAOYSA-N 0 3 277.412 3.294 20 30 CGEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000429044257 372309246 /nfs/dbraw/zinc/30/92/46/372309246.db2.gz JFRWXXHXKQKWDB-UHFFFAOYSA-N 0 3 278.783 3.343 20 30 CGEDHN Cn1cccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430623616 372392264 /nfs/dbraw/zinc/39/22/64/372392264.db2.gz HMESWKGJFFERBR-JTQLQIEISA-N 0 3 287.388 3.269 20 30 CGEDHN N#CCC1(CN[C@H]2CCCc3cc(F)ccc32)CC1 ZINC000430724386 372392302 /nfs/dbraw/zinc/39/23/02/372392302.db2.gz NTXFZOHOONFYPZ-HNNXBMFYSA-N 0 3 258.340 3.487 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccccc1N(C)C ZINC000430726577 372394218 /nfs/dbraw/zinc/39/42/18/372394218.db2.gz VMOYKWKDQHJBIN-ZDUSSCGKSA-N 0 3 257.381 3.097 20 30 CGEDHN C#Cc1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000293534068 372404829 /nfs/dbraw/zinc/40/48/29/372404829.db2.gz CEDASXWHWAPHFZ-SFHVURJKSA-N 0 3 281.399 3.059 20 30 CGEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@H]1CCCOC1 ZINC000162909159 372433632 /nfs/dbraw/zinc/43/36/32/372433632.db2.gz FQJSPQURRCSTSF-CYBMUJFWSA-N 0 3 278.783 3.070 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccccc1 ZINC000433116515 372581468 /nfs/dbraw/zinc/58/14/68/372581468.db2.gz MHWIPWRCSZJNIZ-GOSISDBHSA-N 0 3 292.382 3.118 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433307511 372588689 /nfs/dbraw/zinc/58/86/89/372588689.db2.gz VPSSLFGXABPSTN-ZBFHGGJFSA-N 0 3 279.811 3.456 20 30 CGEDHN C[C@@H](NCc1cc(C#N)cs1)[C@H]1COc2ccccc21 ZINC000169108123 372625161 /nfs/dbraw/zinc/62/51/61/372625161.db2.gz ZIMQRSFCRJJMAR-IAQYHMDHSA-N 0 3 284.384 3.274 20 30 CGEDHN CN(CCC#N)c1ccc(CNCc2cccc(O)c2)cc1 ZINC000171134321 372718766 /nfs/dbraw/zinc/71/87/66/372718766.db2.gz PKLDRDLYPKEDOL-UHFFFAOYSA-N 0 3 295.386 3.032 20 30 CGEDHN C[C@H](C1CC1)N(Cc1ccc(F)cc1C#N)C1CC1 ZINC000171376938 372747591 /nfs/dbraw/zinc/74/75/91/372747591.db2.gz WOPBPIHVDMUESL-LLVKDONJSA-N 0 3 258.340 3.460 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000436393227 372833547 /nfs/dbraw/zinc/83/35/47/372833547.db2.gz UGDYPSASKWHQEV-UHFFFAOYSA-N 0 3 276.355 3.115 20 30 CGEDHN C=CCOc1ccc(CN(CCO)C2CCC2)cc1Cl ZINC000439794541 372981049 /nfs/dbraw/zinc/98/10/49/372981049.db2.gz SIGXXYBEYXVORG-UHFFFAOYSA-N 0 3 295.810 3.252 20 30 CGEDHN C=CCN(CCC(=O)N1CCC[C@H]1C)Cc1cccs1 ZINC000438797306 372970486 /nfs/dbraw/zinc/97/04/86/372970486.db2.gz YNNGBBBLODKDQB-CQSZACIVSA-N 0 3 292.448 3.137 20 30 CGEDHN CCOCc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442712489 373066821 /nfs/dbraw/zinc/06/68/21/373066821.db2.gz GPQZFBRHQPRVNM-CVEARBPZSA-N 0 3 258.365 3.005 20 30 CGEDHN COc1cc(CN[C@H]2CC[C@H](C#N)C2)c2ccccc2n1 ZINC000442764873 373075709 /nfs/dbraw/zinc/07/57/09/373075709.db2.gz IGVHMFNRAIMNSN-JSGCOSHPSA-N 0 3 281.359 3.025 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc(Cl)cc2)C1 ZINC000442785129 373081469 /nfs/dbraw/zinc/08/14/69/373081469.db2.gz WUYODFFRWFCJLH-WCQYABFASA-N 0 3 264.756 3.001 20 30 CGEDHN CO[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000442786483 373081571 /nfs/dbraw/zinc/08/15/71/373081571.db2.gz BUQGTVLZLOMTHG-BYCMXARLSA-N 0 3 278.783 3.309 20 30 CGEDHN CO[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000442786484 373082736 /nfs/dbraw/zinc/08/27/36/373082736.db2.gz BUQGTVLZLOMTHG-KCPJHIHWSA-N 0 3 278.783 3.309 20 30 CGEDHN C=CCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000173528099 373152754 /nfs/dbraw/zinc/15/27/54/373152754.db2.gz YRGHDAARQAQFDW-MRXNPFEDSA-N 0 3 286.419 3.076 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCC1CCC1 ZINC000442896752 373125220 /nfs/dbraw/zinc/12/52/20/373125220.db2.gz IEHBJPFOZJSREH-AWEZNQCLSA-N 0 3 272.392 3.368 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000444624444 373214381 /nfs/dbraw/zinc/21/43/81/373214381.db2.gz LYBVKMBMUNLUQZ-NWDGAFQWSA-N 0 3 292.345 3.094 20 30 CGEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000444676932 373232670 /nfs/dbraw/zinc/23/26/70/373232670.db2.gz OTSJVLSYWZJDRH-WBVHZDCISA-N 0 3 299.418 3.397 20 30 CGEDHN Cc1ccc(C[C@H](C)NCc2ccc(C#N)o2)c(C)c1 ZINC000174372513 373301698 /nfs/dbraw/zinc/30/16/98/373301698.db2.gz JWSZMULWZRWITO-AWEZNQCLSA-N 0 3 268.360 3.489 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)[C@@H]1SC ZINC000298538247 373350589 /nfs/dbraw/zinc/35/05/89/373350589.db2.gz STGKXRAWPCIBGF-CAPXZKIUSA-N 0 3 290.432 3.118 20 30 CGEDHN CC(C)(C)C(C)(C)CNCc1nc(C#N)cs1 ZINC000353612499 220189334 /nfs/dbraw/zinc/18/93/34/220189334.db2.gz JOFWUXURELIRCB-UHFFFAOYSA-N 0 3 251.399 3.177 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2cccnc2)C2CC2)C1 ZINC000447588177 373459169 /nfs/dbraw/zinc/45/91/69/373459169.db2.gz SQNRLUXSXSMHIG-WQVCFCJDSA-N 0 3 255.365 3.205 20 30 CGEDHN CN1CCCC(C)(C)[C@H]1CNc1ccc(F)cc1C#N ZINC000447803657 373493252 /nfs/dbraw/zinc/49/32/52/373493252.db2.gz BDHMHEXYIKBZCM-OAHLLOKOSA-N 0 3 275.371 3.230 20 30 CGEDHN C=CCC1(C(=O)N(C)CCN2CCCC2)CCCCC1 ZINC000448904073 373648135 /nfs/dbraw/zinc/64/81/35/373648135.db2.gz MRGGKFCLGCEKDN-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN COc1cc(CN2CC[C@@H](C)C[C@H]2C)ccc1C#N ZINC000300116011 373620519 /nfs/dbraw/zinc/62/05/19/373620519.db2.gz LIDCSDKMMZAIJW-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN CC[C@@H]1CCCCN1CCNc1cccc(F)c1C#N ZINC000301249284 373710658 /nfs/dbraw/zinc/71/06/58/373710658.db2.gz IOLCVVOLRMHODI-CYBMUJFWSA-N 0 3 275.371 3.374 20 30 CGEDHN N#Cc1cccnc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000301111497 373664732 /nfs/dbraw/zinc/66/47/32/373664732.db2.gz YWFRVPHUQTVUTH-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nnc2n1CCC2 ZINC000449228856 373673314 /nfs/dbraw/zinc/67/33/14/373673314.db2.gz WLAMDEQNARWFOZ-OLZOCXBDSA-N 0 3 262.401 3.010 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(F)cc1C#N)c1ccccc1 ZINC000301365045 373760319 /nfs/dbraw/zinc/76/03/19/373760319.db2.gz PTZKRIJEGJTOJG-KRWDZBQOSA-N 0 3 283.350 3.412 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(-c2ccncc2)c1 ZINC000449523206 373821779 /nfs/dbraw/zinc/82/17/79/373821779.db2.gz WVHNGDHGLQUSKP-MSOLQXFVSA-N 0 3 280.371 3.182 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc2c1OC(C)(C)C2 ZINC000449548614 373829991 /nfs/dbraw/zinc/82/99/91/373829991.db2.gz OZDZFBPYWQZWDD-CVEARBPZSA-N 0 3 287.403 3.223 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000449734756 373861343 /nfs/dbraw/zinc/86/13/43/373861343.db2.gz DHHGWFAXBJSRNX-ZFWWWQNUSA-N 0 3 278.396 3.317 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC000179778524 373917163 /nfs/dbraw/zinc/91/71/63/373917163.db2.gz YFNWXAWZMCLVRK-GJZGRUSLSA-N 0 3 266.429 3.110 20 30 CGEDHN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000180537325 374018762 /nfs/dbraw/zinc/01/87/62/374018762.db2.gz YNBRHFREWJAGNF-CHWSQXEVSA-N 0 3 298.390 3.043 20 30 CGEDHN C=CCCC[C@H](C)N1CCC(O)(C(F)(F)F)CC1 ZINC000305789810 374111033 /nfs/dbraw/zinc/11/10/33/374111033.db2.gz ZOENLOLBRMOLOT-NSHDSACASA-N 0 3 265.319 3.120 20 30 CGEDHN C[C@H](NC[C@]1(C)CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000305807931 374115442 /nfs/dbraw/zinc/11/54/42/374115442.db2.gz HKSUTBRDUVINPV-ZLIFDBKOSA-N 0 3 290.382 3.289 20 30 CGEDHN C[C@@H](N[C@@H](CO)CC(C)(C)C)c1ccc(C#N)cc1F ZINC000305822320 374117657 /nfs/dbraw/zinc/11/76/57/374117657.db2.gz PIPJAAUUBPFVMM-DGCLKSJQSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H](NC[C@H](C#N)CCC#N)C(C)(C)c1ccccc1 ZINC000181773320 374169751 /nfs/dbraw/zinc/16/97/51/374169751.db2.gz MWGZYWQOBNTHKJ-CABCVRRESA-N 0 3 269.392 3.386 20 30 CGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1cccc(C#N)c1 ZINC000182031480 374207349 /nfs/dbraw/zinc/20/73/49/374207349.db2.gz QOTUXRCCHWFGBB-LJQANCHMSA-N 0 3 294.398 3.248 20 30 CGEDHN CCN(CCCCC1CCOCC1)C[C@@H](C)C#N ZINC000310664483 374219732 /nfs/dbraw/zinc/21/97/32/374219732.db2.gz YOVSOWKHGDCUGQ-AWEZNQCLSA-N 0 3 252.402 3.065 20 30 CGEDHN N#Cc1cc(F)ccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309595278 374189910 /nfs/dbraw/zinc/18/99/10/374189910.db2.gz WUPHWVCVNYYPBK-KRWDZBQOSA-N 0 3 295.361 3.384 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000182881180 374339172 /nfs/dbraw/zinc/33/91/72/374339172.db2.gz DOBCJIKMCJLTGZ-INIZCTEOSA-N 0 3 286.419 3.155 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C(C)(C)C)C1 ZINC000317696654 374339978 /nfs/dbraw/zinc/33/99/78/374339978.db2.gz CQRFFOSHUXSJAI-ZFWWWQNUSA-N 0 3 299.418 3.253 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCOCC2(CCC2)C1 ZINC000334140419 206049711 /nfs/dbraw/zinc/04/97/11/206049711.db2.gz GCQSJPJCTVEKMO-CQSZACIVSA-N 0 3 270.376 3.122 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000183283760 374396220 /nfs/dbraw/zinc/39/62/20/374396220.db2.gz YPWMUHYCMDSPGW-YGRLFVJLSA-N 0 3 255.308 3.207 20 30 CGEDHN C[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332706752 374588697 /nfs/dbraw/zinc/58/86/97/374588697.db2.gz YAFSATDRMFCURW-SWLSCSKDSA-N 0 3 296.374 3.277 20 30 CGEDHN COc1cc(CN[C@@H]2CCC[C@H](C#N)C2)c2ccccc2n1 ZINC000185845771 374750100 /nfs/dbraw/zinc/75/01/00/374750100.db2.gz ZJLMQPZSVUFITA-DZGCQCFKSA-N 0 3 295.386 3.415 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccccc1C(F)(F)F ZINC000186695177 374900363 /nfs/dbraw/zinc/90/03/63/374900363.db2.gz WHWGQEOVYJNNGP-MNOVXSKESA-N 0 3 273.298 3.293 20 30 CGEDHN CC(C)[C@H]1C[C@@H](NC(=O)C(C)C#N)c2ccccc21 ZINC000468739441 374983405 /nfs/dbraw/zinc/98/34/05/374983405.db2.gz QVSPSOCIRDGZHO-NILFDRSVSA-N 0 3 256.349 3.147 20 30 CGEDHN C=C(C)COCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000469084743 374986626 /nfs/dbraw/zinc/98/66/26/374986626.db2.gz TUYCKNFEKSZCBI-NTEUORMPSA-N 0 3 290.363 3.180 20 30 CGEDHN C=C(C)COCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000469084892 374986691 /nfs/dbraw/zinc/98/66/91/374986691.db2.gz TUYCKNFEKSZCBI-ZROIWOOFSA-N 0 3 290.363 3.180 20 30 CGEDHN CCC(CC)[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000469588981 374990128 /nfs/dbraw/zinc/99/01/28/374990128.db2.gz OSPCTWRIOCOLPD-IUODEOHRSA-N 0 3 258.365 3.440 20 30 CGEDHN CC(C#N)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000470218522 374995537 /nfs/dbraw/zinc/99/55/37/374995537.db2.gz FRJIUFDIQOTRFL-WDEREUQCSA-N 0 3 298.308 3.475 20 30 CGEDHN C[C@@H]1CCCCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000334778752 375032130 /nfs/dbraw/zinc/03/21/30/375032130.db2.gz GECGOBAYBYJBAJ-PBHICJAKSA-N 0 3 295.386 3.032 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1CCCC ZINC000473175770 375045047 /nfs/dbraw/zinc/04/50/47/375045047.db2.gz PKIAMBPUEUSXMZ-WBVHZDCISA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)[C@H](NC(=O)CN(C)CCC)c1ccc(F)c(F)c1 ZINC000478914867 375149593 /nfs/dbraw/zinc/14/95/93/375149593.db2.gz ZGDPBWLUQDMTAD-INIZCTEOSA-N 0 3 296.361 3.040 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](COC)CC(C)C ZINC000482887742 375172473 /nfs/dbraw/zinc/17/24/73/375172473.db2.gz IYZFAIKBDWDTIM-INIZCTEOSA-N 0 3 277.408 3.402 20 30 CGEDHN C[C@@H](CO)N(CC#Cc1ccccc1Cl)CC1CCC1 ZINC000483144944 375175748 /nfs/dbraw/zinc/17/57/48/375175748.db2.gz SQJJYCHMZCEYJD-AWEZNQCLSA-N 0 3 291.822 3.174 20 30 CGEDHN CCCCC[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000486798482 375197712 /nfs/dbraw/zinc/19/77/12/375197712.db2.gz CPPFELQFEUHZQO-DOTOQJQBSA-N 0 3 293.455 3.086 20 30 CGEDHN N#Cc1csc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000335827246 375463667 /nfs/dbraw/zinc/46/36/67/375463667.db2.gz DWTTXCBHLZIBPW-OAHLLOKOSA-N 0 3 288.416 3.011 20 30 CGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(Cl)c1 ZINC000189577912 375415266 /nfs/dbraw/zinc/41/52/66/375415266.db2.gz IDHXYUPZHBTTDI-LLVKDONJSA-N 0 3 273.767 3.401 20 30 CGEDHN C[C@@H]1N(Cc2ccc(F)c(C#N)c2)CCC12CCOCC2 ZINC000335816542 375454252 /nfs/dbraw/zinc/45/42/52/375454252.db2.gz SQXAGDFDKSVUKS-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@@H](NC1CCSCC1)c1ccc(C#N)cc1F ZINC000335912029 375535983 /nfs/dbraw/zinc/53/59/83/375535983.db2.gz JJPYXUOSLWCEHS-SNVBAGLBSA-N 0 3 264.369 3.244 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000494589332 375490180 /nfs/dbraw/zinc/49/01/80/375490180.db2.gz IDIBYFTXLUKIJZ-ZDUSSCGKSA-N 0 3 274.364 3.260 20 30 CGEDHN C[C@@H]1CC[C@@](CO)(N(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000495247362 375499997 /nfs/dbraw/zinc/49/99/97/375499997.db2.gz NDPZFKWGBOLRFJ-RHSMWYFYSA-N 0 3 291.822 3.174 20 30 CGEDHN N#Cc1ccc(CN(C[C@H](O)C2CCCCC2)C2CC2)cc1 ZINC000190460532 375512580 /nfs/dbraw/zinc/51/25/80/375512580.db2.gz OJAIKWKOEXXERJ-IBGZPJMESA-N 0 3 298.430 3.464 20 30 CGEDHN Cn1cc(CN2CCC(c3ccccc3)CC2)cc1C#N ZINC000191208274 375594344 /nfs/dbraw/zinc/59/43/44/375594344.db2.gz JPPRJMRYWJDQET-UHFFFAOYSA-N 0 3 279.387 3.276 20 30 CGEDHN CC(C(=O)Nc1cc(C#N)c2ccccc2n1)C(F)(F)F ZINC000335994443 375601625 /nfs/dbraw/zinc/60/16/25/375601625.db2.gz MOHKWLRABHSHPZ-MRVPVSSYSA-N 0 3 293.248 3.243 20 30 CGEDHN FC(F)O[C@@H]1CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000503525602 375651052 /nfs/dbraw/zinc/65/10/52/375651052.db2.gz HUGOPGAUEHWZAN-ZIAGYGMSSA-N 0 3 299.748 3.441 20 30 CGEDHN CCCn1ccnc1CCCN(C)Cc1ccccc1C#N ZINC000191476567 375633675 /nfs/dbraw/zinc/63/36/75/375633675.db2.gz KRRUIIQGKBODLM-UHFFFAOYSA-N 0 3 296.418 3.229 20 30 CGEDHN CCCO[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192015719 375690074 /nfs/dbraw/zinc/69/00/74/375690074.db2.gz VMQIFSNLWIEIQD-INIZCTEOSA-N 0 3 290.382 3.478 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1CC#Cc1ccc(F)cc1 ZINC000512463188 375796739 /nfs/dbraw/zinc/79/67/39/375796739.db2.gz OZPNVIZYENDREM-YJBOKZPZSA-N 0 3 289.394 3.193 20 30 CGEDHN C=CCCCCCN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000193528631 375890448 /nfs/dbraw/zinc/89/04/48/375890448.db2.gz OXYRQWWMXJOBCO-INIZCTEOSA-N 0 3 295.448 3.108 20 30 CGEDHN COCCC1CCN([C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000527935144 375895081 /nfs/dbraw/zinc/89/50/81/375895081.db2.gz KJFXNACYFQKQOZ-GOSISDBHSA-N 0 3 284.403 3.294 20 30 CGEDHN C=C(C)CCN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528597312 375906348 /nfs/dbraw/zinc/90/63/48/375906348.db2.gz LMOHROCXYHGCBT-UHFFFAOYSA-N 0 3 259.397 3.098 20 30 CGEDHN COC[C@H](NCCCCC#N)c1ccc(Cl)cc1 ZINC000193665717 375907475 /nfs/dbraw/zinc/90/74/75/375907475.db2.gz DNOUHCHMISRRNM-AWEZNQCLSA-N 0 3 266.772 3.311 20 30 CGEDHN CCN(CC)CCSc1nc(C)c(C#N)cc1Cl ZINC000336785995 375936736 /nfs/dbraw/zinc/93/67/36/375936736.db2.gz AWXLTUGDKMDVRA-UHFFFAOYSA-N 0 3 283.828 3.349 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](CC(C)C)c2cccs2)C1=O ZINC000337180198 376118971 /nfs/dbraw/zinc/11/89/71/376118971.db2.gz AJXKVUUWDPIJME-KBPBESRZSA-N 0 3 292.448 3.212 20 30 CGEDHN CC(C)OC[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000337253193 376168254 /nfs/dbraw/zinc/16/82/54/376168254.db2.gz LMSVRKYAYGXUOL-GDBMZVCRSA-N 0 3 260.381 3.435 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000338011220 376253210 /nfs/dbraw/zinc/25/32/10/376253210.db2.gz IDRFZULVMRNNLC-WBIUFABUSA-N 0 3 274.339 3.103 20 30 CGEDHN CC[C@@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000233909717 376607729 /nfs/dbraw/zinc/60/77/29/376607729.db2.gz MOVPZOCISGXPRO-OAHLLOKOSA-N 0 3 258.365 3.331 20 30 CGEDHN CCN(C[C@@H](C)C#N)C[C@@H]1CCc2ccccc2C1 ZINC000542917122 376592214 /nfs/dbraw/zinc/59/22/14/376592214.db2.gz UUUPFKQMLKASDW-LSDHHAIUSA-N 0 3 256.393 3.273 20 30 CGEDHN C[C@@H](CNc1cccc(F)c1C#N)N1CCCC[C@@H]1C ZINC000339003902 376623788 /nfs/dbraw/zinc/62/37/88/376623788.db2.gz SKRLQUJCPKVFSW-STQMWFEESA-N 0 3 275.371 3.372 20 30 CGEDHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1C#N ZINC000234938688 376625058 /nfs/dbraw/zinc/62/50/58/376625058.db2.gz IYCSYTFVQJQBNU-ZDUSSCGKSA-N 0 3 266.344 3.418 20 30 CGEDHN CCOc1c(CNCCCCC#N)c(C)nn1CC(C)C ZINC000237011149 376724772 /nfs/dbraw/zinc/72/47/72/376724772.db2.gz QSCKPQGKPSOPMS-UHFFFAOYSA-N 0 3 292.427 3.030 20 30 CGEDHN C=CCOCCN1CCC[C@@H](OCc2ccccc2F)C1 ZINC000339139477 376705454 /nfs/dbraw/zinc/70/54/54/376705454.db2.gz GCEIIISYNHTRMT-MRXNPFEDSA-N 0 3 293.382 3.009 20 30 CGEDHN Cc1ccc(CNCCOc2ccc(C#N)cc2)cc1F ZINC000237738540 376760343 /nfs/dbraw/zinc/76/03/43/376760343.db2.gz OUAVKMZTBDKFTA-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1cccc(C#N)n1)C(C)C ZINC000339220990 376737934 /nfs/dbraw/zinc/73/79/34/376737934.db2.gz WOAJEDAKGMBBPC-MRXNPFEDSA-N 0 3 284.407 3.064 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](CC3CC3)C2)c1F ZINC000339675235 376801606 /nfs/dbraw/zinc/80/16/06/376801606.db2.gz NSNIUKYMAGJVKY-CYBMUJFWSA-N 0 3 258.340 3.319 20 30 CGEDHN N#CC(C(=O)c1ccc(SC2CC2)cc1)c1ccncn1 ZINC000545446922 376822287 /nfs/dbraw/zinc/82/22/87/376822287.db2.gz ZZJZEFDWFOKPQJ-CQSZACIVSA-N 0 3 295.367 3.221 20 30 CGEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(C#N)cc1 ZINC000245465407 376824937 /nfs/dbraw/zinc/82/49/37/376824937.db2.gz YLTXAGUZWTVASP-UKPHBRMFSA-N 0 3 297.402 3.150 20 30 CGEDHN CC#CCCN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000554830615 376853148 /nfs/dbraw/zinc/85/31/48/376853148.db2.gz OKWCICVCQOKDTB-UHFFFAOYSA-N 0 3 286.394 3.066 20 30 CGEDHN CN1CC[C@@H](NCc2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000245649865 376873926 /nfs/dbraw/zinc/87/39/26/376873926.db2.gz MQCCAJPRLJYLJR-IAGOWNOFSA-N 0 3 297.427 3.155 20 30 CGEDHN C=CCC[C@H](NC[C@H](CO)Cc1ccco1)c1ccco1 ZINC000556859299 376892955 /nfs/dbraw/zinc/89/29/55/376892955.db2.gz SEFCFWKDVAEAMW-ZBFHGGJFSA-N 0 3 289.375 3.321 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000247230162 377180424 /nfs/dbraw/zinc/18/04/24/377180424.db2.gz DCLVGXGKQNKJRM-HUUCEWRRSA-N 0 3 298.496 3.017 20 30 CGEDHN C=CCCCCN1CCC(Oc2ncccc2F)CC1 ZINC000562534377 377326977 /nfs/dbraw/zinc/32/69/77/377326977.db2.gz LWDCYVHAMGGOAG-UHFFFAOYSA-N 0 3 278.371 3.420 20 30 CGEDHN COc1cc(CN[C@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000562303680 377292179 /nfs/dbraw/zinc/29/21/79/377292179.db2.gz JWDPVMCMUGEUDN-JQWIXIFHSA-N 0 3 296.317 3.078 20 30 CGEDHN N#CCCC1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000563069805 377396934 /nfs/dbraw/zinc/39/69/34/377396934.db2.gz YYSWXWQYDWZRMN-UHFFFAOYSA-N 0 3 288.366 3.414 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCNc1ncc(C#N)cc1Cl ZINC000341103761 377399528 /nfs/dbraw/zinc/39/95/28/377399528.db2.gz OELWSAWHLRRMHB-TXEJJXNPSA-N 0 3 292.814 3.281 20 30 CGEDHN COc1cc(C)ccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000567663049 377508520 /nfs/dbraw/zinc/50/85/20/377508520.db2.gz XLIVRZJJDHHBAV-MELADBBJSA-N 0 3 258.365 3.347 20 30 CGEDHN C=CCN(CCc1ccco1)CCc1cccc(C)n1 ZINC000568388654 377518359 /nfs/dbraw/zinc/51/83/59/377518359.db2.gz MDMHEGCGUKWVJD-UHFFFAOYSA-N 0 3 270.376 3.256 20 30 CGEDHN CN(CCCNCc1cc(C#N)cs1)c1ccccc1 ZINC000093492096 249038014 /nfs/dbraw/zinc/03/80/14/249038014.db2.gz HQOYNSONHYSLNV-UHFFFAOYSA-N 0 3 285.416 3.236 20 30 CGEDHN Cc1cc(F)ccc1CCNCc1ccc(C#N)cc1F ZINC000094954845 249043736 /nfs/dbraw/zinc/04/37/36/249043736.db2.gz QSRNXSIDHYDTHR-UHFFFAOYSA-N 0 3 286.325 3.477 20 30 CGEDHN CC[C@H]1CN(C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000569788625 377529479 /nfs/dbraw/zinc/52/94/79/377529479.db2.gz MSRYGFHOXFWUKN-INIZCTEOSA-N 0 3 285.435 3.014 20 30 CGEDHN C[C@@H](NCc1ccc2[nH]cnc2c1)c1ccc(C#N)cc1 ZINC000518779216 249286868 /nfs/dbraw/zinc/28/68/68/249286868.db2.gz FYAOTQMEMIHOSK-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN C[C@@H](NCc1ccc2nc[nH]c2c1)c1ccc(C#N)cc1 ZINC000518779216 249286870 /nfs/dbraw/zinc/28/68/70/249286870.db2.gz FYAOTQMEMIHOSK-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(SCCOC)cc1 ZINC000341742867 377615910 /nfs/dbraw/zinc/61/59/10/377615910.db2.gz IUKJKHSTRBWPPR-CYBMUJFWSA-N 0 3 263.406 3.099 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccc(F)cc2)c(F)c1 ZINC000343155835 377915348 /nfs/dbraw/zinc/91/53/48/377915348.db2.gz WDXOXRDNAZOYJD-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN COc1cc(CN(C)Cc2ccc(CC#N)cc2)ccc1O ZINC000343418387 377975704 /nfs/dbraw/zinc/97/57/04/377975704.db2.gz OFYIRACOQIIETR-UHFFFAOYSA-N 0 3 296.370 3.099 20 30 CGEDHN C=CCCN(C)Cc1ccc(Br)cc1OC ZINC000343435456 377978611 /nfs/dbraw/zinc/97/86/11/377978611.db2.gz BPNTXAVJVUAIQU-UHFFFAOYSA-N 0 3 284.197 3.466 20 30 CGEDHN C=CCCN(C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000343451400 377984027 /nfs/dbraw/zinc/98/40/27/377984027.db2.gz YLKYNCGDDLTVRY-UHFFFAOYSA-N 0 3 259.328 3.019 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000268564477 378074852 /nfs/dbraw/zinc/07/48/52/378074852.db2.gz PUUAXFFPHWKLPV-OCCSQVGLSA-N 0 3 280.437 3.088 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1sc(CC)nc1C ZINC000268577283 378076093 /nfs/dbraw/zinc/07/60/93/378076093.db2.gz SDVQTELOMUXGFA-OLZOCXBDSA-N 0 3 282.453 3.334 20 30 CGEDHN C[C@@H]1c2ccccc2CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268630019 378082866 /nfs/dbraw/zinc/08/28/66/378082866.db2.gz BLCJEMJXKWKSRM-AUUYWEPGSA-N 0 3 292.382 3.211 20 30 CGEDHN COC[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000268818453 378121290 /nfs/dbraw/zinc/12/12/90/378121290.db2.gz QYUZTYJBDMTYOW-KXBFYZLASA-N 0 3 294.398 3.467 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CC=CCC1 ZINC000344026184 378155469 /nfs/dbraw/zinc/15/54/69/378155469.db2.gz BKSJRAQZIUFFFV-CVEARBPZSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCCCCCN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000579251920 378144674 /nfs/dbraw/zinc/14/46/74/378144674.db2.gz NHUNKEGYKLUPHO-OAHLLOKOSA-N 0 3 294.826 3.072 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000268680571 378089853 /nfs/dbraw/zinc/08/98/53/378089853.db2.gz WYVYAIKNDOEBJS-DGCLKSJQSA-N 0 3 269.335 3.285 20 30 CGEDHN C=CCCC[C@H](C)NCc1cn(-c2ccccc2C)nn1 ZINC000579398988 378157210 /nfs/dbraw/zinc/15/72/10/378157210.db2.gz LQNZAZRNKMJBCF-HNNXBMFYSA-N 0 3 284.407 3.410 20 30 CGEDHN Cc1c([C@H](C)NCCCCC#N)nnn1-c1ccc(C)cc1 ZINC000268951254 378159963 /nfs/dbraw/zinc/15/99/63/378159963.db2.gz XTGYPHFFWJYYHU-AWEZNQCLSA-N 0 3 297.406 3.229 20 30 CGEDHN C[C@H](O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000268950401 378159998 /nfs/dbraw/zinc/15/99/98/378159998.db2.gz FBFRVTAMBWIMHC-AWEZNQCLSA-N 0 3 286.419 3.081 20 30 CGEDHN CCO[C@@H]1C[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000580868418 378263879 /nfs/dbraw/zinc/26/38/79/378263879.db2.gz XOBMNLMUOWJLTR-GVDBMIGSSA-N 0 3 270.376 3.093 20 30 CGEDHN CN(CCCCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000580273202 378236020 /nfs/dbraw/zinc/23/60/20/378236020.db2.gz HUZXAOYGKUPGLB-UHFFFAOYSA-N 0 3 279.387 3.408 20 30 CGEDHN C#Cc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000269642185 378247360 /nfs/dbraw/zinc/24/73/60/378247360.db2.gz SHLZONMWCNDUIK-KRWDZBQOSA-N 0 3 282.387 3.013 20 30 CGEDHN N#Cc1ccc(CN(CCc2cccc(F)c2)C2CC2)nc1 ZINC000583915512 378358601 /nfs/dbraw/zinc/35/86/01/378358601.db2.gz GUVCNSGJWMGVPZ-UHFFFAOYSA-N 0 3 295.361 3.299 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618742679 378410773 /nfs/dbraw/zinc/41/07/73/378410773.db2.gz OYTPKXXUXWVPST-MRXNPFEDSA-N 0 3 279.368 3.269 20 30 CGEDHN CCC(CC)(CO)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271943823 378525390 /nfs/dbraw/zinc/52/53/90/378525390.db2.gz MTSJOHFURZOVIX-LBPRGKRZSA-N 0 3 278.371 3.147 20 30 CGEDHN CCOC1CC(N[C@@H](CCC#N)c2ccccc2)C1 ZINC000271765072 378504118 /nfs/dbraw/zinc/50/41/18/378504118.db2.gz DCNBRCSNXVPPAS-GPANFISMSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@H](NC[C@@]1(C)CCCC[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000271927935 378519571 /nfs/dbraw/zinc/51/95/71/378519571.db2.gz HCYCLKAJXVSADS-JCURWCKSSA-N 0 3 290.382 3.289 20 30 CGEDHN C=CCN1CCC(Nc2nc(C)nc(Cl)c2CC)CC1 ZINC000266177585 190237858 /nfs/dbraw/zinc/23/78/58/190237858.db2.gz AESBGLIWVLBDLQ-UHFFFAOYSA-N 0 3 294.830 3.063 20 30 CGEDHN C=CCOCCCN(C)Cc1ccc(F)cc1C ZINC000348166589 378819230 /nfs/dbraw/zinc/81/92/30/378819230.db2.gz HDRXPUZSTHUFJC-UHFFFAOYSA-N 0 3 251.345 3.159 20 30 CGEDHN COC(=O)c1coc([C@@H](C)NCC(C)(C)CCC#N)c1 ZINC000348243605 378860309 /nfs/dbraw/zinc/86/03/09/378860309.db2.gz LUBILFHPPWWEDD-LLVKDONJSA-N 0 3 278.352 3.047 20 30 CGEDHN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccc(C#N)cc1 ZINC000348256393 378869202 /nfs/dbraw/zinc/86/92/02/378869202.db2.gz MKGVCQXFSTXMJC-RWMBFGLXSA-N 0 3 250.292 3.253 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)C[C@H]1NCc2ccccc21 ZINC000638867062 378941176 /nfs/dbraw/zinc/94/11/76/378941176.db2.gz ZEBWYRMBXNUTNA-MRXNPFEDSA-N 0 3 286.419 3.330 20 30 CGEDHN CN(C)CCN(Cc1ccc(C#N)o1)CC1CCCCC1 ZINC000349071052 379153301 /nfs/dbraw/zinc/15/33/01/379153301.db2.gz FINJOMHRCOJDIK-UHFFFAOYSA-N 0 3 289.423 3.095 20 30 CGEDHN COc1ccc(OC(F)F)c(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000349786466 379383400 /nfs/dbraw/zinc/38/34/00/379383400.db2.gz IAMAYCOQLCKLDN-PWSUYJOCSA-N 0 3 296.317 3.078 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1cccc2c1CCOC2 ZINC000639616542 379508933 /nfs/dbraw/zinc/50/89/33/379508933.db2.gz JALCTFJYVNVGIK-INIZCTEOSA-N 0 3 257.377 3.300 20 30 CGEDHN C=CCCN[C@@H](C)c1ccc(Br)cn1 ZINC000280320329 379676386 /nfs/dbraw/zinc/67/63/86/379676386.db2.gz HAOCYVDKTODCTD-VIFPVBQESA-N 0 3 255.159 3.071 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nn(CC)c2ccccc12 ZINC000280629344 379750477 /nfs/dbraw/zinc/75/04/77/379750477.db2.gz LVXAAQGCEOJZKE-KBXCAEBGSA-N 0 3 299.418 3.127 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000280751524 379780936 /nfs/dbraw/zinc/78/09/36/379780936.db2.gz XWCAWBBEMULVLX-SMKXDYDZSA-N 0 3 275.392 3.474 20 30 CGEDHN C=CCCCCCn1cc(CCN2CCCCC2)nn1 ZINC000641044136 379914829 /nfs/dbraw/zinc/91/48/29/379914829.db2.gz GIYRFKGSCWKPIN-UHFFFAOYSA-N 0 3 276.428 3.053 20 30 CGEDHN N#CC1(CCN2CCN(C3CCC3)CC2)CCCCC1 ZINC000411262191 380135861 /nfs/dbraw/zinc/13/58/61/380135861.db2.gz BUPZGCSRXKXMMU-UHFFFAOYSA-N 0 3 275.440 3.021 20 30 CGEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CCC2)cc1 ZINC000353087603 380108682 /nfs/dbraw/zinc/10/86/82/380108682.db2.gz OKDGUCHFDVHYLJ-UHFFFAOYSA-N 0 3 268.282 3.380 20 30 CGEDHN C[C@H](CCC#N)N1CCC(OCCc2ccccc2)CC1 ZINC000411197269 380133843 /nfs/dbraw/zinc/13/38/43/380133843.db2.gz KKHJIZHNGXIEBO-MRXNPFEDSA-N 0 3 286.419 3.402 20 30 CGEDHN C=CCC[C@@H](NCCC(C)(C)S(C)(=O)=O)c1ccco1 ZINC000414258038 380205883 /nfs/dbraw/zinc/20/58/83/380205883.db2.gz LKGUXSGDLNLCQM-CYBMUJFWSA-N 0 3 299.436 3.090 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOC1CCCC1)CC2 ZINC000353261190 380194895 /nfs/dbraw/zinc/19/48/95/380194895.db2.gz CLFHPSLPZHZHKN-KRWDZBQOSA-N 0 3 270.376 3.094 20 30 CGEDHN C=C[C@H](CO)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000353580704 380212795 /nfs/dbraw/zinc/21/27/95/380212795.db2.gz XHAFLEJTFNOIDD-PELKAZGASA-N 0 3 272.175 3.117 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1nnc(C2CC2)s1 ZINC000414335182 380214247 /nfs/dbraw/zinc/21/42/47/380214247.db2.gz YASXIJHDEATLLM-UWVGGRQHSA-N 0 3 251.399 3.106 20 30 CGEDHN CCNc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000354101837 380325583 /nfs/dbraw/zinc/32/55/83/380325583.db2.gz WTBBTEMXSBRFOE-MRVPVSSYSA-N 0 3 285.269 3.127 20 30 CGEDHN Cc1cc(CNCC(C)(C)OCC2CC2)ccc1C#N ZINC000414503375 380280255 /nfs/dbraw/zinc/28/02/55/380280255.db2.gz LRVSYUAXHHQLJW-UHFFFAOYSA-N 0 3 272.392 3.162 20 30 CGEDHN CC#CCCNCc1ccccc1OCc1ccccn1 ZINC000354179384 380355555 /nfs/dbraw/zinc/35/55/55/380355555.db2.gz NHOHGHQIVAWNAD-UHFFFAOYSA-N 0 3 280.371 3.164 20 30 CGEDHN CC(C)COc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354469464 380452052 /nfs/dbraw/zinc/45/20/52/380452052.db2.gz QXJTYWMJTKKEJI-OAHLLOKOSA-N 0 3 295.342 3.001 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415667501 380512718 /nfs/dbraw/zinc/51/27/18/380512718.db2.gz AQZKZZSXUCRKGB-UONOGXRCSA-N 0 3 287.407 3.019 20 30 CGEDHN CC(C)OC[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000418149920 380714322 /nfs/dbraw/zinc/71/43/22/380714322.db2.gz VIUBEETZWVHWEX-GUYCJALGSA-N 0 3 272.392 3.339 20 30 CGEDHN CO[C@@H](CC(C)C)CN(C)Cc1cccc(C#N)c1 ZINC000419184694 380775922 /nfs/dbraw/zinc/77/59/22/380775922.db2.gz DCWJOQBYHOFZPX-INIZCTEOSA-N 0 3 260.381 3.051 20 30 CGEDHN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1CCC(C)(C)C#N ZINC000420936383 380864344 /nfs/dbraw/zinc/86/43/44/380864344.db2.gz ZLTAACVMMAPKCA-ZIAGYGMSSA-N 0 3 294.439 3.368 20 30 CGEDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCC(C)(C)C#N)C1 ZINC000421024315 380870005 /nfs/dbraw/zinc/87/00/05/380870005.db2.gz PXKPZXWMUVYVBQ-ZIAGYGMSSA-N 0 3 294.439 3.226 20 30 CGEDHN Cc1csc([C@@H](C)CNCc2ccc(C#N)c(F)c2)n1 ZINC000421347086 380887923 /nfs/dbraw/zinc/88/79/23/380887923.db2.gz UILYTEYYFQVRQM-JTQLQIEISA-N 0 3 289.379 3.356 20 30 CGEDHN CN1CCN(Cc2ccc(C#N)c(F)c2)c2ccccc2C1 ZINC000421358787 380894839 /nfs/dbraw/zinc/89/48/39/380894839.db2.gz UTSHERAZXILUCV-UHFFFAOYSA-N 0 3 295.361 3.149 20 30 CGEDHN C=CCN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000357527344 381196387 /nfs/dbraw/zinc/19/63/87/381196387.db2.gz JIKZRCKCNZFMNZ-OAHLLOKOSA-N 0 3 299.336 3.259 20 30 CGEDHN C=CCOc1ccc(CNCCC(C)(F)F)cc1 ZINC000357712064 381261769 /nfs/dbraw/zinc/26/17/69/381261769.db2.gz BEZFWCBZPAYIDY-UHFFFAOYSA-N 0 3 255.308 3.386 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000358284130 381300433 /nfs/dbraw/zinc/30/04/33/381300433.db2.gz HIFWGGJECVUYMJ-GHMZBOCLSA-N 0 3 253.415 3.352 20 30 CGEDHN C=CCN(CCC(=O)Nc1cccnc1)Cc1ccccc1 ZINC000358312207 381303881 /nfs/dbraw/zinc/30/38/81/381303881.db2.gz RNRXGMKCSDVTIP-UHFFFAOYSA-N 0 3 295.386 3.098 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CCC1 ZINC000358497078 381312085 /nfs/dbraw/zinc/31/20/85/381312085.db2.gz NTKUKAZXZRNLII-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN CC(C)[C@H]1N(Cc2cccc(C#N)c2)CC12CCOCC2 ZINC000334823308 207139658 /nfs/dbraw/zinc/13/96/58/207139658.db2.gz BRLSSMULHYZSRH-QGZVFWFLSA-N 0 3 284.403 3.195 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000360115292 381452071 /nfs/dbraw/zinc/45/20/71/381452071.db2.gz LLJNPNOADROJHK-STQMWFEESA-N 0 3 291.826 3.126 20 30 CGEDHN Cn1cc(CN2CCCC3(CCCC3)C2)cc1C#N ZINC000361608031 381836672 /nfs/dbraw/zinc/83/66/72/381836672.db2.gz DVTIFWLOSDQTJF-UHFFFAOYSA-N 0 3 257.381 3.053 20 30 CGEDHN COc1cc(CN2CC[C@H](CC(C)C)C2)ccc1C#N ZINC000307772471 542422775 /nfs/dbraw/zinc/42/27/75/542422775.db2.gz IHQURJHTNXDSGI-OAHLLOKOSA-N 0 3 272.392 3.435 20 30 CGEDHN COCCCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358573207 533233102 /nfs/dbraw/zinc/23/31/02/533233102.db2.gz RBFIFHGIUQGKBD-LBPRGKRZSA-N 0 3 264.344 3.165 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC(C)(C)C[C@H]1C ZINC000412047585 533493880 /nfs/dbraw/zinc/49/38/80/533493880.db2.gz SQHKZMCDMMYKMB-GFCCVEGCSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H]1CCC[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000093509188 392236886 /nfs/dbraw/zinc/23/68/86/392236886.db2.gz UZLYGOLTOFVYBD-UONOGXRCSA-N 0 3 282.391 3.216 20 30 CGEDHN C=CCSCCNCc1nn(CC)c2ccccc12 ZINC000225339996 130809215 /nfs/dbraw/zinc/80/92/15/130809215.db2.gz KEMHEDIDJFCYSX-UHFFFAOYSA-N 0 3 275.421 3.065 20 30 CGEDHN C=C(C)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000284797660 392316257 /nfs/dbraw/zinc/31/62/57/392316257.db2.gz OJFZRXJTTKCTFG-CYBMUJFWSA-N 0 3 281.197 3.461 20 30 CGEDHN C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282394286 392290753 /nfs/dbraw/zinc/29/07/53/392290753.db2.gz HCSJBJJUWUQGID-OWLYRPNTSA-N 0 3 298.430 3.088 20 30 CGEDHN C=CCc1cc(CN[C@H]2CSC2(C)C)cc(OC)c1O ZINC000282904713 392297550 /nfs/dbraw/zinc/29/75/50/392297550.db2.gz UOCYNPHBYBDXLX-AWEZNQCLSA-N 0 3 293.432 3.113 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCCOC2)cc1Cl ZINC000237696496 131053108 /nfs/dbraw/zinc/05/31/08/131053108.db2.gz IGEXJAAZPIVLIM-CYBMUJFWSA-N 0 3 281.783 3.173 20 30 CGEDHN C#C[C@H](NCc1ccc(Oc2cnccn2)cc1)C(C)(C)C ZINC000289249104 392417454 /nfs/dbraw/zinc/41/74/54/392417454.db2.gz AXGWDPSUEVUPIY-INIZCTEOSA-N 0 3 295.386 3.406 20 30 CGEDHN C=C(C)COc1cc(CN(C)C[C@H](C)OC)ccc1OC ZINC000289612026 392425823 /nfs/dbraw/zinc/42/58/23/392425823.db2.gz LGNVJOUNTYCSSQ-AWEZNQCLSA-N 0 3 293.407 3.117 20 30 CGEDHN C=CCC[C@@H](O)CN(CC=C)Cc1ccc(OC)cc1 ZINC000123511174 392428455 /nfs/dbraw/zinc/42/84/55/392428455.db2.gz WEBHZERCEVAABZ-MRXNPFEDSA-N 0 3 275.392 3.010 20 30 CGEDHN C#Cc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000290043261 392440176 /nfs/dbraw/zinc/44/01/76/392440176.db2.gz JDSGCTKBNYUSJP-MRXNPFEDSA-N 0 3 251.329 3.428 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ccncn2)C1 ZINC000365415800 392444623 /nfs/dbraw/zinc/44/46/23/392444623.db2.gz YOADBLGKFHSGIB-RHSMWYFYSA-N 0 3 292.386 3.289 20 30 CGEDHN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CCCCC#N ZINC000374143155 392669676 /nfs/dbraw/zinc/66/96/76/392669676.db2.gz RMGSGJSFCLFCMK-HOTGVXAUSA-N 0 3 292.423 3.124 20 30 CGEDHN C[C@@H](c1cccc(O)c1)N(C)CCCSCC#N ZINC000174157787 392637111 /nfs/dbraw/zinc/63/71/11/392637111.db2.gz QNEMVRVTCUWIBK-LBPRGKRZSA-N 0 3 264.394 3.032 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181460876 392730636 /nfs/dbraw/zinc/73/06/36/392730636.db2.gz ABQNINGDNZDQQP-RDJZCZTQSA-N 0 3 291.822 3.174 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)C[C@@H]1CCCC[C@@H]1O ZINC000181467836 392731842 /nfs/dbraw/zinc/73/18/42/392731842.db2.gz VVVGENHSJNNJLE-RDJZCZTQSA-N 0 3 291.822 3.174 20 30 CGEDHN Cc1ccc(C#N)c(N[C@H](C)CN(C)Cc2ccccc2)n1 ZINC000180347308 392709278 /nfs/dbraw/zinc/70/92/78/392709278.db2.gz DLKCXUXCANUWMW-OAHLLOKOSA-N 0 3 294.402 3.194 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000334313856 392718726 /nfs/dbraw/zinc/71/87/26/392718726.db2.gz OELQOPKDOJNYOB-CMPLNLGQSA-N 0 3 296.292 3.181 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cc(C)ccc2F)n1 ZINC000334343945 392722558 /nfs/dbraw/zinc/72/25/58/392722558.db2.gz MVRMGPUXEZAOGW-SNVBAGLBSA-N 0 3 289.335 3.145 20 30 CGEDHN Cc1ccc(CN(CCO)Cc2ccc(C#N)cc2C)cc1 ZINC000186326025 392782060 /nfs/dbraw/zinc/78/20/60/392782060.db2.gz SDBPYCZLUNZDIK-UHFFFAOYSA-N 0 3 294.398 3.170 20 30 CGEDHN C=CCOc1ccccc1CNCCN(C)c1ccccc1 ZINC000518770594 392871781 /nfs/dbraw/zinc/87/17/81/392871781.db2.gz VBDDKMXGCRLWAY-UHFFFAOYSA-N 0 3 296.414 3.477 20 30 CGEDHN C=CCCCCNCc1cc(C(=O)OC)c(CC)o1 ZINC000338932598 392935671 /nfs/dbraw/zinc/93/56/71/392935671.db2.gz DLQSNULPRKTXSZ-UHFFFAOYSA-N 0 3 265.353 3.075 20 30 CGEDHN C=CCOCCN(Cc1ccc(OCC)cc1)C(C)C ZINC000338937845 392935694 /nfs/dbraw/zinc/93/56/94/392935694.db2.gz GMORENKNTJRLOM-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CCOCCN(Cc1ccc(F)cc1)CC1CC1 ZINC000338995764 392939291 /nfs/dbraw/zinc/93/92/91/392939291.db2.gz IKMFGMPUUMKMGX-UHFFFAOYSA-N 0 3 263.356 3.240 20 30 CGEDHN CN(CC[C@@H]1CCCO1)CCC1(C#N)CCCCC1 ZINC000411625951 392981724 /nfs/dbraw/zinc/98/17/24/392981724.db2.gz VMSGXBFFOMNKRF-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000411688034 392984786 /nfs/dbraw/zinc/98/47/86/392984786.db2.gz HPQOXFNUZZUBON-GJZGRUSLSA-N 0 3 286.423 3.091 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000411743111 392985806 /nfs/dbraw/zinc/98/58/06/392985806.db2.gz FPHXRJZSPWNIDA-PBHICJAKSA-N 0 3 270.376 3.148 20 30 CGEDHN COc1cc(CCNCc2ccc(C#N)cc2F)ccc1C ZINC000532568552 392993902 /nfs/dbraw/zinc/99/39/02/392993902.db2.gz LBQPNJDQPZVWJE-UHFFFAOYSA-N 0 3 298.361 3.347 20 30 CGEDHN C=CCOc1ccccc1CN(C)[C@H](C)CC(=O)OCC ZINC000346339334 393083440 /nfs/dbraw/zinc/08/34/40/393083440.db2.gz SCGFXUROQXDGDN-CQSZACIVSA-N 0 3 291.391 3.025 20 30 CGEDHN Fc1ccc(C#CCN2CCCC3(CCC3)C2)cc1 ZINC000348192691 393115499 /nfs/dbraw/zinc/11/54/99/393115499.db2.gz JEBIYZJXRIOCEK-UHFFFAOYSA-N 0 3 257.352 3.443 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](COC(F)F)C2)c1 ZINC000348867172 393133560 /nfs/dbraw/zinc/13/35/60/393133560.db2.gz HXDQPFINOBJOJE-AWEZNQCLSA-N 0 3 297.345 3.313 20 30 CGEDHN C=C(CC)CNCc1cnn(-c2ccccc2C)c1 ZINC000647216145 393393665 /nfs/dbraw/zinc/39/36/65/393393665.db2.gz WNOCPANRHXIMJM-UHFFFAOYSA-N 0 3 255.365 3.237 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000649231595 393379131 /nfs/dbraw/zinc/37/91/31/393379131.db2.gz ONEOBIDQNXFBEU-SFHVURJKSA-N 0 3 285.387 3.217 20 30 CGEDHN CC1(C2CC2)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000356294460 393411284 /nfs/dbraw/zinc/41/12/84/393411284.db2.gz MHLDNVQOMBULQU-UHFFFAOYSA-N 0 3 294.402 3.218 20 30 CGEDHN C=C(C)[C@H](CO)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000649746783 393570465 /nfs/dbraw/zinc/57/04/65/393570465.db2.gz IIFJKGXNDMAIHD-WBMJQRKESA-N 0 3 279.811 3.239 20 30 CGEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000489490256 393600387 /nfs/dbraw/zinc/60/03/87/393600387.db2.gz CDHRLDVXERYFTC-INIZCTEOSA-N 0 3 294.402 3.189 20 30 CGEDHN CCN(Cc1cccc(OCCCC#N)c1)C[C@H](C)OC ZINC000361010664 393640524 /nfs/dbraw/zinc/64/05/24/393640524.db2.gz QKTPVHOJTWBGNU-HNNXBMFYSA-N 0 3 290.407 3.226 20 30 CGEDHN C=CCC[C@H](C)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000361053209 393657404 /nfs/dbraw/zinc/65/74/04/393657404.db2.gz QEYOWZICFMIALN-YOEHRIQHSA-N 0 3 274.408 3.020 20 30 CGEDHN C=CCCCN1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000441123766 393735395 /nfs/dbraw/zinc/73/53/95/393735395.db2.gz KIYKPUXCTXZSCD-MRXNPFEDSA-N 0 3 273.376 3.115 20 30 CGEDHN COc1cc(CN2CCCC3(CCC3)C2)ccc1C#N ZINC000443074535 393742934 /nfs/dbraw/zinc/74/29/34/393742934.db2.gz VUTQXDIRCQRUBF-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)[C@H]1C(C)C ZINC000449559803 393902848 /nfs/dbraw/zinc/90/28/48/393902848.db2.gz ZEXBDQVTWAPCGR-WMZOPIPTSA-N 0 3 296.418 3.318 20 30 CGEDHN CCC[C@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000501149451 393847763 /nfs/dbraw/zinc/84/77/63/393847763.db2.gz FCVPOAWOIDJSLH-ZDUSSCGKSA-N 0 3 275.371 3.008 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000456959713 394301335 /nfs/dbraw/zinc/30/13/35/394301335.db2.gz GMNMJNXSQJJXPO-IHRRRGAJSA-N 0 3 285.391 3.067 20 30 CGEDHN CCCCCCCC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000734447846 572657359 /nfs/dbraw/zinc/65/73/59/572657359.db2.gz VWQSUITZQOWLBS-HNNXBMFYSA-N 0 3 268.445 3.147 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccccc2NC(C)=O)C1 ZINC000668494141 543020016 /nfs/dbraw/zinc/02/00/16/543020016.db2.gz WNHIRDULPBNIIH-HNNXBMFYSA-N 0 3 272.392 3.433 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000668493538 543020207 /nfs/dbraw/zinc/02/02/07/543020207.db2.gz OTRZPIVODLXCRC-OAHLLOKOSA-N 0 3 282.391 3.055 20 30 CGEDHN COC1(C)CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000336603752 292101605 /nfs/dbraw/zinc/10/16/05/292101605.db2.gz FOMWQSHSKORLCW-ZDUSSCGKSA-N 0 3 258.365 3.120 20 30 CGEDHN C=C(CC)CN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000649779053 397718692 /nfs/dbraw/zinc/71/86/92/397718692.db2.gz HPVDTIDRBKWAEP-UKRRQHHQSA-N 0 3 289.423 3.414 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2CNc3ccccc3C2)c1 ZINC000650716720 397900580 /nfs/dbraw/zinc/90/05/80/397900580.db2.gz HTEHKZOYDAIDEE-KRWDZBQOSA-N 0 3 294.398 3.378 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1csc2ccccc12 ZINC000677048316 543427917 /nfs/dbraw/zinc/42/79/17/543427917.db2.gz VLKDOPBLJWSABM-AWEZNQCLSA-N 0 3 261.390 3.270 20 30 CGEDHN COCC#CCN[C@@H](c1ccccc1)C1CCCC1 ZINC000677818914 543468378 /nfs/dbraw/zinc/46/83/78/543468378.db2.gz LIKKHXDUXCFJEC-KRWDZBQOSA-N 0 3 257.377 3.157 20 30 CGEDHN C=CCOc1ccccc1CN(CC)C[C@H]1CCOC1 ZINC000678151421 543488747 /nfs/dbraw/zinc/48/87/47/543488747.db2.gz LIXXDKQRLBZQKA-OAHLLOKOSA-N 0 3 275.392 3.110 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000678235696 543498471 /nfs/dbraw/zinc/49/84/71/543498471.db2.gz YHCMLQPAIQHLIV-KRWDZBQOSA-N 0 3 297.402 3.285 20 30 CGEDHN CC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)[C@H](O)C(F)F ZINC000296440938 286923220 /nfs/dbraw/zinc/92/32/20/286923220.db2.gz MHYDNEVXEPMFKX-MJBXVCDLSA-N 0 3 282.334 3.004 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(C#N)cc1 ZINC000280210431 287058996 /nfs/dbraw/zinc/05/89/96/287058996.db2.gz UCPFDPAUNWVDOG-MLGOLLRUSA-N 0 3 280.375 3.020 20 30 CGEDHN COc1ccc(CN2[C@H](C)CCC[C@H]2C)cc1C#N ZINC000087833118 165191514 /nfs/dbraw/zinc/19/15/14/165191514.db2.gz GKTRISADUXKJLK-CHWSQXEVSA-N 0 3 258.365 3.330 20 30 CGEDHN CCC(CC)N(CCOC)Cc1cc(C#N)cs1 ZINC000092566017 165303247 /nfs/dbraw/zinc/30/32/47/165303247.db2.gz GKDLORDWPWGCGJ-UHFFFAOYSA-N 0 3 266.410 3.257 20 30 CGEDHN C[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CN1C1CC1 ZINC000122818773 287212945 /nfs/dbraw/zinc/21/29/45/287212945.db2.gz XNLFPOGSJHELQD-GWCFXTLKSA-N 0 3 275.783 3.249 20 30 CGEDHN CC(C)N(CCOc1ccc(C#N)cc1)Cc1cccnc1 ZINC000125733215 287249472 /nfs/dbraw/zinc/24/94/72/287249472.db2.gz RLGLHKRMBQUKIG-UHFFFAOYSA-N 0 3 295.386 3.243 20 30 CGEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)CCS1 ZINC000127308586 287285474 /nfs/dbraw/zinc/28/54/74/287285474.db2.gz ZYDVUINQCGECRO-UHFFFAOYSA-N 0 3 290.432 3.155 20 30 CGEDHN CN(Cc1cnc2ccc(C#N)cn12)CC1CCCCC1 ZINC000179936589 260080712 /nfs/dbraw/zinc/08/07/12/260080712.db2.gz CYSSHWJSMWVBGX-UHFFFAOYSA-N 0 3 282.391 3.218 20 30 CGEDHN C=CCOCCN[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000679576760 543647926 /nfs/dbraw/zinc/64/79/26/543647926.db2.gz SPTQSNXMTVBOLO-MLGOLLRUSA-N 0 3 263.356 3.241 20 30 CGEDHN CCC#C[C@H](C)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679871870 543666759 /nfs/dbraw/zinc/66/67/59/543666759.db2.gz BCPKPLRPXYNIDX-QWHCGFSZSA-N 0 3 299.340 3.341 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cc2ccccc2s1 ZINC000680420370 543709888 /nfs/dbraw/zinc/70/98/88/543709888.db2.gz YCAKVJBALVLOOU-AAEUAGOBSA-N 0 3 261.390 3.489 20 30 CGEDHN COCC#CCN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000681471394 543788791 /nfs/dbraw/zinc/78/87/91/543788791.db2.gz YJJIUQBLBKFXHV-QGZVFWFLSA-N 0 3 286.419 3.067 20 30 CGEDHN CC(C#N)C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000347046294 226027956 /nfs/dbraw/zinc/02/79/56/226027956.db2.gz KGVNDFJYWDNJMB-AWEZNQCLSA-N 0 3 270.376 3.017 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cscc1Cl ZINC000684767956 544027871 /nfs/dbraw/zinc/02/78/71/544027871.db2.gz VRHWLURIEFGWFI-GWCFXTLKSA-N 0 3 271.813 3.472 20 30 CGEDHN C=C[C@@H](C)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000655750027 419086505 /nfs/dbraw/zinc/08/65/05/419086505.db2.gz YKVNLMCJGPGUAP-CYBMUJFWSA-N 0 3 255.365 3.153 20 30 CGEDHN C=CCCCCCN1CCC(Oc2ncc(C)cn2)CC1 ZINC000653799375 419088774 /nfs/dbraw/zinc/08/87/74/419088774.db2.gz WXFOOYVVASMQKM-UHFFFAOYSA-N 0 3 289.423 3.375 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)[C@H](C)c2ccccc2)nn1 ZINC000653609032 419059239 /nfs/dbraw/zinc/05/92/39/419059239.db2.gz UKIIXMLQGBTNKG-GJZGRUSLSA-N 0 3 284.407 3.136 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H]2CCCC)nn1 ZINC000653615541 419061137 /nfs/dbraw/zinc/06/11/37/419061137.db2.gz MODIZUXEAJJFQR-GOEBONIOSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@@H](N)CC)nn1 ZINC000656457241 419173143 /nfs/dbraw/zinc/17/31/43/419173143.db2.gz IDJFMJVURAOROU-GJZGRUSLSA-N 0 3 270.380 3.048 20 30 CGEDHN C=CCCn1cc(CNCC[C@@H](C)c2ccccc2)nn1 ZINC000657339160 419254543 /nfs/dbraw/zinc/25/45/43/419254543.db2.gz NFJYWEVGICTZNZ-OAHLLOKOSA-N 0 3 284.407 3.138 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000661377913 419255306 /nfs/dbraw/zinc/25/53/06/419255306.db2.gz WNWYLQKMOWSHTK-ZDUSSCGKSA-N 0 3 291.366 3.480 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000661379851 419255359 /nfs/dbraw/zinc/25/53/59/419255359.db2.gz IYLSBGQWLRGNTI-QAPCUYQASA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCCn1cc(CNCC[C@H]2CCC[C@@H](C)C2)nn1 ZINC000657362650 419260153 /nfs/dbraw/zinc/26/01/53/419260153.db2.gz FOWBSKFIKHZMJJ-HUUCEWRRSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660852678 419203916 /nfs/dbraw/zinc/20/39/16/419203916.db2.gz FLCSRHVLARYXMD-UHFFFAOYSA-N 0 3 255.365 3.003 20 30 CGEDHN CC#CCCN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661659725 419282634 /nfs/dbraw/zinc/28/26/34/419282634.db2.gz LPYGOUVPQCAGOS-HNNXBMFYSA-N 0 3 261.340 3.385 20 30 CGEDHN C=CCC1(NCC(=O)Nc2cc(F)ccc2F)CCCC1 ZINC000661848238 419304401 /nfs/dbraw/zinc/30/44/01/419304401.db2.gz JSWQEJBLWOQPKD-UHFFFAOYSA-N 0 3 294.345 3.382 20 30 CGEDHN C=CCOCCCNCc1cnc(-c2ccco2)s1 ZINC000657658890 419320628 /nfs/dbraw/zinc/32/06/28/419320628.db2.gz JAIKBAUMZVUWSD-UHFFFAOYSA-N 0 3 278.377 3.085 20 30 CGEDHN C=CCOCCCNCc1cnc(C(C)(C)C)s1 ZINC000657658431 419320785 /nfs/dbraw/zinc/32/07/85/419320785.db2.gz XTPXEDQXGPAJHL-UHFFFAOYSA-N 0 3 268.426 3.123 20 30 CGEDHN Cc1cccc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000330266469 228085213 /nfs/dbraw/zinc/08/52/13/228085213.db2.gz PYTPWWALXIGRIT-VBNZEHGJSA-N 0 3 288.391 3.129 20 30 CGEDHN CC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(F)cc1 ZINC000662129946 419340283 /nfs/dbraw/zinc/34/02/83/419340283.db2.gz OWFAVDOQAHZKFQ-FUCXHRTASA-N 0 3 257.352 3.440 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CC)Cc1ccccc1 ZINC000662077907 419332799 /nfs/dbraw/zinc/33/27/99/419332799.db2.gz FVZSVXXKTLFQAC-HDICACEKSA-N 0 3 298.430 3.218 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn2cccc(C)c2n1 ZINC000662078815 419333397 /nfs/dbraw/zinc/33/33/97/419333397.db2.gz HESKVPVINMVZRQ-IYBDPMFKSA-N 0 3 267.376 3.326 20 30 CGEDHN C=CCc1cc(CNCC2=CCCC2)cc(OC)c1O ZINC000657749440 419337067 /nfs/dbraw/zinc/33/70/67/419337067.db2.gz CSGZLHAPVRJTFF-UHFFFAOYSA-N 0 3 273.376 3.329 20 30 CGEDHN Cc1cccc2nc(C3CCN(C(=O)C(C)C#N)CC3)oc21 ZINC000336178123 228204364 /nfs/dbraw/zinc/20/43/64/228204364.db2.gz DHVWEFCURGSURT-LBPRGKRZSA-N 0 3 297.358 3.002 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1cncc(Br)c1 ZINC000657906434 419431497 /nfs/dbraw/zinc/43/14/97/419431497.db2.gz YBCPMAZXXPSUGT-BDAKNGLRSA-N 0 3 255.159 3.069 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000662631843 419470891 /nfs/dbraw/zinc/47/08/91/419470891.db2.gz ZAZFOZRAGPXPLX-CVEARBPZSA-N 0 3 278.440 3.099 20 30 CGEDHN C=CCCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000658116119 419591177 /nfs/dbraw/zinc/59/11/77/419591177.db2.gz ZDJFKEQNKPFJCP-ZDUSSCGKSA-N 0 3 255.365 3.314 20 30 CGEDHN C=CCOCCCN[C@H](C)c1sccc1OC ZINC000658206067 419657543 /nfs/dbraw/zinc/65/75/43/419657543.db2.gz LNWWFQIYGAWHGU-LLVKDONJSA-N 0 3 255.383 3.000 20 30 CGEDHN C=CCCCCCN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179577052 260055539 /nfs/dbraw/zinc/05/55/39/260055539.db2.gz FGJIVVFEHAVXRB-GJZGRUSLSA-N 0 3 287.469 3.020 20 30 CGEDHN CCCCOCCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000040506822 260286609 /nfs/dbraw/zinc/28/66/09/260286609.db2.gz ZFKZDFZGAJXDLS-CQSZACIVSA-N 0 3 276.380 3.056 20 30 CGEDHN C=C(CC)CNCc1cc2c(cc1SC)OCCO2 ZINC000313487969 260298228 /nfs/dbraw/zinc/29/82/28/260298228.db2.gz YVADOZDMUNTWDO-UHFFFAOYSA-N 0 3 279.405 3.236 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000090450889 260359824 /nfs/dbraw/zinc/35/98/24/260359824.db2.gz VRZCQQHANKOBRR-AWEZNQCLSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CCOc1cccc(CNCCOC(C)(C)C)c1 ZINC000518265865 260363964 /nfs/dbraw/zinc/36/39/64/260363964.db2.gz IORHEZOHFJOPEZ-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN CN(C)Cc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185727042 262068846 /nfs/dbraw/zinc/06/88/46/262068846.db2.gz QPCHXYOKXSEMMQ-UKRRQHHQSA-N 0 3 257.381 3.242 20 30 CGEDHN COc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000192953347 262212628 /nfs/dbraw/zinc/21/26/28/262212628.db2.gz YHICMECWCMWQMH-UKRRQHHQSA-N 0 3 258.365 3.176 20 30 CGEDHN CN(C)CCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000193111004 262216355 /nfs/dbraw/zinc/21/63/55/262216355.db2.gz YBCGUGHPHIHBEZ-GOEBONIOSA-N 0 3 287.407 3.121 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCC2(F)F)s1 ZINC000390642848 262233998 /nfs/dbraw/zinc/23/39/98/262233998.db2.gz LJYYBJDULXDGMO-VIFPVBQESA-N 0 3 256.321 3.145 20 30 CGEDHN C=CC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000110363756 262257012 /nfs/dbraw/zinc/25/70/12/262257012.db2.gz COTXGKYWHKHARZ-GOSISDBHSA-N 0 3 298.430 3.076 20 30 CGEDHN CCOC(C)(C)CNCc1cccc(OCCCC#N)c1 ZINC000186536455 262316580 /nfs/dbraw/zinc/31/65/80/262316580.db2.gz ZWLWLVQQNOHBLU-UHFFFAOYSA-N 0 3 290.407 3.274 20 30 CGEDHN COc1cc(CNC[C@@H]2CCCC2(F)F)ccc1C#N ZINC000391013323 262376508 /nfs/dbraw/zinc/37/65/08/262376508.db2.gz MJZHFMCHKUKAKO-ZDUSSCGKSA-N 0 3 280.318 3.092 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000336827780 262398425 /nfs/dbraw/zinc/39/84/25/262398425.db2.gz IWQPERCKQFVZQW-CYBMUJFWSA-N 0 3 292.345 3.096 20 30 CGEDHN N#CCCCNCc1cccc(OCc2ccccn2)c1 ZINC000273012844 263010876 /nfs/dbraw/zinc/01/08/76/263010876.db2.gz CICMJZJROQJRCO-UHFFFAOYSA-N 0 3 281.359 3.054 20 30 CGEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1cnn(C)c1 ZINC000273382567 263016217 /nfs/dbraw/zinc/01/62/17/263016217.db2.gz NCMILXQLZAKCIC-ZDUSSCGKSA-N 0 3 282.391 3.072 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000274645247 263028513 /nfs/dbraw/zinc/02/85/13/263028513.db2.gz RXHYTLLPFNTOGF-WHOFXGATSA-N 0 3 273.336 3.328 20 30 CGEDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCC#N)c1[O-] ZINC000275293218 263032912 /nfs/dbraw/zinc/03/29/12/263032912.db2.gz GSLBCTWKQVUGCC-JTQLQIEISA-N 0 3 297.196 3.418 20 30 CGEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(-n2cccn2)c1 ZINC000276261466 263035432 /nfs/dbraw/zinc/03/54/32/263035432.db2.gz BDLQNOVXYVXOOW-UONOGXRCSA-N 0 3 268.364 3.215 20 30 CGEDHN N#CC1CCC(CNCc2c(F)cccc2F)CC1 ZINC000281854045 263072406 /nfs/dbraw/zinc/07/24/06/263072406.db2.gz ZKGRXJCJOFJWEC-UHFFFAOYSA-N 0 3 264.319 3.384 20 30 CGEDHN CN(CCCC1(C#N)CCOCC1)Cc1cccc(F)c1 ZINC000281987426 263073423 /nfs/dbraw/zinc/07/34/23/263073423.db2.gz MMQVBMJZAPLZOJ-UHFFFAOYSA-N 0 3 290.382 3.358 20 30 CGEDHN C=C(C)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285558664 263094175 /nfs/dbraw/zinc/09/41/75/263094175.db2.gz SICWFWBWOCKZOR-UHFFFAOYSA-N 0 3 274.339 3.117 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c(C)c1OC ZINC000285930283 263096643 /nfs/dbraw/zinc/09/66/43/263096643.db2.gz CVOUQYWAKJZUDI-BFHYXJOUSA-N 0 3 288.391 3.355 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)[C@@H]1OCCc2sccc21 ZINC000292368689 263131483 /nfs/dbraw/zinc/13/14/83/263131483.db2.gz ISMFKNDTTNIVPG-RISCZKNCSA-N 0 3 278.421 3.280 20 30 CGEDHN CC[C@H]1CCN1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000292713944 263134162 /nfs/dbraw/zinc/13/41/62/263134162.db2.gz DNLIFJMRHYOCHM-KRWDZBQOSA-N 0 3 294.402 3.448 20 30 CGEDHN COc1ccccc1[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000293009319 263137065 /nfs/dbraw/zinc/13/70/65/263137065.db2.gz HHDJRBYEUBNGNH-ZNMIVQPWSA-N 0 3 270.376 3.177 20 30 CGEDHN CN(Cc1ccccc1N1CCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000293355141 263139376 /nfs/dbraw/zinc/13/93/76/263139376.db2.gz DVQKUPMPJHUIGW-DOTOQJQBSA-N 0 3 283.419 3.411 20 30 CGEDHN CN(CCOc1ccccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000293389194 263139628 /nfs/dbraw/zinc/13/96/28/263139628.db2.gz GSGLQEBXECJMOF-STQMWFEESA-N 0 3 278.783 3.343 20 30 CGEDHN CCc1ccc(C2=CCN(CCOCCC#N)CC2)cc1 ZINC000293694798 263147137 /nfs/dbraw/zinc/14/71/37/263147137.db2.gz CDOQRBNHQPGESO-UHFFFAOYSA-N 0 3 284.403 3.268 20 30 CGEDHN CC[C@@H](c1cccc(OC)c1)N(C)CCOCCC#N ZINC000293719346 263147735 /nfs/dbraw/zinc/14/77/35/263147735.db2.gz YJJNDFKVOQRVEM-INIZCTEOSA-N 0 3 276.380 3.008 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000298324543 263217932 /nfs/dbraw/zinc/21/79/32/263217932.db2.gz ZKXFXEOIOIIKHF-CVEARBPZSA-N 0 3 270.376 3.375 20 30 CGEDHN C[C@H](CCC#N)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000298557472 263221672 /nfs/dbraw/zinc/22/16/72/263221672.db2.gz OZRFZFXCPJSFGR-DFBGVHRSSA-N 0 3 278.783 3.452 20 30 CGEDHN C=CCCOCCNCc1ccc(OC)c(Cl)c1 ZINC000120795896 263286468 /nfs/dbraw/zinc/28/64/68/263286468.db2.gz LWCDCDCCESGTIX-UHFFFAOYSA-N 0 3 269.772 3.031 20 30 CGEDHN C#CCCCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000120914063 263288546 /nfs/dbraw/zinc/28/85/46/263288546.db2.gz HEMNOGMISCEOTP-KRWDZBQOSA-N 0 3 296.414 3.191 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(C)cc1Br ZINC000341283160 263329951 /nfs/dbraw/zinc/32/99/51/263329951.db2.gz WLLIDCVABOGYHL-LBPRGKRZSA-N 0 3 298.224 3.032 20 30 CGEDHN C=CC[C@@H](CO)CNCc1c(Cl)oc2ccccc21 ZINC000341312977 263334139 /nfs/dbraw/zinc/33/41/39/263334139.db2.gz RRSDTRDZGCIRTJ-LLVKDONJSA-N 0 3 279.767 3.360 20 30 CGEDHN COCC1(C#N)CCN([C@H](C)c2ccccc2C)CC1 ZINC000341988927 263381086 /nfs/dbraw/zinc/38/10/86/263381086.db2.gz KMNBAKVBIGMEDE-OAHLLOKOSA-N 0 3 272.392 3.308 20 30 CGEDHN CC1(C)CCCN(CCNC(=O)c2cccc(CC#N)c2)C1 ZINC000331279882 264171389 /nfs/dbraw/zinc/17/13/89/264171389.db2.gz BAXZXSGVZYFFJE-UHFFFAOYSA-N 0 3 299.418 3.179 20 30 CGEDHN CC#CCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160150767 264237824 /nfs/dbraw/zinc/23/78/24/264237824.db2.gz LPWHBKPELSBPME-AWEZNQCLSA-N 0 3 299.349 3.078 20 30 CGEDHN C#CCCOc1ccc(CN(C)[C@H]2CCSC2)cc1 ZINC000130577661 264360242 /nfs/dbraw/zinc/36/02/42/264360242.db2.gz RWPIEFDBHQCPOS-HNNXBMFYSA-N 0 3 275.417 3.026 20 30 CGEDHN C=CCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000132383716 264388472 /nfs/dbraw/zinc/38/84/72/264388472.db2.gz RAOYDZMSAITHNO-CYBMUJFWSA-N 0 3 251.395 3.305 20 30 CGEDHN C=CCC[C@H](NCC(=O)N[C@@H](C)CC)c1ccccc1 ZINC000180043380 264395130 /nfs/dbraw/zinc/39/51/30/264395130.db2.gz NJECMOBJRHYYBY-HOCLYGCPSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000090883775 264413029 /nfs/dbraw/zinc/41/30/29/264413029.db2.gz FSKIDYFVSYIADP-HNNXBMFYSA-N 0 3 291.391 3.091 20 30 CGEDHN Cc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000042373821 270032946 /nfs/dbraw/zinc/03/29/46/270032946.db2.gz WECWKDWGNRLFEE-UHFFFAOYSA-N 0 3 250.345 3.499 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000320741412 265026412 /nfs/dbraw/zinc/02/64/12/265026412.db2.gz MBYPBYBDQZMMMM-NSHDSACASA-N 0 3 291.288 3.261 20 30 CGEDHN CC[C@H]1C[C@H](CN(CCC#N)CCC(C)C)CCO1 ZINC000356999564 266228583 /nfs/dbraw/zinc/22/85/83/266228583.db2.gz VFABCIKQQNPOHX-CVEARBPZSA-N 0 3 266.429 3.453 20 30 CGEDHN C=C[C@@H](C)NCc1cc(-c2ccncc2)ccc1OC ZINC000358986003 266518270 /nfs/dbraw/zinc/51/82/70/266518270.db2.gz LCVSFSCVAOILBM-CYBMUJFWSA-N 0 3 268.360 3.421 20 30 CGEDHN COc1cccc([C@@H](CNCc2ccc(C#N)cc2)OC)c1 ZINC000527740490 270133644 /nfs/dbraw/zinc/13/36/44/270133644.db2.gz SXXUOSYWKLJZOZ-GOSISDBHSA-N 0 3 296.370 3.044 20 30 CGEDHN C=CC[C@H](C)N[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000116907752 267193678 /nfs/dbraw/zinc/19/36/78/267193678.db2.gz RFJHGESFSPNPAG-RDJZCZTQSA-N 0 3 286.419 3.294 20 30 CGEDHN N#CC1(CNCCCCOc2ccccc2)CCC1 ZINC000418139071 267362745 /nfs/dbraw/zinc/36/27/45/267362745.db2.gz HGZHMSKIDKCVJM-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN Cc1cccc(C)c1OCCNCc1ccc(C#N)cc1F ZINC000533312251 270222982 /nfs/dbraw/zinc/22/29/82/270222982.db2.gz KKYATKSDBAOVCD-UHFFFAOYSA-N 0 3 298.361 3.483 20 30 CGEDHN CC1(C#N)CCN(CC2CCC(F)(F)CC2)CC1 ZINC000334793538 276096795 /nfs/dbraw/zinc/09/67/95/276096795.db2.gz MNPSZIPHTQYZIO-UHFFFAOYSA-N 0 3 256.340 3.438 20 30 CGEDHN CCN1CCCC[C@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000302009428 276161338 /nfs/dbraw/zinc/16/13/38/276161338.db2.gz BUIURLALBULFJH-INIZCTEOSA-N 0 3 285.391 3.047 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C1(C)C ZINC000120625794 276364737 /nfs/dbraw/zinc/36/47/37/276364737.db2.gz FHKLLGNBKKNRLR-HOTGVXAUSA-N 0 3 272.392 3.194 20 30 CGEDHN Cc1nc(CCNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c(C)o1 ZINC000329036830 279082010 /nfs/dbraw/zinc/08/20/10/279082010.db2.gz RNHQONXZVUJVTK-TUAOUCFPSA-N 0 3 293.411 3.052 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(F)c(F)c2F)s1 ZINC000544369511 288843602 /nfs/dbraw/zinc/84/36/02/288843602.db2.gz XGTSGAWINHQIMS-UHFFFAOYSA-N 0 3 296.317 3.369 20 30 CGEDHN CCCCN(C)C[C@@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000556479999 289394372 /nfs/dbraw/zinc/39/43/72/289394372.db2.gz ISQBSOBJUTUWTN-CYBMUJFWSA-N 0 3 287.407 3.293 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000337532291 290012557 /nfs/dbraw/zinc/01/25/57/290012557.db2.gz DNTCUEULWMZULF-ZLKJLUDKSA-N 0 3 280.318 3.369 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000185767680 327844940 /nfs/dbraw/zinc/84/49/40/327844940.db2.gz QLJAPRSOIYEMFO-TUKIKUTGSA-N 0 3 278.783 3.045 20 30 CGEDHN C=CC1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000110031409 327886679 /nfs/dbraw/zinc/88/66/79/327886679.db2.gz YLXSLNVYNCCTRS-UHFFFAOYSA-N 0 3 260.381 3.105 20 30 CGEDHN CC(C)(C)c1ncc(CNCCCCC#N)s1 ZINC000236767636 328002552 /nfs/dbraw/zinc/00/25/52/328002552.db2.gz XMTPOTYVCGNFMT-UHFFFAOYSA-N 0 3 251.399 3.224 20 30 CGEDHN C=CC[C@@H](C)NCc1conc1Cc1ccccc1 ZINC000339264407 328004006 /nfs/dbraw/zinc/00/40/06/328004006.db2.gz NZUFBSGUODMRAT-CYBMUJFWSA-N 0 3 256.349 3.320 20 30 CGEDHN C=CCc1cc(CN[C@H]2CS[C@H](C)C2)cc(OC)c1O ZINC000414501458 328189985 /nfs/dbraw/zinc/18/99/85/328189985.db2.gz NLYOHEKFPBALIA-BXUZGUMPSA-N 0 3 293.432 3.113 20 30 CGEDHN CC1=CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000271182970 328195745 /nfs/dbraw/zinc/19/57/45/328195745.db2.gz LSBVHXSKGOLFMQ-UHFFFAOYSA-N 0 3 269.392 3.188 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000276346393 328217555 /nfs/dbraw/zinc/21/75/55/328217555.db2.gz VHBVRVRXIMWTLI-AWEZNQCLSA-N 0 3 285.391 3.029 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000353579363 328289808 /nfs/dbraw/zinc/28/98/08/328289808.db2.gz UYOHDLYUTJBULT-AAEUAGOBSA-N 0 3 289.297 3.173 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)c2cc(F)ccc2CN1 ZINC000565043332 322056612 /nfs/dbraw/zinc/05/66/12/322056612.db2.gz DOWXHNAMVOPAHO-CYBMUJFWSA-N 0 3 295.361 3.196 20 30 CGEDHN Cc1ccnc([C@@H]2CCN(Cc3cccc(C#N)c3)C2)c1 ZINC000570580559 322277027 /nfs/dbraw/zinc/27/70/27/322277027.db2.gz ZREGNPXKBNJHAL-QGZVFWFLSA-N 0 3 277.371 3.251 20 30 CGEDHN C[C@H]1CCC[C@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571807580 322308346 /nfs/dbraw/zinc/30/83/46/322308346.db2.gz YIMLSRXHAOMSMY-STQMWFEESA-N 0 3 287.363 3.477 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000573448749 322388458 /nfs/dbraw/zinc/38/84/58/322388458.db2.gz JWUMAEQUUAYKFR-KCXAZCMYSA-N 0 3 299.374 3.477 20 30 CGEDHN C#Cc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000290043259 328528757 /nfs/dbraw/zinc/52/87/57/328528757.db2.gz JDSGCTKBNYUSJP-INIZCTEOSA-N 0 3 251.329 3.428 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CC)CCN1CCCCCC1 ZINC000558028666 327046417 /nfs/dbraw/zinc/04/64/17/327046417.db2.gz CBZVEWNDOBDLOV-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1C[C@H]1C ZINC000584199492 327063307 /nfs/dbraw/zinc/06/33/07/327063307.db2.gz JZVDVYWDLGHVSG-ZBFHGGJFSA-N 0 3 261.413 3.498 20 30 CGEDHN C=CCN(Cc1cnc(N(C)C)nc1)CC1CCCCC1 ZINC000560532692 327320449 /nfs/dbraw/zinc/32/04/49/327320449.db2.gz HDXYUOBTYQSNCR-UHFFFAOYSA-N 0 3 288.439 3.111 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](C)[C@H](OC)C2CC2)c1 ZINC000449632259 327398140 /nfs/dbraw/zinc/39/81/40/327398140.db2.gz QWFSADKLIDAZSD-GUYCJALGSA-N 0 3 275.392 3.155 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(Br)o2)C1 ZINC000295020980 327595841 /nfs/dbraw/zinc/59/58/41/327595841.db2.gz KOSUDGWGRDGOBJ-UWVGGRQHSA-N 0 3 283.169 3.214 20 30 CGEDHN C=C(C)CN(C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000181303777 329230719 /nfs/dbraw/zinc/23/07/19/329230719.db2.gz DCCYCDLBDBJYPR-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN C=CCSCCN[C@@H](CC)c1ccc(F)cn1 ZINC000226616103 329262313 /nfs/dbraw/zinc/26/23/13/329262313.db2.gz FXRIKAJYFZOMBH-LBPRGKRZSA-N 0 3 254.374 3.181 20 30 CGEDHN N#CCC[C@H](C#N)CNCC[C@H]1CCc2ccccc21 ZINC000583194290 329356030 /nfs/dbraw/zinc/35/60/30/329356030.db2.gz UDRIHFGXYIKFEB-GDBMZVCRSA-N 0 3 267.376 3.140 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000189815676 329389122 /nfs/dbraw/zinc/38/91/22/329389122.db2.gz QFSIIVUJUMMIES-NVXWUHKLSA-N 0 3 274.408 3.008 20 30 CGEDHN C=CCCN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000265764603 330063292 /nfs/dbraw/zinc/06/32/92/330063292.db2.gz BOKXUIWHWCURHZ-UHFFFAOYSA-N 0 3 271.307 3.305 20 30 CGEDHN C=CCN(CCCOC(C)C)CCc1ccco1 ZINC000272342298 330085521 /nfs/dbraw/zinc/08/55/21/330085521.db2.gz YYPGREANKLANCX-UHFFFAOYSA-N 0 3 251.370 3.125 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(OC)cc1F)C(C)C ZINC000421838602 330092564 /nfs/dbraw/zinc/09/25/64/330092564.db2.gz VGVPAWSYLLBZQY-CXAGYDPISA-N 0 3 295.398 3.306 20 30 CGEDHN C=CCN1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273461056 330093142 /nfs/dbraw/zinc/09/31/42/330093142.db2.gz CTENXDNFMFJWPI-HNNXBMFYSA-N 0 3 288.435 3.310 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(C(F)(F)F)c1 ZINC000527723018 330277333 /nfs/dbraw/zinc/27/73/33/330277333.db2.gz XJCCHHHMRXSCQA-GXFFZTMASA-N 0 3 298.308 3.496 20 30 CGEDHN N#CCCCN[C@@H](Cc1ccncc1)c1cccs1 ZINC000424288854 330334278 /nfs/dbraw/zinc/33/42/78/330334278.db2.gz ZRUMLYGEBXIRTQ-AWEZNQCLSA-N 0 3 271.389 3.320 20 30 CGEDHN CCc1nc2c(s1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000424317789 330339707 /nfs/dbraw/zinc/33/97/07/330339707.db2.gz CGYPWNMMVLEADT-TUAOUCFPSA-N 0 3 275.421 3.365 20 30 CGEDHN COC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000424327542 330341624 /nfs/dbraw/zinc/34/16/24/330341624.db2.gz MUVDSXFWDWUSID-NILFDRSVSA-N 0 3 278.783 3.309 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424336702 330343533 /nfs/dbraw/zinc/34/35/33/330343533.db2.gz YKLKNDAWSSHWCW-WMHQRMGPSA-N 0 3 258.365 3.044 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N1CCCN(C(C)(C)C)CC1 ZINC000580498316 330350984 /nfs/dbraw/zinc/35/09/84/330350984.db2.gz IPRVJEJHPOVCJV-UHFFFAOYSA-N 0 3 299.418 3.071 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC=CCC1)C(C)C ZINC000046049416 330351086 /nfs/dbraw/zinc/35/10/86/330351086.db2.gz MWRGDQRXDOKMBN-DLBZAZTESA-N 0 3 290.451 3.158 20 30 CGEDHN CC#CCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000533148478 330351218 /nfs/dbraw/zinc/35/12/18/330351218.db2.gz OZOVXYXYSHUXJR-CQSZACIVSA-N 0 3 277.795 3.454 20 30 CGEDHN C=CCC[C@@H](NCc1nccn1CC(C)C)C1CC1 ZINC000121349336 330400720 /nfs/dbraw/zinc/40/07/20/330400720.db2.gz HKIXGRPAIIPDRK-OAHLLOKOSA-N 0 3 261.413 3.374 20 30 CGEDHN C=CC[C@@H](C)NCc1nc2ccc(F)cc2s1 ZINC000428865237 330533205 /nfs/dbraw/zinc/53/32/05/330533205.db2.gz VUHQGWZKGZKUPC-SECBINFHSA-N 0 3 250.342 3.490 20 30 CGEDHN C=CCOc1ccc(CNCC2(CC#N)CC2)cc1OC ZINC000430016558 330557440 /nfs/dbraw/zinc/55/74/40/330557440.db2.gz ARTIXJYZEFROGV-UHFFFAOYSA-N 0 3 286.375 3.043 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc(OC)c(OC)c1 ZINC000430733188 330571789 /nfs/dbraw/zinc/57/17/89/330571789.db2.gz DJQHHCJKVFHZJN-AWEZNQCLSA-N 0 3 288.391 3.438 20 30 CGEDHN Cc1cccc(C)c1NC(=O)CNC1CCC(C)(C#N)CC1 ZINC000449222444 330907182 /nfs/dbraw/zinc/90/71/82/330907182.db2.gz WMDOPPDAZUCOSQ-UHFFFAOYSA-N 0 3 299.418 3.304 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1ncnn1-c1ccccc1 ZINC000449288937 330912045 /nfs/dbraw/zinc/91/20/45/330912045.db2.gz PKBSNCAXRLTZGT-OAHLLOKOSA-N 0 3 284.407 3.492 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000449698882 330944668 /nfs/dbraw/zinc/94/46/68/330944668.db2.gz PQIKRSVUKIPVDQ-SECBINFHSA-N 0 3 279.327 3.184 20 30 CGEDHN C=C(CC)CNCc1ccc(OC(F)F)c(F)c1 ZINC000449732375 330946254 /nfs/dbraw/zinc/94/62/54/330946254.db2.gz LQTYGOQRMXLJLD-UHFFFAOYSA-N 0 3 259.271 3.483 20 30 CGEDHN N#CCc1ccc(CN2CCSC[C@@H]2C2CC2)cc1 ZINC000451657177 331038012 /nfs/dbraw/zinc/03/80/12/331038012.db2.gz VUTBALKPDMPZON-MRXNPFEDSA-N 0 3 272.417 3.080 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452345264 331062897 /nfs/dbraw/zinc/06/28/97/331062897.db2.gz QITZQRUUQOQNCY-HOTGVXAUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2c1cccc2F ZINC000453332450 331117786 /nfs/dbraw/zinc/11/77/86/331117786.db2.gz CLIVCSMGNNRPLR-OAGGEKHMSA-N 0 3 261.340 3.136 20 30 CGEDHN C=CC(C)(C)CNC(=O)Nc1ccccc1CCN(C)C ZINC000455226274 331162953 /nfs/dbraw/zinc/16/29/53/331162953.db2.gz KQTPACWFQRFKKW-UHFFFAOYSA-N 0 3 289.423 3.124 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2(C3CCC3)CCC2)CC1 ZINC000455486863 331170928 /nfs/dbraw/zinc/17/09/28/331170928.db2.gz JEBNMDVWRYKQDP-UHFFFAOYSA-N 0 3 290.451 3.114 20 30 CGEDHN CC(C)[C@]1(C)C[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000458108075 331243130 /nfs/dbraw/zinc/24/31/30/331243130.db2.gz DZZXGFDVLFDVPM-BQFCYCMXSA-N 0 3 284.403 3.310 20 30 CGEDHN C=CCC1(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCCCC1 ZINC000458440741 331251424 /nfs/dbraw/zinc/25/14/24/331251424.db2.gz MYJQVNUKDXFEHB-HUUCEWRRSA-N 0 3 293.455 3.047 20 30 CGEDHN CC(C)(C)c1ncc(CNCC(C)(C)CC#N)s1 ZINC000459693624 331294715 /nfs/dbraw/zinc/29/47/15/331294715.db2.gz NRKLWYMASZDRDT-UHFFFAOYSA-N 0 3 265.426 3.470 20 30 CGEDHN COc1ccc(CNCC(C)(C)CC#N)cc1Cl ZINC000459726392 331295955 /nfs/dbraw/zinc/29/59/55/331295955.db2.gz FLAKFGWJAXBNOD-UHFFFAOYSA-N 0 3 266.772 3.378 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc(-c2ccccn2)s1 ZINC000459726303 331296074 /nfs/dbraw/zinc/29/60/74/331296074.db2.gz DWXSXEOVOSHIJQ-UHFFFAOYSA-N 0 3 286.404 3.235 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)CCCC)CC1 ZINC000460265865 331308770 /nfs/dbraw/zinc/30/87/70/331308770.db2.gz ZUHREJRHLRNZIW-OAHLLOKOSA-N 0 3 295.471 3.247 20 30 CGEDHN CC#CCCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000464434589 331360474 /nfs/dbraw/zinc/36/04/74/331360474.db2.gz ALPMNDJMOXPMDE-FUHWJXTLSA-N 0 3 298.430 3.132 20 30 CGEDHN C=CCCCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000488972800 332036218 /nfs/dbraw/zinc/03/62/18/332036218.db2.gz FBZOJEPFCPRJOQ-KKUMJFAQSA-N 0 3 265.397 3.006 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccccc1 ZINC000489440433 332052799 /nfs/dbraw/zinc/05/27/99/332052799.db2.gz PELXOSJCAFTASK-HNNXBMFYSA-N 0 3 258.365 3.056 20 30 CGEDHN C=C[C@H]1CCCCN1CCc1ccc2c(c1)OCCO2 ZINC000489483917 332055500 /nfs/dbraw/zinc/05/55/00/332055500.db2.gz FSBDOBLFKUMVJF-HNNXBMFYSA-N 0 3 273.376 3.041 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000489492178 332056284 /nfs/dbraw/zinc/05/62/84/332056284.db2.gz CZFKKAUMDCDVFV-HUUCEWRRSA-N 0 3 295.810 3.120 20 30 CGEDHN C#C[C@H](CC)NCc1cccc(-c2cccnc2)c1 ZINC000491265154 332176701 /nfs/dbraw/zinc/17/67/01/332176701.db2.gz JWOXAHCMVZRQLW-QGZVFWFLSA-N 0 3 250.345 3.250 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000491615164 332242830 /nfs/dbraw/zinc/24/28/30/332242830.db2.gz BPDKYCLYRDQZPU-UHFFFAOYSA-N 0 3 283.318 3.140 20 30 CGEDHN C#C[C@H](NC[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000491670883 332278078 /nfs/dbraw/zinc/27/80/78/332278078.db2.gz RDYPGMZSYWDVOV-DOMZBBRYSA-N 0 3 263.768 3.031 20 30 CGEDHN C#C[C@H](NC[C@H]1CCO[C@H](CC)C1)c1ccc(F)cc1 ZINC000491750608 332327231 /nfs/dbraw/zinc/32/72/31/332327231.db2.gz VIWRKEJATBSPTD-XKQJLSEDSA-N 0 3 275.367 3.295 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000553709264 334396122 /nfs/dbraw/zinc/39/61/22/334396122.db2.gz BEWGXOFGBUYPOY-DOMZBBRYSA-N 0 3 294.826 3.317 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C[C@@H](C)CC)CC1 ZINC000176499851 333042395 /nfs/dbraw/zinc/04/23/95/333042395.db2.gz SJEINKPSQOYNAX-LSDHHAIUSA-N 0 3 295.471 3.151 20 30 CGEDHN CC#CCNC1(c2cccc(Br)c2)CCC1 ZINC000309638217 333046591 /nfs/dbraw/zinc/04/65/91/333046591.db2.gz TYOIUYHFZFKGTH-UHFFFAOYSA-N 0 3 278.193 3.441 20 30 CGEDHN C=C(C)COCCNCc1ccc(OCC2CC2)cc1 ZINC000191335502 333218376 /nfs/dbraw/zinc/21/83/76/333218376.db2.gz GDNZFLFHVAEFGA-UHFFFAOYSA-N 0 3 275.392 3.158 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cnn(C(C)C)c1C ZINC000191352886 333218566 /nfs/dbraw/zinc/21/85/66/333218566.db2.gz GPDRSKSCINUXOU-LBPRGKRZSA-N 0 3 267.442 3.342 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](c2cccc(C)c2)C(C)C)C1=O ZINC000528771143 333456803 /nfs/dbraw/zinc/45/68/03/333456803.db2.gz RLVAQTTUFFXFTM-SJORKVTESA-N 0 3 286.419 3.069 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccc3occc3c2)CC1 ZINC000529280809 333481374 /nfs/dbraw/zinc/48/13/74/333481374.db2.gz FVYPLMJKFXMLJW-UHFFFAOYSA-N 0 3 299.374 3.205 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CCN(CC2CCCC2)CC1 ZINC000174571022 335159190 /nfs/dbraw/zinc/15/91/90/335159190.db2.gz BMXNTZIFTRPZSD-GOSISDBHSA-N 0 3 283.419 3.059 20 30 CGEDHN C[C@@H](CNCc1cccc(C#N)c1)Oc1ccc(F)cc1 ZINC000174603382 335160231 /nfs/dbraw/zinc/16/02/31/335160231.db2.gz NMOMTVJAEHGRTM-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN CC#CCCN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000547317798 334078767 /nfs/dbraw/zinc/07/87/67/334078767.db2.gz NZHPOZPMGZWQPU-UHFFFAOYSA-N 0 3 283.318 3.142 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000548858571 334176776 /nfs/dbraw/zinc/17/67/76/334176776.db2.gz NLCHAJHBMYOUOO-DZGCQCFKSA-N 0 3 255.365 3.001 20 30 CGEDHN C=CCOCCN(C)CCCOc1ccc(Cl)cc1 ZINC000549770700 334204530 /nfs/dbraw/zinc/20/45/30/334204530.db2.gz YRVSPDWXKKIAFS-UHFFFAOYSA-N 0 3 283.799 3.243 20 30 CGEDHN CN(Cc1cccs1)Cc1ccc(CC#N)cc1 ZINC000342710871 335185917 /nfs/dbraw/zinc/18/59/17/335185917.db2.gz PJZCUWYUGLYEIX-UHFFFAOYSA-N 0 3 256.374 3.446 20 30 CGEDHN C=CCCCNCc1cc(OC)ccc1OC(F)F ZINC000576341770 335191754 /nfs/dbraw/zinc/19/17/54/335191754.db2.gz ZOYYBBFWBQZVAK-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN COc1cccc2c1CCC[C@H]2NCC1(CC#N)CC1 ZINC000576575017 335220551 /nfs/dbraw/zinc/22/05/51/335220551.db2.gz KRVRSEZDUDOCHU-OAHLLOKOSA-N 0 3 270.376 3.356 20 30 CGEDHN C=CCCCCCNCc1cc(C(=O)OC)c(C)o1 ZINC000577191488 335320156 /nfs/dbraw/zinc/32/01/56/335320156.db2.gz MRZLAYCAFAPTLB-UHFFFAOYSA-N 0 3 265.353 3.211 20 30 CGEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C#N)cc1 ZINC000177601789 335375881 /nfs/dbraw/zinc/37/58/81/335375881.db2.gz YMPODRIVZJDVNK-QGZVFWFLSA-N 0 3 278.355 3.344 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)cs1)N1CCc2ccccc21 ZINC000177683377 335378609 /nfs/dbraw/zinc/37/86/09/335378609.db2.gz CWBZCHZWLGDIND-ZDUSSCGKSA-N 0 3 297.427 3.161 20 30 CGEDHN C=CCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000183463067 335894277 /nfs/dbraw/zinc/89/42/77/335894277.db2.gz OSLLHKAITBTJEE-JTQLQIEISA-N 0 3 253.317 3.070 20 30 CGEDHN Cc1cnc([C@@H](NCCCSCC#N)C2CC2)s1 ZINC000185276690 335949997 /nfs/dbraw/zinc/94/99/97/335949997.db2.gz CYBZGXQGCMKZTD-LBPRGKRZSA-N 0 3 281.450 3.139 20 30 CGEDHN Cc1ccccc1[C@@H](CO)NCCC1(C#N)CCCCC1 ZINC000581415609 336073125 /nfs/dbraw/zinc/07/31/25/336073125.db2.gz PMBBTSRLPWGERP-QGZVFWFLSA-N 0 3 286.419 3.482 20 30 CGEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CC2)cc1F ZINC000421350641 518196533 /nfs/dbraw/zinc/19/65/33/518196533.db2.gz AZNSGKHMYFTAOE-UHFFFAOYSA-N 0 3 272.245 3.129 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCNc1c(C#N)cccc1C#N ZINC000436383894 533827761 /nfs/dbraw/zinc/82/77/61/533827761.db2.gz DNROYCMVPJBMBO-OKILXGFUSA-N 0 3 282.391 3.105 20 30 CGEDHN COc1cc(Cl)cc(C(=O)C(C#N)c2ccccn2)c1 ZINC000344751989 533952946 /nfs/dbraw/zinc/95/29/46/533952946.db2.gz WUEFAZOGFVJVHD-CYBMUJFWSA-N 0 3 286.718 3.234 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000425530635 534081422 /nfs/dbraw/zinc/08/14/22/534081422.db2.gz FRYABANZLPQYTF-WWGRRREGSA-N 0 3 258.365 3.119 20 30 CGEDHN CC(C#N)C(=O)N(C)C1CCC(C(C)(C)C)CC1 ZINC000347074379 534281668 /nfs/dbraw/zinc/28/16/68/534281668.db2.gz QZKNNOGXXCIVFT-PNESKVBLSA-N 0 3 250.386 3.209 20 30 CGEDHN Cc1ccn2cc(CNC3CCC(C)(C#N)CC3)nc2c1 ZINC000336225965 534365170 /nfs/dbraw/zinc/36/51/70/534365170.db2.gz HFLUBLZMWUIMGF-UHFFFAOYSA-N 0 3 282.391 3.205 20 30 CGEDHN N#CCCCNCc1cnc(-c2cccs2)s1 ZINC000344321252 534612246 /nfs/dbraw/zinc/61/22/46/534612246.db2.gz FCXUKZZLVKDASM-UHFFFAOYSA-N 0 3 263.391 3.265 20 30 CGEDHN C[C@@H](c1ccco1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000069070387 526134445 /nfs/dbraw/zinc/13/44/45/526134445.db2.gz YEVMYMYSSNPISH-ZDUSSCGKSA-N 0 3 297.358 3.173 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000106039626 526600338 /nfs/dbraw/zinc/60/03/38/526600338.db2.gz HETMRGYISAOQHK-UHFFFAOYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000353880650 526891038 /nfs/dbraw/zinc/89/10/38/526891038.db2.gz JVQABWXEHJQOJI-CABCVRRESA-N 0 3 256.349 3.033 20 30 CGEDHN C=CCc1cc(CNCC2(C(F)F)CC2)cc(OC)c1O ZINC000355144401 527242524 /nfs/dbraw/zinc/24/25/24/527242524.db2.gz CQZPHINGROSRBI-UHFFFAOYSA-N 0 3 297.345 3.264 20 30 CGEDHN C=CCCN(C)Cc1ccnn1-c1ccccc1C ZINC000354923717 527322694 /nfs/dbraw/zinc/32/26/94/527322694.db2.gz NKNZAUZIIZDQOK-UHFFFAOYSA-N 0 3 255.365 3.189 20 30 CGEDHN C=CCC[C@@H](NCCc1ncc(C)cn1)c1ccco1 ZINC000353621711 527447365 /nfs/dbraw/zinc/44/73/65/527447365.db2.gz MOIZERLFDBUYRX-CQSZACIVSA-N 0 3 271.364 3.218 20 30 CGEDHN CCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437432448 527853148 /nfs/dbraw/zinc/85/31/48/527853148.db2.gz HEKRULPMHUOPKZ-UHFFFAOYSA-N 0 3 254.280 3.001 20 30 CGEDHN CCC[C@H](C)[C@@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000514608078 535654996 /nfs/dbraw/zinc/65/49/96/535654996.db2.gz IIVTVWNNXWASMX-HWWQOWPSSA-N 0 3 278.371 3.145 20 30 CGEDHN CCCCCCCC(=O)N1CCCN(C(C)C)CC1 ZINC000727807057 571770468 /nfs/dbraw/zinc/77/04/68/571770468.db2.gz RKEWBUXNKDXTOX-UHFFFAOYSA-N 0 3 268.445 3.290 20 30 CGEDHN CCN(C)c1ccccc1CNCc1cccc(C#N)c1 ZINC000730110181 571948910 /nfs/dbraw/zinc/94/89/10/571948910.db2.gz ZKJRNLJDYPWPOI-UHFFFAOYSA-N 0 3 279.387 3.304 20 30 CGEDHN C#Cc1cccc(NC(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000730897995 572383381 /nfs/dbraw/zinc/38/33/81/572383381.db2.gz UHFUTJQYGMWGIA-HUUCEWRRSA-N 0 3 299.418 3.052 20 30 CGEDHN C#CCN(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000731665836 572420027 /nfs/dbraw/zinc/42/00/27/572420027.db2.gz HZDZWOBPOCTTHG-UHFFFAOYSA-N 0 3 299.393 3.494 20 30 CGEDHN C[C@@H]1CC(N=Nc2ncc(Cl)cc2Cl)CCN1C ZINC000741458736 572499585 /nfs/dbraw/zinc/49/95/85/572499585.db2.gz XVOJZZSSECFMBN-MRVPVSSYSA-N 0 3 287.194 3.270 20 30 CGEDHN C#CCCCNCc1c(Cl)cccc1OC(F)F ZINC000742385109 572574197 /nfs/dbraw/zinc/57/41/97/572574197.db2.gz KTHJZJIYDIIDMA-UHFFFAOYSA-N 0 3 273.710 3.444 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3C=CCC3)nc21 ZINC000735790567 572740090 /nfs/dbraw/zinc/74/00/90/572740090.db2.gz NIDKPSIKQJHFTO-STQMWFEESA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@H]3C=CCC3)[nH]c21 ZINC000735790567 572740094 /nfs/dbraw/zinc/74/00/94/572740094.db2.gz NIDKPSIKQJHFTO-STQMWFEESA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CC=CCC3)nc21 ZINC000735790654 572741543 /nfs/dbraw/zinc/74/15/43/572741543.db2.gz OLHVCDWXLNXVBS-QWHCGFSZSA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CC=CCC3)[nH]c21 ZINC000735790654 572741546 /nfs/dbraw/zinc/74/15/46/572741546.db2.gz OLHVCDWXLNXVBS-QWHCGFSZSA-N 0 3 279.343 3.404 20 30 CGEDHN C=CCN(Cc1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000746147146 572857291 /nfs/dbraw/zinc/85/72/91/572857291.db2.gz JOXZNYSSXVEOIJ-UHFFFAOYSA-N 0 3 279.380 3.109 20 30 CGEDHN Cc1cccc(OCCCNCc2cc(C#N)cs2)c1 ZINC000748100133 572960665 /nfs/dbraw/zinc/96/06/65/572960665.db2.gz GJFLWKXNWNKYPR-UHFFFAOYSA-N 0 3 286.400 3.487 20 30 CGEDHN Fc1ccc(N=NC2CCCC[C@H]2N2CCCCC2)nc1 ZINC000748788042 572983683 /nfs/dbraw/zinc/98/36/83/572983683.db2.gz LADYBHSJAJZOJW-OAHLLOKOSA-N 0 3 290.386 3.417 20 30 CGEDHN c1ccc(N=NC2CCCC[C@H]2N2CCCCC2)nc1 ZINC000748782861 572983695 /nfs/dbraw/zinc/98/36/95/572983695.db2.gz YTGPZCUDEAXVRQ-OAHLLOKOSA-N 0 3 272.396 3.278 20 30 CGEDHN CC(C)CON=Cc1ccc(N(C)CCC#N)cc1 ZINC000749632390 573025541 /nfs/dbraw/zinc/02/55/41/573025541.db2.gz XGOLXGRFZZJPEA-UHFFFAOYSA-N 0 3 259.353 3.043 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578252 613326201 /nfs/dbraw/zinc/32/62/01/613326201.db2.gz CPDJTAKLSHXRJK-NVXWUHKLSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965450505 613332454 /nfs/dbraw/zinc/33/24/54/613332454.db2.gz QIBOROHTNHHIHA-RDJZCZTQSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974491305 613341150 /nfs/dbraw/zinc/34/11/50/613341150.db2.gz JTXUBZZJWOYLBX-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975059956 613341847 /nfs/dbraw/zinc/34/18/47/613341847.db2.gz XYRXNCFKXVTHPD-OAGGEKHMSA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000974565615 613545713 /nfs/dbraw/zinc/54/57/13/613545713.db2.gz IYDIODCWBHPAQI-CQSZACIVSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC000972536308 613612434 /nfs/dbraw/zinc/61/24/34/613612434.db2.gz KJVSEDBFIPUVKB-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC000980462592 613626451 /nfs/dbraw/zinc/62/64/51/613626451.db2.gz MWWMOPHQVGNZHE-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000969018174 613685298 /nfs/dbraw/zinc/68/52/98/613685298.db2.gz XJYPRZTUFKPHAP-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC000968733918 613687271 /nfs/dbraw/zinc/68/72/71/613687271.db2.gz XSJIEZKHRYPOJK-KRWDZBQOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000947956329 613752757 /nfs/dbraw/zinc/75/27/57/613752757.db2.gz BRLGXFDMWSRGLN-IUODEOHRSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C[C@H]1C ZINC000948078864 613754221 /nfs/dbraw/zinc/75/42/21/613754221.db2.gz PICJWNZVPNUQMC-RDTXWAMCSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000941098955 613799476 /nfs/dbraw/zinc/79/94/76/613799476.db2.gz IYVKPUHFHGRRAR-AWEZNQCLSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CC[C@H]1CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000890562612 617645876 /nfs/dbraw/zinc/64/58/76/617645876.db2.gz CESOFISUPKDOBE-KRWDZBQOSA-N 0 3 284.403 3.073 20 30 CGEDHN C=CCCCCCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000807571279 617856523 /nfs/dbraw/zinc/85/65/23/617856523.db2.gz HOYZCCQZYHJXHO-MRXNPFEDSA-N 0 3 293.455 3.001 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001021107520 617898382 /nfs/dbraw/zinc/89/83/82/617898382.db2.gz KUQASTYPJGHBCG-IHRRRGAJSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Br)CN[C@H]1CS[C@@H](C(C)C)C1 ZINC000308141324 618182539 /nfs/dbraw/zinc/18/25/39/618182539.db2.gz ISKXKYJKROXOKE-NXEZZACHSA-N 0 3 264.232 3.015 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2cc(C)cc(C)c2)CCC1 ZINC000933303334 618198125 /nfs/dbraw/zinc/19/81/25/618198125.db2.gz OLKDIFVRPUBJMF-OAHLLOKOSA-N 0 3 284.403 3.166 20 30 CGEDHN Fc1ccc(C#CCN[C@@H]2CCOC23CCCCC3)cc1 ZINC000933870791 618361653 /nfs/dbraw/zinc/36/16/53/618361653.db2.gz CZYVIQMYNOLLOR-QGZVFWFLSA-N 0 3 287.378 3.259 20 30 CGEDHN C=C(Br)CN[C@H](C)CCc1ccco1 ZINC000049566405 618635516 /nfs/dbraw/zinc/63/55/16/618635516.db2.gz LOGQUNUVHNEMMN-SNVBAGLBSA-N 0 3 258.159 3.099 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(Br)cc1C ZINC000309166533 618765828 /nfs/dbraw/zinc/76/58/28/618765828.db2.gz JGDBPFXWAWWSRU-CYBMUJFWSA-N 0 3 266.182 3.259 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000119322187 618976363 /nfs/dbraw/zinc/97/63/63/618976363.db2.gz MKZOUXRVRSFICL-CHWSQXEVSA-N 0 3 294.826 3.402 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@H](C)CC(C)(C)C#N)CO2 ZINC000925535080 619031163 /nfs/dbraw/zinc/03/11/63/619031163.db2.gz SUBNCSWVQCFZQJ-TZMCWYRMSA-N 0 3 258.365 3.347 20 30 CGEDHN C[C@H]1COC2(CCC2)CN1CCCCC1(C#N)CCC1 ZINC000930967906 619096874 /nfs/dbraw/zinc/09/68/74/619096874.db2.gz RVQUQOWOLVXTRZ-HNNXBMFYSA-N 0 3 276.424 3.494 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@H](Cc2nccs2)C1 ZINC000932205300 619309621 /nfs/dbraw/zinc/30/96/21/619309621.db2.gz WCTRXUTZQQHCJE-OLZOCXBDSA-N 0 3 263.410 3.090 20 30 CGEDHN C#CCN(Cc1cnc2onc(C)c2c1)C1CCCCC1 ZINC000893978730 619343865 /nfs/dbraw/zinc/34/38/65/619343865.db2.gz VUXMDTAFHGCDDC-UHFFFAOYSA-N 0 3 283.375 3.299 20 30 CGEDHN C#CCSCCNCc1ccc(Cl)cc1Cl ZINC000164316278 619529552 /nfs/dbraw/zinc/52/95/52/619529552.db2.gz QACCBQPIHKHLJE-UHFFFAOYSA-N 0 3 274.216 3.449 20 30 CGEDHN N#CC1(CN[C@H]2CCOC3(CCCCC3)C2)CCC1 ZINC000895025584 619698963 /nfs/dbraw/zinc/69/89/63/619698963.db2.gz KBPZPJNUFJFAGD-AWEZNQCLSA-N 0 3 262.397 3.152 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc3c(c2)CCCO3)C1 ZINC000895313107 619804305 /nfs/dbraw/zinc/80/43/05/619804305.db2.gz CQWIQLDWBDENKE-AWEZNQCLSA-N 0 3 270.376 3.137 20 30 CGEDHN C=CCC1(O)CCN(Cc2cccn2CCC(C)C)CC1 ZINC000895836133 619895226 /nfs/dbraw/zinc/89/52/26/619895226.db2.gz XCGRCXWZHRCADG-UHFFFAOYSA-N 0 3 290.451 3.437 20 30 CGEDHN CC[C@H](C)[C@H](CN(C)Cc1cc(C#N)cs1)OC ZINC000897624299 620411197 /nfs/dbraw/zinc/41/11/97/620411197.db2.gz HNZNYBCQOXYZQB-FZMZJTMJSA-N 0 3 266.410 3.113 20 30 CGEDHN C=CCC[C@H](CC)NCc1cc(C(F)(F)F)n(C)n1 ZINC000898021306 620468250 /nfs/dbraw/zinc/46/82/50/620468250.db2.gz BCFSXIOADATHFG-JTQLQIEISA-N 0 3 275.318 3.273 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2sccc2CC)CC1 ZINC000989724490 620521962 /nfs/dbraw/zinc/52/19/62/620521962.db2.gz GQDOMDRFYRMBEW-UHFFFAOYSA-N 0 3 292.448 3.035 20 30 CGEDHN C[C@@H](NCCCN(C)c1ccccc1)c1cc(C#N)ccn1 ZINC000902722833 621410796 /nfs/dbraw/zinc/41/07/96/621410796.db2.gz IGTNZMJYGFKSET-OAHLLOKOSA-N 0 3 294.402 3.130 20 30 CGEDHN Cc1cc(C)cc(OCCN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902772495 621435107 /nfs/dbraw/zinc/43/51/07/621435107.db2.gz SMXBHTMTNSGMLH-HNNXBMFYSA-N 0 3 295.386 3.300 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cc(C#N)ccn1 ZINC000903037547 621538123 /nfs/dbraw/zinc/53/81/23/621538123.db2.gz AMOOCGJEKDZYCH-CORIIIEPSA-N 0 3 257.381 3.429 20 30 CGEDHN C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1cc(C#N)ccn1 ZINC000903043994 621553971 /nfs/dbraw/zinc/55/39/71/621553971.db2.gz IRKLFHYALINVRS-DZGCQCFKSA-N 0 3 285.391 3.096 20 30 CGEDHN Cc1cccc(C[C@@H](NCC(C)(C)C#N)C2CC2)c1 ZINC000903100012 621573548 /nfs/dbraw/zinc/57/35/48/621573548.db2.gz FZEWBRGZVRHGLF-MRXNPFEDSA-N 0 3 256.393 3.456 20 30 CGEDHN Cc1ccc(C[C@@H](NCC(C)(C)C#N)C2CC2)cc1 ZINC000903100732 621574861 /nfs/dbraw/zinc/57/48/61/621574861.db2.gz WMZOQNIRAFREIA-MRXNPFEDSA-N 0 3 256.393 3.456 20 30 CGEDHN C=CCC[C@H](NCC1(C#N)CC1)[C@]1(C)CCCCO1 ZINC000903109599 621582803 /nfs/dbraw/zinc/58/28/03/621582803.db2.gz SFYUDYGKSLTTCX-GJZGRUSLSA-N 0 3 262.397 3.174 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000903295594 621663686 /nfs/dbraw/zinc/66/36/86/621663686.db2.gz WDYWBQHOFXRVPL-UKRRQHHQSA-N 0 3 298.386 3.119 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](c2ncccn2)C2CC2)C1 ZINC000903321633 621676839 /nfs/dbraw/zinc/67/68/39/621676839.db2.gz BGWAEVJTOXMHAD-SNPRPXQTSA-N 0 3 257.381 3.262 20 30 CGEDHN CC(C)COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905080868 622032688 /nfs/dbraw/zinc/03/26/88/622032688.db2.gz MSHSWEXICFUWBA-AAWHYMEISA-N 0 3 297.358 3.154 20 30 CGEDHN CCC1(c2ccccc2)CN(C[C@H](O)CC2(C#N)CCC2)C1 ZINC000905955614 622132748 /nfs/dbraw/zinc/13/27/48/622132748.db2.gz IWTPORFLFKNGPM-QGZVFWFLSA-N 0 3 298.430 3.095 20 30 CGEDHN N#CC(C(=O)C=CSCc1ccco1)c1ccccn1 ZINC000150927879 622695318 /nfs/dbraw/zinc/69/53/18/622695318.db2.gz NZIQCHBMIPOVNO-PPGNKHEKSA-N 0 3 284.340 3.298 20 30 CGEDHN CCCCCCCCC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912921827 622711316 /nfs/dbraw/zinc/71/13/16/622711316.db2.gz KNLQVQMMKIPGMU-HNNXBMFYSA-N 0 3 266.429 3.044 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000171562857 623173293 /nfs/dbraw/zinc/17/32/93/623173293.db2.gz OICYMDAHXOJOHX-KBPBESRZSA-N 0 3 281.359 3.223 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2ccccc2)cc1C#N ZINC000087822230 623245798 /nfs/dbraw/zinc/24/57/98/623245798.db2.gz RPZFOSVUZDUMHH-ZDUSSCGKSA-N 0 3 266.344 3.418 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@@](C)(CO)c1ccccc1 ZINC000929602730 623475938 /nfs/dbraw/zinc/47/59/38/623475938.db2.gz HUTHYNDXTALUIX-IBGZPJMESA-N 0 3 294.398 3.172 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)ccc3C)CCC[C@@H]12 ZINC000992453054 623568989 /nfs/dbraw/zinc/56/89/89/623568989.db2.gz DPMCMMJFXGBRDG-IEBWSBKVSA-N 0 3 298.430 3.216 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993051282 623806852 /nfs/dbraw/zinc/80/68/52/623806852.db2.gz RWWQGHPBSWLZLN-CZUORRHYSA-N 0 3 290.407 3.055 20 30 CGEDHN CC(C)[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000073089488 624068987 /nfs/dbraw/zinc/06/89/87/624068987.db2.gz FXDAJACMWKBCGD-WDEREUQCSA-N 0 3 256.305 3.296 20 30 CGEDHN C#CCN(C[C@@H]1CCCCO1)[C@@H]1CCc2ccccc21 ZINC000917117234 624242312 /nfs/dbraw/zinc/24/23/12/624242312.db2.gz GDRHPIYRAPJZSK-FUHWJXTLSA-N 0 3 269.388 3.178 20 30 CGEDHN CCCCCCCCC(=O)N[C@H]1CCCN(CC)C1 ZINC000918396091 624346130 /nfs/dbraw/zinc/34/61/30/624346130.db2.gz DECXPACKQICISA-HNNXBMFYSA-N 0 3 268.445 3.338 20 30 CGEDHN CCCCCCCCNCc1cn(C(C)(C)C)nn1 ZINC000232931360 624454889 /nfs/dbraw/zinc/45/48/89/624454889.db2.gz YVOLMBOHZQABCH-UHFFFAOYSA-N 0 3 266.433 3.483 20 30 CGEDHN C#CCN(CCOC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000920258524 624463581 /nfs/dbraw/zinc/46/35/81/624463581.db2.gz OYOKTAOLPZVQFA-QGZVFWFLSA-N 0 3 271.404 3.424 20 30 CGEDHN C#CCCOc1ccc(CNc2cccc(N(C)C)n2)cc1 ZINC000180526413 624757110 /nfs/dbraw/zinc/75/71/10/624757110.db2.gz FYQYJOJWBFXNNW-UHFFFAOYSA-N 0 3 295.386 3.162 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000181254674 624834662 /nfs/dbraw/zinc/83/46/62/624834662.db2.gz DZFUPNARRGRRPA-ZDUSSCGKSA-N 0 3 273.298 3.247 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC000999233642 625827057 /nfs/dbraw/zinc/82/70/57/625827057.db2.gz AVCYUCJMTJPPIP-NFOMZHRRSA-N 0 3 296.842 3.064 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC000999250403 625827178 /nfs/dbraw/zinc/82/71/78/625827178.db2.gz OQXWBKAYJLUVJB-RUXDESIVSA-N 0 3 298.858 3.144 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC001003789686 625992602 /nfs/dbraw/zinc/99/26/02/625992602.db2.gz YZOVAOVCKFTJBF-UHFFFAOYSA-N 0 3 296.414 3.026 20 30 CGEDHN C=CCCn1cc(CNCCC2(c3ccccc3)CC2)nn1 ZINC000922446292 626006293 /nfs/dbraw/zinc/00/62/93/626006293.db2.gz KXPVXDLXAFANIQ-UHFFFAOYSA-N 0 3 296.418 3.066 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2CCCCCC2)CC1 ZINC001005173490 626088208 /nfs/dbraw/zinc/08/82/08/626088208.db2.gz GOIHYWPXSILJFG-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C#CCC1(NCc2ccc(F)c(F)c2F)CCC1 ZINC000922998958 626117160 /nfs/dbraw/zinc/11/71/60/626117160.db2.gz OCFDTNPZXBKXNA-UHFFFAOYSA-N 0 3 253.267 3.140 20 30 CGEDHN Cc1ccc(C)c(N=NC2C[C@H](C)N(C3CC3)C2)c1 ZINC000753956991 626470031 /nfs/dbraw/zinc/47/00/31/626470031.db2.gz ZEBQXUOYVHEWRF-ZDUSSCGKSA-N 0 3 257.381 3.328 20 30 CGEDHN CCCCCCCCN[C@@H](C(N)=O)c1ccccc1 ZINC000754693488 626582632 /nfs/dbraw/zinc/58/26/32/626582632.db2.gz JFFFRXJEGANYCU-OAHLLOKOSA-N 0 3 262.397 3.163 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000809686151 626776785 /nfs/dbraw/zinc/77/67/85/626776785.db2.gz VHCIYTOMQZNZPT-UKRRQHHQSA-N 0 3 275.392 3.374 20 30 CGEDHN C[C@@H]1CC(N=Nc2cccc3ccccc32)CN1C ZINC000761812326 627062869 /nfs/dbraw/zinc/06/28/69/627062869.db2.gz NOVAVYWMDZZUCY-GFCCVEGCSA-N 0 3 253.349 3.332 20 30 CGEDHN CCCCCCCCCNC(=O)C1(N(C)C)CCC1 ZINC000763021409 627136360 /nfs/dbraw/zinc/13/63/60/627136360.db2.gz RAWSYZIVEDJMOH-UHFFFAOYSA-N 0 3 268.445 3.338 20 30 CGEDHN C#CCN(Cc1ccc(Cl)c2cccnc12)C1CC1 ZINC000763956645 627187660 /nfs/dbraw/zinc/18/76/60/627187660.db2.gz UHGGGSTZQQTFPV-UHFFFAOYSA-N 0 3 270.763 3.486 20 30 CGEDHN C#CCOc1ccc(CN[C@H](C)CC(F)(F)F)cc1 ZINC000766479691 627335786 /nfs/dbraw/zinc/33/57/86/627335786.db2.gz OTRINQLZENQTEW-LLVKDONJSA-N 0 3 271.282 3.129 20 30 CGEDHN Cn1cncc1CN=Nc1c(Cl)cc(F)cc1Cl ZINC000767909249 627443640 /nfs/dbraw/zinc/44/36/40/627443640.db2.gz GIYAVVOEJLFZBN-UHFFFAOYSA-N 0 3 287.125 3.312 20 30 CGEDHN C#CCN(Cc1n[nH]c2ccccc21)C1CCCCC1 ZINC000769145141 627525579 /nfs/dbraw/zinc/52/55/79/627525579.db2.gz CTCVSRPIDVZCSD-UHFFFAOYSA-N 0 3 267.376 3.331 20 30 CGEDHN C#CCN(Cc1[nH]nc2ccccc21)C1CCCCC1 ZINC000769145141 627525580 /nfs/dbraw/zinc/52/55/80/627525580.db2.gz CTCVSRPIDVZCSD-UHFFFAOYSA-N 0 3 267.376 3.331 20 30 CGEDHN C#CCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000769228525 627532651 /nfs/dbraw/zinc/53/26/51/627532651.db2.gz BSSPVSNDYIZIJP-UHFFFAOYSA-N 0 3 261.315 3.467 20 30 CGEDHN C#CCCOc1ccc(CN2CCS[C@H](CC)C2)cc1 ZINC000769445587 627552762 /nfs/dbraw/zinc/55/27/62/627552762.db2.gz HAQRYSPNZGBQRL-QGZVFWFLSA-N 0 3 289.444 3.416 20 30 CGEDHN C#CCOc1ccccc1CN1CCC(C(F)F)CC1 ZINC000769446397 627552928 /nfs/dbraw/zinc/55/29/28/627552928.db2.gz OGVBTGSYWQTLFH-UHFFFAOYSA-N 0 3 279.330 3.176 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000769447446 627553900 /nfs/dbraw/zinc/55/39/00/627553900.db2.gz ZMFBFGYTYHXUGH-GFCCVEGCSA-N 0 3 294.345 3.455 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1OC ZINC000770002218 627596929 /nfs/dbraw/zinc/59/69/29/627596929.db2.gz KLAXFPJVLZCNIY-YDHLFZDLSA-N 0 3 258.365 3.428 20 30 CGEDHN Cc1ccc([C@H](C)NCc2ccc(C#N)cc2)c(C)n1 ZINC000771378608 627704606 /nfs/dbraw/zinc/70/46/06/627704606.db2.gz BCWXKNUSLYLXNE-ZDUSSCGKSA-N 0 3 265.360 3.421 20 30 CGEDHN Cc1nc2ccccn2c1CN[C@@H](C)c1cccc(C#N)c1 ZINC000775335934 628083552 /nfs/dbraw/zinc/08/35/52/628083552.db2.gz UWJRPASUTWRSOA-ZDUSSCGKSA-N 0 3 290.370 3.365 20 30 CGEDHN C#C[C@@H](NCc1cc2ccccc2s1)[C@H]1CCCO1 ZINC000775346538 628085511 /nfs/dbraw/zinc/08/55/11/628085511.db2.gz UUZQNASIVQBMST-HUUCEWRRSA-N 0 3 271.385 3.172 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000775554889 628106456 /nfs/dbraw/zinc/10/64/56/628106456.db2.gz ZCOJZTGPYAXQRV-MFKMUULPSA-N 0 3 289.297 3.173 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cc(C)ccc1C)[C@H]1CCCO1 ZINC000775574469 628109569 /nfs/dbraw/zinc/10/95/69/628109569.db2.gz PNBJPFPMCIQLIS-HYVNUMGLSA-N 0 3 257.377 3.135 20 30 CGEDHN C#CCN(Cc1cccc2nccn21)C1CCCCC1 ZINC000775664892 628122425 /nfs/dbraw/zinc/12/24/25/628122425.db2.gz QRGNSDFRKMXKBV-UHFFFAOYSA-N 0 3 267.376 3.102 20 30 CGEDHN Cc1cccc2ncc(C=NNc3cc(Cl)ccn3)n21 ZINC000777913663 628310471 /nfs/dbraw/zinc/31/04/71/628310471.db2.gz PLTQFDQAOFGSDH-UHFFFAOYSA-N 0 3 285.738 3.137 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCCS1 ZINC000778177291 628331488 /nfs/dbraw/zinc/33/14/88/628331488.db2.gz UHNRQNWSLDBLCS-GFCCVEGCSA-N 0 3 295.835 3.337 20 30 CGEDHN COc1ccc(N=NC2C[C@@H](C)N(C3CC3)C2)cc1Cl ZINC000782230339 628627644 /nfs/dbraw/zinc/62/76/44/628627644.db2.gz MDKRAYSYBLPCMH-SNVBAGLBSA-N 0 3 293.798 3.373 20 30 CGEDHN C=CCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000786435811 628932912 /nfs/dbraw/zinc/93/29/12/628932912.db2.gz IOIUGVOPANPCIZ-UHFFFAOYSA-N 0 3 264.756 3.250 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000862446762 629379922 /nfs/dbraw/zinc/37/99/22/629379922.db2.gz DEWISXMNJNPIQI-GFCCVEGCSA-N 0 3 272.373 3.248 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CSC[C@H]2C)c([O-])c1 ZINC000794675432 629564799 /nfs/dbraw/zinc/56/47/99/629564799.db2.gz BBUYDNICIULCRR-RPBHGJHRSA-N 0 3 292.448 3.409 20 30 CGEDHN C=C(C)COCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794814694 629581011 /nfs/dbraw/zinc/58/10/11/629581011.db2.gz HZYZEEVXGYJZQP-HNNXBMFYSA-N 0 3 263.381 3.334 20 30 CGEDHN C#CCCN1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000795398021 629669734 /nfs/dbraw/zinc/66/97/34/629669734.db2.gz TYJPRMHNDXKPJL-GFCCVEGCSA-N 0 3 280.774 3.013 20 30 CGEDHN C[C@@H](C#N)OCCN(Cc1ccccc1Cl)CC1CC1 ZINC000796260674 629758133 /nfs/dbraw/zinc/75/81/33/629758133.db2.gz NQYNNRGUTKRDNQ-ZDUSSCGKSA-N 0 3 292.810 3.481 20 30 CGEDHN N#CC(C(=O)[C@H]1CCC(F)(F)C1)c1nc2ccccc2[nH]1 ZINC000796619582 629806180 /nfs/dbraw/zinc/80/61/80/629806180.db2.gz PLHOOYKJANSVAK-VHSXEESVSA-N 0 3 289.285 3.175 20 30 CGEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000796788223 629834271 /nfs/dbraw/zinc/83/42/71/629834271.db2.gz INFFHBGYQRVJBA-DOMZBBRYSA-N 0 3 286.375 3.469 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000797998314 630013367 /nfs/dbraw/zinc/01/33/67/630013367.db2.gz FYSFSAOXYSSILX-WWGRRREGSA-N 0 3 261.365 3.024 20 30 CGEDHN C=CC[C@H](CC)NCc1cccnc1Br ZINC000865552564 630185319 /nfs/dbraw/zinc/18/53/19/630185319.db2.gz BTUVFLMMDOKAGZ-NSHDSACASA-N 0 3 269.186 3.288 20 30 CGEDHN C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808710238 630297026 /nfs/dbraw/zinc/29/70/26/630297026.db2.gz NOZRPQNUIIADRK-RYUDHWBXSA-N 0 3 283.799 3.189 20 30 CGEDHN CCCCCCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000801553459 630342971 /nfs/dbraw/zinc/34/29/71/630342971.db2.gz WPTGCLXPIIADGE-UHFFFAOYSA-N 0 3 286.423 3.046 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573784 630344525 /nfs/dbraw/zinc/34/45/25/630344525.db2.gz HWYHJHSOWKNWNR-RHSMWYFYSA-N 0 3 294.439 3.025 20 30 CGEDHN C[C@@H](C#N)OCCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000801924002 630368124 /nfs/dbraw/zinc/36/81/24/630368124.db2.gz PTPBPRCFLACWHO-DVOMOZLQSA-N 0 3 276.355 3.137 20 30 CGEDHN C[C@H](C#N)OCCN[C@@H](C)c1cc2ccccc2o1 ZINC000801947913 630372981 /nfs/dbraw/zinc/37/29/81/630372981.db2.gz IHCKYAYBCIROCK-NEPJUHHUSA-N 0 3 258.321 3.012 20 30 CGEDHN C[C@@H](NCC(C)(C)CCC#N)c1cn(-c2ccccc2)nn1 ZINC000806177287 630553891 /nfs/dbraw/zinc/55/38/91/630553891.db2.gz XRIWTFCBUNZTPP-CQSZACIVSA-N 0 3 297.406 3.248 20 30 CGEDHN C=C(CNC(=O)CN(C)CCCCCC)c1ccccc1 ZINC000807798125 630599325 /nfs/dbraw/zinc/59/93/25/630599325.db2.gz OTQBSOPIEPJCRW-UHFFFAOYSA-N 0 3 288.435 3.328 20 30 CGEDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C#N)cc1 ZINC000808676763 630663098 /nfs/dbraw/zinc/66/30/98/630663098.db2.gz KYGJXCIDZZNAMR-MRXNPFEDSA-N 0 3 296.345 3.483 20 30 CGEDHN C=CCOCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808713478 630669076 /nfs/dbraw/zinc/66/90/76/630669076.db2.gz NJLKXVDQWUCPQP-LLVKDONJSA-N 0 3 269.772 3.207 20 30 CGEDHN C#Cc1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000809610715 630762239 /nfs/dbraw/zinc/76/22/39/630762239.db2.gz BDHCIOITFDQXSJ-UHFFFAOYSA-N 0 3 260.340 3.439 20 30 CGEDHN C#C[C@H](C)NCc1ccc(OC)c(OCc2ccccc2)c1 ZINC000809683036 630779366 /nfs/dbraw/zinc/77/93/66/630779366.db2.gz MWOQIRWIYJISPB-HNNXBMFYSA-N 0 3 295.382 3.386 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(OC)c(OCc2ccccc2)c1 ZINC000809683037 630779769 /nfs/dbraw/zinc/77/97/69/630779769.db2.gz MWOQIRWIYJISPB-OAHLLOKOSA-N 0 3 295.382 3.386 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000809684218 630779957 /nfs/dbraw/zinc/77/99/57/630779957.db2.gz SJTODTOZWDVTOU-LLVKDONJSA-N 0 3 286.356 3.435 20 30 CGEDHN C#C[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)C(C)C ZINC000809685367 630780520 /nfs/dbraw/zinc/78/05/20/630780520.db2.gz PPELCMCJJGVYJV-INIZCTEOSA-N 0 3 287.794 3.273 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@H](C3CC3)C2)n1 ZINC000810145954 630846560 /nfs/dbraw/zinc/84/65/60/630846560.db2.gz KXOKNRLFKJAELI-RYUDHWBXSA-N 0 3 261.394 3.073 20 30 CGEDHN C#C[C@@H](N[C@@H](C)CCn1cccn1)c1ccc(Cl)cc1 ZINC000811517461 631081881 /nfs/dbraw/zinc/08/18/81/631081881.db2.gz SZSLRNLCEBUELH-XJKSGUPXSA-N 0 3 287.794 3.279 20 30 CGEDHN C=CCCCCCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000811589560 631088273 /nfs/dbraw/zinc/08/82/73/631088273.db2.gz ARUBHIBQUADSAA-MRXNPFEDSA-N 0 3 278.440 3.256 20 30 CGEDHN CCN(C)c1ccc(C(C)=NNC[C@@H]2CCSC2)cc1 ZINC000811661395 631103094 /nfs/dbraw/zinc/10/30/94/631103094.db2.gz KKAVRDMQLMWISD-AWEZNQCLSA-N 0 3 291.464 3.209 20 30 CGEDHN C[C@H](COc1ccccc1)NN=Cc1ccc(N(C)C)cc1 ZINC000811664892 631105624 /nfs/dbraw/zinc/10/56/24/631105624.db2.gz JHXJPTNTCFEEAH-OAHLLOKOSA-N 0 3 297.402 3.144 20 30 CGEDHN C#C[C@H](N[C@@H](C)Cc1cccc(OC)n1)c1ccc(F)cc1 ZINC000812793712 631312337 /nfs/dbraw/zinc/31/23/37/631312337.db2.gz BOAJBWFYRKNYIE-GUYCJALGSA-N 0 3 298.361 3.124 20 30 CGEDHN CC1(CNN=C2CCCc3ccc(N)cc32)CCCC1 ZINC000814938298 631692768 /nfs/dbraw/zinc/69/27/68/631692768.db2.gz ZOBPBUPNLVXNEX-UHFFFAOYSA-N 0 3 271.408 3.479 20 30 CGEDHN C[C@@H]1[C@@H](C)CN1Cc1cccc(OCCCC#N)c1 ZINC000816648200 632036317 /nfs/dbraw/zinc/03/63/17/632036317.db2.gz GLKKQXIJAZFNDB-UONOGXRCSA-N 0 3 258.365 3.209 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(OC)c1OC ZINC000866342079 633088305 /nfs/dbraw/zinc/08/83/05/633088305.db2.gz RDIMXGREVAXBLB-IPYPFGDCSA-N 0 3 288.391 3.437 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000866499917 633162497 /nfs/dbraw/zinc/16/24/97/633162497.db2.gz OTIDOSRKWGSFAA-ZLKJLUDKSA-N 0 3 283.293 3.300 20 30 CGEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cccnc1Cl ZINC000866617338 633216495 /nfs/dbraw/zinc/21/64/95/633216495.db2.gz HMROYSYMJZEANH-XHDPSFHLSA-N 0 3 297.789 3.425 20 30 CGEDHN CC[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccccc1[O-] ZINC000866617434 633217269 /nfs/dbraw/zinc/21/72/69/633217269.db2.gz JIOMNOKOPZNPGL-SJLPKXTDSA-N 0 3 292.382 3.472 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000876587471 634862524 /nfs/dbraw/zinc/86/25/24/634862524.db2.gz SFIRXOJZYWZATC-RWMBFGLXSA-N 0 3 286.847 3.177 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000876561855 634857505 /nfs/dbraw/zinc/85/75/05/634857505.db2.gz MDQOAIDUKGQXRR-LSDHHAIUSA-N 0 3 294.826 3.360 20 30 CGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000829769664 633778590 /nfs/dbraw/zinc/77/85/90/633778590.db2.gz YVABRPHQGMUBGE-IAGOWNOFSA-N 0 3 298.430 3.163 20 30 CGEDHN C#CC1CCN(Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000830305244 633848216 /nfs/dbraw/zinc/84/82/16/633848216.db2.gz JGUQRTWFXHAMFM-UHFFFAOYSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CC1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000830321205 633849051 /nfs/dbraw/zinc/84/90/51/633849051.db2.gz BDRIFZSVMJHAFL-UHFFFAOYSA-N 0 3 257.377 3.319 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cccc(O)c1F ZINC000872085050 634010421 /nfs/dbraw/zinc/01/04/21/634010421.db2.gz MUUVCNXIQCCELW-NSHDSACASA-N 0 3 269.385 3.491 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834887503 634267857 /nfs/dbraw/zinc/26/78/57/634267857.db2.gz GQTTYXGMTHRQME-HONMWMINSA-N 0 3 281.783 3.348 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000873193611 634278762 /nfs/dbraw/zinc/27/87/62/634278762.db2.gz MUZZIMIERPHREQ-ROUUACIJSA-N 0 3 298.361 3.299 20 30 CGEDHN C=CCON=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000835015706 634317931 /nfs/dbraw/zinc/31/79/31/634317931.db2.gz MZRXLMAUHRCBNV-UHFFFAOYSA-N 0 3 288.391 3.218 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Cl)c(C)c1 ZINC000876955189 634936588 /nfs/dbraw/zinc/93/65/88/634936588.db2.gz VCFMIWDMAUAOQA-NSHDSACASA-N 0 3 273.163 3.057 20 30 CGEDHN C[C@@H](Cc1ccsc1)NCc1cc(C#N)cnc1Cl ZINC000876959602 634937307 /nfs/dbraw/zinc/93/73/07/634937307.db2.gz VSMQZKVNEOLLED-JTQLQIEISA-N 0 3 291.807 3.389 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1cc(C)ccc1C ZINC000877064597 634968325 /nfs/dbraw/zinc/96/83/25/634968325.db2.gz BLYFVMTYJNPHRH-GJZGRUSLSA-N 0 3 294.826 3.341 20 30 CGEDHN CC(C)CSCCCNCc1cc(C#N)cnc1Cl ZINC000877120632 634990018 /nfs/dbraw/zinc/99/00/18/634990018.db2.gz KVGALFRTDKMYOG-UHFFFAOYSA-N 0 3 297.855 3.476 20 30 CGEDHN CCN(CC)c1ccc(/C=N/CC(C)(F)F)c(O)c1 ZINC000840706773 635038096 /nfs/dbraw/zinc/03/80/96/635038096.db2.gz PLWUQLHZGKAPNE-RQZCQDPDSA-N 0 3 270.323 3.313 20 30 CGEDHN C[C@H](CCOCc1ccccc1)NCC1(C#N)CCC1 ZINC000877594105 635105908 /nfs/dbraw/zinc/10/59/08/635105908.db2.gz BRZROPKHWNYSSL-OAHLLOKOSA-N 0 3 272.392 3.265 20 30 CGEDHN C#CCCCCCCNC(C)(C)c1cn(C(C)C)nn1 ZINC000877598696 635106636 /nfs/dbraw/zinc/10/66/36/635106636.db2.gz RPGYCYOVARQGJO-UHFFFAOYSA-N 0 3 276.428 3.267 20 30 CGEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCCC23CC3)c1 ZINC000877664672 635137730 /nfs/dbraw/zinc/13/77/30/635137730.db2.gz VPOHBCLPOHZCND-GFCCVEGCSA-N 0 3 261.756 3.029 20 30 CGEDHN COCCON=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841627909 635201521 /nfs/dbraw/zinc/20/15/21/635201521.db2.gz GGQWKJZNPCATTP-KRWDZBQOSA-N 0 3 288.391 3.005 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CCCC[C@H]1C)c1ccccc1 ZINC000877935328 635278974 /nfs/dbraw/zinc/27/89/74/635278974.db2.gz JNDUFNZKSXFOTH-CRAIPNDOSA-N 0 3 284.403 3.301 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CCCCCC1)c1ccccc1 ZINC000877942952 635281501 /nfs/dbraw/zinc/28/15/01/635281501.db2.gz UZGYNNZCOHYGNG-SFHVURJKSA-N 0 3 284.403 3.303 20 30 CGEDHN C#C[C@@H](N[C@@H](C)CCOC)c1ccc(Br)cc1 ZINC000842150592 635296761 /nfs/dbraw/zinc/29/67/61/635296761.db2.gz HDSLWSNNRZHCFK-SMDDNHRTSA-N 0 3 296.208 3.138 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CCC(C)(C)C1)c1ccccc1 ZINC000878149289 635379332 /nfs/dbraw/zinc/37/93/32/635379332.db2.gz MYOKOLOIOIGIGI-SFHVURJKSA-N 0 3 284.403 3.159 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC2(CCC2)C1 ZINC000842677967 635437736 /nfs/dbraw/zinc/43/77/36/635437736.db2.gz OQLPPBCKHKMMEO-CYBMUJFWSA-N 0 3 293.370 3.330 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1nc(C2CC2)cs1)C(C)(F)F ZINC000842941627 635521928 /nfs/dbraw/zinc/52/19/28/635521928.db2.gz BWLZABYJFSNPBF-VXNVDRBHSA-N 0 3 284.331 3.488 20 30 CGEDHN C=C(C)CN[C@H](COC)c1cccc(Br)c1 ZINC000879662341 635830530 /nfs/dbraw/zinc/83/05/30/635830530.db2.gz XDPIZHFKYJGVOB-CYBMUJFWSA-N 0 3 284.197 3.302 20 30 CGEDHN C[C@@H](C#N)OCCNC1(c2ccccc2Cl)CCC1 ZINC000844351739 635876401 /nfs/dbraw/zinc/87/64/01/635876401.db2.gz PYCHZTWKYBNNHG-LBPRGKRZSA-N 0 3 278.783 3.237 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455589 635907904 /nfs/dbraw/zinc/90/79/04/635907904.db2.gz RNARTZHIHAWXIK-OKILXGFUSA-N 0 3 276.330 3.185 20 30 CGEDHN C[C@H](c1ccccc1)N1CCN([C@@H](C)CCC#N)CC1 ZINC000880251065 635956528 /nfs/dbraw/zinc/95/65/28/635956528.db2.gz PQXPEBIXXVSYLD-JKSUJKDBSA-N 0 3 271.408 3.057 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1C)[C@@H](CO)c1ccccc1 ZINC000880463197 636005822 /nfs/dbraw/zinc/00/58/22/636005822.db2.gz LIFNPNCCUOTQIV-IBGZPJMESA-N 0 3 294.398 3.422 20 30 CGEDHN C#CCC1(O)CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000880484483 636009004 /nfs/dbraw/zinc/00/90/04/636009004.db2.gz XGDPUZBDFXTGPU-ARJAWSKDSA-N 0 3 289.806 3.203 20 30 CGEDHN C=CCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876740 636113317 /nfs/dbraw/zinc/11/33/17/636113317.db2.gz OEQPLTOSKCNSIZ-NHYWBVRUSA-N 0 3 295.310 3.432 20 30 CGEDHN C=CCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878134 636113371 /nfs/dbraw/zinc/11/33/71/636113371.db2.gz UQISDUCPESNKKI-HZMBPMFUSA-N 0 3 281.283 3.041 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@](C)(O)c1ccccc1 ZINC000846039924 636136111 /nfs/dbraw/zinc/13/61/11/636136111.db2.gz VMBHPAYXQODWTE-ACJLOTCBSA-N 0 3 298.361 3.083 20 30 CGEDHN C[C@H](NCC1(Br)CC1)c1ccc(C#N)cc1 ZINC000846846350 636258597 /nfs/dbraw/zinc/25/85/97/636258597.db2.gz UVKSBWVAURNSAM-JTQLQIEISA-N 0 3 279.181 3.136 20 30 CGEDHN O=[N+]([O-])c1ccccc1N=NC1CCCN2CCCC[C@H]12 ZINC000848399342 636567102 /nfs/dbraw/zinc/56/71/02/636567102.db2.gz OFKOPCJBPVJUHF-CQSZACIVSA-N 0 3 288.351 3.011 20 30 CGEDHN c1ccc2c(c1)cnnc2N=NC1CCCN2CCCC[C@H]12 ZINC000848399363 636567213 /nfs/dbraw/zinc/56/72/13/636567213.db2.gz OYQPDVXVANXDLD-MRXNPFEDSA-N 0 3 295.390 3.046 20 30 CGEDHN COc1ccc(N=NC2CCCN3CCCC[C@@H]23)cc1 ZINC000848407307 636568862 /nfs/dbraw/zinc/56/88/62/636568862.db2.gz OPQREYFHGIIIQM-INIZCTEOSA-N 0 3 273.380 3.111 20 30 CGEDHN C=CCC[C@H](NCc1c(CC)noc1CC)[C@@H]1CCCO1 ZINC000883196782 636578583 /nfs/dbraw/zinc/57/85/83/636578583.db2.gz VZKCZHXJCRPERR-RDJZCZTQSA-N 0 3 292.423 3.403 20 30 CGEDHN C=CCCC[C@H](NC[C@@H](C)S(C)(=O)=O)c1ccccc1 ZINC000883207782 636585719 /nfs/dbraw/zinc/58/57/19/636585719.db2.gz SNZCMLSYZBYOTR-ZBFHGGJFSA-N 0 3 295.448 3.107 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000848923836 636695585 /nfs/dbraw/zinc/69/55/85/636695585.db2.gz QXZRQEMYCJRFDJ-OAHLLOKOSA-N 0 3 287.403 3.328 20 30 CGEDHN C=CCCn1cc(CNCC2CCCCCCC2)nn1 ZINC000850037656 636931172 /nfs/dbraw/zinc/93/11/72/636931172.db2.gz GABBVFMVNWHGKU-UHFFFAOYSA-N 0 3 276.428 3.304 20 30 CGEDHN C=CCOc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000134237277 637008915 /nfs/dbraw/zinc/00/89/15/637008915.db2.gz KTYXJDGSOSEHTN-UHFFFAOYSA-N 0 3 269.344 3.247 20 30 CGEDHN COc1cncc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000850328735 637019118 /nfs/dbraw/zinc/01/91/18/637019118.db2.gz XFEHDETXLGYWRR-SFHVURJKSA-N 0 3 293.370 3.129 20 30 CGEDHN C[C@@H](c1ccccc1F)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000885959032 637331711 /nfs/dbraw/zinc/33/17/11/637331711.db2.gz QUFHKQWWCLBPMS-UONOGXRCSA-N 0 3 290.382 3.263 20 30 CGEDHN C=CCCSCCNCc1ccc(OC)c(OC)c1F ZINC000886157725 637441087 /nfs/dbraw/zinc/44/10/87/637441087.db2.gz JCIGSPVXWSZIIC-UHFFFAOYSA-N 0 3 299.411 3.242 20 30 CGEDHN C#CCN(CCO[C@H]1CC1(F)F)[C@H]1CCc2ccccc21 ZINC000851735650 637483771 /nfs/dbraw/zinc/48/37/71/637483771.db2.gz HNJWMTANDPWICT-HOTGVXAUSA-N 0 3 291.341 3.033 20 30 CGEDHN C#CCOCCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000851799694 637507774 /nfs/dbraw/zinc/50/77/74/637507774.db2.gz PHNKTFWNEWLJMM-MRXNPFEDSA-N 0 3 261.340 3.003 20 30 CGEDHN C#C[C@](C)(CC)NCc1ccc(SC)c(OC)c1 ZINC000852099321 637592737 /nfs/dbraw/zinc/59/27/37/637592737.db2.gz JVBHKTQTRBHMBC-OAHLLOKOSA-N 0 3 263.406 3.309 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cncc3ccccc32)C1 ZINC000852319968 637634398 /nfs/dbraw/zinc/63/43/98/637634398.db2.gz UGPFGMMOIYKUPK-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN CO[C@@H](C=Nn1cnc2ccccc21)C1CCCC1 ZINC000853284120 637800028 /nfs/dbraw/zinc/80/00/28/637800028.db2.gz QGOLNMIHRNMLQG-HNNXBMFYSA-N 0 3 257.337 3.075 20 30 CGEDHN C#C[C@@H](NCc1cc(Br)cs1)C(C)C ZINC000300907556 637855916 /nfs/dbraw/zinc/85/59/16/637855916.db2.gz LNFAICAJPLYUSX-LLVKDONJSA-N 0 3 272.211 3.258 20 30 CGEDHN C=CC[C@@H]1CCCN(Cn2nccc2-c2ccncc2)C1 ZINC000853536384 637864503 /nfs/dbraw/zinc/86/45/03/637864503.db2.gz BNRRLXBNUCQERR-OAHLLOKOSA-N 0 3 282.391 3.191 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)CC(C)(C)C#N)CO2 ZINC000925535074 638522309 /nfs/dbraw/zinc/52/23/09/638522309.db2.gz SUBNCSWVQCFZQJ-GXTWGEPZSA-N 0 3 258.365 3.347 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000115534854 638565296 /nfs/dbraw/zinc/56/52/96/638565296.db2.gz QXZOWYOGOKYTOD-IBGZPJMESA-N 0 3 297.398 3.417 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CC=C(C(=O)OC)C1)c1ccco1 ZINC000858471764 638728098 /nfs/dbraw/zinc/72/80/98/638728098.db2.gz FADYPDFVDIYCES-ZIAGYGMSSA-N 0 3 275.348 3.138 20 30 CGEDHN CC[C@@H](NCC(C)(C)CC#N)c1cccc(OC)n1 ZINC000926568578 638786395 /nfs/dbraw/zinc/78/63/95/638786395.db2.gz NBLMIXHQDDNGSS-GFCCVEGCSA-N 0 3 261.369 3.071 20 30 CGEDHN C=CC(C)(C)CCCN[C@H](C)c1cc(OC)no1 ZINC000926822195 638815255 /nfs/dbraw/zinc/81/52/55/638815255.db2.gz MEENJSLWUKTKMD-LLVKDONJSA-N 0 3 252.358 3.326 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1nccc2c1CCCC2 ZINC000926884480 638821082 /nfs/dbraw/zinc/82/10/82/638821082.db2.gz UFLRRTMGCOQCCN-ZDUSSCGKSA-N 0 3 271.408 3.378 20 30 CGEDHN Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1C#N ZINC000926959895 638829335 /nfs/dbraw/zinc/82/93/35/638829335.db2.gz CREXSOFRDJDDSQ-INIZCTEOSA-N 0 3 278.355 3.349 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000929265052 638913788 /nfs/dbraw/zinc/91/37/88/638913788.db2.gz VLGHVMQMGMSWLN-ZBFHGGJFSA-N 0 3 274.408 3.008 20 30 CGEDHN N#Cc1cncc(CN(CCc2ccc(F)cc2)C2CC2)c1 ZINC000929664116 638938432 /nfs/dbraw/zinc/93/84/32/638938432.db2.gz TUNYKHAREBLYIL-UHFFFAOYSA-N 0 3 295.361 3.299 20 30 CGEDHN CCC[C@]1(C)CCCN(Cc2cncc(C#N)c2)C1 ZINC000929760474 638948315 /nfs/dbraw/zinc/94/83/15/638948315.db2.gz SVJHBUMKMHCWOF-MRXNPFEDSA-N 0 3 257.381 3.355 20 30 CGEDHN C[N@@H+](Cc1ccccc1[O-])CC1CCC(C#N)CC1 ZINC000929975334 638965425 /nfs/dbraw/zinc/96/54/25/638965425.db2.gz FPOISBRMASEIIF-UHFFFAOYSA-N 0 3 258.365 3.154 20 30 CGEDHN C[N@H+](Cc1ccccc1[O-])CC1CCC(C#N)CC1 ZINC000929975334 638965426 /nfs/dbraw/zinc/96/54/26/638965426.db2.gz FPOISBRMASEIIF-UHFFFAOYSA-N 0 3 258.365 3.154 20 30 CGEDHN CN(CCc1nccs1)Cc1cc(Cl)cc(C#N)c1 ZINC000930085426 638973045 /nfs/dbraw/zinc/97/30/45/638973045.db2.gz CYBLKGFWZLIZBM-UHFFFAOYSA-N 0 3 291.807 3.343 20 30 CGEDHN C[C@]1(CCCO)CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930160163 638978482 /nfs/dbraw/zinc/97/84/82/638978482.db2.gz KWXYKGBOMHSQTO-MRXNPFEDSA-N 0 3 292.810 3.339 20 30 CGEDHN COC/C(C)=C/CN1CCC(Nc2ccccc2C#N)CC1 ZINC000931031933 639100541 /nfs/dbraw/zinc/10/05/41/639100541.db2.gz FYYOGCZFDGQGMV-VIZOYTHASA-N 0 3 299.418 3.027 20 30 CGEDHN C[C@@]1(c2ccccc2)CCCN1Cc1cncc(C#N)c1 ZINC000931695827 639190031 /nfs/dbraw/zinc/19/00/31/639190031.db2.gz VAOLRVNFPJASJS-SFHVURJKSA-N 0 3 277.371 3.464 20 30 CGEDHN Cc1ccc(CN2CC[C@H](Cc3nccs3)C2)cc1C#N ZINC000934332264 639586604 /nfs/dbraw/zinc/58/66/04/639586604.db2.gz QMCZMRNHPKEXTN-OAHLLOKOSA-N 0 3 297.427 3.388 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000934649757 639649840 /nfs/dbraw/zinc/64/98/40/639649840.db2.gz YUFCCZRSCNUSJI-AWEZNQCLSA-N 0 3 292.427 3.079 20 30 CGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(C#N)cc1 ZINC000192940997 640419991 /nfs/dbraw/zinc/41/99/91/640419991.db2.gz PVRDESDQMLFUTB-CQSZACIVSA-N 0 3 291.354 3.311 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(OCC#N)cc1 ZINC000193871926 640499391 /nfs/dbraw/zinc/49/93/91/640499391.db2.gz OLWFQARCQNHNGT-CQSZACIVSA-N 0 3 291.354 3.311 20 30 CGEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CC[C@H](C)F)C2)CC1 ZINC001008423240 640950696 /nfs/dbraw/zinc/95/06/96/640950696.db2.gz QJTWFOBPGKARAB-GOEBONIOSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C1CCC(C(=O)N[C@H]2CCCN(CC[C@@H](C)F)C2)CC1 ZINC001008423242 640950757 /nfs/dbraw/zinc/95/07/57/640950757.db2.gz QJTWFOBPGKARAB-ZBFHGGJFSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001017316942 641011233 /nfs/dbraw/zinc/01/12/33/641011233.db2.gz RCILZUHXSZHWQP-HDICACEKSA-N 0 3 298.430 3.250 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001017312386 641011514 /nfs/dbraw/zinc/01/15/14/641011514.db2.gz NYYRKYZMFMKDOD-CALCHBBNSA-N 0 3 298.430 3.250 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001155864735 805616802 /nfs/dbraw/zinc/61/68/02/805616802.db2.gz RPFLCCFVHDGRGS-MRXNPFEDSA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)CCCCC ZINC001157041167 805768174 /nfs/dbraw/zinc/76/81/74/805768174.db2.gz GQEPEIWCXUZQHR-IAGOWNOFSA-N 0 3 294.483 3.443 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCCCC1(C)C ZINC001157347961 805797199 /nfs/dbraw/zinc/79/71/99/805797199.db2.gz YNAFHYJTXJDDRN-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C#C[C@@](C)(CC)NC(C)(C)c1ccnc(Cl)c1 ZINC001158746496 805995117 /nfs/dbraw/zinc/99/51/17/805995117.db2.gz WZMZEQRYPIOLHG-AWEZNQCLSA-N 0 3 250.773 3.362 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1ccc(OC)cn1 ZINC001252138535 806023478 /nfs/dbraw/zinc/02/34/78/806023478.db2.gz AUFFTIJSMICCIO-INIZCTEOSA-N 0 3 294.439 3.291 20 30 CGEDHN C=C[C@@](C)(O)CN1CCC[C@@H]1c1cc(F)ccc1F ZINC001252555678 806064453 /nfs/dbraw/zinc/06/44/53/806064453.db2.gz ZXOZXGMTDFDBTF-HUUCEWRRSA-N 0 3 267.319 3.039 20 30 CGEDHN C=C[C@](C)(O)CN[C@H](C)c1cccc(Cl)c1F ZINC001252569566 806071809 /nfs/dbraw/zinc/07/18/09/806071809.db2.gz UCGWSOANZYKVPJ-RNCFNFMXSA-N 0 3 257.736 3.067 20 30 CGEDHN C=CCC[C@@H](O)CNCc1ccc(F)c(Cl)c1F ZINC001252615933 806090480 /nfs/dbraw/zinc/09/04/80/806090480.db2.gz IPVLJPKZFWWBQT-SNVBAGLBSA-N 0 3 275.726 3.035 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCc1ccnn1C ZINC001252980408 806144887 /nfs/dbraw/zinc/14/48/87/806144887.db2.gz NGAXFPKYKWNYKP-QGZVFWFLSA-N 0 3 295.471 3.401 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCC(=O)CC ZINC001252985310 806147092 /nfs/dbraw/zinc/14/70/92/806147092.db2.gz DNAOGVIMXFLAQZ-INIZCTEOSA-N 0 3 271.445 3.447 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1C[C@H](F)C[C@H]1C ZINC001253234164 806189169 /nfs/dbraw/zinc/18/91/69/806189169.db2.gz VRPDAAZVMCYINT-RBSFLKMASA-N 0 3 257.393 3.306 20 30 CGEDHN C=C[C@H](O)CN1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001253578401 806263306 /nfs/dbraw/zinc/26/33/06/806263306.db2.gz ANEFNECCWPTYOK-NEPJUHHUSA-N 0 3 286.202 3.330 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1ccc(-c2ccc(C)o2)nn1 ZINC001160957753 806328572 /nfs/dbraw/zinc/32/85/72/806328572.db2.gz RNDAEPSCDGSORU-AWEZNQCLSA-N 0 3 298.390 3.107 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H](CC)CCC)CC1 ZINC001161579254 806394620 /nfs/dbraw/zinc/39/46/20/806394620.db2.gz PKYZECVTNLSIRJ-MRXNPFEDSA-N 0 3 278.440 3.137 20 30 CGEDHN N#C[C@H]1CCCN(C2CCc3ccccc3CC2)C1 ZINC001254461516 806409823 /nfs/dbraw/zinc/40/98/23/806409823.db2.gz IFDLLDYLKRUWFC-CQSZACIVSA-N 0 3 254.377 3.170 20 30 CGEDHN COc1ccccc1C1(N[C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC001254648595 806472758 /nfs/dbraw/zinc/47/27/58/806472758.db2.gz IZBBCSFOPCWSPL-ZIAGYGMSSA-N 0 3 270.376 3.356 20 30 CGEDHN COc1c(F)cccc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC001254654613 806475207 /nfs/dbraw/zinc/47/52/07/806475207.db2.gz WJODINXPQBOREX-SRVKXCTJSA-N 0 3 262.328 3.177 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](Sc3ccncc3)C2)C1 ZINC001254669910 806479823 /nfs/dbraw/zinc/47/98/23/806479823.db2.gz WUVPRNHTBBGAHK-IIAWOOMASA-N 0 3 287.432 3.330 20 30 CGEDHN CC[C@@H](CC#N)NC(C)(C)Cc1cccc(OC)c1 ZINC001255162021 806559346 /nfs/dbraw/zinc/55/93/46/806559346.db2.gz FGEGKKVQAZBTAS-AWEZNQCLSA-N 0 3 260.381 3.298 20 30 CGEDHN CCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000037505881 798868758 /nfs/dbraw/zinc/86/87/58/798868758.db2.gz SRJBZXHLBXSQIC-UHFFFAOYSA-N 0 3 250.345 3.410 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1C=CCC1 ZINC000122211659 798990654 /nfs/dbraw/zinc/99/06/54/798990654.db2.gz QAQBPCSNMQKBTI-STQMWFEESA-N 0 3 279.343 3.106 20 30 CGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 ZINC000131465794 799028798 /nfs/dbraw/zinc/02/87/98/799028798.db2.gz WRLFVJWGYUCJHC-IAQYHMDHSA-N 0 3 284.359 3.257 20 30 CGEDHN SCc1ccc(N[C@@H]2CNCc3ccsc32)cc1 ZINC001163230336 806729705 /nfs/dbraw/zinc/72/97/05/806729705.db2.gz OKKYIOUTRYDNGX-CYBMUJFWSA-N 0 3 276.430 3.434 20 30 CGEDHN N#CCc1c(F)cccc1N[C@H]1CNCc2ccsc21 ZINC001163239970 806731934 /nfs/dbraw/zinc/73/19/34/806731934.db2.gz TWTOTXJDBFTIRE-AWEZNQCLSA-N 0 3 287.363 3.210 20 30 CGEDHN C=CCCC(C)(C)NCc1nc(Br)c[nH]1 ZINC000717907830 800208032 /nfs/dbraw/zinc/20/80/32/800208032.db2.gz DBRHTPCVHVULBT-UHFFFAOYSA-N 0 3 272.190 3.007 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2nccc3c2CCCC3)C1 ZINC000903181083 800594923 /nfs/dbraw/zinc/59/49/23/800594923.db2.gz DQTDMVXJIZJZPT-ZFWWWQNUSA-N 0 3 269.392 3.132 20 30 CGEDHN COC(C)(C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC000932370265 800659153 /nfs/dbraw/zinc/65/91/53/800659153.db2.gz JUZSELVBYTXFFA-GFCCVEGCSA-N 0 3 265.784 3.095 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024305871 800723097 /nfs/dbraw/zinc/72/30/97/800723097.db2.gz ZMEQCTHABSPJQB-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027903503 800826316 /nfs/dbraw/zinc/82/63/16/800826316.db2.gz IKJBJOPJKRASNN-DLBZAZTESA-N 0 3 290.451 3.280 20 30 CGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028242070 800834815 /nfs/dbraw/zinc/83/48/15/800834815.db2.gz ARSVNVMLIHDFGV-GOSISDBHSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276086 800837720 /nfs/dbraw/zinc/83/77/20/800837720.db2.gz GVBRXEBRKCUUSS-OAHLLOKOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001029453782 800868639 /nfs/dbraw/zinc/86/86/39/800868639.db2.gz KRQANSOEFIPPLK-MPTYRVRUSA-N 0 3 296.430 3.012 20 30 CGEDHN C=Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(=C)C)cc1 ZINC001032642973 800932513 /nfs/dbraw/zinc/93/25/13/800932513.db2.gz LWSWGMRPHXWEBY-ROUUACIJSA-N 0 3 296.414 3.195 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034153159 801007930 /nfs/dbraw/zinc/00/79/30/801007930.db2.gz BXMDJGUSZJGYJA-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034225133 801013114 /nfs/dbraw/zinc/01/31/14/801013114.db2.gz FGUSBTPBXAJIBD-AEFFLSMTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001034334284 801018733 /nfs/dbraw/zinc/01/87/33/801018733.db2.gz MIOJKMHMWPTMEX-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034384806 801022816 /nfs/dbraw/zinc/02/28/16/801022816.db2.gz IJYJBKYZSHIHDW-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001034543231 801031161 /nfs/dbraw/zinc/03/11/61/801031161.db2.gz FRRZFTPZMZSPMC-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC001035842212 801062846 /nfs/dbraw/zinc/06/28/46/801062846.db2.gz DXAHIVQLSOGSOT-UHFFFAOYSA-N 0 3 298.430 3.109 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001038981034 801140925 /nfs/dbraw/zinc/14/09/25/801140925.db2.gz CUAZTRYVEYHKEV-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039053706 801142440 /nfs/dbraw/zinc/14/24/40/801142440.db2.gz LMHCTOOIHXEKDJ-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039044316 801142799 /nfs/dbraw/zinc/14/27/99/801142799.db2.gz YILATOHEKKQBHP-UPTPFMHGSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCCC1 ZINC001039328059 801157852 /nfs/dbraw/zinc/15/78/52/801157852.db2.gz AGCLJNYGMQQKLU-SJORKVTESA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@H]21 ZINC001042181260 801201762 /nfs/dbraw/zinc/20/17/62/801201762.db2.gz FNAYGNDMEGLEOK-LSDHHAIUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001046320541 801307560 /nfs/dbraw/zinc/30/75/60/801307560.db2.gz JMCOLKOYWZZZBS-DOTOQJQBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001046858899 801331087 /nfs/dbraw/zinc/33/10/87/801331087.db2.gz FUYBCSUVFAADCE-LJQANCHMSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001049701046 801386494 /nfs/dbraw/zinc/38/64/94/801386494.db2.gz YSPXBVLTXQSYJN-OWCLPIDISA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)C3CCCC3)cc2C1 ZINC001054253003 801480533 /nfs/dbraw/zinc/48/05/33/801480533.db2.gz KSASHXWWNJBYEC-UHFFFAOYSA-N 0 3 298.430 3.385 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2C)CC[C@@H]1C ZINC001071319760 801527513 /nfs/dbraw/zinc/52/75/13/801527513.db2.gz UQFANJBKUFHOCW-HOTGVXAUSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071419849 801534806 /nfs/dbraw/zinc/53/48/06/801534806.db2.gz FQFJJBQDUKOITP-WMLDXEAASA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C2CCC2)CC[C@@H]1C ZINC001071708144 801545347 /nfs/dbraw/zinc/54/53/47/801545347.db2.gz AQIWAUNXXJXAMT-GOEBONIOSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C3(C)CCCCCC3)C2)C1 ZINC001072820342 801573541 /nfs/dbraw/zinc/57/35/41/801573541.db2.gz NNVKOGBYQBMMBL-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001080779415 801655443 /nfs/dbraw/zinc/65/54/43/801655443.db2.gz MHVZJCFYMYGGIW-RDTXWAMCSA-N 0 3 298.430 3.190 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001081014010 801657993 /nfs/dbraw/zinc/65/79/93/801657993.db2.gz NXLAHQCOIHXOOJ-OWCLPIDISA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C1CCC1 ZINC001085240867 801679372 /nfs/dbraw/zinc/67/93/72/801679372.db2.gz XVLQRKCFRDOLEY-BPLDGKMQSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085604900 801696749 /nfs/dbraw/zinc/69/67/49/801696749.db2.gz UUTDAIWZHLRIBX-ARFHVFGLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085675751 801699439 /nfs/dbraw/zinc/69/94/39/801699439.db2.gz ZFUVJLCHIKISII-UPTPFMHGSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085670498 801699537 /nfs/dbraw/zinc/69/95/37/801699537.db2.gz XGBYVCKIFWYGIL-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085955213 801714489 /nfs/dbraw/zinc/71/44/89/801714489.db2.gz URHQDYSNDMPADT-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983861 801715886 /nfs/dbraw/zinc/71/58/86/801715886.db2.gz QJZCWTPYTIPEJG-PQUAAJSLSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001086779282 801734804 /nfs/dbraw/zinc/73/48/04/801734804.db2.gz GPFVSVSLSVSJIG-MJBXVCDLSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1CC ZINC001087843310 801770987 /nfs/dbraw/zinc/77/09/87/801770987.db2.gz PYFXSXOMRGTQJV-HRCADAONSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC(C)C)C1 ZINC001088252319 801776884 /nfs/dbraw/zinc/77/68/84/801776884.db2.gz NPQZPIYZKBORQD-AWEZNQCLSA-N 0 3 286.847 3.146 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C=C2CCC2)C1 ZINC001088294046 801781672 /nfs/dbraw/zinc/78/16/72/801781672.db2.gz NLNPIEXFHKFZEI-OAHLLOKOSA-N 0 3 296.842 3.210 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054291 801818280 /nfs/dbraw/zinc/81/82/80/801818280.db2.gz JQOFGVOPWLMFEH-SOLBZPMBSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CC=CCC1)C2 ZINC001095461180 801883135 /nfs/dbraw/zinc/88/31/35/801883135.db2.gz BBJJGXDLTKLVEG-CVYDXHPNSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCCC1)C2 ZINC001097318262 801900443 /nfs/dbraw/zinc/90/04/43/801900443.db2.gz NNCURWJZCWZSRP-HZMVEIRTSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C(F)=C(C)C ZINC001099013345 801925865 /nfs/dbraw/zinc/92/58/65/801925865.db2.gz VZNIQZJJLVORNA-AWEZNQCLSA-N 0 3 296.430 3.433 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001099360555 801936339 /nfs/dbraw/zinc/93/63/39/801936339.db2.gz YPNPXSUJHOXSNM-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001099360559 801936875 /nfs/dbraw/zinc/93/68/75/801936875.db2.gz YPNPXSUJHOXSNM-ZBFHGGJFSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110888469 802148886 /nfs/dbraw/zinc/14/88/86/802148886.db2.gz FYJJRLSXRFNGCC-OAGGEKHMSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)=C(C)C)C2 ZINC001110906831 802148972 /nfs/dbraw/zinc/14/89/72/802148972.db2.gz MCFGSAFMJRBDIO-OAGGEKHMSA-N 0 3 276.424 3.030 20 30 CGEDHN C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(C[C@@H](F)CC)C2 ZINC001111765041 802169005 /nfs/dbraw/zinc/16/90/05/802169005.db2.gz RJGUIZRMGYSGFT-ZOBUZTSGSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001112601521 802180541 /nfs/dbraw/zinc/18/05/41/802180541.db2.gz YKXKCJLIKKRWTA-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2=CCCCC2)CC1 ZINC001112696151 802186253 /nfs/dbraw/zinc/18/62/53/802186253.db2.gz OZBMMNVREJWFMZ-INIZCTEOSA-N 0 3 290.451 3.376 20 30 CGEDHN C#CCCCCC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001112773916 802189438 /nfs/dbraw/zinc/18/94/38/802189438.db2.gz BBSYCZVHAHEBCD-QGZVFWFLSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001113245835 802208038 /nfs/dbraw/zinc/20/80/38/802208038.db2.gz AABIEPSSNXQPGP-HOTGVXAUSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCCC1(C(=O)N2CCN(CC(CC)CC)CC2)CC1 ZINC001113312951 802214931 /nfs/dbraw/zinc/21/49/31/802214931.db2.gz ZXQYQXDQPIYJTQ-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C#C[C@@H]1CCCN(c2c(C)cnc3ccccc32)C1 ZINC001118337254 802551352 /nfs/dbraw/zinc/55/13/52/802551352.db2.gz ZPUJUMHTKFWFSM-CQSZACIVSA-N 0 3 250.345 3.393 20 30 CGEDHN O/N=C/c1cccc(NCC2CN(Cc3ccccc3)C2)c1 ZINC001165454508 807004055 /nfs/dbraw/zinc/00/40/55/807004055.db2.gz OJSUFPDDIGGBCY-RGVLZGJSSA-N 0 3 295.386 3.039 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(CCC)cc1 ZINC001165490910 807005429 /nfs/dbraw/zinc/00/54/29/807005429.db2.gz QPCOZLGJRDRHRK-UHFFFAOYSA-N 0 3 294.826 3.101 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CC=CCC2)c1 ZINC001122449207 802870598 /nfs/dbraw/zinc/87/05/98/802870598.db2.gz RPAZTRYGDKZGHO-HOCLYGCPSA-N 0 3 296.370 3.389 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCC=CCCC1 ZINC001123336505 802930025 /nfs/dbraw/zinc/93/00/25/802930025.db2.gz IBQZGFNSGORLMT-NEPJUHHUSA-N 0 3 291.782 3.386 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001123337744 802930242 /nfs/dbraw/zinc/93/02/42/802930242.db2.gz TXCFPQFVYCHFDF-KGLIPLIRSA-N 0 3 271.364 3.216 20 30 CGEDHN C=C1CCC(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123381967 802939111 /nfs/dbraw/zinc/93/91/11/802939111.db2.gz NZJWURZCELIFES-GFCCVEGCSA-N 0 3 276.286 3.282 20 30 CGEDHN C=CC(C)(C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001123478045 802948612 /nfs/dbraw/zinc/94/86/12/802948612.db2.gz YKZNRGYRLVXJLM-SNVBAGLBSA-N 0 3 264.275 3.138 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCC2CCCC2)CC[C@@H]1C ZINC001131764706 803343320 /nfs/dbraw/zinc/34/33/20/803343320.db2.gz MFXVQSLCHVYEKC-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C#CCCCCC(=O)N[C@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001131976440 803364761 /nfs/dbraw/zinc/36/47/61/803364761.db2.gz KMLJIBOJAIIKKT-SJORKVTESA-N 0 3 290.451 3.115 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001132227271 803381868 /nfs/dbraw/zinc/38/18/68/803381868.db2.gz BFVCFUXMNSTJOQ-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN C=CC1(CC(=O)NC[C@@H]2CCCCN2C)CCCCC1 ZINC001134767709 803555989 /nfs/dbraw/zinc/55/59/89/803555989.db2.gz DEMLSAMQQHHLAE-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(Cl)c(F)c3)CCC2S1 ZINC001137650829 803749845 /nfs/dbraw/zinc/74/98/45/803749845.db2.gz PECYKSYMXSVVJO-ZDUSSCGKSA-N 0 3 297.782 3.253 20 30 CGEDHN COc1ccc(CN2CCCC[C@@H](C)C2)c(C#N)c1 ZINC001137698496 803758927 /nfs/dbraw/zinc/75/89/27/803758927.db2.gz ZKPKJNQTUBUMAZ-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@](C)(CF)C2)c1[O-] ZINC001138625243 803981920 /nfs/dbraw/zinc/98/19/20/803981920.db2.gz IKHTUXRWYHWLHV-MRXNPFEDSA-N 0 3 263.356 3.302 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@](C)(CF)C2)c1[O-] ZINC001138625243 803981911 /nfs/dbraw/zinc/98/19/11/803981911.db2.gz IKHTUXRWYHWLHV-MRXNPFEDSA-N 0 3 263.356 3.302 20 30 CGEDHN C=CCc1cccc(CN2CC3(C2)CC(F)(F)C3)c1O ZINC001138625937 803982293 /nfs/dbraw/zinc/98/22/93/803982293.db2.gz XUECWRSQPCVUKK-UHFFFAOYSA-N 0 3 279.330 3.352 20 30 CGEDHN C=CCc1cccc(C[NH+]2CC3(C2)CC(F)(F)C3)c1[O-] ZINC001138625937 803982300 /nfs/dbraw/zinc/98/23/00/803982300.db2.gz XUECWRSQPCVUKK-UHFFFAOYSA-N 0 3 279.330 3.352 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)CCc2ccccn2)c1[O-] ZINC001138623507 803982817 /nfs/dbraw/zinc/98/28/17/803982817.db2.gz HKKYCRMXAKEVCS-UHFFFAOYSA-N 0 3 282.387 3.190 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)CCc2ccccn2)c1[O-] ZINC001138623507 803982821 /nfs/dbraw/zinc/98/28/21/803982821.db2.gz HKKYCRMXAKEVCS-UHFFFAOYSA-N 0 3 282.387 3.190 20 30 CGEDHN C=CCn1cc(CN(C)CCCc2cccc(OC)c2)cn1 ZINC001139770987 804277207 /nfs/dbraw/zinc/27/72/07/804277207.db2.gz JUDJSBILHUZSRL-UHFFFAOYSA-N 0 3 299.418 3.142 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H]4CCCO[C@H]4C3)c2c1 ZINC001140110784 804379090 /nfs/dbraw/zinc/37/90/90/804379090.db2.gz STYJUIKFMAOLDM-KSSFIOAISA-N 0 3 295.386 3.040 20 30 CGEDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)nc1 ZINC001140546716 804458649 /nfs/dbraw/zinc/45/86/49/804458649.db2.gz QZSGHTAFXOCNIF-UHFFFAOYSA-N 0 3 294.402 3.041 20 30 CGEDHN CCCN(CCC)Cc1sc(N)c(C#N)c1Cl ZINC001141108810 804592479 /nfs/dbraw/zinc/59/24/79/804592479.db2.gz HQDCXWLELUHAQH-UHFFFAOYSA-N 0 3 271.817 3.477 20 30 CGEDHN CCCN(Cc1ccc(F)cc1C#N)C1CCOCC1 ZINC001141167153 804603737 /nfs/dbraw/zinc/60/37/37/804603737.db2.gz CDXRFGBUTUDZLM-UHFFFAOYSA-N 0 3 276.355 3.088 20 30 CGEDHN C=CCN(CC=C)Cc1cccc(-n2ccnc2)c1 ZINC001141242912 804622488 /nfs/dbraw/zinc/62/24/88/804622488.db2.gz OAGKJYUEYAGNMS-UHFFFAOYSA-N 0 3 253.349 3.046 20 30 CGEDHN N#Cc1ccc2c(CN3CC[C@@H](C(F)(F)F)C3)c[nH]c2c1 ZINC001142921925 804784896 /nfs/dbraw/zinc/78/48/96/804784896.db2.gz ZGYIYLQPLGHHHQ-GFCCVEGCSA-N 0 3 293.292 3.424 20 30 CGEDHN CC(C)(C)N1CCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143726347 804888847 /nfs/dbraw/zinc/88/88/47/804888847.db2.gz NARWIRRJRLPKBT-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN CCCO[C@@H]1CCN(Cc2ccc(C#N)cc2CC)C1 ZINC001248751060 804984578 /nfs/dbraw/zinc/98/45/78/804984578.db2.gz HSQNIJXHAYAFBD-QGZVFWFLSA-N 0 3 272.392 3.122 20 30 CGEDHN C#Cc1ccc(CN2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC001144574013 805008005 /nfs/dbraw/zinc/00/80/05/805008005.db2.gz YBSABNXXLHHJJG-FQEVSTJZSA-N 0 3 290.410 3.157 20 30 CGEDHN CC1(C)C=Cc2c(O)c(CN3CCC(C#N)CC3)ccc2O1 ZINC001249224175 805115785 /nfs/dbraw/zinc/11/57/85/805115785.db2.gz SVYBGXBJMMOIBB-UHFFFAOYSA-N 0 3 298.386 3.312 20 30 CGEDHN C#CC[C@]1(c2nc(-c3ccc(F)c(CC)c3)no2)CCCN1 ZINC001249351794 805133047 /nfs/dbraw/zinc/13/30/47/805133047.db2.gz JGMRZIAMNXQEKY-QGZVFWFLSA-N 0 3 299.349 3.040 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C2)C1 ZINC001148436012 805181950 /nfs/dbraw/zinc/18/19/50/805181950.db2.gz CLPBJJHRMWRTAF-HUUCEWRRSA-N 0 3 292.467 3.025 20 30 CGEDHN C[C@@H]1COCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016337 807028579 /nfs/dbraw/zinc/02/85/79/807028579.db2.gz AFCOJEPVMINHLF-RWBZWWBESA-N 0 3 284.403 3.305 20 30 CGEDHN CCCCCC[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001257371880 807130415 /nfs/dbraw/zinc/13/04/15/807130415.db2.gz LMSTYRDMRXSSLT-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN N#Cc1ccc(CCNc2c[nH]cc3ccnc2-3)cc1 ZINC001167679469 807226676 /nfs/dbraw/zinc/22/66/76/807226676.db2.gz SOZKUQOVSSSXNW-UHFFFAOYSA-N 0 3 262.316 3.089 20 30 CGEDHN C=C1C[C@@H]2CC(N3CCC[C@@]4(CCC(=O)O4)C3)C[C@H](C1)C2 ZINC001257895708 807245680 /nfs/dbraw/zinc/24/56/80/807245680.db2.gz YYNUZNDMMKVCAG-IXEWLPCDSA-N 0 3 289.419 3.293 20 30 CGEDHN C=CCC[C@H](C)N1CCc2cnc(C3CC3)nc2C1 ZINC001258735957 807582620 /nfs/dbraw/zinc/58/26/20/807582620.db2.gz GRMAKPKICLGQBN-LBPRGKRZSA-N 0 3 257.381 3.067 20 30 CGEDHN C[C@H](N)c1ccn(-c2ccc(C#C[Si](C)(C)C)cc2)n1 ZINC001169233435 807611545 /nfs/dbraw/zinc/61/15/45/807611545.db2.gz QKJRUJQHAFACLQ-ZDUSSCGKSA-N 0 3 283.451 3.121 20 30 CGEDHN N#CC[C@@H]1CCCN([C@H]2CCc3c2cccc3F)C1 ZINC001261641092 807772251 /nfs/dbraw/zinc/77/22/51/807772251.db2.gz WFGSDELYFOKQMS-LRDDRELGSA-N 0 3 258.340 3.439 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](CC)C(C)(C)C ZINC001170885441 807925977 /nfs/dbraw/zinc/92/59/77/807925977.db2.gz KKDOBZVOISWRMK-ZDUSSCGKSA-N 0 3 288.863 3.297 20 30 CGEDHN N#CC(C(=O)CCc1ccc(F)cc1)c1cccc(F)n1 ZINC001263377871 807949190 /nfs/dbraw/zinc/94/91/90/807949190.db2.gz OBKDVHIOOOZQDY-ZDUSSCGKSA-N 0 3 286.281 3.169 20 30 CGEDHN C=C[C@H](CC)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001263663502 807991133 /nfs/dbraw/zinc/99/11/33/807991133.db2.gz FVMRYOOYFDNMMT-KOLCDFICSA-N 0 3 264.275 3.138 20 30 CGEDHN C=C(CC(C)C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC001263707244 807995660 /nfs/dbraw/zinc/99/56/60/807995660.db2.gz DCXNLGGFGYPBIU-UHFFFAOYSA-N 0 3 290.407 3.298 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1nc2ccccc2o1 ZINC001171176943 808001370 /nfs/dbraw/zinc/00/13/70/808001370.db2.gz YICJQUWZOXOBSE-CYBMUJFWSA-N 0 3 291.354 3.420 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCC(=C)C)CCC1 ZINC001264371731 808063434 /nfs/dbraw/zinc/06/34/34/808063434.db2.gz ZQPLRTARQOUUGN-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN N#CC[C@H]1CCCN([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171493039 808075600 /nfs/dbraw/zinc/07/56/00/808075600.db2.gz LIJRLEAFIJJBOC-DOMZBBRYSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C/C=C(\C)C=C)CC1 ZINC001265339958 808132766 /nfs/dbraw/zinc/13/27/66/808132766.db2.gz DCSFRTYZBMUGQE-LZYBPNLTSA-N 0 3 290.451 3.398 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC2(C1)CC(F)(F)C2 ZINC001172309209 808222936 /nfs/dbraw/zinc/22/29/36/808222936.db2.gz SCBATXVIYBEENO-GFCCVEGCSA-N 0 3 276.330 3.220 20 30 CGEDHN Cc1nc2c(s1)CN([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172319364 808229409 /nfs/dbraw/zinc/22/94/09/808229409.db2.gz NJUUULSEURWKMX-GFCCVEGCSA-N 0 3 297.427 3.313 20 30 CGEDHN C=CCCCN1CC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001266327526 808243090 /nfs/dbraw/zinc/24/30/90/808243090.db2.gz GWIMVMNFEBPWPL-CYBMUJFWSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001266343882 808245306 /nfs/dbraw/zinc/24/53/06/808245306.db2.gz AMIFIZJDJZTCFF-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCC[C@H](CC)N1CCO[C@H](COC)C1 ZINC001172362277 808257153 /nfs/dbraw/zinc/25/71/53/808257153.db2.gz TWRIUZLOUUSAMC-HOTGVXAUSA-N 0 3 271.445 3.473 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(CCC)CCC ZINC001266476729 808272363 /nfs/dbraw/zinc/27/23/63/808272363.db2.gz BODDBIYDCNWQDT-MRXNPFEDSA-N 0 3 280.456 3.360 20 30 CGEDHN C#CCNCCN(C)C(=O)[C@@H](CCC)CC1CCCCC1 ZINC001266852630 808324452 /nfs/dbraw/zinc/32/44/52/808324452.db2.gz UGWCHNGGCVQHTF-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCCC[C@@H]2CNC[C@@H](F)CC)C1 ZINC001266877062 808327894 /nfs/dbraw/zinc/32/78/94/808327894.db2.gz BIGRRDVODPKOQM-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C[C@@H](CCCC#N)N[C@H](CO)c1ccccc1Cl ZINC001172487757 808348113 /nfs/dbraw/zinc/34/81/13/808348113.db2.gz NCTZADIKSPXLFN-SMDDNHRTSA-N 0 3 266.772 3.045 20 30 CGEDHN CCCCCCC[C@H](CCC)n1[nH]c(=O)nc1CN ZINC001172503679 808359502 /nfs/dbraw/zinc/35/95/02/808359502.db2.gz ZPKATNFZHOAVKF-LBPRGKRZSA-N 0 3 268.405 3.144 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C\CC ZINC001267417772 808424472 /nfs/dbraw/zinc/42/44/72/808424472.db2.gz MLTUXCXINKERRG-CMKSSICZSA-N 0 3 290.451 3.230 20 30 CGEDHN CC(C)OC(=O)CC[C@@H](C)N(CCC#N)C1CCCC1 ZINC001172758509 808432891 /nfs/dbraw/zinc/43/28/91/808432891.db2.gz APFJIRKTBAJGGE-CQSZACIVSA-N 0 3 280.412 3.265 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)CCC)c1ccccc1 ZINC001267516507 808438640 /nfs/dbraw/zinc/43/86/40/808438640.db2.gz DVRUUIHFSCHYJP-NVXWUHKLSA-N 0 3 288.435 3.446 20 30 CGEDHN CCCN(CCC#N)[C@H]1CCc2ccc(C)cc2C1 ZINC001172832822 808451500 /nfs/dbraw/zinc/45/15/00/808451500.db2.gz YPALNZWHKFAGCS-KRWDZBQOSA-N 0 3 256.393 3.478 20 30 CGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](CC)c1ccccc1 ZINC001267704272 808474970 /nfs/dbraw/zinc/47/49/70/808474970.db2.gz LCVPNYKQTGDQHK-BZSNNMDCSA-N 0 3 298.430 3.389 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001267705723 808475104 /nfs/dbraw/zinc/47/51/04/808475104.db2.gz KSJLLLZBGUACLR-GJZGRUSLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCCF)C1CCCCC1 ZINC001268118488 808545346 /nfs/dbraw/zinc/54/53/46/808545346.db2.gz CNBPSHLGIGPJEG-HNNXBMFYSA-N 0 3 298.446 3.213 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001268148649 808549715 /nfs/dbraw/zinc/54/97/15/808549715.db2.gz IYBIPXWWUDVIIW-UONOGXRCSA-N 0 3 298.858 3.146 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001268238668 808566048 /nfs/dbraw/zinc/56/60/48/808566048.db2.gz JHYAVMPEICMNCK-JCYILVPMSA-N 0 3 294.483 3.415 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001268646081 808604184 /nfs/dbraw/zinc/60/41/84/808604184.db2.gz AGHVVRCHXXDVEL-CQSZACIVSA-N 0 3 292.398 3.085 20 30 CGEDHN C=CCOC1CCC(N[C@H](C)c2cscn2)CC1 ZINC001173312972 808607264 /nfs/dbraw/zinc/60/72/64/808607264.db2.gz OQGAMGIKYYFNMX-PNESKVBLSA-N 0 3 266.410 3.308 20 30 CGEDHN N#CCC1CCC(n2nc(-c3ccncc3)cc2CN)CC1 ZINC001173329004 808614167 /nfs/dbraw/zinc/61/41/67/808614167.db2.gz XPSIYQNDYCVDHQ-UHFFFAOYSA-N 0 3 295.390 3.049 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C)c(Cl)c1F ZINC001268741437 808619469 /nfs/dbraw/zinc/61/94/69/808619469.db2.gz ZPUWTNVXNBNTCD-LLVKDONJSA-N 0 3 298.789 3.024 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(-c2ccccc2)o1 ZINC001268747258 808622093 /nfs/dbraw/zinc/62/20/93/808622093.db2.gz WMQSCFMWAGZUIC-AWEZNQCLSA-N 0 3 298.386 3.183 20 30 CGEDHN Cc1cnc2c(c1)CN(C1CCC(C)(C#N)CC1)CC2 ZINC001173600662 808651279 /nfs/dbraw/zinc/65/12/79/808651279.db2.gz IEQPTQIVLDLAQI-UHFFFAOYSA-N 0 3 269.392 3.221 20 30 CGEDHN CCCCN(CCC#N)C1CCN(CC(F)(F)F)CC1 ZINC001173668854 808662866 /nfs/dbraw/zinc/66/28/66/808662866.db2.gz FXZOFGXNYQUIPE-UHFFFAOYSA-N 0 3 291.361 3.029 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCC1(NCC(=C)Cl)CCCC1 ZINC001270786330 808746605 /nfs/dbraw/zinc/74/66/05/808746605.db2.gz WZIOPOQCNCPTAC-CQSZACIVSA-N 0 3 298.858 3.360 20 30 CGEDHN CN(C)Cc1ccccc1Nc1cc(Cl)cnc1C#N ZINC001173928430 808766770 /nfs/dbraw/zinc/76/67/70/808766770.db2.gz ABIAOZFKOOQFKL-UHFFFAOYSA-N 0 3 286.766 3.412 20 30 CGEDHN COc1cc(C#N)cc(Nc2ccccc2CN(C)C)c1 ZINC001173930387 808769603 /nfs/dbraw/zinc/76/96/03/808769603.db2.gz FKEPLWBTGISBJU-UHFFFAOYSA-N 0 3 281.359 3.372 20 30 CGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2cccc(C)c2)C1=O ZINC001272906725 808826529 /nfs/dbraw/zinc/82/65/29/808826529.db2.gz FAMLROJIBLMDPH-IBGZPJMESA-N 0 3 298.430 3.138 20 30 CGEDHN CCCCCCCCCCN1C[C@@H]2COC[C@H](C1)N2C ZINC001275133302 808914408 /nfs/dbraw/zinc/91/44/08/808914408.db2.gz OZUPHUHHABWWGN-CALCHBBNSA-N 0 3 282.472 3.142 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCN2CC(C)C)CCCCC1 ZINC001276979879 809052292 /nfs/dbraw/zinc/05/22/92/809052292.db2.gz RNKVEDWWWOVDRP-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN CCCCCCCCCCN1CC[C@@H]2C[C@@]21C(N)=O ZINC001277234445 809065320 /nfs/dbraw/zinc/06/53/20/809065320.db2.gz ZXEDHFNPRCQKFH-ZBFHGGJFSA-N 0 3 266.429 3.077 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)CC2(C)CCCCC2)C1 ZINC001278410369 809131460 /nfs/dbraw/zinc/13/14/60/809131460.db2.gz LVKZONSHHIKGBR-QGZVFWFLSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCCN(CC=C(C)C)[C@@H]1C ZINC001278521256 809140099 /nfs/dbraw/zinc/14/00/99/809140099.db2.gz MQJWOBPUZQOFCR-HZPDHXFCSA-N 0 3 278.440 3.278 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](CC)CCCCC)CC1 ZINC001280776818 809198721 /nfs/dbraw/zinc/19/87/21/809198721.db2.gz LZKVLQTZFCLENP-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)CC[C@H](C)CC)C1 ZINC001282066317 809228832 /nfs/dbraw/zinc/22/88/32/809228832.db2.gz LZFRAPMCIYERDD-LMWSTFAQSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CC=C(C)C)[C@@H]1C ZINC001284128890 809298102 /nfs/dbraw/zinc/29/81/02/809298102.db2.gz DXQPKYYTMWSDSX-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1cccs1)C(C)C ZINC001284544674 809308227 /nfs/dbraw/zinc/30/82/27/809308227.db2.gz OHKOXHVXMYFBFK-CQSZACIVSA-N 0 3 294.464 3.206 20 30 CGEDHN C=CCN(C)CCN(C(=O)C=C(CC)CC)C(C)C ZINC001284530894 809308611 /nfs/dbraw/zinc/30/86/11/809308611.db2.gz UMTOXSONDSFEDR-UHFFFAOYSA-N 0 3 266.429 3.088 20 30 CGEDHN Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001175418594 809397251 /nfs/dbraw/zinc/39/72/51/809397251.db2.gz LWYDXKPGSXEQNK-ZDUSSCGKSA-N 0 3 266.344 3.423 20 30 CGEDHN N#Cc1cccc(NC2=CCN(Cc3ccccc3)CC2)n1 ZINC001175504485 809432584 /nfs/dbraw/zinc/43/25/84/809432584.db2.gz CZUUBQRILUTKSY-UHFFFAOYSA-N 0 3 290.370 3.155 20 30 CGEDHN C#Cc1ccc(CNCc2cccc(Cl)c2N)cc1 ZINC001178758799 809885937 /nfs/dbraw/zinc/88/59/37/809885937.db2.gz IYNLTIQUAUCHRR-UHFFFAOYSA-N 0 3 270.763 3.193 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001190329986 810619768 /nfs/dbraw/zinc/61/97/68/810619768.db2.gz XHEVSTJMUYTQNP-QGZVFWFLSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190369679 810623498 /nfs/dbraw/zinc/62/34/98/810623498.db2.gz FKHSZDNODUJVSY-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001192161365 810772709 /nfs/dbraw/zinc/77/27/09/810772709.db2.gz IMGFNRWGNZPXBU-RDJZCZTQSA-N 0 3 278.440 3.088 20 30 CGEDHN CCCCCCCOC(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001194004647 810998828 /nfs/dbraw/zinc/99/88/28/810998828.db2.gz ZBFOEWQKBHDDRO-HUUCEWRRSA-N 0 3 282.428 3.119 20 30 CGEDHN C#CCCCC(=O)N1CCCN([C@@H](C)c2ccccc2)CC1 ZINC001195644880 811274896 /nfs/dbraw/zinc/27/48/96/811274896.db2.gz BQYAUOADSFUCCQ-KRWDZBQOSA-N 0 3 298.430 3.085 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC001197032784 811392827 /nfs/dbraw/zinc/39/28/27/811392827.db2.gz SKILVWIQARMDPI-CABCVRRESA-N 0 3 291.847 3.376 20 30 CGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC001197701242 811447691 /nfs/dbraw/zinc/44/76/91/811447691.db2.gz GCMUGNBEOSAARX-CHWSQXEVSA-N 0 3 290.794 3.012 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(CCC)CC2)CCCCC1 ZINC001198221688 811484337 /nfs/dbraw/zinc/48/43/37/811484337.db2.gz NBKYRRIRMICPFE-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C#Cc1cccc(CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC001202811365 812178854 /nfs/dbraw/zinc/17/88/54/812178854.db2.gz FXONWQZSZLDTGE-UHFFFAOYSA-N 0 3 280.327 3.174 20 30 CGEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001203340939 812315057 /nfs/dbraw/zinc/31/50/57/812315057.db2.gz NCEGMSKJHGPKKS-KBPBESRZSA-N 0 3 296.842 3.112 20 30 CGEDHN COc1ccc(SCCN2CCC(C)(C#N)CC2)cc1 ZINC001204968489 812802230 /nfs/dbraw/zinc/80/22/30/812802230.db2.gz DFFBSYMOHZTOQR-UHFFFAOYSA-N 0 3 290.432 3.413 20 30 CGEDHN N#Cc1cc(CN2CC[C@H]3CCC[C@H]3C2)ccc1F ZINC001205459204 812986372 /nfs/dbraw/zinc/98/63/72/812986372.db2.gz HILQBVJVDZNPPP-KGLIPLIRSA-N 0 3 258.340 3.319 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(Cl)c2)no1 ZINC001206094246 813198712 /nfs/dbraw/zinc/19/87/12/813198712.db2.gz CDAZUVZIYRQXRI-UHFFFAOYSA-N 0 3 289.766 3.499 20 30 CGEDHN CCCCCCCCN(C)Cc1cnc(OC)nc1 ZINC001206401029 813313577 /nfs/dbraw/zinc/31/35/77/813313577.db2.gz SNTQSSFGFKUVSW-UHFFFAOYSA-N 0 3 265.401 3.278 20 30 CGEDHN COC(C)(C)CCC[C@H](C)CCN1CC(CC#N)C1 ZINC001208201310 813742948 /nfs/dbraw/zinc/74/29/48/813742948.db2.gz CGCQKKCAZGULCW-AWEZNQCLSA-N 0 3 266.429 3.453 20 30 CGEDHN CN1CC=C(Nc2cc(C(F)(F)F)ccc2C#N)CC1 ZINC001208856591 813869300 /nfs/dbraw/zinc/86/93/00/813869300.db2.gz GYOKNRXJNDSLDQ-UHFFFAOYSA-N 0 3 281.281 3.208 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001209107439 813934104 /nfs/dbraw/zinc/93/41/04/813934104.db2.gz SGMACCFOUMGUKE-BFYDXBDKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCCN1CCN(Cc2ccccc2Cl)CC1 ZINC001209160910 813952066 /nfs/dbraw/zinc/95/20/66/813952066.db2.gz DOFLDVZUSMTHMN-UHFFFAOYSA-N 0 3 278.827 3.424 20 30 CGEDHN C=CCCCN1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001209163280 813953769 /nfs/dbraw/zinc/95/37/69/813953769.db2.gz BJXSASOPKYMKAN-HNNXBMFYSA-N 0 3 258.365 3.056 20 30 CGEDHN C=CCCCN1CCN(c2nc3ccccc3n2CC)CC1 ZINC001209164267 813955092 /nfs/dbraw/zinc/95/50/92/813955092.db2.gz VVJUJOWQTWYOSF-UHFFFAOYSA-N 0 3 298.434 3.144 20 30 CGEDHN C=CCCCCCCN1CCN(c2ccccn2)CC1 ZINC001209431804 814031702 /nfs/dbraw/zinc/03/17/02/814031702.db2.gz TUOKPGLSZCWCCK-UHFFFAOYSA-N 0 3 273.424 3.340 20 30 CGEDHN C=CCCCCCCCCN1CCCC[C@H]1C(N)=O ZINC001209444675 814045489 /nfs/dbraw/zinc/04/54/89/814045489.db2.gz XODYGHXFHAZDFW-HNNXBMFYSA-N 0 3 266.429 3.243 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H](NC[C@H](F)CC)C2)CCC1 ZINC001209503231 814066927 /nfs/dbraw/zinc/06/69/27/814066927.db2.gz HKXWEBBMZREZEH-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN SC1CCN(Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209598355 814097003 /nfs/dbraw/zinc/09/70/03/814097003.db2.gz CVTVDBAYGWSNEF-UHFFFAOYSA-N 0 3 281.812 3.111 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001209656129 814107773 /nfs/dbraw/zinc/10/77/73/814107773.db2.gz ASMXKNXMEWKWEO-ARFHVFGLSA-N 0 3 280.456 3.215 20 30 CGEDHN N#C[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001209762875 814133265 /nfs/dbraw/zinc/13/32/65/814133265.db2.gz FQSSUXBWDIJUIQ-AWEZNQCLSA-N 0 3 280.375 3.202 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001210245082 814362551 /nfs/dbraw/zinc/36/25/51/814362551.db2.gz XYAQEKVRJUNYAW-RBSFLKMASA-N 0 3 280.456 3.071 20 30 CGEDHN C[C@@H]1CC(=O)C=C(c2ccnc3[nH]cc(CN(C)C)c32)C1 ZINC001242745703 823120511 /nfs/dbraw/zinc/12/05/11/823120511.db2.gz WHYVEOLMGHVDIK-NSHDSACASA-N 0 3 283.375 3.007 20 30 CGEDHN C[C@@H]1CC(=O)C=C(c2ccccc2OCCN(C)C)C1 ZINC001242746269 823121221 /nfs/dbraw/zinc/12/12/21/823121221.db2.gz UFMKXYKIBCDSBC-ZDUSSCGKSA-N 0 3 273.376 3.009 20 30 CGEDHN C[C@@H]1CC(=O)C=C(Nc2ccc(CN(C)C)cc2)C1 ZINC001210771562 814617298 /nfs/dbraw/zinc/61/72/98/814617298.db2.gz XBJYQVUVYZDQFW-LBPRGKRZSA-N 0 3 258.365 3.043 20 30 CGEDHN N#Cc1cc(Cl)ccc1O[C@H]1CNCc2ccccc21 ZINC001218485211 816239901 /nfs/dbraw/zinc/23/99/01/816239901.db2.gz DZYRRFIAINOKOM-INIZCTEOSA-N 0 3 284.746 3.435 20 30 CGEDHN Cc1cc(C#N)cc(C)c1-c1cc(CN(C)C)ccn1 ZINC001222648913 816489841 /nfs/dbraw/zinc/48/98/41/816489841.db2.gz QPGLSGQOZBBKFT-UHFFFAOYSA-N 0 3 265.360 3.299 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@](C)(F)CCCC)C[C@@H]21 ZINC001223012462 816552183 /nfs/dbraw/zinc/55/21/83/816552183.db2.gz CZMOIBCHAHTADJ-VYDXJSESSA-N 0 3 296.430 3.014 20 30 CGEDHN C[C@@H](c1ccccn1)N1CCC[C@@H](OCC#CC2CC2)C1 ZINC001224849314 816892975 /nfs/dbraw/zinc/89/29/75/816892975.db2.gz BJXJLPKAQDSHPG-DOTOQJQBSA-N 0 3 284.403 3.037 20 30 CGEDHN CC(C)N1CC[C@@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225727360 817158921 /nfs/dbraw/zinc/15/89/21/817158921.db2.gz OYGIDTVNSGRKQW-GFCCVEGCSA-N 0 3 264.756 3.073 20 30 CGEDHN CCN1CCC[C@@H](Oc2nc3ccccc3c(C)c2C#N)C1 ZINC001226444885 817358360 /nfs/dbraw/zinc/35/83/60/817358360.db2.gz PJPPMMYMCBDOMT-CQSZACIVSA-N 0 3 295.386 3.278 20 30 CGEDHN CC(C)N1CC[C@@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550948 817394795 /nfs/dbraw/zinc/39/47/95/817394795.db2.gz WOXCQGPDLOUYSX-CQSZACIVSA-N 0 3 287.407 3.112 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001231616871 818137611 /nfs/dbraw/zinc/13/76/11/818137611.db2.gz MIVZRPVDVZRNNU-OKILXGFUSA-N 0 3 292.329 3.044 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001231617195 818138892 /nfs/dbraw/zinc/13/88/92/818138892.db2.gz PCGGJNJQLHVZLT-LSDHHAIUSA-N 0 3 270.376 3.189 20 30 CGEDHN C#Cc1cccc(CN(C)Cc2ccc3c(c2)OCO3)c1 ZINC001231663856 818153221 /nfs/dbraw/zinc/15/32/21/818153221.db2.gz SYYPSIWFDGYVHH-UHFFFAOYSA-N 0 3 279.339 3.029 20 30 CGEDHN COc1cccc2c(CN3CCC[C@H](C#N)CC3)c[nH]c21 ZINC001231900028 818207485 /nfs/dbraw/zinc/20/74/85/818207485.db2.gz BYSBBWZODZHHQJ-ZDUSSCGKSA-N 0 3 283.375 3.302 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(C#N)c(Cl)c2)CC[C@]1(C)O ZINC001232112424 818258465 /nfs/dbraw/zinc/25/84/65/818258465.db2.gz WAAUVVDAGHUHDU-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN CNc1ccccc1CN(C)Cc1ccc(C#N)cc1 ZINC001232671923 818414834 /nfs/dbraw/zinc/41/48/34/818414834.db2.gz TXASFUBVVSGDAC-UHFFFAOYSA-N 0 3 265.360 3.232 20 30 CGEDHN COc1cc(CN2CCC(CC#N)CC2)c(OC)cc1C ZINC001232832713 818452541 /nfs/dbraw/zinc/45/25/41/818452541.db2.gz MLVUANAGUYKIOV-UHFFFAOYSA-N 0 3 288.391 3.138 20 30 CGEDHN CC(C)(C)c1ccc(O)c(CN2CCC(C#N)CC2)c1 ZINC001233283936 818566219 /nfs/dbraw/zinc/56/62/19/818566219.db2.gz BITATLWAZLTEKX-UHFFFAOYSA-N 0 3 272.392 3.425 20 30 CGEDHN C=CCCCC[N@@H+](C)Cc1ccc([O-])c2[nH]c(=O)ccc12 ZINC001233295407 818572788 /nfs/dbraw/zinc/57/27/88/818572788.db2.gz ZMQBALADQKPRGF-UHFFFAOYSA-N 0 3 286.375 3.434 20 30 CGEDHN C=CCCCC[N@H+](C)Cc1ccc([O-])c2[nH]c(=O)ccc12 ZINC001233295407 818572794 /nfs/dbraw/zinc/57/27/94/818572794.db2.gz ZMQBALADQKPRGF-UHFFFAOYSA-N 0 3 286.375 3.434 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234089639 818775521 /nfs/dbraw/zinc/77/55/21/818775521.db2.gz VDSKYOJYAFPFLT-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C#C[C@H](CC(C)C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243370 818813475 /nfs/dbraw/zinc/81/34/75/818813475.db2.gz IAQCBXMCDHSXHW-CQSZACIVSA-N 0 3 293.382 3.323 20 30 CGEDHN C=C[C@@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243298 818814048 /nfs/dbraw/zinc/81/40/48/818814048.db2.gz HJTSTUCOSQCWMG-LBPRGKRZSA-N 0 3 267.344 3.239 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001234604597 818889695 /nfs/dbraw/zinc/88/96/95/818889695.db2.gz RKECGLQJCYQIDL-KRWDZBQOSA-N 0 3 290.451 3.376 20 30 CGEDHN C#C[C@@H](CCC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657710 818907464 /nfs/dbraw/zinc/90/74/64/818907464.db2.gz GWYDJIBHRDOYOD-KRWDZBQOSA-N 0 3 286.419 3.009 20 30 CGEDHN C=CC[C@@H](C=C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234662062 818909103 /nfs/dbraw/zinc/90/91/03/818909103.db2.gz YONRQLLJBPDHRP-QGZVFWFLSA-N 0 3 286.419 3.338 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235437384 819100413 /nfs/dbraw/zinc/10/04/13/819100413.db2.gz FWSQSPWBUZNVSF-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCCCCCN1CCNC[C@H]1C(F)(F)F ZINC001236975196 819639162 /nfs/dbraw/zinc/63/91/62/819639162.db2.gz HLUULEJSUCCVBY-ZDUSSCGKSA-N 0 3 278.362 3.349 20 30 CGEDHN COc1cccc2c(CN3CCC[C@@H](CC#N)C3)ccnc12 ZINC001237118485 819672122 /nfs/dbraw/zinc/67/21/22/819672122.db2.gz XZDXYZYRGQWKHL-AWEZNQCLSA-N 0 3 295.386 3.369 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237139113 819676935 /nfs/dbraw/zinc/67/69/35/819676935.db2.gz CUBZFGIBTHCYTH-NSHDSACASA-N 0 3 283.293 3.256 20 30 CGEDHN C#C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237139113 819676939 /nfs/dbraw/zinc/67/69/39/819676939.db2.gz CUBZFGIBTHCYTH-NSHDSACASA-N 0 3 283.293 3.256 20 30 CGEDHN C#C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237139113 819676941 /nfs/dbraw/zinc/67/69/41/819676941.db2.gz CUBZFGIBTHCYTH-NSHDSACASA-N 0 3 283.293 3.256 20 30 CGEDHN C=CCOc1ccc(CN2CCNC3=CCCC[C@H]32)cc1 ZINC001237217628 819698979 /nfs/dbraw/zinc/69/89/79/819698979.db2.gz BMSLJHPXYFUCLI-GOSISDBHSA-N 0 3 284.403 3.093 20 30 CGEDHN N#Cc1cc(CN2CCC3(CC[C@@H](F)C3)CC2)ccn1 ZINC001237466730 819756923 /nfs/dbraw/zinc/75/69/23/819756923.db2.gz QLZQGRIOKLHWBD-CQSZACIVSA-N 0 3 273.355 3.057 20 30 CGEDHN C=C(C)CN(CC)Cc1ccnc(OC(F)F)c1 ZINC001237622279 819788630 /nfs/dbraw/zinc/78/86/30/819788630.db2.gz MBQZZVJVOFJXQH-UHFFFAOYSA-N 0 3 256.296 3.081 20 30 CGEDHN Fc1cc(CN2CCC(S)CC2)cc(N2CCCC2)c1 ZINC001238701406 820088630 /nfs/dbraw/zinc/08/86/30/820088630.db2.gz GZFRTRKMEZPJIK-UHFFFAOYSA-N 0 3 294.439 3.320 20 30 CGEDHN CCc1cc(CN2CC3(C2)CCCC3)ccc1C#N ZINC001238761753 820111056 /nfs/dbraw/zinc/11/10/56/820111056.db2.gz WREGBXYWDQUXMK-UHFFFAOYSA-N 0 3 254.377 3.497 20 30 CGEDHN CCc1cc(CN2CC[C@@H](OC(C)C)C2)ccc1C#N ZINC001238770035 820113054 /nfs/dbraw/zinc/11/30/54/820113054.db2.gz WXDZDOPHAMPTNP-QGZVFWFLSA-N 0 3 272.392 3.120 20 30 CGEDHN CCOC1CCN(Cc2ccc(C#N)c(CC)c2)CC1 ZINC001238776003 820114452 /nfs/dbraw/zinc/11/44/52/820114452.db2.gz RECCTRJPXJIWQH-UHFFFAOYSA-N 0 3 272.392 3.122 20 30 CGEDHN N#Cc1cc(-c2cnccc2N2CCOCC2)ccc1Cl ZINC001240401769 821022583 /nfs/dbraw/zinc/02/25/83/821022583.db2.gz FKWACLSSXKIQNL-UHFFFAOYSA-N 0 3 299.761 3.110 20 30 CGEDHN COc1cc(C#N)ccc1-c1ccc(CN(C)C2CC2)cn1 ZINC001241395089 821792940 /nfs/dbraw/zinc/79/29/40/821792940.db2.gz MYZVIJYLTXQKQN-UHFFFAOYSA-N 0 3 293.370 3.223 20 30 CGEDHN COCCN(C)Cc1ccnc(-c2ccc(C#N)cc2C)c1 ZINC001242474784 823005190 /nfs/dbraw/zinc/00/51/90/823005190.db2.gz VUYGRASBDAETEO-UHFFFAOYSA-N 0 3 295.386 3.007 20 30 CGEDHN N#Cc1cc(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)ccc1[O-] ZINC001242565515 823036275 /nfs/dbraw/zinc/03/62/75/823036275.db2.gz IJELKYSLVOODAC-MRXNPFEDSA-N 0 3 278.355 3.398 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC001340384308 936404127 /nfs/dbraw/zinc/40/41/27/936404127.db2.gz SJVKWHHRZJFIOI-AWEZNQCLSA-N 0 3 298.789 3.121 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cnccc1OC ZINC001340199011 936400061 /nfs/dbraw/zinc/40/00/61/936400061.db2.gz DLBJMKRMDQJOGA-ZDUSSCGKSA-N 0 3 293.411 3.107 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@@H](CC)c1ccncc1 ZINC001340218176 936400645 /nfs/dbraw/zinc/40/06/45/936400645.db2.gz ZXBIAQXHNXEBQG-CVEARBPZSA-N 0 3 289.423 3.065 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC001340607515 936409339 /nfs/dbraw/zinc/40/93/39/936409339.db2.gz YBPNJWHBSCJCNF-SWLSCSKDSA-N 0 3 294.826 3.071 20 30 CGEDHN CC(C)CNN=C1CCN(CCc2ccc(F)cc2)CC1 ZINC001341645631 936445414 /nfs/dbraw/zinc/44/54/14/936445414.db2.gz SFMOFKLYWCTLSS-UHFFFAOYSA-N 0 3 291.414 3.066 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001342163119 936461313 /nfs/dbraw/zinc/46/13/13/936461313.db2.gz BXVJVNUJUNWNRS-HOCLYGCPSA-N 0 3 293.370 3.107 20 30 CGEDHN N#CC(C(=O)c1cnc2ccsc2c1)c1cccc(F)n1 ZINC001342559379 936470007 /nfs/dbraw/zinc/47/00/07/936470007.db2.gz UNNHEZSTCNFRDU-JTQLQIEISA-N 0 3 297.314 3.320 20 30 CGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCC=CCCC1 ZINC001342717619 936476583 /nfs/dbraw/zinc/47/65/83/936476583.db2.gz MSHCQCVGHVVBNX-GDBMZVCRSA-N 0 3 296.370 3.470 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCC(C)(C)c1ccccc1 ZINC001343703678 936510696 /nfs/dbraw/zinc/51/06/96/936510696.db2.gz CJJHMOXAJGUYFZ-OAHLLOKOSA-N 0 3 295.386 3.354 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001344865118 936547175 /nfs/dbraw/zinc/54/71/75/936547175.db2.gz ZSWTVECGHMMXBO-WISYIIOYSA-N 0 3 291.782 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001345646659 936819637 /nfs/dbraw/zinc/81/96/37/936819637.db2.gz MFMWZHYYZZHINL-SWLSCSKDSA-N 0 3 299.349 3.412 20 30 CGEDHN C=CCC[C@H]1CCCN1C(=O)C[C@@H](N)c1ccccc1 ZINC001345876018 936827913 /nfs/dbraw/zinc/82/79/13/936827913.db2.gz SGZNIJZOUFXCJT-JKSUJKDBSA-N 0 3 272.392 3.034 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC001346097106 936837946 /nfs/dbraw/zinc/83/79/46/936837946.db2.gz XYIDXXXKGVVNKJ-GFCCVEGCSA-N 0 3 299.399 3.333 20 30 CGEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001346152435 936840000 /nfs/dbraw/zinc/84/00/00/936840000.db2.gz YIULIBKQBGAHPV-LDYMZIIASA-N 0 3 293.729 3.387 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C)(C)C1CC1 ZINC001347336927 936880121 /nfs/dbraw/zinc/88/01/21/936880121.db2.gz AGARUCSRAPELTH-JTQLQIEISA-N 0 3 279.771 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC001349703428 936959073 /nfs/dbraw/zinc/95/90/73/936959073.db2.gz XJDYBXMIAPMOLY-LCGIIJARSA-N 0 3 293.370 3.129 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1ccc(CC)cc1)C1CC1 ZINC001481195721 926905109 /nfs/dbraw/zinc/90/51/09/926905109.db2.gz XYUIUOOVLDPZDT-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001481676319 927054106 /nfs/dbraw/zinc/05/41/06/927054106.db2.gz CSISBMDJCXUUDK-ZOBUZTSGSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC1(C)C ZINC001482448998 927243493 /nfs/dbraw/zinc/24/34/93/927243493.db2.gz IYBIPXWWUDVIIW-KGLIPLIRSA-N 0 3 298.858 3.146 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001482650405 927335734 /nfs/dbraw/zinc/33/57/34/927335734.db2.gz TTZHPDGYGGWDIW-UHFFFAOYSA-N 0 3 286.419 3.144 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@]1(C)CCC[C@H]1C ZINC001483491222 927513534 /nfs/dbraw/zinc/51/35/34/927513534.db2.gz YNUFHXXNPWTISG-IUODEOHRSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001483662414 927562001 /nfs/dbraw/zinc/56/20/01/927562001.db2.gz UYYGTXADRZPBKH-GDBMZVCRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001484715689 927741533 /nfs/dbraw/zinc/74/15/33/927741533.db2.gz VCADXGINFSDLHI-VIIAAUOXSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCCC(=O)NC1(CNCC(=C)Cl)CCCCC1 ZINC001485446753 927870222 /nfs/dbraw/zinc/87/02/22/927870222.db2.gz DYEYGNDQXQAPRX-UHFFFAOYSA-N 0 3 284.831 3.114 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001485581466 927887996 /nfs/dbraw/zinc/88/79/96/927887996.db2.gz DNCMBAOQCMLOSV-LSDHHAIUSA-N 0 3 294.483 3.461 20 30 CGEDHN CC#CCN[C@@H](C)CN(C)C(=O)C(CC(C)C)CC(C)C ZINC001485963261 927978628 /nfs/dbraw/zinc/97/86/28/927978628.db2.gz QDBIRUSYRAYOPI-INIZCTEOSA-N 0 3 294.483 3.155 20 30 CGEDHN C[C@H](CCCC#N)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001172485886 928221555 /nfs/dbraw/zinc/22/15/55/928221555.db2.gz VFCAFNZEFJOWGP-MFKMUULPSA-N 0 3 280.318 3.460 20 30 CGEDHN CN1CCc2ccc(Nc3ccc(C#N)cc3F)cc2C1 ZINC001201575828 928280584 /nfs/dbraw/zinc/28/05/84/928280584.db2.gz YEJYLXAMLMCMHR-UHFFFAOYSA-N 0 3 281.334 3.429 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)C1CCC1 ZINC001488646049 928287915 /nfs/dbraw/zinc/28/79/15/928287915.db2.gz YGVQLQYBCCLQKW-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001488842637 928304286 /nfs/dbraw/zinc/30/42/86/928304286.db2.gz WIIRSPAAELKDIU-MQMHXKEQSA-N 0 3 298.858 3.050 20 30 CGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C(C)(C)CCCCC ZINC001493163111 928340019 /nfs/dbraw/zinc/34/00/19/928340019.db2.gz RJLMTXLDHXUYSV-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(OC)c(O)cc2Cl)C1 ZINC001560948482 937238897 /nfs/dbraw/zinc/23/88/97/937238897.db2.gz YDOADJRZGPEEIJ-NSHDSACASA-N 0 3 281.783 3.452 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001490548009 928366009 /nfs/dbraw/zinc/36/60/09/928366009.db2.gz KVEMVOGOUZLSFR-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001490563505 928372703 /nfs/dbraw/zinc/37/27/03/928372703.db2.gz NZHKEMJRJMURPR-IAGOWNOFSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001490593847 928376360 /nfs/dbraw/zinc/37/63/60/928376360.db2.gz ACTZXCXWZPFAGT-SMDADKPZSA-N 0 3 296.842 3.066 20 30 CGEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@H](O)c1ccccc1 ZINC000903086066 928768417 /nfs/dbraw/zinc/76/84/17/928768417.db2.gz BSCNKRWOOJERQK-RPVQJOFSSA-N 0 3 295.386 3.116 20 30 CGEDHN CC[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1ccccc1F ZINC001460313533 937526343 /nfs/dbraw/zinc/52/63/43/937526343.db2.gz DXRVKBFOOPQWSV-MSOLQXFVSA-N 0 3 298.361 3.472 20 30 CGEDHN CN1CCc2cc(O[C@H](C#N)c3ccccc3F)ccc2C1 ZINC001228945990 932057505 /nfs/dbraw/zinc/05/75/05/932057505.db2.gz ZGXLFNPEPKAYOH-GOSISDBHSA-N 0 3 296.345 3.457 20 30 CGEDHN C=CC[C@H](NCc1ccc2nccnc2c1)c1ccncc1 ZINC001461220547 937570502 /nfs/dbraw/zinc/57/05/02/937570502.db2.gz ROHMKCMVCCWAHP-INIZCTEOSA-N 0 3 290.370 3.432 20 30 CGEDHN C#CC[C@@H](CO)NCc1ccc(-c2ccccc2)c(Cl)c1 ZINC001461526073 937585088 /nfs/dbraw/zinc/58/50/88/937585088.db2.gz FVIIJVQTTZUWRV-INIZCTEOSA-N 0 3 299.801 3.481 20 30 CGEDHN N#Cc1csc(CNCc2ccc3cccnc3c2)c1 ZINC001461683565 937592132 /nfs/dbraw/zinc/59/21/32/937592132.db2.gz NQEWRGFDRKSTBT-UHFFFAOYSA-N 0 3 279.368 3.458 20 30 CGEDHN COc1ccc(CNCc2ccc(C)c(C#N)c2)cc1F ZINC001461740822 937594724 /nfs/dbraw/zinc/59/47/24/937594724.db2.gz GWXOQPSZLOQFNJ-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN C=CCN(CCOC)[C@@H](C)c1nccc2ccccc21 ZINC001462192791 937624115 /nfs/dbraw/zinc/62/41/15/937624115.db2.gz SUCQXXANPMSRJH-AWEZNQCLSA-N 0 3 270.376 3.430 20 30 CGEDHN C#CCCN1CCN([C@H](C)c2c(C)cc(C)cc2C)CC1 ZINC001307653556 932981956 /nfs/dbraw/zinc/98/19/56/932981956.db2.gz HNRPAQVXCUOPPU-GOSISDBHSA-N 0 3 284.447 3.314 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001308078814 933044672 /nfs/dbraw/zinc/04/46/72/933044672.db2.gz WREALCSSNGYSCS-GFCCVEGCSA-N 0 3 294.402 3.093 20 30 CGEDHN C[C@H]1Cc2n[nH]cc2CN(CCCCC(C)(C)C#N)C1 ZINC001308076372 933045328 /nfs/dbraw/zinc/04/53/28/933045328.db2.gz BIXDIZKHZZDURG-ZDUSSCGKSA-N 0 3 274.412 3.124 20 30 CGEDHN CC(C)(C#N)CCCCN1CCc2cc(O)ccc2C1 ZINC001308173410 933065000 /nfs/dbraw/zinc/06/50/00/933065000.db2.gz LPPTXKWTQBCLAP-UHFFFAOYSA-N 0 3 272.392 3.470 20 30 CGEDHN CC(=O)Nc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC001308517635 933124063 /nfs/dbraw/zinc/12/40/63/933124063.db2.gz LKYRJNNXLDRELE-UHFFFAOYSA-N 0 3 293.370 3.115 20 30 CGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001317380626 933582848 /nfs/dbraw/zinc/58/28/48/933582848.db2.gz FPKPFSGNOFBBAO-MRXNPFEDSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCN(CC)CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001317480462 933598636 /nfs/dbraw/zinc/59/86/36/933598636.db2.gz UZLBHGIHRFVVJQ-QAQDUYKDSA-N 0 3 292.467 3.217 20 30 CGEDHN C=CCN(C)CCNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001317471497 933600107 /nfs/dbraw/zinc/60/01/07/933600107.db2.gz KIQPFPGYMKPWCN-CQSZACIVSA-N 0 3 274.408 3.048 20 30 CGEDHN C=CCN(CC)CCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001317488370 933601712 /nfs/dbraw/zinc/60/17/12/933601712.db2.gz GTBPVMLRNXDCLP-CQSZACIVSA-N 0 3 268.445 3.073 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC001317714658 933636477 /nfs/dbraw/zinc/63/64/77/933636477.db2.gz HRKWATASFCCEOA-CVEARBPZSA-N 0 3 286.419 3.056 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@]1(C)C=CCC1)c1ccccc1 ZINC001317721454 933638674 /nfs/dbraw/zinc/63/86/74/933638674.db2.gz GIJNQYVLOLXFJY-PKOBYXMFSA-N 0 3 298.430 3.366 20 30 CGEDHN C#CCN(Cc1cc(=O)oc2cc(C)c(C)cc12)CC1CC1 ZINC001319458861 933879484 /nfs/dbraw/zinc/87/94/84/933879484.db2.gz RYTOFYVLAGUMLG-UHFFFAOYSA-N 0 3 295.382 3.255 20 30 CGEDHN C=CCO[C@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001323731472 934422830 /nfs/dbraw/zinc/42/28/30/934422830.db2.gz WCVHOEXLVRSVCS-HOCLYGCPSA-N 0 3 261.340 3.090 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001324668067 934546461 /nfs/dbraw/zinc/54/64/61/934546461.db2.gz CTOKCWGQDUQSLK-WBVHZDCISA-N 0 3 280.456 3.215 20 30 CGEDHN C#CC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC001473580912 937812774 /nfs/dbraw/zinc/81/27/74/937812774.db2.gz BGOWUBDDDPZHJU-INIZCTEOSA-N 0 3 271.791 3.427 20 30 CGEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001325677419 934923607 /nfs/dbraw/zinc/92/36/07/934923607.db2.gz HVJASMLNKPZLRP-CQSZACIVSA-N 0 3 273.767 3.232 20 30 CGEDHN C=CC[C@H]1CCCN(CN2CC[C@H](c3ccccc3)C2=O)C1 ZINC001327701747 935079698 /nfs/dbraw/zinc/07/96/98/935079698.db2.gz ZHZVBAKWGZEZDZ-FUHWJXTLSA-N 0 3 298.430 3.248 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C2CCC2)cc1 ZINC001329459777 935218433 /nfs/dbraw/zinc/21/84/33/935218433.db2.gz LWRKBLNZNJNNFT-AWEZNQCLSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCc2cc(C(C)(C)C)ccc2C1 ZINC001330551979 935296373 /nfs/dbraw/zinc/29/63/73/935296373.db2.gz ZYMGHRZSEOTHOU-QGZVFWFLSA-N 0 3 273.420 3.279 20 30 CGEDHN C=CCN(C)CCN(C(=O)C[C@@H]1CCC[C@H]1C)C(C)C ZINC001332707290 935483341 /nfs/dbraw/zinc/48/33/41/935483341.db2.gz LKAVVLUSSPQVMG-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)CCN(C(=O)C[C@H]1CCC[C@H]1C)C(C)C ZINC001332707293 935483641 /nfs/dbraw/zinc/48/36/41/935483641.db2.gz LKAVVLUSSPQVMG-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC=C(c2cccc(C)c2C)CC1 ZINC001473872909 937826113 /nfs/dbraw/zinc/82/61/13/937826113.db2.gz VEWHRIWKBJGXDF-GOSISDBHSA-N 0 3 271.404 3.330 20 30 CGEDHN C#CCN1CCC[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC001474265846 937847075 /nfs/dbraw/zinc/84/70/75/937847075.db2.gz IFKNFTTYZWNYEA-AWEZNQCLSA-N 0 3 297.229 3.181 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(F)CCCCC1 ZINC001479253852 937918429 /nfs/dbraw/zinc/91/84/29/937918429.db2.gz DFDUGBKNJWALMC-OAHLLOKOSA-N 0 3 296.430 3.158 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001479908039 937928980 /nfs/dbraw/zinc/92/89/80/937928980.db2.gz CKGFKEMQUMRHTO-CVEARBPZSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCCCCCN1CC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001479957299 937929494 /nfs/dbraw/zinc/92/94/94/937929494.db2.gz SDCNDIXFVSXHKH-OAHLLOKOSA-N 0 3 296.430 3.206 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C2CCCC2)CC1 ZINC001479989617 937930721 /nfs/dbraw/zinc/93/07/21/937930721.db2.gz IBIRYQFZYQFANC-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)C(C)(C)C1CCCC1 ZINC001493297544 937949027 /nfs/dbraw/zinc/94/90/27/937949027.db2.gz VAKKMAGZZRVALC-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(CC=C(C)C)C1 ZINC001494281786 937953928 /nfs/dbraw/zinc/95/39/28/937953928.db2.gz CRKDBGMUACRRIW-HZPDHXFCSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@H]2C(C)C)CCCC1 ZINC001495961336 937960781 /nfs/dbraw/zinc/96/07/81/937960781.db2.gz NQLFORXTCPXMML-KBPBESRZSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@@H]2C(C)C)CCCC1 ZINC001495961337 937960788 /nfs/dbraw/zinc/96/07/88/937960788.db2.gz NQLFORXTCPXMML-KGLIPLIRSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(CC)CCCC1 ZINC001497301484 937965498 /nfs/dbraw/zinc/96/54/98/937965498.db2.gz RDTYLOOIZUQBLL-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CC1(CC(=O)N[C@@H](C)CNC[C@H](F)CC)CCCCC1 ZINC001498134559 937967885 /nfs/dbraw/zinc/96/78/85/937967885.db2.gz USQFJCZZLBCHFQ-LSDHHAIUSA-N 0 3 298.446 3.355 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1CCCC1CCC1 ZINC001498986894 937971701 /nfs/dbraw/zinc/97/17/01/937971701.db2.gz SEQBADSEGYMEPW-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1CCCC1CCC1 ZINC001498986895 937971852 /nfs/dbraw/zinc/97/18/52/937971852.db2.gz SEQBADSEGYMEPW-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)CCN(C(=O)C[C@@H]1CC=CCC1)C(C)C ZINC001507823465 937996975 /nfs/dbraw/zinc/99/69/75/937996975.db2.gz SYEOZOIAQXWAPF-MRXNPFEDSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(C)C ZINC001507802154 937997040 /nfs/dbraw/zinc/99/70/40/937997040.db2.gz PUPCXQVFRBMAMU-JKSUJKDBSA-N 0 3 294.483 3.414 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CC=CCC1 ZINC001514974830 938004078 /nfs/dbraw/zinc/00/40/78/938004078.db2.gz RQZMYPMLLZMDDN-UONOGXRCSA-N 0 3 293.370 3.496 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517124378 938011316 /nfs/dbraw/zinc/01/13/16/938011316.db2.gz OHXPLRBXQPSBDK-VWYCJHECSA-N 0 3 299.761 3.439 20 30 CGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC001520895913 938028409 /nfs/dbraw/zinc/02/84/09/938028409.db2.gz QBTZAHLSZXLRDD-UHFFFAOYSA-N 0 3 292.423 3.081 20 30 CGEDHN N#CC(C(=O)C[C@H]1CC=CCC1)c1cccc(F)n1 ZINC001524969376 938046933 /nfs/dbraw/zinc/04/69/33/938046933.db2.gz CYOPVFITPDAGHJ-RYUDHWBXSA-N 0 3 258.296 3.143 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC1(C)CCCC1 ZINC001526586967 938056417 /nfs/dbraw/zinc/05/64/17/938056417.db2.gz IBAAPJDHNMLVDQ-JTQLQIEISA-N 0 3 279.771 3.220 20 30 CGEDHN C=CCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482855 938227404 /nfs/dbraw/zinc/22/74/04/938227404.db2.gz QXLDPPOXOXPVPI-UHFFFAOYSA-N 0 3 289.379 3.073 20 30 CGEDHN CCC#C[C@H](C)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001559519256 938228150 /nfs/dbraw/zinc/22/81/50/938228150.db2.gz XKKGLIGOGXFQQF-LSDHHAIUSA-N 0 3 294.439 3.025 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1ccc([Si](C)(C)C)cc1 ZINC001560206232 938246953 /nfs/dbraw/zinc/24/69/53/938246953.db2.gz SXKPZISPUOBYTC-OAHLLOKOSA-N 0 3 259.469 3.382 20 30 CGEDHN CSCC(C)(C)NCC#Cc1ccccc1Cl ZINC001560204545 938246977 /nfs/dbraw/zinc/24/69/77/938246977.db2.gz PDZDODVLRACFKC-UHFFFAOYSA-N 0 3 267.825 3.423 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCc1ccoc1 ZINC001560534098 938261767 /nfs/dbraw/zinc/26/17/67/938261767.db2.gz OGWNQZCHTNDDGC-UHFFFAOYSA-N 0 3 289.762 3.277 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@H]1C(C)C ZINC001560625301 938266537 /nfs/dbraw/zinc/26/65/37/938266537.db2.gz NWJMPEDPCBTVJA-SWLSCSKDSA-N 0 3 277.795 3.486 20 30 CGEDHN C#CCN(Cc1ccc(C)c(OC)n1)C1CCCCC1 ZINC001560657536 938268495 /nfs/dbraw/zinc/26/84/95/938268495.db2.gz QDWCNNOEBQUCEO-UHFFFAOYSA-N 0 3 272.392 3.167 20 30 CGEDHN N#CCCC[C@@H](NCc1cccnc1N)c1ccccc1 ZINC001560853744 938280043 /nfs/dbraw/zinc/28/00/43/938280043.db2.gz GOZQUUPGDFIWEU-MRXNPFEDSA-N 0 3 280.375 3.189 20 30 CGEDHN COc1ccc(F)cc1CN(C)CCc1cccc(C#N)c1 ZINC001560976987 938287303 /nfs/dbraw/zinc/28/73/03/938287303.db2.gz WZPKZAWNEDUAIL-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN C=CCCC(=O)NCCN(C)[C@@H](CC)c1ccc(F)cc1 ZINC001317440802 960435606 /nfs/dbraw/zinc/43/56/06/960435606.db2.gz PVFGJGNPKCMLBC-INIZCTEOSA-N 0 3 292.398 3.291 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCC1CCCCC1 ZINC001565833190 960829528 /nfs/dbraw/zinc/82/95/28/960829528.db2.gz LFSQIXCFPNSDGM-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC001566524648 960946411 /nfs/dbraw/zinc/94/64/11/960946411.db2.gz OHBRXNCFWIWBFB-OCCSQVGLSA-N 0 3 296.798 3.005 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001566633480 960969191 /nfs/dbraw/zinc/96/91/91/960969191.db2.gz PGTJNCMDHJAIGO-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](F)CC)CC1 ZINC001566700065 960986166 /nfs/dbraw/zinc/98/61/66/960986166.db2.gz QACKKPQMCOVUIM-HNNXBMFYSA-N 0 3 284.419 3.014 20 30 CGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001566756183 961005011 /nfs/dbraw/zinc/00/50/11/961005011.db2.gz HMHBEDXMIYBZKZ-IYBDPMFKSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCCN2CC=C(C)C)C1 ZINC001566925903 961063353 /nfs/dbraw/zinc/06/33/53/961063353.db2.gz RUITWXDSZGRGGB-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C)(CC)CC ZINC001567238732 961157428 /nfs/dbraw/zinc/15/74/28/961157428.db2.gz FBQGQDDCRCBGCD-LBPRGKRZSA-N 0 3 274.836 3.050 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001567387203 961304517 /nfs/dbraw/zinc/30/45/17/961304517.db2.gz VRANPINWJMYUFX-AWEZNQCLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@H](C)c1ccsc1)C1CC1 ZINC001567449448 961355821 /nfs/dbraw/zinc/35/58/21/961355821.db2.gz YIFYHZQKNGSADY-CYBMUJFWSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCN[C@H](CNC(=O)C12CCC(CC1)C2)c1ccccc1 ZINC001567659981 961384659 /nfs/dbraw/zinc/38/46/59/961384659.db2.gz REOGAOPJTXJHLT-URSIVYNOSA-N 0 3 298.430 3.200 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC(C)C ZINC001568374120 961559234 /nfs/dbraw/zinc/55/92/34/961559234.db2.gz MYEYCLQEQJJJGT-AWEZNQCLSA-N 0 3 286.847 3.146 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCN1CC/C=C\c1ccccc1 ZINC001569350699 961741092 /nfs/dbraw/zinc/74/10/92/961741092.db2.gz OPCJDIJITDIDFS-VTSXBNNFSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001569351259 961743641 /nfs/dbraw/zinc/74/36/41/961743641.db2.gz ZVXYTBQGVLKKQN-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001569459714 961767631 /nfs/dbraw/zinc/76/76/31/961767631.db2.gz PBBMWDBNIQMZTE-IYBDPMFKSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CC(C)(C)C(=O)NCc1ccc([C@H](C)NCC#CC)cc1 ZINC001570031757 961890346 /nfs/dbraw/zinc/89/03/46/961890346.db2.gz UORIYGMQTDATKX-HNNXBMFYSA-N 0 3 298.430 3.189 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C(C)=C\CC)cc1 ZINC001570030014 961890656 /nfs/dbraw/zinc/89/06/56/961890656.db2.gz MEGIIUXANMIWNA-MVMZHWFQSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001570897490 962111359 /nfs/dbraw/zinc/11/13/59/962111359.db2.gz SERHSRZXCUKIAG-HNNXBMFYSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001571027965 962117920 /nfs/dbraw/zinc/11/79/20/962117920.db2.gz BJYUHCUMBSOICZ-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C[C@H]1CC=CCC1 ZINC001571296532 962125200 /nfs/dbraw/zinc/12/52/00/962125200.db2.gz APSNYWZLDHNPFN-GJZGRUSLSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC001571236051 962126742 /nfs/dbraw/zinc/12/67/42/962126742.db2.gz DWVJPKLDUSUVJQ-YXVBKTCISA-N 0 3 286.847 3.216 20 30 CGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCCCC(C)(C)C)C1 ZINC001571478374 962163341 /nfs/dbraw/zinc/16/33/41/962163341.db2.gz CWGKFHFFPQAXAT-CVEARBPZSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CC[N@@H+](CCCC(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573341066 962245803 /nfs/dbraw/zinc/24/58/03/962245803.db2.gz GHSOZDFRAYBMBF-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CC[N@H+](CCCC(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573341066 962245812 /nfs/dbraw/zinc/24/58/12/962245812.db2.gz GHSOZDFRAYBMBF-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CC[N@@H+](CCCC(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573341066 962245844 /nfs/dbraw/zinc/24/58/44/962245844.db2.gz GHSOZDFRAYBMBF-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CC[N@H+](CCCC(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573341066 962245863 /nfs/dbraw/zinc/24/58/63/962245863.db2.gz GHSOZDFRAYBMBF-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573329406 962250602 /nfs/dbraw/zinc/25/06/02/962250602.db2.gz JADDXWXEZBDSBE-ZBFHGGJFSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573329406 962250615 /nfs/dbraw/zinc/25/06/15/962250615.db2.gz JADDXWXEZBDSBE-ZBFHGGJFSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC1(CC(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)CCCCC1 ZINC001574880947 962325949 /nfs/dbraw/zinc/32/59/49/962325949.db2.gz VIAHPQJLBFBIDP-ILXRZTDVSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCCCCCCCNC(=O)[C@@H](N)C(C)(C)C ZINC001574907631 962330204 /nfs/dbraw/zinc/33/02/04/962330204.db2.gz UQJBHVMWSPDLLY-CYBMUJFWSA-N 0 3 254.418 3.003 20 30 CGEDHN CC#CC[C@@H](N)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC001574962181 962331026 /nfs/dbraw/zinc/33/10/26/962331026.db2.gz GZCFETCIDKZJPM-CVEARBPZSA-N 0 3 286.419 3.021 20 30 CGEDHN C=CCCCC[N@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588596293 963290702 /nfs/dbraw/zinc/29/07/02/963290702.db2.gz MRVTUSQYDLLWMH-UHFFFAOYSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CCCCC[N@@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588596293 963290715 /nfs/dbraw/zinc/29/07/15/963290715.db2.gz MRVTUSQYDLLWMH-UHFFFAOYSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CCCCC[N@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588596293 963290728 /nfs/dbraw/zinc/29/07/28/963290728.db2.gz MRVTUSQYDLLWMH-UHFFFAOYSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CCCCC[N@@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588596293 963290738 /nfs/dbraw/zinc/29/07/38/963290738.db2.gz MRVTUSQYDLLWMH-UHFFFAOYSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@@H+](CCC=C(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632027 963295003 /nfs/dbraw/zinc/29/50/03/963295003.db2.gz HTRVRHBGDGAEFH-UHFFFAOYSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@H+](CCC=C(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632027 963295010 /nfs/dbraw/zinc/29/50/10/963295010.db2.gz HTRVRHBGDGAEFH-UHFFFAOYSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@@H+](CCC=C(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632027 963295023 /nfs/dbraw/zinc/29/50/23/963295023.db2.gz HTRVRHBGDGAEFH-UHFFFAOYSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@H+](CCC=C(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632027 963295028 /nfs/dbraw/zinc/29/50/28/963295028.db2.gz HTRVRHBGDGAEFH-UHFFFAOYSA-N 0 3 297.406 3.211 20 30 CGEDHN N#CCCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000589703647 346809007 /nfs/dbraw/zinc/80/90/07/346809007.db2.gz PYZNMHHYADPZHS-QGZVFWFLSA-N 0 3 299.418 3.024 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2c1cc(F)cc2F ZINC000651452845 398246247 /nfs/dbraw/zinc/24/62/47/398246247.db2.gz DAINFBRHPYWRHN-OAGGEKHMSA-N 0 3 279.330 3.275 20 30 CGEDHN N#CCCOCCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000590166160 346834143 /nfs/dbraw/zinc/83/41/43/346834143.db2.gz ZAPBGZZCJQHSJF-MRXNPFEDSA-N 0 3 297.402 3.278 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000651700262 398271263 /nfs/dbraw/zinc/27/12/63/398271263.db2.gz ZCHKSSDDOZTFOD-VYDXJSESSA-N 0 3 284.403 3.126 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2csc(COC)n2)C1 ZINC000651813936 398291394 /nfs/dbraw/zinc/29/13/94/398291394.db2.gz DDJCKEGLGPCMCZ-RYUDHWBXSA-N 0 3 266.410 3.124 20 30 CGEDHN C=C(C)CN1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000590929931 346888916 /nfs/dbraw/zinc/88/89/16/346888916.db2.gz HLDDRTPFMXWBIF-HNNXBMFYSA-N 0 3 270.420 3.478 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)CCCCCC#N)c(F)c1 ZINC000591094258 346900616 /nfs/dbraw/zinc/90/06/16/346900616.db2.gz FCVHRRCFCUOCOT-UHFFFAOYSA-N 0 3 291.370 3.300 20 30 CGEDHN Cc1n[nH]cc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000591348834 346917121 /nfs/dbraw/zinc/91/71/21/346917121.db2.gz HLZVNBXTHNWQJC-GTNSWQLSSA-N 0 3 280.375 3.318 20 30 CGEDHN CCc1ccc([C@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000336603789 529726928 /nfs/dbraw/zinc/72/69/28/529726928.db2.gz PYJKAFYACCPOOX-CJNGLKHVSA-N 0 3 270.376 3.115 20 30 CGEDHN CC(C)COCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000337317042 214000941 /nfs/dbraw/zinc/00/09/41/214000941.db2.gz LFHVDTLHFVQPRJ-UHFFFAOYSA-N 0 3 272.392 3.195 20 30 CGEDHN C=CCCn1cc(CNCC[C@H]2CCCC2(C)C)nn1 ZINC000623584052 349840782 /nfs/dbraw/zinc/84/07/82/349840782.db2.gz DEWSKHWSUBAHLU-CQSZACIVSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000592069009 346958857 /nfs/dbraw/zinc/95/88/57/346958857.db2.gz COLYZIWXUNBFQF-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C[C@H](c1cccc2ccccc21)N1CC[C@](O)(CC#N)C1 ZINC000592151430 346968007 /nfs/dbraw/zinc/96/80/07/346968007.db2.gz OUPXTSQYBPPZNX-RDTXWAMCSA-N 0 3 280.371 3.251 20 30 CGEDHN CCN(Cc1ccncc1C#N)[C@H]1CCCC[C@@H]1C ZINC000592117069 346964242 /nfs/dbraw/zinc/96/42/42/346964242.db2.gz WSESQWBTYLDWNM-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN COc1cc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)ccc1C#N ZINC000592374413 346980352 /nfs/dbraw/zinc/98/03/52/346980352.db2.gz FMBIERVYHJRPNP-GASCZTMLSA-N 0 3 288.391 3.003 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@H]2CSc3ccccc3O2)C1 ZINC000592391435 346981865 /nfs/dbraw/zinc/98/18/65/346981865.db2.gz LCRQHAUVYSWZBI-RDBSUJKOSA-N 0 3 288.416 3.212 20 30 CGEDHN CCC1CCC(N(C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592497792 346994057 /nfs/dbraw/zinc/99/40/57/346994057.db2.gz GKRLKADVXZPWLH-UHFFFAOYSA-N 0 3 297.406 3.002 20 30 CGEDHN Cc1ccc(-c2nn(C)cc2CN2CCC(CC#N)CC2)o1 ZINC000592507632 346995008 /nfs/dbraw/zinc/99/50/08/346995008.db2.gz VGYAVFMURJDNHB-UHFFFAOYSA-N 0 3 298.390 3.114 20 30 CGEDHN N#Cc1ccc(-c2cc(CN3CCCC3)ccc2F)cn1 ZINC000592986355 347024032 /nfs/dbraw/zinc/02/40/32/347024032.db2.gz MUCSTKXIRBEDQX-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN CN(C)CCOc1cccc(-c2ccc(CC#N)s2)c1 ZINC000592984045 347023297 /nfs/dbraw/zinc/02/32/97/347023297.db2.gz LFCOVZYYWRARQE-UHFFFAOYSA-N 0 3 286.400 3.422 20 30 CGEDHN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCOC1 ZINC000593070531 347035331 /nfs/dbraw/zinc/03/53/31/347035331.db2.gz NQTKEBWHPQRCOF-QGZVFWFLSA-N 0 3 286.419 3.489 20 30 CGEDHN N#CCCOCCNC1(c2ccccc2Cl)CCC1 ZINC000593041314 347031966 /nfs/dbraw/zinc/03/19/66/347031966.db2.gz ZYFNKGDTHCMSQQ-UHFFFAOYSA-N 0 3 278.783 3.239 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000593115812 347041276 /nfs/dbraw/zinc/04/12/76/347041276.db2.gz FPTHUITZXKSFGN-AWEZNQCLSA-N 0 3 262.303 3.098 20 30 CGEDHN C=C(C)CN1CCC(N[C@H](C)c2nc(C)cs2)CC1 ZINC000623889789 349906407 /nfs/dbraw/zinc/90/64/07/349906407.db2.gz WCUNUAXIKZAUQB-CYBMUJFWSA-N 0 3 279.453 3.143 20 30 CGEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCc2ccc(F)cc21 ZINC000593119172 347042337 /nfs/dbraw/zinc/04/23/37/347042337.db2.gz YHWMKDURZXTXIJ-DVOMOZLQSA-N 0 3 272.367 3.480 20 30 CGEDHN C[C@H](COCC1CC1)N[C@H](C)c1cccc(C#N)c1 ZINC000593183401 347048618 /nfs/dbraw/zinc/04/86/18/347048618.db2.gz WBBFUJYHFVYBTC-CHWSQXEVSA-N 0 3 258.365 3.024 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004482 345019178 /nfs/dbraw/zinc/01/91/78/345019178.db2.gz UJYBHJVFQMWSOL-CQSZACIVSA-N 0 3 261.365 3.417 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000053099145 345114632 /nfs/dbraw/zinc/11/46/32/345114632.db2.gz FNNCWQIKXXVWIX-OAHLLOKOSA-N 0 3 261.365 3.417 20 30 CGEDHN C=CCN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000053137708 345115076 /nfs/dbraw/zinc/11/50/76/345115076.db2.gz BJWFXPVMPNTHAB-UHFFFAOYSA-N 0 3 283.318 3.447 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(C)C)CC1 ZINC000067707540 345329618 /nfs/dbraw/zinc/32/96/18/345329618.db2.gz SISFBOXPGZSAEY-UHFFFAOYSA-N 0 3 284.403 3.094 20 30 CGEDHN C[C@@H]1CCCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075744536 345521684 /nfs/dbraw/zinc/52/16/84/345521684.db2.gz ACOJRBYUHZEAIS-CYBMUJFWSA-N 0 3 296.374 3.373 20 30 CGEDHN C=CCOc1ccc(CN(C)CCc2nccs2)cc1 ZINC000093843723 345889249 /nfs/dbraw/zinc/88/92/49/345889249.db2.gz UCIACAUMDCAWIP-UHFFFAOYSA-N 0 3 288.416 3.382 20 30 CGEDHN C[C@H](CCO)N(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000093303962 345874281 /nfs/dbraw/zinc/87/42/81/345874281.db2.gz JWAGKORYQDVALT-MRXNPFEDSA-N 0 3 294.398 3.331 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCc2ccccc2CC1 ZINC000120987107 346000358 /nfs/dbraw/zinc/00/03/58/346000358.db2.gz UBYCOOZXQLDVER-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN COc1ccc(CN2CCc3ccccc3CC2)cc1C#N ZINC000125025926 346014393 /nfs/dbraw/zinc/01/43/93/346014393.db2.gz YMTKDCUUJCNIGI-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN CCCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000153896782 346146516 /nfs/dbraw/zinc/14/65/16/346146516.db2.gz ZKUWXUFUUXOHDP-UHFFFAOYSA-N 0 3 294.402 3.029 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCS[C@@H](C)[C@@H]1C ZINC000165509133 346184891 /nfs/dbraw/zinc/18/48/91/346184891.db2.gz MZPFAPSVWKELME-STQMWFEESA-N 0 3 260.406 3.193 20 30 CGEDHN COc1ccc(CNC[C@H]2CCCCC2(F)F)cc1C#N ZINC000295137073 199365814 /nfs/dbraw/zinc/36/58/14/199365814.db2.gz PHVFIDQEWNODEO-CQSZACIVSA-N 0 3 294.345 3.482 20 30 CGEDHN C=CCOCCCN(Cc1ccc(F)cc1)C1CC1 ZINC000347971659 346509856 /nfs/dbraw/zinc/50/98/56/346509856.db2.gz OUYGPHPNJLXSKT-UHFFFAOYSA-N 0 3 263.356 3.383 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000397867643 346585363 /nfs/dbraw/zinc/58/53/63/346585363.db2.gz WQMVERMKGMXOSX-HUUCEWRRSA-N 0 3 262.397 3.104 20 30 CGEDHN C=CCOCCN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000550065581 346655030 /nfs/dbraw/zinc/65/50/30/346655030.db2.gz ABDQIPGVRUDPBS-SWLSCSKDSA-N 0 3 265.784 3.367 20 30 CGEDHN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000584722472 346710375 /nfs/dbraw/zinc/71/03/75/346710375.db2.gz NZSRLNLORLGYHL-CXAGYDPISA-N 0 3 299.374 3.479 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cc3c(s2)CCCC3)C1 ZINC000584568799 346683181 /nfs/dbraw/zinc/68/31/81/346683181.db2.gz QANINZXLBBWWRR-YPMHNXCESA-N 0 3 260.406 3.409 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCCCC2 ZINC000585816725 346731074 /nfs/dbraw/zinc/73/10/74/346731074.db2.gz IYLJYXYXSMIZQH-IAGOWNOFSA-N 0 3 299.418 3.171 20 30 CGEDHN CN(C)CCc1ccccc1NC(=O)CCCCCC#N ZINC000588164761 346754048 /nfs/dbraw/zinc/75/40/48/346754048.db2.gz KHXHUIKLGBDIKI-UHFFFAOYSA-N 0 3 287.407 3.203 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC1(C2CCC2)CC1 ZINC000593834229 347117791 /nfs/dbraw/zinc/11/77/91/347117791.db2.gz HDVPCPIYMMJZAC-OAHLLOKOSA-N 0 3 282.387 3.208 20 30 CGEDHN N#Cc1ccc(C2(NC[C@H](O)C3CCCCC3)CCC2)cc1 ZINC000594033167 347140758 /nfs/dbraw/zinc/14/07/58/347140758.db2.gz INMOKIGDPPCFLS-SFHVURJKSA-N 0 3 298.430 3.468 20 30 CGEDHN CC(C)CC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033659 347140788 /nfs/dbraw/zinc/14/07/88/347140788.db2.gz WZCDBZSIKCRVKS-QGZVFWFLSA-N 0 3 286.419 3.324 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2CC2CCCC2)nc1 ZINC000594053367 347145944 /nfs/dbraw/zinc/14/59/44/347145944.db2.gz OVRXQHZDWCMPBB-KRWDZBQOSA-N 0 3 269.392 3.498 20 30 CGEDHN N#Cc1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000594600439 347200256 /nfs/dbraw/zinc/20/02/56/347200256.db2.gz LFSXTGIYKUIPSA-CVEARBPZSA-N 0 3 273.355 3.126 20 30 CGEDHN C[C@@H]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)CS1 ZINC000594497600 347179451 /nfs/dbraw/zinc/17/94/51/347179451.db2.gz IKRXAFCQBQRSKC-DOMZBBRYSA-N 0 3 272.417 3.421 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000594987944 347249938 /nfs/dbraw/zinc/24/99/38/347249938.db2.gz NADNZZHDHMIGON-GJZGRUSLSA-N 0 3 288.391 3.367 20 30 CGEDHN C=C1CCN(C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000594754335 347216470 /nfs/dbraw/zinc/21/64/70/347216470.db2.gz ONNYCRPJWLGWCS-QGZVFWFLSA-N 0 3 289.419 3.004 20 30 CGEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cc[nH]c(=O)c1 ZINC000594942991 347236817 /nfs/dbraw/zinc/23/68/17/347236817.db2.gz FRERVFHLASOEQT-CYBMUJFWSA-N 0 3 293.370 3.193 20 30 CGEDHN CC1(C)CC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594948234 347238321 /nfs/dbraw/zinc/23/83/21/347238321.db2.gz XYCMHCRCXZPQEA-INIZCTEOSA-N 0 3 284.403 3.289 20 30 CGEDHN C=CCCSCCNCc1cccc2c1OCCCO2 ZINC000594960174 347241303 /nfs/dbraw/zinc/24/13/03/347241303.db2.gz MEHWXATUMWWSAH-UHFFFAOYSA-N 0 3 293.432 3.247 20 30 CGEDHN Cc1ncccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594967823 347244798 /nfs/dbraw/zinc/24/47/98/347244798.db2.gz HWCYQLYYJVPVFC-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000594974866 347246556 /nfs/dbraw/zinc/24/65/56/347246556.db2.gz LAGACQWNTGQMDP-IPYPFGDCSA-N 0 3 258.340 3.223 20 30 CGEDHN CN(C(=O)[C@@H](N)CCCC#N)C1CC(C)(C)CC(C)(C)C1 ZINC000595255265 347285542 /nfs/dbraw/zinc/28/55/42/347285542.db2.gz MMUVBWREFOXHQE-AWEZNQCLSA-N 0 3 293.455 3.071 20 30 CGEDHN CCN(CCc1ccc(C#N)cc1)CCC(F)(F)F ZINC000595301754 347289237 /nfs/dbraw/zinc/28/92/37/347289237.db2.gz OKDSPYQYJRQDMS-UHFFFAOYSA-N 0 3 270.298 3.375 20 30 CGEDHN CC[C@@](C)(NCCc1ccc(C#N)cc1)c1nccs1 ZINC000595376520 347296977 /nfs/dbraw/zinc/29/69/77/347296977.db2.gz JWNAVSORDNJFLR-MRXNPFEDSA-N 0 3 285.416 3.472 20 30 CGEDHN C[C@@H](CSCCF)NCc1ccc(C#N)c(Cl)c1 ZINC000595037913 347265625 /nfs/dbraw/zinc/26/56/25/347265625.db2.gz FLODZBGMRABWGW-JTQLQIEISA-N 0 3 286.803 3.392 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)F)nc1 ZINC000595043534 347267159 /nfs/dbraw/zinc/26/71/59/347267159.db2.gz GSTODWHFGIFLFO-JFGNBEQYSA-N 0 3 265.307 3.362 20 30 CGEDHN COC[C@H](NCCc1ccc(C#N)cc1)c1ccccc1 ZINC000595055459 347270795 /nfs/dbraw/zinc/27/07/95/347270795.db2.gz DXWPRVRBUHLHOO-SFHVURJKSA-N 0 3 280.371 3.078 20 30 CGEDHN CC[C@@H](COCC1CC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000595056943 347272840 /nfs/dbraw/zinc/27/28/40/347272840.db2.gz UCTOSWGFYJKEPJ-GUYCJALGSA-N 0 3 272.392 3.414 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cnc(C)nc1C ZINC000595058288 347273180 /nfs/dbraw/zinc/27/31/80/347273180.db2.gz GSKYFPMNYNJPCM-LLVKDONJSA-N 0 3 265.426 3.053 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cnc(C)s1 ZINC000595059454 347274187 /nfs/dbraw/zinc/27/41/87/347274187.db2.gz OTLFAODBCSZOIA-JTQLQIEISA-N 0 3 256.440 3.411 20 30 CGEDHN C[C@H](COc1c(F)cccc1F)N[C@@H]1CC[C@H](C#N)C1 ZINC000595071877 347276905 /nfs/dbraw/zinc/27/69/05/347276905.db2.gz CEJDQGLEJRAXPF-GRYCIOLGSA-N 0 3 280.318 3.014 20 30 CGEDHN C[C@@H](COc1c(F)cccc1F)N[C@@H]1CCC[C@H](C#N)C1 ZINC000595073378 347277295 /nfs/dbraw/zinc/27/72/95/347277295.db2.gz WRZXHTKWWAQIJR-RWMBFGLXSA-N 0 3 294.345 3.404 20 30 CGEDHN N#CC1(CN[C@H]2CCCSCC2)CCCCC1 ZINC000595092696 347281118 /nfs/dbraw/zinc/28/11/18/347281118.db2.gz ZHMHAJVHVYDMHH-ZDUSSCGKSA-N 0 3 252.427 3.336 20 30 CGEDHN CC[C@@H](C)N(CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000595598447 347323528 /nfs/dbraw/zinc/32/35/28/347323528.db2.gz CZLLGPOEALQRSD-SNVBAGLBSA-N 0 3 293.436 3.296 20 30 CGEDHN Cc1cc(C)cc(OCCN2CCC[C@H](CC#N)C2)c1 ZINC000595612215 347327932 /nfs/dbraw/zinc/32/79/32/347327932.db2.gz TXFKBURNMLUUKR-MRXNPFEDSA-N 0 3 272.392 3.308 20 30 CGEDHN COc1cncc(/C=C\CCN2CCC[C@H](CC#N)C2)c1 ZINC000595622402 347329659 /nfs/dbraw/zinc/32/96/59/347329659.db2.gz ABZVGEMHTUWVPA-ZSQCLPQSSA-N 0 3 285.391 3.119 20 30 CGEDHN C=CCN(CCC1(C#N)CCCCC1)[C@@H](C)COC ZINC000595640013 347332008 /nfs/dbraw/zinc/33/20/08/347332008.db2.gz YXISXONGKOREMJ-HNNXBMFYSA-N 0 3 264.413 3.373 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595659890 347334289 /nfs/dbraw/zinc/33/42/89/347334289.db2.gz QRZPNKOVYQDDGF-ZDUSSCGKSA-N 0 3 285.347 3.255 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000595660970 347335070 /nfs/dbraw/zinc/33/50/70/347335070.db2.gz UVAFAXJDUJJJRK-CHWSQXEVSA-N 0 3 277.364 3.415 20 30 CGEDHN C=CCC1(NCc2nc(C(=O)OCC)cs2)CCCC1 ZINC000595779663 347354936 /nfs/dbraw/zinc/35/49/36/347354936.db2.gz DIHCNGKGMDSBNC-UHFFFAOYSA-N 0 3 294.420 3.298 20 30 CGEDHN COc1cc(C#N)ccc1OC[C@H]1CCCCN1C(C)C ZINC000596240936 347402935 /nfs/dbraw/zinc/40/29/35/347402935.db2.gz HWHDUXGJFKACBB-OAHLLOKOSA-N 0 3 288.391 3.209 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)c(C(=O)OC)o1 ZINC000595842825 347366131 /nfs/dbraw/zinc/36/61/31/347366131.db2.gz VNVIAJIUWDXRBE-BETUJISGSA-N 0 3 275.348 3.058 20 30 CGEDHN C[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccc(C#N)cc1 ZINC000273307103 192106246 /nfs/dbraw/zinc/10/62/46/192106246.db2.gz VTVATVBUBLTJJS-BEFAXECRSA-N 0 3 294.398 3.203 20 30 CGEDHN Cc1nc(N[C@H]2CCN(C(C)(C)C)C2)c(Cl)cc1C#N ZINC000596336049 347422212 /nfs/dbraw/zinc/42/22/12/347422212.db2.gz LFMVSNVFMXADSE-LBPRGKRZSA-N 0 3 292.814 3.200 20 30 CGEDHN CN(CCc1nccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597026618 347528570 /nfs/dbraw/zinc/52/85/70/347528570.db2.gz POWXYPVOYMQIDO-UHFFFAOYSA-N 0 3 297.427 3.373 20 30 CGEDHN CN(CCc1ccccn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597080961 347533838 /nfs/dbraw/zinc/53/38/38/347533838.db2.gz XYPCCEMBBVCJRV-UHFFFAOYSA-N 0 3 291.398 3.311 20 30 CGEDHN C=C(CC)CNCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597142988 347539942 /nfs/dbraw/zinc/53/99/42/347539942.db2.gz FGTCFBVYJDUHTN-UHFFFAOYSA-N 0 3 267.756 3.182 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1ccc(C(=O)OC)cc1F ZINC000597222329 347556836 /nfs/dbraw/zinc/55/68/36/347556836.db2.gz MCZRXAHSEVZXKX-NEPJUHHUSA-N 0 3 279.355 3.303 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C#N)CCc1ccccc1 ZINC000598421859 347658027 /nfs/dbraw/zinc/65/80/27/347658027.db2.gz NEROEZVNSNXGJH-OKZBNKHCSA-N 0 3 294.398 3.469 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(C2CC2)cc1F ZINC000598728538 347684154 /nfs/dbraw/zinc/68/41/54/347684154.db2.gz UNASSOCNYFFDIL-HNNXBMFYSA-N 0 3 290.382 3.093 20 30 CGEDHN CCC(C)(C)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598859649 347695855 /nfs/dbraw/zinc/69/58/55/347695855.db2.gz IEFPUVYYBHLWFW-XJKSGUPXSA-N 0 3 297.402 3.181 20 30 CGEDHN Cc1ccc(C(C)(C)CNCc2ccc(C#N)s2)nc1 ZINC000598990439 347704292 /nfs/dbraw/zinc/70/42/92/347704292.db2.gz DUNXCYUDFHPASY-UHFFFAOYSA-N 0 3 285.416 3.391 20 30 CGEDHN CC1(C)CCC[C@](CO)(NCc2ccc(C#N)cc2F)C1 ZINC000598995105 347704640 /nfs/dbraw/zinc/70/46/40/347704640.db2.gz QJCDSCSAMQCHLT-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CCCCO1 ZINC000599045585 347710298 /nfs/dbraw/zinc/71/02/98/347710298.db2.gz IFKVWZQGMIQLPG-XHDPSFHLSA-N 0 3 278.783 3.259 20 30 CGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@@H]1CCCCO1 ZINC000599052661 347710806 /nfs/dbraw/zinc/71/08/06/347710806.db2.gz CDRAMKYBGZSXBD-KGLIPLIRSA-N 0 3 250.386 3.008 20 30 CGEDHN C/C(=C\c1ccccc1)CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598612000 347671643 /nfs/dbraw/zinc/67/16/43/347671643.db2.gz YHIUHLPOBUHQIF-IUYQLWOBSA-N 0 3 286.419 3.322 20 30 CGEDHN C/C=C\C[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000599688976 347765926 /nfs/dbraw/zinc/76/59/26/347765926.db2.gz GYQVOIVGJDGYSZ-PYLYLYNFSA-N 0 3 255.365 3.131 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](C)C1(F)F ZINC000599513725 347749602 /nfs/dbraw/zinc/74/96/02/347749602.db2.gz SYRJIVXYRKULAI-VXGBXAGGSA-N 0 3 264.319 3.281 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000599526875 347750585 /nfs/dbraw/zinc/75/05/85/347750585.db2.gz VOFCHXPGXMCRJQ-GFCCVEGCSA-N 0 3 277.339 3.010 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000599530518 347751425 /nfs/dbraw/zinc/75/14/25/347751425.db2.gz ZJVGREVFNKUIOC-GFCCVEGCSA-N 0 3 276.336 3.001 20 30 CGEDHN C[C@H]1CC(F)(F)CCN1CCc1ccc(C#N)cc1 ZINC000599628454 347759604 /nfs/dbraw/zinc/75/96/04/347759604.db2.gz UEJNOHZEXFPSPW-LBPRGKRZSA-N 0 3 264.319 3.220 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC000600769874 347832997 /nfs/dbraw/zinc/83/29/97/347832997.db2.gz UHLFMNCDYORFOZ-GFCCVEGCSA-N 0 3 266.344 3.351 20 30 CGEDHN COc1cc(CN[C@H]2CCCc3ncccc32)ccc1C#N ZINC000601281585 347888087 /nfs/dbraw/zinc/88/80/87/347888087.db2.gz ZZFFYWZFARLEHF-KRWDZBQOSA-N 0 3 293.370 3.129 20 30 CGEDHN CC(C)(C#N)CCCCN1CCO[C@H](C(F)F)CC1 ZINC000601977782 347931211 /nfs/dbraw/zinc/93/12/11/347931211.db2.gz TZGJUYRYCBANLW-LBPRGKRZSA-N 0 3 274.355 3.062 20 30 CGEDHN C[C@H](CCc1ccco1)NCc1cccc(F)c1C#N ZINC000601999886 347932063 /nfs/dbraw/zinc/93/20/63/347932063.db2.gz XBGCKCUPNRIHPJ-GFCCVEGCSA-N 0 3 272.323 3.401 20 30 CGEDHN CC1(F)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000601868312 347920748 /nfs/dbraw/zinc/92/07/48/347920748.db2.gz JQUKGACTLGFTER-OAHLLOKOSA-N 0 3 288.366 3.110 20 30 CGEDHN CC[C@@H](C)[C@H](CN(C)Cc1cccc(C#N)c1)OC ZINC000602438796 347958116 /nfs/dbraw/zinc/95/81/16/347958116.db2.gz AOIBNSNKTWNXMI-CJNGLKHVSA-N 0 3 260.381 3.051 20 30 CGEDHN C[C@]1(c2ccccc2)CCN(Cc2cccc(C#N)n2)C1 ZINC000602477040 347965175 /nfs/dbraw/zinc/96/51/75/347965175.db2.gz OZBYGGHNSQVZHP-SFHVURJKSA-N 0 3 277.371 3.117 20 30 CGEDHN C[C@H](CCC#N)CNCc1cn2cc(Cl)ccc2n1 ZINC000602509919 347973031 /nfs/dbraw/zinc/97/30/31/347973031.db2.gz HSVMQLNGBCUOQY-LLVKDONJSA-N 0 3 276.771 3.017 20 30 CGEDHN Cc1cccc(C)c1OC[C@@H](C)NCc1cccc(C#N)n1 ZINC000602519890 347975263 /nfs/dbraw/zinc/97/52/63/347975263.db2.gz AOHNZXGSAGCPQD-OAHLLOKOSA-N 0 3 295.386 3.127 20 30 CGEDHN C[C@H](CCC#N)CN[C@@H]1COc2c1cccc2Cl ZINC000602567737 347984492 /nfs/dbraw/zinc/98/44/92/347984492.db2.gz GEWCCIYGXQSQCW-ZWNOBZJWSA-N 0 3 264.756 3.303 20 30 CGEDHN CCC[C@@H](CN[C@H](CCC#N)c1ccccc1)OC ZINC000602583593 347988767 /nfs/dbraw/zinc/98/87/67/347988767.db2.gz RUHZCSUCEJOHFT-JKSUJKDBSA-N 0 3 260.381 3.436 20 30 CGEDHN COc1c(C)cnc(CN(C)C[C@H](C)CCC#N)c1C ZINC000602607477 347992848 /nfs/dbraw/zinc/99/28/48/347992848.db2.gz LDDQJHQIUOXAEZ-GFCCVEGCSA-N 0 3 275.396 3.079 20 30 CGEDHN CC[C@@H](C)c1nnc([C@H](C)[NH2+]C2CCC(C#N)CC2)[n-]1 ZINC000602629467 347996745 /nfs/dbraw/zinc/99/67/45/347996745.db2.gz HSRIIUYEUPHKOQ-IALDZJHCSA-N 0 3 275.400 3.051 20 30 CGEDHN CC[C@@H](C)c1nnc([C@H](C)NC2CCC(C#N)CC2)[nH]1 ZINC000602629467 347996749 /nfs/dbraw/zinc/99/67/49/347996749.db2.gz HSRIIUYEUPHKOQ-IALDZJHCSA-N 0 3 275.400 3.051 20 30 CGEDHN CC(C)[C@H](CC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602626995 347996790 /nfs/dbraw/zinc/99/67/90/347996790.db2.gz OGQWCBZSAUBFJG-LBPRGKRZSA-N 0 3 271.286 3.020 20 30 CGEDHN CO[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)C1CCCC1 ZINC000602640219 347999154 /nfs/dbraw/zinc/99/91/54/347999154.db2.gz KYAOVKIVFJKWSI-QZTJIDSGSA-N 0 3 284.403 3.340 20 30 CGEDHN N#CC1(CN[C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602644645 347999883 /nfs/dbraw/zinc/99/98/83/347999883.db2.gz ZSOWPNNLRSLJRV-SJLPKXTDSA-N 0 3 295.430 3.248 20 30 CGEDHN N#CC1CCC(NCc2cccc3c2OC(F)(F)O3)CC1 ZINC000602723745 348017990 /nfs/dbraw/zinc/01/79/90/348017990.db2.gz SNTQYOORWPXRNL-UHFFFAOYSA-N 0 3 294.301 3.180 20 30 CGEDHN C[C@H](CCC#N)CN[C@@H](CF)c1ccc(F)cc1 ZINC000602750178 348022831 /nfs/dbraw/zinc/02/28/31/348022831.db2.gz FKKXEPSNRRPWDV-RISCZKNCSA-N 0 3 252.308 3.366 20 30 CGEDHN N#CCC1(CN2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000602773119 348026647 /nfs/dbraw/zinc/02/66/47/348026647.db2.gz QKZYOZJYCNDVOH-INIZCTEOSA-N 0 3 270.376 3.144 20 30 CGEDHN CC(C)(CO)[C@@H](NCC1(CC#N)CC1)c1cccs1 ZINC000602834136 348034790 /nfs/dbraw/zinc/03/47/90/348034790.db2.gz QSYHEMVOHRUQFT-ZDUSSCGKSA-N 0 3 278.421 3.091 20 30 CGEDHN COc1cccc([C@]2(C)CCN(CC3(CC#N)CC3)C2)c1 ZINC000602897889 348041694 /nfs/dbraw/zinc/04/16/94/348041694.db2.gz UHKOBVIJSYKYQB-QGZVFWFLSA-N 0 3 284.403 3.352 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3ccc(F)cn3)CC2)C1 ZINC000602902963 348041842 /nfs/dbraw/zinc/04/18/42/348041842.db2.gz HJYUIADNCRKYAG-IUODEOHRSA-N 0 3 273.355 3.092 20 30 CGEDHN CC1(C)CC[C@@H](CN2CCC(c3ccc(C#N)cn3)CC2)O1 ZINC000602906961 348042572 /nfs/dbraw/zinc/04/25/72/348042572.db2.gz JDCNFOPMJJPLNO-INIZCTEOSA-N 0 3 299.418 3.090 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](C(C)C)CC1 ZINC000604055207 348108644 /nfs/dbraw/zinc/10/86/44/348108644.db2.gz VFINHNDBBJLXHR-INIZCTEOSA-N 0 3 280.456 3.169 20 30 CGEDHN CCN(Cc1cccc(C#N)c1F)[C@@H]1CCOC(C)(C)C1 ZINC000351926269 219249035 /nfs/dbraw/zinc/24/90/35/219249035.db2.gz NXNUPLQMCGHSAM-OAHLLOKOSA-N 0 3 290.382 3.477 20 30 CGEDHN CC#CCN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000607735550 348260393 /nfs/dbraw/zinc/26/03/93/348260393.db2.gz LBRJBXQNDIYYAU-UHFFFAOYSA-N 0 3 292.220 3.436 20 30 CGEDHN N#Cc1ccc(CN2CC(Cc3ccccc3)C2)cc1 ZINC000611178173 348426495 /nfs/dbraw/zinc/42/64/95/348426495.db2.gz VXHIBYGXARWRRJ-UHFFFAOYSA-N 0 3 262.356 3.233 20 30 CGEDHN Cc1cc(C)cc([C@H](C)NCc2ccnc(C#N)c2)c1 ZINC000611392956 348445309 /nfs/dbraw/zinc/44/53/09/348445309.db2.gz ZHJPWWQUUNBRRW-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN Cc1csc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000611465473 348453792 /nfs/dbraw/zinc/45/37/92/348453792.db2.gz VCEJBAXYLNONHN-NSHDSACASA-N 0 3 289.379 3.356 20 30 CGEDHN C[C@@H](NCCOCC1CCC1)c1ccc(C#N)c(F)c1 ZINC000613242613 348579302 /nfs/dbraw/zinc/57/93/02/348579302.db2.gz TURIIHQYTFNAEQ-GFCCVEGCSA-N 0 3 276.355 3.165 20 30 CGEDHN Cn1cc(C(C)(C)NCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000614184950 348656709 /nfs/dbraw/zinc/65/67/09/348656709.db2.gz VMHFSZFARCRYAJ-UHFFFAOYSA-N 0 3 296.418 3.246 20 30 CGEDHN C[C@H](Cc1ccccc1)CN1CCC[C@@](C)(C#N)C1 ZINC000614247868 348662245 /nfs/dbraw/zinc/66/22/45/348662245.db2.gz MIGCHBHKLLXBLL-WBVHZDCISA-N 0 3 256.393 3.491 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc3cccnc3c2)C1 ZINC000613661469 348625976 /nfs/dbraw/zinc/62/59/76/348625976.db2.gz PQRKUHQHZBBVIW-WFASDCNBSA-N 0 3 251.333 3.017 20 30 CGEDHN Cc1cc(C#N)ccc1CN(CCCO)Cc1ccccc1 ZINC000614402775 348673859 /nfs/dbraw/zinc/67/38/59/348673859.db2.gz QJSOVWUDNYRSQU-UHFFFAOYSA-N 0 3 294.398 3.251 20 30 CGEDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000614402384 348673950 /nfs/dbraw/zinc/67/39/50/348673950.db2.gz CBNNVWONZLFAAP-SFHVURJKSA-N 0 3 294.402 3.246 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC([C@H]2CCOC2)CC1 ZINC000614963582 348703887 /nfs/dbraw/zinc/70/38/87/348703887.db2.gz IBCZGGJUGCZHTF-KDOFPFPSSA-N 0 3 284.403 3.368 20 30 CGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(C#N)cc1F ZINC000358560244 233156033 /nfs/dbraw/zinc/15/60/33/233156033.db2.gz QNVVQTBGLOPNGS-CEFQPYBMSA-N 0 3 288.366 3.161 20 30 CGEDHN C[C@@H](O)CC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358575412 233158118 /nfs/dbraw/zinc/15/81/18/233158118.db2.gz SPHPZDMJOASDRD-NEPJUHHUSA-N 0 3 278.371 3.145 20 30 CGEDHN CCC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000618565218 349106770 /nfs/dbraw/zinc/10/67/70/349106770.db2.gz HPCMMLZAWMYFEO-UKRRQHHQSA-N 0 3 285.391 3.207 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3cc(O)ccc3C2)c(F)c1 ZINC000618197911 349061464 /nfs/dbraw/zinc/06/14/64/349061464.db2.gz WBHHLDKXIHQIRL-MRXNPFEDSA-N 0 3 296.345 3.050 20 30 CGEDHN CC[C@H](C)c1nc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000618578066 349110311 /nfs/dbraw/zinc/11/03/11/349110311.db2.gz YATMURZJVFYIPF-ZDEQEGDKSA-N 0 3 275.400 3.051 20 30 CGEDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(C#N)c(C)c1 ZINC000618594270 349115745 /nfs/dbraw/zinc/11/57/45/349115745.db2.gz YSHTZZIOLYQMQB-GOSISDBHSA-N 0 3 294.402 3.246 20 30 CGEDHN Cc1cc(CN2CCc3ccc(O)cc3CC2)ccc1C#N ZINC000618593917 349115753 /nfs/dbraw/zinc/11/57/53/349115753.db2.gz URTQUFOBWXVCLK-UHFFFAOYSA-N 0 3 292.382 3.173 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(F)c1 ZINC000618741557 349151651 /nfs/dbraw/zinc/15/16/51/349151651.db2.gz HCIKEJYNUILLNA-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618741811 349151834 /nfs/dbraw/zinc/15/18/34/349151834.db2.gz IIOWFYYGZGWXNO-GOSISDBHSA-N 0 3 273.339 3.207 20 30 CGEDHN C=CCC1(NC(=O)[C@@H](CC)N(CC)CC)CCCC1 ZINC000619108608 349204586 /nfs/dbraw/zinc/20/45/86/349204586.db2.gz YTCBMYRNNGMBEX-CQSZACIVSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCOCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508555 349254609 /nfs/dbraw/zinc/25/46/09/349254609.db2.gz LKYZZJYFZNOVJS-KRWDZBQOSA-N 0 3 270.376 3.118 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000620861505 349431044 /nfs/dbraw/zinc/43/10/44/349431044.db2.gz SIDIBKBYHKPOPL-MJBXVCDLSA-N 0 3 266.429 3.109 20 30 CGEDHN C=CC[C@H]1N(Cc2cncc(OC)n2)CCCC1(C)C ZINC000625375307 350164977 /nfs/dbraw/zinc/16/49/77/350164977.db2.gz NMFMJSWBHQYPDD-CQSZACIVSA-N 0 3 275.396 3.052 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657544 350193483 /nfs/dbraw/zinc/19/34/83/350193483.db2.gz VSSCGCWZROJHRT-XJKSGUPXSA-N 0 3 281.346 3.081 20 30 CGEDHN C=CC[C@H]1CCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000625701162 350198562 /nfs/dbraw/zinc/19/85/62/350198562.db2.gz HONAWHGKTCILKD-AWEZNQCLSA-N 0 3 260.381 3.105 20 30 CGEDHN C=CCN(Cc1cc(CO)ccc1F)C(C)(C)C ZINC000625538043 350183439 /nfs/dbraw/zinc/18/34/39/350183439.db2.gz BHJXLNRVJDNUDB-UHFFFAOYSA-N 0 3 251.345 3.105 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cocc1C)C(C)C ZINC000625557277 350184180 /nfs/dbraw/zinc/18/41/80/350184180.db2.gz OCKVOPFCXKXYEW-INIZCTEOSA-N 0 3 290.407 3.016 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000625705663 350200984 /nfs/dbraw/zinc/20/09/84/350200984.db2.gz WZIPDBIHVWPGGO-BEFAXECRSA-N 0 3 298.430 3.152 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC#Cc1ccccc1Cl ZINC000625976186 350238835 /nfs/dbraw/zinc/23/88/35/350238835.db2.gz SPTVGHAJRWBXRZ-JFILPPLUSA-N 0 3 277.795 3.093 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1cc(C)ccc1C ZINC000626019403 350248911 /nfs/dbraw/zinc/24/89/11/350248911.db2.gz XYRHKPLLTPWQMX-GDBMZVCRSA-N 0 3 274.408 3.035 20 30 CGEDHN C=CCN(Cc1ccc(OCc2nccn2C)cc1)C1CC1 ZINC000271533896 191198203 /nfs/dbraw/zinc/19/82/03/191198203.db2.gz XYAZQCINFYVMRS-UHFFFAOYSA-N 0 3 297.402 3.150 20 30 CGEDHN C#CCCCCN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271548013 191206283 /nfs/dbraw/zinc/20/62/83/191206283.db2.gz VIBZWAMZCJSYGE-OAHLLOKOSA-N 0 3 296.418 3.338 20 30 CGEDHN CC#CCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000155069397 188180469 /nfs/dbraw/zinc/18/04/69/188180469.db2.gz BPFWUBFDIKBYPJ-HNNXBMFYSA-N 0 3 271.360 3.008 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2C(F)(F)F)C1 ZINC000349823904 283067209 /nfs/dbraw/zinc/06/72/09/283067209.db2.gz XDKSMNZGCPQDHD-CMPLNLGQSA-N 0 3 268.282 3.487 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H](O)c1cccc(F)c1 ZINC000271886227 191389229 /nfs/dbraw/zinc/38/92/29/191389229.db2.gz QQSMSLMSDHUSAJ-VEVIJQCQSA-N 0 3 298.361 3.470 20 30 CGEDHN C[C@H](NC[C@](C)(O)c1cccs1)c1cccc(C#N)c1 ZINC000271852778 191368278 /nfs/dbraw/zinc/36/82/78/191368278.db2.gz IVANBXBJSPPFGA-LRDDRELGSA-N 0 3 286.400 3.178 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1c1ccco1)CC2 ZINC000414344985 235393277 /nfs/dbraw/zinc/39/32/77/235393277.db2.gz KUPOOJKXTXUWQN-BZUAXINKSA-N 0 3 264.328 3.284 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]1c1ccco1)CC2 ZINC000414344992 235393318 /nfs/dbraw/zinc/39/33/18/235393318.db2.gz KUPOOJKXTXUWQN-OWCLPIDISA-N 0 3 264.328 3.284 20 30 CGEDHN Cc1csc([C@H](C)CNCc2ccc(C#N)cc2F)n1 ZINC000273537208 192192505 /nfs/dbraw/zinc/19/25/05/192192505.db2.gz WJRIMHUDTQYYBX-SNVBAGLBSA-N 0 3 289.379 3.356 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000349355060 283193827 /nfs/dbraw/zinc/19/38/27/283193827.db2.gz NNYOEIHHUMFPFC-QRTARXTBSA-N 0 3 265.360 3.218 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccsc1)CC2 ZINC000335764384 283196761 /nfs/dbraw/zinc/19/67/61/283196761.db2.gz PFOYFNHIRPMRLQ-HNNXBMFYSA-N 0 3 254.358 3.397 20 30 CGEDHN CCCN(CCN1CCCCCC1)C(=O)CC(C)(C)C#N ZINC000345334499 283252672 /nfs/dbraw/zinc/25/26/72/283252672.db2.gz ZMBCEKTYPQHAGX-UHFFFAOYSA-N 0 3 293.455 3.041 20 30 CGEDHN C=CCCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177086858 189027298 /nfs/dbraw/zinc/02/72/98/189027298.db2.gz SJZLHTZPHVYJMA-UHFFFAOYSA-N 0 3 275.308 3.134 20 30 CGEDHN Clc1ccc(C#CCN(C[C@H]2CCOC2)C2CC2)cc1 ZINC000177028129 189021829 /nfs/dbraw/zinc/02/18/29/189021829.db2.gz IBACKKGBNKETGC-OAHLLOKOSA-N 0 3 289.806 3.192 20 30 CGEDHN CCCC[C@H](COC)N[C@@H](C)c1cccc(C#N)c1 ZINC000178178408 189095628 /nfs/dbraw/zinc/09/56/28/189095628.db2.gz VCHINJWUUQROTB-XJKSGUPXSA-N 0 3 260.381 3.414 20 30 CGEDHN C#CCCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000179717348 189215805 /nfs/dbraw/zinc/21/58/05/189215805.db2.gz LYVHHJVVMCJUKR-SFHVURJKSA-N 0 3 298.430 3.133 20 30 CGEDHN C[C@@H](NC[C@H](O)C1CCCCC1)c1cccc(C#N)c1 ZINC000181674571 189303685 /nfs/dbraw/zinc/30/36/85/189303685.db2.gz IOTSVBVEBRKSPW-DYVFJYSZSA-N 0 3 272.392 3.150 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000181844053 189308044 /nfs/dbraw/zinc/30/80/44/189308044.db2.gz HOPQISNKSYADKJ-DOMZBBRYSA-N 0 3 260.381 3.270 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000120215253 370748468 /nfs/dbraw/zinc/74/84/68/370748468.db2.gz XDPQLCWGBCDOEG-OKILXGFUSA-N 0 3 292.448 3.136 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C1(C)C ZINC000120625644 370787486 /nfs/dbraw/zinc/78/74/86/370787486.db2.gz FHKLLGNBKKNRLR-JKSUJKDBSA-N 0 3 272.392 3.194 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCCOCC1CCCC1)CC2 ZINC000453388900 240903030 /nfs/dbraw/zinc/90/30/30/240903030.db2.gz GCPPMYWCCRUHPB-GOSISDBHSA-N 0 3 284.403 3.342 20 30 CGEDHN C=CCCCN(C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000121109403 370829225 /nfs/dbraw/zinc/82/92/25/370829225.db2.gz BBAUQAZQEWYDSQ-NSHDSACASA-N 0 3 251.326 3.025 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2OC(F)F)c(F)c1 ZINC000337286076 376191987 /nfs/dbraw/zinc/19/19/87/376191987.db2.gz KJFUFDMDVHVVDK-UONOGXRCSA-N 0 3 298.308 3.337 20 30 CGEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2Cl)C12CCC2 ZINC000459774461 242224809 /nfs/dbraw/zinc/22/48/09/242224809.db2.gz UDXDHSLDKQAZBZ-LSDHHAIUSA-N 0 3 290.794 3.259 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1CC#Cc1ccccc1 ZINC000124302841 370923475 /nfs/dbraw/zinc/92/34/75/370923475.db2.gz YJBPCLOUDRIIGR-SJLPKXTDSA-N 0 3 271.404 3.054 20 30 CGEDHN CC(C)N(CCOc1cccc(C#N)c1)Cc1cccnc1 ZINC000125668367 370939941 /nfs/dbraw/zinc/93/99/41/370939941.db2.gz KEUKKSXYELZEFV-UHFFFAOYSA-N 0 3 295.386 3.243 20 30 CGEDHN N#Cc1ccc(CNCCc2cccc(F)c2)c(F)c1 ZINC000036779595 369027307 /nfs/dbraw/zinc/02/73/07/369027307.db2.gz LQLZPCSEKOCPIA-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000037219367 369076401 /nfs/dbraw/zinc/07/64/01/369076401.db2.gz ZMTBKDRUUYOZPE-LBPRGKRZSA-N 0 3 280.327 3.138 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3ncccc3c2)cc1 ZINC000037505844 369088019 /nfs/dbraw/zinc/08/80/19/369088019.db2.gz YDDXLWSCNGLIOU-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN C[C@H](NC[C@@H]1Cc2ccccc2O1)c1cccc(C#N)c1 ZINC000038009700 369139269 /nfs/dbraw/zinc/13/92/69/369139269.db2.gz WVHJEINHSDVASI-GUYCJALGSA-N 0 3 278.355 3.213 20 30 CGEDHN N#Cc1ccc([C@@H](O)CN(Cc2cccs2)C2CC2)cc1 ZINC000049024117 369382401 /nfs/dbraw/zinc/38/24/01/369382401.db2.gz AYVKTHHQTDBXHC-KRWDZBQOSA-N 0 3 298.411 3.318 20 30 CGEDHN N#Cc1ccc(CNCc2ccccc2-n2cccn2)cc1 ZINC000128910657 370967714 /nfs/dbraw/zinc/96/77/14/370967714.db2.gz XWXJSFZEHGDNCJ-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN C=CCN(CCc1ccnn1CC)Cc1ccc(OC)cc1 ZINC000276337297 193292088 /nfs/dbraw/zinc/29/20/88/193292088.db2.gz SJWUABDPFUHOJG-UHFFFAOYSA-N 0 3 299.418 3.142 20 30 CGEDHN CC1CCN(CCNc2ccc(C#N)c(Cl)c2)CC1 ZINC000061846259 369608448 /nfs/dbraw/zinc/60/84/48/369608448.db2.gz AEZOOUAVOTYOJX-UHFFFAOYSA-N 0 3 277.799 3.355 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062016460 369613804 /nfs/dbraw/zinc/61/38/04/369613804.db2.gz CJXJQBLKQSPISD-ZJUUUORDSA-N 0 3 250.729 3.019 20 30 CGEDHN C=CCC[C@@H](NCCCn1cccn1)c1ccco1 ZINC000276477511 193348036 /nfs/dbraw/zinc/34/80/36/193348036.db2.gz RBIKDAHROGVJDB-CQSZACIVSA-N 0 3 259.353 3.163 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000079071908 369962228 /nfs/dbraw/zinc/96/22/28/369962228.db2.gz TVYHWWLYKDKFCK-ZDUSSCGKSA-N 0 3 296.370 3.426 20 30 CGEDHN CC(C)OC(=O)CCN(Cc1ccc(C#N)cc1)C(C)C ZINC000075674580 369915817 /nfs/dbraw/zinc/91/58/17/369915817.db2.gz VYDYDQUNKVARAE-UHFFFAOYSA-N 0 3 288.391 3.110 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2nc(C)sc21 ZINC000090883653 370070107 /nfs/dbraw/zinc/07/01/07/370070107.db2.gz FPGKBUVWWOUXMO-GFCCVEGCSA-N 0 3 266.410 3.011 20 30 CGEDHN CCCO[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000093317632 370119076 /nfs/dbraw/zinc/11/90/76/370119076.db2.gz AATRQFNUBNJRDC-AWEZNQCLSA-N 0 3 278.421 3.401 20 30 CGEDHN CSCC[C@H](C)N(C)Cc1cc(C#N)cs1 ZINC000093558947 370140463 /nfs/dbraw/zinc/14/04/63/370140463.db2.gz XYVBKCHDZLGBKR-JTQLQIEISA-N 0 3 254.424 3.193 20 30 CGEDHN CC[C@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000130396693 371029698 /nfs/dbraw/zinc/02/96/98/371029698.db2.gz XDNUTHWSNUUICP-HNNXBMFYSA-N 0 3 258.365 3.331 20 30 CGEDHN Clc1ccc(C#CCN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000464899063 261248409 /nfs/dbraw/zinc/24/84/09/261248409.db2.gz SAXLZHRDXJBVMV-HUUCEWRRSA-N 0 3 259.780 3.423 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000131466086 371109230 /nfs/dbraw/zinc/10/92/30/371109230.db2.gz NRPBBBFCCHDOPW-CQSZACIVSA-N 0 3 286.375 3.492 20 30 CGEDHN C=CCCN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000132385312 371171811 /nfs/dbraw/zinc/17/18/11/371171811.db2.gz RMOISGYFLAEGTD-HNNXBMFYSA-N 0 3 261.365 3.417 20 30 CGEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)cc1 ZINC000134227150 371313859 /nfs/dbraw/zinc/31/38/59/371313859.db2.gz DIUDSWGKOGLAOG-KUHUBIRLSA-N 0 3 292.382 3.382 20 30 CGEDHN CN(CCOCC1CC1)Cc1ccccc1C(C)(C)C#N ZINC000135284279 371410818 /nfs/dbraw/zinc/41/08/18/371410818.db2.gz HVCULRZIGIPZPX-UHFFFAOYSA-N 0 3 286.419 3.346 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)C[C@H]1CC=CCC1 ZINC000344030567 217016825 /nfs/dbraw/zinc/01/68/25/217016825.db2.gz BYEZTJLMQSANDO-AWEZNQCLSA-N 0 3 270.376 3.355 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000150883740 371545765 /nfs/dbraw/zinc/54/57/65/371545765.db2.gz AUGVEZTVIVKNLB-UHFFFAOYSA-N 0 3 299.418 3.181 20 30 CGEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C#N)s1 ZINC000151902636 371649317 /nfs/dbraw/zinc/64/93/17/371649317.db2.gz ZIPXAGCRZICLNM-OAHLLOKOSA-N 0 3 284.384 3.405 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000152757891 371721597 /nfs/dbraw/zinc/72/15/97/371721597.db2.gz CLNPXMIZDKNZHR-GFCCVEGCSA-N 0 3 285.343 3.397 20 30 CGEDHN C=CCOc1cccc(CN[C@H](C)[C@H](O)c2ccccc2)c1 ZINC000288656619 371743652 /nfs/dbraw/zinc/74/36/52/371743652.db2.gz VMMYAOYENYDZAF-BEFAXECRSA-N 0 3 297.398 3.463 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](C3CC3)C2)c1F ZINC000344134812 217066603 /nfs/dbraw/zinc/06/66/03/217066603.db2.gz ZPTRLSXZWZEWFD-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN CC#CCCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000157583980 372028211 /nfs/dbraw/zinc/02/82/11/372028211.db2.gz WQLBMOHKQKOSNE-UHFFFAOYSA-N 0 3 286.202 3.201 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000424750221 372097577 /nfs/dbraw/zinc/09/75/77/372097577.db2.gz KLOGMSXTXKIPHC-JKSUJKDBSA-N 0 3 286.419 3.150 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000424771369 372099611 /nfs/dbraw/zinc/09/96/11/372099611.db2.gz CNJKQEREQYIAEZ-GDBMZVCRSA-N 0 3 288.435 3.396 20 30 CGEDHN CCC(CC)CN(CCC#N)CC(C)(C)COC ZINC000426399552 372157826 /nfs/dbraw/zinc/15/78/26/372157826.db2.gz AMLIIUKZAGYZSV-UHFFFAOYSA-N 0 3 254.418 3.311 20 30 CGEDHN C=CC[C@@H]1N(Cc2n[nH]c(C(C)C)n2)CCCC1(C)C ZINC000428976703 372296574 /nfs/dbraw/zinc/29/65/74/372296574.db2.gz JQYMTZIOIFQGHI-ZDUSSCGKSA-N 0 3 276.428 3.495 20 30 CGEDHN C=CCCC[C@H](C)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428695350 372252634 /nfs/dbraw/zinc/25/26/34/372252634.db2.gz WHWRROINIPRABN-HNNXBMFYSA-N 0 3 299.480 3.022 20 30 CGEDHN N#CC(C(=O)c1cnc2c(F)cccc2c1)c1ccccn1 ZINC000429686905 372375458 /nfs/dbraw/zinc/37/54/58/372375458.db2.gz QAQDTDCXSYZNFT-CYBMUJFWSA-N 0 3 291.285 3.259 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000429715220 372376948 /nfs/dbraw/zinc/37/69/48/372376948.db2.gz HUMZJVVBDHUGTF-CQSZACIVSA-N 0 3 293.455 3.473 20 30 CGEDHN CC1(C)Cc2cccc(CNCC3(CC#N)CC3)c2O1 ZINC000430041344 372381703 /nfs/dbraw/zinc/38/17/03/372381703.db2.gz MLOUSTQYHOCFIS-UHFFFAOYSA-N 0 3 270.376 3.184 20 30 CGEDHN COc1cc(CNCC2(CC#N)CC2)cc(Cl)c1OC ZINC000430041003 372381858 /nfs/dbraw/zinc/38/18/58/372381858.db2.gz LBPDMWULKQSEER-UHFFFAOYSA-N 0 3 294.782 3.141 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc(OC)cc1 ZINC000430746353 372393743 /nfs/dbraw/zinc/39/37/43/372393743.db2.gz PWHOYXGKCHMDDJ-HNNXBMFYSA-N 0 3 258.365 3.430 20 30 CGEDHN Cc1c([C@H](C)NCC2(CC#N)CC2)cnn1C(C)C ZINC000430732545 372394530 /nfs/dbraw/zinc/39/45/30/372394530.db2.gz BLWRUFFZJNMTLE-LBPRGKRZSA-N 0 3 260.385 3.117 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293708377 372457391 /nfs/dbraw/zinc/45/73/91/372457391.db2.gz MPUDBDBRIQKEOH-CQSZACIVSA-N 0 3 288.370 3.225 20 30 CGEDHN Cc1ccccc1[C@@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000431423947 372470963 /nfs/dbraw/zinc/47/09/63/372470963.db2.gz WVYBOLWWFBIICR-GXTWGEPZSA-N 0 3 258.365 3.358 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000432071620 372533920 /nfs/dbraw/zinc/53/39/20/372533920.db2.gz KUXOYXSUSRBUEM-CABCVRRESA-N 0 3 295.471 3.008 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000433110303 372581894 /nfs/dbraw/zinc/58/18/94/372581894.db2.gz ABWDQZVIIPGZHR-HOCLYGCPSA-N 0 3 293.370 3.031 20 30 CGEDHN Cc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433237032 372583397 /nfs/dbraw/zinc/58/33/97/372583397.db2.gz ZQASTXDBJVWPSY-SFHVURJKSA-N 0 3 292.382 3.384 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccsc1 ZINC000433225350 372584098 /nfs/dbraw/zinc/58/40/98/372584098.db2.gz IAYMQTWEFTWGRJ-HNNXBMFYSA-N 0 3 284.384 3.137 20 30 CGEDHN CN(C(=O)C(C#N)CCc1ccccc1)C(C1CC1)C1CC1 ZINC000433341829 372596032 /nfs/dbraw/zinc/59/60/32/372596032.db2.gz IWUXHUDOJKOSBL-QGZVFWFLSA-N 0 3 296.414 3.406 20 30 CGEDHN CCc1cncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000434621255 372694828 /nfs/dbraw/zinc/69/48/28/372694828.db2.gz QVAZMAYUOTWJBM-CYBMUJFWSA-N 0 3 290.326 3.010 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434898078 372715656 /nfs/dbraw/zinc/71/56/56/372715656.db2.gz AXLRFYZQGFOFNU-WMZOPIPTSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc(-c2ccccc2)c[nH]1 ZINC000435736723 372799374 /nfs/dbraw/zinc/79/93/74/372799374.db2.gz YMYNDAPKIVWIRQ-CRAIPNDOSA-N 0 3 297.402 3.148 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccccc1Cl ZINC000435736012 372799418 /nfs/dbraw/zinc/79/94/18/372799418.db2.gz SJKQTPOLQCDBSG-HIFRSBDPSA-N 0 3 265.784 3.411 20 30 CGEDHN CC[C@H](NCc1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC000344758454 217301151 /nfs/dbraw/zinc/30/11/51/217301151.db2.gz JXELZXXHGKWPAV-INIZCTEOSA-N 0 3 282.391 3.150 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](O)CC(C)(C)C1 ZINC000296080247 373017077 /nfs/dbraw/zinc/01/70/77/373017077.db2.gz PFXKSPSWXIZGMY-BBRMVZONSA-N 0 3 272.392 3.102 20 30 CGEDHN COc1cc(CN(C)CCc2ccc(F)cc2)ccc1C#N ZINC000442796649 373086757 /nfs/dbraw/zinc/08/67/57/373086757.db2.gz GICPZVJSCIHNAL-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN C=C(C)CCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296313306 373087092 /nfs/dbraw/zinc/08/70/92/373087092.db2.gz OJHQRAQTYCZZIY-AWEZNQCLSA-N 0 3 253.773 3.271 20 30 CGEDHN Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[C@H](C#N)C2)n1 ZINC000442794961 373087266 /nfs/dbraw/zinc/08/72/66/373087266.db2.gz QZWOWJUSGKYAQF-RDJZCZTQSA-N 0 3 294.402 3.271 20 30 CGEDHN CC(C)(C)Oc1ccc(CN[C@H]2CC[C@H](C#N)C2)cn1 ZINC000442830515 373098795 /nfs/dbraw/zinc/09/87/95/373098795.db2.gz SQCXVZJDHHVJLS-JSGCOSHPSA-N 0 3 273.380 3.041 20 30 CGEDHN Cc1cccc2c1OCC[C@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000442857530 373108052 /nfs/dbraw/zinc/10/80/52/373108052.db2.gz PTECNQBERGATLM-VNHYZAJKSA-N 0 3 256.349 3.101 20 30 CGEDHN C=CC[C@H]1N(Cc2cnc(C)cn2)CCCC1(C)C ZINC000444772523 373266594 /nfs/dbraw/zinc/26/65/94/373266594.db2.gz ASJSSTNCOHSKOL-OAHLLOKOSA-N 0 3 259.397 3.352 20 30 CGEDHN CC(C)c1nc(CCNCc2ccc(C#N)o2)cs1 ZINC000174336306 373295164 /nfs/dbraw/zinc/29/51/64/373295164.db2.gz LXSXQZJPSJHICJ-UHFFFAOYSA-N 0 3 275.377 3.063 20 30 CGEDHN Cc1cc(CN2CCN(C)Cc3ccccc32)ccc1C#N ZINC000353589563 220175879 /nfs/dbraw/zinc/17/58/79/220175879.db2.gz QKCHGCLJMBBAFN-UHFFFAOYSA-N 0 3 291.398 3.319 20 30 CGEDHN CC(C)[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000446733768 373352124 /nfs/dbraw/zinc/35/21/24/373352124.db2.gz ABWLJNIJXCARMS-AWEZNQCLSA-N 0 3 267.376 3.289 20 30 CGEDHN C=CC[C@@H]1N(Cc2ccnn2CC)CCCC1(C)C ZINC000446826796 373366741 /nfs/dbraw/zinc/36/67/41/373366741.db2.gz KOAMQSHWRRDHQF-HNNXBMFYSA-N 0 3 261.413 3.470 20 30 CGEDHN CC#CCCN1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447389956 373430331 /nfs/dbraw/zinc/43/03/31/373430331.db2.gz BZZHTLCVSDDNJN-INIZCTEOSA-N 0 3 293.414 3.159 20 30 CGEDHN N#Cc1cccc(CN2CCCN(c3ccccc3)CC2)c1 ZINC000298727729 373392958 /nfs/dbraw/zinc/39/29/58/373392958.db2.gz MLICKURCMBCTQK-UHFFFAOYSA-N 0 3 291.398 3.271 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000447837562 373505183 /nfs/dbraw/zinc/50/51/83/373505183.db2.gz VPVCWHRNNXNTPF-RHSMWYFYSA-N 0 3 291.822 3.317 20 30 CGEDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000175870185 373531164 /nfs/dbraw/zinc/53/11/64/373531164.db2.gz WQYDRIJJEKMSMW-UONOGXRCSA-N 0 3 264.394 3.305 20 30 CGEDHN C=CCN(CC=C)[C@H](CNCc1ncc(C)s1)C(C)C ZINC000449073581 373658468 /nfs/dbraw/zinc/65/84/68/373658468.db2.gz JKSCHOYGNKZBJB-OAHLLOKOSA-N 0 3 293.480 3.240 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1)c1ccccc1 ZINC000301087348 373654586 /nfs/dbraw/zinc/65/45/86/373654586.db2.gz LVUVKSKAZKVXLA-KRWDZBQOSA-N 0 3 265.360 3.273 20 30 CGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000301160971 373678946 /nfs/dbraw/zinc/67/89/46/373678946.db2.gz TVGGBZFCIFUCKN-INIZCTEOSA-N 0 3 297.377 3.282 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(CF)CC1 ZINC000449463677 373747116 /nfs/dbraw/zinc/74/71/16/373747116.db2.gz XFFMQCOVEXYKQC-UHFFFAOYSA-N 0 3 263.356 3.433 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000178887952 373815279 /nfs/dbraw/zinc/81/52/79/373815279.db2.gz SQTYKXFWTYQXMI-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449706795 373849341 /nfs/dbraw/zinc/84/93/41/373849341.db2.gz BUNXLVFDNHOOEU-CYBMUJFWSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000179719994 373909002 /nfs/dbraw/zinc/90/90/02/373909002.db2.gz KTIFTUKMKBLVLI-HNNXBMFYSA-N 0 3 294.826 3.319 20 30 CGEDHN COc1cc(F)cc(C[C@H](C)NCc2ccc(C#N)o2)c1 ZINC000449780878 373910573 /nfs/dbraw/zinc/91/05/73/373910573.db2.gz GUFCDRSRIQRABO-NSHDSACASA-N 0 3 288.322 3.020 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CCCC1 ZINC000449814094 373933907 /nfs/dbraw/zinc/93/39/07/373933907.db2.gz JNCAVUBRWFGPOC-MRXNPFEDSA-N 0 3 290.451 3.210 20 30 CGEDHN C=CCN(CCc1cscn1)Cc1cccs1 ZINC000450221309 374006965 /nfs/dbraw/zinc/00/69/65/374006965.db2.gz QPYFLHFRQXDWFP-UHFFFAOYSA-N 0 3 264.419 3.435 20 30 CGEDHN C[C@H](c1ccccc1)[C@@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000450229030 374010789 /nfs/dbraw/zinc/01/07/89/374010789.db2.gz VYNXEVFYTNFMGZ-BEFAXECRSA-N 0 3 294.398 3.155 20 30 CGEDHN CCC(CC)[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305824264 374117544 /nfs/dbraw/zinc/11/75/44/374117544.db2.gz QJBGGTNIDZCZFD-MEDUHNTESA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000181214410 374094987 /nfs/dbraw/zinc/09/49/87/374094987.db2.gz PRDPLQIXPJRMQX-JSGCOSHPSA-N 0 3 297.320 3.072 20 30 CGEDHN C[C@H](N[C@@H]1COc2ccccc2C1)c1cccc(C#N)c1 ZINC000181622303 374147914 /nfs/dbraw/zinc/14/79/14/374147914.db2.gz QJUFOODMKTXFJI-GUYCJALGSA-N 0 3 278.355 3.213 20 30 CGEDHN Cc1ccc2nccc(N[C@H]3CC[C@@H](CC#N)C3)c2c1 ZINC000450671006 374169306 /nfs/dbraw/zinc/16/93/06/374169306.db2.gz GZKPUDNTKRTSKF-KBPBESRZSA-N 0 3 265.360 3.459 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000182169842 374228867 /nfs/dbraw/zinc/22/88/67/374228867.db2.gz FIYKGSDXPHCGIF-OAHLLOKOSA-N 0 3 279.355 3.222 20 30 CGEDHN N#Cc1c(F)cccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309545617 374188441 /nfs/dbraw/zinc/18/84/41/374188441.db2.gz PDPMCDHICFNHQL-HNNXBMFYSA-N 0 3 295.361 3.384 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](C(=O)N(C)C)c1ccccc1 ZINC000182344177 374262058 /nfs/dbraw/zinc/26/20/58/374262058.db2.gz IPAJIEYASXNMJP-ZBFHGGJFSA-N 0 3 274.408 3.150 20 30 CGEDHN C[C@H](NC[C@H]1COc2ccccc2O1)c1cccc(C#N)c1 ZINC000315507215 374328715 /nfs/dbraw/zinc/32/87/15/374328715.db2.gz SMPRNLDWZJTNMB-BBRMVZONSA-N 0 3 294.354 3.049 20 30 CGEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1C#N ZINC000318922100 374343870 /nfs/dbraw/zinc/34/38/70/374343870.db2.gz XNUVAGGUXHVBPX-CYBMUJFWSA-N 0 3 291.354 3.289 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000328625289 374370207 /nfs/dbraw/zinc/37/02/07/374370207.db2.gz KQBUEYSMGXBQQE-RHSMWYFYSA-N 0 3 282.343 3.019 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCOCC2(CCC2)C1 ZINC000334140418 206049343 /nfs/dbraw/zinc/04/93/43/206049343.db2.gz GCQSJPJCTVEKMO-AWEZNQCLSA-N 0 3 270.376 3.122 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H](C)C1 ZINC000185261453 374624234 /nfs/dbraw/zinc/62/42/34/374624234.db2.gz HEEJIYMDXTXATD-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CC[C@H](CO)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000186712681 374904136 /nfs/dbraw/zinc/90/41/36/374904136.db2.gz SOJQPLCNVZALBI-YPMHNXCESA-N 0 3 283.824 3.404 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000186717613 374906145 /nfs/dbraw/zinc/90/61/45/374906145.db2.gz JLXNCKRIRQGNPA-VXGBXAGGSA-N 0 3 285.334 3.184 20 30 CGEDHN Cc1ncccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334936672 375045643 /nfs/dbraw/zinc/04/56/43/375045643.db2.gz SEGPGCQSIZUULP-GOSISDBHSA-N 0 3 277.371 3.429 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(n2ccnc2)CC1 ZINC000187663909 375065790 /nfs/dbraw/zinc/06/57/90/375065790.db2.gz OEIBBFACUZQRJI-CQSZACIVSA-N 0 3 280.375 3.153 20 30 CGEDHN CC#CCNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475710684 375136409 /nfs/dbraw/zinc/13/64/09/375136409.db2.gz SEPFBTKEGJXGLP-UHFFFAOYSA-N 0 3 271.282 3.433 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000481348051 375163573 /nfs/dbraw/zinc/16/35/73/375163573.db2.gz MXVDJMZCOBUIIX-DOTOQJQBSA-N 0 3 291.822 3.174 20 30 CGEDHN N#Cc1ccc(OCCNCc2scnc2C2CC2)cc1 ZINC000487311214 375226218 /nfs/dbraw/zinc/22/62/18/375226218.db2.gz OLASJRFLZIPMIU-UHFFFAOYSA-N 0 3 299.399 3.061 20 30 CGEDHN COCCN(Cc1ccc(F)cc1C#N)[C@H]1CCC[C@@H]1C ZINC000487999179 375294226 /nfs/dbraw/zinc/29/42/26/375294226.db2.gz LEMRZAZPVHFCRH-GUYCJALGSA-N 0 3 290.382 3.334 20 30 CGEDHN C=CCCCCCN[C@@H](CO)c1ccc(F)cc1 ZINC000488254071 375306417 /nfs/dbraw/zinc/30/64/17/375306417.db2.gz XEJVRDOWHGEJCX-HNNXBMFYSA-N 0 3 251.345 3.195 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Br)cc2)C1 ZINC000335283180 375258826 /nfs/dbraw/zinc/25/88/26/375258826.db2.gz FVCXOZZFCRKRCF-WCQYABFASA-N 0 3 279.181 3.231 20 30 CGEDHN Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)cc(C)n1 ZINC000335616097 375336046 /nfs/dbraw/zinc/33/60/46/375336046.db2.gz YGHZGTGYHHPEMF-SFHVURJKSA-N 0 3 277.371 3.347 20 30 CGEDHN N#Cc1ccc(C2=CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000335702445 375358786 /nfs/dbraw/zinc/35/87/86/375358786.db2.gz WKILEGVAFLUDDV-QAPCUYQASA-N 0 3 277.371 3.340 20 30 CGEDHN C[C@H]1N(Cc2ccc(F)c(C#N)c2)CCC12CCOCC2 ZINC000335816541 375454640 /nfs/dbraw/zinc/45/46/40/375454640.db2.gz SQXAGDFDKSVUKS-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN Cn1cc(CN2CCC(Cc3ccccc3)CC2)cc1C#N ZINC000191161020 375587334 /nfs/dbraw/zinc/58/73/34/375587334.db2.gz BNHPBQTUDYTZSZ-UHFFFAOYSA-N 0 3 293.414 3.351 20 30 CGEDHN CCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccc(OC)c1 ZINC000191240587 375600087 /nfs/dbraw/zinc/60/00/87/375600087.db2.gz LZGKUBHGOMMYBM-AWEZNQCLSA-N 0 3 297.402 3.488 20 30 CGEDHN Cc1cc(CNCc2cc(C#N)n(C)c2)ccc1Cl ZINC000191594716 375642355 /nfs/dbraw/zinc/64/23/55/375642355.db2.gz GXPQSZKBHZNCSM-UHFFFAOYSA-N 0 3 273.767 3.148 20 30 CGEDHN C=CCOc1ccc(CN(CCO)CCCC)cc1Cl ZINC000505881374 375663793 /nfs/dbraw/zinc/66/37/93/375663793.db2.gz KLMDFKHQTQPZQY-UHFFFAOYSA-N 0 3 297.826 3.499 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191889514 375673240 /nfs/dbraw/zinc/67/32/40/375673240.db2.gz MITHJIGYVPCYIV-INIZCTEOSA-N 0 3 285.387 3.160 20 30 CGEDHN OCCC[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000192158631 375704235 /nfs/dbraw/zinc/70/42/35/375704235.db2.gz XROVVFCSDLAEGQ-LJQANCHMSA-N 0 3 279.383 3.142 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000336388979 375785124 /nfs/dbraw/zinc/78/51/24/375785124.db2.gz AEFCKVNBBPFXRO-CMPLNLGQSA-N 0 3 285.372 3.119 20 30 CGEDHN C=C(C)CCN[C@H](CCC)c1nnc2ccccn21 ZINC000509030748 375767604 /nfs/dbraw/zinc/76/76/04/375767604.db2.gz JXSOFLYNLUVYGI-CYBMUJFWSA-N 0 3 258.369 3.126 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000336268606 375768303 /nfs/dbraw/zinc/76/83/03/375768303.db2.gz TVJKVPMLMUIVFK-HTQZYQBOSA-N 0 3 271.147 3.330 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000336320996 375776518 /nfs/dbraw/zinc/77/65/18/375776518.db2.gz JCZRVTDWISZVLD-HQJQHLMTSA-N 0 3 283.158 3.257 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ccnn2C)C1 ZINC000336451433 375796323 /nfs/dbraw/zinc/79/63/23/375796323.db2.gz FPTJRUDWQVQOIX-WMLDXEAASA-N 0 3 294.402 3.232 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(Br)s2)C1 ZINC000336598901 375863561 /nfs/dbraw/zinc/86/35/61/375863561.db2.gz LZRWGLSMFWFNRP-IUCAKERBSA-N 0 3 285.210 3.292 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H](O)Cc1ccccc1 ZINC000193290676 375854042 /nfs/dbraw/zinc/85/40/42/375854042.db2.gz KDFLRJALGLQRHS-MRXNPFEDSA-N 0 3 287.428 3.340 20 30 CGEDHN C=CCN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528580014 375905591 /nfs/dbraw/zinc/90/55/91/375905591.db2.gz YAWRHHOZYXZWCM-UHFFFAOYSA-N 0 3 275.396 3.168 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](CC)c2cc(C)ccc2C)C1=O ZINC000528797649 375909971 /nfs/dbraw/zinc/90/99/71/375909971.db2.gz JDCASAARVOYXEV-SJORKVTESA-N 0 3 286.419 3.131 20 30 CGEDHN CCC(C#N)(CC)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000528910242 375914135 /nfs/dbraw/zinc/91/41/35/375914135.db2.gz QGJGYQKFCMAFHY-GFCCVEGCSA-N 0 3 294.358 3.080 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@H](C)C(C)(C)C ZINC000536594871 376100285 /nfs/dbraw/zinc/10/02/85/376100285.db2.gz PZMFPFXNAUBZLY-GFCCVEGCSA-N 0 3 260.381 3.433 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337495960 376224263 /nfs/dbraw/zinc/22/42/63/376224263.db2.gz YIODKZTVLXDLBB-AWEZNQCLSA-N 0 3 277.412 3.242 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000222447114 376235237 /nfs/dbraw/zinc/23/52/37/376235237.db2.gz JRGXAFIABHKBTB-HNNXBMFYSA-N 0 3 293.407 3.337 20 30 CGEDHN C[C@@H](NCCOc1ccccc1F)c1cccc(C#N)c1 ZINC000538394176 376238443 /nfs/dbraw/zinc/23/84/43/376238443.db2.gz QOIXGYSPSIWMCQ-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN COc1ccccc1OCCN[C@H](C)c1cccc(C#N)c1 ZINC000539499486 376316324 /nfs/dbraw/zinc/31/63/24/376316324.db2.gz LFNLDLZOQXVUFG-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN CN(CCOc1ccccc1F)Cc1ccc(CC#N)cc1 ZINC000542210452 376518681 /nfs/dbraw/zinc/51/86/81/376518681.db2.gz SHUUVXUFAONOIG-UHFFFAOYSA-N 0 3 298.361 3.403 20 30 CGEDHN CN(CCOc1ccc(F)cc1)Cc1ccc(CC#N)cc1 ZINC000542210446 376519423 /nfs/dbraw/zinc/51/94/23/376519423.db2.gz ROJRSBGSBIDFPP-UHFFFAOYSA-N 0 3 298.361 3.403 20 30 CGEDHN C#CCCCCNCc1sccc1Br ZINC000231380675 376558745 /nfs/dbraw/zinc/55/87/45/376558745.db2.gz HDRNRFLTKPMXLR-UHFFFAOYSA-N 0 3 272.211 3.404 20 30 CGEDHN C=CCCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000264224433 190098205 /nfs/dbraw/zinc/09/82/05/190098205.db2.gz WJMYOFGBNWUUAW-UHFFFAOYSA-N 0 3 287.407 3.097 20 30 CGEDHN CC[C@@H]1CO[C@@H](C)CN1CCCCC(C)(C)C#N ZINC000233925139 376606563 /nfs/dbraw/zinc/60/65/63/376606563.db2.gz MTPQIBIJZWNBHG-UONOGXRCSA-N 0 3 252.402 3.206 20 30 CGEDHN COc1cc(CN2C[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000235004650 376629079 /nfs/dbraw/zinc/62/90/79/376629079.db2.gz BMLXNNXGEWXNCK-STQMWFEESA-N 0 3 258.365 3.045 20 30 CGEDHN N#Cc1ccc(CNc2nc3ccc(F)cc3[nH]2)cc1 ZINC000236187876 376661652 /nfs/dbraw/zinc/66/16/52/376661652.db2.gz UUSOQOCVSPCJGO-UHFFFAOYSA-N 0 3 266.279 3.186 20 30 CGEDHN N#CCCCOc1cccc(CN[C@H]2CCC[C@H]2F)c1 ZINC000339588092 376763949 /nfs/dbraw/zinc/76/39/49/376763949.db2.gz VWPAGBAOJHYKAT-CVEARBPZSA-N 0 3 276.355 3.349 20 30 CGEDHN C=CCCOCCN[C@@H]1CCc2c1cc(F)cc2F ZINC000155639487 542124843 /nfs/dbraw/zinc/12/48/43/542124843.db2.gz XPAPLTWANUUIKJ-OAHLLOKOSA-N 0 3 267.319 3.134 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C(C)(C)C1 ZINC000545421473 376821881 /nfs/dbraw/zinc/82/18/81/376821881.db2.gz ZTHGMQQERLXZHY-ZDUSSCGKSA-N 0 3 272.392 3.435 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000556440517 376864109 /nfs/dbraw/zinc/86/41/09/376864109.db2.gz OEVHCJRRWNICFW-WQVCFCJDSA-N 0 3 290.363 3.287 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ccc(C#N)cc1F ZINC000341098115 377395284 /nfs/dbraw/zinc/39/52/84/377395284.db2.gz JJUMMBFWCHBRLR-CHWSQXEVSA-N 0 3 275.371 3.372 20 30 CGEDHN N#CCCC1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000563159136 377410732 /nfs/dbraw/zinc/41/07/32/377410732.db2.gz XIXPCRQGOARZNO-UHFFFAOYSA-N 0 3 268.364 3.079 20 30 CGEDHN CC(C)CCc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000567260814 377505327 /nfs/dbraw/zinc/50/53/27/377505327.db2.gz YNUFXLGCFOQEQM-OAHLLOKOSA-N 0 3 287.407 3.235 20 30 CGEDHN CC1(CNCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000570826036 377538950 /nfs/dbraw/zinc/53/89/50/377538950.db2.gz RMDHCKIHENMKAK-UHFFFAOYSA-N 0 3 267.294 3.447 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2conc2Cc2ccccc2)C1 ZINC000569314542 377528117 /nfs/dbraw/zinc/52/81/17/377528117.db2.gz CTVMKDZMRBYBSO-RDJZCZTQSA-N 0 3 295.386 3.437 20 30 CGEDHN N#Cc1cccnc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000265167389 190163172 /nfs/dbraw/zinc/16/31/72/190163172.db2.gz XRMCWGHEEKWOGS-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C=C2CCC(C)CC2)CC1 ZINC000265195044 190165358 /nfs/dbraw/zinc/16/53/58/190165358.db2.gz CSLSMAKVMYPSIM-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN COc1cccc(NC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000573342012 377556508 /nfs/dbraw/zinc/55/65/08/377556508.db2.gz GQZOXLUGLIXBGJ-WMLDXEAASA-N 0 3 299.418 3.264 20 30 CGEDHN Cc1cc(CNCCN(C)Cc2ccccc2)ccc1C#N ZINC000443983160 249137480 /nfs/dbraw/zinc/13/74/80/249137480.db2.gz RCUHAOQWWKINKW-UHFFFAOYSA-N 0 3 293.414 3.088 20 30 CGEDHN Cc1cc(CN2CC[C@H](OCC(C)C)C2)ccc1C#N ZINC000488228630 249172823 /nfs/dbraw/zinc/17/28/23/249172823.db2.gz GCRPZPRZFUFWAQ-KRWDZBQOSA-N 0 3 272.392 3.114 20 30 CGEDHN COC[C@@H](NCCCC(C)(C)C#N)c1ccc(F)cc1 ZINC000342319660 377640348 /nfs/dbraw/zinc/64/03/48/377640348.db2.gz NIYDISYDZSRXPO-OAHLLOKOSA-N 0 3 278.371 3.433 20 30 CGEDHN Cc1cc(CN2CC(C)(C)[C@@H]2C2CC2)ccc1C#N ZINC000574446019 377664018 /nfs/dbraw/zinc/66/40/18/377664018.db2.gz XOHYPOLKCGVEQR-INIZCTEOSA-N 0 3 254.377 3.487 20 30 CGEDHN Cc1cccc(CCN(C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000575043065 377741335 /nfs/dbraw/zinc/74/13/35/377741335.db2.gz GIIXYNPEAWDGOM-OAHLLOKOSA-N 0 3 279.387 3.497 20 30 CGEDHN C=CCCN(C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000342727495 377758948 /nfs/dbraw/zinc/75/89/48/377758948.db2.gz UNYGFHSUGUODFS-HNNXBMFYSA-N 0 3 292.810 3.343 20 30 CGEDHN C=CCCN(C)Cc1cn(C)nc1-c1cccs1 ZINC000343451279 377983820 /nfs/dbraw/zinc/98/38/20/377983820.db2.gz XTJFUJLEPJKKNN-UHFFFAOYSA-N 0 3 261.394 3.157 20 30 CGEDHN C=CCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000267188233 378031469 /nfs/dbraw/zinc/03/14/69/378031469.db2.gz ZHXIMXLFDOZYBY-WMZOPIPTSA-N 0 3 298.430 3.486 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000343641201 378049970 /nfs/dbraw/zinc/04/99/70/378049970.db2.gz ODOXIKZYEAVHBJ-KRWDZBQOSA-N 0 3 284.334 3.175 20 30 CGEDHN COC[C@H](Cc1ccccc1)N[C@H](C)c1ccc(C#N)cc1 ZINC000268818448 378121009 /nfs/dbraw/zinc/12/10/09/378121009.db2.gz QYUZTYJBDMTYOW-BEFAXECRSA-N 0 3 294.398 3.467 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@H](CO)c2ccccc2)cc1 ZINC000268884969 378143174 /nfs/dbraw/zinc/14/31/74/378143174.db2.gz IQGGKHOUOFIHFZ-DNVCBOLYSA-N 0 3 295.382 3.083 20 30 CGEDHN C=CCOCCN(CC)Cc1cccc(Br)c1 ZINC000579256526 378145199 /nfs/dbraw/zinc/14/51/99/378145199.db2.gz VQNNCBUCCPTMEH-UHFFFAOYSA-N 0 3 298.224 3.474 20 30 CGEDHN C[C@@H](O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000268950403 378160131 /nfs/dbraw/zinc/16/01/31/378160131.db2.gz FBFRVTAMBWIMHC-CQSZACIVSA-N 0 3 286.419 3.081 20 30 CGEDHN C=CCCC(=O)N(CCC)CCN1CCCCCC1 ZINC000345364286 378269013 /nfs/dbraw/zinc/26/90/13/378269013.db2.gz RGPCKUIXYMAPCQ-UHFFFAOYSA-N 0 3 266.429 3.067 20 30 CGEDHN N#CCCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000269867971 378275360 /nfs/dbraw/zinc/27/53/60/378275360.db2.gz UATWYFHWRDPLII-ZDUSSCGKSA-N 0 3 250.292 3.236 20 30 CGEDHN C[C@]1(c2ccc(F)cc2)CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000580837970 378262205 /nfs/dbraw/zinc/26/22/05/378262205.db2.gz ODMMDVXJQHKEFP-COXVUDFISA-N 0 3 272.367 3.481 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc3ccccc3[nH]2)CC1 ZINC000270548637 378366786 /nfs/dbraw/zinc/36/67/86/378366786.db2.gz FKCMXEARQJUEGZ-UHFFFAOYSA-N 0 3 270.380 3.015 20 30 CGEDHN C[C@H](C[C@@H](O)c1cccs1)NCc1cccc(C#N)c1 ZINC000270618624 378375768 /nfs/dbraw/zinc/37/57/68/378375768.db2.gz FDUOHNSFQSIAAJ-IUODEOHRSA-N 0 3 286.400 3.222 20 30 CGEDHN COc1ccc(C)cc1[C@H](C)NCCCSCC#N ZINC000271636284 378499311 /nfs/dbraw/zinc/49/93/11/378499311.db2.gz GKIHEIVHCOTMFJ-ZDUSSCGKSA-N 0 3 278.421 3.301 20 30 CGEDHN CC(C)[C@@H](O)C1(CN[C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271987840 378539346 /nfs/dbraw/zinc/53/93/46/378539346.db2.gz YKVCTUIDURXAKQ-MLGOLLRUSA-N 0 3 290.382 3.145 20 30 CGEDHN CCC1(CC)CCCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000346479603 378590380 /nfs/dbraw/zinc/59/03/80/378590380.db2.gz WVKMUWKLNZMETQ-HNNXBMFYSA-N 0 3 293.455 3.039 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccccc1F ZINC000272333789 378614472 /nfs/dbraw/zinc/61/44/72/378614472.db2.gz XBPKJTZCZVBRML-QGZVFWFLSA-N 0 3 289.350 3.183 20 30 CGEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(C)C#N)o1 ZINC000347734193 378725627 /nfs/dbraw/zinc/72/56/27/378725627.db2.gz NYJOWOHSGGJRIN-MDZLAQPJSA-N 0 3 260.337 3.047 20 30 CGEDHN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(C#N)cc1 ZINC000348256391 378868017 /nfs/dbraw/zinc/86/80/17/378868017.db2.gz MKGVCQXFSTXMJC-AVGNSLFASA-N 0 3 250.292 3.253 20 30 CGEDHN CC(C)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348330565 378911992 /nfs/dbraw/zinc/91/19/92/378911992.db2.gz YAKASLQGCUZISP-MRXNPFEDSA-N 0 3 291.826 3.178 20 30 CGEDHN C=C(C)CCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275149262 378945505 /nfs/dbraw/zinc/94/55/05/378945505.db2.gz XMZGSRHHDCKWEN-UHFFFAOYSA-N 0 3 281.346 3.214 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348417825 378948409 /nfs/dbraw/zinc/94/84/09/378948409.db2.gz FRQZYLJFZDGXQK-PBHICJAKSA-N 0 3 295.386 3.102 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000348480631 378965824 /nfs/dbraw/zinc/96/58/24/378965824.db2.gz RVACMVUVGUQHEC-CABCVRRESA-N 0 3 278.396 3.461 20 30 CGEDHN Cc1ccc(C)n1C1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000276822874 379002991 /nfs/dbraw/zinc/00/29/91/379002991.db2.gz ZQPQZNAQJYKBQX-UHFFFAOYSA-N 0 3 296.418 3.152 20 30 CGEDHN N#Cc1cccc(OCCN[C@H](c2cccnc2)C2CC2)c1 ZINC000347376418 218211028 /nfs/dbraw/zinc/21/10/28/218211028.db2.gz YHONKFWVIMNDDN-SFHVURJKSA-N 0 3 293.370 3.073 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnn(CCOC)c2)CCCC1(C)C ZINC000278745419 194135328 /nfs/dbraw/zinc/13/53/28/194135328.db2.gz ROIMLGRMNYOKTF-INIZCTEOSA-N 0 3 291.439 3.096 20 30 CGEDHN CC[C@@H](NCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000278846060 194179958 /nfs/dbraw/zinc/17/99/58/194179958.db2.gz VDLJICIDAOQYFR-OAHLLOKOSA-N 0 3 288.391 3.331 20 30 CGEDHN CN(C)CCN(Cc1cccs1)Cc1cccc(C#N)c1 ZINC000349320456 379229762 /nfs/dbraw/zinc/22/97/62/379229762.db2.gz VOKJYJKBCLWIIC-UHFFFAOYSA-N 0 3 299.443 3.184 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](c2nccn2C)C2CC2)C1 ZINC000639308695 379259171 /nfs/dbraw/zinc/25/91/71/379259171.db2.gz HUHSTWSDTAWTOJ-UKRRQHHQSA-N 0 3 259.397 3.159 20 30 CGEDHN N#Cc1ccc(OC2CCN(C[C@H]3CCC=CO3)CC2)cc1 ZINC000278294553 379339077 /nfs/dbraw/zinc/33/90/77/379339077.db2.gz VHISFKLGOFSWSR-GOSISDBHSA-N 0 3 298.386 3.094 20 30 CGEDHN C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000347588840 218283591 /nfs/dbraw/zinc/28/35/91/218283591.db2.gz XDWGWAFZVVWLKB-KGLIPLIRSA-N 0 3 267.376 3.289 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cccc(OC(F)F)c2)C1 ZINC000349804410 379392668 /nfs/dbraw/zinc/39/26/68/379392668.db2.gz SFAOTEUKQROTPJ-JQWIXIFHSA-N 0 3 266.291 3.070 20 30 CGEDHN CCC[C@H](NCc1ccc(C#N)o1)[C@H](O)c1ccccc1 ZINC000279671149 379486294 /nfs/dbraw/zinc/48/62/94/379486294.db2.gz NICPGMNJHMVSON-DLBZAZTESA-N 0 3 284.359 3.143 20 30 CGEDHN CCC[C@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccccc1 ZINC000279671151 379486672 /nfs/dbraw/zinc/48/66/72/379486672.db2.gz NICPGMNJHMVSON-IRXDYDNUSA-N 0 3 284.359 3.143 20 30 CGEDHN C=CCN(Cc1ccc(OCc2noc(C)n2)cc1)C1CC1 ZINC000350272000 379533262 /nfs/dbraw/zinc/53/32/62/379533262.db2.gz WLZIIIZAFNXNHI-UHFFFAOYSA-N 0 3 299.374 3.107 20 30 CGEDHN C=CCN(Cc1cccc(-n2cccn2)c1)C1CC1 ZINC000350312481 379538323 /nfs/dbraw/zinc/53/83/23/379538323.db2.gz BDCLUJFJBBLSDH-UHFFFAOYSA-N 0 3 253.349 3.023 20 30 CGEDHN COC[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267378586 190325391 /nfs/dbraw/zinc/32/53/91/190325391.db2.gz LWMIDBJDTYWICI-AWEZNQCLSA-N 0 3 297.320 3.025 20 30 CGEDHN C=CCCOCCN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281756786 379845155 /nfs/dbraw/zinc/84/51/55/379845155.db2.gz WDZIUDXGOCCAMF-OAHLLOKOSA-N 0 3 279.355 3.004 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCC(F)(F)C2)o1 ZINC000282164048 379865949 /nfs/dbraw/zinc/86/59/49/379865949.db2.gz XYOHLKZEVUQCJU-SNVBAGLBSA-N 0 3 254.280 3.066 20 30 CGEDHN C=C[C@@H](CO)NCc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000352453543 379822378 /nfs/dbraw/zinc/82/23/78/379822378.db2.gz OAPBJPLYRALFBN-HNNXBMFYSA-N 0 3 299.370 3.124 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(F)c(-c2cccs2)c1 ZINC000352466219 379828062 /nfs/dbraw/zinc/82/80/62/379828062.db2.gz UWXZXXHQAYOBPE-GFCCVEGCSA-N 0 3 277.364 3.191 20 30 CGEDHN COc1cc(CN(C)C2CC(C)(C)C2)ccc1C#N ZINC000395475884 379922398 /nfs/dbraw/zinc/92/23/98/379922398.db2.gz MKPOSLIYIMCZPH-UHFFFAOYSA-N 0 3 258.365 3.187 20 30 CGEDHN C=C(C)CCNCc1cccc(OC)c1OC(F)F ZINC000387504373 379876946 /nfs/dbraw/zinc/87/69/46/379876946.db2.gz XYQSWMCNRBGTBN-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN CC(C)CN(CC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000388182116 379880706 /nfs/dbraw/zinc/88/07/06/379880706.db2.gz OEPITOCDOLQEFX-UHFFFAOYSA-N 0 3 299.418 3.397 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC000352808193 379972166 /nfs/dbraw/zinc/97/21/66/379972166.db2.gz BPQSBNLMULMPEU-QJPTWQEYSA-N 0 3 261.394 3.073 20 30 CGEDHN C[C@@H]1CCC[C@H](CCNCc2nc(C#N)cs2)C1 ZINC000352812598 379976811 /nfs/dbraw/zinc/97/68/11/379976811.db2.gz ZVDNFCWCKQCSBS-VXGBXAGGSA-N 0 3 263.410 3.321 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000414299076 380207178 /nfs/dbraw/zinc/20/71/78/380207178.db2.gz JLGOOORGQUDEAI-HIFRSBDPSA-N 0 3 283.375 3.020 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccnn1-c1ccccc1 ZINC000414158822 380194027 /nfs/dbraw/zinc/19/40/27/380194027.db2.gz ANERRESOUZIXQE-CQSZACIVSA-N 0 3 282.391 3.463 20 30 CGEDHN CSc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353260926 380194526 /nfs/dbraw/zinc/19/45/26/380194526.db2.gz UJHNJZLTYCSYSM-MRXNPFEDSA-N 0 3 295.411 3.452 20 30 CGEDHN CC(C)(CC#N)CN[C@H](c1cncc(F)c1)C1CC1 ZINC000414163472 380194962 /nfs/dbraw/zinc/19/49/62/380194962.db2.gz ITAVCJTZRYSJKZ-AWEZNQCLSA-N 0 3 261.344 3.201 20 30 CGEDHN CC[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCCO2 ZINC000414166383 380196340 /nfs/dbraw/zinc/19/63/40/380196340.db2.gz NOSDNJKKLQIYKZ-AWEZNQCLSA-N 0 3 288.391 3.438 20 30 CGEDHN COc1ccc2c(c1F)CC[C@H]2NCC(C)(C)CC#N ZINC000414169045 380197568 /nfs/dbraw/zinc/19/75/68/380197568.db2.gz RIPSRECTSUPXNV-CYBMUJFWSA-N 0 3 276.355 3.351 20 30 CGEDHN CSCc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000353948554 380250700 /nfs/dbraw/zinc/25/07/00/380250700.db2.gz VOWVKIWSIMWBMG-LSDHHAIUSA-N 0 3 260.406 3.331 20 30 CGEDHN CCS[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000286399160 380208875 /nfs/dbraw/zinc/20/88/75/380208875.db2.gz ZYKDBTNDXNMIOJ-GJZGRUSLSA-N 0 3 278.396 3.461 20 30 CGEDHN C=CCC[C@@H](CC)NCc1nnc(C2CC2)s1 ZINC000414332283 380214447 /nfs/dbraw/zinc/21/44/47/380214447.db2.gz UUJCBBQHMNXNPO-LLVKDONJSA-N 0 3 251.399 3.250 20 30 CGEDHN CC1(C)SC[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000353593324 380214798 /nfs/dbraw/zinc/21/47/98/380214798.db2.gz CWFCKUIHKRGDMV-KBPBESRZSA-N 0 3 258.390 3.029 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCC[C@H](CO)C1)c1ccco1 ZINC000414338167 380214870 /nfs/dbraw/zinc/21/48/70/380214870.db2.gz LJXDEBHMFAAGKQ-KKUMJFAQSA-N 0 3 263.381 3.428 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](CC)[C@@H](O)C(C)C ZINC000414526692 380300525 /nfs/dbraw/zinc/30/05/25/380300525.db2.gz LQXFNAIAFQLFCM-RDJZCZTQSA-N 0 3 277.408 3.137 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000644786067 380510724 /nfs/dbraw/zinc/51/07/24/380510724.db2.gz BOGDQEOIQLYCDN-LSDHHAIUSA-N 0 3 297.851 3.443 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415667502 380513229 /nfs/dbraw/zinc/51/32/29/380513229.db2.gz AQZKZZSXUCRKGB-ZIAGYGMSSA-N 0 3 287.407 3.019 20 30 CGEDHN C=CCN1CCC(NCc2ncc(C(C)(C)C)s2)CC1 ZINC000279132131 194297914 /nfs/dbraw/zinc/29/79/14/194297914.db2.gz MVQFSSMPLJYFHT-UHFFFAOYSA-N 0 3 293.480 3.181 20 30 CGEDHN C=CCOCCN1CCCC[C@H]1c1ccccc1OC ZINC000645085875 380575676 /nfs/dbraw/zinc/57/56/76/380575676.db2.gz QHOAOOKAEABANM-INIZCTEOSA-N 0 3 275.392 3.425 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645206727 380615404 /nfs/dbraw/zinc/61/54/04/380615404.db2.gz ZVDASFGZLYRONG-KBPBESRZSA-N 0 3 285.366 3.464 20 30 CGEDHN C=C(CC)CNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418272250 380716427 /nfs/dbraw/zinc/71/64/27/380716427.db2.gz XHQVPGYPYJWJDU-INIZCTEOSA-N 0 3 289.423 3.075 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355777071 380774927 /nfs/dbraw/zinc/77/49/27/380774927.db2.gz CFMNRODJSJICEY-HZSPNIEDSA-N 0 3 272.392 3.433 20 30 CGEDHN CN(C)[C@@H](CNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421346629 380887979 /nfs/dbraw/zinc/88/79/79/380887979.db2.gz ZMLLGKBBPYNTST-SFHVURJKSA-N 0 3 297.377 3.090 20 30 CGEDHN Fc1ccc(C#CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000279269254 194360590 /nfs/dbraw/zinc/36/05/90/194360590.db2.gz NDPKTLCNDYVRBK-RCCFBDPRSA-N 0 3 299.389 3.115 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cccnc2C#N)C1 ZINC000357172693 381052135 /nfs/dbraw/zinc/05/21/35/381052135.db2.gz NBZPJGCMXCRRMS-ZBFHGGJFSA-N 0 3 292.386 3.201 20 30 CGEDHN C=CCSCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000358026720 381288602 /nfs/dbraw/zinc/28/86/02/381288602.db2.gz QTGJDEJIXLVZOU-LLVKDONJSA-N 0 3 299.411 3.413 20 30 CGEDHN C=CCCOCCN[C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000358367211 381306292 /nfs/dbraw/zinc/30/62/92/381306292.db2.gz KQEZWMZKOXWAAX-BLLLJJGKSA-N 0 3 263.356 3.241 20 30 CGEDHN N#CCCCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000359983791 381398402 /nfs/dbraw/zinc/39/84/02/381398402.db2.gz JPNQADTYYICILK-UHFFFAOYSA-N 0 3 285.391 3.305 20 30 CGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1cn2ccccc2c1C#N ZINC000360475314 381553686 /nfs/dbraw/zinc/55/36/86/381553686.db2.gz BJDSWRHIMCWDJI-XJKSGUPXSA-N 0 3 267.376 3.431 20 30 CGEDHN CCc1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000361493931 381775582 /nfs/dbraw/zinc/77/55/82/381775582.db2.gz VZXUVBMJGZMLDT-UHFFFAOYSA-N 0 3 267.376 3.091 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(F)c2cccnc12 ZINC000361646214 381856136 /nfs/dbraw/zinc/85/61/36/381856136.db2.gz UYXTYPNMJBAWSQ-UHFFFAOYSA-N 0 3 274.339 3.008 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncccc2C#N)C1 ZINC000350303698 219007017 /nfs/dbraw/zinc/00/70/17/219007017.db2.gz XAVPLHUWTMQWOX-RHSMWYFYSA-N 0 3 292.386 3.201 20 30 CGEDHN C=CCN(CC=C)CCOc1ccc(OCC)cc1 ZINC000302806937 542415030 /nfs/dbraw/zinc/41/50/30/542415030.db2.gz GGJCVPDWTWDPHV-UHFFFAOYSA-N 0 3 261.365 3.138 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C)c1ccc(C#N)cc1F ZINC000358555543 533412780 /nfs/dbraw/zinc/41/27/80/533412780.db2.gz LWDMUXSUQURLIG-YPMHNXCESA-N 0 3 278.371 3.145 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(OCCC)cc1 ZINC000381770195 542598022 /nfs/dbraw/zinc/59/80/22/542598022.db2.gz AYDWKTNAENYSCH-AWEZNQCLSA-N 0 3 263.381 3.329 20 30 CGEDHN CO[C@H](CNCc1cccc(C#N)c1)c1ccccc1 ZINC000060528354 392122060 /nfs/dbraw/zinc/12/20/60/392122060.db2.gz HXUINHWPMWGKRP-QGZVFWFLSA-N 0 3 266.344 3.036 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](CC)c2ccc(Cl)cc2)C1=O ZINC000281987563 392269120 /nfs/dbraw/zinc/26/91/20/392269120.db2.gz MNKLCYGDKZIDPF-HUUCEWRRSA-N 0 3 292.810 3.168 20 30 CGEDHN C=CCN1CCC(Nc2ncc(Cl)cc2Cl)CC1 ZINC000283717051 392307446 /nfs/dbraw/zinc/30/74/46/392307446.db2.gz FQSMSYQIXSXMGI-UHFFFAOYSA-N 0 3 286.206 3.451 20 30 CGEDHN C[C@H](c1cccnc1)N(C)CCOc1ccccc1C#N ZINC000108386221 392342792 /nfs/dbraw/zinc/34/27/92/392342792.db2.gz FZGMPUQEEXGZPL-CQSZACIVSA-N 0 3 281.359 3.025 20 30 CGEDHN C=CCC[C@H](NCCOc1ncccc1F)c1ccco1 ZINC000286188959 392378567 /nfs/dbraw/zinc/37/85/67/392378567.db2.gz QTAYOKZYMNIEQT-AWEZNQCLSA-N 0 3 290.338 3.490 20 30 CGEDHN C=CCC[C@H](CCC)N[C@H](c1nncn1C)C(C)C ZINC000289070418 392413636 /nfs/dbraw/zinc/41/36/36/392413636.db2.gz AEMBVQXRJCDCMD-KBPBESRZSA-N 0 3 264.417 3.237 20 30 CGEDHN C=CCC[C@H](O)CN1CCS[C@H](c2ccccc2)C1 ZINC000366161498 392451342 /nfs/dbraw/zinc/45/13/42/392451342.db2.gz CSWSLAAOXKYVBO-HOTGVXAUSA-N 0 3 277.433 3.104 20 30 CGEDHN COC[C@@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000372108737 392585312 /nfs/dbraw/zinc/58/53/12/392585312.db2.gz ODVSLLZYJKGUTR-MRXNPFEDSA-N 0 3 291.822 3.440 20 30 CGEDHN C=CCN(CCc1cccnc1)Cc1cccc(C#N)c1 ZINC000172157777 392618530 /nfs/dbraw/zinc/61/85/30/392618530.db2.gz XVVNLZGXWAOMGQ-UHFFFAOYSA-N 0 3 277.371 3.184 20 30 CGEDHN C=C(C)[C@H](NC[C@@H](O)CCC)c1ccc(F)c(F)c1 ZINC000295631939 392550295 /nfs/dbraw/zinc/55/02/95/392550295.db2.gz BITLKYNDHOPBTM-WFASDCNBSA-N 0 3 269.335 3.333 20 30 CGEDHN CO[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000178527227 392680268 /nfs/dbraw/zinc/68/02/68/392680268.db2.gz JDTWGUNOUJMAAP-HNNXBMFYSA-N 0 3 272.392 3.099 20 30 CGEDHN CN(CCCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000174809260 392645788 /nfs/dbraw/zinc/64/57/88/392645788.db2.gz VCEQBQQMXPUBSE-CQSZACIVSA-N 0 3 288.391 3.088 20 30 CGEDHN Cc1cc(CN2CCC(CC#N)CC2)cc(C)c1O ZINC000335672131 392805810 /nfs/dbraw/zinc/80/58/10/392805810.db2.gz LGCHQQPNRBDFRG-UHFFFAOYSA-N 0 3 258.365 3.135 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000335721872 392810508 /nfs/dbraw/zinc/81/05/08/392810508.db2.gz NWMOLJULVVXTNK-NSHDSACASA-N 0 3 276.767 3.206 20 30 CGEDHN CC(C)CCOC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338914401 392935782 /nfs/dbraw/zinc/93/57/82/392935782.db2.gz YBHATCYWPCLGTQ-LSDHHAIUSA-N 0 3 264.413 3.206 20 30 CGEDHN C[C@@H](CCC#N)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000411693949 392985021 /nfs/dbraw/zinc/98/50/21/392985021.db2.gz GNQMJXCIDDGULY-ZDUSSCGKSA-N 0 3 293.361 3.169 20 30 CGEDHN CC(C)N(CCC1(C#N)CCCCC1)[C@H]1CCOC1 ZINC000411750092 392986107 /nfs/dbraw/zinc/98/61/07/392986107.db2.gz XNKQEBIJSMDNJR-HNNXBMFYSA-N 0 3 264.413 3.350 20 30 CGEDHN CO[C@](C)([C@@H](C)NCC#Cc1ccccc1Cl)C1CC1 ZINC000411962818 392990771 /nfs/dbraw/zinc/99/07/71/392990771.db2.gz BPVSDUPRENGENM-CXAGYDPISA-N 0 3 291.822 3.485 20 30 CGEDHN C=C(CC)CN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412011733 392993232 /nfs/dbraw/zinc/99/32/32/392993232.db2.gz PLXQPAXRAPCZFE-KRWDZBQOSA-N 0 3 289.419 3.073 20 30 CGEDHN C=CCOCCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412015714 392993368 /nfs/dbraw/zinc/99/33/68/392993368.db2.gz TYNSSHYPZGFZTL-KRWDZBQOSA-N 0 3 287.403 3.043 20 30 CGEDHN C=CC[C@H]1N(Cc2ncc(C)n2C)CCCC1(C)C ZINC000342848827 393011396 /nfs/dbraw/zinc/01/13/96/393011396.db2.gz RJZXAKKWIMYGOF-CQSZACIVSA-N 0 3 261.413 3.295 20 30 CGEDHN CC(C)(CCC#N)CNCc1cn2cc(Cl)ccc2n1 ZINC000343142385 393020049 /nfs/dbraw/zinc/02/00/49/393020049.db2.gz SPYMJKNPFOOONH-UHFFFAOYSA-N 0 3 290.798 3.407 20 30 CGEDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000343312983 393024937 /nfs/dbraw/zinc/02/49/37/393024937.db2.gz FSLDULMLHCNTIJ-GOEBONIOSA-N 0 3 254.377 3.243 20 30 CGEDHN C=CCCOCCNCc1cc2cc(Cl)cnc2o1 ZINC000648489748 393062841 /nfs/dbraw/zinc/06/28/41/393062841.db2.gz MOHZXVSUAGGTFR-UHFFFAOYSA-N 0 3 280.755 3.164 20 30 CGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H]1CCCCO1 ZINC000353665353 393229719 /nfs/dbraw/zinc/22/97/19/393229719.db2.gz YGVMXUSNSDLOBK-AFAVFJNCSA-N 0 3 270.376 3.093 20 30 CGEDHN C=C(C)CN1CCN(CC(=C)C)[C@H]([C@@H](C)CC)C1 ZINC000270010174 393235215 /nfs/dbraw/zinc/23/52/15/393235215.db2.gz LPPCSQRYHWALML-HOTGVXAUSA-N 0 3 250.430 3.171 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1c2ccccc2oc1CC ZINC000649222731 393374888 /nfs/dbraw/zinc/37/48/88/393374888.db2.gz IHPAJKSDNOGOAT-OAHLLOKOSA-N 0 3 273.376 3.364 20 30 CGEDHN CC(C)(C)CN(CC#Cc1ccc(Cl)cc1)CCCO ZINC000427026344 393453751 /nfs/dbraw/zinc/45/37/51/393453751.db2.gz JBSDACLXOXVPRT-UHFFFAOYSA-N 0 3 293.838 3.422 20 30 CGEDHN FC(F)(F)CCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709638 393551862 /nfs/dbraw/zinc/55/18/62/393551862.db2.gz VBJUVITVECNMOM-UHFFFAOYSA-N 0 3 279.199 3.305 20 30 CGEDHN CC(C)OCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360884022 393606075 /nfs/dbraw/zinc/60/60/75/393606075.db2.gz MRHJDGGHIBBGQN-KRWDZBQOSA-N 0 3 272.392 3.340 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)CC1(O)CCC(C)CC1 ZINC000434824984 393713814 /nfs/dbraw/zinc/71/38/14/393713814.db2.gz GJHIHTGFSPGFRW-UHFFFAOYSA-N 0 3 298.430 3.487 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(C2CC2)n1 ZINC000435732889 393715419 /nfs/dbraw/zinc/71/54/19/393715419.db2.gz RAIJKRNXRGQKMT-TZMCWYRMSA-N 0 3 278.421 3.091 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)c(F)c1 ZINC000449535405 393887500 /nfs/dbraw/zinc/88/75/00/393887500.db2.gz HQPUMIFZNLGLHI-DOTOQJQBSA-N 0 3 270.351 3.318 20 30 CGEDHN C[C@@H](Cc1ccoc1)NC1(c2cccc(C#N)c2)CC1 ZINC000453172861 394196208 /nfs/dbraw/zinc/19/62/08/394196208.db2.gz LMCQJWKZBOUEMB-ZDUSSCGKSA-N 0 3 266.344 3.361 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000667745706 542925019 /nfs/dbraw/zinc/92/50/19/542925019.db2.gz QFDQQAWWCFFTIX-ZDUSSCGKSA-N 0 3 287.407 3.199 20 30 CGEDHN C=CCN(Cc1ccc(O[C@H]2CCOC2)cc1)C1CC1 ZINC000667982802 542953330 /nfs/dbraw/zinc/95/33/30/542953330.db2.gz QMCOSSYITUNIOT-KRWDZBQOSA-N 0 3 273.376 3.005 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2c(C3CCC3)cnn2C)C1 ZINC000668494127 543020041 /nfs/dbraw/zinc/02/00/41/543020041.db2.gz WFAGMEMNGZPKQC-AWEZNQCLSA-N 0 3 273.424 3.476 20 30 CGEDHN CC(C)(C)CN(CC#Cc1ccc(Cl)cc1)CCO ZINC000674250633 543277322 /nfs/dbraw/zinc/27/73/22/543277322.db2.gz DGQIRLSMKIUVBW-UHFFFAOYSA-N 0 3 279.811 3.032 20 30 CGEDHN C=CCCN1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000338566451 397683782 /nfs/dbraw/zinc/68/37/82/397683782.db2.gz ISIXOMSFCUAWFA-KRWDZBQOSA-N 0 3 258.409 3.159 20 30 CGEDHN C=CCC[C@H](O)CN1CCc2cc(F)ccc2[C@H]1C ZINC000675496951 543344158 /nfs/dbraw/zinc/34/41/58/543344158.db2.gz FPIWUKMIOXCECA-DOMZBBRYSA-N 0 3 263.356 3.072 20 30 CGEDHN COCC#CCN[C@H](C)c1ccc(F)c2ccccc21 ZINC000676846382 543421424 /nfs/dbraw/zinc/42/14/24/543421424.db2.gz GFBYDPZMQINGKQ-CYBMUJFWSA-N 0 3 271.335 3.279 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1csc2ccccc12 ZINC000677048317 543427531 /nfs/dbraw/zinc/42/75/31/543427531.db2.gz VLKDOPBLJWSABM-CQSZACIVSA-N 0 3 261.390 3.270 20 30 CGEDHN CCC#C[C@H](C)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000677047054 543427922 /nfs/dbraw/zinc/42/79/22/543427922.db2.gz QALZLSJTWBOJGC-INIZCTEOSA-N 0 3 288.410 3.135 20 30 CGEDHN COCC#CCN(Cc1ccc2ccccc2c1)C1CC1 ZINC000677817917 543467322 /nfs/dbraw/zinc/46/73/22/543467322.db2.gz CEPHUQFEZPFLDI-UHFFFAOYSA-N 0 3 279.383 3.454 20 30 CGEDHN CCC#C[C@H](C)N(CC)Cc1ccc2c(c1)OCO2 ZINC000677951942 543474521 /nfs/dbraw/zinc/47/45/21/543474521.db2.gz ZFYGFZTWWAKSQX-ZDUSSCGKSA-N 0 3 259.349 3.039 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C3CC3)cc2)CC1 ZINC000678559674 543535347 /nfs/dbraw/zinc/53/53/47/543535347.db2.gz OJSXEOMFKQETQP-UHFFFAOYSA-N 0 3 299.418 3.336 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc2ccccc21 ZINC000678728845 543550570 /nfs/dbraw/zinc/55/05/70/543550570.db2.gz PZLIHURSCQWVNO-CXAGYDPISA-N 0 3 255.361 3.427 20 30 CGEDHN CN(CCc1ccccc1F)Cc1cccc(C#N)c1 ZINC000068861514 165046309 /nfs/dbraw/zinc/04/63/09/165046309.db2.gz LTSGKYXNCCUAMF-UHFFFAOYSA-N 0 3 268.335 3.372 20 30 CGEDHN Cn1cccc1[C@H]1CCCN1CCOc1cccc(C#N)c1 ZINC000076613374 165117483 /nfs/dbraw/zinc/11/74/83/165117483.db2.gz CVZDHTGZHXSMFB-GOSISDBHSA-N 0 3 295.386 3.113 20 30 CGEDHN N#Cc1ccc2ncc(CN3CCC[C@H]3C3CCCC3)n2c1 ZINC000092401474 165295696 /nfs/dbraw/zinc/29/56/96/165295696.db2.gz YYSHYRIRLMOZOZ-KRWDZBQOSA-N 0 3 294.402 3.361 20 30 CGEDHN CCCN(CCc1cscn1)Cc1ccc(C#N)cc1 ZINC000284436781 196054116 /nfs/dbraw/zinc/05/41/16/196054116.db2.gz YYFCLNIQQDQMLD-UHFFFAOYSA-N 0 3 285.416 3.469 20 30 CGEDHN COc1ccc(C#N)cc1CN(C(C)C)C1CCC1 ZINC000125533298 287246505 /nfs/dbraw/zinc/24/65/05/287246505.db2.gz UNABTCZAFDUPBQ-UHFFFAOYSA-N 0 3 258.365 3.330 20 30 CGEDHN C#CCOc1ccccc1CN[C@@H]1CCc2ccccc21 ZINC000020130108 171018820 /nfs/dbraw/zinc/01/88/20/171018820.db2.gz HTFPJIGHNMBTBZ-GOSISDBHSA-N 0 3 277.367 3.476 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000037217928 173035932 /nfs/dbraw/zinc/03/59/32/173035932.db2.gz KABFRHGKGFEXJR-OLZOCXBDSA-N 0 3 251.333 3.365 20 30 CGEDHN COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000037748649 173670898 /nfs/dbraw/zinc/67/08/98/173670898.db2.gz LERQFIRTMOKEKH-CYBMUJFWSA-N 0 3 266.344 3.418 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1F)c1ccccc1 ZINC000072072978 176312399 /nfs/dbraw/zinc/31/23/99/176312399.db2.gz FBLRPMXEYAQXTI-KRWDZBQOSA-N 0 3 283.350 3.412 20 30 CGEDHN COCC#CCN[C@@H](CC1CCC1)c1ccccc1 ZINC000679220351 543601701 /nfs/dbraw/zinc/60/17/01/543601701.db2.gz JBIQLRUJVWQWDT-KRWDZBQOSA-N 0 3 257.377 3.157 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680108860 543685769 /nfs/dbraw/zinc/68/57/69/543685769.db2.gz KPRHOWZUPLGGOM-BBRMVZONSA-N 0 3 261.340 3.081 20 30 CGEDHN CC(C#N)C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000334879006 225344777 /nfs/dbraw/zinc/34/47/77/225344777.db2.gz DVORKLXDHQSWBT-LBPRGKRZSA-N 0 3 290.794 3.380 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000681758216 543806895 /nfs/dbraw/zinc/80/68/95/543806895.db2.gz MFCNGYPDJHBWMU-ZDUSSCGKSA-N 0 3 263.381 3.490 20 30 CGEDHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(C)C#N ZINC000334914891 225364121 /nfs/dbraw/zinc/36/41/21/225364121.db2.gz NOIUYRLBRLVZFP-GXSJLCMTSA-N 0 3 256.305 3.078 20 30 CGEDHN CCC#C[C@@H](C)N(C)CCCOCc1ccccc1 ZINC000685007403 544051761 /nfs/dbraw/zinc/05/17/61/544051761.db2.gz PHBMZLMRVOEHQM-MRXNPFEDSA-N 0 3 259.393 3.327 20 30 CGEDHN CCC#C[C@H](C)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000685595369 544088346 /nfs/dbraw/zinc/08/83/46/544088346.db2.gz TYLXEZLGARJZDI-RRQGHBQHSA-N 0 3 290.838 3.477 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(Br)c(F)c2)C1 ZINC000336625952 227219659 /nfs/dbraw/zinc/21/96/59/227219659.db2.gz QGEFGCXOLLHFSC-ONGXEEELSA-N 0 3 297.171 3.370 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc3cccnc32)C1 ZINC000336625983 227218510 /nfs/dbraw/zinc/21/85/10/227218510.db2.gz VWZSZPLXSZSRPY-IUODEOHRSA-N 0 3 251.333 3.017 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@@H]2C2CCCC2)nn1 ZINC000653503960 419040152 /nfs/dbraw/zinc/04/01/52/419040152.db2.gz BHERNWSFDFKJFS-MRXNPFEDSA-N 0 3 274.412 3.009 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1CC=CC1 ZINC000660536886 419157537 /nfs/dbraw/zinc/15/75/37/419157537.db2.gz IXOZUAFESKOEEO-UHFFFAOYSA-N 0 3 261.365 3.116 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000151385789 287513045 /nfs/dbraw/zinc/51/30/45/287513045.db2.gz GICQSEBGNGKQOS-YEJXKQKISA-N 0 3 298.411 3.146 20 30 CGEDHN C=CCN(CCCC(=O)c1ccccc1)[C@H](C)COC ZINC000661240709 419243783 /nfs/dbraw/zinc/24/37/83/419243783.db2.gz QMOAMATUXVHCBI-OAHLLOKOSA-N 0 3 275.392 3.172 20 30 CGEDHN C=CCN(Cc1cccc(SC)c1)[C@@H](C)COC ZINC000661241074 419244569 /nfs/dbraw/zinc/24/45/69/419244569.db2.gz WOMPGLPFEAGOTL-ZDUSSCGKSA-N 0 3 265.422 3.431 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncnn1C(C)C ZINC000661115002 419232178 /nfs/dbraw/zinc/23/21/78/419232178.db2.gz OBENGOBAJDBLPE-KGLIPLIRSA-N 0 3 262.401 3.084 20 30 CGEDHN FCC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000661691084 419286030 /nfs/dbraw/zinc/28/60/30/419286030.db2.gz SDJJYAPRBVCPHG-OAHLLOKOSA-N 0 3 263.331 3.249 20 30 CGEDHN C=CCC[C@H](O)CN(Cc1ccccc1F)CC1CC1 ZINC000661795006 419299528 /nfs/dbraw/zinc/29/95/28/419299528.db2.gz UQFWPNHPEDOWSB-INIZCTEOSA-N 0 3 277.383 3.365 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(C(C)(C)C)nn1 ZINC000657529271 419299644 /nfs/dbraw/zinc/29/96/44/419299644.db2.gz AWADZFYSOMVBAQ-HIFRSBDPSA-N 0 3 276.428 3.258 20 30 CGEDHN C=CCC1(NCc2nccc(OC)c2OC)CCCC1 ZINC000661851355 419304365 /nfs/dbraw/zinc/30/43/65/419304365.db2.gz SOXRQZSQJXVJEO-UHFFFAOYSA-N 0 3 276.380 3.077 20 30 CGEDHN C=CCC1(NCc2nncn2-c2ccccc2)CCCC1 ZINC000661850476 419304561 /nfs/dbraw/zinc/30/45/61/419304561.db2.gz JCIISSFUKPOCAC-UHFFFAOYSA-N 0 3 282.391 3.246 20 30 CGEDHN C=CCC1(NCC(=O)Nc2ccc(Cl)cn2)CCCC1 ZINC000661861619 419307111 /nfs/dbraw/zinc/30/71/11/419307111.db2.gz DGHSFQALNLAMDA-UHFFFAOYSA-N 0 3 293.798 3.152 20 30 CGEDHN C=CCCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000657582777 419309375 /nfs/dbraw/zinc/30/93/75/419309375.db2.gz FZIFCLWPINXRIP-UHFFFAOYSA-N 0 3 283.297 3.258 20 30 CGEDHN C=CCc1cc(CNC[C@]2(C)CC2(F)F)cc(OC)c1O ZINC000657667138 419324000 /nfs/dbraw/zinc/32/40/00/419324000.db2.gz YKRVVYFMYBVNBO-HNNXBMFYSA-N 0 3 297.345 3.264 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1c2ccccc2C[C@@H]1C ZINC000662077608 419332779 /nfs/dbraw/zinc/33/27/79/419332779.db2.gz CYFHYHOZAMUXQV-BHYGNILZSA-N 0 3 296.414 3.147 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1CCCCCC1 ZINC000662082367 419333588 /nfs/dbraw/zinc/33/35/88/419333588.db2.gz ZNFKQPGWSOYZRU-IYBDPMFKSA-N 0 3 276.424 3.008 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(CC)s1 ZINC000658020549 419494669 /nfs/dbraw/zinc/49/46/69/419494669.db2.gz WFVFVGMHUUVPHJ-RYUDHWBXSA-N 0 3 265.426 3.325 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(C(F)F)nc1 ZINC000657931251 419448857 /nfs/dbraw/zinc/44/88/57/419448857.db2.gz HCUUTZOUYWOHRU-LLVKDONJSA-N 0 3 270.323 3.263 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2c1CCNC2 ZINC000662843703 419496494 /nfs/dbraw/zinc/49/64/94/419496494.db2.gz UWGBOCCMSOFDKW-KDOFPFPSSA-N 0 3 298.430 3.197 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncccc1N(C)C ZINC000658018885 419497346 /nfs/dbraw/zinc/49/73/46/419497346.db2.gz HSRICZVKVZWUAH-LSDHHAIUSA-N 0 3 273.424 3.372 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000658032802 419510552 /nfs/dbraw/zinc/51/05/52/419510552.db2.gz WXMRAXKTQYTHHX-ZIAGYGMSSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000658104633 419583939 /nfs/dbraw/zinc/58/39/39/419583939.db2.gz AZOZYACXJLLWHW-GOEBONIOSA-N 0 3 286.419 3.299 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000658206738 419659124 /nfs/dbraw/zinc/65/91/24/419659124.db2.gz PSGLRFYAVBOCNZ-CQSZACIVSA-N 0 3 277.412 3.242 20 30 CGEDHN C=CCOc1ccccc1CNC1CC(OC(C)C)C1 ZINC000185853645 260013979 /nfs/dbraw/zinc/01/39/79/260013979.db2.gz KZASZULDRQFBKJ-UHFFFAOYSA-N 0 3 275.392 3.297 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C)[C@H]1C ZINC000179661017 260062365 /nfs/dbraw/zinc/06/23/65/260062365.db2.gz KLVCECUYFDIOHA-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCCCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000521369667 260088135 /nfs/dbraw/zinc/08/81/35/260088135.db2.gz CQGZMKXRWKRVIS-OAHLLOKOSA-N 0 3 288.370 3.369 20 30 CGEDHN C#CC[C@H](N[C@@H]1C[C@H](OCC)[C@@H]1SC)c1ccccc1 ZINC000297812786 260135328 /nfs/dbraw/zinc/13/53/28/260135328.db2.gz YHZNZQWSJVTQLH-VVLHAWIVSA-N 0 3 289.444 3.250 20 30 CGEDHN CC(C)(C#N)CCCN1CCN(c2ccc(F)cc2)CC1 ZINC000087608417 260215679 /nfs/dbraw/zinc/21/56/79/260215679.db2.gz GFQOKXFLJXQSKH-UHFFFAOYSA-N 0 3 289.398 3.278 20 30 CGEDHN C=CCCN(C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449272905 260338726 /nfs/dbraw/zinc/33/87/26/260338726.db2.gz XDVGZKBFUSUXFH-UHFFFAOYSA-N 0 3 273.355 3.234 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(C2CCCC2)s1 ZINC000449518424 260684131 /nfs/dbraw/zinc/68/41/31/260684131.db2.gz JQVQRJLSITZBMS-KGLIPLIRSA-N 0 3 278.421 3.234 20 30 CGEDHN CCc1nc2c(s1)[C@@H](N(C)CCCC#N)CCC2 ZINC000152687656 261067987 /nfs/dbraw/zinc/06/79/87/261067987.db2.gz LJLNMTIYUSYTOD-LBPRGKRZSA-N 0 3 263.410 3.318 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000491230840 261380836 /nfs/dbraw/zinc/38/08/36/261380836.db2.gz PKHSRDSUFNGOAZ-GFCCVEGCSA-N 0 3 266.266 3.078 20 30 CGEDHN CSc1ccc(CNCC2(CC#N)CC2)s1 ZINC000309875827 262044137 /nfs/dbraw/zinc/04/41/37/262044137.db2.gz SPPFDXARBIBROF-UHFFFAOYSA-N 0 3 252.408 3.253 20 30 CGEDHN C=CCC[C@@H](CC)N[C@H](C)c1nnc2n1CCCCC2 ZINC000364446484 262242085 /nfs/dbraw/zinc/24/20/85/262242085.db2.gz NXVYRAQLLZCINK-ZIAGYGMSSA-N 0 3 276.428 3.400 20 30 CGEDHN CCCCCCCN[C@H](C)c1nnc2ccccn21 ZINC000059427226 262389575 /nfs/dbraw/zinc/38/95/75/262389575.db2.gz ISIVHEQPCVBKKU-CYBMUJFWSA-N 0 3 260.385 3.350 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)cccc1OC ZINC000435747186 262748107 /nfs/dbraw/zinc/74/81/07/262748107.db2.gz FIDUNRSPGGTTOP-MLGOLLRUSA-N 0 3 295.810 3.419 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2NCC(C)(C)CC#N ZINC000414172492 262813751 /nfs/dbraw/zinc/81/37/51/262813751.db2.gz WBORMGNTAPNYHP-AWEZNQCLSA-N 0 3 276.355 3.351 20 30 CGEDHN C[C@H](CCO)N(CCC(C)(C)C#N)Cc1ccccc1 ZINC000272065562 263002004 /nfs/dbraw/zinc/00/20/04/263002004.db2.gz XUMCLPUJEMUIAL-OAHLLOKOSA-N 0 3 274.408 3.199 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000272539121 263006249 /nfs/dbraw/zinc/00/62/49/263006249.db2.gz ORUYQJZMANWOKB-UHFFFAOYSA-N 0 3 253.349 3.294 20 30 CGEDHN N#CCCCNCc1cnc(-c2ccccc2)s1 ZINC000273039004 263011407 /nfs/dbraw/zinc/01/14/07/263011407.db2.gz HYCUFLUUDPMYGX-UHFFFAOYSA-N 0 3 257.362 3.203 20 30 CGEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCCCC#N ZINC000273086592 263012311 /nfs/dbraw/zinc/01/23/11/263012311.db2.gz RSIWKFDVCMKSAL-UHFFFAOYSA-N 0 3 296.418 3.250 20 30 CGEDHN COCC[C@@H](NCCCC(C)(C)C#N)c1ccco1 ZINC000273224280 263014215 /nfs/dbraw/zinc/01/42/15/263014215.db2.gz DSFJWAWMAUUCES-CYBMUJFWSA-N 0 3 264.369 3.277 20 30 CGEDHN COCC[C@H](NCCCC(C)(C)C#N)c1ccco1 ZINC000273224281 263014259 /nfs/dbraw/zinc/01/42/59/263014259.db2.gz DSFJWAWMAUUCES-ZDUSSCGKSA-N 0 3 264.369 3.277 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000274173400 263021609 /nfs/dbraw/zinc/02/16/09/263021609.db2.gz CIRTUQOTTOPFAL-AVGNSLFASA-N 0 3 273.336 3.328 20 30 CGEDHN COc1cccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000274192969 263021803 /nfs/dbraw/zinc/02/18/03/263021803.db2.gz IJBYMXBYQGHIKC-GZBFAFLISA-N 0 3 258.365 3.428 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(C#N)cc1 ZINC000274217316 263021988 /nfs/dbraw/zinc/02/19/88/263021988.db2.gz OYPOHZKTRCNCGF-NOLJZWGESA-N 0 3 253.349 3.291 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccc(OC)c(O)c1 ZINC000277108628 263039813 /nfs/dbraw/zinc/03/98/13/263039813.db2.gz WEBKVAHPZZVDTK-TZMCWYRMSA-N 0 3 276.380 3.004 20 30 CGEDHN C[C@H](NCCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000278866195 263051281 /nfs/dbraw/zinc/05/12/81/263051281.db2.gz SIIRMQGRSOQZFT-ZDUSSCGKSA-N 0 3 285.395 3.100 20 30 CGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCCCCC2)cc1 ZINC000279152560 263053409 /nfs/dbraw/zinc/05/34/09/263053409.db2.gz AWWHYZKDCDKVHK-MRXNPFEDSA-N 0 3 295.386 3.080 20 30 CGEDHN Cc1nc2ccccc2n1C1CCN(CCCC#N)CC1 ZINC000280212168 263059824 /nfs/dbraw/zinc/05/98/24/263059824.db2.gz KFQYMCCIGPYQRC-UHFFFAOYSA-N 0 3 282.391 3.285 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000287079295 263100899 /nfs/dbraw/zinc/10/08/99/263100899.db2.gz WGQVCUJFBBNWJO-AWEZNQCLSA-N 0 3 280.799 3.293 20 30 CGEDHN CCCC[C@@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291102251 263120156 /nfs/dbraw/zinc/12/01/56/263120156.db2.gz ZUMSYPMDHLJFPR-RHSMWYFYSA-N 0 3 297.402 3.278 20 30 CGEDHN C=CCOc1ccc(CN(CC)C[C@H](C)OC)cc1OC ZINC000291129154 263120262 /nfs/dbraw/zinc/12/02/62/263120262.db2.gz WDHWAAHXZBBMLX-AWEZNQCLSA-N 0 3 293.407 3.117 20 30 CGEDHN C[C@H]1CN(c2cccc(F)c2)CCN1CCCCC#N ZINC000292366024 263131429 /nfs/dbraw/zinc/13/14/29/263131429.db2.gz QQNYDLDCYZGIMF-AWEZNQCLSA-N 0 3 275.371 3.030 20 30 CGEDHN N#CCCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292360473 263131594 /nfs/dbraw/zinc/13/15/94/263131594.db2.gz YSLINRJPKYHDCL-BBRMVZONSA-N 0 3 276.355 3.187 20 30 CGEDHN CC[C@@H]1CCN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000292891275 263136204 /nfs/dbraw/zinc/13/62/04/263136204.db2.gz YXABBJNOHWDHBM-OAHLLOKOSA-N 0 3 288.391 3.362 20 30 CGEDHN N#Cc1cccc(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000292986792 263136897 /nfs/dbraw/zinc/13/68/97/263136897.db2.gz FTDUEPBLVWGFIM-CVEARBPZSA-N 0 3 295.386 3.094 20 30 CGEDHN CSCc1cnc(CN[C@H]2CC[C@@H](CC#N)C2)s1 ZINC000295100807 263172374 /nfs/dbraw/zinc/17/23/74/263172374.db2.gz STKJOCDURRFNOI-QWRGUYRKSA-N 0 3 281.450 3.178 20 30 CGEDHN COCC1(C#N)CCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000341991767 263381910 /nfs/dbraw/zinc/38/19/10/263381910.db2.gz LYZYLDCNCPYWET-ZDUSSCGKSA-N 0 3 286.366 3.064 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000331209813 264162517 /nfs/dbraw/zinc/16/25/17/264162517.db2.gz WYLSICRJGATKIR-OIISXLGYSA-N 0 3 284.403 3.454 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000076735645 264343802 /nfs/dbraw/zinc/34/38/02/264343802.db2.gz ZEVPEOUWGNKHRQ-AWEZNQCLSA-N 0 3 260.381 3.220 20 30 CGEDHN C=CCc1cc(CN(C)[C@H]2CCSC2)cc(OC)c1O ZINC000130534353 264352511 /nfs/dbraw/zinc/35/25/11/264352511.db2.gz YMIAQYGPFNVZRN-AWEZNQCLSA-N 0 3 293.432 3.067 20 30 CGEDHN C=C(C)COCCNCc1cccc(Br)c1 ZINC000131385427 264369918 /nfs/dbraw/zinc/36/99/18/264369918.db2.gz OPDXVPQZILJCKJ-UHFFFAOYSA-N 0 3 284.197 3.131 20 30 CGEDHN C=CCC[C@H](NCCS(=O)(=O)CCC)c1ccccc1 ZINC000180050203 264394785 /nfs/dbraw/zinc/39/47/85/264394785.db2.gz NDSBWXMCTURNHQ-INIZCTEOSA-N 0 3 295.448 3.108 20 30 CGEDHN CCO[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442858307 265168464 /nfs/dbraw/zinc/16/84/64/265168464.db2.gz RSZWDHSJDWYEKA-NUEKZKHPSA-N 0 3 258.365 3.046 20 30 CGEDHN CC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000519713787 265546727 /nfs/dbraw/zinc/54/67/27/265546727.db2.gz ZJROMMQOTHJNHW-OAHLLOKOSA-N 0 3 287.363 3.477 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)CCC#N ZINC000297937672 266050753 /nfs/dbraw/zinc/05/07/53/266050753.db2.gz RSVRONXGRNPQTI-AWEZNQCLSA-N 0 3 255.365 3.463 20 30 CGEDHN CC[C@H]1C[C@H](CN(CCC#N)CC(C)(C)C)CCO1 ZINC000356998914 266228980 /nfs/dbraw/zinc/22/89/80/266228980.db2.gz UOKOVFNFUJFGBZ-CABCVRRESA-N 0 3 266.429 3.453 20 30 CGEDHN N#CCCCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357049505 266238252 /nfs/dbraw/zinc/23/82/52/266238252.db2.gz XJWAJOSSQPGUBB-UHFFFAOYSA-N 0 3 298.386 3.241 20 30 CGEDHN CC(C)(C#N)CCCN1CCOC2(CCCCC2)C1 ZINC000363129735 267076361 /nfs/dbraw/zinc/07/63/61/267076361.db2.gz LCZDNKOCEXJDOD-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN COc1cccc(C2=CCN(CCCCC#N)CC2)c1 ZINC000363200160 267079466 /nfs/dbraw/zinc/07/94/66/267079466.db2.gz GAGOZMFQCFKUSA-UHFFFAOYSA-N 0 3 270.376 3.478 20 30 CGEDHN Fc1ccc(C#CCN2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000368485900 267175946 /nfs/dbraw/zinc/17/59/46/267175946.db2.gz LDHKGRVWJGMQFX-GOSISDBHSA-N 0 3 294.373 3.137 20 30 CGEDHN C=CCCCCCN1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000369534151 267249616 /nfs/dbraw/zinc/24/96/16/267249616.db2.gz YIMHBZNHNIQYDW-HOTGVXAUSA-N 0 3 267.413 3.003 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000370494601 267323658 /nfs/dbraw/zinc/32/36/58/267323658.db2.gz HAIJCDUOAKCNQF-CZUORRHYSA-N 0 3 281.346 3.429 20 30 CGEDHN CCN(CCC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000371566092 267429079 /nfs/dbraw/zinc/42/90/79/267429079.db2.gz RPQXBGXAVCHEEW-WBVHZDCISA-N 0 3 271.408 3.057 20 30 CGEDHN CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000532668560 270218292 /nfs/dbraw/zinc/21/82/92/270218292.db2.gz UHTKDCXLGQJJOP-UHFFFAOYSA-N 0 3 296.374 3.229 20 30 CGEDHN C[C@H]1CC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000453637880 274568094 /nfs/dbraw/zinc/56/80/94/274568094.db2.gz YZPWSKRATGFVJO-GWCFXTLKSA-N 0 3 298.308 3.234 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCC#Cc1ccccc1 ZINC000233983585 276397961 /nfs/dbraw/zinc/39/79/61/276397961.db2.gz PHJRLAFROHVAIK-JKSUJKDBSA-N 0 3 259.418 3.302 20 30 CGEDHN COC1([C@@H](C)NCc2ccc(C#N)s2)CCCC1 ZINC000421848464 277190136 /nfs/dbraw/zinc/19/01/36/277190136.db2.gz AJFIZZHRDLWDJK-LLVKDONJSA-N 0 3 264.394 3.057 20 30 CGEDHN CO[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356410234 277625590 /nfs/dbraw/zinc/62/55/90/277625590.db2.gz VYXHAOHAQUIHML-UWVGGRQHSA-N 0 3 286.297 3.090 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000335154719 278132784 /nfs/dbraw/zinc/13/27/84/278132784.db2.gz DIPXKWUCONTZSY-CYBMUJFWSA-N 0 3 276.339 3.355 20 30 CGEDHN C[C@@H](N[C@@H]1COc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000271970990 278377203 /nfs/dbraw/zinc/37/72/03/278377203.db2.gz ULFDCVWLESTRSO-WBMJQRKESA-N 0 3 296.345 3.352 20 30 CGEDHN CC[C@H](N[C@H]1COCC1(C)C)c1ccc(C#N)cc1 ZINC000453390794 288092141 /nfs/dbraw/zinc/09/21/41/288092141.db2.gz YMCKINZLECYBAD-GJZGRUSLSA-N 0 3 258.365 3.024 20 30 CGEDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356418980 279054362 /nfs/dbraw/zinc/05/43/62/279054362.db2.gz GTOQYUSZDLZQPB-HZMBPMFUSA-N 0 3 298.308 3.234 20 30 CGEDHN Cc1nc2c(s1)[C@H](NCc1ccc(C#N)cc1)CCC2 ZINC000366214382 282044335 /nfs/dbraw/zinc/04/43/35/282044335.db2.gz OOZPVJJOABSYAR-CQSZACIVSA-N 0 3 283.400 3.490 20 30 CGEDHN Cc1ccc2cc(CN3CCC(C#N)CC3)ccc2n1 ZINC000187086039 327709520 /nfs/dbraw/zinc/70/95/20/327709520.db2.gz KKCYJDSGTPADOR-UHFFFAOYSA-N 0 3 265.360 3.279 20 30 CGEDHN CCOc1cc(CN2CCC(CCC#N)CC2)ccc1O ZINC000563157435 327932645 /nfs/dbraw/zinc/93/26/45/327932645.db2.gz DUTJOUPJGIPWLI-UHFFFAOYSA-N 0 3 288.391 3.307 20 30 CGEDHN Cc1ccc2c(CN3CCC(C)(C#N)CC3)ccc(O)c2n1 ZINC000338291154 327976051 /nfs/dbraw/zinc/97/60/51/327976051.db2.gz VMDCPTUENYDECJ-UHFFFAOYSA-N 0 3 295.386 3.375 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563414866 328063110 /nfs/dbraw/zinc/06/31/10/328063110.db2.gz AOCQAZVXZWECNE-CYBMUJFWSA-N 0 3 278.377 3.091 20 30 CGEDHN C=CCN1CCC(Nc2ncnc3scc(C)c32)CC1 ZINC000413132908 328140985 /nfs/dbraw/zinc/14/09/85/328140985.db2.gz UUNYJAQPDKHGRD-UHFFFAOYSA-N 0 3 288.420 3.062 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3c2cccc3F)C1 ZINC000274222061 328209763 /nfs/dbraw/zinc/20/97/63/328209763.db2.gz QBAPUHJRYITVJQ-BFQNTYOBSA-N 0 3 258.340 3.485 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000278620848 328228663 /nfs/dbraw/zinc/22/86/63/328228663.db2.gz NFVVETIFSNTXFO-RHSMWYFYSA-N 0 3 297.402 3.029 20 30 CGEDHN N#CCCCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000292939876 328273970 /nfs/dbraw/zinc/27/39/70/328273970.db2.gz DDFFPGANZSUTNF-OAHLLOKOSA-N 0 3 278.783 3.487 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2c(F)cccc2F)C1 ZINC000294994669 328284004 /nfs/dbraw/zinc/28/40/04/328284004.db2.gz HZBHBYDZDXHMEY-QWRGUYRKSA-N 0 3 250.292 3.137 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2csc(-c3ccccn3)n2)C1 ZINC000294998800 328284144 /nfs/dbraw/zinc/28/41/44/328284144.db2.gz IEFXPRIGINNMQT-STQMWFEESA-N 0 3 298.415 3.377 20 30 CGEDHN C=C(C)CNCC1=Cc2cc(Br)ccc2OC1 ZINC000119616573 328307611 /nfs/dbraw/zinc/30/76/11/328307611.db2.gz UBHBUUVGVBZOKU-UHFFFAOYSA-N 0 3 294.192 3.391 20 30 CGEDHN C=C(C)CNCc1cc(OC)ccc1OCc1ccccn1 ZINC000119661756 328307616 /nfs/dbraw/zinc/30/76/16/328307616.db2.gz ATLUNIKYFWWHMD-UHFFFAOYSA-N 0 3 298.386 3.335 20 30 CGEDHN CC#CCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000119591050 328307309 /nfs/dbraw/zinc/30/73/09/328307309.db2.gz UJOSRQJYPPWPTM-MRXNPFEDSA-N 0 3 277.795 3.109 20 30 CGEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565043469 322056660 /nfs/dbraw/zinc/05/66/60/322056660.db2.gz HLFAKVWNGQOSLJ-JHJVBQTASA-N 0 3 287.363 3.333 20 30 CGEDHN C[C@@H](C1CC1)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000565047970 322057184 /nfs/dbraw/zinc/05/71/84/322057184.db2.gz YQGZHRJLJSVGCJ-NSHDSACASA-N 0 3 285.347 3.229 20 30 CGEDHN C[C@H]1CCCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566300620 322114513 /nfs/dbraw/zinc/11/45/13/322114513.db2.gz IHOIZZUZNQSGQD-LBPRGKRZSA-N 0 3 273.336 3.088 20 30 CGEDHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)cn1 ZINC000572375162 322333691 /nfs/dbraw/zinc/33/36/91/322333691.db2.gz JJVRZJZEFSLZIQ-PBHICJAKSA-N 0 3 277.371 3.331 20 30 CGEDHN Cc1nc(N[C@H]2CN(C(C)C)C[C@H]2C)c(Cl)cc1C#N ZINC000573380712 322385119 /nfs/dbraw/zinc/38/51/19/322385119.db2.gz HYIXWENEORXHHL-YGRLFVJLSA-N 0 3 292.814 3.056 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000294287094 328548329 /nfs/dbraw/zinc/54/83/29/328548329.db2.gz MPEUWZCFGMXGRF-VXGBXAGGSA-N 0 3 259.324 3.176 20 30 CGEDHN N#CCC[C@H](C#N)CNC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000557217340 326997384 /nfs/dbraw/zinc/99/73/84/326997384.db2.gz PNIGVVLDIYIGIJ-KBAYOESNSA-N 0 3 297.402 3.187 20 30 CGEDHN C=CCN[C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558899141 327130355 /nfs/dbraw/zinc/13/03/55/327130355.db2.gz ACWBRYTWUADVJC-HUUCEWRRSA-N 0 3 282.790 3.390 20 30 CGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCC1(C#N)CC1)CC3 ZINC000569426145 327175973 /nfs/dbraw/zinc/17/59/73/327175973.db2.gz YAXVMTQNLMSYFB-ZDUSSCGKSA-N 0 3 279.387 3.227 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)C2)nc1 ZINC000584299588 327229618 /nfs/dbraw/zinc/22/96/18/327229618.db2.gz OKBDZNWDPNMFSL-KRWDZBQOSA-N 0 3 277.371 3.333 20 30 CGEDHN N#CC1(CCN2CCc3cc[nH]c(=O)c3C2)CCCCC1 ZINC000574019062 327281580 /nfs/dbraw/zinc/28/15/80/327281580.db2.gz AKTCZTDHDCPGKU-UHFFFAOYSA-N 0 3 285.391 3.009 20 30 CGEDHN C=C(C)CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000560462446 327310761 /nfs/dbraw/zinc/31/07/61/327310761.db2.gz TXRFBMJONXTKDA-ZDUSSCGKSA-N 0 3 273.298 3.295 20 30 CGEDHN C[C@@H](NCCCC#N)c1cc(Br)cs1 ZINC000279584569 327555424 /nfs/dbraw/zinc/55/54/24/327555424.db2.gz UXEDLFKBWLXYEO-MRVPVSSYSA-N 0 3 273.199 3.465 20 30 CGEDHN CCn1c2ccccc2nc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000570246461 327578193 /nfs/dbraw/zinc/57/81/93/327578193.db2.gz WSUDRVZZGCMKFW-KBPBESRZSA-N 0 3 282.391 3.228 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CSC[C@@H]1C ZINC000295152899 327609814 /nfs/dbraw/zinc/60/98/14/327609814.db2.gz JQWPCOHWTCHCTA-JSGCOSHPSA-N 0 3 263.406 3.093 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000526986305 328818267 /nfs/dbraw/zinc/81/82/67/328818267.db2.gz KHZARZGKCMINMD-JYBOHDQNSA-N 0 3 262.319 3.493 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1sccc1Br ZINC000393626143 329088122 /nfs/dbraw/zinc/08/81/22/329088122.db2.gz XWIZGEVALDHHEO-DTWKUNHWSA-N 0 3 290.226 3.098 20 30 CGEDHN COc1ccc([C@@H](CCC#N)NC[C@H]2CCCCO2)cc1 ZINC000582466237 329088386 /nfs/dbraw/zinc/08/83/86/329088386.db2.gz MJKIUMGUPLXINB-IAGOWNOFSA-N 0 3 288.391 3.199 20 30 CGEDHN CC[C@](C)(C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000582473545 329094147 /nfs/dbraw/zinc/09/41/47/329094147.db2.gz UBTOXRVIVQIYFM-GOSISDBHSA-N 0 3 299.418 3.095 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OCc2nccn2C)cc1 ZINC000181291890 329229941 /nfs/dbraw/zinc/22/99/41/329229941.db2.gz KJHDRSHOKDDCQY-UHFFFAOYSA-N 0 3 285.391 3.007 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000181334557 329231824 /nfs/dbraw/zinc/23/18/24/329231824.db2.gz PZOMAYCHZCQORA-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN COc1ccc([C@@H](C)NCCCC#N)cc1Br ZINC000181905666 329238174 /nfs/dbraw/zinc/23/81/74/329238174.db2.gz UAQBXSCQUDCTRF-SNVBAGLBSA-N 0 3 297.196 3.412 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC)c1ccc(C)cc1 ZINC000182225237 329240996 /nfs/dbraw/zinc/24/09/96/329240996.db2.gz HDTUCALNSWOSIP-KRWDZBQOSA-N 0 3 286.419 3.236 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3c(c2)OCCCO3)C1 ZINC000185811741 329329546 /nfs/dbraw/zinc/32/95/46/329329546.db2.gz CGLHYSPTWOGPOI-DZGCQCFKSA-N 0 3 286.375 3.020 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc3c(c2)OCCCO3)C1 ZINC000185811760 329329633 /nfs/dbraw/zinc/32/96/33/329329633.db2.gz CGLHYSPTWOGPOI-ZFWWWQNUSA-N 0 3 286.375 3.020 20 30 CGEDHN C=CCSCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185969419 329337628 /nfs/dbraw/zinc/33/76/28/329337628.db2.gz RFULIHGGBHLAOO-JTQLQIEISA-N 0 3 255.358 3.101 20 30 CGEDHN C[C@@H](O)[C@H](NCC(C)(C)CCC#N)c1ccccc1F ZINC000583757226 329474433 /nfs/dbraw/zinc/47/44/33/329474433.db2.gz JKDJVYGHHZGPEL-DOMZBBRYSA-N 0 3 278.371 3.167 20 30 CGEDHN C=C(CN[C@H](C)c1cnn(CC)c1)c1ccccc1 ZINC000268857926 330066637 /nfs/dbraw/zinc/06/66/37/330066637.db2.gz UZBBDNJTIASCAE-CQSZACIVSA-N 0 3 255.365 3.267 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cccc(F)c2C)nc(C)n1 ZINC000422114101 330127605 /nfs/dbraw/zinc/12/76/05/330127605.db2.gz ARIHXFNIILYZSM-CYBMUJFWSA-N 0 3 283.306 3.031 20 30 CGEDHN CN(C)Cc1ccccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000433141265 330152129 /nfs/dbraw/zinc/15/21/29/330152129.db2.gz NJNLDWKUFSEQEX-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000424077263 330221050 /nfs/dbraw/zinc/22/10/50/330221050.db2.gz BBXCARDCTAENDM-CQSZACIVSA-N 0 3 299.399 3.375 20 30 CGEDHN C=CC(C)(C)CNCc1ncc(Br)cc1F ZINC000527715020 330276238 /nfs/dbraw/zinc/27/62/38/330276238.db2.gz CMMRKINTATYYDH-UHFFFAOYSA-N 0 3 287.176 3.285 20 30 CGEDHN COCCOc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424321662 330340316 /nfs/dbraw/zinc/34/03/16/330340316.db2.gz HMPWSWMNHVVMPQ-IJEWVQPXSA-N 0 3 288.391 3.055 20 30 CGEDHN COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424330134 330342098 /nfs/dbraw/zinc/34/20/98/330342098.db2.gz QIBYJPDMJDLQPA-MBNYWOFBSA-N 0 3 274.364 3.047 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000533299151 330356527 /nfs/dbraw/zinc/35/65/27/330356527.db2.gz DBGFDHNPEGTVAT-ZJIFWQFVSA-N 0 3 280.456 3.214 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(C)ccc1OC(F)F ZINC000537092340 330398418 /nfs/dbraw/zinc/39/84/18/330398418.db2.gz STWHCXOYJUFACF-CHWSQXEVSA-N 0 3 299.361 3.432 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCOc2cccc(Cl)c2)C1 ZINC000442789592 330783749 /nfs/dbraw/zinc/78/37/49/330783749.db2.gz YIEGGLPEHAGQPF-DGCLKSJQSA-N 0 3 264.756 3.001 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCOc3c(F)cccc32)C1 ZINC000442839734 330786248 /nfs/dbraw/zinc/78/62/48/330786248.db2.gz UPPREFGMDPGUTL-JMSVASOKSA-N 0 3 274.339 3.321 20 30 CGEDHN C=C[C@@H](C)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000447580971 330871105 /nfs/dbraw/zinc/87/11/05/330871105.db2.gz RLQYPIHWNFZFSC-PWSUYJOCSA-N 0 3 277.364 3.306 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2csc(C3CC3)n2)C1 ZINC000449445738 330926224 /nfs/dbraw/zinc/92/62/24/330926224.db2.gz LBGCZHMNIUBTNG-JQWIXIFHSA-N 0 3 261.394 3.192 20 30 CGEDHN C=CCc1cc(CNC/C=C/CC)cc(OC)c1O ZINC000449454834 330927143 /nfs/dbraw/zinc/92/71/43/330927143.db2.gz KHOZDKVSMCCCLO-VOTSOKGWSA-N 0 3 261.365 3.185 20 30 CGEDHN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1CC1(C#N)CCC1 ZINC000450953809 331008553 /nfs/dbraw/zinc/00/85/53/331008553.db2.gz AFBUJMUBYODBJA-XHSDSOJGSA-N 0 3 276.424 3.086 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000451269647 331022608 /nfs/dbraw/zinc/02/26/08/331022608.db2.gz RFCDLYNXZIQGBP-GDBMZVCRSA-N 0 3 288.435 3.315 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000451606721 331036375 /nfs/dbraw/zinc/03/63/75/331036375.db2.gz NPNHTELRJAIATC-HONMWMINSA-N 0 3 283.318 3.282 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Cl)s1 ZINC000451612113 331036922 /nfs/dbraw/zinc/03/69/22/331036922.db2.gz ZDECJYABFGBJLP-BBBLOLIVSA-N 0 3 257.786 3.396 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000451670861 331038193 /nfs/dbraw/zinc/03/81/93/331038193.db2.gz DLCILWOAFFYXNL-ZIAGYGMSSA-N 0 3 292.423 3.427 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1sccc1OC ZINC000453335052 331118251 /nfs/dbraw/zinc/11/82/51/331118251.db2.gz FIWTVXXULSQWHI-UTUOFQBUSA-N 0 3 267.394 3.141 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1OC ZINC000453354411 331121305 /nfs/dbraw/zinc/12/13/05/331121305.db2.gz NLMFHEPWOFHYTQ-CFVMTHIKSA-N 0 3 261.365 3.079 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2c1c(F)ccc2F ZINC000453379315 331125541 /nfs/dbraw/zinc/12/55/41/331125541.db2.gz YZNINYSITIUFAO-ILXRZTDVSA-N 0 3 279.330 3.275 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1SC ZINC000453379403 331125561 /nfs/dbraw/zinc/12/55/61/331125561.db2.gz ZFZJPOXJLSRNSE-YUTCNCBUSA-N 0 3 263.406 3.403 20 30 CGEDHN C=CCC1(CN[C@@H](c2nnc[nH]2)c2cccnc2)CCCC1 ZINC000453390496 331127298 /nfs/dbraw/zinc/12/72/98/331127298.db2.gz XZZCIDXASOJOJL-OAHLLOKOSA-N 0 3 297.406 3.015 20 30 CGEDHN C=CC1CC[NH+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459343674 331277054 /nfs/dbraw/zinc/27/70/54/331277054.db2.gz LWAPLEUEZJIVCZ-UHFFFAOYSA-N 0 3 295.386 3.247 20 30 CGEDHN C=CCCCCCN1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000488454058 332010847 /nfs/dbraw/zinc/01/08/47/332010847.db2.gz YAACUGDYBVLVIB-DLBZAZTESA-N 0 3 280.456 3.454 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000489283367 332045187 /nfs/dbraw/zinc/04/51/87/332045187.db2.gz AJBKGMCLUMHYRO-GDBMZVCRSA-N 0 3 270.376 3.160 20 30 CGEDHN C#CCN(Cc1ccccc1NC(C)=O)C1CCCCC1 ZINC000490897743 332126930 /nfs/dbraw/zinc/12/69/30/332126930.db2.gz FGRHFNCARLTESN-UHFFFAOYSA-N 0 3 284.403 3.413 20 30 CGEDHN C#CCN(Cc1ccc(CC#N)cc1)C1CCCC1 ZINC000490933624 332130296 /nfs/dbraw/zinc/13/02/96/332130296.db2.gz FIYDPIHJPQUFEX-UHFFFAOYSA-N 0 3 252.361 3.130 20 30 CGEDHN C=CCOc1ccccc1CN1CC(C2CCC2)C1 ZINC000575367930 335098290 /nfs/dbraw/zinc/09/82/90/335098290.db2.gz NBQWGYDVMVCOEQ-UHFFFAOYSA-N 0 3 257.377 3.483 20 30 CGEDHN C#C[C@H](NCc1cc(F)cc2cccnc21)C(C)C ZINC000491712321 332303578 /nfs/dbraw/zinc/30/35/78/332303578.db2.gz ZGQHUSAKJFESMS-HNNXBMFYSA-N 0 3 256.324 3.121 20 30 CGEDHN C=CCOc1ccc(CN2CCCCC2)cc1OC ZINC000092107196 334396151 /nfs/dbraw/zinc/39/61/51/334396151.db2.gz NIBOTDOBWKAQHG-UHFFFAOYSA-N 0 3 261.365 3.246 20 30 CGEDHN CC(C#N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000336711877 335114118 /nfs/dbraw/zinc/11/41/18/335114118.db2.gz LMKJUXRHUFEQND-AWEZNQCLSA-N 0 3 294.354 3.041 20 30 CGEDHN COCC(C)(C)NCc1ccccc1C(C)(C)C#N ZINC000177930044 333065828 /nfs/dbraw/zinc/06/58/28/333065828.db2.gz OYMXRLKYYGAFQE-UHFFFAOYSA-N 0 3 260.381 3.002 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191396450 333219210 /nfs/dbraw/zinc/21/92/10/333219210.db2.gz JMGHTILGSOZTTN-CYBMUJFWSA-N 0 3 279.428 3.190 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191396465 333219293 /nfs/dbraw/zinc/21/92/93/333219293.db2.gz JMGHTILGSOZTTN-ZDUSSCGKSA-N 0 3 279.428 3.190 20 30 CGEDHN C=CCCOCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000194127452 333265981 /nfs/dbraw/zinc/26/59/81/333265981.db2.gz PPBZCFAAHHJPFQ-HNNXBMFYSA-N 0 3 283.799 3.210 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc3cccnc32)CC1 ZINC000227354515 333281621 /nfs/dbraw/zinc/28/16/21/333281621.db2.gz IZAOUYGSWFNCOG-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN C=CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000524811660 333389240 /nfs/dbraw/zinc/38/92/40/333389240.db2.gz QMIBWASOUYKNBC-UHFFFAOYSA-N 0 3 284.325 3.404 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000538332512 333585509 /nfs/dbraw/zinc/58/55/09/333585509.db2.gz GCPFPUMZFAFYOT-CVEARBPZSA-N 0 3 280.456 3.358 20 30 CGEDHN N#Cc1ccc(CNCCCc2c[nH]c3ccccc23)o1 ZINC000174369970 335153165 /nfs/dbraw/zinc/15/31/65/335153165.db2.gz PAACITNUPNBYBF-UHFFFAOYSA-N 0 3 279.343 3.355 20 30 CGEDHN Cc1cccc(O[C@H](C)CNCc2ccc(C#N)cc2)c1 ZINC000174571610 335159242 /nfs/dbraw/zinc/15/92/42/335159242.db2.gz XXKIYLZAUZSEIO-OAHLLOKOSA-N 0 3 280.371 3.424 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000174645870 335161972 /nfs/dbraw/zinc/16/19/72/335161972.db2.gz DPEKQXXWXWYPPY-CQSZACIVSA-N 0 3 293.370 3.238 20 30 CGEDHN C[C@]1(NCC#Cc2ccccc2Cl)CCO[C@@H]1C1CC1 ZINC000544179608 333919950 /nfs/dbraw/zinc/91/99/50/333919950.db2.gz UNTDSEQGCQTUIF-SJORKVTESA-N 0 3 289.806 3.239 20 30 CGEDHN C=CC[C@@H](CC)NCc1ccn(-c2ccccc2)n1 ZINC000341426537 335169169 /nfs/dbraw/zinc/16/91/69/335169169.db2.gz CMPFCJTUJPEKSC-CQSZACIVSA-N 0 3 255.365 3.317 20 30 CGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000549469095 334194987 /nfs/dbraw/zinc/19/49/87/334194987.db2.gz REAXBRNWRSKTSM-QLFBSQMISA-N 0 3 292.423 3.122 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000249034377 334325247 /nfs/dbraw/zinc/32/52/47/334325247.db2.gz BXUPQRBSASSKFN-SOLBZPMBSA-N 0 3 286.419 3.150 20 30 CGEDHN N#CCCn1cc(CN[C@@H]2CC23CC3)c(-c2ccccc2)n1 ZINC000566095084 334621758 /nfs/dbraw/zinc/62/17/58/334621758.db2.gz HOROVLXCZNQWKP-MRXNPFEDSA-N 0 3 292.386 3.106 20 30 CGEDHN C[C@H](O)[C@@H](NC1CCC(C)(C#N)CC1)c1ccccc1F ZINC000568034337 334786532 /nfs/dbraw/zinc/78/65/32/334786532.db2.gz PPABDLYPTPGBHG-UIMIYHRKSA-N 0 3 290.382 3.310 20 30 CGEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C#N)cc1 ZINC000177601776 335375878 /nfs/dbraw/zinc/37/58/78/335375878.db2.gz YMPODRIVZJDVNK-KRWDZBQOSA-N 0 3 278.355 3.344 20 30 CGEDHN C[C@H](CNCc1cc(C#N)cs1)N1CCc2ccccc21 ZINC000177683387 335378474 /nfs/dbraw/zinc/37/84/74/335378474.db2.gz CWBZCHZWLGDIND-CYBMUJFWSA-N 0 3 297.427 3.161 20 30 CGEDHN CO[C@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000177689154 335379150 /nfs/dbraw/zinc/37/91/50/335379150.db2.gz SDFKNUHNDZFGOF-OAHLLOKOSA-N 0 3 272.373 3.097 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cncc(Br)c1 ZINC000581260299 336033880 /nfs/dbraw/zinc/03/38/80/336033880.db2.gz GIVWDZJTWFVDTR-SNVBAGLBSA-N 0 3 294.196 3.189 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)o1)[C@@H]1CC2CCC1CC2 ZINC000381594990 336069275 /nfs/dbraw/zinc/06/92/75/336069275.db2.gz FFYYTCSNLRGCIR-OCLKLICZSA-N 0 3 258.365 3.456 20 30 CGEDHN C[C@H](Nc1ncccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000439129079 534032227 /nfs/dbraw/zinc/03/22/27/534032227.db2.gz PUIMBCSZORLYLY-BBRMVZONSA-N 0 3 280.375 3.057 20 30 CGEDHN C[C@@H]1OCC[C@]1(C)NCc1cccc(OCCCC#N)c1 ZINC000344387986 534205830 /nfs/dbraw/zinc/20/58/30/534205830.db2.gz FLILSQLLUQKTGW-YOEHRIQHSA-N 0 3 288.391 3.026 20 30 CGEDHN Cc1ccc(-c2ncc(CNCCCC#N)s2)o1 ZINC000344329706 534218015 /nfs/dbraw/zinc/21/80/15/534218015.db2.gz NGRJPUBDVPYLDP-UHFFFAOYSA-N 0 3 261.350 3.105 20 30 CGEDHN CC[C@H](CNCc1ccc(C#N)o1)Oc1cccc(F)c1 ZINC000084674777 522196637 /nfs/dbraw/zinc/19/66/37/522196637.db2.gz GEJOBDWZDRAUAF-CYBMUJFWSA-N 0 3 288.322 3.238 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000335284486 534754594 /nfs/dbraw/zinc/75/45/94/534754594.db2.gz DUZJLJYSSNQQOF-GXSJLCMTSA-N 0 3 252.720 3.261 20 30 CGEDHN C=CCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000336189235 526456972 /nfs/dbraw/zinc/45/69/72/526456972.db2.gz SNMRQZUPFFAFOV-NSHDSACASA-N 0 3 260.312 3.332 20 30 CGEDHN C=C(C)CN1CCC(NCc2cc(F)ccc2F)CC1 ZINC000106245454 526602861 /nfs/dbraw/zinc/60/28/61/526602861.db2.gz ZWQXUTVYUDTWRZ-UHFFFAOYSA-N 0 3 280.362 3.095 20 30 CGEDHN C=C(CNCc1cnc2cc(C)ccn12)c1ccccc1 ZINC000343789189 526881690 /nfs/dbraw/zinc/88/16/90/526881690.db2.gz RXARMEZQOWFTLO-UHFFFAOYSA-N 0 3 277.371 3.446 20 30 CGEDHN C=CCOc1cccc(CN(C)CCCOC(C)C)c1 ZINC000353712844 526896497 /nfs/dbraw/zinc/89/64/97/526896497.db2.gz OOUPGCXTMNPFSV-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000353824270 527093106 /nfs/dbraw/zinc/09/31/06/527093106.db2.gz ISNICQRVJNJXCE-QGZVFWFLSA-N 0 3 298.430 3.124 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000344461423 527272721 /nfs/dbraw/zinc/27/27/21/527272721.db2.gz MUROOBAFXQVRIX-KGLIPLIRSA-N 0 3 285.395 3.058 20 30 CGEDHN CC(C)CN(Cc1nc(C#N)cs1)C1CCCC1 ZINC000356090604 527953634 /nfs/dbraw/zinc/95/36/34/527953634.db2.gz RNFOAUVJGJTXAT-UHFFFAOYSA-N 0 3 263.410 3.415 20 30 CGEDHN CC(C)SCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000366985013 528312493 /nfs/dbraw/zinc/31/24/93/528312493.db2.gz ZGBKGZZEYGLPSD-UHFFFAOYSA-N 0 3 289.448 3.080 20 30 CGEDHN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C(C)C#N ZINC000347750122 528489103 /nfs/dbraw/zinc/48/91/03/528489103.db2.gz GMVORZCTMFFHRX-SWLSCSKDSA-N 0 3 276.355 3.011 20 30 CGEDHN CC[C@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000359029824 529217723 /nfs/dbraw/zinc/21/77/23/529217723.db2.gz UPJBHKAYVPVPFZ-AWEZNQCLSA-N 0 3 267.376 3.433 20 30 CGEDHN CCCCCCCCCN(C)C(=O)[C@@H]1CCCN1C ZINC000748564433 572980418 /nfs/dbraw/zinc/98/04/18/572980418.db2.gz JOPBSHGYXSTNJS-HNNXBMFYSA-N 0 3 268.445 3.290 20 30 CGEDHN N#Cc1ccc(CNC[C@@H](O)c2ccccc2Cl)s1 ZINC000749110472 572989278 /nfs/dbraw/zinc/98/92/78/572989278.db2.gz IFNAXRMMTKWYAW-CQSZACIVSA-N 0 3 292.791 3.096 20 30 CGEDHN N#CCOc1ccc(CNCc2cccc3cc[nH]c32)cc1 ZINC000729685567 571929389 /nfs/dbraw/zinc/92/93/89/571929389.db2.gz YXHYVFABDDNFIC-UHFFFAOYSA-N 0 3 291.354 3.360 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCCCC)CC1 ZINC000730021669 571941758 /nfs/dbraw/zinc/94/17/58/571941758.db2.gz NQYNHMJWPVXPAM-OAHLLOKOSA-N 0 3 295.471 3.295 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCNc1snc(Cl)c1C#N ZINC000730806574 572377235 /nfs/dbraw/zinc/37/72/35/572377235.db2.gz SSMXUNGQPOUDPP-AOOOYVTPSA-N 0 3 298.843 3.343 20 30 CGEDHN C=CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccncc1 ZINC000742371197 572569856 /nfs/dbraw/zinc/56/98/56/572569856.db2.gz JNAVQHITSRLERJ-QGZVFWFLSA-N 0 3 293.370 3.369 20 30 CGEDHN CCCCCCCC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000734447847 572657112 /nfs/dbraw/zinc/65/71/12/572657112.db2.gz VWQSUITZQOWLBS-OAHLLOKOSA-N 0 3 268.445 3.147 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC000735407927 572719399 /nfs/dbraw/zinc/71/93/99/572719399.db2.gz BISNDKRDTQTQHJ-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC000735407927 572719402 /nfs/dbraw/zinc/71/94/02/572719402.db2.gz BISNDKRDTQTQHJ-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC000735407927 572719407 /nfs/dbraw/zinc/71/94/07/572719407.db2.gz BISNDKRDTQTQHJ-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC000735407927 572719410 /nfs/dbraw/zinc/71/94/10/572719410.db2.gz BISNDKRDTQTQHJ-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C#CCN(Cc1cc(OC)cc(OC)c1)C1CCCC1 ZINC000746155891 572857871 /nfs/dbraw/zinc/85/78/71/572857871.db2.gz CMVINWRVAFNLQA-UHFFFAOYSA-N 0 3 273.376 3.082 20 30 CGEDHN C#CCN(CC)CCCOc1cccc(Cl)c1 ZINC000746457416 572871621 /nfs/dbraw/zinc/87/16/21/572871621.db2.gz CRDRJCSBUSPTKK-UHFFFAOYSA-N 0 3 251.757 3.064 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC12CCCC2)c1nc2ccccc2[nH]1 ZINC000747479236 572931394 /nfs/dbraw/zinc/93/13/94/572931394.db2.gz JKIWSSXFSVAHPO-NEPJUHHUSA-N 0 3 279.343 3.319 20 30 CGEDHN C[C@H]1CCCN(CCNc2nc3ccccc3cc2C#N)C1 ZINC000750016117 573074214 /nfs/dbraw/zinc/07/42/14/573074214.db2.gz JMKHAOUMDLVTIC-AWEZNQCLSA-N 0 3 294.402 3.250 20 30 CGEDHN C=CC(C)(C)NCc1cncc(Br)c1C ZINC000898461099 620590649 /nfs/dbraw/zinc/59/06/49/620590649.db2.gz ZVLQJZZXQZKOHW-UHFFFAOYSA-N 0 3 269.186 3.207 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565599 613325425 /nfs/dbraw/zinc/32/54/25/613325425.db2.gz HNJHSTOKDMLPSQ-QBPKDAKJSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993314 613333718 /nfs/dbraw/zinc/33/37/18/613333718.db2.gz IWXFVIJIVKIPOW-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C1CCC(C(=O)N2CCN(CC(CC)CC)CC2)CC1 ZINC000950046469 613404971 /nfs/dbraw/zinc/40/49/71/613404971.db2.gz APOJGTPRPLSBSA-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC000980462595 613610732 /nfs/dbraw/zinc/61/07/32/613610732.db2.gz MWWMOPHQVGNZHE-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000972650538 613635045 /nfs/dbraw/zinc/63/50/45/613635045.db2.gz KJPMWLKXKBUFGL-AWEZNQCLSA-N 0 3 290.407 3.044 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000980511713 613635812 /nfs/dbraw/zinc/63/58/12/613635812.db2.gz SGVQPSFYVUUUEO-AWEZNQCLSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)CCC3CCCC3)C2)C1 ZINC000981594856 613677882 /nfs/dbraw/zinc/67/78/82/613677882.db2.gz ITWYZNCWIDEWFL-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC000969103411 613683517 /nfs/dbraw/zinc/68/35/17/613683517.db2.gz RUOWIXFGZBGLPM-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)C[C@@H]1C ZINC000948013226 613787377 /nfs/dbraw/zinc/78/73/77/613787377.db2.gz UMZZVAODCVKCQY-JSGCOSHPSA-N 0 3 292.448 3.134 20 30 CGEDHN C=C1CCC(C(=O)N(CC(C)C)C2CCN(C)CC2)CC1 ZINC000890986593 617925814 /nfs/dbraw/zinc/92/58/14/617925814.db2.gz LGKIAKAXCOCSBF-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2ccccn2)c([O-])c1 ZINC000255492137 618593240 /nfs/dbraw/zinc/59/32/40/618593240.db2.gz XBUAUPGRHWKCAS-RGEXLXHISA-N 0 3 297.402 3.295 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCOCC1 ZINC000179386602 618780638 /nfs/dbraw/zinc/78/06/38/618780638.db2.gz FCFIFDKNAAWEBY-AAEUAGOBSA-N 0 3 298.342 3.067 20 30 CGEDHN C=CC[NH+]1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000255866111 618812382 /nfs/dbraw/zinc/81/23/82/618812382.db2.gz CLXFACRUVJIRPZ-BOPFTXTBSA-N 0 3 278.783 3.115 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)CC ZINC001018130621 618893538 /nfs/dbraw/zinc/89/35/38/618893538.db2.gz RYOBIGWBTGNFDZ-UIBIWLFHSA-N 0 3 290.451 3.064 20 30 CGEDHN N#CC1(CCCCN2CCO[C@H](C(F)F)CC2)CCC1 ZINC000931478017 619182363 /nfs/dbraw/zinc/18/23/63/619182363.db2.gz UZLFQRJOTRBMOS-ZDUSSCGKSA-N 0 3 286.366 3.207 20 30 CGEDHN CC(F)(F)C(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877731492 619416643 /nfs/dbraw/zinc/41/66/43/619416643.db2.gz ZSRQRIBRAQBICZ-UHFFFAOYSA-N 0 3 287.741 3.378 20 30 CGEDHN C=CCN1CCC(N[C@H](C)C(F)(F)c2ccccc2)CC1 ZINC000924984414 619476352 /nfs/dbraw/zinc/47/63/52/619476352.db2.gz TVRNHVCWARPDJX-CQSZACIVSA-N 0 3 294.389 3.407 20 30 CGEDHN C#CCCCCNCc1ccc(F)cc1Br ZINC000124376096 619700575 /nfs/dbraw/zinc/70/05/75/619700575.db2.gz YLUAZMQDLPYOIV-UHFFFAOYSA-N 0 3 284.172 3.481 20 30 CGEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1nccn1C1CC1 ZINC000896633656 620039500 /nfs/dbraw/zinc/03/95/00/620039500.db2.gz UCXJIZHRWHBMRB-UHFFFAOYSA-N 0 3 294.402 3.201 20 30 CGEDHN CC[C@@H]1OCC[C@H]1/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000840709155 620099091 /nfs/dbraw/zinc/09/90/91/620099091.db2.gz BIBFYXXPQMSDAS-VZKYXMTBSA-N 0 3 290.407 3.225 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@@H]1CCCC2(CCC2)O1 ZINC000896918911 620100860 /nfs/dbraw/zinc/10/08/60/620100860.db2.gz SBWHKMALLGOKRP-KRWDZBQOSA-N 0 3 269.388 3.120 20 30 CGEDHN C#CCC1(NCc2nccn2C2CC2)CCCCC1 ZINC000897336311 620210724 /nfs/dbraw/zinc/21/07/24/620210724.db2.gz DGSSZERNUGSKEZ-UHFFFAOYSA-N 0 3 257.381 3.034 20 30 CGEDHN C#CCC1(NCc2ccnc(OC)c2F)CCCCC1 ZINC000897336658 620210852 /nfs/dbraw/zinc/21/08/52/620210852.db2.gz KLNLKPKZCFCRKL-UHFFFAOYSA-N 0 3 276.355 3.045 20 30 CGEDHN CC[C@@](O)(CCC(F)(F)F)CNCC#Cc1ccccc1 ZINC000897519113 620362017 /nfs/dbraw/zinc/36/20/17/620362017.db2.gz PVGFXJOSCKEUTR-OAHLLOKOSA-N 0 3 299.336 3.111 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC000898021904 620468226 /nfs/dbraw/zinc/46/82/26/620468226.db2.gz UYVGKORLMVNDAE-VHSXEESVSA-N 0 3 275.318 3.129 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000989623752 620519191 /nfs/dbraw/zinc/51/91/91/620519191.db2.gz IEPSIIQLAUHIPN-UHFFFAOYSA-N 0 3 292.448 3.089 20 30 CGEDHN C=CC(C)(C)NCc1cn(-c2ccccc2F)nc1C ZINC000898459996 620590044 /nfs/dbraw/zinc/59/00/44/620590044.db2.gz ANEHSBJWKNNHGE-UHFFFAOYSA-N 0 3 273.355 3.374 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000899076576 620619772 /nfs/dbraw/zinc/61/97/72/620619772.db2.gz QMCKRZUDPZICBW-ZNMIVQPWSA-N 0 3 292.423 3.427 20 30 CGEDHN CC[C@@H](N[C@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000902806527 621444232 /nfs/dbraw/zinc/44/42/32/621444232.db2.gz LOMNTRGINDXRNS-QZTJIDSGSA-N 0 3 280.371 3.333 20 30 CGEDHN C[C@@H](NCCc1cccc(F)c1F)c1cc(C#N)ccn1 ZINC000902862922 621479521 /nfs/dbraw/zinc/47/95/21/621479521.db2.gz RIFGZTKMCFJSSO-LLVKDONJSA-N 0 3 287.313 3.125 20 30 CGEDHN CC[C@H](NCc1cnc2n1CCCC2)c1cccc(C#N)c1 ZINC000902984645 621512205 /nfs/dbraw/zinc/51/22/05/621512205.db2.gz SLFGFGAYNGGRSC-KRWDZBQOSA-N 0 3 294.402 3.332 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCn2ccnc21)[C@@]1(C)CCCCO1 ZINC000903002393 621526830 /nfs/dbraw/zinc/52/68/30/621526830.db2.gz BAFHEOUPMMGFBW-YQQAZPJKSA-N 0 3 289.423 3.212 20 30 CGEDHN C[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1cc(C#N)ccn1 ZINC000903008055 621531883 /nfs/dbraw/zinc/53/18/83/621531883.db2.gz LCKDKSGVONZIMK-SKDRFNHKSA-N 0 3 284.190 3.188 20 30 CGEDHN COC1([C@@H](C)NCC2(C#N)CCC2)CCCCC1 ZINC000903036020 621537795 /nfs/dbraw/zinc/53/77/95/621537795.db2.gz ZNNZQUGLSWQSSQ-CYBMUJFWSA-N 0 3 250.386 3.008 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186229 621627114 /nfs/dbraw/zinc/62/71/14/621627114.db2.gz JZNXBTYEASGECD-NSHDSACASA-N 0 3 264.325 3.220 20 30 CGEDHN C=CCC[C@H](NCc1cn(C)nc1Br)C1CC1 ZINC000903187369 621627204 /nfs/dbraw/zinc/62/72/04/621627204.db2.gz BNHMDNRQOSNDTE-LBPRGKRZSA-N 0 3 298.228 3.017 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(C#N)cc1F ZINC000903253027 621642373 /nfs/dbraw/zinc/64/23/73/621642373.db2.gz IBRZEJONJJLIGH-SVODDUIGSA-N 0 3 258.340 3.392 20 30 CGEDHN CC[C@@H]1C[C@H](C)CC[C@H]1NCc1nc(C#N)cs1 ZINC000903263346 621648670 /nfs/dbraw/zinc/64/86/70/621648670.db2.gz MJKQOORDGXAFRJ-NQBHXWOUSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCC(C)(C)c1noc(C23CCCN(CCC2)C3)n1 ZINC000904082450 621865807 /nfs/dbraw/zinc/86/58/07/621865807.db2.gz XXPFUXHOJYAWFJ-UHFFFAOYSA-N 0 3 275.396 3.051 20 30 CGEDHN Cc1cc(C)c(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905081829 622032912 /nfs/dbraw/zinc/03/29/12/622032912.db2.gz TWDDLEGBHVITID-CWZJEYLYSA-N 0 3 267.332 3.044 20 30 CGEDHN CCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905083825 622033369 /nfs/dbraw/zinc/03/33/69/622033369.db2.gz FTYKDDDARYHNEN-OJLMPMFISA-N 0 3 297.358 3.216 20 30 CGEDHN CC1/C(=C/c2ccc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905085015 622033631 /nfs/dbraw/zinc/03/36/31/622033631.db2.gz LCJGXMSSNBBIQQ-MKVDPYIPSA-N 0 3 287.388 3.478 20 30 CGEDHN CC1/C(=C\c2ccsc2C(F)(F)F)C(=O)c2ncnn21 ZINC000905086943 622033685 /nfs/dbraw/zinc/03/36/85/622033685.db2.gz UWBPLIHTJOPMGI-LDHBFYIBSA-N 0 3 299.277 3.199 20 30 CGEDHN CC1/C(=C\c2cccc(CC3CCC3)c2)C(=O)c2ncnn21 ZINC000905087082 622033834 /nfs/dbraw/zinc/03/38/34/622033834.db2.gz VMHWYEYMCVYCAW-HMHNVIDESA-N 0 3 293.370 3.462 20 30 CGEDHN CC1/C(=C\c2cccc(OC(C)(C)C)c2)C(=O)c2ncnn21 ZINC000905085005 622033847 /nfs/dbraw/zinc/03/38/47/622033847.db2.gz LCFXMGDEGZYYLT-LUHPIMIVSA-N 0 3 297.358 3.296 20 30 CGEDHN Cc1cc(Cl)cc(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905085056 622033901 /nfs/dbraw/zinc/03/39/01/622033901.db2.gz LTLGKGPHTMTSID-FYTLYHSASA-N 0 3 287.750 3.389 20 30 CGEDHN CC1/C(=C\c2ccc(C(F)(F)F)s2)C(=O)c2ncnn21 ZINC000905087871 622034505 /nfs/dbraw/zinc/03/45/05/622034505.db2.gz ZWFAPAUKKKWOQI-VWOAIRDFSA-N 0 3 299.277 3.199 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccsc1C#N ZINC000906905959 622270571 /nfs/dbraw/zinc/27/05/71/622270571.db2.gz DHUQBORNRPGRRP-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C#CCCOc1ccc(CN2CCSC(C)(C)C2)cc1 ZINC000769448446 625570050 /nfs/dbraw/zinc/57/00/50/625570050.db2.gz QSRZLWLYCVVBOQ-UHFFFAOYSA-N 0 3 289.444 3.416 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(Br)c1 ZINC000911907410 622569338 /nfs/dbraw/zinc/56/93/38/622569338.db2.gz LWCPWJOQWYKBAT-LBPRGKRZSA-N 0 3 297.196 3.071 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000912396613 622646540 /nfs/dbraw/zinc/64/65/40/622646540.db2.gz QRYHHJNTEKKBCR-IRXDYDNUSA-N 0 3 286.419 3.342 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000912396610 622646840 /nfs/dbraw/zinc/64/68/40/622646840.db2.gz QRYHHJNTEKKBCR-DLBZAZTESA-N 0 3 286.419 3.342 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)cc1OCCC ZINC000912457789 622659159 /nfs/dbraw/zinc/65/91/59/622659159.db2.gz ASQSEZREOTUKTA-CQSZACIVSA-N 0 3 290.407 3.406 20 30 CGEDHN C=CC[C@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912982804 622718603 /nfs/dbraw/zinc/71/86/03/622718603.db2.gz OWLLGNABOOTKBH-AWEZNQCLSA-N 0 3 297.402 3.329 20 30 CGEDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(C#N)cc1 ZINC000226583900 622985387 /nfs/dbraw/zinc/98/53/87/622985387.db2.gz FIWCCRXLMJHRHE-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)CCCCC)CC1 ZINC000173101599 623308565 /nfs/dbraw/zinc/30/85/65/623308565.db2.gz LGQZPOXEGMCIKX-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(C)c3C)CCC[C@@H]12 ZINC000992468728 623580905 /nfs/dbraw/zinc/58/09/05/623580905.db2.gz QQMYHERQGAWKLW-IEBWSBKVSA-N 0 3 298.430 3.216 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@@H]12 ZINC000992474304 623584062 /nfs/dbraw/zinc/58/40/62/623584062.db2.gz ZYUKZNOHYMVYKL-MJGOQNOKSA-N 0 3 298.430 3.216 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992979402 623766965 /nfs/dbraw/zinc/76/69/65/623766965.db2.gz DMKQBNKWPGLZLB-RDJZCZTQSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993051284 623805194 /nfs/dbraw/zinc/80/51/94/623805194.db2.gz RWWQGHPBSWLZLN-XJKSGUPXSA-N 0 3 290.407 3.055 20 30 CGEDHN N#CC(C(=O)CCc1nc2ccccc2o1)c1ccccn1 ZINC000915099320 623894098 /nfs/dbraw/zinc/89/40/98/623894098.db2.gz ZSUCWTLQNDNUMN-LBPRGKRZSA-N 0 3 291.310 3.032 20 30 CGEDHN CC(=NNCc1cccc2cccnc21)c1ccc(N)cc1 ZINC000915960116 624080773 /nfs/dbraw/zinc/08/07/73/624080773.db2.gz ZOXYQRKBZTVNMZ-UHFFFAOYSA-N 0 3 290.370 3.331 20 30 CGEDHN C=CCN(Cc1cc(=O)oc2cc(C)ccc12)C(C)C ZINC000917166920 624248502 /nfs/dbraw/zinc/24/85/02/624248502.db2.gz MSMKHUAWMZQHOZ-UHFFFAOYSA-N 0 3 271.360 3.498 20 30 CGEDHN CCCCCCCCC(=O)N[C@@H]1CCCN(CC)C1 ZINC000918396092 624346375 /nfs/dbraw/zinc/34/63/75/624346375.db2.gz DECXPACKQICISA-OAHLLOKOSA-N 0 3 268.445 3.338 20 30 CGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015788940 624415552 /nfs/dbraw/zinc/41/55/52/624415552.db2.gz TYHKZGRRTXKBLV-LBPRGKRZSA-N 0 3 298.839 3.172 20 30 CGEDHN C/C=C\COc1ccc(CCC(C)=Nn2cnnc2)cc1 ZINC000920359184 624480511 /nfs/dbraw/zinc/48/05/11/624480511.db2.gz IKTWEWFXFFTQLK-IQHQOIKBSA-N 0 3 284.363 3.090 20 30 CGEDHN C=CCCC[C@@H](NC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC000921646748 625800914 /nfs/dbraw/zinc/80/09/14/625800914.db2.gz HZWGANYZHRNJTP-MRXNPFEDSA-N 0 3 297.402 3.474 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC000999250399 625826744 /nfs/dbraw/zinc/82/67/44/625826744.db2.gz OQXWBKAYJLUVJB-JXQTWKCFSA-N 0 3 298.858 3.144 20 30 CGEDHN N#Cc1cc(CNC[C@@H]2OCCc3ccccc32)cs1 ZINC000921738813 625858700 /nfs/dbraw/zinc/85/87/00/625858700.db2.gz WWWNBSJKCCBRAG-INIZCTEOSA-N 0 3 284.384 3.023 20 30 CGEDHN C[C@@H]1Cc2cc(CNCc3ccc(CC#N)cc3)ccc2O1 ZINC000922208105 625983849 /nfs/dbraw/zinc/98/38/49/625983849.db2.gz NNHVRJDZBBGACF-CQSZACIVSA-N 0 3 292.382 3.366 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2csc(C#N)c2)C1 ZINC000922212665 625984642 /nfs/dbraw/zinc/98/46/42/625984642.db2.gz SNEDYPLZPNEWEM-TXEJJXNPSA-N 0 3 264.394 3.055 20 30 CGEDHN Cc1cc(F)ccc1N=NC1CN(C2CC2)C[C@H]1C ZINC000750938373 626369738 /nfs/dbraw/zinc/36/97/38/626369738.db2.gz GRTQSBYAUGRYNG-LLVKDONJSA-N 0 3 261.344 3.016 20 30 CGEDHN C[C@H]1CN(C)CC1N=Nc1ccc(Cl)c(Cl)c1 ZINC000752159523 626420521 /nfs/dbraw/zinc/42/05/21/626420521.db2.gz DOHZDCDOKONWIQ-QMMMGPOBSA-N 0 3 272.179 3.343 20 30 CGEDHN CC(=O)CCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000755752068 626642567 /nfs/dbraw/zinc/64/25/67/626642567.db2.gz VEKRRTJENIUQQR-LBPRGKRZSA-N 0 3 298.342 3.399 20 30 CGEDHN C=CCC[C@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000756762052 626730201 /nfs/dbraw/zinc/73/02/01/626730201.db2.gz WBKIPFHNJILJLQ-UONOGXRCSA-N 0 3 270.380 3.273 20 30 CGEDHN C#CCN(Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000756912082 626741165 /nfs/dbraw/zinc/74/11/65/626741165.db2.gz VCMRZLDISLTDBO-UHFFFAOYSA-N 0 3 272.348 3.281 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000839592551 626763886 /nfs/dbraw/zinc/76/38/86/626763886.db2.gz MRUIRJRPJXXVDE-NSHDSACASA-N 0 3 290.835 3.268 20 30 CGEDHN C#CCN(Cc1cnc2ccccn12)C1CCCCC1 ZINC000759331166 626888360 /nfs/dbraw/zinc/88/83/60/626888360.db2.gz WTEWLKICXLXUKF-UHFFFAOYSA-N 0 3 267.376 3.102 20 30 CGEDHN C=C(Cl)CN[C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000761312575 627031714 /nfs/dbraw/zinc/03/17/14/627031714.db2.gz IIDGBFTZQMYDFF-OAHLLOKOSA-N 0 3 278.827 3.382 20 30 CGEDHN Cc1cc(Br)ccc1N=NC1C[C@@H](C)N(C)C1 ZINC000761808694 627062225 /nfs/dbraw/zinc/06/22/25/627062225.db2.gz DNDZATSANVPTOR-SNVBAGLBSA-N 0 3 296.212 3.249 20 30 CGEDHN C#CCCOc1ccc(CN[C@@H](C#C)C(C)(C)C)cc1 ZINC000809781103 627103767 /nfs/dbraw/zinc/10/37/67/627103767.db2.gz HOHAZFVVJIOPCT-KRWDZBQOSA-N 0 3 269.388 3.226 20 30 CGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H](C2CC2)C1 ZINC000764484185 627209334 /nfs/dbraw/zinc/20/93/34/627209334.db2.gz ISGXFUKVMCMYJB-ZDUSSCGKSA-N 0 3 290.794 3.474 20 30 CGEDHN C#CCCCN(C)Cc1cc(Br)ccc1OC ZINC000766894360 627367851 /nfs/dbraw/zinc/36/78/51/627367851.db2.gz BPVIRNWSHRNRFN-UHFFFAOYSA-N 0 3 296.208 3.303 20 30 CGEDHN Cc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1C#N ZINC000767692393 627429351 /nfs/dbraw/zinc/42/93/51/627429351.db2.gz FTTBGMIWHSTXKW-UHFFFAOYSA-N 0 3 297.377 3.362 20 30 CGEDHN C=CCN(Cc1cccc2c1OCCCO2)C(C)C ZINC000768547931 627486357 /nfs/dbraw/zinc/48/63/57/627486357.db2.gz UFRZXWCUKHCNSJ-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN C#CCN(CC)Cc1sc2nc(C)nc(C)c2c1C ZINC000769111313 627523343 /nfs/dbraw/zinc/52/33/43/627523343.db2.gz MEQPBPMUYFHWMO-UHFFFAOYSA-N 0 3 273.405 3.072 20 30 CGEDHN C#C[C@@H](C)N(C)CCOc1ccc(Cl)cc1Cl ZINC000769961049 627593196 /nfs/dbraw/zinc/59/31/96/627593196.db2.gz NCZUHBJQCSIOAE-SNVBAGLBSA-N 0 3 272.175 3.326 20 30 CGEDHN C#C[C@H](C)N(C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000769977301 627594389 /nfs/dbraw/zinc/59/43/89/627594389.db2.gz FOHKGBCAODQGAI-HNNXBMFYSA-N 0 3 289.382 3.455 20 30 CGEDHN C=CCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772708170 627816788 /nfs/dbraw/zinc/81/67/88/627816788.db2.gz CVYVEFSSTVLBMX-UHFFFAOYSA-N 0 3 273.376 3.018 20 30 CGEDHN C=CCC[C@H](NCc1ccnn1C)c1ccccc1 ZINC000772855800 627829248 /nfs/dbraw/zinc/82/92/48/627829248.db2.gz BCOMBAALMXQPDS-INIZCTEOSA-N 0 3 255.365 3.217 20 30 CGEDHN C#C[C@@H](C)N(C)CCc1cc(Cl)cc(Cl)c1 ZINC000773893714 627925870 /nfs/dbraw/zinc/92/58/70/627925870.db2.gz CIFIDFABZZTPRN-SNVBAGLBSA-N 0 3 256.176 3.489 20 30 CGEDHN C#CCN(C[C@H]1CCC=CO1)[C@H]1CCc2ccccc21 ZINC000774816325 628034554 /nfs/dbraw/zinc/03/45/54/628034554.db2.gz ZNZSAZZIAXEZER-AEFFLSMTSA-N 0 3 267.372 3.302 20 30 CGEDHN CC(=O)Oc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000775159766 628067684 /nfs/dbraw/zinc/06/76/84/628067684.db2.gz FBTNCPHDBLTAKK-CYBMUJFWSA-N 0 3 294.354 3.334 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775269693 628076758 /nfs/dbraw/zinc/07/67/58/628076758.db2.gz IEJALLGRUOJLCZ-LSDHHAIUSA-N 0 3 284.403 3.266 20 30 CGEDHN C#C[C@H](N[C@H](CCC)c1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000775571311 628108339 /nfs/dbraw/zinc/10/83/39/628108339.db2.gz FCNHIZQXSBXBTL-KSZLIROESA-N 0 3 287.403 3.307 20 30 CGEDHN C#C[C@H](N[C@H]1CCCc2ccc(C)cc21)[C@@H]1CCCO1 ZINC000775572715 628108827 /nfs/dbraw/zinc/10/88/27/628108827.db2.gz UDCYYPBOANXNIU-BZSNNMDCSA-N 0 3 269.388 3.143 20 30 CGEDHN CC[C@H](C(=O)Nc1cc(C#N)c(F)cc1C)N(CC)CC ZINC000874900903 634647039 /nfs/dbraw/zinc/64/70/39/634647039.db2.gz XGJJIJKZOJTCPY-OAHLLOKOSA-N 0 3 291.370 3.065 20 30 CGEDHN C#CCCCCNCc1c(Cl)cccc1OCC#C ZINC000778175787 628331562 /nfs/dbraw/zinc/33/15/62/628331562.db2.gz BEZBKWPJTMMUNG-UHFFFAOYSA-N 0 3 275.779 3.245 20 30 CGEDHN CCCCCCCCN1C[C@@H](C)O[C@@H](COC)C1 ZINC000784367857 628810289 /nfs/dbraw/zinc/81/02/89/628810289.db2.gz CPJOEOBQMIFGCK-HUUCEWRRSA-N 0 3 257.418 3.083 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000785617059 628874836 /nfs/dbraw/zinc/87/48/36/628874836.db2.gz HSILAQYSKSWFCE-SFHVURJKSA-N 0 3 290.366 3.270 20 30 CGEDHN C=CCN1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826815 628983803 /nfs/dbraw/zinc/98/38/03/628983803.db2.gz KNYIUQCTLYGIFL-HNNXBMFYSA-N 0 3 280.412 3.086 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(OC)c(Cl)c1 ZINC000787997672 629038563 /nfs/dbraw/zinc/03/85/63/629038563.db2.gz ORWWCBKBDRKNTG-UHFFFAOYSA-N 0 3 251.757 3.192 20 30 CGEDHN CCN(CC)c1ccc(C=NNCCc2ccncc2)cc1 ZINC000789094511 629104508 /nfs/dbraw/zinc/10/45/08/629104508.db2.gz PEOQMTMRWWRZNE-UHFFFAOYSA-N 0 3 296.418 3.094 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000862441584 629374624 /nfs/dbraw/zinc/37/46/24/629374624.db2.gz UBHGJAPTRLXVTB-GFCCVEGCSA-N 0 3 250.773 3.441 20 30 CGEDHN C=C(CN[C@@H](C)c1cc(C)nn1C)c1ccccc1 ZINC000793526290 629475887 /nfs/dbraw/zinc/47/58/87/629475887.db2.gz LXFKNTJZIRINNP-AWEZNQCLSA-N 0 3 255.365 3.093 20 30 CGEDHN Cc1ccc([C@H](C)NCc2cnc3ccc(C#N)cn23)s1 ZINC000793584854 629487044 /nfs/dbraw/zinc/48/70/44/629487044.db2.gz UDZISQGSPCRUOL-LBPRGKRZSA-N 0 3 296.399 3.427 20 30 CGEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)c1cnc(C)cn1 ZINC000793911768 629507390 /nfs/dbraw/zinc/50/73/90/629507390.db2.gz VDIQFTNARXJONW-NVXWUHKLSA-N 0 3 279.387 3.070 20 30 CGEDHN C#CCSCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794817815 629581094 /nfs/dbraw/zinc/58/10/94/629581094.db2.gz RCYPDVKLZUXPIK-CQSZACIVSA-N 0 3 263.406 3.108 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCC(F)(F)C1)c1nc2ccccc2[nH]1 ZINC000796619583 629806301 /nfs/dbraw/zinc/80/63/01/629806301.db2.gz PLHOOYKJANSVAK-ZJUUUORDSA-N 0 3 289.285 3.175 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](O)c1ccccc1C ZINC000796640555 629809231 /nfs/dbraw/zinc/80/92/31/629809231.db2.gz ZOSQCPKTXFTUDI-IBGZPJMESA-N 0 3 279.383 3.164 20 30 CGEDHN C[C@@H]1C(=O)CC[C@H]1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000796654849 629811396 /nfs/dbraw/zinc/81/13/96/629811396.db2.gz PHFCYJJGVKAOSJ-SRVKXCTJSA-N 0 3 296.326 3.009 20 30 CGEDHN C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)c2c1c(F)ccc2[O-] ZINC000797586927 629964528 /nfs/dbraw/zinc/96/45/28/629964528.db2.gz NNZYEDHHUDFCRO-JQWIXIFHSA-N 0 3 274.339 3.363 20 30 CGEDHN C#C[C@H](/N=C/c1ccc(N(CC)CC)cc1O)C(C)C ZINC000798343594 630046632 /nfs/dbraw/zinc/04/66/32/630046632.db2.gz KZJMGPUWVPJKHD-IQFISFIMSA-N 0 3 272.392 3.315 20 30 CGEDHN C#C[C@@H](/N=C/c1ccc(N(CC)CC)cc1O)C(C)C ZINC000798343597 630046737 /nfs/dbraw/zinc/04/67/37/630046737.db2.gz KZJMGPUWVPJKHD-YAJBTMAUSA-N 0 3 272.392 3.315 20 30 CGEDHN C#CCCCNCc1ncc(Br)cc1Cl ZINC000865477438 630141753 /nfs/dbraw/zinc/14/17/53/630141753.db2.gz CZWNNBCMXDHTOT-UHFFFAOYSA-N 0 3 287.588 3.001 20 30 CGEDHN C[C@@H](C#N)OCCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000801924006 630367782 /nfs/dbraw/zinc/36/77/82/630367782.db2.gz PTPBPRCFLACWHO-WWGRRREGSA-N 0 3 276.355 3.137 20 30 CGEDHN CC[C@H](NCCO[C@H](C)C#N)c1ccccc1OC(F)F ZINC000801937786 630370515 /nfs/dbraw/zinc/37/05/15/630370515.db2.gz WJHSEFYFXYDQMV-YPMHNXCESA-N 0 3 298.333 3.257 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OCC)c(F)c2)cc1 ZINC000809614920 630761811 /nfs/dbraw/zinc/76/18/11/630761811.db2.gz XHIDVYZOKWLEGB-UHFFFAOYSA-N 0 3 283.346 3.496 20 30 CGEDHN C#C[C@H](NCc1cccc(OCC(F)(F)F)c1)C(C)C ZINC000809685174 630780893 /nfs/dbraw/zinc/78/08/93/630780893.db2.gz DEAFJGMNSWDVFB-AWEZNQCLSA-N 0 3 285.309 3.375 20 30 CGEDHN C#C[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000809685918 630781862 /nfs/dbraw/zinc/78/18/62/630781862.db2.gz ZMFWFRGPRZUUTR-CYBMUJFWSA-N 0 3 296.208 3.211 20 30 CGEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccccc1F)C(C)(C)C ZINC000809780943 630805462 /nfs/dbraw/zinc/80/54/62/630805462.db2.gz BAIVRLWDWKTVRN-OAHLLOKOSA-N 0 3 285.366 3.353 20 30 CGEDHN C#C[C@H](N[C@H](C)C[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000811517299 631081481 /nfs/dbraw/zinc/08/14/81/631081481.db2.gz NQTVTXHYAWAWGY-IOASZLSFSA-N 0 3 277.795 3.419 20 30 CGEDHN Cc1cc(C)c([C@@H](C)NCc2ccc(C#N)cn2)c(O)c1 ZINC000815618720 631807589 /nfs/dbraw/zinc/80/75/89/631807589.db2.gz SIJIHDCEPXKSIV-CYBMUJFWSA-N 0 3 281.359 3.127 20 30 CGEDHN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1C ZINC000816649245 632036736 /nfs/dbraw/zinc/03/67/36/632036736.db2.gz WHCSEAZSBDMZSC-CABCVRRESA-N 0 3 294.402 3.304 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000879518713 635802416 /nfs/dbraw/zinc/80/24/16/635802416.db2.gz UZJMIGUVZZBHPX-RHSMWYFYSA-N 0 3 288.435 3.396 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(-c2ccccc2)c1 ZINC000818355391 632312976 /nfs/dbraw/zinc/31/29/76/632312976.db2.gz DVPDLRLSMVMDIC-IJEWVQPXSA-N 0 3 280.375 3.215 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(OC)c1OC ZINC000866342082 633088858 /nfs/dbraw/zinc/08/88/58/633088858.db2.gz RDIMXGREVAXBLB-NFAWXSAZSA-N 0 3 288.391 3.437 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@H](N[C@@H]1CCCc3scnc31)C2 ZINC000866617019 633216307 /nfs/dbraw/zinc/21/63/07/633216307.db2.gz WWYBNXJNVUXHLV-HUUCEWRRSA-N 0 3 295.411 3.149 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(O[C@H](C)CC)cc1 ZINC000876608505 634866966 /nfs/dbraw/zinc/86/69/66/634866966.db2.gz BKBWPLLOHAGGHR-BXUZGUMPSA-N 0 3 296.798 3.272 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000876593203 634864386 /nfs/dbraw/zinc/86/43/86/634864386.db2.gz XSXWENXZCATOOP-KGLIPLIRSA-N 0 3 284.831 3.028 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1F)C(C)C ZINC000876593973 634864452 /nfs/dbraw/zinc/86/44/52/634864452.db2.gz OKSKPIOFKMVFHJ-CQSZACIVSA-N 0 3 298.789 3.033 20 30 CGEDHN C#C[C@@H](NCc1c(Cl)cccc1CC)C1CCOCC1 ZINC000827560584 633498590 /nfs/dbraw/zinc/49/85/90/633498590.db2.gz SADNMOXOHRJFNX-QGZVFWFLSA-N 0 3 291.822 3.420 20 30 CGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000829773132 633780178 /nfs/dbraw/zinc/78/01/78/633780178.db2.gz BANFWEZTVOGGAG-JKSUJKDBSA-N 0 3 284.403 3.057 20 30 CGEDHN C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000872139940 634063399 /nfs/dbraw/zinc/06/33/99/634063399.db2.gz SYEUNYKCEJZVIH-BPLDGKMQSA-N 0 3 255.361 3.161 20 30 CGEDHN N#Cc1cccc(CN2CCC3(CCCC3)CC2)n1 ZINC000876689630 634882134 /nfs/dbraw/zinc/88/21/34/634882134.db2.gz IBIHBJRVKMFOLW-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCc3ccccc3C2)c1 ZINC000876894063 634922561 /nfs/dbraw/zinc/92/25/61/634922561.db2.gz OQQFADSQFRIZOH-MRXNPFEDSA-N 0 3 297.789 3.254 20 30 CGEDHN C[C@H](Cc1ccsc1)NCc1cc(C#N)cnc1Cl ZINC000876959603 634937694 /nfs/dbraw/zinc/93/76/94/634937694.db2.gz VSMQZKVNEOLLED-SNVBAGLBSA-N 0 3 291.807 3.389 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC[C@H]2Cc3ccccc32)c1 ZINC000877016540 634951775 /nfs/dbraw/zinc/95/17/75/634951775.db2.gz NSMAGFGMJBQKJY-CYBMUJFWSA-N 0 3 283.762 3.036 20 30 CGEDHN CCSCC[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877064458 634968240 /nfs/dbraw/zinc/96/82/40/634968240.db2.gz SSYKGDLFDBOYDZ-SNVBAGLBSA-N 0 3 283.828 3.228 20 30 CGEDHN C#CCCCCCCNCc1ncc(CC)s1 ZINC000877071352 634971278 /nfs/dbraw/zinc/97/12/78/634971278.db2.gz KWMKHEFTBXKHHG-UHFFFAOYSA-N 0 3 250.411 3.379 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000877304090 635021135 /nfs/dbraw/zinc/02/11/35/635021135.db2.gz SMDVSRYEMXTVSQ-UHFFFAOYSA-N 0 3 292.448 3.116 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CC[C@H](C)O2)c([O-])c1 ZINC000840710031 635038898 /nfs/dbraw/zinc/03/88/98/635038898.db2.gz NSLLMQFJDNHVFP-GDXANTJSSA-N 0 3 290.407 3.225 20 30 CGEDHN C=CCCCCC[C@@H](C)NCc1cc(OC)no1 ZINC000877635572 635125027 /nfs/dbraw/zinc/12/50/27/635125027.db2.gz XAGIPJGERLVVJU-GFCCVEGCSA-N 0 3 252.358 3.298 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CN1CCC(CCF)CC1 ZINC000877675148 635142534 /nfs/dbraw/zinc/14/25/34/635142534.db2.gz WWFSCNWRNMDZEV-UHFFFAOYSA-N 0 3 289.398 3.196 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1ccc(Cl)o1 ZINC000877704076 635155613 /nfs/dbraw/zinc/15/56/13/635155613.db2.gz HILGHJWHVYPTAZ-UHFFFAOYSA-N 0 3 274.751 3.479 20 30 CGEDHN Cc1nc(F)ccc1CN(C)CCc1cccc(C#N)c1 ZINC000877704687 635157108 /nfs/dbraw/zinc/15/71/08/635157108.db2.gz MALBHLXREUJLLI-UHFFFAOYSA-N 0 3 283.350 3.075 20 30 CGEDHN CC(C)n1cc(CN(C)CCc2cccc(C#N)c2)cn1 ZINC000877704520 635157336 /nfs/dbraw/zinc/15/73/36/635157336.db2.gz PUVIXRIQYVVKNB-UHFFFAOYSA-N 0 3 282.391 3.010 20 30 CGEDHN C=CCNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841637531 635204802 /nfs/dbraw/zinc/20/48/02/635204802.db2.gz ISUIZEZEGPVVNL-KRWDZBQOSA-N 0 3 269.392 3.118 20 30 CGEDHN C#CCCCCCCN1CCO[C@H](C(F)(F)F)CC1 ZINC000877821211 635225508 /nfs/dbraw/zinc/22/55/08/635225508.db2.gz LYTWFZUAZMTYMB-ZDUSSCGKSA-N 0 3 277.330 3.223 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(F)nc1 ZINC000841894154 635248379 /nfs/dbraw/zinc/24/83/79/635248379.db2.gz OWYSJSRLXVMEHG-INIZCTEOSA-N 0 3 281.334 3.260 20 30 CGEDHN C=CC[C@@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000877939343 635280681 /nfs/dbraw/zinc/28/06/81/635280681.db2.gz VWKADWQZKLWUEK-GFCCVEGCSA-N 0 3 261.365 3.027 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C2CC2)cc1 ZINC000878002250 635314925 /nfs/dbraw/zinc/31/49/25/635314925.db2.gz RTHADHQJWXVRTE-WDSOQIARSA-N 0 3 296.414 3.480 20 30 CGEDHN C=CC1CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878092945 635352163 /nfs/dbraw/zinc/35/21/63/635352163.db2.gz AJCMOMDTCBHNMQ-IBGZPJMESA-N 0 3 296.414 3.325 20 30 CGEDHN C=CC[C@H](C)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000878541102 635550071 /nfs/dbraw/zinc/55/00/71/635550071.db2.gz KSRGGBVIZYJQBE-JQWIXIFHSA-N 0 3 289.297 3.173 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000843423289 635666914 /nfs/dbraw/zinc/66/69/14/635666914.db2.gz BZKQDNWHGOQAAF-GFCCVEGCSA-N 0 3 260.406 3.256 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000843424334 635668102 /nfs/dbraw/zinc/66/81/02/635668102.db2.gz SBROUDQXTYMWIR-AWEZNQCLSA-N 0 3 272.348 3.139 20 30 CGEDHN C=C(Br)CNC[C@H]1C[C@@H]1c1ccccc1 ZINC000127618526 635741280 /nfs/dbraw/zinc/74/12/80/635741280.db2.gz ZMQBRISEPHVCAQ-CHWSQXEVSA-N 0 3 266.182 3.288 20 30 CGEDHN CN(CC[C@@H]1CCCC1(F)F)[C@H]1CCC[C@@H]1C#N ZINC000879309498 635752595 /nfs/dbraw/zinc/75/25/95/635752595.db2.gz NUSWLOSIBOWSID-AGIUHOORSA-N 0 3 256.340 3.436 20 30 CGEDHN N#Cc1cccc(CNC2([C@H]3CCCCO3)CCC2)c1F ZINC000879734222 635846325 /nfs/dbraw/zinc/84/63/25/635846325.db2.gz FSVKAQGNHDRDNK-OAHLLOKOSA-N 0 3 288.366 3.279 20 30 CGEDHN C[C@@H](C#N)OCCNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000844462869 635909556 /nfs/dbraw/zinc/90/95/56/635909556.db2.gz PWQBHHWFIUIMHT-NSHDSACASA-N 0 3 298.308 3.213 20 30 CGEDHN C#CCC1(O)CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000880484538 636009087 /nfs/dbraw/zinc/00/90/87/636009087.db2.gz ZJELBSFLLWYGKM-MRXNPFEDSA-N 0 3 289.806 3.178 20 30 CGEDHN C=CCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876741 636113008 /nfs/dbraw/zinc/11/30/08/636113008.db2.gz OEQPLTOSKCNSIZ-XHDPSFHLSA-N 0 3 295.310 3.432 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccc(OC)cc2F)C1 ZINC000845987857 636127223 /nfs/dbraw/zinc/12/72/23/636127223.db2.gz MFQSLBLBPGSAEA-ZDUSSCGKSA-N 0 3 261.340 3.070 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)CCCC1 ZINC000846011692 636129194 /nfs/dbraw/zinc/12/91/94/636129194.db2.gz XPUJJBQUNCDHIM-UPJWGTAASA-N 0 3 282.478 3.040 20 30 CGEDHN C=CCCC[C@@H](N[C@@H](C)C(=O)NCC)c1ccccc1 ZINC000883167440 636563761 /nfs/dbraw/zinc/56/37/61/636563761.db2.gz YPDFDKOXISGIOZ-GOEBONIOSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCCC[C@@H](N[C@H](C)C(=O)NCC)c1ccccc1 ZINC000883167439 636563950 /nfs/dbraw/zinc/56/39/50/636563950.db2.gz YPDFDKOXISGIOZ-GDBMZVCRSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCC[C@H](NCc1cn2c(cccc2C)n1)[C@H]1CCCO1 ZINC000883188226 636573485 /nfs/dbraw/zinc/57/34/85/636573485.db2.gz HBEDHXPRZQILPG-DLBZAZTESA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)NCc1ccon1 ZINC000883194989 636577751 /nfs/dbraw/zinc/57/77/51/636577751.db2.gz IEKXUFPJBJAGNJ-OAHLLOKOSA-N 0 3 256.349 3.342 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)NCc1ccon1 ZINC000883194988 636578330 /nfs/dbraw/zinc/57/83/30/636578330.db2.gz IEKXUFPJBJAGNJ-HNNXBMFYSA-N 0 3 256.349 3.342 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000848924145 636695205 /nfs/dbraw/zinc/69/52/05/636695205.db2.gz OPPQFPLNSJSDRI-HNNXBMFYSA-N 0 3 273.424 3.100 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1 ZINC000848925589 636697142 /nfs/dbraw/zinc/69/71/42/636697142.db2.gz XNODRKGDCIARCW-IBGZPJMESA-N 0 3 299.414 3.232 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000883392145 636737280 /nfs/dbraw/zinc/73/72/80/636737280.db2.gz AYYPWOFSTXEGFA-WCQYABFASA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000883392636 636738462 /nfs/dbraw/zinc/73/84/62/636738462.db2.gz LQILRJWRFUURMS-YPMHNXCESA-N 0 3 283.799 3.332 20 30 CGEDHN COc1ccc(CNN=C(C)c2c(C)cc(N)cc2C)cc1 ZINC000884419561 637023331 /nfs/dbraw/zinc/02/33/31/637023331.db2.gz UXNLDHBWIWRXNZ-UHFFFAOYSA-N 0 3 297.402 3.408 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC1(C)C ZINC000850739155 637135937 /nfs/dbraw/zinc/13/59/37/637135937.db2.gz SWTCXTXLMHORIX-NWDGAFQWSA-N 0 3 281.359 3.186 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000886046601 637385654 /nfs/dbraw/zinc/38/56/54/637385654.db2.gz JWNGRVAMCKEQTB-CHWSQXEVSA-N 0 3 292.810 3.435 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886104646 637414439 /nfs/dbraw/zinc/41/44/39/637414439.db2.gz HMNFGXFLJIDBMW-YPMHNXCESA-N 0 3 294.345 3.060 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(F)c1F ZINC000886114862 637421659 /nfs/dbraw/zinc/42/16/59/637421659.db2.gz ZDPDFAGRHHXSPL-NEPJUHHUSA-N 0 3 294.345 3.060 20 30 CGEDHN C#CC[C@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000886365961 637515816 /nfs/dbraw/zinc/51/58/16/637515816.db2.gz UHKLVVLZTPXFQQ-LBPRGKRZSA-N 0 3 256.374 3.142 20 30 CGEDHN C#CCOCCN[C@H](CC(F)(F)F)c1ccccc1C ZINC000851989994 637565416 /nfs/dbraw/zinc/56/54/16/637565416.db2.gz MYXYVLGRJFNICP-CQSZACIVSA-N 0 3 285.309 3.228 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CC[C@H](OC)C1 ZINC000852041200 637576871 /nfs/dbraw/zinc/57/68/71/637576871.db2.gz RHJYPHPSEKREDR-IRXDYDNUSA-N 0 3 291.439 3.410 20 30 CGEDHN C#CCOCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000852207369 637616591 /nfs/dbraw/zinc/61/65/91/637616591.db2.gz GDMPKCDTTFXDGH-QGZVFWFLSA-N 0 3 267.372 3.030 20 30 CGEDHN CN(C)c1cc(CNC(C)(C)c2cccc(C#N)c2)ccn1 ZINC000852353199 637640390 /nfs/dbraw/zinc/64/03/90/637640390.db2.gz DHCJBYBLKDESKL-UHFFFAOYSA-N 0 3 294.402 3.044 20 30 CGEDHN CC(C)[C@@H](NCCO[C@H](C)C#N)c1ccccc1F ZINC000852445661 637653008 /nfs/dbraw/zinc/65/30/08/637653008.db2.gz ARIAXMSXWYQWJS-IUODEOHRSA-N 0 3 264.344 3.041 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccccn2)CCC1 ZINC000852565264 637679701 /nfs/dbraw/zinc/67/97/01/637679701.db2.gz FQIOHSQMXMLTJV-ZBFHGGJFSA-N 0 3 269.392 3.076 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1c(F)cccc1F ZINC000852686436 637695827 /nfs/dbraw/zinc/69/58/27/637695827.db2.gz VIFHYZKOZCVWRI-TYNCELHUSA-N 0 3 279.330 3.181 20 30 CGEDHN COc1ccc2c(c1)nccc2N1CCC[C@@H](CC#N)C1 ZINC000853761461 637911260 /nfs/dbraw/zinc/91/12/60/637911260.db2.gz OHPNFXDMBKVOBG-ZDUSSCGKSA-N 0 3 281.359 3.373 20 30 CGEDHN CCCCCCCC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000855166471 638150837 /nfs/dbraw/zinc/15/08/37/638150837.db2.gz KAGNUCPGVWMNOZ-CQSZACIVSA-N 0 3 268.445 3.336 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000855436380 638197109 /nfs/dbraw/zinc/19/71/09/638197109.db2.gz ABPORNJELLIKKO-YOEHRIQHSA-N 0 3 296.430 3.014 20 30 CGEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000113336416 638200542 /nfs/dbraw/zinc/20/05/42/638200542.db2.gz ZKPIIHZSJALFAN-CQSZACIVSA-N 0 3 281.355 3.255 20 30 CGEDHN CCCCCCCN[C@H](C)c1cn(C(C)C)nn1 ZINC000925701768 638571820 /nfs/dbraw/zinc/57/18/20/638571820.db2.gz FKPJEWIZRPPDPD-CYBMUJFWSA-N 0 3 252.406 3.480 20 30 CGEDHN C#CCCCNCc1cc(C)c(F)cc1Br ZINC000858147680 638643213 /nfs/dbraw/zinc/64/32/13/638643213.db2.gz XKESZNGWIAXGIL-UHFFFAOYSA-N 0 3 284.172 3.400 20 30 CGEDHN C#CC[C@@H](COC)NCc1cc2cccc(CC)c2o1 ZINC000858335033 638685505 /nfs/dbraw/zinc/68/55/05/638685505.db2.gz UUTQNEFZDQFQRV-HNNXBMFYSA-N 0 3 271.360 3.123 20 30 CGEDHN C=CCC[C@H](N[C@H]1CC=C(C(=O)OC)C1)c1ccco1 ZINC000858471755 638728357 /nfs/dbraw/zinc/72/83/57/638728357.db2.gz FADYPDFVDIYCES-KBPBESRZSA-N 0 3 275.348 3.138 20 30 CGEDHN C=C(C)[C@H](N[C@H]1COC[C@H]1C)c1ccc(F)c(F)c1 ZINC000926207552 638740269 /nfs/dbraw/zinc/74/02/69/638740269.db2.gz VIMTUNFFXRJCKT-ONERCXAPSA-N 0 3 267.319 3.207 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926344789 638764692 /nfs/dbraw/zinc/76/46/92/638764692.db2.gz YHJPLRPSSUYMFI-HSMVNMDESA-N 0 3 279.355 3.163 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1cc(O)cc(F)c1 ZINC000926570857 638786496 /nfs/dbraw/zinc/78/64/96/638786496.db2.gz ZRNFQUVQFIYMTI-JTQLQIEISA-N 0 3 250.317 3.122 20 30 CGEDHN C[C@H]([NH2+]CC(C)(C)CC#N)c1cc([O-])cc(F)c1 ZINC000926570857 638786498 /nfs/dbraw/zinc/78/64/98/638786498.db2.gz ZRNFQUVQFIYMTI-JTQLQIEISA-N 0 3 250.317 3.122 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Br)n1 ZINC000926616548 638791400 /nfs/dbraw/zinc/79/14/00/638791400.db2.gz TVKYTBBFFUEAGS-GARJFASQSA-N 0 3 294.196 3.187 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Br)n1 ZINC000926616549 638791515 /nfs/dbraw/zinc/79/15/15/638791515.db2.gz TVKYTBBFFUEAGS-OUAUKWLOSA-N 0 3 294.196 3.187 20 30 CGEDHN COc1c(C)cccc1CN[C@@H](C)CC(C)(C)C#N ZINC000926663539 638795804 /nfs/dbraw/zinc/79/58/04/638795804.db2.gz LYAJDBDLIHNKFG-ZDUSSCGKSA-N 0 3 260.381 3.422 20 30 CGEDHN C=CCCCCCN[C@H](C)c1cn(C(C)C)nn1 ZINC000926666067 638796264 /nfs/dbraw/zinc/79/62/64/638796264.db2.gz PCBQLVCMDBPXKK-CYBMUJFWSA-N 0 3 250.390 3.256 20 30 CGEDHN C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cc([O-])cc(F)c1 ZINC000926810277 638814663 /nfs/dbraw/zinc/81/46/63/638814663.db2.gz BZNQUUGRSVWTKO-DIFFPNOSSA-N 0 3 296.345 3.221 20 30 CGEDHN C[C@@H](NC[C@H]1CCCC2(CCC2)O1)c1cc(C#N)ccn1 ZINC000927013723 638831732 /nfs/dbraw/zinc/83/17/32/638831732.db2.gz YHBCNDKIQWDYSS-UKRRQHHQSA-N 0 3 285.391 3.096 20 30 CGEDHN Cc1ccc(NCCN[C@H](C)c2ccc(C#N)cc2F)nc1 ZINC000927073840 638838508 /nfs/dbraw/zinc/83/85/08/638838508.db2.gz RXMLAVIRVDTCBH-CYBMUJFWSA-N 0 3 298.365 3.164 20 30 CGEDHN C=CCC[C@H](CCC)NCc1nc2c(s1)COCC2 ZINC000927119323 638844758 /nfs/dbraw/zinc/84/47/58/638844758.db2.gz ZYGDCDHEECCSIH-LBPRGKRZSA-N 0 3 280.437 3.440 20 30 CGEDHN N#CC[C@@H](O)CN(Cc1ccc2ccccc2c1)C1CC1 ZINC000929341572 638919760 /nfs/dbraw/zinc/91/97/60/638919760.db2.gz QXOMJUPLPPSOOR-GOSISDBHSA-N 0 3 280.371 3.079 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN(C)[C@H](CO)c1ccccc1 ZINC000929506333 638929392 /nfs/dbraw/zinc/92/93/92/638929392.db2.gz ZAOLVZFZAOOTNZ-LJQANCHMSA-N 0 3 294.398 3.341 20 30 CGEDHN CCS[C@H]1CCCCN(Cc2cncc(C#N)c2)C1 ZINC000929624610 638935393 /nfs/dbraw/zinc/93/53/93/638935393.db2.gz RTMTVDYXEKYBKP-HNNXBMFYSA-N 0 3 275.421 3.061 20 30 CGEDHN N#Cc1cncc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000929676375 638939953 /nfs/dbraw/zinc/93/99/53/638939953.db2.gz ORKAEQKLWJOFQM-HNNXBMFYSA-N 0 3 295.361 3.157 20 30 CGEDHN Cc1cccc(C(C)(C)NCc2cncc(C#N)c2)c1 ZINC000930221646 638984062 /nfs/dbraw/zinc/98/40/62/638984062.db2.gz KNEKKJAXAUKPMI-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@H]1CCN1C1CCCC1 ZINC000858779571 639020626 /nfs/dbraw/zinc/02/06/26/639020626.db2.gz AREZVEQEBBBNNF-MRXNPFEDSA-N 0 3 297.402 3.190 20 30 CGEDHN CC[C@@H]1CN(CCCCC2(C#N)CCC2)[C@H](C)CO1 ZINC000930851904 639075650 /nfs/dbraw/zinc/07/56/50/639075650.db2.gz KQYMJTYUFUVHBQ-HUUCEWRRSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C)c2snnc2C)C1 ZINC000930963760 639091802 /nfs/dbraw/zinc/09/18/02/639091802.db2.gz XOLLDWJDEHYUSX-RYUDHWBXSA-N 0 3 251.399 3.196 20 30 CGEDHN CN(CCCCC1(C#N)CCC1)[C@H]1CCC[C@@H]1C#N ZINC000931473869 639157418 /nfs/dbraw/zinc/15/74/18/639157418.db2.gz BXHORUBICIUMHI-CABCVRRESA-N 0 3 259.397 3.475 20 30 CGEDHN N#Cc1cc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)ccc1F ZINC000931933445 639237108 /nfs/dbraw/zinc/23/71/08/639237108.db2.gz PDDULRPLRNEHCD-MJGOQNOKSA-N 0 3 292.357 3.471 20 30 CGEDHN N#CC1CCC(CN2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000932073643 639258423 /nfs/dbraw/zinc/25/84/23/639258423.db2.gz RDJFJDZHMMRQPZ-MCIGGMRASA-N 0 3 292.370 3.296 20 30 CGEDHN CC(C)(C)OC1CC(N2CCc3c(CC#N)cccc3C2)C1 ZINC000860109390 639283612 /nfs/dbraw/zinc/28/36/12/639283612.db2.gz RFELDVRLJHZMKL-UHFFFAOYSA-N 0 3 298.430 3.457 20 30 CGEDHN C=C(C)CCN1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932655483 639372588 /nfs/dbraw/zinc/37/25/88/639372588.db2.gz HKUQJVRMVZJBIY-UHFFFAOYSA-N 0 3 293.329 3.160 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933242372 639430006 /nfs/dbraw/zinc/43/00/06/639430006.db2.gz WBTGDVYOVGSGRH-GWCFXTLKSA-N 0 3 286.297 3.021 20 30 CGEDHN CN(CCCOCC(F)(F)F)Cc1cc(C#N)cs1 ZINC000933777267 639488783 /nfs/dbraw/zinc/48/87/83/639488783.db2.gz ISXOSYULFPDNHA-UHFFFAOYSA-N 0 3 292.326 3.021 20 30 CGEDHN C[C@@H](Cc1cccnc1)NCc1ccc(Cl)cc1C#N ZINC000934233625 639564826 /nfs/dbraw/zinc/56/48/26/639564826.db2.gz KSTWSENKFJPIRB-LBPRGKRZSA-N 0 3 285.778 3.327 20 30 CGEDHN C=CCCCN(CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000934645041 639648756 /nfs/dbraw/zinc/64/87/56/639648756.db2.gz MMODDYAIKOELPF-UHFFFAOYSA-N 0 3 288.351 3.259 20 30 CGEDHN C=C(Br)CN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934837141 639686513 /nfs/dbraw/zinc/68/65/13/639686513.db2.gz RONSZWHQIVCKKC-CHWSQXEVSA-N 0 3 288.229 3.034 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2CCC(C)(C)CC2)CC1 ZINC001006458625 640317799 /nfs/dbraw/zinc/31/77/99/640317799.db2.gz FQYAOKYAOLAOIY-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN COc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192915991 640418009 /nfs/dbraw/zinc/41/80/09/640418009.db2.gz KZAWYDNVXGFVNX-CQSZACIVSA-N 0 3 296.370 3.448 20 30 CGEDHN C#CCN(CCOCC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000194308584 640525531 /nfs/dbraw/zinc/52/55/31/640525531.db2.gz LPDCIRJGBSSTDO-HNNXBMFYSA-N 0 3 297.320 3.188 20 30 CGEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CC2 ZINC000092836363 640746572 /nfs/dbraw/zinc/74/65/72/640746572.db2.gz GZOIGJFWRPPJGB-GOSISDBHSA-N 0 3 278.355 3.344 20 30 CGEDHN CCc1cccc(NC(=[NH2+])NCc2ccc([O-])c(F)c2)c1 ZINC000304749619 640867760 /nfs/dbraw/zinc/86/77/60/640867760.db2.gz HTVUXARYOURFJV-UHFFFAOYSA-N 0 3 287.338 3.021 20 30 CGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016212216 640994280 /nfs/dbraw/zinc/99/42/80/640994280.db2.gz UAQFWLWKFASOBA-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCC1 ZINC001017409313 641012331 /nfs/dbraw/zinc/01/23/31/641012331.db2.gz WQCSDKJQIJLVTM-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001017912767 641018585 /nfs/dbraw/zinc/01/85/85/641018585.db2.gz FQDBUHAYKNHTFU-OAGGEKHMSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001019332654 641032930 /nfs/dbraw/zinc/03/29/30/641032930.db2.gz UPECOTWPPAGFJO-HOCLYGCPSA-N 0 3 292.448 3.041 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001155601145 805597369 /nfs/dbraw/zinc/59/73/69/805597369.db2.gz HNURXJVGLJRQMZ-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)CCCCCC ZINC001155924894 805626466 /nfs/dbraw/zinc/62/64/66/805626466.db2.gz WZFCQEWUCQRRBO-JKSUJKDBSA-N 0 3 280.456 3.053 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)CC(C)(C)C ZINC001157047552 805769556 /nfs/dbraw/zinc/76/95/56/805769556.db2.gz XEMKQYLYEXWGQR-OAHLLOKOSA-N 0 3 294.483 3.299 20 30 CGEDHN CCCCCCCC[C@H](O)CN[C@H](C)c1cncnc1 ZINC001252133173 806021281 /nfs/dbraw/zinc/02/12/81/806021281.db2.gz GXYFJRKOLQQTBA-ZBFHGGJFSA-N 0 3 279.428 3.239 20 30 CGEDHN C=CCC[C@H](O)CNCc1ccccc1OC(F)(F)F ZINC001252588640 806077877 /nfs/dbraw/zinc/07/78/77/806077877.db2.gz DRVUPDJMNDHWEX-LBPRGKRZSA-N 0 3 289.297 3.002 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)c1ccncc1 ZINC001252614481 806088920 /nfs/dbraw/zinc/08/89/20/806088920.db2.gz KHPPQYUMVQNHMT-QZTJIDSGSA-N 0 3 282.387 3.088 20 30 CGEDHN CCCCCCCCCC[C@H](O)CN1CC2(CN(C)C2)C1 ZINC001252983726 806146821 /nfs/dbraw/zinc/14/68/21/806146821.db2.gz YVDQTASPKNQLJD-KRWDZBQOSA-N 0 3 296.499 3.126 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C(F)=C2CCCC2)CC1 ZINC001159843874 806185826 /nfs/dbraw/zinc/18/58/26/806185826.db2.gz SMIFTCYSUGOAJH-UHFFFAOYSA-N 0 3 292.398 3.108 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001160221640 806238573 /nfs/dbraw/zinc/23/85/73/806238573.db2.gz ICZZQSFRXHZOIW-NVXWUHKLSA-N 0 3 290.451 3.137 20 30 CGEDHN CC(C)[C@H](O)CN(CCC#N)C1CCCCCCC1 ZINC001253763388 806301204 /nfs/dbraw/zinc/30/12/04/806301204.db2.gz YBIZSIUFRSMRBI-MRXNPFEDSA-N 0 3 266.429 3.332 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001160927140 806323777 /nfs/dbraw/zinc/32/37/77/806323777.db2.gz AQJSXNIMWJORGL-INIZCTEOSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2(C)CCCCC2)CC1 ZINC001161090498 806347323 /nfs/dbraw/zinc/34/73/23/806347323.db2.gz VMNQUBHWYCWAMH-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001161126059 806352583 /nfs/dbraw/zinc/35/25/83/806352583.db2.gz NQLMQUJMCHWJBG-YJBOKZPZSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001161771139 806451487 /nfs/dbraw/zinc/45/14/87/806451487.db2.gz IEFWUFRBKKMHEJ-OAHLLOKOSA-N 0 3 292.467 3.383 20 30 CGEDHN N#C[C@@H]1CC[C@H](NC2(c3ccccc3F)CCOCC2)C1 ZINC001254648381 806472954 /nfs/dbraw/zinc/47/29/54/806472954.db2.gz HQEFKXUPKYOOET-KGLIPLIRSA-N 0 3 288.366 3.113 20 30 CGEDHN COc1ccc(C2=CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254676993 806484485 /nfs/dbraw/zinc/48/44/85/806484485.db2.gz PJRWRSBVWMNTPK-YOEHRIQHSA-N 0 3 282.387 3.477 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)cc1 ZINC001254676836 806485442 /nfs/dbraw/zinc/48/54/42/806485442.db2.gz OGTRHBUQUYGLIM-XYJFISCASA-N 0 3 295.386 3.094 20 30 CGEDHN CC[C@H](CC#N)NCCN1CCC(Cc2ccccc2)CC1 ZINC001255152626 806554736 /nfs/dbraw/zinc/55/47/36/806554736.db2.gz ZHWRRFVGFPKDFU-LJQANCHMSA-N 0 3 299.462 3.223 20 30 CGEDHN CC(C)P(CCNc1nccnc1C#N)C(C)C ZINC001162357085 806564555 /nfs/dbraw/zinc/56/45/55/806564555.db2.gz BOVPZFJSCBTMOP-UHFFFAOYSA-N 0 3 264.313 3.059 20 30 CGEDHN CC[C@H](CC#N)N1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001255180295 806571971 /nfs/dbraw/zinc/57/19/71/806571971.db2.gz ZYHNBSSTYATKTC-GOSISDBHSA-N 0 3 297.446 3.277 20 30 CGEDHN N#CC1(CNc2cc(N3CCCCC3)ccn2)CCC1 ZINC001162410858 806579969 /nfs/dbraw/zinc/57/99/69/806579969.db2.gz GYXKWTRNUNGTLR-UHFFFAOYSA-N 0 3 270.380 3.178 20 30 CGEDHN C/C(=N\O)c1ccc(-n2c3ccccc3nc2[C@@H](C)N)cc1 ZINC001162778357 806664877 /nfs/dbraw/zinc/66/48/77/806664877.db2.gz JSPOKZYHQSHKTL-DIQJZJFNSA-N 0 3 294.358 3.243 20 30 CGEDHN N=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)cn1 ZINC001255690163 806707356 /nfs/dbraw/zinc/70/73/56/806707356.db2.gz SAOXFRGEHLBRBO-WCBMZHEXSA-N 0 3 289.276 3.047 20 30 CGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 ZINC000131465939 799028890 /nfs/dbraw/zinc/02/88/90/799028890.db2.gz WRLFVJWGYUCJHC-XHDPSFHLSA-N 0 3 284.359 3.257 20 30 CGEDHN N#CC1(c2ccccc2)CC(NCCOCC2CCCC2)C1 ZINC000313266797 799230858 /nfs/dbraw/zinc/23/08/58/799230858.db2.gz JTCKBCUOIQOQSU-UHFFFAOYSA-N 0 3 298.430 3.407 20 30 CGEDHN C#C[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)C(C)C ZINC000379669633 799353791 /nfs/dbraw/zinc/35/37/91/799353791.db2.gz DTLJEYSQTFVECF-AWEZNQCLSA-N 0 3 293.794 3.249 20 30 CGEDHN C=CCCCCCCNCc1cnn(C)c1Cl ZINC000712445933 800089491 /nfs/dbraw/zinc/08/94/91/800089491.db2.gz YALCNYGFYXDRRO-UHFFFAOYSA-N 0 3 255.793 3.300 20 30 CGEDHN CCCCCCCNCc1cn(C)nc1Br ZINC000712474613 800090663 /nfs/dbraw/zinc/09/06/63/800090663.db2.gz DDMDAEUZWOJQOM-UHFFFAOYSA-N 0 3 288.233 3.243 20 30 CGEDHN C=CCC[C@H](C)NCc1ncc(Br)s1 ZINC000714912725 800129651 /nfs/dbraw/zinc/12/96/51/800129651.db2.gz LYABQTNYJYHMCL-QMMMGPOBSA-N 0 3 275.215 3.350 20 30 CGEDHN C[C@@H]1CCC(C)(C)C[C@@H]1NCc1nc(C#N)cs1 ZINC000717439795 800202041 /nfs/dbraw/zinc/20/20/41/800202041.db2.gz RCELXRRAMSRKOA-PWSUYJOCSA-N 0 3 263.410 3.319 20 30 CGEDHN N#Cc1cccc(CN2CCC(F)(C3CC3)CC2)c1 ZINC000724834697 800367876 /nfs/dbraw/zinc/36/78/76/800367876.db2.gz FYVJHVYZFZDZBT-UHFFFAOYSA-N 0 3 258.340 3.272 20 30 CGEDHN C[C@@H](CNc1nc(Cl)c(C#N)s1)N1CCCC[C@@H]1C ZINC000804349126 800397265 /nfs/dbraw/zinc/39/72/65/800397265.db2.gz JAKMGOWLIXDUHA-UWVGGRQHSA-N 0 3 298.843 3.343 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)CC1(SC)CC1 ZINC000809555389 800446410 /nfs/dbraw/zinc/44/64/10/800446410.db2.gz HVIMAFXOYKRCLI-UHFFFAOYSA-N 0 3 263.381 3.157 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001022999171 800702794 /nfs/dbraw/zinc/70/27/94/800702794.db2.gz VBNREMIANVVYPO-JNCCQOAMSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001024410504 800725683 /nfs/dbraw/zinc/72/56/83/800725683.db2.gz GQLWMBXQKWHYNS-QGZVFWFLSA-N 0 3 290.451 3.424 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024503609 800729538 /nfs/dbraw/zinc/72/95/38/800729538.db2.gz ADTOQOJSRANJJK-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001028135442 800833579 /nfs/dbraw/zinc/83/35/79/800833579.db2.gz SBNVZWXAHZRPHJ-OAHLLOKOSA-N 0 3 298.430 3.118 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341327 800845225 /nfs/dbraw/zinc/84/52/25/800845225.db2.gz IDXRJKKXBZSPLE-CQSZACIVSA-N 0 3 290.407 3.173 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032953968 800945552 /nfs/dbraw/zinc/94/55/52/800945552.db2.gz SFEJDDYCJLAUOO-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001033096670 800952950 /nfs/dbraw/zinc/95/29/50/800952950.db2.gz BPOUVERENSBDHN-LLVKDONJSA-N 0 3 298.839 3.124 20 30 CGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033639556 800971693 /nfs/dbraw/zinc/97/16/93/800971693.db2.gz INAUFYUGUUQWKF-HNNXBMFYSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675547 800973197 /nfs/dbraw/zinc/97/31/97/800973197.db2.gz IXQXAVMNPNUSJO-PQUAAJSLSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034150626 801007379 /nfs/dbraw/zinc/00/73/79/801007379.db2.gz JJBGSSDNRYWDHR-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001034541013 801031664 /nfs/dbraw/zinc/03/16/64/801031664.db2.gz LNBHXJYLADCABK-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001038289417 801121952 /nfs/dbraw/zinc/12/19/52/801121952.db2.gz ZZOZKVQLEJQNIJ-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccccc1CC ZINC001038644872 801130382 /nfs/dbraw/zinc/13/03/82/801130382.db2.gz MPOTXBNXMVSSCY-MRXNPFEDSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001038910765 801136549 /nfs/dbraw/zinc/13/65/49/801136549.db2.gz AWACFAGWSJRUDE-CQSZACIVSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)CC ZINC001039820371 801166816 /nfs/dbraw/zinc/16/68/16/801166816.db2.gz FQMUHXWXXMSSEJ-HRCADAONSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001045649063 801284811 /nfs/dbraw/zinc/28/48/11/801284811.db2.gz FPPJDSGWVDEMQK-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cccc(C3CC3)c2)CC1 ZINC001045649126 801284822 /nfs/dbraw/zinc/28/48/22/801284822.db2.gz IYIRTUOUCVWNNZ-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001046362383 801309988 /nfs/dbraw/zinc/30/99/88/801309988.db2.gz QLLSGICZZIETHQ-IBGZPJMESA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccoc2CCC)C1 ZINC001046767553 801324636 /nfs/dbraw/zinc/32/46/36/801324636.db2.gz OCENVMIGOMPBKV-QGZVFWFLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001046861727 801330114 /nfs/dbraw/zinc/33/01/14/801330114.db2.gz WXNJEBRCNJRMOM-YJBOKZPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C1CCCC1 ZINC001049834755 801388176 /nfs/dbraw/zinc/38/81/76/801388176.db2.gz DELJPWXPYPUAPL-USXIJHARSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001049855784 801388271 /nfs/dbraw/zinc/38/82/71/801388271.db2.gz UJCLEAAYONRKON-LUKYLMHMSA-N 0 3 290.451 3.064 20 30 CGEDHN Cc1cc(F)c(C#N)c(N2CCN[C@H](c3ccccc3)C2)c1 ZINC001164190854 806911709 /nfs/dbraw/zinc/91/17/09/806911709.db2.gz PDCHRUPRSKZDJR-KRWDZBQOSA-N 0 3 295.361 3.157 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001079745156 801647450 /nfs/dbraw/zinc/64/74/50/801647450.db2.gz MNGPWDNMMGGOJI-CZUORRHYSA-N 0 3 298.386 3.059 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085479551 801688497 /nfs/dbraw/zinc/68/84/97/801688497.db2.gz VPLNLPJSYYRMPO-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085510291 801691450 /nfs/dbraw/zinc/69/14/50/801691450.db2.gz QXBALNUBJLMIGG-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983862 801716008 /nfs/dbraw/zinc/71/60/08/801716008.db2.gz QJZCWTPYTIPEJG-UPTPFMHGSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001086182673 801722265 /nfs/dbraw/zinc/72/22/65/801722265.db2.gz GXVRJPZGOUHSDC-NGFQHRJXSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC001086182674 801722418 /nfs/dbraw/zinc/72/24/18/801722418.db2.gz GXVRJPZGOUHSDC-RZFFKMDDSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001086461670 801729158 /nfs/dbraw/zinc/72/91/58/801729158.db2.gz ARBXOCHMDVRPIC-MXAVVETBSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088538902 801798606 /nfs/dbraw/zinc/79/86/06/801798606.db2.gz XEWUAAOKQGWKBP-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089003782 801817202 /nfs/dbraw/zinc/81/72/02/801817202.db2.gz JDEDVCXABNYMJV-WBVHZDCISA-N 0 3 286.419 3.072 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1CCCC1 ZINC001089602133 801846389 /nfs/dbraw/zinc/84/63/89/801846389.db2.gz XFLBAOCVGUNRKS-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1CC=CC1 ZINC001089623469 801847070 /nfs/dbraw/zinc/84/70/70/801847070.db2.gz PQNHIOVRPWBBGU-INIZCTEOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001099164672 801930565 /nfs/dbraw/zinc/93/05/65/801930565.db2.gz FWUBFNPBQRBTDU-YJBOKZPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC(=C)C ZINC001099189302 801932577 /nfs/dbraw/zinc/93/25/77/801932577.db2.gz QBOGCJULPKGKCA-CVEARBPZSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CC=C ZINC001099200276 801935038 /nfs/dbraw/zinc/93/50/38/801935038.db2.gz YHBVLKKMZXGZBI-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109632958 802121555 /nfs/dbraw/zinc/12/15/55/802121555.db2.gz JKEZHGZQIOLZSO-NCOADZHNSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001110891914 802148600 /nfs/dbraw/zinc/14/86/00/802148600.db2.gz FINSZIMHKPCNMM-TUVASFSCSA-N 0 3 296.430 3.058 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC)CCCCC1 ZINC001111442303 802161270 /nfs/dbraw/zinc/16/12/70/802161270.db2.gz KELBUIDWIIUTNE-OAGGEKHMSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCC(C)(C)C)CC1 ZINC001113447521 802221651 /nfs/dbraw/zinc/22/16/51/802221651.db2.gz AUGSGKGJBXDIGO-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001113452926 802222981 /nfs/dbraw/zinc/22/29/81/802222981.db2.gz NLIOOUCBRHHWEO-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCC(C)C)cc2)C1 ZINC001116576091 802381269 /nfs/dbraw/zinc/38/12/69/802381269.db2.gz PLNIQBJPKPIWDT-GOSISDBHSA-N 0 3 289.419 3.498 20 30 CGEDHN C[C@@H](CCCC#N)NC(C)(C)C(=O)c1ccccc1 ZINC001172475773 808339440 /nfs/dbraw/zinc/33/94/40/808339440.db2.gz BLHXPDRTHXPHER-ZDUSSCGKSA-N 0 3 258.365 3.320 20 30 CGEDHN Cc1cnccc1Nc1cccnc1C#C[Si](C)(C)C ZINC001174536815 809067408 /nfs/dbraw/zinc/06/74/08/809067408.db2.gz LMEJKWHYSWXFGF-UHFFFAOYSA-N 0 3 281.435 3.179 20 30 CGEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1C ZINC001122395259 802869070 /nfs/dbraw/zinc/86/90/70/802869070.db2.gz PKMDBYKBQRKSBD-LBPRGKRZSA-N 0 3 286.356 3.259 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CC=CCC2)c1 ZINC001122449205 802870341 /nfs/dbraw/zinc/87/03/41/802870341.db2.gz RPAZTRYGDKZGHO-GDBMZVCRSA-N 0 3 296.370 3.389 20 30 CGEDHN N#C[C@@H]1CC[C@H](OC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001122647188 802878981 /nfs/dbraw/zinc/87/89/81/802878981.db2.gz LHZLTGJVRWCUHX-PBHICJAKSA-N 0 3 298.386 3.131 20 30 CGEDHN C[C@@H]1CCC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123383087 802939237 /nfs/dbraw/zinc/93/92/37/802939237.db2.gz ZBFOVIPPFJIPSE-JFGNBEQYSA-N 0 3 278.302 3.362 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001128264002 803182384 /nfs/dbraw/zinc/18/23/84/803182384.db2.gz MVLXTTIYGBSCCW-ZDUSSCGKSA-N 0 3 292.398 3.195 20 30 CGEDHN C=CCCC1(C(=O)N[C@H]2CC[C@H](C)N(CCCF)C2)CC1 ZINC001132290582 803391334 /nfs/dbraw/zinc/39/13/34/803391334.db2.gz FJXQULJFWNVJQB-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN COc1ccc(-c2ccc(OC)c(CN(C)C)c2)cc1C#N ZINC001244710423 803509425 /nfs/dbraw/zinc/50/94/25/803509425.db2.gz YVNYPTDMOIPCBT-UHFFFAOYSA-N 0 3 296.370 3.304 20 30 CGEDHN Cc1cc(C2=CC[C@H](N3CCOCC3)CC2)ccc1CC#N ZINC001245428883 803734426 /nfs/dbraw/zinc/73/44/26/803734426.db2.gz WRMSOLKUFVYTCN-IBGZPJMESA-N 0 3 296.414 3.329 20 30 CGEDHN COc1ccc(CN2CCC[C@H]3CCC[C@H]32)c(C#N)c1 ZINC001137704397 803761305 /nfs/dbraw/zinc/76/13/05/803761305.db2.gz DPZPNEYKCVAIGM-CXAGYDPISA-N 0 3 270.376 3.331 20 30 CGEDHN CCOc1cccc(CN2CCC[C@H](C#N)CC2)c1 ZINC001138101356 803853998 /nfs/dbraw/zinc/85/39/98/803853998.db2.gz YUOQZPDHKSGRCM-AWEZNQCLSA-N 0 3 258.365 3.211 20 30 CGEDHN CN1CCCc2cc(CN3CCC[C@H](CC#N)C3)ccc21 ZINC001138358745 803902317 /nfs/dbraw/zinc/90/23/17/803902317.db2.gz YYBDGCJXSSOLMP-OAHLLOKOSA-N 0 3 283.419 3.195 20 30 CGEDHN CN1CCCc2cc(CN3CCC(C)(C#N)CC3)ccc21 ZINC001138357045 803902944 /nfs/dbraw/zinc/90/29/44/803902944.db2.gz ZZFSUAHUPBRKJF-UHFFFAOYSA-N 0 3 283.419 3.195 20 30 CGEDHN Cc1ccc2[nH]c(CN3CCC4SC(=O)C=C4C3)cc2c1 ZINC001138416359 803923570 /nfs/dbraw/zinc/92/35/70/803923570.db2.gz VQMYTPLQXBWJRA-MRXNPFEDSA-N 0 3 298.411 3.250 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC001138624284 803982389 /nfs/dbraw/zinc/98/23/89/803982389.db2.gz AYTHTAUTDYNEJQ-WBVHZDCISA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC001138624284 803982393 /nfs/dbraw/zinc/98/23/93/803982393.db2.gz AYTHTAUTDYNEJQ-WBVHZDCISA-N 0 3 287.403 3.122 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@@](C)(O)[C@H](C)C1 ZINC001138662398 803996920 /nfs/dbraw/zinc/99/69/20/803996920.db2.gz WYTUGHJGKSDXHG-CRAIPNDOSA-N 0 3 289.419 3.234 20 30 CGEDHN CCC(=O)Oc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001138964622 804090625 /nfs/dbraw/zinc/09/06/25/804090625.db2.gz DIHNWDDZUBCTHA-PHZGNYQRSA-N 0 3 298.386 3.269 20 30 CGEDHN CCn1ccc2c1cccc2CN1CCC(C#N)CC1 ZINC001139151441 804137813 /nfs/dbraw/zinc/13/78/13/804137813.db2.gz DBBZYCQLQGLOPF-UHFFFAOYSA-N 0 3 267.376 3.397 20 30 CGEDHN C[C@@]1(F)CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139526085 804200497 /nfs/dbraw/zinc/20/04/97/804200497.db2.gz TWNYYCROPFFDTD-OAHLLOKOSA-N 0 3 264.319 3.411 20 30 CGEDHN N#CC1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139640019 804239913 /nfs/dbraw/zinc/23/99/13/804239913.db2.gz NFISSQDNTICQEG-UHFFFAOYSA-N 0 3 277.371 3.484 20 30 CGEDHN N#Cc1cccc2c(CN3CCC[C@@H](C#N)CC3)c[nH]c21 ZINC001139703018 804257723 /nfs/dbraw/zinc/25/77/23/804257723.db2.gz GPRNYBANYQYMBU-CYBMUJFWSA-N 0 3 278.359 3.165 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@@H]4OCCC[C@H]4C3)c[nH]c21 ZINC001139702088 804258935 /nfs/dbraw/zinc/25/89/35/804258935.db2.gz VLVRERIFGRCKON-YOEHRIQHSA-N 0 3 295.386 3.040 20 30 CGEDHN C=CCn1cc(CN2CCC[C@@H]3CCCC[C@@H]32)cn1 ZINC001139772578 804277629 /nfs/dbraw/zinc/27/76/29/804277629.db2.gz LIOJHPFLCVKXII-HOTGVXAUSA-N 0 3 259.397 3.224 20 30 CGEDHN O=C1C=C2CN(Cc3ccccc3C(F)F)CCC2S1 ZINC001139797114 804283385 /nfs/dbraw/zinc/28/33/85/804283385.db2.gz LDHNTFMIHMIXKD-ZDUSSCGKSA-N 0 3 295.354 3.398 20 30 CGEDHN COCC[C@@H]1CCCCN1Cc1cc(F)cc(C#N)c1 ZINC001139874728 804304917 /nfs/dbraw/zinc/30/49/17/804304917.db2.gz JSCKAOBTWZZVNG-INIZCTEOSA-N 0 3 276.355 3.088 20 30 CGEDHN CCO[C@H]1CCCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140113680 804381110 /nfs/dbraw/zinc/38/11/10/804381110.db2.gz BUFBCZFHNQMHIT-HNNXBMFYSA-N 0 3 283.375 3.040 20 30 CGEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2Cl)CCC[C@@]1(C)O ZINC001140600354 804471173 /nfs/dbraw/zinc/47/11/73/804471173.db2.gz IQLRFNOXMIBYJQ-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN Cc1ccc(O)c(CN2CCc3ccc(C#N)cc3C2)c1 ZINC001140619948 804476616 /nfs/dbraw/zinc/47/66/16/804476616.db2.gz VXFSVIKZUNPCOT-UHFFFAOYSA-N 0 3 278.355 3.131 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2Cl)CCC[C@@]1(C)O ZINC001140808181 804522530 /nfs/dbraw/zinc/52/25/30/804522530.db2.gz LOFRSLXGSZZMMO-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@H]1CN(Cc2cccc(C#N)c2Cl)CCC[C@@]1(C)O ZINC001140808177 804524256 /nfs/dbraw/zinc/52/42/56/804524256.db2.gz LOFRSLXGSZZMMO-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN C=CCCCNC(=S)Nc1ccccc1CN(C)C ZINC001247759400 804818831 /nfs/dbraw/zinc/81/88/31/804818831.db2.gz AHAOJOVZPKVCRX-UHFFFAOYSA-N 0 3 277.437 3.001 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001248748367 804982358 /nfs/dbraw/zinc/98/23/58/804982358.db2.gz HKGONWSMJSLDPZ-FUHWJXTLSA-N 0 3 284.403 3.122 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144415828 804984127 /nfs/dbraw/zinc/98/41/27/804984127.db2.gz NKUGOLGQDXCBRB-LLVKDONJSA-N 0 3 288.782 3.342 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CCC[C@@H](C#N)CC1 ZINC001248751691 804984260 /nfs/dbraw/zinc/98/42/60/804984260.db2.gz GOLIFFZATKLBAJ-CQSZACIVSA-N 0 3 267.376 3.246 20 30 CGEDHN N#Cc1ccn2ncc(CN3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC001249107065 805091972 /nfs/dbraw/zinc/09/19/72/805091972.db2.gz QBWQVXBBLXIAJK-RDJZCZTQSA-N 0 3 294.402 3.361 20 30 CGEDHN CC(C)O[C@H]1CCN(Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249430455 805148729 /nfs/dbraw/zinc/14/87/29/805148729.db2.gz SOKSYNKXKUHMKK-INIZCTEOSA-N 0 3 283.375 3.039 20 30 CGEDHN Cc1cccc(C#N)c1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249558755 805175291 /nfs/dbraw/zinc/17/52/91/805175291.db2.gz AULVLODVTPYKJO-KRWDZBQOSA-N 0 3 297.402 3.047 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCC[C@H](C)CC ZINC001153571264 805403428 /nfs/dbraw/zinc/40/34/28/805403428.db2.gz VWFYEPTYAQCRAV-IAGOWNOFSA-N 0 3 294.483 3.443 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C2(CC)CCC2)CC1 ZINC001166703145 807086546 /nfs/dbraw/zinc/08/65/46/807086546.db2.gz CJDCKJLEPSTQJL-UHFFFAOYSA-N 0 3 298.858 3.195 20 30 CGEDHN CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001257478881 807176540 /nfs/dbraw/zinc/17/65/40/807176540.db2.gz UOMSRMLOAMZIQO-MJBXVCDLSA-N 0 3 272.433 3.101 20 30 CGEDHN CC(C)[Si](C#CNC1CC(=O)C1)(C(C)C)C(C)C ZINC001167338993 807183812 /nfs/dbraw/zinc/18/38/12/807183812.db2.gz ONUUHBXMCOEHSW-UHFFFAOYSA-N 0 3 265.473 3.486 20 30 CGEDHN CCCCCCCCCC[C@@H](C)NC1CS(=O)(=O)C1 ZINC001257548273 807194977 /nfs/dbraw/zinc/19/49/77/807194977.db2.gz VBXDWNRQJNXGDU-CQSZACIVSA-N 0 3 289.485 3.292 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(c2ccncn2)CC1 ZINC001258050145 807275697 /nfs/dbraw/zinc/27/56/97/807275697.db2.gz REYCCIQMUJGKMT-MRXNPFEDSA-N 0 3 290.455 3.348 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(C(C)=O)[C@H](C)C1 ZINC001258049208 807275958 /nfs/dbraw/zinc/27/59/58/807275958.db2.gz BNCIYVZLCQBSCT-LSDHHAIUSA-N 0 3 268.445 3.288 20 30 CGEDHN CCCCN(CCC#N)[C@H](C)CCCC(=O)OCC ZINC001258127966 807317588 /nfs/dbraw/zinc/31/75/88/807317588.db2.gz XTYWAJCDVSAZGB-CQSZACIVSA-N 0 3 268.401 3.124 20 30 CGEDHN CSC(C)(C)C[C@@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001258324046 807410773 /nfs/dbraw/zinc/41/07/73/807410773.db2.gz LUAXNONPGDBZRF-SECBINFHSA-N 0 3 285.844 3.361 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)NCc1ccc(C#N)o1 ZINC001168464118 807424675 /nfs/dbraw/zinc/42/46/75/807424675.db2.gz DGKZYCKHPZMOBY-NSHDSACASA-N 0 3 258.296 3.011 20 30 CGEDHN C[C@@H]1C[C@H](NCC#CC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC001168828232 807521925 /nfs/dbraw/zinc/52/19/25/807521925.db2.gz FPGMQASCVXTAMR-KGLIPLIRSA-N 0 3 294.439 3.023 20 30 CGEDHN CCCC[C@H](CCC)NC(=N)c1ccc(F)cn1 ZINC001258755403 807595653 /nfs/dbraw/zinc/59/56/53/807595653.db2.gz NBXOVKNBUPSHLM-LBPRGKRZSA-N 0 3 251.349 3.285 20 30 CGEDHN C[C@H](N)c1ccn(-c2cc(CC#N)cc3ccccc32)n1 ZINC001169238354 807612117 /nfs/dbraw/zinc/61/21/17/807612117.db2.gz WCFSJUHNYWDNQE-LBPRGKRZSA-N 0 3 276.343 3.111 20 30 CGEDHN C#C[C@@H](NCc1c(C)c(C)c(C)c(C)c1C)[C@H]1CCCO1 ZINC001169494632 807651679 /nfs/dbraw/zinc/65/16/79/807651679.db2.gz NAWWXFNENSXXEP-RTBURBONSA-N 0 3 285.431 3.499 20 30 CGEDHN C#C[C@H](NCc1c(C)c(C)c(C)c(C)c1C)[C@H]1CCCO1 ZINC001169494631 807652262 /nfs/dbraw/zinc/65/22/62/807652262.db2.gz NAWWXFNENSXXEP-RBUKOAKNSA-N 0 3 285.431 3.499 20 30 CGEDHN C=CC[C@H](C)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001169540950 807661127 /nfs/dbraw/zinc/66/11/27/807661127.db2.gz TUXOROGDXFQPOF-KBPBESRZSA-N 0 3 264.438 3.391 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC[C@H](c2ccccc2)C1=O ZINC001261656119 807773564 /nfs/dbraw/zinc/77/35/64/807773564.db2.gz PVZNMYRTAKSVKK-FGTMMUONSA-N 0 3 296.414 3.143 20 30 CGEDHN Cc1cc(CN)nn1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359256 807829620 /nfs/dbraw/zinc/82/96/20/807829620.db2.gz RCBHEWHCUBGKLV-UHFFFAOYSA-N 0 3 294.402 3.227 20 30 CGEDHN CC[C@H](Cc1ccc2c(c1)OCO2)NCC1(C#N)CCC1 ZINC001170405339 807835162 /nfs/dbraw/zinc/83/51/62/807835162.db2.gz MKYYXUWDPQKZHM-CQSZACIVSA-N 0 3 286.375 3.020 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170419290 807837289 /nfs/dbraw/zinc/83/72/89/807837289.db2.gz FGIMJMHYNDJNLP-KBPBESRZSA-N 0 3 274.364 3.018 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(Cl)c1N(C)C ZINC001263095568 807933167 /nfs/dbraw/zinc/93/31/67/807933167.db2.gz PVQLCYMZNJFTGO-LBPRGKRZSA-N 0 3 295.814 3.028 20 30 CGEDHN CC[C@H](CC#N)NCC1([C@H]2CCCCO2)CCC1 ZINC001170948387 807941577 /nfs/dbraw/zinc/94/15/77/807941577.db2.gz HXNNCONJKOYDQU-ZIAGYGMSSA-N 0 3 250.386 3.008 20 30 CGEDHN N#CCCC[C@H](N)C(=O)N1CCCCC12CCCCCC2 ZINC001263305094 807945527 /nfs/dbraw/zinc/94/55/27/807945527.db2.gz QOTWCOXGWIVNJE-HNNXBMFYSA-N 0 3 291.439 3.113 20 30 CGEDHN CCCC1(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001263664998 807992013 /nfs/dbraw/zinc/99/20/13/807992013.db2.gz QUKOEJGZLXOPAT-JTQLQIEISA-N 0 3 264.275 3.116 20 30 CGEDHN CC[C@H](C)[C@@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001263665132 807992032 /nfs/dbraw/zinc/99/20/32/807992032.db2.gz VDTOCAANYRIWAQ-NGZCFLSTSA-N 0 3 266.291 3.218 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001263804889 808006347 /nfs/dbraw/zinc/00/63/47/808006347.db2.gz JASWROGNOVNADJ-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCCC[C@@H](F)C1 ZINC001171203726 808009130 /nfs/dbraw/zinc/00/91/30/808009130.db2.gz PGYAFILBEHMSNY-CZUORRHYSA-N 0 3 260.356 3.313 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC(C)(C)CC)C1 ZINC001263834063 808010529 /nfs/dbraw/zinc/01/05/29/808010529.db2.gz XSGAHCVJNQIICN-BETUJISGSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC/C=C\c2ccccc2)[C@H]1C ZINC001264160171 808040945 /nfs/dbraw/zinc/04/09/45/808040945.db2.gz GWGDLYFYKXZSCC-AQOIUKNXSA-N 0 3 298.430 3.245 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001265085244 808108355 /nfs/dbraw/zinc/10/83/55/808108355.db2.gz CHLFTTLPNIAXDU-ZIAGYGMSSA-N 0 3 298.858 3.288 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001265549381 808152388 /nfs/dbraw/zinc/15/23/88/808152388.db2.gz JFZUNPUKGUUNJF-OKILXGFUSA-N 0 3 298.858 3.336 20 30 CGEDHN CCCCCCC[C@H](CC)N1CCN2C(=O)OC[C@H]2C1 ZINC001172354488 808251170 /nfs/dbraw/zinc/25/11/70/808251170.db2.gz HUMBOXZCWOYHEA-LSDHHAIUSA-N 0 3 282.428 3.262 20 30 CGEDHN C=CCCC(=O)NCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001267188087 808376655 /nfs/dbraw/zinc/37/66/55/808376655.db2.gz DHMXLANATFWLTP-ZDUSSCGKSA-N 0 3 294.826 3.415 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(CCCC)cc1 ZINC001267206122 808381932 /nfs/dbraw/zinc/38/19/32/808381932.db2.gz NTEVWOMDBYHUNG-UHFFFAOYSA-N 0 3 288.435 3.267 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)CCC)c1ccccc1 ZINC001267350128 808420141 /nfs/dbraw/zinc/42/01/41/808420141.db2.gz ADGVBFSFJSMFEA-GOEBONIOSA-N 0 3 274.408 3.056 20 30 CGEDHN C#CCCN[C@H](CNC(=O)/C=C/C(C)(C)C)c1ccccc1 ZINC001267518266 808438554 /nfs/dbraw/zinc/43/85/54/808438554.db2.gz ZDKZFANWXRRXEH-GZKZCVOOSA-N 0 3 298.430 3.059 20 30 CGEDHN C#CCN(C)[C@H](C)CSc1ccc(Cl)cc1 ZINC001172883710 808474290 /nfs/dbraw/zinc/47/42/90/808474290.db2.gz VRDSOICKHMUJAU-LLVKDONJSA-N 0 3 253.798 3.386 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)CCCCC)C1 ZINC001267773423 808488013 /nfs/dbraw/zinc/48/80/13/808488013.db2.gz NDGFJIBIEBNBNW-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC2CC(C)(C)C2)C1 ZINC001267792361 808494430 /nfs/dbraw/zinc/49/44/30/808494430.db2.gz YRSZUYVKVNKGQK-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001268240215 808565143 /nfs/dbraw/zinc/56/51/43/808565143.db2.gz UZXXWQJINLFNKE-MRXNPFEDSA-N 0 3 278.440 3.089 20 30 CGEDHN C#CCNCCN(CC)C(=O)[C@@H](CC)CC1CCCCC1 ZINC001268482306 808592039 /nfs/dbraw/zinc/59/20/39/808592039.db2.gz PBTMUIHJHYEENM-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CNCc1ccccc1F ZINC001268658244 808605353 /nfs/dbraw/zinc/60/53/53/808605353.db2.gz RISUNSFZXVBTIA-KGLIPLIRSA-N 0 3 292.398 3.022 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001268898930 808635066 /nfs/dbraw/zinc/63/50/66/808635066.db2.gz OBLHEAXCKFPIIJ-HUUCEWRRSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCC1 ZINC001268921789 808635183 /nfs/dbraw/zinc/63/51/83/808635183.db2.gz ABKAAICRKDXJII-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN Cc1ccc(C2(NC3CCC(C)(C#N)CC3)COC2)cc1 ZINC001173586061 808645928 /nfs/dbraw/zinc/64/59/28/808645928.db2.gz GCDMQMBOXBDXPQ-UHFFFAOYSA-N 0 3 284.403 3.283 20 30 CGEDHN CC1(C#N)CCC(n2nc(CN)c3ccccc32)CC1 ZINC001173586027 808646349 /nfs/dbraw/zinc/64/63/49/808646349.db2.gz DTSODRLXMPPCSW-UHFFFAOYSA-N 0 3 268.364 3.140 20 30 CGEDHN Cc1cccc2c1[C@@H](NC1CCC(C)(C#N)CC1)C(=O)N2 ZINC001173584792 808646539 /nfs/dbraw/zinc/64/65/39/808646539.db2.gz MGEMKGNTZUCVQS-YAJUMTOWSA-N 0 3 283.375 3.050 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001269311740 808668146 /nfs/dbraw/zinc/66/81/46/808668146.db2.gz VFOCJQJOJIGFOI-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001269357037 808673386 /nfs/dbraw/zinc/67/33/86/808673386.db2.gz XEMFEQKENDTMCN-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C1CCC(C(=O)N2CCC[C@H]2CNC[C@H](F)CC)CC1 ZINC001270128885 808718158 /nfs/dbraw/zinc/71/81/58/808718158.db2.gz KMABLHKNEDCZFS-CVEARBPZSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001270261748 808724559 /nfs/dbraw/zinc/72/45/59/808724559.db2.gz VBFDYZCKUGQINY-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C/C(C)=C/CC(=O)N1CC[C@H](CCNCC(=C)Cl)C1 ZINC001272523351 808815801 /nfs/dbraw/zinc/81/58/01/808815801.db2.gz FHQIBIANBDCKIP-WQPBDQAGSA-N 0 3 296.842 3.090 20 30 CGEDHN C=C/C(C)=C\CC(=O)N1CC[C@H](CCNCC(=C)Cl)C1 ZINC001272523352 808816264 /nfs/dbraw/zinc/81/62/64/808816264.db2.gz FHQIBIANBDCKIP-XNISGLLXSA-N 0 3 296.842 3.090 20 30 CGEDHN Cc1c(C)n(-c2ccnc(C(C)(C)C)c2)c(N)c1C#N ZINC001213162909 815247728 /nfs/dbraw/zinc/24/77/28/815247728.db2.gz LVYLRINIHDADJG-UHFFFAOYSA-N 0 3 268.364 3.241 20 30 CGEDHN Cc1ccc(CN2CC3(CCN3C3CCCC3)C2)cc1C#N ZINC001275373425 808932855 /nfs/dbraw/zinc/93/28/55/808932855.db2.gz HNVJWLJWAREGEG-UHFFFAOYSA-N 0 3 295.430 3.069 20 30 CGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001276311297 809000848 /nfs/dbraw/zinc/00/08/48/809000848.db2.gz LZSPRLSGRHPMPJ-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001276608944 809020052 /nfs/dbraw/zinc/02/00/52/809020052.db2.gz TXXGZPIBIGCRFA-CRAIPNDOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H](C)N[C@H](C)c1ccccc1F ZINC001277770718 809094176 /nfs/dbraw/zinc/09/41/76/809094176.db2.gz HTANYRWVNYSEFD-ZIAGYGMSSA-N 0 3 292.398 3.289 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@]1(C)CCN(CC=C(C)C)C1 ZINC001278396099 809129839 /nfs/dbraw/zinc/12/98/39/809129839.db2.gz MISLHLPHLYAZSA-GOSISDBHSA-N 0 3 290.451 3.302 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001278662997 809150981 /nfs/dbraw/zinc/15/09/81/809150981.db2.gz HLOJYVATPYZLAK-KRWDZBQOSA-N 0 3 280.456 3.217 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)CCCC[C@@H](C)CC)CC1 ZINC001280747561 809197387 /nfs/dbraw/zinc/19/73/87/809197387.db2.gz SHEYIQCOTCBANC-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)CC)CCCCC1 ZINC001282598083 809253758 /nfs/dbraw/zinc/25/37/58/809253758.db2.gz MRMUFOFRTMTECE-LBPRGKRZSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001282740981 809261746 /nfs/dbraw/zinc/26/17/46/809261746.db2.gz PTSMZVYRKJTBJA-NVXWUHKLSA-N 0 3 294.483 3.461 20 30 CGEDHN N#Cc1cc(Nc2ccnc(C3CC3)c2)ccc1N ZINC001213433682 815280568 /nfs/dbraw/zinc/28/05/68/815280568.db2.gz KKMSQOIRHVBGTC-UHFFFAOYSA-N 0 3 250.305 3.156 20 30 CGEDHN C=CCCC[C@H](C(=O)N(C)CCN(C)C)c1ccccc1 ZINC001294236941 809465199 /nfs/dbraw/zinc/46/51/99/809465199.db2.gz XOHSXXRJNNSYPC-KRWDZBQOSA-N 0 3 288.435 3.147 20 30 CGEDHN Cc1cc([C@@H]2CCCCN2CCC(C)(C)C#N)n[nH]1 ZINC001176484616 809705783 /nfs/dbraw/zinc/70/57/83/809705783.db2.gz IPOIYVXBNHESOA-AWEZNQCLSA-N 0 3 260.385 3.185 20 30 CGEDHN C=C(CNCc1cnc(F)cc1C)c1ccccc1 ZINC001177688358 809815606 /nfs/dbraw/zinc/81/56/06/809815606.db2.gz VTXANNDZBFULJO-UHFFFAOYSA-N 0 3 256.324 3.332 20 30 CGEDHN C(#Cc1ccccc1)CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001181869475 810077265 /nfs/dbraw/zinc/07/72/65/810077265.db2.gz CGXCRWPJCFJWQV-ZWKOTPCHSA-N 0 3 251.373 3.159 20 30 CGEDHN C#CC1(NCc2cc(Cl)c(O)c(OCC)c2)CCCC1 ZINC001183498679 810150423 /nfs/dbraw/zinc/15/04/23/810150423.db2.gz IEODLIGATNCHAD-UHFFFAOYSA-N 0 3 293.794 3.480 20 30 CGEDHN C[C@@]1(c2ccccc2)CC[C@@H](NCC2(C#N)CCOCC2)C1 ZINC001184276161 810187762 /nfs/dbraw/zinc/18/77/62/810187762.db2.gz DEQYDVMLUWZZNI-QZTJIDSGSA-N 0 3 298.430 3.407 20 30 CGEDHN C=CCC[C@H](CC)N[C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184328650 810192621 /nfs/dbraw/zinc/19/26/21/810192621.db2.gz QDULFHGKRBVJBL-UONOGXRCSA-N 0 3 280.799 3.201 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](CC)CC(C)C)[C@@H]2C1 ZINC001189692240 810585956 /nfs/dbraw/zinc/58/59/56/810585956.db2.gz MSYHDMXTLYYBOL-IXDOHACOSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CC[C@H](C)N1CCN(c2ccccc2F)C[C@H]1C ZINC001194020994 811003349 /nfs/dbraw/zinc/00/33/49/811003349.db2.gz UJVZBWJFJMEHSN-UONOGXRCSA-N 0 3 262.372 3.301 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Oc1ccc(Cl)cc1 ZINC001194078428 811011544 /nfs/dbraw/zinc/01/15/44/811011544.db2.gz ARNUKOMWHSKQEN-ZDUSSCGKSA-N 0 3 294.782 3.079 20 30 CGEDHN CCCCCCCCOC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001194743392 811121585 /nfs/dbraw/zinc/12/15/85/811121585.db2.gz IOGZTJYFMAOLKF-LSDHHAIUSA-N 0 3 282.428 3.119 20 30 CGEDHN C=CCN(Cc1ccc(F)c2cccnc12)[C@@H](C)COC ZINC001196047745 811314161 /nfs/dbraw/zinc/31/41/61/811314161.db2.gz CSKQWDUOMYWIBR-ZDUSSCGKSA-N 0 3 288.366 3.397 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001196358008 811335571 /nfs/dbraw/zinc/33/55/71/811335571.db2.gz KVOOSPFRGKRZNQ-KRWDZBQOSA-N 0 3 298.446 3.405 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCCN(CC=C(C)C)CC1 ZINC001196889987 811380139 /nfs/dbraw/zinc/38/01/39/811380139.db2.gz MXAGJOBRBCATSU-INIZCTEOSA-N 0 3 278.440 3.089 20 30 CGEDHN CCCCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001197031112 811391603 /nfs/dbraw/zinc/39/16/03/811391603.db2.gz HVZKYANIGCGJJG-UHFFFAOYSA-N 0 3 271.408 3.261 20 30 CGEDHN C#CCCN1CCCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001197354104 811419892 /nfs/dbraw/zinc/41/98/92/811419892.db2.gz NBUZATFOEURYDH-KRWDZBQOSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@H](F)CCCCCC)CC1 ZINC001197824238 811455736 /nfs/dbraw/zinc/45/57/36/811455736.db2.gz MEQQQGVVSZWUAS-MRXNPFEDSA-N 0 3 298.446 3.405 20 30 CGEDHN CCCCCCCCCNC(=S)N[C@H]1CCCN(C)C1 ZINC001200378646 811683925 /nfs/dbraw/zinc/68/39/25/811683925.db2.gz ZHTBLEXWBKECEI-HNNXBMFYSA-N 0 3 299.528 3.295 20 30 CGEDHN CCCCCCCCN1CCCC[C@@]12CC(=O)N(C)C2 ZINC001201814364 811967686 /nfs/dbraw/zinc/96/76/86/811967686.db2.gz OJLVJKRNLGITHC-KRWDZBQOSA-N 0 3 280.456 3.434 20 30 CGEDHN C#CCN1CCN(CCCCCCCCCC)CC1 ZINC001201874736 811973999 /nfs/dbraw/zinc/97/39/99/811973999.db2.gz FBEDZEYZTLJVEJ-UHFFFAOYSA-N 0 3 264.457 3.378 20 30 CGEDHN COc1ccc(CN2CCC(C)(C#N)CC2)c(C)c1C ZINC001203723970 812441838 /nfs/dbraw/zinc/44/18/38/812441838.db2.gz VEVQHPHNVKTDAZ-UHFFFAOYSA-N 0 3 272.392 3.438 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001203904097 812488562 /nfs/dbraw/zinc/48/85/62/812488562.db2.gz VOERKVDMEAVROM-SFHVURJKSA-N 0 3 296.345 3.351 20 30 CGEDHN CN(CCN(C)Cc1ccccc1C#N)Cc1ccccc1 ZINC001204372228 812623138 /nfs/dbraw/zinc/62/31/38/812623138.db2.gz AFWHSRYTEZMRND-UHFFFAOYSA-N 0 3 293.414 3.122 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cc(C)ccc2F)no1 ZINC001206094497 813198584 /nfs/dbraw/zinc/19/85/84/813198584.db2.gz NOELBWVCUOZTNF-UHFFFAOYSA-N 0 3 287.338 3.293 20 30 CGEDHN Cc1nc(C)c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)s1 ZINC001206179286 813229313 /nfs/dbraw/zinc/22/93/13/813229313.db2.gz LPLIPXLGCCHUPH-XYYAHUGASA-N 0 3 261.394 3.027 20 30 CGEDHN C=CCCCCCCCN1CCC(F)(F)[C@H](N)C1 ZINC001206656513 813390977 /nfs/dbraw/zinc/39/09/77/813390977.db2.gz LQLGXQKPTCDITL-CYBMUJFWSA-N 0 3 260.372 3.181 20 30 CGEDHN CO[C@@H](CNCc1cc(C#N)ccc1F)C1CCCCC1 ZINC001207557473 813594223 /nfs/dbraw/zinc/59/42/23/813594223.db2.gz KMHDFUFXIFMIMG-KRWDZBQOSA-N 0 3 290.382 3.382 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@@H](F)[C@H](O)C1 ZINC001208120966 813698487 /nfs/dbraw/zinc/69/84/87/813698487.db2.gz XDZYDGQEKYMUAF-VMFRVMOISA-N 0 3 257.393 3.308 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCN(C3CC3)CC2)CC1 ZINC001208171811 813725217 /nfs/dbraw/zinc/72/52/17/813725217.db2.gz XSAZHJXLRIHNRM-MRXNPFEDSA-N 0 3 260.425 3.069 20 30 CGEDHN CN(CCCc1cccc(C#N)c1)Cc1cncs1 ZINC001208854683 813865959 /nfs/dbraw/zinc/86/59/59/813865959.db2.gz SEVHJQSKQDAIRI-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN C=CCCCN1CCN(Cc2c(F)cccc2F)CC1 ZINC001209163999 813953300 /nfs/dbraw/zinc/95/33/00/813953300.db2.gz QXSBWEQISYTCQF-UHFFFAOYSA-N 0 3 280.362 3.049 20 30 CGEDHN C=CCCCCN1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001209200829 813965460 /nfs/dbraw/zinc/96/54/60/813965460.db2.gz PIEJXFHGQVVRDI-CABCVRRESA-N 0 3 294.439 3.426 20 30 CGEDHN C#CCCCN1CCN(c2ccccc2C(F)(F)F)CC1 ZINC001209268213 813990209 /nfs/dbraw/zinc/99/02/09/813990209.db2.gz WLHCAVMJOJJDAO-UHFFFAOYSA-N 0 3 296.336 3.241 20 30 CGEDHN C=CCCCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OCC ZINC001209428974 814029908 /nfs/dbraw/zinc/02/99/08/814029908.db2.gz QJGACGINGNJZHZ-JYJNAYRXSA-N 0 3 279.424 3.396 20 30 CGEDHN C=CCCCCCCN1CCC(F)(C(=O)OCC)CC1 ZINC001209435552 814036494 /nfs/dbraw/zinc/03/64/94/814036494.db2.gz DZCGOGPYVBQLDE-UHFFFAOYSA-N 0 3 285.403 3.490 20 30 CGEDHN C=CCCCCCCCCN1CCO[C@]2(CCOC2)C1 ZINC001209443122 814044374 /nfs/dbraw/zinc/04/43/74/814044374.db2.gz MFTOEVSILORNHS-QGZVFWFLSA-N 0 3 281.440 3.394 20 30 CGEDHN COc1ccc(-c2ccccc2C#N)cc1CN(C)C ZINC001242716521 823110449 /nfs/dbraw/zinc/11/04/49/823110449.db2.gz ZDXLUCMFSYSCQF-UHFFFAOYSA-N 0 3 266.344 3.295 20 30 CGEDHN N#Cc1cncc(Nc2ccnc(C3CCC3)c2)c1 ZINC001210084544 814280009 /nfs/dbraw/zinc/28/00/09/814280009.db2.gz KMIZXCCQAXRISZ-UHFFFAOYSA-N 0 3 250.305 3.359 20 30 CGEDHN Cc1cc(-c2cnccc2/C=C/N(C)C)ccc1C#N ZINC001242771056 823127932 /nfs/dbraw/zinc/12/79/32/823127932.db2.gz PQGAYFVFQCPVFB-VQHVLOKHSA-N 0 3 263.344 3.461 20 30 CGEDHN N#C[C@@H]1CNC[C@H]1OCc1cccc(Oc2ccccc2)c1 ZINC001217834274 815973448 /nfs/dbraw/zinc/97/34/48/815973448.db2.gz WFWRVDXDDYRLJH-CRAIPNDOSA-N 0 3 294.354 3.107 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H](C)C[C@H](C)CC ZINC001220240408 816285192 /nfs/dbraw/zinc/28/51/92/816285192.db2.gz KSXBZEHBYIRBBV-ILXRZTDVSA-N 0 3 268.445 3.391 20 30 CGEDHN CCCCCCC[C@@H](C)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC001221270658 816308187 /nfs/dbraw/zinc/30/81/87/816308187.db2.gz GWNXGPWVBZAUPM-HZPDHXFCSA-N 0 3 297.487 3.376 20 30 CGEDHN CC#CCN1CCC(CNC(=O)[C@](C)(CC)CCC)CC1 ZINC001224988863 816923748 /nfs/dbraw/zinc/92/37/48/816923748.db2.gz FPDGPHRPGVRCQW-GOSISDBHSA-N 0 3 292.467 3.054 20 30 CGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001225224691 816969620 /nfs/dbraw/zinc/96/96/20/816969620.db2.gz BLNWRBUTGZXSIM-WMLDXEAASA-N 0 3 293.370 3.168 20 30 CGEDHN CC(C)(C)c1ccc(C#N)c(OC2CCN(C3CC3)CC2)n1 ZINC001226548417 817394402 /nfs/dbraw/zinc/39/44/02/817394402.db2.gz CXEBQIGZTQCSDG-UHFFFAOYSA-N 0 3 299.418 3.256 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CN3CCC2CC3)c(C(F)(F)F)c1 ZINC001227162304 817577105 /nfs/dbraw/zinc/57/71/05/817577105.db2.gz KMFINIKIXQHJQB-CQSZACIVSA-N 0 3 296.292 3.050 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228828738 818014369 /nfs/dbraw/zinc/01/43/69/818014369.db2.gz JTOHRICHLRDHSX-ZIAGYGMSSA-N 0 3 298.858 3.358 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001231171196 818050912 /nfs/dbraw/zinc/05/09/12/818050912.db2.gz YWJBFTSKIZKFOL-AEFFLSMTSA-N 0 3 298.430 3.173 20 30 CGEDHN C#CCN(C)Cc1ccc(OCc2ccccc2)cc1O ZINC001231470040 818103874 /nfs/dbraw/zinc/10/38/74/818103874.db2.gz NOWSSHXVVHWOKH-UHFFFAOYSA-N 0 3 281.355 3.036 20 30 CGEDHN Cc1cc(C)c(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001231483756 818107508 /nfs/dbraw/zinc/10/75/08/818107508.db2.gz YMKIWTHRXFNAOX-MRXNPFEDSA-N 0 3 287.428 3.386 20 30 CGEDHN COCCN(C)Cc1ccccc1C#Cc1ccccc1 ZINC001231579371 818127779 /nfs/dbraw/zinc/12/77/79/818127779.db2.gz ZONICCQXRJAZOU-UHFFFAOYSA-N 0 3 279.383 3.165 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2c1cccc2C(=O)OC ZINC001232710512 818422151 /nfs/dbraw/zinc/42/21/51/818422151.db2.gz PNASKYGJDMMQMK-UHFFFAOYSA-N 0 3 284.359 3.129 20 30 CGEDHN C/C=C(\C)C(=O)N(C)C[C@@H]1CCN1CCCCCCC ZINC001233568918 818644258 /nfs/dbraw/zinc/64/42/58/818644258.db2.gz HIYHOVZRRHSSNF-KBHCHJSJSA-N 0 3 280.456 3.456 20 30 CGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001233799690 818707054 /nfs/dbraw/zinc/70/70/54/818707054.db2.gz AADRIRFSFVHBMX-KRWDZBQOSA-N 0 3 292.467 3.293 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CC/C=C\CCC ZINC001233966628 818742417 /nfs/dbraw/zinc/74/24/17/818742417.db2.gz NPYHIFBKDFNZOL-XZVRFQMRSA-N 0 3 290.451 3.069 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001233999936 818752312 /nfs/dbraw/zinc/75/23/12/818752312.db2.gz UUUFUVDZJSEXAI-CYBMUJFWSA-N 0 3 281.359 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234049365 818767973 /nfs/dbraw/zinc/76/79/73/818767973.db2.gz HCRWKFOVNJIPMX-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN CN1CC[C@H](Oc2ccccc2C=NNc2ccccc2)C1 ZINC001234078964 818773911 /nfs/dbraw/zinc/77/39/11/818773911.db2.gz FSEJPWKKEUHBFQ-KRWDZBQOSA-N 0 3 295.386 3.216 20 30 CGEDHN CCCCCCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234215647 818802755 /nfs/dbraw/zinc/80/27/55/818802755.db2.gz NZPNXEPVJVITNO-MRXNPFEDSA-N 0 3 292.467 3.149 20 30 CGEDHN N#CCc1ccccc1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001235525582 819114283 /nfs/dbraw/zinc/11/42/83/819114283.db2.gz PHWXLOPUEVALBU-UHFFFAOYSA-N 0 3 278.355 3.017 20 30 CGEDHN N#CCc1ccccc1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001235525582 819114285 /nfs/dbraw/zinc/11/42/85/819114285.db2.gz PHWXLOPUEVALBU-UHFFFAOYSA-N 0 3 278.355 3.017 20 30 CGEDHN COc1ccc(C#N)cc1-c1ccc(CN(C)C2CC2)cn1 ZINC001236537773 819528128 /nfs/dbraw/zinc/52/81/28/819528128.db2.gz AUWAZDZTZSSQDF-UHFFFAOYSA-N 0 3 293.370 3.223 20 30 CGEDHN C=CCN(Cc1cnc(OCC)c(F)c1)C(C)(C)C ZINC001236698731 819575523 /nfs/dbraw/zinc/57/55/23/819575523.db2.gz WMJWVPXJMDBQQO-UHFFFAOYSA-N 0 3 266.360 3.406 20 30 CGEDHN C=CCCCCCCCN1CCNC[C@@H]1C(F)(F)F ZINC001236975195 819639334 /nfs/dbraw/zinc/63/93/34/819639334.db2.gz HLUULEJSUCCVBY-CYBMUJFWSA-N 0 3 278.362 3.349 20 30 CGEDHN C=CCCCCN(C)Cc1sc(=O)[nH]c1Cl ZINC001237170556 819688227 /nfs/dbraw/zinc/68/82/27/819688227.db2.gz YITKYPDOJGURHS-UHFFFAOYSA-N 0 3 260.790 3.290 20 30 CGEDHN Cn1cc(CN2CC3(CCC3)C2)c2cc(C#N)ccc21 ZINC001237464017 819756992 /nfs/dbraw/zinc/75/69/92/819756992.db2.gz AXPFDNMENQKRCQ-UHFFFAOYSA-N 0 3 265.360 3.036 20 30 CGEDHN CCc1n[nH]cc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001237651875 819799837 /nfs/dbraw/zinc/79/98/37/819799837.db2.gz ASEASGIYCNNYEN-UHFFFAOYSA-N 0 3 294.402 3.223 20 30 CGEDHN C=CC[N@@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237680518 819806825 /nfs/dbraw/zinc/80/68/25/819806825.db2.gz CSCCOIAFWKEOMR-UHFFFAOYSA-N 0 3 270.170 3.081 20 30 CGEDHN C=CC[N@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237680518 819806831 /nfs/dbraw/zinc/80/68/31/819806831.db2.gz CSCCOIAFWKEOMR-UHFFFAOYSA-N 0 3 270.170 3.081 20 30 CGEDHN N#CCC1CCN(Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001238000497 819907241 /nfs/dbraw/zinc/90/72/41/819907241.db2.gz KCROWHFPUKMQKM-UHFFFAOYSA-N 0 3 288.782 3.342 20 30 CGEDHN Cc1ccc(Cl)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001238565230 820046377 /nfs/dbraw/zinc/04/63/77/820046377.db2.gz UTLQVHREMBXPRB-CQSZACIVSA-N 0 3 293.819 3.423 20 30 CGEDHN CSc1ncc(C)cc1CN1CCC(CC#N)CC1 ZINC001238717961 820099117 /nfs/dbraw/zinc/09/91/17/820099117.db2.gz ZABBQWQTALBUGS-UHFFFAOYSA-N 0 3 275.421 3.238 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001330184190 935274040 /nfs/dbraw/zinc/27/40/40/935274040.db2.gz LSKODJKMDLSICN-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccn1 ZINC001342036637 936457694 /nfs/dbraw/zinc/45/76/94/936457694.db2.gz PWCCIDFHCHPKDY-YIYPIFLZSA-N 0 3 254.333 3.084 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NC1(CC)CCOCC1 ZINC001342215991 936462412 /nfs/dbraw/zinc/46/24/12/936462412.db2.gz QPGZTLDESWOBFP-OAHLLOKOSA-N 0 3 298.471 3.140 20 30 CGEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1cccc(F)n1 ZINC001342559106 936469973 /nfs/dbraw/zinc/46/99/73/936469973.db2.gz SJZOTSXBNOZIIO-GWJCSSMESA-N 0 3 284.265 3.249 20 30 CGEDHN N#CC(C(=O)CCc1ccsc1)c1cccc(F)n1 ZINC001343310883 936494502 /nfs/dbraw/zinc/49/45/02/936494502.db2.gz CPDVZTYUXPPONA-NSHDSACASA-N 0 3 274.320 3.091 20 30 CGEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC(=O)CC1 ZINC001343842012 936514897 /nfs/dbraw/zinc/51/48/97/936514897.db2.gz IRSGKUFOJHBIIN-LBPRGKRZSA-N 0 3 296.326 3.153 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCC1CCCC1 ZINC001344322780 936529369 /nfs/dbraw/zinc/52/93/69/936529369.db2.gz XYIKDOCXYMNETM-CYBMUJFWSA-N 0 3 259.353 3.050 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCC1CCCC1 ZINC001344322781 936529440 /nfs/dbraw/zinc/52/94/40/936529440.db2.gz XYIKDOCXYMNETM-ZDUSSCGKSA-N 0 3 259.353 3.050 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001344865120 936547200 /nfs/dbraw/zinc/54/72/00/936547200.db2.gz ZSWTVECGHMMXBO-YFKTTZPYSA-N 0 3 291.782 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cccc(C)c1 ZINC001344874430 936547360 /nfs/dbraw/zinc/54/73/60/936547360.db2.gz AKBRUUJCSYDZGU-HNNXBMFYSA-N 0 3 281.359 3.021 20 30 CGEDHN C=CC(C)(C)CCCNCc1ccnc(OC)c1F ZINC001474256871 937846725 /nfs/dbraw/zinc/84/67/25/937846725.db2.gz ZVKSHEJDAYKXNJ-UHFFFAOYSA-N 0 3 266.360 3.311 20 30 CGEDHN C=CCCCCCN(C)Cc1cccnc1N(C)C ZINC001347138015 936871455 /nfs/dbraw/zinc/87/14/55/936871455.db2.gz LKJCJDDAERZSCZ-UHFFFAOYSA-N 0 3 261.413 3.326 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC1CCCCCC1 ZINC001347339735 936879967 /nfs/dbraw/zinc/87/99/67/936879967.db2.gz ZDOQHPCIIWBBIT-AWEZNQCLSA-N 0 3 273.380 3.440 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(CCCCCF)C1 ZINC001479909817 936922697 /nfs/dbraw/zinc/92/26/97/936922697.db2.gz RLUVUGQFUVMFSN-WBVHZDCISA-N 0 3 298.446 3.309 20 30 CGEDHN C=C[C@@H](C(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC001348516225 936924206 /nfs/dbraw/zinc/92/42/06/936924206.db2.gz BQQOHQFYLZNGIU-ZWKOTPCHSA-N 0 3 298.430 3.089 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccccc1F ZINC001349703447 936959008 /nfs/dbraw/zinc/95/90/08/936959008.db2.gz XKLCAJIUMNJAFN-GXTWGEPZSA-N 0 3 299.349 3.412 20 30 CGEDHN C#C[C@H](CC)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001353339984 937063281 /nfs/dbraw/zinc/06/32/81/937063281.db2.gz LQQGTGVNESJZDO-MFKMUULPSA-N 0 3 272.175 3.028 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC1CC1)c1ccccc1 ZINC001353394084 937064477 /nfs/dbraw/zinc/06/44/77/937064477.db2.gz PIKVMNGEJPNDRP-INIZCTEOSA-N 0 3 272.392 3.113 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1ccccc1 ZINC001353473710 937066699 /nfs/dbraw/zinc/06/66/99/937066699.db2.gz FDCNZEREHTZTFH-MRXNPFEDSA-N 0 3 288.435 3.179 20 30 CGEDHN CC#CCNCCN(C)C(=O)c1ccc(C2CCCC2)cc1 ZINC001481258245 926927043 /nfs/dbraw/zinc/92/70/43/926927043.db2.gz INBSMDMPKKENSM-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN C[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccc(C#N)cc1 ZINC000336466541 926995369 /nfs/dbraw/zinc/99/53/69/926995369.db2.gz HJPFEEQOFCGBKE-NHYWBVRUSA-N 0 3 266.348 3.010 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(C)C ZINC001481679331 927056194 /nfs/dbraw/zinc/05/61/94/927056194.db2.gz CRAIWEBXRXPHRQ-IRXDYDNUSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2sccc2F)C1 ZINC001481701244 927064867 /nfs/dbraw/zinc/06/48/67/927064867.db2.gz GASXQDKIMLJHPJ-VXGBXAGGSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001481773593 927089377 /nfs/dbraw/zinc/08/93/77/927089377.db2.gz YDGSNQXANXYUBZ-MRXNPFEDSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@H](C)C1CC1)C1CC1 ZINC001481950403 927115012 /nfs/dbraw/zinc/11/50/12/927115012.db2.gz FSDAGFAPYNXNOR-ZBEGNZNMSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CC12CCC2 ZINC001505836286 927361675 /nfs/dbraw/zinc/36/16/75/927361675.db2.gz CJQFDGBXNDEKQE-CYBMUJFWSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)CC(C)(C)C ZINC001483628744 927552300 /nfs/dbraw/zinc/55/23/00/927552300.db2.gz GUDPRRPPULWHLB-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CCC2CCCC2)C1 ZINC001483679370 927569402 /nfs/dbraw/zinc/56/94/02/927569402.db2.gz IJBARSVTTFWPSL-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@]1(C)CCN(CC=C(C)C)C1 ZINC001484055733 927669825 /nfs/dbraw/zinc/66/98/25/927669825.db2.gz CXBBYQGVXKEJBH-DOTOQJQBSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001484317641 927691589 /nfs/dbraw/zinc/69/15/89/927691589.db2.gz HULVGYWBIOEREE-UGJSGUFQSA-N 0 3 296.842 3.064 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)C(C)(C)CCCCC)CC1 ZINC001484728730 927745644 /nfs/dbraw/zinc/74/56/44/927745644.db2.gz UZSMJKXPHMKSFE-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CC(C)(C)C1CC1 ZINC001484991651 927786432 /nfs/dbraw/zinc/78/64/32/927786432.db2.gz ALMSTQXZGPVTCZ-LBPRGKRZSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(C)C)C(C)(C)C1 ZINC001485578659 927891200 /nfs/dbraw/zinc/89/12/00/927891200.db2.gz WNDPZLKHVLLGDP-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)NCCF)CC1 ZINC001490306702 928344236 /nfs/dbraw/zinc/34/42/36/928344236.db2.gz OZGIGDZCJPWTLB-GDBMZVCRSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(CC)CCCC2)CC1 ZINC001490420539 928358077 /nfs/dbraw/zinc/35/80/77/928358077.db2.gz AQTCJGOCKRRQBZ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCCN1CC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001490544012 928366342 /nfs/dbraw/zinc/36/63/42/928366342.db2.gz MDWRPVRJRQFTFG-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(CC=C(C)C)C2)CCCC1 ZINC001490582107 928375142 /nfs/dbraw/zinc/37/51/42/928375142.db2.gz IYFJCLLLBJDQNP-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001492865598 937242312 /nfs/dbraw/zinc/24/23/12/937242312.db2.gz CMXRTJGNJKWECF-CYBMUJFWSA-N 0 3 294.826 3.068 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1C(C)C ZINC001320006984 928487455 /nfs/dbraw/zinc/48/74/55/928487455.db2.gz FYBQETHDLNXNCX-UHFFFAOYSA-N 0 3 288.435 3.390 20 30 CGEDHN C#CCOCCN(C)Cc1ccc(-c2cccs2)cc1 ZINC001320953006 928500325 /nfs/dbraw/zinc/50/03/25/928500325.db2.gz MERNOHDCTJBSHM-UHFFFAOYSA-N 0 3 285.412 3.497 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)Nc2cccc(C#N)c2)c1 ZINC001202786346 928738859 /nfs/dbraw/zinc/73/88/59/928738859.db2.gz LYBUEKUZWSFRLS-UHFFFAOYSA-N 0 3 294.358 3.264 20 30 CGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCC(C)C)C1 ZINC001491295472 928853975 /nfs/dbraw/zinc/85/39/75/928853975.db2.gz BIPCWTVHDRMUKA-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC001436504665 937281346 /nfs/dbraw/zinc/28/13/46/937281346.db2.gz ZRVILRUULQRJEX-MRXNPFEDSA-N 0 3 286.419 3.252 20 30 CGEDHN C=CCCC[C@H](NCC(=O)N(C)CC)c1ccccc1 ZINC001460709419 937541222 /nfs/dbraw/zinc/54/12/22/937541222.db2.gz NGEUMHZXIIDXMV-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCC[C@H]1CCCN1Cc1nnc(-c2ccccc2O)o1 ZINC001460886281 937550459 /nfs/dbraw/zinc/55/04/59/937550459.db2.gz LIYHDLOJNFNBEA-ZDUSSCGKSA-N 0 3 299.374 3.373 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C(C)C ZINC001228901025 932048034 /nfs/dbraw/zinc/04/80/34/932048034.db2.gz KTTCWZXDZZYPME-MGPQQGTHSA-N 0 3 286.847 3.048 20 30 CGEDHN C=CC[C@@H](C=C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303542 932129390 /nfs/dbraw/zinc/12/93/90/932129390.db2.gz UQURIGULNDOWSF-OAHLLOKOSA-N 0 3 273.376 3.331 20 30 CGEDHN CCNc1ccccc1CN1CCC(C)(C#N)CC1 ZINC001461989469 937611037 /nfs/dbraw/zinc/61/10/37/937611037.db2.gz AAWXLZRGVMOTFF-UHFFFAOYSA-N 0 3 257.381 3.244 20 30 CGEDHN N#Cc1ccc(F)c(-c2cncc(CN3CCCC3)c2)c1 ZINC001244556311 932708920 /nfs/dbraw/zinc/70/89/20/932708920.db2.gz HQJXJUAFNIGDCF-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C#C[C@H](N[C@H]1CCCN(CC)C1)c1ccc(Cl)cc1F ZINC001462224885 937626288 /nfs/dbraw/zinc/62/62/88/937626288.db2.gz JQWKXZZLJCYRST-BBRMVZONSA-N 0 3 294.801 3.227 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001492080739 932805541 /nfs/dbraw/zinc/80/55/41/932805541.db2.gz AHZBVAOIKOKIQO-OLZOCXBDSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1CC ZINC001492171763 932808965 /nfs/dbraw/zinc/80/89/65/932808965.db2.gz RLGVNNCRJOQFDX-RBSFLKMASA-N 0 3 298.858 3.146 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CC2CCC1CC2 ZINC001492133779 932809055 /nfs/dbraw/zinc/80/90/55/932809055.db2.gz RBZOKTIJAAPTIB-VXGQWTEUSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CC(C)C ZINC001492136253 932809342 /nfs/dbraw/zinc/80/93/42/932809342.db2.gz RRGOUQJLRVUUHG-CQSZACIVSA-N 0 3 286.847 3.146 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCCN(C)CC1=CCCCC1 ZINC001492381360 932815680 /nfs/dbraw/zinc/81/56/80/932815680.db2.gz MCMOTYWOIQGRFE-OAHLLOKOSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCN(C)CCNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001492448569 932816669 /nfs/dbraw/zinc/81/66/69/932816669.db2.gz XATHSADEWCPFIH-KRWDZBQOSA-N 0 3 288.435 3.050 20 30 CGEDHN COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001308010299 933034472 /nfs/dbraw/zinc/03/44/72/933034472.db2.gz LBRPAJKGPCJQAI-LBPRGKRZSA-N 0 3 282.343 3.123 20 30 CGEDHN COc1cc(C#N)ccc1CN[C@@H](C)c1ccccc1O ZINC001308010299 933034475 /nfs/dbraw/zinc/03/44/75/933034475.db2.gz LBRPAJKGPCJQAI-LBPRGKRZSA-N 0 3 282.343 3.123 20 30 CGEDHN C=CCC[C@@H]1CCCN1Cc1nccc(OC)c1OC ZINC001308137694 933055425 /nfs/dbraw/zinc/05/54/25/933055425.db2.gz UAHQBBFBEBENEH-CYBMUJFWSA-N 0 3 276.380 3.029 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N1CCC[C@@H](C2CCCC2)C1 ZINC001308157891 933059392 /nfs/dbraw/zinc/05/93/92/933059392.db2.gz QIVXEDMBGKNDBM-CABCVRRESA-N 0 3 265.397 3.006 20 30 CGEDHN C=CCC[C@@H](NCc1cnn(CCOC)c1)c1ccccc1 ZINC001308340274 933097091 /nfs/dbraw/zinc/09/70/91/933097091.db2.gz VWEBZJMPACXYGZ-GOSISDBHSA-N 0 3 299.418 3.327 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC001308802360 933178989 /nfs/dbraw/zinc/17/89/89/933178989.db2.gz LUPSDLDDUWFSTD-GOSISDBHSA-N 0 3 295.430 3.389 20 30 CGEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001317056081 933521153 /nfs/dbraw/zinc/52/11/53/933521153.db2.gz FWZKOIXPIOCSPN-NSHDSACASA-N 0 3 298.839 3.058 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)[C@@](C)(CC)CCCCC)C1 ZINC001317069121 933524623 /nfs/dbraw/zinc/52/46/23/933524623.db2.gz FOCWKYZRCLHEOZ-WMZOPIPTSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001317177123 933548511 /nfs/dbraw/zinc/54/85/11/933548511.db2.gz RTNYRQTWVJTAKR-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(CCNC(=O)c1ccccc1C1(C)CC1)C1CC1 ZINC001317557182 933619562 /nfs/dbraw/zinc/61/95/62/933619562.db2.gz SSTABLKGTYNIET-UHFFFAOYSA-N 0 3 298.430 3.118 20 30 CGEDHN COCC#CCN1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001319582458 933895898 /nfs/dbraw/zinc/89/58/98/933895898.db2.gz GTLLSARCFQEAOE-ROUUACIJSA-N 0 3 269.388 3.038 20 30 CGEDHN C#CCN(Cc1cccc(OCC=C)c1)CC1CC1 ZINC001319726523 933924023 /nfs/dbraw/zinc/92/40/23/933924023.db2.gz IREKXTSMTYZGGE-UHFFFAOYSA-N 0 3 255.361 3.097 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001320085421 933995398 /nfs/dbraw/zinc/99/53/98/933995398.db2.gz QQKNTKJZIKGYDX-KRWDZBQOSA-N 0 3 278.440 3.089 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC001320427544 934046776 /nfs/dbraw/zinc/04/67/76/934046776.db2.gz GGQZINWJAOWNOM-AAEUAGOBSA-N 0 3 281.421 3.269 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(OCC(C)C)cc1 ZINC001320582906 934069559 /nfs/dbraw/zinc/06/95/59/934069559.db2.gz AXACGFJEJHGQGT-HNNXBMFYSA-N 0 3 263.381 3.012 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC001320998571 934132952 /nfs/dbraw/zinc/13/29/52/934132952.db2.gz DPLLQMWSAPXIGX-BLLLJJGKSA-N 0 3 275.392 3.208 20 30 CGEDHN C=CCN(Cc1ccc(-c2cnn(C)c2)cc1)C1CC1 ZINC001321072806 934146440 /nfs/dbraw/zinc/14/64/40/934146440.db2.gz CVJRACILLQOXTM-UHFFFAOYSA-N 0 3 267.376 3.238 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](CCC)c1ccc(OC)cc1 ZINC001321242370 934167863 /nfs/dbraw/zinc/16/78/63/934167863.db2.gz WJQCNNHVNRMOKX-HOCLYGCPSA-N 0 3 263.381 3.327 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc2ccccc21 ZINC001322294726 934272641 /nfs/dbraw/zinc/27/26/41/934272641.db2.gz VUBPHWITCPQVLC-CQSZACIVSA-N 0 3 282.387 3.076 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001323232265 934377253 /nfs/dbraw/zinc/37/72/53/934377253.db2.gz PFZLPMLMFUICBE-NEPJUHHUSA-N 0 3 296.798 3.092 20 30 CGEDHN C=CCO[C@@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC001323965733 934445030 /nfs/dbraw/zinc/44/50/30/934445030.db2.gz PQEAEVNDSZUFSA-VQTKUKTRSA-N 0 3 279.330 3.255 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001324321630 934485002 /nfs/dbraw/zinc/48/50/02/934485002.db2.gz FVUSANBGNPGRDG-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN N#Cc1ccc(F)cc1NC[C@@H]1CCCCN1C1CC1 ZINC001472777313 937783663 /nfs/dbraw/zinc/78/36/63/937783663.db2.gz TWIGWXUPYFZETQ-HNNXBMFYSA-N 0 3 273.355 3.126 20 30 CGEDHN N#Cc1ccc(N2CCN(CCC3CCC3)CC2)c(F)c1 ZINC001473141533 937794335 /nfs/dbraw/zinc/79/43/35/937794335.db2.gz RJBMKMBXLPKZMD-UHFFFAOYSA-N 0 3 287.382 3.010 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2CC[C@H](C3CC3)O2)C2CC2)cc1 ZINC001473304933 937801560 /nfs/dbraw/zinc/80/15/60/937801560.db2.gz TYHYNDMFDDCIMP-RBUKOAKNSA-N 0 3 296.414 3.480 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC001325619303 934920430 /nfs/dbraw/zinc/92/04/30/934920430.db2.gz BRKAFYCMDKYZOP-PWSUYJOCSA-N 0 3 269.772 3.200 20 30 CGEDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(C#N)cn1 ZINC001326609358 934993890 /nfs/dbraw/zinc/99/38/90/934993890.db2.gz CJEYQTWKORFCCP-IUODEOHRSA-N 0 3 293.370 3.305 20 30 CGEDHN C=CC(C)(C)C(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001327696316 935078021 /nfs/dbraw/zinc/07/80/21/935078021.db2.gz QLDLPLHLJHFCAI-UHFFFAOYSA-N 0 3 286.419 3.239 20 30 CGEDHN N#CC1(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC001328972120 935176521 /nfs/dbraw/zinc/17/65/21/935176521.db2.gz NEWKSMKPHDNGJA-HRCADAONSA-N 0 3 252.361 3.026 20 30 CGEDHN Cc1c(C#N)cccc1C(=O)Nc1ccccc1CN(C)C ZINC001329018718 935179465 /nfs/dbraw/zinc/17/94/65/935179465.db2.gz TUMHXNMXCSPMSX-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(OCCC)cc1C ZINC001329548678 935227457 /nfs/dbraw/zinc/22/74/57/935227457.db2.gz PHJKEPDODTWBQV-HNNXBMFYSA-N 0 3 263.381 3.074 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC001329746374 935243327 /nfs/dbraw/zinc/24/33/27/935243327.db2.gz UKILLNHXPMUCGM-HZMBPMFUSA-N 0 3 269.747 3.257 20 30 CGEDHN C=CCN(C)CCN(C(=O)C[C@H]1CCC[C@@H]1C)C(C)C ZINC001332707294 935483120 /nfs/dbraw/zinc/48/31/20/935483120.db2.gz LKAVVLUSSPQVMG-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN CC[C@H](Cc1ccc(F)cc1)NC[C@@H](C#N)CCC#N ZINC001336795201 936218203 /nfs/dbraw/zinc/21/82/03/936218203.db2.gz SVBYEINRNCQELE-GDBMZVCRSA-N 0 3 273.355 3.180 20 30 CGEDHN C=CCCC[C@@H](NC(=O)[C@H](N)CC1CC1)c1ccccc1 ZINC001337069703 936235487 /nfs/dbraw/zinc/23/54/87/936235487.db2.gz YJHVLWNOAJCMLV-IAGOWNOFSA-N 0 3 286.419 3.328 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001473832608 937823807 /nfs/dbraw/zinc/82/38/07/937823807.db2.gz LKJDYGMCHMZJAZ-LLVKDONJSA-N 0 3 299.340 3.410 20 30 CGEDHN C=CC(C)(C)CNCc1nc(Br)cs1 ZINC001474528167 937864778 /nfs/dbraw/zinc/86/47/78/937864778.db2.gz IVHFBJSEZNHCND-UHFFFAOYSA-N 0 3 275.215 3.207 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](NCC(=C)Cl)C1 ZINC001479454703 937921296 /nfs/dbraw/zinc/92/12/96/937921296.db2.gz OMSXKSHHDGAOMB-UONOGXRCSA-N 0 3 298.858 3.216 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001479737172 937924958 /nfs/dbraw/zinc/92/49/58/937924958.db2.gz BKTBTVFMRZRKRB-IXDOHACOSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001480092812 937932040 /nfs/dbraw/zinc/93/20/40/937932040.db2.gz FCMRMDBQMHULPJ-ZACQAIPSSA-N 0 3 292.467 3.454 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1CCC[C@@H]1CCC ZINC001493300746 937949250 /nfs/dbraw/zinc/94/92/50/937949250.db2.gz RXPHMHMKSGTSFT-DLBZAZTESA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001493321678 937949618 /nfs/dbraw/zinc/94/96/18/937949618.db2.gz IYVRITPLDBFONU-JKSUJKDBSA-N 0 3 294.483 3.156 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@H](NC/C=C\Cl)C[C@H]2C)CC1 ZINC001507320526 937995019 /nfs/dbraw/zinc/99/50/19/937995019.db2.gz NJMRAWKGHDSDAB-QMVQRKLUSA-N 0 3 296.842 3.064 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@H](NC/C=C/Cl)C[C@@H]2C)CC1 ZINC001507320519 937995107 /nfs/dbraw/zinc/99/51/07/937995107.db2.gz NJMRAWKGHDSDAB-JGAQIUESSA-N 0 3 296.842 3.064 20 30 CGEDHN C=CC1(CC(=O)N2C[C@H](NCCF)C[C@H]2C)CCCCC1 ZINC001507324515 937995134 /nfs/dbraw/zinc/99/51/34/937995134.db2.gz KOILLIZOJOBLMB-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCCC(C)C ZINC001526593252 938056592 /nfs/dbraw/zinc/05/65/92/938056592.db2.gz CRVDOWYNHUWHLC-ZDUSSCGKSA-N 0 3 261.369 3.296 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)C1CCCCC1 ZINC001542881467 938137406 /nfs/dbraw/zinc/13/74/06/938137406.db2.gz KBAOGEKMQNONCY-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN CC(C)N(Cc1ccco1)C[C@@H](O)c1cccc(C#N)c1 ZINC001559506394 938227988 /nfs/dbraw/zinc/22/79/88/938227988.db2.gz ZREOKCGMDRKHCB-QGZVFWFLSA-N 0 3 284.359 3.095 20 30 CGEDHN C=CC[C@H](C)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001559543014 938228866 /nfs/dbraw/zinc/22/88/66/938228866.db2.gz KIAOELFXOGTBTB-BFHYXJOUSA-N 0 3 282.428 3.281 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC001559554936 938229461 /nfs/dbraw/zinc/22/94/61/938229461.db2.gz OATFDMRBXLIFDJ-HLLBOEOZSA-N 0 3 287.403 3.291 20 30 CGEDHN CCCCCCCCCN1C[C@H](C)O[C@H](COC)C1 ZINC001559762773 938235000 /nfs/dbraw/zinc/23/50/00/938235000.db2.gz UEBSUXFFVUWRSI-HOTGVXAUSA-N 0 3 271.445 3.473 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)[C@@H](CO)CC(C)(C)C ZINC001559839466 938236920 /nfs/dbraw/zinc/23/69/20/938236920.db2.gz DBOWXUCKTFZXPD-MRXNPFEDSA-N 0 3 293.838 3.420 20 30 CGEDHN C[C@H]1c2sccc2CCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001560112963 938244267 /nfs/dbraw/zinc/24/42/67/938244267.db2.gz TYASGQPHQUEBFX-BLLLJJGKSA-N 0 3 298.411 3.272 20 30 CGEDHN CCCCCCCCCN1CCO[C@@H]2COCC[C@@H]21 ZINC001560175628 938246150 /nfs/dbraw/zinc/24/61/50/938246150.db2.gz XNRPJDYRUCAWQT-JKSUJKDBSA-N 0 3 269.429 3.227 20 30 CGEDHN C=CCCCN(CC)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001560204560 938247026 /nfs/dbraw/zinc/24/70/26/938247026.db2.gz PZONOQVSVVFCGP-AWEZNQCLSA-N 0 3 267.413 3.395 20 30 CGEDHN C#C[C@H](NCc1ccc2c(c1)OC(F)(F)O2)C(C)(C)C ZINC001560863191 938280432 /nfs/dbraw/zinc/28/04/32/938280432.db2.gz KRSLZMJBCDPBQB-ZDUSSCGKSA-N 0 3 281.302 3.146 20 30 CGEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001561009516 938289216 /nfs/dbraw/zinc/28/92/16/938289216.db2.gz DFTVVESXPYOQCH-OUCADQQQSA-N 0 3 258.340 3.223 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC(C)C ZINC001565831830 960835589 /nfs/dbraw/zinc/83/55/89/960835589.db2.gz OMZJXWZWPISUNM-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001565876252 960848706 /nfs/dbraw/zinc/84/87/06/960848706.db2.gz WVQSTJDUTSCFFZ-HDJSIYSDSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001566525058 960955472 /nfs/dbraw/zinc/95/54/72/960955472.db2.gz HIMIKFZXLFWFTJ-UKRRQHHQSA-N 0 3 298.858 3.288 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNC[C@H](F)CC ZINC001566939950 961066247 /nfs/dbraw/zinc/06/62/47/961066247.db2.gz SBQFZDHZFDTFKD-HUUCEWRRSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1=CCCCCC1 ZINC001567214090 961145706 /nfs/dbraw/zinc/14/57/06/961145706.db2.gz KKCMIQBJTPPKDB-ZDUSSCGKSA-N 0 3 284.831 3.114 20 30 CGEDHN C=C(C)CCC(=O)NCCN(C)[C@@H](C)c1ccccc1 ZINC001567284670 961268628 /nfs/dbraw/zinc/26/86/28/961268628.db2.gz RBGOYXZZTOTMFE-HNNXBMFYSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCN(CC)CCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001567345011 961288311 /nfs/dbraw/zinc/28/83/11/961288311.db2.gz DSAFHQWCANDIKJ-CQSZACIVSA-N 0 3 268.445 3.073 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001567771750 961430141 /nfs/dbraw/zinc/43/01/41/961430141.db2.gz IBSSPVCPEFMYMZ-KRWDZBQOSA-N 0 3 286.419 3.042 20 30 CGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001567878356 961457697 /nfs/dbraw/zinc/45/76/97/961457697.db2.gz ARZBWLBKRWDVTE-HNNXBMFYSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H](CNC[C@@H](F)CC)CC(C)C)C1 ZINC001568335405 961554421 /nfs/dbraw/zinc/55/44/21/961554421.db2.gz GFZAYBKLPBZXEU-LSDHHAIUSA-N 0 3 298.446 3.211 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1ccc2ccccc2c1 ZINC001569149863 961712440 /nfs/dbraw/zinc/71/24/40/961712440.db2.gz MTYSWPWOFCLFMV-OAHLLOKOSA-N 0 3 296.414 3.005 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001569346083 961737073 /nfs/dbraw/zinc/73/70/73/961737073.db2.gz AXIOKEOTGGSMMV-SWLSCSKDSA-N 0 3 290.407 3.055 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001569370054 961750247 /nfs/dbraw/zinc/75/02/47/961750247.db2.gz LTGLSTWITZFDHG-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001569369529 961755014 /nfs/dbraw/zinc/75/50/14/961755014.db2.gz HRNHEXICCOZBBJ-FUHWJXTLSA-N 0 3 290.451 3.280 20 30 CGEDHN CC#CCNC1(CNC(=O)c2ccc([C@@H](C)CC)cc2)CC1 ZINC001569432705 961771274 /nfs/dbraw/zinc/77/12/74/961771274.db2.gz YUDISLHWUMWVDX-HNNXBMFYSA-N 0 3 298.430 3.075 20 30 CGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001569711365 961831548 /nfs/dbraw/zinc/83/15/48/961831548.db2.gz BETCKDGFZPWBIP-WMZOPIPTSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001569716530 961831850 /nfs/dbraw/zinc/83/18/50/961831850.db2.gz SVJGBQGAECJIMM-RKVPGOIHSA-N 0 3 292.467 3.073 20 30 CGEDHN CC#CCNC1(CNC(=O)c2ccc(C(C)C)cc2)CCC1 ZINC001570125445 961913577 /nfs/dbraw/zinc/91/35/77/961913577.db2.gz YWFDMJPCZVSRMS-UHFFFAOYSA-N 0 3 298.430 3.075 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001570540698 961985582 /nfs/dbraw/zinc/98/55/82/961985582.db2.gz RPKBXONPGJFYKK-SJLPKXTDSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)CC(C)C ZINC001570543136 961986299 /nfs/dbraw/zinc/98/62/99/961986299.db2.gz CTPHCDFZJCTISR-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC001574920836 962333847 /nfs/dbraw/zinc/33/38/47/962333847.db2.gz LOFSDNDPJPKYIB-HNNXBMFYSA-N 0 3 285.391 3.155 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H](OC)C[C@H]1C ZINC001577426799 962542941 /nfs/dbraw/zinc/54/29/41/962542941.db2.gz WXRWERDULGWNTI-PMPSAXMXSA-N 0 3 298.471 3.090 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337424901 214073606 /nfs/dbraw/zinc/07/36/06/214073606.db2.gz RZUZHYNTHJNMCP-KBPBESRZSA-N 0 3 298.308 3.337 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1 ZINC000590599315 346853760 /nfs/dbraw/zinc/85/37/60/346853760.db2.gz GIHIQXRYAJGXEH-KRWDZBQOSA-N 0 3 277.371 3.333 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cnnn1-c1ccccc1 ZINC000651748534 398281165 /nfs/dbraw/zinc/28/11/65/398281165.db2.gz PCAHIIRQEDQIEG-CQSZACIVSA-N 0 3 270.380 3.102 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(-n2ccnc2)cc1 ZINC000096969269 185143079 /nfs/dbraw/zinc/14/30/79/185143079.db2.gz COQUVQAUECVQPO-UHFFFAOYSA-N 0 3 253.349 3.046 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651821901 398293378 /nfs/dbraw/zinc/29/33/78/398293378.db2.gz AVRZKGDCONZKHL-AGIUHOORSA-N 0 3 281.758 3.400 20 30 CGEDHN C[C@H](CCC#N)N1CCS[C@@H](c2ccccc2)C1 ZINC000591014874 346894596 /nfs/dbraw/zinc/89/45/96/346894596.db2.gz QLTLFMIRLROXLT-UKRRQHHQSA-N 0 3 260.406 3.469 20 30 CGEDHN Cc1cc(C#N)ccc1CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000591045374 346897468 /nfs/dbraw/zinc/89/74/68/346897468.db2.gz VCZYSTPGJFIBCS-OALUTQOASA-N 0 3 292.382 3.175 20 30 CGEDHN C=CCC[C@H](CCC)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623233138 349769475 /nfs/dbraw/zinc/76/94/75/349769475.db2.gz OFXJSIIHUOEKPH-RDJZCZTQSA-N 0 3 286.419 3.424 20 30 CGEDHN C=CC[C@@H](C)NCc1ccc(F)c(F)c1N(C)C ZINC000623422734 349804603 /nfs/dbraw/zinc/80/46/03/349804603.db2.gz CLSITVZABVPXBE-SNVBAGLBSA-N 0 3 254.324 3.085 20 30 CGEDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(C)C#N)o1 ZINC000347720561 529718058 /nfs/dbraw/zinc/71/80/58/529718058.db2.gz JCXMLGIJEUBMGB-OBJOEFQTSA-N 0 3 274.364 3.301 20 30 CGEDHN C=CCCNCc1ccc(Br)c(F)c1F ZINC000623563962 349835890 /nfs/dbraw/zinc/83/58/90/349835890.db2.gz OIEKTGSWMAXSJI-UHFFFAOYSA-N 0 3 276.124 3.393 20 30 CGEDHN C=CCOCCCNCc1ccsc1C(F)(F)F ZINC000623569388 349837622 /nfs/dbraw/zinc/83/76/22/349837622.db2.gz FCYDMLRDVFBPKD-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN C[C@@H]1CCN(Cc2ccncc2C#N)[C@H]2CCCC[C@@H]12 ZINC000592059336 346958522 /nfs/dbraw/zinc/95/85/22/346958522.db2.gz IPOJWMKDXXOOEV-COXVUDFISA-N 0 3 269.392 3.354 20 30 CGEDHN CC(C)c1ccc([C@@H](C)N2CC[C@](O)(CC#N)C2)cc1 ZINC000592151319 346967656 /nfs/dbraw/zinc/96/76/56/346967656.db2.gz LNVKWHYBJNVZIM-RHSMWYFYSA-N 0 3 272.392 3.221 20 30 CGEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)[C@@H]1SC ZINC000592168071 346968607 /nfs/dbraw/zinc/96/86/07/346968607.db2.gz STGKXRAWPCIBGF-MPESAESLSA-N 0 3 290.432 3.118 20 30 CGEDHN C[C@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CO1 ZINC000592366171 346979674 /nfs/dbraw/zinc/97/96/74/346979674.db2.gz ZUEXBUBEQHPBNE-KBXCAEBGSA-N 0 3 292.382 3.492 20 30 CGEDHN C[C@H](NCC1CCC(C#N)CC1)c1cc2n(n1)CCCC2 ZINC000592390294 346981729 /nfs/dbraw/zinc/98/17/29/346981729.db2.gz PDKNVDRFOVMKEE-NFOMZHRRSA-N 0 3 286.423 3.200 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000593029210 347029319 /nfs/dbraw/zinc/02/93/19/347029319.db2.gz QQBGIEASDLDQCN-AWEZNQCLSA-N 0 3 285.347 3.088 20 30 CGEDHN C[C@H]1CN(CCOCCC#N)CCc2ccc(Cl)cc21 ZINC000593067490 347035069 /nfs/dbraw/zinc/03/50/69/347035069.db2.gz UBDGPKAXGSNYNZ-ZDUSSCGKSA-N 0 3 292.810 3.232 20 30 CGEDHN CN(CCN1CCCCC1)Cc1ccc(Cl)cc1C#N ZINC000593111146 347040568 /nfs/dbraw/zinc/04/05/68/347040568.db2.gz DIDDASVBSKBIFE-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN C[C@@H](N[C@@H]1CNc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000593319789 347062154 /nfs/dbraw/zinc/06/21/54/347062154.db2.gz PKWKTJCHFRSSAW-WBMJQRKESA-N 0 3 295.361 3.385 20 30 CGEDHN CC[C@H](C#N)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000593401418 347071647 /nfs/dbraw/zinc/07/16/47/347071647.db2.gz CXGCQTSHFJDRDZ-CQSZACIVSA-N 0 3 273.380 3.017 20 30 CGEDHN Oc1ccccc1/C=N/[C@H]1CCN(Cc2ccccc2)C1 ZINC000005291562 344860980 /nfs/dbraw/zinc/86/09/80/344860980.db2.gz ZKSWOPXEHZPXIM-DAQNXSASSA-N 0 3 280.371 3.086 20 30 CGEDHN CC(C)=CCN1CCC(Nc2ccccc2C#N)CC1 ZINC000037203050 344948985 /nfs/dbraw/zinc/94/89/85/344948985.db2.gz IIUKNGIOYLYKIK-UHFFFAOYSA-N 0 3 269.392 3.401 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC1CCCCC1 ZINC000043999924 345005548 /nfs/dbraw/zinc/00/55/48/345005548.db2.gz KWVFZKJVUGNRTQ-AWEZNQCLSA-N 0 3 299.418 3.397 20 30 CGEDHN CN(CCOc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC000048056774 345059498 /nfs/dbraw/zinc/05/94/98/345059498.db2.gz VHQWKPJJBWDWIX-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN C[C@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)cc2Cl)C1 ZINC000351630304 219153857 /nfs/dbraw/zinc/15/38/57/219153857.db2.gz QXEQXPKVVYVFFU-SWLSCSKDSA-N 0 3 292.810 3.195 20 30 CGEDHN C#CCN(Cc1cccc(C(=O)N(C)C)c1)C1CCCCC1 ZINC000065959914 345281561 /nfs/dbraw/zinc/28/15/61/345281561.db2.gz GKWAMYLLWCDSDD-UHFFFAOYSA-N 0 3 298.430 3.156 20 30 CGEDHN Cc1cc([C@H](C)NCc2ccnc(C#N)c2)c(C)s1 ZINC000068753785 345361439 /nfs/dbraw/zinc/36/14/39/345361439.db2.gz ANWNQJLTKPJSRF-NSHDSACASA-N 0 3 271.389 3.482 20 30 CGEDHN N#CC(C(=O)c1cccc2cnccc21)c1ccccn1 ZINC000075026428 345491501 /nfs/dbraw/zinc/49/15/01/345491501.db2.gz MPSIZAXQOJFLRD-HNNXBMFYSA-N 0 3 273.295 3.120 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(O)c1 ZINC000080924000 345689552 /nfs/dbraw/zinc/68/95/52/345689552.db2.gz WFDUOLUSGUYNGF-CYBMUJFWSA-N 0 3 266.344 3.457 20 30 CGEDHN N#Cc1ccc(F)cc1CN(CC1CC1)CC1CC1 ZINC000160461715 232245246 /nfs/dbraw/zinc/24/52/46/232245246.db2.gz DINBADSYHIPHHW-UHFFFAOYSA-N 0 3 258.340 3.319 20 30 CGEDHN CCC(=O)N1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000090665771 345791532 /nfs/dbraw/zinc/79/15/32/345791532.db2.gz CTKUCCULRRVKBZ-KRWDZBQOSA-N 0 3 299.418 3.022 20 30 CGEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1snc(Cl)c1C#N ZINC000092622004 345847221 /nfs/dbraw/zinc/84/72/21/345847221.db2.gz TZLGPOAGFCGWLP-VHSXEESVSA-N 0 3 298.843 3.200 20 30 CGEDHN CN(Cc1ccnc(C#N)c1)C1CCC(C)(C)CC1 ZINC000094859650 345899420 /nfs/dbraw/zinc/89/94/20/345899420.db2.gz JAPOJBPDXHKFGD-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H]1C[C@H](C)CN(Cc2cn3ccccc3c2C#N)C1 ZINC000141200929 346107654 /nfs/dbraw/zinc/10/76/54/346107654.db2.gz PSIJQXWIWJIBPK-KBPBESRZSA-N 0 3 267.376 3.289 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(C(=O)OC)co1 ZINC000150884632 346134645 /nfs/dbraw/zinc/13/46/45/346134645.db2.gz OKAAOQLBOFRBGD-UHFFFAOYSA-N 0 3 265.353 3.244 20 30 CGEDHN CN(CCN1CCCCC1)c1c(C#N)cnc2ccccc21 ZINC000593515211 347089618 /nfs/dbraw/zinc/08/96/18/347089618.db2.gz DETUVUIZPPQCTJ-UHFFFAOYSA-N 0 3 294.402 3.029 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000289666287 346423917 /nfs/dbraw/zinc/42/39/17/346423917.db2.gz GYYNKGLXBGHLPX-VHSXEESVSA-N 0 3 274.191 3.061 20 30 CGEDHN COc1ccc2c(c1)C1(CC1)CN([C@H]1CC[C@H](C#N)C1)C2 ZINC000293542527 346431609 /nfs/dbraw/zinc/43/16/09/346431609.db2.gz KJUWFSRHWROQKC-ZFWWWQNUSA-N 0 3 282.387 3.235 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000397867647 346585301 /nfs/dbraw/zinc/58/53/01/346585301.db2.gz WQMVERMKGMXOSX-LSDHHAIUSA-N 0 3 262.397 3.104 20 30 CGEDHN C=CCOCCN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000550065582 346655022 /nfs/dbraw/zinc/65/50/22/346655022.db2.gz ABDQIPGVRUDPBS-WFASDCNBSA-N 0 3 265.784 3.367 20 30 CGEDHN C[C@H](COCC1CC1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000593715704 347106726 /nfs/dbraw/zinc/10/67/26/347106726.db2.gz BAEQFQWDEUUCSY-VXGBXAGGSA-N 0 3 276.355 3.163 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000593784964 347115961 /nfs/dbraw/zinc/11/59/61/347115961.db2.gz WZGUZSPGGBKYJF-BLLLJJGKSA-N 0 3 290.794 3.423 20 30 CGEDHN CCC(C)(C)N1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000594021316 347138500 /nfs/dbraw/zinc/13/85/00/347138500.db2.gz TTZUVQUCFDSCTM-UHFFFAOYSA-N 0 3 289.398 3.004 20 30 CGEDHN Cc1cc(CN2CCC[C@H](OC3CCC3)C2)ccc1C#N ZINC000594026165 347139629 /nfs/dbraw/zinc/13/96/29/347139629.db2.gz DYFSKYQUXSBYFV-SFHVURJKSA-N 0 3 284.403 3.400 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@H]1CCCCO1 ZINC000594041053 347143529 /nfs/dbraw/zinc/14/35/29/347143529.db2.gz JDGNKKPZPRYMGV-JKSUJKDBSA-N 0 3 276.355 3.135 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(C(=O)OC)oc1C ZINC000594610456 347203140 /nfs/dbraw/zinc/20/31/40/347203140.db2.gz SQULMIWHIMLUDV-UHFFFAOYSA-N 0 3 265.353 3.067 20 30 CGEDHN CC(C)CCN(C(=O)[C@@H](N)CCCCC#N)C1CCCC1 ZINC000594426330 347173880 /nfs/dbraw/zinc/17/38/80/347173880.db2.gz CMGAOWHCYYHMDM-INIZCTEOSA-N 0 3 293.455 3.215 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000594432721 347174506 /nfs/dbraw/zinc/17/45/06/347174506.db2.gz AXIFLGGVNCMPOB-IRXDYDNUSA-N 0 3 299.418 3.055 20 30 CGEDHN CC(C)(C#N)c1ccc(CNC2(CF)CCOCC2)cc1 ZINC000594509646 347182488 /nfs/dbraw/zinc/18/24/88/347182488.db2.gz YGXGPHQTEHTBLE-UHFFFAOYSA-N 0 3 290.382 3.096 20 30 CGEDHN CO[C@H](CNCc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000594515511 347185919 /nfs/dbraw/zinc/18/59/19/347185919.db2.gz VUGNOHVBIVIRCU-MRXNPFEDSA-N 0 3 274.408 3.248 20 30 CGEDHN C[C@@H](NC[C@]1(C)CC1(F)F)c1cccc(C#N)c1 ZINC000594732668 347214097 /nfs/dbraw/zinc/21/40/97/347214097.db2.gz WIRCANYHMUZONO-MFKMUULPSA-N 0 3 250.292 3.254 20 30 CGEDHN N#CC1(c2ccc(CNCCOC3CCCC3)cc2)CC1 ZINC000594917370 347228776 /nfs/dbraw/zinc/22/87/76/347228776.db2.gz JCHKIHUFKWDXHP-UHFFFAOYSA-N 0 3 284.403 3.291 20 30 CGEDHN C=CCCSCCNCc1cc(OC)ccc1OC ZINC000594959794 347240635 /nfs/dbraw/zinc/24/06/35/347240635.db2.gz FBRXSJWSHBPDKR-UHFFFAOYSA-N 0 3 281.421 3.103 20 30 CGEDHN C=CCCSCCNCc1nc2ccccc2n1CC ZINC000594960036 347241293 /nfs/dbraw/zinc/24/12/93/347241293.db2.gz IIXKGMWJBROACY-UHFFFAOYSA-N 0 3 289.448 3.455 20 30 CGEDHN C=CCCSCCNCc1cc(OC)ccc1F ZINC000594960426 347241447 /nfs/dbraw/zinc/24/14/47/347241447.db2.gz QGRONBVPFFVLEG-UHFFFAOYSA-N 0 3 269.385 3.233 20 30 CGEDHN CC(C)[C@H]1CN(CCc2ccc(C#N)cc2)CCS1 ZINC000595330292 347293312 /nfs/dbraw/zinc/29/33/12/347293312.db2.gz IIFQGQUCIKAUDP-MRXNPFEDSA-N 0 3 274.433 3.174 20 30 CGEDHN N#Cc1ccc(CCN2CCc3cccc(F)c3C2)cc1 ZINC000595408106 347299483 /nfs/dbraw/zinc/29/94/83/347299483.db2.gz MNWVFFXOUIVIAN-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN C[C@H](N[C@H]1CCN(C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000595056875 347272360 /nfs/dbraw/zinc/27/23/60/347272360.db2.gz SAHTXWHVFXQUPA-JSGCOSHPSA-N 0 3 289.398 3.221 20 30 CGEDHN C=CCCSCCN[C@H](C)c1ccc(OC)c(O)c1 ZINC000595059810 347274047 /nfs/dbraw/zinc/27/40/47/347274047.db2.gz PFDDDARQCACJII-GFCCVEGCSA-N 0 3 281.421 3.361 20 30 CGEDHN CC[C@H](NCCO[C@@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000595069635 347276848 /nfs/dbraw/zinc/27/68/48/347276848.db2.gz OQUQSJLOMWHQEG-UONOGXRCSA-N 0 3 280.318 3.023 20 30 CGEDHN C[C@H](COc1c(F)cccc1F)N[C@@H]1CCC[C@H](C#N)C1 ZINC000595073376 347277519 /nfs/dbraw/zinc/27/75/19/347277519.db2.gz WRZXHTKWWAQIJR-FRRDWIJNSA-N 0 3 294.345 3.404 20 30 CGEDHN C[C@@H]1CCC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)O1 ZINC000595076144 347278195 /nfs/dbraw/zinc/27/81/95/347278195.db2.gz FMOAZXXROHTGHY-VMGRFDJRSA-N 0 3 270.376 3.093 20 30 CGEDHN CC1(C)C[C@@H](NCC2(C#N)CCCCC2)C(C)(C)O1 ZINC000595090191 347280394 /nfs/dbraw/zinc/28/03/94/347280394.db2.gz FKGRBASXEWUDSI-CYBMUJFWSA-N 0 3 264.413 3.396 20 30 CGEDHN N#CC1(CNC2CC(CF)(CF)C2)CCCCC1 ZINC000595091924 347280978 /nfs/dbraw/zinc/28/09/78/347280978.db2.gz USUYBSUXNYWVRA-UHFFFAOYSA-N 0 3 256.340 3.138 20 30 CGEDHN CC1(C)[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1(F)F ZINC000595095019 347282022 /nfs/dbraw/zinc/28/20/22/347282022.db2.gz SWUNFOSSXSXNDJ-UONOGXRCSA-N 0 3 276.330 3.426 20 30 CGEDHN CC(C)[C@H](O)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000595096271 347282997 /nfs/dbraw/zinc/28/29/97/347282997.db2.gz IQAANXAYDRPGOD-XBVQOTNRSA-N 0 3 272.392 3.026 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000595603194 347324870 /nfs/dbraw/zinc/32/48/70/347324870.db2.gz KYRWUIQANKXMCA-BBRMVZONSA-N 0 3 255.365 3.178 20 30 CGEDHN Cc1cc(CN2CCC[C@@H](CCF)C2)ccc1C#N ZINC000595755504 347350158 /nfs/dbraw/zinc/35/01/58/347350158.db2.gz NBBPKJAHTFFXKG-AWEZNQCLSA-N 0 3 260.356 3.438 20 30 CGEDHN COc1cccc([C@]2(C)CCN([C@@H](C)CCC#N)C2)c1 ZINC000595764440 347352447 /nfs/dbraw/zinc/35/24/47/347352447.db2.gz ISZDFSKUWVWKFB-WMLDXEAASA-N 0 3 272.392 3.351 20 30 CGEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595471406 347308460 /nfs/dbraw/zinc/30/84/60/347308460.db2.gz AKLCZNXKAOLMPU-ZACQAIPSSA-N 0 3 295.430 3.375 20 30 CGEDHN CN(c1ccccc1)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000595826284 347362110 /nfs/dbraw/zinc/36/21/10/347362110.db2.gz LWSUEULUKWLOCU-HNNXBMFYSA-N 0 3 297.427 3.330 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)c(F)c1 ZINC000595844212 347366065 /nfs/dbraw/zinc/36/60/65/347366065.db2.gz CEHXLUQNTLEHQM-GASCZTMLSA-N 0 3 256.324 3.380 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000595845025 347367390 /nfs/dbraw/zinc/36/73/90/347367390.db2.gz KLTBZOKSUJJUHJ-XYPHTWIQSA-N 0 3 295.386 3.068 20 30 CGEDHN C[C@]1(C#N)CCN(C[C@@H]2CCc3ccccc3C2)C1 ZINC000595844566 347367455 /nfs/dbraw/zinc/36/74/55/347367455.db2.gz VBQCKJYEYYPNSF-RHSMWYFYSA-N 0 3 254.377 3.027 20 30 CGEDHN N#Cc1cccc(NC(=O)CN(CCC2CC2)CC2CC2)c1 ZINC000595871382 347368739 /nfs/dbraw/zinc/36/87/39/347368739.db2.gz MBPDWRQNAFVBNX-UHFFFAOYSA-N 0 3 297.402 3.009 20 30 CGEDHN C[C@@H](CN1CCC(C)CC1)Nc1ncc(C#N)cc1Cl ZINC000596489523 347467592 /nfs/dbraw/zinc/46/75/92/347467592.db2.gz WKAUEOVWQZJONF-LBPRGKRZSA-N 0 3 292.814 3.139 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(N)ccc31)CC2 ZINC000596653866 347498522 /nfs/dbraw/zinc/49/85/22/347498522.db2.gz XHQXQWXBKUWAFX-OALUTQOASA-N 0 3 289.382 3.405 20 30 CGEDHN C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1cccc(C#N)c1 ZINC000596652257 347498705 /nfs/dbraw/zinc/49/87/05/347498705.db2.gz OVRPOIIKXKBRHA-KPZWWZAWSA-N 0 3 277.371 3.479 20 30 CGEDHN COc1c(C)cc(CN2CCC[C@@H](CC#N)C2)cc1C ZINC000597175049 347544356 /nfs/dbraw/zinc/54/43/56/347544356.db2.gz VABROIVJGOREBC-HNNXBMFYSA-N 0 3 272.392 3.438 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597175851 347544631 /nfs/dbraw/zinc/54/46/31/347544631.db2.gz FIZGIQOKRXXHPZ-OAHLLOKOSA-N 0 3 279.387 3.367 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977361 347523594 /nfs/dbraw/zinc/52/35/94/347523594.db2.gz KMRZVCXPLUGRDE-UHFFFAOYSA-N 0 3 252.361 3.416 20 30 CGEDHN CC[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597122948 347537437 /nfs/dbraw/zinc/53/74/37/347537437.db2.gz BNTDWQVCWXXPFZ-QGZVFWFLSA-N 0 3 284.403 3.243 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(C(F)F)cc1 ZINC000598724091 347683039 /nfs/dbraw/zinc/68/30/39/347683039.db2.gz MDCCZNLOZKDXRC-ZDUSSCGKSA-N 0 3 282.334 3.015 20 30 CGEDHN C=CC(C)(C)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000598985170 347703480 /nfs/dbraw/zinc/70/34/80/347703480.db2.gz JPGMRDHJHWGVGC-UHFFFAOYSA-N 0 3 266.316 3.426 20 30 CGEDHN C=CCCNCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598981406 347703880 /nfs/dbraw/zinc/70/38/80/347703880.db2.gz PIRWYBFFIHWSMQ-UHFFFAOYSA-N 0 3 267.394 3.369 20 30 CGEDHN Cc1ccc([C@H]2CCCCN2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593516 347668671 /nfs/dbraw/zinc/66/86/71/347668671.db2.gz UHEIHSXTMKGUCS-HUUCEWRRSA-N 0 3 290.407 3.416 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000598618365 347671357 /nfs/dbraw/zinc/67/13/57/347671357.db2.gz WTENBPWGWUSXRK-OCCSQVGLSA-N 0 3 292.448 3.432 20 30 CGEDHN CC(C)SCCN1CCc2c(CC#N)cccc2C1 ZINC000599677346 347764317 /nfs/dbraw/zinc/76/43/17/347764317.db2.gz FOJQEIQMXYRPCX-UHFFFAOYSA-N 0 3 274.433 3.252 20 30 CGEDHN CCO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000599349604 347738352 /nfs/dbraw/zinc/73/83/52/347738352.db2.gz KNSXZEDYBUFUIR-BLLLJJGKSA-N 0 3 258.365 3.024 20 30 CGEDHN CCO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599434223 347744918 /nfs/dbraw/zinc/74/49/18/347744918.db2.gz VDZQIVSQLBQSPH-YOEHRIQHSA-N 0 3 272.392 3.114 20 30 CGEDHN CCO[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599440364 347745581 /nfs/dbraw/zinc/74/55/81/347745581.db2.gz QLUVMNDFUJMGTH-DYVFJYSZSA-N 0 3 272.392 3.366 20 30 CGEDHN CC(C)(C#N)CCN[C@H](c1ccccn1)C1CCC1 ZINC000599573624 347755208 /nfs/dbraw/zinc/75/52/08/347755208.db2.gz JXFOKAWFAZZAGU-HNNXBMFYSA-N 0 3 257.381 3.452 20 30 CGEDHN N#CC1(C[C@H](O)CNCc2ccc(Cl)cc2Cl)CC1 ZINC000600713375 347830165 /nfs/dbraw/zinc/83/01/65/347830165.db2.gz ICVSUHXLWBWPQZ-LBPRGKRZSA-N 0 3 299.201 3.138 20 30 CGEDHN C=CC(C)(C)CCNCc1ccc(C(=O)OCC)o1 ZINC000600185007 347790464 /nfs/dbraw/zinc/79/04/64/347790464.db2.gz PQFMEJNFVSKPTF-UHFFFAOYSA-N 0 3 265.353 3.148 20 30 CGEDHN Cc1ccc(-c2cccc([C@@H]3CNCCO3)c2)c(C#N)c1 ZINC000600777165 347833946 /nfs/dbraw/zinc/83/39/46/347833946.db2.gz PMUKPDFWWAQXOH-SFHVURJKSA-N 0 3 278.355 3.195 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCC12CC2 ZINC000600802219 347837747 /nfs/dbraw/zinc/83/77/47/347837747.db2.gz FOEYSHNCZBVZHU-DLBZAZTESA-N 0 3 296.414 3.455 20 30 CGEDHN Cc1cc(NC(=O)C2(C#N)CC3(CC3)C2)ccc1CN(C)C ZINC000601631759 347901246 /nfs/dbraw/zinc/90/12/46/347901246.db2.gz FIFMMVNQMGWNFM-UHFFFAOYSA-N 0 3 297.402 3.079 20 30 CGEDHN CCO[C@H](CCNCc1cccc(F)c1C#N)C(C)C ZINC000602011586 347932395 /nfs/dbraw/zinc/93/23/95/347932395.db2.gz HXYMIBZIHCWTNQ-MRXNPFEDSA-N 0 3 278.371 3.238 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H]1CCc2cc(O)ccc2C1 ZINC000602016650 347933124 /nfs/dbraw/zinc/93/31/24/347933124.db2.gz IIJHWJSOLQAFEE-HNNXBMFYSA-N 0 3 296.345 3.050 20 30 CGEDHN CC(C)(C)[C@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602014433 347933428 /nfs/dbraw/zinc/93/34/28/347933428.db2.gz DEVLORTZFXKGLM-CZUORRHYSA-N 0 3 290.382 3.381 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H]1CCc2cc(O)ccc2C1 ZINC000602016651 347933533 /nfs/dbraw/zinc/93/35/33/347933533.db2.gz IIJHWJSOLQAFEE-OAHLLOKOSA-N 0 3 296.345 3.050 20 30 CGEDHN C[C@@H](CCC#N)CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000602475622 347964975 /nfs/dbraw/zinc/96/49/75/347964975.db2.gz LOZFTPCZWFHJDW-YJBOKZPZSA-N 0 3 284.403 3.100 20 30 CGEDHN CC[C@@H](Cc1ccccc1)N(C)Cc1cccc(C#N)n1 ZINC000602478227 347966043 /nfs/dbraw/zinc/96/60/43/347966043.db2.gz WVMFEOCUPVDOGU-SFHVURJKSA-N 0 3 279.387 3.406 20 30 CGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(F)cc1 ZINC000602503934 347971314 /nfs/dbraw/zinc/97/13/14/347971314.db2.gz PGYLDXUQZDBDGK-ZDUSSCGKSA-N 0 3 276.355 3.014 20 30 CGEDHN C[C@H](OCCCNCc1cccc(C#N)n1)c1ccccc1 ZINC000602510167 347973086 /nfs/dbraw/zinc/97/30/86/347973086.db2.gz DNIWFQOCPOHAEV-HNNXBMFYSA-N 0 3 295.386 3.211 20 30 CGEDHN CC[C@@H](CNCc1cccc(C#N)n1)Oc1cccc(C)c1 ZINC000602521403 347975218 /nfs/dbraw/zinc/97/52/18/347975218.db2.gz QJWWHRLHPBSAEK-KRWDZBQOSA-N 0 3 295.386 3.209 20 30 CGEDHN COc1ccc(CC[C@H](C)NCc2cccc(C#N)n2)cc1 ZINC000602526560 347975731 /nfs/dbraw/zinc/97/57/31/347975731.db2.gz XNSLJTAPAYNRPX-AWEZNQCLSA-N 0 3 295.386 3.073 20 30 CGEDHN N#CC1CCC(N[C@@H]2COc3ccc(Cl)cc32)CC1 ZINC000602570165 347985092 /nfs/dbraw/zinc/98/50/92/347985092.db2.gz SHMDOKOOQCXAEA-MMWSSPAHSA-N 0 3 276.767 3.445 20 30 CGEDHN C[C@H]1CCc2ccccc2[C@H]1NCc1cccc(C#N)n1 ZINC000602577686 347986610 /nfs/dbraw/zinc/98/66/10/347986610.db2.gz ITJPTZZHBKNHCX-UGSOOPFHSA-N 0 3 277.371 3.366 20 30 CGEDHN Cc1cc(C)c(NC(=O)CNC[C@H](C)CCC#N)c(C)c1 ZINC000602586226 347988652 /nfs/dbraw/zinc/98/86/52/347988652.db2.gz LDMOLOCCPWTZNX-GFCCVEGCSA-N 0 3 287.407 3.080 20 30 CGEDHN CC(C)(COCc1ccccc1)NCc1cccc(C#N)n1 ZINC000602646209 348000575 /nfs/dbraw/zinc/00/05/75/348000575.db2.gz ANFXFSCCTZVKOC-UHFFFAOYSA-N 0 3 295.386 3.038 20 30 CGEDHN C[C@H](C1CCCCC1)N(C)Cc1cccc(C#N)n1 ZINC000602653510 348001420 /nfs/dbraw/zinc/00/14/20/348001420.db2.gz MDBJTACTYFLVQN-CYBMUJFWSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H](CCC#N)CN1Cc2ccccc2O[C@H](C)C1 ZINC000602670659 348005975 /nfs/dbraw/zinc/00/59/75/348005975.db2.gz BJQLRIAYTFPGIS-ZIAGYGMSSA-N 0 3 258.365 3.209 20 30 CGEDHN C=CC(C)(C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677252 348006842 /nfs/dbraw/zinc/00/68/42/348006842.db2.gz WPXHDWFXEUFVCF-UHFFFAOYSA-N 0 3 275.308 3.038 20 30 CGEDHN C[C@@]1(CNCC2(C#N)CCC2)C[C@H]1c1ccccc1 ZINC000602694147 348010365 /nfs/dbraw/zinc/01/03/65/348010365.db2.gz GEHRFMBFXLGOBA-HOTGVXAUSA-N 0 3 254.377 3.464 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cccnc3CC2)CCCC1 ZINC000602697530 348011174 /nfs/dbraw/zinc/01/11/74/348011174.db2.gz AFBLIEZTNROIFH-OAHLLOKOSA-N 0 3 269.392 3.003 20 30 CGEDHN COCC1(C2CC2)CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000602731985 348020389 /nfs/dbraw/zinc/02/03/89/348020389.db2.gz MKWJTDVSMGJDTI-UHFFFAOYSA-N 0 3 298.430 3.346 20 30 CGEDHN CCOC(=O)C(CC)(CC)CNCc1cc(C#N)cs1 ZINC000602736501 348021729 /nfs/dbraw/zinc/02/17/29/348021729.db2.gz YISQDPIRCRAEGT-UHFFFAOYSA-N 0 3 294.420 3.079 20 30 CGEDHN COc1c(C)cc(CN(C)CC2(CC#N)CC2)cc1C ZINC000602771128 348026680 /nfs/dbraw/zinc/02/66/80/348026680.db2.gz DJYGYNYMIFPLJK-UHFFFAOYSA-N 0 3 272.392 3.438 20 30 CGEDHN C[C@@H](CCC#N)CNCc1nc(C(C)(C)C)cs1 ZINC000602541508 347978223 /nfs/dbraw/zinc/97/82/23/347978223.db2.gz PSQDYUDSRJXLBN-NSHDSACASA-N 0 3 265.426 3.470 20 30 CGEDHN N#CCC1(CN2CCC=C(c3ccccc3)C2)CC1 ZINC000602824892 348033780 /nfs/dbraw/zinc/03/37/80/348033780.db2.gz DOCGXISQUNJQBR-UHFFFAOYSA-N 0 3 252.361 3.470 20 30 CGEDHN C[C@@H](c1ccccn1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908895 348042533 /nfs/dbraw/zinc/04/25/33/348042533.db2.gz WFPIXZZJRWKFOO-AWEZNQCLSA-N 0 3 292.386 3.289 20 30 CGEDHN C=C(CC)CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908928 348042541 /nfs/dbraw/zinc/04/25/41/348042541.db2.gz XDBIJRQLJPPNHV-UHFFFAOYSA-N 0 3 255.365 3.099 20 30 CGEDHN N#CCC1(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000602918982 348043232 /nfs/dbraw/zinc/04/32/32/348043232.db2.gz IUQVWHFWOYNMDR-CABCVRRESA-N 0 3 292.329 3.078 20 30 CGEDHN N#CCC1(CN[C@@H](c2ccccn2)C2CCC2)CC1 ZINC000602919366 348044547 /nfs/dbraw/zinc/04/45/47/348044547.db2.gz ZKMWMRKJMKMMCW-OAHLLOKOSA-N 0 3 255.365 3.206 20 30 CGEDHN COc1cccc(CN(CCCC#N)CC(C)C)c1 ZINC000604494659 348121556 /nfs/dbraw/zinc/12/15/56/348121556.db2.gz TXAWOTGACZQCQD-UHFFFAOYSA-N 0 3 260.381 3.457 20 30 CGEDHN CN(CCCC(C)(C)C#N)CC(=O)N(C)C1CCCCC1 ZINC000610447600 348383294 /nfs/dbraw/zinc/38/32/94/348383294.db2.gz RZBWAKQYFZLIMF-UHFFFAOYSA-N 0 3 293.455 3.039 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000609921032 348357773 /nfs/dbraw/zinc/35/77/73/348357773.db2.gz GAIFNAYZDVTXNS-CHWSQXEVSA-N 0 3 288.391 3.027 20 30 CGEDHN C[C@@]1(NCc2ccnc(C#N)c2)CCCc2ccccc21 ZINC000610993273 348415147 /nfs/dbraw/zinc/41/51/47/348415147.db2.gz JGOBBHZAEGIGNB-GOSISDBHSA-N 0 3 277.371 3.295 20 30 CGEDHN COC(=O)c1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611388784 348443670 /nfs/dbraw/zinc/44/36/70/348443670.db2.gz SPGOQBPURLSTHS-ZDUSSCGKSA-N 0 3 294.354 3.196 20 30 CGEDHN CC(C)(C#N)CCCN1CCC[C@@H](OC(F)F)C1 ZINC000611580438 348462537 /nfs/dbraw/zinc/46/25/37/348462537.db2.gz WHUBQBZYXUWGRR-LLVKDONJSA-N 0 3 260.328 3.020 20 30 CGEDHN N#CC1(CN[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000611938535 348481697 /nfs/dbraw/zinc/48/16/97/348481697.db2.gz NIKCQGYFNBXIKE-KRWDZBQOSA-N 0 3 283.419 3.107 20 30 CGEDHN CCCC[C@@H](CC)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000612823074 348548484 /nfs/dbraw/zinc/54/84/84/348548484.db2.gz JALMFJNMMUMNJG-IAGOWNOFSA-N 0 3 279.472 3.369 20 30 CGEDHN CSc1ccccc1C[C@H](C)NCC(C)(C)C#N ZINC000612584856 348530706 /nfs/dbraw/zinc/53/07/06/348530706.db2.gz DUUROZDIOMJUBB-LBPRGKRZSA-N 0 3 262.422 3.479 20 30 CGEDHN COc1ccc(C[C@@H](C)CNCC(C)(C)C#N)cc1F ZINC000612879943 348552947 /nfs/dbraw/zinc/55/29/47/348552947.db2.gz XHXVCGRQLMTPCT-GFCCVEGCSA-N 0 3 278.371 3.152 20 30 CGEDHN CCCN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159917 348653739 /nfs/dbraw/zinc/65/37/39/348653739.db2.gz VXRYWVREKJJVJK-UHFFFAOYSA-N 0 3 285.435 3.015 20 30 CGEDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC(C)(C)C#N ZINC000613540402 348616048 /nfs/dbraw/zinc/61/60/48/348616048.db2.gz VJTJRQJXRYNTHQ-LBPRGKRZSA-N 0 3 275.352 3.055 20 30 CGEDHN CCO[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000614461762 348678119 /nfs/dbraw/zinc/67/81/19/348678119.db2.gz VVPKOPLIVGACTK-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN CCN(Cc1ccnc(C#N)c1)[C@H](C)Cc1ccsc1 ZINC000614603452 348686028 /nfs/dbraw/zinc/68/60/28/348686028.db2.gz ZTLDOHGTTSFUEK-CYBMUJFWSA-N 0 3 285.416 3.468 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCOC(F)(F)F ZINC000616094718 348786321 /nfs/dbraw/zinc/78/63/21/348786321.db2.gz WECCSQPQFXZAHI-CYBMUJFWSA-N 0 3 284.281 3.062 20 30 CGEDHN C[C@H](NC[C@@H](O)CC1CCCC1)c1cccc(C#N)c1 ZINC000616113883 348786924 /nfs/dbraw/zinc/78/69/24/348786924.db2.gz IXDWQVYZXLTPAA-GUYCJALGSA-N 0 3 272.392 3.150 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000358448274 233135093 /nfs/dbraw/zinc/13/50/93/233135093.db2.gz QTAFRXWZWDGEIT-MQIPJXDCSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@@H](NCCc1cscn1)c1ccc(C#N)cc1F ZINC000358562180 233155328 /nfs/dbraw/zinc/15/53/28/233155328.db2.gz TZYJZAPUKODONR-SNVBAGLBSA-N 0 3 275.352 3.047 20 30 CGEDHN C[C@H](NCCc1cscn1)c1ccc(C#N)cc1F ZINC000358562177 233155918 /nfs/dbraw/zinc/15/59/18/233155918.db2.gz TZYJZAPUKODONR-JTQLQIEISA-N 0 3 275.352 3.047 20 30 CGEDHN C[C@@H](NCC(C)(C)CCCO)c1ccc(C#N)cc1F ZINC000358567115 233156459 /nfs/dbraw/zinc/15/64/59/233156459.db2.gz JIASNYPUXFHNCP-GFCCVEGCSA-N 0 3 278.371 3.147 20 30 CGEDHN CCC(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000618565215 349106679 /nfs/dbraw/zinc/10/66/79/349106679.db2.gz HPCMMLZAWMYFEO-DZGCQCFKSA-N 0 3 285.391 3.207 20 30 CGEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000618807005 349156762 /nfs/dbraw/zinc/15/67/62/349156762.db2.gz UNTLNPSCCYSRNY-SJKOYZFVSA-N 0 3 263.344 3.291 20 30 CGEDHN CC[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000619624038 349263588 /nfs/dbraw/zinc/26/35/88/349263588.db2.gz HFDPZDZDNRPFLP-KRWDZBQOSA-N 0 3 286.419 3.489 20 30 CGEDHN C=CCCC(C)(C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000620861191 349430979 /nfs/dbraw/zinc/43/09/79/349430979.db2.gz FZFNFKCDKAXZHU-UHFFFAOYSA-N 0 3 274.408 3.223 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000625705200 350200652 /nfs/dbraw/zinc/20/06/52/350200652.db2.gz YOPFKKPKMDMMFZ-MAUKXSAKSA-N 0 3 298.430 3.078 20 30 CGEDHN C=C(C)[C@H](CO)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007322 350245884 /nfs/dbraw/zinc/24/58/84/350245884.db2.gz BJUUHXKWPJMFKM-AWEZNQCLSA-N 0 3 285.309 3.001 20 30 CGEDHN N#CC(C(=O)c1cc(C2CC2)[nH]c1C1CC1)c1ccncn1 ZINC000626392783 350301941 /nfs/dbraw/zinc/30/19/41/350301941.db2.gz BVMBRIGQXJHZTM-ZDUSSCGKSA-N 0 3 292.342 3.050 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000628406495 350529477 /nfs/dbraw/zinc/52/94/77/350529477.db2.gz KVYNNOVRVORPRV-CQSZACIVSA-N 0 3 285.366 3.409 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc3ccc(C)cn23)C1 ZINC000628405548 350529634 /nfs/dbraw/zinc/52/96/34/350529634.db2.gz OEBPBZBFGKZLCN-AWEZNQCLSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CC(C)(C)CCN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000629250945 350672215 /nfs/dbraw/zinc/67/22/15/350672215.db2.gz SPMGDWZYECCHGW-HNNXBMFYSA-N 0 3 274.408 3.008 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2c(Br)cnn2C)C1 ZINC000631207893 350992313 /nfs/dbraw/zinc/99/23/13/350992313.db2.gz WKUJQPKBOAVNOX-WDEREUQCSA-N 0 3 298.228 3.017 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc(C)cc(C(C)C)n2)CC1 ZINC000631109005 350955927 /nfs/dbraw/zinc/95/59/27/350955927.db2.gz XBRHIMNVEGWDPD-UHFFFAOYSA-N 0 3 288.439 3.361 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000631313986 351023003 /nfs/dbraw/zinc/02/30/03/351023003.db2.gz UVCAHMDWDPTQIE-KRWDZBQOSA-N 0 3 298.430 3.124 20 30 CGEDHN CN(Cc1cnc2ccc(C#N)cn12)C1CCCCCC1 ZINC000122062231 187013207 /nfs/dbraw/zinc/01/32/07/187013207.db2.gz CCVYCPOHMFLUBG-UHFFFAOYSA-N 0 3 282.391 3.361 20 30 CGEDHN N#Cc1c(Cl)nsc1NC1CC(N2CCCCC2)C1 ZINC000366504536 234172661 /nfs/dbraw/zinc/17/26/61/234172661.db2.gz IDKHTESTWDGRDI-UHFFFAOYSA-N 0 3 296.827 3.097 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NC[C@@H](O)c2ccccc2)cc1 ZINC000153802311 188104505 /nfs/dbraw/zinc/10/45/05/188104505.db2.gz YBZPHHNXQQBWNZ-DNVCBOLYSA-N 0 3 295.382 3.083 20 30 CGEDHN Clc1cccc(C#CCN(C[C@@H]2CCOC2)C2CC2)c1 ZINC000156113443 188243324 /nfs/dbraw/zinc/24/33/24/188243324.db2.gz KGYNGCNXALKLGB-HNNXBMFYSA-N 0 3 289.806 3.192 20 30 CGEDHN C=C(C)CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000156229938 188250585 /nfs/dbraw/zinc/25/05/85/188250585.db2.gz JWGRVOATYRGBAI-AWEZNQCLSA-N 0 3 295.452 3.006 20 30 CGEDHN C#CCN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000157198354 188302824 /nfs/dbraw/zinc/30/28/24/188302824.db2.gz MGWFOCXOFHJMHT-NSHDSACASA-N 0 3 286.400 3.411 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000349311796 283058205 /nfs/dbraw/zinc/05/82/05/283058205.db2.gz KLDPIKVIYGJRTB-JTNHKYCSSA-N 0 3 276.767 3.445 20 30 CGEDHN N#Cc1cc(CN[C@H]2CCc3ccccc3OC2)ccc1F ZINC000374625531 283093320 /nfs/dbraw/zinc/09/33/20/283093320.db2.gz KJPMTPVTEXRLQB-INIZCTEOSA-N 0 3 296.345 3.181 20 30 CGEDHN Cc1ccc(N2CCC[C@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000174589169 188907986 /nfs/dbraw/zinc/90/79/86/188907986.db2.gz FIJVUJKLNSIMRZ-HNNXBMFYSA-N 0 3 295.386 3.218 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3ccccc3OC2)s1 ZINC000374543716 283147438 /nfs/dbraw/zinc/14/74/38/283147438.db2.gz NOUBIVOUJKTRSW-CYBMUJFWSA-N 0 3 284.384 3.103 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCSC2)c(C(F)(F)F)c1 ZINC000352808185 283147635 /nfs/dbraw/zinc/14/76/35/283147635.db2.gz BOPCENHPIYCCAI-LLVKDONJSA-N 0 3 286.322 3.172 20 30 CGEDHN CN1CC=C(CNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000273570895 192209430 /nfs/dbraw/zinc/20/94/30/192209430.db2.gz AFOZYIMQHNDWMT-UHFFFAOYSA-N 0 3 295.308 3.251 20 30 CGEDHN CCCN(CC(C)C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000297749447 200275086 /nfs/dbraw/zinc/27/50/86/200275086.db2.gz CYJJRXTYHHRMBH-CQSZACIVSA-N 0 3 287.407 3.253 20 30 CGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000298074738 200327689 /nfs/dbraw/zinc/32/76/89/200327689.db2.gz GZBUDSXVXKYGFJ-GOSISDBHSA-N 0 3 297.377 3.090 20 30 CGEDHN Cc1cccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000298258901 200374337 /nfs/dbraw/zinc/37/43/37/200374337.db2.gz MAVDBTOVRCXQGE-LJQANCHMSA-N 0 3 294.398 3.341 20 30 CGEDHN Cc1cccc(OC[C@H](C)NCc2ccc(C#N)s2)c1 ZINC000176953756 189016815 /nfs/dbraw/zinc/01/68/15/189016815.db2.gz ODESBOAXKXIXCC-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN N#Cc1ccc(CNCCCNc2ccccc2)s1 ZINC000177583557 189058723 /nfs/dbraw/zinc/05/87/23/189058723.db2.gz JGLIQRBKMLGAFW-UHFFFAOYSA-N 0 3 271.389 3.212 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@H](C=C)c2ccccc2)CC1 ZINC000179344272 189187557 /nfs/dbraw/zinc/18/75/57/189187557.db2.gz JHJMBSQPKJWQMQ-INIZCTEOSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccc(F)cc2C)o1 ZINC000184267346 189381310 /nfs/dbraw/zinc/38/13/10/189381310.db2.gz RGJYALWVKUVOIC-AWEZNQCLSA-N 0 3 289.350 3.421 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000184281919 189381780 /nfs/dbraw/zinc/38/17/80/189381780.db2.gz FKCOMFFITNEINQ-ZDUSSCGKSA-N 0 3 273.332 3.099 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(Cl)c(Cl)c1 ZINC000184283612 189382004 /nfs/dbraw/zinc/38/20/04/189382004.db2.gz JCBJORYZNPPAPG-JTQLQIEISA-N 0 3 260.164 3.020 20 30 CGEDHN C=C(C)[C@@H](NC(=O)CN(C)C(C)C)c1ccc(F)c(F)c1 ZINC000184859062 189397810 /nfs/dbraw/zinc/39/78/10/189397810.db2.gz KBELOECNMWRZHX-MRXNPFEDSA-N 0 3 296.361 3.038 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@H](C)N1CCC[C@H](C)C1 ZINC000302117655 201347453 /nfs/dbraw/zinc/34/74/53/201347453.db2.gz SESLCQDVDIMSKP-KBPBESRZSA-N 0 3 299.418 3.293 20 30 CGEDHN CC(C)(C)OC1CCN(CCC(C)(C)C#N)CC1 ZINC000119737362 370704029 /nfs/dbraw/zinc/70/40/29/370704029.db2.gz SMNRUYUPQRSRSG-UHFFFAOYSA-N 0 3 252.402 3.206 20 30 CGEDHN CC(C)CSCCCNCc1ccc(C#N)o1 ZINC000120653680 370788203 /nfs/dbraw/zinc/78/82/03/370788203.db2.gz QWJYLHHBGYXXOA-UHFFFAOYSA-N 0 3 252.383 3.020 20 30 CGEDHN N#Cc1ccc(N2CCN(CCC3CCCCC3)CC2)nc1 ZINC000483145611 243263196 /nfs/dbraw/zinc/26/31/96/243263196.db2.gz QFNCDQUNWBNZAF-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN Cc1nccn1CCCCN(CCC#N)CCC(C)C ZINC000125541431 370937770 /nfs/dbraw/zinc/93/77/70/370937770.db2.gz AIDCCFFZNRPOBZ-UHFFFAOYSA-N 0 3 276.428 3.234 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(C2CCCCC2)CC1 ZINC000126506998 370945966 /nfs/dbraw/zinc/94/59/66/370945966.db2.gz BYDVPBZBQQWOHR-UHFFFAOYSA-N 0 3 277.456 3.267 20 30 CGEDHN CCCCN(CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000019846842 368773354 /nfs/dbraw/zinc/77/33/54/368773354.db2.gz FFOMXGPQUTXASR-ZDUSSCGKSA-N 0 3 273.380 3.007 20 30 CGEDHN CCC(CC)N(CCOC)Cc1cc(C#N)ccc1F ZINC000042616410 369226510 /nfs/dbraw/zinc/22/65/10/369226510.db2.gz ONJVTPFHWKYZTM-UHFFFAOYSA-N 0 3 278.371 3.334 20 30 CGEDHN CN(CCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000042976287 369239516 /nfs/dbraw/zinc/23/95/16/369239516.db2.gz HFGSIXZWYBTJGA-UHFFFAOYSA-N 0 3 266.344 3.069 20 30 CGEDHN C=CCCN(C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000276079181 193207590 /nfs/dbraw/zinc/20/75/90/193207590.db2.gz ASUXBGWPWGNSQG-UHFFFAOYSA-N 0 3 271.360 3.418 20 30 CGEDHN C[C@H](CCc1ccco1)NCc1ccc(C#N)cc1F ZINC000049566489 369411304 /nfs/dbraw/zinc/41/13/04/369411304.db2.gz QWFZZIGGKMRTGA-GFCCVEGCSA-N 0 3 272.323 3.401 20 30 CGEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000051766978 369454574 /nfs/dbraw/zinc/45/45/74/369454574.db2.gz XCVYHALEYVHORZ-UHFFFAOYSA-N 0 3 296.773 3.482 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128661978 370966042 /nfs/dbraw/zinc/96/60/42/370966042.db2.gz WLTOZHHFUQSYJY-KGLIPLIRSA-N 0 3 295.810 3.120 20 30 CGEDHN N#Cc1cc(C(F)(F)F)ccc1NCCN1CCCC1 ZINC000054134229 369496307 /nfs/dbraw/zinc/49/63/07/369496307.db2.gz RGGOUIZDTIUQCP-UHFFFAOYSA-N 0 3 283.297 3.085 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1ccc(C#N)cn1)C(C)C ZINC000058648583 369572805 /nfs/dbraw/zinc/57/28/05/369572805.db2.gz NKGKHNVXROZOAD-MRXNPFEDSA-N 0 3 284.407 3.064 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](OCC(C)C)C1 ZINC000537724487 376197594 /nfs/dbraw/zinc/19/75/94/376197594.db2.gz CXPHJJWHWBLBAT-KRWDZBQOSA-N 0 3 289.419 3.498 20 30 CGEDHN N#Cc1ccc(CNCc2ccccc2-n2ccnc2)cc1 ZINC000067250171 369714690 /nfs/dbraw/zinc/71/46/90/369714690.db2.gz IBUBHWOLBVQRKP-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN CC1(C)CCCN(CCOc2ccccc2C#N)C1 ZINC000070259015 369793109 /nfs/dbraw/zinc/79/31/09/369793109.db2.gz ITLXPIRNZUCCOG-UHFFFAOYSA-N 0 3 258.365 3.059 20 30 CGEDHN C=CCCCN(C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000076736705 369941614 /nfs/dbraw/zinc/94/16/14/369941614.db2.gz OIIWQCVXVOQIJR-HOTGVXAUSA-N 0 3 278.440 3.066 20 30 CGEDHN N#CCCCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000079962458 369981209 /nfs/dbraw/zinc/98/12/09/369981209.db2.gz AETUKBMMGZQKBG-CYBMUJFWSA-N 0 3 269.348 3.311 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)cs2)C12CCC2 ZINC000092041114 370089862 /nfs/dbraw/zinc/08/98/62/370089862.db2.gz QZIXQRMOUJSHPW-CABCVRRESA-N 0 3 290.432 3.399 20 30 CGEDHN C=CCN(Cc1cn(C)nc1C)CC1CCCCC1 ZINC000093382936 370120555 /nfs/dbraw/zinc/12/05/55/370120555.db2.gz OBSOLGHDSWIRDD-UHFFFAOYSA-N 0 3 261.413 3.297 20 30 CGEDHN C=CCN(CC(=O)N1CCCC[C@H]1C)CC1CCCCC1 ZINC000112607376 370437419 /nfs/dbraw/zinc/43/74/19/370437419.db2.gz PUJPQYZVJLNQJA-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NC2(C)CCCCC2)CC1 ZINC000116547364 370563934 /nfs/dbraw/zinc/56/39/34/370563934.db2.gz MAKKUQDANVTMJN-UHFFFAOYSA-N 0 3 293.455 3.049 20 30 CGEDHN CC[C@H](c1ccncc1)N(C)CCOc1ccc(C#N)cc1 ZINC000130265487 371021934 /nfs/dbraw/zinc/02/19/34/371021934.db2.gz BVNAOIDHCYXBES-GOSISDBHSA-N 0 3 295.386 3.415 20 30 CGEDHN C[C@@H](C[C@H](O)c1cccs1)NCc1ccc(C#N)s1 ZINC000131134200 371085796 /nfs/dbraw/zinc/08/57/96/371085796.db2.gz JREMSVPVMTVZAL-GWCFXTLKSA-N 0 3 292.429 3.283 20 30 CGEDHN CS[C@@H]1CCCCN(CCOc2ccccc2C#N)C1 ZINC000134559310 371350411 /nfs/dbraw/zinc/35/04/11/371350411.db2.gz HMQUANUFIXVRLQ-OAHLLOKOSA-N 0 3 290.432 3.155 20 30 CGEDHN CS[C@@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000134600886 371353350 /nfs/dbraw/zinc/35/33/50/371353350.db2.gz HRISGKGNPKOBMI-CQSZACIVSA-N 0 3 278.396 3.415 20 30 CGEDHN CC[C@@H]1CCCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000134726458 371361027 /nfs/dbraw/zinc/36/10/27/371361027.db2.gz BHEYZHJAUPTBQX-MRXNPFEDSA-N 0 3 285.391 3.151 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000135143221 371394621 /nfs/dbraw/zinc/39/46/21/371394621.db2.gz GVPYVIDFZYHASQ-VHSXEESVSA-N 0 3 272.270 3.362 20 30 CGEDHN C#CCOc1ccccc1CN1CCC2(CC(OCC)C2)C1 ZINC000289524116 371756585 /nfs/dbraw/zinc/75/65/85/371756585.db2.gz HGYVTQUBXRIZCW-UHFFFAOYSA-N 0 3 299.414 3.090 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1F)[C@@H]1CCOC(C)(C)C1 ZINC000289829883 371835021 /nfs/dbraw/zinc/83/50/21/371835021.db2.gz OOGANOXNTKRATP-OAHLLOKOSA-N 0 3 290.382 3.477 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H](C3CC3)C2)ccc1F ZINC000344084694 217043085 /nfs/dbraw/zinc/04/30/85/217043085.db2.gz GPPUJTGDJRGRFY-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN CC#CCCN(C)Cc1ccc(Br)cc1 ZINC000155068044 371903000 /nfs/dbraw/zinc/90/30/00/371903000.db2.gz JZYCGOTYLLYOEO-UHFFFAOYSA-N 0 3 266.182 3.294 20 30 CGEDHN C=C(C)CN1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155101680 371906171 /nfs/dbraw/zinc/90/61/71/371906171.db2.gz HLFQOCZWUORZIK-AWEZNQCLSA-N 0 3 290.407 3.156 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000156146842 371964192 /nfs/dbraw/zinc/96/41/92/371964192.db2.gz VRYNTIMWGKKBPU-RBSFLKMASA-N 0 3 266.429 3.062 20 30 CGEDHN C=C(C)CN(CC)Cc1cnc2c(cnn2C(C)C)c1 ZINC000157573367 372027563 /nfs/dbraw/zinc/02/75/63/372027563.db2.gz XKEDKHLJHXZIAS-UHFFFAOYSA-N 0 3 272.396 3.410 20 30 CGEDHN CC1CCC(O)(CN(CCC#N)CC(C)(C)C)CC1 ZINC000157978396 372045858 /nfs/dbraw/zinc/04/58/58/372045858.db2.gz ARJWMYZACSCWCT-UHFFFAOYSA-N 0 3 266.429 3.189 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)s1 ZINC000290522048 372009204 /nfs/dbraw/zinc/00/92/04/372009204.db2.gz QCSFCEPXLZFPMW-ARFHVFGLSA-N 0 3 266.369 3.048 20 30 CGEDHN O[C@@H]1CCCC[C@H]1[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000291080068 372112886 /nfs/dbraw/zinc/11/28/86/372112886.db2.gz GLYNGVYMVNQCMD-XUVXKRRUSA-N 0 3 297.442 3.444 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc2c(c1)ncn2C ZINC000426570671 372165358 /nfs/dbraw/zinc/16/53/58/372165358.db2.gz NTVATCZJHYVOJX-AWEZNQCLSA-N 0 3 255.365 3.114 20 30 CGEDHN CC(C)N(CC#Cc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000291602241 372171209 /nfs/dbraw/zinc/17/12/09/372171209.db2.gz BXTDCYYJAVOOJC-MRXNPFEDSA-N 0 3 277.795 3.191 20 30 CGEDHN C=CCN(C)Cc1cn(C)nc1-c1ccccc1Cl ZINC000428377707 372187543 /nfs/dbraw/zinc/18/75/43/372187543.db2.gz SQCQGEMLMMMCAQ-UHFFFAOYSA-N 0 3 275.783 3.358 20 30 CGEDHN C=CCC[C@@H](NC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000159928451 372194859 /nfs/dbraw/zinc/19/48/59/372194859.db2.gz BYEHYSORLVGUGF-OLZOCXBDSA-N 0 3 273.298 3.207 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1nc2ccccc2o1 ZINC000429727557 372376853 /nfs/dbraw/zinc/37/68/53/372376853.db2.gz VIBWNHFHXKBBBA-CQSZACIVSA-N 0 3 287.407 3.329 20 30 CGEDHN C[C@H](CCC#N)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000429701240 372377825 /nfs/dbraw/zinc/37/78/25/372377825.db2.gz TYCMSWAWMQDVHL-PXAZEXFGSA-N 0 3 286.375 3.191 20 30 CGEDHN COc1cc(CNCC2(CC#N)CC2)ccc1OC(C)C ZINC000430040179 372381038 /nfs/dbraw/zinc/38/10/38/372381038.db2.gz HJXRKTUDCFQMBA-UHFFFAOYSA-N 0 3 288.391 3.266 20 30 CGEDHN Cn1cc(CNCC2(CC#N)CC2)c(C2CCCCC2)n1 ZINC000430069723 372383002 /nfs/dbraw/zinc/38/30/02/372383002.db2.gz VTSKDHFOJSMRSK-UHFFFAOYSA-N 0 3 286.423 3.251 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccccc1N(C)C ZINC000430726576 372394811 /nfs/dbraw/zinc/39/48/11/372394811.db2.gz VMOYKWKDQHJBIN-CYBMUJFWSA-N 0 3 257.381 3.097 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1 ZINC000344481800 217206786 /nfs/dbraw/zinc/20/67/86/217206786.db2.gz IFKOANCWWKKXAK-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000433361332 372598540 /nfs/dbraw/zinc/59/85/40/372598540.db2.gz HENWRVMPCMRWKH-OKZBNKHCSA-N 0 3 296.414 3.408 20 30 CGEDHN C=C(C)CN(CC)CCOc1ccccc1C(C)=O ZINC000170695142 372650147 /nfs/dbraw/zinc/65/01/47/372650147.db2.gz QCRDNHPFCDZQMV-UHFFFAOYSA-N 0 3 261.365 3.166 20 30 CGEDHN CO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000295150972 372695576 /nfs/dbraw/zinc/69/55/76/372695576.db2.gz AGKOVWLMWGCGKI-XJKSGUPXSA-N 0 3 272.392 3.366 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000436295785 372832076 /nfs/dbraw/zinc/83/20/76/372832076.db2.gz HPJINXLPFMIREE-JDFRZJQESA-N 0 3 288.366 3.329 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccc(OC)nc1 ZINC000437686474 372855469 /nfs/dbraw/zinc/85/54/69/372855469.db2.gz HQWORUQYOHRPMP-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437398577 372846853 /nfs/dbraw/zinc/84/68/53/372846853.db2.gz YCKMOSOEILIHBO-IRUJWGPZSA-N 0 3 296.292 3.227 20 30 CGEDHN C=CCN1CCC(NC(=O)CC/C=C/c2ccccc2)CC1 ZINC000172349776 372946038 /nfs/dbraw/zinc/94/60/38/372946038.db2.gz PELBDRKEFUZSRU-UXBLZVDNSA-N 0 3 298.430 3.247 20 30 CGEDHN Cc1ccc(C#N)cc1NC(=O)c1cccc(CN(C)C)c1 ZINC000172618799 372994412 /nfs/dbraw/zinc/99/44/12/372994412.db2.gz BLXCDTRCNHANHO-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN CSc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442781335 373080053 /nfs/dbraw/zinc/08/00/53/373080053.db2.gz ILQOPUGRRZOMNI-TZMCWYRMSA-N 0 3 260.406 3.499 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)C1 ZINC000442793396 373085187 /nfs/dbraw/zinc/08/51/87/373085187.db2.gz RRZCYLDYMWAZNA-VJUNAUMWSA-N 0 3 288.366 3.328 20 30 CGEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000442832241 373099713 /nfs/dbraw/zinc/09/97/13/373099713.db2.gz YEWCRTFXTCRUGC-ZWUHOBOKSA-N 0 3 276.355 3.184 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cccc(OCC(F)F)c2)C1 ZINC000442863580 373109727 /nfs/dbraw/zinc/10/97/27/373109727.db2.gz CYUSXDFSAZABRH-AAEUAGOBSA-N 0 3 280.318 3.112 20 30 CGEDHN C#CCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296598020 373189617 /nfs/dbraw/zinc/18/96/17/373189617.db2.gz VKCRLCOWOPUKBT-QGZVFWFLSA-N 0 3 293.366 3.181 20 30 CGEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccncc1 ZINC000174435998 373317554 /nfs/dbraw/zinc/31/75/54/373317554.db2.gz CZYNPROOJWCCDW-MRXNPFEDSA-N 0 3 281.359 3.203 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)o1)Oc1ccccc1Cl ZINC000174589648 373341292 /nfs/dbraw/zinc/34/12/92/373341292.db2.gz MCCWOPBTCFULHD-LLVKDONJSA-N 0 3 290.750 3.362 20 30 CGEDHN COc1ccc(O[C@H](C)CNCc2cccc(C#N)c2)cc1 ZINC000174604957 373342516 /nfs/dbraw/zinc/34/25/16/373342516.db2.gz LTFKLGWUSQYBOO-CQSZACIVSA-N 0 3 296.370 3.124 20 30 CGEDHN COc1ccc(O[C@@H](C)CNCc2cccc(C#N)c2)cc1 ZINC000174604943 373342614 /nfs/dbraw/zinc/34/26/14/373342614.db2.gz LTFKLGWUSQYBOO-AWEZNQCLSA-N 0 3 296.370 3.124 20 30 CGEDHN CN(C)CCOc1ccccc1CNc1ccc(C#N)cc1 ZINC000299303085 373502942 /nfs/dbraw/zinc/50/29/42/373502942.db2.gz CJDBZNGUNVQJPQ-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN N#CCCCNCc1cnc(-c2ccccc2F)s1 ZINC000449232312 373671991 /nfs/dbraw/zinc/67/19/91/373671991.db2.gz HRNVTXKKULBTOS-UHFFFAOYSA-N 0 3 275.352 3.343 20 30 CGEDHN C[C@@H](NC[C@H](C#N)CCC#N)[C@@H](C)c1ccccc1 ZINC000177476808 373686491 /nfs/dbraw/zinc/68/64/91/373686491.db2.gz PFJBVDZOJGCAPI-KFWWJZLASA-N 0 3 255.365 3.212 20 30 CGEDHN C[C@@]12CN(Cc3cc(C#N)cs3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448265 373728976 /nfs/dbraw/zinc/72/89/76/373728976.db2.gz GMYLFHPWHYBJNM-VRKREXBASA-N 0 3 270.401 3.264 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC(C)C)cc1 ZINC000449518235 373817534 /nfs/dbraw/zinc/81/75/34/373817534.db2.gz ITBZCDXHPJKJBT-SJORKVTESA-N 0 3 275.392 3.155 20 30 CGEDHN C=CCC1(NCc2cc(C(=O)OC)co2)CCCCC1 ZINC000449572142 373834903 /nfs/dbraw/zinc/83/49/03/373834903.db2.gz IJKBXVGTWLKZSP-UHFFFAOYSA-N 0 3 277.364 3.435 20 30 CGEDHN C=CCOc1ccc(CN2CCCC[C@H]2COC)cc1 ZINC000449761533 373890078 /nfs/dbraw/zinc/89/00/78/373890078.db2.gz YLNBVHQBMNEQND-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000179457440 373877186 /nfs/dbraw/zinc/87/71/86/373877186.db2.gz RIZPWXJJTAMABJ-NSHDSACASA-N 0 3 291.763 3.351 20 30 CGEDHN Cc1ccc(NC[C@@H](c2cccs2)N(C)C)nc1C#N ZINC000302731217 373943764 /nfs/dbraw/zinc/94/37/64/373943764.db2.gz WGWUPLVYFZRHRE-ZDUSSCGKSA-N 0 3 286.404 3.038 20 30 CGEDHN CC[C@H](C)[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305828210 374116921 /nfs/dbraw/zinc/11/69/21/374116921.db2.gz RYLPYQCMMHTTQM-MKBNYLNASA-N 0 3 278.371 3.145 20 30 CGEDHN CC(C)C[C@@H](CCO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305838378 374119518 /nfs/dbraw/zinc/11/95/18/374119518.db2.gz XWKRTVMTACQWSP-UKRRQHHQSA-N 0 3 292.398 3.393 20 30 CGEDHN CN(CC1(C#N)CCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000450450924 374137091 /nfs/dbraw/zinc/13/70/91/374137091.db2.gz GGZOEDGGRWKOEC-SFHVURJKSA-N 0 3 297.446 3.277 20 30 CGEDHN COc1ccc([C@H](C)[C@H](C)NCC2(C#N)CCC2)cc1 ZINC000450723841 374174952 /nfs/dbraw/zinc/17/49/52/374174952.db2.gz DTUMYELPMMPEPU-KGLIPLIRSA-N 0 3 272.392 3.471 20 30 CGEDHN CCN(CCCCC1CCOCC1)C[C@H](C)C#N ZINC000310664484 374219658 /nfs/dbraw/zinc/21/96/58/374219658.db2.gz YOVSOWKHGDCUGQ-CQSZACIVSA-N 0 3 252.402 3.065 20 30 CGEDHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000315588185 374329770 /nfs/dbraw/zinc/32/97/70/374329770.db2.gz ROQMMJAWFBCTSL-ZDUSSCGKSA-N 0 3 294.354 3.196 20 30 CGEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000182697855 374313630 /nfs/dbraw/zinc/31/36/30/374313630.db2.gz RURLXXLATCDNKK-CYBMUJFWSA-N 0 3 285.391 3.055 20 30 CGEDHN CC(C)c1ncc(NC(=O)C2CCN(C3CC3)CC2)cn1 ZINC000328790756 374384436 /nfs/dbraw/zinc/38/44/36/374384436.db2.gz YXEFBMJKWLCFMN-UHFFFAOYSA-N 0 3 288.395 3.062 20 30 CGEDHN Cc1scc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000330644957 374486187 /nfs/dbraw/zinc/48/61/87/374486187.db2.gz IERPWZQJDHEZCX-GFCCVEGCSA-N 0 3 285.372 3.262 20 30 CGEDHN C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(C)(C)C[NH+](C)C ZINC000330501919 374473749 /nfs/dbraw/zinc/47/37/49/374473749.db2.gz VVYVTXPWXXTBFW-JTQLQIEISA-N 0 3 298.814 3.327 20 30 CGEDHN C=CCN1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185383614 374652680 /nfs/dbraw/zinc/65/26/80/374652680.db2.gz NVYHDERLBXFMDB-CQSZACIVSA-N 0 3 274.408 3.002 20 30 CGEDHN COc1cc(CN[C@H]2CCC[C@@H](C#N)C2)c2ccccc2n1 ZINC000185845835 374750558 /nfs/dbraw/zinc/75/05/58/374750558.db2.gz ZJLMQPZSVUFITA-HIFRSBDPSA-N 0 3 295.386 3.415 20 30 CGEDHN COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185871664 374758208 /nfs/dbraw/zinc/75/82/08/374758208.db2.gz WGAIJHXQLRLYND-IMJJTQAJSA-N 0 3 258.365 3.046 20 30 CGEDHN CCN(CC)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185803385 374741121 /nfs/dbraw/zinc/74/11/21/374741121.db2.gz AAIHZLMERPEQCC-ARFHVFGLSA-N 0 3 289.423 3.334 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000186695198 374900685 /nfs/dbraw/zinc/90/06/85/374900685.db2.gz WHWGQEOVYJNNGP-WDEREUQCSA-N 0 3 273.298 3.293 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1oc2ccccc2c1C ZINC000186695833 374900128 /nfs/dbraw/zinc/90/01/28/374900128.db2.gz QNUJMLDFMKJINK-STQMWFEESA-N 0 3 259.349 3.329 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000186699496 374900338 /nfs/dbraw/zinc/90/03/38/374900338.db2.gz JLWXBBVKXIDAPU-GWCFXTLKSA-N 0 3 273.298 3.293 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000470312650 374996198 /nfs/dbraw/zinc/99/61/98/374996198.db2.gz GOZOBKXXKFMGFV-JTQLQIEISA-N 0 3 298.308 3.259 20 30 CGEDHN C=CCOCCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000470763574 374998767 /nfs/dbraw/zinc/99/87/67/374998767.db2.gz FDBUMCMSTLZBJF-AWEZNQCLSA-N 0 3 295.810 3.386 20 30 CGEDHN C=CCOCCCN(C)CCOc1ccc(Cl)cc1 ZINC000470725564 374999458 /nfs/dbraw/zinc/99/94/58/374999458.db2.gz ZRCIVMJTSSOCBP-UHFFFAOYSA-N 0 3 283.799 3.243 20 30 CGEDHN CC#CCCN1CCC[C@H](OCc2ccccc2F)C1 ZINC000470909729 375000807 /nfs/dbraw/zinc/00/08/07/375000807.db2.gz BILPPZIMCOHXFY-INIZCTEOSA-N 0 3 275.367 3.220 20 30 CGEDHN C#CCCCCN[C@H](C)c1ncc(Br)cc1F ZINC000187367799 375010223 /nfs/dbraw/zinc/01/02/23/375010223.db2.gz ICSABGXKWISZJU-SNVBAGLBSA-N 0 3 299.187 3.437 20 30 CGEDHN CCCCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000472591050 375027005 /nfs/dbraw/zinc/02/70/05/375027005.db2.gz VUMSVRBRRDOLQB-KRWDZBQOSA-N 0 3 271.408 3.059 20 30 CGEDHN C=C(C)[C@@H](NCCCn1ccnc1)c1ccc(F)c(F)c1 ZINC000187779336 375093193 /nfs/dbraw/zinc/09/31/93/375093193.db2.gz HTGRPHDVXVQKCW-MRXNPFEDSA-N 0 3 291.345 3.458 20 30 CGEDHN CC(C#N)C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000335143073 375169124 /nfs/dbraw/zinc/16/91/24/375169124.db2.gz HLZPDAKLAGDGSO-MRVPVSSYSA-N 0 3 283.158 3.038 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(O)c1 ZINC000487431150 375241216 /nfs/dbraw/zinc/24/12/16/375241216.db2.gz MQBYRVWVSUBJDC-ZDUSSCGKSA-N 0 3 266.344 3.457 20 30 CGEDHN C[C@H](NC[C@@H]1CCSC1)c1ccc(C#N)cc1F ZINC000487548506 375251456 /nfs/dbraw/zinc/25/14/56/375251456.db2.gz CNZDDJJGUURFDU-JQWIXIFHSA-N 0 3 264.369 3.101 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000487562561 375254939 /nfs/dbraw/zinc/25/49/39/375254939.db2.gz SPKDQKNBXYEPGJ-DGCLKSJQSA-N 0 3 262.328 3.006 20 30 CGEDHN CCC1CCC(N(CC#Cc2ccccc2)CCO)CC1 ZINC000488192367 375304847 /nfs/dbraw/zinc/30/48/47/375304847.db2.gz KKXPXCXRLYDGRB-UHFFFAOYSA-N 0 3 285.431 3.301 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cccc(F)c1 ZINC000489432635 375317668 /nfs/dbraw/zinc/31/76/68/375317668.db2.gz QVYUTNBUEGPPKE-OAHLLOKOSA-N 0 3 276.355 3.195 20 30 CGEDHN CC(C#N)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000335369129 375267981 /nfs/dbraw/zinc/26/79/81/375267981.db2.gz SMOGPCMYIFJCSH-BLLLJJGKSA-N 0 3 268.360 3.215 20 30 CGEDHN Cc1ccc([C@@H]2CCCCCN2C(=O)C(C)C#N)o1 ZINC000335680350 375341897 /nfs/dbraw/zinc/34/18/97/375341897.db2.gz UOKKIKMLPREFEG-AAEUAGOBSA-N 0 3 260.337 3.191 20 30 CGEDHN Cn1cc(CN[C@@H]2CCCc3ccccc32)cc1C#N ZINC000189578638 375416528 /nfs/dbraw/zinc/41/65/28/375416528.db2.gz IKFVDJPNKJLHLL-QGZVFWFLSA-N 0 3 265.360 3.064 20 30 CGEDHN N#CC(C(=O)c1ccc(F)cc1)c1cnc2ccccc2n1 ZINC000190895486 375547638 /nfs/dbraw/zinc/54/76/38/375547638.db2.gz XBYCXSRCOQVCOR-ZDUSSCGKSA-N 0 3 291.285 3.259 20 30 CGEDHN Cc1cccc([C@@H](C)NCc2cc(C#N)n(C)c2)c1C ZINC000191080584 375573310 /nfs/dbraw/zinc/57/33/10/375573310.db2.gz PDLDXOBRTBACFU-CQSZACIVSA-N 0 3 267.376 3.364 20 30 CGEDHN CC(C)C[C@@]1(CO)CCCN1Cc1cc(C#N)ccc1F ZINC000191660546 375650084 /nfs/dbraw/zinc/65/00/84/375650084.db2.gz QXRINQZXWSOQBZ-QGZVFWFLSA-N 0 3 290.382 3.070 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(-n2ccnc2)cc1C ZINC000192167491 375705991 /nfs/dbraw/zinc/70/59/91/375705991.db2.gz FLFLOZIPEKPRFL-UHFFFAOYSA-N 0 3 255.365 3.189 20 30 CGEDHN C[C@@H]1N(Cc2ccc(C#N)cc2F)CCC12CCOCC2 ZINC000336532623 375812287 /nfs/dbraw/zinc/81/22/87/375812287.db2.gz YXOFKGVPIXUPOG-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1ccc(OCCN[C@@H]2CCCc3occc32)cc1 ZINC000193008596 375813543 /nfs/dbraw/zinc/81/35/43/375813543.db2.gz IPQAAPXXYSLFAE-MRXNPFEDSA-N 0 3 282.343 3.197 20 30 CGEDHN N#Cc1ccc(CN2CCC=C(c3cccnc3)C2)cc1 ZINC000336397688 375789520 /nfs/dbraw/zinc/78/95/20/375789520.db2.gz IMSOCVIKQKBHNP-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN C[C@H]1N(Cc2ccc(C#N)c(F)c2)CCC12CCOCC2 ZINC000336620822 375882252 /nfs/dbraw/zinc/88/22/52/375882252.db2.gz TVWSAUHSDWIQMT-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN C=CCNC(=O)CN(CC(C)C)[C@H](CC)c1ccccc1 ZINC000533522654 375955761 /nfs/dbraw/zinc/95/57/61/375955761.db2.gz GRPOJSUJLUYFCU-QGZVFWFLSA-N 0 3 288.435 3.398 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3[C@H](C)[C@H]3C3CC3)nc21 ZINC000528954424 375915674 /nfs/dbraw/zinc/91/56/74/375915674.db2.gz RYLQNEMDWOYOJZ-WAZAZEMKSA-N 0 3 293.370 3.340 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3[C@H](C)[C@H]3C3CC3)[nH]c21 ZINC000528954424 375915681 /nfs/dbraw/zinc/91/56/81/375915681.db2.gz RYLQNEMDWOYOJZ-WAZAZEMKSA-N 0 3 293.370 3.340 20 30 CGEDHN CCC(C#N)(CC)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000529480886 375925946 /nfs/dbraw/zinc/92/59/46/375925946.db2.gz FJXVPMUBUPEQJJ-UHFFFAOYSA-N 0 3 287.407 3.325 20 30 CGEDHN N#Cc1cc(Cl)cc(OCCN2CCCCC2)c1 ZINC000336791732 375940962 /nfs/dbraw/zinc/94/09/62/375940962.db2.gz OSTWOOSOEDNWOJ-UHFFFAOYSA-N 0 3 264.756 3.076 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)C(CC)CC)CC1 ZINC000535654711 376045935 /nfs/dbraw/zinc/04/59/35/376045935.db2.gz IJYANYJKOVLHOE-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccc(C)c(C)c2)C1=O ZINC000337145226 376100632 /nfs/dbraw/zinc/10/06/32/376100632.db2.gz XGSFCUQWOCXQSO-MSOLQXFVSA-N 0 3 298.430 3.227 20 30 CGEDHN CC[C@@H](C)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000337447896 376222190 /nfs/dbraw/zinc/22/21/90/376222190.db2.gz DAJULFWYWLIUKC-CZUORRHYSA-N 0 3 291.826 3.321 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000539388889 376306480 /nfs/dbraw/zinc/30/64/80/376306480.db2.gz YSTHSSNXEWDJMB-OWCLPIDISA-N 0 3 295.471 3.151 20 30 CGEDHN COc1cccc(CCNCc2ccc(C#N)cc2F)c1 ZINC000227596141 376400781 /nfs/dbraw/zinc/40/07/81/376400781.db2.gz WEIKINAIBIKOBU-UHFFFAOYSA-N 0 3 284.334 3.038 20 30 CGEDHN C=CCCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000338546105 376419341 /nfs/dbraw/zinc/41/93/41/376419341.db2.gz KTESQAKOFHEQPV-ZIAGYGMSSA-N 0 3 286.202 3.459 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000542760462 376575248 /nfs/dbraw/zinc/57/52/48/376575248.db2.gz FDCPRDYHWFYUTN-LSDHHAIUSA-N 0 3 295.471 3.103 20 30 CGEDHN CC(C)c1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000232315051 376579476 /nfs/dbraw/zinc/57/94/76/376579476.db2.gz YUCMZDZEISSZIT-UHFFFAOYSA-N 0 3 267.376 3.310 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000237845699 376763395 /nfs/dbraw/zinc/76/33/95/376763395.db2.gz UICZRJIJIVNDMX-GOSISDBHSA-N 0 3 277.371 3.245 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000339429514 376756667 /nfs/dbraw/zinc/75/66/67/376756667.db2.gz YKOLWSXQMFRFPU-GUTXKFCHSA-N 0 3 298.365 3.354 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1Cl ZINC000152773105 542108731 /nfs/dbraw/zinc/10/87/31/542108731.db2.gz GBJDCMWUHGMLLL-XPKDYRNWSA-N 0 3 293.794 3.314 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000246414244 377025786 /nfs/dbraw/zinc/02/57/86/377025786.db2.gz RPIUBRGOYYBUSF-KBMXLJTQSA-N 0 3 297.402 3.007 20 30 CGEDHN COC(=O)c1cccc(CN(CC2CC2)C2CCC2)c1C#N ZINC000558828924 377047740 /nfs/dbraw/zinc/04/77/40/377047740.db2.gz CPMMQRNIIZGZIG-UHFFFAOYSA-N 0 3 298.386 3.109 20 30 CGEDHN N#Cc1cccc(C2(NCCOc3cccc(F)c3)CC2)c1 ZINC000560172670 377127708 /nfs/dbraw/zinc/12/77/08/377127708.db2.gz BPOVSDUASYLQQW-UHFFFAOYSA-N 0 3 296.345 3.355 20 30 CGEDHN C=CCC[C@H](O)CN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000247636745 377228873 /nfs/dbraw/zinc/22/88/73/377228873.db2.gz VGHOFARZSGAICO-BHYGNILZSA-N 0 3 291.460 3.492 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@@H](CC)c1ccccc1OC ZINC000561955145 377254346 /nfs/dbraw/zinc/25/43/46/377254346.db2.gz JKPBDGZAPPNVEG-ZBFHGGJFSA-N 0 3 277.408 3.405 20 30 CGEDHN COc1ccc(OCCN(C)Cc2cccc(C#N)c2)cc1 ZINC000248125477 377270393 /nfs/dbraw/zinc/27/03/93/377270393.db2.gz FLWJPKMBXBIARY-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccc3ccoc3c2)CC1 ZINC000567555120 377507294 /nfs/dbraw/zinc/50/72/94/377507294.db2.gz DBPQNCIERYQIKC-UHFFFAOYSA-N 0 3 299.374 3.205 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000564809427 377480124 /nfs/dbraw/zinc/48/01/24/377480124.db2.gz GXZDFSORPORHLQ-UKPHBRMFSA-N 0 3 285.366 3.495 20 30 CGEDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)C(C)C#N ZINC000341381159 377537845 /nfs/dbraw/zinc/53/78/45/377537845.db2.gz SEHVUZBTUZQHGV-YDHLFZDLSA-N 0 3 286.375 3.154 20 30 CGEDHN CN(C)Cc1ccc(-c2ccccc2CNCCC#N)cc1 ZINC000569110563 377526543 /nfs/dbraw/zinc/52/65/43/377526543.db2.gz IINDGYWBOPNLIS-UHFFFAOYSA-N 0 3 293.414 3.418 20 30 CGEDHN CO[C@H](CN[C@H](C)c1cccc(C#N)c1)CC(C)C ZINC000417388090 249125496 /nfs/dbraw/zinc/12/54/96/249125496.db2.gz ZIMUVFSWLMXLLZ-CJNGLKHVSA-N 0 3 260.381 3.270 20 30 CGEDHN Cc1cccnc1C(C)(C)CNCc1ccc(C#N)c(F)c1 ZINC000421357972 249126155 /nfs/dbraw/zinc/12/61/55/249126155.db2.gz RJRKNLFSSQRXJM-UHFFFAOYSA-N 0 3 297.377 3.468 20 30 CGEDHN CC(C)OCc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000572564913 377548663 /nfs/dbraw/zinc/54/86/63/377548663.db2.gz LUYUJSYWDDASHS-YOEHRIQHSA-N 0 3 272.392 3.393 20 30 CGEDHN CCCn1ccc(CN2CCC(CCC#N)CC2)c1 ZINC000573371492 377556230 /nfs/dbraw/zinc/55/62/30/377556230.db2.gz FDFBAMKXKJIHRY-UHFFFAOYSA-N 0 3 259.397 3.414 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)cc1F ZINC000443983353 249137519 /nfs/dbraw/zinc/13/75/19/249137519.db2.gz HEKOTBYDVBBMIA-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN C=CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000177101233 542191059 /nfs/dbraw/zinc/19/10/59/542191059.db2.gz WMTQQXKDSNUOAS-GASCZTMLSA-N 0 3 272.392 3.078 20 30 CGEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(C)cc1 ZINC000516902242 249248366 /nfs/dbraw/zinc/24/83/66/249248366.db2.gz SPCKXNMWWKZCSH-UHFFFAOYSA-N 0 3 267.376 3.227 20 30 CGEDHN Cc1cc(OCc2c(C#N)cccc2[N+](=O)[O-])c(C)c(C)n1 ZINC000515868068 249222878 /nfs/dbraw/zinc/22/28/78/249222878.db2.gz ZIYBBHUQCQUHNA-UHFFFAOYSA-N 0 3 297.314 3.366 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000181311158 542218876 /nfs/dbraw/zinc/21/88/76/542218876.db2.gz FVBDOSGLIXUDRW-KRWDZBQOSA-N 0 3 285.387 3.087 20 30 CGEDHN C[C@]1(Cc2ccccc2)CCCN1CC1(C#N)CC1 ZINC000342678837 377728459 /nfs/dbraw/zinc/72/84/59/377728459.db2.gz LIRFKNQKIVZSLY-MRXNPFEDSA-N 0 3 254.377 3.387 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H]1CCCOC1 ZINC000342684259 377733762 /nfs/dbraw/zinc/73/37/62/377733762.db2.gz TZTAIYXTETVCGM-CYBMUJFWSA-N 0 3 251.395 3.163 20 30 CGEDHN C=CCCN(C)Cc1ccc(OCC)c(OCC)c1 ZINC000342719390 377753350 /nfs/dbraw/zinc/75/33/50/377753350.db2.gz IVAYTKQMDSOIEY-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C=CCCN(C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000342743084 377768128 /nfs/dbraw/zinc/76/81/28/377768128.db2.gz YGXFHSAAUYCPFW-AWEZNQCLSA-N 0 3 296.773 3.092 20 30 CGEDHN C=CCN(Cc1cnc(N)s1)CC1CCCCC1 ZINC000262000980 377878878 /nfs/dbraw/zinc/87/88/78/377878878.db2.gz LHPYYHARSRCTMQ-UHFFFAOYSA-N 0 3 265.426 3.294 20 30 CGEDHN CC[C@@H](C)N[C@@H](CNc1cccc(C#N)n1)c1ccco1 ZINC000343255621 377940701 /nfs/dbraw/zinc/94/07/01/377940701.db2.gz VNJZNPUULAELFI-OCCSQVGLSA-N 0 3 284.363 3.088 20 30 CGEDHN N#CCCCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000265648198 378007261 /nfs/dbraw/zinc/00/72/61/378007261.db2.gz MUCAMQCOWWWKMR-UHFFFAOYSA-N 0 3 280.375 3.346 20 30 CGEDHN CC[C@H](NCCc1cccc(C#N)c1)c1ccc(F)cn1 ZINC000343526959 378007816 /nfs/dbraw/zinc/00/78/16/378007816.db2.gz HLWOKYFNNFRVLN-INIZCTEOSA-N 0 3 283.350 3.376 20 30 CGEDHN CN(CCN(C)c1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343532293 378011438 /nfs/dbraw/zinc/01/14/38/378011438.db2.gz POBPFKASPOPFFX-UHFFFAOYSA-N 0 3 293.414 3.321 20 30 CGEDHN C=C(C)COCCN[C@H]1CCc2cc(F)c(OC)cc21 ZINC000343477344 377992104 /nfs/dbraw/zinc/99/21/04/377992104.db2.gz VTOQVPNYGSWSDO-HNNXBMFYSA-N 0 3 279.355 3.004 20 30 CGEDHN COc1cc2c(cc1F)CC[C@H]2NCC1(CC#N)CC1 ZINC000343493278 377995098 /nfs/dbraw/zinc/99/50/98/377995098.db2.gz OYFWLPREYHKUGU-CQSZACIVSA-N 0 3 274.339 3.105 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343498105 377996554 /nfs/dbraw/zinc/99/65/54/377996554.db2.gz ACXXWKRZJQWBOP-ZBFHGGJFSA-N 0 3 278.440 3.254 20 30 CGEDHN C=CCOc1ccc(CN2CCCO[C@@H](CC)C2)cc1 ZINC000343654869 378054648 /nfs/dbraw/zinc/05/46/48/378054648.db2.gz IATRAEMVCVYMFW-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOc1ccccc1CN(C)CCCSC ZINC000343653969 378054949 /nfs/dbraw/zinc/05/49/49/378054949.db2.gz GWPHCMKXYNSWRW-UHFFFAOYSA-N 0 3 265.422 3.436 20 30 CGEDHN N#CCSCCCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000266777855 378025632 /nfs/dbraw/zinc/02/56/32/378025632.db2.gz XDGACFFVGVAXQA-CQSZACIVSA-N 0 3 278.396 3.262 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2ccccc2OCC)CC1 ZINC000268875231 378139178 /nfs/dbraw/zinc/13/91/78/378139178.db2.gz APVGJBRHMVDKPG-UHFFFAOYSA-N 0 3 288.391 3.066 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc3ccccc3n2)o1 ZINC000343959921 378143967 /nfs/dbraw/zinc/14/39/67/378143967.db2.gz PVRWXWIHTNIELL-UHFFFAOYSA-N 0 3 277.327 3.032 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)COC2 ZINC000268779450 378109804 /nfs/dbraw/zinc/10/98/04/378109804.db2.gz SPCLZKMYLCSXMX-ZDUSSCGKSA-N 0 3 278.355 3.439 20 30 CGEDHN CC(C)[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000582210505 378293630 /nfs/dbraw/zinc/29/36/30/378293630.db2.gz TYLSYPOZXZCBKS-NEPJUHHUSA-N 0 3 263.410 3.319 20 30 CGEDHN CCN(Cc1ccc(CN(C)C)cc1)c1cccc(C#N)n1 ZINC000270061626 378302378 /nfs/dbraw/zinc/30/23/78/378302378.db2.gz PAPQFAPXLNMMBZ-UHFFFAOYSA-N 0 3 294.402 3.041 20 30 CGEDHN C[C@@H]1CCCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000583847259 378351883 /nfs/dbraw/zinc/35/18/83/378351883.db2.gz NDOZQWURVDEWRB-CYBMUJFWSA-N 0 3 296.374 3.230 20 30 CGEDHN C[C@@H](NC[C@](C)(O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271936681 378524270 /nfs/dbraw/zinc/52/42/70/378524270.db2.gz KKLXJTFOPBODRS-ACJLOTCBSA-N 0 3 298.361 3.256 20 30 CGEDHN C=C(C)CN(CC)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637368968 378490716 /nfs/dbraw/zinc/49/07/16/378490716.db2.gz CWLOQVHDFYQVTE-INIZCTEOSA-N 0 3 293.455 3.001 20 30 CGEDHN COC1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000346243715 378518588 /nfs/dbraw/zinc/51/85/88/378518588.db2.gz APGXBBLELQZIBD-XGNXJENSSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2cn[nH]c21)c1ccc(C#N)c(F)c1 ZINC000271925521 378519516 /nfs/dbraw/zinc/51/95/16/378519516.db2.gz GHGINQSDIKWGHO-MEBBXXQBSA-N 0 3 284.338 3.149 20 30 CGEDHN C[C@H](NC[C@H](CO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271978910 378536187 /nfs/dbraw/zinc/53/61/87/378536187.db2.gz WMWQGXMYJALFBX-SUMWQHHRSA-N 0 3 298.361 3.124 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272644139 378682873 /nfs/dbraw/zinc/68/28/73/378682873.db2.gz YBFKKZXWXXEUAK-GOSISDBHSA-N 0 3 292.382 3.459 20 30 CGEDHN Cc1ccnc(NC[C@H](c2cccs2)N(C)C)c1C#N ZINC000273024058 378735118 /nfs/dbraw/zinc/73/51/18/378735118.db2.gz LLJGPLGMQNUTGT-CYBMUJFWSA-N 0 3 286.404 3.038 20 30 CGEDHN CO[C@H](CNCC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000638897313 378949255 /nfs/dbraw/zinc/94/92/55/378949255.db2.gz GDSAGXKSXFBTCC-OAHLLOKOSA-N 0 3 297.320 3.072 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCC[C@@H]1SCC ZINC000348472303 378962476 /nfs/dbraw/zinc/96/24/76/378962476.db2.gz XHKNOFQVKMCWIR-ZNMIVQPWSA-N 0 3 298.496 3.063 20 30 CGEDHN N#Cc1ccccc1OCCN1CC[C@@H](c2ccco2)C1 ZINC000370290841 379003085 /nfs/dbraw/zinc/00/30/85/379003085.db2.gz XCGRCFHWHGCHGG-OAHLLOKOSA-N 0 3 282.343 3.020 20 30 CGEDHN C[C@@H](F)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000370584014 379034533 /nfs/dbraw/zinc/03/45/33/379034533.db2.gz NDPQRXYLCYJBCA-CYBMUJFWSA-N 0 3 276.355 3.150 20 30 CGEDHN C=CC[C@H]1N(Cc2cnc3cnccn23)CCCC1(C)C ZINC000278736297 194129386 /nfs/dbraw/zinc/12/93/86/194129386.db2.gz QXYLDBIFXJYWFO-OAHLLOKOSA-N 0 3 284.407 3.296 20 30 CGEDHN C=CCC[C@H](C)[NH2+][C@@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000277263860 379113461 /nfs/dbraw/zinc/11/34/61/379113461.db2.gz PCUBQDDHJIOFIJ-SRVKXCTJSA-N 0 3 250.390 3.324 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000277263860 379113467 /nfs/dbraw/zinc/11/34/67/379113467.db2.gz PCUBQDDHJIOFIJ-SRVKXCTJSA-N 0 3 250.390 3.324 20 30 CGEDHN CC[C@@H](NCc1cccnc1)c1ccc(C#N)cc1 ZINC000278199666 379315262 /nfs/dbraw/zinc/31/52/62/379315262.db2.gz GINRQVVZFQXFHP-MRXNPFEDSA-N 0 3 251.333 3.194 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccco3)C2)c(F)c1 ZINC000374009222 379361706 /nfs/dbraw/zinc/36/17/06/379361706.db2.gz WPPWMDUMVBLAER-AWEZNQCLSA-N 0 3 270.307 3.280 20 30 CGEDHN C=CCOc1ccc(CN(CC)CCOC)cc1Cl ZINC000349852063 379421054 /nfs/dbraw/zinc/42/10/54/379421054.db2.gz ABDQMOIEYVNNLF-UHFFFAOYSA-N 0 3 283.799 3.373 20 30 CGEDHN C=CCOc1ccc(CN(CCO)C(C)C)cc1Cl ZINC000350079518 379498923 /nfs/dbraw/zinc/49/89/23/379498923.db2.gz MRTDMFJWSXJRLA-UHFFFAOYSA-N 0 3 283.799 3.108 20 30 CGEDHN C=CCN1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000375933203 379517268 /nfs/dbraw/zinc/51/72/68/379517268.db2.gz QICNTMKAYRGPJQ-UHFFFAOYSA-N 0 3 299.374 3.111 20 30 CGEDHN C=CCCCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000267165252 190308550 /nfs/dbraw/zinc/30/85/50/190308550.db2.gz SBBNSVVBOMNDCH-UHFFFAOYSA-N 0 3 260.381 3.351 20 30 CGEDHN C=C(C)CCN1CCc2c(ccc(OC)c2OC)C1 ZINC000351732342 379742565 /nfs/dbraw/zinc/74/25/65/379742565.db2.gz QIGNXAQHFZVUBD-UHFFFAOYSA-N 0 3 261.365 3.028 20 30 CGEDHN C=C(C)CCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280884619 379809717 /nfs/dbraw/zinc/80/97/17/379809717.db2.gz POBVAFXGUHAYPX-GOEBONIOSA-N 0 3 295.448 3.025 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000280751521 379780592 /nfs/dbraw/zinc/78/05/92/379780592.db2.gz XWCAWBBEMULVLX-LGWLGOQQSA-N 0 3 275.392 3.474 20 30 CGEDHN N#Cc1ccccc1CN1CC[C@H](Cc2ccncc2)C1 ZINC000378637390 379851128 /nfs/dbraw/zinc/85/11/28/379851128.db2.gz NCHVNHMFWVKZHO-MRXNPFEDSA-N 0 3 277.371 3.018 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccco2)C1 ZINC000378358999 379811765 /nfs/dbraw/zinc/81/17/65/379811765.db2.gz FWJZRHGULDCJGJ-OAHLLOKOSA-N 0 3 282.343 3.149 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 ZINC000352808192 379971898 /nfs/dbraw/zinc/97/18/98/379971898.db2.gz BPQSBNLMULMPEU-IJLUTSLNSA-N 0 3 261.394 3.073 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC23CCOCC3)c(F)c1 ZINC000282575539 379948902 /nfs/dbraw/zinc/94/89/02/379948902.db2.gz FSJJBEVEJMJCAQ-MRXNPFEDSA-N 0 3 288.366 3.136 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C(C)=C2CCCC2)CC1 ZINC000267858718 190359471 /nfs/dbraw/zinc/35/94/71/190359471.db2.gz NNIVUCDQQIOXFQ-UHFFFAOYSA-N 0 3 276.424 3.034 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000352917385 380037377 /nfs/dbraw/zinc/03/73/77/380037377.db2.gz WYLMOOVHUDBVPX-RRFJBIMHSA-N 0 3 280.412 3.170 20 30 CGEDHN CC[C@H]1CN([C@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522359 380149306 /nfs/dbraw/zinc/14/93/06/380149306.db2.gz ALGHUKKJVRDLPH-AEFFLSMTSA-N 0 3 285.435 3.275 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000268048966 190372817 /nfs/dbraw/zinc/37/28/17/190372817.db2.gz RKACVFWYQKRMID-INIZCTEOSA-N 0 3 295.361 3.066 20 30 CGEDHN COc1cc(CNCc2ccc(C)c(C)c2)ccc1C#N ZINC000353196008 380162734 /nfs/dbraw/zinc/16/27/34/380162734.db2.gz SUIFBNSGFXJHFI-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1ccccc1F)CC2 ZINC000353250379 380188519 /nfs/dbraw/zinc/18/85/19/380188519.db2.gz FUHNOIXUQRCMQL-KRWDZBQOSA-N 0 3 296.345 3.353 20 30 CGEDHN C=CCC[C@H](NC[C@H](CC)CCO)c1ccco1 ZINC000286334304 380197271 /nfs/dbraw/zinc/19/72/71/380197271.db2.gz YAKZCSCSUQHVBF-KGLIPLIRSA-N 0 3 251.370 3.285 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000414299075 380207900 /nfs/dbraw/zinc/20/79/00/380207900.db2.gz JLGOOORGQUDEAI-DZGCQCFKSA-N 0 3 283.375 3.020 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000414299077 380208312 /nfs/dbraw/zinc/20/83/12/380208312.db2.gz JLGOOORGQUDEAI-UKRRQHHQSA-N 0 3 283.375 3.020 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ccn(C)n1 ZINC000414301413 380211747 /nfs/dbraw/zinc/21/17/47/380211747.db2.gz MWRXYILWJIETIT-GDBMZVCRSA-N 0 3 269.392 3.258 20 30 CGEDHN C=CCOCCN[C@@H](Cc1ccncc1)c1cccs1 ZINC000643885784 380389710 /nfs/dbraw/zinc/38/97/10/380389710.db2.gz IFGVICQBUYWQCK-HNNXBMFYSA-N 0 3 288.416 3.219 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416223188 380524704 /nfs/dbraw/zinc/52/47/04/380524704.db2.gz OKXJQBHZROWKSM-IRXDYDNUSA-N 0 3 286.419 3.247 20 30 CGEDHN C[C@H]1[C@@H](C)N(C(=O)C(C#N)CCc2ccccc2)C[C@H]1C ZINC000416316991 380526449 /nfs/dbraw/zinc/52/64/49/380526449.db2.gz CHPLILQEDSJSOA-ANQUJSFKSA-N 0 3 284.403 3.262 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(Oc2ccccc2)o1 ZINC000355682429 380750247 /nfs/dbraw/zinc/75/02/47/380750247.db2.gz LOBRPNUSNYSTKV-AWEZNQCLSA-N 0 3 287.359 3.346 20 30 CGEDHN C=CCCC1(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000355790355 380780329 /nfs/dbraw/zinc/78/03/29/380780329.db2.gz HOAOSTLJMZEAOA-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN CC[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC000419221424 380782085 /nfs/dbraw/zinc/78/20/85/380782085.db2.gz APJJETVXNGLKRC-KRWDZBQOSA-N 0 3 270.376 3.072 20 30 CGEDHN C=C(C)CN[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017761 380800518 /nfs/dbraw/zinc/80/05/18/380800518.db2.gz FYHGZPQMCFHVEE-CYBMUJFWSA-N 0 3 289.297 3.174 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@H](Oc2ccccc2)C1 ZINC000419314043 380801884 /nfs/dbraw/zinc/80/18/84/380801884.db2.gz LUEHFISHBGSJFU-MRXNPFEDSA-N 0 3 272.392 3.470 20 30 CGEDHN Cc1cnc([C@H](C)CNCc2ccc(C#N)c(F)c2)s1 ZINC000421338237 380879443 /nfs/dbraw/zinc/87/94/43/380879443.db2.gz DTDLRTXRDXPOIT-SNVBAGLBSA-N 0 3 289.379 3.356 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CS1 ZINC000421348410 380888248 /nfs/dbraw/zinc/88/82/48/380888248.db2.gz FXCIQTOHIMNMGH-MFKMUULPSA-N 0 3 266.435 3.239 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](O)CC23CCC3)cc1 ZINC000421367488 380902052 /nfs/dbraw/zinc/90/20/52/380902052.db2.gz DUCUPULSHSWJLZ-MRXNPFEDSA-N 0 3 287.403 3.131 20 30 CGEDHN C=CC[C@H](C)NCc1cnc(C(F)(F)F)s1 ZINC000336747021 262022786 /nfs/dbraw/zinc/02/27/86/262022786.db2.gz RRVIKTRWPDYIPN-ZETCQYMHSA-N 0 3 250.289 3.216 20 30 CGEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(F)c1 ZINC000361440940 381746739 /nfs/dbraw/zinc/74/67/39/381746739.db2.gz RPKRFIBRIGMSOP-WCQYABFASA-N 0 3 262.328 3.006 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H]1CCCC12CCOCC2 ZINC000334906649 207271442 /nfs/dbraw/zinc/27/14/42/207271442.db2.gz ZTQFSLKUTGIOKR-MRXNPFEDSA-N 0 3 288.366 3.136 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@](C)(CCC)C1 ZINC000362433858 381988874 /nfs/dbraw/zinc/98/88/74/381988874.db2.gz IMAWKZXXGYGTOU-KRWDZBQOSA-N 0 3 278.440 3.089 20 30 CGEDHN C[C@@H]1CC[C@@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000362439836 381991619 /nfs/dbraw/zinc/99/16/19/381991619.db2.gz PMPMWFYZXMAWCT-ZIAGYGMSSA-N 0 3 267.376 3.431 20 30 CGEDHN C=CCC[C@H](CC)N[C@H]1CCCc2cn(CCOC)nc21 ZINC000368188062 382367961 /nfs/dbraw/zinc/36/79/61/382367961.db2.gz KPVNONPIXWRMQP-HOTGVXAUSA-N 0 3 291.439 3.241 20 30 CGEDHN COc1ccc2c(c1F)CC[C@@H]2NCc1cccc(C#N)c1 ZINC000289262740 197278555 /nfs/dbraw/zinc/27/85/55/197278555.db2.gz OMGXTJKTLHHONT-INIZCTEOSA-N 0 3 296.345 3.483 20 30 CGEDHN COc1ccc2c(c1F)CC[C@H]2NCc1cccc(C#N)c1 ZINC000289262741 197278628 /nfs/dbraw/zinc/27/86/28/197278628.db2.gz OMGXTJKTLHHONT-MRXNPFEDSA-N 0 3 296.345 3.483 20 30 CGEDHN N#CCC[C@H](NC[C@@H]1CCC=CO1)c1ccccc1 ZINC000194523650 262239015 /nfs/dbraw/zinc/23/90/15/262239015.db2.gz WTHBZFDPKYVZPB-HOTGVXAUSA-N 0 3 256.349 3.314 20 30 CGEDHN C=CCCCN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093533702 392239531 /nfs/dbraw/zinc/23/95/31/392239531.db2.gz HNSLBCDNATTXEO-UHFFFAOYSA-N 0 3 255.365 3.475 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCN(C(=O)OCC)C1)c1ccco1 ZINC000286140322 392377300 /nfs/dbraw/zinc/37/73/00/392377300.db2.gz OKWAEEBHMMECIX-KBPBESRZSA-N 0 3 292.379 3.107 20 30 CGEDHN C=C[C@@H](CO)N[C@H](CC)c1ccc(Br)cc1 ZINC000289578438 392425423 /nfs/dbraw/zinc/42/54/23/392425423.db2.gz BHJHJJMJSXYZNB-QWHCGFSZSA-N 0 3 284.197 3.037 20 30 CGEDHN C=CCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000363479147 392428071 /nfs/dbraw/zinc/42/80/71/392428071.db2.gz FTYKFMQKQREOLH-UHFFFAOYSA-N 0 3 269.348 3.102 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](CC)c1ccc(OCC)c(OCC)c1 ZINC000289747191 392431665 /nfs/dbraw/zinc/43/16/65/392431665.db2.gz KWPJBIRMSWBRIQ-GJZGRUSLSA-N 0 3 293.407 3.072 20 30 CGEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124942433 392436485 /nfs/dbraw/zinc/43/64/85/392436485.db2.gz QGBHKVYHCFIALK-KSZLIROESA-N 0 3 284.403 3.074 20 30 CGEDHN C=CCCOCCN[C@H]1CCc2c1ccc(OC)c2F ZINC000290525232 392449246 /nfs/dbraw/zinc/44/92/46/392449246.db2.gz ZCWIMOCCLCAXKW-AWEZNQCLSA-N 0 3 279.355 3.004 20 30 CGEDHN Cc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)CCCO2 ZINC000366826762 392459404 /nfs/dbraw/zinc/45/94/04/392459404.db2.gz NJSZTLVJFQYSTG-OAHLLOKOSA-N 0 3 270.376 3.492 20 30 CGEDHN CC#CCCN1CCC(Oc2ccc(C)cc2)CC1 ZINC000155728814 392543524 /nfs/dbraw/zinc/54/35/24/392543524.db2.gz CLEJTLHRDDVRBA-UHFFFAOYSA-N 0 3 257.377 3.252 20 30 CGEDHN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)N1C ZINC000135267258 392474770 /nfs/dbraw/zinc/47/47/70/392474770.db2.gz GQGMHUGKWDYZFT-QWRGUYRKSA-N 0 3 297.324 3.106 20 30 CGEDHN CN(C)CCOc1cccc(NCc2cccc(C#N)c2)c1 ZINC000315745488 392669282 /nfs/dbraw/zinc/66/92/82/392669282.db2.gz GUNDFVXEKDYRLN-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN C=CCC[C@@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647345433 392694615 /nfs/dbraw/zinc/69/46/15/392694615.db2.gz JHHNBHXFWCLJFJ-DOMZBBRYSA-N 0 3 251.345 3.194 20 30 CGEDHN Cc1cccc2nc(CNCC(C)(C)CCC#N)cn21 ZINC000174374633 392640881 /nfs/dbraw/zinc/64/08/81/392640881.db2.gz BEDDSDLFFGVPSJ-UHFFFAOYSA-N 0 3 270.380 3.062 20 30 CGEDHN C=C(C)COc1cc(CN(C)[C@@H](C)COC)ccc1OC ZINC000179373832 392700627 /nfs/dbraw/zinc/70/06/27/392700627.db2.gz UGOUJFMRPFDIDV-AWEZNQCLSA-N 0 3 293.407 3.117 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000336549223 392862762 /nfs/dbraw/zinc/86/27/62/392862762.db2.gz XPDNFIHTUDOQIM-RISCZKNCSA-N 0 3 260.312 3.039 20 30 CGEDHN C[C@@H]1CCN(CCOCCC#N)[C@@H]1c1cccc(F)c1 ZINC000339011195 392941914 /nfs/dbraw/zinc/94/19/14/392941914.db2.gz QOVIASJPPPSTOP-CJNGLKHVSA-N 0 3 276.355 3.139 20 30 CGEDHN C[C@H](CCC#N)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000411693945 392984572 /nfs/dbraw/zinc/98/45/72/392984572.db2.gz GNQMJXCIDDGULY-CYBMUJFWSA-N 0 3 293.361 3.169 20 30 CGEDHN C=CCOCCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412015717 392993256 /nfs/dbraw/zinc/99/32/56/392993256.db2.gz TYNSSHYPZGFZTL-QGZVFWFLSA-N 0 3 287.403 3.043 20 30 CGEDHN CC(C)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000231699214 393025064 /nfs/dbraw/zinc/02/50/64/393025064.db2.gz GGJKVUIYINPWEE-UHFFFAOYSA-N 0 3 272.392 3.305 20 30 CGEDHN C=C(C)COCCNCc1cc2cc(Cl)cnc2o1 ZINC000648478122 393050815 /nfs/dbraw/zinc/05/08/15/393050815.db2.gz URCKTOSJDSELPT-UHFFFAOYSA-N 0 3 280.755 3.164 20 30 CGEDHN C=CCOc1ccccc1CNCC1([C@H](O)C(C)C)CC1 ZINC000345680919 393063306 /nfs/dbraw/zinc/06/33/06/393063306.db2.gz BTULSFCPWDBFRQ-QGZVFWFLSA-N 0 3 289.419 3.138 20 30 CGEDHN CO[C@@]1(C)C[C@H](N(C)Cc2ccc(C#N)cc2)C1(C)C ZINC000353956965 393235709 /nfs/dbraw/zinc/23/57/09/393235709.db2.gz NAEBGOLGEHVDQY-RDJZCZTQSA-N 0 3 272.392 3.194 20 30 CGEDHN CC#CCCCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000274367208 393284790 /nfs/dbraw/zinc/28/47/90/393284790.db2.gz YXVDCNMKKXVMCV-UHFFFAOYSA-N 0 3 283.375 3.144 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1F)[C@H]1CCC[C@@H]1C ZINC000488100822 393457951 /nfs/dbraw/zinc/45/79/51/393457951.db2.gz ZGESRDDXRGGHJX-GUYCJALGSA-N 0 3 290.382 3.334 20 30 CGEDHN C=CCC[C@@H](C)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000361053203 393657931 /nfs/dbraw/zinc/65/79/31/393657931.db2.gz QEYOWZICFMIALN-PBHICJAKSA-N 0 3 274.408 3.020 20 30 CGEDHN C=Cc1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000361144912 393684330 /nfs/dbraw/zinc/68/43/30/393684330.db2.gz MCZRRHSEEAMCOZ-UHFFFAOYSA-N 0 3 252.317 3.127 20 30 CGEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000443515555 393760512 /nfs/dbraw/zinc/76/05/12/393760512.db2.gz BOEZPKFSXZIMQU-WDEREUQCSA-N 0 3 297.324 3.106 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)c(C)c1)c1ccc(F)cc1 ZINC000444001895 393782033 /nfs/dbraw/zinc/78/20/33/393782033.db2.gz LVMAVVZQGZKQRI-SFHVURJKSA-N 0 3 298.361 3.483 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)[C@@H]1C(C)C ZINC000449559801 393903297 /nfs/dbraw/zinc/90/32/97/393903297.db2.gz ZEXBDQVTWAPCGR-FUHWJXTLSA-N 0 3 296.418 3.318 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000668369768 543007901 /nfs/dbraw/zinc/00/79/01/543007901.db2.gz DTOJNPJSVISNEG-OAHLLOKOSA-N 0 3 290.451 3.114 20 30 CGEDHN C#CCCN1CCC(NC(=O)C[C@@H](CC)CCCC)CC1 ZINC000743492614 572666485 /nfs/dbraw/zinc/66/64/85/572666485.db2.gz XPCQFPCCLOTVGT-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000671699631 543177705 /nfs/dbraw/zinc/17/77/05/543177705.db2.gz KTMXPCNXAGYURO-IRXDYDNUSA-N 0 3 295.373 3.485 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000671699632 543178169 /nfs/dbraw/zinc/17/81/69/543178169.db2.gz KTMXPCNXAGYURO-SJORKVTESA-N 0 3 295.373 3.485 20 30 CGEDHN N#CC(C(=O)c1ccoc1)c1ccc2ccccc2n1 ZINC000047375846 397632363 /nfs/dbraw/zinc/63/23/63/397632363.db2.gz PWSLDVPCEDERQS-ZDUSSCGKSA-N 0 3 262.268 3.318 20 30 CGEDHN C=C(CC)CN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000649779051 397718766 /nfs/dbraw/zinc/71/87/66/397718766.db2.gz HPVDTIDRBKWAEP-DZGCQCFKSA-N 0 3 289.423 3.414 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1oc2c(cccc2C)c1C ZINC000649820298 397728217 /nfs/dbraw/zinc/72/82/17/397728217.db2.gz ZNWORSKLVUMMGE-HNNXBMFYSA-N 0 3 273.376 3.418 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000650256602 397809798 /nfs/dbraw/zinc/80/97/98/397809798.db2.gz IKKARJMYUXSPKC-KRWDZBQOSA-N 0 3 295.373 3.156 20 30 CGEDHN Cc1ncccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000676103796 543382253 /nfs/dbraw/zinc/38/22/53/543382253.db2.gz IJUCBLLZCCEQLN-HNNXBMFYSA-N 0 3 287.322 3.428 20 30 CGEDHN Cc1cncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000676104221 543382472 /nfs/dbraw/zinc/38/24/72/543382472.db2.gz XWHSYLQZGDNHPI-OAHLLOKOSA-N 0 3 287.322 3.428 20 30 CGEDHN CCC#C[C@H](C)N1CCC(OCc2ccccc2)CC1 ZINC000677476710 543450803 /nfs/dbraw/zinc/45/08/03/543450803.db2.gz ZZXBUGQAXUXDFR-INIZCTEOSA-N 0 3 271.404 3.470 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000677802173 543466011 /nfs/dbraw/zinc/46/60/11/543466011.db2.gz FFZVMKYEBOQQBA-CYBMUJFWSA-N 0 3 274.191 3.362 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000678742750 543552140 /nfs/dbraw/zinc/55/21/40/543552140.db2.gz PYONYCLUISERQG-STQMWFEESA-N 0 3 291.391 3.165 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000678745449 543553352 /nfs/dbraw/zinc/55/33/52/543553352.db2.gz QVSYZWRFVHPUJT-UONOGXRCSA-N 0 3 284.403 3.488 20 30 CGEDHN COCC#CCNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000678785606 543558285 /nfs/dbraw/zinc/55/82/85/543558285.db2.gz MJMZXRYRBWWPAB-UHFFFAOYSA-N 0 3 297.320 3.324 20 30 CGEDHN CCCCCCCCC(=O)NCCN1CC[C@@H](C)C1 ZINC000744799048 572776492 /nfs/dbraw/zinc/77/64/92/572776492.db2.gz STLDXZVPTAUELM-OAHLLOKOSA-N 0 3 268.445 3.195 20 30 CGEDHN CN1CCN(Cc2cc(C#N)cs2)C2(CCCCC2)C1 ZINC000093872072 165338047 /nfs/dbraw/zinc/33/80/47/165338047.db2.gz UKNBIIOLKHXLMN-UHFFFAOYSA-N 0 3 289.448 3.070 20 30 CGEDHN COCC#CCN[C@H](CC1CCC1)c1ccccc1 ZINC000679220352 543601250 /nfs/dbraw/zinc/60/12/50/543601250.db2.gz JBIQLRUJVWQWDT-QGZVFWFLSA-N 0 3 257.377 3.157 20 30 CGEDHN N#CCc1ccc(CN2CCCc3occc3C2)cc1 ZINC000344304094 225021496 /nfs/dbraw/zinc/02/14/96/225021496.db2.gz VUKYDMHTWMNXOI-UHFFFAOYSA-N 0 3 266.344 3.294 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000679870867 543666308 /nfs/dbraw/zinc/66/63/08/543666308.db2.gz HCDZJOXOPKCQHW-MRXNPFEDSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000680635525 543721237 /nfs/dbraw/zinc/72/12/37/543721237.db2.gz AKNAWNJVEDZOPY-CHWSQXEVSA-N 0 3 257.381 3.264 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(F)cc2F)C1 ZINC000334693948 225276486 /nfs/dbraw/zinc/27/64/86/225276486.db2.gz SLKOGGNCUQYYBC-MFKMUULPSA-N 0 3 250.292 3.137 20 30 CGEDHN CC(C#N)C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000347106565 226052664 /nfs/dbraw/zinc/05/26/64/226052664.db2.gz MDTMEZRJOLCUGO-ZDUSSCGKSA-N 0 3 288.416 3.367 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(Br)cc1C ZINC000683525211 543920786 /nfs/dbraw/zinc/92/07/86/543920786.db2.gz PIDRMBFTOGGPLX-CQSZACIVSA-N 0 3 298.224 3.126 20 30 CGEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(C)C#N ZINC000347029266 226019195 /nfs/dbraw/zinc/01/91/95/226019195.db2.gz ALVTWLXYAKEGFM-MNOVXSKESA-N 0 3 299.399 3.455 20 30 CGEDHN C=C[C@@](C)(CC)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000685326848 544063001 /nfs/dbraw/zinc/06/30/01/544063001.db2.gz JSKMIGSJKHQBJA-IAYQEVDDSA-N 0 3 275.396 3.264 20 30 CGEDHN CCC#C[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000685581657 544086465 /nfs/dbraw/zinc/08/64/65/544086465.db2.gz RCEGPFQHXYEQLZ-ZLIFDBKOSA-N 0 3 292.373 3.102 20 30 CGEDHN C=CCN1CCC(NC(=O)N(C)C2CCCCCC2)CC1 ZINC000171737462 335076563 /nfs/dbraw/zinc/07/65/63/335076563.db2.gz XKTJLIOYOXHAHU-UHFFFAOYSA-N 0 3 293.455 3.001 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000335759323 226776550 /nfs/dbraw/zinc/77/65/50/226776550.db2.gz NAFNPNYMLHIUQT-YGRLFVJLSA-N 0 3 276.767 3.057 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000659328788 418975919 /nfs/dbraw/zinc/97/59/19/418975919.db2.gz IWFZAXGUPRXIFX-BRWVUGGUSA-N 0 3 286.419 3.328 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@@H](C)CN2CCC(C)CC2)c1 ZINC000664455435 418961237 /nfs/dbraw/zinc/96/12/37/418961237.db2.gz BAOPWUFHCWCPGW-AWEZNQCLSA-N 0 3 299.418 3.293 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@H](C)[C@@H]2CCC)nn1 ZINC000653582193 419053479 /nfs/dbraw/zinc/05/34/79/419053479.db2.gz BCDCQRQOIAURDR-HOCLYGCPSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)nn1 ZINC000653608524 419059376 /nfs/dbraw/zinc/05/93/76/419059376.db2.gz VEKFGAXCXFXZBI-USXIJHARSA-N 0 3 290.455 3.405 20 30 CGEDHN C=C(C)CN(C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000653609563 419059530 /nfs/dbraw/zinc/05/95/30/419059530.db2.gz UTCKBWCLZHIMGP-UHFFFAOYSA-N 0 3 288.391 3.116 20 30 CGEDHN C=C(CN[C@@H](C)c1cncnc1C)c1ccccc1 ZINC000655701499 419070519 /nfs/dbraw/zinc/07/05/19/419070519.db2.gz GAAKOVPKRGRUIG-ZDUSSCGKSA-N 0 3 253.349 3.149 20 30 CGEDHN C=CCCn1cc(CN[C@H](CCC)C(C)(C)C)nn1 ZINC000653731537 419076522 /nfs/dbraw/zinc/07/65/22/419076522.db2.gz DREZTFVXFSYNLZ-CQSZACIVSA-N 0 3 264.417 3.159 20 30 CGEDHN C=CCN(Cc1ccc2ncccc2c1)[C@H](C)COC ZINC000661240772 419243054 /nfs/dbraw/zinc/24/30/54/419243054.db2.gz QXFZQEKMUGRFDZ-CQSZACIVSA-N 0 3 270.376 3.258 20 30 CGEDHN C=CCN(C[C@@H]1CCC2(CCCC2)O1)[C@@H](C)COC ZINC000661241437 419244649 /nfs/dbraw/zinc/24/46/49/419244649.db2.gz YFGODUQAFALRBA-GJZGRUSLSA-N 0 3 267.413 3.001 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000661379850 419255286 /nfs/dbraw/zinc/25/52/86/419255286.db2.gz IYLSBGQWLRGNTI-MAUKXSAKSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCCn1cc(CN[C@@H](CCC)Cc2ccccc2)nn1 ZINC000657345848 419255541 /nfs/dbraw/zinc/25/55/41/419255541.db2.gz RVRLGMCEWBLHLN-KRWDZBQOSA-N 0 3 298.434 3.355 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2c(C)cccc2C)C1=O ZINC000661135430 419234368 /nfs/dbraw/zinc/23/43/68/419234368.db2.gz BVPSLJRZAHJQLH-IRXDYDNUSA-N 0 3 298.430 3.227 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)CCCC(C)C)nn1 ZINC000657286236 419242677 /nfs/dbraw/zinc/24/26/77/419242677.db2.gz WOPOGEQWFGVQNN-AWEZNQCLSA-N 0 3 264.417 3.159 20 30 CGEDHN C=CCCn1cc(CNC[C@@H](c2ccccc2)C2CC2)nn1 ZINC000657472977 419287264 /nfs/dbraw/zinc/28/72/64/419287264.db2.gz CUVREKQMVQPXEY-SFHVURJKSA-N 0 3 296.418 3.138 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cc2n(n1)CCC2 ZINC000657496349 419293430 /nfs/dbraw/zinc/29/34/30/419293430.db2.gz OUFOTVJMCNMOGY-MRXNPFEDSA-N 0 3 281.403 3.106 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C2CCC2)C2CCCC2)nn1 ZINC000657499096 419295652 /nfs/dbraw/zinc/29/56/52/419295652.db2.gz URXZDMDYCHCNST-QGZVFWFLSA-N 0 3 288.439 3.303 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)[C@H]2CC3CCC2CC3)nn1 ZINC000657503370 419295828 /nfs/dbraw/zinc/29/58/28/419295828.db2.gz GPBNXSAILGPQGH-PBMMVSLJSA-N 0 3 288.439 3.159 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@H]2CC=C)nn1 ZINC000657529697 419299846 /nfs/dbraw/zinc/29/98/46/419299846.db2.gz HAWMCFDGAJHNNZ-GDBMZVCRSA-N 0 3 274.412 3.079 20 30 CGEDHN C=CCCNCc1cnn(Cc2ccccc2Cl)c1 ZINC000657582869 419309407 /nfs/dbraw/zinc/30/94/07/419309407.db2.gz KKYZPMPJBLPAIW-UHFFFAOYSA-N 0 3 275.783 3.251 20 30 CGEDHN C=CCOCCCNCc1ncc(C(C)(C)C)s1 ZINC000657658904 419320740 /nfs/dbraw/zinc/32/07/40/419320740.db2.gz JQTCLSHIBRNASL-UHFFFAOYSA-N 0 3 268.426 3.123 20 30 CGEDHN Cc1cccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000330266466 228085722 /nfs/dbraw/zinc/08/57/22/228085722.db2.gz PYTPWWALXIGRIT-APHBMKBZSA-N 0 3 288.391 3.129 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000662082704 419333066 /nfs/dbraw/zinc/33/30/66/419333066.db2.gz XEFYXRVIORSVRR-OAGGEKHMSA-N 0 3 278.440 3.203 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn2c(cccc2C)n1 ZINC000662081340 419333392 /nfs/dbraw/zinc/33/33/92/419333392.db2.gz VWDRPHNWMQPXPX-IYBDPMFKSA-N 0 3 267.376 3.326 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cc(F)cc(Br)c2)C1 ZINC000336170426 228202825 /nfs/dbraw/zinc/20/28/25/228202825.db2.gz AGILKTJWHZJSSS-RNCFNFMXSA-N 0 3 297.171 3.370 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncnn1-c1ccccc1 ZINC000657994574 419486358 /nfs/dbraw/zinc/48/63/58/419486358.db2.gz VKQQORFHBFKMAO-RDJZCZTQSA-N 0 3 296.418 3.492 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000662600266 419459787 /nfs/dbraw/zinc/45/97/87/419459787.db2.gz FUTBRBYADQKFBW-JLSDUUJJSA-N 0 3 298.430 3.125 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2c1CNC2 ZINC000662601008 419461071 /nfs/dbraw/zinc/46/10/71/419461071.db2.gz IYQXBLXMLVMNNB-SUMWQHHRSA-N 0 3 284.403 3.155 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](CCO)c1ccco1 ZINC000657977807 419475546 /nfs/dbraw/zinc/47/55/46/419475546.db2.gz FQSHPHFRLNBLCE-KFWWJZLASA-N 0 3 263.381 3.428 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(CC)s1 ZINC000658020548 419495911 /nfs/dbraw/zinc/49/59/11/419495911.db2.gz WFVFVGMHUUVPHJ-NWDGAFQWSA-N 0 3 265.426 3.325 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000658027421 419501706 /nfs/dbraw/zinc/50/17/06/419501706.db2.gz NATYSVRQJRZWGD-OLZOCXBDSA-N 0 3 262.401 3.153 20 30 CGEDHN C=CCOCCCN[C@H](C)c1ccc(OC)cc1F ZINC000658210683 419661977 /nfs/dbraw/zinc/66/19/77/419661977.db2.gz VDVVKFLLEAIMSJ-GFCCVEGCSA-N 0 3 267.344 3.078 20 30 CGEDHN C=CCC[C@@H](CC)NCc1nccc(OC)c1F ZINC000658228032 419684649 /nfs/dbraw/zinc/68/46/49/419684649.db2.gz MVPKGOACTDBWGX-LLVKDONJSA-N 0 3 252.333 3.064 20 30 CGEDHN C=CCOCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000658205046 419656989 /nfs/dbraw/zinc/65/69/89/419656989.db2.gz DPZMEKDIQHDZKM-LBPRGKRZSA-N 0 3 285.309 3.274 20 30 CGEDHN C=CCOc1ccccc1CNCCC1(OC)CCC1 ZINC000312604886 260176869 /nfs/dbraw/zinc/17/68/69/260176869.db2.gz BYMHXTDBWPJOAH-UHFFFAOYSA-N 0 3 275.392 3.300 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccccc1 ZINC000107071654 260232308 /nfs/dbraw/zinc/23/23/08/260232308.db2.gz NHEJGEBISSROBD-CABCVRRESA-N 0 3 274.408 3.150 20 30 CGEDHN C=C(CC)CNCc1ccc(OC)c(OC(F)F)c1 ZINC000313476908 260297774 /nfs/dbraw/zinc/29/77/74/260297774.db2.gz BPQLTWBCHOYRQL-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN C=CCC[C@@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000130540573 260397709 /nfs/dbraw/zinc/39/77/09/260397709.db2.gz LWJKPVLCVCGEKD-OLZOCXBDSA-N 0 3 262.401 3.010 20 30 CGEDHN CC1(C)CN(CCCCC#N)CCN1Cc1ccccc1 ZINC000104731806 261354705 /nfs/dbraw/zinc/35/47/05/261354705.db2.gz LSUMMYDHCXCCNT-UHFFFAOYSA-N 0 3 285.435 3.277 20 30 CGEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000491266730 261394481 /nfs/dbraw/zinc/39/44/81/261394481.db2.gz QHHBFGBTPVTJRR-TZMCWYRMSA-N 0 3 292.810 3.367 20 30 CGEDHN C=C(CC)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000309599935 261959033 /nfs/dbraw/zinc/95/90/33/261959033.db2.gz JTBVGOWHNOTZLD-ZDUSSCGKSA-N 0 3 284.197 3.038 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCCOc2cccc(Cl)c2)C1 ZINC000185791556 262071220 /nfs/dbraw/zinc/07/12/20/262071220.db2.gz SKZDFTNOBYBQCQ-OCCSQVGLSA-N 0 3 278.783 3.391 20 30 CGEDHN C[C@@H](CC(=O)Nc1ccccc1)NCc1cccc(C#N)c1 ZINC000319035749 262157408 /nfs/dbraw/zinc/15/74/08/262157408.db2.gz KKRXFRQVDDVFKZ-AWEZNQCLSA-N 0 3 293.370 3.065 20 30 CGEDHN CN(C)Cc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000192868358 262212365 /nfs/dbraw/zinc/21/23/65/262212365.db2.gz VNZAFXOUZSLGEA-CZUORRHYSA-N 0 3 289.398 3.059 20 30 CGEDHN COc1ccc(F)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000193311481 262220566 /nfs/dbraw/zinc/22/05/66/262220566.db2.gz MJZRNYNOZYTBHU-RISCZKNCSA-N 0 3 262.328 3.006 20 30 CGEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000365046523 262269794 /nfs/dbraw/zinc/26/97/94/262269794.db2.gz VNZNQEUBRJZWMU-ZENOOKHLSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCCCCCN1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000488454061 262325598 /nfs/dbraw/zinc/32/55/98/262325598.db2.gz YAACUGDYBVLVIB-IRXDYDNUSA-N 0 3 280.456 3.454 20 30 CGEDHN CC[C@H]1C[C@]1(NCCOCCC#N)c1cccc(C)c1 ZINC000339157702 262605044 /nfs/dbraw/zinc/60/50/44/262605044.db2.gz CKJKGIMCVNCJIB-DOTOQJQBSA-N 0 3 272.392 3.140 20 30 CGEDHN COc1ccc(F)cc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000274663700 263029023 /nfs/dbraw/zinc/02/90/23/263029023.db2.gz WEFWJPZYTSCHHA-LOWVWBTDSA-N 0 3 262.328 3.177 20 30 CGEDHN C#CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000278768424 263050894 /nfs/dbraw/zinc/05/08/94/263050894.db2.gz PBCGUUKHIQDKPD-UAGQMJEPSA-N 0 3 252.361 3.423 20 30 CGEDHN CSc1ccccc1CN(C)CCCSCC#N ZINC000280529061 263062535 /nfs/dbraw/zinc/06/25/35/263062535.db2.gz SHPBUZLYIMISBH-UHFFFAOYSA-N 0 3 280.462 3.487 20 30 CGEDHN CCOC(=O)[C@@H]1CC[C@H](NCCCC#N)c2ccccc21 ZINC000282956079 263079921 /nfs/dbraw/zinc/07/99/21/263079921.db2.gz CFNVHUVJOQOAHD-CVEARBPZSA-N 0 3 286.375 3.062 20 30 CGEDHN C=C(CNCc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000340174299 263082907 /nfs/dbraw/zinc/08/29/07/263082907.db2.gz PZQHGRAHVQDQSE-UHFFFAOYSA-N 0 3 263.344 3.366 20 30 CGEDHN N#CCCCN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000284678297 263087722 /nfs/dbraw/zinc/08/77/22/263087722.db2.gz HFLRAZDGWPYYJG-CYBMUJFWSA-N 0 3 294.196 3.189 20 30 CGEDHN Cc1cc(CNCc2ccc(OCC#N)cc2)cc(C)c1O ZINC000290469105 263117010 /nfs/dbraw/zinc/11/70/10/263117010.db2.gz URAJHTNTDADFJR-UHFFFAOYSA-N 0 3 296.370 3.201 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](Oc3ccc(Cl)cc3)C2)C1 ZINC000293147530 263138361 /nfs/dbraw/zinc/13/83/61/263138361.db2.gz UBRJTOALGSQGPX-INWMFGNUSA-N 0 3 290.794 3.485 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000294482889 263162572 /nfs/dbraw/zinc/16/25/72/263162572.db2.gz PDHOWSHUELHBKI-SFHVURJKSA-N 0 3 297.402 3.161 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OC(F)F)c(F)c2)C1 ZINC000340502727 263176717 /nfs/dbraw/zinc/17/67/17/263176717.db2.gz DINFLADIUPOUAU-KOLCDFICSA-N 0 3 284.281 3.209 20 30 CGEDHN C=C(C)CNCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000119615295 263275972 /nfs/dbraw/zinc/27/59/72/263275972.db2.gz ZFQUXLKHBDLLSE-UHFFFAOYSA-N 0 3 273.355 3.294 20 30 CGEDHN N#CC(C(=O)c1cncc2ccccc21)c1ccccn1 ZINC000340877716 263311223 /nfs/dbraw/zinc/31/12/23/263311223.db2.gz OKARYBIOPWOOLP-AWEZNQCLSA-N 0 3 273.295 3.120 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000341101220 263322141 /nfs/dbraw/zinc/32/21/41/263322141.db2.gz JDAQLHZUTWUPFJ-GOEBONIOSA-N 0 3 270.376 3.160 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(-c2ccccc2)o1 ZINC000341274921 263330222 /nfs/dbraw/zinc/33/02/22/263330222.db2.gz YITSJKSSFVUURU-CQSZACIVSA-N 0 3 271.360 3.221 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(Nc3ccc(F)cc3)CC2)C1 ZINC000334263897 263540735 /nfs/dbraw/zinc/54/07/35/263540735.db2.gz KFYWFBUWLXOCJW-DYVFJYSZSA-N 0 3 287.382 3.394 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H](OC)C1CC1 ZINC000425385906 264220893 /nfs/dbraw/zinc/22/08/93/264220893.db2.gz NYYCGGIIRJZNQH-CQSZACIVSA-N 0 3 251.395 3.161 20 30 CGEDHN C=CCC[C@H](NCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000180039327 264390257 /nfs/dbraw/zinc/39/02/57/264390257.db2.gz OBMIYDUVJNSZBV-HNNXBMFYSA-N 0 3 299.374 3.219 20 30 CGEDHN C[C@H]1[C@H](C)N(Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000356996712 266229177 /nfs/dbraw/zinc/22/91/77/266229177.db2.gz HQSHNTFEVJXTPR-GJZGRUSLSA-N 0 3 285.435 3.012 20 30 CGEDHN C=CCN(C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000357551005 266321626 /nfs/dbraw/zinc/32/16/26/266321626.db2.gz JKTFUAMQGLNWIJ-CQSZACIVSA-N 0 3 299.336 3.259 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000119342859 267323807 /nfs/dbraw/zinc/32/38/07/267323807.db2.gz CQSLCQKNOBHEMK-QWHCGFSZSA-N 0 3 258.365 3.039 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NCC2(C#N)CCC2)C1 ZINC000418136586 267369058 /nfs/dbraw/zinc/36/90/58/267369058.db2.gz CONZLHHCTNZWCG-RDJZCZTQSA-N 0 3 283.419 3.105 20 30 CGEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000532967386 270220527 /nfs/dbraw/zinc/22/05/27/270220527.db2.gz AVJMGZRXABADCW-YOEHRIQHSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CCN[C@@H]1CCOc2c(Br)cccc21 ZINC000275719870 275432010 /nfs/dbraw/zinc/43/20/10/275432010.db2.gz NLDMXYMWAITGPG-LLVKDONJSA-N 0 3 268.154 3.048 20 30 CGEDHN C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)CN1C ZINC000443515551 274362441 /nfs/dbraw/zinc/36/24/41/274362441.db2.gz BOEZPKFSXZIMQU-GHMZBOCLSA-N 0 3 297.324 3.106 20 30 CGEDHN CC1(C)C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000334926501 275861727 /nfs/dbraw/zinc/86/17/27/275861727.db2.gz SWBAWNCJLICRHN-GDBMZVCRSA-N 0 3 270.376 3.093 20 30 CGEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2NCCCC#N ZINC000353239343 277943391 /nfs/dbraw/zinc/94/33/91/277943391.db2.gz BAVUPGJADWGIQE-OAHLLOKOSA-N 0 3 258.365 3.311 20 30 CGEDHN C[C@H](O)CN(Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000340923543 278289176 /nfs/dbraw/zinc/28/91/76/278289176.db2.gz XRMXXDUNIDRJQN-ZDUSSCGKSA-N 0 3 290.382 3.213 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000183784091 278337206 /nfs/dbraw/zinc/33/72/06/278337206.db2.gz KPWLQFCOTJDKHQ-IUODEOHRSA-N 0 3 297.320 3.214 20 30 CGEDHN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000335953798 279214703 /nfs/dbraw/zinc/21/47/03/279214703.db2.gz ROBNANYDWWLZJS-KPZWWZAWSA-N 0 3 294.402 3.328 20 30 CGEDHN N#Cc1c(F)cccc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000428220899 279495396 /nfs/dbraw/zinc/49/53/96/279495396.db2.gz IOAGJIUZZAXSDF-STQMWFEESA-N 0 3 258.340 3.319 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2c2ccccc2)nc1 ZINC000550676548 289081800 /nfs/dbraw/zinc/08/18/00/289081800.db2.gz IYLVQJVOJIVEFJ-ROUUACIJSA-N 0 3 277.371 3.379 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)nc1 ZINC000554066331 289254201 /nfs/dbraw/zinc/25/42/01/289254201.db2.gz GKVNXIXOUMAPMB-PKOBYXMFSA-N 0 3 291.398 3.454 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2CCOC2)CC1 ZINC000371755255 290219054 /nfs/dbraw/zinc/21/90/54/290219054.db2.gz XLWBSRUMVHAYAK-KDOFPFPSSA-N 0 3 284.403 3.368 20 30 CGEDHN C[C@@H]1CN(c2ccc(C#N)cc2F)CCN(C2CCC2)C1 ZINC000292348282 297077674 /nfs/dbraw/zinc/07/76/74/297077674.db2.gz QNPBBFWTKQAQGF-ZDUSSCGKSA-N 0 3 287.382 3.008 20 30 CGEDHN C=CCSCCN[C@H]1CCc2c1c(F)ccc2F ZINC000358015718 328880825 /nfs/dbraw/zinc/88/08/25/328880825.db2.gz FTAMPCXKPQZEIK-ZDUSSCGKSA-N 0 3 269.360 3.461 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000538290575 327840470 /nfs/dbraw/zinc/84/04/70/327840470.db2.gz LCMAGMIQQCALMV-HOTGVXAUSA-N 0 3 293.455 3.001 20 30 CGEDHN CCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185814645 327846177 /nfs/dbraw/zinc/84/61/77/327846177.db2.gz HYZVCTOBYYJDLF-OCCSQVGLSA-N 0 3 276.355 3.396 20 30 CGEDHN COc1cc2nccc(NCC(C)(C)CC#N)c2cc1OC ZINC000413403927 328145500 /nfs/dbraw/zinc/14/55/00/328145500.db2.gz HLHHVJPWWDLDLF-UHFFFAOYSA-N 0 3 299.374 3.026 20 30 CGEDHN Cc1ccc(N2CCN(CC(C)(C)CCC#N)CC2)cc1 ZINC000273211813 328204660 /nfs/dbraw/zinc/20/46/60/328204660.db2.gz TWVQPSOGCFTFQN-UHFFFAOYSA-N 0 3 285.435 3.447 20 30 CGEDHN CC(C)(C#N)CCCCN1CCc2ccccc2[C@H]1CO ZINC000277751398 328222327 /nfs/dbraw/zinc/22/23/27/328222327.db2.gz PPTCJHQDKOXCHS-QGZVFWFLSA-N 0 3 286.419 3.298 20 30 CGEDHN CN(CCN(CCC#N)Cc1ccco1)Cc1ccccc1 ZINC000278612366 328228339 /nfs/dbraw/zinc/22/83/39/328228339.db2.gz MQHOHGHUYFELRF-UHFFFAOYSA-N 0 3 297.402 3.127 20 30 CGEDHN C[C@@H]1CSC[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000295606503 328286155 /nfs/dbraw/zinc/28/61/55/328286155.db2.gz GCDWZRZHFJNWAM-BPLDGKMQSA-N 0 3 260.406 3.373 20 30 CGEDHN CCC[C@H](C)[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000563263428 321986974 /nfs/dbraw/zinc/98/69/74/321986974.db2.gz GASWKCYGPOPZJJ-MKBNYLNASA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@H]1CCCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047878 322057085 /nfs/dbraw/zinc/05/70/85/322057085.db2.gz XUUHQUTXNUOWGX-LBPRGKRZSA-N 0 3 273.336 3.231 20 30 CGEDHN C[C@@H](C1CCCCC1)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000567887244 322181592 /nfs/dbraw/zinc/18/15/92/322181592.db2.gz FSVCRHPKYXPYPD-ZDUSSCGKSA-N 0 3 297.406 3.002 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000567994222 322187155 /nfs/dbraw/zinc/18/71/55/322187155.db2.gz HDYFJERMOOFZAX-OKILXGFUSA-N 0 3 285.347 3.088 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000570847195 322283889 /nfs/dbraw/zinc/28/38/89/322283889.db2.gz FHRGRHAWAFAVCR-CQSZACIVSA-N 0 3 275.352 3.381 20 30 CGEDHN CC1CCC(N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000572163935 322323227 /nfs/dbraw/zinc/32/32/27/322323227.db2.gz HEAARZQXHGHPQJ-UHFFFAOYSA-N 0 3 287.363 3.477 20 30 CGEDHN C=CCc1cc(CNCCSC(C)C)cc(OC)c1O ZINC000290194070 328529955 /nfs/dbraw/zinc/52/99/55/328529955.db2.gz TYDXMFHKCZVCQK-UHFFFAOYSA-N 0 3 295.448 3.361 20 30 CGEDHN C=C(CNCc1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000299355133 326930480 /nfs/dbraw/zinc/93/04/80/326930480.db2.gz SSKXOCKUOXDGJP-UHFFFAOYSA-N 0 3 269.392 3.441 20 30 CGEDHN C=CCSCCNCc1ccccc1OCC ZINC000222062243 327018501 /nfs/dbraw/zinc/01/85/01/327018501.db2.gz XRMUOHYGLWJDIY-UHFFFAOYSA-N 0 3 251.395 3.094 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000558423837 327093400 /nfs/dbraw/zinc/09/34/00/327093400.db2.gz PLUMMAMAUNYVRO-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN CCCN(CCCCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000102400183 327226863 /nfs/dbraw/zinc/22/68/63/327226863.db2.gz NPTAGXURWSXHKJ-HNNXBMFYSA-N 0 3 287.407 3.419 20 30 CGEDHN C=CCNC1(c2cccc(Br)c2)CCOCC1 ZINC000097270321 327305327 /nfs/dbraw/zinc/30/53/27/327305327.db2.gz RPMUICGNNJVKSD-UHFFFAOYSA-N 0 3 296.208 3.230 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc(Br)cc1 ZINC000459697633 331294876 /nfs/dbraw/zinc/29/48/76/331294876.db2.gz QBMSRXDONGVHMW-UHFFFAOYSA-N 0 3 281.197 3.479 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@](CO)(C(C)C)C2)c1 ZINC000378137547 329041209 /nfs/dbraw/zinc/04/12/09/329041209.db2.gz ZIODJIXLCHTFSD-SFHVURJKSA-N 0 3 289.419 3.092 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000184953756 329265893 /nfs/dbraw/zinc/26/58/93/329265893.db2.gz JVKPQEXOQNLGCA-INIZCTEOSA-N 0 3 288.435 3.227 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCCOc2ccc(F)c(F)c2)C1 ZINC000185819165 329329835 /nfs/dbraw/zinc/32/98/35/329329835.db2.gz UINVGMJTLBGVHQ-RYUDHWBXSA-N 0 3 280.318 3.016 20 30 CGEDHN C=CC[C@@H](C)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418500885 329532933 /nfs/dbraw/zinc/53/29/33/329532933.db2.gz PECRDMWCOYYJNZ-CXAGYDPISA-N 0 3 297.402 3.103 20 30 CGEDHN Cc1ccc2nccc(N[C@@H]3CC[C@H](C#N)C3)c2c1 ZINC000425274445 329654407 /nfs/dbraw/zinc/65/44/07/329654407.db2.gz RHZDXXCQFNVELM-QWHCGFSZSA-N 0 3 251.333 3.069 20 30 CGEDHN C=CC[N@@H+](CCc1ccco1)Cc1cc(OC)ccc1[O-] ZINC000272693310 330087157 /nfs/dbraw/zinc/08/71/57/330087157.db2.gz XIOUCBLRKRVOIF-UHFFFAOYSA-N 0 3 287.359 3.225 20 30 CGEDHN C=CC[N@H+](CCc1ccco1)Cc1cc(OC)ccc1[O-] ZINC000272693310 330087158 /nfs/dbraw/zinc/08/71/58/330087158.db2.gz XIOUCBLRKRVOIF-UHFFFAOYSA-N 0 3 287.359 3.225 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccncc1Cl ZINC000421860473 330097973 /nfs/dbraw/zinc/09/79/73/330097973.db2.gz TZZZUWFFFUFLMU-SRVKXCTJSA-N 0 3 263.772 3.468 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000424088631 330224323 /nfs/dbraw/zinc/22/43/23/330224323.db2.gz HFOPNNLUGMUCFR-IAGOWNOFSA-N 0 3 299.418 3.151 20 30 CGEDHN CC[C@@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433344433 330227823 /nfs/dbraw/zinc/22/78/23/330227823.db2.gz RTUHUEZPVLCKFL-ZBFHGGJFSA-N 0 3 272.392 3.263 20 30 CGEDHN C=C(C)CNCc1cc(OC)cc(C(F)(F)F)c1 ZINC000527705829 330275321 /nfs/dbraw/zinc/27/53/21/330275321.db2.gz PCNAFYFDJLGSRN-UHFFFAOYSA-N 0 3 259.271 3.380 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000424293147 330335244 /nfs/dbraw/zinc/33/52/44/330335244.db2.gz IDNNUODEZYNWRU-OBJOEFQTSA-N 0 3 292.448 3.264 20 30 CGEDHN C=CCn1cc(CN[C@@H](C)CCC2CCCCC2)nn1 ZINC000424294884 330335915 /nfs/dbraw/zinc/33/59/15/330335915.db2.gz LQEGQHGBKIIKRI-AWEZNQCLSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCn1cc(CN[C@@H](C)C[C@H](C)CC(C)C)nn1 ZINC000424296675 330336264 /nfs/dbraw/zinc/33/62/64/330336264.db2.gz PEXOJNRMHKALFR-KGLIPLIRSA-N 0 3 264.417 3.015 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCNc3ccccc32)C1 ZINC000424335499 330343319 /nfs/dbraw/zinc/34/33/19/330343319.db2.gz WUSOJLJKPGCCJI-WWGRRREGSA-N 0 3 255.365 3.215 20 30 CGEDHN C=C(CC)CN(Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000536892000 330363431 /nfs/dbraw/zinc/36/34/31/330363431.db2.gz BDXRDODAZFITEC-HNNXBMFYSA-N 0 3 275.392 3.264 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000090450994 330392471 /nfs/dbraw/zinc/39/24/71/330392471.db2.gz DCKJHEVLSQBERA-HNNXBMFYSA-N 0 3 299.418 3.424 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000090450993 330392588 /nfs/dbraw/zinc/39/25/88/330392588.db2.gz DCKJHEVLSQBERA-OAHLLOKOSA-N 0 3 299.418 3.424 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2nc(CC)sc21 ZINC000090451476 330392748 /nfs/dbraw/zinc/39/27/48/330392748.db2.gz IUGODWRGYUZZCI-GFCCVEGCSA-N 0 3 280.437 3.265 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000121096227 330396134 /nfs/dbraw/zinc/39/61/34/330396134.db2.gz BAUAJQFJHJVGOC-OAHLLOKOSA-N 0 3 274.408 3.326 20 30 CGEDHN C=CCCOCCN[C@@H]1CC(C)(C)Cc2occc21 ZINC000090883905 330396568 /nfs/dbraw/zinc/39/65/68/330396568.db2.gz ALMFCQOFYAVPBF-CQSZACIVSA-N 0 3 263.381 3.475 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)CCc1ccc(F)cc1F ZINC000515344950 330475611 /nfs/dbraw/zinc/47/56/11/330475611.db2.gz XQLMHHBGJWAVQI-WDEREUQCSA-N 0 3 252.308 3.035 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(Cl)o1 ZINC000435738407 330661568 /nfs/dbraw/zinc/66/15/68/330661568.db2.gz AGGMWPZKOVUTGG-ZWNOBZJWSA-N 0 3 255.745 3.004 20 30 CGEDHN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000448702146 330812043 /nfs/dbraw/zinc/81/20/43/330812043.db2.gz RPOHWMCPQGNOBE-KDOFPFPSSA-N 0 3 297.402 3.161 20 30 CGEDHN Cc1c(CN[C@@H]2CCC[C@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000446796072 330854350 /nfs/dbraw/zinc/85/43/50/330854350.db2.gz KDCKGFPLZSEFIA-GXTWGEPZSA-N 0 3 273.336 3.075 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2O1 ZINC000449422811 330924406 /nfs/dbraw/zinc/92/44/06/330924406.db2.gz FTEJLOWBBUPZKA-QVHKTLOISA-N 0 3 256.349 3.181 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000449518248 330933224 /nfs/dbraw/zinc/93/32/24/330933224.db2.gz IUXJAGUQKLZCJH-OLZOCXBDSA-N 0 3 253.292 3.057 20 30 CGEDHN C=CCC[C@H](CO)NCc1cnc(-c2ccsc2)s1 ZINC000449700040 330944798 /nfs/dbraw/zinc/94/47/98/330944798.db2.gz SCTWEKSQYJULMH-GFCCVEGCSA-N 0 3 294.445 3.288 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452343165 331062839 /nfs/dbraw/zinc/06/28/39/331062839.db2.gz KESSDBYCIUFDBH-DOTOQJQBSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000453330939 331117706 /nfs/dbraw/zinc/11/77/06/331117706.db2.gz BQIGPULFTQALNG-YUELXQCFSA-N 0 3 291.391 3.088 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2c1ccc(OC)c2F ZINC000453331603 331117880 /nfs/dbraw/zinc/11/78/80/331117880.db2.gz BXPBHZLBHJMDSC-ZNMIVQPWSA-N 0 3 291.366 3.145 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCSc2ccc(OC)cc21 ZINC000453379056 331125471 /nfs/dbraw/zinc/12/54/71/331125471.db2.gz YVSCMNQTEQXNCW-KFWWJZLASA-N 0 3 291.416 3.165 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](CC)c1cc(C)ccc1OC ZINC000453380293 331125487 /nfs/dbraw/zinc/12/54/87/331125487.db2.gz ZHQWOVYVNNPFBM-ZBFHGGJFSA-N 0 3 277.408 3.371 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000453451747 331132437 /nfs/dbraw/zinc/13/24/37/331132437.db2.gz RTPUGTCFGSILOD-ZFWWWQNUSA-N 0 3 289.423 3.442 20 30 CGEDHN CC(C)[C@]1(C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000458108078 331243053 /nfs/dbraw/zinc/24/30/53/331243053.db2.gz DZZXGFDVLFDVPM-JZXOWHBKSA-N 0 3 284.403 3.310 20 30 CGEDHN CN(C(=O)C(C#N)CCc1ccccc1)C1CC(C)(C)C1 ZINC000458178357 331244306 /nfs/dbraw/zinc/24/43/06/331244306.db2.gz FFQLORKVCHLFOH-OAHLLOKOSA-N 0 3 284.403 3.406 20 30 CGEDHN COc1cc(CNCC(C)(C)CC#N)ccc1SC ZINC000459683569 331294281 /nfs/dbraw/zinc/29/42/81/331294281.db2.gz CJZMOSMUWNIANM-UHFFFAOYSA-N 0 3 278.421 3.447 20 30 CGEDHN CC#CCCNCc1cc(Cl)ccc1OC(F)F ZINC000166298016 331307069 /nfs/dbraw/zinc/30/70/69/331307069.db2.gz SFCFHZSJEVCWFN-UHFFFAOYSA-N 0 3 273.710 3.444 20 30 CGEDHN CC#CCCN(C)CCOc1ccccc1Cl ZINC000462326215 331319595 /nfs/dbraw/zinc/31/95/95/331319595.db2.gz RVMUZFUYVSLFCF-UHFFFAOYSA-N 0 3 251.757 3.064 20 30 CGEDHN CCN(CC#Cc1ccc(Cl)cc1)C[C@@H](C)OC ZINC000463411629 331347200 /nfs/dbraw/zinc/34/72/00/331347200.db2.gz FFVDIMISYQTKER-CYBMUJFWSA-N 0 3 265.784 3.048 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000464649594 331364203 /nfs/dbraw/zinc/36/42/03/331364203.db2.gz VWNTWUWFYAVYDT-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000465049699 331376954 /nfs/dbraw/zinc/37/69/54/331376954.db2.gz YDBQNLOLUXBTBQ-LLVKDONJSA-N 0 3 278.783 3.185 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](CCC)C1 ZINC000466478246 331398011 /nfs/dbraw/zinc/39/80/11/331398011.db2.gz YFKXBBVUWRMTBU-HOTGVXAUSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@](C)(CC)CCC)CC1 ZINC000475642231 331640259 /nfs/dbraw/zinc/64/02/59/331640259.db2.gz LSEJRAOWTODVQR-QGZVFWFLSA-N 0 3 280.456 3.360 20 30 CGEDHN CC#CCCNCc1cn(-c2ccccc2)nc1C(C)C ZINC000482166959 331826438 /nfs/dbraw/zinc/82/64/38/331826438.db2.gz VLMANXNMOJWFSK-UHFFFAOYSA-N 0 3 281.403 3.499 20 30 CGEDHN C=C(C)COCCNCc1cccc(Cl)c1OCC ZINC000487279788 331962729 /nfs/dbraw/zinc/96/27/29/331962729.db2.gz OTRHITTXMWNRFC-UHFFFAOYSA-N 0 3 283.799 3.421 20 30 CGEDHN C#C[C@@H](NCc1ccc(F)c2cccnc12)C(C)C ZINC000491352133 332195750 /nfs/dbraw/zinc/19/57/50/332195750.db2.gz XSJQPIMTQICIND-OAHLLOKOSA-N 0 3 256.324 3.121 20 30 CGEDHN C#C[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000491386213 332202279 /nfs/dbraw/zinc/20/22/79/332202279.db2.gz UNFKJJJKNODNCT-BJJXKVORSA-N 0 3 277.795 3.419 20 30 CGEDHN C#C[C@H](NC1CCSCC1)c1ccc(Cl)cc1 ZINC000491706167 332299099 /nfs/dbraw/zinc/29/90/99/332299099.db2.gz JWTDAGIBLOAVSG-AWEZNQCLSA-N 0 3 265.809 3.500 20 30 CGEDHN COc1cc(CNCC2=CCCCC2)ccc1C#N ZINC000379878080 335108018 /nfs/dbraw/zinc/10/80/18/335108018.db2.gz TTWQNBOYDNMRKA-UHFFFAOYSA-N 0 3 256.349 3.157 20 30 CGEDHN C=C(C)CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249734736 334339660 /nfs/dbraw/zinc/33/96/60/334339660.db2.gz DNRJQCUTOGSFLA-KGLIPLIRSA-N 0 3 286.202 3.459 20 30 CGEDHN CC#CCCNCc1cc(C)c(C)cc1OC(F)F ZINC000499212354 332582711 /nfs/dbraw/zinc/58/27/11/332582711.db2.gz KVLUHMTZCWAVHN-UHFFFAOYSA-N 0 3 267.319 3.408 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000305819151 333000037 /nfs/dbraw/zinc/00/00/37/333000037.db2.gz PREGOAPVGWQXNN-XJKSGUPXSA-N 0 3 297.826 3.286 20 30 CGEDHN C=CCCCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000175096690 333014748 /nfs/dbraw/zinc/01/47/48/333014748.db2.gz MEODPDIHXWGCLO-QGZVFWFLSA-N 0 3 288.435 3.324 20 30 CGEDHN CCO[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)C1(CC)CC ZINC000178666377 333076471 /nfs/dbraw/zinc/07/64/71/333076471.db2.gz MFEXUBDDHGYCBH-RRFJBIMHSA-N 0 3 277.412 3.003 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000185295494 333138329 /nfs/dbraw/zinc/13/83/29/333138329.db2.gz NYTXHXKQIMWWRW-NVXWUHKLSA-N 0 3 288.435 3.316 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCSc2ccc(OC)cc21 ZINC000191534586 333221016 /nfs/dbraw/zinc/22/10/16/333221016.db2.gz CNWULJLQCJKBJF-OAHLLOKOSA-N 0 3 293.432 3.414 20 30 CGEDHN CCC(CC)N(CC#Cc1ccccc1)CCOC ZINC000191989930 333227911 /nfs/dbraw/zinc/22/79/11/333227911.db2.gz FHDIAYDRBCGUJM-UHFFFAOYSA-N 0 3 259.393 3.175 20 30 CGEDHN C=C[C@@H](C)NCc1cc(F)cc(Br)c1 ZINC000229202796 333301739 /nfs/dbraw/zinc/30/17/39/333301739.db2.gz GQLPLGPPWHAVQP-MRVPVSSYSA-N 0 3 258.134 3.252 20 30 CGEDHN N#Cc1ccc(CNCCc2cccc(Cl)c2)o1 ZINC000174243396 335151214 /nfs/dbraw/zinc/15/12/14/335151214.db2.gz RMVYQUUCDBEMKQ-UHFFFAOYSA-N 0 3 260.724 3.137 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccccc1OC(C)C ZINC000539226342 333662372 /nfs/dbraw/zinc/66/23/72/333662372.db2.gz SQLQHHRRDFEPIQ-LSDHHAIUSA-N 0 3 277.408 3.452 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2ccc(F)cn2)CC1 ZINC000539318420 333665664 /nfs/dbraw/zinc/66/56/64/333665664.db2.gz BDNFHTOAFASAIZ-CQSZACIVSA-N 0 3 277.387 3.088 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000542826812 333843240 /nfs/dbraw/zinc/84/32/40/333843240.db2.gz GUVZEVLCYQSZIE-LBPRGKRZSA-N 0 3 280.393 3.473 20 30 CGEDHN Cc1cc(C)cc(CN(C)Cc2cc(C#N)n(C)c2)c1 ZINC000576187748 335166883 /nfs/dbraw/zinc/16/68/83/335166883.db2.gz ZIPMDHKIQHMCRO-UHFFFAOYSA-N 0 3 267.376 3.146 20 30 CGEDHN CCOC1CC(NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000543994762 333909045 /nfs/dbraw/zinc/90/90/45/333909045.db2.gz XMTIHCRPGXMCKC-UHFFFAOYSA-N 0 3 297.320 3.214 20 30 CGEDHN C[C@@]1(NCC#Cc2ccccc2Cl)CCO[C@H]1C1CC1 ZINC000544179605 333919905 /nfs/dbraw/zinc/91/99/05/333919905.db2.gz UNTDSEQGCQTUIF-DLBZAZTESA-N 0 3 289.806 3.239 20 30 CGEDHN C=CCC[C@@H](C)N[C@H](COC)c1ccc(F)cc1 ZINC000544575017 333936998 /nfs/dbraw/zinc/93/69/98/333936998.db2.gz PJBWZSBJINYMST-IUODEOHRSA-N 0 3 251.345 3.458 20 30 CGEDHN C=CC[C@H](CC)NCc1ccc([N+](=O)[O-])cc1F ZINC000341441750 335169464 /nfs/dbraw/zinc/16/94/64/335169464.db2.gz ULKFCJJHQOOILU-NSHDSACASA-N 0 3 252.289 3.178 20 30 CGEDHN N#Cc1ccc(OCCN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000175015675 335171172 /nfs/dbraw/zinc/17/11/72/335171172.db2.gz KEZRYZZRCWPFGU-GOSISDBHSA-N 0 3 296.345 3.353 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)[C@@H](CO)C(C)(C)C ZINC000134435297 334090427 /nfs/dbraw/zinc/09/04/27/334090427.db2.gz YDIUPXGOOQYKQM-HNNXBMFYSA-N 0 3 279.811 3.030 20 30 CGEDHN C=C(C)COCCNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000134507048 334092522 /nfs/dbraw/zinc/09/25/22/334092522.db2.gz UDSZQGBOFHZMNH-UHFFFAOYSA-N 0 3 285.391 3.067 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)CCC1CCOCC1 ZINC000135145671 334117785 /nfs/dbraw/zinc/11/77/85/334117785.db2.gz VJNKOMKOGKDRDD-UHFFFAOYSA-N 0 3 291.822 3.440 20 30 CGEDHN CC[C@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000246280402 334248384 /nfs/dbraw/zinc/24/83/84/334248384.db2.gz SWBKGBPFKBMPIA-CVEARBPZSA-N 0 3 299.418 3.054 20 30 CGEDHN C=CCCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000556092505 334495078 /nfs/dbraw/zinc/49/50/78/334495078.db2.gz XNEBGOKEZTWUFE-UHFFFAOYSA-N 0 3 264.325 3.049 20 30 CGEDHN N#CCC[C@@H](C#N)CNCCCSc1ccccc1 ZINC000564845129 334523652 /nfs/dbraw/zinc/52/36/52/334523652.db2.gz VGDCUXODKAKFDX-AWEZNQCLSA-N 0 3 273.405 3.202 20 30 CGEDHN Cc1cccc(OCCN2CCC(CCC#N)CC2)c1 ZINC000567791263 334761460 /nfs/dbraw/zinc/76/14/60/334761460.db2.gz LRGVJOWYSXZWTK-UHFFFAOYSA-N 0 3 272.392 3.390 20 30 CGEDHN COc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1 ZINC000342721653 335186207 /nfs/dbraw/zinc/18/62/07/335186207.db2.gz ACCDJLAKCMFLOA-UHFFFAOYSA-N 0 3 280.371 3.393 20 30 CGEDHN C=CCCCCN1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000577340324 335340512 /nfs/dbraw/zinc/34/05/12/335340512.db2.gz YPSVWHUWRYGLEV-CVEARBPZSA-N 0 3 266.429 3.064 20 30 CGEDHN CCc1ccc([C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000577520768 335364115 /nfs/dbraw/zinc/36/41/15/335364115.db2.gz TXCSANLDLBNTSI-SFHVURJKSA-N 0 3 293.414 3.449 20 30 CGEDHN N#Cc1csc(CNCCOc2cccc(Cl)c2)c1 ZINC000177688552 335379093 /nfs/dbraw/zinc/37/90/93/335379093.db2.gz CTJXQGUPNCFKFF-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN N#Cc1csc(CNCCCOc2ccc(F)cc2)c1 ZINC000177692859 335379470 /nfs/dbraw/zinc/37/94/70/335379470.db2.gz BSOANZMJPYAPFK-UHFFFAOYSA-N 0 3 290.363 3.318 20 30 CGEDHN Cc1ccc(O[C@@H](C)CNCc2cc(C#N)cs2)cc1 ZINC000177707207 335380519 /nfs/dbraw/zinc/38/05/19/335380519.db2.gz RKTKTIXMNSSANQ-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN Cc1ccnc([C@H]2CCN(Cc3ccc(C#N)s3)C2)c1 ZINC000577743612 335395820 /nfs/dbraw/zinc/39/58/20/335395820.db2.gz VFUABPCWQUEEKT-ZDUSSCGKSA-N 0 3 283.400 3.313 20 30 CGEDHN C=CC1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000180207683 335560091 /nfs/dbraw/zinc/56/00/91/335560091.db2.gz MTHIRGRWATUBDA-UHFFFAOYSA-N 0 3 281.403 3.485 20 30 CGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCCC#N ZINC000185636927 335954581 /nfs/dbraw/zinc/95/45/81/335954581.db2.gz HVJQXLORGGLFKP-VIFPVBQESA-N 0 3 288.317 3.017 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](OC)[C@H](C)CC ZINC000381398119 336061330 /nfs/dbraw/zinc/06/13/30/336061330.db2.gz PBOCGCPVVKHHIZ-PBHICJAKSA-N 0 3 277.408 3.402 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000383628002 336115925 /nfs/dbraw/zinc/11/59/25/336115925.db2.gz XMUNMULODHQHJS-NSHDSACASA-N 0 3 289.297 3.438 20 30 CGEDHN COc1cccc([C@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000177378138 533774612 /nfs/dbraw/zinc/77/46/12/533774612.db2.gz GRFUOOVTDJKSEV-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc2n[nH]cc2c1 ZINC000353183223 533918380 /nfs/dbraw/zinc/91/83/80/533918380.db2.gz PEGYXLGVDMBXJR-ZDUSSCGKSA-N 0 3 290.370 3.480 20 30 CGEDHN C#CCCOc1ccc(CN2CCC(CF)CC2)cc1 ZINC000295019522 517302452 /nfs/dbraw/zinc/30/24/52/517302452.db2.gz KKUIPORLBCOXJK-UHFFFAOYSA-N 0 3 275.367 3.270 20 30 CGEDHN Cc1n[nH]cc1CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358436764 534853393 /nfs/dbraw/zinc/85/33/93/534853393.db2.gz SSFITNLBTIJCEE-LBPRGKRZSA-N 0 3 286.354 3.012 20 30 CGEDHN C[C@H](c1ccco1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000069070389 526145552 /nfs/dbraw/zinc/14/55/52/526145552.db2.gz YEVMYMYSSNPISH-CYBMUJFWSA-N 0 3 297.358 3.173 20 30 CGEDHN CC(C)(C)OC(=O)C1CCN(CC(C)(C)CCC#N)CC1 ZINC000353438568 526342686 /nfs/dbraw/zinc/34/26/86/526342686.db2.gz UQILJTXTGKVJFF-UHFFFAOYSA-N 0 3 294.439 3.370 20 30 CGEDHN C=CCN(Cc1cnn(CCOC)c1)CC1CCCCC1 ZINC000353559474 526380347 /nfs/dbraw/zinc/38/03/47/526380347.db2.gz FLPISEJNGDWBIS-UHFFFAOYSA-N 0 3 291.439 3.098 20 30 CGEDHN C=C(C)CN(CCCCCF)Cc1ccc(CO)o1 ZINC000352865642 526551162 /nfs/dbraw/zinc/55/11/62/526551162.db2.gz DIGKGZJBXYBQCU-UHFFFAOYSA-N 0 3 269.360 3.290 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000337275956 526624504 /nfs/dbraw/zinc/62/45/04/526624504.db2.gz GEVBLSZLYGHSDM-ZIAGYGMSSA-N 0 3 280.318 3.198 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000294604379 526944290 /nfs/dbraw/zinc/94/42/90/526944290.db2.gz VHGWIRGEDFOVFK-AWEZNQCLSA-N 0 3 294.464 3.459 20 30 CGEDHN C#CCOc1ccc(CNCc2ccccc2COC)cc1 ZINC000113317639 527105070 /nfs/dbraw/zinc/10/50/70/527105070.db2.gz DUGIJWPGVBDYRX-UHFFFAOYSA-N 0 3 295.382 3.135 20 30 CGEDHN C=C[C@H](CO)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000353581103 527595538 /nfs/dbraw/zinc/59/55/38/527595538.db2.gz YLDDTCLGFOPIJU-WBVHZDCISA-N 0 3 259.393 3.324 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@H]1CCc2ccccc21 ZINC000347045575 527777342 /nfs/dbraw/zinc/77/73/42/527777342.db2.gz ZWMFUYCUYJPMMB-DOMZBBRYSA-N 0 3 256.349 3.072 20 30 CGEDHN CCN(CCC1CC1)Cc1ccc(C#N)cc1OC ZINC000355061287 528424429 /nfs/dbraw/zinc/42/44/29/528424429.db2.gz IXFLOOHEERODIX-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CC(C)[C@H](Cc1ccc(F)cc1)NCC1(C#N)CC1 ZINC000347784476 529030804 /nfs/dbraw/zinc/03/08/04/529030804.db2.gz AIIHTPVRVFVGGZ-HNNXBMFYSA-N 0 3 260.356 3.286 20 30 CGEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)[C@H]1[C@@H]1CCCO1 ZINC000351968537 529124057 /nfs/dbraw/zinc/12/40/57/529124057.db2.gz QZLWBVPKJSHDFY-IRXDYDNUSA-N 0 3 284.403 3.142 20 30 CGEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Cl)[C@H]2CCO[C@H]21 ZINC000451460811 535072907 /nfs/dbraw/zinc/07/29/07/535072907.db2.gz AESSJKKXOHGCAO-BPLDGKMQSA-N 0 3 290.794 3.115 20 30 CGEDHN CCCCCCCN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000740877326 571890943 /nfs/dbraw/zinc/89/09/43/571890943.db2.gz AZRVNIDLSUITDM-NWDGAFQWSA-N 0 3 267.335 3.344 20 30 CGEDHN CO[C@H](C)CC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421880 572352419 /nfs/dbraw/zinc/35/24/19/572352419.db2.gz RADWTRCRKLYWJV-PSASIEDQSA-N 0 3 292.335 3.037 20 30 CGEDHN CCCCCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC000725803309 572409585 /nfs/dbraw/zinc/40/95/85/572409585.db2.gz GTCXWIPLRAOUIS-OAHLLOKOSA-N 0 3 268.445 3.195 20 30 CGEDHN C#CCSCCNCc1ccccc1OC1CCCC1 ZINC000740017827 572428970 /nfs/dbraw/zinc/42/89/70/572428970.db2.gz CGXMLKUTGLHRLU-UHFFFAOYSA-N 0 3 289.444 3.464 20 30 CGEDHN C(=Nn1cnnc1-c1ccccc1)[C@@H]1CC=CCC1 ZINC000725856357 572447675 /nfs/dbraw/zinc/44/76/75/572447675.db2.gz JDYRYQWWRKDOKO-CYBMUJFWSA-N 0 3 252.321 3.135 20 30 CGEDHN CCCCCCCCN[C@@](C)(C(N)=O)c1ccccc1 ZINC000740876596 572464613 /nfs/dbraw/zinc/46/46/13/572464613.db2.gz VDIIBIFXJSPQLV-QGZVFWFLSA-N 0 3 276.424 3.337 20 30 CGEDHN C[C@@H]1C[C@H](C)CN1Cc1cc(Cl)ccc1OCC#N ZINC000740885074 572466784 /nfs/dbraw/zinc/46/67/84/572466784.db2.gz YNVIKOZVOUPLNO-NWDGAFQWSA-N 0 3 278.783 3.473 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3CCC3)nc21 ZINC000744160678 572716017 /nfs/dbraw/zinc/71/60/17/572716017.db2.gz ONDJHHDTRWTPDN-GFCCVEGCSA-N 0 3 267.332 3.238 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC3CCC3)[nH]c21 ZINC000744160678 572716020 /nfs/dbraw/zinc/71/60/20/572716020.db2.gz ONDJHHDTRWTPDN-GFCCVEGCSA-N 0 3 267.332 3.238 20 30 CGEDHN C#CCN(CC)Cc1ccc(OCC(F)(F)F)cc1 ZINC000746457759 572871976 /nfs/dbraw/zinc/87/19/76/572871976.db2.gz PJIXQLMTWPZAAM-UHFFFAOYSA-N 0 3 271.282 3.083 20 30 CGEDHN FC(F)CNN=C1CCCC[C@@H]1N1CCCCCC1 ZINC000749814932 573041343 /nfs/dbraw/zinc/04/13/43/573041343.db2.gz UDJYRUYOUXQGQB-ZDUSSCGKSA-N 0 3 273.371 3.016 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894038 608487826 /nfs/dbraw/zinc/48/78/26/608487826.db2.gz FTUFYTRTEPOUPR-CHWSQXEVSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894038 608487827 /nfs/dbraw/zinc/48/78/27/608487827.db2.gz FTUFYTRTEPOUPR-CHWSQXEVSA-N 0 3 285.395 3.262 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000970772523 613298924 /nfs/dbraw/zinc/29/89/24/613298924.db2.gz XDDLYSFTTMQBMI-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000969735526 613298968 /nfs/dbraw/zinc/29/89/68/613298968.db2.gz VENFLLNBSIBYAZ-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968659464 613323917 /nfs/dbraw/zinc/32/39/17/613323917.db2.gz GDBGMLDKBPBWOU-WBVHZDCISA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974562505 613338652 /nfs/dbraw/zinc/33/86/52/613338652.db2.gz QZZVTNPHJRKJPX-CQSZACIVSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451409 613496578 /nfs/dbraw/zinc/49/65/78/613496578.db2.gz SDTCIAYQFNUFDS-FUHWJXTLSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2ccsc2Cl)CC1 ZINC000982088945 613497972 /nfs/dbraw/zinc/49/79/72/613497972.db2.gz RFYVMMWWOSKOFX-UHFFFAOYSA-N 0 3 298.839 3.126 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC2(C)C)cc1 ZINC000975060691 613514345 /nfs/dbraw/zinc/51/43/45/613514345.db2.gz AIEHPZARHHTVPU-QGZVFWFLSA-N 0 3 298.430 3.346 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(C)csc2Cl)C1 ZINC000980274004 613618477 /nfs/dbraw/zinc/61/84/77/613618477.db2.gz FZHLCMCBZNAYAK-LLVKDONJSA-N 0 3 298.839 3.042 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C)ccc2C2CC2)C1 ZINC000972005522 613619765 /nfs/dbraw/zinc/61/97/65/613619765.db2.gz MPKGRJSSZXURLG-MRXNPFEDSA-N 0 3 298.430 3.205 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC000968751297 613686915 /nfs/dbraw/zinc/68/69/15/613686915.db2.gz ZWTKSBONORIOTN-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000941145099 613741213 /nfs/dbraw/zinc/74/12/13/613741213.db2.gz KRRDAESCSBSLSU-CQSZACIVSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)C[C@H]1C ZINC000948001724 613750640 /nfs/dbraw/zinc/75/06/40/613750640.db2.gz DVKZGPYYRBXOLZ-UKRRQHHQSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000940632547 613780925 /nfs/dbraw/zinc/78/09/25/613780925.db2.gz KRSGWOWRFSYIKB-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3occc3c2)C[C@H]1C ZINC000947334759 613791373 /nfs/dbraw/zinc/79/13/73/613791373.db2.gz RRMQTXNUINXJOF-CJNGLKHVSA-N 0 3 298.386 3.202 20 30 CGEDHN COC(C)(C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000932368440 617687970 /nfs/dbraw/zinc/68/79/70/617687970.db2.gz DZROHMJRHZYRNZ-GFCCVEGCSA-N 0 3 265.784 3.095 20 30 CGEDHN C=C1CCC(CNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000926166872 618224009 /nfs/dbraw/zinc/22/40/09/618224009.db2.gz ZODRQXGCRUNSEQ-UHFFFAOYSA-N 0 3 285.391 3.158 20 30 CGEDHN CS[C@H]1CCCCN(Cc2csc(C#N)c2)C1 ZINC000892231761 618608854 /nfs/dbraw/zinc/60/88/54/618608854.db2.gz FARUPRDWVWVUFD-LBPRGKRZSA-N 0 3 266.435 3.337 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cnc2c(cnn2C(C)C)c1 ZINC000934468516 618626788 /nfs/dbraw/zinc/62/67/88/618626788.db2.gz FXURZDFYMXPBTP-HNNXBMFYSA-N 0 3 270.380 3.163 20 30 CGEDHN C#CCN[C@H]1c2cccc(Br)c2CC1(C)C ZINC000309821506 618770268 /nfs/dbraw/zinc/77/02/68/618770268.db2.gz WLJOPFIPLUQECW-ZDUSSCGKSA-N 0 3 278.193 3.295 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccnn1CC1CCC1 ZINC000926614361 618775210 /nfs/dbraw/zinc/77/52/10/618775210.db2.gz JIHVBBVIHMYNFG-VHDGCEQUSA-N 0 3 272.396 3.026 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1ccco1 ZINC000255829988 618795169 /nfs/dbraw/zinc/79/51/69/618795169.db2.gz GDGJJOKQVVSWEA-LJTDUEICSA-N 0 3 291.310 3.056 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=Cc1ccco1 ZINC000255829988 618795171 /nfs/dbraw/zinc/79/51/71/618795171.db2.gz GDGJJOKQVVSWEA-LJTDUEICSA-N 0 3 291.310 3.056 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@H]1c1cccn1C ZINC000179707937 618799337 /nfs/dbraw/zinc/79/93/37/618799337.db2.gz BQAGAOHGELPZQB-SFHVURJKSA-N 0 3 294.398 3.374 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CN(C)Cc2ccccc21 ZINC000925634937 619099449 /nfs/dbraw/zinc/09/94/49/619099449.db2.gz NAPUIXIFHWCRCD-XJKSGUPXSA-N 0 3 271.408 3.091 20 30 CGEDHN COc1ccc(O)c(/C=N/C[C@H](c2ccccc2)N(C)C)c1 ZINC000072658207 625327096 /nfs/dbraw/zinc/32/70/96/625327096.db2.gz DQQNZGDBWRVEEX-MIQLPHMESA-N 0 3 298.386 3.123 20 30 CGEDHN CN(CCCCC1(C#N)CCC1)[C@@H]1CCC[C@H]1C#N ZINC000931473872 619179093 /nfs/dbraw/zinc/17/90/93/619179093.db2.gz BXHORUBICIUMHI-LSDHHAIUSA-N 0 3 259.397 3.475 20 30 CGEDHN Cc1nc(CN)ccc1[C@@H](C)Nc1ccc(CCC#N)cc1 ZINC000925823415 619269227 /nfs/dbraw/zinc/26/92/27/619269227.db2.gz RVNVQTQPDNVRFY-CYBMUJFWSA-N 0 3 294.402 3.478 20 30 CGEDHN N#CC1CCC(C[NH2+]Cc2cc([O-])cc(Cl)c2)CC1 ZINC000894246094 619440133 /nfs/dbraw/zinc/44/01/33/619440133.db2.gz JCUVRFZLFOJIAR-UHFFFAOYSA-N 0 3 278.783 3.465 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1csc(C#N)c1 ZINC000894495986 619555035 /nfs/dbraw/zinc/55/50/35/619555035.db2.gz NYDWVANABVAEJH-LLVKDONJSA-N 0 3 254.424 3.193 20 30 CGEDHN C#CCCCN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183687615 619725446 /nfs/dbraw/zinc/72/54/46/619725446.db2.gz WIAHPWHFXSNOHK-QGZVFWFLSA-N 0 3 268.335 3.313 20 30 CGEDHN C#CC1(O)CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000895380966 619817245 /nfs/dbraw/zinc/81/72/45/619817245.db2.gz UMGDHKJXEAJHQD-UHFFFAOYSA-N 0 3 299.345 3.046 20 30 CGEDHN C#CCCOc1ccc(CN2CCC(F)CC2)cc1 ZINC000895548688 619844454 /nfs/dbraw/zinc/84/44/54/619844454.db2.gz ASDJPDFYBYVWNU-UHFFFAOYSA-N 0 3 261.340 3.023 20 30 CGEDHN C[C@H](c1ccccc1)N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000895551272 619848199 /nfs/dbraw/zinc/84/81/99/619848199.db2.gz HRZGWCDQXUHJKK-DLBZAZTESA-N 0 3 285.435 3.305 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1ccsc1C(F)(F)F ZINC000895713696 619874241 /nfs/dbraw/zinc/87/42/41/619874241.db2.gz SDNRXADRRKSMNF-SNVBAGLBSA-N 0 3 279.327 3.184 20 30 CGEDHN Cc1cc(CN(C)CCc2cccc(C#N)c2)cnc1F ZINC000895785047 619885307 /nfs/dbraw/zinc/88/53/07/619885307.db2.gz BOFWBMNGBICLLN-UHFFFAOYSA-N 0 3 283.350 3.075 20 30 CGEDHN CC[C@@H](NCC#Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000895949376 619915275 /nfs/dbraw/zinc/91/52/75/619915275.db2.gz WDLKCAUHDLIYJW-MOPGFXCFSA-N 0 3 279.383 3.140 20 30 CGEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)C1CC1 ZINC000897436857 620328829 /nfs/dbraw/zinc/32/88/29/620328829.db2.gz DGAUMJGANRZBHN-UHFFFAOYSA-N 0 3 263.772 3.132 20 30 CGEDHN CC[C@H](C)C[C@H](CC)NCc1nc(C#N)cs1 ZINC000897629631 620414554 /nfs/dbraw/zinc/41/45/54/620414554.db2.gz WLGWFJPEQWZJJQ-QWRGUYRKSA-N 0 3 251.399 3.319 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)C3CCCCCC3)CCC[C@@H]12 ZINC000990030858 620535037 /nfs/dbraw/zinc/53/50/37/620535037.db2.gz MIPYFEYVMMKFPE-AEFFLSMTSA-N 0 3 290.451 3.256 20 30 CGEDHN C=C(Br)CN[C@H](C)[C@H]1COc2ccccc2C1 ZINC000902792867 621449466 /nfs/dbraw/zinc/44/94/66/621449466.db2.gz DUHRZWTVOPQJFI-DGCLKSJQSA-N 0 3 296.208 3.124 20 30 CGEDHN C=CCC[C@@H](NCC(C)(C)C#N)[C@@]1(C)CCCCO1 ZINC000903101662 621574330 /nfs/dbraw/zinc/57/43/30/621574330.db2.gz KOBKKYPBJRAORW-GDBMZVCRSA-N 0 3 264.413 3.420 20 30 CGEDHN C=CCC[C@@H](NCC1(C#N)CC1)[C@@]1(C)CCCCO1 ZINC000903109600 621583171 /nfs/dbraw/zinc/58/31/71/621583171.db2.gz SFYUDYGKSLTTCX-HUUCEWRRSA-N 0 3 262.397 3.174 20 30 CGEDHN CO[C@H]1CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000903127451 621590285 /nfs/dbraw/zinc/59/02/85/621590285.db2.gz YDBHVLRYEMKEOX-CABCVRRESA-N 0 3 297.320 3.214 20 30 CGEDHN COC1(CN[C@@H](C)c2cc(C#N)ccn2)CCCCCC1 ZINC000903418651 621737149 /nfs/dbraw/zinc/73/71/49/621737149.db2.gz MVCQEUPRBXHFQG-AWEZNQCLSA-N 0 3 287.407 3.343 20 30 CGEDHN C=CCCC[C@H](N)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000904613477 621946126 /nfs/dbraw/zinc/94/61/26/621946126.db2.gz VAJZPSMGMKRISZ-LBPRGKRZSA-N 0 3 297.362 3.277 20 30 CGEDHN CC1/C(=C/c2cccc(CC3CCC3)c2)C(=O)c2ncnn21 ZINC000905087089 622033945 /nfs/dbraw/zinc/03/39/45/622033945.db2.gz VMHWYEYMCVYCAW-YUSFRKCESA-N 0 3 293.370 3.462 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1OCCC ZINC000912030176 622586709 /nfs/dbraw/zinc/58/67/09/622586709.db2.gz WBDVULQBQQWSMN-ZDUSSCGKSA-N 0 3 276.380 3.098 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)c1ccc(C)cc1 ZINC000912256536 622620762 /nfs/dbraw/zinc/62/07/62/622620762.db2.gz XWGGCBQAKKJERS-HNNXBMFYSA-N 0 3 260.381 3.032 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccccn2)c([O-])c1 ZINC000060802582 623070897 /nfs/dbraw/zinc/07/08/97/623070897.db2.gz DDIFKJKTIPMOHZ-LDADJPATSA-N 0 3 283.375 3.253 20 30 CGEDHN C#CCNC1(c2cccc(Br)c2)CCC1 ZINC000170779491 623098692 /nfs/dbraw/zinc/09/86/92/623098692.db2.gz YBZHXJYJMYAJHP-UHFFFAOYSA-N 0 3 264.166 3.051 20 30 CGEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000173953195 623350670 /nfs/dbraw/zinc/35/06/70/623350670.db2.gz WPFPTVVBVBEOEG-GWCFXTLKSA-N 0 3 292.766 3.424 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCC3(C)C)CCC[C@H]12 ZINC000992120954 623441102 /nfs/dbraw/zinc/44/11/02/623441102.db2.gz VJNDZNBMUFDBLB-RVKKMQEKSA-N 0 3 290.451 3.112 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2CO)cc1 ZINC000151786215 623567349 /nfs/dbraw/zinc/56/73/49/623567349.db2.gz OCMIYGOBKICZHO-OAHLLOKOSA-N 0 3 295.382 3.042 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993307632 624004980 /nfs/dbraw/zinc/00/49/80/624004980.db2.gz HACJVWSAZSAYBT-ZIAGYGMSSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993637828 624055621 /nfs/dbraw/zinc/05/56/21/624055621.db2.gz VCYYBKRJCYKMON-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN CCCNN=C(C)c1ccc(N2CCCCC2)cc1 ZINC000915965818 624094021 /nfs/dbraw/zinc/09/40/21/624094021.db2.gz PMDQSXIMDZMVBC-UHFFFAOYSA-N 0 3 259.397 3.401 20 30 CGEDHN C=CC[C@@H](C)N[C@H]1COCc2cccc(Cl)c21 ZINC000925430278 624202719 /nfs/dbraw/zinc/20/27/19/624202719.db2.gz LINHPXDCDLAHKF-MFKMUULPSA-N 0 3 251.757 3.466 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccsc2)cc1 ZINC000237703388 624674723 /nfs/dbraw/zinc/67/47/23/624674723.db2.gz QALZFEIARFUWIY-LBPRGKRZSA-N 0 3 272.373 3.329 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000179707662 624678379 /nfs/dbraw/zinc/67/83/79/624678379.db2.gz NEVASKMFHVWTHY-LJQANCHMSA-N 0 3 294.398 3.374 20 30 CGEDHN Cc1ccc(F)cc1CNCc1ccc(OCC#N)cc1 ZINC000180173747 624724589 /nfs/dbraw/zinc/72/45/89/624724589.db2.gz WXIMVQQPSRLHSH-UHFFFAOYSA-N 0 3 284.334 3.326 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC000998980882 625823953 /nfs/dbraw/zinc/82/39/53/625823953.db2.gz PCDNHSOCPIVERQ-WLYUNCDWSA-N 0 3 296.842 3.064 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001001325967 625895178 /nfs/dbraw/zinc/89/51/78/625895178.db2.gz LJPIGUJWGHHXKP-IRXDYDNUSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CNC(=O)c2cccc(C(C)C)c2)CC1 ZINC001001337393 625895263 /nfs/dbraw/zinc/89/52/63/625895263.db2.gz FGLWJHWHMNRMMP-UHFFFAOYSA-N 0 3 298.430 3.358 20 30 CGEDHN CC[C@H](COCC(F)(F)F)NCc1csc(C#N)c1 ZINC000922154706 625973886 /nfs/dbraw/zinc/97/38/86/625973886.db2.gz NOTAFHLGIUZMEF-SNVBAGLBSA-N 0 3 292.326 3.067 20 30 CGEDHN N#Cc1cc(CNCCSCCC(F)(F)F)cs1 ZINC000922315907 625996658 /nfs/dbraw/zinc/99/66/58/625996658.db2.gz PRZRDQWEYSPQEL-UHFFFAOYSA-N 0 3 294.367 3.395 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2sc(C)cc2C)CC1 ZINC001005456682 626090646 /nfs/dbraw/zinc/09/06/46/626090646.db2.gz JLDACJFMEUDWRS-UHFFFAOYSA-N 0 3 292.448 3.087 20 30 CGEDHN CCC1(C)CN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000839142493 626323018 /nfs/dbraw/zinc/32/30/18/626323018.db2.gz HPSGIBCCXKYLDK-ZDUSSCGKSA-N 0 3 258.365 3.209 20 30 CGEDHN C[C@@H](CCc1ccc(OC(F)F)cc1)NCCC#N ZINC000020199747 634504654 /nfs/dbraw/zinc/50/46/54/634504654.db2.gz DRSDYYOEJVSGHR-NSHDSACASA-N 0 3 268.307 3.112 20 30 CGEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CCCC1 ZINC000754011310 626472071 /nfs/dbraw/zinc/47/20/71/626472071.db2.gz WIUALUOBFYUWNF-OAHLLOKOSA-N 0 3 294.354 3.370 20 30 CGEDHN CC(C)N1CC(N=Nc2cccc(F)c2F)[C@H](C)C1 ZINC000754258436 626565142 /nfs/dbraw/zinc/56/51/42/626565142.db2.gz IVGJYUGMXNLYGG-SNVBAGLBSA-N 0 3 267.323 3.093 20 30 CGEDHN CCCCCCCCNC(=O)N1CCCN(CC)CC1 ZINC000755078649 626599888 /nfs/dbraw/zinc/59/98/88/626599888.db2.gz PRGQLEZYRKTDFT-UHFFFAOYSA-N 0 3 283.460 3.084 20 30 CGEDHN Cc1ccc(C)c(N=NC2CN(C3CC3)C[C@H]2C)c1 ZINC000755884926 626656385 /nfs/dbraw/zinc/65/63/85/626656385.db2.gz AJNLMQBLXPXHLL-CYBMUJFWSA-N 0 3 257.381 3.185 20 30 CGEDHN C#C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(C)C ZINC000839752428 626785119 /nfs/dbraw/zinc/78/51/19/626785119.db2.gz DMPMNUSSQOFICH-SFHVURJKSA-N 0 3 298.430 3.060 20 30 CGEDHN C#CCN(Cc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000757776328 626807858 /nfs/dbraw/zinc/80/78/58/626807858.db2.gz CWJGECHRHOQJQU-UHFFFAOYSA-N 0 3 272.348 3.281 20 30 CGEDHN C#CCCCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000760239746 626946893 /nfs/dbraw/zinc/94/68/93/626946893.db2.gz LBONPVRSTBARGP-SFHVURJKSA-N 0 3 298.430 3.133 20 30 CGEDHN CN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCSC1 ZINC000760886199 627000293 /nfs/dbraw/zinc/00/02/93/627000293.db2.gz MLWDGZSQYWSSTA-CYBMUJFWSA-N 0 3 296.823 3.180 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(COCC)c1)C(C)(C)C ZINC000809780912 627066683 /nfs/dbraw/zinc/06/66/83/627066683.db2.gz AGHQHBQLOXCTPE-KRWDZBQOSA-N 0 3 289.419 3.369 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)COC2 ZINC000765015101 627236590 /nfs/dbraw/zinc/23/65/90/627236590.db2.gz OTHXZGBJFMKWQP-ZDUSSCGKSA-N 0 3 278.355 3.439 20 30 CGEDHN C=CC1CCN(Cc2cccc3nsnc32)CC1 ZINC000766070968 627292906 /nfs/dbraw/zinc/29/29/06/627292906.db2.gz SGMYVRUYVOOWJK-UHFFFAOYSA-N 0 3 259.378 3.089 20 30 CGEDHN C#CCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000766901037 627368215 /nfs/dbraw/zinc/36/82/15/627368215.db2.gz JEOPUPVIOPJKEC-BFYDXBDKSA-N 0 3 257.377 3.250 20 30 CGEDHN C#CCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000766901039 627368382 /nfs/dbraw/zinc/36/83/82/627368382.db2.gz JEOPUPVIOPJKEC-INMHGKMJSA-N 0 3 257.377 3.250 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000767991449 627448620 /nfs/dbraw/zinc/44/86/20/627448620.db2.gz VQRRBKDFRMPIOO-WBVHZDCISA-N 0 3 287.403 3.406 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(SC(F)F)cc1 ZINC000769954164 627592160 /nfs/dbraw/zinc/59/21/60/627592160.db2.gz SGUBLMZPPLJUMH-JTQLQIEISA-N 0 3 255.333 3.455 20 30 CGEDHN C#C[C@H](C)N(C)CCOc1ccccc1C(F)(F)F ZINC000769977263 627594266 /nfs/dbraw/zinc/59/42/66/627594266.db2.gz CLTJYVKQRRIMGE-NSHDSACASA-N 0 3 271.282 3.038 20 30 CGEDHN C=CCN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CC1 ZINC000772384342 627789536 /nfs/dbraw/zinc/78/95/36/627789536.db2.gz YATABFCFOTYZOD-UHFFFAOYSA-N 0 3 295.382 3.432 20 30 CGEDHN COc1ccc(CN[C@H](C)c2ccc(C)nc2C)cc1C#N ZINC000773082291 627852809 /nfs/dbraw/zinc/85/28/09/627852809.db2.gz HPRGJZBYDREQGS-CYBMUJFWSA-N 0 3 295.386 3.430 20 30 CGEDHN CCC(CC)CNN=Cc1ccc(N(C)CCC#N)cc1 ZINC000774477749 627996259 /nfs/dbraw/zinc/99/62/59/627996259.db2.gz OIYDXVCMFWBQJQ-UHFFFAOYSA-N 0 3 286.423 3.396 20 30 CGEDHN C#CC[C@@H](NCc1ccc2c(c1)ncn2C)c1ccccc1 ZINC000774820120 628035419 /nfs/dbraw/zinc/03/54/19/628035419.db2.gz QJMUQNOZDXZPAY-QGZVFWFLSA-N 0 3 289.382 3.428 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000775179879 628069623 /nfs/dbraw/zinc/06/96/23/628069623.db2.gz SXOMELHBPDBUGV-ZDUSSCGKSA-N 0 3 257.377 3.244 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000775260764 628075934 /nfs/dbraw/zinc/07/59/34/628075934.db2.gz CVEJVHHCNFSQGH-KGLIPLIRSA-N 0 3 286.375 3.096 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)NCCCOc1ccc(C#N)cc1 ZINC000775618043 628114039 /nfs/dbraw/zinc/11/40/39/628114039.db2.gz WACWEQRSGXTDKL-GFCCVEGCSA-N 0 3 299.374 3.283 20 30 CGEDHN CCCN(CCC)c1ccc(C=NN[C@@H](C)COC)cc1 ZINC000777894649 628308069 /nfs/dbraw/zinc/30/80/69/628308069.db2.gz NFDXMJMBFUDNHH-HNNXBMFYSA-N 0 3 291.439 3.271 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@@H](C)C1 ZINC000778179217 628332547 /nfs/dbraw/zinc/33/25/47/628332547.db2.gz QKFCFRWVHXWYNU-STQMWFEESA-N 0 3 293.794 3.009 20 30 CGEDHN C#CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779099229 628388890 /nfs/dbraw/zinc/38/88/90/628388890.db2.gz IBMSVNUOYLIIMG-MRXNPFEDSA-N 0 3 269.319 3.386 20 30 CGEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN[C@H]1CCCOC1 ZINC000780257262 628473041 /nfs/dbraw/zinc/47/30/41/628473041.db2.gz HRVSHCXZGZGWHJ-PMDJFSPESA-N 0 3 299.418 3.052 20 30 CGEDHN CCc1cnccc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000783016029 628673172 /nfs/dbraw/zinc/67/31/72/628673172.db2.gz GRNVMCDXHBIUTJ-AWEZNQCLSA-N 0 3 295.386 3.397 20 30 CGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CCC1=O ZINC000783363323 628705251 /nfs/dbraw/zinc/70/52/51/628705251.db2.gz LMNWYGXUKZTRGF-IJLUTSLNSA-N 0 3 296.326 3.009 20 30 CGEDHN N#CCCCNCc1ccccc1N1CCCCC1 ZINC000784622210 628825631 /nfs/dbraw/zinc/82/56/31/628825631.db2.gz VPGZCMLLZRXCSR-UHFFFAOYSA-N 0 3 257.381 3.070 20 30 CGEDHN C=C[C@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000787307889 629007845 /nfs/dbraw/zinc/00/78/45/629007845.db2.gz AIAYHGKOINWRAX-AWEZNQCLSA-N 0 3 261.365 3.331 20 30 CGEDHN C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000787307889 629007847 /nfs/dbraw/zinc/00/78/47/629007847.db2.gz AIAYHGKOINWRAX-AWEZNQCLSA-N 0 3 261.365 3.331 20 30 CGEDHN COc1cc(N=NC2C[C@@H](C)N(C3CC3)C2)ccc1Cl ZINC000788467267 629056059 /nfs/dbraw/zinc/05/60/59/629056059.db2.gz IHAZVPCNNSNDSR-SNVBAGLBSA-N 0 3 293.798 3.373 20 30 CGEDHN N#CCC1(COC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000805888870 629129936 /nfs/dbraw/zinc/12/99/36/629129936.db2.gz NEROXFGWCRTCHI-UHFFFAOYSA-N 0 3 298.386 3.133 20 30 CGEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(OCC#N)cc1 ZINC000791579825 629290264 /nfs/dbraw/zinc/29/02/64/629290264.db2.gz SUVFUNYXVDTIBE-BXUZGUMPSA-N 0 3 298.308 3.362 20 30 CGEDHN CCCCCCCCCN1CCN2C(=O)CC[C@H]2C1 ZINC000792268151 629353527 /nfs/dbraw/zinc/35/35/27/629353527.db2.gz JLIVYEYTXSFXIL-HNNXBMFYSA-N 0 3 266.429 3.044 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cnc(C3CCC3)s2)C1 ZINC000862445571 629380228 /nfs/dbraw/zinc/38/02/28/629380228.db2.gz XFCBYEJDVVNOCG-LBPRGKRZSA-N 0 3 260.406 3.256 20 30 CGEDHN Cc1cc(NN=C2C[C@H](C)c3ccccc32)ccn1 ZINC000863159481 629485390 /nfs/dbraw/zinc/48/53/90/629485390.db2.gz SZHDMHIZUDGJMT-NSHDSACASA-N 0 3 251.333 3.135 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)COC)c([O-])c1 ZINC000793654510 629493469 /nfs/dbraw/zinc/49/34/69/629493469.db2.gz MDZNZFUBQMHTEQ-WOJGMQOQSA-N 0 3 292.423 3.330 20 30 CGEDHN C=CC[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccncc1 ZINC000794800613 629578053 /nfs/dbraw/zinc/57/80/53/629578053.db2.gz FDHRGGXTZLRYKJ-HZPDHXFCSA-N 0 3 282.391 3.100 20 30 CGEDHN Cc1ccc(CNCc2cc(C#N)ccc2N(C)C)cc1 ZINC000865402173 630102550 /nfs/dbraw/zinc/10/25/50/630102550.db2.gz RXEVSGUILADYDP-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H](C)CC(C)C)n1 ZINC000799168787 630151980 /nfs/dbraw/zinc/15/19/80/630151980.db2.gz WYGQRWQEXZVSKW-OAHLLOKOSA-N 0 3 261.413 3.020 20 30 CGEDHN C[C@H](C=Nn1cnnc1-c1ccccc1)C(C)(C)C ZINC000800810002 630300361 /nfs/dbraw/zinc/30/03/61/630300361.db2.gz ZYSQOXBANLXFNZ-GFCCVEGCSA-N 0 3 256.353 3.461 20 30 CGEDHN Clc1cccc([C@H]2CCCC(=Nn3cnnc3)C2)c1 ZINC000841602708 630638436 /nfs/dbraw/zinc/63/84/36/630638436.db2.gz BRLMQLIZKNMWMJ-LBPRGKRZSA-N 0 3 274.755 3.493 20 30 CGEDHN C=CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808787107 630678259 /nfs/dbraw/zinc/67/82/59/630678259.db2.gz OFEMGEGRFNGDAW-DLBZAZTESA-N 0 3 253.345 3.237 20 30 CGEDHN C#Cc1ccc(CNCc2ccnc(SCC)c2)cc1 ZINC000809645194 630773184 /nfs/dbraw/zinc/77/31/84/630773184.db2.gz AICHTCNPFMHTLJ-UHFFFAOYSA-N 0 3 282.412 3.465 20 30 CGEDHN C#C[C@@H](NCc1ccnn1-c1ccc(F)cc1)C(C)(C)C ZINC000809780949 630805473 /nfs/dbraw/zinc/80/54/73/630805473.db2.gz BHGADPRAJCFSAR-MRXNPFEDSA-N 0 3 285.366 3.149 20 30 CGEDHN C#C[C@H](NCc1ccnn1-c1ccccc1OC)C(C)(C)C ZINC000809782979 630807879 /nfs/dbraw/zinc/80/78/79/630807879.db2.gz NFHQWFKREDQBQM-KRWDZBQOSA-N 0 3 297.402 3.018 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(Br)nc1 ZINC000810227107 630857080 /nfs/dbraw/zinc/85/70/80/630857080.db2.gz RKALPKIAWXFTFM-NSHDSACASA-N 0 3 299.212 3.087 20 30 CGEDHN C=CCN(CCOC)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878503181 635533918 /nfs/dbraw/zinc/53/39/18/635533918.db2.gz OSYMAXLJMSUXHF-SJORKVTESA-N 0 3 275.392 3.041 20 30 CGEDHN C#CCOc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000811512255 631079526 /nfs/dbraw/zinc/07/95/26/631079526.db2.gz JBZBQVZTYDSHCY-ZDUSSCGKSA-N 0 3 279.330 3.176 20 30 CGEDHN C#C[C@H](N[C@@H](C)C[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000811517302 631082627 /nfs/dbraw/zinc/08/26/27/631082627.db2.gz NQTVTXHYAWAWGY-ZENOOKHLSA-N 0 3 277.795 3.419 20 30 CGEDHN Cc1cccc(C(C)C)c1NNC1=CC(=O)N2CCCC12 ZINC000812231884 631223483 /nfs/dbraw/zinc/22/34/83/631223483.db2.gz ISZUQNMDHIYQAL-OAHLLOKOSA-N 0 3 285.391 3.281 20 30 CGEDHN Cc1cccc(C(C)C)c1N=NC1CN(C)C[C@H]1C ZINC000812232641 631224727 /nfs/dbraw/zinc/22/47/27/631224727.db2.gz JLSVDYCCJJNFCL-CYBMUJFWSA-N 0 3 259.397 3.468 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC2CC2)cc1 ZINC000813059512 631343703 /nfs/dbraw/zinc/34/37/03/631343703.db2.gz AXWVIIGBJZGVOL-INIZCTEOSA-N 0 3 298.386 3.477 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CCC)cc1 ZINC000876558109 634856878 /nfs/dbraw/zinc/85/68/78/634856878.db2.gz IEGZTPDFQYBANM-CYBMUJFWSA-N 0 3 266.772 3.048 20 30 CGEDHN C#CCN(CCC1(OC)CCC1)Cc1ccc(F)cc1 ZINC000815027776 631705439 /nfs/dbraw/zinc/70/54/39/631705439.db2.gz ITZVXHJRGMEFJP-UHFFFAOYSA-N 0 3 275.367 3.220 20 30 CGEDHN C=CCC(C)(C)C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000815142797 631728688 /nfs/dbraw/zinc/72/86/88/631728688.db2.gz ZOIQRXNZNDADBB-UHFFFAOYSA-N 0 3 263.381 3.483 20 30 CGEDHN Cc1c2cccc(C)c2oc1CN(C)CCO[C@@H](C)C#N ZINC000844420940 635896414 /nfs/dbraw/zinc/89/64/14/635896414.db2.gz PGKXTLOAEHDJBN-ZDUSSCGKSA-N 0 3 286.375 3.410 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCC[C@H]1F)CC2 ZINC000866451990 633140883 /nfs/dbraw/zinc/14/08/83/633140883.db2.gz SDPPNDKZZISWQN-PMPSAXMXSA-N 0 3 258.340 3.416 20 30 CGEDHN Cc1nc([C@@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)c(C)s1 ZINC000866617896 633217144 /nfs/dbraw/zinc/21/71/44/633217144.db2.gz RBECVHRKMWRJBK-HWPZZCPQSA-N 0 3 297.427 3.450 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)ccc1Cl ZINC000876575866 634861674 /nfs/dbraw/zinc/86/16/74/634861674.db2.gz XCWLNMICBHPDST-SNVBAGLBSA-N 0 3 273.163 3.057 20 30 CGEDHN C#CCN(CCc1ccncc1C)Cc1ccccc1 ZINC000828536859 633626002 /nfs/dbraw/zinc/62/60/02/633626002.db2.gz OHKJXXLEJBANQS-UHFFFAOYSA-N 0 3 264.372 3.068 20 30 CGEDHN C#CCN(C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829159262 633705798 /nfs/dbraw/zinc/70/57/98/633705798.db2.gz OKTANRAVVGVCJX-UHFFFAOYSA-N 0 3 256.393 3.050 20 30 CGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000829775166 633780803 /nfs/dbraw/zinc/78/08/03/633780803.db2.gz YUBMUEIVOAAOKA-DLBZAZTESA-N 0 3 298.430 3.366 20 30 CGEDHN C#CC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000830352007 633855377 /nfs/dbraw/zinc/85/53/77/633855377.db2.gz YFPCFOSOZAQPEM-UHFFFAOYSA-N 0 3 284.334 3.326 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831830333 634005298 /nfs/dbraw/zinc/00/52/98/634005298.db2.gz UPOOSXVVPLNAJW-OCCSQVGLSA-N 0 3 296.754 3.071 20 30 CGEDHN C[C@H](NC[C@H]1CC(C)(C)CO1)c1ccc(C#N)cc1F ZINC000872105198 634026196 /nfs/dbraw/zinc/02/61/96/634026196.db2.gz CTYNCTFPSNETPB-WCQYABFASA-N 0 3 276.355 3.163 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872130899 634052014 /nfs/dbraw/zinc/05/20/14/634052014.db2.gz MTASVUPPMJHBHN-JBLDHEPKSA-N 0 3 283.297 3.443 20 30 CGEDHN C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc([O-])c2F)CC1 ZINC000872139917 634063503 /nfs/dbraw/zinc/06/35/03/634063503.db2.gz SKZDYLTUHZCIFR-JHJVBQTASA-N 0 3 261.340 3.374 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1CCC ZINC000876575729 634861008 /nfs/dbraw/zinc/86/10/08/634861008.db2.gz QUBINSWOLCLBBK-GFCCVEGCSA-N 0 3 266.772 3.048 20 30 CGEDHN C#CCCCCCCN(C)Cc1cnc(C)s1 ZINC000876622988 634870041 /nfs/dbraw/zinc/87/00/41/634870041.db2.gz SVBQQMZAWPIJAA-UHFFFAOYSA-N 0 3 250.411 3.467 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000876647031 634874644 /nfs/dbraw/zinc/87/46/44/634874644.db2.gz DKNVDJSDDTXZPF-GJZGRUSLSA-N 0 3 292.810 3.114 20 30 CGEDHN CC(C)N1CCCC[C@H]1COC(=O)c1sccc1C#N ZINC000837484129 634917980 /nfs/dbraw/zinc/91/79/80/634917980.db2.gz FZEDCCUNYNYVTD-ZDUSSCGKSA-N 0 3 292.404 3.039 20 30 CGEDHN C[C@H](CCc1ccco1)NCc1cc(C#N)cnc1Cl ZINC000876884972 634920063 /nfs/dbraw/zinc/92/00/63/634920063.db2.gz MVMJPPNSBGUEPJ-LLVKDONJSA-N 0 3 289.766 3.311 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000876954042 634936478 /nfs/dbraw/zinc/93/64/78/634936478.db2.gz BMTCFRIDRMOLNI-KGLIPLIRSA-N 0 3 284.831 3.028 20 30 CGEDHN N#CCC1CCN(Cc2cnc3c(F)cccc3c2)CC1 ZINC000877191405 635011083 /nfs/dbraw/zinc/01/10/83/635011083.db2.gz TUVYNHBYVBUOPD-UHFFFAOYSA-N 0 3 283.350 3.500 20 30 CGEDHN C=CCN(C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000877425849 635039670 /nfs/dbraw/zinc/03/96/70/635039670.db2.gz FXPJZTNDVJRZRH-UHFFFAOYSA-N 0 3 290.407 3.329 20 30 CGEDHN C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)[C@H](N)CCCCC#N)C1 ZINC000877454736 635044227 /nfs/dbraw/zinc/04/42/27/635044227.db2.gz DABLSLSEBARJPJ-CKEIUWERSA-N 0 3 293.455 3.119 20 30 CGEDHN CC(C)C(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877461976 635045916 /nfs/dbraw/zinc/04/59/16/635045916.db2.gz MDQAIEPLBUSWHT-UHFFFAOYSA-N 0 3 265.788 3.378 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000840936988 635086238 /nfs/dbraw/zinc/08/62/38/635086238.db2.gz PTESHDRNFGFIIA-UHFFFAOYSA-N 0 3 291.391 3.409 20 30 CGEDHN C#CCOc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000840962923 635094961 /nfs/dbraw/zinc/09/49/61/635094961.db2.gz OELRXKIRPIQKRZ-HZPDHXFCSA-N 0 3 261.340 3.069 20 30 CGEDHN COCC1(NCc2cc(C#N)cnc2Cl)CCCCC1 ZINC000877643467 635128747 /nfs/dbraw/zinc/12/87/47/635128747.db2.gz FQENNKBDUIGSOU-UHFFFAOYSA-N 0 3 293.798 3.046 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000877923189 635271816 /nfs/dbraw/zinc/27/18/16/635271816.db2.gz KQAOIHKRLGUMQQ-OAHLLOKOSA-N 0 3 274.408 3.008 20 30 CGEDHN Cc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)ccc1F ZINC000842155760 635297884 /nfs/dbraw/zinc/29/78/84/635297884.db2.gz DYUAZWNRNJLNNJ-GOSISDBHSA-N 0 3 298.361 3.171 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CCC2(CCC2)C1)c1ccccc1 ZINC000878187987 635403312 /nfs/dbraw/zinc/40/33/12/635403312.db2.gz KJKAWELDCUOQLK-IBGZPJMESA-N 0 3 296.414 3.303 20 30 CGEDHN C#CC1CCN(Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000843426983 635670841 /nfs/dbraw/zinc/67/08/41/635670841.db2.gz PQJHTQMCFSNTBH-UHFFFAOYSA-N 0 3 279.387 3.026 20 30 CGEDHN C=CC[C@@H](C)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC000879031971 635686385 /nfs/dbraw/zinc/68/63/85/635686385.db2.gz GDDPTBGXEUQJOS-GFCCVEGCSA-N 0 3 259.397 3.097 20 30 CGEDHN CC(C)(O)[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000879963169 635890164 /nfs/dbraw/zinc/89/01/64/635890164.db2.gz YFMZAFXCAKRRLX-HNNXBMFYSA-N 0 3 291.822 3.174 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1)[C@H](CO)c1ccccc1 ZINC000880459824 636004330 /nfs/dbraw/zinc/00/43/30/636004330.db2.gz ZYQIFLGDGWMSNB-GOSISDBHSA-N 0 3 280.371 3.114 20 30 CGEDHN Clc1ccccc1C#CCN[C@@H]1CCC[C@]12CCCO2 ZINC000880497138 636009699 /nfs/dbraw/zinc/00/96/99/636009699.db2.gz GFQNDOSFWOXBRS-SJORKVTESA-N 0 3 289.806 3.383 20 30 CGEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCCC1)c1ccccn1 ZINC000845441782 636036229 /nfs/dbraw/zinc/03/62/29/636036229.db2.gz UOMATXSOVMYRKB-MJBXVCDLSA-N 0 3 254.333 3.084 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845732540 636089957 /nfs/dbraw/zinc/08/99/57/636089957.db2.gz QWQUINMMDZRHQJ-QWHCGFSZSA-N 0 3 253.386 3.005 20 30 CGEDHN C=C(C)CC[C@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000845864383 636110244 /nfs/dbraw/zinc/11/02/44/636110244.db2.gz FOVNOEYYVDAEMJ-ZDUSSCGKSA-N 0 3 265.397 3.149 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1 ZINC000846013904 636130108 /nfs/dbraw/zinc/13/01/08/636130108.db2.gz FNKWBINHVVEQON-GOSISDBHSA-N 0 3 287.403 3.088 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(F)c3cccnc23)C1 ZINC000847021689 636314223 /nfs/dbraw/zinc/31/42/23/636314223.db2.gz AQAARSRSBYPBQH-ZDUSSCGKSA-N 0 3 268.335 3.219 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000847030909 636319064 /nfs/dbraw/zinc/31/90/64/636319064.db2.gz OTIKAXFKBSPENK-HNNXBMFYSA-N 0 3 295.382 3.255 20 30 CGEDHN c1ccc2nc(N=NC3CCCN4CCCC[C@@H]34)cnc2c1 ZINC000848403949 636567785 /nfs/dbraw/zinc/56/77/85/636567785.db2.gz GHKCPXKTOMETLP-INIZCTEOSA-N 0 3 295.390 3.046 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(SC)s2)C1 ZINC000848924336 636695114 /nfs/dbraw/zinc/69/51/14/636695114.db2.gz QFCFQHMATYKIBF-LLVKDONJSA-N 0 3 251.420 3.315 20 30 CGEDHN C#C[C@@H]1CCCN(C/C=C/c2ccccc2OC)C1 ZINC000848924111 636696222 /nfs/dbraw/zinc/69/62/22/636696222.db2.gz NXJXGJVJVGGUPU-JOZWUWCOSA-N 0 3 255.361 3.054 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](CC)c1ccc(F)cc1F ZINC000883389326 636732055 /nfs/dbraw/zinc/73/20/55/636732055.db2.gz OPOHHRZVXIFFGB-DOMZBBRYSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCOCCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850532343 637109243 /nfs/dbraw/zinc/10/92/43/637109243.db2.gz SXJRRUVMPZFTFB-YPMHNXCESA-N 0 3 279.355 3.262 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886104644 637414146 /nfs/dbraw/zinc/41/41/46/637414146.db2.gz HMNFGXFLJIDBMW-DGCLKSJQSA-N 0 3 294.345 3.060 20 30 CGEDHN C=CCCn1cc(CN[C@H](Cc2ccccc2)C(C)C)nn1 ZINC000886218134 637462941 /nfs/dbraw/zinc/46/29/41/637462941.db2.gz OMTZEMFTQMVHCU-GOSISDBHSA-N 0 3 298.434 3.211 20 30 CGEDHN C#CCOCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000851716054 637472701 /nfs/dbraw/zinc/47/27/01/637472701.db2.gz FQVHTVCCNUYFPF-HNNXBMFYSA-N 0 3 263.768 3.127 20 30 CGEDHN CN(CCc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC000851798602 637506856 /nfs/dbraw/zinc/50/68/56/637506856.db2.gz GVDZFANGHFIZCS-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C#CC[C@H]1CCN([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000886355513 637510444 /nfs/dbraw/zinc/51/04/44/637510444.db2.gz JQSGDYGLRSZFGG-KGLIPLIRSA-N 0 3 281.359 3.143 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CC[C@H](OC)C1 ZINC000852041202 637576829 /nfs/dbraw/zinc/57/68/29/637576829.db2.gz RHJYPHPSEKREDR-SJORKVTESA-N 0 3 291.439 3.410 20 30 CGEDHN C#C[C@](C)(CC)NCc1cccc(C(=O)C(F)(F)F)c1 ZINC000852103203 637598013 /nfs/dbraw/zinc/59/80/13/637598013.db2.gz AHYQTYHJVDTOKT-CQSZACIVSA-N 0 3 283.293 3.323 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000852319753 637633045 /nfs/dbraw/zinc/63/30/45/637633045.db2.gz RIGHKPMTBVXRED-DZGCQCFKSA-N 0 3 284.359 3.092 20 30 CGEDHN C=CCC[C@H](NCc1cc(C2CC2)no1)[C@H]1CCCO1 ZINC000886686844 637651880 /nfs/dbraw/zinc/65/18/80/637651880.db2.gz YKFQMNMTLAHUCK-GOEBONIOSA-N 0 3 276.380 3.155 20 30 CGEDHN C#CCCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852679209 637694316 /nfs/dbraw/zinc/69/43/16/637694316.db2.gz MKTFAZWZKZOLLI-LBPRGKRZSA-N 0 3 272.175 3.030 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](C)CCCCC ZINC000852687211 637696838 /nfs/dbraw/zinc/69/68/38/637696838.db2.gz QSXBYIGZKHWKGQ-OAGGEKHMSA-N 0 3 278.440 3.254 20 30 CGEDHN C[C@@H]1CCCCN1N=C1CCCc2cc(N)ccc21 ZINC000853381790 637831843 /nfs/dbraw/zinc/83/18/43/637831843.db2.gz LSJONCDVMVCMNA-GFCCVEGCSA-N 0 3 257.381 3.184 20 30 CGEDHN FC(F)(F)[C@H]1C=C(NNc2ccnc(Cl)c2)CCO1 ZINC000853395026 637834208 /nfs/dbraw/zinc/83/42/08/637834208.db2.gz IJOQQEYDKAZNLT-SECBINFHSA-N 0 3 293.676 3.244 20 30 CGEDHN Cc1cc2ncn(CN3CCC[C@H](CC#N)C3)c2cc1C ZINC000853525032 637861266 /nfs/dbraw/zinc/86/12/66/637861266.db2.gz BLAHBVIOUANODC-OAHLLOKOSA-N 0 3 282.391 3.236 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1nccc1-c1cccnc1 ZINC000853597591 637871446 /nfs/dbraw/zinc/87/14/46/637871446.db2.gz BYMQGTVMVGCYCB-IYBDPMFKSA-N 0 3 280.375 3.086 20 30 CGEDHN C#CCN(CCC)Cc1ccc(OCCC)c(OC)c1 ZINC000302741372 637906926 /nfs/dbraw/zinc/90/69/26/637906926.db2.gz AXYFDJARKRTPMS-UHFFFAOYSA-N 0 3 275.392 3.329 20 30 CGEDHN C#C[C@](C)(CC)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000854693579 638087835 /nfs/dbraw/zinc/08/78/35/638087835.db2.gz UBHDECUWDHSJFB-LJQANCHMSA-N 0 3 298.430 3.204 20 30 CGEDHN C#CCOc1ccc(CNCc2cccc(C)c2)cc1 ZINC000113317210 638185161 /nfs/dbraw/zinc/18/51/61/638185161.db2.gz QUPFKSOWUNWVBI-UHFFFAOYSA-N 0 3 265.356 3.297 20 30 CGEDHN C[C@@H]1[C@@H](N[C@H](CCC#N)c2ccccc2)CO[C@H]1C ZINC000925599925 638540938 /nfs/dbraw/zinc/54/09/38/638540938.db2.gz DIIVJQPRKWIAJF-UGQVUOCMSA-N 0 3 258.365 3.044 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000925631301 638550559 /nfs/dbraw/zinc/55/05/59/638550559.db2.gz HHPXHLHOWXAEND-CQSZACIVSA-N 0 3 280.799 3.295 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858051150 638622552 /nfs/dbraw/zinc/62/25/52/638622552.db2.gz INYAMVXURGLFMW-KBRIMQKVSA-N 0 3 297.402 3.104 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc(Cl)cs2)CC1 ZINC000858398613 638703203 /nfs/dbraw/zinc/70/32/03/638703203.db2.gz BWWQZCCXSKKHIL-UHFFFAOYSA-N 0 3 271.817 3.249 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1csc(C(F)(F)F)c1 ZINC000926153191 638723882 /nfs/dbraw/zinc/72/38/82/638723882.db2.gz MTODDQWEDBISGI-SCZZXKLOSA-N 0 3 279.327 3.355 20 30 CGEDHN COc1ccc2c(c1)[C@@H](N[C@H](C)CC(C)(C)C#N)CCO2 ZINC000926191514 638736692 /nfs/dbraw/zinc/73/66/92/638736692.db2.gz BYDOHGFMVRFHDL-DOMZBBRYSA-N 0 3 288.391 3.437 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2c1nccc2Cl ZINC000926531449 638781602 /nfs/dbraw/zinc/78/16/02/638781602.db2.gz NVXLUKRAWGMQGF-MCIONIFRSA-N 0 3 278.783 3.046 20 30 CGEDHN N#CC1(CN[C@@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000926874944 638820063 /nfs/dbraw/zinc/82/00/63/638820063.db2.gz VLEXYXPJFHZAGN-SFHVURJKSA-N 0 3 291.398 3.129 20 30 CGEDHN CC[C@H]1CN(CCCCC2(C#N)CCC2)C[C@H](C)O1 ZINC000929618466 638934878 /nfs/dbraw/zinc/93/48/78/638934878.db2.gz AHVTWEIMBPPRLA-GJZGRUSLSA-N 0 3 264.413 3.350 20 30 CGEDHN COC(=O)C1(N(C)CCCCC2(C#N)CCC2)CCCC1 ZINC000930039170 638970692 /nfs/dbraw/zinc/97/06/92/638970692.db2.gz IGVISHXCAYAOGV-UHFFFAOYSA-N 0 3 292.423 3.268 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1cccnc1 ZINC000930185909 638981070 /nfs/dbraw/zinc/98/10/70/638981070.db2.gz OGLBVHBUSKHDFL-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN C#CC1CCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC000930820943 639072684 /nfs/dbraw/zinc/07/26/84/639072684.db2.gz IWBBWAHFKWQYRC-UHFFFAOYSA-N 0 3 266.344 3.187 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C)c2snnc2C)C1 ZINC000930963759 639091231 /nfs/dbraw/zinc/09/12/31/639091231.db2.gz XOLLDWJDEHYUSX-NWDGAFQWSA-N 0 3 251.399 3.196 20 30 CGEDHN CC(C)c1ncc2c(n1)CCN(CC1CCC(C#N)CC1)C2 ZINC000931164742 639120674 /nfs/dbraw/zinc/12/06/74/639120674.db2.gz SJPJJJTTZFXZLM-UHFFFAOYSA-N 0 3 298.434 3.288 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000859445179 639142644 /nfs/dbraw/zinc/14/26/44/639142644.db2.gz LEVOYRNKHSEHBP-CQSZACIVSA-N 0 3 267.376 3.336 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC000932140419 639272675 /nfs/dbraw/zinc/27/26/75/639272675.db2.gz BAKKMGRXLOGPDW-GOSISDBHSA-N 0 3 290.451 3.280 20 30 CGEDHN C[C@H](CCC#N)N[C@H](CO)c1ccccc1C(F)(F)F ZINC000933242375 639430160 /nfs/dbraw/zinc/43/01/60/639430160.db2.gz WBTGDVYOVGSGRH-ZWNOBZJWSA-N 0 3 286.297 3.021 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(C)c(C)c2)CCC1 ZINC000933304245 639437294 /nfs/dbraw/zinc/43/72/94/639437294.db2.gz JFNUMRQEWURUJJ-OAHLLOKOSA-N 0 3 284.403 3.166 20 30 CGEDHN C[C@@]1(C2CC2)COCCN1CCCCC1(C#N)CCC1 ZINC000934475090 639617332 /nfs/dbraw/zinc/61/73/32/639617332.db2.gz JLUBSSOKZQIXOM-INIZCTEOSA-N 0 3 276.424 3.351 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1 ZINC000245754756 640636073 /nfs/dbraw/zinc/63/60/73/640636073.db2.gz OKJFBSMWZHLLFH-MGPQQGTHSA-N 0 3 290.432 3.303 20 30 CGEDHN CC[C@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)CCS1 ZINC000093502155 640774462 /nfs/dbraw/zinc/77/44/62/640774462.db2.gz KSRJUPBUXZSMQE-BBRMVZONSA-N 0 3 290.432 3.305 20 30 CGEDHN CN(Cc1ccc(N(CCC#N)C2CCCC2)nc1)C1CC1 ZINC001165017440 721835730 /nfs/dbraw/zinc/83/57/30/721835730.db2.gz LYPRPOBATJNIBB-UHFFFAOYSA-N 0 3 298.434 3.338 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC001156373964 805678615 /nfs/dbraw/zinc/67/86/15/805678615.db2.gz HCVSTIUUPLMJDY-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N1CCCC[C@@H](C)C1 ZINC001157782327 805869514 /nfs/dbraw/zinc/86/95/14/805869514.db2.gz YXLLKTMEESBNRP-CABCVRRESA-N 0 3 266.429 3.099 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC1(C)C ZINC001158337102 805940456 /nfs/dbraw/zinc/94/04/56/805940456.db2.gz YXPUOHUEUVBHAM-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1ccoc1 ZINC001252134348 806020549 /nfs/dbraw/zinc/02/05/49/806020549.db2.gz PNZASRALACDIAY-HNNXBMFYSA-N 0 3 253.386 3.481 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1ccncc1F ZINC001252136669 806023420 /nfs/dbraw/zinc/02/34/20/806023420.db2.gz SUYNQCOGWVEPPI-OAHLLOKOSA-N 0 3 282.403 3.422 20 30 CGEDHN C=C[C@@H](NC[C@@H](O)COCc1ccccc1)c1ccccc1 ZINC001252312275 806036595 /nfs/dbraw/zinc/03/65/95/806036595.db2.gz TUYWMXGANXBSJA-RTBURBONSA-N 0 3 297.398 3.081 20 30 CGEDHN C=C[C@@](C)(O)CNCc1cccc(C(F)(F)F)c1Cl ZINC001252576513 806074212 /nfs/dbraw/zinc/07/42/12/806074212.db2.gz MFMJTRJBGMRZEF-GFCCVEGCSA-N 0 3 293.716 3.385 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCC(C)=O ZINC001252984862 806146468 /nfs/dbraw/zinc/14/64/68/806146468.db2.gz BAFLIRKLPIMANV-OAHLLOKOSA-N 0 3 257.418 3.057 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001252989916 806149509 /nfs/dbraw/zinc/14/95/09/806149509.db2.gz ULDBAONCPALGGA-HNNXBMFYSA-N 0 3 296.459 3.094 20 30 CGEDHN C=CCCCCCC[C@H](O)CN(C)Cc1ccccn1 ZINC001253227777 806184539 /nfs/dbraw/zinc/18/45/39/806184539.db2.gz MZKWOAPUFPHXKS-KRWDZBQOSA-N 0 3 276.424 3.401 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNc1cnc(C)n1C ZINC001253234172 806188652 /nfs/dbraw/zinc/18/86/52/806188652.db2.gz VUTUGMVKXLEYHR-CQSZACIVSA-N 0 3 265.401 3.028 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cccc(OC)n1 ZINC001253256252 806197728 /nfs/dbraw/zinc/19/77/28/806197728.db2.gz TZEOQEAZFDRWNC-INIZCTEOSA-N 0 3 292.423 3.067 20 30 CGEDHN CC(C)C[C@H](C#N)Nc1ccc(CN2CCCC2)cn1 ZINC001160363962 806260860 /nfs/dbraw/zinc/26/08/60/806260860.db2.gz VNNKXCVPQSUKNH-OAHLLOKOSA-N 0 3 272.396 3.028 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1ncnc(Cl)c1C(C)C ZINC001160957167 806327672 /nfs/dbraw/zinc/32/76/72/806327672.db2.gz GWYBYNAYCFCZHR-LBPRGKRZSA-N 0 3 294.830 3.316 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001161035819 806340198 /nfs/dbraw/zinc/34/01/98/806340198.db2.gz BKORYASAHBZQNS-WBVHZDCISA-N 0 3 290.451 3.137 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H](C#N)C1)CCO2 ZINC001254645153 806470441 /nfs/dbraw/zinc/47/04/41/806470441.db2.gz AGWHDRFODMYQDA-VNHYZAJKSA-N 0 3 256.349 3.101 20 30 CGEDHN CC(C)(N[C@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccn1 ZINC001254654693 806475267 /nfs/dbraw/zinc/47/52/67/806475267.db2.gz XIAXRWXWVPVCLO-PWSUYJOCSA-N 0 3 263.772 3.252 20 30 CGEDHN CC[C@@H](CC#N)NCCCc1cncc(C(F)(F)F)c1 ZINC001255149570 806554101 /nfs/dbraw/zinc/55/41/01/806554101.db2.gz KOHNVDHTIKOIPM-ZDUSSCGKSA-N 0 3 285.313 3.315 20 30 CGEDHN CC[C@H](CC#N)NC1(Cc2ccccc2F)CCOCC1 ZINC001255162554 806562046 /nfs/dbraw/zinc/56/20/46/806562046.db2.gz SKTNWBOUZMSHIV-OAHLLOKOSA-N 0 3 290.382 3.199 20 30 CGEDHN C#C[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)C(C)C ZINC000379669634 799352695 /nfs/dbraw/zinc/35/26/95/799352695.db2.gz DTLJEYSQTFVECF-CQSZACIVSA-N 0 3 293.794 3.249 20 30 CGEDHN CC[C@H](CC#N)NCCc1ccc(Br)cc1 ZINC000381166941 799373735 /nfs/dbraw/zinc/37/37/35/799373735.db2.gz SNEDLEDELKETDU-CYBMUJFWSA-N 0 3 281.197 3.273 20 30 CGEDHN C=C(C)CNc1nc(N2CCOCC2)cc2ccccc21 ZINC001163375575 806753658 /nfs/dbraw/zinc/75/36/58/806753658.db2.gz DPRDQZZAPQJCNS-UHFFFAOYSA-N 0 3 283.375 3.059 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCC[C@@H]2C2CC2)n1 ZINC000695816861 799834885 /nfs/dbraw/zinc/83/48/85/799834885.db2.gz OXOZKLJMRDSKJO-OLZOCXBDSA-N 0 3 261.394 3.073 20 30 CGEDHN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)c1ccccn1 ZINC000695929231 799835993 /nfs/dbraw/zinc/83/59/93/799835993.db2.gz DHJOYSDILYFGBO-STQMWFEESA-N 0 3 254.333 3.228 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(Cl)c1)C(C)(C)C ZINC000702265611 799906375 /nfs/dbraw/zinc/90/63/75/799906375.db2.gz ISATWXDRZKZLDI-AWEZNQCLSA-N 0 3 265.784 3.486 20 30 CGEDHN C#C[C@@H](NCc1ccc(OCC=C)cc1)C(C)(C)C ZINC000702282897 799906917 /nfs/dbraw/zinc/90/69/17/799906917.db2.gz XGCMPJBELYMGOI-MRXNPFEDSA-N 0 3 257.377 3.389 20 30 CGEDHN C#C[C@@H](NCc1cnc(N(CC)CC)s1)C(C)(C)C ZINC000702289532 799907074 /nfs/dbraw/zinc/90/70/74/799907074.db2.gz JBHPSOKNAHZAHH-CYBMUJFWSA-N 0 3 279.453 3.127 20 30 CGEDHN Cc1c(N)ccnc1NC(=N)c1ccc(C(F)(F)F)cc1 ZINC001163678986 806799115 /nfs/dbraw/zinc/79/91/15/806799115.db2.gz XUJXRKJYXLMBTH-UHFFFAOYSA-N 0 3 294.280 3.028 20 30 CGEDHN C=CCC1(O)CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000717470633 800204038 /nfs/dbraw/zinc/20/40/38/800204038.db2.gz HFQFIWPCFJZPEO-UHFFFAOYSA-N 0 3 295.810 3.122 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2cccc(F)c2)cc1 ZINC000809537632 800442985 /nfs/dbraw/zinc/44/29/85/800442985.db2.gz AGLDGUTWFOVPSF-UHFFFAOYSA-N 0 3 253.320 3.439 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@@H]2C)C1 ZINC001023151207 800704807 /nfs/dbraw/zinc/70/48/07/800704807.db2.gz HFDWCECXACRUKU-CYUUQNCZSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024380989 800726239 /nfs/dbraw/zinc/72/62/39/800726239.db2.gz UZNGCNLECXJUEE-AWEZNQCLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607515 800731696 /nfs/dbraw/zinc/73/16/96/800731696.db2.gz CVAQBAJVGJNRQI-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745180 800735171 /nfs/dbraw/zinc/73/51/71/800735171.db2.gz PRPCIKYNOIJWLH-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001028114163 800832450 /nfs/dbraw/zinc/83/24/50/800832450.db2.gz CGTHQFFFEPUJQO-CQSZACIVSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033733468 800978171 /nfs/dbraw/zinc/97/81/71/800978171.db2.gz ZITLJZIFJULUSY-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961416 800990889 /nfs/dbraw/zinc/99/08/89/800990889.db2.gz SLPJVAIGLKXSTN-IXDOHACOSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022399 800995668 /nfs/dbraw/zinc/99/56/68/800995668.db2.gz AYIARWUNIMEQNO-QGZVFWFLSA-N 0 3 286.419 3.108 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCCN(CC=C(C)C)C2)C1 ZINC001034386857 801023777 /nfs/dbraw/zinc/02/37/77/801023777.db2.gz GWPDZSHBBLNAEZ-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001034388569 801023884 /nfs/dbraw/zinc/02/38/84/801023884.db2.gz HLMYAHIPAAHPOI-BQFCYCMXSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001039062129 801145900 /nfs/dbraw/zinc/14/59/00/801145900.db2.gz UWTIZTJQFCGZHE-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC001039327327 801157907 /nfs/dbraw/zinc/15/79/07/801157907.db2.gz KCNCFBOYWPCWJD-SJORKVTESA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@H]21 ZINC001042241312 801203439 /nfs/dbraw/zinc/20/34/39/801203439.db2.gz WGSZWCQXEFCLCB-FUHWJXTLSA-N 0 3 296.414 3.052 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(CC)(CC)CC)C[C@@H]21 ZINC001042290529 801203676 /nfs/dbraw/zinc/20/36/76/801203676.db2.gz PVTGHBYFQYDMGL-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C)CCCCC3)C[C@@H]21 ZINC001042217266 801203917 /nfs/dbraw/zinc/20/39/17/801203917.db2.gz WMALXBFLPIPYTB-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 ZINC001042336745 801205228 /nfs/dbraw/zinc/20/52/28/801205228.db2.gz ZJLXYIJRVSVKHX-AEFFLSMTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@@H]21 ZINC001042334870 801205369 /nfs/dbraw/zinc/20/53/69/801205369.db2.gz HWKHOQGSZMKORK-AEFFLSMTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001045445214 801276484 /nfs/dbraw/zinc/27/64/84/801276484.db2.gz ZNUKGZBMIVIAOB-LSDHHAIUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001045605096 801282155 /nfs/dbraw/zinc/28/21/55/801282155.db2.gz FNSSBPPFHKAWTR-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001045643516 801282870 /nfs/dbraw/zinc/28/28/70/801282870.db2.gz JZCHCOGFNXNATB-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(Cl)s2)CC1 ZINC001045635162 801283201 /nfs/dbraw/zinc/28/32/01/801283201.db2.gz UDXSEQXSYRVFCZ-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001045647471 801284834 /nfs/dbraw/zinc/28/48/34/801284834.db2.gz GSFWDCIBUUFASH-ZSHCYNCHSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001046858898 801329954 /nfs/dbraw/zinc/32/99/54/801329954.db2.gz FUYBCSUVFAADCE-IBGZPJMESA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419148 801371644 /nfs/dbraw/zinc/37/16/44/801371644.db2.gz MLHLUNKQVWQYFK-LSDHHAIUSA-N 0 3 292.398 3.035 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049876166 801390811 /nfs/dbraw/zinc/39/08/11/801390811.db2.gz OLXARIRCICERRV-QZTJIDSGSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001049959172 801394520 /nfs/dbraw/zinc/39/45/20/801394520.db2.gz TWLKXQAXLIOVPM-DLBZAZTESA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)c3ccoc3)cc2C1 ZINC001054256387 801481526 /nfs/dbraw/zinc/48/15/26/801481526.db2.gz XWSWBSHSNGQHNI-UHFFFAOYSA-N 0 3 296.370 3.101 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001085461622 801689331 /nfs/dbraw/zinc/68/93/31/801689331.db2.gz KNJSWSRCTCVWFR-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085943324 801712169 /nfs/dbraw/zinc/71/21/69/801712169.db2.gz FGLLXAHAOMUMMX-KRWDZBQOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085945814 801714395 /nfs/dbraw/zinc/71/43/95/801714395.db2.gz RLOFINWVPDSIGQ-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085955212 801714787 /nfs/dbraw/zinc/71/47/87/801714787.db2.gz URHQDYSNDMPADT-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC001086182672 801721672 /nfs/dbraw/zinc/72/16/72/801721672.db2.gz GXVRJPZGOUHSDC-CYUUQNCZSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C=C/C2CC2)C1 ZINC001088284144 801780235 /nfs/dbraw/zinc/78/02/35/801780235.db2.gz WCATVMRCARULOU-HVHJFMEUSA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)[C@H]1C ZINC001088980289 801816583 /nfs/dbraw/zinc/81/65/83/801816583.db2.gz CQCYPHVKXNVXDS-PMPSAXMXSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001099164668 801929609 /nfs/dbraw/zinc/92/96/09/801929609.db2.gz FWUBFNPBQRBTDU-CRAIPNDOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C)c2C)C1 ZINC001099143761 801930968 /nfs/dbraw/zinc/93/09/68/801930968.db2.gz QXFWEKOUGYVKEX-LPHOPBHVSA-N 0 3 298.430 3.074 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001099215480 801934071 /nfs/dbraw/zinc/93/40/71/801934071.db2.gz VDINWXSSUHTHCO-OAHLLOKOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC ZINC001099203749 801934993 /nfs/dbraw/zinc/93/49/93/801934993.db2.gz RHARXFMFZXGJSR-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104245333 802046893 /nfs/dbraw/zinc/04/68/93/802046893.db2.gz BZVRTXVPLVDNNY-UKRRQHHQSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)C)C2 ZINC001111053132 802153965 /nfs/dbraw/zinc/15/39/65/802153965.db2.gz QWAHUOAQMVMHTH-OAGGEKHMSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001111794777 802169274 /nfs/dbraw/zinc/16/92/74/802169274.db2.gz JKXHWYLZWOOIOY-HFTRVMKXSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001112601522 802180307 /nfs/dbraw/zinc/18/03/07/802180307.db2.gz YKXKCJLIKKRWTA-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCC(C)(C)C)CC1 ZINC001113447522 802221695 /nfs/dbraw/zinc/22/16/95/802221695.db2.gz AUGSGKGJBXDIGO-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OCCC)cc1 ZINC001116643532 802391046 /nfs/dbraw/zinc/39/10/46/802391046.db2.gz QWHGHVWQDKWWME-UKRRQHHQSA-N 0 3 263.381 3.327 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001172491009 808351043 /nfs/dbraw/zinc/35/10/43/808351043.db2.gz BNUUNODKOSCJME-DBEXCURXSA-N 0 3 297.446 3.400 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)s1 ZINC001119260117 802640183 /nfs/dbraw/zinc/64/01/83/802640183.db2.gz YEBGDDWHRWWCFH-SJORKVTESA-N 0 3 298.411 3.318 20 30 CGEDHN COc1ccc(CN[C@@H]2CCCc3ncccc32)cc1C#N ZINC001119340007 802650996 /nfs/dbraw/zinc/65/09/96/802650996.db2.gz PUVMPPYNUKRCGS-QGZVFWFLSA-N 0 3 293.370 3.129 20 30 CGEDHN C[C@@H](C(=O)NC(C)(C)C)N(C)CCCCC1(C#N)CCC1 ZINC001119822328 802702084 /nfs/dbraw/zinc/70/20/84/802702084.db2.gz GZFBDTBHKZSCHB-AWEZNQCLSA-N 0 3 293.455 3.086 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CCF)C1 ZINC001120423440 802744594 /nfs/dbraw/zinc/74/45/94/802744594.db2.gz UOAFJZZQIZRENE-CVEARBPZSA-N 0 3 296.430 3.015 20 30 CGEDHN N#CC1(CC(=O)Nc2cccc3c2CNC3)CCCCC1 ZINC001122222106 802863104 /nfs/dbraw/zinc/86/31/04/802863104.db2.gz NNZNCMYRESISIC-UHFFFAOYSA-N 0 3 283.375 3.092 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCCC(C)(C)C)CC[C@@H]1C ZINC001131900346 803355667 /nfs/dbraw/zinc/35/56/67/803355667.db2.gz XCYCLHZJTOIRKQ-LSDHHAIUSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(CC(C)C)CC2)CC[C@@H]1C ZINC001132086958 803372658 /nfs/dbraw/zinc/37/26/58/803372658.db2.gz KYHHJNAXUJHETG-JKSUJKDBSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001132671566 803425669 /nfs/dbraw/zinc/42/56/69/803425669.db2.gz WHCIQQRUCIILHV-KGLIPLIRSA-N 0 3 292.398 3.195 20 30 CGEDHN CCc1cc(-c2ccc3[nH]c(N)nc3c2)ccc1C#N ZINC001244951620 803589383 /nfs/dbraw/zinc/58/93/83/803589383.db2.gz CCUCKNIQTHEMJB-UHFFFAOYSA-N 0 3 262.316 3.246 20 30 CGEDHN CCc1cc(-c2ccc3nc(N)[nH]c3c2)ccc1C#N ZINC001244951620 803589386 /nfs/dbraw/zinc/58/93/86/803589386.db2.gz CCUCKNIQTHEMJB-UHFFFAOYSA-N 0 3 262.316 3.246 20 30 CGEDHN C#CC1CCN(Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138178818 803873510 /nfs/dbraw/zinc/87/35/10/803873510.db2.gz WZONJECYDZEEGZ-UHFFFAOYSA-N 0 3 272.392 3.115 20 30 CGEDHN C#CCOc1ccc(CN2CCCCC23CC3)cc1OC ZINC001138348378 803899382 /nfs/dbraw/zinc/89/93/82/803899382.db2.gz IVGXNVTWYVLARS-UHFFFAOYSA-N 0 3 285.387 3.226 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC001138619573 803982627 /nfs/dbraw/zinc/98/26/27/803982627.db2.gz BWRJPSKOCQYVHN-OAHLLOKOSA-N 0 3 293.370 3.114 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(C)ccc2OCC)C1 ZINC001139604852 804222933 /nfs/dbraw/zinc/22/29/33/804222933.db2.gz OKKSKQFHFHZWGD-HNNXBMFYSA-N 0 3 257.377 3.239 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703023 804258109 /nfs/dbraw/zinc/25/81/09/804258109.db2.gz GYKOUEYIWWGKPL-CYBMUJFWSA-N 0 3 278.359 3.165 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H](C(F)F)C2)cc1C#N ZINC001139726262 804266963 /nfs/dbraw/zinc/26/69/63/804266963.db2.gz CXBYTGWGZWSMLX-CYBMUJFWSA-N 0 3 264.319 3.344 20 30 CGEDHN C=CCn1cc(CN2CC[C@@H](c3cccc(F)c3)C2)cn1 ZINC001139772660 804280370 /nfs/dbraw/zinc/28/03/70/804280370.db2.gz OENMABOKPCAHLE-MRXNPFEDSA-N 0 3 285.366 3.198 20 30 CGEDHN CCCCCCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139852914 804301367 /nfs/dbraw/zinc/30/13/67/804301367.db2.gz ZWNBSWBLRMPYCG-UHFFFAOYSA-N 0 3 287.411 3.269 20 30 CGEDHN CCCCCCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139852914 804301376 /nfs/dbraw/zinc/30/13/76/804301376.db2.gz ZWNBSWBLRMPYCG-UHFFFAOYSA-N 0 3 287.411 3.269 20 30 CGEDHN CCCCCCC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139852914 804301384 /nfs/dbraw/zinc/30/13/84/804301384.db2.gz ZWNBSWBLRMPYCG-UHFFFAOYSA-N 0 3 287.411 3.269 20 30 CGEDHN CCCCCCC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139852914 804301394 /nfs/dbraw/zinc/30/13/94/804301394.db2.gz ZWNBSWBLRMPYCG-UHFFFAOYSA-N 0 3 287.411 3.269 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1(C)CCC(C)CC1 ZINC001139870010 804302150 /nfs/dbraw/zinc/30/21/50/804302150.db2.gz WEQQSTOSZKPDSV-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN N#Cc1cc(F)cc(CN2CC[C@H](c3cccnc3)C2)c1 ZINC001139875415 804305189 /nfs/dbraw/zinc/30/51/89/804305189.db2.gz MDTSLDDRYWGNSF-INIZCTEOSA-N 0 3 281.334 3.082 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1C(F)F ZINC001139874080 804307018 /nfs/dbraw/zinc/30/70/18/804307018.db2.gz MZSXSVJHXHZFDE-UHFFFAOYSA-N 0 3 296.361 3.204 20 30 CGEDHN CCCCCCCCC[C@@H](C)N1CC2(C1)CNCCO2 ZINC001246617652 804452222 /nfs/dbraw/zinc/45/22/22/804452222.db2.gz CYJPHNVOCHPCKI-MRXNPFEDSA-N 0 3 282.472 3.190 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)C2CCC2)CC1 ZINC001165711276 807015651 /nfs/dbraw/zinc/01/56/51/807015651.db2.gz LPAYVEFOMXBQBD-CYBMUJFWSA-N 0 3 298.858 3.051 20 30 CGEDHN N#Cc1ccc2c(CN3CCCC[C@@H](F)C3)c[nH]c2c1 ZINC001142912130 804783910 /nfs/dbraw/zinc/78/39/10/804783910.db2.gz VSOPCMYJQBWVAA-CQSZACIVSA-N 0 3 271.339 3.364 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921203 804784908 /nfs/dbraw/zinc/78/49/08/804784908.db2.gz JOONWFIMFQSVKO-ZDUSSCGKSA-N 0 3 278.359 3.165 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CCC[C@H](C#N)CC1 ZINC001248751690 804983949 /nfs/dbraw/zinc/98/39/49/804983949.db2.gz GOLIFFZATKLBAJ-AWEZNQCLSA-N 0 3 267.376 3.246 20 30 CGEDHN C#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249252721 805121063 /nfs/dbraw/zinc/12/10/63/805121063.db2.gz RXKZRJGYLNGQTG-CQSZACIVSA-N 0 3 297.398 3.422 20 30 CGEDHN C#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249252721 805121067 /nfs/dbraw/zinc/12/10/67/805121067.db2.gz RXKZRJGYLNGQTG-CQSZACIVSA-N 0 3 297.398 3.422 20 30 CGEDHN COC[C@@H]1CCCCN1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426691 805147516 /nfs/dbraw/zinc/14/75/16/805147516.db2.gz CGZHKIXPVYKVDR-INIZCTEOSA-N 0 3 283.375 3.040 20 30 CGEDHN C[C@H](C#N)c1cccc(C(=O)Nc2cnccc2N(C)C)c1 ZINC001148609605 805199685 /nfs/dbraw/zinc/19/96/85/805199685.db2.gz GYOSJQHUWQRSNO-GFCCVEGCSA-N 0 3 294.358 3.027 20 30 CGEDHN COCC[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC001249685031 805211743 /nfs/dbraw/zinc/21/17/43/805211743.db2.gz AULXCQYSOBMPSE-OAHLLOKOSA-N 0 3 276.355 3.088 20 30 CGEDHN N#Cc1ccc(C2CCC(n3ccc(CN)n3)CC2)cc1 ZINC001257010664 807026737 /nfs/dbraw/zinc/02/67/37/807026737.db2.gz FHGDFQONYZJBMZ-UHFFFAOYSA-N 0 3 280.375 3.112 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001167296652 807177492 /nfs/dbraw/zinc/17/74/92/807177492.db2.gz UTSQOGXOMQYJJX-KBPBESRZSA-N 0 3 298.858 3.051 20 30 CGEDHN CCCCC[C@H](C)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001257521361 807193111 /nfs/dbraw/zinc/19/31/11/807193111.db2.gz ZVBUDPJBUZPSGP-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN C=C1C[C@@H]2CC(N3CC4(C3)CCCCO4)C[C@H](C1)C2 ZINC001257892438 807242648 /nfs/dbraw/zinc/24/26/48/807242648.db2.gz YLCOABMAXFYCFI-XYPWUTKMSA-N 0 3 261.409 3.376 20 30 CGEDHN C=C1C[C@@H]2CC(n3c(C)nc4c3CNCC4)C[C@H](C1)C2 ZINC001257895098 807245013 /nfs/dbraw/zinc/24/50/13/807245013.db2.gz IRVSAIVAAVERSI-YIONKMFJSA-N 0 3 271.408 3.145 20 30 CGEDHN Clc1ccc2c(c1)C[C@H](NCC#Cc1ccccc1)CO2 ZINC001257955190 807254712 /nfs/dbraw/zinc/25/47/12/807254712.db2.gz WFAVVIBBQQIYIH-KRWDZBQOSA-N 0 3 297.785 3.285 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)N1CCC[C@H](CC#N)C1 ZINC001168492384 807434935 /nfs/dbraw/zinc/43/49/35/807434935.db2.gz RBPWRLZXYFQAJB-ZIAGYGMSSA-N 0 3 260.356 3.382 20 30 CGEDHN N#CC[C@@H]1CCCN([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168733900 807498011 /nfs/dbraw/zinc/49/80/11/807498011.db2.gz DDRBKMWZNVDSBY-JSGCOSHPSA-N 0 3 274.795 3.433 20 30 CGEDHN C=CCC[C@@H](C)[NH2+]Cc1cc(Cl)c([O-])c(OC)c1 ZINC001258721468 807570336 /nfs/dbraw/zinc/57/03/36/807570336.db2.gz WJBICQXEMRPZHF-SNVBAGLBSA-N 0 3 269.772 3.499 20 30 CGEDHN CN1CC(CNc2ccc(C3(C#N)CCCCC3)cc2)C1 ZINC001170256513 807806362 /nfs/dbraw/zinc/80/63/62/807806362.db2.gz PPEXWFSHSITARU-UHFFFAOYSA-N 0 3 283.419 3.386 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1nccs1 ZINC001263101003 807933300 /nfs/dbraw/zinc/93/33/00/807933300.db2.gz FVSFFQQCCISQBI-ZDUSSCGKSA-N 0 3 297.468 3.179 20 30 CGEDHN CC(=O)c1ccc([C@H](C)NC#C[Si](C)(C)C)cc1 ZINC001171053775 807973854 /nfs/dbraw/zinc/97/38/54/807973854.db2.gz MLYJNCULHHZXFA-LBPRGKRZSA-N 0 3 259.425 3.378 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001263816601 808007913 /nfs/dbraw/zinc/00/79/13/808007913.db2.gz FKCOWVZNGNNKHB-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cc(F)c(F)cc3C2)CCCC1 ZINC001171447881 808060775 /nfs/dbraw/zinc/06/07/75/808060775.db2.gz HVOSJGCKWHGTQP-CQSZACIVSA-N 0 3 290.357 3.496 20 30 CGEDHN N#CCCCN1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001171676841 808119978 /nfs/dbraw/zinc/11/99/78/808119978.db2.gz BXTDEHFSMDZPTM-BRWVUGGUSA-N 0 3 270.376 3.285 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cn(C2CCC2)cn1 ZINC001172299680 808219923 /nfs/dbraw/zinc/21/99/23/808219923.db2.gz MVXSANBOZQLXEY-AWEZNQCLSA-N 0 3 294.402 3.201 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccoc1CCC ZINC001266182927 808223837 /nfs/dbraw/zinc/22/38/37/808223837.db2.gz RXEBMGOQABODFC-LBPRGKRZSA-N 0 3 298.814 3.083 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCCC[C@H](F)C1 ZINC001172316947 808227064 /nfs/dbraw/zinc/22/70/64/808227064.db2.gz YXHNZKBWASXFFI-BBRMVZONSA-N 0 3 260.356 3.313 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(CC[C@@H](C)F)C1 ZINC001266222025 808229619 /nfs/dbraw/zinc/22/96/19/808229619.db2.gz MMWNLHKCHYHGTH-GDBMZVCRSA-N 0 3 296.430 3.084 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1cc(CCC)c(C)s1 ZINC001266357365 808248803 /nfs/dbraw/zinc/24/88/03/808248803.db2.gz VURACBDZKOSNEV-UHFFFAOYSA-N 0 3 294.464 3.247 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001266475186 808272400 /nfs/dbraw/zinc/27/24/00/808272400.db2.gz AZSQZZICKFYUDD-IYBDPMFKSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC(CC)CC ZINC001266857395 808326143 /nfs/dbraw/zinc/32/61/43/808326143.db2.gz LQMTWOSBYOXWIS-MRXNPFEDSA-N 0 3 280.456 3.360 20 30 CGEDHN C[C@@H](CCCC#N)NCc1c(F)ccc(F)c1F ZINC001172479000 808343164 /nfs/dbraw/zinc/34/31/64/808343164.db2.gz GHVKCSFOCZUYSD-VIFPVBQESA-N 0 3 256.271 3.276 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CC1=CCCCC1 ZINC001267123863 808363100 /nfs/dbraw/zinc/36/31/00/808363100.db2.gz XUBXRQQNISOSHA-ZDUSSCGKSA-N 0 3 284.831 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(CC)(CC)CC ZINC001267279783 808403348 /nfs/dbraw/zinc/40/33/48/808403348.db2.gz LCNZCPFMRFOFLG-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C#CCN(CCC)CCNC(=O)C[C@H](C)C1CCCCC1 ZINC001267318656 808413384 /nfs/dbraw/zinc/41/33/84/808413384.db2.gz QDJWATLVEMXLFY-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC001267376786 808422855 /nfs/dbraw/zinc/42/28/55/808422855.db2.gz JGAMNKSOBJGNFC-KSZLIROESA-N 0 3 298.430 3.056 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC001267522427 808439802 /nfs/dbraw/zinc/43/98/02/808439802.db2.gz GDXKEOYARKFZEU-WBVHZDCISA-N 0 3 288.435 3.302 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001267619543 808458346 /nfs/dbraw/zinc/45/83/46/808458346.db2.gz RPCBYOGBHZJSHG-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C)c1ccccc1 ZINC001267716789 808476904 /nfs/dbraw/zinc/47/69/04/808476904.db2.gz NPDLIEAUQNZDLL-OKZBNKHCSA-N 0 3 298.430 3.040 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C[C@H]2C=CCC2)CCCC1 ZINC001268031762 808528636 /nfs/dbraw/zinc/52/86/36/808528636.db2.gz ADZJXCQQIQRHTO-AWEZNQCLSA-N 0 3 296.842 3.114 20 30 CGEDHN CCCC[C@H](CC(C)C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001173255300 808562488 /nfs/dbraw/zinc/56/24/88/808562488.db2.gz HFBLBELTJAHBOY-MJBXVCDLSA-N 0 3 272.433 3.101 20 30 CGEDHN C=CC(C)(C)C(=O)N(CC)CCNCc1csc(C)c1 ZINC001268470053 808591004 /nfs/dbraw/zinc/59/10/04/808591004.db2.gz SHVSEJHQJMILKN-UHFFFAOYSA-N 0 3 294.464 3.207 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1ccsc1 ZINC001268589512 808598994 /nfs/dbraw/zinc/59/89/94/808598994.db2.gz ZZWQZPTVKKAQOQ-FYCOFBDGSA-N 0 3 292.448 3.112 20 30 CGEDHN C=CCC1(C(=O)NC/C=C\CNC/C=C/Cl)CCCC1 ZINC001268631526 808601208 /nfs/dbraw/zinc/60/12/08/808601208.db2.gz BKPHGGVSGMFLAL-GNLLZQBYSA-N 0 3 296.842 3.137 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 ZINC001268922337 808636193 /nfs/dbraw/zinc/63/61/93/808636193.db2.gz NEXKUZIDJLVGMG-SNPRPXQTSA-N 0 3 290.432 3.002 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1CCCC1CCC1 ZINC001269284829 808664371 /nfs/dbraw/zinc/66/43/71/808664371.db2.gz GAXPBJBZIKOOHS-SJLPKXTDSA-N 0 3 292.467 3.360 20 30 CGEDHN CN(C)Cc1ccccc1Nc1csc(C#N)c1 ZINC001173928943 808767819 /nfs/dbraw/zinc/76/78/19/808767819.db2.gz QCLMASUHNYETRP-UHFFFAOYSA-N 0 3 257.362 3.425 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC=CCC1 ZINC001272662769 808819410 /nfs/dbraw/zinc/81/94/10/808819410.db2.gz LLCUNKFHJIDWTI-MRXNPFEDSA-N 0 3 298.430 3.277 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(C)(C)CCC ZINC001272994524 808829894 /nfs/dbraw/zinc/82/98/94/808829894.db2.gz PDVZJZHFKGNUIJ-LBPRGKRZSA-N 0 3 274.836 3.050 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2Cc1scnc1C ZINC001274962451 808895596 /nfs/dbraw/zinc/89/55/96/808895596.db2.gz MHTIUAUEEWNYQC-GASCZTMLSA-N 0 3 291.464 3.066 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC001275671811 808956904 /nfs/dbraw/zinc/95/69/04/808956904.db2.gz DHPBRRNHZXYASK-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN(CC(=O)N(C(C)C)C1CCCC1)C(C)(C)C ZINC001174641124 809114311 /nfs/dbraw/zinc/11/43/11/809114311.db2.gz CFIHCPDCYRMPDC-UHFFFAOYSA-N 0 3 280.456 3.453 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001281542864 809213514 /nfs/dbraw/zinc/21/35/14/809213514.db2.gz XPSBDZIFGOCUBT-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001281572659 809214828 /nfs/dbraw/zinc/21/48/28/809214828.db2.gz ULSWNXUPLCMZOB-CVEARBPZSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCCCC(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001282451675 809248214 /nfs/dbraw/zinc/24/82/14/809248214.db2.gz YIZBVVSQKMEQLV-AWEZNQCLSA-N 0 3 292.398 3.119 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)CCC)[C@H]1C ZINC001284133095 809297746 /nfs/dbraw/zinc/29/77/46/809297746.db2.gz UGRQZNPQDBUAFH-HUUCEWRRSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(CC)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001296778911 809508300 /nfs/dbraw/zinc/50/83/00/809508300.db2.gz JTDXIVNUAFSLDT-QGZVFWFLSA-N 0 3 288.435 3.225 20 30 CGEDHN CCCCCCCC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC001299832705 809557001 /nfs/dbraw/zinc/55/70/01/809557001.db2.gz DZQOGDMCPSXJSH-OAHLLOKOSA-N 0 3 268.445 3.290 20 30 CGEDHN N#Cc1ccc(C(F)(F)F)cc1Nc1ncc[nH]1 ZINC001176084080 809618564 /nfs/dbraw/zinc/61/85/64/809618564.db2.gz IHPXUCBKMBNFMH-UHFFFAOYSA-N 0 3 252.199 3.044 20 30 CGEDHN C#CCN(CCOCC(F)F)[C@H]1CCCc2ccccc21 ZINC001176452999 809700512 /nfs/dbraw/zinc/70/05/12/809700512.db2.gz OXFJSHCPRXNWFX-INIZCTEOSA-N 0 3 293.357 3.281 20 30 CGEDHN C=C[C@@H](COC)NCc1cccc(Oc2ccccn2)c1 ZINC001178536914 809873414 /nfs/dbraw/zinc/87/34/14/809873414.db2.gz DBSNIORJSZFEII-HNNXBMFYSA-N 0 3 284.359 3.165 20 30 CGEDHN C#C[C@H](NCc1cccc2c(OC)cccc12)[C@@H]1CCCO1 ZINC001178528912 809873635 /nfs/dbraw/zinc/87/36/35/809873635.db2.gz SQWCWTHZYKKVHX-HKUYNNGSSA-N 0 3 295.382 3.119 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@](C)(OC)C1CC1 ZINC001180030760 809968755 /nfs/dbraw/zinc/96/87/55/809968755.db2.gz OOPWVNUVMYWWSP-INIZCTEOSA-N 0 3 266.429 3.453 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 ZINC001184749336 810217234 /nfs/dbraw/zinc/21/72/34/810217234.db2.gz GMWWNDHEOXBUIF-UHFFFAOYSA-N 0 3 294.358 3.264 20 30 CGEDHN C=C(C)Cc1ccc(C(=O)N[C@]2(C)CCCN(C)C2)cc1 ZINC001190238589 810613569 /nfs/dbraw/zinc/61/35/69/810613569.db2.gz BQISMJBJQUDTKN-GOSISDBHSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191423191 810713089 /nfs/dbraw/zinc/71/30/89/810713089.db2.gz OKXZRCHOHGUBIH-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191423194 810713202 /nfs/dbraw/zinc/71/32/02/810713202.db2.gz OKXZRCHOHGUBIH-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCN(Cc1ccc2ccccc2n1)CC1CC1 ZINC001192303453 810786667 /nfs/dbraw/zinc/78/66/67/810786667.db2.gz PLNPTFWVDJTXHY-UHFFFAOYSA-N 0 3 250.345 3.080 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1ccc(C)c(F)c1 ZINC001192881376 810826809 /nfs/dbraw/zinc/82/68/09/810826809.db2.gz SMVDZQVVSZCFFX-LSDHHAIUSA-N 0 3 251.345 3.112 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193432072 810887781 /nfs/dbraw/zinc/88/77/81/810887781.db2.gz GSDMWCKGKLXFKZ-LSDHHAIUSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCOC(=O)N(C)C1CCN(C)CC1 ZINC001193986062 810996461 /nfs/dbraw/zinc/99/64/61/810996461.db2.gz ZONHYWNVZMSFGC-UHFFFAOYSA-N 0 3 270.417 3.119 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194190441 811032340 /nfs/dbraw/zinc/03/23/40/811032340.db2.gz DTHILYAMHLMUGI-AWEZNQCLSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCCCN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC001198242066 811485870 /nfs/dbraw/zinc/48/58/70/811485870.db2.gz QGVFHBZINXUBNW-CVEARBPZSA-N 0 3 267.413 3.003 20 30 CGEDHN CCCCCCCN1CCCC[C@@]12CC(=O)N(C)C2 ZINC001201762573 811963639 /nfs/dbraw/zinc/96/36/39/811963639.db2.gz PXUCAFQHIBFGGR-INIZCTEOSA-N 0 3 266.429 3.044 20 30 CGEDHN C=C[C@@H](COC)NC/C=C\c1c(C)cc(C)cc1C ZINC001202093110 812015236 /nfs/dbraw/zinc/01/52/36/812015236.db2.gz QMPMIHIXGIMWLS-PTZVLDCSSA-N 0 3 259.393 3.416 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCC(C)C)C12CCC2 ZINC001202446086 812097468 /nfs/dbraw/zinc/09/74/68/812097468.db2.gz BAMWUHAIGVACGA-ZIAGYGMSSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(CC)CC)C12CCC2 ZINC001202521252 812114355 /nfs/dbraw/zinc/11/43/55/812114355.db2.gz MMKUCKKTFINMHO-KBPBESRZSA-N 0 3 298.858 3.192 20 30 CGEDHN C#CC[C@H](CO)NCc1c(CCCC)oc2ccccc21 ZINC001202537891 812118437 /nfs/dbraw/zinc/11/84/37/812118437.db2.gz YNRVTGFGEDILBD-CQSZACIVSA-N 0 3 285.387 3.249 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC001203283031 812289158 /nfs/dbraw/zinc/28/91/58/812289158.db2.gz NZNWAEGIHATUMF-LBPRGKRZSA-N 0 3 292.338 3.366 20 30 CGEDHN CC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001203904896 812488647 /nfs/dbraw/zinc/48/86/47/812488647.db2.gz IEVQFOVEBFBOFZ-UHFFFAOYSA-N 0 3 266.344 3.286 20 30 CGEDHN CC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001203904896 812488653 /nfs/dbraw/zinc/48/86/53/812488653.db2.gz IEVQFOVEBFBOFZ-UHFFFAOYSA-N 0 3 266.344 3.286 20 30 CGEDHN N#Cc1cccc(C2CCN(Cc3ccncc3)CC2)c1 ZINC001204080377 812543556 /nfs/dbraw/zinc/54/35/56/812543556.db2.gz KAAYMAKUIZRXMY-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(Br)nc1 ZINC001205107873 812868457 /nfs/dbraw/zinc/86/84/57/812868457.db2.gz KEWXFWALLKSPKA-UHFFFAOYSA-N 0 3 269.186 3.242 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(F)c2C)no1 ZINC001206094352 813198436 /nfs/dbraw/zinc/19/84/36/813198436.db2.gz IWWKZMDULZXRKT-UHFFFAOYSA-N 0 3 287.338 3.293 20 30 CGEDHN CC(=O)Nc1ccccc1CNCc1ccc(CC#N)cc1 ZINC001206440696 813322236 /nfs/dbraw/zinc/32/22/36/813322236.db2.gz TZNILPIMHHECMB-UHFFFAOYSA-N 0 3 293.370 3.001 20 30 CGEDHN CC1(C#N)CCN(CCCc2ccccc2F)CC1 ZINC001207494824 813576236 /nfs/dbraw/zinc/57/62/36/813576236.db2.gz LAMDFUBRYVBMRE-UHFFFAOYSA-N 0 3 260.356 3.384 20 30 CGEDHN C#CC1CCN(CCc2ccccc2Br)CC1 ZINC001207534595 813589168 /nfs/dbraw/zinc/58/91/68/813589168.db2.gz XOKBLJRWNBYJCL-UHFFFAOYSA-N 0 3 292.220 3.337 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001208036764 813686972 /nfs/dbraw/zinc/68/69/72/813686972.db2.gz YRLJTUGGQYBECQ-BZUAXINKSA-N 0 3 280.456 3.215 20 30 CGEDHN N#Cc1ccc(CCN(Cc2ccco2)C2CC2)cc1 ZINC001208929226 813904167 /nfs/dbraw/zinc/90/41/67/813904167.db2.gz OGLSUKYLCBCGTB-UHFFFAOYSA-N 0 3 266.344 3.358 20 30 CGEDHN N#CCC1CCN(CCc2cc(F)cc(F)c2)CC1 ZINC001209140805 813946149 /nfs/dbraw/zinc/94/61/49/813946149.db2.gz OJPPIFGPHOEQOJ-UHFFFAOYSA-N 0 3 264.319 3.133 20 30 CGEDHN C=CCCCN1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001209158403 813952280 /nfs/dbraw/zinc/95/22/80/813952280.db2.gz NGWUVEMNTFAKHX-UONOGXRCSA-N 0 3 280.412 3.036 20 30 CGEDHN C=CCCCCN1CCN(Cc2cccc(F)c2)CC1 ZINC001209202960 813966450 /nfs/dbraw/zinc/96/64/50/813966450.db2.gz SHCJRNKAIOFFLM-UHFFFAOYSA-N 0 3 276.399 3.300 20 30 CGEDHN C=CCCCCN1CCN(c2cc(Cl)ccn2)CC1 ZINC001209205240 813966610 /nfs/dbraw/zinc/96/66/10/813966610.db2.gz QQPMWJAGQRKDOK-UHFFFAOYSA-N 0 3 279.815 3.213 20 30 CGEDHN N#C[C@@H]1CCCN(CCc2ccc(F)c(F)c2)CC1 ZINC001209244212 813980615 /nfs/dbraw/zinc/98/06/15/813980615.db2.gz QYEOTVBWGOJKOS-CYBMUJFWSA-N 0 3 264.319 3.133 20 30 CGEDHN C=CCCCCCN1CCN(c2cccc(C#N)c2)CC1 ZINC001209432424 814032901 /nfs/dbraw/zinc/03/29/01/814032901.db2.gz DWUNKWYOXYUDCD-UHFFFAOYSA-N 0 3 283.419 3.427 20 30 CGEDHN C=CCCCCCCCN1CCO[C@@]2(CCOC2)C1 ZINC001209438473 814038606 /nfs/dbraw/zinc/03/86/06/814038606.db2.gz LXQULXAMUZWOTB-INIZCTEOSA-N 0 3 267.413 3.004 20 30 CGEDHN C=CCCCCCCN1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001209438514 814039957 /nfs/dbraw/zinc/03/99/57/814039957.db2.gz MTDPQOQAVKCQAI-QLFBSQMISA-N 0 3 265.397 3.149 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H](CC)C(C)C)[C@@H]2C1 ZINC001221961128 816336376 /nfs/dbraw/zinc/33/63/76/816336376.db2.gz SMPWFKAJXMLRQQ-GVDBMIGSSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C(CC)CC)C[C@@H]21 ZINC001223024340 816553698 /nfs/dbraw/zinc/55/36/98/816553698.db2.gz YRWJOCZXNKTBAD-UAGQMJEPSA-N 0 3 292.467 3.168 20 30 CGEDHN CC(C)(C)[NH+]1CCC(Oc2cccc(/C=N/[O-])c2)CC1 ZINC001226116810 817277273 /nfs/dbraw/zinc/27/72/73/817277273.db2.gz USIDOBVRPFZTMN-SFQUDFHCSA-N 0 3 276.380 3.136 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)Oc1ccnc(N)c1 ZINC001226652303 817424882 /nfs/dbraw/zinc/42/48/82/817424882.db2.gz FLTZWTDVTXIBER-LBPRGKRZSA-N 0 3 270.332 3.369 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cccn2Cc2ccccc2)C1 ZINC001232233739 818288577 /nfs/dbraw/zinc/28/85/77/818288577.db2.gz MOPDYDYOZFIUDL-KRWDZBQOSA-N 0 3 278.399 3.382 20 30 CGEDHN CN(CCN(C)Cc1ccccc1)Cc1ccc(C#N)s1 ZINC001232847543 818454322 /nfs/dbraw/zinc/45/43/22/818454322.db2.gz ZKWPXFPFULVJLH-UHFFFAOYSA-N 0 3 299.443 3.184 20 30 CGEDHN CCCN(Cc1cc(F)ccc1C#N)C1CCOCC1 ZINC001232893937 818467497 /nfs/dbraw/zinc/46/74/97/818467497.db2.gz LLGZFBNVGGLPHG-UHFFFAOYSA-N 0 3 276.355 3.088 20 30 CGEDHN COCC[C@H]1CCCCN1Cc1ccc(C)cc1C#N ZINC001232966284 818485768 /nfs/dbraw/zinc/48/57/68/818485768.db2.gz JTTUKJVJCOYBCS-QGZVFWFLSA-N 0 3 272.392 3.258 20 30 CGEDHN CN(C)c1ccc(CN(C)C[C@H]2CC2(C)C)c(F)c1C#N ZINC001233102058 818521920 /nfs/dbraw/zinc/52/19/20/818521920.db2.gz NDWWBBLEHLRJSX-CYBMUJFWSA-N 0 3 289.398 3.241 20 30 CGEDHN C=CC[N@H+](Cc1ccc([O-])c2[nH]c(=O)ccc12)C(C)(C)C ZINC001233295668 818572170 /nfs/dbraw/zinc/57/21/70/818572170.db2.gz JDHIVSRYNZTTBH-UHFFFAOYSA-N 0 3 286.375 3.433 20 30 CGEDHN C=CC[N@@H+](Cc1ccc([O-])c2[nH]c(=O)ccc12)C(C)(C)C ZINC001233295668 818572174 /nfs/dbraw/zinc/57/21/74/818572174.db2.gz JDHIVSRYNZTTBH-UHFFFAOYSA-N 0 3 286.375 3.433 20 30 CGEDHN C=CCN(Cc1cc(C(=O)OCC)ccn1)C(C)(C)C ZINC001233327612 818579607 /nfs/dbraw/zinc/57/96/07/818579607.db2.gz BIQPBFIWTUUQOS-UHFFFAOYSA-N 0 3 276.380 3.045 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866495 818720599 /nfs/dbraw/zinc/72/05/99/818720599.db2.gz RCJWSRDMOOXIKO-BBRMVZONSA-N 0 3 290.407 3.089 20 30 CGEDHN C#Cc1ccc(O[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC001233968122 818742444 /nfs/dbraw/zinc/74/24/44/818742444.db2.gz UXKKIALSQOAQSS-SFHVURJKSA-N 0 3 292.382 3.106 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001234537299 818876702 /nfs/dbraw/zinc/87/67/02/818876702.db2.gz MLPABYSAQVLDIQ-QWGSZXSUSA-N 0 3 292.467 3.478 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001234624379 818895259 /nfs/dbraw/zinc/89/52/59/818895259.db2.gz BTLPMLZUWXEWDX-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN CC(C)c1c(C#N)cccc1O[C@H]1CN2CCC1CC2 ZINC001234856592 818935939 /nfs/dbraw/zinc/93/59/39/818935939.db2.gz LMTXWRMFBZVDIK-INIZCTEOSA-N 0 3 270.376 3.155 20 30 CGEDHN N#Cc1cnc(-c2cccc(CN3CCCCC3)c2F)cn1 ZINC001236002795 819269392 /nfs/dbraw/zinc/26/93/92/819269392.db2.gz MZPNTFAMBHZIBT-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN CCc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC001236795636 819597968 /nfs/dbraw/zinc/59/79/68/819597968.db2.gz XINWRHSWIJFCIT-AWEZNQCLSA-N 0 3 258.365 3.080 20 30 CGEDHN CCc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC001236795636 819597973 /nfs/dbraw/zinc/59/79/73/819597973.db2.gz XINWRHSWIJFCIT-AWEZNQCLSA-N 0 3 258.365 3.080 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238202132 819956910 /nfs/dbraw/zinc/95/69/10/819956910.db2.gz FAEAQUWRQUIBLR-UHFFFAOYSA-N 0 3 280.375 3.202 20 30 CGEDHN CN(Cc1ccc(-c2ccc(C#N)c(F)c2)nc1)C1CC1 ZINC001240145669 820853440 /nfs/dbraw/zinc/85/34/40/820853440.db2.gz JYZIQMAAYFAVSB-UHFFFAOYSA-N 0 3 281.334 3.354 20 30 CGEDHN CN1CC=C(c2nc3ccccc3cc2CC#N)CC1 ZINC001241312495 821723434 /nfs/dbraw/zinc/72/34/34/821723434.db2.gz CEUYSHBXXNNKKO-UHFFFAOYSA-N 0 3 263.344 3.020 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](CCC)OC ZINC001474327881 937851918 /nfs/dbraw/zinc/85/19/18/937851918.db2.gz KMSIGDYDBMAZAE-KRWDZBQOSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC001339933886 936392108 /nfs/dbraw/zinc/39/21/08/936392108.db2.gz GMEHVIPMUUOSBQ-IAGOWNOFSA-N 0 3 286.419 3.246 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC001341485532 936439626 /nfs/dbraw/zinc/43/96/26/936439626.db2.gz ZMMCGGMMUXJDBB-XIRDDKMYSA-N 0 3 286.419 3.075 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cnccc1C ZINC001341570190 936442564 /nfs/dbraw/zinc/44/25/64/936442564.db2.gz DKQWMYARORWNPZ-AWEZNQCLSA-N 0 3 277.412 3.406 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H](OC)CC1 ZINC001342084672 936458419 /nfs/dbraw/zinc/45/84/19/936458419.db2.gz FERROFUDTBYMMH-HZPDHXFCSA-N 0 3 298.471 3.092 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H](OC)CC1 ZINC001342084671 936458721 /nfs/dbraw/zinc/45/87/21/936458721.db2.gz FERROFUDTBYMMH-HOTGVXAUSA-N 0 3 298.471 3.092 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001342163118 936461304 /nfs/dbraw/zinc/46/13/04/936461304.db2.gz BXVJVNUJUNWNRS-GOEBONIOSA-N 0 3 293.370 3.107 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC001342267866 936464095 /nfs/dbraw/zinc/46/40/95/936464095.db2.gz HPOHEFFHBDWFHK-QWHCGFSZSA-N 0 3 273.380 3.203 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC001342279632 936464163 /nfs/dbraw/zinc/46/41/63/936464163.db2.gz VUCRWHKCJAZQAY-HOCLYGCPSA-N 0 3 293.370 3.107 20 30 CGEDHN N#CC(C(=O)c1ccc2ccccc2n1)c1cccc(F)n1 ZINC001342557964 936469751 /nfs/dbraw/zinc/46/97/51/936469751.db2.gz LBTQURNQTRMNKJ-GFCCVEGCSA-N 0 3 291.285 3.259 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)c1cccnc1 ZINC001343430152 936500664 /nfs/dbraw/zinc/50/06/64/936500664.db2.gz GVZHXXUFRXCPSU-HNNXBMFYSA-N 0 3 277.412 3.122 20 30 CGEDHN N#CC(C(=O)[C@H]1CCC=CCCC1)c1ccccn1 ZINC001343578968 936506810 /nfs/dbraw/zinc/50/68/10/936506810.db2.gz XKCVDIUFBYEXSV-KBPBESRZSA-N 0 3 254.333 3.394 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC(C)(C)C(F)(F)F ZINC001344322276 936529648 /nfs/dbraw/zinc/52/96/48/936529648.db2.gz LHPWGJHELPCGIJ-SECBINFHSA-N 0 3 287.285 3.058 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)Cc1c(C)cc(C)cc1C ZINC001344864378 936546925 /nfs/dbraw/zinc/54/69/25/936546925.db2.gz QJUYVZWPOBROBA-INIZCTEOSA-N 0 3 295.386 3.247 20 30 CGEDHN CCC(C)(C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001344985580 936796233 /nfs/dbraw/zinc/79/62/33/936796233.db2.gz YRPQJDXFTLSAEH-SNVBAGLBSA-N 0 3 266.291 3.362 20 30 CGEDHN Cc1cc(C)c(C(=O)C(C#N)c2ncc(Cl)n2C)s1 ZINC001345643747 936819798 /nfs/dbraw/zinc/81/97/98/936819798.db2.gz UXFPHORDPPYZLK-VIFPVBQESA-N 0 3 293.779 3.242 20 30 CGEDHN N#CC(C(=O)CCc1cccs1)c1cccc(F)n1 ZINC001347125529 936871290 /nfs/dbraw/zinc/87/12/90/936871290.db2.gz WAYDNWAUPPKCPI-LLVKDONJSA-N 0 3 274.320 3.091 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001347813695 936897534 /nfs/dbraw/zinc/89/75/34/936897534.db2.gz MNQQRMONCJVPOT-CQSZACIVSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C[C@H](C(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC001348516224 936924659 /nfs/dbraw/zinc/92/46/59/936924659.db2.gz BQQOHQFYLZNGIU-ROUUACIJSA-N 0 3 298.430 3.089 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2c(cccc2Cl)[nH]1 ZINC001349760955 936961511 /nfs/dbraw/zinc/96/15/11/936961511.db2.gz WQTBYZKVCKTFFV-VPOLOUISSA-N 0 3 299.761 3.439 20 30 CGEDHN C=CCC[C@@H](NCc1cnc(C)o1)[C@@H]1Cc2ccccc2O1 ZINC001349785508 936962481 /nfs/dbraw/zinc/96/24/81/936962481.db2.gz FEIRCRKLTTYPNZ-AEFFLSMTSA-N 0 3 298.386 3.411 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@@H](F)C1 ZINC001352865362 937052111 /nfs/dbraw/zinc/05/21/11/937052111.db2.gz ZJCTWUIYVFICLB-VXGBXAGGSA-N 0 3 250.292 3.068 20 30 CGEDHN C=CCCC[C@H](NC(=O)[C@H](N)CC(F)F)c1ccccc1 ZINC001353146560 937058579 /nfs/dbraw/zinc/05/85/79/937058579.db2.gz PGYBOUSBOQIJTO-KGLIPLIRSA-N 0 3 296.361 3.183 20 30 CGEDHN CC(C)c1ccc(CCN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC001353605919 937072025 /nfs/dbraw/zinc/07/20/25/937072025.db2.gz MQWMYSUPDXYGOR-IRXDYDNUSA-N 0 3 299.462 3.271 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001346096359 926699032 /nfs/dbraw/zinc/69/90/32/926699032.db2.gz PJYHALAPLGKQOE-QWRGUYRKSA-N 0 3 291.782 3.220 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccccc1C ZINC001480993322 926852822 /nfs/dbraw/zinc/85/28/22/926852822.db2.gz VMDXTVWNGFYCPJ-UHFFFAOYSA-N 0 3 288.435 3.145 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CC ZINC001481671933 927051932 /nfs/dbraw/zinc/05/19/32/927051932.db2.gz LCRZDOGWFQZTTN-IKGGRYGDSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CC[C@@H](C(=O)N[C@@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001481709448 927068100 /nfs/dbraw/zinc/06/81/00/927068100.db2.gz FRVIXXPHDUFITR-QZTJIDSGSA-N 0 3 298.430 3.113 20 30 CGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001481778436 927086287 /nfs/dbraw/zinc/08/62/87/927086287.db2.gz MTYBFNBPVJZNCE-IRXDYDNUSA-N 0 3 292.467 3.005 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)c1ccc(C(C)(C)C)s1 ZINC001356577121 927278443 /nfs/dbraw/zinc/27/84/43/927278443.db2.gz CNAQRNXSYYTRFC-SNVBAGLBSA-N 0 3 287.388 3.269 20 30 CGEDHN N#Cc1ccc(Cl)c(OC2CCN(C3CC3)CC2)c1 ZINC001229249400 927327609 /nfs/dbraw/zinc/32/76/09/927327609.db2.gz VOLFVYFPYDYEDE-UHFFFAOYSA-N 0 3 276.767 3.217 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](CCC)C(C)C ZINC001482631959 927333009 /nfs/dbraw/zinc/33/30/09/927333009.db2.gz FCZUOGFHOQGBMZ-OAHLLOKOSA-N 0 3 268.445 3.025 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001483491224 927513240 /nfs/dbraw/zinc/51/32/40/927513240.db2.gz YNUFHXXNPWTISG-WFASDCNBSA-N 0 3 286.847 3.003 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1ccncc1C ZINC001357503410 937173391 /nfs/dbraw/zinc/17/33/91/937173391.db2.gz OTRMSPVSANUTCS-MRXNPFEDSA-N 0 3 291.439 3.084 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001483662417 927562227 /nfs/dbraw/zinc/56/22/27/927562227.db2.gz UYYGTXADRZPBKH-ZBFHGGJFSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001484173487 927682473 /nfs/dbraw/zinc/68/24/73/927682473.db2.gz KDUXFRIWJBAOIQ-FUHWJXTLSA-N 0 3 294.483 3.463 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC2(C)C)cc1 ZINC001484560791 927721644 /nfs/dbraw/zinc/72/16/44/927721644.db2.gz HIYNDCUZYWCROA-PBHICJAKSA-N 0 3 298.430 3.023 20 30 CGEDHN C=C(C)CN1CCc2c(CNC(=O)/C(C)=C\C)cccc2C1 ZINC001484611488 927728438 /nfs/dbraw/zinc/72/84/38/927728438.db2.gz KCQMSUZUBFFUCZ-WCSRMQSCSA-N 0 3 298.430 3.203 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)CCCCCCCC)C[C@@H]1C ZINC001484986022 927779883 /nfs/dbraw/zinc/77/98/83/927779883.db2.gz NWGHQRPXAMDEPP-IRXDYDNUSA-N 0 3 292.467 3.339 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(Cl)[nH]1)C(C)C ZINC001486374998 928015605 /nfs/dbraw/zinc/01/56/05/928015605.db2.gz QGDFCCLJGKPJQE-UHFFFAOYSA-N 0 3 297.830 3.027 20 30 CGEDHN C#CCN(CCCNC(=O)C(C)(C)CC(C)(C)C)C1CC1 ZINC001490392929 928352352 /nfs/dbraw/zinc/35/23/52/928352352.db2.gz JVKYRIGIHKRRAT-UHFFFAOYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)[C@H](C)SC)C1 ZINC001490428393 928362582 /nfs/dbraw/zinc/36/25/82/928362582.db2.gz VUORPFAFPKDTTQ-LSDHHAIUSA-N 0 3 298.496 3.065 20 30 CGEDHN C=CC[C@H](C)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC001307712947 928514188 /nfs/dbraw/zinc/51/41/88/928514188.db2.gz MDKCOIFYFCJXTH-LBPRGKRZSA-N 0 3 299.340 3.187 20 30 CGEDHN CCC#C[C@@H](C)N1CCCc2cc(OC)ccc2C1 ZINC001459436397 937488194 /nfs/dbraw/zinc/48/81/94/937488194.db2.gz HVJPDTXOWKEEIM-CQSZACIVSA-N 0 3 257.377 3.245 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC001460364894 937528253 /nfs/dbraw/zinc/52/82/53/937528253.db2.gz VDSPOSOTOQIVQT-KGLIPLIRSA-N 0 3 267.413 3.395 20 30 CGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccccc1 ZINC001460897459 937551618 /nfs/dbraw/zinc/55/16/18/937551618.db2.gz DFQLETVNYVDWSS-CQSZACIVSA-N 0 3 260.381 3.302 20 30 CGEDHN Cc1cc(Cl)c(C#N)c(O[C@@H]2CCCN(C(C)C)C2)n1 ZINC001230183623 932540160 /nfs/dbraw/zinc/54/01/60/932540160.db2.gz OOEQADLIURRPQD-GFCCVEGCSA-N 0 3 293.798 3.167 20 30 CGEDHN CN1CCC[C@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230632612 932601177 /nfs/dbraw/zinc/60/11/77/932601177.db2.gz LBKOBDJYXIWOQG-AWEZNQCLSA-N 0 3 272.392 3.329 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1cc2ccccc2s1 ZINC001492324336 932815948 /nfs/dbraw/zinc/81/59/48/932815948.db2.gz WNZFSMRCZLFOCY-UHFFFAOYSA-N 0 3 288.416 3.139 20 30 CGEDHN C=CC[C@H](C)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001307468566 932956831 /nfs/dbraw/zinc/95/68/31/932956831.db2.gz AUWBJIBHJFLHDN-WFASDCNBSA-N 0 3 292.810 3.342 20 30 CGEDHN C#CCN(CC)CCOc1cc(Cl)cc(Cl)c1 ZINC001307511574 932963628 /nfs/dbraw/zinc/96/36/28/932963628.db2.gz YDFLECHYEKSZMU-UHFFFAOYSA-N 0 3 272.175 3.327 20 30 CGEDHN CC(C)C[C@@H](C)CN1CCN(c2ccsc2C#N)CC1 ZINC001307928204 933022629 /nfs/dbraw/zinc/02/26/29/933022629.db2.gz WWSQDZHVZHWOII-CQSZACIVSA-N 0 3 291.464 3.424 20 30 CGEDHN C=C[C@H](COC)NCc1cccc(CC2CCC2)c1 ZINC001308379776 933104098 /nfs/dbraw/zinc/10/40/98/933104098.db2.gz DQPAVWRIJIBTFS-QGZVFWFLSA-N 0 3 259.393 3.320 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1OCC ZINC001339986368 933253784 /nfs/dbraw/zinc/25/37/84/933253784.db2.gz PWKQVPSRWSFERR-LBPRGKRZSA-N 0 3 296.798 3.361 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001317081503 933470089 /nfs/dbraw/zinc/47/00/89/933470089.db2.gz QELCCZCYSBAYRU-MRVWCRGKSA-N 0 3 286.847 3.048 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCCC(C)C ZINC001317177915 933546647 /nfs/dbraw/zinc/54/66/47/933546647.db2.gz JWGGSWADDZJJKR-INIZCTEOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)/C=C(\C)CC)c1ccccc1 ZINC001317719235 933637792 /nfs/dbraw/zinc/63/77/92/933637792.db2.gz UHAKZPXGEHNLAZ-JMPLCFMRSA-N 0 3 286.419 3.366 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)CCCC[C@@H](C)CC)C1 ZINC001318407658 933720975 /nfs/dbraw/zinc/72/09/75/933720975.db2.gz SCYXBDCFYZFSRT-IRXDYDNUSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCO[C@@H]1CCN(CCOc2ccc(SC)cc2)C1 ZINC001320320799 934029046 /nfs/dbraw/zinc/02/90/46/934029046.db2.gz JIYWWDKHOBLZHA-OAHLLOKOSA-N 0 3 293.432 3.064 20 30 CGEDHN C=C[C@@H](COC)NCc1cccc(-c2cccnc2)c1 ZINC001321240916 934168215 /nfs/dbraw/zinc/16/82/15/934168215.db2.gz LCAUUCOXRIKAJD-KRWDZBQOSA-N 0 3 268.360 3.039 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CCC(=C)C)CCCC1 ZINC001323369866 934390306 /nfs/dbraw/zinc/39/03/06/934390306.db2.gz DLQHQHCHGBACHN-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)CCCCCC)C1 ZINC001324657919 934542099 /nfs/dbraw/zinc/54/20/99/934542099.db2.gz UPOCDCCTZFCPMK-FUHWJXTLSA-N 0 3 292.467 3.197 20 30 CGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](CC)CCCCC)C1 ZINC001324674476 934546508 /nfs/dbraw/zinc/54/65/08/934546508.db2.gz QIRFMYPFQHQQCP-FUHWJXTLSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cnn(-c2ccccc2)n1 ZINC001473638464 937815311 /nfs/dbraw/zinc/81/53/11/937815311.db2.gz VPSGWOLWHQJMCY-CRAIPNDOSA-N 0 3 296.418 3.492 20 30 CGEDHN CC[C@@H](C)[C@@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC001473641181 937815642 /nfs/dbraw/zinc/81/56/42/937815642.db2.gz OAWWQBPIMUIJSF-CHWSQXEVSA-N 0 3 277.437 3.176 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)CCC2CCCC2)C1 ZINC001328822807 935171753 /nfs/dbraw/zinc/17/17/53/935171753.db2.gz ARRRMFPTLMNYCV-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN CC(CC[NH+](C)C)N=Nc1nc2ccccc2[n-]c1=S ZINC001329557576 935226985 /nfs/dbraw/zinc/22/69/85/935226985.db2.gz PQNWESIOSVENQE-UHFFFAOYSA-N 0 3 289.408 3.032 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](NC/C=C\Cl)C(C)(C)C1 ZINC001332414511 935467706 /nfs/dbraw/zinc/46/77/06/935467706.db2.gz ZLWJPGIOERYHMG-JUBSNLHESA-N 0 3 298.858 3.168 20 30 CGEDHN COC1(CN[C@H](CCC#N)c2ccccc2)CCC1 ZINC001333319677 935525818 /nfs/dbraw/zinc/52/58/18/935525818.db2.gz JQWYJGHOFSEMDC-OAHLLOKOSA-N 0 3 258.365 3.190 20 30 CGEDHN CN(C)c1ccc(/C=C\C=NNC2CCSCC2)cc1 ZINC001336993383 936232038 /nfs/dbraw/zinc/23/20/38/936232038.db2.gz YRHLNYUEFOKIKQ-SDGJVLBASA-N 0 3 289.448 3.237 20 30 CGEDHN C#CC1(NCc2cn(-c3ccccc3F)nc2C)CCCC1 ZINC001474247295 937846539 /nfs/dbraw/zinc/84/65/39/937846539.db2.gz XLKNJJRUKDSOBF-UHFFFAOYSA-N 0 3 297.377 3.355 20 30 CGEDHN Cc1cc(CN(CCO)[C@@H](C)c2ccccc2)ccc1C#N ZINC001474335877 937853013 /nfs/dbraw/zinc/85/30/13/937853013.db2.gz KKCDHMCVGUSYKC-INIZCTEOSA-N 0 3 294.398 3.422 20 30 CGEDHN C#CCCCCCCN1CCN(Cc2ccsc2)CC1 ZINC001474398304 937857538 /nfs/dbraw/zinc/85/75/38/937857538.db2.gz GFGCRPQIJOGCAE-UHFFFAOYSA-N 0 3 290.476 3.449 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CCCCC ZINC001479245283 937918138 /nfs/dbraw/zinc/91/81/38/937918138.db2.gz ZYTFMXJTWMVPHO-RDJZCZTQSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001479270053 937918726 /nfs/dbraw/zinc/91/87/26/937918726.db2.gz KXLXSHIZANQERE-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCCCCN1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001479957298 937929614 /nfs/dbraw/zinc/92/96/14/937929614.db2.gz SDCNDIXFVSXHKH-HNNXBMFYSA-N 0 3 296.430 3.206 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccco2)CC1 ZINC001479990157 937930677 /nfs/dbraw/zinc/93/06/77/937930677.db2.gz RDEKUBXCYGGKAT-UHFFFAOYSA-N 0 3 290.407 3.172 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNC[C@@H](F)CC ZINC001480356252 937937200 /nfs/dbraw/zinc/93/72/00/937937200.db2.gz CFLRNQOJZBNTDM-LSDHHAIUSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)/C(C)=C/CC)C1 ZINC001493939237 937952208 /nfs/dbraw/zinc/95/22/08/937952208.db2.gz KOPSGIBCAHHCNY-AHQMPEJBSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C(CC)CC)C1 ZINC001493937936 937952213 /nfs/dbraw/zinc/95/22/13/937952213.db2.gz BZFPTMCCQZWICJ-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCCCC)C1 ZINC001494329379 937954246 /nfs/dbraw/zinc/95/42/46/937954246.db2.gz VALLFUXSAXXCEO-HNNXBMFYSA-N 0 3 266.429 3.114 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CC2 ZINC001494675068 937955531 /nfs/dbraw/zinc/95/55/31/937955531.db2.gz WZCPUBQQXSFPQX-HRCADAONSA-N 0 3 290.451 3.042 20 30 CGEDHN C=CCCC(=O)NC[C@@H](CC)N[C@H](C)c1ccccc1F ZINC001494950594 937957459 /nfs/dbraw/zinc/95/74/59/937957459.db2.gz OAGIWIKVQAHTAH-ZIAGYGMSSA-N 0 3 292.398 3.337 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@H](C)C2)CCCC1 ZINC001495190569 937958420 /nfs/dbraw/zinc/95/84/20/937958420.db2.gz BGHBNSYXSAPZHO-GXTWGEPZSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)c1ccccc1 ZINC001496831256 937964140 /nfs/dbraw/zinc/96/41/40/937964140.db2.gz LBTVAFXWQBYYON-INIZCTEOSA-N 0 3 288.435 3.147 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001499106911 937972674 /nfs/dbraw/zinc/97/26/74/937972674.db2.gz NHECXBKPTMWQAR-OAHLLOKOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)CC ZINC001499511936 937973696 /nfs/dbraw/zinc/97/36/96/937973696.db2.gz MYLJMCBIDCLZIO-BBWFWOEESA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)CC2=CCCCC2)C1 ZINC001500482258 937977663 /nfs/dbraw/zinc/97/76/63/937977663.db2.gz REZVXMVUCBXYAJ-GOSISDBHSA-N 0 3 290.451 3.281 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNCC(=C)Cl)C1 ZINC001501614676 937980139 /nfs/dbraw/zinc/98/01/39/937980139.db2.gz GRLVKJRLRMYXTK-HOCLYGCPSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCCCN1Cc2ccc(CNC(=O)C3(C)CC3)cc2C1 ZINC001502648085 937982710 /nfs/dbraw/zinc/98/27/10/937982710.db2.gz FFMQAVJVBVMOQS-UHFFFAOYSA-N 0 3 298.430 3.385 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001502823925 937983479 /nfs/dbraw/zinc/98/34/79/937983479.db2.gz QNLMKHGMQZQGBM-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001506733609 937991743 /nfs/dbraw/zinc/99/17/43/937991743.db2.gz ZYNYRXIEWADSOC-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC001514604102 938002192 /nfs/dbraw/zinc/00/21/92/938002192.db2.gz KYEVJNMXBFURNI-QGZVFWFLSA-N 0 3 299.418 3.202 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001520036458 938022727 /nfs/dbraw/zinc/02/27/27/938022727.db2.gz NCEAWOMYSKSTKU-SOUVJXGZSA-N 0 3 285.391 3.296 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC001521216575 938030471 /nfs/dbraw/zinc/03/04/71/938030471.db2.gz IWONBUCYPSXRTN-HOTGVXAUSA-N 0 3 290.382 3.173 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1ccccc1F ZINC001526594961 938056565 /nfs/dbraw/zinc/05/65/65/938056565.db2.gz STNHPQVYMMLOMA-JSGCOSHPSA-N 0 3 299.349 3.097 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCCC1(C)C ZINC001526593684 938056594 /nfs/dbraw/zinc/05/65/94/938056594.db2.gz IUAWGSFGVMHALV-STQMWFEESA-N 0 3 273.380 3.296 20 30 CGEDHN CCc1ccc([C@H]2CCCN(CC#CCOC)C2)cc1 ZINC001559814396 938236445 /nfs/dbraw/zinc/23/64/45/938236445.db2.gz IOVMLYIITTXUJO-SFHVURJKSA-N 0 3 271.404 3.078 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001570218024 960456505 /nfs/dbraw/zinc/45/65/05/960456505.db2.gz IBBHJECXCAWXEZ-MRXNPFEDSA-N 0 3 292.467 3.006 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1oc(C)cc1C)C(C)C ZINC001571610890 960470666 /nfs/dbraw/zinc/47/06/66/960470666.db2.gz FJOJHHWXDBENDE-UHFFFAOYSA-N 0 3 292.423 3.255 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCC1(C)C ZINC001566124589 960894441 /nfs/dbraw/zinc/89/44/41/960894441.db2.gz YXPUOHUEUVBHAM-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CC1(C)CCCC1 ZINC001567214290 961147436 /nfs/dbraw/zinc/14/74/36/961147436.db2.gz PXCHEFCRCHAVJO-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001567379098 961309274 /nfs/dbraw/zinc/30/92/74/961309274.db2.gz NZMMTNLTTCHXBO-HIFRSBDPSA-N 0 3 292.448 3.008 20 30 CGEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001567419839 961325825 /nfs/dbraw/zinc/32/58/25/961325825.db2.gz VOCHWKJYRPYKOI-IAGOWNOFSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN[C@H](CNC(=O)C(C)(C)CCC)c1ccccc1 ZINC001567662792 961375836 /nfs/dbraw/zinc/37/58/36/961375836.db2.gz KAKJMZWXXNFOAJ-MRXNPFEDSA-N 0 3 288.435 3.446 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)C2CCC2)CCCC1 ZINC001568237299 961522342 /nfs/dbraw/zinc/52/23/42/961522342.db2.gz VUOOAQFSCTVDIA-CYBMUJFWSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1sccc1C(C)C ZINC001569152860 961712195 /nfs/dbraw/zinc/71/21/95/961712195.db2.gz KPRFAJDUKQIVKI-LBPRGKRZSA-N 0 3 280.437 3.108 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001569347300 961737168 /nfs/dbraw/zinc/73/71/68/961737168.db2.gz YUXCGXPHKZFNNG-VXGBXAGGSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001570864202 962100857 /nfs/dbraw/zinc/10/08/57/962100857.db2.gz UIGAXZYQQGFEJR-ZDUSSCGKSA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C2(CC=C)CCCC2)CC1 ZINC001571701349 962209217 /nfs/dbraw/zinc/20/92/17/962209217.db2.gz GVDIRXXLHYVWJX-UHFFFAOYSA-N 0 3 288.435 3.057 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)[C@H](C)CC ZINC001573341929 962248571 /nfs/dbraw/zinc/24/85/71/962248571.db2.gz RFLHMEGJPJSDDL-ZIAGYGMSSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)[C@H](C)CC ZINC001573341929 962248591 /nfs/dbraw/zinc/24/85/91/962248591.db2.gz RFLHMEGJPJSDDL-ZIAGYGMSSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)[C@H](C)CC ZINC001573341929 962248608 /nfs/dbraw/zinc/24/86/08/962248608.db2.gz RFLHMEGJPJSDDL-ZIAGYGMSSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)[C@H](C)CC ZINC001573341929 962248626 /nfs/dbraw/zinc/24/86/26/962248626.db2.gz RFLHMEGJPJSDDL-ZIAGYGMSSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)[C@@H](C)CC ZINC001573341927 962252164 /nfs/dbraw/zinc/25/21/64/962252164.db2.gz RFLHMEGJPJSDDL-UONOGXRCSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)[C@@H](C)CC ZINC001573341927 962252181 /nfs/dbraw/zinc/25/21/81/962252181.db2.gz RFLHMEGJPJSDDL-UONOGXRCSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)[C@@H](C)CC ZINC001573341927 962252205 /nfs/dbraw/zinc/25/22/05/962252205.db2.gz RFLHMEGJPJSDDL-UONOGXRCSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)[C@@H](C)CC ZINC001573341927 962252228 /nfs/dbraw/zinc/25/22/28/962252228.db2.gz RFLHMEGJPJSDDL-UONOGXRCSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC001574901503 962328369 /nfs/dbraw/zinc/32/83/69/962328369.db2.gz KLNAQNAUMOCIRR-JKSUJKDBSA-N 0 3 286.419 3.280 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H](N)C[C@H](C)CC ZINC001574927652 962333250 /nfs/dbraw/zinc/33/32/50/962333250.db2.gz RROOMKGAEQPFSI-ZBFHGGJFSA-N 0 3 280.456 3.345 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC001574908142 962335496 /nfs/dbraw/zinc/33/54/96/962335496.db2.gz FPEATBVQLXJDJG-CQSZACIVSA-N 0 3 298.390 3.007 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001574903474 962336566 /nfs/dbraw/zinc/33/65/66/962336566.db2.gz RLGPMURZEUITNY-SOUVJXGZSA-N 0 3 280.456 3.391 20 30 CGEDHN CC1(C)Nc2ccccc2[C@H]1NCC1(CC#N)CC1 ZINC001576493457 962463284 /nfs/dbraw/zinc/46/32/84/962463284.db2.gz OMNUKXPZOMKGDB-CQSZACIVSA-N 0 3 255.365 3.215 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)C(C)(C)C ZINC001577426509 962543691 /nfs/dbraw/zinc/54/36/91/962543691.db2.gz QHJBZCIZXOLXDI-CYBMUJFWSA-N 0 3 256.434 3.321 20 30 CGEDHN CCCCCCCCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001587067879 963170160 /nfs/dbraw/zinc/17/01/60/963170160.db2.gz ZQDADBUIDKEADZ-KRWDZBQOSA-N 0 3 280.456 3.338 20 30 CGEDHN COCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000337438596 214083400 /nfs/dbraw/zinc/08/34/00/214083400.db2.gz XMMJPXDZAPMJIH-LBPRGKRZSA-N 0 3 276.355 3.165 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCS[C@@H](c3ccccc3)C2)C1 ZINC000590161672 346833404 /nfs/dbraw/zinc/83/34/04/346833404.db2.gz GJLRNDFWTMLZMN-FVQBIDKESA-N 0 3 272.417 3.469 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2ccncc2OC)C1 ZINC000651780546 398286596 /nfs/dbraw/zinc/28/65/96/398286596.db2.gz LXLUAXSJRKVWFR-MGPQQGTHSA-N 0 3 260.381 3.486 20 30 CGEDHN C=CCOc1cccc(CN2CCC([C@@H](C)CO)CC2)c1 ZINC000651956449 398312075 /nfs/dbraw/zinc/31/20/75/398312075.db2.gz WXBCDBIYWJVFOL-HNNXBMFYSA-N 0 3 289.419 3.092 20 30 CGEDHN C=CCOc1cccc(CN2CCC([C@H](C)CO)CC2)c1 ZINC000651956450 398312093 /nfs/dbraw/zinc/31/20/93/398312093.db2.gz WXBCDBIYWJVFOL-OAHLLOKOSA-N 0 3 289.419 3.092 20 30 CGEDHN CC[C@H](C[C@@H](C)CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358577779 529420805 /nfs/dbraw/zinc/42/08/05/529420805.db2.gz VGPDTBGGDMWGLH-MBNYWOFBSA-N 0 3 278.371 3.145 20 30 CGEDHN CC(C)(CC#N)CNCc1cccc2cnccc21 ZINC000590970581 346891518 /nfs/dbraw/zinc/89/15/18/346891518.db2.gz NOTNTLXHJOHVQU-UHFFFAOYSA-N 0 3 253.349 3.264 20 30 CGEDHN Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000062051051 119194819 /nfs/dbraw/zinc/19/48/19/119194819.db2.gz BXOCKJUSDSHGBG-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591348835 346916918 /nfs/dbraw/zinc/91/69/18/346916918.db2.gz HLZVNBXTHNWQJC-PIGZYNQJSA-N 0 3 280.375 3.318 20 30 CGEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000358562430 529651669 /nfs/dbraw/zinc/65/16/69/529651669.db2.gz GUNWUAQNDFQDMC-KNXALSJPSA-N 0 3 276.355 3.306 20 30 CGEDHN CC1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000301300828 136429722 /nfs/dbraw/zinc/42/97/22/136429722.db2.gz QYTZCONWCSLZIV-UHFFFAOYSA-N 0 3 283.419 3.259 20 30 CGEDHN CC[C@H](NCc1ccc(CO)cc1)c1ccc(C#N)cc1 ZINC000592393180 346982420 /nfs/dbraw/zinc/98/24/20/346982420.db2.gz RKZJJFQLMHTDOF-SFHVURJKSA-N 0 3 280.371 3.291 20 30 CGEDHN CN(CCC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000592524555 346995451 /nfs/dbraw/zinc/99/54/51/346995451.db2.gz YFSKULFLWVKCCR-UHFFFAOYSA-N 0 3 270.380 3.074 20 30 CGEDHN N#Cc1ccc2ncc(CN3CCCC[C@@H]3C3CCC3)n2c1 ZINC000592527134 346996285 /nfs/dbraw/zinc/99/62/85/346996285.db2.gz DHKVBOHDTSUQAV-QGZVFWFLSA-N 0 3 294.402 3.361 20 30 CGEDHN Cc1ccc(CN(CC(C)C)C(=O)C(C)C#N)c(C)c1 ZINC000592824685 347017952 /nfs/dbraw/zinc/01/79/52/347017952.db2.gz QSPDTUKSJWHVQB-HNNXBMFYSA-N 0 3 272.392 3.448 20 30 CGEDHN COc1ccc(-c2cccc(OCCN(C)C)c2)cc1C#N ZINC000592982746 347022574 /nfs/dbraw/zinc/02/25/74/347022574.db2.gz BIEXWXDDRNETHE-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C[C@]1(c2cccc(F)c2)CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000593040842 347031003 /nfs/dbraw/zinc/03/10/03/347031003.db2.gz MPSAELIJPNFXPZ-JQFCIGGWSA-N 0 3 272.367 3.481 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCC(O)CC3)CC2)s1 ZINC000295097950 199343882 /nfs/dbraw/zinc/34/38/82/199343882.db2.gz KAKMEEDAWHQHLC-UHFFFAOYSA-N 0 3 290.432 3.137 20 30 CGEDHN CCCN(CC(=O)N(CC)CCC#N)CC1CCCCC1 ZINC000060495262 345217466 /nfs/dbraw/zinc/21/74/66/345217466.db2.gz DHCPMAFNWKNNKS-UHFFFAOYSA-N 0 3 293.455 3.041 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000068765868 345361975 /nfs/dbraw/zinc/36/19/75/345361975.db2.gz DHSWLXFQDQLBDL-HOCLYGCPSA-N 0 3 255.365 3.108 20 30 CGEDHN CC(C(=O)Nc1sc2c(c1C#N)CCC2)C(F)(F)F ZINC000073851371 345452757 /nfs/dbraw/zinc/45/27/57/345452757.db2.gz YZCGUGZWYQSXMF-LURJTMIESA-N 0 3 288.294 3.245 20 30 CGEDHN C[C@H]1CCCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075744537 345520934 /nfs/dbraw/zinc/52/09/34/345520934.db2.gz ACOJRBYUHZEAIS-ZDUSSCGKSA-N 0 3 296.374 3.373 20 30 CGEDHN CC(C)[C@@H](CNc1snc(Cl)c1C#N)N1CCCC1 ZINC000092585048 345846913 /nfs/dbraw/zinc/84/69/13/345846913.db2.gz MTFAJBMDPHZCCT-LLVKDONJSA-N 0 3 298.843 3.200 20 30 CGEDHN N#Cc1ccncc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000094131893 345896236 /nfs/dbraw/zinc/89/62/36/345896236.db2.gz RGDDZWPOKOFVAG-SFHVURJKSA-N 0 3 292.386 3.202 20 30 CGEDHN CC(C)[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093444074 345878369 /nfs/dbraw/zinc/87/83/69/345878369.db2.gz QCTAIUWHCQZFNN-MRXNPFEDSA-N 0 3 282.391 3.216 20 30 CGEDHN COC[C@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000135273146 346086919 /nfs/dbraw/zinc/08/69/19/346086919.db2.gz HBNBCFDWFXAVRH-OAHLLOKOSA-N 0 3 272.392 3.099 20 30 CGEDHN CN(Cc1cc(C#N)ccc1F)C1Cc2ccccc2C1 ZINC000141190991 346107634 /nfs/dbraw/zinc/10/76/34/346107634.db2.gz FFHIIZSKABYSHP-UHFFFAOYSA-N 0 3 280.346 3.297 20 30 CGEDHN C[C@@H]1C[C@@H](C)CN(Cc2cn3ccccc3c2C#N)C1 ZINC000141201126 346107865 /nfs/dbraw/zinc/10/78/65/346107865.db2.gz PSIJQXWIWJIBPK-ZIAGYGMSSA-N 0 3 267.376 3.289 20 30 CGEDHN N#Cc1ccc(OCCNC/C=C\c2ccccc2)cc1 ZINC000255387724 346397112 /nfs/dbraw/zinc/39/71/12/346397112.db2.gz GMVNEUVGEGSJHT-DAXSKMNVSA-N 0 3 278.355 3.240 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccc(-c2cc[nH]n2)o1 ZINC000342274980 346504967 /nfs/dbraw/zinc/50/49/67/346504967.db2.gz IRCSITHLGWHCFD-UHFFFAOYSA-N 0 3 272.352 3.089 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337488784 346499298 /nfs/dbraw/zinc/49/92/98/346499298.db2.gz BWJKJLPJGCPBJJ-DZGCQCFKSA-N 0 3 290.407 3.225 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)cc1)C(C)(C)C ZINC000382471061 346560225 /nfs/dbraw/zinc/56/02/25/346560225.db2.gz BLWMAJIAQNNBBR-UHFFFAOYSA-N 0 3 261.365 3.260 20 30 CGEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCCC2)cc1 ZINC000593653617 347100068 /nfs/dbraw/zinc/10/00/68/347100068.db2.gz SKMXQROYSGSJIO-CQSZACIVSA-N 0 3 272.392 3.300 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCCC2)C12CCC2 ZINC000593653767 347100132 /nfs/dbraw/zinc/10/01/32/347100132.db2.gz WQPPVCFQXDBIJS-UONOGXRCSA-N 0 3 262.397 3.008 20 30 CGEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCCC2)C12CCC2 ZINC000593653759 347100180 /nfs/dbraw/zinc/10/01/80/347100180.db2.gz WQPPVCFQXDBIJS-KBPBESRZSA-N 0 3 262.397 3.008 20 30 CGEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)[C@@H](CC)CO1 ZINC000403870161 346598309 /nfs/dbraw/zinc/59/83/09/346598309.db2.gz LCDLQSQXVVVAEP-UONOGXRCSA-N 0 3 252.402 3.206 20 30 CGEDHN CC[C@@H]1CO[C@@H](CC)CN1CCCC(C)(C)C#N ZINC000403870159 346598447 /nfs/dbraw/zinc/59/84/47/346598447.db2.gz LCDLQSQXVVVAEP-KGLIPLIRSA-N 0 3 252.402 3.206 20 30 CGEDHN N#CC1(CN[C@H]2CCc3ccccc3C2)CCCC1 ZINC000405166350 346602608 /nfs/dbraw/zinc/60/26/08/346602608.db2.gz UDRVYOOLBCRAKG-INIZCTEOSA-N 0 3 254.377 3.217 20 30 CGEDHN C=CCCC[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000556415492 346656982 /nfs/dbraw/zinc/65/69/82/346656982.db2.gz PZYNESCZPDGUJV-AWEZNQCLSA-N 0 3 257.381 3.477 20 30 CGEDHN COc1cc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)ccn1 ZINC000585726475 346727793 /nfs/dbraw/zinc/72/77/93/346727793.db2.gz CHFJLDBJJGSFQJ-SJKOYZFVSA-N 0 3 293.370 3.300 20 30 CGEDHN N#C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000585717917 346727171 /nfs/dbraw/zinc/72/71/71/346727171.db2.gz XCLZBLGMOKHSJB-CVEARBPZSA-N 0 3 289.810 3.075 20 30 CGEDHN C[C@@H](COCC1CC1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000593719779 347107415 /nfs/dbraw/zinc/10/74/15/347107415.db2.gz RHIPWPNACFAWDK-UGSOOPFHSA-N 0 3 284.403 3.340 20 30 CGEDHN CC[C@@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCOC1 ZINC000589512861 346798797 /nfs/dbraw/zinc/79/87/97/346798797.db2.gz MBQGHKUMFMIQNZ-CQSZACIVSA-N 0 3 298.308 3.236 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)cn2)CCc2ccccc21 ZINC000594014715 347137446 /nfs/dbraw/zinc/13/74/46/347137446.db2.gz JEWDAOGTCCGWFI-AWEZNQCLSA-N 0 3 277.371 3.115 20 30 CGEDHN CN(Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CC[C@@H](C#N)C1 ZINC000594035709 347141651 /nfs/dbraw/zinc/14/16/51/347141651.db2.gz SZSRAULEPLZBAI-PWSUYJOCSA-N 0 3 294.301 3.132 20 30 CGEDHN C[C@H](NC[C@H](C#N)CCC#N)C1CCC(F)(F)CC1 ZINC000594043110 347143207 /nfs/dbraw/zinc/14/32/07/347143207.db2.gz GBXQRBCNGRIWEF-RYUDHWBXSA-N 0 3 269.339 3.234 20 30 CGEDHN N#CCCCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000593963939 347124776 /nfs/dbraw/zinc/12/47/76/347124776.db2.gz ATMFCJBJHXNOCC-INIZCTEOSA-N 0 3 297.402 3.082 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCCC#N)C1 ZINC000593967740 347125246 /nfs/dbraw/zinc/12/52/46/347125246.db2.gz XNLZYNONPINGRF-DOTOQJQBSA-N 0 3 299.418 3.022 20 30 CGEDHN Cc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594495655 347178455 /nfs/dbraw/zinc/17/84/55/347178455.db2.gz RYSNSXWVHHOKTQ-UHFFFAOYSA-N 0 3 279.387 3.481 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCc2cccc(O)c2)cc1 ZINC000594502835 347180739 /nfs/dbraw/zinc/18/07/39/347180739.db2.gz QNPGOTNBKHRJHM-UHFFFAOYSA-N 0 3 280.371 3.483 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCc2ccc(O)cc2)cc1 ZINC000594503522 347180752 /nfs/dbraw/zinc/18/07/52/347180752.db2.gz XFZUJUZSKCLJDO-UHFFFAOYSA-N 0 3 280.371 3.483 20 30 CGEDHN C[C@@H](NC[C@@]1(C)CC1(F)F)c1cccc(C#N)c1 ZINC000594732669 347214156 /nfs/dbraw/zinc/21/41/56/347214156.db2.gz WIRCANYHMUZONO-ZWNOBZJWSA-N 0 3 250.292 3.254 20 30 CGEDHN Cc1sccc1CNCCOc1ccc(C#N)cc1 ZINC000339279227 215063045 /nfs/dbraw/zinc/06/30/45/215063045.db2.gz ADJBGUAFYWHVEB-UHFFFAOYSA-N 0 3 272.373 3.097 20 30 CGEDHN CO[C@H](CNCc1cccc(C#N)c1)C1CCCCC1 ZINC000594997589 347252313 /nfs/dbraw/zinc/25/23/13/347252313.db2.gz NPPYKGLZPJYKLD-QGZVFWFLSA-N 0 3 272.392 3.243 20 30 CGEDHN CCC[C@H](CNCc1ccc(C2(C#N)CC2)cc1)OC ZINC000594942988 347237100 /nfs/dbraw/zinc/23/71/00/347237100.db2.gz FQDJKTVEOBOXHE-MRXNPFEDSA-N 0 3 272.392 3.146 20 30 CGEDHN CC1(C)CC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594948235 347238791 /nfs/dbraw/zinc/23/87/91/347238791.db2.gz XYCMHCRCXZPQEA-MRXNPFEDSA-N 0 3 284.403 3.289 20 30 CGEDHN C=CCCSCCNCc1c(C)cc(OC)nc1C ZINC000594960603 347241453 /nfs/dbraw/zinc/24/14/53/347241453.db2.gz VPUOHTXTOOFWSK-UHFFFAOYSA-N 0 3 280.437 3.106 20 30 CGEDHN C=CCCSCCNCc1c[nH]nc1-c1ccc(C)o1 ZINC000594959936 347241700 /nfs/dbraw/zinc/24/17/00/347241700.db2.gz GMDXIGCVPPTQBA-UHFFFAOYSA-N 0 3 291.420 3.377 20 30 CGEDHN CCn1cc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594960956 347242466 /nfs/dbraw/zinc/24/24/66/347242466.db2.gz UXOIXRWUUYSVOP-AWEZNQCLSA-N 0 3 294.402 3.309 20 30 CGEDHN C[C@@H]1N(C(=O)[C@H](N)CCCCC#N)c2ccccc2C1(C)C ZINC000595258171 347286754 /nfs/dbraw/zinc/28/67/54/347286754.db2.gz RKKCHSBGEFGXLZ-DZGCQCFKSA-N 0 3 299.418 3.111 20 30 CGEDHN CC(C)(C)OC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595343690 347294790 /nfs/dbraw/zinc/29/47/90/347294790.db2.gz IFYCLIVUSUKONE-UHFFFAOYSA-N 0 3 286.419 3.380 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595415417 347300234 /nfs/dbraw/zinc/30/02/34/347300234.db2.gz RFCGZFKBSMBIMM-BLLLJJGKSA-N 0 3 258.365 3.024 20 30 CGEDHN CC[C@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000595056167 347271529 /nfs/dbraw/zinc/27/15/29/347271529.db2.gz BNHDZXQBWYJLAQ-SUMWQHHRSA-N 0 3 272.392 3.414 20 30 CGEDHN C[C@@H]1CCC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)O1 ZINC000595076143 347277986 /nfs/dbraw/zinc/27/79/86/347277986.db2.gz FMOAZXXROHTGHY-SRCQZFHVSA-N 0 3 270.376 3.093 20 30 CGEDHN N#C[C@@H]1CC[C@H](NC[C@H](OC2CCCC2)C(F)(F)F)C1 ZINC000595074695 347278278 /nfs/dbraw/zinc/27/82/78/347278278.db2.gz UEFHTRJFDFXTCN-MDZLAQPJSA-N 0 3 290.329 3.158 20 30 CGEDHN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1ccc(C#N)cc1F ZINC000595078810 347278904 /nfs/dbraw/zinc/27/89/04/347278904.db2.gz GCTIXOOQARZHJV-MBNYWOFBSA-N 0 3 276.355 3.306 20 30 CGEDHN N#CC1(CNC2CCN(c3ccccn3)CC2)CCCCC1 ZINC000595090523 347280569 /nfs/dbraw/zinc/28/05/69/347280569.db2.gz HBVTUVQBJMNJKU-UHFFFAOYSA-N 0 3 298.434 3.114 20 30 CGEDHN N#CC1(CNC2Cc3ccccc3C2)CCCCC1 ZINC000595090155 347280647 /nfs/dbraw/zinc/28/06/47/347280647.db2.gz DKHGEWIPZSYICZ-UHFFFAOYSA-N 0 3 254.377 3.217 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccoc1C(=O)OC ZINC000595602452 347324278 /nfs/dbraw/zinc/32/42/78/347324278.db2.gz IVXJYYMPWFTEAZ-JSGCOSHPSA-N 0 3 277.364 3.291 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595613422 347327097 /nfs/dbraw/zinc/32/70/97/347327097.db2.gz COIFQURFGKVIPW-HIFRSBDPSA-N 0 3 253.349 3.245 20 30 CGEDHN CC1(C)C[C@@H](N(CCCC#N)Cc2ccccc2)CO1 ZINC000595636799 347331099 /nfs/dbraw/zinc/33/10/99/347331099.db2.gz JROGNZZHUINIFE-MRXNPFEDSA-N 0 3 272.392 3.360 20 30 CGEDHN COc1ccc2c(c1)CCN(CCCC(C)(C)C#N)C2 ZINC000595760745 347352834 /nfs/dbraw/zinc/35/28/34/347352834.db2.gz XJFVZAIINWAFEO-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN CCc1ccc([C@@H](COC)NCCc2ccc(C#N)cc2)o1 ZINC000595433588 347302921 /nfs/dbraw/zinc/30/29/21/347302921.db2.gz YAIUPJLOKUSFSM-QGZVFWFLSA-N 0 3 298.386 3.233 20 30 CGEDHN Cc1cnc([C@H](C)NCCc2ccc(C#N)cc2)s1 ZINC000595439301 347303640 /nfs/dbraw/zinc/30/36/40/347303640.db2.gz WZHVPZYTBGRBQZ-LBPRGKRZSA-N 0 3 271.389 3.217 20 30 CGEDHN N#Cc1ccc(CCN2CCC=C(c3ccccn3)C2)cc1 ZINC000595503139 347312230 /nfs/dbraw/zinc/31/22/30/347312230.db2.gz XMRRIEWXGMISHU-UHFFFAOYSA-N 0 3 289.382 3.285 20 30 CGEDHN Cc1ccoc1CN(C)CCc1ccc(C#N)cc1 ZINC000595509526 347313532 /nfs/dbraw/zinc/31/35/32/347313532.db2.gz GVMDWTWNQBQIKN-UHFFFAOYSA-N 0 3 254.333 3.134 20 30 CGEDHN CCC(C)(C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595560202 347319828 /nfs/dbraw/zinc/31/98/28/347319828.db2.gz JQRPOHGCZNHKRB-MRXNPFEDSA-N 0 3 271.408 3.057 20 30 CGEDHN N#Cc1ccc(NC(=O)CN(CCC2CC2)CC2CC2)cc1 ZINC000595871029 347369194 /nfs/dbraw/zinc/36/91/94/347369194.db2.gz JXKPDMAMMYWRKV-UHFFFAOYSA-N 0 3 297.402 3.009 20 30 CGEDHN CC[C@@H](Cc1ccc(Br)cc1)NCCC#N ZINC000596065664 347378875 /nfs/dbraw/zinc/37/88/75/347378875.db2.gz IYNOAIGVOJFLND-ZDUSSCGKSA-N 0 3 281.197 3.273 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012963 347527828 /nfs/dbraw/zinc/52/78/28/347527828.db2.gz GDQYZOOWYSFSCV-HOTGVXAUSA-N 0 3 297.446 3.156 20 30 CGEDHN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000597883186 347598776 /nfs/dbraw/zinc/59/87/76/347598776.db2.gz CVXSIQDVMRSFDZ-KBPBESRZSA-N 0 3 256.349 3.127 20 30 CGEDHN N#Cc1sccc1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000597182948 347546372 /nfs/dbraw/zinc/54/63/72/347546372.db2.gz FXAYPLYYNRUXQU-CQSZACIVSA-N 0 3 287.432 3.098 20 30 CGEDHN COc1ccc(CNCC(C)(C)CC#N)cc1OC1CC1 ZINC000598982379 347703607 /nfs/dbraw/zinc/70/36/07/347703607.db2.gz XEFRQDBQRKSJSA-UHFFFAOYSA-N 0 3 288.391 3.266 20 30 CGEDHN CC1(C)CCC[C@@](CO)(NCc2ccc(C#N)cc2F)C1 ZINC000598995106 347704673 /nfs/dbraw/zinc/70/46/73/347704673.db2.gz QJCDSCSAMQCHLT-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599084948 347715793 /nfs/dbraw/zinc/71/57/93/347715793.db2.gz GONSPFILBUYUAD-YTQUADARSA-N 0 3 296.414 3.483 20 30 CGEDHN CN(C[C@H]1CC1(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000598550663 347664487 /nfs/dbraw/zinc/66/44/87/347664487.db2.gz MOZNSRRYNDFQKF-HZPDHXFCSA-N 0 3 284.403 3.263 20 30 CGEDHN CCC(CC)(CNC(=O)C(C)C#N)c1ccc(F)cc1 ZINC000598581142 347666297 /nfs/dbraw/zinc/66/62/97/347666297.db2.gz BZEWPFZBFXIAAM-LBPRGKRZSA-N 0 3 276.355 3.159 20 30 CGEDHN CCOc1cccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598602142 347669874 /nfs/dbraw/zinc/66/98/74/347669874.db2.gz LFRLFVJFQNWXAA-ZFWWWQNUSA-N 0 3 290.407 3.037 20 30 CGEDHN CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598602189 347669881 /nfs/dbraw/zinc/66/98/81/347669881.db2.gz LOISIOAFEKVLQJ-IUODEOHRSA-N 0 3 296.361 3.306 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000598609232 347670555 /nfs/dbraw/zinc/67/05/55/347670555.db2.gz WHFFWMUQJZIPNJ-OCCSQVGLSA-N 0 3 286.375 3.384 20 30 CGEDHN CC(C)(C#N)CCCCN1CCc2c(O)cccc2C1 ZINC000599648298 347761689 /nfs/dbraw/zinc/76/16/89/347761689.db2.gz WPTRXOZPRGYYEC-UHFFFAOYSA-N 0 3 272.392 3.470 20 30 CGEDHN CC(C)(C#N)CCN1CCc2c(CC#N)cccc2C1 ZINC000599677806 347764960 /nfs/dbraw/zinc/76/49/60/347764960.db2.gz OHVSQLJUVFVFPZ-UHFFFAOYSA-N 0 3 267.376 3.051 20 30 CGEDHN COc1ccc([C@@H]2CCN([C@H]3CC[C@H](C#N)C3)C2)cc1F ZINC000599681208 347765293 /nfs/dbraw/zinc/76/52/93/347765293.db2.gz XALGEPQKVWFJKN-CFVMTHIKSA-N 0 3 288.366 3.316 20 30 CGEDHN COc1ccc([C@@H]2CCN([C@H]3CC[C@@H](C#N)C3)C2)cc1F ZINC000599681210 347766219 /nfs/dbraw/zinc/76/62/19/347766219.db2.gz XALGEPQKVWFJKN-YUELXQCFSA-N 0 3 288.366 3.316 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1C#N ZINC000599291833 347732650 /nfs/dbraw/zinc/73/26/50/347732650.db2.gz SEQDMIVMBFVTCU-OAHLLOKOSA-N 0 3 266.344 3.449 20 30 CGEDHN Cc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1C#N ZINC000599355615 347738882 /nfs/dbraw/zinc/73/88/82/347738882.db2.gz CDPDXHZQCWWLTJ-IBGZPJMESA-N 0 3 294.398 3.470 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(C)c(C#N)c1 ZINC000599437715 347745469 /nfs/dbraw/zinc/74/54/69/347745469.db2.gz KQOMOPXXEOYQOR-MOPGFXCFSA-N 0 3 292.382 3.269 20 30 CGEDHN CC(C)[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000599465758 347746762 /nfs/dbraw/zinc/74/67/62/347746762.db2.gz QITLODDGUGZISW-XJKSGUPXSA-N 0 3 290.382 3.167 20 30 CGEDHN COc1cc(CN2CCCC3(CC3)CC2)ccc1C#N ZINC000600216319 347794613 /nfs/dbraw/zinc/79/46/13/347794613.db2.gz YBNKZNPZKUAHQC-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN N#Cc1cc(-c2ccc(C3CC[NH2+]CC3)cc2)ccc1[O-] ZINC000600780291 347834559 /nfs/dbraw/zinc/83/45/59/347834559.db2.gz QDHRCLRCDLLXKO-UHFFFAOYSA-N 0 3 278.355 3.398 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)CC2 ZINC000601306708 347890645 /nfs/dbraw/zinc/89/06/45/347890645.db2.gz PABSINUEIUXNQV-FRRDWIJNSA-N 0 3 266.266 3.086 20 30 CGEDHN N#Cc1c(F)cccc1CNCC1CCC(C#N)CC1 ZINC000602018307 347933131 /nfs/dbraw/zinc/93/31/31/347933131.db2.gz XCKDWFNDFNFFBA-UHFFFAOYSA-N 0 3 271.339 3.117 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H](C1CCC1)[C@H]1CCCO1 ZINC000602016524 347933516 /nfs/dbraw/zinc/93/35/16/347933516.db2.gz FLJHOMDZBMGJBM-IAGOWNOFSA-N 0 3 288.366 3.135 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@H]1CC12CCSCC2 ZINC000602022610 347933833 /nfs/dbraw/zinc/93/38/33/347933833.db2.gz ZRNSVTYZGMJDSZ-CYBMUJFWSA-N 0 3 290.407 3.320 20 30 CGEDHN CCCN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602434692 347957040 /nfs/dbraw/zinc/95/70/40/347957040.db2.gz QOCHMHFTWLVNGV-UHFFFAOYSA-N 0 3 265.360 3.365 20 30 CGEDHN CC(C)(C)CN(CCC#N)CC1CCSCC1 ZINC000602464074 347961846 /nfs/dbraw/zinc/96/18/46/347961846.db2.gz BLNBGKAWDDZNCV-UHFFFAOYSA-N 0 3 254.443 3.391 20 30 CGEDHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cccc(C#N)n1 ZINC000602473185 347963658 /nfs/dbraw/zinc/96/36/58/347963658.db2.gz LNQCXSLLUMWZGL-ZBFHGGJFSA-N 0 3 277.371 3.331 20 30 CGEDHN C[C@H](CCC#N)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000602475533 347965011 /nfs/dbraw/zinc/96/50/11/347965011.db2.gz KSXUJGRDBDKTBS-BFYDXBDKSA-N 0 3 272.392 3.388 20 30 CGEDHN CCC[C@@H](C)[C@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602486979 347967779 /nfs/dbraw/zinc/96/77/79/347967779.db2.gz XQBRIFISKLQUQF-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN COc1ccc(CN(C)C)cc1NC[C@@H](C)CCC#N ZINC000602491246 347968839 /nfs/dbraw/zinc/96/88/39/347968839.db2.gz ICYCOKSXWFWLQA-ZDUSSCGKSA-N 0 3 275.396 3.109 20 30 CGEDHN CC[C@H](C)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000602535674 347977243 /nfs/dbraw/zinc/97/72/43/347977243.db2.gz WVNSQFKVPPEVTK-SWLSCSKDSA-N 0 3 273.380 3.160 20 30 CGEDHN C[C@@H](OCCCNCc1cccc(C#N)n1)c1ccccc1 ZINC000602510169 347972602 /nfs/dbraw/zinc/97/26/02/347972602.db2.gz DNIWFQOCPOHAEV-OAHLLOKOSA-N 0 3 295.386 3.211 20 30 CGEDHN Cc1cccc2[nH]c(CNC3CCC(C#N)CC3)nc21 ZINC000602578766 347987455 /nfs/dbraw/zinc/98/74/55/347987455.db2.gz GFMNUJGBKGUMMJ-UHFFFAOYSA-N 0 3 268.364 3.043 20 30 CGEDHN CC(C)[C@@H](NC[C@H](C)CCC#N)c1nc(C2CC2)no1 ZINC000602593539 347990260 /nfs/dbraw/zinc/99/02/60/347990260.db2.gz JBCUAAJCIVRYKM-DGCLKSJQSA-N 0 3 276.384 3.174 20 30 CGEDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)NCC2(C#N)CC2)cc1 ZINC000602644147 348000045 /nfs/dbraw/zinc/00/00/45/348000045.db2.gz VQNPFOWWSXOONY-APHBMKBZSA-N 0 3 270.376 3.081 20 30 CGEDHN CCOCC(C)(C)NCc1ccc(C#N)cc1Cl ZINC000339370366 215128771 /nfs/dbraw/zinc/12/87/71/215128771.db2.gz VJSMCGHCHYRPHH-UHFFFAOYSA-N 0 3 266.772 3.116 20 30 CGEDHN C[C@@H](NC1CCC(C#N)CC1)c1c(F)cncc1F ZINC000602654951 348002011 /nfs/dbraw/zinc/00/20/11/348002011.db2.gz MDQOFFOWRUWKJC-KPPDAEKUSA-N 0 3 265.307 3.093 20 30 CGEDHN N#CC1CCC(N[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000602694955 348011517 /nfs/dbraw/zinc/01/15/17/348011517.db2.gz QSWRCKUHDAFRIX-DISOXQEGSA-N 0 3 258.340 3.296 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000602709377 348014398 /nfs/dbraw/zinc/01/43/98/348014398.db2.gz SOHFINYTLDMDAS-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN N#CCC1(CN2CCS[C@H]3CCCC[C@@H]32)CC1 ZINC000602786253 348029482 /nfs/dbraw/zinc/02/94/82/348029482.db2.gz FEBGQQWXSYNCLV-STQMWFEESA-N 0 3 250.411 3.040 20 30 CGEDHN N#CCC1(CN2CCC(OCCc3ccccc3)CC2)CC1 ZINC000602769820 348025956 /nfs/dbraw/zinc/02/59/56/348025956.db2.gz RVRKRQLGJSMQMM-UHFFFAOYSA-N 0 3 298.430 3.404 20 30 CGEDHN COc1ccccc1[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602780801 348027111 /nfs/dbraw/zinc/02/71/11/348027111.db2.gz SBQDSBUCSMULPO-CQSZACIVSA-N 0 3 270.376 3.178 20 30 CGEDHN N#Cc1cccc(CNCC2(Sc3ccccc3)CC2)n1 ZINC000602541140 347978211 /nfs/dbraw/zinc/97/82/11/347978211.db2.gz UVYLDPPZIIWNJG-UHFFFAOYSA-N 0 3 295.411 3.368 20 30 CGEDHN CCc1nc([C@@H](C)NC2CCC(C#N)CC2)cs1 ZINC000602551811 347980678 /nfs/dbraw/zinc/98/06/78/347980678.db2.gz FWSHNHYXOZKHQR-VOMCLLRMSA-N 0 3 263.410 3.438 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(-n2ccnc2)c1 ZINC000602805429 348031436 /nfs/dbraw/zinc/03/14/36/348031436.db2.gz JVBKYFWLVMDPKG-AWEZNQCLSA-N 0 3 280.375 3.217 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@H](c2cccnc2)C1 ZINC000602854059 348037271 /nfs/dbraw/zinc/03/72/71/348037271.db2.gz MEGDPIDQDZFRLV-OAHLLOKOSA-N 0 3 257.381 3.201 20 30 CGEDHN N#Cc1cc(CN2CCC3(CCSCC3)CC2)ccn1 ZINC000602951492 348047141 /nfs/dbraw/zinc/04/71/41/348047141.db2.gz PTZCBGSIBBVVAB-UHFFFAOYSA-N 0 3 287.432 3.062 20 30 CGEDHN C[C@]1(C2CCCCC2)CCN1Cc1ccnc(C#N)c1 ZINC000603028764 348054524 /nfs/dbraw/zinc/05/45/24/348054524.db2.gz FZXLVAXIHBLPPA-QGZVFWFLSA-N 0 3 269.392 3.498 20 30 CGEDHN CSc1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000603434843 348083623 /nfs/dbraw/zinc/08/36/23/348083623.db2.gz POFHPYURYYFAAR-UHFFFAOYSA-N 0 3 264.394 3.421 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](c3ccco3)C2)c1 ZINC000609540420 348346887 /nfs/dbraw/zinc/34/68/87/348346887.db2.gz VYGLGZKUDDUHAO-HNNXBMFYSA-N 0 3 252.317 3.141 20 30 CGEDHN C[C@@H](Cc1ccoc1)NCc1ccc(C#N)cc1F ZINC000610947047 348411215 /nfs/dbraw/zinc/41/12/15/348411215.db2.gz AGBNHCMTBIGGPQ-NSHDSACASA-N 0 3 258.296 3.011 20 30 CGEDHN C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1ccnc(C#N)c1 ZINC000610993712 348416535 /nfs/dbraw/zinc/41/65/35/348416535.db2.gz DCYRHAIXATZSDE-YJBOKZPZSA-N 0 3 291.398 3.406 20 30 CGEDHN C[C@@]1(c2ccccc2)CCN(Cc2ccnc(C#N)c2)C1 ZINC000610994815 348417582 /nfs/dbraw/zinc/41/75/82/348417582.db2.gz RVPJDQJYFVKOFJ-GOSISDBHSA-N 0 3 277.371 3.117 20 30 CGEDHN CCN1C[C@H](C)N(c2cc(C#N)nc3ccccc32)C[C@H]1C ZINC000611222008 348428667 /nfs/dbraw/zinc/42/86/67/348428667.db2.gz CCDZSBGQFUJAEL-KGLIPLIRSA-N 0 3 294.402 3.025 20 30 CGEDHN COc1ccc(C2(CNC[C@H](C#N)CCC#N)CCC2)cc1 ZINC000612051942 348488663 /nfs/dbraw/zinc/48/86/63/348488663.db2.gz YOAWMAVYCASYFK-HNNXBMFYSA-N 0 3 297.402 3.150 20 30 CGEDHN CC(C)(C#N)CCCN1CCC[C@H](OC(F)F)C1 ZINC000611580462 348462712 /nfs/dbraw/zinc/46/27/12/348462712.db2.gz WHUBQBZYXUWGRR-NSHDSACASA-N 0 3 260.328 3.020 20 30 CGEDHN CC(C)(NCc1ccnc(C#N)c1)c1cccs1 ZINC000612517147 348525148 /nfs/dbraw/zinc/52/51/48/348525148.db2.gz YCAFHZSVWNQIEC-UHFFFAOYSA-N 0 3 257.362 3.040 20 30 CGEDHN CCOc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCO2 ZINC000613666883 348626476 /nfs/dbraw/zinc/62/64/76/348626476.db2.gz VEOKAFYASXTASM-WOSRLPQWSA-N 0 3 286.375 3.191 20 30 CGEDHN CO[C@@]1(C(F)(F)F)CCCN(CCCC(C)(C)C#N)C1 ZINC000614923487 348700462 /nfs/dbraw/zinc/70/04/62/348700462.db2.gz AVJHNTNPNBJXIQ-ZDUSSCGKSA-N 0 3 292.345 3.360 20 30 CGEDHN N#Cc1ccc(CN2CCc3ccc(O)cc3CC2)cc1F ZINC000616764575 348877772 /nfs/dbraw/zinc/87/77/72/348877772.db2.gz RUFVBPMYCDQCNX-UHFFFAOYSA-N 0 3 296.345 3.004 20 30 CGEDHN CCC(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000618565219 349106805 /nfs/dbraw/zinc/10/68/05/349106805.db2.gz HPCMMLZAWMYFEO-ZFWWWQNUSA-N 0 3 285.391 3.207 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](Cn2cccn2)c2ccccc2)C1 ZINC000618569175 349108266 /nfs/dbraw/zinc/10/82/66/349108266.db2.gz NDQPUBKIUFMUFC-KBAYOESNSA-N 0 3 294.402 3.296 20 30 CGEDHN COc1ccc(CN(C)C)cc1N[C@H]1CCC[C@H](C#N)C1 ZINC000618574734 349109615 /nfs/dbraw/zinc/10/96/15/349109615.db2.gz IROAAALKEXUIFE-ZFWWWQNUSA-N 0 3 287.407 3.251 20 30 CGEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(CO)c1 ZINC000618802538 349156298 /nfs/dbraw/zinc/15/62/98/349156298.db2.gz FIPNYILXWLVJEN-BFUOFWGJSA-N 0 3 292.382 3.389 20 30 CGEDHN COc1ccc([C@H](C)[C@H](C)NCC(C)(C)C#N)cc1 ZINC000619428929 349248983 /nfs/dbraw/zinc/24/89/83/349248983.db2.gz OERHYVDEBJGITN-OLZOCXBDSA-N 0 3 260.381 3.327 20 30 CGEDHN Cc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)[nH]n1 ZINC000619508344 349254743 /nfs/dbraw/zinc/25/47/43/349254743.db2.gz CGBVUHZJCGWHCJ-QGZVFWFLSA-N 0 3 280.375 3.147 20 30 CGEDHN Cc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000619508344 349254745 /nfs/dbraw/zinc/25/47/45/349254745.db2.gz CGBVUHZJCGWHCJ-QGZVFWFLSA-N 0 3 280.375 3.147 20 30 CGEDHN CC[C@H](C)N1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784597 349284907 /nfs/dbraw/zinc/28/49/07/349284907.db2.gz DMQXYJSYTAQTAH-BBRMVZONSA-N 0 3 291.826 3.321 20 30 CGEDHN CN(C)[C@@]1(CNc2cc(Cl)ccc2C#N)CCSC1 ZINC000358988028 233231894 /nfs/dbraw/zinc/23/18/94/233231894.db2.gz PGXUHBLRRHFBBB-CQSZACIVSA-N 0 3 295.839 3.061 20 30 CGEDHN CN(C)[C@]1(CNc2c(Cl)cccc2C#N)CCSC1 ZINC000359002644 233236970 /nfs/dbraw/zinc/23/69/70/233236970.db2.gz MBUSEWBLNJKAEF-AWEZNQCLSA-N 0 3 295.839 3.061 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625658928 350194342 /nfs/dbraw/zinc/19/43/42/350194342.db2.gz MURRAGYCOKSFHP-LSDHHAIUSA-N 0 3 295.373 3.471 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000625702221 350199479 /nfs/dbraw/zinc/19/94/79/350199479.db2.gz FPOOJKAGEPFVSI-AWEZNQCLSA-N 0 3 284.403 3.012 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2c(Br)cnn2C)C1 ZINC000631207882 350992534 /nfs/dbraw/zinc/99/25/34/350992534.db2.gz WKUJQPKBOAVNOX-GHMZBOCLSA-N 0 3 298.228 3.017 20 30 CGEDHN Cc1ccc(CNCc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000123359857 187087018 /nfs/dbraw/zinc/08/70/18/187087018.db2.gz SXMNLYMUWMPAEF-UHFFFAOYSA-N 0 3 290.370 3.113 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000367381909 234210646 /nfs/dbraw/zinc/21/06/46/234210646.db2.gz ZSGUTIRSOZIFMD-ROUUACIJSA-N 0 3 284.403 3.197 20 30 CGEDHN N#Cc1cccc(C2(NCCCOCC(F)(F)F)CC2)c1 ZINC000271650451 191258602 /nfs/dbraw/zinc/25/86/02/191258602.db2.gz AZBNIVFPNHIJIT-UHFFFAOYSA-N 0 3 298.308 3.106 20 30 CGEDHN COC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000152631614 188033600 /nfs/dbraw/zinc/03/36/00/188033600.db2.gz GGCRBEIVPKUQSE-HNNXBMFYSA-N 0 3 277.795 3.050 20 30 CGEDHN CN(C)Cc1cccc(NCc2ccc(C#N)s2)c1 ZINC000156530706 188267679 /nfs/dbraw/zinc/26/76/79/188267679.db2.gz AQGJOQGLKFGVST-UHFFFAOYSA-N 0 3 271.389 3.293 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000349828776 283067891 /nfs/dbraw/zinc/06/78/91/283067891.db2.gz NDOQPPRHDBCQKG-AAEUAGOBSA-N 0 3 268.282 3.487 20 30 CGEDHN C[C@H](NC[C@@](C)(O)c1ccsc1)c1ccc(C#N)cc1 ZINC000271834964 191356585 /nfs/dbraw/zinc/35/65/85/191356585.db2.gz FVLQHKJLRQHPIF-BLLLJJGKSA-N 0 3 286.400 3.178 20 30 CGEDHN Cc1ccccc1[C@@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000271865602 191376586 /nfs/dbraw/zinc/37/65/86/191376586.db2.gz VAHOERGETYVQCF-KDOFPFPSSA-N 0 3 280.371 3.251 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccncc1 ZINC000335191936 283193855 /nfs/dbraw/zinc/19/38/55/283193855.db2.gz MQVLHPKYWAMKJU-KRWDZBQOSA-N 0 3 263.344 3.120 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000191658468 283206409 /nfs/dbraw/zinc/20/64/09/283206409.db2.gz BKYOUYDGJRFNIJ-QGZVFWFLSA-N 0 3 278.355 3.431 20 30 CGEDHN N#Cc1ccccc1N1CCCN(Cc2ccsc2)CC1 ZINC000091792595 283215569 /nfs/dbraw/zinc/21/55/69/283215569.db2.gz GSIGVFPFYSIFRN-UHFFFAOYSA-N 0 3 297.427 3.332 20 30 CGEDHN C[C@@H](c1cccnc1)N(C)CCOc1cccc(C#N)c1 ZINC000111272097 138363886 /nfs/dbraw/zinc/36/38/86/138363886.db2.gz DDPATPMPGSMQHK-AWEZNQCLSA-N 0 3 281.359 3.025 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCn1cc(Cl)cn1 ZINC000425530038 236257988 /nfs/dbraw/zinc/25/79/88/236257988.db2.gz DEDIVIPXLSNINW-GFCCVEGCSA-N 0 3 288.782 3.101 20 30 CGEDHN C[C@H](O)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000298141646 200343654 /nfs/dbraw/zinc/34/36/54/200343654.db2.gz LPLYDQYWADGKQT-AWEZNQCLSA-N 0 3 280.371 3.038 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)Cc1ccccc1 ZINC000176967487 189017425 /nfs/dbraw/zinc/01/74/25/189017425.db2.gz IXEBVOWZLVNZBI-CQSZACIVSA-N 0 3 299.443 3.230 20 30 CGEDHN Clc1ccc(C#CCN2CCC(n3ccnc3)CC2)cc1 ZINC000177157545 189032920 /nfs/dbraw/zinc/03/29/20/189032920.db2.gz UDWMKMJAPFMXIX-UHFFFAOYSA-N 0 3 299.805 3.225 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cccc(C)c2Cl)CC1 ZINC000179054566 189165226 /nfs/dbraw/zinc/16/52/26/189165226.db2.gz HOQQJZHFBLRQNP-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN CS[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000180754296 189273782 /nfs/dbraw/zinc/27/37/82/189273782.db2.gz YHXYNKQJWPPKKM-LBPRGKRZSA-N 0 3 266.435 3.337 20 30 CGEDHN C[C@@H](O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000181564474 189301337 /nfs/dbraw/zinc/30/13/37/189301337.db2.gz UBESFXUDWVRQMQ-ZIAGYGMSSA-N 0 3 280.371 3.462 20 30 CGEDHN C[C@H](NC[C@@H](O)c1ccsc1)c1ccc(C#N)cc1 ZINC000181785928 189306634 /nfs/dbraw/zinc/30/66/34/189306634.db2.gz PPAPABNGBMLNAL-XHDPSFHLSA-N 0 3 272.373 3.004 20 30 CGEDHN C[C@H](NC[C@@H](O)C1CCCCC1)c1ccc(C#N)cc1 ZINC000181674318 189303611 /nfs/dbraw/zinc/30/36/11/189303611.db2.gz MSLOQOWRBMRCIP-SUMWQHHRSA-N 0 3 272.392 3.150 20 30 CGEDHN COc1cc(C)c(CN(C)CCC(C)(C)C#N)cc1OC ZINC000119591878 370688542 /nfs/dbraw/zinc/68/85/42/370688542.db2.gz RGHQARCGWJQYFW-UHFFFAOYSA-N 0 3 290.407 3.384 20 30 CGEDHN C=CCOc1ccccc1CN(C)C[C@H]1CCCOC1 ZINC000119753791 370705942 /nfs/dbraw/zinc/70/59/42/370705942.db2.gz MLSPJACHNVOQCW-OAHLLOKOSA-N 0 3 275.392 3.110 20 30 CGEDHN Cc1cccc([C@H]2CCCN2CCC(C)(C)C#N)n1 ZINC000119994537 370730885 /nfs/dbraw/zinc/73/08/85/370730885.db2.gz YVHXKUDYMDENOU-OAHLLOKOSA-N 0 3 257.381 3.467 20 30 CGEDHN CC1(C)C[C@H](NCc2ccc(F)c(C#N)c2)C(C)(C)O1 ZINC000119898762 370720665 /nfs/dbraw/zinc/72/06/65/370720665.db2.gz VCFWJTYSNGTYPL-AWEZNQCLSA-N 0 3 276.355 3.133 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000451489081 240312186 /nfs/dbraw/zinc/31/21/86/240312186.db2.gz BUIYBLRFWZLBCG-HZPDHXFCSA-N 0 3 290.382 3.379 20 30 CGEDHN C=CC[C@@H](C(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000275363501 193009962 /nfs/dbraw/zinc/00/99/62/193009962.db2.gz TZWFTDFOTUFOPY-CRAIPNDOSA-N 0 3 298.430 3.113 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C1(C)C ZINC000120625989 370787737 /nfs/dbraw/zinc/78/77/37/370787737.db2.gz FHKLLGNBKKNRLR-HZPDHXFCSA-N 0 3 272.392 3.194 20 30 CGEDHN C=CCCOCCNCc1ccc(F)c(Cl)c1 ZINC000120814353 370803315 /nfs/dbraw/zinc/80/33/15/370803315.db2.gz IZCYCCFHTIKCRK-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=CCCCC(=O)Nc1ccccc1CCN(C)C ZINC000275682073 193103884 /nfs/dbraw/zinc/10/38/84/193103884.db2.gz QIFJFUHBWCHPPW-UHFFFAOYSA-N 0 3 260.381 3.086 20 30 CGEDHN CCC[C@@H](NCC(=O)Nc1sccc1C#N)C1CCC1 ZINC000459790226 242234637 /nfs/dbraw/zinc/23/46/37/242234637.db2.gz GLUVJQVSYATUFH-CYBMUJFWSA-N 0 3 291.420 3.117 20 30 CGEDHN C[C@@H]1C[C@H](Nc2c(Cl)cccc2C#N)CCN1C ZINC000462885402 242373381 /nfs/dbraw/zinc/37/33/81/242373381.db2.gz UQRKAEZOZIDFEH-ZYHUDNBSSA-N 0 3 263.772 3.106 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1CC#Cc1ccccc1 ZINC000124302400 370923689 /nfs/dbraw/zinc/92/36/89/370923689.db2.gz YJBPCLOUDRIIGR-AEFFLSMTSA-N 0 3 271.404 3.054 20 30 CGEDHN Cc1ccc(CN(C)CCCOc2cccc(C#N)c2)o1 ZINC000035699739 369004179 /nfs/dbraw/zinc/00/41/79/369004179.db2.gz LXCRPDFKKKQQFS-UHFFFAOYSA-N 0 3 284.359 3.361 20 30 CGEDHN COc1cccc(CN(C)CCOc2ccc(C#N)cc2)c1 ZINC000042976427 369240072 /nfs/dbraw/zinc/24/00/72/369240072.db2.gz YKMCHIONHFXVMF-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=CCN(CC=C)CCC(=O)Nc1cccc(Cl)c1 ZINC000051766971 369455391 /nfs/dbraw/zinc/45/53/91/369455391.db2.gz JAFHTDDUHXDDOZ-UHFFFAOYSA-N 0 3 278.783 3.343 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000127947471 370958109 /nfs/dbraw/zinc/95/81/09/370958109.db2.gz VXEMSWPQBDZUME-UHFFFAOYSA-N 0 3 286.419 3.350 20 30 CGEDHN C=CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000055504677 369519273 /nfs/dbraw/zinc/51/92/73/369519273.db2.gz CLTJPHNFPGJSFL-UHFFFAOYSA-N 0 3 264.800 3.034 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000276364901 193301167 /nfs/dbraw/zinc/30/11/67/193301167.db2.gz GEAUGQZDSMJCFR-AWEZNQCLSA-N 0 3 292.448 3.159 20 30 CGEDHN CCC(C)(C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072633225 369831484 /nfs/dbraw/zinc/83/14/84/369831484.db2.gz CDANDPFXSSKIJG-UHFFFAOYSA-N 0 3 284.363 3.229 20 30 CGEDHN CCCN(CCC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075626456 369915716 /nfs/dbraw/zinc/91/57/16/369915716.db2.gz ROPQDZISHFKEHC-UHFFFAOYSA-N 0 3 284.363 3.230 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000076734623 369941933 /nfs/dbraw/zinc/94/19/33/369941933.db2.gz XJCMVENRORCKJD-NSHDSACASA-N 0 3 282.334 3.190 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(F)c(OC)c1 ZINC000090883594 370069568 /nfs/dbraw/zinc/06/95/68/370069568.db2.gz XFUKLAPSTIQSBK-GFCCVEGCSA-N 0 3 267.344 3.078 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)cs2)C12CCC2 ZINC000092041111 370090459 /nfs/dbraw/zinc/09/04/59/370090459.db2.gz QZIXQRMOUJSHPW-LSDHHAIUSA-N 0 3 290.432 3.399 20 30 CGEDHN C=CCC[C@@H](C)Nc1cccc(OCCN(C)C)c1 ZINC000130641532 371048110 /nfs/dbraw/zinc/04/81/10/371048110.db2.gz WLLXYTGQUMELHC-CQSZACIVSA-N 0 3 262.397 3.394 20 30 CGEDHN C[C@@H](Cc1ccccc1)CN(CCC#N)CC1CC1 ZINC000132307961 371165201 /nfs/dbraw/zinc/16/52/01/371165201.db2.gz ZLHSFLHBFJCZAS-HNNXBMFYSA-N 0 3 256.393 3.491 20 30 CGEDHN CS[C@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000134565736 371350136 /nfs/dbraw/zinc/35/01/36/371350136.db2.gz DXVQZYTWPWSHNN-HNNXBMFYSA-N 0 3 260.406 3.276 20 30 CGEDHN CCOCCC1(CNCc2ccc(C#N)o2)CCCC1 ZINC000151874299 371646740 /nfs/dbraw/zinc/64/67/40/371646740.db2.gz JLNZQLLATATBHT-UHFFFAOYSA-N 0 3 276.380 3.228 20 30 CGEDHN C[C@H]1C[C@@H](Nc2cc(C#N)ccn2)CN1Cc1ccccc1 ZINC000287981617 371723480 /nfs/dbraw/zinc/72/34/80/371723480.db2.gz UXHSTCCBFAMQHW-WMLDXEAASA-N 0 3 292.386 3.028 20 30 CGEDHN C#C[C@H](C)N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000289525478 371756722 /nfs/dbraw/zinc/75/67/22/371756722.db2.gz PPHMMHALBIXTOR-WDEREUQCSA-N 0 3 298.308 3.034 20 30 CGEDHN CCN(Cc1cc(F)ccc1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000289910362 371851868 /nfs/dbraw/zinc/85/18/68/371851868.db2.gz TTYKXDHTZSWRHW-MRXNPFEDSA-N 0 3 290.382 3.477 20 30 CGEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000289951007 371861314 /nfs/dbraw/zinc/86/13/14/371861314.db2.gz XVYKYSQHHPFREQ-UHFFFAOYSA-N 0 3 297.402 3.024 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(N(C)CC)nc1 ZINC000426570441 372165353 /nfs/dbraw/zinc/16/53/53/372165353.db2.gz LEZDKMMJUNWEGZ-HNNXBMFYSA-N 0 3 259.397 3.078 20 30 CGEDHN N#Cc1ccc(F)cc1CN1CCC[C@H]1C1CCC1 ZINC000159698827 372169558 /nfs/dbraw/zinc/16/95/58/372169558.db2.gz AHOGPOFKYMXOJD-INIZCTEOSA-N 0 3 258.340 3.462 20 30 CGEDHN N#CCc1ccc(NC2CCN(c3ccncc3)CC2)cc1 ZINC000291511573 372169658 /nfs/dbraw/zinc/16/96/58/372169658.db2.gz XMUOWYUMCMNGEX-UHFFFAOYSA-N 0 3 292.386 3.229 20 30 CGEDHN CN(Cc1cccc(F)c1C#N)C(C1CC1)C1CC1 ZINC000428416917 372195448 /nfs/dbraw/zinc/19/54/48/372195448.db2.gz BQWFEQLJHUCLOH-UHFFFAOYSA-N 0 3 258.340 3.318 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1ccccc1F ZINC000429713699 372376745 /nfs/dbraw/zinc/37/67/45/372376745.db2.gz DWLFJGGNZXSHLK-CQSZACIVSA-N 0 3 264.388 3.326 20 30 CGEDHN CCCOc1ccc(CNCC2(CC#N)CC2)cc1OC ZINC000430074177 372382867 /nfs/dbraw/zinc/38/28/67/372382867.db2.gz GAUDFHUIRSNDCN-UHFFFAOYSA-N 0 3 288.391 3.267 20 30 CGEDHN CCCOc1cc(CNCC2(CC#N)CC2)ccc1OC ZINC000430067361 372382920 /nfs/dbraw/zinc/38/29/20/372382920.db2.gz TUISKQNTTRICOC-UHFFFAOYSA-N 0 3 288.391 3.267 20 30 CGEDHN CC(C)Oc1cccc(CNCC2(CC#N)CC2)c1 ZINC000430059626 372383266 /nfs/dbraw/zinc/38/32/66/372383266.db2.gz JNDFTDSQVRIDGQ-UHFFFAOYSA-N 0 3 258.365 3.257 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCCO2 ZINC000430723380 372392586 /nfs/dbraw/zinc/39/25/86/372392586.db2.gz JKYVUOFMWUAWCV-AWEZNQCLSA-N 0 3 286.375 3.192 20 30 CGEDHN C=CCCCN(C)Cc1ccnn1-c1ccccc1OC ZINC000430759246 372396525 /nfs/dbraw/zinc/39/65/25/372396525.db2.gz FQIFAYHMYZLUFU-UHFFFAOYSA-N 0 3 285.391 3.279 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000432071621 372533872 /nfs/dbraw/zinc/53/38/72/372533872.db2.gz KUXOYXSUSRBUEM-GJZGRUSLSA-N 0 3 295.471 3.008 20 30 CGEDHN Cc1cc(CNCc2ccc(OCC#N)cc2)cs1 ZINC000294171031 372602292 /nfs/dbraw/zinc/60/22/92/372602292.db2.gz JHBLBJXLKAJMTC-UHFFFAOYSA-N 0 3 272.373 3.249 20 30 CGEDHN C[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433311149 372588034 /nfs/dbraw/zinc/58/80/34/372588034.db2.gz GFVAZAXVWJFHQV-RDJZCZTQSA-N 0 3 284.403 3.408 20 30 CGEDHN CN(CC1CCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433340425 372596479 /nfs/dbraw/zinc/59/64/79/372596479.db2.gz BOBDICKVWQSFKJ-INIZCTEOSA-N 0 3 270.376 3.017 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)nc2ccccc21 ZINC000435592655 372781509 /nfs/dbraw/zinc/78/15/09/372781509.db2.gz MPTFYHTVXRMITL-RDTXWAMCSA-N 0 3 282.387 3.358 20 30 CGEDHN Cc1cccc(CNCc2ccc(OCC#N)cc2)c1C ZINC000171769807 372824036 /nfs/dbraw/zinc/82/40/36/372824036.db2.gz QXMSQCIWSJDYCD-UHFFFAOYSA-N 0 3 280.371 3.496 20 30 CGEDHN C=CCN(CC[C@@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000437691722 372855186 /nfs/dbraw/zinc/85/51/86/372855186.db2.gz ZFMSOADSQMOCRQ-CQSZACIVSA-N 0 3 290.363 3.009 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1=C(C)CCC1)C(C)C ZINC000437663692 372855307 /nfs/dbraw/zinc/85/53/07/372855307.db2.gz BJYXBWKECBQRDB-KRWDZBQOSA-N 0 3 290.451 3.302 20 30 CGEDHN Clc1cccc(C#CCN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000438531498 372968528 /nfs/dbraw/zinc/96/85/28/372968528.db2.gz NXJDEBCRVYKNLP-HUUCEWRRSA-N 0 3 259.780 3.423 20 30 CGEDHN CC1(C)C[C@H](O)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000296209737 373053484 /nfs/dbraw/zinc/05/34/84/373053484.db2.gz VPWDUIDINWNKMO-MRXNPFEDSA-N 0 3 291.822 3.174 20 30 CGEDHN N#CCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442823479 373096296 /nfs/dbraw/zinc/09/62/96/373096296.db2.gz DFFYXYVCIFQOER-BPUTZDHNSA-N 0 3 253.349 3.313 20 30 CGEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1cccc(Cl)c1 ZINC000443334767 373151496 /nfs/dbraw/zinc/15/14/96/373151496.db2.gz NBELWFRBWQONHR-CPUCHLNUSA-N 0 3 291.822 3.173 20 30 CGEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000443337897 373151975 /nfs/dbraw/zinc/15/19/75/373151975.db2.gz WCPLELAZGKVEFM-KEYYUXOJSA-N 0 3 291.822 3.173 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000443968959 373164953 /nfs/dbraw/zinc/16/49/53/373164953.db2.gz FCZPWSFQRGFLEX-GFCCVEGCSA-N 0 3 272.392 3.495 20 30 CGEDHN CC(C)c1ncc(CN(C)CC(C)(C)CCC#N)cn1 ZINC000443064685 373148956 /nfs/dbraw/zinc/14/89/56/373148956.db2.gz GQUXGRHLKVKUHY-UHFFFAOYSA-N 0 3 274.412 3.362 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCCC[C@H]1CC ZINC000444663301 373223549 /nfs/dbraw/zinc/22/35/49/373223549.db2.gz KLBKCPZHVZWPMK-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CC[C@H]1N(Cc2nccn2CC)CCCC1(C)C ZINC000444780497 373272511 /nfs/dbraw/zinc/27/25/11/373272511.db2.gz FLIBNMFXBVJQHY-CQSZACIVSA-N 0 3 261.413 3.470 20 30 CGEDHN C[C@H](OCCCNCc1ccc(C#N)o1)c1ccccc1 ZINC000174249874 373275945 /nfs/dbraw/zinc/27/59/45/373275945.db2.gz JDUFGAWWKMSPHV-AWEZNQCLSA-N 0 3 284.359 3.409 20 30 CGEDHN CC[C@@]1(C)CN(CCCCC(C)(C)C#N)CCO1 ZINC000444688727 373235939 /nfs/dbraw/zinc/23/59/39/373235939.db2.gz KQHHWEAFGRGQTH-HNNXBMFYSA-N 0 3 252.402 3.207 20 30 CGEDHN Cc1ccc(C(C)(C)NCCOc2ccccc2C#N)cn1 ZINC000353578703 220169490 /nfs/dbraw/zinc/16/94/90/220169490.db2.gz DTLDIMGVGSUICJ-UHFFFAOYSA-N 0 3 295.386 3.165 20 30 CGEDHN C=CC[C@@H]1N(Cc2cc(C)n(C)n2)CCCC1(C)C ZINC000444773939 373270045 /nfs/dbraw/zinc/27/00/45/373270045.db2.gz GXTGYXPIEBCCJJ-HNNXBMFYSA-N 0 3 261.413 3.295 20 30 CGEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@@H](O)C2)cc1 ZINC000298087129 373289767 /nfs/dbraw/zinc/28/97/67/373289767.db2.gz JFGOOYRELDDVJB-GOSISDBHSA-N 0 3 292.382 3.182 20 30 CGEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C1(CO)CC1 ZINC000298615413 373364992 /nfs/dbraw/zinc/36/49/92/373364992.db2.gz UHGBSFALEGFTCM-UHFFFAOYSA-N 0 3 292.382 3.182 20 30 CGEDHN C=CC[C@H]1N(Cc2ccc(C(=O)OC)[nH]2)CCCC1(C)C ZINC000446828998 373366890 /nfs/dbraw/zinc/36/68/90/373366890.db2.gz BWQCKOJOUUNICP-OAHLLOKOSA-N 0 3 290.407 3.368 20 30 CGEDHN C=CC[C@H]1N(Cc2cnn(CC)c2)CCCC1(C)C ZINC000446837334 373369999 /nfs/dbraw/zinc/36/99/99/373369999.db2.gz YZWHKUZUYDTGDT-OAHLLOKOSA-N 0 3 261.413 3.470 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000298777627 373407218 /nfs/dbraw/zinc/40/72/18/373407218.db2.gz RZRWEWXKIDNLEX-KRWDZBQOSA-N 0 3 281.359 3.102 20 30 CGEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCCCC#N ZINC000175386221 373461177 /nfs/dbraw/zinc/46/11/77/373461177.db2.gz QWONJPZWFCZLOQ-BFUOFWGJSA-N 0 3 278.421 3.111 20 30 CGEDHN CC(C)(C)[C@@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000447833645 373503409 /nfs/dbraw/zinc/50/34/09/373503409.db2.gz IZBNMUKVWBSEDT-AWEZNQCLSA-N 0 3 266.429 3.453 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000448606109 373621426 /nfs/dbraw/zinc/62/14/26/373621426.db2.gz NFKHKWJXBCHXPS-INIZCTEOSA-N 0 3 288.435 3.180 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CC)CCCCC1 ZINC000448599999 373621452 /nfs/dbraw/zinc/62/14/52/373621452.db2.gz BLEZRBZJBRXQQZ-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CC[C@@H]1N(Cc2nccnc2OC)CCCC1(C)C ZINC000449284762 373676711 /nfs/dbraw/zinc/67/67/11/373676711.db2.gz PXLNQGWDTNLXKF-AWEZNQCLSA-N 0 3 275.396 3.052 20 30 CGEDHN C=CCc1cc(CN2CC[C@@H]2C2CC2)cc(OC)c1O ZINC000449427841 373703500 /nfs/dbraw/zinc/70/35/00/373703500.db2.gz PYOGEWLKYWAVCV-OAHLLOKOSA-N 0 3 273.376 3.114 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](OC)C(C)(C)C1 ZINC000449506197 373804472 /nfs/dbraw/zinc/80/44/72/373804472.db2.gz YPIZWZZQAULTCA-QGZVFWFLSA-N 0 3 289.419 3.498 20 30 CGEDHN CC(C)[C@@H](CO)[C@H](NCc1ccc(C#N)cc1F)C(C)C ZINC000449511849 373812825 /nfs/dbraw/zinc/81/28/25/373812825.db2.gz OEHYZFXKJAPMCL-NVXWUHKLSA-N 0 3 292.398 3.076 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@]3(CCOC3)C2)cc1 ZINC000449689338 373839806 /nfs/dbraw/zinc/83/98/06/373839806.db2.gz ZGPXBCDXGWXHCE-GOSISDBHSA-N 0 3 287.403 3.254 20 30 CGEDHN C=CCOc1cccc(CN2CCCC[C@H]2COC)c1 ZINC000449756437 373884391 /nfs/dbraw/zinc/88/43/91/373884391.db2.gz BEMQSEDIUOOLFZ-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN CN(C)[C@H](CNc1c(C#N)cccc1C#N)c1cccs1 ZINC000302390616 373859894 /nfs/dbraw/zinc/85/98/94/373859894.db2.gz BOARHRQXGNJNKF-CQSZACIVSA-N 0 3 296.399 3.206 20 30 CGEDHN Cc1cc(C)c(CNCc2ccc(C#N)c(C)c2)cn1 ZINC000449733661 373861430 /nfs/dbraw/zinc/86/14/30/373861430.db2.gz JFGANCFBTHHPEU-UHFFFAOYSA-N 0 3 265.360 3.168 20 30 CGEDHN CC(C)[C@H]1N(Cc2cc(C#N)n(C)c2)CC12CCCC2 ZINC000449792178 373926799 /nfs/dbraw/zinc/92/67/99/373926799.db2.gz RZPIZWLVIBWBDD-MRXNPFEDSA-N 0 3 271.408 3.297 20 30 CGEDHN N#CC(C(=O)c1cccc2ncccc21)c1ccccn1 ZINC000181035149 374072487 /nfs/dbraw/zinc/07/24/87/374072487.db2.gz OJQRUUMAKRXARA-CQSZACIVSA-N 0 3 273.295 3.120 20 30 CGEDHN C=CCC[C@H](O)CNC1(c2ccc(Cl)cc2)CC1 ZINC000305761800 374107352 /nfs/dbraw/zinc/10/73/52/374107352.db2.gz FBYGSGFLKAEKKF-AWEZNQCLSA-N 0 3 265.784 3.246 20 30 CGEDHN CCS[C@H]1CC[C@@H](N(C)CC2(C#N)CCC2)C1 ZINC000450457830 374144006 /nfs/dbraw/zinc/14/40/06/374144006.db2.gz SLISRUJUWFFWAV-OLZOCXBDSA-N 0 3 252.427 3.286 20 30 CGEDHN C=CCN(Cc1ccc(Cl)c(OC)c1)C1CC1 ZINC000450650196 374167548 /nfs/dbraw/zinc/16/75/48/374167548.db2.gz YYHQLCUFLWJYOO-UHFFFAOYSA-N 0 3 251.757 3.499 20 30 CGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000181987733 374200414 /nfs/dbraw/zinc/20/04/14/374200414.db2.gz JQISRHVOMXNUCE-AWEZNQCLSA-N 0 3 291.354 3.160 20 30 CGEDHN COC[C@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000452080302 374228251 /nfs/dbraw/zinc/22/82/51/374228251.db2.gz ISUCXUMCFSOEMV-HNNXBMFYSA-N 0 3 297.402 3.059 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1csc(Cl)c1 ZINC000309569557 374188388 /nfs/dbraw/zinc/18/83/88/374188388.db2.gz NGKBSXMURLDMBD-ZJUUUORDSA-N 0 3 259.802 3.237 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000182344197 374261736 /nfs/dbraw/zinc/26/17/36/374261736.db2.gz IPAJIEYASXNMJP-GOEBONIOSA-N 0 3 274.408 3.150 20 30 CGEDHN C[C@@H](NC[C@H]1COc2ccccc2O1)c1cccc(C#N)c1 ZINC000315507217 374328491 /nfs/dbraw/zinc/32/84/91/374328491.db2.gz SMPRNLDWZJTNMB-CJNGLKHVSA-N 0 3 294.354 3.049 20 30 CGEDHN CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000316121562 374333189 /nfs/dbraw/zinc/33/31/89/374333189.db2.gz DHBKJZFQSURVLW-GJZGRUSLSA-N 0 3 299.418 3.397 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000185881439 374759887 /nfs/dbraw/zinc/75/98/87/374759887.db2.gz GJMBEMSWAYYTFD-GDBMZVCRSA-N 0 3 280.375 3.044 20 30 CGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(C#N)ccc1OC ZINC000185680325 374711846 /nfs/dbraw/zinc/71/18/46/374711846.db2.gz FJHUPFXGYYBZRH-SWLSCSKDSA-N 0 3 258.365 3.187 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@H]2C)CC1 ZINC000334413684 374731053 /nfs/dbraw/zinc/73/10/53/374731053.db2.gz WBDCIIYRVCHIRL-OAHLLOKOSA-N 0 3 293.455 3.001 20 30 CGEDHN Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000334531972 374828673 /nfs/dbraw/zinc/82/86/73/374828673.db2.gz YDMKPTVZZNMFDV-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN C=CCSCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185969125 374776230 /nfs/dbraw/zinc/77/62/30/374776230.db2.gz HVPQOVVTDBUZKD-GFCCVEGCSA-N 0 3 251.395 3.270 20 30 CGEDHN C=CCC[C@H](CCC)N[C@H](CCO)c1ccco1 ZINC000186532421 374868989 /nfs/dbraw/zinc/86/89/89/374868989.db2.gz CCKUKXJCLPPESN-UONOGXRCSA-N 0 3 251.370 3.428 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccccc1Br ZINC000186704271 374901876 /nfs/dbraw/zinc/90/18/76/374901876.db2.gz ZQYWMHWLUOVWRH-MNOVXSKESA-N 0 3 284.197 3.037 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000186719261 374906277 /nfs/dbraw/zinc/90/62/77/374906277.db2.gz XQRSITWGOMWAMD-PWSUYJOCSA-N 0 3 289.297 3.173 20 30 CGEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(C)C#N ZINC000469580364 374990069 /nfs/dbraw/zinc/99/00/69/374990069.db2.gz JNIGGUHDHVVZET-GDBMZVCRSA-N 0 3 272.392 3.324 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000469624203 374990222 /nfs/dbraw/zinc/99/02/22/374990222.db2.gz YVYDBVMQXXPFBR-DMTCVQMQSA-N 0 3 276.767 3.313 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000187713953 375079682 /nfs/dbraw/zinc/07/96/82/375079682.db2.gz BQEDSNOAPAZISC-MPGHIAIKSA-N 0 3 294.402 3.399 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000335045784 375090120 /nfs/dbraw/zinc/09/01/20/375090120.db2.gz HBHHSQPPUJJJOT-LBPRGKRZSA-N 0 3 268.282 3.365 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000335175884 375201932 /nfs/dbraw/zinc/20/19/32/375201932.db2.gz QCCPVRFXVUCGPC-ZDUSSCGKSA-N 0 3 280.375 3.222 20 30 CGEDHN C=CCCCCCN(C)C1(C(=O)OC)CCCC1 ZINC000488142663 375304655 /nfs/dbraw/zinc/30/46/55/375304655.db2.gz CMPSAAPVILCERM-UHFFFAOYSA-N 0 3 253.386 3.150 20 30 CGEDHN C=C[C@H]1CCCCN1CCCOc1cccc(C#N)c1 ZINC000489507189 375318253 /nfs/dbraw/zinc/31/82/53/375318253.db2.gz IFOJFXSYLFMFHR-INIZCTEOSA-N 0 3 270.376 3.368 20 30 CGEDHN CC(C#N)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000335344494 375264858 /nfs/dbraw/zinc/26/48/58/375264858.db2.gz IIMLHYNQUMXZMF-LLVKDONJSA-N 0 3 276.767 3.385 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000335820024 375456861 /nfs/dbraw/zinc/45/68/61/375456861.db2.gz RXIOOYVQCRPKNI-MRXNPFEDSA-N 0 3 276.355 3.088 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cnc3ccccc3c2)C1 ZINC000335846031 375479061 /nfs/dbraw/zinc/47/90/61/375479061.db2.gz CBXQNVXXODMIJE-CZUORRHYSA-N 0 3 265.360 3.407 20 30 CGEDHN Cc1cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1C#N ZINC000335875801 375505776 /nfs/dbraw/zinc/50/57/76/375505776.db2.gz ARUPRJCZNFBYBO-LSDHHAIUSA-N 0 3 276.330 3.344 20 30 CGEDHN Cn1cc(CNC2(c3ccccc3)CCCC2)cc1C#N ZINC000191054018 375567524 /nfs/dbraw/zinc/56/75/24/375567524.db2.gz YMSKEKSTJXRHMS-UHFFFAOYSA-N 0 3 279.387 3.456 20 30 CGEDHN C[C@@](O)(CNCc1cc(C#N)cs1)C1CCCCC1 ZINC000191669817 375648654 /nfs/dbraw/zinc/64/86/54/375648654.db2.gz KICASUWASYRPBM-OAHLLOKOSA-N 0 3 278.421 3.041 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000121170203 542014932 /nfs/dbraw/zinc/01/49/32/542014932.db2.gz QRRHCOPCCLBWRG-INIZCTEOSA-N 0 3 297.402 3.354 20 30 CGEDHN N#CCCCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192074406 375697085 /nfs/dbraw/zinc/69/70/85/375697085.db2.gz GFYCJPPIAQPFKN-UONOGXRCSA-N 0 3 282.746 3.202 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1COc2ccccc21 ZINC000192186216 375708422 /nfs/dbraw/zinc/70/84/22/375708422.db2.gz YSIVVJSTAOEKFG-MLGOLLRUSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCCNCc1cc(Br)cc2c1OCC2 ZINC000129171674 542054821 /nfs/dbraw/zinc/05/48/21/542054821.db2.gz CJYBVSNBJFCFQA-UHFFFAOYSA-N 0 3 282.181 3.050 20 30 CGEDHN Cc1cc(CN[C@H]2CCc3c2cccc3O)ccc1C#N ZINC000336526023 375806880 /nfs/dbraw/zinc/80/68/80/375806880.db2.gz DZWWCXYJWYHDDI-KRWDZBQOSA-N 0 3 278.355 3.349 20 30 CGEDHN C=C(C)COCCNCc1cccc(OCC(C)C)c1 ZINC000510919276 375788456 /nfs/dbraw/zinc/78/84/56/375788456.db2.gz ILURNFLJYLNLSL-UHFFFAOYSA-N 0 3 277.408 3.404 20 30 CGEDHN CC(C)N(CC(=O)Nc1sccc1C#N)CC1CCC1 ZINC000193201491 375840249 /nfs/dbraw/zinc/84/02/49/375840249.db2.gz XUGUNGRPBHJEDF-UHFFFAOYSA-N 0 3 291.420 3.069 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@](C)(CCC)C1 ZINC000525268892 375881315 /nfs/dbraw/zinc/88/13/15/375881315.db2.gz VGJFXMILQJWQHP-KRWDZBQOSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCCCCCN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000193518183 375891503 /nfs/dbraw/zinc/89/15/03/375891503.db2.gz GWWMUOVQKJUNPN-QFBILLFUSA-N 0 3 279.449 3.442 20 30 CGEDHN CC1(C)CN(C[C@H](O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000528508545 375903392 /nfs/dbraw/zinc/90/33/92/375903392.db2.gz ZZLOKQKMZLRPFT-TZMCWYRMSA-N 0 3 290.432 3.186 20 30 CGEDHN CC(C)c1cccc2c1CCN(C[C@H](O)CC1(C#N)CC1)C2 ZINC000528469970 375904018 /nfs/dbraw/zinc/90/40/18/375904018.db2.gz KIJPOVGAWCIVTG-MRXNPFEDSA-N 0 3 298.430 3.223 20 30 CGEDHN C=CCCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763319 375910135 /nfs/dbraw/zinc/91/01/35/375910135.db2.gz VGTLHYXEDGNTEI-UHFFFAOYSA-N 0 3 269.392 3.256 20 30 CGEDHN C#CCCCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000194112682 375961467 /nfs/dbraw/zinc/96/14/67/375961467.db2.gz AZDSIYIZLKNZDD-OAHLLOKOSA-N 0 3 265.784 3.421 20 30 CGEDHN C[C@@H]1[C@H](C(=O)C(C#N)c2nc3ccccc3o2)[C@H]1C1CC1 ZINC000528928449 375915305 /nfs/dbraw/zinc/91/53/05/375915305.db2.gz NVUSNHLUURSDNP-PVRXDPTQSA-N 0 3 280.327 3.296 20 30 CGEDHN Cc1nc(N[C@H](C)CN2CCCCC2)c(Cl)cc1C#N ZINC000336833795 375996457 /nfs/dbraw/zinc/99/64/57/375996457.db2.gz OXMJPJSEGCNPBS-LLVKDONJSA-N 0 3 292.814 3.201 20 30 CGEDHN N#CC1CCN(CCSC2CCCCC2)CC1 ZINC000337330401 376211661 /nfs/dbraw/zinc/21/16/61/376211661.db2.gz GHAVGONNXJMSSV-UHFFFAOYSA-N 0 3 252.427 3.288 20 30 CGEDHN C=C(CC)CN1CCN(CC2CCCCC2)CC1 ZINC000538002004 376217235 /nfs/dbraw/zinc/21/72/35/376217235.db2.gz IFCDUHZKRATFKJ-UHFFFAOYSA-N 0 3 250.430 3.151 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)CCCCC)CC1 ZINC000539105299 376295778 /nfs/dbraw/zinc/29/57/78/376295778.db2.gz FPJDPZCLKPSJHK-UHFFFAOYSA-N 0 3 266.429 3.114 20 30 CGEDHN C[C@H]1CCCC[C@H]1OCCN1CCC(CC#N)CC1 ZINC000541022473 376414989 /nfs/dbraw/zinc/41/49/89/376414989.db2.gz FZIXTDMOHHPGGS-GOEBONIOSA-N 0 3 264.413 3.207 20 30 CGEDHN C=CCCN(CCc1ccccn1)Cc1cccnc1 ZINC000338543284 376417179 /nfs/dbraw/zinc/41/71/79/376417179.db2.gz LUMGYSLWZCRHAL-UHFFFAOYSA-N 0 3 267.376 3.097 20 30 CGEDHN CCC(CC)(CCO)NCc1ccc(C#N)cc1Cl ZINC000338383583 376358290 /nfs/dbraw/zinc/35/82/90/376358290.db2.gz QHUNSPGVOJICLB-UHFFFAOYSA-N 0 3 280.799 3.242 20 30 CGEDHN N#Cc1ccc(NCCN2CC=CCC2)c(C(F)(F)F)c1 ZINC000338712906 376494169 /nfs/dbraw/zinc/49/41/69/376494169.db2.gz NZUSZCRKWHTNQK-UHFFFAOYSA-N 0 3 295.308 3.251 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCC#Cc1ccccc1 ZINC000233840729 376602574 /nfs/dbraw/zinc/60/25/74/376602574.db2.gz PHJRLAFROHVAIK-CVEARBPZSA-N 0 3 259.418 3.302 20 30 CGEDHN C[C@H](NC[C@@H](O)CC1CCCC1)c1ccc(C#N)cc1 ZINC000232129238 376577035 /nfs/dbraw/zinc/57/70/35/376577035.db2.gz UTUKIWGSMKWMMW-GUYCJALGSA-N 0 3 272.392 3.150 20 30 CGEDHN COC1(CCN(Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC000338932962 376580633 /nfs/dbraw/zinc/58/06/33/376580633.db2.gz FXZFMTRYBFQMGS-UHFFFAOYSA-N 0 3 284.403 3.482 20 30 CGEDHN C=C[C@H](C)NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000153693262 542113750 /nfs/dbraw/zinc/11/37/50/542113750.db2.gz ZYGFSTWXNVJVAB-AWEZNQCLSA-N 0 3 298.386 3.333 20 30 CGEDHN CN(CC1(C#N)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000561798130 377245821 /nfs/dbraw/zinc/24/58/21/377245821.db2.gz YJAVKWGTACBLLB-PHIMTYICSA-N 0 3 260.303 3.343 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@H](CC)c1ccccc1OC ZINC000561955143 377254625 /nfs/dbraw/zinc/25/46/25/377254625.db2.gz JKPBDGZAPPNVEG-GOEBONIOSA-N 0 3 277.408 3.405 20 30 CGEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]21 ZINC000248450530 377321844 /nfs/dbraw/zinc/32/18/44/377321844.db2.gz YBIFWPZEGCXGKC-KBRIMQKVSA-N 0 3 297.402 3.007 20 30 CGEDHN C=C(C)[C@H](N[C@H]1CCO[C@H]1C)c1ccc(F)c(F)c1 ZINC000248563391 377349370 /nfs/dbraw/zinc/34/93/70/377349370.db2.gz NVTHUKAGYBNCPI-LKTVYLICSA-N 0 3 267.319 3.349 20 30 CGEDHN CC[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000341216582 377449127 /nfs/dbraw/zinc/44/91/27/377449127.db2.gz XCUBHYLSTIDHDC-KRWDZBQOSA-N 0 3 293.370 3.238 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000248869599 377415886 /nfs/dbraw/zinc/41/58/86/377415886.db2.gz QLJAPRSOIYEMFO-DFBGVHRSSA-N 0 3 278.783 3.045 20 30 CGEDHN CC(C)CCc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000567260810 377506078 /nfs/dbraw/zinc/50/60/78/377506078.db2.gz YNUFXLGCFOQEQM-HNNXBMFYSA-N 0 3 287.407 3.235 20 30 CGEDHN COc1cc(C)ccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000567663048 377508340 /nfs/dbraw/zinc/50/83/40/377508340.db2.gz XLIVRZJJDHHBAV-HZSPNIEDSA-N 0 3 258.365 3.347 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H](O)c1ccccc1 ZINC000290284405 249072231 /nfs/dbraw/zinc/07/22/31/249072231.db2.gz MKMLSOFOJWVYOB-IYOUNJFTSA-N 0 3 280.371 3.331 20 30 CGEDHN C=C(C)CN(CC)CCc1nc2ccccc2n1C ZINC000265546935 190189571 /nfs/dbraw/zinc/18/95/71/190189571.db2.gz XSGXGEYBODHKEZ-UHFFFAOYSA-N 0 3 257.381 3.014 20 30 CGEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000252442707 377621869 /nfs/dbraw/zinc/62/18/69/377621869.db2.gz BAORNBQOBFONAW-ZYHUDNBSSA-N 0 3 291.395 3.073 20 30 CGEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253096366 377676400 /nfs/dbraw/zinc/67/64/00/377676400.db2.gz QGBHKVYHCFIALK-KZNAEPCWSA-N 0 3 284.403 3.074 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(CC#N)cc2)C[C@H]1n1ccnc1 ZINC000342756726 377774558 /nfs/dbraw/zinc/77/45/58/377774558.db2.gz VHQOTHIHPGTEQO-MAUKXSAKSA-N 0 3 294.402 3.032 20 30 CGEDHN C=CCCN(C)Cc1cnc(-c2ccncc2)s1 ZINC000343471933 377990659 /nfs/dbraw/zinc/99/06/59/377990659.db2.gz PRTMJTFDKOQPGZ-UHFFFAOYSA-N 0 3 259.378 3.213 20 30 CGEDHN CCN1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000267192156 378031618 /nfs/dbraw/zinc/03/16/18/378031618.db2.gz HLNLWUKMVVMKGX-UHFFFAOYSA-N 0 3 297.324 3.109 20 30 CGEDHN [NH2+]=C(NCc1ccccc1[O-])Nc1cccc2c1CCCC2 ZINC000267361317 378036593 /nfs/dbraw/zinc/03/65/93/378036593.db2.gz WMJJAGBUQLGXPK-UHFFFAOYSA-N 0 3 295.386 3.198 20 30 CGEDHN CC(C#N)C(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC000343674864 378062886 /nfs/dbraw/zinc/06/28/86/378062886.db2.gz ODWKHERCLPYYLX-HOCLYGCPSA-N 0 3 298.386 3.190 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000268564478 378075008 /nfs/dbraw/zinc/07/50/08/378075008.db2.gz PUUAXFFPHWKLPV-TZMCWYRMSA-N 0 3 280.437 3.088 20 30 CGEDHN N#Cc1ccc(CNCCc2c[nH]c3cc(F)ccc23)o1 ZINC000343903046 378129744 /nfs/dbraw/zinc/12/97/44/378129744.db2.gz CEPLSSPTSBPJGX-UHFFFAOYSA-N 0 3 283.306 3.104 20 30 CGEDHN COC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000344002279 378150937 /nfs/dbraw/zinc/15/09/37/378150937.db2.gz XFCDHYWYTGOMLC-GLQYFDAESA-N 0 3 278.783 3.309 20 30 CGEDHN C=C(CNCc1cc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000343805946 378098143 /nfs/dbraw/zinc/09/81/43/378098143.db2.gz IWRUQHISOPQXJZ-UHFFFAOYSA-N 0 3 290.370 3.275 20 30 CGEDHN COc1cccc(OCCN2CCC(CCC#N)CC2)c1 ZINC000580890128 378264917 /nfs/dbraw/zinc/26/49/17/378264917.db2.gz GSVOSDUJJGIAHH-UHFFFAOYSA-N 0 3 288.391 3.090 20 30 CGEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)CC(C)C ZINC000269472908 378226291 /nfs/dbraw/zinc/22/62/91/378226291.db2.gz JGXTVFJIHGEDDF-UHFFFAOYSA-N 0 3 291.395 3.075 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000580147436 378228378 /nfs/dbraw/zinc/22/83/78/378228378.db2.gz RSSZZGHCXAVTHG-ZFWWWQNUSA-N 0 3 299.374 3.199 20 30 CGEDHN CC[C@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000580709609 378251080 /nfs/dbraw/zinc/25/10/80/378251080.db2.gz HZBPIXJXPUDXMN-HZPDHXFCSA-N 0 3 255.365 3.041 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNC[C@@H]2CCCOC2)cc1 ZINC000345314223 378254150 /nfs/dbraw/zinc/25/41/50/378254150.db2.gz KAPJXQTZXMBNIX-AWEZNQCLSA-N 0 3 297.320 3.073 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000345326372 378256254 /nfs/dbraw/zinc/25/62/54/378256254.db2.gz JNNGZSJGMDDWCY-NSHDSACASA-N 0 3 292.329 3.396 20 30 CGEDHN CCC[C@@H](C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582340769 378305064 /nfs/dbraw/zinc/30/50/64/378305064.db2.gz WTKBESJZNUAIKE-PBHICJAKSA-N 0 3 299.418 3.174 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000583935149 378359784 /nfs/dbraw/zinc/35/97/84/378359784.db2.gz RWJQEISCQWNIAG-QZTJIDSGSA-N 0 3 297.446 3.465 20 30 CGEDHN CC(C#N)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000345817309 378377271 /nfs/dbraw/zinc/37/72/71/378377271.db2.gz XUBJEGZBIOAEDE-IUCAKERBSA-N 0 3 285.174 3.373 20 30 CGEDHN C#CCCCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000271073759 378447702 /nfs/dbraw/zinc/44/77/02/378447702.db2.gz WIMMYJIQGKHMIU-UHFFFAOYSA-N 0 3 285.387 3.003 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000270988171 378423774 /nfs/dbraw/zinc/42/37/74/378423774.db2.gz HMNJHVBAPKSLDO-SFHVURJKSA-N 0 3 293.370 3.321 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000637623840 378542722 /nfs/dbraw/zinc/54/27/22/378542722.db2.gz OWTPHUZKPYGUNU-CABCVRRESA-N 0 3 295.471 3.103 20 30 CGEDHN C=CCOCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000348050243 378768256 /nfs/dbraw/zinc/76/82/56/378768256.db2.gz LVICQIPADFGYPL-ZDUSSCGKSA-N 0 3 281.346 3.347 20 30 CGEDHN C=CCOCCCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000348062320 378772844 /nfs/dbraw/zinc/77/28/44/378772844.db2.gz UPKSDPMGVXQTPQ-CYBMUJFWSA-N 0 3 266.410 3.085 20 30 CGEDHN C=C(CN[C@H]1C[C@@H](OCC)[C@@]12CCCO2)c1ccccc1 ZINC000638439270 378804638 /nfs/dbraw/zinc/80/46/38/378804638.db2.gz RAIYOVVGLPOPBH-RCCFBDPRSA-N 0 3 287.403 3.016 20 30 CGEDHN C=CCC[C@H](NCCc1cccc(C(N)=O)c1)c1ccco1 ZINC000278476506 194002376 /nfs/dbraw/zinc/00/23/76/194002376.db2.gz ABNIEBNICROEKV-INIZCTEOSA-N 0 3 298.386 3.218 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CCO)c2ccc(Cl)cc2)C1 ZINC000348216632 378844329 /nfs/dbraw/zinc/84/43/29/378844329.db2.gz OZWRNWGGSMIOQF-KCPJHIHWSA-N 0 3 278.783 3.045 20 30 CGEDHN COc1cc([C@@H](C)NCC(C)(C)CCC#N)c(F)cn1 ZINC000348219639 378845764 /nfs/dbraw/zinc/84/57/64/378845764.db2.gz CUXIJPGCFUWVDN-LLVKDONJSA-N 0 3 279.359 3.210 20 30 CGEDHN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000348320633 378905207 /nfs/dbraw/zinc/90/52/07/378905207.db2.gz MTJUDSFPDYPYLO-GFCCVEGCSA-N 0 3 296.374 3.277 20 30 CGEDHN N#Cc1ccc(OCCN[C@H](c2cccnc2)C2CC2)cc1 ZINC000347335419 218193794 /nfs/dbraw/zinc/19/37/94/218193794.db2.gz FFMDJSJKPABBTO-SFHVURJKSA-N 0 3 293.370 3.073 20 30 CGEDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCCSCC#N)C1 ZINC000372022320 379186934 /nfs/dbraw/zinc/18/69/34/379186934.db2.gz WWZSWUPTKYRHJT-HIFRSBDPSA-N 0 3 275.421 3.111 20 30 CGEDHN N#Cc1csc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000349148185 379171017 /nfs/dbraw/zinc/17/10/17/379171017.db2.gz JCPDMCKROVLGPY-OWCLPIDISA-N 0 3 266.369 3.048 20 30 CGEDHN C=C(CC)CNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639239828 379181627 /nfs/dbraw/zinc/18/16/27/379181627.db2.gz MOWKHQXDNRSWNQ-UHFFFAOYSA-N 0 3 287.329 3.294 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccns1 ZINC000639267250 379212883 /nfs/dbraw/zinc/21/28/83/379212883.db2.gz WUCHVCLQBWTABY-AWEZNQCLSA-N 0 3 258.390 3.420 20 30 CGEDHN CC[C@@]1(CNCc2ccc(C#N)o2)OCCc2ccccc21 ZINC000289449109 197352773 /nfs/dbraw/zinc/35/27/73/197352773.db2.gz BITNVHIRTZZUDX-SFHVURJKSA-N 0 3 296.370 3.119 20 30 CGEDHN CC(C)Oc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349828740 379407218 /nfs/dbraw/zinc/40/72/18/379407218.db2.gz MUAFNDZZNXHWST-CABCVRRESA-N 0 3 258.365 3.256 20 30 CGEDHN Cc1noc(C2(C)CCN(CC(C)(C)CCC#N)CC2)n1 ZINC000374728070 379474989 /nfs/dbraw/zinc/47/49/89/379474989.db2.gz SPSVFVDTSFCIBP-UHFFFAOYSA-N 0 3 290.411 3.062 20 30 CGEDHN C=CCC[C@H](O)CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375960149 379516492 /nfs/dbraw/zinc/51/64/92/379516492.db2.gz IQQLDUVGENPOED-HNNXBMFYSA-N 0 3 292.810 3.151 20 30 CGEDHN C=CCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000267188226 190309734 /nfs/dbraw/zinc/30/97/34/190309734.db2.gz ZHXIMXLFDOZYBY-FUHWJXTLSA-N 0 3 298.430 3.486 20 30 CGEDHN C=CCCc1ccccc1NC(=O)NCC1(N(C)C)CC1 ZINC000640118728 379725973 /nfs/dbraw/zinc/72/59/73/379725973.db2.gz AUKFDNXKGNZRNE-UHFFFAOYSA-N 0 3 287.407 3.021 20 30 CGEDHN C=CCCCNCc1cnc([C@H]2CCCO2)s1 ZINC000279018989 194252074 /nfs/dbraw/zinc/25/20/74/194252074.db2.gz ABXHIVOERAVTBN-GFCCVEGCSA-N 0 3 252.383 3.050 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCOC1 ZINC000389040244 379893847 /nfs/dbraw/zinc/89/38/47/379893847.db2.gz QLWJMFXNDTZPMK-BXUZGUMPSA-N 0 3 278.783 3.116 20 30 CGEDHN C[C@]1(CNCc2nc(C#N)cs2)CCCc2ccccc21 ZINC000352794019 379963615 /nfs/dbraw/zinc/96/36/15/379963615.db2.gz HFUYUOIGBDQSJE-QGZVFWFLSA-N 0 3 297.427 3.399 20 30 CGEDHN Cc1ccsc1CNCc1ccc(CC#N)cc1 ZINC000399177870 379937166 /nfs/dbraw/zinc/93/71/66/379937166.db2.gz KJYJSYJANMFCLL-UHFFFAOYSA-N 0 3 256.374 3.412 20 30 CGEDHN N#Cc1csc(CNCC2(C(F)(F)F)CC2)c1 ZINC000353035871 380084864 /nfs/dbraw/zinc/08/48/64/380084864.db2.gz PMBRWAOVTSQHHM-UHFFFAOYSA-N 0 3 260.284 3.052 20 30 CGEDHN CC#CC[C@@H](CO)NCc1cc(-c2ccccc2)cs1 ZINC000641768805 380087138 /nfs/dbraw/zinc/08/71/38/380087138.db2.gz IRRSSWDIIMXTBP-INIZCTEOSA-N 0 3 285.412 3.279 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc3c[nH]nc3c2)cc1 ZINC000352923487 380039644 /nfs/dbraw/zinc/03/96/44/380039644.db2.gz HEAIBSQKPOHJBL-UHFFFAOYSA-N 0 3 293.370 3.418 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000411406115 380145439 /nfs/dbraw/zinc/14/54/39/380145439.db2.gz BKTHPXIERGBAJS-DOMZBBRYSA-N 0 3 278.783 3.485 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1nccn1C ZINC000414310627 380212417 /nfs/dbraw/zinc/21/24/17/380212417.db2.gz WPXQEYGGHZOHGF-GDBMZVCRSA-N 0 3 269.392 3.258 20 30 CGEDHN C=CCc1cc(CN[C@@H]2CCCC[C@H]2F)cc(OC)c1O ZINC000414513977 380288414 /nfs/dbraw/zinc/28/84/14/380288414.db2.gz QMXHIJSUVYXABN-HUUCEWRRSA-N 0 3 293.382 3.500 20 30 CGEDHN CCC#C[C@@H](C)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000643391195 380304190 /nfs/dbraw/zinc/30/41/90/380304190.db2.gz WWWIFSLLLOSOHG-MJGOQNOKSA-N 0 3 285.431 3.106 20 30 CGEDHN N#Cc1ccc(CNCCSCC(F)(F)F)c(F)c1 ZINC000354288870 380386900 /nfs/dbraw/zinc/38/69/00/380386900.db2.gz GDJJNXCRQBLZEK-UHFFFAOYSA-N 0 3 292.301 3.082 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccccc1CNC ZINC000415924230 380516926 /nfs/dbraw/zinc/51/69/26/380516926.db2.gz RAAGKIGXEYOBPT-CYBMUJFWSA-N 0 3 275.396 3.272 20 30 CGEDHN CCN(CCC1CC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000355062008 380571692 /nfs/dbraw/zinc/57/16/92/380571692.db2.gz PIWSOBYRISWHIO-ZDUSSCGKSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCN(CC(F)F)C1)c1ccco1 ZINC000417362614 380609981 /nfs/dbraw/zinc/60/99/81/380609981.db2.gz AIBOSVLRSHIKEG-QWHCGFSZSA-N 0 3 284.350 3.216 20 30 CGEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCCCC2)s1 ZINC000418130086 380709259 /nfs/dbraw/zinc/70/92/59/380709259.db2.gz UETSXNDZVRCATL-CYBMUJFWSA-N 0 3 278.421 3.041 20 30 CGEDHN C=CCOc1ccccc1CN1CCOCC2(CCC2)C1 ZINC000355518318 380697739 /nfs/dbraw/zinc/69/77/39/380697739.db2.gz VOCMAUMCKGOOQP-UHFFFAOYSA-N 0 3 287.403 3.254 20 30 CGEDHN Cc1cc(CN[C@H](CO)CCC(C)(C)C)ccc1C#N ZINC000355674109 380747349 /nfs/dbraw/zinc/74/73/49/380747349.db2.gz BMIUAWHCUOAIPC-INIZCTEOSA-N 0 3 274.408 3.144 20 30 CGEDHN C=CCC[C@H](O)CNC1(c2ccccc2F)CCC1 ZINC000646025751 380804370 /nfs/dbraw/zinc/80/43/70/380804370.db2.gz CAQMPACCAFJXAR-ZDUSSCGKSA-N 0 3 263.356 3.122 20 30 CGEDHN C[C@H]1[C@@H](C)N(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000419371945 380817809 /nfs/dbraw/zinc/81/78/09/380817809.db2.gz LSROQVLTGXQFNC-JHJVBQTASA-N 0 3 296.374 3.085 20 30 CGEDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCC(C)(C)C#N ZINC000420929275 380862430 /nfs/dbraw/zinc/86/24/30/380862430.db2.gz QHDSCGOONLYXMX-ZIAGYGMSSA-N 0 3 294.439 3.368 20 30 CGEDHN CCc1nc(CCNCc2ccc(C#N)c(F)c2)cs1 ZINC000421327386 380876466 /nfs/dbraw/zinc/87/64/66/380876466.db2.gz PXUFAPVVSZSLGT-UHFFFAOYSA-N 0 3 289.379 3.049 20 30 CGEDHN CCCC(O)(CCC)CNCc1ccc(C#N)c(F)c1 ZINC000421338236 380879676 /nfs/dbraw/zinc/87/96/76/380879676.db2.gz BWTRRYVTNVUUEX-UHFFFAOYSA-N 0 3 278.371 3.118 20 30 CGEDHN C[C@@H]1CCN(CCOc2ccccc2C#N)CC12CCC2 ZINC000357022481 380995245 /nfs/dbraw/zinc/99/52/45/380995245.db2.gz JXDMKVZXADOVRH-OAHLLOKOSA-N 0 3 284.403 3.449 20 30 CGEDHN N#Cc1ncccc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000357519423 381191123 /nfs/dbraw/zinc/19/11/23/381191123.db2.gz XOYLLSNIYOBHDB-INIZCTEOSA-N 0 3 292.386 3.030 20 30 CGEDHN C=C(CC)CN(C)Cc1cc(OC)c(OC)cc1C ZINC000358622132 381319439 /nfs/dbraw/zinc/31/94/39/381319439.db2.gz BZLNLUPYLVVJHO-UHFFFAOYSA-N 0 3 263.381 3.410 20 30 CGEDHN Cn1cc(CN2CC(C)(C)CC(C)(C)C2)cc1C#N ZINC000361594782 381825345 /nfs/dbraw/zinc/82/53/45/381825345.db2.gz QGXWLWSZGFBQDD-UHFFFAOYSA-N 0 3 259.397 3.155 20 30 CGEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000362378338 381963105 /nfs/dbraw/zinc/96/31/05/381963105.db2.gz DOZHQBARMOYTSQ-TZMCWYRMSA-N 0 3 295.452 3.005 20 30 CGEDHN CC(C)[C@@H]1CN(CCOc2ccc(C#N)cc2)CCS1 ZINC000362385198 381968437 /nfs/dbraw/zinc/96/84/37/381968437.db2.gz UKBSECBYPQDZSE-INIZCTEOSA-N 0 3 290.432 3.010 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]2[C@H]2CCCOC2)ccc1F ZINC000335379124 208319878 /nfs/dbraw/zinc/31/98/78/208319878.db2.gz JNLKLNGNNGDTEN-YOEHRIQHSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000289311727 197292660 /nfs/dbraw/zinc/29/26/60/197292660.db2.gz JGATVBVEWNALFQ-SFHVURJKSA-N 0 3 277.371 3.333 20 30 CGEDHN COc1cc(CN2CC[C@@H](CC(C)C)C2)ccc1C#N ZINC000307772469 542422214 /nfs/dbraw/zinc/42/22/14/542422214.db2.gz IHQURJHTNXDSGI-HNNXBMFYSA-N 0 3 272.392 3.435 20 30 CGEDHN C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)N1CCCCCC1 ZINC000344468993 533184623 /nfs/dbraw/zinc/18/46/23/533184623.db2.gz DAUIWCBUCHTEBU-HNNXBMFYSA-N 0 3 293.455 3.039 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000308645177 542423828 /nfs/dbraw/zinc/42/38/28/542423828.db2.gz HCYLSPXNRRCQFZ-DTWKUNHWSA-N 0 3 255.159 3.069 20 30 CGEDHN COc1ccc(C(C)(C)CNCc2ccc(C#N)o2)cc1 ZINC000174352644 533364242 /nfs/dbraw/zinc/36/42/42/533364242.db2.gz HBKMZXAAOXHZQX-UHFFFAOYSA-N 0 3 284.359 3.227 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C)CC1 ZINC000068838074 392168063 /nfs/dbraw/zinc/16/80/63/392168063.db2.gz ABLJHPBSGJJVHH-KGLIPLIRSA-N 0 3 285.391 3.007 20 30 CGEDHN Fc1ccc(C#CCN2CCC3(CCOCC3)CC2)cc1 ZINC000284932945 392316052 /nfs/dbraw/zinc/31/60/52/392316052.db2.gz YLARNILXKFJRDD-UHFFFAOYSA-N 0 3 287.378 3.070 20 30 CGEDHN CC(C)(C)N1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000286359336 392381531 /nfs/dbraw/zinc/38/15/31/392381531.db2.gz LJSHQSIGWJPXQJ-UHFFFAOYSA-N 0 3 298.843 3.343 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000121705291 392415739 /nfs/dbraw/zinc/41/57/39/392415739.db2.gz LHHGUSUBKGCSOI-VIFPVBQESA-N 0 3 291.763 3.351 20 30 CGEDHN N#CCCCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121704952 392416019 /nfs/dbraw/zinc/41/60/19/392416019.db2.gz JCFLAUHBZGXMRK-CYBMUJFWSA-N 0 3 276.405 3.479 20 30 CGEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccc(C)c1C)C(C)C ZINC000289621424 392426393 /nfs/dbraw/zinc/42/63/93/392426393.db2.gz WJHQHLCUWPWVOX-HOCLYGCPSA-N 0 3 286.419 3.268 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000289657247 392427832 /nfs/dbraw/zinc/42/78/32/392427832.db2.gz CNMVVZBCXPJEQM-SFHVURJKSA-N 0 3 262.356 3.400 20 30 CGEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccccc1CC)C(C)C ZINC000289650309 392428795 /nfs/dbraw/zinc/42/87/95/392428795.db2.gz XZANQXLSONYSOF-ZBFHGGJFSA-N 0 3 286.419 3.214 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC)c2ccccc21 ZINC000289716945 392430081 /nfs/dbraw/zinc/43/00/81/392430081.db2.gz JJIHMINHHUGUNK-STQMWFEESA-N 0 3 271.360 3.046 20 30 CGEDHN C=CCC[C@H](CC)NCc1csc(COC)n1 ZINC000289804831 392432631 /nfs/dbraw/zinc/43/26/31/392432631.db2.gz ODPJNNHLJNAOPY-NSHDSACASA-N 0 3 254.399 3.124 20 30 CGEDHN C=CCCCCCCNCc1cn(C(C)(C)C)nn1 ZINC000290066077 392440133 /nfs/dbraw/zinc/44/01/33/392440133.db2.gz HQBVJXIVHAPIDJ-UHFFFAOYSA-N 0 3 264.417 3.259 20 30 CGEDHN C=CCCOCCN[C@@H]1CCc2c1ccc(OC)c2F ZINC000290525242 392449295 /nfs/dbraw/zinc/44/92/95/392449295.db2.gz ZCWIMOCCLCAXKW-CQSZACIVSA-N 0 3 279.355 3.004 20 30 CGEDHN Cc1cc(CNCc2ccc(C#N)s2)cc(C)c1O ZINC000362062154 392397730 /nfs/dbraw/zinc/39/77/30/392397730.db2.gz CXUFZNBVEFKMDF-UHFFFAOYSA-N 0 3 272.373 3.232 20 30 CGEDHN O[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C12CCCC2 ZINC000292710177 392510119 /nfs/dbraw/zinc/51/01/19/392510119.db2.gz LKNAYZWHPXNCNG-MRXNPFEDSA-N 0 3 289.806 3.071 20 30 CGEDHN COC[C@@]1(C)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000296970105 392565359 /nfs/dbraw/zinc/56/53/59/392565359.db2.gz YQRDCTVXITYAKI-INIZCTEOSA-N 0 3 277.795 3.050 20 30 CGEDHN COC[C@H]1CCCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000372095092 392583446 /nfs/dbraw/zinc/58/34/46/392583446.db2.gz MVTJKUFZWNVHRQ-HNNXBMFYSA-N 0 3 297.402 3.059 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccncc2Cl)CC1 ZINC000301532721 392593459 /nfs/dbraw/zinc/59/34/59/392593459.db2.gz SIXGKCRZJKYVHL-UHFFFAOYSA-N 0 3 265.788 3.187 20 30 CGEDHN CC[C@H]1CCCCN1CCNc1cc(C(C)=O)ccc1C#N ZINC000302122227 392610499 /nfs/dbraw/zinc/61/04/99/392610499.db2.gz UVALUYZTARNOJN-KRWDZBQOSA-N 0 3 299.418 3.437 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000302846602 392621168 /nfs/dbraw/zinc/62/11/68/392621168.db2.gz JLNSDDONKFJPHV-CVEARBPZSA-N 0 3 278.440 3.066 20 30 CGEDHN Cn1cnc2cc(CN3CCC(CCC#N)CC3)ccc21 ZINC000519711948 392885513 /nfs/dbraw/zinc/88/55/13/392885513.db2.gz UYBXQFSZBOHMRT-UHFFFAOYSA-N 0 3 282.391 3.089 20 30 CGEDHN C=CCC[N@@H+](C)Cc1ccc([O-])c2nc(C)ccc12 ZINC000338359973 392912496 /nfs/dbraw/zinc/91/24/96/392912496.db2.gz JONUAQVMOSAVJC-UHFFFAOYSA-N 0 3 256.349 3.257 20 30 CGEDHN C=CCC[N@H+](C)Cc1ccc([O-])c2nc(C)ccc12 ZINC000338359973 392912500 /nfs/dbraw/zinc/91/25/00/392912500.db2.gz JONUAQVMOSAVJC-UHFFFAOYSA-N 0 3 256.349 3.257 20 30 CGEDHN C=CCCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338757932 392926608 /nfs/dbraw/zinc/92/66/08/392926608.db2.gz RAABCLFTKIMMSX-AWEZNQCLSA-N 0 3 280.799 3.025 20 30 CGEDHN C=CCOCCN(CC)[C@H](C)c1ccc(F)cc1 ZINC000338924329 392936673 /nfs/dbraw/zinc/93/66/73/392936673.db2.gz HMJGORZULNYXTK-CYBMUJFWSA-N 0 3 251.345 3.411 20 30 CGEDHN CC[C@H](NCCOCCC#N)c1ccc(Cl)s1 ZINC000339082726 392945120 /nfs/dbraw/zinc/94/51/20/392945120.db2.gz CIOQWGWWKRLUOQ-JTQLQIEISA-N 0 3 272.801 3.372 20 30 CGEDHN CC[C@@H](NCCOCCC#N)c1cccc(Cl)c1 ZINC000339065161 392945922 /nfs/dbraw/zinc/94/59/22/392945922.db2.gz JMYQFFWYTHOLJK-CQSZACIVSA-N 0 3 266.772 3.311 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC(c2cccc(F)c2F)CC1 ZINC000575105958 335065870 /nfs/dbraw/zinc/06/58/70/335065870.db2.gz SCVSXSAVVCBXKY-CQSZACIVSA-N 0 3 295.373 3.471 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411790111 392988491 /nfs/dbraw/zinc/98/84/91/392988491.db2.gz GIRKTSBNWHLPRK-ZFWWWQNUSA-N 0 3 287.363 3.466 20 30 CGEDHN COc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000412024034 392992992 /nfs/dbraw/zinc/99/29/92/392992992.db2.gz BCSNTBGUJTZDCA-DGCLKSJQSA-N 0 3 278.783 3.473 20 30 CGEDHN CC(C)CCN(CCC#N)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000412166464 392996776 /nfs/dbraw/zinc/99/67/76/392996776.db2.gz FVCRBEMGNDCXAW-JYJNAYRXSA-N 0 3 293.455 3.036 20 30 CGEDHN C=CCCC1(C(=O)N2CCCN(CC3CCC3)CC2)CC1 ZINC000412320724 393000200 /nfs/dbraw/zinc/00/02/00/393000200.db2.gz WVYYHSKPUGJAQM-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN CC(C)(C#N)CCN1CC=C(c2ccc(O)cc2)CC1 ZINC000345735085 393066409 /nfs/dbraw/zinc/06/64/09/393066409.db2.gz LKEBPGWJTYDFCU-UHFFFAOYSA-N 0 3 270.376 3.421 20 30 CGEDHN C=CCN(Cc1ccnc(C)n1)CC1CCCCC1 ZINC000351588519 393194034 /nfs/dbraw/zinc/19/40/34/393194034.db2.gz IZWGRLXPUKYDGB-UHFFFAOYSA-N 0 3 259.397 3.353 20 30 CGEDHN C=CCC[C@H](CO)NCc1c(Cl)ccc2cccnc21 ZINC000648821773 393264104 /nfs/dbraw/zinc/26/41/04/393264104.db2.gz KLMNCYAPGXFSSV-CYBMUJFWSA-N 0 3 290.794 3.305 20 30 CGEDHN CCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356096283 393356444 /nfs/dbraw/zinc/35/64/44/393356444.db2.gz ZFLAUEFTHVUCSN-UHFFFAOYSA-N 0 3 256.271 3.419 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000429706708 393496502 /nfs/dbraw/zinc/49/65/02/393496502.db2.gz HBOUQOAHIDMYNX-HNNXBMFYSA-N 0 3 271.408 3.059 20 30 CGEDHN C=C(CC)CN1CCC(c2ccc(OC)cn2)CC1 ZINC000649651701 393526573 /nfs/dbraw/zinc/52/65/73/393526573.db2.gz WZSFXYBWKAILBG-UHFFFAOYSA-N 0 3 260.381 3.236 20 30 CGEDHN Cc1cc(CN2CCSC[C@@H](C)C2)ccc1C#N ZINC000489009469 393570372 /nfs/dbraw/zinc/57/03/72/393570372.db2.gz ISVHUMYKQCJCJG-LBPRGKRZSA-N 0 3 260.406 3.052 20 30 CGEDHN Cc1cc(CNCc2ccccc2N(C)C)ccc1C#N ZINC000443999409 393782357 /nfs/dbraw/zinc/78/23/57/393782357.db2.gz SXFJQRTURKEYOH-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN C=CCOc1ccccc1C(=O)C(C#N)c1ccccn1 ZINC000041481428 397611399 /nfs/dbraw/zinc/61/13/99/397611399.db2.gz CFQNBDFLUHZQMX-AWEZNQCLSA-N 0 3 278.311 3.136 20 30 CGEDHN Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000062051390 397637618 /nfs/dbraw/zinc/63/76/18/397637618.db2.gz GHHDPTSGTVSKGG-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN C=C(CC)CN1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000649779054 397718703 /nfs/dbraw/zinc/71/87/03/397718703.db2.gz HPVDTIDRBKWAEP-ZFWWWQNUSA-N 0 3 289.423 3.414 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H]1C ZINC000488303447 397707221 /nfs/dbraw/zinc/70/72/21/397707221.db2.gz UUXDQXATBMWOPR-GXTWGEPZSA-N 0 3 260.337 3.239 20 30 CGEDHN COCC#CCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000649876453 397742472 /nfs/dbraw/zinc/74/24/72/397742472.db2.gz BHSZUNRNPYCAJT-OAHLLOKOSA-N 0 3 281.758 3.170 20 30 CGEDHN N#CC(C(=O)c1cncc(F)c1)c1ccc2ccccc2n1 ZINC000675268607 543324875 /nfs/dbraw/zinc/32/48/75/543324875.db2.gz UIENTABKEPYLSR-CQSZACIVSA-N 0 3 291.285 3.259 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000677480350 543451249 /nfs/dbraw/zinc/45/12/49/543451249.db2.gz XLFXUZZODPRLFU-JKSUJKDBSA-N 0 3 263.356 3.194 20 30 CGEDHN COCC#CCN1CCC[C@@H]1c1cccc(C)c1C ZINC000677818341 543467288 /nfs/dbraw/zinc/46/72/88/543467288.db2.gz ZUSMELOCRGMVBH-QGZVFWFLSA-N 0 3 257.377 3.090 20 30 CGEDHN CO[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000295150970 286061891 /nfs/dbraw/zinc/06/18/91/286061891.db2.gz AGKOVWLMWGCGKI-CJNGLKHVSA-N 0 3 272.392 3.366 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000678756375 543553479 /nfs/dbraw/zinc/55/34/79/543553479.db2.gz DUKMTKUEMACGKF-UKRRQHHQSA-N 0 3 273.376 3.300 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000678779660 543557375 /nfs/dbraw/zinc/55/73/75/543557375.db2.gz LRQWYOPIDDGCIV-HUUCEWRRSA-N 0 3 267.376 3.325 20 30 CGEDHN COCC#CCN[C@@H](c1ccccc1C)C(C)(C)C ZINC000678786005 543558580 /nfs/dbraw/zinc/55/85/80/543558580.db2.gz WMQZGYHQWQPEJF-INIZCTEOSA-N 0 3 259.393 3.322 20 30 CGEDHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755723 287027930 /nfs/dbraw/zinc/02/79/30/287027930.db2.gz SRZXGBDKSAXQIF-ZDUSSCGKSA-N 0 3 293.370 3.367 20 30 CGEDHN N#Cc1cccc(CNC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000066971941 165038215 /nfs/dbraw/zinc/03/82/15/165038215.db2.gz FQPIFQSODMHFMC-XBXARRHUSA-N 0 3 293.326 3.269 20 30 CGEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000037217930 173036270 /nfs/dbraw/zinc/03/62/70/173036270.db2.gz KABFRHGKGFEXJR-CHWSQXEVSA-N 0 3 251.333 3.365 20 30 CGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCCCC1 ZINC000070921484 176011626 /nfs/dbraw/zinc/01/16/26/176011626.db2.gz HGZHPRFTIBYZRP-INIZCTEOSA-N 0 3 299.418 3.198 20 30 CGEDHN COc1ccccc1[C@@H](CC(C)C)NC(=O)C(C)C#N ZINC000349572288 416541749 /nfs/dbraw/zinc/54/17/49/416541749.db2.gz YVIVYCGXAPCOIL-GXTWGEPZSA-N 0 3 274.364 3.058 20 30 CGEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2=O)c1ccccn1 ZINC000344739428 225146826 /nfs/dbraw/zinc/14/68/26/225146826.db2.gz NJLCIUZJFHOADU-OAHLLOKOSA-N 0 3 290.322 3.091 20 30 CGEDHN CCC#C[C@@H](C)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679871865 543666300 /nfs/dbraw/zinc/66/63/00/543666300.db2.gz BCPKPLRPXYNIDX-CHWSQXEVSA-N 0 3 299.340 3.341 20 30 CGEDHN CC#CCCN(CCOC)Cc1ccc(C)cc1C ZINC000680883368 543741603 /nfs/dbraw/zinc/74/16/03/543741603.db2.gz OLXZJSQKSLODDD-UHFFFAOYSA-N 0 3 259.393 3.165 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000680405881 543709430 /nfs/dbraw/zinc/70/94/30/543709430.db2.gz NSCBYZZPPOCLBL-JSGCOSHPSA-N 0 3 289.375 3.419 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc(-c2ccccc2)ccc1OC ZINC000680484889 543714765 /nfs/dbraw/zinc/71/47/65/543714765.db2.gz QBCPBTHMZOBICJ-SFHVURJKSA-N 0 3 297.398 3.389 20 30 CGEDHN C=C(C)CCN1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000681398748 543786259 /nfs/dbraw/zinc/78/62/59/543786259.db2.gz PZYFXTIEFWWKHO-UHFFFAOYSA-N 0 3 288.435 3.087 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000681472106 543789563 /nfs/dbraw/zinc/78/95/63/543789563.db2.gz MRJQDDUVDLYUEY-INIZCTEOSA-N 0 3 279.811 3.456 20 30 CGEDHN C=C(C)CCN1CCN(c2ccccc2F)C[C@H]1C ZINC000682778461 543868433 /nfs/dbraw/zinc/86/84/33/543868433.db2.gz DESLEUFLFIZZJP-CQSZACIVSA-N 0 3 262.372 3.302 20 30 CGEDHN Cc1nc2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2s1 ZINC000335284398 226227292 /nfs/dbraw/zinc/22/72/92/226227292.db2.gz APQFPYQONWAUFR-WCQYABFASA-N 0 3 271.389 3.387 20 30 CGEDHN C=CCC1(NC(=O)Nc2ccccc2CNC)CCCC1 ZINC000659018363 418956634 /nfs/dbraw/zinc/95/66/34/418956634.db2.gz DSVINSLAXXWAFS-UHFFFAOYSA-N 0 3 287.407 3.416 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@H]2[C@@H](C)CCC)nn1 ZINC000653570899 419051542 /nfs/dbraw/zinc/05/15/42/419051542.db2.gz JAXMKJTTZJNAKH-HOCLYGCPSA-N 0 3 276.428 3.255 20 30 CGEDHN C=C[C@H]1CCCCN1CCc1noc2ccccc21 ZINC000653648373 419065247 /nfs/dbraw/zinc/06/52/47/419065247.db2.gz UKYDIAJZCXGULC-ZDUSSCGKSA-N 0 3 256.349 3.411 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)CCCC(C)C)nn1 ZINC000657286237 419243219 /nfs/dbraw/zinc/24/32/19/419243219.db2.gz WOPOGEQWFGVQNN-CQSZACIVSA-N 0 3 264.417 3.159 20 30 CGEDHN C=CCCn1cc(CNC[C@H](CC)c2ccccc2)nn1 ZINC000657292068 419243977 /nfs/dbraw/zinc/24/39/77/419243977.db2.gz GPHOCKUTOOWBKM-HNNXBMFYSA-N 0 3 284.407 3.138 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000661378328 419256052 /nfs/dbraw/zinc/25/60/52/419256052.db2.gz CVCPGUIUEZVOMS-AWEZNQCLSA-N 0 3 284.407 3.065 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnc3ccccc3n2)C1 ZINC000661386700 419256656 /nfs/dbraw/zinc/25/66/56/419256656.db2.gz UOVSAFSALZZUCT-CQSZACIVSA-N 0 3 267.376 3.418 20 30 CGEDHN C=CCCn1cc(CNC[C@H](C)c2ccc(C)cc2)nn1 ZINC000657369016 419262367 /nfs/dbraw/zinc/26/23/67/419262367.db2.gz WSCVLPKZQBXJPX-HNNXBMFYSA-N 0 3 284.407 3.056 20 30 CGEDHN C=CCOCCN[C@H](c1ccccc1F)C(C)C ZINC000661485952 419264613 /nfs/dbraw/zinc/26/46/13/419264613.db2.gz RLTJVHQOCHUGNU-HNNXBMFYSA-N 0 3 251.345 3.315 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)[C@@H]1CC1(F)F ZINC000666444925 419218268 /nfs/dbraw/zinc/21/82/68/419218268.db2.gz MEQCZDKPVKCMKJ-AAEUAGOBSA-N 0 3 267.319 3.385 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1nccn1CC ZINC000666459494 419219564 /nfs/dbraw/zinc/21/95/64/419219564.db2.gz BOBXIJLUFJYOSV-MRXNPFEDSA-N 0 3 269.392 3.180 20 30 CGEDHN C=CCC1(NCC(=O)Nc2ccc(F)cc2F)CCCC1 ZINC000661866724 419308992 /nfs/dbraw/zinc/30/89/92/419308992.db2.gz ULMODGYKNKNGJG-UHFFFAOYSA-N 0 3 294.345 3.382 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000332031351 228144333 /nfs/dbraw/zinc/14/43/33/228144333.db2.gz SBEDCGHEIQITTL-FRRDWIJNSA-N 0 3 250.386 3.257 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCC(=O)c1ccccc1 ZINC000662090314 419334654 /nfs/dbraw/zinc/33/46/54/419334654.db2.gz MLLUTICQFQMKOC-IYBDPMFKSA-N 0 3 255.361 3.442 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](CO)c1ccc(F)cc1F ZINC000662165250 419350526 /nfs/dbraw/zinc/35/05/26/419350526.db2.gz MDGPRQFZHDEQLF-XHDPSFHLSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C[C@H](CO)NC/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000657791347 419353602 /nfs/dbraw/zinc/35/36/02/419353602.db2.gz PDGDGDVYSVGQBW-DPQIITEBSA-N 0 3 285.309 3.245 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc2n1CCCCC2 ZINC000657819524 419368473 /nfs/dbraw/zinc/36/84/73/419368473.db2.gz GPSCZOVJFHTWKU-GJZGRUSLSA-N 0 3 288.439 3.229 20 30 CGEDHN C=CCC[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1ccco1 ZINC000658251995 419706334 /nfs/dbraw/zinc/70/63/34/419706334.db2.gz PRNXFWBOHDNLAO-NWANDNLSSA-N 0 3 261.365 3.180 20 30 CGEDHN C=CCCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000116816582 260005813 /nfs/dbraw/zinc/00/58/13/260005813.db2.gz HAXMNPYDUAAKIN-UHFFFAOYSA-N 0 3 296.798 3.185 20 30 CGEDHN C=CCCCN(CCC)CC(=O)Nc1ccccc1OC ZINC000117870806 260116522 /nfs/dbraw/zinc/11/65/22/260116522.db2.gz PVPRVFONLRFQLU-UHFFFAOYSA-N 0 3 290.407 3.312 20 30 CGEDHN C=C(C)[C@H](NCCc1cncn1C)c1ccc(F)c(F)c1 ZINC000298545233 260156364 /nfs/dbraw/zinc/15/63/64/260156364.db2.gz UBKWLESFZYDIRK-INIZCTEOSA-N 0 3 291.345 3.148 20 30 CGEDHN C=CCC[C@H](NC(=O)[C@H](CC)N(C)C)c1ccccc1 ZINC000298712631 260161683 /nfs/dbraw/zinc/16/16/83/260161683.db2.gz WFYRBAHTKIMVCL-HOTGVXAUSA-N 0 3 274.408 3.150 20 30 CGEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1cccnc1 ZINC000086036366 260206853 /nfs/dbraw/zinc/20/68/53/260206853.db2.gz JPFIDQLDULGHJU-NNGSBXSVSA-N 0 3 277.371 3.356 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000370809570 260632870 /nfs/dbraw/zinc/63/28/70/260632870.db2.gz INDXOPWHYHMXQI-QGZVFWFLSA-N 0 3 286.419 3.124 20 30 CGEDHN Cc1ccc(C)c(N2CCN(CCCCC#N)CC2)c1 ZINC000164641123 261356222 /nfs/dbraw/zinc/35/62/22/261356222.db2.gz DHYGZLVWGOKVSL-UHFFFAOYSA-N 0 3 271.408 3.119 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1cc(C)c(Br)s1 ZINC000336761519 262145627 /nfs/dbraw/zinc/14/56/27/262145627.db2.gz NGHWLMNWBRKTGA-BDAKNGLRSA-N 0 3 290.226 3.017 20 30 CGEDHN COc1ccc(F)cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000193311468 262220640 /nfs/dbraw/zinc/22/06/40/262220640.db2.gz MJZRNYNOZYTBHU-BXUZGUMPSA-N 0 3 262.328 3.006 20 30 CGEDHN CCO[C@@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000193429823 262222081 /nfs/dbraw/zinc/22/20/81/262222081.db2.gz BFCCUCCDEFGSFK-XIRDDKMYSA-N 0 3 272.392 3.436 20 30 CGEDHN C=C(CC)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495627040 262283013 /nfs/dbraw/zinc/28/30/13/262283013.db2.gz TWBUWHXJOZNWTD-ZIAGYGMSSA-N 0 3 282.428 3.330 20 30 CGEDHN C=C(C)CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000161032529 262307533 /nfs/dbraw/zinc/30/75/33/262307533.db2.gz JVZKVUZAAPYIFA-UHFFFAOYSA-N 0 3 267.756 3.167 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1coc(C)c1)C(C)C ZINC000186913160 262328273 /nfs/dbraw/zinc/32/82/73/262328273.db2.gz QVFBUNGORBQNEY-MRXNPFEDSA-N 0 3 290.407 3.016 20 30 CGEDHN CC(C)OC[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000337253196 262441037 /nfs/dbraw/zinc/44/10/37/262441037.db2.gz LMSVRKYAYGXUOL-ZBFHGGJFSA-N 0 3 260.381 3.435 20 30 CGEDHN CCCCCCCCNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000366178765 262566027 /nfs/dbraw/zinc/56/60/27/262566027.db2.gz OLXNHHKLOVGNIT-QGZVFWFLSA-N 0 3 295.471 3.084 20 30 CGEDHN CCOc1cc(CNCCCC#N)ccc1OC(F)F ZINC000273047657 263011594 /nfs/dbraw/zinc/01/15/94/263011594.db2.gz JSRYQRWIGDVXHF-UHFFFAOYSA-N 0 3 284.306 3.080 20 30 CGEDHN C[C@H](CCC#N)N(C)CCOc1ccc(Cl)cc1 ZINC000276280725 263035612 /nfs/dbraw/zinc/03/56/12/263035612.db2.gz FUYNTQBMACDDKR-GFCCVEGCSA-N 0 3 266.772 3.343 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(N(C)c2ccccc2)CC1 ZINC000276316863 263036007 /nfs/dbraw/zinc/03/60/07/263036007.db2.gz NRPCTRRZYRJKRV-HNNXBMFYSA-N 0 3 271.408 3.279 20 30 CGEDHN CCCCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279498173 263055882 /nfs/dbraw/zinc/05/58/82/263055882.db2.gz QCXVXAOBACHEMU-YOEHRIQHSA-N 0 3 297.402 3.326 20 30 CGEDHN N#CC1CCC(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000282210510 263075071 /nfs/dbraw/zinc/07/50/71/263075071.db2.gz DIFASHKWCPSCBJ-UHFFFAOYSA-N 0 3 273.336 3.014 20 30 CGEDHN Cc1nc([C@H](C)NCC2CCC(C#N)CC2)cs1 ZINC000282394375 263076386 /nfs/dbraw/zinc/07/63/86/263076386.db2.gz RGNDTWONIUUHAQ-PKSQDBQZSA-N 0 3 263.410 3.432 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](Oc3ccc(Cl)cc3)C2)C1 ZINC000293147536 263138378 /nfs/dbraw/zinc/13/83/78/263138378.db2.gz UBRJTOALGSQGPX-XPKDYRNWSA-N 0 3 290.794 3.485 20 30 CGEDHN CSCc1cnc(CNCC2CCC(C#N)CC2)s1 ZINC000293185000 263138499 /nfs/dbraw/zinc/13/84/99/263138499.db2.gz HOSVHDDBPHNEDG-UHFFFAOYSA-N 0 3 295.477 3.426 20 30 CGEDHN CCn1nc(CN[C@H]2CC[C@@H](CC#N)C2)c2ccccc21 ZINC000294923275 263169597 /nfs/dbraw/zinc/16/95/97/263169597.db2.gz BBBPNGUCKXWXKI-KBPBESRZSA-N 0 3 282.391 3.228 20 30 CGEDHN CC[C@@H](CC#N)NC[C@@H](C)c1cc(F)cc(F)c1 ZINC000294975370 263170254 /nfs/dbraw/zinc/17/02/54/263170254.db2.gz FWPDBQNOJHJGDX-YGRLFVJLSA-N 0 3 252.308 3.350 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000353581135 263194271 /nfs/dbraw/zinc/19/42/71/263194271.db2.gz YNQVQTVIJPGDQJ-JQWIXIFHSA-N 0 3 287.375 3.241 20 30 CGEDHN C[C@H](CCC#N)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000298557471 263222055 /nfs/dbraw/zinc/22/20/55/263222055.db2.gz OZRFZFXCPJSFGR-BYCMXARLSA-N 0 3 278.783 3.452 20 30 CGEDHN CCCN(CC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000299114364 263230947 /nfs/dbraw/zinc/23/09/47/263230947.db2.gz ABYAZZSQJKROQD-UHFFFAOYSA-N 0 3 299.418 3.048 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2nc(CC)sc21 ZINC000453362786 263252309 /nfs/dbraw/zinc/25/23/09/263252309.db2.gz PNZSQFQFFGQZAH-WZRBSPASSA-N 0 3 278.421 3.016 20 30 CGEDHN CC(C)CN(CC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000340909320 263314332 /nfs/dbraw/zinc/31/43/32/263314332.db2.gz FTQQXWSHWUHNIO-UHFFFAOYSA-N 0 3 293.455 3.038 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccccc1Cl ZINC000341890199 263364377 /nfs/dbraw/zinc/36/43/77/263364377.db2.gz SRMCSLWKPHLIGN-RYUDHWBXSA-N 0 3 253.773 3.175 20 30 CGEDHN COCC1(C#N)CCN(CCCc2ccc(C)cc2)CC1 ZINC000341980123 263369860 /nfs/dbraw/zinc/36/98/60/263369860.db2.gz CFPGPCRKBKLVNN-UHFFFAOYSA-N 0 3 286.419 3.180 20 30 CGEDHN C=C1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000342185063 263395026 /nfs/dbraw/zinc/39/50/26/263395026.db2.gz RZSDYWKCWRFGPZ-MRXNPFEDSA-N 0 3 289.419 3.202 20 30 CGEDHN C=CCn1cc(CNCC[C@@H](C)CCC=C(C)C)nn1 ZINC000425351121 264026647 /nfs/dbraw/zinc/02/66/47/264026647.db2.gz ITLHGINKSMTWNG-HNNXBMFYSA-N 0 3 276.428 3.326 20 30 CGEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000331210600 264162369 /nfs/dbraw/zinc/16/23/69/264162369.db2.gz XRMLOWMWGQEARX-PVAVHDDUSA-N 0 3 284.403 3.454 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000052921002 264185688 /nfs/dbraw/zinc/18/56/88/264185688.db2.gz KMSDZISVXFVMTQ-UHFFFAOYSA-N 0 3 271.307 3.305 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCCC[C@@H]1SCC ZINC000189522321 264304288 /nfs/dbraw/zinc/30/42/88/264304288.db2.gz FCVIGDGAHHZOSF-GJZGRUSLSA-N 0 3 298.496 3.065 20 30 CGEDHN C=C(C)CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844716 264518577 /nfs/dbraw/zinc/51/85/77/264518577.db2.gz CATBFQPJZUVUTG-NSHDSACASA-N 0 3 273.302 3.115 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000320683771 265017116 /nfs/dbraw/zinc/01/71/16/265017116.db2.gz VGVJQSARGSZWJR-OCCSQVGLSA-N 0 3 289.375 3.419 20 30 CGEDHN C=CCC[C@H](CO)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000320738378 265026473 /nfs/dbraw/zinc/02/64/73/265026473.db2.gz LQPSOPIDOVKXCP-CYBMUJFWSA-N 0 3 291.288 3.261 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1nc(C)ccc1C#N)C(C)C ZINC000341747138 265590471 /nfs/dbraw/zinc/59/04/71/265590471.db2.gz XUXBOROZNRYGDN-KRWDZBQOSA-N 0 3 298.434 3.372 20 30 CGEDHN C=CCSCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353260780 266036898 /nfs/dbraw/zinc/03/68/98/266036898.db2.gz GJNXZAHOGOJDMH-HNNXBMFYSA-N 0 3 258.390 3.054 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](n2cc(C)cn2)C1 ZINC000356537431 266133123 /nfs/dbraw/zinc/13/31/23/266133123.db2.gz ZBTQBFYKUSJWGV-KRWDZBQOSA-N 0 3 297.402 3.203 20 30 CGEDHN COc1cccc([C@H](CNCc2ccc(C#N)cc2)OC)c1 ZINC000527740494 270133568 /nfs/dbraw/zinc/13/35/68/270133568.db2.gz SXXUOSYWKLJZOZ-SFHVURJKSA-N 0 3 296.370 3.044 20 30 CGEDHN CC(C)c1nc(C2CCN(CCC(C)(C)C#N)CC2)no1 ZINC000367756552 267115427 /nfs/dbraw/zinc/11/54/27/267115427.db2.gz XDXGKXGKSICWJL-UHFFFAOYSA-N 0 3 290.411 3.312 20 30 CGEDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000527782166 267155131 /nfs/dbraw/zinc/15/51/31/267155131.db2.gz AOACBKGKSJJQHB-KGLIPLIRSA-N 0 3 298.308 3.234 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc(C#N)cc1 ZINC000430726795 267194857 /nfs/dbraw/zinc/19/48/57/267194857.db2.gz WDGADYLVXXCJAL-OAHLLOKOSA-N 0 3 253.349 3.293 20 30 CGEDHN CCCCCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000119126042 267302332 /nfs/dbraw/zinc/30/23/32/267302332.db2.gz KVUYRFLARRVQMN-CVEARBPZSA-N 0 3 280.456 3.290 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000528757763 270171258 /nfs/dbraw/zinc/17/12/58/270171258.db2.gz FVDQOPJLJWBGTL-ZVXAKGHKSA-N 0 3 278.783 3.113 20 30 CGEDHN N#Cc1ccc(C2(N[C@H]3C=CCCC3)CCOCC2)cc1 ZINC000528784917 270173256 /nfs/dbraw/zinc/17/32/56/270173256.db2.gz UTWRFEXOPSFCGZ-KRWDZBQOSA-N 0 3 282.387 3.262 20 30 CGEDHN N#Cc1cc(CN[C@@H](c2cccnc2)C2CC2)ccc1F ZINC000526084706 268179451 /nfs/dbraw/zinc/17/94/51/268179451.db2.gz PTIZASRRXBGCPT-QGZVFWFLSA-N 0 3 281.334 3.333 20 30 CGEDHN CC(C)(C#N)CCN1CCC2(CC1)OCc1ccccc12 ZINC000367008797 273497409 /nfs/dbraw/zinc/49/74/09/273497409.db2.gz ZIAKHPMCWGAKGQ-UHFFFAOYSA-N 0 3 284.403 3.448 20 30 CGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)O1 ZINC000294971414 274391643 /nfs/dbraw/zinc/39/16/43/274391643.db2.gz FPPVIMJSPJDKNC-TYNCELHUSA-N 0 3 297.320 3.212 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000191658483 274927744 /nfs/dbraw/zinc/92/77/44/274927744.db2.gz BKYOUYDGJRFNIJ-KRWDZBQOSA-N 0 3 278.355 3.431 20 30 CGEDHN CN(C)c1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353265050 276889015 /nfs/dbraw/zinc/88/90/15/276889015.db2.gz IFPUGEQEVONFSF-SFHVURJKSA-N 0 3 291.398 3.401 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000339528051 277728834 /nfs/dbraw/zinc/72/88/34/277728834.db2.gz MGUFOBMULTXLQL-CQSZACIVSA-N 0 3 298.308 3.092 20 30 CGEDHN COc1cc(CN[C@H]2CCc3c2cccc3F)ccc1C#N ZINC000281795281 277819982 /nfs/dbraw/zinc/81/99/82/277819982.db2.gz UXARCKFIYLYZFV-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cn1)[C@@H](C)c1ccccc1 ZINC000554358521 289274102 /nfs/dbraw/zinc/27/41/02/289274102.db2.gz HREFSQVOSDYXTP-KGLIPLIRSA-N 0 3 265.360 3.235 20 30 CGEDHN CN(CCC#N)c1ccc(CNCc2ccc(O)cc2)cc1 ZINC000237199840 328005711 /nfs/dbraw/zinc/00/57/11/328005711.db2.gz QVJYANFPLCMFHE-UHFFFAOYSA-N 0 3 295.386 3.032 20 30 CGEDHN CC#CCN(C)CCCCCn1c(C)nc2ccccc21 ZINC000571065509 328083782 /nfs/dbraw/zinc/08/37/82/328083782.db2.gz ZEZRMOMMVCFFEL-UHFFFAOYSA-N 0 3 283.419 3.470 20 30 CGEDHN CCC[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)OC ZINC000293543909 328103419 /nfs/dbraw/zinc/10/34/19/328103419.db2.gz AYBYRYOUDHGVBM-XJKSGUPXSA-N 0 3 276.380 3.055 20 30 CGEDHN C[C@@H](C#N)CN(CC1CCC(F)(F)CC1)C1CC1 ZINC000459376978 329231709 /nfs/dbraw/zinc/23/17/09/329231709.db2.gz OUOMVBPPKYBKDY-NSHDSACASA-N 0 3 256.340 3.436 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)[C@@]1(C)CCCO1 ZINC000340240039 328250138 /nfs/dbraw/zinc/25/01/38/328250138.db2.gz QQUKDYHTNMVVMJ-WMLDXEAASA-N 0 3 275.392 3.299 20 30 CGEDHN C[C@@H](NCCOc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000173909317 321948508 /nfs/dbraw/zinc/94/85/08/321948508.db2.gz OSTJCKZLEUWDOW-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN CC(C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566621688 322131930 /nfs/dbraw/zinc/13/19/30/322131930.db2.gz JEKOBDFWTOKBTK-HNNXBMFYSA-N 0 3 287.363 3.477 20 30 CGEDHN COC(=O)c1cccc(CNC2(C3CCC3)CCC2)c1C#N ZINC000567218977 322154560 /nfs/dbraw/zinc/15/45/60/322154560.db2.gz CXUJJVGVARBDPO-UHFFFAOYSA-N 0 3 298.386 3.157 20 30 CGEDHN N#Cc1c(F)cccc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000569689957 322254472 /nfs/dbraw/zinc/25/44/72/322254472.db2.gz VZPKFHXJPUFFAU-LRDDRELGSA-N 0 3 258.340 3.462 20 30 CGEDHN N#CC(C(=O)c1ccccc1OCC1CC1)c1ccccn1 ZINC000102118874 328395191 /nfs/dbraw/zinc/39/51/91/328395191.db2.gz XJNMEFWZSLETSP-HNNXBMFYSA-N 0 3 292.338 3.360 20 30 CGEDHN C=C(C)COCCNCc1ccc(C(F)F)cc1 ZINC000163529039 328490050 /nfs/dbraw/zinc/49/00/50/328490050.db2.gz KLTKACPVWOJYQS-UHFFFAOYSA-N 0 3 255.308 3.307 20 30 CGEDHN CCOCC(C)(C)NCC#Cc1ccc(Cl)cc1 ZINC000292753183 328539401 /nfs/dbraw/zinc/53/94/01/328539401.db2.gz BKXXBXFRWASIEU-UHFFFAOYSA-N 0 3 265.784 3.096 20 30 CGEDHN C=CCN(CCOc1ccc(OCC)cc1)C1CC1 ZINC000357549995 327018518 /nfs/dbraw/zinc/01/85/18/327018518.db2.gz GGKLDVBQRYZIPH-UHFFFAOYSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCCCC[C@H](C)NCc1ccc(C(=O)OC)o1 ZINC000557885811 327033968 /nfs/dbraw/zinc/03/39/68/327033968.db2.gz BWEZVQNKHMLFDQ-LBPRGKRZSA-N 0 3 265.353 3.291 20 30 CGEDHN OC1([C@@H]2CCCCN2CC#Cc2ccc(Cl)cc2)CC1 ZINC000560590450 327328800 /nfs/dbraw/zinc/32/88/00/327328800.db2.gz ZPRQTVZDGUJHFI-INIZCTEOSA-N 0 3 289.806 3.071 20 30 CGEDHN CC(C)[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000582210508 328667701 /nfs/dbraw/zinc/66/77/01/328667701.db2.gz TYLSYPOZXZCBKS-VXGBXAGGSA-N 0 3 263.410 3.319 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2ccccc2n1CC ZINC000582294520 328951785 /nfs/dbraw/zinc/95/17/85/328951785.db2.gz QLQIZSZRIASIGL-RDTXWAMCSA-N 0 3 299.418 3.127 20 30 CGEDHN C#CCCCNCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000174612506 329160385 /nfs/dbraw/zinc/16/03/85/329160385.db2.gz WORJJKFWDDSKQM-UHFFFAOYSA-N 0 3 287.794 3.244 20 30 CGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[C@H]1C ZINC000177882875 329193710 /nfs/dbraw/zinc/19/37/10/329193710.db2.gz SQEDNNIBYBSYCX-OAGGEKHMSA-N 0 3 299.418 3.052 20 30 CGEDHN C=CCCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000582968019 329295315 /nfs/dbraw/zinc/29/53/15/329295315.db2.gz KGVJAVHEGMOMKR-GOSISDBHSA-N 0 3 286.419 3.124 20 30 CGEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418360681 329344783 /nfs/dbraw/zinc/34/47/83/329344783.db2.gz SUNQATSINQMQSK-CZUORRHYSA-N 0 3 289.423 3.074 20 30 CGEDHN C=CCCN(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418492073 329532500 /nfs/dbraw/zinc/53/25/00/329532500.db2.gz TZNKNRCVMBMEHE-KRWDZBQOSA-N 0 3 297.402 3.057 20 30 CGEDHN C=CC[C@H](C)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418500888 329532900 /nfs/dbraw/zinc/53/29/00/329532900.db2.gz PECRDMWCOYYJNZ-SUMWQHHRSA-N 0 3 297.402 3.103 20 30 CGEDHN C=C(C)CCNC(C)(C)c1nc2ccccc2n1C ZINC000509635021 332875730 /nfs/dbraw/zinc/87/57/30/332875730.db2.gz QOOABHXDJWVJFS-UHFFFAOYSA-N 0 3 257.381 3.364 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421852848 330088304 /nfs/dbraw/zinc/08/83/04/330088304.db2.gz IBBWVKRSUOGETC-GDLCADMTSA-N 0 3 281.783 3.343 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527906134 330290115 /nfs/dbraw/zinc/29/01/15/330290115.db2.gz LEWIGKZDMLEURZ-NHYWBVRUSA-N 0 3 283.774 3.383 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC000527972446 330301670 /nfs/dbraw/zinc/30/16/70/330301670.db2.gz DDCCZMHHCUCIPA-MJBXVCDLSA-N 0 3 288.391 3.437 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000527974917 330301826 /nfs/dbraw/zinc/30/18/26/330301826.db2.gz VPBRBTYJRQECRE-AVGNSLFASA-N 0 3 274.364 3.047 20 30 CGEDHN CCC(C#N)(CC)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000528784003 330312277 /nfs/dbraw/zinc/31/22/77/330312277.db2.gz OHYHFJCMYVTIOW-UHFFFAOYSA-N 0 3 287.407 3.325 20 30 CGEDHN C=C(C)CNCc1ccc(OCC(F)(F)F)cc1 ZINC000119616407 330377431 /nfs/dbraw/zinc/37/74/31/330377431.db2.gz BPNMAEMFEONCBQ-UHFFFAOYSA-N 0 3 259.271 3.293 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2nc(CC)sc21 ZINC000090451477 330392737 /nfs/dbraw/zinc/39/27/37/330392737.db2.gz IUGODWRGYUZZCI-LBPRGKRZSA-N 0 3 280.437 3.265 20 30 CGEDHN C=CCCCNCc1c(C)nn(CC(C)C)c1OCC ZINC000516240727 330490061 /nfs/dbraw/zinc/49/00/61/330490061.db2.gz ZXRYVGOPUDKVQW-UHFFFAOYSA-N 0 3 279.428 3.302 20 30 CGEDHN Cc1ccc(NC(=O)C[C@H](C)NCC2(CC#N)CC2)c(C)c1 ZINC000430752542 330573104 /nfs/dbraw/zinc/57/31/04/330573104.db2.gz GWPCBTFAMGBYRY-HNNXBMFYSA-N 0 3 299.418 3.304 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)c1cccc(OC)c1 ZINC000430766681 330573792 /nfs/dbraw/zinc/57/37/92/330573792.db2.gz XXTFEYLQTBXPAG-HNNXBMFYSA-N 0 3 258.365 3.430 20 30 CGEDHN C=C(CNCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000440823669 330756867 /nfs/dbraw/zinc/75/68/67/330756867.db2.gz SAHPAZSBQXGNJG-UHFFFAOYSA-N 0 3 278.355 3.370 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000442647820 330778156 /nfs/dbraw/zinc/77/81/56/330778156.db2.gz MAFHYEIEDFUBQU-OAGGEKHMSA-N 0 3 287.407 3.088 20 30 CGEDHN COc1cc(Cl)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442790404 330783862 /nfs/dbraw/zinc/78/38/62/330783862.db2.gz GGZBLPBORHGAPV-GXFFZTMASA-N 0 3 264.756 3.130 20 30 CGEDHN CN(C)c1cc(CN[C@H]2CC[C@H](C#N)C2)c2ccccc2n1 ZINC000442790836 330783880 /nfs/dbraw/zinc/78/38/80/330783880.db2.gz MIEOQUYOMNGZGS-ZFWWWQNUSA-N 0 3 294.402 3.083 20 30 CGEDHN Cc1cccc2c1OCC[C@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000442857526 330787682 /nfs/dbraw/zinc/78/76/82/330787682.db2.gz PTECNQBERGATLM-KCQAQPDRSA-N 0 3 256.349 3.101 20 30 CGEDHN C=C[C@H](C)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000447580970 330871218 /nfs/dbraw/zinc/87/12/18/330871218.db2.gz RLQYPIHWNFZFSC-JQWIXIFHSA-N 0 3 277.364 3.306 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OC(C)C)c1 ZINC000449549200 330935755 /nfs/dbraw/zinc/93/57/55/330935755.db2.gz VQJQZDPHRVBZHH-SJORKVTESA-N 0 3 275.392 3.297 20 30 CGEDHN C=CCC[C@H](C)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000449643354 330941720 /nfs/dbraw/zinc/94/17/20/330941720.db2.gz AMLYHIIZQVMVFS-RRFJBIMHSA-N 0 3 286.419 3.297 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000451479426 331031106 /nfs/dbraw/zinc/03/11/06/331031106.db2.gz MGLODZJNSHEJDV-DLBZAZTESA-N 0 3 287.378 3.115 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1Cl ZINC000451595694 331035500 /nfs/dbraw/zinc/03/55/00/331035500.db2.gz DUYGGDIHAXBIDJ-HONMWMINSA-N 0 3 251.757 3.334 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)cccc1Cl ZINC000451611166 331036940 /nfs/dbraw/zinc/03/69/40/331036940.db2.gz HZWCBXIQKYSIJG-KGLIPLIRSA-N 0 3 251.757 3.082 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000451670534 331038189 /nfs/dbraw/zinc/03/81/89/331038189.db2.gz DFGNQOVUYCAWLG-QWHCGFSZSA-N 0 3 278.396 3.037 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(SC)cc1 ZINC000453341775 331119203 /nfs/dbraw/zinc/11/92/03/331119203.db2.gz CVFCSSKWYVCFJE-GLQYFDAESA-N 0 3 263.406 3.403 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000453343254 331119598 /nfs/dbraw/zinc/11/95/98/331119598.db2.gz DXWPTQFPTPQSAN-CFVMTHIKSA-N 0 3 291.391 3.006 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453367548 331123521 /nfs/dbraw/zinc/12/35/21/331123521.db2.gz UDAXGUSCLLTTRX-XPKDYRNWSA-N 0 3 290.363 3.287 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCSc2ccc(OC)cc21 ZINC000453379065 331125353 /nfs/dbraw/zinc/12/53/53/331125353.db2.gz YVSCMNQTEQXNCW-ZNMIVQPWSA-N 0 3 291.416 3.165 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc(OCCOC)cc1 ZINC000453383564 331126202 /nfs/dbraw/zinc/12/62/02/331126202.db2.gz ZBOQJEUDQGNJJF-AWEZNQCLSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCOc1ccccc1CNCCc1ccc(C)cn1 ZINC000453595104 331135302 /nfs/dbraw/zinc/13/53/02/331135302.db2.gz DDFBTOFCNTYTTO-UHFFFAOYSA-N 0 3 282.387 3.287 20 30 CGEDHN C[C@@H]1CC[C@@H](CNCc2cccc(OCCCC#N)c2)O1 ZINC000453636351 331137467 /nfs/dbraw/zinc/13/74/67/331137467.db2.gz WTKDIYAQVVDPHV-PBHICJAKSA-N 0 3 288.391 3.026 20 30 CGEDHN C[C@@]1(NC(=O)C(C#N)CCc2ccccc2)CC=CCC1 ZINC000458336393 331249285 /nfs/dbraw/zinc/24/92/85/331249285.db2.gz LSUNLKYGMBFCHS-FUHWJXTLSA-N 0 3 282.387 3.374 20 30 CGEDHN C=C(CN[C@@H]1C[C@@H](OCC)[C@@H]1SC)c1ccccc1 ZINC000459380315 331279256 /nfs/dbraw/zinc/27/92/56/331279256.db2.gz BENIAJPAIGXKIY-BZUAXINKSA-N 0 3 277.433 3.198 20 30 CGEDHN Cc1ccc(-c2n[nH]cc2CNCC(C)(C)CC#N)cc1 ZINC000459661661 331292847 /nfs/dbraw/zinc/29/28/47/331292847.db2.gz BGYXUDVWTHKYLG-UHFFFAOYSA-N 0 3 282.391 3.415 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CC)C(CC)CC)CC1 ZINC000460266959 331308736 /nfs/dbraw/zinc/30/87/36/331308736.db2.gz LMYVKAVKELWTEW-UHFFFAOYSA-N 0 3 295.471 3.247 20 30 CGEDHN C=CCN1CCC(Nc2cc(C)c3ccc(C)cc3n2)CC1 ZINC000460962820 331309623 /nfs/dbraw/zinc/30/96/23/331309623.db2.gz WSGNGTXSZHCIOT-UHFFFAOYSA-N 0 3 295.430 3.336 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000466366308 331393521 /nfs/dbraw/zinc/39/35/21/331393521.db2.gz FXYHJYRWLLTWSD-OAHLLOKOSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCCCCCN1CCN(c2ccc(F)cn2)CC1 ZINC000488170441 331992719 /nfs/dbraw/zinc/99/27/19/331992719.db2.gz VRSJPNCIWZGFSS-UHFFFAOYSA-N 0 3 277.387 3.089 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1cc(C)ccc1C ZINC000489489992 332055870 /nfs/dbraw/zinc/05/58/70/332055870.db2.gz BWOXKALOORQCOZ-IAGOWNOFSA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@H]1CCCCN1CCOc1ccccc1OC ZINC000489493411 332056292 /nfs/dbraw/zinc/05/62/92/332056292.db2.gz SEGKBDWHWSGKOD-AWEZNQCLSA-N 0 3 261.365 3.115 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@@H](C3CC3)C2)c1 ZINC000491161176 332158861 /nfs/dbraw/zinc/15/88/61/332158861.db2.gz JUXFJFLVEBGPKG-OAHLLOKOSA-N 0 3 259.780 3.423 20 30 CGEDHN C#C[C@H](NCc1ccc(F)c2cccnc12)C(C)C ZINC000491352132 332195722 /nfs/dbraw/zinc/19/57/22/332195722.db2.gz XSJQPIMTQICIND-HNNXBMFYSA-N 0 3 256.324 3.121 20 30 CGEDHN C#C[C@H](NC[C@@H]1CCO[C@@H](CC)C1)c1ccc(F)cc1 ZINC000491750599 332327307 /nfs/dbraw/zinc/32/73/07/332327307.db2.gz VIWRKEJATBSPTD-COXVUDFISA-N 0 3 275.367 3.295 20 30 CGEDHN C=C(C)CNCc1cc(C)c(Br)s1 ZINC000308282620 333026889 /nfs/dbraw/zinc/02/68/89/333026889.db2.gz YMLMWBBJQPDLOM-UHFFFAOYSA-N 0 3 260.200 3.485 20 30 CGEDHN C=CCCCCCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000517172158 333093946 /nfs/dbraw/zinc/09/39/46/333093946.db2.gz DYXRGBIZLVKMJQ-HNNXBMFYSA-N 0 3 295.448 3.185 20 30 CGEDHN C=CCC[C@H](NCCOC[C@H]1CCCO1)c1ccco1 ZINC000520937403 333107799 /nfs/dbraw/zinc/10/77/99/333107799.db2.gz PXCGPHJWKDGBFD-CABCVRRESA-N 0 3 279.380 3.072 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(Br)s1 ZINC000229515255 333305658 /nfs/dbraw/zinc/30/56/58/333305658.db2.gz GHFJRBXCVNDISZ-MRVPVSSYSA-N 0 3 258.184 3.012 20 30 CGEDHN N#Cc1ccc(CNCCc2ccccc2Cl)o1 ZINC000174321928 335152465 /nfs/dbraw/zinc/15/24/65/335152465.db2.gz QAQGFDWQLJFWET-UHFFFAOYSA-N 0 3 260.724 3.137 20 30 CGEDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000174408326 335153999 /nfs/dbraw/zinc/15/39/99/335153999.db2.gz ALGFDJZPHQCKQW-IUODEOHRSA-N 0 3 276.380 3.082 20 30 CGEDHN C=CCOc1cccc(CNCCC(=O)OC(C)(C)C)c1 ZINC000174431427 335154597 /nfs/dbraw/zinc/15/45/97/335154597.db2.gz IWOOTRYMWVVJMK-UHFFFAOYSA-N 0 3 291.391 3.073 20 30 CGEDHN C[C@@H]1C[C@H]1c1ccc(CNCCOc2ccc(C#N)cc2)o1 ZINC000174561924 335158873 /nfs/dbraw/zinc/15/88/73/335158873.db2.gz SCTYCYNDFMGKAC-CXAGYDPISA-N 0 3 296.370 3.443 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C1(CC)CC ZINC000175037609 335171759 /nfs/dbraw/zinc/17/17/59/335171759.db2.gz FRDLSFFQCWPOJW-HUUCEWRRSA-N 0 3 276.380 3.225 20 30 CGEDHN C=C(C)CN1CCC(N[C@H](C)c2cn3ccccc3n2)CC1 ZINC000548056386 334137430 /nfs/dbraw/zinc/13/74/30/334137430.db2.gz GEASOUMDRXHIPC-OAHLLOKOSA-N 0 3 298.434 3.025 20 30 CGEDHN C=CCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000549063908 334184395 /nfs/dbraw/zinc/18/43/95/334184395.db2.gz QBVFFWBJAAATFB-UHFFFAOYSA-N 0 3 284.325 3.404 20 30 CGEDHN C=CCOCCN[C@H](c1ccc(F)cc1F)C(C)C ZINC000549536696 334196781 /nfs/dbraw/zinc/19/67/81/334196781.db2.gz VLPLQEFKUPCOMU-HNNXBMFYSA-N 0 3 269.335 3.454 20 30 CGEDHN C=CCOCCN(C)Cc1ccc(Br)cc1C ZINC000549613770 334199793 /nfs/dbraw/zinc/19/97/93/334199793.db2.gz OJGFQTCUXXSVNA-UHFFFAOYSA-N 0 3 298.224 3.392 20 30 CGEDHN C=CCOc1ccc(CN2CCCO[C@H](C(C)C)C2)cc1 ZINC000552159734 334297027 /nfs/dbraw/zinc/29/70/27/334297027.db2.gz DBJRIXZRLJUBEG-SFHVURJKSA-N 0 3 289.419 3.498 20 30 CGEDHN N#CCCC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000564990547 334532878 /nfs/dbraw/zinc/53/28/78/334532878.db2.gz KBFVHNLLBWCSPX-UHFFFAOYSA-N 0 3 282.387 3.478 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000577048263 335289684 /nfs/dbraw/zinc/28/96/84/335289684.db2.gz RQSXVFDWDWHXEW-BBRMVZONSA-N 0 3 297.402 3.207 20 30 CGEDHN CC(C)(C)OC(=O)CCCN1CCC(CCC#N)CC1 ZINC000577219210 335325033 /nfs/dbraw/zinc/32/50/33/335325033.db2.gz WFMQIHPGUCBRDA-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)cs1)N(C)c1ccccc1 ZINC000177685355 335378919 /nfs/dbraw/zinc/37/89/19/335378919.db2.gz FHODMXQSDPFWMY-ZDUSSCGKSA-N 0 3 285.416 3.234 20 30 CGEDHN CC[C@H](CC#N)NCCCOc1ccc(Cl)cc1 ZINC000578904591 335688046 /nfs/dbraw/zinc/68/80/46/335688046.db2.gz OYEFVTYVOHWGDT-CYBMUJFWSA-N 0 3 266.772 3.391 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000579055353 335704511 /nfs/dbraw/zinc/70/45/11/335704511.db2.gz POWPFIBJQIFQJR-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183340931 335889304 /nfs/dbraw/zinc/88/93/04/335889304.db2.gz KFYMOPWTYJHXLK-UHFFFAOYSA-N 0 3 260.337 3.301 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](OC)[C@H](C)CC)cc1 ZINC000381227758 336055562 /nfs/dbraw/zinc/05/55/62/336055562.db2.gz ABJOWTNJIJWIRA-RHSMWYFYSA-N 0 3 277.408 3.402 20 30 CGEDHN C[C@H](NCC1(O)CCCCCC1)c1ccc(C#N)cc1F ZINC000305801229 533835988 /nfs/dbraw/zinc/83/59/88/533835988.db2.gz DIBQOCVIAIJJAK-ZDUSSCGKSA-N 0 3 290.382 3.433 20 30 CGEDHN C[N@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000126986326 522782747 /nfs/dbraw/zinc/78/27/47/522782747.db2.gz ZCLWGZREFHKAPZ-UHFFFAOYSA-N 0 3 296.370 3.165 20 30 CGEDHN C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000126986326 522782757 /nfs/dbraw/zinc/78/27/57/522782757.db2.gz ZCLWGZREFHKAPZ-UHFFFAOYSA-N 0 3 296.370 3.165 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC1CCCC1 ZINC000069227754 524278483 /nfs/dbraw/zinc/27/84/83/524278483.db2.gz SIBLUJCSMQCIFU-ZDUSSCGKSA-N 0 3 285.391 3.007 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)CC2=CCCCC2)CC1 ZINC000106774818 526582166 /nfs/dbraw/zinc/58/21/66/526582166.db2.gz BPEVCJWSYFYJDM-UHFFFAOYSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C)CC1 ZINC000106314891 526596474 /nfs/dbraw/zinc/59/64/74/526596474.db2.gz QOTXSSSZXLMAOZ-UHFFFAOYSA-N 0 3 287.407 3.157 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278963506 526615659 /nfs/dbraw/zinc/61/56/59/526615659.db2.gz ZTBJGMONAAYVOG-ZDUSSCGKSA-N 0 3 268.282 3.333 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000337275954 526626382 /nfs/dbraw/zinc/62/63/82/526626382.db2.gz GEVBLSZLYGHSDM-UONOGXRCSA-N 0 3 280.318 3.198 20 30 CGEDHN C=CCOc1ccc(CN2CCC(C)(C)C2)cc1OC ZINC000353616324 526865421 /nfs/dbraw/zinc/86/54/21/526865421.db2.gz ZRGMHUQYCXKZGY-UHFFFAOYSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](CC)C2)cc1OC ZINC000355080187 526871844 /nfs/dbraw/zinc/87/18/44/526871844.db2.gz MDQMKFIHCLOXAR-AWEZNQCLSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CCOc1ccc(CNC[C@@](C)(O)CC)cc1Cl ZINC000111384320 526885610 /nfs/dbraw/zinc/88/56/10/526885610.db2.gz CSDFMOCXNCVWKL-HNNXBMFYSA-N 0 3 283.799 3.155 20 30 CGEDHN C=CCCCN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000344516006 527199075 /nfs/dbraw/zinc/19/90/75/527199075.db2.gz NEGXZKZIMSBWMX-INIZCTEOSA-N 0 3 258.409 3.159 20 30 CGEDHN C=CCCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000344603618 527199390 /nfs/dbraw/zinc/19/93/90/527199390.db2.gz QTQFOXNMWRXNNQ-UHFFFAOYSA-N 0 3 267.376 3.197 20 30 CGEDHN C=C[C@@H](CO)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000353581102 527444325 /nfs/dbraw/zinc/44/43/25/527444325.db2.gz YLDDTCLGFOPIJU-RDJZCZTQSA-N 0 3 259.393 3.324 20 30 CGEDHN C=CCC[C@@H](NCCOCC(F)(F)F)c1ccco1 ZINC000353405289 527447316 /nfs/dbraw/zinc/44/73/16/527447316.db2.gz RGRLHMQVSNIGED-LLVKDONJSA-N 0 3 277.286 3.455 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCC2 ZINC000359000569 528143481 /nfs/dbraw/zinc/14/34/81/528143481.db2.gz JGLIQVSFAVSGGL-GJZGRUSLSA-N 0 3 288.366 3.135 20 30 CGEDHN CCCCN(C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358567048 528346445 /nfs/dbraw/zinc/34/64/45/528346445.db2.gz IYTPPZCIEZDTCF-CYBMUJFWSA-N 0 3 277.387 3.080 20 30 CGEDHN CC(C)C[C@@H](NC(=O)C(C)C#N)c1cccs1 ZINC000347045088 528356045 /nfs/dbraw/zinc/35/60/45/528356045.db2.gz ZDBZKWTZFVHGJA-GHMZBOCLSA-N 0 3 250.367 3.111 20 30 CGEDHN CC1(C#N)CCC(NCc2ccc(Cl)cn2)CC1 ZINC000334751289 528832839 /nfs/dbraw/zinc/83/28/39/528832839.db2.gz IBDLOSGDUPJHKW-UHFFFAOYSA-N 0 3 263.772 3.297 20 30 CGEDHN CC1(C#N)CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000334723898 528841992 /nfs/dbraw/zinc/84/19/92/528841992.db2.gz ATSLKJVFCZKKPI-HOTGVXAUSA-N 0 3 254.377 3.416 20 30 CGEDHN CCN1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358570663 529003861 /nfs/dbraw/zinc/00/38/61/529003861.db2.gz NOBSFAZPBQDPIY-UKRRQHHQSA-N 0 3 289.398 3.222 20 30 CGEDHN CCN1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358570664 529015262 /nfs/dbraw/zinc/01/52/62/529015262.db2.gz NOBSFAZPBQDPIY-ZFWWWQNUSA-N 0 3 289.398 3.222 20 30 CGEDHN CC(C)[C@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)(C)O ZINC000357786760 529126472 /nfs/dbraw/zinc/12/64/72/529126472.db2.gz JVPBWKZQHWPOQJ-ABAIWWIYSA-N 0 3 278.371 3.143 20 30 CGEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000486767522 535658267 /nfs/dbraw/zinc/65/82/67/535658267.db2.gz AMXSKYQGJPDUHO-WMLDXEAASA-N 0 3 299.418 3.397 20 30 CGEDHN COc1ccc(CN2C[C@@H](C)CC[C@H]2C)cc1C#N ZINC000088704608 536861916 /nfs/dbraw/zinc/86/19/16/536861916.db2.gz JFLRDSNAXDAVPU-QWHCGFSZSA-N 0 3 258.365 3.187 20 30 CGEDHN Cc1cc(F)ccc1[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000746656187 571976261 /nfs/dbraw/zinc/97/62/61/571976261.db2.gz UPWYZVNRSCWQQW-SFHVURJKSA-N 0 3 298.361 3.171 20 30 CGEDHN C(=Nn1cnnc1-c1ccccc1)C1CCCCC1 ZINC000725856974 572448100 /nfs/dbraw/zinc/44/81/00/572448100.db2.gz SRMPSADPHZOAKC-UHFFFAOYSA-N 0 3 254.337 3.359 20 30 CGEDHN CCCCCCCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000740874625 572463585 /nfs/dbraw/zinc/46/35/85/572463585.db2.gz WIINCROMTNWESZ-MRXNPFEDSA-N 0 3 292.423 3.331 20 30 CGEDHN C=C(Cl)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741330924 572492897 /nfs/dbraw/zinc/49/28/97/572492897.db2.gz MZGZDCBNMRXQIQ-UHFFFAOYSA-N 0 3 293.794 3.194 20 30 CGEDHN Cc1ccc(NN=Cc2nccn2Cc2ccccc2)nc1 ZINC000734096138 572630058 /nfs/dbraw/zinc/63/00/58/572630058.db2.gz IDOPCOUZNLUGJL-UHFFFAOYSA-N 0 3 291.358 3.081 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(F)(F)F ZINC000744011036 572696344 /nfs/dbraw/zinc/69/63/44/572696344.db2.gz VFVSPPRSNIJHSX-VIFPVBQESA-N 0 3 295.264 3.092 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1cccc1 ZINC000735207460 572708162 /nfs/dbraw/zinc/70/81/62/572708162.db2.gz RJEMNPJZFYRQBU-CHWSQXEVSA-N 0 3 293.326 3.457 20 30 CGEDHN CCN(C/C=C(/C)C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000746503489 572875667 /nfs/dbraw/zinc/87/56/67/572875667.db2.gz SHMYMHBGIJNIST-QLKUMGTLSA-N 0 3 286.375 3.060 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000969564514 613242027 /nfs/dbraw/zinc/24/20/27/613242027.db2.gz TXGOAXFOIBPINJ-CQSZACIVSA-N 0 3 292.448 3.041 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC000970957285 613301770 /nfs/dbraw/zinc/30/17/70/613301770.db2.gz IOPODDPHQDEMDD-HLIUYOAVSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965475870 613323503 /nfs/dbraw/zinc/32/35/03/613323503.db2.gz KNKRTIIYGPNHSK-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C=C1CCC1 ZINC000960260498 613350448 /nfs/dbraw/zinc/35/04/48/613350448.db2.gz HXIUPHXHXDBCDW-IEBWSBKVSA-N 0 3 296.414 3.045 20 30 CGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CCCC1 ZINC000960238867 613350472 /nfs/dbraw/zinc/35/04/72/613350472.db2.gz JOXMSPXKIYVLBR-QZTJIDSGSA-N 0 3 298.430 3.125 20 30 CGEDHN C=C1CCC(C(=O)N2CCCN(CC[C@H](C)F)CC2)CC1 ZINC000981886172 613404936 /nfs/dbraw/zinc/40/49/36/613404936.db2.gz YUQLXKVHIPGVDS-HNNXBMFYSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccoc2CCC)C[C@@H]1C ZINC000947925575 613756660 /nfs/dbraw/zinc/75/66/60/613756660.db2.gz QIQFTLDCMYDTFW-UONOGXRCSA-N 0 3 290.407 3.001 20 30 CGEDHN C=CC[C@H]1CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000890550413 617635660 /nfs/dbraw/zinc/63/56/60/617635660.db2.gz WVQFBODQPJGWEK-HNNXBMFYSA-N 0 3 283.375 3.081 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001021112249 617899240 /nfs/dbraw/zinc/89/92/40/617899240.db2.gz ZDPVOAJDPWREOA-QJMLVPPDSA-N 0 3 298.858 3.192 20 30 CGEDHN C(=NN[C@H]1CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000808000912 618051364 /nfs/dbraw/zinc/05/13/64/618051364.db2.gz WFMWWRALQAAVIH-HNNXBMFYSA-N 0 3 289.448 3.106 20 30 CGEDHN CCC#C[C@@H](C)N1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000933074199 618138195 /nfs/dbraw/zinc/13/81/95/618138195.db2.gz YJQIKKUUPPVTKI-NVXWUHKLSA-N 0 3 299.414 3.139 20 30 CGEDHN Cc1cc(C#N)nc(NC[C@@H](c2cccs2)N(C)C)c1 ZINC000891488846 618231196 /nfs/dbraw/zinc/23/11/96/618231196.db2.gz CJBDLNSEHBCMDM-ZDUSSCGKSA-N 0 3 286.404 3.038 20 30 CGEDHN C=C(Br)CN[C@H]1C[C@@H](OC)C1(CC)CC ZINC000132744672 618392459 /nfs/dbraw/zinc/39/24/59/618392459.db2.gz PSMQYVIZWSEALS-WDEREUQCSA-N 0 3 276.218 3.078 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000934469493 618626967 /nfs/dbraw/zinc/62/69/67/618626967.db2.gz DIZAPRODYNFKPA-GOSISDBHSA-N 0 3 298.430 3.463 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926546940 618733284 /nfs/dbraw/zinc/73/32/84/618733284.db2.gz ZTZSWFFJOPTINL-SMDDNHRTSA-N 0 3 280.799 3.029 20 30 CGEDHN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)c1nc2ccccc2[nH]1 ZINC000892420864 618767995 /nfs/dbraw/zinc/76/79/95/618767995.db2.gz ZBERGRQDRGYDLA-AVGNSLFASA-N 0 3 279.343 3.175 20 30 CGEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000892496100 618811951 /nfs/dbraw/zinc/81/19/51/618811951.db2.gz VYNPZDFIJOSFNJ-AWEZNQCLSA-N 0 3 284.359 3.245 20 30 CGEDHN CSc1ccc(CN[C@H](C)c2cc[nH]c(=O)c2)cc1C#N ZINC000926867928 618957430 /nfs/dbraw/zinc/95/74/30/618957430.db2.gz FXIGTZJLCYVARV-LLVKDONJSA-N 0 3 299.399 3.232 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC001020325832 618979894 /nfs/dbraw/zinc/97/98/94/618979894.db2.gz HXTPVUFVVNRPGZ-AJNGGQMLSA-N 0 3 298.858 3.192 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cc(N)ccn1 ZINC000925767477 619228439 /nfs/dbraw/zinc/22/84/39/619228439.db2.gz PPBNZAPJQMVQLP-SFHVURJKSA-N 0 3 292.386 3.093 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(C(=O)OC)s1 ZINC000895225743 619786819 /nfs/dbraw/zinc/78/68/19/619786819.db2.gz RNVMNRKETBOXCG-RYUDHWBXSA-N 0 3 294.420 3.154 20 30 CGEDHN Fc1ccc2c(c1)C[C@@H]1[C@@H](NCC#Cc3ccccc3)[C@H]21 ZINC000895458463 619832988 /nfs/dbraw/zinc/83/29/88/619832988.db2.gz DWUIOJPKMONIRW-IPMKNSEASA-N 0 3 277.342 3.105 20 30 CGEDHN C#CCC1(O)CCN(Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000895670463 619869420 /nfs/dbraw/zinc/86/94/20/619869420.db2.gz RAMGCZHQPVRNFN-UHFFFAOYSA-N 0 3 297.398 3.400 20 30 CGEDHN CC1=C[C@@H](C)C[C@H](CNCc2nc(C#N)cs2)C1 ZINC000897628148 620414002 /nfs/dbraw/zinc/41/40/02/620414002.db2.gz DEVAVEZVAAPPFG-PWSUYJOCSA-N 0 3 261.394 3.097 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCC=CCCC2)nn1 ZINC000898032573 620469926 /nfs/dbraw/zinc/46/99/26/620469926.db2.gz UOIXMGJQEZOILG-OAHLLOKOSA-N 0 3 274.412 3.080 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000989772743 620524099 /nfs/dbraw/zinc/52/40/99/620524099.db2.gz ISOFYEJCBAOCIY-DLBZAZTESA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903012152 621534506 /nfs/dbraw/zinc/53/45/06/621534506.db2.gz NVIWRVJWKOWNLX-JQWIXIFHSA-N 0 3 288.313 3.078 20 30 CGEDHN C[C@H](NCC(C)(C)C(C)(F)F)c1cc(C#N)ccn1 ZINC000903080740 621562192 /nfs/dbraw/zinc/56/21/92/621562192.db2.gz LIXKHDSUYSLGMQ-JTQLQIEISA-N 0 3 267.323 3.285 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCC(C)(C)C#N)C1(C)C ZINC000903101517 621574875 /nfs/dbraw/zinc/57/48/75/621574875.db2.gz HXMDDBHLRMVPRQ-NEPJUHHUSA-N 0 3 252.402 3.108 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nc(CN(C)C)cs2)C1 ZINC000903220949 621634406 /nfs/dbraw/zinc/63/44/06/621634406.db2.gz RSVDSYYUFDVRKE-CHWSQXEVSA-N 0 3 279.453 3.039 20 30 CGEDHN Cc1cc(C)c(/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000905079626 622032535 /nfs/dbraw/zinc/03/25/35/622032535.db2.gz CRJBRDBIODPENI-FUEWVNAISA-N 0 3 267.332 3.044 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](N)C[C@H](C)CC ZINC000912080882 622598315 /nfs/dbraw/zinc/59/83/15/622598315.db2.gz BDVXPIDNOKIYIN-OCCSQVGLSA-N 0 3 280.437 3.026 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000912116212 622602422 /nfs/dbraw/zinc/60/24/22/622602422.db2.gz SUMNMVJGUBHBAQ-HOTGVXAUSA-N 0 3 274.408 3.184 20 30 CGEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000173953031 623350240 /nfs/dbraw/zinc/35/02/40/623350240.db2.gz WPFPTVVBVBEOEG-ZWNOBZJWSA-N 0 3 292.766 3.424 20 30 CGEDHN C#CCCCNCc1csc(-c2cccs2)n1 ZINC000174610394 623412582 /nfs/dbraw/zinc/41/25/82/623412582.db2.gz GPGSSRRIQDUUML-UHFFFAOYSA-N 0 3 262.403 3.375 20 30 CGEDHN CC(C)(C)OC(=O)[C@H]1CCCN1CC1CCC(C#N)CC1 ZINC000929790083 623647191 /nfs/dbraw/zinc/64/71/91/623647191.db2.gz HVGPIDJPYGNBSW-YMAMQOFZSA-N 0 3 292.423 3.122 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992988091 623773225 /nfs/dbraw/zinc/77/32/25/623773225.db2.gz UYEKKKKLYBKKIR-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993748080 624060066 /nfs/dbraw/zinc/06/00/66/624060066.db2.gz SXXBJHVPQNPAKD-GOEBONIOSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993740478 624060902 /nfs/dbraw/zinc/06/09/02/624060902.db2.gz ITHFNSOYYYUBQO-RDJZCZTQSA-N 0 3 290.451 3.278 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)c1 ZINC000916897680 624220941 /nfs/dbraw/zinc/22/09/41/624220941.db2.gz PCPIGOGMBRFLSC-LBPRGKRZSA-N 0 3 294.301 3.078 20 30 CGEDHN C[C@H](NN=Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000920385968 624487939 /nfs/dbraw/zinc/48/79/39/624487939.db2.gz MEQGUSWAABQDPG-AWEZNQCLSA-N 0 3 267.376 3.437 20 30 CGEDHN C#CCN1CCC(C(=O)NCCCCCCCCC)CC1 ZINC000919965436 624435920 /nfs/dbraw/zinc/43/59/20/624435920.db2.gz BFZUUULZNMWRSR-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(F)c2)cc1 ZINC000237702621 624674671 /nfs/dbraw/zinc/67/46/71/624674671.db2.gz HODNFQQRKBTKPS-ZDUSSCGKSA-N 0 3 284.334 3.406 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCCC(F)(F)F)c1 ZINC000877062671 634967549 /nfs/dbraw/zinc/96/75/49/634967549.db2.gz BLFHTRAHNNIDOH-UHFFFAOYSA-N 0 3 277.677 3.039 20 30 CGEDHN C=C(C)CN(C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000181300526 624842376 /nfs/dbraw/zinc/84/23/76/624842376.db2.gz FNAQKGIWRDWBEN-UHFFFAOYSA-N 0 3 271.360 3.418 20 30 CGEDHN C=C(Br)CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000186311958 625784582 /nfs/dbraw/zinc/78/45/82/625784582.db2.gz RQEFBTLLCNXPJH-VXGBXAGGSA-N 0 3 276.218 3.078 20 30 CGEDHN C[C@@H](C[C@@H](O)c1cccs1)NCc1csc(C#N)c1 ZINC000921950929 625942701 /nfs/dbraw/zinc/94/27/01/625942701.db2.gz UHTLMQIXMQLZTR-GXFFZTMASA-N 0 3 292.429 3.283 20 30 CGEDHN N#CCCCNCc1cccc(Oc2ccccn2)c1 ZINC000921983518 625950622 /nfs/dbraw/zinc/95/06/22/625950622.db2.gz AIYOEWIOZCTIBY-UHFFFAOYSA-N 0 3 267.332 3.267 20 30 CGEDHN C[C@@H]1CCN(Cc2cncc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000929259533 625955219 /nfs/dbraw/zinc/95/52/19/625955219.db2.gz GAAMXJDOVGLWTO-XOKHGSTOSA-N 0 3 269.392 3.354 20 30 CGEDHN N#Cc1cc(CN[C@H]2CCCO[C@@H]2c2ccncc2)cs1 ZINC000922023819 625962810 /nfs/dbraw/zinc/96/28/10/625962810.db2.gz MOLAETMEEGVOKB-JKSUJKDBSA-N 0 3 299.399 3.025 20 30 CGEDHN CCC1(NCc2cc(C#N)ccc2Br)CC1 ZINC000922152507 625973632 /nfs/dbraw/zinc/97/36/32/625973632.db2.gz GBNKRRQCGSNYRZ-UHFFFAOYSA-N 0 3 279.181 3.353 20 30 CGEDHN N#Cc1ccc(Br)c(CN[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000922260507 625990794 /nfs/dbraw/zinc/99/07/94/625990794.db2.gz XUXITGBNLUOPDL-DABQJJPHSA-N 0 3 291.192 3.209 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(Cl)o2)CC1 ZINC001005112722 626088173 /nfs/dbraw/zinc/08/81/73/626088173.db2.gz FHGPUZGKQMJWDD-UHFFFAOYSA-N 0 3 296.798 3.046 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2oc(C)cc2C)CC1 ZINC001005219150 626088636 /nfs/dbraw/zinc/08/86/36/626088636.db2.gz TXPDGNYIFDKTCF-UHFFFAOYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC001005584288 626093102 /nfs/dbraw/zinc/09/31/02/626093102.db2.gz RYHQZKZLJKPDAQ-CRAIPNDOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nc3c(s2)COCC3)C1 ZINC000922960202 626107443 /nfs/dbraw/zinc/10/74/43/626107443.db2.gz KSFOYSGRDPOQJH-NWDGAFQWSA-N 0 3 278.421 3.050 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)CC2CCCCCC2)CC1 ZINC001006060127 626148620 /nfs/dbraw/zinc/14/86/20/626148620.db2.gz AHTHGUUKPKGRFU-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1cnn(-c2ccccc2)c1 ZINC000840785520 626175191 /nfs/dbraw/zinc/17/51/91/626175191.db2.gz HVPYXBVDECVVQO-CQSZACIVSA-N 0 3 282.391 3.463 20 30 CGEDHN C#CCC[C@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000839041039 626308062 /nfs/dbraw/zinc/30/80/62/626308062.db2.gz SUQCBAAANBSBTR-INIZCTEOSA-N 0 3 299.414 3.244 20 30 CGEDHN C#CCOCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000753761863 626464827 /nfs/dbraw/zinc/46/48/27/626464827.db2.gz QWYGKYDLLAXPEF-IBGZPJMESA-N 0 3 295.382 3.024 20 30 CGEDHN C#CCOCCN[C@H](C)c1oc2ccccc2c1C ZINC000753767750 626465413 /nfs/dbraw/zinc/46/54/13/626465413.db2.gz MBUOGFVZCSJPHR-CYBMUJFWSA-N 0 3 257.333 3.042 20 30 CGEDHN C#CCN(CC[C@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000754018091 626472274 /nfs/dbraw/zinc/47/22/74/626472274.db2.gz FXKYXZJICFGINL-QGZVFWFLSA-N 0 3 275.367 3.220 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(C)s1 ZINC000754673768 626581422 /nfs/dbraw/zinc/58/14/22/626581422.db2.gz YVOCIRBITKGOCR-KGLIPLIRSA-N 0 3 292.448 3.296 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1nc2ccccc2s1 ZINC000754710321 626583378 /nfs/dbraw/zinc/58/33/78/626583378.db2.gz IMHSUVXJASXOTH-NWDGAFQWSA-N 0 3 276.405 3.274 20 30 CGEDHN CCCCCCCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000755074944 626599549 /nfs/dbraw/zinc/59/95/49/626599549.db2.gz IASXMTJNEJERKZ-INIZCTEOSA-N 0 3 295.471 3.225 20 30 CGEDHN C=C(Br)CN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000755121935 626601315 /nfs/dbraw/zinc/60/13/15/626601315.db2.gz XZHRJOAXLVLNKZ-GYSYKLTISA-N 0 3 296.208 3.438 20 30 CGEDHN C#CCCN(C)Cc1ccc(Br)c(F)c1 ZINC000755195717 626606407 /nfs/dbraw/zinc/60/64/07/626606407.db2.gz QEXNKFIAZYVJJU-UHFFFAOYSA-N 0 3 270.145 3.043 20 30 CGEDHN Cn1cncc1CN=Nc1cc(C(F)(F)F)ccc1F ZINC000755813275 626649512 /nfs/dbraw/zinc/64/95/12/626649512.db2.gz CKNQMGMTPHLYCO-UHFFFAOYSA-N 0 3 286.232 3.024 20 30 CGEDHN CC1(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000759440233 626898465 /nfs/dbraw/zinc/89/84/65/626898465.db2.gz HTNSEFOBVAGNSY-SNVBAGLBSA-N 0 3 254.289 3.194 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759868279 626928581 /nfs/dbraw/zinc/92/85/81/626928581.db2.gz UOKTTWZHAYKFPB-CYBMUJFWSA-N 0 3 257.736 3.020 20 30 CGEDHN C#CCCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000760239744 626946823 /nfs/dbraw/zinc/94/68/23/626946823.db2.gz LBONPVRSTBARGP-GOSISDBHSA-N 0 3 298.430 3.133 20 30 CGEDHN C#CCOCCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000761109158 627017416 /nfs/dbraw/zinc/01/74/16/627017416.db2.gz NWAARYXYIUAFER-UHFFFAOYSA-N 0 3 272.175 3.075 20 30 CGEDHN FC(F)(F)c1ccc(CON=C2CCN3CCC[C@H]23)cc1 ZINC000765584512 627261008 /nfs/dbraw/zinc/26/10/08/627261008.db2.gz PADORZSQNHFUMT-CQSZACIVSA-N 0 3 298.308 3.446 20 30 CGEDHN C#CCCCN(CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000766916741 627370205 /nfs/dbraw/zinc/37/02/05/627370205.db2.gz DEABFUCRVNZUOZ-UHFFFAOYSA-N 0 3 292.810 3.404 20 30 CGEDHN CCN(CCc1ccccn1)Cc1cc(C#N)cs1 ZINC000769039338 627519683 /nfs/dbraw/zinc/51/96/83/627519683.db2.gz VISCLBGUPNWHID-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN C#CCOc1ccccc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000769141806 627525130 /nfs/dbraw/zinc/52/51/30/627525130.db2.gz MCSRSYHQPDHHJD-ZIAGYGMSSA-N 0 3 275.417 3.024 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000769142435 627525173 /nfs/dbraw/zinc/52/51/73/627525173.db2.gz XOOZTLRHJIKBLW-MGPQQGTHSA-N 0 3 290.432 3.303 20 30 CGEDHN C#CCN(Cc1cnc2ccc(C)cn12)C1CCCCC1 ZINC000769145101 627525223 /nfs/dbraw/zinc/52/52/23/627525223.db2.gz BJNQWGWRTKASJT-UHFFFAOYSA-N 0 3 281.403 3.411 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN(C)CCOC(C)(C)C)cc1 ZINC000769514044 627561941 /nfs/dbraw/zinc/56/19/41/627561941.db2.gz FGHXRFJCDOMJAS-CQSZACIVSA-N 0 3 290.407 3.224 20 30 CGEDHN Cc1cccc(F)c1N=NCc1cccc2nccn21 ZINC000769828943 627582574 /nfs/dbraw/zinc/58/25/74/627582574.db2.gz YTZUEGKIAOMFQB-UHFFFAOYSA-N 0 3 268.295 3.228 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000769977593 627594475 /nfs/dbraw/zinc/59/44/75/627594475.db2.gz MFYFRVOGZWVYAY-CYBMUJFWSA-N 0 3 288.391 3.487 20 30 CGEDHN C=C(C)[C@H](Nc1cc(C)nc(N)n1)c1ccc(F)c(F)c1 ZINC000772186469 627772133 /nfs/dbraw/zinc/77/21/33/627772133.db2.gz NAIUSYYCBMRMCX-AWEZNQCLSA-N 0 3 290.317 3.375 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000773105999 627856929 /nfs/dbraw/zinc/85/69/29/627856929.db2.gz JFWAZWDFCYEACN-HNNXBMFYSA-N 0 3 299.418 3.424 20 30 CGEDHN CCc1cnccc1[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC000773430573 627883329 /nfs/dbraw/zinc/88/33/29/627883329.db2.gz ZYCCJVKNJPCUJG-ZDUSSCGKSA-N 0 3 295.386 3.375 20 30 CGEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000773977205 627934100 /nfs/dbraw/zinc/93/41/00/627934100.db2.gz UTNIFORSEFJGBY-OCCSQVGLSA-N 0 3 286.375 3.406 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CCCCC1 ZINC000874826435 634627506 /nfs/dbraw/zinc/62/75/06/634627506.db2.gz OBSCJMGYFGNARJ-CVEARBPZSA-N 0 3 290.451 3.208 20 30 CGEDHN CCc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000775395104 628090261 /nfs/dbraw/zinc/09/02/61/628090261.db2.gz NLFKNFPQHYTOIW-QGZVFWFLSA-N 0 3 280.375 3.011 20 30 CGEDHN C=CCC[C@@H](NC/C=C(/C)C(=O)OC)c1ccccc1 ZINC000775463669 628097575 /nfs/dbraw/zinc/09/75/75/628097575.db2.gz MUAQNNJFRXBDTA-OBEJXRGXSA-N 0 3 273.376 3.403 20 30 CGEDHN N#CCC[C@H](NC[C@H](O)c1cccc(F)c1)c1ccccc1 ZINC000775554199 628106464 /nfs/dbraw/zinc/10/64/64/628106464.db2.gz VMTBFYJOTBCLNL-ROUUACIJSA-N 0 3 298.361 3.494 20 30 CGEDHN C#C[C@H](NC1CC(c2ccc(Cl)cc2)C1)[C@@H]1CCCO1 ZINC000775571122 628107863 /nfs/dbraw/zinc/10/78/63/628107863.db2.gz ANKYWCOBAXBXSB-KMZOKZLKSA-N 0 3 289.806 3.356 20 30 CGEDHN C#C[C@H](N[C@H](C)c1ccc(C)cc1C)[C@H]1CCCO1 ZINC000775572462 628108669 /nfs/dbraw/zinc/10/86/69/628108669.db2.gz AVANQIXXGFSRED-HYVNUMGLSA-N 0 3 257.377 3.135 20 30 CGEDHN C#C[C@H](NCCSc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775791631 628137321 /nfs/dbraw/zinc/13/73/21/628137321.db2.gz NDAGACOKFRPDKB-LSDHHAIUSA-N 0 3 295.835 3.203 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@@H](CCO)c1cccs1 ZINC000776798858 628233200 /nfs/dbraw/zinc/23/32/00/628233200.db2.gz JWORSPSCBZUTHI-HNNXBMFYSA-N 0 3 286.400 3.142 20 30 CGEDHN C=C(C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779058906 628385432 /nfs/dbraw/zinc/38/54/32/628385432.db2.gz RGJNMFDSZPWWAV-UHFFFAOYSA-N 0 3 257.308 3.334 20 30 CGEDHN C#CCN(CCC(C)(C)OC)Cc1ccc(F)cc1 ZINC000787198636 629001759 /nfs/dbraw/zinc/00/17/59/629001759.db2.gz LWNHZXDISFUUMM-UHFFFAOYSA-N 0 3 263.356 3.076 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cc[nH]c(=O)c1 ZINC000788818308 629084455 /nfs/dbraw/zinc/08/44/55/629084455.db2.gz PKLPTSSHMKELPQ-JTQLQIEISA-N 0 3 287.750 3.163 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CCCO1)c1nccc2ccccc21 ZINC000792100160 629337629 /nfs/dbraw/zinc/33/76/29/629337629.db2.gz KMLLIRAHIXGUQG-HOCLYGCPSA-N 0 3 294.354 3.370 20 30 CGEDHN CN(C)c1ccc(CN(C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000792202093 629349003 /nfs/dbraw/zinc/34/90/03/629349003.db2.gz FAFMQHKSPUGGHA-UHFFFAOYSA-N 0 3 297.377 3.395 20 30 CGEDHN C#CCN(C)[C@@H](CC)c1ccc(Br)cc1 ZINC000792302139 629354958 /nfs/dbraw/zinc/35/49/58/629354958.db2.gz NNADDPSBYLKNRQ-ZDUSSCGKSA-N 0 3 266.182 3.465 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccccc2Br)C1 ZINC000862442943 629375497 /nfs/dbraw/zinc/37/54/97/629375497.db2.gz ITZQSUDCJCNKHX-GFCCVEGCSA-N 0 3 278.193 3.294 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(OC)cc2Cl)C1 ZINC000862443457 629376593 /nfs/dbraw/zinc/37/65/93/629376593.db2.gz PCSAVXGSSJNZJR-LBPRGKRZSA-N 0 3 263.768 3.194 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(OC)cc2OC(F)F)C1 ZINC000862444464 629377782 /nfs/dbraw/zinc/37/77/82/629377782.db2.gz AQTSOGOUBLNMCF-LBPRGKRZSA-N 0 3 295.329 3.142 20 30 CGEDHN CCSCC(=NNc1ccnc(C)c1)c1ccccc1 ZINC000863159392 629486051 /nfs/dbraw/zinc/48/60/51/629486051.db2.gz OYHMBKPJBJSSHF-UHFFFAOYSA-N 0 3 285.416 3.381 20 30 CGEDHN Cc1cccc(-c2ccc([C@@H]3CNCCO3)cc2)c1C#N ZINC000863689731 629647195 /nfs/dbraw/zinc/64/71/95/629647195.db2.gz FMLDBPDWPYHHGC-SFHVURJKSA-N 0 3 278.355 3.195 20 30 CGEDHN CC[C@H]1Cc2c(cccc2-c2ccc([O-])cc2C#N)C[NH2+]1 ZINC000863723284 629660783 /nfs/dbraw/zinc/66/07/83/629660783.db2.gz WDGGLLOUIXLGPM-AWEZNQCLSA-N 0 3 278.355 3.355 20 30 CGEDHN C[C@H](C#N)OCCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000801932352 630369322 /nfs/dbraw/zinc/36/93/22/630369322.db2.gz LAVVPAZFWHQYLF-LLVKDONJSA-N 0 3 298.308 3.213 20 30 CGEDHN Cc1c2ccccc2oc1[C@H](C)NCCO[C@H](C)C#N ZINC000801941109 630372143 /nfs/dbraw/zinc/37/21/43/630372143.db2.gz ILMWDOWOZIZGAH-YPMHNXCESA-N 0 3 272.348 3.321 20 30 CGEDHN C/C(C=Nn1cnnc1)=C\c1cccc(C(F)(F)F)c1 ZINC000807941515 630607975 /nfs/dbraw/zinc/60/79/75/630607975.db2.gz ZKLBPLPVMDXSRJ-WMHKUWHSSA-N 0 3 280.253 3.234 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(OCC(=C)C)c1)C(C)C ZINC000809684878 630781023 /nfs/dbraw/zinc/78/10/23/630781023.db2.gz QXVFGUJWUBIUKY-MRXNPFEDSA-N 0 3 287.403 3.398 20 30 CGEDHN C#C[C@@H](NCc1ccccc1OCC1CC1)C(C)C ZINC000809685188 630781101 /nfs/dbraw/zinc/78/11/01/630781101.db2.gz FDOMORFYSQEDJD-MRXNPFEDSA-N 0 3 257.377 3.223 20 30 CGEDHN CC[C@H](Cc1ccc(C)cc1)NCc1nc(C#N)cs1 ZINC000810145753 630845958 /nfs/dbraw/zinc/84/59/58/630845958.db2.gz IBXSWKVSGBPENP-CQSZACIVSA-N 0 3 285.416 3.434 20 30 CGEDHN C(NN=C1CCCC[C@H]1N1CCCCC1)[C@@H]1CCSC1 ZINC000811659944 631102260 /nfs/dbraw/zinc/10/22/60/631102260.db2.gz CHNMEDQKJGRWAM-GOEBONIOSA-N 0 3 295.496 3.114 20 30 CGEDHN C=CCCCCCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000811892494 631130841 /nfs/dbraw/zinc/13/08/41/631130841.db2.gz UUTGYUJMRWZUPI-HNNXBMFYSA-N 0 3 293.455 3.049 20 30 CGEDHN C#C[C@H](N[C@H](C)CC1CCOCC1)c1ccc(F)cc1 ZINC000812793428 631311557 /nfs/dbraw/zinc/31/15/57/631311557.db2.gz TVLWTYNSCZJZEF-DYVFJYSZSA-N 0 3 275.367 3.295 20 30 CGEDHN C#CCCCNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000812836164 631322936 /nfs/dbraw/zinc/32/29/36/631322936.db2.gz QXXBTJAJAWSAPC-UHFFFAOYSA-N 0 3 297.757 3.028 20 30 CGEDHN c1cc2c3c(c1)C(=NNCC1CCCC1)CC[C@H]3CN2 ZINC000814933228 631688170 /nfs/dbraw/zinc/68/81/70/631688170.db2.gz IIQODHDDUFFFJY-ZDUSSCGKSA-N 0 3 269.392 3.473 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)(F)F ZINC000816045780 631866403 /nfs/dbraw/zinc/86/64/03/631866403.db2.gz XBWOCMWHFUSZEJ-VHSXEESVSA-N 0 3 289.285 3.097 20 30 CGEDHN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]1C ZINC000816649247 632038161 /nfs/dbraw/zinc/03/81/61/632038161.db2.gz WHCSEAZSBDMZSC-HUUCEWRRSA-N 0 3 294.402 3.304 20 30 CGEDHN Cc1cc(N(C)C)ccc1C=NN[C@@H](C)c1ccncc1 ZINC000819819123 632526854 /nfs/dbraw/zinc/52/68/54/632526854.db2.gz SAGZWTOPJDAWLM-AWEZNQCLSA-N 0 3 282.391 3.141 20 30 CGEDHN C=CCSCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000105462452 635833837 /nfs/dbraw/zinc/83/38/37/635833837.db2.gz UZAMGKSBDONZHT-AAEUAGOBSA-N 0 3 251.395 3.412 20 30 CGEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000866539414 633182191 /nfs/dbraw/zinc/18/21/91/633182191.db2.gz BWLUASHYERTICX-TZMCWYRMSA-N 0 3 273.336 3.075 20 30 CGEDHN COc1ccccc1[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000866595793 633205893 /nfs/dbraw/zinc/20/58/93/633205893.db2.gz NHEPNKSHXNHUPJ-HZSPNIEDSA-N 0 3 258.365 3.428 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000876587467 634862294 /nfs/dbraw/zinc/86/22/94/634862294.db2.gz SFIRXOJZYWZATC-AVGNSLFASA-N 0 3 286.847 3.177 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCC)cc1C ZINC000876607300 634866427 /nfs/dbraw/zinc/86/64/27/634866427.db2.gz SASGRESNKHPXHW-ZDUSSCGKSA-N 0 3 296.798 3.192 20 30 CGEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000829775172 633781034 /nfs/dbraw/zinc/78/10/34/633781034.db2.gz YUBMUEIVOAAOKA-SJORKVTESA-N 0 3 298.430 3.366 20 30 CGEDHN C#CC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000830305833 633848180 /nfs/dbraw/zinc/84/81/80/633848180.db2.gz WGDRDEPXBPLDOX-GFCCVEGCSA-N 0 3 258.321 3.001 20 30 CGEDHN C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc([O-])c1F ZINC000872094191 634019349 /nfs/dbraw/zinc/01/93/49/634019349.db2.gz ZRGXNSVBIKRRGB-NHYWBVRUSA-N 0 3 296.345 3.221 20 30 CGEDHN CC1(C#N)CCC(NCc2ncc(Cl)s2)CC1 ZINC000872113537 634037698 /nfs/dbraw/zinc/03/76/98/634037698.db2.gz PXEXDWGRKOOYHF-UHFFFAOYSA-N 0 3 269.801 3.359 20 30 CGEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000872129491 634049627 /nfs/dbraw/zinc/04/96/27/634049627.db2.gz CIRTUQOTTOPFAL-JHJVBQTASA-N 0 3 273.336 3.328 20 30 CGEDHN C#C[C@H]1CC[C@H](N[C@@H]2CCCc3scnc32)CC1 ZINC000872139252 634062646 /nfs/dbraw/zinc/06/26/46/634062646.db2.gz ISTGFNODYLJBMQ-JHJVBQTASA-N 0 3 260.406 3.302 20 30 CGEDHN C#CCCCCN[C@H](C)c1nc(Br)cs1 ZINC000834680648 634217848 /nfs/dbraw/zinc/21/78/48/634217848.db2.gz DVRKUYFZQKWUEU-SECBINFHSA-N 0 3 287.226 3.360 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000834888464 634269006 /nfs/dbraw/zinc/26/90/06/634269006.db2.gz NERBEOVTVZPLML-VHSSKADRSA-N 0 3 297.402 3.175 20 30 CGEDHN CCC(=NN[C@@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000835017968 634319577 /nfs/dbraw/zinc/31/95/77/634319577.db2.gz SFTRYIXDLFKROX-MRXNPFEDSA-N 0 3 289.423 3.024 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000876630037 634871226 /nfs/dbraw/zinc/87/12/26/634871226.db2.gz YLRVMLIIRYZSIN-LSDHHAIUSA-N 0 3 298.858 3.418 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)Cc1ccccc1F ZINC000876971371 634941328 /nfs/dbraw/zinc/94/13/28/634941328.db2.gz OSQFVLCWIBANQT-CQSZACIVSA-N 0 3 298.789 3.034 20 30 CGEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000877088879 634981237 /nfs/dbraw/zinc/98/12/37/634981237.db2.gz INBXOOFTPFJVED-NSHDSACASA-N 0 3 285.725 3.274 20 30 CGEDHN C#C[C@H](NCCC[C@@H]1CCO1)c1ccc(Cl)cc1 ZINC000877542417 635081028 /nfs/dbraw/zinc/08/10/28/635081028.db2.gz YNMLMRGMMLEAFL-CABCVRRESA-N 0 3 263.768 3.173 20 30 CGEDHN N#CC1CCC(NCc2cc(F)cnc2Cl)CC1 ZINC000877556252 635088638 /nfs/dbraw/zinc/08/86/38/635088638.db2.gz NTANQQRRPCPEDF-UHFFFAOYSA-N 0 3 267.735 3.046 20 30 CGEDHN CSCC1(CCNCc2cc(C#N)cnc2Cl)CC1 ZINC000877625119 635119355 /nfs/dbraw/zinc/11/93/55/635119355.db2.gz VWZBRTBCNYAVKN-UHFFFAOYSA-N 0 3 295.839 3.230 20 30 CGEDHN CC(C)CC1(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877638440 635126327 /nfs/dbraw/zinc/12/63/27/635126327.db2.gz GWKLSLMXPRNXQB-UHFFFAOYSA-N 0 3 263.772 3.275 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672309 635141333 /nfs/dbraw/zinc/14/13/33/635141333.db2.gz BGRYQTMNVMNNLR-VQTJNVASSA-N 0 3 291.394 3.366 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1C2CCC1CC2)c1ccccc1 ZINC000877951166 635284894 /nfs/dbraw/zinc/28/48/94/635284894.db2.gz JHBRSZHWQRKVJT-DAWZGUTISA-N 0 3 282.387 3.054 20 30 CGEDHN CCN(C[C@H](O)c1ccc(C)cc1)CC1(CC#N)CC1 ZINC000878148309 635379631 /nfs/dbraw/zinc/37/96/31/635379631.db2.gz GFFIEJVZQNJSFA-INIZCTEOSA-N 0 3 272.392 3.044 20 30 CGEDHN CN(C[C@H]1CC(C)(C)OC1(C)C)CC(C)(C)C#N ZINC000878650688 635590029 /nfs/dbraw/zinc/59/00/29/635590029.db2.gz OYDSHEJQLGXQLK-GFCCVEGCSA-N 0 3 252.402 3.062 20 30 CGEDHN C#CCCCCCN1CCc2nc(C(C)C)ncc2C1 ZINC000879032462 635686053 /nfs/dbraw/zinc/68/60/53/635686053.db2.gz XJZDUENOVSWCOL-UHFFFAOYSA-N 0 3 271.408 3.152 20 30 CGEDHN CN(CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879308875 635750944 /nfs/dbraw/zinc/75/09/44/635750944.db2.gz JKIKAVRHAYAKFP-GMTAPVOTSA-N 0 3 261.196 3.194 20 30 CGEDHN C=C(C)CN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879549722 635809953 /nfs/dbraw/zinc/80/99/53/635809953.db2.gz WUBMZZDTPCJJKV-UHFFFAOYSA-N 0 3 261.369 3.093 20 30 CGEDHN C[C@@]1(C(F)(F)F)CCN(CCOc2ccccc2C#N)C1 ZINC000880000216 635895820 /nfs/dbraw/zinc/89/58/20/635895820.db2.gz KDSFVZGDENROCB-CQSZACIVSA-N 0 3 298.308 3.211 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OCC)c(OCC)c2)C1 ZINC000847022688 636313623 /nfs/dbraw/zinc/31/36/23/636313623.db2.gz JBWOQCNBRDOTAB-HNNXBMFYSA-N 0 3 287.403 3.329 20 30 CGEDHN Clc1cccnc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848402481 636567439 /nfs/dbraw/zinc/56/74/39/636567439.db2.gz BCOQADPWWWZHPQ-ZDUSSCGKSA-N 0 3 278.787 3.151 20 30 CGEDHN C=CCC[C@H](NCc1cc(F)cnc1Cl)[C@H]1CCCO1 ZINC000883226225 636597810 /nfs/dbraw/zinc/59/78/10/636597810.db2.gz UQFNFSMIGBSFBI-UONOGXRCSA-N 0 3 298.789 3.478 20 30 CGEDHN C=CCC[C@@H](NCc1cc(F)cnc1Cl)[C@@H]1CCCO1 ZINC000883226224 636598333 /nfs/dbraw/zinc/59/83/33/636598333.db2.gz UQFNFSMIGBSFBI-KGLIPLIRSA-N 0 3 298.789 3.478 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC000848924738 636697424 /nfs/dbraw/zinc/69/74/24/636697424.db2.gz ZEAMYAWFKYGBHX-OAHLLOKOSA-N 0 3 285.387 3.083 20 30 CGEDHN C=CCCNCc1cc(Br)cnc1Cl ZINC000850354720 637024689 /nfs/dbraw/zinc/02/46/89/637024689.db2.gz VWIHFLLGFWMZKO-UHFFFAOYSA-N 0 3 275.577 3.163 20 30 CGEDHN C[C@@H](NCc1cc(C#N)ccc1F)C(C)(C)C(F)F ZINC000850443071 637066347 /nfs/dbraw/zinc/06/63/47/637066347.db2.gz AOFQCVRWKNTANH-SECBINFHSA-N 0 3 270.298 3.467 20 30 CGEDHN C=CCOCCNCc1c(C)nn(-c2ccccc2C)c1C ZINC000886060117 637393956 /nfs/dbraw/zinc/39/39/56/637393956.db2.gz UYWOLZAAZDAJBZ-UHFFFAOYSA-N 0 3 299.418 3.090 20 30 CGEDHN C[C@H](NC[C@H]1CC[C@H](C2CC2)O1)c1ccc(C#N)cc1F ZINC000886125080 637426599 /nfs/dbraw/zinc/42/65/99/637426599.db2.gz IYSUABCITBAJDU-FABXCBLPSA-N 0 3 288.366 3.306 20 30 CGEDHN CCC(CC)CN(CCC#N)CC[C@@H]1COC(C)(C)O1 ZINC000851798645 637506630 /nfs/dbraw/zinc/50/66/30/637506630.db2.gz SILRVQJPUKYBIN-OAHLLOKOSA-N 0 3 282.428 3.180 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2nc(-c3ccccc3)oc2C)C1 ZINC000886353657 637509928 /nfs/dbraw/zinc/50/99/28/637509928.db2.gz MYXIDSBXXCXNIW-OAHLLOKOSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CCN(C(=O)C[C@H](CC)CCCC)C1CCN(C)CC1 ZINC000886581169 637590779 /nfs/dbraw/zinc/59/07/79/637590779.db2.gz LSVIMSMCAXHCJW-MRXNPFEDSA-N 0 3 292.467 3.149 20 30 CGEDHN C#C[C@](C)(CC)NCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000852100116 637593969 /nfs/dbraw/zinc/59/39/69/637593969.db2.gz FPCCBCQNCLYASC-LJQANCHMSA-N 0 3 295.382 3.173 20 30 CGEDHN CC[C@@H]1COC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000852555868 637678908 /nfs/dbraw/zinc/67/89/08/637678908.db2.gz AGYQRWBKBQOMPR-UKRRQHHQSA-N 0 3 297.320 3.072 20 30 CGEDHN C=CCOCCN1Cc2ccccc2OC2(CCC2)C1 ZINC000887150176 637764522 /nfs/dbraw/zinc/76/45/22/637764522.db2.gz ZQFOFMDZKNERES-UHFFFAOYSA-N 0 3 273.376 3.006 20 30 CGEDHN C[C@@H](CN1CCC(C)CC1)Nc1nc(Cl)c(C#N)s1 ZINC000853867106 637945587 /nfs/dbraw/zinc/94/55/87/637945587.db2.gz FHBLYNQDRZVHQD-JTQLQIEISA-N 0 3 298.843 3.200 20 30 CGEDHN C=CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC000857654279 638546405 /nfs/dbraw/zinc/54/64/05/638546405.db2.gz PVBOKTYCGSVMFM-INIZCTEOSA-N 0 3 284.419 3.012 20 30 CGEDHN C=CCCOCCN[C@H](c1ccccn1)C1CCC1 ZINC000925630387 638549248 /nfs/dbraw/zinc/54/92/48/638549248.db2.gz AKOUBTPXYVGMFF-INIZCTEOSA-N 0 3 260.381 3.105 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050511 638621904 /nfs/dbraw/zinc/62/19/04/638621904.db2.gz GDXAMNVHODBOSQ-CJNGLKHVSA-N 0 3 285.391 3.104 20 30 CGEDHN C=CC(C)(C)CCN[C@@H](C)c1cn(C(C)C)nn1 ZINC000926746363 638806663 /nfs/dbraw/zinc/80/66/63/638806663.db2.gz KZPDPLKXVPBNEK-LBPRGKRZSA-N 0 3 250.390 3.112 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC2(CCC2)O1 ZINC000929164176 638904080 /nfs/dbraw/zinc/90/40/80/638904080.db2.gz KKZQWIXXCVROGC-KRWDZBQOSA-N 0 3 284.403 3.482 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000929265049 638913403 /nfs/dbraw/zinc/91/34/03/638913403.db2.gz VLGHVMQMGMSWLN-GDBMZVCRSA-N 0 3 274.408 3.008 20 30 CGEDHN CC[C@H]1CO[C@H](C)CN1CCCCC1(C#N)CCC1 ZINC000929270307 638913761 /nfs/dbraw/zinc/91/37/61/638913761.db2.gz NLMXDVWUFBLDMD-CABCVRRESA-N 0 3 264.413 3.350 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000929322339 638918614 /nfs/dbraw/zinc/91/86/14/638918614.db2.gz IKSXOJDSBUSXSJ-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN(C)C[C@H]1CCCCO1 ZINC000929331017 638918942 /nfs/dbraw/zinc/91/89/42/638918942.db2.gz QVPHZVXOFGKDDQ-MRXNPFEDSA-N 0 3 272.392 3.176 20 30 CGEDHN CCC[C@@]1(C)CCCN(Cc2cncc(C#N)c2)C1 ZINC000929760473 638948345 /nfs/dbraw/zinc/94/83/45/638948345.db2.gz SVJHBUMKMHCWOF-INIZCTEOSA-N 0 3 257.381 3.355 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](CCO)c1ccccc1 ZINC000930191999 638981356 /nfs/dbraw/zinc/98/13/56/638981356.db2.gz UMOHAIZGSDEHGX-IBGZPJMESA-N 0 3 294.398 3.388 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cnc(-c3ccccc3)o2)C1 ZINC000930885266 639082927 /nfs/dbraw/zinc/08/29/27/639082927.db2.gz LYFIPUUOOFQKMP-AWEZNQCLSA-N 0 3 266.344 3.187 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000931288532 639130437 /nfs/dbraw/zinc/13/04/37/639130437.db2.gz MYGZCCCUHBRTKI-DZGCQCFKSA-N 0 3 287.407 3.019 20 30 CGEDHN C=CC[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000859446437 639142803 /nfs/dbraw/zinc/14/28/03/639142803.db2.gz ZWZNNWLZBVTNNG-IAQYHMDHSA-N 0 3 283.774 3.411 20 30 CGEDHN N#CCOc1ccc(CN2CCC(F)(C3CC3)CC2)cc1 ZINC000932630957 639369917 /nfs/dbraw/zinc/36/99/17/639369917.db2.gz SGPGRASPHIPSEL-UHFFFAOYSA-N 0 3 288.366 3.303 20 30 CGEDHN C[C@@H](CCC#N)N[C@H](CO)c1ccccc1C(F)(F)F ZINC000933242373 639430559 /nfs/dbraw/zinc/43/05/59/639430559.db2.gz WBTGDVYOVGSGRH-GXFFZTMASA-N 0 3 286.297 3.021 20 30 CGEDHN CN(CCCOC(C)(C)C)Cc1cc(C#N)cs1 ZINC000933777714 639489638 /nfs/dbraw/zinc/48/96/38/639489638.db2.gz NXWPXFKOQNRPJH-UHFFFAOYSA-N 0 3 266.410 3.257 20 30 CGEDHN COc1ccc([C@@H]2CCCN2CCC(C)(C)C#N)nc1 ZINC000934343753 639590932 /nfs/dbraw/zinc/59/09/32/639590932.db2.gz ONAQWZCSMINUEU-HNNXBMFYSA-N 0 3 273.380 3.167 20 30 CGEDHN Clc1ccccc1C#CCN[C@H]1CCOC12CCCC2 ZINC000934384048 639600355 /nfs/dbraw/zinc/60/03/55/639600355.db2.gz PPPXJQUZYLPYIF-INIZCTEOSA-N 0 3 289.806 3.383 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cnn(CC2CCC2)c1 ZINC000934558547 639631357 /nfs/dbraw/zinc/63/13/57/639631357.db2.gz DSVCNMIIUKEJLD-NOLJZWGESA-N 0 3 272.396 3.026 20 30 CGEDHN N#CCc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000934699284 639660746 /nfs/dbraw/zinc/66/07/46/639660746.db2.gz UBVDXOUILOLJSS-SFHVURJKSA-N 0 3 277.371 3.389 20 30 CGEDHN N#CC(C(=O)CC1CCCC1)c1nc2ccccc2[nH]1 ZINC000048520494 640056367 /nfs/dbraw/zinc/05/63/67/640056367.db2.gz KDPJYPARGVBFSW-GFCCVEGCSA-N 0 3 267.332 3.319 20 30 CGEDHN N#CC(C(=O)CCc1cccs1)c1nc2ccccc2[nH]1 ZINC000078733675 640337596 /nfs/dbraw/zinc/33/75/96/640337596.db2.gz CYAAPTJPUADYLG-GFCCVEGCSA-N 0 3 295.367 3.433 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCCOC2)c([O-])c1 ZINC000193680125 640489015 /nfs/dbraw/zinc/48/90/15/640489015.db2.gz NQGSXBZRQHIGCL-CRRKTRLDSA-N 0 3 290.407 3.084 20 30 CGEDHN C#Cc1cccc(NC(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000194769639 640552451 /nfs/dbraw/zinc/55/24/51/640552451.db2.gz MDDFEUFVDUMVTO-UHFFFAOYSA-N 0 3 293.370 3.374 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001009702640 640963624 /nfs/dbraw/zinc/96/36/24/640963624.db2.gz LIQWGYREWWHQSW-GFCCVEGCSA-N 0 3 296.411 3.048 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001016181545 640994116 /nfs/dbraw/zinc/99/41/16/640994116.db2.gz UNNVJISZERFFPQ-CQSZACIVSA-N 0 3 298.386 3.121 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1CC ZINC001017903624 641018867 /nfs/dbraw/zinc/01/88/67/641018867.db2.gz ZAPIFRGFRBOBAO-NXOAAHMSSA-N 0 3 290.451 3.064 20 30 CGEDHN Cc1cc(N(C)C)ccc1CNCc1cccc(C#N)c1 ZINC000115629232 641024563 /nfs/dbraw/zinc/02/45/63/641024563.db2.gz UEIYLDPXLSJVMY-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@]2(C)CCC[C@H]2CC)C1 ZINC001020295041 641044030 /nfs/dbraw/zinc/04/40/30/641044030.db2.gz JWFCHKPRUBVQJY-KQTLUZQSSA-N 0 3 298.858 3.192 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)CCCCC ZINC001157041491 805768242 /nfs/dbraw/zinc/76/82/42/805768242.db2.gz OYSRXPOSTUGGDQ-OAHLLOKOSA-N 0 3 280.456 3.053 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC=CCC1 ZINC001158322216 805938190 /nfs/dbraw/zinc/93/81/90/805938190.db2.gz UHVDOIVENHJYIA-IAGOWNOFSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC12CCCC2 ZINC001158714550 805988562 /nfs/dbraw/zinc/98/85/62/805988562.db2.gz SWWXAYIYBCFVTQ-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C[C@@](C)(O)CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001252558165 806064393 /nfs/dbraw/zinc/06/43/93/806064393.db2.gz NBBOTXVQQCRISY-HUUCEWRRSA-N 0 3 267.319 3.039 20 30 CGEDHN C=C[C@@](C)(O)CNCc1cc(Cl)ccc1Cl ZINC001252573139 806072624 /nfs/dbraw/zinc/07/26/24/806072624.db2.gz ZPONFRLOTGPSQV-GFCCVEGCSA-N 0 3 260.164 3.020 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CN1CCN(C)CC1 ZINC001252978705 806143412 /nfs/dbraw/zinc/14/34/12/806143412.db2.gz DEPWMCKZNNMBMZ-QGZVFWFLSA-N 0 3 284.488 3.126 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cc(CCC)n[nH]1 ZINC001253254513 806197912 /nfs/dbraw/zinc/19/79/12/806197912.db2.gz BTCWURRYTOHWEK-QGZVFWFLSA-N 0 3 293.455 3.339 20 30 CGEDHN N#CC1(c2ccc(F)cc2)CCC(n2cncc2CN)CC1 ZINC001254340786 806381383 /nfs/dbraw/zinc/38/13/83/806381383.db2.gz ANUQNRPRPLHJBN-UHFFFAOYSA-N 0 3 298.365 3.058 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)C2CCCC2)CC1 ZINC001161674239 806413894 /nfs/dbraw/zinc/41/38/94/806413894.db2.gz HZLZGZJUJMTJNE-OAHLLOKOSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cc3cccc(OC)c3o2)C1 ZINC001254645834 806470409 /nfs/dbraw/zinc/47/04/09/806470409.db2.gz RPOVXVMEJCUOFF-CQSZACIVSA-N 0 3 287.359 3.218 20 30 CGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1[C@@H]1CC[C@H](C#N)C1 ZINC001254648017 806471312 /nfs/dbraw/zinc/47/13/12/806471312.db2.gz WZSWHNZLNQSCLK-KCQAQPDRSA-N 0 3 280.375 3.435 20 30 CGEDHN C#CCN([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCc2ccccc21 ZINC001254668783 806479257 /nfs/dbraw/zinc/47/92/57/806479257.db2.gz LCONOOSMDLPPIT-QGPMSJSTSA-N 0 3 264.372 3.301 20 30 CGEDHN N#Cc1ccccc1OC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254667227 806479956 /nfs/dbraw/zinc/47/99/56/806479956.db2.gz AERPOBVRRMWAAV-GDBMZVCRSA-N 0 3 295.386 3.094 20 30 CGEDHN CC(C)[Si](C#Cn1cnc(CN)c1)(C(C)C)C(C)C ZINC001162302349 806551655 /nfs/dbraw/zinc/55/16/55/806551655.db2.gz PBKGLSBCNBQQMI-UHFFFAOYSA-N 0 3 277.488 3.369 20 30 CGEDHN CC[C@@H](CC#N)NCCN1CCC(Cc2ccccc2)CC1 ZINC001255152625 806554571 /nfs/dbraw/zinc/55/45/71/806554571.db2.gz ZHWRRFVGFPKDFU-IBGZPJMESA-N 0 3 299.462 3.223 20 30 CGEDHN C[C@@H](N)c1nc2ccccc2n1-c1cc(F)cc(CC#N)c1 ZINC001162777415 806663639 /nfs/dbraw/zinc/66/36/39/806663639.db2.gz BBKWUTIMQLNFAD-LLVKDONJSA-N 0 3 294.333 3.250 20 30 CGEDHN C[C@@H](CC(F)(F)F)NC(=N)c1ccc2ccccc2n1 ZINC001255642288 806689328 /nfs/dbraw/zinc/68/93/28/806689328.db2.gz WPWXBOSYHORKFC-VIFPVBQESA-N 0 3 281.281 3.281 20 30 CGEDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)c([O-])c1 ZINC000037748776 798873438 /nfs/dbraw/zinc/87/34/38/798873438.db2.gz RCMGGRIQHICXDI-ZDUSSCGKSA-N 0 3 266.344 3.423 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CC1 ZINC000176542587 799099171 /nfs/dbraw/zinc/09/91/71/799099171.db2.gz VPPLXGSCXVBTGC-ONGXEEELSA-N 0 3 254.289 3.050 20 30 CGEDHN COc1cc(N[C@H]2CNCc3ccsc32)ccc1CC#N ZINC001163230747 806731813 /nfs/dbraw/zinc/73/18/13/806731813.db2.gz ZLZVHNIBRFGCQY-AWEZNQCLSA-N 0 3 299.399 3.079 20 30 CGEDHN CCCCCCC[C@@H](C)NCc1nnc(CC)[nH]1 ZINC000392425098 799482291 /nfs/dbraw/zinc/48/22/91/799482291.db2.gz ZJDWCVKHHGMUQF-GFCCVEGCSA-N 0 3 252.406 3.206 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCC[C@H]2C2CC2)n1 ZINC000695816868 799835321 /nfs/dbraw/zinc/83/53/21/799835321.db2.gz OXOZKLJMRDSKJO-STQMWFEESA-N 0 3 261.394 3.073 20 30 CGEDHN C#C[C@H](NCc1cc(Cl)c(OC)c(OC)c1)C(C)(C)C ZINC000702283337 799906893 /nfs/dbraw/zinc/90/68/93/799906893.db2.gz UTKLUAQCGIXLOT-AWEZNQCLSA-N 0 3 295.810 3.495 20 30 CGEDHN C#C[C@@H](NCc1c[nH]nc1-c1cccs1)C(C)(C)C ZINC000702290393 799907228 /nfs/dbraw/zinc/90/72/28/799907228.db2.gz MSILRQOLVRLDOH-CYBMUJFWSA-N 0 3 273.405 3.276 20 30 CGEDHN Cc1ccc(CN2CC[C@H](c3nccs3)C2)cc1C#N ZINC000710353737 800033871 /nfs/dbraw/zinc/03/38/71/800033871.db2.gz CQCJPXLIBTVABB-AWEZNQCLSA-N 0 3 283.400 3.313 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000894216476 800577199 /nfs/dbraw/zinc/57/71/99/800577199.db2.gz CSPHKYDATSNOJU-DOMZBBRYSA-N 0 3 281.783 3.116 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CCCC[C@@H]2C)C1 ZINC001023151209 800705651 /nfs/dbraw/zinc/70/56/51/800705651.db2.gz HFDWCECXACRUKU-PMOUVXMZSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027877870 800823634 /nfs/dbraw/zinc/82/36/34/800823634.db2.gz BLCUJNMAJSYVRI-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276084 800836980 /nfs/dbraw/zinc/83/69/80/800836980.db2.gz GVBRXEBRKCUUSS-HNNXBMFYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001028294406 800840850 /nfs/dbraw/zinc/84/08/50/800840850.db2.gz BUICLLVVYBLXIO-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028336655 800841768 /nfs/dbraw/zinc/84/17/68/800841768.db2.gz AQMNHBYGIGYTIJ-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033685987 800973331 /nfs/dbraw/zinc/97/33/31/800973331.db2.gz YDIHYUJRIAUJLZ-AWEZNQCLSA-N 0 3 292.448 3.033 20 30 CGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033829457 800985085 /nfs/dbraw/zinc/98/50/85/800985085.db2.gz JQIYQOFHMRJRRS-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC1CCCC1)CC2 ZINC001035638854 801058195 /nfs/dbraw/zinc/05/81/95/801058195.db2.gz VGASFJQTDBJIMX-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001038290159 801122588 /nfs/dbraw/zinc/12/25/88/801122588.db2.gz XZZNXWILUBFPBG-INIZCTEOSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001039062131 801145268 /nfs/dbraw/zinc/14/52/68/801145268.db2.gz UWTIZTJQFCGZHE-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039896091 801168602 /nfs/dbraw/zinc/16/86/02/801168602.db2.gz DUUJCOPIESTSPH-SOLBZPMBSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC001045647394 801283348 /nfs/dbraw/zinc/28/33/48/801283348.db2.gz DCUAEFZAZPJYMD-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320542 801307363 /nfs/dbraw/zinc/30/73/63/801307363.db2.gz JMCOLKOYWZZZBS-NVXWUHKLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046577793 801314975 /nfs/dbraw/zinc/31/49/75/801314975.db2.gz CAFYPEJJGXUSAP-SFHVURJKSA-N 0 3 286.419 3.019 20 30 CGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046749788 801322811 /nfs/dbraw/zinc/32/28/11/801322811.db2.gz PIFDAENVXZRXFB-LJQANCHMSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)c(C)c1 ZINC001049872308 801391013 /nfs/dbraw/zinc/39/10/13/801391013.db2.gz RCXCWULJMSJACY-ROUUACIJSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C3CC3)CCC2)CC[C@H]1C ZINC001071709018 801547009 /nfs/dbraw/zinc/54/70/09/801547009.db2.gz PMZGXWJIIIYIFF-ZBFHGGJFSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085594577 801695033 /nfs/dbraw/zinc/69/50/33/801695033.db2.gz JYUNFELJRFCQGS-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1C ZINC001088584155 801801750 /nfs/dbraw/zinc/80/17/50/801801750.db2.gz FRPOIFIEWFQMSL-CJNGLKHVSA-N 0 3 298.386 3.202 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC001088898137 801813693 /nfs/dbraw/zinc/81/36/93/801813693.db2.gz PZSNPKAMNJVXQM-PWSUYJOCSA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1C ZINC001088979289 801814790 /nfs/dbraw/zinc/81/47/90/801814790.db2.gz FWUHYXFRGLJZEW-HIFRSBDPSA-N 0 3 290.407 3.001 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cccc1C)C2 ZINC001096053370 801887763 /nfs/dbraw/zinc/88/77/63/801887763.db2.gz MTZFUORLFDGTJY-IKGGRYGDSA-N 0 3 298.430 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001099121642 801927952 /nfs/dbraw/zinc/92/79/52/801927952.db2.gz MXDJHFPFVASCON-GJZGRUSLSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)CN1CC(=C)C ZINC001099171919 801932719 /nfs/dbraw/zinc/93/27/19/801932719.db2.gz WNOJJYYOGGQLBF-OAHLLOKOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(C)CCC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103041865 802026959 /nfs/dbraw/zinc/02/69/59/802026959.db2.gz SEHORGKDVJXRRF-UKRRQHHQSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)(C)C)C2 ZINC001109804477 802125692 /nfs/dbraw/zinc/12/56/92/802125692.db2.gz QBNAEALFWSHRHW-WCVJEAGWSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC001112693697 802186311 /nfs/dbraw/zinc/18/63/11/802186311.db2.gz NUWKJNMDMIWNNX-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCCCCCC(=O)N1CCN([C@H](C)CCC=C)CC1 ZINC001113205078 802205195 /nfs/dbraw/zinc/20/51/95/802205195.db2.gz KHGYEMPEIABERL-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CCc2ccc(Cl)cc21 ZINC001116643453 802391380 /nfs/dbraw/zinc/39/13/80/802391380.db2.gz PAVUMXZRLDFLEI-JSGCOSHPSA-N 0 3 251.757 3.118 20 30 CGEDHN CN(C)c1ccc(/C=C\C=NN[C@@H]2CCCSC2)cc1 ZINC001119307071 802646842 /nfs/dbraw/zinc/64/68/42/802646842.db2.gz KIIWXJAGWGBVRH-GUBUFZCXSA-N 0 3 289.448 3.237 20 30 CGEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)[C@H]1c1ccccc1 ZINC001119323439 802649265 /nfs/dbraw/zinc/64/92/65/802649265.db2.gz ZUMDUZOALZIBSX-HYVNUMGLSA-N 0 3 299.418 3.007 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC001122517734 802874210 /nfs/dbraw/zinc/87/42/10/802874210.db2.gz JEKOQQXKLRZRKN-CYBMUJFWSA-N 0 3 273.380 3.203 20 30 CGEDHN N#CC(C(=O)CCC(=O)c1ccccc1)c1cccc(F)n1 ZINC001122631709 802877503 /nfs/dbraw/zinc/87/75/03/802877503.db2.gz ITMNIJMNRWMCSF-ZDUSSCGKSA-N 0 3 296.301 3.060 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001123335993 802930351 /nfs/dbraw/zinc/93/03/51/802930351.db2.gz AXYOUZMFWXZWMJ-CGAUPDFVSA-N 0 3 297.402 3.152 20 30 CGEDHN CN(C)Cc1cccc(-c2cccc(C3(C#N)CC3)c2)n1 ZINC001244074960 803172152 /nfs/dbraw/zinc/17/21/52/803172152.db2.gz UVWVPLDTZSBIEG-UHFFFAOYSA-N 0 3 277.371 3.365 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001132671568 803426666 /nfs/dbraw/zinc/42/66/66/803426666.db2.gz WHCIQQRUCIILHV-ZIAGYGMSSA-N 0 3 292.398 3.195 20 30 CGEDHN COc1ccc2[nH]cc(CN3CCC[C@@H](C#N)CC3)c2c1 ZINC001138510665 803955150 /nfs/dbraw/zinc/95/51/50/803955150.db2.gz FLBIHLAPSHGBJN-CYBMUJFWSA-N 0 3 283.375 3.302 20 30 CGEDHN C=CCc1cccc(C[N@H+]2C[C@H](C)CC23CC3)c1[O-] ZINC001138630404 803984945 /nfs/dbraw/zinc/98/49/45/803984945.db2.gz WDICNILKBOWDRJ-CYBMUJFWSA-N 0 3 257.377 3.495 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2C[C@H](C)CC23CC3)c1[O-] ZINC001138630404 803984953 /nfs/dbraw/zinc/98/49/53/803984953.db2.gz WDICNILKBOWDRJ-CYBMUJFWSA-N 0 3 257.377 3.495 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1[O-] ZINC001138628361 803985443 /nfs/dbraw/zinc/98/54/43/803985443.db2.gz TTXSIIBMDMLUIQ-QGZVFWFLSA-N 0 3 295.386 3.248 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1[O-] ZINC001138628361 803985448 /nfs/dbraw/zinc/98/54/48/803985448.db2.gz TTXSIIBMDMLUIQ-QGZVFWFLSA-N 0 3 295.386 3.248 20 30 CGEDHN C=CCc1cccc(CN2CCC[C@@H]2c2cnccn2)c1O ZINC001138628361 803985450 /nfs/dbraw/zinc/98/54/50/803985450.db2.gz TTXSIIBMDMLUIQ-QGZVFWFLSA-N 0 3 295.386 3.248 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)Cc2ccccc2O)c1[O-] ZINC001138629900 803986385 /nfs/dbraw/zinc/98/63/85/803986385.db2.gz KEXNDOFCYFDBHR-UHFFFAOYSA-N 0 3 283.371 3.458 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccccc2O)c1[O-] ZINC001138629900 803986389 /nfs/dbraw/zinc/98/63/89/803986389.db2.gz KEXNDOFCYFDBHR-UHFFFAOYSA-N 0 3 283.371 3.458 20 30 CGEDHN CCCOc1ccccc1CN1CCC(S)CC1 ZINC001139002303 804106629 /nfs/dbraw/zinc/10/66/29/804106629.db2.gz XFQGFBSULUJWLU-UHFFFAOYSA-N 0 3 265.422 3.370 20 30 CGEDHN COc1ccc2c(c1)c(CN1CCC[C@H](C#N)CC1)cn2C ZINC001139147761 804137788 /nfs/dbraw/zinc/13/77/88/804137788.db2.gz PBLSOOCJNOVUGO-AWEZNQCLSA-N 0 3 297.402 3.313 20 30 CGEDHN N#C[C@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001139555425 804207624 /nfs/dbraw/zinc/20/76/24/804207624.db2.gz WVEJUXDBKWZAJU-AWEZNQCLSA-N 0 3 280.375 3.202 20 30 CGEDHN CCN(Cc1cccc(Cl)c1C#N)C1CCOCC1 ZINC001139690423 804255247 /nfs/dbraw/zinc/25/52/47/804255247.db2.gz AZESBFBFSSSKOU-UHFFFAOYSA-N 0 3 278.783 3.213 20 30 CGEDHN CC(C)N1CCN(Cc2cccc(Cl)c2C#N)C[C@@H]1C ZINC001139693169 804256729 /nfs/dbraw/zinc/25/67/29/804256729.db2.gz RUNIHIPCCYLJIV-ZDUSSCGKSA-N 0 3 291.826 3.126 20 30 CGEDHN CCCCCCCCCC[C@H](C)N[C@@H]1CNCCC1=O ZINC001246287843 804260761 /nfs/dbraw/zinc/26/07/61/804260761.db2.gz GJYDXHFKFRFMNC-JKSUJKDBSA-N 0 3 282.472 3.426 20 30 CGEDHN CCCCCCCCCC[C@@H](C)N[C@H]1CNCCC1=O ZINC001246287840 804261014 /nfs/dbraw/zinc/26/10/14/804261014.db2.gz GJYDXHFKFRFMNC-CVEARBPZSA-N 0 3 282.472 3.426 20 30 CGEDHN Cc1nccn1-c1ccccc1CN1CCC(C)(C#N)CC1 ZINC001140027026 804354222 /nfs/dbraw/zinc/35/42/22/804354222.db2.gz VHBRORDAZAKHMF-UHFFFAOYSA-N 0 3 294.402 3.306 20 30 CGEDHN C=CCN(C)Cc1cc(Br)ccc1C ZINC001140650308 804484531 /nfs/dbraw/zinc/48/45/31/804484531.db2.gz GAOROZWUOWAAGH-UHFFFAOYSA-N 0 3 254.171 3.375 20 30 CGEDHN COc1ccc2nccc(CN3CCC[C@H](CC#N)C3)c2c1 ZINC001141150928 804599090 /nfs/dbraw/zinc/59/90/90/804599090.db2.gz TXVRPYQPHJALHR-CQSZACIVSA-N 0 3 295.386 3.369 20 30 CGEDHN CCCCCCCCNC(=S)N[C@]1(C)CCCN(C)C1 ZINC001247185910 804677329 /nfs/dbraw/zinc/67/73/29/804677329.db2.gz BPRXIQUUXJKOTM-MRXNPFEDSA-N 0 3 299.528 3.295 20 30 CGEDHN CCN(Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccn1 ZINC001142922380 804785016 /nfs/dbraw/zinc/78/50/16/804785016.db2.gz GCZMGMUVGPHZPS-UHFFFAOYSA-N 0 3 290.370 3.457 20 30 CGEDHN C#CC1CCN(Cc2c3ccoc3ccc2F)CC1 ZINC001248541904 804945222 /nfs/dbraw/zinc/94/52/22/804945222.db2.gz OZXQXTNHTDPXJH-UHFFFAOYSA-N 0 3 257.308 3.417 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001248748368 804982235 /nfs/dbraw/zinc/98/22/35/804982235.db2.gz HKGONWSMJSLDPZ-SJLPKXTDSA-N 0 3 284.403 3.122 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H](Oc3cccnc3)C2)cc1 ZINC001144573591 805008127 /nfs/dbraw/zinc/00/81/27/805008127.db2.gz MHQWECIYOYMJLA-IBGZPJMESA-N 0 3 292.382 3.106 20 30 CGEDHN N#Cc1ccn2ncc(CN3CCC34CCCCC4)c2c1 ZINC001249087192 805086770 /nfs/dbraw/zinc/08/67/70/805086770.db2.gz XVKZGRCHEDYKBB-UHFFFAOYSA-N 0 3 280.375 3.115 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC[C@]4(CCOC4)C3)[nH]c2c1 ZINC001249427302 805146912 /nfs/dbraw/zinc/14/69/12/805146912.db2.gz YHKWGZQVKXHUCI-SFHVURJKSA-N 0 3 295.386 3.042 20 30 CGEDHN CCCCCCCCC(=O)NCCNCc1cccnc1 ZINC001148727788 805207279 /nfs/dbraw/zinc/20/72/79/805207279.db2.gz LKSJFSFAQGVEDX-UHFFFAOYSA-N 0 3 291.439 3.038 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001249681568 805209455 /nfs/dbraw/zinc/20/94/55/805209455.db2.gz WWESHDYZPNJFIU-GXTWGEPZSA-N 0 3 258.340 3.319 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCC[C@@H](C)CC ZINC001153569969 805403157 /nfs/dbraw/zinc/40/31/57/805403157.db2.gz FULFCRMJLHWFBO-JKSUJKDBSA-N 0 3 280.456 3.053 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)CCC1 ZINC001154890084 805506001 /nfs/dbraw/zinc/50/60/01/805506001.db2.gz UXSUHSFOCNQCCD-HNNXBMFYSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166692581 807084415 /nfs/dbraw/zinc/08/44/15/807084415.db2.gz CGBKTOBKTBNQDN-TZMCWYRMSA-N 0 3 298.858 3.073 20 30 CGEDHN COCCN(Cc1ccc(C)cc1C)CC1(CC#N)CC1 ZINC001167227314 807169154 /nfs/dbraw/zinc/16/91/54/807169154.db2.gz KRUCUEMXMBUOJA-UHFFFAOYSA-N 0 3 286.419 3.446 20 30 CGEDHN C#CCN(CC)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001167578054 807208116 /nfs/dbraw/zinc/20/81/16/807208116.db2.gz WXXZOHNXFIXXDF-DLBZAZTESA-N 0 3 257.377 3.252 20 30 CGEDHN CCCCCCC[C@@H](C)N1CC[C@](F)(C(=O)OC)C1 ZINC001258044280 807273719 /nfs/dbraw/zinc/27/37/19/807273719.db2.gz KVGNEXICAZPBHV-UKRRQHHQSA-N 0 3 273.392 3.322 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCC[C@@H]1C(=O)OC ZINC001258045400 807274271 /nfs/dbraw/zinc/27/42/71/807274271.db2.gz ZYXADZCHUDQQCS-ZIAGYGMSSA-N 0 3 255.402 3.373 20 30 CGEDHN CCCCC(CCCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001258384597 807434773 /nfs/dbraw/zinc/43/47/73/807434773.db2.gz GFBJISWPSKLHLA-AWEZNQCLSA-N 0 3 272.433 3.245 20 30 CGEDHN C#CCN(CC#C)[C@@H](CCCC)Cc1ccccc1 ZINC001258714825 807565395 /nfs/dbraw/zinc/56/53/95/807565395.db2.gz TYUYFQDQJMREPE-SFHVURJKSA-N 0 3 253.389 3.356 20 30 CGEDHN C=CCC[C@H](C)N1CCN(c2ccc3c(c2)CCC3=O)CC1 ZINC001258736408 807582098 /nfs/dbraw/zinc/58/20/98/807582098.db2.gz RSDFGBRLUFJDQO-HNNXBMFYSA-N 0 3 298.430 3.292 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2csc(C#N)c2)c1 ZINC001261261118 807724359 /nfs/dbraw/zinc/72/43/59/807724359.db2.gz KCUDJZKJHIIZND-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C[C@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170379194 807832906 /nfs/dbraw/zinc/83/29/06/807832906.db2.gz SOWVIUDNPFQLML-ZLPCBKJTSA-N 0 3 284.403 3.111 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3cc(F)cc(F)c3C2)o1 ZINC001170678161 807872565 /nfs/dbraw/zinc/87/25/65/807872565.db2.gz WHLLRNJFAJXLDI-LBPRGKRZSA-N 0 3 288.297 3.077 20 30 CGEDHN N#C[C@@H]1CCCN([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170701602 807877866 /nfs/dbraw/zinc/87/78/66/807877866.db2.gz QSWMPIAHGFBVSZ-IUODEOHRSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cccc(C)c1C ZINC001263085948 807931637 /nfs/dbraw/zinc/93/16/37/807931637.db2.gz OYCKPZUFDNEVNF-ZBFHGGJFSA-N 0 3 274.408 3.164 20 30 CGEDHN SCCCNc1nc2cccc(Br)c2[nH]1 ZINC001171002150 807955956 /nfs/dbraw/zinc/95/59/56/807955956.db2.gz HIMQDFBQSFDRTE-UHFFFAOYSA-N 0 3 286.198 3.057 20 30 CGEDHN CC(C)c1cc(CN[C@@H](C)Cc2cccc(C#N)c2)on1 ZINC001171185308 808003522 /nfs/dbraw/zinc/00/35/22/808003522.db2.gz QJIKWQKMRXTNEF-ZDUSSCGKSA-N 0 3 283.375 3.390 20 30 CGEDHN CC(C)Cn1cnc(CN[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171198949 808007965 /nfs/dbraw/zinc/00/79/65/808007965.db2.gz UAAZJTQTDDAYBF-OAHLLOKOSA-N 0 3 296.418 3.132 20 30 CGEDHN C#CCCN1CCC[C@H]1Cc1ccccc1Br ZINC001171308679 808023875 /nfs/dbraw/zinc/02/38/75/808023875.db2.gz SMCSRJUCPDWFIQ-AWEZNQCLSA-N 0 3 292.220 3.479 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)/C(C)=C\C ZINC001264508706 808076094 /nfs/dbraw/zinc/07/60/94/808076094.db2.gz KUFMCOYNLHCCAA-HHUHYDFUSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001265403574 808139895 /nfs/dbraw/zinc/13/98/95/808139895.db2.gz LXZOONRQPQHRGB-HRCADAONSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](CC)C(C)C ZINC001265414946 808140764 /nfs/dbraw/zinc/14/07/64/808140764.db2.gz SQFOZDYAJYORFH-YESZJQIVSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C=C)CC ZINC001265411499 808140966 /nfs/dbraw/zinc/14/09/66/808140966.db2.gz MMHDNIRPOCLFBE-YESZJQIVSA-N 0 3 290.451 3.230 20 30 CGEDHN C=CCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001265468431 808146253 /nfs/dbraw/zinc/14/62/53/808146253.db2.gz CKKLNGZHNJTXTE-MGPQQGTHSA-N 0 3 290.382 3.090 20 30 CGEDHN C=C1CCC(C(=O)NC[C@H](C)NCc2ccsc2)CC1 ZINC001265820442 808185329 /nfs/dbraw/zinc/18/53/29/808185329.db2.gz CZIYBBZZWKIJFO-ZDUSSCGKSA-N 0 3 292.448 3.089 20 30 CGEDHN CC[C@@H](C)OCC[C@H](C)NCc1ccccc1C#N ZINC001172320358 808229127 /nfs/dbraw/zinc/22/91/27/808229127.db2.gz XIYQCEQMXLAVRW-UONOGXRCSA-N 0 3 260.381 3.242 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCc2ncsc2C1 ZINC001172320109 808229246 /nfs/dbraw/zinc/22/92/46/808229246.db2.gz TWWCRONLYDEVPB-GFCCVEGCSA-N 0 3 283.400 3.004 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001266307551 808239826 /nfs/dbraw/zinc/23/98/26/808239826.db2.gz GHCSHDXSPLDGOS-GOSISDBHSA-N 0 3 298.430 3.221 20 30 CGEDHN C=CCN(CCNC(=O)C1(CC)CCCCC1)C1CC1 ZINC001266621767 808298151 /nfs/dbraw/zinc/29/81/51/808298151.db2.gz KAWHUFWOZKRJPN-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN CC(C)OCC[C@@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001172441946 808316125 /nfs/dbraw/zinc/31/61/25/808316125.db2.gz FKMAODMRORRRTI-CQSZACIVSA-N 0 3 272.392 3.120 20 30 CGEDHN C[C@H](CCCC#N)N1CCc2ncc(Cl)cc2C1 ZINC001172498496 808356148 /nfs/dbraw/zinc/35/61/48/808356148.db2.gz NPOSNZLJGNXGJM-LLVKDONJSA-N 0 3 263.772 3.175 20 30 CGEDHN Cc1ccc(CN2CCN([C@H](C)CCCC#N)CC2)cc1 ZINC001172503405 808358742 /nfs/dbraw/zinc/35/87/42/808358742.db2.gz AWUQPMHGHVDWPE-QGZVFWFLSA-N 0 3 285.435 3.195 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001267320637 808413812 /nfs/dbraw/zinc/41/38/12/808413812.db2.gz QLAOULILYPMKBL-DLBZAZTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1cc(C)c(C)o1)c1ccccc1 ZINC001267358111 808420223 /nfs/dbraw/zinc/42/02/23/808420223.db2.gz WXZLIQCUZGXANO-INIZCTEOSA-N 0 3 298.386 3.143 20 30 CGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)CCCC)C1 ZINC001267459533 808429202 /nfs/dbraw/zinc/42/92/02/808429202.db2.gz KTBQILPWPXZGMZ-DLBZAZTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@H](C)c1ccco1)c1ccccc1 ZINC001267523818 808439599 /nfs/dbraw/zinc/43/95/99/808439599.db2.gz XHYPYLWHICZWJB-GDBMZVCRSA-N 0 3 298.386 3.016 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(CC/C=C/CCC)C1 ZINC001267687910 808470634 /nfs/dbraw/zinc/47/06/34/808470634.db2.gz RQXBRYVWNPNPOL-CMDGGOBGSA-N 0 3 292.467 3.383 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912099 808475780 /nfs/dbraw/zinc/47/57/80/808475780.db2.gz LWBYIZPPAVXTHJ-GJZGRUSLSA-N 0 3 287.363 3.124 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC(C)(C)CC)C1 ZINC001267786978 808491992 /nfs/dbraw/zinc/49/19/92/808491992.db2.gz SSPFDWQHKBLRSN-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001267789097 808493707 /nfs/dbraw/zinc/49/37/07/808493707.db2.gz FNHFVUGDSRBRLT-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN CCCOC1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001173090634 808504872 /nfs/dbraw/zinc/50/48/72/808504872.db2.gz ABKJKWYZGNDVKK-UHFFFAOYSA-N 0 3 295.814 3.178 20 30 CGEDHN C=CCCC(=O)N(CC)CCN[C@H](C)c1ccccc1F ZINC001268441459 808587853 /nfs/dbraw/zinc/58/78/53/808587853.db2.gz RPZYQJBAAICVPG-CQSZACIVSA-N 0 3 292.398 3.291 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1ccsc1 ZINC001268589513 808599052 /nfs/dbraw/zinc/59/90/52/808599052.db2.gz ZZWQZPTVKKAQOQ-MOEXGYKKSA-N 0 3 292.448 3.112 20 30 CGEDHN COC(=O)c1cccc2c1CN(C1CCC(CC#N)CC1)C2 ZINC001173339933 808619718 /nfs/dbraw/zinc/61/97/18/808619718.db2.gz VRSACFLXVXHYON-UHFFFAOYSA-N 0 3 298.386 3.261 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001268959561 808638072 /nfs/dbraw/zinc/63/80/72/808638072.db2.gz DCCNSIWDGVFIIM-GJZGRUSLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001268969972 808639343 /nfs/dbraw/zinc/63/93/43/808639343.db2.gz RJNOMJHFHNQLCH-GJZGRUSLSA-N 0 3 278.440 3.064 20 30 CGEDHN CC1(C#N)CCC(NCC(=O)c2ccc(F)cc2)CC1 ZINC001173584858 808646460 /nfs/dbraw/zinc/64/64/60/808646460.db2.gz OJEDCPJNKKPUFV-UHFFFAOYSA-N 0 3 274.339 3.070 20 30 CGEDHN CC1(C#N)CCC(NCC(=O)c2cccc(F)c2)CC1 ZINC001173591314 808648837 /nfs/dbraw/zinc/64/88/37/808648837.db2.gz OMVNNMVXUIBNPN-UHFFFAOYSA-N 0 3 274.339 3.070 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCCC(C)(C)C)C1 ZINC001269246218 808659960 /nfs/dbraw/zinc/65/99/60/808659960.db2.gz ULEWKFADTIBDRO-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001269287327 808666535 /nfs/dbraw/zinc/66/65/35/808666535.db2.gz HPWDJTCPIYGAQY-HOTGVXAUSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001270642785 808741157 /nfs/dbraw/zinc/74/11/57/808741157.db2.gz OGMNMVPZVBURLT-MAUKXSAKSA-N 0 3 292.467 3.360 20 30 CGEDHN C#Cc1ccc(Nc2ccccc2CN(C)C)cc1 ZINC001173932505 808770906 /nfs/dbraw/zinc/77/09/06/808770906.db2.gz QVZOZCYHEJJEDG-UHFFFAOYSA-N 0 3 250.345 3.473 20 30 CGEDHN C=C(CCC(=O)N1CCC2(CN(C)C2)CC1)c1ccccc1 ZINC001272724370 808822857 /nfs/dbraw/zinc/82/28/57/808822857.db2.gz GUMODLUTSBXQHF-UHFFFAOYSA-N 0 3 298.430 3.034 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001273204991 808837541 /nfs/dbraw/zinc/83/75/41/808837541.db2.gz QKYZAPYYJWNDNW-URGYJCLVSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)/C(C)=C\C)cc2C1 ZINC001274027930 808866266 /nfs/dbraw/zinc/86/62/66/808866266.db2.gz PCRXGWFPNXMKCM-RZNTYIFUSA-N 0 3 284.403 3.161 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1CCCCCCC1 ZINC001275122172 808912117 /nfs/dbraw/zinc/91/21/17/808912117.db2.gz WVZGOHXWXGHQSJ-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001276891766 809042008 /nfs/dbraw/zinc/04/20/08/809042008.db2.gz MGJRBOZNZDPFJY-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN CC#CCCCC(=O)NC[C@H]1CCN1CCCC(C)(C)C ZINC001276910248 809043269 /nfs/dbraw/zinc/04/32/69/809043269.db2.gz XTKPZDOSQSHWKK-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001278437197 809133457 /nfs/dbraw/zinc/13/34/57/809133457.db2.gz AANXWKOMEOSFCN-DOTOQJQBSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001278515693 809138526 /nfs/dbraw/zinc/13/85/26/809138526.db2.gz KSDNYGQFPIXIGP-CVEARBPZSA-N 0 3 278.440 3.278 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C(CCC)CCC)[C@H]1C ZINC001278520811 809139189 /nfs/dbraw/zinc/13/91/89/809139189.db2.gz ISWXWMDZHWEWGA-WBVHZDCISA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCC[C@H](F)C1)C(C)C ZINC001278908855 809155560 /nfs/dbraw/zinc/15/55/60/809155560.db2.gz YWWXGFHMNBXURI-CVEARBPZSA-N 0 3 298.446 3.260 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)CC1CC1 ZINC001280315149 809184665 /nfs/dbraw/zinc/18/46/65/809184665.db2.gz KZXIKVOATBAWAM-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C=C)CC)cc1 ZINC001280354363 809186532 /nfs/dbraw/zinc/18/65/32/809186532.db2.gz OCZHLAZJCUGFQN-HOTGVXAUSA-N 0 3 298.430 3.189 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001281542862 809213978 /nfs/dbraw/zinc/21/39/78/809213978.db2.gz XPSBDZIFGOCUBT-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(CC)CC ZINC001282279824 809239644 /nfs/dbraw/zinc/23/96/44/809239644.db2.gz KEMBYYVYUBUCEG-UHFFFAOYSA-N 0 3 288.863 3.249 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001282978279 809267535 /nfs/dbraw/zinc/26/75/35/809267535.db2.gz VTWCBRHOHMWKCJ-MRXNPFEDSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccc(F)c(C)c1)C(C)C ZINC001284544549 809307725 /nfs/dbraw/zinc/30/77/25/809307725.db2.gz ITYTYOSLFAIWBM-UHFFFAOYSA-N 0 3 292.398 3.103 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(F)c(C)c2)c1 ZINC001178949257 809895790 /nfs/dbraw/zinc/89/57/90/809895790.db2.gz FOCLYEOPLUFHHM-UHFFFAOYSA-N 0 3 253.320 3.405 20 30 CGEDHN CC(C)[C@@H]1CCCN(Cc2cccc(C#N)n2)CC1 ZINC001179931687 809959862 /nfs/dbraw/zinc/95/98/62/809959862.db2.gz PZQCQCDQPCZJMB-CQSZACIVSA-N 0 3 257.381 3.211 20 30 CGEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001181510746 810056569 /nfs/dbraw/zinc/05/65/69/810056569.db2.gz CMUVDUSAXDILNE-OAHLLOKOSA-N 0 3 298.386 3.090 20 30 CGEDHN CC(C)(NCC#Cc1ccccc1)c1cccc(C#N)c1 ZINC001182874114 810128454 /nfs/dbraw/zinc/12/84/54/810128454.db2.gz OMBWCXPXSRTSBB-UHFFFAOYSA-N 0 3 274.367 3.435 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190371948 810623139 /nfs/dbraw/zinc/62/31/39/810623139.db2.gz XFDYBSGTFIBENI-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C[C@H](Cc1ccsc1)N(C)Cc1cc(C#N)ccn1 ZINC001191410011 810711138 /nfs/dbraw/zinc/71/11/38/810711138.db2.gz ZJFBBLALOGCTJW-GFCCVEGCSA-N 0 3 271.389 3.078 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@H]2[C@@H](C1)C2(F)F ZINC001192390859 810793577 /nfs/dbraw/zinc/79/35/77/810793577.db2.gz QALAHYVRLRRXJS-LSDHHAIUSA-N 0 3 276.330 3.262 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc(F)cc1Cl ZINC001193920993 810980774 /nfs/dbraw/zinc/98/07/74/810980774.db2.gz SJYBUSVOEOAYNG-UHFFFAOYSA-N 0 3 284.806 3.419 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194306755 811049975 /nfs/dbraw/zinc/04/99/75/811049975.db2.gz WWCOWNCOLHPFTQ-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC001195489047 811262198 /nfs/dbraw/zinc/26/21/98/811262198.db2.gz XJZDSCNLEGCOBM-UHFFFAOYSA-N 0 3 290.407 3.011 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC001196471024 811347748 /nfs/dbraw/zinc/34/77/48/811347748.db2.gz KBOANKHMFRMDNE-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(CCCCCF)CC1 ZINC001197036174 811391466 /nfs/dbraw/zinc/39/14/66/811391466.db2.gz BHYQHRRJJOCFPM-KRWDZBQOSA-N 0 3 298.446 3.263 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC001198204512 811485083 /nfs/dbraw/zinc/48/50/83/811485083.db2.gz ISUBCDADEPERBM-QGZVFWFLSA-N 0 3 292.467 3.151 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCO[C@H](c3ccccc3)CC2)C1 ZINC001198708565 811537409 /nfs/dbraw/zinc/53/74/09/811537409.db2.gz ZDYWKVHIJVKKAQ-PVAVHDDUSA-N 0 3 270.376 3.142 20 30 CGEDHN C=CCOCCN1CCc2cc(C(C)C)ccc2C1 ZINC001198844725 811546839 /nfs/dbraw/zinc/54/68/39/811546839.db2.gz RTUCWVDXOFZYNP-UHFFFAOYSA-N 0 3 259.393 3.371 20 30 CGEDHN CCC[C@@H](C)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC001201554423 811901713 /nfs/dbraw/zinc/90/17/13/811901713.db2.gz XPXZYKHZACYQIX-CQSZACIVSA-N 0 3 289.398 3.256 20 30 CGEDHN CCCCCCCCCN1CCN(c2cncnc2)CC1 ZINC001201852587 811972169 /nfs/dbraw/zinc/97/21/69/811972169.db2.gz DLAKQRCRPPXSKN-UHFFFAOYSA-N 0 3 290.455 3.349 20 30 CGEDHN C=CCSCCNCc1cnc([C@@H]2CCCO2)s1 ZINC001201939396 811978258 /nfs/dbraw/zinc/97/82/58/811978258.db2.gz QMCINNIYUVWYPT-LBPRGKRZSA-N 0 3 284.450 3.003 20 30 CGEDHN CC1(C)OCCC12CCN(Cc1ccccc1C#N)CC2 ZINC001204373633 812622567 /nfs/dbraw/zinc/62/25/67/812622567.db2.gz ZFXBTIPCEPEAKP-UHFFFAOYSA-N 0 3 284.403 3.339 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(F)cc3Cl)CCC2S1 ZINC001204434737 812637117 /nfs/dbraw/zinc/63/71/17/812637117.db2.gz NAQXZMCPNPGZSO-CYBMUJFWSA-N 0 3 297.782 3.253 20 30 CGEDHN C=CCCN(Cc1cn(C)nc1C)Cc1ccccc1 ZINC001204578160 812680433 /nfs/dbraw/zinc/68/04/33/812680433.db2.gz DYJMTFLBCYFWHO-UHFFFAOYSA-N 0 3 269.392 3.307 20 30 CGEDHN C=CCCCCCCCCCN1C[C@@H](F)[C@@H](N)C1 ZINC001204809504 812743581 /nfs/dbraw/zinc/74/35/81/812743581.db2.gz IBRJJGBHPJWESS-CABCVRRESA-N 0 3 256.409 3.274 20 30 CGEDHN C#C[C@@H](NCc1cn(C)nc1C1CCCC1)C(C)(C)C ZINC001206076976 813191373 /nfs/dbraw/zinc/19/13/73/813191373.db2.gz HQGHDTOIBQIJDT-OAHLLOKOSA-N 0 3 273.424 3.215 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(F)cc2C)no1 ZINC001206094366 813198796 /nfs/dbraw/zinc/19/87/96/813198796.db2.gz JQRIGENVKCGWOS-UHFFFAOYSA-N 0 3 287.338 3.293 20 30 CGEDHN C=CCCCCCCN1CC[C@](N)(C(F)(F)F)C1 ZINC001206221722 813247262 /nfs/dbraw/zinc/24/72/62/813247262.db2.gz INNJUWMXYMSDLX-GFCCVEGCSA-N 0 3 264.335 3.088 20 30 CGEDHN CNc1ccccc1CN1CCc2c(CC#N)cccc2C1 ZINC001207008970 813465736 /nfs/dbraw/zinc/46/57/36/813465736.db2.gz QMVKOERDPSZXEJ-UHFFFAOYSA-N 0 3 291.398 3.353 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001207120443 813489813 /nfs/dbraw/zinc/48/98/13/813489813.db2.gz PPYDJIVOHOQXPU-ARFHVFGLSA-N 0 3 280.456 3.215 20 30 CGEDHN N#Cc1ccc2c(c1)CCN(CCc1ccc(F)cc1)C2 ZINC001207511802 813581142 /nfs/dbraw/zinc/58/11/42/813581142.db2.gz RWIWGOJXKJTULE-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN CCCCCCC/C=C/CN1CCC(NC(N)=O)CC1 ZINC001208120221 813697775 /nfs/dbraw/zinc/69/77/75/813697775.db2.gz OJCFARFSDYXDTQ-CMDGGOBGSA-N 0 3 281.444 3.036 20 30 CGEDHN C=CCCCCN1CCN(Cc2ccccc2OC)CC1 ZINC001209203323 813966907 /nfs/dbraw/zinc/96/69/07/813966907.db2.gz WPMPYIQVBODZEA-UHFFFAOYSA-N 0 3 288.435 3.169 20 30 CGEDHN C=CCCCCN1CCN(Cc2ccc(C)cc2)CC1 ZINC001209202259 813966933 /nfs/dbraw/zinc/96/69/33/813966933.db2.gz FBDQUXFFMYPERL-UHFFFAOYSA-N 0 3 272.436 3.469 20 30 CGEDHN N#C[C@H]1CCCN(CCc2ccc(F)c(F)c2)CC1 ZINC001209244219 813979384 /nfs/dbraw/zinc/97/93/84/813979384.db2.gz QYEOTVBWGOJKOS-ZDUSSCGKSA-N 0 3 264.319 3.133 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209597484 814095913 /nfs/dbraw/zinc/09/59/13/814095913.db2.gz TUTZPRQEUOSMFH-UHFFFAOYSA-N 0 3 288.782 3.342 20 30 CGEDHN CC(C)(C)c1cc(Nc2cncc(C#N)c2)ccn1 ZINC001210082944 814279258 /nfs/dbraw/zinc/27/92/58/814279258.db2.gz AYWFWUKLXMKILF-UHFFFAOYSA-N 0 3 252.321 3.389 20 30 CGEDHN F[C@H]1CNC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217779268 815960538 /nfs/dbraw/zinc/96/05/38/815960538.db2.gz CLHVEOUYDVNQTL-OVNPUMINSA-N 0 3 284.334 3.091 20 30 CGEDHN N#Cc1ccc(-c2cccc(O[C@H]3CCNC[C@H]3F)c2)cc1 ZINC001218072231 816087291 /nfs/dbraw/zinc/08/72/91/816087291.db2.gz QZJUBMHHWVJFBQ-MSOLQXFVSA-N 0 3 296.345 3.304 20 30 CGEDHN N#Cc1ccc(-c2cccc(O[C@@H]3CCNC[C@H]3F)c2)cc1 ZINC001218072234 816087802 /nfs/dbraw/zinc/08/78/02/816087802.db2.gz QZJUBMHHWVJFBQ-QZTJIDSGSA-N 0 3 296.345 3.304 20 30 CGEDHN C=C1CC[NH2+]C[C@@H]1Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001218206473 816127592 /nfs/dbraw/zinc/12/75/92/816127592.db2.gz KZNKALKDKUCPMJ-KRWDZBQOSA-N 0 3 289.375 3.015 20 30 CGEDHN CC(C)(C)c1cccc(C#N)c1O[C@@H]1CNCCC1(F)F ZINC001218454179 816221580 /nfs/dbraw/zinc/22/15/80/816221580.db2.gz OSCCOQNUVHJKPS-CYBMUJFWSA-N 0 3 294.345 3.232 20 30 CGEDHN N#Cc1c(F)cc(O[C@H]2CNCc3ccccc32)cc1F ZINC001218489826 816244823 /nfs/dbraw/zinc/24/48/23/816244823.db2.gz WDGQIVMVIKVIMQ-INIZCTEOSA-N 0 3 286.281 3.060 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NC1=CC(F)=CCC1=C ZINC001220797860 816300819 /nfs/dbraw/zinc/30/08/19/816300819.db2.gz XSBGXTQEVJQEGX-AWEZNQCLSA-N 0 3 278.371 3.264 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](CC)CCCC)C[C@@H]21 ZINC001222310532 816404950 /nfs/dbraw/zinc/40/49/50/816404950.db2.gz QDFWPVZVUQWWFB-BBWFWOEESA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCn1cc(-c2cccc(C3=NCCC3)c2)cn1 ZINC001222409319 816437339 /nfs/dbraw/zinc/43/73/39/816437339.db2.gz UVQGQDZIUSIMDY-UHFFFAOYSA-N 0 3 251.333 3.319 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CCCC)CC3)C[C@@H]21 ZINC001223446063 816630930 /nfs/dbraw/zinc/63/09/30/816630930.db2.gz GVQJEMVWMXBVRT-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224187665 816751549 /nfs/dbraw/zinc/75/15/49/816751549.db2.gz WXZSVKBHKCNTND-ZBFHGGJFSA-N 0 3 298.446 3.165 20 30 CGEDHN C#CCN1CCC(CNC(=O)[C@H](C)CCCCCC)CC1 ZINC001224921279 816910725 /nfs/dbraw/zinc/91/07/25/816910725.db2.gz PBMNGPBHZXSRCC-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCN1CCC(CNC(=O)C(C)(C)CCCCC)CC1 ZINC001225516547 817080697 /nfs/dbraw/zinc/08/06/97/817080697.db2.gz RXIVZWKELDDWSJ-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)CC ZINC001225898180 817210775 /nfs/dbraw/zinc/21/07/75/817210775.db2.gz CLOYEFXKMVTHIG-MRVWCRGKSA-N 0 3 286.847 3.192 20 30 CGEDHN CC(=O)c1cc(C#N)ccc1O[C@H]1CCCN(C(C)C)C1 ZINC001226974169 817521119 /nfs/dbraw/zinc/52/11/19/817521119.db2.gz CBHVNDVIDOXFNM-HNNXBMFYSA-N 0 3 286.375 3.012 20 30 CGEDHN C=CCN1CCC(NC(=O)CCC[C@H](C)CCC)CC1 ZINC001227562628 817672694 /nfs/dbraw/zinc/67/26/94/817672694.db2.gz VHYSWQJJPSBDGP-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231227358 818061440 /nfs/dbraw/zinc/06/14/40/818061440.db2.gz YAIGCPNRCPVABG-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN CN(Cc1ccccc1C#Cc1ccccc1)[C@@H]1CCOC1 ZINC001231578930 818127655 /nfs/dbraw/zinc/12/76/55/818127655.db2.gz UTKHDHFUKBIUDD-HXUWFJFHSA-N 0 3 291.394 3.307 20 30 CGEDHN Cc1cccc(CN2CCc3cc(C#N)ccc3C2)c1O ZINC001231591027 818132302 /nfs/dbraw/zinc/13/23/02/818132302.db2.gz QIHXMOHFGSKXBG-UHFFFAOYSA-N 0 3 278.355 3.131 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H]2CCC[C@H]2C1 ZINC001231617191 818137706 /nfs/dbraw/zinc/13/77/06/818137706.db2.gz PCGGJNJQLHVZLT-CABCVRRESA-N 0 3 270.376 3.189 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@](C)(F)CC1 ZINC001231616413 818138715 /nfs/dbraw/zinc/13/87/15/818138715.db2.gz CBCRDWHFCOOYTF-MRXNPFEDSA-N 0 3 276.355 3.281 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)C[C@@H]1C ZINC001231618580 818138757 /nfs/dbraw/zinc/13/87/57/818138757.db2.gz OHIUPFHJJZYBTQ-OLZOCXBDSA-N 0 3 258.365 3.187 20 30 CGEDHN CC(C)(C)c1cc(CN2CCC(S)CC2)ccn1 ZINC001232218292 818283299 /nfs/dbraw/zinc/28/32/99/818283299.db2.gz WEMMYMYWUUWRSK-UHFFFAOYSA-N 0 3 264.438 3.273 20 30 CGEDHN SC1CCN(Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232460356 818358108 /nfs/dbraw/zinc/35/81/08/818358108.db2.gz PNMUTTDVYRSJJV-UHFFFAOYSA-N 0 3 281.812 3.111 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234049361 818768067 /nfs/dbraw/zinc/76/80/67/818768067.db2.gz HCRWKFOVNJIPMX-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C#C[C@@H](CCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243833 818815081 /nfs/dbraw/zinc/81/50/81/818815081.db2.gz LTNNAUKXWLHVFB-ZDUSSCGKSA-N 0 3 279.355 3.077 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CC[C@@H](C)F ZINC001234518946 818872449 /nfs/dbraw/zinc/87/24/49/818872449.db2.gz YMLINLYCPXNYKV-GDBMZVCRSA-N 0 3 296.430 3.036 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234525356 818873138 /nfs/dbraw/zinc/87/31/38/818873138.db2.gz BGPHUZOXXJPMSL-SJLPKXTDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCCC ZINC001234555616 818881247 /nfs/dbraw/zinc/88/12/47/818881247.db2.gz XLQCNTIPSAUQGU-ZDUSSCGKSA-N 0 3 286.847 3.098 20 30 CGEDHN C#CC1CCN(Cc2ccc(F)c(OCC)c2)CC1 ZINC001235804139 819172837 /nfs/dbraw/zinc/17/28/37/819172837.db2.gz CEDANENXYAQSOQ-UHFFFAOYSA-N 0 3 261.340 3.070 20 30 CGEDHN N#Cc1cncc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236003061 819269194 /nfs/dbraw/zinc/26/91/94/819269194.db2.gz PIHUYEYLMKRRPB-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN N#Cc1ncncc1-c1cccc(CN2CCCCC2)c1F ZINC001236012999 819275713 /nfs/dbraw/zinc/27/57/13/819275713.db2.gz XFRIAQKRTDFBMN-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C[C@]1(CO)CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC001238080121 819927288 /nfs/dbraw/zinc/92/72/88/819927288.db2.gz LOPVARYMUJXHSH-INIZCTEOSA-N 0 3 292.810 3.196 20 30 CGEDHN CCO[C@H]1CCCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238774323 820114811 /nfs/dbraw/zinc/11/48/11/820114811.db2.gz IBOHJGAHRVBRBJ-KRWDZBQOSA-N 0 3 272.392 3.122 20 30 CGEDHN CCc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1C#N ZINC001238779020 820116578 /nfs/dbraw/zinc/11/65/78/820116578.db2.gz SLKVFERRYXOTLU-OAHLLOKOSA-N 0 3 276.330 3.352 20 30 CGEDHN CN(C)Cc1cccc(-c2ccc(Cl)c(C#N)c2)n1 ZINC001240401341 821022391 /nfs/dbraw/zinc/02/23/91/821022391.db2.gz VWCXOJMXHPNGPY-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN N#CC1(c2ccccc2-c2ccc([O-])c(F)c2)CC[NH2+]CC1 ZINC001240790009 821333256 /nfs/dbraw/zinc/33/32/56/821333256.db2.gz GDBNECKVUUNXPI-UHFFFAOYSA-N 0 3 296.345 3.343 20 30 CGEDHN N#Cc1cc(-c2cccc(CN3CCCC3)c2F)ccn1 ZINC001241199945 821634861 /nfs/dbraw/zinc/63/48/61/821634861.db2.gz IOFRCLVKYZFAJO-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN CN1CCC=C(c2ccc(C(F)(F)F)cc2CC#N)C1 ZINC001241570798 821956081 /nfs/dbraw/zinc/95/60/81/821956081.db2.gz MZGXDBZNTRDPHY-UHFFFAOYSA-N 0 3 280.293 3.490 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(F)F)c1 ZINC001339898604 936389897 /nfs/dbraw/zinc/38/98/97/936389897.db2.gz LOHHJCQCJKTLCE-LBPRGKRZSA-N 0 3 268.307 3.246 20 30 CGEDHN COC1(C(=O)C(C#N)c2cccc(F)n2)CCCCCC1 ZINC001342882875 936482605 /nfs/dbraw/zinc/48/26/05/936482605.db2.gz XZBKSTYVFAFUPF-LBPRGKRZSA-N 0 3 290.338 3.136 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001343715979 936511770 /nfs/dbraw/zinc/51/17/70/936511770.db2.gz GOAJPAOPFZVFKE-LXTVHRRPSA-N 0 3 285.391 3.203 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(C)CCC(F)(F)CC1 ZINC001344321866 936529269 /nfs/dbraw/zinc/52/92/69/936529269.db2.gz CKTAWIMPVQKQFC-LLVKDONJSA-N 0 3 295.333 3.295 20 30 CGEDHN N#CC(C(=O)C[C@H]1C=CCCC1)c1cccc(F)n1 ZINC001344622137 936540487 /nfs/dbraw/zinc/54/04/87/936540487.db2.gz QGLHDESWZJTNBS-NWDGAFQWSA-N 0 3 258.296 3.143 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(C)cc1C ZINC001345646115 936819888 /nfs/dbraw/zinc/81/98/88/936819888.db2.gz FRZQUYADLDKGCV-INIZCTEOSA-N 0 3 295.386 3.329 20 30 CGEDHN C=CCN(Cc1ccccc1F)CC1CCC(O)CC1 ZINC001347760034 936894837 /nfs/dbraw/zinc/89/48/37/936894837.db2.gz SENCVTBFVQYAKJ-UHFFFAOYSA-N 0 3 277.383 3.365 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC1CC1)c1ccccc1 ZINC001353394085 937064234 /nfs/dbraw/zinc/06/42/34/937064234.db2.gz PIKVMNGEJPNDRP-MRXNPFEDSA-N 0 3 272.392 3.113 20 30 CGEDHN C#Cc1ccc(NC[C@@H](c2ccco2)N(CC)CC)nc1 ZINC001354090994 937089288 /nfs/dbraw/zinc/08/92/88/937089288.db2.gz YQBCLNDZTMQRRM-HNNXBMFYSA-N 0 3 283.375 3.151 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001481535622 927020347 /nfs/dbraw/zinc/02/03/47/927020347.db2.gz FBGSOWRHMGQLFE-DOTOQJQBSA-N 0 3 298.446 3.452 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H](C)CC ZINC001481679804 927053092 /nfs/dbraw/zinc/05/30/92/927053092.db2.gz MXIKUQKGOHJQJH-PMPSAXMXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1cccc(C)c1 ZINC001483342786 927485996 /nfs/dbraw/zinc/48/59/96/927485996.db2.gz OAECHFTZWIABGF-MRXNPFEDSA-N 0 3 288.435 3.288 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N(CC)CC)cc1 ZINC001357326599 937170622 /nfs/dbraw/zinc/17/06/22/937170622.db2.gz MEACZPPGHQQVGD-MRXNPFEDSA-N 0 3 289.423 3.155 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001484521002 927717243 /nfs/dbraw/zinc/71/72/43/927717243.db2.gz WGCSQUYLCPJFJM-CQSZACIVSA-N 0 3 296.842 3.068 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001484940576 927774415 /nfs/dbraw/zinc/77/44/15/927774415.db2.gz FZWQEBLTUHISCN-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001485057791 927800918 /nfs/dbraw/zinc/80/09/18/927800918.db2.gz ZWQLDQZBVOSSHZ-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C#CCN(CCOc1ccc(Cl)c(F)c1)C(C)C ZINC001198026651 928269675 /nfs/dbraw/zinc/26/96/75/928269675.db2.gz HVJOTRNCCOXBGK-UHFFFAOYSA-N 0 3 269.747 3.202 20 30 CGEDHN C#CCN(C[C@H](O)c1cccc2ccccc21)C(C)C ZINC001198026235 928270152 /nfs/dbraw/zinc/27/01/52/928270152.db2.gz BMYAKRZFCDVLDX-SFHVURJKSA-N 0 3 267.372 3.217 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001488649180 928287428 /nfs/dbraw/zinc/28/74/28/928287428.db2.gz XQDPXVDMOPHVRT-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001488649176 928287517 /nfs/dbraw/zinc/28/75/17/928287517.db2.gz XQDPXVDMOPHVRT-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)C1CCCC1 ZINC001488675094 928289328 /nfs/dbraw/zinc/28/93/28/928289328.db2.gz FEPDGSPPXOGOPZ-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](CC)CCC)C1 ZINC001488870694 928303561 /nfs/dbraw/zinc/30/35/61/928303561.db2.gz VRJRMHVZZLQKBG-IHRRRGAJSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001490593845 928374488 /nfs/dbraw/zinc/37/44/88/928374488.db2.gz ACTZXCXWZPFAGT-FCIQKIPGSA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H](C)C2CCC2)CC1 ZINC001490617793 928377719 /nfs/dbraw/zinc/37/77/19/928377719.db2.gz QQBQPRXJJAQREN-HNNXBMFYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCc1cccc(F)c1 ZINC001491547905 928874865 /nfs/dbraw/zinc/87/48/65/928874865.db2.gz LMGPTBRKNDRJLT-ZDUSSCGKSA-N 0 3 292.398 3.022 20 30 CGEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)cc1Cl ZINC001460136517 937517525 /nfs/dbraw/zinc/51/75/25/937517525.db2.gz CNDXAMQTBMELKV-HNNXBMFYSA-N 0 3 291.826 3.128 20 30 CGEDHN N#Cc1sccc1N1CCN(CC2CCCCC2)CC1 ZINC001460412027 937530861 /nfs/dbraw/zinc/53/08/61/937530861.db2.gz BDAMMCOJYRZCCC-UHFFFAOYSA-N 0 3 289.448 3.322 20 30 CGEDHN C#C[C@H](C)Oc1cccc(C2(C(=O)CC)CCN(C)CC2)c1 ZINC001229734491 932476322 /nfs/dbraw/zinc/47/63/22/932476322.db2.gz XLWXMXYDIGFFKA-HNNXBMFYSA-N 0 3 299.414 3.030 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001230638889 932603266 /nfs/dbraw/zinc/60/32/66/932603266.db2.gz RARYZADCDXRQNH-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001230703749 932611168 /nfs/dbraw/zinc/61/11/68/932611168.db2.gz ZPWPAZPEWUKJSJ-UKRRQHHQSA-N 0 3 290.407 3.089 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230738691 932617201 /nfs/dbraw/zinc/61/72/01/932617201.db2.gz ISZWRWREDYGEEZ-OAHLLOKOSA-N 0 3 291.439 3.131 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230738690 932617612 /nfs/dbraw/zinc/61/76/12/932617612.db2.gz ISZWRWREDYGEEZ-HNNXBMFYSA-N 0 3 291.439 3.131 20 30 CGEDHN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nncc2n[nH]cc21 ZINC001230899794 932639105 /nfs/dbraw/zinc/63/91/05/932639105.db2.gz AASLLXVYTOHKOQ-COPLHBTASA-N 0 3 272.352 3.113 20 30 CGEDHN C#C[C@H](NCc1cc2ccc(F)cc2[nH]c1=O)C(C)(C)C ZINC001462293620 937630217 /nfs/dbraw/zinc/63/02/17/937630217.db2.gz HBJGIXCCQYTHQU-HNNXBMFYSA-N 0 3 286.350 3.217 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1CC=CC1 ZINC001492144641 932806699 /nfs/dbraw/zinc/80/66/99/932806699.db2.gz YVLCJHIQFHAPKS-OAHLLOKOSA-N 0 3 296.842 3.066 20 30 CGEDHN COc1cc(C)c(C[NH2+]CC(C)(C)CCC#N)c([O-])c1 ZINC001462308999 937631095 /nfs/dbraw/zinc/63/10/95/937631095.db2.gz SDKNMKSJSCSQAB-UHFFFAOYSA-N 0 3 276.380 3.129 20 30 CGEDHN C#Cc1cccc(CNCc2cc(C)nc(Cl)c2)c1 ZINC001462349396 937634612 /nfs/dbraw/zinc/63/46/12/937634612.db2.gz RGQSTIXPSDEJAX-UHFFFAOYSA-N 0 3 270.763 3.315 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C)c(C)c1 ZINC001317412753 932868515 /nfs/dbraw/zinc/86/85/15/932868515.db2.gz PKBXATRKHPSGCV-CQSZACIVSA-N 0 3 294.826 3.154 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C)c(OC)n2)C1 ZINC001462416868 937639313 /nfs/dbraw/zinc/63/93/13/937639313.db2.gz SZOUBLCIKIYZKW-AWEZNQCLSA-N 0 3 260.381 3.187 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2cc(F)ccc2C)CC1 ZINC001307456699 932954696 /nfs/dbraw/zinc/95/46/96/932954696.db2.gz OERHETXJLLOBRU-UHFFFAOYSA-N 0 3 276.355 3.115 20 30 CGEDHN C#C[C@H](NCCSc1cccc(Cl)c1)[C@H]1CCCO1 ZINC001307703436 932989649 /nfs/dbraw/zinc/98/96/49/932989649.db2.gz TYHXAUMKRVSIFG-LSDHHAIUSA-N 0 3 295.835 3.203 20 30 CGEDHN C=CCCCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001307794771 933001779 /nfs/dbraw/zinc/00/17/79/933001779.db2.gz VYIVEZJGIKNQMA-GASCZTMLSA-N 0 3 280.456 3.310 20 30 CGEDHN C=CCN(C[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H](C)COC ZINC001307925077 933022590 /nfs/dbraw/zinc/02/25/90/933022590.db2.gz WZZSLEZRBPZFPP-RYQLBKOJSA-N 0 3 289.419 3.430 20 30 CGEDHN C#Cc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC001308409957 933106460 /nfs/dbraw/zinc/10/64/60/933106460.db2.gz ISCYMFCGXQVHEY-CQSZACIVSA-N 0 3 277.367 3.281 20 30 CGEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=C)Cl ZINC001316874582 933490536 /nfs/dbraw/zinc/49/05/36/933490536.db2.gz SYSUUEBGGVIREY-ZIAGYGMSSA-N 0 3 284.831 3.064 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)CC=C)c1ccccc1 ZINC001317725749 933638571 /nfs/dbraw/zinc/63/85/71/933638571.db2.gz XNRXIRDTWMJBJK-INIZCTEOSA-N 0 3 286.419 3.222 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCCCC)C1 ZINC001317950636 933667903 /nfs/dbraw/zinc/66/79/03/933667903.db2.gz VALLFUXSAXXCEO-OAHLLOKOSA-N 0 3 266.429 3.114 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001318224928 933699134 /nfs/dbraw/zinc/69/91/34/933699134.db2.gz SYPRYHJOXXDLEK-SZMVWBNQSA-N 0 3 298.430 3.248 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)CCC)CCCC1 ZINC001319343195 933860848 /nfs/dbraw/zinc/86/08/48/933860848.db2.gz ZHPRKOHWYNATQR-GFCCVEGCSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC001320018085 933979084 /nfs/dbraw/zinc/97/90/84/933979084.db2.gz BFAODQLERBZXHM-UHFFFAOYSA-N 0 3 299.418 3.056 20 30 CGEDHN C=CCO[C@@H]1CCN(CCc2ccccc2Cl)C1 ZINC001320038409 933985439 /nfs/dbraw/zinc/98/54/39/933985439.db2.gz RRBJXNLWHNQDRG-CQSZACIVSA-N 0 3 265.784 3.159 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CC)c1ccc(F)cc1 ZINC001320325245 934032521 /nfs/dbraw/zinc/03/25/21/934032521.db2.gz OYZBLWUCBLKPKO-INIZCTEOSA-N 0 3 292.398 3.291 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001320429908 934047549 /nfs/dbraw/zinc/04/75/49/934047549.db2.gz ILIYITPYVXYKNM-CABCVRRESA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(C)cccc1C ZINC001320557714 934064318 /nfs/dbraw/zinc/06/43/18/934064318.db2.gz SKBZTTMYPKIAJG-AWEZNQCLSA-N 0 3 294.826 3.154 20 30 CGEDHN C=CC[C@@H](NCc1cccc(C(=O)OC)c1)c1ccncc1 ZINC001321117923 934152162 /nfs/dbraw/zinc/15/21/62/934152162.db2.gz KSFPWKDIUHKNNQ-QGZVFWFLSA-N 0 3 296.370 3.275 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001323213482 934372917 /nfs/dbraw/zinc/37/29/17/934372917.db2.gz CVGDYXVOADBELJ-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001323227994 934374936 /nfs/dbraw/zinc/37/49/36/934374936.db2.gz VEEXLQIYJMLEEA-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001323232267 934376078 /nfs/dbraw/zinc/37/60/78/934376078.db2.gz PFZLPMLMFUICBE-NWDGAFQWSA-N 0 3 296.798 3.092 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001323272256 934378637 /nfs/dbraw/zinc/37/86/37/934378637.db2.gz GWYJLWYSEPPVPZ-SOLBZPMBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001324022247 934449441 /nfs/dbraw/zinc/44/94/41/934449441.db2.gz PLPVCVBXWWOYGA-SUMWQHHRSA-N 0 3 259.393 3.417 20 30 CGEDHN C#CCN(Cc1cc2cc(Cl)cnc2o1)CC1CC1 ZINC001324363941 934493348 /nfs/dbraw/zinc/49/33/48/934493348.db2.gz IBVHRELLRMFIPV-UHFFFAOYSA-N 0 3 274.751 3.326 20 30 CGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](C)CCCCCC)C1 ZINC001324657922 934542648 /nfs/dbraw/zinc/54/26/48/934542648.db2.gz UPOCDCCTZFCPMK-WMZOPIPTSA-N 0 3 292.467 3.197 20 30 CGEDHN CC1(C)CC(CN2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC001473241016 937798570 /nfs/dbraw/zinc/79/85/70/937798570.db2.gz SBPFYDBEVPBDHR-SFHVURJKSA-N 0 3 297.446 3.305 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2CC[C@@H](C3CC3)O2)C2CC2)cc1 ZINC001473304932 937801213 /nfs/dbraw/zinc/80/12/13/937801213.db2.gz TYHYNDMFDDCIMP-OALUTQOASA-N 0 3 296.414 3.480 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCc2ccc(C(C)C)cc2C1 ZINC001473624447 937814108 /nfs/dbraw/zinc/81/41/08/937814108.db2.gz ZHOMIFBBKPSAGC-QGZVFWFLSA-N 0 3 259.393 3.105 20 30 CGEDHN C=CC[C@H]1CCCN(CN2CC[C@@H](c3ccccc3)C2=O)C1 ZINC001327701749 935079860 /nfs/dbraw/zinc/07/98/60/935079860.db2.gz ZHZVBAKWGZEZDZ-WMZOPIPTSA-N 0 3 298.430 3.248 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001328998363 935178420 /nfs/dbraw/zinc/17/84/20/935178420.db2.gz SXTUBXSGWFXGCS-KGLIPLIRSA-N 0 3 292.398 3.083 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(C)(C)CC ZINC001329327931 935206114 /nfs/dbraw/zinc/20/61/14/935206114.db2.gz KSMSCAROODPLEC-UHFFFAOYSA-N 0 3 288.863 3.249 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001329592033 935230881 /nfs/dbraw/zinc/23/08/81/935230881.db2.gz KKXBVNXQWCYGDB-AWEZNQCLSA-N 0 3 286.419 3.190 20 30 CGEDHN C#CCCCCCC(=O)N[C@@H]1CCCN(CC(=C)C)[C@H]1C ZINC001332197556 935448326 /nfs/dbraw/zinc/44/83/26/935448326.db2.gz CPMXWIMYSFUQGM-DLBZAZTESA-N 0 3 290.451 3.115 20 30 CGEDHN C=CCC1(O)CCN(c2c(C)cnc3ccccc32)CC1 ZINC001332305534 935457856 /nfs/dbraw/zinc/45/78/56/935457856.db2.gz OXKNEAOETRCVKX-UHFFFAOYSA-N 0 3 282.387 3.451 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001332523398 935474931 /nfs/dbraw/zinc/47/49/31/935474931.db2.gz QAAPOXYANLWTRG-GJZGRUSLSA-N 0 3 299.374 3.479 20 30 CGEDHN C[C@@H](COc1ccccc1F)N[C@@H](C)c1cc(C#N)ccn1 ZINC001333150889 935514258 /nfs/dbraw/zinc/51/42/58/935514258.db2.gz UBQQGMRNVGHDCE-STQMWFEESA-N 0 3 299.349 3.210 20 30 CGEDHN C#Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC001336640674 936202201 /nfs/dbraw/zinc/20/22/01/936202201.db2.gz CAXAJGZVNWJYHM-KRWDZBQOSA-N 0 3 282.387 3.013 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC001338111485 936305870 /nfs/dbraw/zinc/30/58/70/936305870.db2.gz CIYXFBNNWUPLJK-DZGCQCFKSA-N 0 3 263.381 3.325 20 30 CGEDHN C=CCCC[C@@H](N[C@@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC001473759855 937821050 /nfs/dbraw/zinc/82/10/50/937821050.db2.gz QFKVERXEVKDPMO-QZTJIDSGSA-N 0 3 298.430 3.461 20 30 CGEDHN C#Cc1cccc(CNCc2cc(F)cc(OCC)c2)c1 ZINC001474179037 937842953 /nfs/dbraw/zinc/84/29/53/937842953.db2.gz ZHEYZJFZPVIRQT-UHFFFAOYSA-N 0 3 283.346 3.496 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@H]1CCCC12CC2 ZINC001474657069 937873146 /nfs/dbraw/zinc/87/31/46/937873146.db2.gz UGWYEUKRAMYTQE-CYBMUJFWSA-N 0 3 258.340 3.367 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1cc2ccccc2[nH]c1=O ZINC001474758888 937879299 /nfs/dbraw/zinc/87/92/99/937879299.db2.gz USBIOJREGOFOEP-GFCCVEGCSA-N 0 3 283.375 3.358 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)CCC)C1 ZINC001479439746 937920834 /nfs/dbraw/zinc/92/08/34/937920834.db2.gz PSBZSYYLKGOZQC-KWCYVHTRSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)CCC)C1 ZINC001479439745 937920850 /nfs/dbraw/zinc/92/08/50/937920850.db2.gz PSBZSYYLKGOZQC-FPMFFAJLSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC2(C)CCCC2)[C@H]1CC ZINC001479633901 937923381 /nfs/dbraw/zinc/92/33/81/937923381.db2.gz JWCDBIMOXJNIRU-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001479965758 937930361 /nfs/dbraw/zinc/93/03/61/937930361.db2.gz NDRXQDOBSJAFHL-HZPDHXFCSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1=CCCC1 ZINC001480821356 937944857 /nfs/dbraw/zinc/94/48/57/937944857.db2.gz WJEHGKHDMZXTLO-OAHLLOKOSA-N 0 3 296.842 3.210 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)/C(C)=C\CC)C1 ZINC001493939241 937952325 /nfs/dbraw/zinc/95/23/25/937952325.db2.gz KOPSGIBCAHHCNY-YMDFIQGPSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001494651453 937955345 /nfs/dbraw/zinc/95/53/45/937955345.db2.gz ADANJJFXJTUNHU-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCC1(C)C)C1CC1 ZINC001495282003 937958602 /nfs/dbraw/zinc/95/86/02/937958602.db2.gz VPOBUDPSASQFSO-BBRMVZONSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001495336719 937958837 /nfs/dbraw/zinc/95/88/37/937958837.db2.gz CGQVVKCJBVLKNE-GXTWGEPZSA-N 0 3 286.847 3.003 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)/C=C/C(C)(C)C)cc1 ZINC001501672451 937980211 /nfs/dbraw/zinc/98/02/11/937980211.db2.gz FGCOAQBWEDUBAX-RUMSDORHSA-N 0 3 298.430 3.189 20 30 CGEDHN C=CCN(C)CCN(C(=O)C[C@H]1CC=CCC1)C(C)C ZINC001507823463 937996795 /nfs/dbraw/zinc/99/67/95/937996795.db2.gz SYEOZOIAQXWAPF-INIZCTEOSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)C(C)C ZINC001507826378 937996906 /nfs/dbraw/zinc/99/69/06/937996906.db2.gz ZMELMTZKTFBWKN-IRXDYDNUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC001521671162 938033521 /nfs/dbraw/zinc/03/35/21/938033521.db2.gz CEUPEQXJRSCVEO-QWRGUYRKSA-N 0 3 294.361 3.153 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1ccsc1C(F)F ZINC001526588043 938056357 /nfs/dbraw/zinc/05/63/57/938056357.db2.gz VTLKKEOELVDJID-VIFPVBQESA-N 0 3 295.314 3.392 20 30 CGEDHN CCCCCCCCC(=O)NC[C@@H]1CCCCN1C ZINC001537276143 938109162 /nfs/dbraw/zinc/10/91/62/938109162.db2.gz BXDSEJJOSWGSDU-HNNXBMFYSA-N 0 3 268.445 3.338 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001556466801 938203871 /nfs/dbraw/zinc/20/38/71/938203871.db2.gz NGNYEHCZRYWGJG-WKILWMFISA-N 0 3 280.456 3.169 20 30 CGEDHN C=C1CCC(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001558261257 938214287 /nfs/dbraw/zinc/21/42/87/938214287.db2.gz WWCJGFZYNTYIEG-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN CCCCCCCCCN1C[C@@H](C)O[C@@H](COC)C1 ZINC001559762774 938234903 /nfs/dbraw/zinc/23/49/03/938234903.db2.gz UEBSUXFFVUWRSI-HZPDHXFCSA-N 0 3 271.445 3.473 20 30 CGEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC001559983707 938240898 /nfs/dbraw/zinc/24/08/98/938240898.db2.gz ZHUZAAUUARZFBZ-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN CC#CCN([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC001560045881 938242572 /nfs/dbraw/zinc/24/25/72/938242572.db2.gz VGCJUFAOMDDLLV-YOEHRIQHSA-N 0 3 257.377 3.034 20 30 CGEDHN C=C(CC)CN1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001560140223 938245009 /nfs/dbraw/zinc/24/50/09/938245009.db2.gz OWMHIHIYHHJRDA-CYBMUJFWSA-N 0 3 282.428 3.188 20 30 CGEDHN C#CC1(NCc2ccc(Cl)c(OC)c2)CCCC1 ZINC001560569520 938263329 /nfs/dbraw/zinc/26/33/29/938263329.db2.gz XMXFVIGGRMOWJV-UHFFFAOYSA-N 0 3 263.768 3.384 20 30 CGEDHN C=CC1CCN(Cc2c(C)nc3scc(C)n23)CC1 ZINC001560630991 938266757 /nfs/dbraw/zinc/26/67/57/938266757.db2.gz SDZKELLQEWIRHR-UHFFFAOYSA-N 0 3 275.421 3.411 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc2c1OCC2 ZINC001560710068 938271638 /nfs/dbraw/zinc/27/16/38/938271638.db2.gz YRBRHHIFMDPJCE-UHFFFAOYSA-N 0 3 283.371 3.445 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230607854 957847994 /nfs/dbraw/zinc/84/79/94/957847994.db2.gz HNNDHPMVEDXTSS-MRXNPFEDSA-N 0 3 280.456 3.290 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC001574902782 960465568 /nfs/dbraw/zinc/46/55/68/960465568.db2.gz GVLPBNJAOAAJDW-JKSUJKDBSA-N 0 3 278.440 3.145 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001565822124 960830141 /nfs/dbraw/zinc/83/01/41/960830141.db2.gz YPYWGWUNSOASTO-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CCC)CC(C)C)[C@H]1C ZINC001566114901 960882527 /nfs/dbraw/zinc/88/25/27/960882527.db2.gz ANVAYIYGCHUDRA-ZACQAIPSSA-N 0 3 292.467 3.051 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCN(C)[C@@H](C)c1ccccc1 ZINC001567284258 961264252 /nfs/dbraw/zinc/26/42/52/961264252.db2.gz ZYYXEJCBWBDQDT-HNNXBMFYSA-N 0 3 288.435 3.398 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001567379100 961314132 /nfs/dbraw/zinc/31/41/32/961314132.db2.gz NZMMTNLTTCHXBO-ZFWWWQNUSA-N 0 3 292.448 3.008 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001567861159 961443423 /nfs/dbraw/zinc/44/34/23/961443423.db2.gz LNCCPGWVJZBGDE-BQFCYCMXSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCCCCF)C2)CCC1 ZINC001567895907 961449934 /nfs/dbraw/zinc/44/99/34/961449934.db2.gz YUMZWMPUWXOCHQ-OAHLLOKOSA-N 0 3 296.430 3.063 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001567874170 961454121 /nfs/dbraw/zinc/45/41/21/961454121.db2.gz NNSHJYIBUJRKTD-KRWDZBQOSA-N 0 3 286.419 3.042 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001568506428 961609224 /nfs/dbraw/zinc/60/92/24/961609224.db2.gz JFENTSZDELZUFH-HNNXBMFYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCC[C@@H]1C ZINC001569234277 961723032 /nfs/dbraw/zinc/72/30/32/961723032.db2.gz LEZHHFXVOVQQEB-JSGCOSHPSA-N 0 3 286.847 3.003 20 30 CGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001569711363 961827477 /nfs/dbraw/zinc/82/74/77/961827477.db2.gz BETCKDGFZPWBIP-FUHWJXTLSA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)/C(C)=C\CC)cc1 ZINC001570030016 961880090 /nfs/dbraw/zinc/88/00/90/961880090.db2.gz MEGIIUXANMIWNA-YMDFIQGPSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1CCC2(CC2)CC1 ZINC001570536944 961992272 /nfs/dbraw/zinc/99/22/72/961992272.db2.gz VYICJIVBVNKNGP-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571241251 962125738 /nfs/dbraw/zinc/12/57/38/962125738.db2.gz WHHLXODVNATBHQ-KBXIAJHMSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCNCC(=C)Cl ZINC001571291539 962128590 /nfs/dbraw/zinc/12/85/90/962128590.db2.gz DPHOABMRRNGBCS-ZDUSSCGKSA-N 0 3 286.847 3.216 20 30 CGEDHN C=CCC[C@@H]1CCC[N@H+]1Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001573335030 962242890 /nfs/dbraw/zinc/24/28/90/962242890.db2.gz VGAYLPDRQGNYIP-OAHLLOKOSA-N 0 3 297.406 3.106 20 30 CGEDHN C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001573335030 962242924 /nfs/dbraw/zinc/24/29/24/962242924.db2.gz VGAYLPDRQGNYIP-OAHLLOKOSA-N 0 3 297.406 3.106 20 30 CGEDHN C=CCC[C@@H]1CCC[N@H+]1Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573335030 962242940 /nfs/dbraw/zinc/24/29/40/962242940.db2.gz VGAYLPDRQGNYIP-OAHLLOKOSA-N 0 3 297.406 3.106 20 30 CGEDHN C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573335030 962242957 /nfs/dbraw/zinc/24/29/57/962242957.db2.gz VGAYLPDRQGNYIP-OAHLLOKOSA-N 0 3 297.406 3.106 20 30 CGEDHN CC(C)[C@H](N)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001573531341 962264110 /nfs/dbraw/zinc/26/41/10/962264110.db2.gz ODXMAAHIKAIWQG-SFHVURJKSA-N 0 3 292.382 3.008 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC[C@H](c1ccccc1)C(C)C ZINC001574903234 962329659 /nfs/dbraw/zinc/32/96/59/962329659.db2.gz NCYNTTAQRCROSB-IRXDYDNUSA-N 0 3 288.435 3.226 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC001574901307 962330398 /nfs/dbraw/zinc/33/03/98/962330398.db2.gz GTCHOEQLAKQHKN-WMLDXEAASA-N 0 3 286.419 3.422 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC001574901500 962330740 /nfs/dbraw/zinc/33/07/40/962330740.db2.gz KLNAQNAUMOCIRR-CVEARBPZSA-N 0 3 286.419 3.280 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@]1(C)CCCc2ccccc21 ZINC001574902565 962334016 /nfs/dbraw/zinc/33/40/16/962334016.db2.gz CKGIEHUCSLDXST-SJLPKXTDSA-N 0 3 286.419 3.038 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CCC)Cc1ccccc1 ZINC001574901468 962334868 /nfs/dbraw/zinc/33/48/68/962334868.db2.gz IUUIESPDYRPIFR-INIZCTEOSA-N 0 3 274.408 3.109 20 30 CGEDHN CC(C)[C@H](C)N(C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC001575417885 962373619 /nfs/dbraw/zinc/37/36/19/962373619.db2.gz JBDSQMMMWQLNMU-GOEBONIOSA-N 0 3 287.407 3.085 20 30 CGEDHN CCSCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000337406756 214061583 /nfs/dbraw/zinc/06/15/83/214061583.db2.gz LZBFLLYWHMBOAK-LLVKDONJSA-N 0 3 266.385 3.491 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000590601897 346854148 /nfs/dbraw/zinc/85/41/48/346854148.db2.gz SOUATPXGUWFQAY-KRWDZBQOSA-N 0 3 277.371 3.333 20 30 CGEDHN COc1cccc2c1CN(CC(C)(C)CCC#N)CC2 ZINC000590660564 346860515 /nfs/dbraw/zinc/86/05/15/346860515.db2.gz LFGDZVMUKGEYDA-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000590761958 346872790 /nfs/dbraw/zinc/87/27/90/346872790.db2.gz HCYODAIYBPYDMN-SJORKVTESA-N 0 3 284.403 3.256 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](C3CCC3)C2)cc1F ZINC000591063384 346898245 /nfs/dbraw/zinc/89/82/45/346898245.db2.gz SRUCUFQKWJTVON-OAHLLOKOSA-N 0 3 258.340 3.319 20 30 CGEDHN CC[C@H](NCCC(C)(C)C#N)c1c(C)nn(C)c1C ZINC000347188009 529595262 /nfs/dbraw/zinc/59/52/62/529595262.db2.gz DTLRUWGDSRIDIO-ZDUSSCGKSA-N 0 3 262.401 3.018 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000347062674 529656884 /nfs/dbraw/zinc/65/68/84/529656884.db2.gz GLKKQVGUMLBIIH-BXKDBHETSA-N 0 3 250.729 3.067 20 30 CGEDHN CC[C@H](NCc1ccnc(OC)c1)c1ccc(C#N)cc1 ZINC000447541462 529633484 /nfs/dbraw/zinc/63/34/84/529633484.db2.gz MFLOPMPCBHTKJU-INIZCTEOSA-N 0 3 281.359 3.203 20 30 CGEDHN N#Cc1ccccc1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000349790865 136377667 /nfs/dbraw/zinc/37/76/67/136377667.db2.gz OENDAAIOHHRZRX-MRXNPFEDSA-N 0 3 281.403 3.037 20 30 CGEDHN C=CC(C)(C)CCNCc1cc(C(F)(F)F)nn1C ZINC000623593054 349843655 /nfs/dbraw/zinc/84/36/55/349843655.db2.gz REHWTZNUFMYYCX-UHFFFAOYSA-N 0 3 275.318 3.131 20 30 CGEDHN CN1CC[C@H](NCc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000366989016 529806606 /nfs/dbraw/zinc/80/66/06/529806606.db2.gz VQNFAQCWGJVNAM-OALUTQOASA-N 0 3 291.398 3.093 20 30 CGEDHN CC(C)[C@H](Cc1ccc(F)cc1)NCc1ccncc1C#N ZINC000592098305 346962139 /nfs/dbraw/zinc/96/21/39/346962139.db2.gz OJPYEIFBGKQNTP-SFHVURJKSA-N 0 3 297.377 3.449 20 30 CGEDHN C=CCCn1cc(CN[C@@H](CC)CCc2ccccc2)nn1 ZINC000623623880 349851054 /nfs/dbraw/zinc/85/10/54/349851054.db2.gz JPYJZZXNIJIYTD-KRWDZBQOSA-N 0 3 298.434 3.355 20 30 CGEDHN N#Cc1cccc(NC(=O)CN2CCCC[C@H]2C2CCC2)c1 ZINC000592197795 346971373 /nfs/dbraw/zinc/97/13/73/346971373.db2.gz KIFJSLKKTADUHB-KRWDZBQOSA-N 0 3 297.402 3.151 20 30 CGEDHN C[C@H](NCC(C)(C)CCC#N)c1cc2n(n1)CCCC2 ZINC000592390054 346981712 /nfs/dbraw/zinc/98/17/12/346981712.db2.gz IYJMEAXCFPFBHK-ZDUSSCGKSA-N 0 3 274.412 3.200 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623856262 349897158 /nfs/dbraw/zinc/89/71/58/349897158.db2.gz QLWNIJAUCFBJPO-GDBMZVCRSA-N 0 3 293.455 3.047 20 30 CGEDHN C[C@]1(c2cccc(F)c2)CCN(CCCCC#N)C1 ZINC000593046856 347032017 /nfs/dbraw/zinc/03/20/17/347032017.db2.gz UFAOCBODKBLRBW-INIZCTEOSA-N 0 3 260.356 3.483 20 30 CGEDHN C[C@H]1CN(Cc2ccnc(C#N)c2)CCc2ccc(F)cc21 ZINC000593116297 347041376 /nfs/dbraw/zinc/04/13/76/347041376.db2.gz JSSWXCNPWVRODQ-ZDUSSCGKSA-N 0 3 295.361 3.254 20 30 CGEDHN C[C@@H](N[C@@H](C)COCC1CC1)c1cccc(C#N)c1 ZINC000593183403 347049052 /nfs/dbraw/zinc/04/90/52/347049052.db2.gz WBBFUJYHFVYBTC-QWHCGFSZSA-N 0 3 258.365 3.024 20 30 CGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)CC1CC1 ZINC000437400750 529984123 /nfs/dbraw/zinc/98/41/23/529984123.db2.gz PELZHLWOIOTDQC-UHFFFAOYSA-N 0 3 266.291 3.001 20 30 CGEDHN CC(C)N(CCOc1ccc(C#N)cc1)Cc1ccccn1 ZINC000048273034 345064225 /nfs/dbraw/zinc/06/42/25/345064225.db2.gz IBKCWBSJMNVJFW-UHFFFAOYSA-N 0 3 295.386 3.243 20 30 CGEDHN N#CCCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401090 345320648 /nfs/dbraw/zinc/32/06/48/345320648.db2.gz TWIUHTAHCKKDPQ-INIZCTEOSA-N 0 3 292.810 3.389 20 30 CGEDHN CN(CCNc1cccc(F)c1C#N)Cc1ccccc1 ZINC000064916308 345266649 /nfs/dbraw/zinc/26/66/49/345266649.db2.gz CYPGLZUIXKLPKZ-UHFFFAOYSA-N 0 3 283.350 3.241 20 30 CGEDHN CC(C)[C@H](C)N1Cc2cccc(N[C@@H](C)C#N)c2C1 ZINC000069165382 260259907 /nfs/dbraw/zinc/25/99/07/260259907.db2.gz VOZPHDKSBAHGPE-STQMWFEESA-N 0 3 257.381 3.371 20 30 CGEDHN N#Cc1ccc2nc(NC3CCN(C4CC4)CC3)ccc2c1 ZINC000092886830 345861397 /nfs/dbraw/zinc/86/13/97/345861397.db2.gz UJSHCUCXDQCVRQ-UHFFFAOYSA-N 0 3 292.386 3.145 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@H](c2cccs2)N(C)C)n1 ZINC000127505686 187312057 /nfs/dbraw/zinc/31/20/57/187312057.db2.gz NEPJNFFOYIUSRE-CYBMUJFWSA-N 0 3 286.404 3.038 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCC(C)C)CC1 ZINC000106275338 345930798 /nfs/dbraw/zinc/93/07/98/345930798.db2.gz QOMWSNIRVWMNDI-OAHLLOKOSA-N 0 3 295.471 3.151 20 30 CGEDHN CN(Cc1ccc(C#N)cc1F)C1Cc2ccccc2C1 ZINC000141186897 346107755 /nfs/dbraw/zinc/10/77/55/346107755.db2.gz TWPJAUTXTKSUPX-UHFFFAOYSA-N 0 3 280.346 3.297 20 30 CGEDHN CC/C=C/CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000295129127 199361135 /nfs/dbraw/zinc/36/11/35/199361135.db2.gz YFTSCCPKTLQNCQ-SNAWJCMRSA-N 0 3 280.375 3.015 20 30 CGEDHN Cc1nn(-c2cccc(C)c2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000593640727 347098204 /nfs/dbraw/zinc/09/82/04/347098204.db2.gz QVPNDJHSTCFGJE-DOTOQJQBSA-N 0 3 294.402 3.271 20 30 CGEDHN C[C@@H](CCc1ccc(O)cc1)NCC1(C#N)CCCC1 ZINC000593653404 347100076 /nfs/dbraw/zinc/10/00/76/347100076.db2.gz JVHABXPJYAUMGI-AWEZNQCLSA-N 0 3 272.392 3.387 20 30 CGEDHN N#CC1(CN[C@H]2Cc3[nH]c4ccccc4c3C2)CCCC1 ZINC000593654527 347101402 /nfs/dbraw/zinc/10/14/02/347101402.db2.gz FSDYMWPWKXWIJX-CYBMUJFWSA-N 0 3 279.387 3.309 20 30 CGEDHN CCCCCCCCCN1CCC[C@H](NC(C)=O)C1 ZINC000584590866 346685379 /nfs/dbraw/zinc/68/53/79/346685379.db2.gz GDIGOARUSWQFGA-INIZCTEOSA-N 0 3 268.445 3.338 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)CN(C)CC(C)(C)C ZINC000588901683 346773413 /nfs/dbraw/zinc/77/34/13/346773413.db2.gz WGQHXOUHCLDCCW-UHFFFAOYSA-N 0 3 294.464 3.241 20 30 CGEDHN CC(C)(CCC#N)CNCc1nc2c(s1)CCC2 ZINC000588929538 346776411 /nfs/dbraw/zinc/77/64/11/346776411.db2.gz LATMWVUNZVPEPJ-UHFFFAOYSA-N 0 3 263.410 3.051 20 30 CGEDHN C[C@@H](N[C@@H](C)COCC1CC1)c1ccc(C#N)cc1F ZINC000593718134 347107671 /nfs/dbraw/zinc/10/76/71/347107671.db2.gz LJBRVPIIESMSPX-NWDGAFQWSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1ccc(C(=O)OCC)o1 ZINC000589198108 346789822 /nfs/dbraw/zinc/78/98/22/346789822.db2.gz ULDZTPORQLDTSV-NEPJUHHUSA-N 0 3 265.353 3.147 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594021927 347138107 /nfs/dbraw/zinc/13/81/07/347138107.db2.gz ZVUQKKMZVRZGBB-GOSISDBHSA-N 0 3 284.403 3.286 20 30 CGEDHN N#Cc1ccc(C2(NCCOCC(F)(F)F)CCC2)cc1 ZINC000594032174 347140184 /nfs/dbraw/zinc/14/01/84/347140184.db2.gz RESPAPGCHRTKHM-UHFFFAOYSA-N 0 3 298.308 3.106 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)s1)[C@@H]1CCCCO1 ZINC000594042613 347143386 /nfs/dbraw/zinc/14/33/86/347143386.db2.gz LUGDRRIYIYVWDX-KBPBESRZSA-N 0 3 264.394 3.057 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCCC3)O2)c(F)c1 ZINC000594523939 347189688 /nfs/dbraw/zinc/18/96/88/347189688.db2.gz WDIYUVBRPKCONB-OAHLLOKOSA-N 0 3 288.366 3.279 20 30 CGEDHN N#Cc1c(F)cccc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594604352 347201201 /nfs/dbraw/zinc/20/12/01/347201201.db2.gz YOKALNZERDNBQQ-HOTGVXAUSA-N 0 3 273.355 3.126 20 30 CGEDHN Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594426066 347173927 /nfs/dbraw/zinc/17/39/27/347173927.db2.gz CIZGMNBXKOFERR-SJORKVTESA-N 0 3 299.418 3.070 20 30 CGEDHN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594427322 347174043 /nfs/dbraw/zinc/17/40/43/347174043.db2.gz IITRYDADYMFRRT-QLFBSQMISA-N 0 3 293.455 3.119 20 30 CGEDHN CC(C)CC1(CNC(=O)[C@@H](N)CCCCC#N)CCCC1 ZINC000594432499 347174843 /nfs/dbraw/zinc/17/48/43/347174843.db2.gz BMFPYKKQGSYXIZ-HNNXBMFYSA-N 0 3 293.455 3.120 20 30 CGEDHN C[C@H]1CC[C@@H](NCc2ccc(C#N)cc2F)CS1 ZINC000594494512 347177962 /nfs/dbraw/zinc/17/79/62/347177962.db2.gz GXQHGKRTDSOOQV-GXFFZTMASA-N 0 3 264.369 3.071 20 30 CGEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCCO1 ZINC000594516212 347186265 /nfs/dbraw/zinc/18/62/65/347186265.db2.gz BVQZYXADNRXELB-CJNGLKHVSA-N 0 3 270.376 3.095 20 30 CGEDHN COC(=O)c1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000594521450 347189186 /nfs/dbraw/zinc/18/91/86/347189186.db2.gz RJTNHOYDSWVZHV-MJEQTWJJSA-N 0 3 298.386 3.132 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)[C@@H]1CCCCO1 ZINC000594521142 347189217 /nfs/dbraw/zinc/18/92/17/347189217.db2.gz RWRJTXFFWDLRJJ-HOTGVXAUSA-N 0 3 288.391 3.004 20 30 CGEDHN CC1(C)[C@H](CNCc2cc(C#N)cs2)C1(F)F ZINC000594991218 347250203 /nfs/dbraw/zinc/25/02/03/347250203.db2.gz GHDTVQHUDYUEEM-JTQLQIEISA-N 0 3 256.321 3.001 20 30 CGEDHN CC1(C)[C@H](CNCc2ccc(C#N)c(F)c2)C1(F)F ZINC000594992759 347251482 /nfs/dbraw/zinc/25/14/82/347251482.db2.gz XCVBNTRIISNUAB-LBPRGKRZSA-N 0 3 268.282 3.078 20 30 CGEDHN COc1ccc(CNC[C@H](C)c2c(C)noc2C)cc1C#N ZINC000128465042 187372634 /nfs/dbraw/zinc/37/26/34/187372634.db2.gz VYAUYVUOGNQDKK-NSHDSACASA-N 0 3 299.374 3.065 20 30 CGEDHN Cc1cccc2[nH]c(CNCC3(CC#N)CC3)cc21 ZINC000594936354 347235290 /nfs/dbraw/zinc/23/52/90/347235290.db2.gz JDXOJCASOKQLGP-UHFFFAOYSA-N 0 3 253.349 3.260 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](SCC)C2)nn1 ZINC000594941740 347235951 /nfs/dbraw/zinc/23/59/51/347235951.db2.gz UGMJYFUJGCERLM-HIFRSBDPSA-N 0 3 294.468 3.008 20 30 CGEDHN N#CCCC[C@H](NCc1cnn2c1CCC2)c1ccccc1 ZINC000594945432 347237765 /nfs/dbraw/zinc/23/77/65/347237765.db2.gz VGWSYXVMBVFSQB-KRWDZBQOSA-N 0 3 294.402 3.354 20 30 CGEDHN CC[C@@H](Cc1ccc(F)cc1)NCc1ccc(C#N)o1 ZINC000594950895 347238631 /nfs/dbraw/zinc/23/86/31/347238631.db2.gz KNECZEZZVIQUJE-AWEZNQCLSA-N 0 3 272.323 3.401 20 30 CGEDHN C[C@@H]1C[C@H](NCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000594981614 347248680 /nfs/dbraw/zinc/24/86/80/347248680.db2.gz RZXVFZDQMJNVHM-WDNDVIMCSA-N 0 3 250.386 3.006 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(C[C@H]2CCCCC2(C)C)CC1 ZINC000595399322 347298700 /nfs/dbraw/zinc/29/87/00/347298700.db2.gz VJXUTQSWJNFRQN-IAGOWNOFSA-N 0 3 291.483 3.369 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccc(C(=O)OC)o1 ZINC000595007110 347254994 /nfs/dbraw/zinc/25/49/94/347254994.db2.gz GEKYJQMTIDELNW-GXTWGEPZSA-N 0 3 277.364 3.291 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cc2cnccc2o1 ZINC000595013457 347257102 /nfs/dbraw/zinc/25/71/02/347257102.db2.gz IJDVJHCOQYUPJN-NSHDSACASA-N 0 3 262.378 3.398 20 30 CGEDHN COC1([C@@H](C)NCc2ccc(C#N)c(Cl)c2)CCC1 ZINC000595037549 347265653 /nfs/dbraw/zinc/26/56/53/347265653.db2.gz BJRIJBTUCPBGOW-LLVKDONJSA-N 0 3 278.783 3.259 20 30 CGEDHN C=C(C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595043948 347268006 /nfs/dbraw/zinc/26/80/06/347268006.db2.gz ZTRDYCOSLMPXKF-NSHDSACASA-N 0 3 264.325 3.220 20 30 CGEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)cn1 ZINC000595058201 347273125 /nfs/dbraw/zinc/27/31/25/347273125.db2.gz ZHAIOJLDMMVDMZ-GFCCVEGCSA-N 0 3 285.778 3.500 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000595060563 347274086 /nfs/dbraw/zinc/27/40/86/347274086.db2.gz VOSCXAJICXYMIN-ORAYPTAESA-N 0 3 297.489 3.384 20 30 CGEDHN N#C[C@@H]1CC[C@H](NC[C@@H](OC2CCCC2)C(F)(F)F)C1 ZINC000595074697 347278140 /nfs/dbraw/zinc/27/81/40/347278140.db2.gz UEFHTRJFDFXTCN-NTZNESFSSA-N 0 3 290.329 3.158 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(O)cc32)C1 ZINC000595087791 347280477 /nfs/dbraw/zinc/28/04/77/347280477.db2.gz DOMXCPVRCCQVFV-PVXIVEMSSA-N 0 3 256.349 3.051 20 30 CGEDHN COC1([C@H](C)NCC2(C#N)CCCCC2)CCCC1 ZINC000595091264 347280587 /nfs/dbraw/zinc/28/05/87/347280587.db2.gz OXOVVISCKPFOAI-AWEZNQCLSA-N 0 3 264.413 3.398 20 30 CGEDHN COCC[C@H]1CCC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595090532 347280640 /nfs/dbraw/zinc/28/06/40/347280640.db2.gz HISQHDMRSSGYNG-CABCVRRESA-N 0 3 264.413 3.255 20 30 CGEDHN COC1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595091631 347281090 /nfs/dbraw/zinc/28/10/90/347281090.db2.gz SFIMYSZMYSXVLL-UHFFFAOYSA-N 0 3 250.386 3.008 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccoc1C(=O)OC ZINC000595602453 347324312 /nfs/dbraw/zinc/32/43/12/347324312.db2.gz IVXJYYMPWFTEAZ-OCCSQVGLSA-N 0 3 277.364 3.291 20 30 CGEDHN Cc1ccc(C)c(OCCN2CCC[C@@H](CC#N)C2)c1 ZINC000595610412 347326652 /nfs/dbraw/zinc/32/66/52/347326652.db2.gz YBNJJLISWKXKPS-INIZCTEOSA-N 0 3 272.392 3.308 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@@H](CCF)C2)c1 ZINC000595756678 347351683 /nfs/dbraw/zinc/35/16/83/347351683.db2.gz VSLKYFDRDKHGQA-AWEZNQCLSA-N 0 3 276.355 3.009 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](CCF)C2)s1 ZINC000595756364 347351809 /nfs/dbraw/zinc/35/18/09/347351809.db2.gz UJXVWFNLMRSETH-NSHDSACASA-N 0 3 252.358 3.191 20 30 CGEDHN C=CCN(Cc1cc(C(=O)OC)c(C)o1)C(C)(C)C ZINC000595763992 347352391 /nfs/dbraw/zinc/35/23/91/347352391.db2.gz VASXGCHEIUCQGR-UHFFFAOYSA-N 0 3 265.353 3.161 20 30 CGEDHN CC[C@H](C)N(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000595593658 347322871 /nfs/dbraw/zinc/32/28/71/347322871.db2.gz SFKXZMCVVSHIED-HNNXBMFYSA-N 0 3 287.407 3.054 20 30 CGEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(C(C)(C)C)C2)c1C#N ZINC000596337419 347423359 /nfs/dbraw/zinc/42/33/59/347423359.db2.gz WVPNAOAGYWOCHG-LLVKDONJSA-N 0 3 292.814 3.200 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2nccc3ccccc32)C1 ZINC000597173240 347543449 /nfs/dbraw/zinc/54/34/49/347543449.db2.gz HEVFLPBLPKVDFS-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN Cc1ccc(CCCNCC2(C#N)CCCCC2)cn1 ZINC000597225030 347557604 /nfs/dbraw/zinc/55/76/04/347557604.db2.gz LVSWXFBSGHKMGP-UHFFFAOYSA-N 0 3 271.408 3.386 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCSc2ccccc21 ZINC000598700743 347679895 /nfs/dbraw/zinc/67/98/95/347679895.db2.gz PTLXUQHMBUGQNL-OCCSQVGLSA-N 0 3 290.432 3.114 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCSc2ccccc21 ZINC000598700744 347680129 /nfs/dbraw/zinc/68/01/29/347680129.db2.gz PTLXUQHMBUGQNL-TZMCWYRMSA-N 0 3 290.432 3.114 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc(C2CC2)ccc1F ZINC000598727415 347684258 /nfs/dbraw/zinc/68/42/58/347684258.db2.gz HJLYWEZVXOEYGT-OAHLLOKOSA-N 0 3 290.382 3.093 20 30 CGEDHN CC[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccc(C#N)cc1 ZINC000599086072 347715909 /nfs/dbraw/zinc/71/59/09/347715909.db2.gz YGBLRYZTEAQGMV-IXDOHACOSA-N 0 3 270.376 3.166 20 30 CGEDHN CN(Cc1ccc(Cl)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586829 347667012 /nfs/dbraw/zinc/66/70/12/347667012.db2.gz DZGPFVNWWKDGOL-AWEZNQCLSA-N 0 3 280.799 3.073 20 30 CGEDHN C[C@H](c1ccco1)N(C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598598419 347669346 /nfs/dbraw/zinc/66/93/46/347669346.db2.gz RKJYKEZPOHLYKE-TZMCWYRMSA-N 0 3 276.380 3.106 20 30 CGEDHN Cc1ccc(CN(C)[C@H](CCO)c2ccccc2)cc1C#N ZINC000599300824 347733552 /nfs/dbraw/zinc/73/35/52/347733552.db2.gz XFRUNOLYLXQFAU-LJQANCHMSA-N 0 3 294.398 3.422 20 30 CGEDHN Cc1ccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1C#N ZINC000599352582 347738081 /nfs/dbraw/zinc/73/80/81/347738081.db2.gz DHJOPPQHPICXPJ-DLBZAZTESA-N 0 3 286.419 3.096 20 30 CGEDHN Cc1c2ccccc2oc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599358346 347739929 /nfs/dbraw/zinc/73/99/29/347739929.db2.gz GVGXCISQHSLGMN-KGLIPLIRSA-N 0 3 298.386 3.447 20 30 CGEDHN Cc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1C#N ZINC000599402953 347742512 /nfs/dbraw/zinc/74/25/12/347742512.db2.gz IEVOZSMSSURXPO-DLBZAZTESA-N 0 3 270.376 3.010 20 30 CGEDHN Cc1ccc(CN2CCCc3cccc(CN)c32)cc1C#N ZINC000600724175 347830030 /nfs/dbraw/zinc/83/00/30/347830030.db2.gz XTMAMBBUAJWDRZ-UHFFFAOYSA-N 0 3 291.398 3.278 20 30 CGEDHN C[C@H]1C[C@H](c2ccc(-c3ccc([O-])c(C#N)c3)cc2)C[NH2+]1 ZINC000600779588 347834297 /nfs/dbraw/zinc/83/42/97/347834297.db2.gz GUPKVJHTOAHENO-SJCJKPOMSA-N 0 3 278.355 3.396 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccc(-c3ccc([O-])c(C#N)c3)cc2)C[NH2+]1 ZINC000600779589 347834733 /nfs/dbraw/zinc/83/47/33/347834733.db2.gz GUPKVJHTOAHENO-SJKOYZFVSA-N 0 3 278.355 3.396 20 30 CGEDHN Cc1ccc(-c2cccc([C@H]3CNCCO3)c2)cc1C#N ZINC000600793959 347837435 /nfs/dbraw/zinc/83/74/35/347837435.db2.gz QJBNEIZLMKQXIL-GOSISDBHSA-N 0 3 278.355 3.195 20 30 CGEDHN CN(CCS[C@@H](C#N)C1CC1)Cc1ccccc1 ZINC000601081461 347865810 /nfs/dbraw/zinc/86/58/10/347865810.db2.gz NYFHKGSZAMZDNV-HNNXBMFYSA-N 0 3 260.406 3.154 20 30 CGEDHN COc1cc(CN[C@@H]2CCCc3ncccc32)ccc1C#N ZINC000601281586 347888127 /nfs/dbraw/zinc/88/81/27/347888127.db2.gz ZZFFYWZFARLEHF-QGZVFWFLSA-N 0 3 293.370 3.129 20 30 CGEDHN N#CCCN1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000601314296 347891215 /nfs/dbraw/zinc/89/12/15/347891215.db2.gz BELXIHXGVFQILA-UHFFFAOYSA-N 0 3 297.446 3.244 20 30 CGEDHN C[C@H](Cc1cccs1)NCc1cccc(F)c1C#N ZINC000601997901 347931886 /nfs/dbraw/zinc/93/18/86/347931886.db2.gz NQTVSBHEGFAQEG-LLVKDONJSA-N 0 3 274.364 3.480 20 30 CGEDHN C[C@@H]1CC(CCNCc2cccc(F)c2C#N)C[C@@H](C)O1 ZINC000602015627 347933107 /nfs/dbraw/zinc/93/31/07/347933107.db2.gz FCVOHWSPGQEJQJ-CHWSQXEVSA-N 0 3 290.382 3.381 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000601768339 347911502 /nfs/dbraw/zinc/91/15/02/347911502.db2.gz ASPWBDYIPWUTPV-BQFCYCMXSA-N 0 3 282.387 3.208 20 30 CGEDHN C[C@H](CCC#N)CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000602437700 347958427 /nfs/dbraw/zinc/95/84/27/347958427.db2.gz WZXPZUYRXHQZQK-OAHLLOKOSA-N 0 3 282.391 3.244 20 30 CGEDHN CCN(CCc1cccs1)Cc1cccc(C#N)n1 ZINC000602449487 347960301 /nfs/dbraw/zinc/96/03/01/347960301.db2.gz RKVYBRKMBBRLNV-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN C[C@@H](CCC#N)CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000602447856 347960327 /nfs/dbraw/zinc/96/03/27/347960327.db2.gz GUQCQTHVSHAXNC-HOCLYGCPSA-N 0 3 276.380 3.200 20 30 CGEDHN Cc1nc2sccn2c1CN(C)C[C@H](C)CCC#N ZINC000602457320 347960925 /nfs/dbraw/zinc/96/09/25/347960925.db2.gz FYJWLAGGGQUBPI-LLVKDONJSA-N 0 3 276.409 3.076 20 30 CGEDHN C[C@@H](CCC#N)CN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000602470995 347963822 /nfs/dbraw/zinc/96/38/22/347963822.db2.gz AUVDKJPNUVOLNZ-DOTOQJQBSA-N 0 3 299.418 3.054 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCC[C@H]3CCO3)CC2)cc1 ZINC000602494918 347969458 /nfs/dbraw/zinc/96/94/58/347969458.db2.gz QWSQONUJFRAFKO-SFHVURJKSA-N 0 3 282.387 3.216 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)n1)c1ccccc1F ZINC000602527022 347975761 /nfs/dbraw/zinc/97/57/61/347975761.db2.gz IAMLDORHVMISFJ-UHFFFAOYSA-N 0 3 283.350 3.160 20 30 CGEDHN N#CC1CCC(NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000602573192 347985683 /nfs/dbraw/zinc/98/56/83/347985683.db2.gz PYZNUNCULSGTGE-UHFFFAOYSA-N 0 3 286.272 3.415 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000602627521 347996917 /nfs/dbraw/zinc/99/69/17/347996917.db2.gz FQLGFXLWQRXCHF-SJORKVTESA-N 0 3 291.398 3.454 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000602627519 347997142 /nfs/dbraw/zinc/99/71/42/347997142.db2.gz FQLGFXLWQRXCHF-IAGOWNOFSA-N 0 3 291.398 3.454 20 30 CGEDHN N#CCC1(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000602759888 348024575 /nfs/dbraw/zinc/02/45/75/348024575.db2.gz NLHHFQSHHPEPGN-OAHLLOKOSA-N 0 3 298.386 3.289 20 30 CGEDHN CN(CCCOc1ccccc1)CC1(CC#N)CC1 ZINC000602765190 348025216 /nfs/dbraw/zinc/02/52/16/348025216.db2.gz FEYAWZHHLWKIRH-UHFFFAOYSA-N 0 3 258.365 3.081 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2cccc(C#N)n2)C12CCCCC2 ZINC000602548196 347979806 /nfs/dbraw/zinc/97/98/06/347979806.db2.gz RQOQYRILCCHPCL-IRXDYDNUSA-N 0 3 299.418 3.171 20 30 CGEDHN COc1cccc(F)c1[C@@H](C)NC[C@H](C)CCC#N ZINC000602560483 347982001 /nfs/dbraw/zinc/98/20/01/347982001.db2.gz XNGPFBHYRZFPOQ-VXGBXAGGSA-N 0 3 264.344 3.425 20 30 CGEDHN Cc1cccnc1[C@@H](NCC1(CC#N)CC1)C(C)C ZINC000602792008 348030760 /nfs/dbraw/zinc/03/07/60/348030760.db2.gz ZPXWWTNKNGVZBR-AWEZNQCLSA-N 0 3 257.381 3.371 20 30 CGEDHN COc1cc(CN(CC2(CC#N)CC2)C2CC2)ccc1O ZINC000602799870 348031599 /nfs/dbraw/zinc/03/15/99/348031599.db2.gz QOKICBGRCDOUJU-UHFFFAOYSA-N 0 3 286.375 3.059 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000602832988 348034502 /nfs/dbraw/zinc/03/45/02/348034502.db2.gz UPYULIHGHSHTQR-CYBMUJFWSA-N 0 3 298.365 3.356 20 30 CGEDHN N#CCC1(CN[C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000602830008 348034627 /nfs/dbraw/zinc/03/46/27/348034627.db2.gz TTXGLCNRJDGCNS-CQSZACIVSA-N 0 3 278.783 3.047 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CC1(CC#N)CC1 ZINC000602845587 348036447 /nfs/dbraw/zinc/03/64/47/348036447.db2.gz KUWKCXQTFUFWJV-ZDUSSCGKSA-N 0 3 253.349 3.245 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000602855914 348037674 /nfs/dbraw/zinc/03/76/74/348037674.db2.gz QJNBZRINENKGIS-GOSISDBHSA-N 0 3 277.371 3.333 20 30 CGEDHN C[C@@]1(c2cccc(F)c2)CCN(CC2(CC#N)CC2)C1 ZINC000602868033 348038485 /nfs/dbraw/zinc/03/84/85/348038485.db2.gz VCMLSUCHNIATBD-MRXNPFEDSA-N 0 3 272.367 3.483 20 30 CGEDHN Cc1cc(C)c(NC(=O)CCCN[C@H](C)CC#N)c(C)c1 ZINC000602870820 348038941 /nfs/dbraw/zinc/03/89/41/348038941.db2.gz XMPPEPPXPRWZPI-OAHLLOKOSA-N 0 3 287.407 3.222 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@@H]1c1cn[nH]c1 ZINC000602880313 348039922 /nfs/dbraw/zinc/03/99/22/348039922.db2.gz LZSFXTGLICYCQJ-CQSZACIVSA-N 0 3 260.385 3.267 20 30 CGEDHN CC(C)(NCC1(CC#N)CC1)c1cccc(C#N)c1 ZINC000602880140 348040116 /nfs/dbraw/zinc/04/01/16/348040116.db2.gz MTBPHQBMGDGOOK-UHFFFAOYSA-N 0 3 253.349 3.077 20 30 CGEDHN C[C@H]1CC[C@H](CN2CCC(Nc3ccccc3C#N)CC2)O1 ZINC000602896483 348041742 /nfs/dbraw/zinc/04/17/42/348041742.db2.gz ROGINDYMKABLJF-WMLDXEAASA-N 0 3 299.418 3.002 20 30 CGEDHN N#Cc1ccc(C2CCN([C@H]3C=CCCC3)CC2)nc1 ZINC000602909761 348043267 /nfs/dbraw/zinc/04/32/67/348043267.db2.gz NYAXGEAOHVTULJ-INIZCTEOSA-N 0 3 267.376 3.241 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccccc3F)CC2)C1 ZINC000602947500 348045825 /nfs/dbraw/zinc/04/58/25/348045825.db2.gz PONPTDLTWAXXOQ-UONOGXRCSA-N 0 3 288.366 3.361 20 30 CGEDHN C[C@]1(C2CCCCC2)CCN1Cc1ccc(C#N)cn1 ZINC000603029796 348054764 /nfs/dbraw/zinc/05/47/64/348054764.db2.gz OPWVOVCUQHXAPS-QGZVFWFLSA-N 0 3 269.392 3.498 20 30 CGEDHN C=CCCSCCNCc1ccc(SC)o1 ZINC000603433117 348083636 /nfs/dbraw/zinc/08/36/36/348083636.db2.gz SYMYKMXNZPSTKG-UHFFFAOYSA-N 0 3 257.424 3.400 20 30 CGEDHN C=CCCCCCN(C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000606970806 348212813 /nfs/dbraw/zinc/21/28/13/348212813.db2.gz KZZOARFKCRCDTA-MRXNPFEDSA-N 0 3 295.471 3.249 20 30 CGEDHN CC[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000609676711 348350908 /nfs/dbraw/zinc/35/09/08/348350908.db2.gz LGRPBJJTXVVPTE-IAGOWNOFSA-N 0 3 299.418 3.033 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3cccnc3c2)cc1 ZINC000608982493 348335028 /nfs/dbraw/zinc/33/50/28/348335028.db2.gz VIOIBOODVWAQME-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2OCCc3ccccc32)c(F)c1 ZINC000610946965 348411267 /nfs/dbraw/zinc/41/12/67/348411267.db2.gz YFTKNPVAHFMRGN-SFHVURJKSA-N 0 3 296.345 3.101 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2ccco2)C1 ZINC000610957478 348412037 /nfs/dbraw/zinc/41/20/37/348412037.db2.gz NHCOEHFYBZTWPT-AWEZNQCLSA-N 0 3 282.343 3.149 20 30 CGEDHN C[C@@H](NCc1cccc2nccn21)c1cccc(C#N)c1 ZINC000611278560 348434959 /nfs/dbraw/zinc/43/49/59/348434959.db2.gz JSNWSVUQGFSKNS-CYBMUJFWSA-N 0 3 276.343 3.057 20 30 CGEDHN C=C(C)CN[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611405047 348447128 /nfs/dbraw/zinc/44/71/28/348447128.db2.gz GIABMIGHZXUVSP-CQSZACIVSA-N 0 3 261.365 3.093 20 30 CGEDHN C=C(CC)CN[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406732 348447631 /nfs/dbraw/zinc/44/76/31/348447631.db2.gz VXUAXOURBNVKQI-HNNXBMFYSA-N 0 3 275.392 3.483 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000614166443 348653600 /nfs/dbraw/zinc/65/36/00/348653600.db2.gz IXBUJZRQQAOIBX-AWEZNQCLSA-N 0 3 272.392 3.099 20 30 CGEDHN CC(C)CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159496 348653674 /nfs/dbraw/zinc/65/36/74/348653674.db2.gz WRJMXQLYDVBWOC-UHFFFAOYSA-N 0 3 299.462 3.261 20 30 CGEDHN C[C@H]1COCCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176083 348654983 /nfs/dbraw/zinc/65/49/83/348654983.db2.gz ALSUTDNGRGMOBV-AWEZNQCLSA-N 0 3 272.392 3.099 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCN(C)c2ccccc2C1 ZINC000614397246 348673308 /nfs/dbraw/zinc/67/33/08/348673308.db2.gz FXXPVFPYLVCCIX-UHFFFAOYSA-N 0 3 291.398 3.319 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000617065726 348912112 /nfs/dbraw/zinc/91/21/12/348912112.db2.gz IIQBZFZYIGLIOR-SFHVURJKSA-N 0 3 299.462 3.260 20 30 CGEDHN Cc1cc(CN(Cc2ccccc2)C[C@@H](C)O)ccc1C#N ZINC000618593600 349115853 /nfs/dbraw/zinc/11/58/53/349115853.db2.gz QLEILWRWUZJFKD-MRXNPFEDSA-N 0 3 294.398 3.250 20 30 CGEDHN CCn1ccc(CN(C)Cc2ccc(C#N)c(C)c2)c1 ZINC000618611227 349121380 /nfs/dbraw/zinc/12/13/80/349121380.db2.gz FEUGYAAFONNSOZ-UHFFFAOYSA-N 0 3 267.376 3.320 20 30 CGEDHN N#CC1CCC(CNCc2nc3c(s2)CCCC3)CC1 ZINC000619655161 349266968 /nfs/dbraw/zinc/26/69/68/349266968.db2.gz HBDZDPVMYKAZIB-UHFFFAOYSA-N 0 3 289.448 3.441 20 30 CGEDHN CC(C)CN1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784740 349285284 /nfs/dbraw/zinc/28/52/84/349285284.db2.gz NEXWRHIKDDSFPJ-MRXNPFEDSA-N 0 3 291.826 3.178 20 30 CGEDHN C=CCN(Cc1ccc(C)c(F)c1)[C@@H](C)COC ZINC000625530850 350181399 /nfs/dbraw/zinc/18/13/99/350181399.db2.gz UEYJMTXTJPMYOP-ZDUSSCGKSA-N 0 3 251.345 3.157 20 30 CGEDHN C=CCOCCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625654694 350191910 /nfs/dbraw/zinc/19/19/10/350191910.db2.gz GSLWCVBUJWTOLQ-CQSZACIVSA-N 0 3 281.346 3.347 20 30 CGEDHN C=CCC1(NCc2nnc(C)s2)CCCCC1 ZINC000625933595 350232501 /nfs/dbraw/zinc/23/25/01/350232501.db2.gz ISPIPQOKPGEAEY-UHFFFAOYSA-N 0 3 251.399 3.215 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cnc(C)o1 ZINC000628312368 350494219 /nfs/dbraw/zinc/49/42/19/350494219.db2.gz ZCNGVODZAKBIBX-HNNXBMFYSA-N 0 3 256.349 3.260 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc(N(CC)CC)s2)C1 ZINC000628405982 350529283 /nfs/dbraw/zinc/52/92/83/350529283.db2.gz ZHBIWZPQCWQCSM-CYBMUJFWSA-N 0 3 279.453 3.387 20 30 CGEDHN C=CC[C@H]1CCN(Cc2nn(CC)c3ccccc23)C1 ZINC000628406534 350530034 /nfs/dbraw/zinc/53/00/34/350530034.db2.gz LLFMFYSHPNTJIX-AWEZNQCLSA-N 0 3 269.392 3.454 20 30 CGEDHN C=CC(C)(C)CCN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000629250946 350672206 /nfs/dbraw/zinc/67/22/06/350672206.db2.gz SPMGDWZYECCHGW-OAHLLOKOSA-N 0 3 274.408 3.008 20 30 CGEDHN C=C1CC(C)(C(=O)Nc2ccc(CN(C)C)cc2OC)C1 ZINC000633380133 351289792 /nfs/dbraw/zinc/28/97/92/351289792.db2.gz SJTKLYKCXMQNQG-UHFFFAOYSA-N 0 3 288.391 3.052 20 30 CGEDHN C[C@@H](NCc1cnc2ccccn12)c1ccc(C#N)cc1 ZINC000121870560 187001964 /nfs/dbraw/zinc/00/19/64/187001964.db2.gz LSFFBJGGUQGVMG-CYBMUJFWSA-N 0 3 276.343 3.057 20 30 CGEDHN C[C@H](NCc1cnc2ccccn12)c1ccc(C#N)cc1 ZINC000121870427 187002082 /nfs/dbraw/zinc/00/20/82/187002082.db2.gz LSFFBJGGUQGVMG-ZDUSSCGKSA-N 0 3 276.343 3.057 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000291759647 198082771 /nfs/dbraw/zinc/08/27/71/198082771.db2.gz RGCMFXXDRVMXLZ-MRXNPFEDSA-N 0 3 295.361 3.066 20 30 CGEDHN CN(CCc1ccc(Cl)cc1)Cc1ccc(C#N)o1 ZINC000123620829 187101278 /nfs/dbraw/zinc/10/12/78/187101278.db2.gz MWBDVYVDASLXOH-UHFFFAOYSA-N 0 3 274.751 3.479 20 30 CGEDHN C=CCN(C[C@@H](O)c1cccc(Cl)c1)C1CC1 ZINC000271457186 191149427 /nfs/dbraw/zinc/14/94/27/191149427.db2.gz PDKSFLWOFMJRQK-CQSZACIVSA-N 0 3 251.757 3.024 20 30 CGEDHN N#Cc1ccc(CNC[C@@H](c2ccccc2)C2CC2)o1 ZINC000292345570 198252905 /nfs/dbraw/zinc/25/29/05/198252905.db2.gz ADLKINANZXZPEX-KRWDZBQOSA-N 0 3 266.344 3.435 20 30 CGEDHN CC#CCCN(C)Cc1ccc(SC)c(OC)c1 ZINC000155317671 188199197 /nfs/dbraw/zinc/19/91/97/188199197.db2.gz BEUDRNZNENVFDD-UHFFFAOYSA-N 0 3 263.406 3.262 20 30 CGEDHN CC#CCCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000155031788 188177355 /nfs/dbraw/zinc/17/73/55/188177355.db2.gz IGAGDOOXMHEZLS-OAHLLOKOSA-N 0 3 273.376 3.254 20 30 CGEDHN CC(C)(C#N)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000157954455 188348543 /nfs/dbraw/zinc/34/85/43/188348543.db2.gz HRKZQWFJQXEDIP-UHFFFAOYSA-N 0 3 296.418 3.010 20 30 CGEDHN N#Cc1ccc(CNCC2(Cc3ccccc3)CC2)o1 ZINC000158888204 188399011 /nfs/dbraw/zinc/39/90/11/188399011.db2.gz ZJOVTFWMYHCVMO-UHFFFAOYSA-N 0 3 266.344 3.264 20 30 CGEDHN C[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccc(C#N)cc1 ZINC000271836403 191357768 /nfs/dbraw/zinc/35/77/68/191357768.db2.gz FVLQHKJLRQHPIF-MLGOLLRUSA-N 0 3 286.400 3.178 20 30 CGEDHN C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000271868258 191378594 /nfs/dbraw/zinc/37/85/94/191378594.db2.gz MASPPYRFEOVDBC-SCLBCKFNSA-N 0 3 298.361 3.256 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000414345320 235392756 /nfs/dbraw/zinc/39/27/56/235392756.db2.gz SKVPJQGPBJYZCM-KCPJHIHWSA-N 0 3 252.317 3.358 20 30 CGEDHN N#Cc1ccc(CNCC2=CCCOC2)c(C(F)(F)F)c1 ZINC000352906459 283144833 /nfs/dbraw/zinc/14/48/33/283144833.db2.gz WFFAOQBZEKDMKO-UHFFFAOYSA-N 0 3 296.292 3.013 20 30 CGEDHN C[C@@H](CNc1c(F)cc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000109810160 138362028 /nfs/dbraw/zinc/36/20/28/138362028.db2.gz WLZFPUXNKDOYLK-NEPJUHHUSA-N 0 3 293.361 3.369 20 30 CGEDHN N#Cc1cnc(N[C@@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000114709787 138365391 /nfs/dbraw/zinc/36/53/91/138365391.db2.gz JPJFVIWXRSIHKH-GFCCVEGCSA-N 0 3 290.798 3.035 20 30 CGEDHN COC(=O)c1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000124595750 138376492 /nfs/dbraw/zinc/37/64/92/138376492.db2.gz KYCGWYXJVYQXJD-ZDUSSCGKSA-N 0 3 294.354 3.196 20 30 CGEDHN CCN(CC)[C@@H](CNc1cc(C)nc(C#N)c1)c1ccco1 ZINC000341924514 216153789 /nfs/dbraw/zinc/15/37/89/216153789.db2.gz FQYOWYXITXKWCA-INIZCTEOSA-N 0 3 298.390 3.350 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)o1 ZINC000177582866 189058327 /nfs/dbraw/zinc/05/83/27/189058327.db2.gz MOQSIYLVUPJNLG-STQMWFEESA-N 0 3 254.333 3.433 20 30 CGEDHN CC[C@H](C)CN(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177859347 189074700 /nfs/dbraw/zinc/07/47/00/189074700.db2.gz NKSNDTOFQQTBBC-ZDUSSCGKSA-N 0 3 298.390 3.476 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2cccnc2Cl)CC1 ZINC000177907502 189078229 /nfs/dbraw/zinc/07/82/29/189078229.db2.gz QXJJYBDEIOAYAK-LBPRGKRZSA-N 0 3 279.815 3.036 20 30 CGEDHN CCCC[C@H](COC)N[C@H](C)c1cccc(C#N)c1 ZINC000178178425 189095537 /nfs/dbraw/zinc/09/55/37/189095537.db2.gz VCHINJWUUQROTB-CZUORRHYSA-N 0 3 260.381 3.414 20 30 CGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccccc1 ZINC000181376887 189295177 /nfs/dbraw/zinc/29/51/77/189295177.db2.gz BLNQHVPNQPXODM-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1cccc(C#N)c1 ZINC000181564719 189301375 /nfs/dbraw/zinc/30/13/75/189301375.db2.gz HBIGDEYYZZLIHD-KGLIPLIRSA-N 0 3 280.371 3.462 20 30 CGEDHN Cc1noc(C)c1CCN[C@@H](C)c1cccc(C#N)c1 ZINC000181980928 189311343 /nfs/dbraw/zinc/31/13/43/189311343.db2.gz RQEITXWGSKIWOG-NSHDSACASA-N 0 3 269.348 3.056 20 30 CGEDHN C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000182082203 189313295 /nfs/dbraw/zinc/31/32/95/189313295.db2.gz BJXOZCYRWFNXLR-ACJLOTCBSA-N 0 3 298.361 3.256 20 30 CGEDHN C=C(C)CNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000119621178 370691637 /nfs/dbraw/zinc/69/16/37/370691637.db2.gz VIMOGACAMPYPJF-UHFFFAOYSA-N 0 3 261.756 3.191 20 30 CGEDHN CC[C@@H](C)[C@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000183062899 189344885 /nfs/dbraw/zinc/34/48/85/189344885.db2.gz ZVGMCHZPZWXTMZ-KOLCDFICSA-N 0 3 293.436 3.199 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc(Cl)c(OC)cc1Cl ZINC000184276119 189381237 /nfs/dbraw/zinc/38/12/37/189381237.db2.gz PVQYUUJZUYURIV-JTQLQIEISA-N 0 3 290.190 3.029 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC1CCN(CC(C)C)CC1 ZINC000302043073 201317496 /nfs/dbraw/zinc/31/74/96/201317496.db2.gz JBOINMCLXCQZRZ-UHFFFAOYSA-N 0 3 299.418 3.293 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000186311932 189435683 /nfs/dbraw/zinc/43/56/83/189435683.db2.gz VODFGOYCPATNCC-IRXDYDNUSA-N 0 3 290.382 3.381 20 30 CGEDHN C[C@@]12CN(Cc3ccc(C#N)c(F)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368964 240285438 /nfs/dbraw/zinc/28/54/38/240285438.db2.gz MUSHTZJSJSDRHC-VUNQQRPYSA-N 0 3 282.362 3.341 20 30 CGEDHN C[C@@H](CCCc1cccnc1)NCc1ccc(C#N)o1 ZINC000459641038 242160816 /nfs/dbraw/zinc/16/08/16/242160816.db2.gz AGUBQOKSUJREBG-ZDUSSCGKSA-N 0 3 269.348 3.047 20 30 CGEDHN C=CCN(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000121500113 370867725 /nfs/dbraw/zinc/86/77/25/370867725.db2.gz NOZOAQXLGKWUBY-SFHVURJKSA-N 0 3 297.398 3.211 20 30 CGEDHN C=CCN(C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000121601042 370876636 /nfs/dbraw/zinc/87/66/36/370876636.db2.gz ZRCHUYFLLJJCNY-UHFFFAOYSA-N 0 3 264.394 3.078 20 30 CGEDHN COc1cccc([C@H](C)NCc2ccc(C#N)cc2)c1 ZINC000037748269 369103276 /nfs/dbraw/zinc/10/32/76/369103276.db2.gz RPLQRQRZNYDYMF-ZDUSSCGKSA-N 0 3 266.344 3.418 20 30 CGEDHN N#Cc1cccc(CNCc2cccc3cccnc32)c1 ZINC000037863687 369120511 /nfs/dbraw/zinc/12/05/11/369120511.db2.gz JZUNXVWDFZDGDB-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041520033 369189165 /nfs/dbraw/zinc/18/91/65/369189165.db2.gz BFMPWLYWBUFQDH-CYBMUJFWSA-N 0 3 286.356 3.340 20 30 CGEDHN C[C@H](CCCC(F)(F)F)NCc1ccc(C#N)o1 ZINC000494843486 244322964 /nfs/dbraw/zinc/32/29/64/244322964.db2.gz BUBBMKOOBISKIU-SECBINFHSA-N 0 3 260.259 3.362 20 30 CGEDHN CC[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000128213464 370961052 /nfs/dbraw/zinc/96/10/52/370961052.db2.gz JMVCCXISAWCSEF-SAGYGOJTSA-N 0 3 284.403 3.158 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(OC)cc1 ZINC000054183561 369497221 /nfs/dbraw/zinc/49/72/21/369497221.db2.gz TZJLOUDUPKRQON-ZFWWWQNUSA-N 0 3 260.381 3.298 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1)[C@H]1C=CCCC1 ZINC000066496995 369695760 /nfs/dbraw/zinc/69/57/60/369695760.db2.gz GRDDTFAQDLINPK-KRWDZBQOSA-N 0 3 270.376 3.115 20 30 CGEDHN C=CCN(CCCSC)Cc1ccc(OC)cc1 ZINC000075643613 369916184 /nfs/dbraw/zinc/91/61/84/369916184.db2.gz YHKPOAAXBBHVSM-UHFFFAOYSA-N 0 3 265.422 3.436 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000076736125 369941538 /nfs/dbraw/zinc/94/15/38/369941538.db2.gz SUMBTBHRCRNYBU-AWEZNQCLSA-N 0 3 290.407 3.310 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000076737521 369942123 /nfs/dbraw/zinc/94/21/23/369942123.db2.gz NUDQEODGMVXCKB-KGLIPLIRSA-N 0 3 292.398 3.289 20 30 CGEDHN CN(Cc1ccc(C#N)o1)[C@@H]1CCc2ccccc2C1 ZINC000093438685 370129190 /nfs/dbraw/zinc/12/91/90/370129190.db2.gz ZFCWKCQBSDKVLC-OAHLLOKOSA-N 0 3 266.344 3.141 20 30 CGEDHN C#CCN(Cc1ccc(N2CCCC2)nc1)C1CCCC1 ZINC000093819762 370160905 /nfs/dbraw/zinc/16/09/05/370160905.db2.gz PLMWCXFPYNEZCO-UHFFFAOYSA-N 0 3 283.419 3.060 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)cc2C)CC1 ZINC000106039552 370350427 /nfs/dbraw/zinc/35/04/27/370350427.db2.gz WMJKRJCVQMLNMO-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(CNCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111158670 370392953 /nfs/dbraw/zinc/39/29/53/370392953.db2.gz FQPBMZDOGKMYNW-UHFFFAOYSA-N 0 3 268.316 3.398 20 30 CGEDHN CC[C@@H](c1ccncc1)N(C)CCOc1ccccc1C#N ZINC000130147950 371013418 /nfs/dbraw/zinc/01/34/18/371013418.db2.gz QPYMEFCDJIKIAT-KRWDZBQOSA-N 0 3 295.386 3.415 20 30 CGEDHN C=CCC(CC=C)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000132050704 371148985 /nfs/dbraw/zinc/14/89/85/371148985.db2.gz YONMTTNFBGCOPG-KRWDZBQOSA-N 0 3 298.430 3.274 20 30 CGEDHN N#CCCCN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134809368 371366057 /nfs/dbraw/zinc/36/60/57/371366057.db2.gz WKIRFTQJPWRALM-HOTGVXAUSA-N 0 3 276.355 3.017 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136959112 371488955 /nfs/dbraw/zinc/48/89/55/371488955.db2.gz XHAYOAAPEHSZPB-RYQLBKOJSA-N 0 3 285.435 3.179 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151872603 371646241 /nfs/dbraw/zinc/64/62/41/371646241.db2.gz BIVNIRQEPXQAHO-SJORKVTESA-N 0 3 296.370 3.239 20 30 CGEDHN C=C[C@H](C)NCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000152757812 371722566 /nfs/dbraw/zinc/72/25/66/371722566.db2.gz CLNPXMIZDKNZHR-LBPRGKRZSA-N 0 3 285.343 3.397 20 30 CGEDHN C#CCCCN[C@H](COC)c1cccc(Cl)c1 ZINC000288790381 371744933 /nfs/dbraw/zinc/74/49/33/371744933.db2.gz LAXWNOWMYCFKTK-CQSZACIVSA-N 0 3 251.757 3.031 20 30 CGEDHN CN1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000289355218 371753942 /nfs/dbraw/zinc/75/39/42/371753942.db2.gz HVOCYIRTXSAZAO-UXHICEINSA-N 0 3 290.410 3.073 20 30 CGEDHN CCCN(CCOCC(C)C)Cc1ccc(C#N)cc1 ZINC000337319386 214005096 /nfs/dbraw/zinc/00/50/96/214005096.db2.gz AFIGVAHPHQCSCL-UHFFFAOYSA-N 0 3 274.408 3.443 20 30 CGEDHN CCc1nc(CCNCc2ccc(C#N)s2)sc1C ZINC000344118105 217058560 /nfs/dbraw/zinc/05/85/60/217058560.db2.gz PUERVMLPNDLCON-UHFFFAOYSA-N 0 3 291.445 3.279 20 30 CGEDHN C[C@@H](N[C@@H](CCO)c1ccccc1)c1cccc(C#N)c1 ZINC000344140184 217070147 /nfs/dbraw/zinc/07/01/47/217070147.db2.gz OFKKZWHMJNGBBD-KDOFPFPSSA-N 0 3 280.371 3.333 20 30 CGEDHN CN(CCNc1nc2c(cc1C#N)CCCC2(C)C)C1CC1 ZINC000428100788 372180626 /nfs/dbraw/zinc/18/06/26/372180626.db2.gz GTQQIBSHKVCIJN-UHFFFAOYSA-N 0 3 298.434 3.073 20 30 CGEDHN O[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C12CCCC2 ZINC000292611146 372198134 /nfs/dbraw/zinc/19/81/34/372198134.db2.gz FIIUZENZZZRHRL-MRXNPFEDSA-N 0 3 289.806 3.071 20 30 CGEDHN C=CCc1cc(CNC(C)(C)COCC)cc(OC)c1O ZINC000292992753 372270372 /nfs/dbraw/zinc/27/03/72/372270372.db2.gz ODNRZPMBEYSUTN-UHFFFAOYSA-N 0 3 293.407 3.034 20 30 CGEDHN C=C(C)[C@H](NC[C@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC000293000944 372274867 /nfs/dbraw/zinc/27/48/67/372274867.db2.gz SULWMBRKCAGTPY-GJZGRUSLSA-N 0 3 269.335 3.189 20 30 CGEDHN CC(C)[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCCO1 ZINC000293158662 372314029 /nfs/dbraw/zinc/31/40/29/372314029.db2.gz ORPTVGJFVYCLMY-YOEHRIQHSA-N 0 3 272.392 3.366 20 30 CGEDHN CC(C)[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCCO1 ZINC000293158656 372314218 /nfs/dbraw/zinc/31/42/18/372314218.db2.gz ORPTVGJFVYCLMY-RHSMWYFYSA-N 0 3 272.392 3.366 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H]2CC)cc1OC ZINC000430205848 372386718 /nfs/dbraw/zinc/38/67/18/372386718.db2.gz NQYVLGJBMFYIRI-CQSZACIVSA-N 0 3 261.365 3.244 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(C)cc1OC ZINC000163521878 372475741 /nfs/dbraw/zinc/47/57/41/372475741.db2.gz ZGXGTNCVFHJALC-AWEZNQCLSA-N 0 3 263.381 3.247 20 30 CGEDHN CC[C@H](C)N1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162899531 372432998 /nfs/dbraw/zinc/43/29/98/372432998.db2.gz FAEGYGPRGYZRDE-ZDUSSCGKSA-N 0 3 291.826 3.128 20 30 CGEDHN Cc1nc(C)c(CCNCc2ccc(C#N)cc2F)s1 ZINC000344404969 217181976 /nfs/dbraw/zinc/18/19/76/217181976.db2.gz FRVXGFCKDDIYTL-UHFFFAOYSA-N 0 3 289.379 3.103 20 30 CGEDHN C#CCN(CCc1c(C)noc1C)[C@H]1CCc2ccccc21 ZINC000164945174 372538901 /nfs/dbraw/zinc/53/89/01/372538901.db2.gz RARVLRSDPDVOEG-IBGZPJMESA-N 0 3 294.398 3.457 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NCCN1CCCC[C@H]1CC ZINC000432080748 372533582 /nfs/dbraw/zinc/53/35/82/372533582.db2.gz QGAJSHUVJUJLNU-OAHLLOKOSA-N 0 3 295.471 3.152 20 30 CGEDHN COc1ccc2c(c1)CCC[C@H]2CNCc1ccc(C#N)o1 ZINC000167317150 372593734 /nfs/dbraw/zinc/59/37/34/372593734.db2.gz OMJJSRPRZCWIBD-AWEZNQCLSA-N 0 3 296.370 3.370 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@H](C)c1ccc(C#N)cc1)OC ZINC000294182298 372606042 /nfs/dbraw/zinc/60/60/42/372606042.db2.gz KFPMBNVHPPILSB-WOSRLPQWSA-N 0 3 260.381 3.270 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@@H]3COCC[C@H]32)c1 ZINC000438517181 372968702 /nfs/dbraw/zinc/96/87/02/372968702.db2.gz XZTGLXUYTSERPE-NVXWUHKLSA-N 0 3 289.806 3.192 20 30 CGEDHN C#CCCCN1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295971795 372979075 /nfs/dbraw/zinc/97/90/75/372979075.db2.gz NNHLOVKJUVIWGH-INIZCTEOSA-N 0 3 267.376 3.422 20 30 CGEDHN C#CCCCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295971795 372979082 /nfs/dbraw/zinc/97/90/82/372979082.db2.gz NNHLOVKJUVIWGH-INIZCTEOSA-N 0 3 267.376 3.422 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000439681614 372980632 /nfs/dbraw/zinc/98/06/32/372980632.db2.gz OHVBPHKJAHHISV-NVXWUHKLSA-N 0 3 284.403 3.408 20 30 CGEDHN CCN(CCC(=O)OC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000172721624 373021990 /nfs/dbraw/zinc/02/19/90/373021990.db2.gz YUPHAHVDPGIDHW-CQSZACIVSA-N 0 3 288.391 3.283 20 30 CGEDHN COc1cc(Cl)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442790409 373084120 /nfs/dbraw/zinc/08/41/20/373084120.db2.gz GGZBLPBORHGAPV-ZWNOBZJWSA-N 0 3 264.756 3.130 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)C1 ZINC000442821622 373096761 /nfs/dbraw/zinc/09/67/61/373096761.db2.gz BRNSTLSLLUFGPT-STQMWFEESA-N 0 3 298.415 3.029 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296381090 373114035 /nfs/dbraw/zinc/11/40/35/373114035.db2.gz JEFRCXXGXIVTJP-LSDHHAIUSA-N 0 3 298.386 3.462 20 30 CGEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000444753544 373260804 /nfs/dbraw/zinc/26/08/04/373260804.db2.gz OLERSBPSKHTAMN-GDBMZVCRSA-N 0 3 299.418 3.253 20 30 CGEDHN Cc1ccnc([C@@H](C)NCCc2cccc(C#N)c2)c1 ZINC000353596387 220181868 /nfs/dbraw/zinc/18/18/68/220181868.db2.gz QKFPGBLISQJALE-CQSZACIVSA-N 0 3 265.360 3.155 20 30 CGEDHN CCCOc1ncccc1CNC1CCC(C)(C#N)CC1 ZINC000449104396 373664073 /nfs/dbraw/zinc/66/40/73/373664073.db2.gz FJURFOOMDTUCBQ-UHFFFAOYSA-N 0 3 287.407 3.432 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H](c1nncn1C)C(C)C ZINC000449314595 373679875 /nfs/dbraw/zinc/67/98/75/373679875.db2.gz DKQCYQKMCPMCQP-KBPBESRZSA-N 0 3 264.417 3.237 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc(Cl)c(F)c2)C1 ZINC000449483818 373773593 /nfs/dbraw/zinc/77/35/93/373773593.db2.gz CLMFPQZQHUMKNU-MNOVXSKESA-N 0 3 282.746 3.140 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000449505281 373804195 /nfs/dbraw/zinc/80/41/95/373804195.db2.gz WUXZBOBZQRLZHQ-QGZVFWFLSA-N 0 3 289.419 3.498 20 30 CGEDHN C#C[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)C(C)(C)C ZINC000491229538 261380829 /nfs/dbraw/zinc/38/08/29/261380829.db2.gz HVLAACSMMLIVOR-CZUORRHYSA-N 0 3 270.376 3.115 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2ccccc2c1 ZINC000449522631 373821978 /nfs/dbraw/zinc/82/19/78/373821978.db2.gz VWENRSOLQYXMRA-SJORKVTESA-N 0 3 253.345 3.273 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2ccccc2c1 ZINC000449549673 373832183 /nfs/dbraw/zinc/83/21/83/373832183.db2.gz ZWXOFDSSGOJXMW-SJORKVTESA-N 0 3 268.360 3.058 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000449549676 373832583 /nfs/dbraw/zinc/83/25/83/373832583.db2.gz ZYVLNXIDIZNDTP-VUCTXSBTSA-N 0 3 288.391 3.029 20 30 CGEDHN C=CCC1(NCc2cn(C(C)C)nn2)CCCCC1 ZINC000449575811 373833552 /nfs/dbraw/zinc/83/35/52/373833552.db2.gz OFWOONGSSBVEES-UHFFFAOYSA-N 0 3 262.401 3.228 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2c(F)cccc2-n2cccn2)C1 ZINC000449691773 373842149 /nfs/dbraw/zinc/84/21/49/373842149.db2.gz YFSPLNRMGHFKBE-KBPBESRZSA-N 0 3 298.365 3.183 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cc2cc(C)c(C)cc2o1 ZINC000449696685 373844157 /nfs/dbraw/zinc/84/41/57/373844157.db2.gz IXEHEUNPLQBLCX-HNNXBMFYSA-N 0 3 273.376 3.466 20 30 CGEDHN C=CCCCC[C@H](C)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449724333 373855661 /nfs/dbraw/zinc/85/56/61/373855661.db2.gz YDJIPKRGVYRFMJ-ZDUSSCGKSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCCC[C@H](C)NCc1nc(-c2ccccn2)n[nH]1 ZINC000449724333 373855671 /nfs/dbraw/zinc/85/56/71/373855671.db2.gz YDJIPKRGVYRFMJ-ZDUSSCGKSA-N 0 3 285.395 3.091 20 30 CGEDHN CN(C)[C@@H](CNc1c(C#N)cccc1C#N)c1cccs1 ZINC000302390615 373859728 /nfs/dbraw/zinc/85/97/28/373859728.db2.gz BOARHRQXGNJNKF-AWEZNQCLSA-N 0 3 296.399 3.206 20 30 CGEDHN CC(C)[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000449734755 373861132 /nfs/dbraw/zinc/86/11/32/373861132.db2.gz DHHGWFAXBJSRNX-UKRRQHHQSA-N 0 3 278.396 3.317 20 30 CGEDHN C=C(CC)CNCc1ccc(OCc2noc(C)n2)cc1 ZINC000449735763 373863612 /nfs/dbraw/zinc/86/36/12/373863612.db2.gz UXTIULAOYNBVCH-UHFFFAOYSA-N 0 3 287.363 3.013 20 30 CGEDHN N#CC1(CN(C[C@H]2CCCO2)C2CCCC2)CCC1 ZINC000450437046 374129036 /nfs/dbraw/zinc/12/90/36/374129036.db2.gz KHDIPEHZLPQZJF-OAHLLOKOSA-N 0 3 262.397 3.104 20 30 CGEDHN N#CCCCN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181233238 374096888 /nfs/dbraw/zinc/09/68/88/374096888.db2.gz NZNOJHSTIUCDRS-GDBMZVCRSA-N 0 3 258.365 3.048 20 30 CGEDHN CN(CC1(C#N)CCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000450450923 374137954 /nfs/dbraw/zinc/13/79/54/374137954.db2.gz GGZOEDGGRWKOEC-GOSISDBHSA-N 0 3 297.446 3.277 20 30 CGEDHN Cc1cc(C#N)cc(NC2CCN(c3ccncc3)CC2)c1 ZINC000308112328 374160529 /nfs/dbraw/zinc/16/05/29/374160529.db2.gz ZJUZICKTBYHMPY-UHFFFAOYSA-N 0 3 292.386 3.343 20 30 CGEDHN Cc1cc(C#N)cc(N[C@@H](C)CN(C)Cc2ccccc2)n1 ZINC000309832726 374199590 /nfs/dbraw/zinc/19/95/90/374199590.db2.gz SQUXQHPEVJXVGP-HNNXBMFYSA-N 0 3 294.402 3.194 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000182344832 374260814 /nfs/dbraw/zinc/26/08/14/374260814.db2.gz LDQVAPGEJSKEDX-RHSMWYFYSA-N 0 3 286.419 3.341 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000320377726 374351338 /nfs/dbraw/zinc/35/13/38/374351338.db2.gz KLJQYJINRBHRQK-JQWIXIFHSA-N 0 3 271.763 3.457 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453348112 374439234 /nfs/dbraw/zinc/43/92/34/374439234.db2.gz KTGLYGJMUURRIK-LYRGGWFBSA-N 0 3 274.339 3.082 20 30 CGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)c1nccs1 ZINC000183945197 374475980 /nfs/dbraw/zinc/47/59/80/374475980.db2.gz BKHHLSSNCAPPSR-LBPRGKRZSA-N 0 3 271.389 3.250 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000185208428 374611376 /nfs/dbraw/zinc/61/13/76/374611376.db2.gz TZLXJJABGMLFAB-CQSZACIVSA-N 0 3 290.407 3.168 20 30 CGEDHN CC(C)(C)Oc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000185893027 374761080 /nfs/dbraw/zinc/76/10/80/374761080.db2.gz SVSHLDRQRWMTQD-ZFWWWQNUSA-N 0 3 287.407 3.431 20 30 CGEDHN CCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1F ZINC000185814605 374742417 /nfs/dbraw/zinc/74/24/17/374742417.db2.gz HYZVCTOBYYJDLF-JSGCOSHPSA-N 0 3 276.355 3.396 20 30 CGEDHN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(C)C#N)CC2 ZINC000334540370 374836208 /nfs/dbraw/zinc/83/62/08/374836208.db2.gz VLFGJGVRUFPQRO-ABAIWWIYSA-N 0 3 256.349 3.073 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000186691090 374900435 /nfs/dbraw/zinc/90/04/35/374900435.db2.gz DASDSULENDBOJP-PWSUYJOCSA-N 0 3 282.453 3.337 20 30 CGEDHN C=CCOc1ccccc1CNCCc1cccc(C#N)c1 ZINC000466424406 374965325 /nfs/dbraw/zinc/96/53/25/374965325.db2.gz WCBCXESXULNORM-UHFFFAOYSA-N 0 3 292.382 3.455 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129635231 296225806 /nfs/dbraw/zinc/22/58/06/296225806.db2.gz LVRZUHLPYWLYQA-MPGHIAIKSA-N 0 3 294.402 3.399 20 30 CGEDHN CC(C#N)C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000335143074 375168661 /nfs/dbraw/zinc/16/86/61/375168661.db2.gz HLZPDAKLAGDGSO-QMMMGPOBSA-N 0 3 283.158 3.038 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000335149453 375176620 /nfs/dbraw/zinc/17/66/20/375176620.db2.gz PRQYFLCNXMOEAJ-QMMMGPOBSA-N 0 3 271.147 3.111 20 30 CGEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485622225 375192711 /nfs/dbraw/zinc/19/27/11/375192711.db2.gz IXVVPQGLEDQGFC-DZUCGIPZSA-N 0 3 282.387 3.331 20 30 CGEDHN C=C1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000335188729 375210971 /nfs/dbraw/zinc/21/09/71/375210971.db2.gz ITTWFLCSOOZRQT-UHFFFAOYSA-N 0 3 298.430 3.465 20 30 CGEDHN Cc1cc(CN2CC[C@H](c3cccnc3)C2)ccc1C#N ZINC000335419833 375279071 /nfs/dbraw/zinc/27/90/71/375279071.db2.gz ZQLYSXTWYPECTB-SFHVURJKSA-N 0 3 277.371 3.251 20 30 CGEDHN COCCN(CC#Cc1ccccc1)[C@@H]1CCC[C@H]1C ZINC000487966966 375289679 /nfs/dbraw/zinc/28/96/79/375289679.db2.gz YEVVWGIFSBQBOE-SJLPKXTDSA-N 0 3 271.404 3.175 20 30 CGEDHN N#Cc1ccc(F)cc1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335377126 375267012 /nfs/dbraw/zinc/26/70/12/375267012.db2.gz AHRYZEICLOHFSO-RHSMWYFYSA-N 0 3 288.366 3.088 20 30 CGEDHN CC1=C(c2ccco2)CN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000335767437 375413433 /nfs/dbraw/zinc/41/34/33/375413433.db2.gz MPMXVBCUSJCTKV-KBPBESRZSA-N 0 3 256.349 3.451 20 30 CGEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(OC)cc1 ZINC000189584504 375418337 /nfs/dbraw/zinc/41/83/37/375418337.db2.gz GTRBAGHRPMALCJ-KRWDZBQOSA-N 0 3 283.375 3.146 20 30 CGEDHN Cc1ccn(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000190786430 375538905 /nfs/dbraw/zinc/53/89/05/375538905.db2.gz ZOVCWVUDKPBHAT-LLVKDONJSA-N 0 3 287.388 3.404 20 30 CGEDHN Cc1ccn(C)c1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000190786430 375538910 /nfs/dbraw/zinc/53/89/10/375538910.db2.gz ZOVCWVUDKPBHAT-LLVKDONJSA-N 0 3 287.388 3.404 20 30 CGEDHN CCCOCc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190790086 375539557 /nfs/dbraw/zinc/53/95/57/375539557.db2.gz XWUCZGIRALIMOI-UHFFFAOYSA-N 0 3 297.402 3.113 20 30 CGEDHN C=CCN(C)CCOc1ccc(Cl)cc1Cl ZINC000494644267 375490016 /nfs/dbraw/zinc/49/00/16/375490016.db2.gz ZYUYGALHJQHNBJ-UHFFFAOYSA-N 0 3 260.164 3.490 20 30 CGEDHN CN(Cc1cc(C#N)n(C)c1)[C@H]1CCc2ccccc21 ZINC000191207820 375594700 /nfs/dbraw/zinc/59/47/00/375594700.db2.gz ZPUKJOGLZCNNPD-KRWDZBQOSA-N 0 3 265.360 3.016 20 30 CGEDHN COc1ccc([C@@H](C)N(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191209875 375597244 /nfs/dbraw/zinc/59/72/44/375597244.db2.gz PMBPTTNZTVIFIC-CYBMUJFWSA-N 0 3 283.375 3.098 20 30 CGEDHN CCS[C@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191355532 375616181 /nfs/dbraw/zinc/61/61/81/375616181.db2.gz GWMSBTFCYKSZAD-HNNXBMFYSA-N 0 3 277.437 3.004 20 30 CGEDHN C=CCOCCCN1CC[C@](F)(c2ccccc2C)C1 ZINC000502952356 375648108 /nfs/dbraw/zinc/64/81/08/375648108.db2.gz LDWFYEHVTVENON-QGZVFWFLSA-N 0 3 277.383 3.458 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000505842754 375661690 /nfs/dbraw/zinc/66/16/90/375661690.db2.gz PNIQOOXAKMLMCI-CYBMUJFWSA-N 0 3 275.392 3.417 20 30 CGEDHN OCCC[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000192158625 375703968 /nfs/dbraw/zinc/70/39/68/375703968.db2.gz XROVVFCSDLAEGQ-IBGZPJMESA-N 0 3 279.383 3.142 20 30 CGEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000192186134 375707988 /nfs/dbraw/zinc/70/79/88/375707988.db2.gz SYMRJQCWZZSHIM-QAPCUYQASA-N 0 3 277.367 3.192 20 30 CGEDHN C=C(C)CN(CCCCC)Cc1ccc(CO)o1 ZINC000512147574 375794674 /nfs/dbraw/zinc/79/46/74/375794674.db2.gz LHSDFFRWJOCMEM-UHFFFAOYSA-N 0 3 251.370 3.340 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000336393804 375787445 /nfs/dbraw/zinc/78/74/45/375787445.db2.gz LUUOKVDCVCXCQA-QMMMGPOBSA-N 0 3 271.147 3.111 20 30 CGEDHN C=CCC1(NCc2coc(S(C)(=O)=O)c2)CCCCC1 ZINC000528709769 375908725 /nfs/dbraw/zinc/90/87/25/375908725.db2.gz XZMQEGNWVQHJSV-UHFFFAOYSA-N 0 3 297.420 3.052 20 30 CGEDHN C=CCN(C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000529549172 375928554 /nfs/dbraw/zinc/92/85/54/375928554.db2.gz GRCBTIJACZYDAY-UHFFFAOYSA-N 0 3 259.271 3.332 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000529947122 375936918 /nfs/dbraw/zinc/93/69/18/375936918.db2.gz IQCBXYPGEIALOL-BXUZGUMPSA-N 0 3 274.339 3.080 20 30 CGEDHN COC(=O)c1cccc(CN2CCC[C@H]2C2CCC2)c1C#N ZINC000535204624 376029043 /nfs/dbraw/zinc/02/90/43/376029043.db2.gz DMBIPQFADUKZAZ-KRWDZBQOSA-N 0 3 298.386 3.109 20 30 CGEDHN Cc1cccc2oc(CCNCc3cc(C#N)cs3)nc21 ZINC000337140583 376096081 /nfs/dbraw/zinc/09/60/81/376096081.db2.gz UKPIMHSXCZZAOS-UHFFFAOYSA-N 0 3 297.383 3.402 20 30 CGEDHN C=CCN1CC[C@H](N2CCCC[C@H]2CCC(C)C)C1=O ZINC000337176078 376116088 /nfs/dbraw/zinc/11/60/88/376116088.db2.gz IMKZWLLYFLHJTL-HOTGVXAUSA-N 0 3 278.440 3.064 20 30 CGEDHN N#Cc1ccc(CN(CCc2ccncc2)C2CC2)cc1 ZINC000194967343 376064285 /nfs/dbraw/zinc/06/42/85/376064285.db2.gz YLRKPXOFXUMCBP-UHFFFAOYSA-N 0 3 277.371 3.160 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000337197731 376130788 /nfs/dbraw/zinc/13/07/88/376130788.db2.gz YXNHTTRQBCXUHE-KSSFIOAISA-N 0 3 298.430 3.003 20 30 CGEDHN C=CCCN1CCN(Cc2ccccc2Cl)CC1 ZINC000337244472 376160903 /nfs/dbraw/zinc/16/09/03/376160903.db2.gz IBLGVBSCQTVDPL-UHFFFAOYSA-N 0 3 264.800 3.034 20 30 CGEDHN N#Cc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000218102123 376185144 /nfs/dbraw/zinc/18/51/44/376185144.db2.gz IAZDBOKIELOQGX-UHFFFAOYSA-N 0 3 261.328 3.329 20 30 CGEDHN C=CCCN1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000337275963 376185894 /nfs/dbraw/zinc/18/58/94/376185894.db2.gz QNKITVKNOUAISU-UHFFFAOYSA-N 0 3 294.826 3.042 20 30 CGEDHN C=C(CC)CN(CCOC)CCOc1ccc(F)cc1 ZINC000538001851 376217775 /nfs/dbraw/zinc/21/77/75/376217775.db2.gz FRRQKQMEAQNEKO-UHFFFAOYSA-N 0 3 281.371 3.119 20 30 CGEDHN C=C(CC)CNC1(C(=O)N(CC)CC)CCCCC1 ZINC000538013867 376219090 /nfs/dbraw/zinc/21/90/90/376219090.db2.gz KBJVXFOVRBLWQJ-UHFFFAOYSA-N 0 3 266.429 3.114 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000337495962 376223773 /nfs/dbraw/zinc/22/37/73/376223773.db2.gz YIODKZTVLXDLBB-CQSZACIVSA-N 0 3 277.412 3.242 20 30 CGEDHN CCC[C@H](C)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000538307347 376231969 /nfs/dbraw/zinc/23/19/69/376231969.db2.gz OXHLGDBKDYBTHZ-FUHWJXTLSA-N 0 3 285.435 3.305 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@]1(C)CCCc2ccccc21 ZINC000539807750 376333291 /nfs/dbraw/zinc/33/32/91/376333291.db2.gz HSEGTFHTAJZHCJ-IBGZPJMESA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539197109 376297540 /nfs/dbraw/zinc/29/75/40/376297540.db2.gz LNTZZGIEPYGLCD-KRWDZBQOSA-N 0 3 297.446 3.421 20 30 CGEDHN C=CCCCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000541699894 376473244 /nfs/dbraw/zinc/47/32/44/376473244.db2.gz OEODZLOILHSKAA-KRWDZBQOSA-N 0 3 259.393 3.286 20 30 CGEDHN COc1cc(CN[C@H](C)c2ccccc2)ccc1C#N ZINC000234950338 376627542 /nfs/dbraw/zinc/62/75/42/376627542.db2.gz IYCSYTFVQJQBNU-CYBMUJFWSA-N 0 3 266.344 3.418 20 30 CGEDHN CC(C)(C)CCN1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000544070899 376699760 /nfs/dbraw/zinc/69/97/60/376699760.db2.gz NZZHPTSCOIQTGX-UHFFFAOYSA-N 0 3 299.462 3.306 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncnc3ccccc32)CC1 ZINC000264514166 190115495 /nfs/dbraw/zinc/11/54/95/190115495.db2.gz URSWDOJOMYLRLN-UHFFFAOYSA-N 0 3 282.391 3.082 20 30 CGEDHN CC(C)(CO)[C@@H](NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000339724718 376824826 /nfs/dbraw/zinc/82/48/26/376824826.db2.gz LCKXIIZNXMZYFR-HNNXBMFYSA-N 0 3 292.810 3.098 20 30 CGEDHN COc1ccc(CN2CC[C@@H]2Cc2ccccc2)cc1C#N ZINC000340196614 376946542 /nfs/dbraw/zinc/94/65/42/376946542.db2.gz YQIRHUUVWCSXEG-GOSISDBHSA-N 0 3 292.382 3.384 20 30 CGEDHN COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)ccn1 ZINC000340461520 377074221 /nfs/dbraw/zinc/07/42/21/377074221.db2.gz JEWSJCXLBNJHIX-OLZOCXBDSA-N 0 3 281.359 3.374 20 30 CGEDHN C[C@H](CCc1ccc(F)cc1F)NCC1(C#N)CC1 ZINC000561962431 377257469 /nfs/dbraw/zinc/25/74/69/377257469.db2.gz XRVDVBXNEUFFKN-LLVKDONJSA-N 0 3 264.319 3.179 20 30 CGEDHN C=CCCCNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000562504293 377319822 /nfs/dbraw/zinc/31/98/22/377319822.db2.gz POHNMNJPGZFBFY-UHFFFAOYSA-N 0 3 294.761 3.116 20 30 CGEDHN COc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000562303681 377292901 /nfs/dbraw/zinc/29/29/01/377292901.db2.gz JWDPVMCMUGEUDN-PWSUYJOCSA-N 0 3 296.317 3.078 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000248401795 377308847 /nfs/dbraw/zinc/30/88/47/377308847.db2.gz SUGIAEJHDQAHEY-OIISXLGYSA-N 0 3 271.408 3.104 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCCC[C@H]1O ZINC000562442594 377309092 /nfs/dbraw/zinc/30/90/92/377309092.db2.gz UWVRDLSNEFYXIN-FUHWJXTLSA-N 0 3 289.419 3.234 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)cc1F ZINC000248883506 377420718 /nfs/dbraw/zinc/42/07/18/377420718.db2.gz QCVPMGNPARYFOU-XJKSGUPXSA-N 0 3 258.340 3.462 20 30 CGEDHN C#CCCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000264968916 190148587 /nfs/dbraw/zinc/14/85/87/190148587.db2.gz QEANZAFTRCZAMP-SNVBAGLBSA-N 0 3 263.291 3.105 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000248800109 377402300 /nfs/dbraw/zinc/40/23/00/377402300.db2.gz JOVBJMINIJTDKI-NEWSRXKRSA-N 0 3 297.446 3.495 20 30 CGEDHN C=CCNC(=O)CN([C@H](C)c1ccccc1)C1CCCC1 ZINC000565742363 377489404 /nfs/dbraw/zinc/48/94/04/377489404.db2.gz CJOLUUIAESUQHQ-OAHLLOKOSA-N 0 3 286.419 3.294 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000566836776 377500577 /nfs/dbraw/zinc/50/05/77/377500577.db2.gz TXBPDCOIMGJIET-MRXNPFEDSA-N 0 3 290.451 3.210 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000249509744 377510562 /nfs/dbraw/zinc/51/05/62/377510562.db2.gz NGNITJBJWDXNFO-SOUVJXGZSA-N 0 3 266.429 3.062 20 30 CGEDHN Cc1cc(NC[C@H](c2ccco2)N2CCCC2)cc(C#N)n1 ZINC000341369049 377534106 /nfs/dbraw/zinc/53/41/06/377534106.db2.gz XMHIAVKJOSIKNP-MRXNPFEDSA-N 0 3 296.374 3.104 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(C2CCCC2)c1 ZINC000570199667 377534611 /nfs/dbraw/zinc/53/46/11/377534611.db2.gz PIACZHHYBRJKTK-VNHYZAJKSA-N 0 3 272.396 3.341 20 30 CGEDHN CCn1cc(CN(C)CCCCC(C)(C)C#N)cn1 ZINC000572006665 377544364 /nfs/dbraw/zinc/54/43/64/377544364.db2.gz QMLHCAITFNPCAV-UHFFFAOYSA-N 0 3 262.401 3.055 20 30 CGEDHN C=CCCCCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000573654439 377558273 /nfs/dbraw/zinc/55/82/73/377558273.db2.gz MEZGUSXCRWKJSO-SFHVURJKSA-N 0 3 265.422 3.212 20 30 CGEDHN CCCCN(C(=O)C(C)C#N)[C@@H]1CCC[C@H](C)C1 ZINC000573993940 377604530 /nfs/dbraw/zinc/60/45/30/377604530.db2.gz SCBBGVTURDTXFG-BFHYXJOUSA-N 0 3 250.386 3.353 20 30 CGEDHN Cc1cc(CN2CC(C)(C)[C@H]2C2CC2)ccc1C#N ZINC000574446020 377663834 /nfs/dbraw/zinc/66/38/34/377663834.db2.gz XOHYPOLKCGVEQR-MRXNPFEDSA-N 0 3 254.377 3.487 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000342719368 377753740 /nfs/dbraw/zinc/75/37/40/377753740.db2.gz IRVSNIUCBPAEMA-KBPBESRZSA-N 0 3 292.448 3.308 20 30 CGEDHN C=CCCN(C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000342727496 377758393 /nfs/dbraw/zinc/75/83/93/377758393.db2.gz UNYGFHSUGUODFS-OAHLLOKOSA-N 0 3 292.810 3.343 20 30 CGEDHN CC[C@H](C)N[C@H](CNc1cccc(C#N)n1)c1ccco1 ZINC000343255619 377941336 /nfs/dbraw/zinc/94/13/36/377941336.db2.gz VNJZNPUULAELFI-GXTWGEPZSA-N 0 3 284.363 3.088 20 30 CGEDHN CCN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000343269400 377943601 /nfs/dbraw/zinc/94/36/01/377943601.db2.gz YINDSIJNNMWZFU-LLVKDONJSA-N 0 3 297.324 3.107 20 30 CGEDHN COc1ccccc1CN(CCCCC#N)C1CC1 ZINC000263815807 377950812 /nfs/dbraw/zinc/95/08/12/377950812.db2.gz OMGUPOJEKXNVQS-UHFFFAOYSA-N 0 3 258.365 3.353 20 30 CGEDHN Cc1ccc([C@@H](C)NCCc2cccc(C#N)c2)o1 ZINC000343629280 378047901 /nfs/dbraw/zinc/04/79/01/378047901.db2.gz YCPRBRQDOZFYQA-CYBMUJFWSA-N 0 3 254.333 3.353 20 30 CGEDHN CC(C)N(Cc1cccc(Cl)c1)C(=O)C(C)C#N ZINC000343642505 378050843 /nfs/dbraw/zinc/05/08/43/378050843.db2.gz STYMTGTWYFVUQF-LLVKDONJSA-N 0 3 264.756 3.237 20 30 CGEDHN CCc1ccc([C@H](CO)NCc2ccc(CC#N)cc2)cc1 ZINC000343682832 378064351 /nfs/dbraw/zinc/06/43/51/378064351.db2.gz HCTAIIIXXHLYIR-IBGZPJMESA-N 0 3 294.398 3.138 20 30 CGEDHN CC(C)[C@@H](C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000578450387 378071263 /nfs/dbraw/zinc/07/12/63/378071263.db2.gz YCEFLEUVCAZENI-PBHICJAKSA-N 0 3 299.418 3.030 20 30 CGEDHN N#Cc1csc(CNCc2cc3ccccc3[nH]2)c1 ZINC000343848344 378113198 /nfs/dbraw/zinc/11/31/98/378113198.db2.gz GZCCKLBLVBFOIU-UHFFFAOYSA-N 0 3 267.357 3.391 20 30 CGEDHN COc1ccc2c(c1F)CC[C@@H]2NCC1(CC#N)CC1 ZINC000344001988 378150926 /nfs/dbraw/zinc/15/09/26/378150926.db2.gz CDZQXIKRGDAOOB-ZDUSSCGKSA-N 0 3 274.339 3.105 20 30 CGEDHN C[C@@H](N[C@@H]1COc2cc(F)ccc2C1)c1ccc(C#N)cc1 ZINC000580964089 378272871 /nfs/dbraw/zinc/27/28/71/378272871.db2.gz XWUNZIAORKISMZ-PXAZEXFGSA-N 0 3 296.345 3.352 20 30 CGEDHN Cc1ccccc1C[C@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000580781987 378258152 /nfs/dbraw/zinc/25/81/52/378258152.db2.gz PDEQOOCQNRESNQ-LJQANCHMSA-N 0 3 291.398 3.469 20 30 CGEDHN C[C@@H](C1CC1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000583477709 378324603 /nfs/dbraw/zinc/32/46/03/378324603.db2.gz HTGVZEFDPZGURB-BBRMVZONSA-N 0 3 270.376 3.016 20 30 CGEDHN C[C@H](O)[C@@H](NCC(C)(C)CCC#N)c1ccccc1F ZINC000583757228 378344270 /nfs/dbraw/zinc/34/42/70/378344270.db2.gz JKDJVYGHHZGPEL-SWLSCSKDSA-N 0 3 278.371 3.167 20 30 CGEDHN C#CCCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000270534561 378365967 /nfs/dbraw/zinc/36/59/67/378365967.db2.gz GGCZDFMGKPPLHM-KRWDZBQOSA-N 0 3 285.412 3.307 20 30 CGEDHN C[C@@H]1CCc2nc(CNCCCCC#N)sc2C1 ZINC000345845563 378385682 /nfs/dbraw/zinc/38/56/82/378385682.db2.gz HYXGPBGBGGIGKK-LLVKDONJSA-N 0 3 263.410 3.051 20 30 CGEDHN CCN(CCn1ccnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000270678597 378388038 /nfs/dbraw/zinc/38/80/38/378388038.db2.gz UCKVJCSDJRTSBV-CQSZACIVSA-N 0 3 282.391 3.146 20 30 CGEDHN C#CCCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000271027211 378432056 /nfs/dbraw/zinc/43/20/56/378432056.db2.gz KKHAJOSHRDAMLV-OAHLLOKOSA-N 0 3 273.351 3.134 20 30 CGEDHN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000271457208 378492734 /nfs/dbraw/zinc/49/27/34/378492734.db2.gz JNAUPPAPXIFQGG-UONOGXRCSA-N 0 3 298.390 3.217 20 30 CGEDHN C[C@H](NCCc1nccs1)c1ccc(C#N)c(F)c1 ZINC000271964689 378532103 /nfs/dbraw/zinc/53/21/03/378532103.db2.gz SKGLXSWPPVLZQF-JTQLQIEISA-N 0 3 275.352 3.047 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC2CCN(CC(C)C)CC2)c1 ZINC000272612537 378676395 /nfs/dbraw/zinc/67/63/95/378676395.db2.gz ZRYPWRULBXUHCX-UHFFFAOYSA-N 0 3 299.418 3.293 20 30 CGEDHN CC(C)CN(CCCC#N)Cc1ccc(C#N)cc1 ZINC000346773669 378687095 /nfs/dbraw/zinc/68/70/95/378687095.db2.gz CGNUJNGNDBHQII-UHFFFAOYSA-N 0 3 255.365 3.320 20 30 CGEDHN C[C@]1(NCC#Cc2cccc(Cl)c2)CCO[C@H]1C1CC1 ZINC000273086715 378736351 /nfs/dbraw/zinc/73/63/51/378736351.db2.gz RTVYZXLSIWBMFG-IRXDYDNUSA-N 0 3 289.806 3.239 20 30 CGEDHN C=C(CC)CN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347359165 378717984 /nfs/dbraw/zinc/71/79/84/378717984.db2.gz WFIKYGLTERSGPZ-HUUCEWRRSA-N 0 3 277.433 3.453 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1c(F)cccc1F ZINC000348044567 378764169 /nfs/dbraw/zinc/76/41/69/378764169.db2.gz BEKNHGAGYDKTIB-NSHDSACASA-N 0 3 255.308 3.208 20 30 CGEDHN C=CCOCCCNC1(c2nccs2)CCCC1 ZINC000348048025 378766851 /nfs/dbraw/zinc/76/68/51/378766851.db2.gz GZFFQEANKSSREB-UHFFFAOYSA-N 0 3 266.410 3.095 20 30 CGEDHN CN1CC=C(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000274210079 378793299 /nfs/dbraw/zinc/79/32/99/378793299.db2.gz KUELCBUQXBPMRL-UHFFFAOYSA-N 0 3 295.308 3.251 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000274293766 378804635 /nfs/dbraw/zinc/80/46/35/378804635.db2.gz PLVXEELUURBPBD-CYBMUJFWSA-N 0 3 260.381 3.289 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000274780443 378893970 /nfs/dbraw/zinc/89/39/70/378893970.db2.gz KQODORXEDPGGGX-UHFFFAOYSA-N 0 3 288.391 3.159 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccc(C#N)cc1F ZINC000348389671 378938251 /nfs/dbraw/zinc/93/82/51/378938251.db2.gz GXUREEUPFNISSO-MVWJERBFSA-N 0 3 250.292 3.239 20 30 CGEDHN CC[C@@H](C)CN(CC)Cc1ccc(C#N)cc1OC ZINC000347254794 218171168 /nfs/dbraw/zinc/17/11/68/218171168.db2.gz JQBOBRZPPNNATJ-CYBMUJFWSA-N 0 3 260.381 3.435 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1F)[C@@H]1COc2ccccc21 ZINC000348759517 379043024 /nfs/dbraw/zinc/04/30/24/379043024.db2.gz BGQZKXFZJJMCJE-LRDDRELGSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000370809569 379072794 /nfs/dbraw/zinc/07/27/94/379072794.db2.gz INDXOPWHYHMXQI-KRWDZBQOSA-N 0 3 286.419 3.124 20 30 CGEDHN CC1CCN(CCCNc2nc(Cl)c(C#N)s2)CC1 ZINC000278797486 194159662 /nfs/dbraw/zinc/15/96/62/194159662.db2.gz XSIXUDZYCPTXQS-UHFFFAOYSA-N 0 3 298.843 3.202 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ccns1 ZINC000639267251 379213154 /nfs/dbraw/zinc/21/31/54/379213154.db2.gz WUCHVCLQBWTABY-CQSZACIVSA-N 0 3 258.390 3.420 20 30 CGEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374482433 379445413 /nfs/dbraw/zinc/44/54/13/379445413.db2.gz RZQDVMHPAOBFMQ-MOPGFXCFSA-N 0 3 292.382 3.426 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000280909109 379810141 /nfs/dbraw/zinc/81/01/41/379810141.db2.gz RZJWZPUMGSLIEB-HUBLWGQQSA-N 0 3 280.799 3.367 20 30 CGEDHN N#CC1(F)CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000352483972 379832072 /nfs/dbraw/zinc/83/20/72/379832072.db2.gz JZUWEZWTKPFVFH-OAHLLOKOSA-N 0 3 258.340 3.392 20 30 CGEDHN C=CC[C@H](CC)NCc1cc(OC)c(OC)cc1OC ZINC000281368375 379832649 /nfs/dbraw/zinc/83/26/49/379832649.db2.gz NPYBFHVOIPXIMD-ZDUSSCGKSA-N 0 3 279.380 3.157 20 30 CGEDHN C[C@H]1CC(C)(C)CC[C@@H]1NCc1nc(C#N)cs1 ZINC000352811762 379975795 /nfs/dbraw/zinc/97/57/95/379975795.db2.gz UDJPCQMXCOOHNY-JQWIXIFHSA-N 0 3 263.410 3.319 20 30 CGEDHN Cc1cccc2c(CCNCc3nc(C#N)cs3)c[nH]c21 ZINC000352838152 379992896 /nfs/dbraw/zinc/99/28/96/379992896.db2.gz QMODYVKNADBRHO-UHFFFAOYSA-N 0 3 296.399 3.137 20 30 CGEDHN CC(C)SCCNC1(c2cccc(C#N)c2)CC1 ZINC000283152812 380040972 /nfs/dbraw/zinc/04/09/72/380040972.db2.gz ONIPNHLCZSMUCM-UHFFFAOYSA-N 0 3 260.406 3.279 20 30 CGEDHN CCN1C[C@@H](C)N(CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411428653 380146523 /nfs/dbraw/zinc/14/65/23/380146523.db2.gz QEQYIIHRYAACMN-JKSUJKDBSA-N 0 3 277.456 3.265 20 30 CGEDHN C=CCC[C@H](NCC(=O)N(C)C(C)C)c1ccccc1 ZINC000411468765 380146547 /nfs/dbraw/zinc/14/65/47/380146547.db2.gz CVFWVFSEOQHTBT-INIZCTEOSA-N 0 3 274.408 3.150 20 30 CGEDHN C[C@H]1C[C@@H](Nc2ncccc2C#N)CN1Cc1ccccc1 ZINC000268117714 190378448 /nfs/dbraw/zinc/37/84/48/190378448.db2.gz FDVFQMPTBKRCJH-WMLDXEAASA-N 0 3 292.386 3.028 20 30 CGEDHN COCCN(CCCCCF)Cc1ccc(C#N)cc1 ZINC000284116620 380127884 /nfs/dbraw/zinc/12/78/84/380127884.db2.gz NJQAEBCDUAMMAW-UHFFFAOYSA-N 0 3 278.371 3.146 20 30 CGEDHN COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000353238208 380182079 /nfs/dbraw/zinc/18/20/79/380182079.db2.gz GNPYYEQWGZGRFW-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000411558949 380152122 /nfs/dbraw/zinc/15/21/22/380152122.db2.gz MSUFDCHEXMSMKE-PBHICJAKSA-N 0 3 270.376 3.200 20 30 CGEDHN CCn1cc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353913732 380231352 /nfs/dbraw/zinc/23/13/52/380231352.db2.gz IYUNUJOFJBLSCI-QGZVFWFLSA-N 0 3 282.391 3.428 20 30 CGEDHN C=CCC[C@H](NCCc1cc(C)no1)c1ccco1 ZINC000353996714 380270931 /nfs/dbraw/zinc/27/09/31/380270931.db2.gz PLMFGZQXCKLBAA-AWEZNQCLSA-N 0 3 260.337 3.416 20 30 CGEDHN C=CCCC1(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000354559692 380485505 /nfs/dbraw/zinc/48/55/05/380485505.db2.gz BIPBEARJOGFVDC-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415998132 380518541 /nfs/dbraw/zinc/51/85/41/380518541.db2.gz RENZTQJUSBIGJV-UHFFFAOYSA-N 0 3 287.407 3.500 20 30 CGEDHN C=C(CNC[C@@H](O)COc1ccc(C)cc1)c1ccccc1 ZINC000644647380 380469763 /nfs/dbraw/zinc/46/97/63/380469763.db2.gz SWHFDVOVKKWDFR-GOSISDBHSA-N 0 3 297.398 3.038 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416223187 380524848 /nfs/dbraw/zinc/52/48/48/380524848.db2.gz OKXJQBHZROWKSM-IAGOWNOFSA-N 0 3 286.419 3.247 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(C)CCC(C)(C)C)CC1 ZINC000645212415 380619015 /nfs/dbraw/zinc/61/90/15/380619015.db2.gz IGZCVPORAARANG-UHFFFAOYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=C(C)CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418242302 380714881 /nfs/dbraw/zinc/71/48/81/380714881.db2.gz LRNTVIULDVGFGF-KRWDZBQOSA-N 0 3 297.402 3.105 20 30 CGEDHN CC(C(=O)Nc1cc(C#N)ccc1NC1CC1)C(F)(F)F ZINC000355657136 380738621 /nfs/dbraw/zinc/73/86/21/380738621.db2.gz UJPSKHUNTRYCGE-MRVPVSSYSA-N 0 3 297.280 3.269 20 30 CGEDHN CCN(Cc1nc(C#N)cs1)[C@H]1CCCC[C@@H]1C ZINC000419248251 380788207 /nfs/dbraw/zinc/78/82/07/380788207.db2.gz CNCVHEPSPOOFNB-AAEUAGOBSA-N 0 3 263.410 3.415 20 30 CGEDHN C=CCCCNCc1nc2ccc(Cl)cc2n1C ZINC000279194227 194326211 /nfs/dbraw/zinc/32/62/11/194326211.db2.gz UGHZTELHAVOEEJ-UHFFFAOYSA-N 0 3 263.772 3.283 20 30 CGEDHN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)[C@H]1C ZINC000419375982 380820198 /nfs/dbraw/zinc/82/01/98/380820198.db2.gz SJCDUSHMEQVIKD-AGIUHOORSA-N 0 3 296.374 3.085 20 30 CGEDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCC(C)(C)C#N ZINC000420929271 380864060 /nfs/dbraw/zinc/86/40/60/380864060.db2.gz QHDSCGOONLYXMX-KBPBESRZSA-N 0 3 294.439 3.368 20 30 CGEDHN CCN(CCOc1ccccc1C)[C@H](C)CCC#N ZINC000420971381 380865862 /nfs/dbraw/zinc/86/58/62/380865862.db2.gz HWCPZLCDWYPEOA-OAHLLOKOSA-N 0 3 260.381 3.388 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1C[C@@H](O)C1 ZINC000420897731 380860781 /nfs/dbraw/zinc/86/07/81/380860781.db2.gz DAMGGJGUKAPCEH-PHIMTYICSA-N 0 3 271.813 3.160 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(SC)c(OC)c1 ZINC000279287530 194369236 /nfs/dbraw/zinc/36/92/36/194369236.db2.gz PCKWDIXYMQQKPT-UHFFFAOYSA-N 0 3 263.406 3.261 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2cccnc2C#N)CN1Cc1ccccc1 ZINC000357533046 381198715 /nfs/dbraw/zinc/19/87/15/381198715.db2.gz PKYVOFYHWBCELL-GDBMZVCRSA-N 0 3 292.386 3.028 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000358026727 381288298 /nfs/dbraw/zinc/28/82/98/381288298.db2.gz QTGJDEJIXLVZOU-NSHDSACASA-N 0 3 299.411 3.413 20 30 CGEDHN CC#CCCCC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000359547012 381351831 /nfs/dbraw/zinc/35/18/31/381351831.db2.gz RFDLPHYTQOGYIZ-CABCVRRESA-N 0 3 290.407 3.019 20 30 CGEDHN C=CCN1CCC(NCc2ccsc2Cl)CC1 ZINC000359733845 381365035 /nfs/dbraw/zinc/36/50/35/381365035.db2.gz IKYVHHTXWOCRNO-UHFFFAOYSA-N 0 3 270.829 3.142 20 30 CGEDHN C[C@H](NCc1ccc(Cl)cc1C#N)[C@@H]1CCCOC1 ZINC000360232450 381490432 /nfs/dbraw/zinc/49/04/32/381490432.db2.gz AKSFYDSMADMEMN-WCQYABFASA-N 0 3 278.783 3.116 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000360738553 381624143 /nfs/dbraw/zinc/62/41/43/381624143.db2.gz LZQLBFDGWBTJLZ-OLZOCXBDSA-N 0 3 295.342 3.211 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)CCC(C)C ZINC000361317265 381692680 /nfs/dbraw/zinc/69/26/80/381692680.db2.gz YOEBLJOYGUJELS-HNNXBMFYSA-N 0 3 265.397 3.107 20 30 CGEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCC1 ZINC000361484065 381768362 /nfs/dbraw/zinc/76/83/62/381768362.db2.gz HIQVYCZLYGVJMW-UHFFFAOYSA-N 0 3 296.374 3.230 20 30 CGEDHN COc1cc(C#N)ccc1CN(CC1CC1)C1CCC1 ZINC000361584155 381817342 /nfs/dbraw/zinc/81/73/42/381817342.db2.gz MRRUJLHPXPPIRV-UHFFFAOYSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCN(Cc1ccc(-n2ccnc2)cc1C)C1CC1 ZINC000361865293 381873165 /nfs/dbraw/zinc/87/31/65/381873165.db2.gz MKWMVCTUALBZNE-UHFFFAOYSA-N 0 3 267.376 3.331 20 30 CGEDHN COc1cccc2c1OCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000365819597 382296868 /nfs/dbraw/zinc/29/68/68/382296868.db2.gz JLNSNPALNRXCJT-NFAWXSAZSA-N 0 3 286.375 3.191 20 30 CGEDHN CC(C)(CCC#N)CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000367966200 382361821 /nfs/dbraw/zinc/36/18/21/382361821.db2.gz OJFNZGGSQWPWKU-ZIAGYGMSSA-N 0 3 264.413 3.206 20 30 CGEDHN C=CCC[C@H](CC)N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000368188064 382368578 /nfs/dbraw/zinc/36/85/78/382368578.db2.gz KPVNONPIXWRMQP-JKSUJKDBSA-N 0 3 291.439 3.241 20 30 CGEDHN CCCCCCC[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000369026776 382384658 /nfs/dbraw/zinc/38/46/58/382384658.db2.gz DOYTZISGRICOCY-HNNXBMFYSA-N 0 3 272.396 3.454 20 30 CGEDHN N#Cc1ccc(F)cc1CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335377125 208312663 /nfs/dbraw/zinc/31/26/63/208312663.db2.gz AHRYZEICLOHFSO-PBHICJAKSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000354969052 533114737 /nfs/dbraw/zinc/11/47/37/533114737.db2.gz CJDLMOPXXQOBPF-STQMWFEESA-N 0 3 270.376 3.117 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000334962342 533116706 /nfs/dbraw/zinc/11/67/06/533116706.db2.gz JHVZVRALCSSYHX-XHDPSFHLSA-N 0 3 272.323 3.037 20 30 CGEDHN C=CCC(C)(C)CNCc1nn(C)c2ccccc12 ZINC000312060286 542431340 /nfs/dbraw/zinc/43/13/40/542431340.db2.gz CDMIRKJAFAJEDJ-UHFFFAOYSA-N 0 3 257.381 3.265 20 30 CGEDHN C=CC[C@@H](CO)NCc1c(CC)oc2ccccc21 ZINC000320784538 542439684 /nfs/dbraw/zinc/43/96/84/542439684.db2.gz RYMLPWFPUAEIIV-LBPRGKRZSA-N 0 3 259.349 3.022 20 30 CGEDHN CC(C)(CCC#N)CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365626572 262376139 /nfs/dbraw/zinc/37/61/39/262376139.db2.gz XQPWKVDCUABTKW-LSDHHAIUSA-N 0 3 276.424 3.350 20 30 CGEDHN COc1cc(CNC[C@@H](C)c2c(C)noc2C)ccc1C#N ZINC000281657637 195324939 /nfs/dbraw/zinc/32/49/39/195324939.db2.gz KNAJLOSCKONNNJ-LLVKDONJSA-N 0 3 299.374 3.065 20 30 CGEDHN COCc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281720427 195350562 /nfs/dbraw/zinc/35/05/62/195350562.db2.gz PEJHOJWDHNMIQY-UHFFFAOYSA-N 0 3 296.370 3.003 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000281632104 195314888 /nfs/dbraw/zinc/31/48/88/195314888.db2.gz LUSWLGFNIUDOKM-LLVKDONJSA-N 0 3 268.282 3.222 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC(C)(C)C[C@H]1C ZINC000412050758 533332478 /nfs/dbraw/zinc/33/24/78/533332478.db2.gz ZJPDCKNOSAKDBW-OLZOCXBDSA-N 0 3 285.391 3.006 20 30 CGEDHN Cc1cc(CN2CCC(c3ccncn3)CC2)ccc1C#N ZINC000411837157 533596382 /nfs/dbraw/zinc/59/63/82/533596382.db2.gz XOJXFMRXESVNSB-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000048777749 392013953 /nfs/dbraw/zinc/01/39/53/392013953.db2.gz KSMPITOTKMHHLF-GOSISDBHSA-N 0 3 297.377 3.090 20 30 CGEDHN CN(CCOc1ccccc1C#N)CCc1ccccc1 ZINC000060477881 392122562 /nfs/dbraw/zinc/12/25/62/392122562.db2.gz FHKSXFAYFCOCGL-UHFFFAOYSA-N 0 3 280.371 3.112 20 30 CGEDHN N#Cc1cccc(CNCCOc2ccc(Cl)cc2)c1 ZINC000070786124 392185362 /nfs/dbraw/zinc/18/53/62/392185362.db2.gz UFRVWKBHVBFMKK-UHFFFAOYSA-N 0 3 286.762 3.380 20 30 CGEDHN C=CCN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284055449 392309390 /nfs/dbraw/zinc/30/93/90/392309390.db2.gz KMZSIHKBQZDPII-OAHLLOKOSA-N 0 3 288.435 3.310 20 30 CGEDHN Cc1nsc(NC[C@H](c2cccs2)N(C)C)c1C#N ZINC000285805215 392332590 /nfs/dbraw/zinc/33/25/90/392332590.db2.gz YIHIUKNQBJQUMG-LLVKDONJSA-N 0 3 292.433 3.100 20 30 CGEDHN C#Cc1cccc(NC(=O)N(CCC)CCN2CCCC2)c1 ZINC000286952461 392390614 /nfs/dbraw/zinc/39/06/14/392390614.db2.gz HKHWIRXWGUVIOG-UHFFFAOYSA-N 0 3 299.418 3.008 20 30 CGEDHN C=C(C)CNCc1c(C)nn(-c2ccccc2)c1C ZINC000161033857 392583161 /nfs/dbraw/zinc/58/31/61/392583161.db2.gz BQBHESXZDZBXPR-UHFFFAOYSA-N 0 3 255.365 3.155 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccccc1OCC ZINC000320422895 392671325 /nfs/dbraw/zinc/67/13/25/392671325.db2.gz SXEHDAAQIVSELH-ZIAGYGMSSA-N 0 3 263.381 3.063 20 30 CGEDHN CCOC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000178518456 392680434 /nfs/dbraw/zinc/68/04/34/392680434.db2.gz NZIPSVZGENPJPJ-UHFFFAOYSA-N 0 3 286.419 3.489 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1 ZINC000185198083 392769109 /nfs/dbraw/zinc/76/91/09/392769109.db2.gz UIQVLUJLOABKFQ-SJORKVTESA-N 0 3 272.392 3.242 20 30 CGEDHN C=CCSCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000183193621 392753271 /nfs/dbraw/zinc/75/32/71/392753271.db2.gz IVERUEVELBTYLD-CQSZACIVSA-N 0 3 287.375 3.161 20 30 CGEDHN CC(C#N)C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000334212109 392711896 /nfs/dbraw/zinc/71/18/96/392711896.db2.gz HUYPZYBARAUBIP-IAQYHMDHSA-N 0 3 292.329 3.235 20 30 CGEDHN Cn1cc(CCNCc2ccc(C#N)o2)c2ccc(F)cc21 ZINC000185747111 392773903 /nfs/dbraw/zinc/77/39/03/392773903.db2.gz WTHYWBCLZUJKLW-UHFFFAOYSA-N 0 3 297.333 3.114 20 30 CGEDHN C[C@@H]1CC[C@@H](CN(Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000190460456 392815993 /nfs/dbraw/zinc/81/59/93/392815993.db2.gz BHLKVLWRASRMPA-DYVFJYSZSA-N 0 3 270.376 3.090 20 30 CGEDHN Cc1ccc2ncc(CN3CCC(CCC#N)CC3)n2c1 ZINC000519829714 392895549 /nfs/dbraw/zinc/89/55/49/392895549.db2.gz YMZPJKIOQIVZFG-UHFFFAOYSA-N 0 3 282.391 3.159 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(Br)s1 ZINC000378746998 392899157 /nfs/dbraw/zinc/89/91/57/392899157.db2.gz RUXDBCVNHXXBQO-SECBINFHSA-N 0 3 290.226 3.364 20 30 CGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000192677094 392857555 /nfs/dbraw/zinc/85/75/55/392857555.db2.gz NVLHQBRHSTUWHS-NEPJUHHUSA-N 0 3 299.399 3.298 20 30 CGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000192798625 392861126 /nfs/dbraw/zinc/86/11/26/392861126.db2.gz HYMONBWFPOAFIN-LBPRGKRZSA-N 0 3 299.399 3.299 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(OCCc3ccccc3)CC2)C1 ZINC000338934660 392935362 /nfs/dbraw/zinc/93/53/62/392935362.db2.gz RGEYTTATRHRXOS-ZWKOTPCHSA-N 0 3 298.430 3.402 20 30 CGEDHN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000527996256 392962835 /nfs/dbraw/zinc/96/28/35/392962835.db2.gz DBWZYRUDLKZDML-WQVCFCJDSA-N 0 3 258.365 3.165 20 30 CGEDHN Cc1cnc(CCNCc2ccc(C#N)c(F)c2)c(C)c1 ZINC000404158594 392964596 /nfs/dbraw/zinc/96/45/96/392964596.db2.gz PRLIOENSDXQMTG-UHFFFAOYSA-N 0 3 283.350 3.042 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000411688035 392984300 /nfs/dbraw/zinc/98/43/00/392984300.db2.gz HPQOXFNUZZUBON-HUUCEWRRSA-N 0 3 286.423 3.091 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000343656208 393031392 /nfs/dbraw/zinc/03/13/92/393031392.db2.gz JGCDTSLLLMGBJP-XVKPBYJWSA-N 0 3 290.672 3.219 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1Cl)C1CCOCC1 ZINC000221121458 393006123 /nfs/dbraw/zinc/00/61/23/393006123.db2.gz BDPICKFSNDBEDQ-LLVKDONJSA-N 0 3 278.783 3.116 20 30 CGEDHN COCC1(C#N)CCN(C[C@@H](C)Cc2ccccc2)CC1 ZINC000342843436 393010965 /nfs/dbraw/zinc/01/09/65/393010965.db2.gz RJFJTOGBDBSZMV-INIZCTEOSA-N 0 3 286.419 3.117 20 30 CGEDHN COCC1(C#N)CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000343148819 393019323 /nfs/dbraw/zinc/01/93/23/393019323.db2.gz MQCLHCJEFCMCGI-UHFFFAOYSA-N 0 3 295.386 3.300 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H](C)CC(=O)OCC)cc1 ZINC000346316533 393084368 /nfs/dbraw/zinc/08/43/68/393084368.db2.gz ANFIJQQXBIUOHW-CQSZACIVSA-N 0 3 291.391 3.025 20 30 CGEDHN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(C)C#N ZINC000346418838 393087891 /nfs/dbraw/zinc/08/78/91/393087891.db2.gz WXPSDHRUKWVQKU-CQSZACIVSA-N 0 3 293.370 3.257 20 30 CGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1CCC1 ZINC000348208534 393116007 /nfs/dbraw/zinc/11/60/07/393116007.db2.gz SWHHOCDOJZMHND-OAHLLOKOSA-N 0 3 299.418 3.054 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000648773283 393245790 /nfs/dbraw/zinc/24/57/90/393245790.db2.gz AOIZFJDYICJUHC-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCN2CCCC[C@H]2C)c1 ZINC000273234253 393273916 /nfs/dbraw/zinc/27/39/16/393273916.db2.gz RZOGYPLBVGUSRO-CYBMUJFWSA-N 0 3 285.391 3.047 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000649249395 393386036 /nfs/dbraw/zinc/38/60/36/393386036.db2.gz HIOIIRWCOZXHIR-ZDUSSCGKSA-N 0 3 273.298 3.074 20 30 CGEDHN Cc1cc(CN[C@@H](C)c2cccc(O)c2)ccc1C#N ZINC000488155070 393464561 /nfs/dbraw/zinc/46/45/61/393464561.db2.gz WESVMHXNOIQCCZ-ZDUSSCGKSA-N 0 3 266.344 3.423 20 30 CGEDHN C=CC[C@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000358044842 393518580 /nfs/dbraw/zinc/51/85/80/393518580.db2.gz IJESVSZXEGUGGA-QWRGUYRKSA-N 0 3 267.344 3.458 20 30 CGEDHN C=CCn1c2ccccc2nc1SC[C@@H](C)N(C)C ZINC000358882809 393528808 /nfs/dbraw/zinc/52/88/08/393528808.db2.gz UIIMDKKDIQBTBV-GFCCVEGCSA-N 0 3 275.421 3.265 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663482 393531468 /nfs/dbraw/zinc/53/14/68/393531468.db2.gz HOHIWAAVNJAMGE-IRXDYDNUSA-N 0 3 277.383 3.116 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000359534018 393550050 /nfs/dbraw/zinc/55/00/50/393550050.db2.gz BBIXHAPBWWPWDX-ZIAGYGMSSA-N 0 3 278.396 3.181 20 30 CGEDHN C#CCn1ccc(CN(CC)[C@H](C)CCCC=C)n1 ZINC000491507840 393694224 /nfs/dbraw/zinc/69/42/24/393694224.db2.gz XMBJPVTVBBGEHF-OAHLLOKOSA-N 0 3 259.397 3.083 20 30 CGEDHN Cc1ccc(F)c(CCNCc2ccc(C#N)s2)c1 ZINC000449551454 393896875 /nfs/dbraw/zinc/89/68/75/393896875.db2.gz GGRLUFZCMYKASO-UHFFFAOYSA-N 0 3 274.364 3.400 20 30 CGEDHN C=CCN1CCC(NC(=O)C2CC3(C2)CCCCC3)CC1 ZINC000668369844 543007854 /nfs/dbraw/zinc/00/78/54/543007854.db2.gz GMDZOGDTSPVCGA-UHFFFAOYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000668369767 543008148 /nfs/dbraw/zinc/00/81/48/543008148.db2.gz DTOJNPJSVISNEG-HNNXBMFYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN(CC)C[C@H](O)COc1ccccc1C(C)C ZINC000046342239 397628558 /nfs/dbraw/zinc/62/85/58/397628558.db2.gz YXZILUGBRCRDJC-INIZCTEOSA-N 0 3 291.435 3.448 20 30 CGEDHN C=CCC[C@@H](NCCCn1ccnc1C)c1ccco1 ZINC000286279547 397671499 /nfs/dbraw/zinc/67/14/99/397671499.db2.gz VREHRTPNMGWHHZ-OAHLLOKOSA-N 0 3 273.380 3.472 20 30 CGEDHN C=CCC[C@@H](O)CN1CCc2cc(F)ccc2[C@@H]1C ZINC000675496953 543345218 /nfs/dbraw/zinc/34/52/18/543345218.db2.gz FPIWUKMIOXCECA-SWLSCSKDSA-N 0 3 263.356 3.072 20 30 CGEDHN C=CCC[C@H](CC)NCc1cn2cc(C)ccc2n1 ZINC000675818548 543367736 /nfs/dbraw/zinc/36/77/36/543367736.db2.gz UCKDRXRWVLMWTN-AWEZNQCLSA-N 0 3 257.381 3.477 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(OCc2ccccc2)CC1 ZINC000677476714 543450866 /nfs/dbraw/zinc/45/08/66/543450866.db2.gz ZZXBUGQAXUXDFR-MRXNPFEDSA-N 0 3 271.404 3.470 20 30 CGEDHN Clc1cccc(C#CCN2CCC3(CCOC3)CC2)c1 ZINC000677721174 543460138 /nfs/dbraw/zinc/46/01/38/543460138.db2.gz WYFCMUORIKEMTG-UHFFFAOYSA-N 0 3 289.806 3.194 20 30 CGEDHN COCC#CCN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000677817824 543467223 /nfs/dbraw/zinc/46/72/23/543467223.db2.gz BPOWEXCBLIWEKS-QGZVFWFLSA-N 0 3 257.377 3.090 20 30 CGEDHN COCC#CCN1CCC[C@@H]1c1cc(C)ccc1C ZINC000677820629 543467818 /nfs/dbraw/zinc/46/78/18/543467818.db2.gz RFZPLJSWJATZIF-QGZVFWFLSA-N 0 3 257.377 3.090 20 30 CGEDHN C=C(C)CN(CC)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000678121882 543485714 /nfs/dbraw/zinc/48/57/14/543485714.db2.gz NFTRGBVFNOVJOB-UHFFFAOYSA-N 0 3 285.391 3.483 20 30 CGEDHN COCC#CCNC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000678772252 543555712 /nfs/dbraw/zinc/55/57/12/543555712.db2.gz VYXHIIBUVFLQTG-UHFFFAOYSA-N 0 3 289.419 3.196 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000678723875 543550794 /nfs/dbraw/zinc/55/07/94/543550794.db2.gz BOMQEVXVCRDVBZ-ZFWWWQNUSA-N 0 3 293.407 3.072 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000678729350 543551456 /nfs/dbraw/zinc/55/14/56/543551456.db2.gz QWFZUESMFPTNQP-GXFFZTMASA-N 0 3 273.298 3.293 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)CCC(C)(C)C#N)C1(C)C ZINC000345709979 286332019 /nfs/dbraw/zinc/33/20/19/286332019.db2.gz CGQBMEOJWRGURM-QWHCGFSZSA-N 0 3 252.402 3.062 20 30 CGEDHN CC(C)[C@H]1CN(Cc2cccc(C#N)c2)CCS1 ZINC000076064433 165110900 /nfs/dbraw/zinc/11/09/00/165110900.db2.gz NKJAHSTZEJRJMT-OAHLLOKOSA-N 0 3 260.406 3.132 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1[C@@H](C)CCC[C@@H]1C ZINC000077281546 165122048 /nfs/dbraw/zinc/12/20/48/165122048.db2.gz CITXXUGTIDXSNC-KBPBESRZSA-N 0 3 288.391 3.209 20 30 CGEDHN COc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000090107691 165227054 /nfs/dbraw/zinc/22/70/54/165227054.db2.gz DPIYIUFMAHDPOL-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)c2ccncc2)cc1 ZINC000020121687 171001511 /nfs/dbraw/zinc/00/15/11/171001511.db2.gz FFHJXSGZYSBNRS-AWEZNQCLSA-N 0 3 268.360 3.497 20 30 CGEDHN N#Cc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000020145299 171030494 /nfs/dbraw/zinc/03/04/94/171030494.db2.gz GPOQQLMJWADERL-UHFFFAOYSA-N 0 3 288.297 3.449 20 30 CGEDHN CC(C)CCOCCN[C@H](C)c1cccc(C#N)c1 ZINC000045094312 175307154 /nfs/dbraw/zinc/30/71/54/175307154.db2.gz JDJXXEAMURTVMX-CQSZACIVSA-N 0 3 260.381 3.272 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCC(=O)OC(C)(C)C ZINC000128194312 287305506 /nfs/dbraw/zinc/30/55/06/287305506.db2.gz LYEVYPGMPHIABQ-CYBMUJFWSA-N 0 3 288.391 3.283 20 30 CGEDHN N#Cc1ccc(CNCCc2cccs2)c(F)c1 ZINC000020052966 416444716 /nfs/dbraw/zinc/44/47/16/416444716.db2.gz ZCVUMPLTENRKHT-UHFFFAOYSA-N 0 3 260.337 3.091 20 30 CGEDHN CC#CCCNCc1cnn(Cc2ccccc2Cl)c1 ZINC000679390529 543632447 /nfs/dbraw/zinc/63/24/47/543632447.db2.gz GIZDXICOSCGFTF-UHFFFAOYSA-N 0 3 287.794 3.088 20 30 CGEDHN C=CCOCCNCc1cnc(-c2ccccc2)s1 ZINC000679486293 543640313 /nfs/dbraw/zinc/64/03/13/543640313.db2.gz JLGPLTOXVKXJAY-UHFFFAOYSA-N 0 3 274.389 3.102 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1nn(C)c2ccccc12 ZINC000680635528 543721448 /nfs/dbraw/zinc/72/14/48/543721448.db2.gz AKNAWNJVEDZOPY-STQMWFEESA-N 0 3 257.381 3.264 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000680405883 543709177 /nfs/dbraw/zinc/70/91/77/543709177.db2.gz NSCBYZZPPOCLBL-TZMCWYRMSA-N 0 3 289.375 3.419 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@H](C)C(C)(C)C ZINC000130444154 287355456 /nfs/dbraw/zinc/35/54/56/287355456.db2.gz NOYUBQLKTQZDKI-GFCCVEGCSA-N 0 3 260.381 3.433 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CC)c1cccc2ccccc21 ZINC000682138346 543828808 /nfs/dbraw/zinc/82/88/08/543828808.db2.gz GRYBDVPJKQUXAT-KRWDZBQOSA-N 0 3 282.387 3.183 20 30 CGEDHN Cc1nc(-c2ccc([C@@H](C)NC(=O)C(C)C#N)cc2)cs1 ZINC000347082919 226043237 /nfs/dbraw/zinc/04/32/37/226043237.db2.gz YOOSPWWJEPJMME-GHMZBOCLSA-N 0 3 299.399 3.455 20 30 CGEDHN Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(C)C#N ZINC000347108024 226053265 /nfs/dbraw/zinc/05/32/65/226053265.db2.gz NSATYGFZZLEQOU-UKRRQHHQSA-N 0 3 258.365 3.358 20 30 CGEDHN CCC#C[C@H](C)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000684622313 544021152 /nfs/dbraw/zinc/02/11/52/544021152.db2.gz LHAYONICKXHABG-KRWDZBQOSA-N 0 3 285.431 3.166 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1csc(C(C)(C)C)n1 ZINC000411645565 262702936 /nfs/dbraw/zinc/70/29/36/262702936.db2.gz SSOZDLKVWWVOAQ-UHFFFAOYSA-N 0 3 295.496 3.380 20 30 CGEDHN N#CC(C(=O)c1cc(Cl)cc(Cl)c1)c1ccncn1 ZINC000354481062 227010603 /nfs/dbraw/zinc/01/06/03/227010603.db2.gz XOKKCOZWQOOBSK-NSHDSACASA-N 0 3 292.125 3.273 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(CN)c1 ZINC000659017525 418957233 /nfs/dbraw/zinc/95/72/33/418957233.db2.gz FTBXWZNNLMTWDV-GDBMZVCRSA-N 0 3 287.407 3.402 20 30 CGEDHN C=CCN(CCO[C@H]1CC1(F)F)CCc1ccccc1 ZINC000659856219 419015295 /nfs/dbraw/zinc/01/52/95/419015295.db2.gz AJDLCHDPCNFHMA-HNNXBMFYSA-N 0 3 281.346 3.141 20 30 CGEDHN C=CCCn1cc(CN[C@H](CCCC)C2CCC2)nn1 ZINC000653614377 419060063 /nfs/dbraw/zinc/06/00/63/419060063.db2.gz ZNRVYGXXQHACGY-MRXNPFEDSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCCCC23CCCC3)nn1 ZINC000653692619 419072918 /nfs/dbraw/zinc/07/29/18/419072918.db2.gz YMQLKOJBCZEODQ-MRXNPFEDSA-N 0 3 288.439 3.447 20 30 CGEDHN C=CCCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000660338014 419129588 /nfs/dbraw/zinc/12/95/88/419129588.db2.gz BSOHMURLSPGUDS-AWEZNQCLSA-N 0 3 295.452 3.006 20 30 CGEDHN CCC#C[C@H](C)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660719064 419185811 /nfs/dbraw/zinc/18/58/11/419185811.db2.gz XGLZHPAJEZUWQY-HNNXBMFYSA-N 0 3 286.423 3.140 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000661379875 419256206 /nfs/dbraw/zinc/25/62/06/419256206.db2.gz BTZKJOUCMYCVFU-AWEZNQCLSA-N 0 3 255.365 3.122 20 30 CGEDHN C=CCCn1cc(CNCC[C@H]2CCCC[C@@H]2C)nn1 ZINC000657361635 419259694 /nfs/dbraw/zinc/25/96/94/419259694.db2.gz OPHQYMCWWMKXBV-LSDHHAIUSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C)n1C1CC1 ZINC000661114697 419231079 /nfs/dbraw/zinc/23/10/79/419231079.db2.gz KBPWHGJYYNHJRB-UKRRQHHQSA-N 0 3 274.412 3.146 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)CCC=C(C)C)nn1 ZINC000657478044 419288564 /nfs/dbraw/zinc/28/85/64/419288564.db2.gz CTVFZNDDCOENEJ-CQSZACIVSA-N 0 3 262.401 3.079 20 30 CGEDHN C=CCN(CC(=O)N[C@@H](C)c1cccs1)C(C)(C)C ZINC000661754784 419295026 /nfs/dbraw/zinc/29/50/26/419295026.db2.gz AQODJFPPXMQKLC-LBPRGKRZSA-N 0 3 280.437 3.212 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)[C@@H]2CC3CCC2CC3)nn1 ZINC000657503369 419295980 /nfs/dbraw/zinc/29/59/80/419295980.db2.gz GPBNXSAILGPQGH-GIOUXUJVSA-N 0 3 288.439 3.159 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc2n(n1)CCC2 ZINC000657530430 419299779 /nfs/dbraw/zinc/29/97/79/419299779.db2.gz PIXAKNQSFIXVHT-XJKSGUPXSA-N 0 3 259.397 3.054 20 30 CGEDHN C=CCC1(NCc2cc(OC)ns2)CCCC1 ZINC000661851333 419304647 /nfs/dbraw/zinc/30/46/47/419304647.db2.gz RTDADVFFPLPUDH-UHFFFAOYSA-N 0 3 252.383 3.130 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2COC3(CCC3)C2)cc1 ZINC000657629517 419316087 /nfs/dbraw/zinc/31/60/87/419316087.db2.gz CFNLDCWKPVGSCO-HNNXBMFYSA-N 0 3 273.376 3.053 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000662080652 419333214 /nfs/dbraw/zinc/33/32/14/419333214.db2.gz LEERWADRQWEXJS-JJTUDDRGSA-N 0 3 290.451 3.062 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000662082065 419333401 /nfs/dbraw/zinc/33/34/01/419333401.db2.gz XIAOLHOZAPWFOK-MTSZKFMLSA-N 0 3 290.451 3.253 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccccc2)CCCCC1 ZINC000336043242 228182024 /nfs/dbraw/zinc/18/20/24/228182024.db2.gz SEGVZPYXMOVRTL-ZDUSSCGKSA-N 0 3 256.349 3.122 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc2n1CCCCC2 ZINC000657819526 419367956 /nfs/dbraw/zinc/36/79/56/419367956.db2.gz GPSCZOVJFHTWKU-HUUCEWRRSA-N 0 3 288.439 3.229 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662629998 419472456 /nfs/dbraw/zinc/47/24/56/419472456.db2.gz GMGZJCADWZXELR-RHSMWYFYSA-N 0 3 284.403 3.036 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C(C)(C)C)[nH]1 ZINC000658035181 419511689 /nfs/dbraw/zinc/51/16/89/419511689.db2.gz LZUUGECBAIWERR-CHWSQXEVSA-N 0 3 276.428 3.327 20 30 CGEDHN C=CCOCCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000658209573 419661178 /nfs/dbraw/zinc/66/11/78/419661178.db2.gz HFBAZVBRRXRWNU-OAHLLOKOSA-N 0 3 279.355 3.222 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1ccc(C)cc1OC ZINC000658209749 419661743 /nfs/dbraw/zinc/66/17/43/419661743.db2.gz JYXHIHLDNGJNIF-AWEZNQCLSA-N 0 3 263.381 3.247 20 30 CGEDHN C=CCCCC[C@H](C)NCc1nccc(OC)c1F ZINC000658225074 419682117 /nfs/dbraw/zinc/68/21/17/419682117.db2.gz ROGJXJCSKMRIQD-LBPRGKRZSA-N 0 3 266.360 3.454 20 30 CGEDHN N#Cc1ccc(N2CCN(CC3CCCCCC3)CC2)nc1 ZINC000179988536 260085415 /nfs/dbraw/zinc/08/54/15/260085415.db2.gz HKKRYSCENRQDKG-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN COc1ccccc1CN(C)CCCC(C)(C)C#N ZINC000087608532 260215338 /nfs/dbraw/zinc/21/53/38/260215338.db2.gz OYPJLJNTXDOAMB-UHFFFAOYSA-N 0 3 260.381 3.457 20 30 CGEDHN CCC[N@H+](CCCSCC#N)Cc1ccccc1[O-] ZINC000074991899 260289626 /nfs/dbraw/zinc/28/96/26/260289626.db2.gz BARCDLDVFXIHGZ-UHFFFAOYSA-N 0 3 278.421 3.251 20 30 CGEDHN CCC[N@@H+](CCCSCC#N)Cc1ccccc1[O-] ZINC000074991899 260289628 /nfs/dbraw/zinc/28/96/28/260289628.db2.gz BARCDLDVFXIHGZ-UHFFFAOYSA-N 0 3 278.421 3.251 20 30 CGEDHN CC#CCCNCc1cnc(CCc2ccccc2)s1 ZINC000449223249 260298733 /nfs/dbraw/zinc/29/87/33/260298733.db2.gz FNZSPXMKUWNPDI-UHFFFAOYSA-N 0 3 284.428 3.431 20 30 CGEDHN CC[C@@](C)(NCCCSCC#N)c1nc(C)cs1 ZINC000080736250 260318604 /nfs/dbraw/zinc/31/86/04/260318604.db2.gz KWXJFTDHRCSQCQ-CYBMUJFWSA-N 0 3 283.466 3.313 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC)cc1F ZINC000090451382 260359413 /nfs/dbraw/zinc/35/94/13/260359413.db2.gz WHDNNJZXIJQMII-LBPRGKRZSA-N 0 3 267.344 3.078 20 30 CGEDHN C[C@H](NCCCCC#N)c1ccc(Br)cn1 ZINC000336755261 262086656 /nfs/dbraw/zinc/08/66/56/262086656.db2.gz XQCXAULBOBQYQR-JTQLQIEISA-N 0 3 282.185 3.189 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000185776985 262069722 /nfs/dbraw/zinc/06/97/22/262069722.db2.gz GHYUIFIGFLBOPI-DZGCQCFKSA-N 0 3 288.391 3.266 20 30 CGEDHN C=CCOc1ccccc1CN(C)C[C@H]1CCCC[C@H]1O ZINC000497196410 262099280 /nfs/dbraw/zinc/09/92/80/262099280.db2.gz ABGBLSKFWMGROL-NVXWUHKLSA-N 0 3 289.419 3.234 20 30 CGEDHN N#CCCCN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192022770 262197668 /nfs/dbraw/zinc/19/76/68/262197668.db2.gz CMHZDKVXMKTTIE-KBPBESRZSA-N 0 3 264.756 3.063 20 30 CGEDHN C=CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000110969039 262259475 /nfs/dbraw/zinc/25/94/75/262259475.db2.gz KCYRAZDAARBILD-UHFFFAOYSA-N 0 3 298.430 3.321 20 30 CGEDHN C=C(CC)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495627039 262283329 /nfs/dbraw/zinc/28/33/29/262283329.db2.gz TWBUWHXJOZNWTD-UONOGXRCSA-N 0 3 282.428 3.330 20 30 CGEDHN CC[C@@H]1CN(CCC2(C#N)CCCCC2)CCCO1 ZINC000411677418 262703903 /nfs/dbraw/zinc/70/39/03/262703903.db2.gz RUVPRPPUGYIUOI-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN CO[C@@](C)([C@H](C)NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000411978023 262711362 /nfs/dbraw/zinc/71/13/62/262711362.db2.gz YNHAXYWOZRJMGC-GUYCJALGSA-N 0 3 291.822 3.485 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000272020618 263001440 /nfs/dbraw/zinc/00/14/40/263001440.db2.gz MPSNZYZCZDHEIL-LLVKDONJSA-N 0 3 261.325 3.185 20 30 CGEDHN CC1(C#N)CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000272555826 263006545 /nfs/dbraw/zinc/00/65/45/263006545.db2.gz SAWAALGPNICFPC-UHFFFAOYSA-N 0 3 281.359 3.066 20 30 CGEDHN CCc1cccc(OCCN2CCC(C)(C#N)CC2)c1 ZINC000272554889 263006669 /nfs/dbraw/zinc/00/66/69/263006669.db2.gz LBPYUCLUBAYRSJ-UHFFFAOYSA-N 0 3 272.392 3.253 20 30 CGEDHN N#CCCCNCc1cccc(-c2cccnc2)c1 ZINC000273086484 263012333 /nfs/dbraw/zinc/01/23/33/263012333.db2.gz RRAKRVADTUUDPW-UHFFFAOYSA-N 0 3 251.333 3.142 20 30 CGEDHN COc1cc(C)c(CN(C)[C@H](C)CCC#N)cc1OC ZINC000276300634 263035656 /nfs/dbraw/zinc/03/56/56/263035656.db2.gz JVRPTVXWNQWGHD-CYBMUJFWSA-N 0 3 276.380 3.136 20 30 CGEDHN N#CC1(CCCN2CCC[C@@H]2c2ccc[nH]2)CCOCC1 ZINC000282019734 263073659 /nfs/dbraw/zinc/07/36/59/263073659.db2.gz PBZLMKLSHLFZBT-MRXNPFEDSA-N 0 3 287.407 3.252 20 30 CGEDHN C=CCC[C@H](NCC1([S@](C)=O)CCC1)c1ccco1 ZINC000286378173 263098168 /nfs/dbraw/zinc/09/81/68/263098168.db2.gz AMGLHFWMIQPWDB-DJJJIMSYSA-N 0 3 281.421 3.178 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2=CCCOC2)c([O-])c1 ZINC000287023842 263100590 /nfs/dbraw/zinc/10/05/90/263100590.db2.gz GQWIVWCSAOETMK-LDADJPATSA-N 0 3 288.391 3.004 20 30 CGEDHN C[C@@H]1CN(c2cccc(F)c2)CCN1CCCCC#N ZINC000292366027 263131477 /nfs/dbraw/zinc/13/14/77/263131477.db2.gz QQNYDLDCYZGIMF-CQSZACIVSA-N 0 3 275.371 3.030 20 30 CGEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000293493573 263141951 /nfs/dbraw/zinc/14/19/51/263141951.db2.gz NHDFMDDEDGERAF-DZGCQCFKSA-N 0 3 288.391 3.218 20 30 CGEDHN Cc1cccc(C2=CCN(CCOCCC#N)CC2)c1 ZINC000293693072 263147226 /nfs/dbraw/zinc/14/72/26/263147226.db2.gz BYJDLPFTKGGYDD-UHFFFAOYSA-N 0 3 270.376 3.014 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000340442394 263151849 /nfs/dbraw/zinc/15/18/49/263151849.db2.gz ZRWOPQWVTPVQMX-RKDXNWHRSA-N 0 3 285.174 3.200 20 30 CGEDHN Cc1cccc(CC2(O)CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000294179544 263156963 /nfs/dbraw/zinc/15/69/63/263156963.db2.gz QKPKMRXXHKFDSQ-ZWKOTPCHSA-N 0 3 298.430 3.057 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000340529778 263186305 /nfs/dbraw/zinc/18/63/05/263186305.db2.gz DGDKDEXCYMWGTK-OAHLLOKOSA-N 0 3 256.349 3.053 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000299566028 263247576 /nfs/dbraw/zinc/24/75/76/263247576.db2.gz GZZOLKAYPLUPDA-STQMWFEESA-N 0 3 285.391 3.378 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC)c1ccccc1 ZINC000341219348 263327444 /nfs/dbraw/zinc/32/74/44/263327444.db2.gz KYJNPXUSGMUUJI-DOTOQJQBSA-N 0 3 286.419 3.316 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](CC)c1ccccc1 ZINC000341188824 263329098 /nfs/dbraw/zinc/32/90/98/263329098.db2.gz DXHRCEMEHLFANE-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC(C2CCC2)C1 ZINC000341336059 263332239 /nfs/dbraw/zinc/33/22/39/263332239.db2.gz JCXWTHUZCLVFCO-MRXNPFEDSA-N 0 3 282.387 3.017 20 30 CGEDHN C=CC[C@H](CO)CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000341314086 263334079 /nfs/dbraw/zinc/33/40/79/263334079.db2.gz SCOBZYZSFYHBPX-JTQLQIEISA-N 0 3 291.288 3.119 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000341966299 263372059 /nfs/dbraw/zinc/37/20/59/263372059.db2.gz KDXVORIWGWKRDE-ZDUSSCGKSA-N 0 3 281.421 3.097 20 30 CGEDHN CC[C@@H](c1ccccc1)N1CCC(C#N)(COC)CC1 ZINC000341972507 263372691 /nfs/dbraw/zinc/37/26/91/263372691.db2.gz FQYFDIUKJWPAKS-INIZCTEOSA-N 0 3 272.392 3.390 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](CO)[C@H]2C)cc1Cl ZINC000425962747 264228154 /nfs/dbraw/zinc/22/81/54/264228154.db2.gz JBZWPDLLGASGSR-OCCSQVGLSA-N 0 3 295.810 3.108 20 30 CGEDHN C=C(C)CCN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280254826 264449232 /nfs/dbraw/zinc/44/92/32/264449232.db2.gz BTLJRRSBLWQZFK-GFCCVEGCSA-N 0 3 289.297 3.174 20 30 CGEDHN CO[C@]1(C)C[C@@H](N(C)CCC(C)(C)C#N)C1(C)C ZINC000345706044 265097704 /nfs/dbraw/zinc/09/77/04/265097704.db2.gz FUVFOQKNEGLJDF-IUODEOHRSA-N 0 3 252.402 3.062 20 30 CGEDHN CC1=C[C@@H](C)C[C@@H](CN2CCC(F)(C#N)CC2)C1 ZINC000356305272 266092921 /nfs/dbraw/zinc/09/29/21/266092921.db2.gz PXJDONVFLOZKSV-TZMCWYRMSA-N 0 3 250.361 3.306 20 30 CGEDHN C=CCOc1ccc(CN2CCN(C)C[C@@H]2C(C)C)cc1 ZINC000357201395 266265618 /nfs/dbraw/zinc/26/56/18/266265618.db2.gz GSJYBZJXFOEWKP-GOSISDBHSA-N 0 3 288.435 3.023 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(C1)CCCCC2 ZINC000357755571 266355897 /nfs/dbraw/zinc/35/58/97/266355897.db2.gz ATNUMTOKKHTCTN-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN CC(C)Oc1ccc(CC[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000357801169 266365923 /nfs/dbraw/zinc/36/59/23/266365923.db2.gz UAQLDMYSZXFXEY-KGLIPLIRSA-N 0 3 288.391 3.071 20 30 CGEDHN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000528001158 270150121 /nfs/dbraw/zinc/15/01/21/270150121.db2.gz HVVBUTMAXNUJKA-VZAVHYRXSA-N 0 3 276.355 3.160 20 30 CGEDHN C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(C#N)cc1F ZINC000528004572 270150358 /nfs/dbraw/zinc/15/03/58/270150358.db2.gz QWMWYYVMBSKTPS-RPHNGCRZSA-N 0 3 276.355 3.160 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000368625703 267191842 /nfs/dbraw/zinc/19/18/42/267191842.db2.gz QRXCOJBVIBTWFQ-IRXDYDNUSA-N 0 3 285.435 3.321 20 30 CGEDHN CC[C@@H](NCCOCC(F)(F)F)c1ccc(C#N)cc1 ZINC000447543292 267193793 /nfs/dbraw/zinc/19/37/93/267193793.db2.gz RLQSSQAJVYZSJC-CYBMUJFWSA-N 0 3 286.297 3.178 20 30 CGEDHN C[C@H]1C[C@@H](NCC2(C#N)CCC2)CN(Cc2ccccc2)C1 ZINC000418141767 267364058 /nfs/dbraw/zinc/36/40/58/267364058.db2.gz LSPKQQIDJPNLKK-FUHWJXTLSA-N 0 3 297.446 3.180 20 30 CGEDHN CC#CCNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278275718 276932410 /nfs/dbraw/zinc/93/24/10/276932410.db2.gz JOAMUVKEMBFNPM-UHFFFAOYSA-N 0 3 297.320 3.324 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000187259084 277827916 /nfs/dbraw/zinc/82/79/16/277827916.db2.gz QKGXRSPOBMVGPY-RHSMWYFYSA-N 0 3 274.408 3.150 20 30 CGEDHN CSC1(CN(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000289129955 278122635 /nfs/dbraw/zinc/12/26/35/278122635.db2.gz OKYDNFOFJZEHDR-UHFFFAOYSA-N 0 3 272.417 3.418 20 30 CGEDHN CC(C#N)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000336354595 278182105 /nfs/dbraw/zinc/18/21/05/278182105.db2.gz DFLNWCLEUCIEFF-GXFFZTMASA-N 0 3 294.807 3.116 20 30 CGEDHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459479182 278511147 /nfs/dbraw/zinc/51/11/47/278511147.db2.gz UURPKQTYEQRVAE-ATCWAGBWSA-N 0 3 287.363 3.381 20 30 CGEDHN CC[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C#N)cc1 ZINC000414298137 288065772 /nfs/dbraw/zinc/06/57/72/288065772.db2.gz JHPJOFNXDPFOBM-ZNMIVQPWSA-N 0 3 294.345 3.148 20 30 CGEDHN C[C@@]12CN(Cc3ccccc3C#N)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449038 279180058 /nfs/dbraw/zinc/18/00/58/279180058.db2.gz KILPCFVPFRBPMI-RNJTYBCJSA-N 0 3 264.372 3.202 20 30 CGEDHN N#Cc1ccc(CN[C@H](Cc2ccccc2)C2CC2)nc1 ZINC000554077659 289255739 /nfs/dbraw/zinc/25/57/39/289255739.db2.gz BDADRKLNLWPGMD-GOSISDBHSA-N 0 3 277.371 3.064 20 30 CGEDHN CCCC[C@H]1CCC[C@H]1NCc1ccc(C#N)cn1 ZINC000558244255 289481447 /nfs/dbraw/zinc/48/14/47/289481447.db2.gz SIWNCGSEOUVLQR-GOEBONIOSA-N 0 3 257.381 3.402 20 30 CGEDHN N#CCCCNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000172149346 327762603 /nfs/dbraw/zinc/76/26/03/327762603.db2.gz KPDUOHZBEKIRJI-UHFFFAOYSA-N 0 3 286.375 3.120 20 30 CGEDHN C=CCCCCCN[C@@H](c1nccn1C)C1CCOCC1 ZINC000563415727 328063136 /nfs/dbraw/zinc/06/31/36/328063136.db2.gz FOCDJPCBFWOLAL-MRXNPFEDSA-N 0 3 291.439 3.224 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(C)c2)n1 ZINC000155403754 328079290 /nfs/dbraw/zinc/07/92/90/328079290.db2.gz AIQHSVTXUMWAFB-LBPRGKRZSA-N 0 3 271.345 3.006 20 30 CGEDHN C[C@@H](N[C@H]1CSC1(C)C)c1ccc(OCC#N)cc1 ZINC000283499104 328117328 /nfs/dbraw/zinc/11/73/28/328117328.db2.gz YRGSMTFFZJOFND-RISCZKNCSA-N 0 3 276.405 3.134 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCC(=O)Nc1ccc(Cl)cc1 ZINC000161103543 328131839 /nfs/dbraw/zinc/13/18/39/328131839.db2.gz GTOHMWGSXDQBJV-RYUDHWBXSA-N 0 3 280.799 3.469 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000289976169 328150286 /nfs/dbraw/zinc/15/02/86/328150286.db2.gz XRRILPJJSHXYEM-WPRPVWTQSA-N 0 3 260.164 3.191 20 30 CGEDHN C[C@@H](NCCCSCC#N)c1c(F)cccc1F ZINC000271839517 328197871 /nfs/dbraw/zinc/19/78/71/328197871.db2.gz YFLFPQFJMLQTLU-SNVBAGLBSA-N 0 3 270.348 3.262 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000274637586 328212252 /nfs/dbraw/zinc/21/22/52/328212252.db2.gz QIBYJPDMJDLQPA-OUCADQQQSA-N 0 3 274.364 3.047 20 30 CGEDHN C[C@H](CCC#N)N1CCC(c2ccc(O)cc2)CC1 ZINC000276346367 328217622 /nfs/dbraw/zinc/21/76/22/328217622.db2.gz VGHBJVGWEZVNMT-CYBMUJFWSA-N 0 3 258.365 3.264 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000277343384 328221130 /nfs/dbraw/zinc/22/11/30/328221130.db2.gz LPRMEDSXGZPGNR-GDXANTJSSA-N 0 3 290.407 3.082 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000280949672 328237218 /nfs/dbraw/zinc/23/72/18/328237218.db2.gz HIEGFDVWOOTNSX-DCZLZTFESA-N 0 3 290.407 3.082 20 30 CGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000156161783 321775922 /nfs/dbraw/zinc/77/59/22/321775922.db2.gz QVMCZXFYRNUVHR-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN N#Cc1ccc(CNCc2ccnc3ccccc23)s1 ZINC000564843390 322045817 /nfs/dbraw/zinc/04/58/17/322045817.db2.gz MYBQILKXBVSWGB-UHFFFAOYSA-N 0 3 279.368 3.458 20 30 CGEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565043471 322056439 /nfs/dbraw/zinc/05/64/39/322056439.db2.gz HLFAKVWNGQOSLJ-UPJWGTAASA-N 0 3 287.363 3.333 20 30 CGEDHN CC(C)CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000567989805 322186892 /nfs/dbraw/zinc/18/68/92/322186892.db2.gz QIURBNXDAJRLAQ-UHFFFAOYSA-N 0 3 273.336 3.087 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571807578 322308410 /nfs/dbraw/zinc/30/84/10/322308410.db2.gz YIMLSRXHAOMSMY-OLZOCXBDSA-N 0 3 287.363 3.477 20 30 CGEDHN Cc1nc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c(Cl)cc1C#N ZINC000573380710 322385045 /nfs/dbraw/zinc/38/50/45/322385045.db2.gz HYIXWENEORXHHL-IINYFYTJSA-N 0 3 292.814 3.056 20 30 CGEDHN COCCSc1ccc([C@H](C)NCCCC#N)cc1 ZINC000341751905 328415520 /nfs/dbraw/zinc/41/55/20/328415520.db2.gz QZPDXSLOTRVUFB-ZDUSSCGKSA-N 0 3 278.421 3.379 20 30 CGEDHN C=C(C)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183146661 328517890 /nfs/dbraw/zinc/51/78/90/328517890.db2.gz OORPIOAPTPXQJL-UHFFFAOYSA-N 0 3 273.302 3.115 20 30 CGEDHN C=CCOCCCN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451405250 331027900 /nfs/dbraw/zinc/02/79/00/331027900.db2.gz HSIFHBXJHQXGQD-RYUDHWBXSA-N 0 3 265.319 3.242 20 30 CGEDHN C[C@@H](c1ccccc1F)N(C)CCCSCC#N ZINC000074981901 327122935 /nfs/dbraw/zinc/12/29/35/327122935.db2.gz SIWDNGHCEPYSMZ-LBPRGKRZSA-N 0 3 266.385 3.465 20 30 CGEDHN CCCN(CCc1cccs1)Cc1ccc(C#N)cn1 ZINC000584299861 327229736 /nfs/dbraw/zinc/22/97/36/327229736.db2.gz XOSXWMUDEHNRPM-UHFFFAOYSA-N 0 3 285.416 3.469 20 30 CGEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cn2)C1 ZINC000583358512 327318359 /nfs/dbraw/zinc/31/83/59/327318359.db2.gz WIDPLZAOTKFBIN-HUUCEWRRSA-N 0 3 275.421 3.059 20 30 CGEDHN OC1([C@H]2CCCCN2CC#Cc2ccc(Cl)cc2)CC1 ZINC000560590454 327328893 /nfs/dbraw/zinc/32/88/93/327328893.db2.gz ZPRQTVZDGUJHFI-MRXNPFEDSA-N 0 3 289.806 3.071 20 30 CGEDHN C=C[C@@H](CO)N[C@H](CC)c1cccc(Br)c1 ZINC000289560410 327531437 /nfs/dbraw/zinc/53/14/37/327531437.db2.gz AKADUPKMKYQQPG-QWHCGFSZSA-N 0 3 284.197 3.037 20 30 CGEDHN COc1ccc([C@H](C)CN2CCC(C)(C#N)CC2)cc1 ZINC000507697277 332819603 /nfs/dbraw/zinc/81/96/03/332819603.db2.gz HYJZRUVCDZPKMX-CQSZACIVSA-N 0 3 272.392 3.424 20 30 CGEDHN CC#CCCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000360967737 328913317 /nfs/dbraw/zinc/91/33/17/328913317.db2.gz CPGIVUSJNKYRNY-UHFFFAOYSA-N 0 3 295.308 3.095 20 30 CGEDHN CC[C@@H](O)[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000177163546 329180496 /nfs/dbraw/zinc/18/04/96/329180496.db2.gz AOUSZUOVKNCQQM-DLBZAZTESA-N 0 3 291.822 3.317 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccc(F)c(F)c2)C1 ZINC000185819187 329329838 /nfs/dbraw/zinc/32/98/38/329329838.db2.gz UINVGMJTLBGVHQ-VXGBXAGGSA-N 0 3 280.318 3.016 20 30 CGEDHN CC(C)(C#N)CCCN1CC[C@]2(C1)OCc1ccccc12 ZINC000186666434 329347065 /nfs/dbraw/zinc/34/70/65/329347065.db2.gz FSTKLHPQMYESRE-GOSISDBHSA-N 0 3 284.403 3.448 20 30 CGEDHN C=CCSCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142636 329363009 /nfs/dbraw/zinc/36/30/09/329363009.db2.gz PQYAJRWGQIVOMO-UHFFFAOYSA-N 0 3 286.784 3.257 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)COC)cc1Cl ZINC000066969632 329849939 /nfs/dbraw/zinc/84/99/39/329849939.db2.gz HAWNEIIDRPTTDS-NSHDSACASA-N 0 3 269.772 3.029 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000421830569 330084467 /nfs/dbraw/zinc/08/44/67/330084467.db2.gz CBDWJEUOLOLDNV-YVEFUNNKSA-N 0 3 293.382 3.060 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](c1ccc(OC)cc1F)C(C)C ZINC000421838604 330092481 /nfs/dbraw/zinc/09/24/81/330092481.db2.gz VGVPAWSYLLBZQY-GUYCJALGSA-N 0 3 295.398 3.306 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2ccncc2Cl)CC1 ZINC000421838051 330092572 /nfs/dbraw/zinc/09/25/72/330092572.db2.gz UNSNXFYTTZEMRN-GFCCVEGCSA-N 0 3 279.815 3.036 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527906135 330290000 /nfs/dbraw/zinc/29/00/00/330290000.db2.gz LEWIGKZDMLEURZ-XHDPSFHLSA-N 0 3 283.774 3.383 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)COC2 ZINC000424325927 330338995 /nfs/dbraw/zinc/33/89/95/330338995.db2.gz LHGIXQYYPFHHBB-MQIPJXDCSA-N 0 3 256.349 3.060 20 30 CGEDHN CCc1nc(C)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424335011 330343256 /nfs/dbraw/zinc/34/32/56/330343256.db2.gz WCJDIKXQYYBLNB-ZMLRMANQSA-N 0 3 263.410 3.357 20 30 CGEDHN C=C(C)CNCc1ccc(Br)cc1C ZINC000119652828 330378154 /nfs/dbraw/zinc/37/81/54/330378154.db2.gz UVBTXLWFKYZSRA-UHFFFAOYSA-N 0 3 254.171 3.423 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000090451353 330392671 /nfs/dbraw/zinc/39/26/71/330392671.db2.gz SFOIXLXGYDEXGH-MRXNPFEDSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CCCOCCN[C@H]1CCSc2ccccc21 ZINC000090883447 330396572 /nfs/dbraw/zinc/39/65/72/330396572.db2.gz FNXXGEJLENBLKS-AWEZNQCLSA-N 0 3 263.406 3.406 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000442784534 330783090 /nfs/dbraw/zinc/78/30/90/330783090.db2.gz PWSBEYUZYCUTGG-DGCLKSJQSA-N 0 3 298.308 3.366 20 30 CGEDHN C=C(C)CCNCc1cc(C(=O)OC)ccc1Cl ZINC000449473592 330928693 /nfs/dbraw/zinc/92/86/93/330928693.db2.gz HWWYCFABOWGEGJ-UHFFFAOYSA-N 0 3 267.756 3.182 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2ccccc2c(OC)c1 ZINC000449518162 330933138 /nfs/dbraw/zinc/93/31/38/330933138.db2.gz INKOBXJRTYBBBK-SJORKVTESA-N 0 3 283.371 3.282 20 30 CGEDHN Cc1cccc2c1CC(C)(C)N(CCOCCC#N)C2 ZINC000451259108 331022311 /nfs/dbraw/zinc/02/23/11/331022311.db2.gz HKYAERVICHKDSE-UHFFFAOYSA-N 0 3 272.392 3.062 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C)ccc1OC(F)F ZINC000451682235 331038988 /nfs/dbraw/zinc/03/89/88/331038988.db2.gz OJALWNXWFBGNIO-KGLIPLIRSA-N 0 3 297.345 3.420 20 30 CGEDHN CC(C)(C)CC(C)(C)N1CCN(CC2(C#N)CC2)CC1 ZINC000451906425 331046903 /nfs/dbraw/zinc/04/69/03/331046903.db2.gz VTPHMQZLZNNTGG-UHFFFAOYSA-N 0 3 277.456 3.123 20 30 CGEDHN C=CCC[C@H](CO)N[C@H]1CC(C)(C)Cc2occc21 ZINC000453336996 331118615 /nfs/dbraw/zinc/11/86/15/331118615.db2.gz BMEIXOVEULMFMA-OCCSQVGLSA-N 0 3 263.381 3.210 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1OC(F)F ZINC000453343337 331119611 /nfs/dbraw/zinc/11/96/11/331119611.db2.gz DZDWUQFJHMVGAD-UHTWSYAYSA-N 0 3 283.318 3.282 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000453376688 331124846 /nfs/dbraw/zinc/12/48/46/331124846.db2.gz XZDGNKMETYGCLI-OAGGEKHMSA-N 0 3 290.363 3.369 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000453378187 331125277 /nfs/dbraw/zinc/12/52/77/331125277.db2.gz YSKGPSQLDZEFBW-MAZHCROVSA-N 0 3 291.439 3.331 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@H](CCC)C(C)(C)C)CC1 ZINC000454550974 331148599 /nfs/dbraw/zinc/14/85/99/331148599.db2.gz RXGZHJMRALJEQX-OAHLLOKOSA-N 0 3 295.471 3.151 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000457233095 331216786 /nfs/dbraw/zinc/21/67/86/331216786.db2.gz GEQYIACVKKNJMS-QZTJIDSGSA-N 0 3 296.414 3.454 20 30 CGEDHN Cc1cc(NC(=O)C2(C#N)CCCCC2)ccc1CN(C)C ZINC000458276883 331246918 /nfs/dbraw/zinc/24/69/18/331246918.db2.gz HPKFAZFBKWPDSA-UHFFFAOYSA-N 0 3 299.418 3.469 20 30 CGEDHN C=CCOCCN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459544006 331286958 /nfs/dbraw/zinc/28/69/58/331286958.db2.gz NAMWFCLEUYOJRK-QGZVFWFLSA-N 0 3 289.419 3.073 20 30 CGEDHN CO[C@@H]1C[C@@H](NCC#Cc2cccc(Cl)c2)C12CCC2 ZINC000459768644 331299694 /nfs/dbraw/zinc/29/96/94/331299694.db2.gz QLXKGYPIFZDMNU-HZPDHXFCSA-N 0 3 289.806 3.239 20 30 CGEDHN CC(C)c1ccc(C[C@@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000461710583 331314083 /nfs/dbraw/zinc/31/40/83/331314083.db2.gz SIUYSGDEIPSEKW-ZBFHGGJFSA-N 0 3 284.403 3.361 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000468934122 331442623 /nfs/dbraw/zinc/44/26/23/331442623.db2.gz LXXXOSJBJSJROX-HZPDHXFCSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000479310098 331724494 /nfs/dbraw/zinc/72/44/94/331724494.db2.gz QCDNVRNUBPQYLO-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN C=C[C@@H]1CCCCN1CCCOc1ccc2c(c1)OCO2 ZINC000489428570 332051646 /nfs/dbraw/zinc/05/16/46/332051646.db2.gz OTAMQKNKFWPWAX-CQSZACIVSA-N 0 3 289.375 3.225 20 30 CGEDHN C=C(C)COCCNCc1ccc2c(c1)CCCC2 ZINC000491403025 332205183 /nfs/dbraw/zinc/20/51/83/332205183.db2.gz WEHFFNYOCXCPGZ-UHFFFAOYSA-N 0 3 259.393 3.248 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(OCc2cccnc2)cc1 ZINC000491427235 332209546 /nfs/dbraw/zinc/20/95/46/332209546.db2.gz JPEROZQCLRPSND-HNNXBMFYSA-N 0 3 280.371 3.114 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@@H](CC)CCCC)CC1 ZINC000172211245 335097503 /nfs/dbraw/zinc/09/75/03/335097503.db2.gz GNLOUOPXDAGOAM-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000305819149 333000078 /nfs/dbraw/zinc/00/00/78/333000078.db2.gz PREGOAPVGWQXNN-CJNGLKHVSA-N 0 3 297.826 3.286 20 30 CGEDHN CC(C)[C@H](CCN(C)CCCC#N)NC(=O)OC(C)(C)C ZINC000178464978 333073246 /nfs/dbraw/zinc/07/32/46/333073246.db2.gz KSCJGDDSQDDUFU-AWEZNQCLSA-N 0 3 297.443 3.161 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000183677977 333121579 /nfs/dbraw/zinc/12/15/79/333121579.db2.gz UGZFJHOJEUXNSV-HUUCEWRRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN(CC[C@H]1CCCO1)Cc1ccc(OC)cc1 ZINC000188850625 333174793 /nfs/dbraw/zinc/17/47/93/333174793.db2.gz QVLVMNYPLQYLEK-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN CC(C)(C#N)CCCCN1CCN(C2CCCC2)CC1 ZINC000232531151 333338104 /nfs/dbraw/zinc/33/81/04/333338104.db2.gz PTFWVABDPLZEKK-UHFFFAOYSA-N 0 3 277.456 3.267 20 30 CGEDHN C=CCCCCN1CCCN(c2nccs2)CC1 ZINC000575986659 335138573 /nfs/dbraw/zinc/13/85/73/335138573.db2.gz RIMCSPLFUAIOTD-UHFFFAOYSA-N 0 3 265.426 3.012 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](CC)c2cc(C)ccc2C)C1=O ZINC000528797640 333458710 /nfs/dbraw/zinc/45/87/10/333458710.db2.gz JDCASAARVOYXEV-IAGOWNOFSA-N 0 3 286.419 3.131 20 30 CGEDHN N#CCc1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000542278766 333820294 /nfs/dbraw/zinc/82/02/94/333820294.db2.gz MZCXLXOFSONYMW-UHFFFAOYSA-N 0 3 297.446 3.203 20 30 CGEDHN C=CCCCCCN(C)C(=O)CCN(C)c1ccncc1 ZINC000543713858 333890992 /nfs/dbraw/zinc/89/09/92/333890992.db2.gz JRMFRULSRRCXSJ-UHFFFAOYSA-N 0 3 289.423 3.113 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](COC)c1ccc(F)cc1 ZINC000544575019 333936975 /nfs/dbraw/zinc/93/69/75/333936975.db2.gz PJBWZSBJINYMST-WFASDCNBSA-N 0 3 251.345 3.458 20 30 CGEDHN CN(C[C@@H]1CCCN1CCCCC#N)C(=O)OC(C)(C)C ZINC000076017369 334066646 /nfs/dbraw/zinc/06/66/46/334066646.db2.gz QIRFDLBTUUJBNK-AWEZNQCLSA-N 0 3 295.427 3.012 20 30 CGEDHN CC#CCCCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000547353513 334082727 /nfs/dbraw/zinc/08/27/27/334082727.db2.gz PNFLAIYLGVSXLN-UHFFFAOYSA-N 0 3 298.430 3.309 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000548858574 334176746 /nfs/dbraw/zinc/17/67/46/334176746.db2.gz NLCHAJHBMYOUOO-ZFWWWQNUSA-N 0 3 255.365 3.001 20 30 CGEDHN C=CCOCCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000549612493 334199729 /nfs/dbraw/zinc/19/97/29/334199729.db2.gz SRNYZGVBHHEDOY-LLVKDONJSA-N 0 3 265.319 3.099 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000091536448 334379954 /nfs/dbraw/zinc/37/99/54/334379954.db2.gz YEGNEPBGOYPAPF-GFCCVEGCSA-N 0 3 265.353 3.334 20 30 CGEDHN CC#CCN[C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555131587 334469327 /nfs/dbraw/zinc/46/93/27/334469327.db2.gz BDKVLKUNKAMCCO-CVEARBPZSA-N 0 3 294.801 3.227 20 30 CGEDHN N#CCCC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000566172062 334631573 /nfs/dbraw/zinc/63/15/73/334631573.db2.gz AGFOUWRJFXJNCG-UHFFFAOYSA-N 0 3 276.355 3.220 20 30 CGEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)CCS1 ZINC000343540311 335208594 /nfs/dbraw/zinc/20/85/94/335208594.db2.gz RBMLSLFVAYNTQN-UHFFFAOYSA-N 0 3 260.406 3.080 20 30 CGEDHN COc1cccc2c1CCC[C@@H]2NCC1(CC#N)CC1 ZINC000576575012 335220565 /nfs/dbraw/zinc/22/05/65/335220565.db2.gz KRVRSEZDUDOCHU-HNNXBMFYSA-N 0 3 270.376 3.356 20 30 CGEDHN N#CCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000580691039 335328044 /nfs/dbraw/zinc/32/80/44/335328044.db2.gz PVFOJPNYQAXVBY-UHFFFAOYSA-N 0 3 261.394 3.146 20 30 CGEDHN CC[C@H](NCc1cc(C#N)cs1)c1ccncc1 ZINC000177705315 335380339 /nfs/dbraw/zinc/38/03/39/335380339.db2.gz GSAPYPSTXKUTOO-AWEZNQCLSA-N 0 3 257.362 3.256 20 30 CGEDHN CC(C)(COCc1ccccc1)NCc1ccc(C#N)cn1 ZINC000579974329 335941540 /nfs/dbraw/zinc/94/15/40/335941540.db2.gz CFIWBKCQTUDRRM-UHFFFAOYSA-N 0 3 295.386 3.038 20 30 CGEDHN C=CC[C@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000382353756 336086331 /nfs/dbraw/zinc/08/63/31/336086331.db2.gz FBRQSYYDOJWYHX-UWVGGRQHSA-N 0 3 269.186 3.459 20 30 CGEDHN C=CC(C)(C)CNCc1cnn(-c2ccccc2)c1 ZINC000384872800 336133436 /nfs/dbraw/zinc/13/34/36/336133436.db2.gz RMEOKWUDQQGBCY-UHFFFAOYSA-N 0 3 255.365 3.174 20 30 CGEDHN C=CC(C)(C)CNCc1cccc2c1OCCCO2 ZINC000384904244 336134072 /nfs/dbraw/zinc/13/40/72/336134072.db2.gz BMPPEVVRXNVROS-UHFFFAOYSA-N 0 3 261.365 3.150 20 30 CGEDHN C[C@H](NCC1(CCO)CCCC1)c1ccc(C#N)cc1F ZINC000358575452 533830669 /nfs/dbraw/zinc/83/06/69/533830669.db2.gz SRFIGNVOJWMBAG-ZDUSSCGKSA-N 0 3 290.382 3.291 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCOC(C)(C)C1 ZINC000365412199 534048607 /nfs/dbraw/zinc/04/86/07/534048607.db2.gz MCRHPYZVTYXWNV-ZDUSSCGKSA-N 0 3 258.365 3.120 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000347067545 534283674 /nfs/dbraw/zinc/28/36/74/534283674.db2.gz KYEDNQDPRHAZQN-NOZJJQNGSA-N 0 3 262.740 3.067 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000347106872 534284797 /nfs/dbraw/zinc/28/47/97/534284797.db2.gz JIRAVGUSCFWTBY-ABAIWWIYSA-N 0 3 274.339 3.333 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000332031353 534285464 /nfs/dbraw/zinc/28/54/64/534285464.db2.gz SBEDCGHEIQITTL-UPJWGTAASA-N 0 3 250.386 3.257 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000332031350 534285673 /nfs/dbraw/zinc/28/56/73/534285673.db2.gz SBEDCGHEIQITTL-AGIUHOORSA-N 0 3 250.386 3.257 20 30 CGEDHN CCO[C@@H]1C[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000580868417 517716331 /nfs/dbraw/zinc/71/63/31/517716331.db2.gz XOBMNLMUOWJLTR-BRWVUGGUSA-N 0 3 270.376 3.093 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000155961221 523526988 /nfs/dbraw/zinc/52/69/88/523526988.db2.gz AAVXKOXRYRCKBZ-GASCZTMLSA-N 0 3 270.376 3.189 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1c(C)nc2ccccn21 ZINC000352701188 526324679 /nfs/dbraw/zinc/32/46/79/526324679.db2.gz FYGUHTJTBKBDJU-UHFFFAOYSA-N 0 3 295.386 3.466 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)cc(C)c2)CC1 ZINC000106039580 526598423 /nfs/dbraw/zinc/59/84/23/526598423.db2.gz SWBJQZCDRQOHGZ-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(C)s2)CC1 ZINC000106037187 526598730 /nfs/dbraw/zinc/59/87/30/526598730.db2.gz NRGYZNXQVPEXJO-UHFFFAOYSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCCCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000344552188 527229992 /nfs/dbraw/zinc/22/99/92/527229992.db2.gz LBLLYEZUIWPWHA-UHFFFAOYSA-N 0 3 286.419 3.367 20 30 CGEDHN C=CCCN(C)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000344264971 527317140 /nfs/dbraw/zinc/31/71/40/527317140.db2.gz OQNTYUZCOMEIAS-UHFFFAOYSA-N 0 3 286.419 3.319 20 30 CGEDHN C=CCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347333619 527326518 /nfs/dbraw/zinc/32/65/18/527326518.db2.gz HXABHFSZONOIGD-UONOGXRCSA-N 0 3 263.406 3.063 20 30 CGEDHN C=CCC[C@H](NCC[C@H](O)C(C)C)c1ccco1 ZINC000356098349 527484542 /nfs/dbraw/zinc/48/45/42/527484542.db2.gz VYJUOXGAXRTZIP-KBPBESRZSA-N 0 3 251.370 3.284 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000359000332 528084800 /nfs/dbraw/zinc/08/48/00/528084800.db2.gz HKECMBXYEQOCMN-CABCVRRESA-N 0 3 290.382 3.379 20 30 CGEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000441243107 528154538 /nfs/dbraw/zinc/15/45/38/528154538.db2.gz HUJKWHDGUQXPQO-UHFFFAOYSA-N 0 3 296.374 3.230 20 30 CGEDHN CC(C)C[C@@H](NC(=O)C(C)C#N)c1cccs1 ZINC000347045094 528356236 /nfs/dbraw/zinc/35/62/36/528356236.db2.gz ZDBZKWTZFVHGJA-WDEREUQCSA-N 0 3 250.367 3.111 20 30 CGEDHN CCOC[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356406306 528975814 /nfs/dbraw/zinc/97/58/14/528975814.db2.gz FNTFHRUQAHJUPQ-JTQLQIEISA-N 0 3 286.297 3.092 20 30 CGEDHN CC[C@@H](NCCC(C)(C)C#N)c1c(C)nn(C)c1C ZINC000347188007 529159736 /nfs/dbraw/zinc/15/97/36/529159736.db2.gz DTLRUWGDSRIDIO-CYBMUJFWSA-N 0 3 262.401 3.018 20 30 CGEDHN CN(Cc1ccc(OCC#N)cc1)Cc1cccc(C#N)c1 ZINC000729266798 571893526 /nfs/dbraw/zinc/89/35/26/571893526.db2.gz DGDUQVQEWACQEL-UHFFFAOYSA-N 0 3 291.354 3.093 20 30 CGEDHN Cc1cccc2c1CCN(CCOc1ccc(C#N)cc1)C2 ZINC000729477151 571920455 /nfs/dbraw/zinc/92/04/55/571920455.db2.gz CSWULPXHTTZZGD-UHFFFAOYSA-N 0 3 292.382 3.304 20 30 CGEDHN CCCCCCCCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000741722891 572519189 /nfs/dbraw/zinc/51/91/89/572519189.db2.gz TYRRQOQVRUOVPM-LSDHHAIUSA-N 0 3 268.445 3.336 20 30 CGEDHN COc1cccc(CCCN(CCC#N)CC(C)C)c1 ZINC000741796752 572530359 /nfs/dbraw/zinc/53/03/59/572530359.db2.gz XXEVEKZANUMSIW-UHFFFAOYSA-N 0 3 274.408 3.499 20 30 CGEDHN C#CCCOc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000733327784 572556587 /nfs/dbraw/zinc/55/65/87/572556587.db2.gz WGAXNKZRNVYZBD-UHFFFAOYSA-N 0 3 281.355 3.084 20 30 CGEDHN C=CCN(C[C@@H](O)c1cccc(Cl)c1)C(C)C ZINC000743841107 572686916 /nfs/dbraw/zinc/68/69/16/572686916.db2.gz FAHYTNQCVOAFAM-CQSZACIVSA-N 0 3 253.773 3.270 20 30 CGEDHN C=C(Cl)CN1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000743872417 572694241 /nfs/dbraw/zinc/69/42/41/572694241.db2.gz VWJSCZMEURMFEU-OAHLLOKOSA-N 0 3 278.827 3.335 20 30 CGEDHN N#CC(C(=O)C=CC1CC1)c1ccc2ccccc2n1 ZINC000744015253 572696852 /nfs/dbraw/zinc/69/68/52/572696852.db2.gz KUQCJRVULHZDJH-YHAOYDPOSA-N 0 3 262.312 3.377 20 30 CGEDHN N#CC(C(=O)C=CC1CC1)c1ccc2ccccc2n1 ZINC000744015250 572697070 /nfs/dbraw/zinc/69/70/70/572697070.db2.gz KUQCJRVULHZDJH-DNGMOHDESA-N 0 3 262.312 3.377 20 30 CGEDHN N#CC(C(=O)C1=COCCC1)c1ccc2ccccc2n1 ZINC000744016635 572697233 /nfs/dbraw/zinc/69/72/33/572697233.db2.gz PVDSACWUSYQHOM-AWEZNQCLSA-N 0 3 278.311 3.105 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735408105 572719593 /nfs/dbraw/zinc/71/95/93/572719593.db2.gz GAHMMEFVIXMMCV-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735408105 572719599 /nfs/dbraw/zinc/71/95/99/572719599.db2.gz GAHMMEFVIXMMCV-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735408105 572719602 /nfs/dbraw/zinc/71/96/02/572719602.db2.gz GAHMMEFVIXMMCV-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735408105 572719607 /nfs/dbraw/zinc/71/96/07/572719607.db2.gz GAHMMEFVIXMMCV-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735408882 572719753 /nfs/dbraw/zinc/71/97/53/572719753.db2.gz UJWWTFUGOXWBLT-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735408882 572719756 /nfs/dbraw/zinc/71/97/56/572719756.db2.gz UJWWTFUGOXWBLT-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735408882 572719759 /nfs/dbraw/zinc/71/97/59/572719759.db2.gz UJWWTFUGOXWBLT-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735408882 572719763 /nfs/dbraw/zinc/71/97/63/572719763.db2.gz UJWWTFUGOXWBLT-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C#CCN(Cc1cccc(OC)c1OC)C1CCCCC1 ZINC000746146351 572857275 /nfs/dbraw/zinc/85/72/75/572857275.db2.gz AKGWVCGEHCRZQF-UHFFFAOYSA-N 0 3 287.403 3.472 20 30 CGEDHN CCN(C/C=C(\C)C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000746503491 572875519 /nfs/dbraw/zinc/87/55/19/572875519.db2.gz SHMYMHBGIJNIST-UELRPHRMSA-N 0 3 286.375 3.060 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC12CCCC2)c1nc2ccccc2[nH]1 ZINC000747479238 572931441 /nfs/dbraw/zinc/93/14/41/572931441.db2.gz JKIWSSXFSVAHPO-RYUDHWBXSA-N 0 3 279.343 3.319 20 30 CGEDHN N#Cc1ccc(CNC[C@@H](O)c2cccc(Cl)c2)s1 ZINC000749109433 572989215 /nfs/dbraw/zinc/98/92/15/572989215.db2.gz OZBQUFVSWYQMFQ-CQSZACIVSA-N 0 3 292.791 3.096 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CCCCCCC2)C1 ZINC000970123854 613301803 /nfs/dbraw/zinc/30/18/03/613301803.db2.gz HSSKDULZCLGCEA-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000980511714 613619750 /nfs/dbraw/zinc/61/97/50/613619750.db2.gz SGVQPSFYVUUUEO-CQSZACIVSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000980483254 613635893 /nfs/dbraw/zinc/63/58/93/613635893.db2.gz LQRUZMFHJIDSLN-HNNXBMFYSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000972791345 613637452 /nfs/dbraw/zinc/63/74/52/613637452.db2.gz LGRYPCXEUIOHGH-SFHVURJKSA-N 0 3 294.398 3.172 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC000968984832 613685740 /nfs/dbraw/zinc/68/57/40/613685740.db2.gz IMNGMMXMKVWSCM-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008286 613746775 /nfs/dbraw/zinc/74/67/75/613746775.db2.gz MBHFLKDXIULDTH-LSDHHAIUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@H](C)C1 ZINC000944633228 613751030 /nfs/dbraw/zinc/75/10/30/613751030.db2.gz DZJCAQRZOWZQGH-UKRRQHHQSA-N 0 3 298.386 3.059 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(CC)s2)C[C@@H]1C ZINC000947516748 613752730 /nfs/dbraw/zinc/75/27/30/613752730.db2.gz WYDZDEJCLWDFRD-QWHCGFSZSA-N 0 3 292.448 3.079 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3ccccc23)C[C@@H]1C ZINC000948093782 613759412 /nfs/dbraw/zinc/75/94/12/613759412.db2.gz AKDXTZWQHLZKTR-UONOGXRCSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)sc2C)C[C@@H]1C ZINC000947515639 613788430 /nfs/dbraw/zinc/78/84/30/613788430.db2.gz MPFZEWLORVVBEU-FZMZJTMJSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2sccc2CC)C[C@H]1C ZINC000948067490 613802007 /nfs/dbraw/zinc/80/20/07/613802007.db2.gz XITOJQWFWSFXRT-OCCSQVGLSA-N 0 3 292.448 3.079 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001021110924 617898497 /nfs/dbraw/zinc/89/84/97/617898497.db2.gz RLSMJZLERNPQHH-MGPQQGTHSA-N 0 3 298.858 3.192 20 30 CGEDHN C#CCN(Cc1cnn(C)c1C1CC1)C1CCCCC1 ZINC000891824969 618319594 /nfs/dbraw/zinc/31/95/94/618319594.db2.gz VEBTWDBWBQMEMZ-UHFFFAOYSA-N 0 3 271.408 3.065 20 30 CGEDHN N#Cc1cc(CN2CCCC3(CCOCC3)C2)cs1 ZINC000892059139 618509744 /nfs/dbraw/zinc/50/97/44/618509744.db2.gz WXECPWCSVWZSAP-UHFFFAOYSA-N 0 3 276.405 3.012 20 30 CGEDHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CC[C@@H](CC#N)C1 ZINC000926514017 618718604 /nfs/dbraw/zinc/71/86/04/618718604.db2.gz YLBPVYJADZHVAM-AVGNSLFASA-N 0 3 259.353 3.032 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](c1ccccn1)C1CC1 ZINC000926895054 618984662 /nfs/dbraw/zinc/98/46/62/618984662.db2.gz SXJCPTRNVSRJQX-SWLSCSKDSA-N 0 3 257.381 3.451 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)CNCC#Cc1ccccc1 ZINC000893179351 619020103 /nfs/dbraw/zinc/02/01/03/619020103.db2.gz PGTQWPWXEXBGHS-ZDUSSCGKSA-N 0 3 268.360 3.036 20 30 CGEDHN C#C[C@H](NCc1ccc(OC(C)C)c(OC)c1)C(C)C ZINC000312161125 619040495 /nfs/dbraw/zinc/04/04/95/619040495.db2.gz OYLDLLNZQCOZLW-HNNXBMFYSA-N 0 3 275.392 3.230 20 30 CGEDHN C[C@@H](C[C@@H](O)c1ccccc1)NCC#Cc1ccccc1 ZINC000893267793 619054902 /nfs/dbraw/zinc/05/49/02/619054902.db2.gz XBTRQMTTZRNFJV-QFBILLFUSA-N 0 3 279.383 3.140 20 30 CGEDHN C[C@@H](CN(C)Cc1csc(C#N)c1)c1nccs1 ZINC000893534733 619207769 /nfs/dbraw/zinc/20/77/69/619207769.db2.gz DYMOUQPBIARXFF-JTQLQIEISA-N 0 3 277.418 3.312 20 30 CGEDHN C=CCc1cc(OC)cc(CN2CCSC[C@@H]2C)c1O ZINC000178893488 619436588 /nfs/dbraw/zinc/43/65/88/619436588.db2.gz LCYWPEQCMIAEJJ-LBPRGKRZSA-N 0 3 293.432 3.067 20 30 CGEDHN CC1(C)COC[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000894357831 619503248 /nfs/dbraw/zinc/50/32/48/619503248.db2.gz BHMLQAPSMBWMFN-HUUCEWRRSA-N 0 3 258.365 3.046 20 30 CGEDHN C#Cc1ccc(CNCc2cccc3c2NCCC3)cc1 ZINC000894873539 619661940 /nfs/dbraw/zinc/66/19/40/619661940.db2.gz NCTHUTYKDCTFAX-UHFFFAOYSA-N 0 3 276.383 3.316 20 30 CGEDHN CCn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000894964636 619688152 /nfs/dbraw/zinc/68/81/52/619688152.db2.gz TZNNCYMHMNQJMC-GOSISDBHSA-N 0 3 294.402 3.250 20 30 CGEDHN N#Cc1csc(CN2CC[C@@H](c3nccs3)C2)c1 ZINC000895580602 619855660 /nfs/dbraw/zinc/85/56/60/619855660.db2.gz HUIXEAAVMXWJGU-LLVKDONJSA-N 0 3 275.402 3.066 20 30 CGEDHN C=CCC1(O)CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000895835617 619894937 /nfs/dbraw/zinc/89/49/37/619894937.db2.gz IXWDFKMWWVFHBH-ONEGZZNKSA-N 0 3 275.367 3.242 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(O)(CC=C)CC1 ZINC000895836181 619895246 /nfs/dbraw/zinc/89/52/46/619895246.db2.gz YHNWQGOPPQHJNA-UHFFFAOYSA-N 0 3 287.403 3.154 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCOC2(C)C)c([O-])c1 ZINC000840704949 620072656 /nfs/dbraw/zinc/07/26/56/620072656.db2.gz BHJKXWKQZPMVDX-IQFISFIMSA-N 0 3 290.407 3.225 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)CCOC)c([O-])c1 ZINC000840709724 620106105 /nfs/dbraw/zinc/10/61/05/620106105.db2.gz FYMGIWPCAPQFLQ-RAOBZKRQSA-N 0 3 292.423 3.330 20 30 CGEDHN COC1(CN(C)Cc2cc(C#N)cs2)CCCC1 ZINC000897625439 620412393 /nfs/dbraw/zinc/41/23/93/620412393.db2.gz IGBDHUZNTLCCOH-UHFFFAOYSA-N 0 3 264.394 3.011 20 30 CGEDHN CCC[C@@H](NCc1nc(C#N)cs1)[C@@H]1CC1(C)C ZINC000897625353 620413010 /nfs/dbraw/zinc/41/30/10/620413010.db2.gz BACXXNVESWCABP-NWDGAFQWSA-N 0 3 263.410 3.319 20 30 CGEDHN CCCCC1(NCc2cc(C#N)cnc2Cl)CC1 ZINC000897936554 620452341 /nfs/dbraw/zinc/45/23/41/620452341.db2.gz ZANDBFSUKHALLN-UHFFFAOYSA-N 0 3 263.772 3.419 20 30 CGEDHN N#Cc1csc(CNC[C@H]2CCC=CCCC2)n1 ZINC000898032237 620469913 /nfs/dbraw/zinc/46/99/13/620469913.db2.gz MVQMETRKDMKSSF-LBPRGKRZSA-N 0 3 261.394 3.241 20 30 CGEDHN C=CCN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000901315195 620858945 /nfs/dbraw/zinc/85/89/45/620858945.db2.gz QONPTNMGSLHJTD-UHFFFAOYSA-N 0 3 283.375 3.081 20 30 CGEDHN C#CCOc1ccc(CNCc2ccccc2NCC)cc1 ZINC000902583745 621381141 /nfs/dbraw/zinc/38/11/41/621381141.db2.gz FSRSUCUSUSLNCM-UHFFFAOYSA-N 0 3 294.398 3.420 20 30 CGEDHN C[C@H](NC[C@@H]1CCC2(CCCCC2)O1)c1cc(C#N)ccn1 ZINC000902969350 621502390 /nfs/dbraw/zinc/50/23/90/621502390.db2.gz DKWLZXCSELEGOT-HOCLYGCPSA-N 0 3 299.418 3.486 20 30 CGEDHN C=CCC[C@H](NCc1nccn1CC)[C@]1(C)CCCCO1 ZINC000903006121 621529177 /nfs/dbraw/zinc/52/91/77/621529177.db2.gz DLOIGJROYPUOQD-RDJZCZTQSA-N 0 3 291.439 3.287 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1cc(C#N)ccn1)C1CCCCC1 ZINC000903055559 621545486 /nfs/dbraw/zinc/54/54/86/621545486.db2.gz AKYZXJFSFZHDBS-SUMWQHHRSA-N 0 3 287.407 3.199 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903094323 621585285 /nfs/dbraw/zinc/58/52/85/621585285.db2.gz MQDIBOKUOXLUKN-JQWIXIFHSA-N 0 3 288.313 3.078 20 30 CGEDHN C=CCC[C@H](NCc1nc2c(s1)CCC2)[C@@H]1CCCO1 ZINC000903191183 621627782 /nfs/dbraw/zinc/62/77/82/621627782.db2.gz PGXFFGTYWFNAFX-JSGCOSHPSA-N 0 3 292.448 3.235 20 30 CGEDHN CCC[C@H](C)[C@@H](CC)NCc1nc(C#N)cs1 ZINC000903262230 621647890 /nfs/dbraw/zinc/64/78/90/621647890.db2.gz BNCFCXHGEPSVGV-CMPLNLGQSA-N 0 3 251.399 3.319 20 30 CGEDHN Cc1cc(Cl)cc(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905085057 622033593 /nfs/dbraw/zinc/03/35/93/622033593.db2.gz LTLGKGPHTMTSID-KUKWCLJQSA-N 0 3 287.750 3.389 20 30 CGEDHN CC(C)c1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905087164 622033898 /nfs/dbraw/zinc/03/38/98/622033898.db2.gz WNJMYXADPXBXHN-GYBQTFJISA-N 0 3 267.332 3.242 20 30 CGEDHN CC(C)c1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905084627 622033908 /nfs/dbraw/zinc/03/39/08/622033908.db2.gz JJHDPFLZQJFAOR-KYJZABPNSA-N 0 3 267.332 3.242 20 30 CGEDHN CSC1(CNC[C@H](C#N)CCC#N)CCCCC1 ZINC000905833323 622115088 /nfs/dbraw/zinc/11/50/88/622115088.db2.gz CYUODSSBUKDBEW-ZDUSSCGKSA-N 0 3 265.426 3.085 20 30 CGEDHN N#CCC[C@@H](C#N)CNCCC1(c2ccccc2)CC1 ZINC000905846039 622120457 /nfs/dbraw/zinc/12/04/57/622120457.db2.gz KCHCPBOSWSOWHG-HNNXBMFYSA-N 0 3 267.376 3.141 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000912100050 622605885 /nfs/dbraw/zinc/60/58/85/622605885.db2.gz LFSBFVDPFUMCKH-MRXNPFEDSA-N 0 3 290.382 3.000 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(Br)c(F)c1 ZINC000229899231 623175063 /nfs/dbraw/zinc/17/50/63/623175063.db2.gz WRJAUIWDKXCRRC-JTQLQIEISA-N 0 3 270.145 3.090 20 30 CGEDHN C#C[C@H](CC)NCc1cc(F)cc(Br)c1 ZINC000229967649 623183079 /nfs/dbraw/zinc/18/30/79/623183079.db2.gz YVOJWXKAMGIZGJ-GFCCVEGCSA-N 0 3 270.145 3.090 20 30 CGEDHN C=CCN1CCC(NC(=O)CCCCCCC)CC1 ZINC000171719903 623186237 /nfs/dbraw/zinc/18/62/37/623186237.db2.gz PDQNIAQFEJPXLN-UHFFFAOYSA-N 0 3 266.429 3.114 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992429660 623555106 /nfs/dbraw/zinc/55/51/06/623555106.db2.gz MQVLUYWMXZJLSQ-KVSKMBFKSA-N 0 3 298.430 3.089 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993312497 624010741 /nfs/dbraw/zinc/01/07/41/624010741.db2.gz NGDSFAXJZHXNCS-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993619673 624055571 /nfs/dbraw/zinc/05/55/71/624055571.db2.gz BUXCYLKFMDMAHD-HOCLYGCPSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993748086 624060673 /nfs/dbraw/zinc/06/06/73/624060673.db2.gz SXXBJHVPQNPAKD-HOCLYGCPSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993774480 624061888 /nfs/dbraw/zinc/06/18/88/624061888.db2.gz MIIUUIBWNXYQEH-WCQYABFASA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(CNCc1cnn(C2CCC2)c1)c1ccccc1 ZINC000921610577 625696347 /nfs/dbraw/zinc/69/63/47/625696347.db2.gz VFGNIMWIKIVUEE-UHFFFAOYSA-N 0 3 267.376 3.411 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)c1 ZINC000916897679 624221103 /nfs/dbraw/zinc/22/11/03/624221103.db2.gz PCPIGOGMBRFLSC-GFCCVEGCSA-N 0 3 294.301 3.078 20 30 CGEDHN CC(F)(F)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000920112869 624447407 /nfs/dbraw/zinc/44/74/07/624447407.db2.gz KGKIXSVINYWFSP-VIFPVBQESA-N 0 3 278.258 3.439 20 30 CGEDHN N#CC(C(=O)C1CCC=CCC1)c1nc2ccccc2[nH]1 ZINC000873495722 634390416 /nfs/dbraw/zinc/39/04/16/634390416.db2.gz WQGMAUNEUXNESV-CYBMUJFWSA-N 0 3 279.343 3.486 20 30 CGEDHN C#CCOc1ccccc1CNCCOc1cccc(F)c1 ZINC000237805326 624687147 /nfs/dbraw/zinc/68/71/47/624687147.db2.gz KVMQCBARDDRXRV-UHFFFAOYSA-N 0 3 299.345 3.006 20 30 CGEDHN Cc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc1C#N ZINC000922762116 626043524 /nfs/dbraw/zinc/04/35/24/626043524.db2.gz UEOJHOPOFHLUNG-CQSZACIVSA-N 0 3 292.382 3.480 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2[C@H](c3ccccc3)C2(F)F)o1 ZINC000922774561 626044082 /nfs/dbraw/zinc/04/40/82/626044082.db2.gz BGRINRWRIRYIMK-GJZGRUSLSA-N 0 3 288.297 3.290 20 30 CGEDHN C#Cc1ccc(NC(=O)CCN(C)Cc2ccoc2C)cc1 ZINC000929335457 626085121 /nfs/dbraw/zinc/08/51/21/626085121.db2.gz LBJREDXGDOKDFD-UHFFFAOYSA-N 0 3 296.370 3.030 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccnc(Cl)c1 ZINC000840785524 626175248 /nfs/dbraw/zinc/17/52/48/626175248.db2.gz IBNANYSVNAMLGR-SNVBAGLBSA-N 0 3 251.761 3.325 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001006320046 626181591 /nfs/dbraw/zinc/18/15/91/626181591.db2.gz QFZCITTVSGLDJX-WKILWMFISA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCN(CCCCCOC)Cc1ccc(F)cc1 ZINC000103227195 626268228 /nfs/dbraw/zinc/26/82/28/626268228.db2.gz CNCZSGGPOZLLQY-UHFFFAOYSA-N 0 3 263.356 3.078 20 30 CGEDHN C#CCOCCN[C@@H](c1ccccc1Cl)C(C)C ZINC000753760403 626464985 /nfs/dbraw/zinc/46/49/85/626464985.db2.gz JOMARTCECWJMAA-OAHLLOKOSA-N 0 3 265.784 3.277 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CC(F)(F)C3)nc21 ZINC000753811811 626466626 /nfs/dbraw/zinc/46/66/26/626466626.db2.gz WDAMAKBBLBMOHD-SNVBAGLBSA-N 0 3 289.285 3.093 20 30 CGEDHN C=CCCOCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756777163 626731169 /nfs/dbraw/zinc/73/11/69/626731169.db2.gz WEVKNTBKBGLPRP-YPMHNXCESA-N 0 3 279.355 3.262 20 30 CGEDHN Clc1ccccc1[C@@H]1CCCC1=Nn1cnnc1 ZINC000758069912 626825874 /nfs/dbraw/zinc/82/58/74/626825874.db2.gz OHGOCIMQJDBHBB-NSHDSACASA-N 0 3 260.728 3.103 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000758633180 626851816 /nfs/dbraw/zinc/85/18/16/626851816.db2.gz SSVVXJWIBPXJGQ-LJQANCHMSA-N 0 3 292.382 3.335 20 30 CGEDHN CC(=N[N-]c1[nH+]ccn1C)c1cccc(C(F)(F)F)c1 ZINC000790299686 626964217 /nfs/dbraw/zinc/96/42/17/626964217.db2.gz IRPCOVMKQTUUJY-UHFFFAOYSA-N 0 3 282.269 3.275 20 30 CGEDHN N#Cc1ccc([C@@H](O)CNCc2cc3ccccc3o2)cc1 ZINC000763232174 627146033 /nfs/dbraw/zinc/14/60/33/627146033.db2.gz RONAGMRCOSVRDP-KRWDZBQOSA-N 0 3 292.338 3.128 20 30 CGEDHN C#CCN(Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000764676340 627217883 /nfs/dbraw/zinc/21/78/83/627217883.db2.gz JYZPVONOCAQCJQ-UHFFFAOYSA-N 0 3 294.192 3.061 20 30 CGEDHN C#CCN(Cc1ccc(N(CC)CC)cc1)C1CC1 ZINC000764682670 627218234 /nfs/dbraw/zinc/21/82/34/627218234.db2.gz KWOJRJAXYZTBOW-UHFFFAOYSA-N 0 3 256.393 3.130 20 30 CGEDHN C#CCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767876636 627441046 /nfs/dbraw/zinc/44/10/46/627441046.db2.gz LHJBIKGEHHMQIE-LBPRGKRZSA-N 0 3 253.267 3.128 20 30 CGEDHN C#CCCOc1ccc(CN2CC=C(C)CC2)cc1 ZINC000769445078 627552842 /nfs/dbraw/zinc/55/28/42/627552842.db2.gz DOCZFQNJLYPBLU-UHFFFAOYSA-N 0 3 255.361 3.241 20 30 CGEDHN C#CCCCCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000773401798 627880659 /nfs/dbraw/zinc/88/06/59/627880659.db2.gz UEDFPEDETCTEJT-UHFFFAOYSA-N 0 3 298.430 3.309 20 30 CGEDHN C#C[C@H](NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CCCO1 ZINC000773857627 627920184 /nfs/dbraw/zinc/92/01/84/627920184.db2.gz KYPYAZDFWWMHBC-GJZGRUSLSA-N 0 3 298.213 3.306 20 30 CGEDHN CC(C)[C@@H](NCc1ccc(OCC#N)cc1)c1cccnc1 ZINC000774448252 627991987 /nfs/dbraw/zinc/99/19/87/627991987.db2.gz APEWPFKAECIMJE-GOSISDBHSA-N 0 3 295.386 3.471 20 30 CGEDHN C[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1O ZINC000775131205 628066471 /nfs/dbraw/zinc/06/64/71/628066471.db2.gz TYIZNGUJWYRMGD-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN C#C[C@H](N[C@H](CCC)c1ccccc1)[C@H]1CCCO1 ZINC000775572058 628108699 /nfs/dbraw/zinc/10/86/99/628108699.db2.gz OKVQKAXVYHQWPN-GVDBMIGSSA-N 0 3 257.377 3.298 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1ccc(C)cc1C)[C@H]1CCCO1 ZINC000775572461 628108854 /nfs/dbraw/zinc/10/88/54/628108854.db2.gz AVANQIXXGFSRED-BHYGNILZSA-N 0 3 257.377 3.135 20 30 CGEDHN C#CCN(CCOC1CCC1)[C@@H]1CCc2ccccc21 ZINC000805735729 628664764 /nfs/dbraw/zinc/66/47/64/628664764.db2.gz MICSSDMFBFYOEY-GOSISDBHSA-N 0 3 269.388 3.178 20 30 CGEDHN Cc1ccc(C2CC(NCc3ccc(C#N)cn3)C2)cc1 ZINC000783301612 628701565 /nfs/dbraw/zinc/70/15/65/628701565.db2.gz ZKMUEMJHHJILCE-UHFFFAOYSA-N 0 3 277.371 3.298 20 30 CGEDHN C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783522538 628721488 /nfs/dbraw/zinc/72/14/88/628721488.db2.gz PEOVTGLLBWELAE-AWEZNQCLSA-N 0 3 281.355 3.255 20 30 CGEDHN C#C[C@@H](C)N(C)CCc1cc(Cl)ccc1Cl ZINC000785832913 628890728 /nfs/dbraw/zinc/89/07/28/628890728.db2.gz JWQTUUZEANVJPR-SNVBAGLBSA-N 0 3 256.176 3.489 20 30 CGEDHN C#CCN[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000787995186 629038445 /nfs/dbraw/zinc/03/84/45/629038445.db2.gz OEOCPBSFBVXFSL-HOTGVXAUSA-N 0 3 294.801 3.226 20 30 CGEDHN N#CCCCCN[C@H]1COCc2cccc(Cl)c21 ZINC000788591456 629065728 /nfs/dbraw/zinc/06/57/28/629065728.db2.gz YOVHXXRUDAQSJA-ZDUSSCGKSA-N 0 3 264.756 3.195 20 30 CGEDHN C#CCN(C[C@@H]1CC[C@H](C)O1)[C@H]1CCc2ccccc21 ZINC000789308721 629122784 /nfs/dbraw/zinc/12/27/84/629122784.db2.gz AZCAEARBAGOVHQ-ZVZYQTTQSA-N 0 3 269.388 3.177 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H]2CCC[C@@H](C)C2)n1 ZINC000789325333 629123947 /nfs/dbraw/zinc/12/39/47/629123947.db2.gz CMRGYESJYMTDPP-CVEARBPZSA-N 0 3 273.424 3.165 20 30 CGEDHN C=CCC[C@@H](OC(=O)C1CCN(C2CC2)CC1)C1CC1 ZINC000805900516 629158021 /nfs/dbraw/zinc/15/80/21/629158021.db2.gz POTMVFRYNZHCRB-MRXNPFEDSA-N 0 3 277.408 3.149 20 30 CGEDHN CC(N=Nc1ccc(F)cc1Br)c1ncc[nH]1 ZINC000790154183 629187096 /nfs/dbraw/zinc/18/70/96/629187096.db2.gz QRNUOHFRCKNODZ-UHFFFAOYSA-N 0 3 297.131 3.147 20 30 CGEDHN C=C(C)[C@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805916233 629192221 /nfs/dbraw/zinc/19/22/21/629192221.db2.gz DOWFMNHJJOHQKA-AWEZNQCLSA-N 0 3 273.376 3.404 20 30 CGEDHN C=CCN(C(C)C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790266890 629198584 /nfs/dbraw/zinc/19/85/84/629198584.db2.gz RHVZSCNLKVGTGL-QGZVFWFLSA-N 0 3 286.419 3.074 20 30 CGEDHN CCCCCCCCN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000791589889 629291330 /nfs/dbraw/zinc/29/13/30/629291330.db2.gz JKEHZHRXMCVYSG-HZPDHXFCSA-N 0 3 269.429 3.227 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2sccc2Br)C1 ZINC000862445243 629377736 /nfs/dbraw/zinc/37/77/36/629377736.db2.gz OWPBFHUCAUPDSW-SNVBAGLBSA-N 0 3 284.222 3.356 20 30 CGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NNCCC(C)(C)C ZINC000794928099 629600325 /nfs/dbraw/zinc/60/03/25/629600325.db2.gz BBBICUUCWCDOGY-UHFFFAOYSA-N 0 3 299.422 3.123 20 30 CGEDHN Cc1ccncc1CN(C)CCCOc1ccc(C#N)cc1 ZINC000796507990 629791490 /nfs/dbraw/zinc/79/14/90/629791490.db2.gz SXHAEALWDFYIRL-UHFFFAOYSA-N 0 3 295.386 3.163 20 30 CGEDHN N#CC(C(=O)[C@H]1CCC(F)(F)C1)c1nc2ccccc2[nH]1 ZINC000796619581 629805947 /nfs/dbraw/zinc/80/59/47/629805947.db2.gz PLHOOYKJANSVAK-UWVGGRQHSA-N 0 3 289.285 3.175 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000798086883 630021092 /nfs/dbraw/zinc/02/10/92/630021092.db2.gz XHVWHCGTPSQUAH-BLLLJJGKSA-N 0 3 295.810 3.425 20 30 CGEDHN N#Cc1csc(CN2CC[C@@H](c3ccccn3)C2)c1 ZINC000798963057 630129762 /nfs/dbraw/zinc/12/97/62/630129762.db2.gz WGNYHGURKQRIIE-CYBMUJFWSA-N 0 3 269.373 3.004 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](c3ccccn3)C2)ccc1F ZINC000799189851 630155749 /nfs/dbraw/zinc/15/57/49/630155749.db2.gz HSRCCWABWMMAEA-AWEZNQCLSA-N 0 3 281.334 3.082 20 30 CGEDHN CC(C)CN(CCO[C@@H](C)C#N)Cc1ccccc1F ZINC000801915234 630365509 /nfs/dbraw/zinc/36/55/09/630365509.db2.gz LMAKCIMPSWPSFP-AWEZNQCLSA-N 0 3 278.371 3.212 20 30 CGEDHN C[C@@H](C#N)OCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000801938556 630371229 /nfs/dbraw/zinc/37/12/29/630371229.db2.gz GRVJCGZCCWUPGB-LBPRGKRZSA-N 0 3 294.345 3.252 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OC)c(OCCCC)c1 ZINC000809686099 630781982 /nfs/dbraw/zinc/78/19/82/630781982.db2.gz ORNYRBDJPZVJEH-OAHLLOKOSA-N 0 3 275.392 3.376 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3(CCF)CC3)nc21 ZINC000810590544 630899071 /nfs/dbraw/zinc/89/90/71/630899071.db2.gz OSWUNJRQORPYDC-NSHDSACASA-N 0 3 285.322 3.187 20 30 CGEDHN C#Cc1ccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811510575 631078712 /nfs/dbraw/zinc/07/87/12/631078712.db2.gz KHIPRXVZDBINNP-IRXDYDNUSA-N 0 3 269.388 3.057 20 30 CGEDHN C(NN=C1CCCC[C@@H]1N1CCCCC1)[C@H]1CCSC1 ZINC000811659946 631101923 /nfs/dbraw/zinc/10/19/23/631101923.db2.gz CHNMEDQKJGRWAM-ZBFHGGJFSA-N 0 3 295.496 3.114 20 30 CGEDHN C#C[C@@H](N[C@H](C)Cc1cccc(OC)n1)c1ccc(F)cc1 ZINC000812793710 631311859 /nfs/dbraw/zinc/31/18/59/631311859.db2.gz BOAJBWFYRKNYIE-CXAGYDPISA-N 0 3 298.361 3.124 20 30 CGEDHN Cc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)cc(C)n1 ZINC000817409708 632140985 /nfs/dbraw/zinc/14/09/85/632140985.db2.gz FBBFVKCXQHQRNS-OAHLLOKOSA-N 0 3 295.386 3.279 20 30 CGEDHN CC(C)c1ccc2c(c1)CCCN2C(=O)[C@@H](N)CCCC#N ZINC000818060606 632282839 /nfs/dbraw/zinc/28/28/39/632282839.db2.gz RMKAQIUQDCSOBG-INIZCTEOSA-N 0 3 299.418 3.110 20 30 CGEDHN CN(CCC(=O)C(C)(C)C)CCc1cccc(C#N)c1 ZINC000879433540 635787170 /nfs/dbraw/zinc/78/71/70/635787170.db2.gz WDDAAVJVPIIIAZ-UHFFFAOYSA-N 0 3 272.392 3.038 20 30 CGEDHN Cc1cc(N(C)C)ccc1C=NN[C@H](C)c1ccncc1 ZINC000819819124 632526701 /nfs/dbraw/zinc/52/67/01/632526701.db2.gz SAGZWTOPJDAWLM-CQSZACIVSA-N 0 3 282.391 3.141 20 30 CGEDHN CC(C)(NCc1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000865746502 632875136 /nfs/dbraw/zinc/87/51/36/632875136.db2.gz OAEWEAUCIPLARQ-HNNXBMFYSA-N 0 3 276.355 3.135 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000823525194 633117044 /nfs/dbraw/zinc/11/70/44/633117044.db2.gz YLTQTSSTICUSIC-VXGBXAGGSA-N 0 3 288.819 3.164 20 30 CGEDHN N#CC1(CN[C@H](C2CCC2)[C@@H]2CCCO2)CCCCC1 ZINC000866391013 633117993 /nfs/dbraw/zinc/11/79/93/633117993.db2.gz YLIJOWNGVNWCQW-JKSUJKDBSA-N 0 3 276.424 3.398 20 30 CGEDHN C#C[C@H](N[C@H]1CSC[C@@H]1C)c1ccc(Cl)cc1 ZINC000824417539 633243849 /nfs/dbraw/zinc/24/38/49/633243849.db2.gz XNSZGFZKFWKTBV-BPNCWPANSA-N 0 3 265.809 3.355 20 30 CGEDHN C#CCOc1ccc(CNCc2cc(C)cs2)cc1 ZINC000824750104 633283307 /nfs/dbraw/zinc/28/33/07/633283307.db2.gz DETSSMOLYXYONV-UHFFFAOYSA-N 0 3 271.385 3.358 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000876586496 634862593 /nfs/dbraw/zinc/86/25/93/634862593.db2.gz AFNFAKUCIWAQBV-SKDRFNHKSA-N 0 3 286.828 3.012 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000876591956 634864631 /nfs/dbraw/zinc/86/46/31/634864631.db2.gz DBFBVLISOLROSK-KGLIPLIRSA-N 0 3 294.826 3.360 20 30 CGEDHN C#C[C@@H](NCc1ccc(O[C@@H](C)COC)cc1)C(C)(C)C ZINC000825939654 633389571 /nfs/dbraw/zinc/38/95/71/633389571.db2.gz FQKIRPCTFUZSOZ-WMLDXEAASA-N 0 3 289.419 3.238 20 30 CGEDHN Cc1cc(Cl)cc(CN2CCC[C@@H](CC#N)C2)c1O ZINC000826861937 633438012 /nfs/dbraw/zinc/43/80/12/633438012.db2.gz OHHSDRMIMKCHFZ-LBPRGKRZSA-N 0 3 278.783 3.480 20 30 CGEDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1[O-] ZINC000826861937 633438014 /nfs/dbraw/zinc/43/80/14/633438014.db2.gz OHHSDRMIMKCHFZ-LBPRGKRZSA-N 0 3 278.783 3.480 20 30 CGEDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1[O-] ZINC000826861937 633438017 /nfs/dbraw/zinc/43/80/17/633438017.db2.gz OHHSDRMIMKCHFZ-LBPRGKRZSA-N 0 3 278.783 3.480 20 30 CGEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000829775170 633780313 /nfs/dbraw/zinc/78/03/13/633780313.db2.gz YUBMUEIVOAAOKA-IRXDYDNUSA-N 0 3 298.430 3.366 20 30 CGEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000829769666 633781352 /nfs/dbraw/zinc/78/13/52/633781352.db2.gz YVABRPHQGMUBGE-SJORKVTESA-N 0 3 298.430 3.163 20 30 CGEDHN C#CCCCN1CC2(CCCC2)N(CCCC#C)C[C@@H]1C ZINC000830924206 633898989 /nfs/dbraw/zinc/89/89/89/633898989.db2.gz UTHHZRDBKKBWGI-SFHVURJKSA-N 0 3 286.463 3.132 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C2=CC[C@@H](C)CC2)nc(C)n1 ZINC000835060604 634341557 /nfs/dbraw/zinc/34/15/57/634341557.db2.gz RXBPPLSCHZAZAC-QMTHXVAHSA-N 0 3 269.348 3.016 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000876665323 634877663 /nfs/dbraw/zinc/87/76/63/634877663.db2.gz TWPUTPOTQADWIY-STQMWFEESA-N 0 3 286.847 3.131 20 30 CGEDHN C=CCCCC(=O)OCCN(C)Cc1ccccc1 ZINC000837560795 634934467 /nfs/dbraw/zinc/93/44/67/634934467.db2.gz XBMGMBSUZKAKIP-UHFFFAOYSA-N 0 3 261.365 3.018 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000876958098 634937883 /nfs/dbraw/zinc/93/78/83/634937883.db2.gz RIOLRVGISMOCRS-CHWSQXEVSA-N 0 3 284.831 3.076 20 30 CGEDHN C#C[C@@H](NCc1cnc2c(F)cccc2c1)C(C)C ZINC000877512905 635065390 /nfs/dbraw/zinc/06/53/90/635065390.db2.gz FSEXSVLWAGWAKM-OAHLLOKOSA-N 0 3 256.324 3.121 20 30 CGEDHN C#C[C@@H](NCc1cccc(Cl)c1N)C(C)(C)C ZINC000877534843 635076460 /nfs/dbraw/zinc/07/64/60/635076460.db2.gz OWIDTGZIVTZHRU-GFCCVEGCSA-N 0 3 250.773 3.060 20 30 CGEDHN CC(=O)Nc1cccc2c1CN(CC(C)(C)CCC#N)CC2 ZINC000877680899 635142965 /nfs/dbraw/zinc/14/29/65/635142965.db2.gz AFHZJJMFMCGDHH-UHFFFAOYSA-N 0 3 299.418 3.333 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CCCC[C@@H]1C)c1ccccc1 ZINC000877935330 635279340 /nfs/dbraw/zinc/27/93/40/635279340.db2.gz JNDUFNZKSXFOTH-MAUKXSAKSA-N 0 3 284.403 3.301 20 30 CGEDHN N#C[C@H](OC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000842315143 635323990 /nfs/dbraw/zinc/32/39/90/635323990.db2.gz OCHCZBGVAVWFRT-KRWDZBQOSA-N 0 3 298.386 3.131 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000126961276 635417290 /nfs/dbraw/zinc/41/72/90/635417290.db2.gz NGACVJBOPZHQMI-KRWDZBQOSA-N 0 3 298.411 3.341 20 30 CGEDHN C#CCCCCCN1CCC2(C1)Oc1ccccc1O2 ZINC000878626059 635576864 /nfs/dbraw/zinc/57/68/64/635576864.db2.gz LHWCRTAQJVSQGE-UHFFFAOYSA-N 0 3 271.360 3.053 20 30 CGEDHN CN(CC[C@@H]1CCCC1(F)F)[C@@H]1CCC[C@H]1C#N ZINC000879309501 635752852 /nfs/dbraw/zinc/75/28/52/635752852.db2.gz NUSWLOSIBOWSID-RWMBFGLXSA-N 0 3 256.340 3.436 20 30 CGEDHN C[C@H](C#N)OCCN1CCCC[C@H]1Cc1ccccc1F ZINC000844413135 635893644 /nfs/dbraw/zinc/89/36/44/635893644.db2.gz FQBGSRYTCUYGRN-ZBFHGGJFSA-N 0 3 290.382 3.151 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844438364 635900642 /nfs/dbraw/zinc/90/06/42/635900642.db2.gz NQRNGNBHJSNLHN-OAHLLOKOSA-N 0 3 292.329 3.058 20 30 CGEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000880462140 636004770 /nfs/dbraw/zinc/00/47/70/636004770.db2.gz PIJJBWRSKUUATF-SFHVURJKSA-N 0 3 298.361 3.253 20 30 CGEDHN N#CC(C(=O)[C@@H]1C[C@@H]1C1CCCC1)c1ccccn1 ZINC000845441780 636036468 /nfs/dbraw/zinc/03/64/68/636036468.db2.gz UOMATXSOVMYRKB-MCIONIFRSA-N 0 3 254.333 3.084 20 30 CGEDHN Cc1cc(O)c(CNCC2(C#N)CCCC2)cc1C ZINC000846011797 636128959 /nfs/dbraw/zinc/12/89/59/636128959.db2.gz ZOKILZYCHREUPQ-UHFFFAOYSA-N 0 3 258.365 3.183 20 30 CGEDHN C#C[C@@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000847020300 636312977 /nfs/dbraw/zinc/31/29/77/636312977.db2.gz ARHCKLKOBCPQGN-UONOGXRCSA-N 0 3 272.348 3.309 20 30 CGEDHN O=[N+]([O-])c1cccc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848399371 636567750 /nfs/dbraw/zinc/56/77/50/636567750.db2.gz PHKGFMZOIGPOSS-HNNXBMFYSA-N 0 3 288.351 3.011 20 30 CGEDHN C=CCC[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000883200207 636580959 /nfs/dbraw/zinc/58/09/59/636580959.db2.gz CXCICPHRXHPGQL-GOEBONIOSA-N 0 3 290.363 3.198 20 30 CGEDHN C=CCCC[C@H](N[C@H](CC)C(=O)NC)c1ccccc1 ZINC000883228769 636600385 /nfs/dbraw/zinc/60/03/85/636600385.db2.gz UDEBJLQPHRBWJJ-CVEARBPZSA-N 0 3 274.408 3.198 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848784906 636657420 /nfs/dbraw/zinc/65/74/20/636657420.db2.gz HHSFISYYMGAPJW-WMZOPIPTSA-N 0 3 297.402 3.190 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848784905 636657662 /nfs/dbraw/zinc/65/76/62/636657662.db2.gz HHSFISYYMGAPJW-SJLPKXTDSA-N 0 3 297.402 3.190 20 30 CGEDHN CCc1cccc(C[NH2+]CC(C)(C)CCC#N)c1[O-] ZINC000848911600 636685982 /nfs/dbraw/zinc/68/59/82/636685982.db2.gz HNPJKZPDXWQMBE-UHFFFAOYSA-N 0 3 260.381 3.374 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000848923399 636694421 /nfs/dbraw/zinc/69/44/21/636694421.db2.gz DEOUTOLRYRQQPZ-HNNXBMFYSA-N 0 3 297.377 3.165 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000848923688 636695191 /nfs/dbraw/zinc/69/51/91/636695191.db2.gz IKDLYAIVXXDMQN-HNNXBMFYSA-N 0 3 297.377 3.165 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000883400936 636740896 /nfs/dbraw/zinc/74/08/96/636740896.db2.gz YKOAXTQYWVWQMR-ZDUSSCGKSA-N 0 3 280.437 3.217 20 30 CGEDHN Cc1cccc(C)c1CNCc1cnc2ccc(C#N)cn12 ZINC000132153539 636788030 /nfs/dbraw/zinc/78/80/30/636788030.db2.gz DHLLJQKVYLHZBI-UHFFFAOYSA-N 0 3 290.370 3.113 20 30 CGEDHN C=CCCCCCCCNCc1cc2n(n1)CCC2 ZINC000850302464 637010425 /nfs/dbraw/zinc/01/04/25/637010425.db2.gz MPUZLLRFRHMNSB-UHFFFAOYSA-N 0 3 261.413 3.446 20 30 CGEDHN C#CC[C@H]1CCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000886363765 637513701 /nfs/dbraw/zinc/51/37/01/637513701.db2.gz CGYCUUQARBUROF-OLZOCXBDSA-N 0 3 254.333 3.234 20 30 CGEDHN C#CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1CCN(C)CC1 ZINC000886572460 637587358 /nfs/dbraw/zinc/58/73/58/637587358.db2.gz MWNYKOOSXZTAEY-OAHLLOKOSA-N 0 3 292.467 3.005 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(SC)c(OC)c1 ZINC000852099320 637592185 /nfs/dbraw/zinc/59/21/85/637592185.db2.gz JVBHKTQTRBHMBC-HNNXBMFYSA-N 0 3 263.406 3.309 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cccc(OC(F)F)c1 ZINC000852099173 637592925 /nfs/dbraw/zinc/59/29/25/637592925.db2.gz GDKXQGNLANELFI-AWEZNQCLSA-N 0 3 253.292 3.180 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000852100989 637596157 /nfs/dbraw/zinc/59/61/57/637596157.db2.gz MCECOAALDHPTFS-SFHVURJKSA-N 0 3 283.371 3.301 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cccc(C(=O)C(F)(F)F)c1 ZINC000852103202 637597141 /nfs/dbraw/zinc/59/71/41/637597141.db2.gz AHYQTYHJVDTOKT-AWEZNQCLSA-N 0 3 283.293 3.323 20 30 CGEDHN C(=Nn1cnnc1-c1ccccc1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000853283757 637800604 /nfs/dbraw/zinc/80/06/04/637800604.db2.gz BXAFKWYZUHYAJK-VHDGCEQUSA-N 0 3 266.348 3.215 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](CC(C)C)CC1=O ZINC000853598422 637871508 /nfs/dbraw/zinc/87/15/08/637871508.db2.gz QRKDHABAACBATO-OAGGEKHMSA-N 0 3 276.424 3.022 20 30 CGEDHN C#CCCOc1ccc(CNCc2ccccc2)cc1 ZINC000113312777 638185540 /nfs/dbraw/zinc/18/55/40/638185540.db2.gz JSILGKPPVRMGPN-UHFFFAOYSA-N 0 3 265.356 3.379 20 30 CGEDHN C#CCSCCN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000925452522 638505372 /nfs/dbraw/zinc/50/53/72/638505372.db2.gz CGLUEQRGCNERGH-CYBMUJFWSA-N 0 3 280.824 3.068 20 30 CGEDHN Cc1ncccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000858274296 638670734 /nfs/dbraw/zinc/67/07/34/638670734.db2.gz XTFOLXINWFZKQZ-UHFFFAOYSA-N 0 3 294.402 3.030 20 30 CGEDHN C#CC[C@@H](COC)NCc1ccc(OCC=C)c(Cl)c1 ZINC000858334879 638685108 /nfs/dbraw/zinc/68/51/08/638685108.db2.gz HFFQIKXQMPFJKY-AWEZNQCLSA-N 0 3 293.794 3.033 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1ccnc(OC(F)F)c1 ZINC000926376821 638767583 /nfs/dbraw/zinc/76/75/83/638767583.db2.gz FQZQWURZMZGHQT-SNVBAGLBSA-N 0 3 283.322 3.101 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926863841 638819037 /nfs/dbraw/zinc/81/90/37/638819037.db2.gz MJZFMQGOXJDJLD-DZGCQCFKSA-N 0 3 286.375 3.319 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)[C@H](C)[C@H](C)O1 ZINC000930251008 638986217 /nfs/dbraw/zinc/98/62/17/638986217.db2.gz HYCQMDQDJHOYIY-KFWWJZLASA-N 0 3 264.413 3.348 20 30 CGEDHN C#Cc1ccc(NC(=O)CCN(C)Cc2occc2C)cc1 ZINC000930555043 639024342 /nfs/dbraw/zinc/02/43/42/639024342.db2.gz SGPSXDBYTSVKKP-UHFFFAOYSA-N 0 3 296.370 3.030 20 30 CGEDHN CC[C@H](CC#N)NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000930691831 639053363 /nfs/dbraw/zinc/05/33/63/639053363.db2.gz AISMCOHYJVQUEK-CYBMUJFWSA-N 0 3 295.427 3.058 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H](CC#N)C1 ZINC000930925525 639087012 /nfs/dbraw/zinc/08/70/12/639087012.db2.gz ZKACWILDVQTWDO-OAHLLOKOSA-N 0 3 267.376 3.301 20 30 CGEDHN C=CC[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000859446436 639143350 /nfs/dbraw/zinc/14/33/50/639143350.db2.gz ZWZNNWLZBVTNNG-ABAIWWIYSA-N 0 3 283.774 3.411 20 30 CGEDHN N#Cc1ccc(OCCN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000932377378 639322979 /nfs/dbraw/zinc/32/29/79/639322979.db2.gz BLFFQJJVJRQHKD-GOSISDBHSA-N 0 3 293.370 3.073 20 30 CGEDHN Cc1oncc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612114 639469756 /nfs/dbraw/zinc/46/97/56/639469756.db2.gz PPFOEXQACBBOEQ-UHFFFAOYSA-N 0 3 281.359 3.234 20 30 CGEDHN O=C1C=COC2(CCN(Cc3ccc(C4CC4)cc3)CC2)C1 ZINC000933645110 639473753 /nfs/dbraw/zinc/47/37/53/639473753.db2.gz ISQUQRGEVQLKEE-UHFFFAOYSA-N 0 3 297.398 3.402 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000934465596 639613415 /nfs/dbraw/zinc/61/34/15/639613415.db2.gz DPGMQJLHDDNZFH-INIZCTEOSA-N 0 3 295.382 3.432 20 30 CGEDHN N#Cc1cnccc1CNC1(C2CCCCC2)CC1 ZINC000934787529 639676761 /nfs/dbraw/zinc/67/67/61/639676761.db2.gz BHGXLVGZKUDHEV-UHFFFAOYSA-N 0 3 255.365 3.156 20 30 CGEDHN C=C(Br)CN1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837144 639686286 /nfs/dbraw/zinc/68/62/86/639686286.db2.gz RONSZWHQIVCKKC-QWHCGFSZSA-N 0 3 288.229 3.034 20 30 CGEDHN N#CC(C(=O)CCc1cccc(F)c1F)c1ccccn1 ZINC000159749505 640067031 /nfs/dbraw/zinc/06/70/31/640067031.db2.gz IYRJAXXWOUODKT-GFCCVEGCSA-N 0 3 286.281 3.169 20 30 CGEDHN CCCCCCCCCN[C@@H](C)c1nncn1C ZINC000088279027 640615954 /nfs/dbraw/zinc/61/59/54/640615954.db2.gz QJDUEOPGWLXZAW-ZDUSSCGKSA-N 0 3 252.406 3.216 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1 ZINC000245754752 640635701 /nfs/dbraw/zinc/63/57/01/640635701.db2.gz OKJFBSMWZHLLFH-MCIONIFRSA-N 0 3 290.432 3.303 20 30 CGEDHN C#CCN(CCO[C@H]1CCCCO1)[C@H]1CCc2ccccc21 ZINC000249728303 640806947 /nfs/dbraw/zinc/80/69/47/640806947.db2.gz VBPAMCVCJPBIHX-OALUTQOASA-N 0 3 299.414 3.152 20 30 CGEDHN C#C[C@@H](NCc1cnc(C(C)(C)C)s1)C(C)C ZINC000306014235 640910338 /nfs/dbraw/zinc/91/03/38/640910338.db2.gz XFJXWSHJJPUVJU-GFCCVEGCSA-N 0 3 250.411 3.188 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCCCC1 ZINC001017500723 641013181 /nfs/dbraw/zinc/01/31/81/641013181.db2.gz GGESZIZSCZQEEC-CALCHBBNSA-N 0 3 288.435 3.128 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 ZINC001018321019 641022338 /nfs/dbraw/zinc/02/23/38/641022338.db2.gz VEFJQMZTTJZTTH-OIISXLGYSA-N 0 3 290.451 3.064 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)CCCCC ZINC001157041617 805767913 /nfs/dbraw/zinc/76/79/13/805767913.db2.gz PXJIPEALJNYKFL-HZPDHXFCSA-N 0 3 280.456 3.053 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cscc1C ZINC001157768222 805866811 /nfs/dbraw/zinc/86/68/11/805866811.db2.gz CAOBYBSJRRRNKC-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1CCC(F)CC1 ZINC001158433890 805955531 /nfs/dbraw/zinc/95/55/31/805955531.db2.gz BTCBXEDLJXBKKD-UYSNPLJNSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCC(C)C ZINC001158518731 805962230 /nfs/dbraw/zinc/96/22/30/805962230.db2.gz LIDSEHDNPPCSFA-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN CCCCCCCC[C@@H](O)CN[C@H](C)c1cncnc1 ZINC001252133169 806018565 /nfs/dbraw/zinc/01/85/65/806018565.db2.gz GXYFJRKOLQQTBA-GDBMZVCRSA-N 0 3 279.428 3.239 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCOC[C@@H]1C1CC1 ZINC001252133775 806020381 /nfs/dbraw/zinc/02/03/81/806020381.db2.gz SIJZVGMULIFGOV-DLBZAZTESA-N 0 3 283.456 3.209 20 30 CGEDHN C=C[C@](C)(O)CNc1ccnc(-c2ccccc2)c1 ZINC001252543504 806060865 /nfs/dbraw/zinc/06/08/65/806060865.db2.gz UCBNLABAXQMVPU-INIZCTEOSA-N 0 3 254.333 3.098 20 30 CGEDHN C=C[C@](C)(O)CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001252558162 806063616 /nfs/dbraw/zinc/06/36/16/806063616.db2.gz NBBOTXVQQCRISY-CABCVRRESA-N 0 3 267.319 3.039 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCc1c[nH]cn1 ZINC001252978983 806144049 /nfs/dbraw/zinc/14/40/49/806144049.db2.gz HTUIDLMRBAZGPZ-MRXNPFEDSA-N 0 3 281.444 3.391 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001160466098 806275162 /nfs/dbraw/zinc/27/51/62/806275162.db2.gz AUGLVVNGTPLFCT-QGZVFWFLSA-N 0 3 288.435 3.057 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001160689819 806296392 /nfs/dbraw/zinc/29/63/92/806296392.db2.gz SOORHTFETZNMTR-SJORKVTESA-N 0 3 286.419 3.294 20 30 CGEDHN CCCCOC(=O)CC[C@H](C)N1CCC[C@H](CC#N)C1 ZINC001257399520 807137045 /nfs/dbraw/zinc/13/70/45/807137045.db2.gz DAVQOGALRROCLP-LSDHHAIUSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001161125791 806351360 /nfs/dbraw/zinc/35/13/60/806351360.db2.gz AUQOGMHYJDOHQW-SJORKVTESA-N 0 3 290.451 3.137 20 30 CGEDHN CCOc1ccc(CN(C)CCC(C)(C)C#N)cc1OC ZINC001254211028 806366442 /nfs/dbraw/zinc/36/64/42/806366442.db2.gz GDEZEWOOERCSIC-UHFFFAOYSA-N 0 3 290.407 3.466 20 30 CGEDHN C[C@@H](CC#N)NC1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254349085 806383724 /nfs/dbraw/zinc/38/37/24/806383724.db2.gz IIBHGFDPNSCXMU-IGEOTXOUSA-N 0 3 285.366 3.421 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001161729253 806438802 /nfs/dbraw/zinc/43/88/02/806438802.db2.gz QABSUKHWCODELU-QGZVFWFLSA-N 0 3 292.467 3.383 20 30 CGEDHN CC[C@@H](CC#N)NC1CCN(c2ccc(F)cc2)CC1 ZINC001254618407 806461682 /nfs/dbraw/zinc/46/16/82/806461682.db2.gz JJIYDESQSIUBIO-AWEZNQCLSA-N 0 3 275.371 3.076 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](CCO)c2cccc(Cl)c2)C1 ZINC001254644307 806469827 /nfs/dbraw/zinc/46/98/27/806469827.db2.gz RHHHSECZJYHKTK-BYCMXARLSA-N 0 3 278.783 3.045 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1cc(F)cc(F)c1 ZINC001254644612 806469895 /nfs/dbraw/zinc/46/98/95/806469895.db2.gz UBILZIGUMPDOSP-RULNRJAQSA-N 0 3 250.292 3.308 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001254661466 806478219 /nfs/dbraw/zinc/47/82/19/806478219.db2.gz UKLDCJFQUFMFTO-DOTOQJQBSA-N 0 3 279.387 3.236 20 30 CGEDHN CC(=O)C1(c2ccccc2)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254667169 806479389 /nfs/dbraw/zinc/47/93/89/806479389.db2.gz ALIYEBMABXDVMP-WMZOPIPTSA-N 0 3 296.414 3.301 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2[C@H]2CC[C@@H](C#N)C2)cn1 ZINC001254672464 806482238 /nfs/dbraw/zinc/48/22/38/806482238.db2.gz BKXRYDYCXUDJGA-KBMXLJTQSA-N 0 3 255.365 3.219 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc2cc(OC)ccc2c1 ZINC001255014487 806526237 /nfs/dbraw/zinc/52/62/37/806526237.db2.gz YJQCCYSHAKWEDB-INIZCTEOSA-N 0 3 271.360 3.139 20 30 CGEDHN C[C@H](c1ccccc1)N(C1=CC(=O)CCC1)[C@@H]1CCN(C)C1 ZINC001255443565 806639754 /nfs/dbraw/zinc/63/97/54/806639754.db2.gz PUQLJEWQZHNIOT-CRAIPNDOSA-N 0 3 298.430 3.391 20 30 CGEDHN C=CCNCc1ccc(Br)cc1SC ZINC000308757744 799217876 /nfs/dbraw/zinc/21/78/76/799217876.db2.gz WXNQOJZGBBJPHH-UHFFFAOYSA-N 0 3 272.211 3.447 20 30 CGEDHN C=CCCSCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000696139484 799837693 /nfs/dbraw/zinc/83/76/93/799837693.db2.gz OVSKRKMSZPLDOJ-LLVKDONJSA-N 0 3 269.385 3.491 20 30 CGEDHN C#C[C@@H](NCc1ccc(OCC)c(OC)c1)C(C)(C)C ZINC000702251435 799906146 /nfs/dbraw/zinc/90/61/46/799906146.db2.gz WOHXNHHHOVTTQD-MRXNPFEDSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@@H](NCc1cc(C)nc(Cl)c1)C(C)(C)C ZINC000702309205 799908727 /nfs/dbraw/zinc/90/87/27/799908727.db2.gz SUAOELBKCFYHJF-GFCCVEGCSA-N 0 3 250.773 3.181 20 30 CGEDHN CCCCCCCNCc1nc(Br)c[nH]1 ZINC000703729063 799928317 /nfs/dbraw/zinc/92/83/17/799928317.db2.gz WVTXGLJVIVNHJV-UHFFFAOYSA-N 0 3 274.206 3.232 20 30 CGEDHN C=CCCC[C@H](C)NCc1cn(C)nc1Br ZINC000712406770 800087258 /nfs/dbraw/zinc/08/72/58/800087258.db2.gz ZFZNZWHWGOAYNZ-JTQLQIEISA-N 0 3 286.217 3.017 20 30 CGEDHN C(#Cc1ccccc1)CNC1CC(OCc2ccccc2)C1 ZINC000716187716 800164623 /nfs/dbraw/zinc/16/46/23/800164623.db2.gz DNFZHNVUJNJHJA-UHFFFAOYSA-N 0 3 291.394 3.376 20 30 CGEDHN C=C(Cl)CN[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724071927 800354093 /nfs/dbraw/zinc/35/40/93/800354093.db2.gz YDMZHEZPBOGKHI-NEPJUHHUSA-N 0 3 288.819 3.022 20 30 CGEDHN N#Cc1ccccc1OCCN[C@H](c1ccccn1)C1CC1 ZINC000932381471 800661141 /nfs/dbraw/zinc/66/11/41/800661141.db2.gz NANDQWTTXZBOKA-SFHVURJKSA-N 0 3 293.370 3.073 20 30 CGEDHN C=CCN1CCC[C@@H](CNC(=O)c2occc2C(C)C)C1 ZINC001023555602 800712222 /nfs/dbraw/zinc/71/22/22/800712222.db2.gz XSMUJGHTSOVMJD-AWEZNQCLSA-N 0 3 290.407 3.031 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024770928 800734685 /nfs/dbraw/zinc/73/46/85/800734685.db2.gz ZSHJVHJSBDMSTL-BRWVUGGUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773799 800737153 /nfs/dbraw/zinc/73/71/53/800737153.db2.gz LDRSZQYRAVTNNN-KRWDZBQOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001028157363 800833953 /nfs/dbraw/zinc/83/39/53/800833953.db2.gz IUUAOTWCOLHIJU-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2ccccc21 ZINC001028298283 800840277 /nfs/dbraw/zinc/84/02/77/800840277.db2.gz RHITYNKJGQVVMU-MRXNPFEDSA-N 0 3 294.398 3.220 20 30 CGEDHN C=C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C)c1ccccc1 ZINC001029593870 800871002 /nfs/dbraw/zinc/87/10/02/800871002.db2.gz HVYJUMSANAPALS-KSZLIROESA-N 0 3 298.430 3.040 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033698487 800974809 /nfs/dbraw/zinc/97/48/09/800974809.db2.gz SKLHQWSLRXYWAF-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033785990 800981999 /nfs/dbraw/zinc/98/19/99/800981999.db2.gz PCDIPKHQUGXPQK-AWEZNQCLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001039325784 801158337 /nfs/dbraw/zinc/15/83/37/801158337.db2.gz FGJOIOCURDPAJI-MSOLQXFVSA-N 0 3 298.430 3.250 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC ZINC001039823062 801167066 /nfs/dbraw/zinc/16/70/66/801167066.db2.gz OBBVRFCFBAFHEJ-IYBDPMFKSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CCCCCC3)C[C@@H]21 ZINC001041974185 801198090 /nfs/dbraw/zinc/19/80/90/801198090.db2.gz ZPCSRQOKNZHLEI-RDJZCZTQSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)cccc3C)C[C@H]21 ZINC001042243176 801204028 /nfs/dbraw/zinc/20/40/28/801204028.db2.gz PVLIEGQXLBYBHN-IAGOWNOFSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C1CCC(C(=O)N[C@]2(C)CCN(CC=C(C)C)C2)CC1 ZINC001046594344 801316115 /nfs/dbraw/zinc/31/61/15/801316115.db2.gz GTTGXVNLGUTHAY-GOSISDBHSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2coc3ccccc23)C1 ZINC001046876950 801332579 /nfs/dbraw/zinc/33/25/79/801332579.db2.gz MAPPDXSOUGQWMX-GOSISDBHSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001049855788 801388559 /nfs/dbraw/zinc/38/85/59/801388559.db2.gz UJCLEAAYONRKON-VQHPVUNQSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001049855785 801389653 /nfs/dbraw/zinc/38/96/53/801389653.db2.gz UJCLEAAYONRKON-QAETUUGQSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2C1 ZINC001054253554 801480558 /nfs/dbraw/zinc/48/05/58/801480558.db2.gz CMULXIDEWRCPBY-KSSFIOAISA-N 0 3 298.430 3.241 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071322136 801528171 /nfs/dbraw/zinc/52/81/71/801528171.db2.gz TZPDZFHCLZAKIH-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373732 801531487 /nfs/dbraw/zinc/53/14/87/801531487.db2.gz NQXJAAZPORAYCF-WBVHZDCISA-N 0 3 290.451 3.422 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2occc2Cl)CC[C@@H]1C ZINC001071796556 801551917 /nfs/dbraw/zinc/55/19/17/801551917.db2.gz UAWKYERIDFEPSK-NWDGAFQWSA-N 0 3 296.798 3.092 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085604901 801695644 /nfs/dbraw/zinc/69/56/44/801695644.db2.gz UUTDAIWZHLRIBX-HRCADAONSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001085836971 801708716 /nfs/dbraw/zinc/70/87/16/801708716.db2.gz YFOOPKWRYBHCSN-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085941888 801712207 /nfs/dbraw/zinc/71/22/07/801712207.db2.gz SIYWYZJPAMTFJJ-KRWDZBQOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1CC ZINC001087808961 801767760 /nfs/dbraw/zinc/76/77/60/801767760.db2.gz SJGBXUMNHIJVGY-DLBZAZTESA-N 0 3 286.419 3.072 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C=C\C2CC2)C1 ZINC001088284143 801780467 /nfs/dbraw/zinc/78/04/67/801780467.db2.gz WCATVMRCARULOU-CDNLZTBQSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccsc2)[C@H]1C ZINC001088851488 801811080 /nfs/dbraw/zinc/81/10/80/801811080.db2.gz IJDNQMBTWNEOSH-NFAWXSAZSA-N 0 3 292.448 3.007 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC001089017466 801816480 /nfs/dbraw/zinc/81/64/80/801816480.db2.gz GAGOEYJJQJGLLX-PBHICJAKSA-N 0 3 286.419 3.018 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001097807597 801904311 /nfs/dbraw/zinc/90/43/11/801904311.db2.gz XAPUVBXTGAFFRJ-FPCVCCKLSA-N 0 3 290.451 3.110 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C=C)cc2)C1 ZINC001099044824 801925726 /nfs/dbraw/zinc/92/57/26/801925726.db2.gz VKZQFWQPKLAKBL-HKUYNNGSSA-N 0 3 296.414 3.100 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C(=C)C ZINC001099171496 801931135 /nfs/dbraw/zinc/93/11/35/801931135.db2.gz QHBGODRHQXWLBX-OAHLLOKOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC(=C)C ZINC001099189303 801932848 /nfs/dbraw/zinc/93/28/48/801932848.db2.gz QBOGCJULPKGKCA-HOTGVXAUSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099251164 801933606 /nfs/dbraw/zinc/93/36/06/801933606.db2.gz GZZPQAOZLXKZGI-LSDHHAIUSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CC2=CCCCC2)C1 ZINC001100184558 801941316 /nfs/dbraw/zinc/94/13/16/801941316.db2.gz NYWQXFJYKPWIJR-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102264668 802005440 /nfs/dbraw/zinc/00/54/40/802005440.db2.gz VBSSSEAOUASBDF-ANIPRKEASA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)(C)C)C2 ZINC001110038942 802129646 /nfs/dbraw/zinc/12/96/46/802129646.db2.gz ZXTJIDIDMQMEDT-FZKCQIBNSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C2 ZINC001111105859 802154276 /nfs/dbraw/zinc/15/42/76/802154276.db2.gz QBNAEALFWSHRHW-JJXSEGSLSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001112723808 802186741 /nfs/dbraw/zinc/18/67/41/802186741.db2.gz CRIKDUZCCWKZRR-BOLDSZDNSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC001113199573 802203783 /nfs/dbraw/zinc/20/37/83/802203783.db2.gz ASVYTOCYKUYFGX-IRXDYDNUSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C[C@H]2C[C@@H]2C)CCCCC1 ZINC001115711055 802273355 /nfs/dbraw/zinc/27/33/55/802273355.db2.gz TZYXJIJTFVULRG-GXTWGEPZSA-N 0 3 298.858 3.194 20 30 CGEDHN C#CC[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC001116387895 802340176 /nfs/dbraw/zinc/34/01/76/802340176.db2.gz QHIACHBMBLYKAP-NQIIRXRSSA-N 0 3 297.423 3.278 20 30 CGEDHN C=CCO[C@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC001116555691 802377126 /nfs/dbraw/zinc/37/71/26/802377126.db2.gz TXRNDQVUGZWPKU-QGZUEGPWSA-N 0 3 261.340 3.116 20 30 CGEDHN CN(C)c1ccc(/C=C/C=NN[C@H]2CCCSC2)cc1 ZINC001119307069 802646621 /nfs/dbraw/zinc/64/66/21/802646621.db2.gz KIIWXJAGWGBVRH-FUVKRRTRSA-N 0 3 289.448 3.237 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CCC(C)(C#N)CC1 ZINC001120007537 802723723 /nfs/dbraw/zinc/72/37/23/802723723.db2.gz CJRORPHXZYRKRR-UHFFFAOYSA-N 0 3 267.376 3.301 20 30 CGEDHN C#C[C@H](CC)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC001120595779 802752149 /nfs/dbraw/zinc/75/21/49/802752149.db2.gz JSISJBYGQLCKJP-ZWNOBZJWSA-N 0 3 272.175 3.028 20 30 CGEDHN CC1(C)CC(=O)C=C(N[C@H]2CCCN(C3CCCC3)C2)C1 ZINC001256903676 807005804 /nfs/dbraw/zinc/00/58/04/807005804.db2.gz CPPXOXMLMVPOMC-AWEZNQCLSA-N 0 3 290.451 3.256 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC001125878797 803077792 /nfs/dbraw/zinc/07/77/92/803077792.db2.gz HQDRJBUARIJBOA-HOCLYGCPSA-N 0 3 286.419 3.108 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC001125878798 803078403 /nfs/dbraw/zinc/07/84/03/803078403.db2.gz HQDRJBUARIJBOA-ZBFHGGJFSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001131899945 803355899 /nfs/dbraw/zinc/35/58/99/803355899.db2.gz RGQWDKMGVXTCJH-NVXWUHKLSA-N 0 3 286.419 3.122 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132369422 803398019 /nfs/dbraw/zinc/39/80/19/803398019.db2.gz XDYWBHUNRXSUKC-CVEARBPZSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001132667391 803424991 /nfs/dbraw/zinc/42/49/91/803424991.db2.gz KPBVPRKQNJDABJ-ZIAGYGMSSA-N 0 3 292.398 3.195 20 30 CGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001133883773 803509100 /nfs/dbraw/zinc/50/91/00/803509100.db2.gz GIWWDDVWLRRGRH-UKOINSAQSA-N 0 3 293.238 3.145 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1cccc(C#N)c1F ZINC001245072497 803632241 /nfs/dbraw/zinc/63/22/41/803632241.db2.gz KQIZXSKQVOWVIS-VQHVLOKHSA-N 0 3 267.307 3.292 20 30 CGEDHN Cc1ccc2[nH]c(CN3CCC4SC(=O)C=C4C3)cc2c1 ZINC001138416358 803923841 /nfs/dbraw/zinc/92/38/41/803923841.db2.gz VQMYTPLQXBWJRA-INIZCTEOSA-N 0 3 298.411 3.250 20 30 CGEDHN C=CCc1cccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1[O-] ZINC001138624347 803982149 /nfs/dbraw/zinc/98/21/49/803982149.db2.gz FBJUBAQUHRDUAT-GJZGRUSLSA-N 0 3 257.377 3.353 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](OC)CC2)c1[O-] ZINC001138628377 803985810 /nfs/dbraw/zinc/98/58/10/803985810.db2.gz UASZHNIZCZOIGI-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](OC)CC2)c1[O-] ZINC001138628377 803985820 /nfs/dbraw/zinc/98/58/20/803985820.db2.gz UASZHNIZCZOIGI-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCCCCN(C)Cc1cnc(SCC)nc1 ZINC001138657319 803994351 /nfs/dbraw/zinc/99/43/51/803994351.db2.gz YJASKULHNQSCNW-UHFFFAOYSA-N 0 3 265.426 3.377 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCOC[C@H](C)C1 ZINC001138663165 803996411 /nfs/dbraw/zinc/99/64/11/803996411.db2.gz PAOZMFMLTLPGOD-OAHLLOKOSA-N 0 3 275.392 3.110 20 30 CGEDHN C=CCOc1ccccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001139030891 804115034 /nfs/dbraw/zinc/11/50/34/804115034.db2.gz XFXVEAHYWYGRGH-KKUMJFAQSA-N 0 3 261.340 3.184 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc3cccnc3c2)CC1 ZINC001139168846 804148543 /nfs/dbraw/zinc/14/85/43/804148543.db2.gz ZZMMICNFARFKBR-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@H](C(F)(F)F)C3)c[nH]c21 ZINC001139702850 804257569 /nfs/dbraw/zinc/25/75/69/804257569.db2.gz BJIHBMPSVUSKQQ-LBPRGKRZSA-N 0 3 293.292 3.424 20 30 CGEDHN N#Cc1cccc2c(CN3CC4CCC3CC4)c[nH]c21 ZINC001139703064 804261563 /nfs/dbraw/zinc/26/15/63/804261563.db2.gz ICDFMFFKEGFTRT-UHFFFAOYSA-N 0 3 265.360 3.414 20 30 CGEDHN Cc1ccc(CN2CCC[C@H](C(F)F)C2)cc1C#N ZINC001139726263 804267655 /nfs/dbraw/zinc/26/76/55/804267655.db2.gz CXBYTGWGZWSMLX-ZDUSSCGKSA-N 0 3 264.319 3.344 20 30 CGEDHN C=CCn1cc(CN(C)CCc2cccc(C)c2)cn1 ZINC001139772749 804280172 /nfs/dbraw/zinc/28/01/72/804280172.db2.gz QFIOJUGQCGDFHY-UHFFFAOYSA-N 0 3 269.392 3.052 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2Cl)CCC[C@]1(C)O ZINC001140808183 804524093 /nfs/dbraw/zinc/52/40/93/804524093.db2.gz LOFRSLXGSZZMMO-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN C#CC1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926382 804551088 /nfs/dbraw/zinc/55/10/88/804551088.db2.gz LOGQXKVSFLGRBX-UHFFFAOYSA-N 0 3 276.811 3.251 20 30 CGEDHN C=CCN(CC=C)Cc1ccnc2ccc(OC)cc12 ZINC001141150522 804598091 /nfs/dbraw/zinc/59/80/91/804598091.db2.gz CUOOAQRATXXFEC-UHFFFAOYSA-N 0 3 268.360 3.417 20 30 CGEDHN N#Cc1ccc2c(CN3CC4CCC3CC4)c[nH]c2c1 ZINC001142922426 804784645 /nfs/dbraw/zinc/78/46/45/804784645.db2.gz HLNWOMCJWLMIKQ-UHFFFAOYSA-N 0 3 265.360 3.414 20 30 CGEDHN CCc1cc(C#N)ccc1CN(CCO)Cc1ccccc1 ZINC001248742679 804981462 /nfs/dbraw/zinc/98/14/62/804981462.db2.gz GSGDHUOTYPHFCO-UHFFFAOYSA-N 0 3 294.398 3.115 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817611 805004751 /nfs/dbraw/zinc/00/47/51/805004751.db2.gz CWAXELHSEWZHOI-GFCCVEGCSA-N 0 3 271.339 3.433 20 30 CGEDHN C#Cc1ccc(C[N@@H+](CC)Cc2ccccc2[O-])cc1 ZINC001144578993 805008985 /nfs/dbraw/zinc/00/89/85/805008985.db2.gz VCZVHOXRNMWOHR-UHFFFAOYSA-N 0 3 265.356 3.396 20 30 CGEDHN C#Cc1ccc(C[N@H+](CC)Cc2ccccc2[O-])cc1 ZINC001144578993 805008997 /nfs/dbraw/zinc/00/89/97/805008997.db2.gz VCZVHOXRNMWOHR-UHFFFAOYSA-N 0 3 265.356 3.396 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC4(CC4)CC3)[nH]c2c1 ZINC001249426847 805146270 /nfs/dbraw/zinc/14/62/70/805146270.db2.gz IUGMIKRFSVJNHZ-UHFFFAOYSA-N 0 3 265.360 3.416 20 30 CGEDHN Cc1ccc(NC2=CC[C@H](N3CCOCC3)CC2)c(C#N)c1 ZINC001249557035 805175776 /nfs/dbraw/zinc/17/57/76/805175776.db2.gz UAKFLMFCXAXLFV-KRWDZBQOSA-N 0 3 297.402 3.047 20 30 CGEDHN C=CC[N@H+](C)Cc1cc(C)c(Br)cc1[O-] ZINC001250129140 805432763 /nfs/dbraw/zinc/43/27/63/805432763.db2.gz YUCUAQIYYXRZSN-UHFFFAOYSA-N 0 3 270.170 3.081 20 30 CGEDHN C=CC[N@@H+](C)Cc1cc(C)c(Br)cc1[O-] ZINC001250129140 805432760 /nfs/dbraw/zinc/43/27/60/805432760.db2.gz YUCUAQIYYXRZSN-UHFFFAOYSA-N 0 3 270.170 3.081 20 30 CGEDHN CCCCOC(=O)CC[C@@H](C)N1CCC(C)(C#N)CC1 ZINC001257400634 807138238 /nfs/dbraw/zinc/13/82/38/807138238.db2.gz SJUWRQBCBBJLDG-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN N#Cc1ccnc(CN2CCCC3(CCCCC3)C2)c1 ZINC001167340795 807184597 /nfs/dbraw/zinc/18/45/97/807184597.db2.gz CJFYRAPFPZUTES-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC001258045267 807273701 /nfs/dbraw/zinc/27/37/01/807273701.db2.gz YQDHCWLKLKLBNH-IAGOWNOFSA-N 0 3 282.472 3.142 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(c2cccnn2)CC1 ZINC001258049431 807275802 /nfs/dbraw/zinc/27/58/02/807275802.db2.gz HSSQJPKMHDLRJX-MRXNPFEDSA-N 0 3 290.455 3.348 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001168166556 807329931 /nfs/dbraw/zinc/32/99/31/807329931.db2.gz LRDSHKSYNYVDMN-OLZOCXBDSA-N 0 3 288.863 3.153 20 30 CGEDHN N#C[C@@H]1CCCN([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734687 807498819 /nfs/dbraw/zinc/49/88/19/807498819.db2.gz KGHPOQFOAJKDRJ-OCCSQVGLSA-N 0 3 274.795 3.433 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001258729466 807576780 /nfs/dbraw/zinc/57/67/80/807576780.db2.gz VIYYXBBMSYPEEQ-KBPBESRZSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCC[C@H](C)N1CCc2ncc(Cl)cc2C1 ZINC001258733513 807578674 /nfs/dbraw/zinc/57/86/74/807578674.db2.gz HLUCZYZPPFUDGH-NSHDSACASA-N 0 3 250.773 3.448 20 30 CGEDHN C=CC[C@@H](Nc1ccc2cnc(C)cc2c1)C(=O)OC ZINC001169844456 807715148 /nfs/dbraw/zinc/71/51/48/807715148.db2.gz KOUFKKXGQTYDME-OAHLLOKOSA-N 0 3 270.332 3.073 20 30 CGEDHN C=CCN(CCOC)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001169901503 807722156 /nfs/dbraw/zinc/72/21/56/807722156.db2.gz UZEBTOQXKHIYFV-UHFFFAOYSA-N 0 3 297.439 3.023 20 30 CGEDHN C=CCCCNc1nc(N2CCOCC2)cc2ccccc21 ZINC001170298614 807820359 /nfs/dbraw/zinc/82/03/59/807820359.db2.gz HCRCGFYXGUCANX-UHFFFAOYSA-N 0 3 297.402 3.450 20 30 CGEDHN CO[C@]1(C)C[C@@H](NCC#Cc2cccc(Cl)c2)C1(C)C ZINC001170388114 807834663 /nfs/dbraw/zinc/83/46/63/807834663.db2.gz YQOKAGZHFATKCH-NVXWUHKLSA-N 0 3 291.822 3.485 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cc(F)cc(F)c3C2)CCCC1 ZINC001170654777 807869633 /nfs/dbraw/zinc/86/96/33/807869633.db2.gz KIAUNCIFPMXCDL-AWEZNQCLSA-N 0 3 290.357 3.496 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NC1CCSCC1 ZINC001263080744 807931972 /nfs/dbraw/zinc/93/19/72/807931972.db2.gz HIKMAIQKTKOLDA-AWEZNQCLSA-N 0 3 286.485 3.076 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NCc1nc(C)cs1 ZINC001263093789 807933546 /nfs/dbraw/zinc/93/35/46/807933546.db2.gz LLLLPNPSDUREKD-ZDUSSCGKSA-N 0 3 297.468 3.146 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)Nc1ccnc(CN)c1 ZINC001171374330 808037244 /nfs/dbraw/zinc/03/72/44/808037244.db2.gz PVWAISJMFQSVPF-ZDUSSCGKSA-N 0 3 283.375 3.278 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC/C=C/c2ccccc2)[C@H]1C ZINC001264160172 808041282 /nfs/dbraw/zinc/04/12/82/808041282.db2.gz GWGDLYFYKXZSCC-DDIQYJBLSA-N 0 3 298.430 3.245 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)/C(C)=C\C ZINC001264508705 808076870 /nfs/dbraw/zinc/07/68/70/808076870.db2.gz KUFMCOYNLHCCAA-GEWSYHLHSA-N 0 3 298.858 3.312 20 30 CGEDHN CCCN(CCC#N)[C@H]1CCc2c(C)cccc2C1 ZINC001171569978 808099079 /nfs/dbraw/zinc/09/90/79/808099079.db2.gz DOZXMGOQOMMCAO-INIZCTEOSA-N 0 3 256.393 3.478 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCCCC(C)C)C1 ZINC001265306382 808128187 /nfs/dbraw/zinc/12/81/87/808128187.db2.gz OKDNIEYHSVSOTA-MRXNPFEDSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001266367555 808250258 /nfs/dbraw/zinc/25/02/58/808250258.db2.gz CWBSASXNJFWLKN-UHFFFAOYSA-N 0 3 296.361 3.036 20 30 CGEDHN COc1ccc(F)c(CN[C@H](C)CCCC#N)c1F ZINC001172483327 808345293 /nfs/dbraw/zinc/34/52/93/808345293.db2.gz PKSWEJZNJZFGSB-SNVBAGLBSA-N 0 3 268.307 3.145 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CC1=CCCCC1 ZINC001267123862 808362622 /nfs/dbraw/zinc/36/26/22/808362622.db2.gz XUBXRQQNISOSHA-CYBMUJFWSA-N 0 3 284.831 3.114 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(CC)CC ZINC001267714113 808473904 /nfs/dbraw/zinc/47/39/04/808473904.db2.gz WRUIRWDFHRSFQX-HOTGVXAUSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(C)CCCC1)C(C)C ZINC001268220056 808559376 /nfs/dbraw/zinc/55/93/76/808559376.db2.gz NDBDPWQSDNXZFH-CYBMUJFWSA-N 0 3 286.847 3.050 20 30 CGEDHN CCCCCCCC[C@@H](CCC)NC1CS(=O)(=O)C1 ZINC001173308724 808604774 /nfs/dbraw/zinc/60/47/74/808604774.db2.gz OQBRGZNWEGRZQW-CQSZACIVSA-N 0 3 289.485 3.292 20 30 CGEDHN N#CCC1CCC(N[C@H](CO)c2cc(F)ccc2F)CC1 ZINC001173333077 808617382 /nfs/dbraw/zinc/61/73/82/808617382.db2.gz XIFYCIZERWTJCR-IJGSQOGDSA-N 0 3 294.345 3.060 20 30 CGEDHN Cc1cnc2c(c1)CN(C1CCC(CC#N)CC1)CC2 ZINC001173341163 808619631 /nfs/dbraw/zinc/61/96/31/808619631.db2.gz QJUOFGFNHNGPKH-UHFFFAOYSA-N 0 3 269.392 3.221 20 30 CGEDHN CC(C)(C)OC(=O)[C@@H]1CCCN1C1CCC(CC#N)CC1 ZINC001173339004 808620488 /nfs/dbraw/zinc/62/04/88/808620488.db2.gz KARKIUBYOJAEDI-NRXISQOPSA-N 0 3 292.423 3.265 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)C1(CCC)CCC1 ZINC001268811095 808630390 /nfs/dbraw/zinc/63/03/90/808630390.db2.gz KVFXUAZMFXVWHR-UHFFFAOYSA-N 0 3 286.847 3.147 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001268978447 808640507 /nfs/dbraw/zinc/64/05/07/808640507.db2.gz AOTJRVFBXIFALD-QAETUUGQSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001269215762 808656441 /nfs/dbraw/zinc/65/64/41/808656441.db2.gz QZWJEWMBZIYBEX-UKRRQHHQSA-N 0 3 290.407 3.055 20 30 CGEDHN CN(C)Cc1ccccc1Nc1ccsc1C#N ZINC001173929837 808768208 /nfs/dbraw/zinc/76/82/08/808768208.db2.gz JPHKGVLSSYSGGG-UHFFFAOYSA-N 0 3 257.362 3.425 20 30 CGEDHN CN(C)Cc1ccccc1Nc1c(C#N)cccc1C#N ZINC001173930190 808769988 /nfs/dbraw/zinc/76/99/88/808769988.db2.gz VKOOUQICKHMRFA-UHFFFAOYSA-N 0 3 276.343 3.235 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(CC)CCCCC1 ZINC001272178080 808800812 /nfs/dbraw/zinc/80/08/12/808800812.db2.gz ATNBSLGRYBFFDB-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)CC=C)cc1 ZINC001272700719 808822178 /nfs/dbraw/zinc/82/21/78/808822178.db2.gz MHMPRNDTASFUOY-HNNXBMFYSA-N 0 3 298.430 3.189 20 30 CGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNC[C@@H](F)CC ZINC001272994268 808830151 /nfs/dbraw/zinc/83/01/51/808830151.db2.gz XHFCXXABYYWWGR-LSDHHAIUSA-N 0 3 284.419 3.062 20 30 CGEDHN C=CCCCCN1CC2(CCN2CCCC(F)(F)F)C1 ZINC001274974999 808896901 /nfs/dbraw/zinc/89/69/01/808896901.db2.gz TVTBTGSHLVTKCZ-UHFFFAOYSA-N 0 3 290.373 3.445 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001276886463 809042153 /nfs/dbraw/zinc/04/21/53/809042153.db2.gz KJIGMBHICZXCMK-MRXNPFEDSA-N 0 3 292.467 3.169 20 30 CGEDHN Cc1cnccc1Nc1cccc(C(F)(F)F)c1C#N ZINC001174539508 809072992 /nfs/dbraw/zinc/07/29/92/809072992.db2.gz JCILMZWVZODWSQ-UHFFFAOYSA-N 0 3 277.249 3.446 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001278437198 809134403 /nfs/dbraw/zinc/13/44/03/809134403.db2.gz AANXWKOMEOSFCN-NVXWUHKLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001281572661 809215579 /nfs/dbraw/zinc/21/55/79/809215579.db2.gz ULSWNXUPLCMZOB-HZPDHXFCSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)CCN(C(=O)C1(F)CCCCC1)C(C)C ZINC001284553541 809309633 /nfs/dbraw/zinc/30/96/33/809309633.db2.gz OTVOHMWALXTJJV-UHFFFAOYSA-N 0 3 284.419 3.014 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCC1=CCN(CC=C(C)C)CC1 ZINC001284950079 809321444 /nfs/dbraw/zinc/32/14/44/809321444.db2.gz ZUBJPKVARNITRN-INIZCTEOSA-N 0 3 290.451 3.303 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1sccc1C1CC1 ZINC001175339773 809364970 /nfs/dbraw/zinc/36/49/70/809364970.db2.gz SNZQAQLIKBIOQU-UHFFFAOYSA-N 0 3 298.839 3.088 20 30 CGEDHN N#Cc1cc(F)ccc1N1CCN(CCC2CCC2)CC1 ZINC001175453954 809411730 /nfs/dbraw/zinc/41/17/30/809411730.db2.gz PFGWDEOEJJFCOG-UHFFFAOYSA-N 0 3 287.382 3.010 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)CCO2 ZINC001176629676 809734491 /nfs/dbraw/zinc/73/44/91/809734491.db2.gz QONZDIAEPDLTEB-CQSZACIVSA-N 0 3 295.357 3.463 20 30 CGEDHN C=CCN(Cc1c2c(nn1C)CCC2)CC1CCCCC1 ZINC001180293161 809990151 /nfs/dbraw/zinc/99/01/51/809990151.db2.gz WELWXOSYHMGTRR-UHFFFAOYSA-N 0 3 287.451 3.477 20 30 CGEDHN C=CCN(C(=O)CN(C)C1CCCC1)C1CCCCC1 ZINC001180628982 810015653 /nfs/dbraw/zinc/01/56/53/810015653.db2.gz JFGBHGNFKQMEKJ-UHFFFAOYSA-N 0 3 278.440 3.208 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H](CC#C)C1 ZINC001183065197 810136343 /nfs/dbraw/zinc/13/63/43/810136343.db2.gz IBRUSVOYHBGEPT-CQSZACIVSA-N 0 3 287.790 3.197 20 30 CGEDHN C#CC1(NCc2c(C)nc3scc(C)n23)CCCC1 ZINC001183499668 810150262 /nfs/dbraw/zinc/15/02/62/810150262.db2.gz MSQSAYJORSBVRV-UHFFFAOYSA-N 0 3 273.405 3.048 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001186918996 810373500 /nfs/dbraw/zinc/37/35/00/810373500.db2.gz LKWBAINXIDRYHK-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190369673 810623171 /nfs/dbraw/zinc/62/31/71/810623171.db2.gz FKHSZDNODUJVSY-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192680693 810814704 /nfs/dbraw/zinc/81/47/04/810814704.db2.gz VZLDSNQDQMDXLV-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cccc(F)c1Cl ZINC001193920587 810979847 /nfs/dbraw/zinc/97/98/47/810979847.db2.gz PGIZJSVOIKDXMD-UHFFFAOYSA-N 0 3 284.806 3.419 20 30 CGEDHN C[Si](C)(CN1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC001195704923 811280957 /nfs/dbraw/zinc/28/09/57/811280957.db2.gz ROYJHNZUQUCTOT-UHFFFAOYSA-N 0 3 292.458 3.029 20 30 CGEDHN C=CCN(Cc1ccc(F)c2cccnc12)[C@H](C)COC ZINC001196047744 811313958 /nfs/dbraw/zinc/31/39/58/811313958.db2.gz CSKQWDUOMYWIBR-CYBMUJFWSA-N 0 3 288.366 3.397 20 30 CGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001196854819 811375056 /nfs/dbraw/zinc/37/50/56/811375056.db2.gz UKNCMLWUGCSBKI-UAEOLWBESA-N 0 3 292.467 3.335 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCCN(CCCCCF)CC1 ZINC001196889933 811380535 /nfs/dbraw/zinc/38/05/35/811380535.db2.gz LXJOSTLRAZCVHL-MRXNPFEDSA-N 0 3 298.446 3.263 20 30 CGEDHN C=CC[C@@H]1CCN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001198489578 811508723 /nfs/dbraw/zinc/50/87/23/811508723.db2.gz CDIZPEPBVAGGBU-CABCVRRESA-N 0 3 290.794 3.483 20 30 CGEDHN C=CCC[C@H](NCc1cnc(N(C)C)nc1)c1ccccc1 ZINC001201556827 811903492 /nfs/dbraw/zinc/90/34/92/811903492.db2.gz ASLFSJYRSZUJBO-KRWDZBQOSA-N 0 3 296.418 3.340 20 30 CGEDHN CCCCCCCCN1C[C@@H]2CN(CC3CC3)C[C@H](C1)O2 ZINC001201825888 811967765 /nfs/dbraw/zinc/96/77/65/811967765.db2.gz HJYXPCNTLXLTNC-HDICACEKSA-N 0 3 294.483 3.142 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc(Cl)c1 ZINC001202254950 812052006 /nfs/dbraw/zinc/05/20/06/812052006.db2.gz VASORQYQMHDXIU-AWEZNQCLSA-N 0 3 293.798 3.112 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(OC)cc2C)c1 ZINC001202810754 812178743 /nfs/dbraw/zinc/17/87/43/812178743.db2.gz BBGMUEQNAPSDEA-UHFFFAOYSA-N 0 3 265.356 3.275 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cc(F)ccc1F)C2 ZINC001203446433 812358610 /nfs/dbraw/zinc/35/86/10/812358610.db2.gz GZXWWQPKJPTFKC-MRXNPFEDSA-N 0 3 284.309 3.093 20 30 CGEDHN CNc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC001203666059 812422149 /nfs/dbraw/zinc/42/21/49/812422149.db2.gz XNGBOBLXAOYDSI-CYBMUJFWSA-N 0 3 265.360 3.451 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC001203760307 812456719 /nfs/dbraw/zinc/45/67/19/812456719.db2.gz GYFGZAKQBDXWPR-SFHVURJKSA-N 0 3 296.345 3.351 20 30 CGEDHN C#CCN(Cc1cc2c(cccc2C)[nH]1)CC1CC1 ZINC001204640463 812698736 /nfs/dbraw/zinc/69/87/36/812698736.db2.gz LHYUDGMKCGPMEZ-UHFFFAOYSA-N 0 3 252.361 3.322 20 30 CGEDHN C#CC1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC001206411600 813317599 /nfs/dbraw/zinc/31/75/99/813317599.db2.gz YBTWZJRIPSIPQG-UHFFFAOYSA-N 0 3 265.759 3.367 20 30 CGEDHN CC(C)(O)CCCC1=CC[C@@H](CN2CC[C@H](C#N)C2)CC1 ZINC001207413868 813558826 /nfs/dbraw/zinc/55/88/26/813558826.db2.gz STQKMFXGKGDTEM-IAGOWNOFSA-N 0 3 290.451 3.500 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@H](F)[C@@H](O)C1 ZINC001208120963 813698376 /nfs/dbraw/zinc/69/83/76/813698376.db2.gz XDZYDGQEKYMUAF-JJGIJDNGSA-N 0 3 257.393 3.308 20 30 CGEDHN CC(C)CCCN1CCN(c2ccccc2C#N)CC1 ZINC001208734119 813822690 /nfs/dbraw/zinc/82/26/90/813822690.db2.gz PGARFXXTISDTCB-UHFFFAOYSA-N 0 3 271.408 3.116 20 30 CGEDHN N#Cc1ccc(CCCN2CCc3c(O)cccc3C2)cc1 ZINC001208860964 813870787 /nfs/dbraw/zinc/87/07/87/813870787.db2.gz ZVZROYKJUAZDTL-UHFFFAOYSA-N 0 3 292.382 3.255 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001209115592 813938585 /nfs/dbraw/zinc/93/85/85/813938585.db2.gz GRZLWQGLPKYABK-ZMSDIMECSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001209125597 813941997 /nfs/dbraw/zinc/94/19/97/813941997.db2.gz OLIIHNLUUNQJLW-DJIMGWMZSA-N 0 3 292.467 3.215 20 30 CGEDHN C#CCCCN1CCN(c2nc3ccccc3cc2C)CC1 ZINC001209268938 813990131 /nfs/dbraw/zinc/99/01/31/813990131.db2.gz BLTOMYKHASMTSP-UHFFFAOYSA-N 0 3 293.414 3.079 20 30 CGEDHN C=CCCCCCCN1CC2(C1)CN(c1ccccc1)C2=O ZINC001209436914 814036417 /nfs/dbraw/zinc/03/64/17/814036417.db2.gz ZQDGDECULAMREM-UHFFFAOYSA-N 0 3 298.430 3.472 20 30 CGEDHN C=CCN(Cc1cnc(OC)c(OC)c1)C1CCCCC1 ZINC001209619375 814099956 /nfs/dbraw/zinc/09/99/56/814099956.db2.gz UAGQRZBDBSLEGS-UHFFFAOYSA-N 0 3 290.407 3.420 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCCC(C)C)C1 ZINC001209618589 814100848 /nfs/dbraw/zinc/10/08/48/814100848.db2.gz SMRNOYDXFHGVRZ-HZPDHXFCSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCCN(C)Cc1ccnc(OC)c1 ZINC001209638983 814103399 /nfs/dbraw/zinc/10/33/99/814103399.db2.gz JDDKIPGDBRFFNT-UHFFFAOYSA-N 0 3 250.386 3.492 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001210226243 814354728 /nfs/dbraw/zinc/35/47/28/814354728.db2.gz NQMCBYIHOYRWHC-OWCLPIDISA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001210308350 814396040 /nfs/dbraw/zinc/39/60/40/814396040.db2.gz YLXKKUIUQFMNKT-ARFHVFGLSA-N 0 3 294.483 3.461 20 30 CGEDHN C[NH2+]Cc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001242994290 823202586 /nfs/dbraw/zinc/20/25/86/823202586.db2.gz VELQOQRIERRIFQ-VCHYOVAHSA-N 0 3 258.296 3.020 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C(/C)C1CC1 ZINC001225111812 816945379 /nfs/dbraw/zinc/94/53/79/816945379.db2.gz FOAMVLXFVODNFE-RQFGCTGCSA-N 0 3 296.842 3.112 20 30 CGEDHN N#Cc1ccc(F)c(O[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001227055759 817545935 /nfs/dbraw/zinc/54/59/35/817545935.db2.gz LBFQGPWRNBVFRJ-MRXNPFEDSA-N 0 3 296.345 3.351 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228111810 817815177 /nfs/dbraw/zinc/81/51/77/817815177.db2.gz FQIFMXXVRMUVIO-NWANDNLSSA-N 0 3 298.858 3.358 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001231116065 818034486 /nfs/dbraw/zinc/03/44/86/818034486.db2.gz YOCVXGWQGNNEMP-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCC=C ZINC001231170127 818050083 /nfs/dbraw/zinc/05/00/83/818050083.db2.gz NCANYZGLVUYNFX-MRXNPFEDSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCCCCC ZINC001231179320 818053514 /nfs/dbraw/zinc/05/35/14/818053514.db2.gz RNTYKNILABKSNC-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN C#Cc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC001231660379 818151957 /nfs/dbraw/zinc/15/19/57/818151957.db2.gz FOTHJGVAUWJZIN-UHFFFAOYSA-N 0 3 251.329 3.006 20 30 CGEDHN C#Cc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC001231660379 818151961 /nfs/dbraw/zinc/15/19/61/818151961.db2.gz FOTHJGVAUWJZIN-UHFFFAOYSA-N 0 3 251.329 3.006 20 30 CGEDHN C#CC1CCN(Cc2cnc(-c3ccccc3)nc2C)CC1 ZINC001231799914 818178442 /nfs/dbraw/zinc/17/84/42/818178442.db2.gz FVSYBIMOMYAVLM-UHFFFAOYSA-N 0 3 291.398 3.297 20 30 CGEDHN C=CCN(Cc1cn(C)nc1C(F)(F)F)C(C)(C)C ZINC001232092235 818252456 /nfs/dbraw/zinc/25/24/56/818252456.db2.gz MDOBEGCADVAQQO-UHFFFAOYSA-N 0 3 275.318 3.225 20 30 CGEDHN CN(Cc1ccc(C#N)c(Cl)c1)C[C@@H]1CCCCO1 ZINC001232114982 818259083 /nfs/dbraw/zinc/25/90/83/818259083.db2.gz BOTFCXDDHGYQMJ-AWEZNQCLSA-N 0 3 278.783 3.213 20 30 CGEDHN C#CC1CCN(Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001232597192 818393158 /nfs/dbraw/zinc/39/31/58/818393158.db2.gz ZGTWCIJODIBJMG-UHFFFAOYSA-N 0 3 299.805 3.371 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cnc(OC)c3ccccc23)C1 ZINC001232951328 818480935 /nfs/dbraw/zinc/48/09/35/818480935.db2.gz GEGHMGBJDGOVED-CQSZACIVSA-N 0 3 280.371 3.089 20 30 CGEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2c1CCO2 ZINC001233277825 818564265 /nfs/dbraw/zinc/56/42/65/818564265.db2.gz SNUIZRRJVYAOHT-UHFFFAOYSA-N 0 3 278.355 3.125 20 30 CGEDHN N#Cc1cc(O[C@@H]2CN3CCC2CC3)cc(C(F)(F)F)c1 ZINC001233659464 818672363 /nfs/dbraw/zinc/67/23/63/818672363.db2.gz VUPCDHQIXIPQBZ-CQSZACIVSA-N 0 3 296.292 3.050 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)sc1C ZINC001233666734 818674708 /nfs/dbraw/zinc/67/47/08/818674708.db2.gz XZCGUJAJMNCHKD-ZDUSSCGKSA-N 0 3 279.430 3.139 20 30 CGEDHN C#C[C@@H](CC(C)C)Oc1cccc2c1CCN(C)C2 ZINC001234424446 818852137 /nfs/dbraw/zinc/85/21/37/818852137.db2.gz PXPKHBBFHRSLRF-HNNXBMFYSA-N 0 3 257.377 3.101 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234437907 818855157 /nfs/dbraw/zinc/85/51/57/818855157.db2.gz YNLBAKIOPMSFOJ-MRXNPFEDSA-N 0 3 291.439 3.131 20 30 CGEDHN N#Cc1cc(-c2cc(N3CCCC3)ccn2)ccc1F ZINC001235889854 819198013 /nfs/dbraw/zinc/19/80/13/819198013.db2.gz JSRTXMAQNNQJCW-UHFFFAOYSA-N 0 3 267.307 3.360 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCc3c(N)cccc3C2)c1[O-] ZINC001236361782 819434496 /nfs/dbraw/zinc/43/44/96/819434496.db2.gz BKBMUWLRZHAKRN-UHFFFAOYSA-N 0 3 294.398 3.261 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCc3c(N)cccc3C2)c1[O-] ZINC001236361782 819434500 /nfs/dbraw/zinc/43/45/00/819434500.db2.gz BKBMUWLRZHAKRN-UHFFFAOYSA-N 0 3 294.398 3.261 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001236900507 819635393 /nfs/dbraw/zinc/63/53/93/819635393.db2.gz FKJWPWWUMBBCLU-CQSZACIVSA-N 0 3 299.805 3.371 20 30 CGEDHN CCCCCCCCN1CCNC[C@H]1C(F)(F)F ZINC001236977247 819639854 /nfs/dbraw/zinc/63/98/54/819639854.db2.gz VOAPGZQNOWSSAM-LBPRGKRZSA-N 0 3 266.351 3.183 20 30 CGEDHN CCCCCCCN(C)Cc1ccc(C(=O)OC)nc1 ZINC001237444956 819750866 /nfs/dbraw/zinc/75/08/66/819750866.db2.gz LAFWVXPQFYWHBU-UHFFFAOYSA-N 0 3 278.396 3.270 20 30 CGEDHN C[C@@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)C[C@H]1C ZINC001237608307 819785396 /nfs/dbraw/zinc/78/53/96/819785396.db2.gz FVHSFOZCRNBYNB-ZIAGYGMSSA-N 0 3 282.391 3.074 20 30 CGEDHN CSCCN(C)Cc1cc(Cl)cc(C#N)c1 ZINC001237755875 819838601 /nfs/dbraw/zinc/83/86/01/819838601.db2.gz UKLDLJYANPCWAI-UHFFFAOYSA-N 0 3 254.786 3.006 20 30 CGEDHN COC(=O)c1cc(-c2nccc3[nH]cc(C#N)c32)ccc1C ZINC001243602537 823463400 /nfs/dbraw/zinc/46/34/00/823463400.db2.gz IGFHFGKNTKLKNJ-UHFFFAOYSA-N 0 3 291.310 3.197 20 30 CGEDHN CCCCCCCCOC(=O)NC[C@@H]1CCNC[C@H]1F ZINC001239320704 820268002 /nfs/dbraw/zinc/26/80/02/820268002.db2.gz WNZOLLYWAGZXGE-UONOGXRCSA-N 0 3 288.407 3.021 20 30 CGEDHN CCCCCCCCCOC(=O)N1CC[C@@H](F)[C@@H](N)C1 ZINC001239334126 820278093 /nfs/dbraw/zinc/27/80/93/820278093.db2.gz BPAHINRDOUJDRN-KGLIPLIRSA-N 0 3 288.407 3.245 20 30 CGEDHN CN1CCN(c2cccc(-c3ccccc3CC#N)c2)CC1 ZINC001243670295 823481080 /nfs/dbraw/zinc/48/10/80/823481080.db2.gz JRQWQQYIWRWLKT-UHFFFAOYSA-N 0 3 291.398 3.171 20 30 CGEDHN N#Cc1cc(-c2ccc(CN3CCCC3)c(F)c2)ccn1 ZINC001241200318 821634320 /nfs/dbraw/zinc/63/43/20/821634320.db2.gz VJKBREBXXSQDGV-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN CS[C@@H]1CC[C@H](N(C)Cc2csc(C#N)c2)C1 ZINC001335421066 936144841 /nfs/dbraw/zinc/14/48/41/936144841.db2.gz KVCAFQZDAKTKTE-NWDGAFQWSA-N 0 3 266.435 3.336 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC001340748016 936413112 /nfs/dbraw/zinc/41/31/12/936413112.db2.gz OCSSEMQHMUSLOI-HNNXBMFYSA-N 0 3 299.374 3.272 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cscc1Cl ZINC001340825861 936415704 /nfs/dbraw/zinc/41/57/04/936415704.db2.gz NYQLUFPDMPGBFQ-VIFPVBQESA-N 0 3 258.774 3.024 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC001341266050 936432211 /nfs/dbraw/zinc/43/22/11/936432211.db2.gz SDXYOTOUOTXUAO-HNNXBMFYSA-N 0 3 290.382 3.005 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC001341336712 936434376 /nfs/dbraw/zinc/43/43/76/936434376.db2.gz IWXXYPYILXLMJT-IRXDYDNUSA-N 0 3 286.419 3.076 20 30 CGEDHN C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccccc1[O-] ZINC001342181297 936461768 /nfs/dbraw/zinc/46/17/68/936461768.db2.gz RKQFXPTUCLKZKT-ZDUSSCGKSA-N 0 3 282.343 3.145 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)c1cc2c(s1)CCCCC2 ZINC001342274810 936463914 /nfs/dbraw/zinc/46/39/14/936463914.db2.gz AOFASAIULUMKAU-GFCCVEGCSA-N 0 3 299.399 3.241 20 30 CGEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1cccc(F)n1 ZINC001342559113 936469954 /nfs/dbraw/zinc/46/99/54/936469954.db2.gz SJZOTSXBNOZIIO-SBDDDAINSA-N 0 3 284.265 3.249 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001344865119 936546956 /nfs/dbraw/zinc/54/69/56/936546956.db2.gz ZSWTVECGHMMXBO-WRWGMCAJSA-N 0 3 291.782 3.076 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1CC=CC1 ZINC001479824844 936797432 /nfs/dbraw/zinc/79/74/32/936797432.db2.gz ZFKVXAGZTAFACE-HIFRSBDPSA-N 0 3 296.842 3.064 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C12CCC(CC1)CC2 ZINC001345646465 936819808 /nfs/dbraw/zinc/81/98/08/936819808.db2.gz KLPFUIBGJKUJGT-UYJPIKCFSA-N 0 3 271.364 3.050 20 30 CGEDHN CCC[C@@H](CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346000057 936833758 /nfs/dbraw/zinc/83/37/58/936833758.db2.gz NQSFGKVKLIIRKK-KOLCDFICSA-N 0 3 266.291 3.362 20 30 CGEDHN C[C@]1(C(=O)C(C#N)c2ncc(F)cc2F)CC=CCC1 ZINC001344983856 926682193 /nfs/dbraw/zinc/68/21/93/926682193.db2.gz NIOCPUWYFQDIOQ-NHYWBVRUSA-N 0 3 276.286 3.282 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)C[C@@H](C)c1ccccc1C ZINC001480920156 926792852 /nfs/dbraw/zinc/79/28/52/926792852.db2.gz ICWZTTAMEYDOCZ-MRXNPFEDSA-N 0 3 288.435 3.113 20 30 CGEDHN C=CCN(CCNC(=O)[C@@H](C)CC1CCCCC1)C1CC1 ZINC001481186898 926903791 /nfs/dbraw/zinc/90/37/91/926903791.db2.gz BOZSROPOQXAVJA-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCC(C)C)C1 ZINC001481388036 926971749 /nfs/dbraw/zinc/97/17/49/926971749.db2.gz AGHAVRREZCWWEK-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC001357367941 937171408 /nfs/dbraw/zinc/17/14/08/937171408.db2.gz NQUWAZAJIQPYNW-CYBMUJFWSA-N 0 3 295.814 3.028 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001483692927 927578865 /nfs/dbraw/zinc/57/88/65/927578865.db2.gz BOWGURDSGCRVGR-DLBZAZTESA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C1(C)CC1 ZINC001484553443 927720329 /nfs/dbraw/zinc/72/03/29/927720329.db2.gz FCVVYCHQHDAIKI-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN C#Cc1ccc(CN2CCC(Oc3ccncc3)CC2)cc1 ZINC001144568374 928198284 /nfs/dbraw/zinc/19/82/84/928198284.db2.gz SJNZNYYGHXOHQK-UHFFFAOYSA-N 0 3 292.382 3.106 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC2CCCC2)C1 ZINC001494880181 928274397 /nfs/dbraw/zinc/27/43/97/928274397.db2.gz YZWRZAKCOULBQT-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001493143204 928325101 /nfs/dbraw/zinc/32/51/01/928325101.db2.gz TUKSRSWXRMTILK-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC001489320364 928329168 /nfs/dbraw/zinc/32/91/68/928329168.db2.gz YTIFGARZLZFZTB-KRWDZBQOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC001490421286 928360343 /nfs/dbraw/zinc/36/03/43/928360343.db2.gz QKYAQSWEXBTCAK-GOSISDBHSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001490547819 928367132 /nfs/dbraw/zinc/36/71/32/928367132.db2.gz HEJQKSYRFSBXHT-DOTOQJQBSA-N 0 3 286.419 3.294 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC001434542230 937248766 /nfs/dbraw/zinc/24/87/66/937248766.db2.gz LXDPPLLZYLXDHB-IUODEOHRSA-N 0 3 281.359 3.112 20 30 CGEDHN COc1ccc(CCCN(C)Cc2cc(C#N)ccn2)cc1 ZINC001459352823 937485803 /nfs/dbraw/zinc/48/58/03/937485803.db2.gz QISFTYJCWUSEPV-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN C=C(C)CN1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001459605581 937493554 /nfs/dbraw/zinc/49/35/54/937493554.db2.gz CAHVLDZEDBXRKP-INIZCTEOSA-N 0 3 258.409 3.390 20 30 CGEDHN C#CCCCCCCN1CCOc2cc(OC)ccc2C1 ZINC001460011062 937511255 /nfs/dbraw/zinc/51/12/55/937511255.db2.gz INNKWURMNRCTNO-UHFFFAOYSA-N 0 3 287.403 3.473 20 30 CGEDHN C=CCCCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC001460052218 937513282 /nfs/dbraw/zinc/51/32/82/937513282.db2.gz LARVWINPOVYMGI-AWEZNQCLSA-N 0 3 278.371 3.420 20 30 CGEDHN CC#CCN1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC001460086552 937514804 /nfs/dbraw/zinc/51/48/04/937514804.db2.gz VDRCDTDZPAFYIT-ZBFHGGJFSA-N 0 3 257.377 3.492 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(-c2ccsc2)cc1 ZINC001460515731 937533813 /nfs/dbraw/zinc/53/38/13/937533813.db2.gz RDJGWZBWHQZMOW-OAHLLOKOSA-N 0 3 259.374 3.052 20 30 CGEDHN CCCCCCCN1CCOC[C@H]1C[C@H]1CCOC1 ZINC001460859027 937549264 /nfs/dbraw/zinc/54/92/64/937549264.db2.gz NPVZEMJAEPCJNP-HZPDHXFCSA-N 0 3 269.429 3.084 20 30 CGEDHN C=C[C@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301684 932128557 /nfs/dbraw/zinc/12/85/57/932128557.db2.gz AXHFEKCNPRYHMI-CQSZACIVSA-N 0 3 261.365 3.164 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](F)CCCCCC)CC1 ZINC001230048653 932530117 /nfs/dbraw/zinc/53/01/17/932530117.db2.gz MKQLPUIIOIOEQU-OAHLLOKOSA-N 0 3 284.419 3.062 20 30 CGEDHN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nncc2n[nH]cc21 ZINC001230899797 932639491 /nfs/dbraw/zinc/63/94/91/932639491.db2.gz AASLLXVYTOHKOQ-UHIISALHSA-N 0 3 272.352 3.113 20 30 CGEDHN N#C[C@H]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000442827188 932691477 /nfs/dbraw/zinc/69/14/77/932691477.db2.gz NRNJNVCMUMKYGM-ZFWWWQNUSA-N 0 3 292.304 3.339 20 30 CGEDHN COc1ccc(-c2cccc(C#N)c2F)cc1CN(C)C ZINC001245068886 932709806 /nfs/dbraw/zinc/70/98/06/932709806.db2.gz LGQXFYHPYPZHET-UHFFFAOYSA-N 0 3 284.334 3.435 20 30 CGEDHN C#CC1(O)CCN([C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC001462461158 937643134 /nfs/dbraw/zinc/64/31/34/937643134.db2.gz WDBBTHXUZJHUFN-AAEUAGOBSA-N 0 3 293.457 3.134 20 30 CGEDHN C#CCN(Cc1cc(C)cc(C)n1)C1CCCCC1 ZINC001307444451 932953275 /nfs/dbraw/zinc/95/32/75/932953275.db2.gz BRHOEVPKAQIIQF-UHFFFAOYSA-N 0 3 256.393 3.466 20 30 CGEDHN CO[C@@]1(C)C[C@@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001307778321 933000589 /nfs/dbraw/zinc/00/05/89/933000589.db2.gz JFBWINZLPKQLOZ-WBVHZDCISA-N 0 3 291.822 3.485 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2cc(C#N)ccn2)C12CCC2 ZINC001307932932 933022778 /nfs/dbraw/zinc/02/27/78/933022778.db2.gz GEWDDJCYKYSJTM-HOTGVXAUSA-N 0 3 299.418 3.169 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001308134894 933055543 /nfs/dbraw/zinc/05/55/43/933055543.db2.gz UBMHSLPCMUQYDM-AWEZNQCLSA-N 0 3 285.391 3.173 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1C=CCC1 ZINC001308503918 933121925 /nfs/dbraw/zinc/12/19/25/933121925.db2.gz WRNAHGAGUFPXEM-ZDUSSCGKSA-N 0 3 275.779 3.408 20 30 CGEDHN C#CCOc1ccccc1CNC[C@@H]1CCCC2(CCC2)O1 ZINC001308537921 933126951 /nfs/dbraw/zinc/12/69/51/933126951.db2.gz FFZVGSZRTXEZBB-KRWDZBQOSA-N 0 3 299.414 3.280 20 30 CGEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCC(=C)Cl ZINC001316874578 933490067 /nfs/dbraw/zinc/49/00/67/933490067.db2.gz SYSUUEBGGVIREY-KBPBESRZSA-N 0 3 284.831 3.064 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001316955422 933501419 /nfs/dbraw/zinc/50/14/19/933501419.db2.gz RPCBYOGBHZJSHG-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN CN(C)CCN(CC1CCCCC1)C(=O)C#CC(C)(C)C ZINC001464479747 937691252 /nfs/dbraw/zinc/69/12/52/937691252.db2.gz YDNPCSLJVBYBRI-UHFFFAOYSA-N 0 3 292.467 3.006 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)[C@](C)(CC)CCCCC)C1 ZINC001317069120 933525716 /nfs/dbraw/zinc/52/57/16/933525716.db2.gz FOCWKYZRCLHEOZ-FUHWJXTLSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(CC)CCC ZINC001318220435 933697060 /nfs/dbraw/zinc/69/70/60/933697060.db2.gz WZKZQFKWMYMWJY-XYJFISCASA-N 0 3 292.467 3.454 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC001320304260 934027003 /nfs/dbraw/zinc/02/70/03/934027003.db2.gz WKSOVDQTCRFLSJ-HIFRSBDPSA-N 0 3 293.407 3.336 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001320305640 934027851 /nfs/dbraw/zinc/02/78/51/934027851.db2.gz BMXSERXMOPKSSB-GXTWGEPZSA-N 0 3 251.757 3.118 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CCc2c1cccc2Br ZINC001320592950 934071911 /nfs/dbraw/zinc/07/19/11/934071911.db2.gz VDDKGMJWBXWAJI-HZMBPMFUSA-N 0 3 296.208 3.227 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(C(F)(F)F)cc1C ZINC001320619907 934075060 /nfs/dbraw/zinc/07/50/60/934075060.db2.gz RHGSJNGQGQEPTK-CYBMUJFWSA-N 0 3 273.298 3.304 20 30 CGEDHN C=CC1(CC(=O)NC[C@H]2CCN2C(C)C)CCCCC1 ZINC001323316937 934383829 /nfs/dbraw/zinc/38/38/29/934383829.db2.gz BTAUKDQTYZNVIX-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001323372052 934391785 /nfs/dbraw/zinc/39/17/85/934391785.db2.gz PTBSYBNUSIWCNP-AWEZNQCLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001324669653 934545897 /nfs/dbraw/zinc/54/58/97/934545897.db2.gz QIGKQALSKOEDLT-QAPCUYQASA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CCCC ZINC001325899926 934938426 /nfs/dbraw/zinc/93/84/26/934938426.db2.gz OMCSPYZEMFOOFA-OWCLPIDISA-N 0 3 278.440 3.064 20 30 CGEDHN CC(C)C[C@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC001473640729 937815292 /nfs/dbraw/zinc/81/52/92/937815292.db2.gz HCHJCFXKCWTFRY-ZDUSSCGKSA-N 0 3 277.437 3.176 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)n1cc(CNCC2CC2)nn1 ZINC001326919534 935016277 /nfs/dbraw/zinc/01/62/77/935016277.db2.gz UTSCLFLPJYOUIZ-GOSISDBHSA-N 0 3 296.418 3.138 20 30 CGEDHN C=CCO[C@@H]1CCN(C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC001327946372 935101215 /nfs/dbraw/zinc/10/12/15/935101215.db2.gz OWOQAEAEYRIIQO-BLLLJJGKSA-N 0 3 281.346 3.345 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001328099379 935116776 /nfs/dbraw/zinc/11/67/76/935116776.db2.gz UVDKOMWLWBPTLB-CVEARBPZSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@H](N)C1CCCCC1 ZINC001328523727 935144904 /nfs/dbraw/zinc/14/49/04/935144904.db2.gz YSMVDFHEVJULCG-HNNXBMFYSA-N 0 3 266.429 3.099 20 30 CGEDHN C=CCCC(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001328707356 935162180 /nfs/dbraw/zinc/16/21/80/935162180.db2.gz PJQNEQBZTIPMPW-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001328752865 935166586 /nfs/dbraw/zinc/16/65/86/935166586.db2.gz NBTLGEMVHGAQNF-MRXNPFEDSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C)c2ccccc12 ZINC001329560127 935228617 /nfs/dbraw/zinc/22/86/17/935228617.db2.gz MWIQNZZYAOCQOI-OAHLLOKOSA-N 0 3 296.414 3.384 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC001329575477 935229644 /nfs/dbraw/zinc/22/96/44/935229644.db2.gz TYHZYNSXBBBEOZ-CVEARBPZSA-N 0 3 288.435 3.193 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C1CC(C)(C)C1)C(C)C ZINC001332699924 935483133 /nfs/dbraw/zinc/48/31/33/935483133.db2.gz QHILOMQDQQKCDG-UHFFFAOYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2nc(C)sc2c1 ZINC001335844129 936164323 /nfs/dbraw/zinc/16/43/23/936164323.db2.gz TZZPFEHRQSAUTB-LBPRGKRZSA-N 0 3 289.404 3.227 20 30 CGEDHN C=C(C)CCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001337532035 936267339 /nfs/dbraw/zinc/26/73/39/936267339.db2.gz VCDZASGSSFMAOY-UHFFFAOYSA-N 0 3 292.398 3.072 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1cc2c(s1)CCC2 ZINC001338114385 936306545 /nfs/dbraw/zinc/30/65/45/936306545.db2.gz ZOBPTWCOMRPWIO-ZYHUDNBSSA-N 0 3 251.395 3.088 20 30 CGEDHN C#C[C@H](NC[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC001474557927 937866887 /nfs/dbraw/zinc/86/68/87/937866887.db2.gz VENCOPLMDGXDTJ-XKQJLSEDSA-N 0 3 299.805 3.141 20 30 CGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001480088903 937932233 /nfs/dbraw/zinc/93/22/33/937932233.db2.gz FVLABESYPIDTEY-GASCZTMLSA-N 0 3 266.429 3.042 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CC(C)C ZINC001494676145 937955633 /nfs/dbraw/zinc/95/56/33/937955633.db2.gz VHELNPMRLJXGEL-IKGGRYGDSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CC1(CC(=O)N[C@H]2CCN(CC(=C)C)C2)CCCCC1 ZINC001494726244 937956118 /nfs/dbraw/zinc/95/61/18/937956118.db2.gz LEZZRTDLDXJRHV-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCC(=O)N[C@]1(CNCC(=C)Cl)CCCC[C@@H]1C ZINC001495308030 937958704 /nfs/dbraw/zinc/95/87/04/937958704.db2.gz NXEDKAUZNKQNKU-BBRMVZONSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc(C)c1C ZINC001498646358 937970635 /nfs/dbraw/zinc/97/06/35/937970635.db2.gz WVGIAROAIDEDMJ-UHFFFAOYSA-N 0 3 294.826 3.108 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001499014378 937971828 /nfs/dbraw/zinc/97/18/28/937971828.db2.gz DQGCSBNSUKIGRL-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](C)NCc1ccsc1 ZINC001507076650 937994166 /nfs/dbraw/zinc/99/41/66/937994166.db2.gz LCWOFZDBFFMDTD-ZDUSSCGKSA-N 0 3 294.464 3.287 20 30 CGEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCCC1CCCCC1 ZINC001507153049 937994646 /nfs/dbraw/zinc/99/46/46/937994646.db2.gz LVAFSSMJXOFHGP-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CC1(CC(=O)N(CCN(C)C)C(C)C)CCCCC1 ZINC001519535839 938019700 /nfs/dbraw/zinc/01/97/00/938019700.db2.gz HYBGFBCCEBCQAU-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001520447901 938025808 /nfs/dbraw/zinc/02/58/08/938025808.db2.gz DBOHYGPAQGMDMK-ADEWGFFLSA-N 0 3 278.302 3.362 20 30 CGEDHN CN(Cc1ccccc1)C1CN(c2cc(F)ccc2C#N)C1 ZINC001559188088 938221800 /nfs/dbraw/zinc/22/18/00/938221800.db2.gz OBWSMJFMKLISNP-UHFFFAOYSA-N 0 3 295.361 3.018 20 30 CGEDHN C=CCC[C@H](NCC(=O)Nc1ccccn1)c1ccccc1 ZINC001559696415 938233169 /nfs/dbraw/zinc/23/31/69/938233169.db2.gz XBVMMYVPKNDYLF-INIZCTEOSA-N 0 3 295.386 3.317 20 30 CGEDHN C#CCN(Cc1ccccc1)C1CC(OC(C)(C)C)C1 ZINC001559820787 938236596 /nfs/dbraw/zinc/23/65/96/938236596.db2.gz OKLGTGSOZZGRIY-UHFFFAOYSA-N 0 3 271.404 3.468 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N1CC[C@@H](C2CCCCC2)C1 ZINC001559977382 938240456 /nfs/dbraw/zinc/24/04/56/938240456.db2.gz SYLRKKOXJIZSDY-CABCVRRESA-N 0 3 265.397 3.006 20 30 CGEDHN Cc1cccc(C)c1CN1CCc2c(C#N)c(N)sc2C1 ZINC001560200600 938246848 /nfs/dbraw/zinc/24/68/48/938246848.db2.gz CSGZTCTUTIYQMY-UHFFFAOYSA-N 0 3 297.427 3.377 20 30 CGEDHN C[C@@]12CSC[C@@H]1CN(Cc1ccc(C#N)cc1Cl)C2 ZINC001560204346 938246991 /nfs/dbraw/zinc/24/69/91/938246991.db2.gz IAGZUJAJKOJPPQ-DZGCQCFKSA-N 0 3 292.835 3.397 20 30 CGEDHN C#CCOc1ccccc1CN[C@@H](C)COc1ccccc1 ZINC001560295785 938251705 /nfs/dbraw/zinc/25/17/05/938251705.db2.gz OCJWMPKWXHHJKK-INIZCTEOSA-N 0 3 295.382 3.256 20 30 CGEDHN C=CCSCCNCc1cccc2c1OC(F)(F)O2 ZINC001560435481 938257941 /nfs/dbraw/zinc/25/79/41/938257941.db2.gz PDSPDABYRXWTKJ-UHFFFAOYSA-N 0 3 287.331 3.017 20 30 CGEDHN C=CCN(Cc1cccs1)Cc1cc[nH]c(=O)c1 ZINC001560725454 938272672 /nfs/dbraw/zinc/27/26/72/938272672.db2.gz FNMFFBQQJKRZHC-UHFFFAOYSA-N 0 3 260.362 3.037 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001483679764 957820961 /nfs/dbraw/zinc/82/09/61/957820961.db2.gz NYEMEKJQESOUQL-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001490872198 958809880 /nfs/dbraw/zinc/80/98/80/958809880.db2.gz QIZJLPIBQKRYHK-MGPQQGTHSA-N 0 3 286.847 3.192 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001570753656 960457184 /nfs/dbraw/zinc/45/71/84/960457184.db2.gz NJADVKJKPKDUBA-WBVHZDCISA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@](C)(CC)CCC)CC1 ZINC001566613721 960566547 /nfs/dbraw/zinc/56/65/47/960566547.db2.gz ODZYGXYJRAXRRS-KRWDZBQOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(CC(C)C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001565752330 960826860 /nfs/dbraw/zinc/82/68/60/960826860.db2.gz MCZPNCVCSKPDSP-MRXNPFEDSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCN1CCCC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001566920419 961060055 /nfs/dbraw/zinc/06/00/55/961060055.db2.gz RYLLYHZAGMIADI-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CC1CCCC1 ZINC001566916873 961064384 /nfs/dbraw/zinc/06/43/84/961064384.db2.gz SSTUUZOOWPBWSN-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCCC ZINC001566954781 961069601 /nfs/dbraw/zinc/06/96/01/961069601.db2.gz CVVJXCGFUZSWAM-IRXDYDNUSA-N 0 3 290.451 3.045 20 30 CGEDHN C=C(C)CCC(=O)NCCN(C)[C@H](C)c1ccccc1 ZINC001567284671 961270052 /nfs/dbraw/zinc/27/00/52/961270052.db2.gz RBGOYXZZTOTMFE-OAHLLOKOSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC001567367116 961308945 /nfs/dbraw/zinc/30/89/45/961308945.db2.gz VLKKQTMAKKDZDY-DBEXCURXSA-N 0 3 298.430 3.247 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C[C@H](C)C2CC2)CCCC1 ZINC001568246345 961533542 /nfs/dbraw/zinc/53/35/42/961533542.db2.gz GNNLAPIBWBTDJG-LBPRGKRZSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC001569355454 961745173 /nfs/dbraw/zinc/74/51/73/961745173.db2.gz KHQWCWMBPVQEML-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001569370056 961746561 /nfs/dbraw/zinc/74/65/61/961746561.db2.gz LTGLSTWITZFDHG-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001570477099 961977979 /nfs/dbraw/zinc/97/79/79/961977979.db2.gz OPDAAIYNYNHPPB-QGZVFWFLSA-N 0 3 286.419 3.077 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001570540696 961987205 /nfs/dbraw/zinc/98/72/05/961987205.db2.gz RPKBXONPGJFYKK-AEFFLSMTSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)N(C)Cc1cccc(CC)c1 ZINC001570700476 962047706 /nfs/dbraw/zinc/04/77/06/962047706.db2.gz QFNJRZSVVOAFAE-OAHLLOKOSA-N 0 3 288.435 3.152 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001570902174 962109934 /nfs/dbraw/zinc/10/99/34/962109934.db2.gz MUNPPMHLBBFAHY-JKSUJKDBSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571241249 962129863 /nfs/dbraw/zinc/12/98/63/962129863.db2.gz WHHLXODVNATBHQ-BYNSBNAKSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccc(CC)cc1)C(C)C ZINC001571616097 962192267 /nfs/dbraw/zinc/19/22/67/962192267.db2.gz QKMRGYIFYOPAMP-UHFFFAOYSA-N 0 3 288.435 3.217 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC001574857727 962318872 /nfs/dbraw/zinc/31/88/72/962318872.db2.gz XWCVYFWEGXDRNM-ZYHUDNBSSA-N 0 3 292.766 3.080 20 30 CGEDHN C=C(C)COc1cccc(NC(=O)[C@H](N)CC(=C)Cl)c1 ZINC001574845378 962320348 /nfs/dbraw/zinc/32/03/48/962320348.db2.gz XVMZANLBFZAZHU-CQSZACIVSA-N 0 3 294.782 3.050 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 ZINC001574901576 962336793 /nfs/dbraw/zinc/33/67/93/962336793.db2.gz MPWJFOCUKQTGCW-RHSMWYFYSA-N 0 3 299.418 3.151 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@@H](C)OC[C@H]1CC ZINC001577426575 962546924 /nfs/dbraw/zinc/54/69/24/962546924.db2.gz SBJSYYUHLJFDNU-OAGGEKHMSA-N 0 3 298.471 3.090 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588560877 963285465 /nfs/dbraw/zinc/28/54/65/963285465.db2.gz UZKFCXGRGHNKKO-HOCLYGCPSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588560877 963285473 /nfs/dbraw/zinc/28/54/73/963285473.db2.gz UZKFCXGRGHNKKO-HOCLYGCPSA-N 0 3 297.406 3.091 20 30 CGEDHN Cc1n[nH]cc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000350654823 219043099 /nfs/dbraw/zinc/04/30/99/219043099.db2.gz HHYUKUIGEYOEEZ-UHFFFAOYSA-N 0 3 282.391 3.248 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2)o1 ZINC000124965835 187163288 /nfs/dbraw/zinc/16/32/88/187163288.db2.gz ZJZKWOPAHCYLAD-OAHLLOKOSA-N 0 3 266.344 3.358 20 30 CGEDHN CCOCC(C)(C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000590187738 346835492 /nfs/dbraw/zinc/83/54/92/346835492.db2.gz VKDSWGYBMMUSCR-UHFFFAOYSA-N 0 3 274.408 3.392 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000651700261 398271457 /nfs/dbraw/zinc/27/14/57/398271457.db2.gz ZCHKSSDDOZTFOD-INMHGKMJSA-N 0 3 284.403 3.126 20 30 CGEDHN CC1(C#N)CCC(N[C@H]2COc3cc(F)cc(F)c32)CC1 ZINC000590649146 346859529 /nfs/dbraw/zinc/85/95/29/346859529.db2.gz ZINXSBLTBAMPEJ-ULKWEWGCSA-N 0 3 292.329 3.460 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000590747264 346871495 /nfs/dbraw/zinc/87/14/95/346871495.db2.gz KLWULENORJVVMO-ZFWWWQNUSA-N 0 3 280.375 3.249 20 30 CGEDHN CCO[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000591015011 346894415 /nfs/dbraw/zinc/89/44/15/346894415.db2.gz HYUZNZYPDXJUSB-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN CC1(C)C[C@H](NCC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000591357743 346916887 /nfs/dbraw/zinc/91/68/87/346916887.db2.gz NYNZDWZTHPGUJG-KRWDZBQOSA-N 0 3 297.446 3.323 20 30 CGEDHN CCc1cnccc1[C@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000440632645 529681455 /nfs/dbraw/zinc/68/14/55/529681455.db2.gz CVEKNFIWZKYBPA-ZDUSSCGKSA-N 0 3 295.386 3.375 20 30 CGEDHN C=C(C)COCCNCc1csc(C(F)(F)F)c1 ZINC000623449917 349812025 /nfs/dbraw/zinc/81/20/25/349812025.db2.gz PIVUGFGOZUVWBI-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN CCCc1ccc2nccc(N3CC[C@](O)(CC#N)C3)c2c1 ZINC000591972351 346952165 /nfs/dbraw/zinc/95/21/65/346952165.db2.gz AXWXGIALEOPUMC-GOSISDBHSA-N 0 3 295.386 3.042 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCC[C@@H]3CCOC3)CC2)cc1 ZINC000592089642 346962613 /nfs/dbraw/zinc/96/26/13/346962613.db2.gz HGNKWOSYWRNTBO-QGZVFWFLSA-N 0 3 296.414 3.464 20 30 CGEDHN Cc1cccc([C@H]2CCN(Cc3ccc(C#N)o3)C2)c1 ZINC000273168501 192064679 /nfs/dbraw/zinc/06/46/79/192064679.db2.gz LXAXADYFJZDXLZ-HNNXBMFYSA-N 0 3 266.344 3.449 20 30 CGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC(C)(C)C ZINC000592144291 346966706 /nfs/dbraw/zinc/96/67/06/346966706.db2.gz HKQXGMMEHPYOFD-CQSZACIVSA-N 0 3 293.455 3.086 20 30 CGEDHN Cc1ccc(CC(C)(C)NCc2ccncc2C#N)cc1 ZINC000592125127 346964994 /nfs/dbraw/zinc/96/49/94/346964994.db2.gz QAANHGLDFZDLOJ-UHFFFAOYSA-N 0 3 279.387 3.373 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCCC2(F)F)o1 ZINC000295080029 199334904 /nfs/dbraw/zinc/33/49/04/199334904.db2.gz IFATXWMCGCTGOM-JTQLQIEISA-N 0 3 254.280 3.066 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2cc(C#N)cs2)C1 ZINC000592374811 346980187 /nfs/dbraw/zinc/98/01/87/346980187.db2.gz KPPUMVKQIXNAGT-TXEJJXNPSA-N 0 3 264.394 3.055 20 30 CGEDHN CC[C@H](C)C[C@@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000592399340 346984844 /nfs/dbraw/zinc/98/48/44/346984844.db2.gz XIZLSFGUWPNDOR-ZOWXZIJZSA-N 0 3 278.371 3.145 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623856265 349897176 /nfs/dbraw/zinc/89/71/76/349897176.db2.gz QLWNIJAUCFBJPO-ZBFHGGJFSA-N 0 3 293.455 3.047 20 30 CGEDHN CN(CCOc1cccc(C#N)c1)Cc1ccsc1 ZINC000035719209 344942711 /nfs/dbraw/zinc/94/27/11/344942711.db2.gz OBZRSWVQHVGCPG-UHFFFAOYSA-N 0 3 272.373 3.131 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCc3ccccc3CC2)c1 ZINC000071202982 345402568 /nfs/dbraw/zinc/40/25/68/345402568.db2.gz SRNDTXCRQPYDDQ-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN C[C@H]1c2ccsc2CCN1CCCSCC#N ZINC000074981048 345488991 /nfs/dbraw/zinc/48/89/91/345488991.db2.gz ITVSUTLGZWAUEQ-NSHDSACASA-N 0 3 266.435 3.314 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncc(Cl)cc2F)CC1 ZINC000079299296 345635631 /nfs/dbraw/zinc/63/56/31/345635631.db2.gz MEXYPWQMHIJHBF-UHFFFAOYSA-N 0 3 283.778 3.327 20 30 CGEDHN N#CCCN(CCCCOc1ccccc1)CC1CC1 ZINC000081045000 345697618 /nfs/dbraw/zinc/69/76/18/345697618.db2.gz TUAAXXBTESGQHE-UHFFFAOYSA-N 0 3 272.392 3.471 20 30 CGEDHN CC(C)CCO[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000083247589 345725851 /nfs/dbraw/zinc/72/58/51/345725851.db2.gz KANBTYBENVWUNH-QGZVFWFLSA-N 0 3 272.392 3.195 20 30 CGEDHN C=CCCC[C@H](C)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000091593853 345818661 /nfs/dbraw/zinc/81/86/61/345818661.db2.gz LGECYZXPUSKIAO-AAEUAGOBSA-N 0 3 279.346 3.366 20 30 CGEDHN C=CCOc1ccc(CN2CCC2(C)C)cc1OC ZINC000093460352 345879878 /nfs/dbraw/zinc/87/98/78/345879878.db2.gz VLJRSUMTDYFIHO-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN CCO[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135242753 346087072 /nfs/dbraw/zinc/08/70/72/346087072.db2.gz FXSQRLHBXBIRPS-MRXNPFEDSA-N 0 3 286.419 3.489 20 30 CGEDHN CC(C)N(CCc1nccs1)Cc1ccc(C#N)cc1 ZINC000159757152 346168908 /nfs/dbraw/zinc/16/89/08/346168908.db2.gz SKGMEWQDAVEVPQ-UHFFFAOYSA-N 0 3 285.416 3.468 20 30 CGEDHN C=CC(C)(C)CCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000624037184 349952456 /nfs/dbraw/zinc/95/24/56/349952456.db2.gz PFQRVYWDTAPYQA-ZDUSSCGKSA-N 0 3 261.413 3.472 20 30 CGEDHN Cc1cccnc1[C@H](N[C@H]1CC[C@H](C#N)C1)C(C)C ZINC000278642741 346416020 /nfs/dbraw/zinc/41/60/20/346416020.db2.gz PBKBCEAUWQRXMT-SOUVJXGZSA-N 0 3 257.381 3.369 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@H]2CCOc3ccccc32)C1 ZINC000397656162 346583999 /nfs/dbraw/zinc/58/39/99/346583999.db2.gz FZVSAWNTAGXXBT-LSDHHAIUSA-N 0 3 270.376 3.178 20 30 CGEDHN CC[C@H]1CN(CCCCC(C)(C)C#N)[C@H](C)CO1 ZINC000404015605 346598972 /nfs/dbraw/zinc/59/89/72/346598972.db2.gz WKUKSOQALNSBOI-KGLIPLIRSA-N 0 3 252.402 3.206 20 30 CGEDHN N#Cc1cccc(OCCN2CCC3(CC3(F)F)CC2)c1 ZINC000404841694 346601402 /nfs/dbraw/zinc/60/14/02/346601402.db2.gz BXPSFCLFURZROE-UHFFFAOYSA-N 0 3 292.329 3.058 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CC[C@H](C(C)C)[C@H](C)C2)nn1 ZINC000424166788 346612668 /nfs/dbraw/zinc/61/26/68/346612668.db2.gz BHOKKPFHSAHNTI-IIAWOOMASA-N 0 3 276.428 3.015 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](C(C)C)[C@@H](C)C2)nn1 ZINC000424166789 346612699 /nfs/dbraw/zinc/61/26/99/346612699.db2.gz BHOKKPFHSAHNTI-LZWOXQAQSA-N 0 3 276.428 3.015 20 30 CGEDHN C#C[C@@H](N[C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(F)cc1 ZINC000491710148 346629809 /nfs/dbraw/zinc/62/98/09/346629809.db2.gz SUBGNHQTOANXPM-QKGUJMCYSA-N 0 3 287.378 3.293 20 30 CGEDHN COc1cc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)ccn1 ZINC000585726473 346727856 /nfs/dbraw/zinc/72/78/56/346727856.db2.gz CHFJLDBJJGSFQJ-PXAZEXFGSA-N 0 3 293.370 3.300 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000586794540 346736831 /nfs/dbraw/zinc/73/68/31/346736831.db2.gz JPQJDLJHJREYMJ-CVEARBPZSA-N 0 3 270.376 3.423 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCC(F)(F)C1)CC2 ZINC000589342648 346794150 /nfs/dbraw/zinc/79/41/50/346794150.db2.gz AJMATKLEZOHTBU-GXTWGEPZSA-N 0 3 262.303 3.323 20 30 CGEDHN N#CCCN(CC1CC1)CC1Cc2ccccc2C1 ZINC000589498243 346798735 /nfs/dbraw/zinc/79/87/35/346798735.db2.gz GGYNOJRVTBZLMW-UHFFFAOYSA-N 0 3 254.377 3.027 20 30 CGEDHN CCC(C)(C)N1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000594021245 347138140 /nfs/dbraw/zinc/13/81/40/347138140.db2.gz PYQSYJWTPVLTKD-UHFFFAOYSA-N 0 3 289.398 3.004 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@H]1CCCCO1 ZINC000594042617 347143603 /nfs/dbraw/zinc/14/36/03/347143603.db2.gz LUGDRRIYIYVWDX-ZIAGYGMSSA-N 0 3 264.394 3.057 20 30 CGEDHN CC(C)OC(=O)C[C@@H](NCc1ccc(C#N)s1)C(C)C ZINC000594045149 347144209 /nfs/dbraw/zinc/14/42/09/347144209.db2.gz XAPXGJPZIZNJEG-CQSZACIVSA-N 0 3 294.420 3.076 20 30 CGEDHN N#Cc1c(F)cccc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594604354 347201308 /nfs/dbraw/zinc/20/13/08/347201308.db2.gz YOKALNZERDNBQQ-JKSUJKDBSA-N 0 3 273.355 3.126 20 30 CGEDHN Cc1cccc([C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594427273 347173810 /nfs/dbraw/zinc/17/38/10/347173810.db2.gz HSXCSRJOSSGCJO-DLBZAZTESA-N 0 3 299.418 3.070 20 30 CGEDHN CC(C)(C#N)c1ccc(CNC[C@H]2CCCCO2)cc1 ZINC000594496335 347178245 /nfs/dbraw/zinc/17/82/45/347178245.db2.gz KEXISZHKOCWEJI-MRXNPFEDSA-N 0 3 272.392 3.146 20 30 CGEDHN CCOc1ccc(CNCC(C)(C)CC#N)c(C)c1 ZINC000594947014 347237840 /nfs/dbraw/zinc/23/78/40/347237840.db2.gz VYAPORCXWMGRMI-UHFFFAOYSA-N 0 3 260.381 3.423 20 30 CGEDHN C=CCCSCCNCc1ccc(OC)cc1OC ZINC000594959690 347240598 /nfs/dbraw/zinc/24/05/98/347240598.db2.gz AAHIRUMQTPRUEF-UHFFFAOYSA-N 0 3 281.421 3.103 20 30 CGEDHN C=CCCSCCNCc1ccc(N2CCCC2)nc1 ZINC000594960600 347241490 /nfs/dbraw/zinc/24/14/90/347241490.db2.gz VLZBLYNJULVFSC-UHFFFAOYSA-N 0 3 291.464 3.081 20 30 CGEDHN C=CCCSCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594960619 347241497 /nfs/dbraw/zinc/24/14/97/347241497.db2.gz WKZSFTKFERPABU-UHFFFAOYSA-N 0 3 296.392 3.002 20 30 CGEDHN COC1(CNCC2(C#N)CCCCC2)CCCC1 ZINC000594981343 347248557 /nfs/dbraw/zinc/24/85/57/347248557.db2.gz NPQBZQAHOLEGLY-UHFFFAOYSA-N 0 3 250.386 3.009 20 30 CGEDHN C[C@H](NC[C@H]1CCOC1(C)C)c1ccc(C#N)cc1F ZINC000595104930 347284435 /nfs/dbraw/zinc/28/44/35/347284435.db2.gz ALAPOOSNZKDXAV-WCQYABFASA-N 0 3 276.355 3.163 20 30 CGEDHN CC1(C)CCN(C(=O)[C@@H](N)CCCCC#N)CC(C)(C)C1 ZINC000595256689 347285741 /nfs/dbraw/zinc/28/57/41/347285741.db2.gz QRPKCWOEXMBAIR-AWEZNQCLSA-N 0 3 293.455 3.072 20 30 CGEDHN CSc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000595255889 347285758 /nfs/dbraw/zinc/28/57/58/347285758.db2.gz JQAYFGFXQMYJJM-JTQLQIEISA-N 0 3 297.811 3.022 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cc(C(=O)OC)co1 ZINC000595057701 347272609 /nfs/dbraw/zinc/27/26/09/347272609.db2.gz CLGAUZPHPFSMLA-LLVKDONJSA-N 0 3 283.393 3.026 20 30 CGEDHN CC1(C)[C@H](NCC2(C#N)CCCCC2)[C@@H]2CCCO[C@@H]21 ZINC000595091269 347280981 /nfs/dbraw/zinc/28/09/81/347280981.db2.gz OYLLHNXVRXQRTF-ZNMIVQPWSA-N 0 3 276.424 3.254 20 30 CGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@@]1(C)CCCO1 ZINC000595091594 347281108 /nfs/dbraw/zinc/28/11/08/347281108.db2.gz RSQKXUYNGHBPEP-ZIAGYGMSSA-N 0 3 250.386 3.008 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)OC)co1 ZINC000595602697 347325060 /nfs/dbraw/zinc/32/50/60/347325060.db2.gz JYDSGGHXOLWUNR-DOMZBBRYSA-N 0 3 277.364 3.291 20 30 CGEDHN N#CC[C@@H]1CCCN(CCCOc2ccc(F)cc2)C1 ZINC000595610890 347326303 /nfs/dbraw/zinc/32/63/03/347326303.db2.gz COLFWMIOODBODI-AWEZNQCLSA-N 0 3 276.355 3.220 20 30 CGEDHN N#CC[C@H]1CCCN(CC2CCC(F)(F)CC2)C1 ZINC000595623275 347329760 /nfs/dbraw/zinc/32/97/60/347329760.db2.gz LOZQTRNKXJXZFU-GFCCVEGCSA-N 0 3 256.340 3.438 20 30 CGEDHN CC(C)(NCCOCC1CCC1)c1cccc(C#N)c1 ZINC000595633425 347330104 /nfs/dbraw/zinc/33/01/04/347330104.db2.gz RIXHEVGJVPABHA-UHFFFAOYSA-N 0 3 272.392 3.200 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595659062 347334539 /nfs/dbraw/zinc/33/45/39/347334539.db2.gz JDWAZVLEQDZSSB-CYBMUJFWSA-N 0 3 290.363 3.392 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000595661053 347335164 /nfs/dbraw/zinc/33/51/64/347335164.db2.gz XAARDUGRZMWBMH-GJZGRUSLSA-N 0 3 297.402 3.173 20 30 CGEDHN C=CCN(Cc1cc(C(=O)OC)oc1C)C(C)(C)C ZINC000595762575 347352587 /nfs/dbraw/zinc/35/25/87/347352587.db2.gz BBRFECKPHCFNQU-UHFFFAOYSA-N 0 3 265.353 3.161 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000595779765 347355025 /nfs/dbraw/zinc/35/50/25/347355025.db2.gz HVYVYINSXFQRAJ-CABCVRRESA-N 0 3 286.419 3.487 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)s1 ZINC000595788019 347356346 /nfs/dbraw/zinc/35/63/46/347356346.db2.gz MBRAWZGICRRTRZ-CJNGLKHVSA-N 0 3 290.432 3.401 20 30 CGEDHN N#CCC1CCN(CCc2nsc3ccccc32)CC1 ZINC000595424578 347301725 /nfs/dbraw/zinc/30/17/25/347301725.db2.gz GQYGRQOYFIONBK-UHFFFAOYSA-N 0 3 285.416 3.464 20 30 CGEDHN C[C@]12CCN(CCc3ccc(C#N)cc3)C[C@H]1C2(F)F ZINC000595499461 347312449 /nfs/dbraw/zinc/31/24/49/347312449.db2.gz NVLMKWDLHCPIPS-CABCVRRESA-N 0 3 276.330 3.078 20 30 CGEDHN C[C@@H](NC[C@H](O)CCc1ccccc1)c1ccc(C#N)cc1 ZINC000273307107 192106043 /nfs/dbraw/zinc/10/60/43/192106043.db2.gz VTVATVBUBLTJJS-DNVCBOLYSA-N 0 3 294.398 3.203 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](CC)C(=O)OC(C)(C)C ZINC000595845452 347367570 /nfs/dbraw/zinc/36/75/70/347367570.db2.gz OOKFJPJIROIWFF-HZSPNIEDSA-N 0 3 265.397 3.290 20 30 CGEDHN CC1(C)C[C@]1(CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000596050756 347377440 /nfs/dbraw/zinc/37/74/40/347377440.db2.gz OGTSOCJVJRCDKS-YJBOKZPZSA-N 0 3 281.403 3.387 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc3cnccc3c2)C1 ZINC000597175519 347544501 /nfs/dbraw/zinc/54/45/01/347544501.db2.gz BJPZPQVATHBXCM-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)cc(C)c1O ZINC000597176942 347545101 /nfs/dbraw/zinc/54/51/01/347545101.db2.gz JTVDIJLPLPQKET-AWEZNQCLSA-N 0 3 258.365 3.135 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc3c2CCC3)C1 ZINC000597177494 347545422 /nfs/dbraw/zinc/54/54/22/347545422.db2.gz NDLDVKXSMIOJBV-CQSZACIVSA-N 0 3 254.377 3.301 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC000597081773 347533906 /nfs/dbraw/zinc/53/39/06/347533906.db2.gz DFZYEPVATBASOS-KGLIPLIRSA-N 0 3 256.393 3.246 20 30 CGEDHN CC(C#N)C(=O)NCC1CC(C)(C)CC(C)(C)C1 ZINC000598141303 347632941 /nfs/dbraw/zinc/63/29/41/347632941.db2.gz IXOXNSWNPOJRGL-LLVKDONJSA-N 0 3 250.386 3.115 20 30 CGEDHN CCN(C(=O)c1cccc(CN2CCCCC2)c1)[C@@H](C)C#N ZINC000598350896 347647612 /nfs/dbraw/zinc/64/76/12/347647612.db2.gz VTLKSSGNDRJLHZ-HNNXBMFYSA-N 0 3 299.418 3.047 20 30 CGEDHN CC(C)CN(Cc1cccc(Cl)c1)C(=O)C(C)C#N ZINC000598782749 347688085 /nfs/dbraw/zinc/68/80/85/347688085.db2.gz CHXUZCLJGVQQLN-LBPRGKRZSA-N 0 3 278.783 3.484 20 30 CGEDHN C[C@]1(CNCc2ccc(C#N)cc2F)C[C@H]2C[C@H]2C1 ZINC000599004382 347705606 /nfs/dbraw/zinc/70/56/06/347705606.db2.gz AEJFSCYJKCQFFH-FOLVSLTJSA-N 0 3 258.340 3.223 20 30 CGEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1CCCCO1 ZINC000599037417 347708922 /nfs/dbraw/zinc/70/89/22/347708922.db2.gz AXABZTDMHAIACW-XJKSGUPXSA-N 0 3 270.376 3.095 20 30 CGEDHN CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(F)ccc1F ZINC000598603667 347670480 /nfs/dbraw/zinc/67/04/80/347670480.db2.gz YIGOIMPKNKECAU-SWLSCSKDSA-N 0 3 296.361 3.306 20 30 CGEDHN Cc1ccc(CN(C)CCCOC(C)C)cc1C#N ZINC000599298441 347733893 /nfs/dbraw/zinc/73/38/93/347733893.db2.gz SLSRXLSYOXCYDD-UHFFFAOYSA-N 0 3 260.381 3.114 20 30 CGEDHN Cc1ccc(CN2CCSCC[C@H]2C)cc1C#N ZINC000599383954 347741571 /nfs/dbraw/zinc/74/15/71/347741571.db2.gz CSAWZBDPBBOGEU-CYBMUJFWSA-N 0 3 260.406 3.194 20 30 CGEDHN COC[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599435419 347744667 /nfs/dbraw/zinc/74/46/67/347744667.db2.gz UVYVGYVOVRCHNY-HNNXBMFYSA-N 0 3 272.392 3.115 20 30 CGEDHN CCO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599434220 347744906 /nfs/dbraw/zinc/74/49/06/347744906.db2.gz VDZQIVSQLBQSPH-PBHICJAKSA-N 0 3 272.392 3.114 20 30 CGEDHN CCOC[C@@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599437760 347745712 /nfs/dbraw/zinc/74/57/12/347745712.db2.gz MASWKBKSVWGCMF-KRWDZBQOSA-N 0 3 272.392 3.258 20 30 CGEDHN N#Cc1cccc(OCCCN2CCCC(F)(F)CC2)c1 ZINC000599551369 347753605 /nfs/dbraw/zinc/75/36/05/347753605.db2.gz LWMGTUHZHQKXEM-UHFFFAOYSA-N 0 3 294.345 3.448 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)s1 ZINC000599553388 347754327 /nfs/dbraw/zinc/75/43/27/347754327.db2.gz SBUORMOWWSIIIR-PWSUYJOCSA-N 0 3 264.419 3.090 20 30 CGEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2cccc(C#N)c2)cc1 ZINC000600778177 347833711 /nfs/dbraw/zinc/83/37/11/347833711.db2.gz UZSUFVUIPYTMGY-SCLBCKFNSA-N 0 3 278.355 3.275 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000601286924 347888755 /nfs/dbraw/zinc/88/87/55/347888755.db2.gz CDSGPOIIGBPOOB-LERXQTSPSA-N 0 3 298.308 3.021 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000601286974 347888858 /nfs/dbraw/zinc/88/88/58/347888858.db2.gz COAJULIBISKSJD-HCKVZZMMSA-N 0 3 296.773 3.184 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000602428135 347956446 /nfs/dbraw/zinc/95/64/46/347956446.db2.gz GEJZTXYQPFWUND-OEPRFQHASA-N 0 3 297.446 3.257 20 30 CGEDHN CCc1ccccc1NC(=O)CN(C)C[C@@H](C)CCC#N ZINC000602432964 347956852 /nfs/dbraw/zinc/95/68/52/347956852.db2.gz KKVBBIJLGPQHOP-AWEZNQCLSA-N 0 3 287.407 3.059 20 30 CGEDHN C[C@@H](CN(C)Cc1cccc(C#N)n1)c1ccccc1 ZINC000602459868 347962277 /nfs/dbraw/zinc/96/22/77/347962277.db2.gz VPQSEZPAVVAPHH-AWEZNQCLSA-N 0 3 265.360 3.189 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000602473746 347964814 /nfs/dbraw/zinc/96/48/14/347964814.db2.gz WQVWBPHBIXCWPS-OAHLLOKOSA-N 0 3 295.361 3.157 20 30 CGEDHN CCC[C@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602535100 347977543 /nfs/dbraw/zinc/97/75/43/347977543.db2.gz NAFDILSFRKOMMV-MRXNPFEDSA-N 0 3 279.387 3.454 20 30 CGEDHN CC(C)c1ccc(CCNCc2cccc(C#N)n2)cc1 ZINC000602499811 347970890 /nfs/dbraw/zinc/97/08/90/347970890.db2.gz TZYRSDXVIRJDIC-UHFFFAOYSA-N 0 3 279.387 3.409 20 30 CGEDHN CC(C)[C@@H](NCc1cccc(C#N)n1)c1ccccc1 ZINC000602502609 347971142 /nfs/dbraw/zinc/97/11/42/347971142.db2.gz MBCFEQKYALDKLU-QGZVFWFLSA-N 0 3 265.360 3.440 20 30 CGEDHN CC(C)[C@@H](CNCc1cccc(C#N)n1)Nc1ccccc1 ZINC000602510454 347972947 /nfs/dbraw/zinc/97/29/47/347972947.db2.gz IZQLSQFAFYIANJ-GOSISDBHSA-N 0 3 294.402 3.180 20 30 CGEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)s1 ZINC000602517143 347974449 /nfs/dbraw/zinc/97/44/49/347974449.db2.gz WDRHJKXRERUAFG-LBPRGKRZSA-N 0 3 278.421 3.245 20 30 CGEDHN C[C@@H](CCC#N)CNCc1nnc(-c2ccccc2)s1 ZINC000602567575 347984421 /nfs/dbraw/zinc/98/44/21/347984421.db2.gz HATSQHPLYPEEIB-LBPRGKRZSA-N 0 3 286.404 3.235 20 30 CGEDHN CC[C@@H](C)[C@@H](CNC1(c2cccc(C#N)c2)CC1)OC ZINC000602581294 347988168 /nfs/dbraw/zinc/98/81/68/347988168.db2.gz JKHLBRAGZFSJEH-CZUORRHYSA-N 0 3 272.392 3.198 20 30 CGEDHN N#CCC1(CN2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC000602784625 348028314 /nfs/dbraw/zinc/02/83/14/348028314.db2.gz UNVLMFLBHWPVOD-UHFFFAOYSA-N 0 3 288.366 3.363 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@H]1CCc2cc(C#N)ccc21)OC ZINC000602642475 347999986 /nfs/dbraw/zinc/99/99/86/347999986.db2.gz YEIQMVSTKXVFPH-ZLIFDBKOSA-N 0 3 272.392 3.196 20 30 CGEDHN C[C@@H](CCC#N)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000602659224 348002951 /nfs/dbraw/zinc/00/29/51/348002951.db2.gz PVZQYRMDFINYGT-HOCLYGCPSA-N 0 3 260.356 3.497 20 30 CGEDHN CC[C@H](CNCc1cccc(C#N)n1)CC(F)(F)F ZINC000602689446 348009922 /nfs/dbraw/zinc/00/99/22/348009922.db2.gz HUQVTKBJPWJZBE-JTQLQIEISA-N 0 3 271.286 3.021 20 30 CGEDHN N#CC1(CNCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000602718746 348016266 /nfs/dbraw/zinc/01/62/66/348016266.db2.gz KMLBVKQLTCDVKB-UHFFFAOYSA-N 0 3 287.363 3.201 20 30 CGEDHN C[C@@H](CCC#N)CN1CCc2c(CC#N)cccc2C1 ZINC000602729397 348019950 /nfs/dbraw/zinc/01/99/50/348019950.db2.gz JYPJCMHIIHNKTJ-AWEZNQCLSA-N 0 3 267.376 3.051 20 30 CGEDHN CCN(Cc1ccc(OC)cc1)CC1(CC#N)CC1 ZINC000602764718 348025176 /nfs/dbraw/zinc/02/51/76/348025176.db2.gz HNEZOJFZMXCACN-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 ZINC000602556302 347981249 /nfs/dbraw/zinc/98/12/49/347981249.db2.gz KZNVXJWTJOXXBH-HZSPNIEDSA-N 0 3 255.365 3.012 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)N(C)CC1(CC#N)CC1 ZINC000602842396 348035258 /nfs/dbraw/zinc/03/52/58/348035258.db2.gz XITMJWPLCPCEMJ-CYBMUJFWSA-N 0 3 260.356 3.382 20 30 CGEDHN N#CCC1(CN[C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000602838772 348035717 /nfs/dbraw/zinc/03/57/17/348035717.db2.gz RTQZWTWLDUVCSI-KRWDZBQOSA-N 0 3 296.414 3.364 20 30 CGEDHN C[C@@H]1CN(CC[C@@H]2CCc3ccccc32)C[C@H](C)N1CC#N ZINC000602848193 348036121 /nfs/dbraw/zinc/03/61/21/348036121.db2.gz FIUZURJLSAYJSZ-JZXOWHBKSA-N 0 3 297.446 3.025 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(c3ccc(F)cn3)CC2)C1 ZINC000602902964 348041840 /nfs/dbraw/zinc/04/18/40/348041840.db2.gz HJYUIADNCRKYAG-SWLSCSKDSA-N 0 3 273.355 3.092 20 30 CGEDHN C[C@H](CCC#N)N1CCC(c2ccc(F)cn2)CC1 ZINC000602904802 348042825 /nfs/dbraw/zinc/04/28/25/348042825.db2.gz ODIRVVKAMQTTGI-GFCCVEGCSA-N 0 3 261.344 3.092 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(Oc2ccccc2F)CC1 ZINC000602949236 348046923 /nfs/dbraw/zinc/04/69/23/348046923.db2.gz VZPFYKCMDWTGDN-ZDUSSCGKSA-N 0 3 276.355 3.361 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(Cc3nccs3)CC2)C1 ZINC000602954017 348047016 /nfs/dbraw/zinc/04/70/16/348047016.db2.gz GCPDIIJFZAIIFK-UONOGXRCSA-N 0 3 275.421 3.090 20 30 CGEDHN N#Cc1ccc(NC(=O)CN(C2CC2)C2CCCCC2)cc1 ZINC000603875014 348101301 /nfs/dbraw/zinc/10/13/01/348101301.db2.gz HYANWEATIWHUHT-UHFFFAOYSA-N 0 3 297.402 3.294 20 30 CGEDHN CC#CCN(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000607728178 348258429 /nfs/dbraw/zinc/25/84/29/348258429.db2.gz NGTRLBNAYCYJQX-SJORKVTESA-N 0 3 257.377 3.109 20 30 CGEDHN Fc1ccc(C#CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000279269248 282974718 /nfs/dbraw/zinc/97/47/18/282974718.db2.gz NDPKTLCNDYVRBK-KURKYZTESA-N 0 3 299.389 3.115 20 30 CGEDHN N#Cc1ccc(OCCN2CCCc3sccc3C2)cc1 ZINC000609323047 348342136 /nfs/dbraw/zinc/34/21/36/348342136.db2.gz RJMUSQNGXNBVIV-UHFFFAOYSA-N 0 3 298.411 3.447 20 30 CGEDHN CC(C)(C#N)CCCN1CC(C)(C)OCC1(C)C ZINC000610453338 348383354 /nfs/dbraw/zinc/38/33/54/348383354.db2.gz PSMWQHQVWHTFAP-UHFFFAOYSA-N 0 3 252.402 3.206 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2ccnc2)C1 ZINC000609823366 348354739 /nfs/dbraw/zinc/35/47/39/348354739.db2.gz ADUIIVMRIZFAAX-WMLDXEAASA-N 0 3 280.375 3.153 20 30 CGEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccnc(C#N)c1 ZINC000610993190 348415349 /nfs/dbraw/zinc/41/53/49/348415349.db2.gz GONDKDSSWZQFJF-XJKSGUPXSA-N 0 3 295.361 3.470 20 30 CGEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccnc(C#N)c2)C1 ZINC000610993969 348416744 /nfs/dbraw/zinc/41/67/44/348416744.db2.gz OUBHEHMPSZYDHZ-LSDHHAIUSA-N 0 3 275.421 3.059 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)ncn2C)c1cccc(C#N)c1 ZINC000611376972 348442100 /nfs/dbraw/zinc/44/21/00/348442100.db2.gz YKHNXKRAXDHANP-ZDUSSCGKSA-N 0 3 290.370 3.296 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394443 348446498 /nfs/dbraw/zinc/44/64/98/348446498.db2.gz JKTXZPBCYXIAEF-QGZVFWFLSA-N 0 3 270.376 3.118 20 30 CGEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCCSCC#N ZINC000611554390 348460344 /nfs/dbraw/zinc/46/03/44/348460344.db2.gz NFBHVCVVUCCZDU-MNOVXSKESA-N 0 3 280.359 3.296 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000614160717 348653541 /nfs/dbraw/zinc/65/35/41/348653541.db2.gz BVBHFYOKVUCZSM-UHFFFAOYSA-N 0 3 297.446 3.015 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccccc2C#N)C12CCCC2 ZINC000339500606 215212999 /nfs/dbraw/zinc/21/29/99/215212999.db2.gz QTAUEKFQPXXKFI-IAGOWNOFSA-N 0 3 284.403 3.386 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000615120056 348716001 /nfs/dbraw/zinc/71/60/01/348716001.db2.gz OIAWJKJPYZYJPO-KSZLIROESA-N 0 3 281.403 3.431 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccnc2)C1 ZINC000614962863 348703154 /nfs/dbraw/zinc/70/31/54/348703154.db2.gz KBKCFMGMLPXXAO-RHSMWYFYSA-N 0 3 280.375 3.153 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccccc1C#N ZINC000339511953 215221295 /nfs/dbraw/zinc/22/12/95/215221295.db2.gz ZVSKGJLEJYXJAU-JKSUJKDBSA-N 0 3 272.392 3.242 20 30 CGEDHN Cc1nc(CCN[C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358440320 233133366 /nfs/dbraw/zinc/13/33/66/233133366.db2.gz IZYOANRRLCTZSA-JTQLQIEISA-N 0 3 289.379 3.356 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCC12CCOCC2 ZINC000618318420 349068803 /nfs/dbraw/zinc/06/88/03/349068803.db2.gz YRCIMMISYYOWGB-UHFFFAOYSA-N 0 3 284.403 3.243 20 30 CGEDHN Cc1cc(CN[C@H]2CCC(F)(F)C2)ccc1C#N ZINC000618194723 349061433 /nfs/dbraw/zinc/06/14/33/349061433.db2.gz XYBXJJBIGAXSNT-ZDUSSCGKSA-N 0 3 250.292 3.144 20 30 CGEDHN Cc1cc(CNC[C@H]2OCCc3ccccc32)ccc1C#N ZINC000618193476 349061558 /nfs/dbraw/zinc/06/15/58/349061558.db2.gz HXFUOSBSDVRCRX-LJQANCHMSA-N 0 3 292.382 3.270 20 30 CGEDHN Cn1cc([C@H](N[C@H]2CCC[C@H](C#N)C2)C(C)(C)C)cn1 ZINC000618601558 349118754 /nfs/dbraw/zinc/11/87/54/349118754.db2.gz LFJUXRVZYNUIFX-QEJZJMRPSA-N 0 3 274.412 3.179 20 30 CGEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618741278 349151818 /nfs/dbraw/zinc/15/18/18/349151818.db2.gz DATLYJDQOHBLOH-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN Cn1cc(CN[C@H]2CCc3cc(Cl)ccc32)cc1C#N ZINC000190896464 282646045 /nfs/dbraw/zinc/64/60/45/282646045.db2.gz WQVVVVZUHFDNHD-INIZCTEOSA-N 0 3 285.778 3.327 20 30 CGEDHN CC(C)OC1CC(NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619847408 349287505 /nfs/dbraw/zinc/28/75/05/349287505.db2.gz ZIDZADWHEKSQTQ-UHFFFAOYSA-N 0 3 278.783 3.257 20 30 CGEDHN C[C@H](CN[C@H]1CC[C@H](C#N)C1)c1nc(-c2ccccc2)no1 ZINC000619673368 349269428 /nfs/dbraw/zinc/26/94/28/349269428.db2.gz KIYQKNYCMUNHTN-IPYPFGDCSA-N 0 3 296.374 3.122 20 30 CGEDHN N#Cc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748998 349281566 /nfs/dbraw/zinc/28/15/66/349281566.db2.gz VTWNEHSSGPNRNA-UHFFFAOYSA-N 0 3 281.746 3.373 20 30 CGEDHN CCOC[C@@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC000625414831 350168731 /nfs/dbraw/zinc/16/87/31/350168731.db2.gz YGGIPZAJRCBEPX-MRXNPFEDSA-N 0 3 279.811 3.342 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000625703204 350199979 /nfs/dbraw/zinc/19/99/79/350199979.db2.gz YZCGKACIAGWMMF-HZPDHXFCSA-N 0 3 286.419 3.104 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](C)c1ccccc1 ZINC000625558132 350184221 /nfs/dbraw/zinc/18/42/21/350184221.db2.gz MAOOZGURTAYELY-OIISXLGYSA-N 0 3 284.403 3.047 20 30 CGEDHN C=CCN(C[C@@H](O)c1ccccc1Br)C1CC1 ZINC000271372013 191103079 /nfs/dbraw/zinc/10/30/79/191103079.db2.gz HAAXOBMWRYPEBM-CQSZACIVSA-N 0 3 296.208 3.133 20 30 CGEDHN C=CCN(CCC(=O)Nc1ccc(OCC)cc1)C1CC1 ZINC000271375373 191105474 /nfs/dbraw/zinc/10/54/74/191105474.db2.gz HQDGWZWSQSFORY-UHFFFAOYSA-N 0 3 288.391 3.064 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc3ccc(C)cn23)C1 ZINC000628405549 350529702 /nfs/dbraw/zinc/52/97/02/350529702.db2.gz OEBPBZBFGKZLCN-CQSZACIVSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628543642 350573374 /nfs/dbraw/zinc/57/33/74/350573374.db2.gz BBPKVTLQJLWEDZ-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCC(C)(C)CNCc1cnc(C2CC2)nc1 ZINC000631217886 350993285 /nfs/dbraw/zinc/99/32/85/350993285.db2.gz GYWQXNCLFMWRQM-UHFFFAOYSA-N 0 3 259.397 3.436 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(OC)c(OC)cc1Cl ZINC000631074501 350944149 /nfs/dbraw/zinc/94/41/49/350944149.db2.gz BLFOZCFYEQFJHF-SNVBAGLBSA-N 0 3 269.772 3.411 20 30 CGEDHN C=CCCOCCNCc1ccccc1CC(F)(F)F ZINC000631102519 350954555 /nfs/dbraw/zinc/95/45/55/350954555.db2.gz WIEUIEBDGLYQQV-UHFFFAOYSA-N 0 3 287.325 3.474 20 30 CGEDHN N#CC(C(=O)c1cccnc1)c1ccc2ccccc2n1 ZINC000631470619 351046867 /nfs/dbraw/zinc/04/68/67/351046867.db2.gz RUVUVQYKJQNRBD-CQSZACIVSA-N 0 3 273.295 3.120 20 30 CGEDHN Cc1nc(NC[C@@H](c2ccco2)N2CCCC2)ccc1C#N ZINC000291699151 198062726 /nfs/dbraw/zinc/06/27/26/198062726.db2.gz UDYZLYLJVWZOMA-HNNXBMFYSA-N 0 3 296.374 3.104 20 30 CGEDHN COc1cc(CN2CC3(CCC3)[C@H]2C2CC2)ccc1C#N ZINC000291712591 198067900 /nfs/dbraw/zinc/06/79/00/198067900.db2.gz ZZXYWPNXLSCIKV-QGZVFWFLSA-N 0 3 282.387 3.331 20 30 CGEDHN Cc1nc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1C#N ZINC000291900738 198100400 /nfs/dbraw/zinc/10/04/00/198100400.db2.gz KDGMIFDPVNEHHQ-FUHWJXTLSA-N 0 3 292.386 3.119 20 30 CGEDHN N#Cc1ccc(CNC2CC(OCc3ccccc3)C2)s1 ZINC000364924998 234069897 /nfs/dbraw/zinc/06/98/97/234069897.db2.gz SKGVRQVQFIVUOS-UHFFFAOYSA-N 0 3 298.411 3.457 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCCOC(C)(C)C1 ZINC000365412197 234101398 /nfs/dbraw/zinc/10/13/98/234101398.db2.gz MCRHPYZVTYXWNV-CYBMUJFWSA-N 0 3 258.365 3.120 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000292120422 198171220 /nfs/dbraw/zinc/17/12/20/198171220.db2.gz AJHIBRUFNPILSN-CYBMUJFWSA-N 0 3 278.396 3.272 20 30 CGEDHN C[C@@H](NCc1cccc(N(C)C)c1)c1cccc(C#N)c1 ZINC000271757649 191309094 /nfs/dbraw/zinc/30/90/94/191309094.db2.gz ADKLRIIWHXBBAN-CQSZACIVSA-N 0 3 279.387 3.475 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3ccc(O)cc32)C1 ZINC000332058481 283067378 /nfs/dbraw/zinc/06/73/78/283067378.db2.gz OUPHIBADXDXIIO-GHJWDPDVSA-N 0 3 256.349 3.051 20 30 CGEDHN CO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C12CCC2 ZINC000414169116 235352368 /nfs/dbraw/zinc/35/23/68/235352368.db2.gz AYAPUILQPRZOBG-IUIKQTSFSA-N 0 3 288.366 3.306 20 30 CGEDHN COC1([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000414294993 235381766 /nfs/dbraw/zinc/38/17/66/235381766.db2.gz CUNDQYKCFMLRIB-VXGBXAGGSA-N 0 3 276.355 3.306 20 30 CGEDHN C=CCOc1cccc(CN2CCC(CCCO)CC2)c1 ZINC000272984961 192007511 /nfs/dbraw/zinc/00/75/11/192007511.db2.gz VNTHIYWKPAGDIX-UHFFFAOYSA-N 0 3 289.419 3.236 20 30 CGEDHN N#Cc1ccc(CN2CCSC[C@@H]2C2CCC2)cc1 ZINC000418122792 283141940 /nfs/dbraw/zinc/14/19/40/283141940.db2.gz FPKDKBPWINDCSI-MRXNPFEDSA-N 0 3 272.417 3.276 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3c(c2)OCCCO3)cc1 ZINC000079720646 283146400 /nfs/dbraw/zinc/14/64/00/283146400.db2.gz CKWAJQCGNVYCTC-UHFFFAOYSA-N 0 3 294.354 3.009 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000133380734 283206467 /nfs/dbraw/zinc/20/64/67/283206467.db2.gz HKSUZEMJRBQFCN-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN C[C@@H](CNc1c(F)cc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000109810164 138362371 /nfs/dbraw/zinc/36/23/71/138362371.db2.gz WLZFPUXNKDOYLK-RYUDHWBXSA-N 0 3 293.361 3.369 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1F ZINC000336264855 213102434 /nfs/dbraw/zinc/10/24/34/213102434.db2.gz QUUUHMGGZXOZPQ-QGZVFWFLSA-N 0 3 295.361 3.472 20 30 CGEDHN C[C@@H](O)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000298141647 200343479 /nfs/dbraw/zinc/34/34/79/200343479.db2.gz LPLYDQYWADGKQT-CQSZACIVSA-N 0 3 280.371 3.038 20 30 CGEDHN N#Cc1ccc(CNCCCOc2ccc(F)cc2)s1 ZINC000176958522 189016802 /nfs/dbraw/zinc/01/68/02/189016802.db2.gz CYKDMZNPIURGMQ-UHFFFAOYSA-N 0 3 290.363 3.318 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000176953625 189016905 /nfs/dbraw/zinc/01/69/05/189016905.db2.gz SLGGYCKSWCUALN-OAHLLOKOSA-N 0 3 272.373 3.097 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000177742162 189066867 /nfs/dbraw/zinc/06/68/67/189066867.db2.gz GGUNOAMDRVQGHR-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN CC1(C)C[C@H](NCc2ccc(C#N)cc2F)C(C)(C)O1 ZINC000177860818 189074968 /nfs/dbraw/zinc/07/49/68/189074968.db2.gz OQIOQXZRNVDOLH-AWEZNQCLSA-N 0 3 276.355 3.133 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c(F)c1 ZINC000178792963 189146617 /nfs/dbraw/zinc/14/66/17/189146617.db2.gz UDAZGWDPMXRABA-MSOLQXFVSA-N 0 3 296.345 3.317 20 30 CGEDHN CS[C@H]1CCCCN(Cc2cccc(C#N)c2)C1 ZINC000179112072 189170573 /nfs/dbraw/zinc/17/05/73/189170573.db2.gz DDGDOXCCIUKIPJ-HNNXBMFYSA-N 0 3 260.406 3.276 20 30 CGEDHN N#Cc1cccnc1NCCN1CCC2(CCCCC2)CC1 ZINC000440653642 238335194 /nfs/dbraw/zinc/33/51/94/238335194.db2.gz WLXHJKLWIIMZDP-UHFFFAOYSA-N 0 3 298.434 3.411 20 30 CGEDHN C[C@@H](NCCN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000181557156 189300195 /nfs/dbraw/zinc/30/01/95/189300195.db2.gz NUCBYRIVFULZET-MRXNPFEDSA-N 0 3 293.414 3.341 20 30 CGEDHN C[C@H]1CCCN(CCNc2c(C#N)cnc3ccccc32)C1 ZINC000301508956 201036577 /nfs/dbraw/zinc/03/65/77/201036577.db2.gz HWQVRPOXAXYEOS-AWEZNQCLSA-N 0 3 294.402 3.250 20 30 CGEDHN CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000183064266 189344842 /nfs/dbraw/zinc/34/48/42/189344842.db2.gz IVOKBIXIMZVLFN-USWWRNFRSA-N 0 3 291.395 3.119 20 30 CGEDHN CC[C@H](C)[C@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000183062918 189345352 /nfs/dbraw/zinc/34/53/52/189345352.db2.gz ZVGMCHZPZWXTMZ-ONGXEEELSA-N 0 3 293.436 3.199 20 30 CGEDHN Cc1csc([C@H](C)CNCc2ccc(C#N)s2)n1 ZINC000184115375 189376563 /nfs/dbraw/zinc/37/65/63/189376563.db2.gz HPULRGWQGILGKD-SECBINFHSA-N 0 3 277.418 3.278 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000184280548 189381827 /nfs/dbraw/zinc/38/18/27/189381827.db2.gz GMTKYVBXSAPGPF-NSHDSACASA-N 0 3 293.313 3.251 20 30 CGEDHN CC[C@H](c1ccncc1)N(C)CCCSCC#N ZINC000119815064 370711963 /nfs/dbraw/zinc/71/19/63/370711963.db2.gz CSXQQKYJIBMFOG-CQSZACIVSA-N 0 3 263.410 3.111 20 30 CGEDHN CC1(C)CCCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000119883362 370719071 /nfs/dbraw/zinc/71/90/71/370719071.db2.gz PTDBIZIOIHYSGF-OAHLLOKOSA-N 0 3 285.391 3.055 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000450661646 240022244 /nfs/dbraw/zinc/02/22/44/240022244.db2.gz FYKQUBUZVGMPJF-BEFAXECRSA-N 0 3 294.398 3.467 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000120666888 370789774 /nfs/dbraw/zinc/78/97/74/370789774.db2.gz XEPIMVTVGZXSGL-GOSISDBHSA-N 0 3 287.403 3.418 20 30 CGEDHN C=CCC[C@H](O)CN(CC=C)Cc1cccs1 ZINC000121317010 370850638 /nfs/dbraw/zinc/85/06/38/370850638.db2.gz CFEGUOKXQOAADL-ZDUSSCGKSA-N 0 3 251.395 3.063 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@@H](C)CCSC ZINC000121431666 370861573 /nfs/dbraw/zinc/86/15/73/370861573.db2.gz MVMYJFCTZPRTDA-LBPRGKRZSA-N 0 3 278.421 3.140 20 30 CGEDHN CCCC[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000460347502 242265266 /nfs/dbraw/zinc/26/52/66/242265266.db2.gz MOJMJJIMUNMFSP-NVXWUHKLSA-N 0 3 299.418 3.445 20 30 CGEDHN Cc1cc(CCNCc2ccc(C#N)o2)ccc1Cl ZINC000462902803 242374081 /nfs/dbraw/zinc/37/40/81/242374081.db2.gz MBDSXDOMAAEUEW-UHFFFAOYSA-N 0 3 274.751 3.445 20 30 CGEDHN CC(C)(C)[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000483239475 243268109 /nfs/dbraw/zinc/26/81/09/243268109.db2.gz XUQKQZDCGPDVPT-HNNXBMFYSA-N 0 3 299.418 3.255 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCC3)n1 ZINC000041519408 369189523 /nfs/dbraw/zinc/18/95/23/369189523.db2.gz PKAITJWPVCUFGH-CQSZACIVSA-N 0 3 282.368 3.430 20 30 CGEDHN CCCCCN(CC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000042253351 369209249 /nfs/dbraw/zinc/20/92/49/369209249.db2.gz MYVLAHTWHAOZJK-UHFFFAOYSA-N 0 3 287.407 3.397 20 30 CGEDHN C[C@@H]1c2ccsc2CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000042764615 369230534 /nfs/dbraw/zinc/23/05/34/369230534.db2.gz BDNPMWQLEDASSR-WBMJQRKESA-N 0 3 298.411 3.272 20 30 CGEDHN C[C@@H](NC[C@H](O)C1CCCCC1)c1ccc(C#N)cc1F ZINC000330777797 203223500 /nfs/dbraw/zinc/22/35/00/203223500.db2.gz ASWHOEBKYJQLOG-PXAZEXFGSA-N 0 3 290.382 3.289 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cncc(C)c1 ZINC000276118853 193217641 /nfs/dbraw/zinc/21/76/41/193217641.db2.gz YKHFNFVFQLMPLQ-UHFFFAOYSA-N 0 3 256.349 3.214 20 30 CGEDHN C=CCCN(C)Cc1cnc(C)n1-c1ccccc1 ZINC000276144380 193225460 /nfs/dbraw/zinc/22/54/60/193225460.db2.gz NWPOMMUQBYZQSL-UHFFFAOYSA-N 0 3 255.365 3.189 20 30 CGEDHN N#CC1(C(=O)Nc2cccc(CN3CCCCC3)c2)CCC1 ZINC000129365891 370984630 /nfs/dbraw/zinc/98/46/30/370984630.db2.gz VZKQZILRSYBYJJ-UHFFFAOYSA-N 0 3 297.402 3.305 20 30 CGEDHN C=CCC[C@@H](NCC[S@](=O)C(C)(C)C)c1ccco1 ZINC000276436086 193330745 /nfs/dbraw/zinc/33/07/45/193330745.db2.gz JNQRYPCQBIBUIG-YJYMSZOUSA-N 0 3 283.437 3.424 20 30 CGEDHN C=CCC[C@H](NCCCn1ccnc1)c1ccco1 ZINC000276475760 193346588 /nfs/dbraw/zinc/34/65/88/193346588.db2.gz QPHVPWDCCLRYOY-AWEZNQCLSA-N 0 3 259.353 3.163 20 30 CGEDHN N#Cc1cccnc1NC[C@H](c1cccs1)N1CCCC1 ZINC000067948668 369736954 /nfs/dbraw/zinc/73/69/54/369736954.db2.gz LQXBXDPLJAOYJH-CQSZACIVSA-N 0 3 298.415 3.264 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cccn1C ZINC000092505714 370097880 /nfs/dbraw/zinc/09/78/80/370097880.db2.gz YYQNOMFLAOKLFB-UHFFFAOYSA-N 0 3 254.377 3.256 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCCSCC1 ZINC000089983547 370053549 /nfs/dbraw/zinc/05/35/49/370053549.db2.gz SEWVZZXUDZYTRC-UHFFFAOYSA-N 0 3 274.433 3.427 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](COC)C1 ZINC000093337697 370119157 /nfs/dbraw/zinc/11/91/57/370119157.db2.gz LIRFSUVYKJYIBS-OAHLLOKOSA-N 0 3 275.392 3.110 20 30 CGEDHN C=CC1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000093359174 370119204 /nfs/dbraw/zinc/11/92/04/370119204.db2.gz RUQLRWFMRMVSAZ-UHFFFAOYSA-N 0 3 271.364 3.376 20 30 CGEDHN C=C(C)COc1cc(CN(C)CCSC)ccc1OC ZINC000093509701 370138682 /nfs/dbraw/zinc/13/86/82/370138682.db2.gz LDKQIKSFDMWPIC-UHFFFAOYSA-N 0 3 295.448 3.445 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)cs2)C1(C)C ZINC000093605413 370146477 /nfs/dbraw/zinc/14/64/77/370146477.db2.gz OHRFGJFCWDDKJE-ZIAGYGMSSA-N 0 3 278.421 3.255 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCCC ZINC000097056388 370221000 /nfs/dbraw/zinc/22/10/00/370221000.db2.gz WMIIAKOTCHPNBH-AWEZNQCLSA-N 0 3 294.464 3.383 20 30 CGEDHN Cc1nc(C)c([C@H](C)N(C)CCCCC#N)s1 ZINC000106878872 370354286 /nfs/dbraw/zinc/35/42/86/370354286.db2.gz IILUWHUYAOEETL-NSHDSACASA-N 0 3 251.399 3.447 20 30 CGEDHN N#Cc1c(Cl)cccc1N1CC[C@H](N2CCCCC2)C1 ZINC000110258993 370375020 /nfs/dbraw/zinc/37/50/20/370375020.db2.gz ZCQZHGTVUZPGFO-ZDUSSCGKSA-N 0 3 289.810 3.276 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H]2CCSC2)cc1 ZINC000130485859 371037923 /nfs/dbraw/zinc/03/79/23/371037923.db2.gz GROSMNQHPBJPCJ-AWEZNQCLSA-N 0 3 263.406 3.189 20 30 CGEDHN CC[C@@H](C)CN(CC)Cc1cc(C#N)ccc1OC ZINC000130484505 371038574 /nfs/dbraw/zinc/03/85/74/371038574.db2.gz GJMLZASXDLAPKE-CYBMUJFWSA-N 0 3 260.381 3.435 20 30 CGEDHN C[C@H](C[C@H](O)c1cccs1)NCc1ccc(C#N)s1 ZINC000131134447 371085740 /nfs/dbraw/zinc/08/57/40/371085740.db2.gz JREMSVPVMTVZAL-MFKMUULPSA-N 0 3 292.429 3.283 20 30 CGEDHN Cc1ccc(NCc2ccc(C#N)o2)c(CN(C)C)c1 ZINC000132629646 371189708 /nfs/dbraw/zinc/18/97/08/371189708.db2.gz ZHWPWVISKZHLGS-UHFFFAOYSA-N 0 3 269.348 3.133 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H](SC)C1 ZINC000134610135 371354565 /nfs/dbraw/zinc/35/45/65/371354565.db2.gz HVRIUILYFRFVAA-OAHLLOKOSA-N 0 3 290.432 3.284 20 30 CGEDHN C[C@@H](CCNCc1ccc(C#N)o1)c1ccccc1 ZINC000135169401 371397266 /nfs/dbraw/zinc/39/72/66/371397266.db2.gz LKHZPLJMXUVABF-ZDUSSCGKSA-N 0 3 254.333 3.435 20 30 CGEDHN CCOCCN(CC)Cc1ccccc1C(C)(C)C#N ZINC000135206130 371399954 /nfs/dbraw/zinc/39/99/54/371399954.db2.gz UOTDGCJYJKBGQS-UHFFFAOYSA-N 0 3 274.408 3.346 20 30 CGEDHN COCc1ccccc1CNCc1ccc(C#N)s1 ZINC000135674899 371442919 /nfs/dbraw/zinc/44/29/19/371442919.db2.gz DHEBRNJJPGXKKV-UHFFFAOYSA-N 0 3 272.373 3.056 20 30 CGEDHN C#CCCCCNCc1nc2ccccc2n1CCC ZINC000150734358 371534681 /nfs/dbraw/zinc/53/46/81/371534681.db2.gz MYYCJHNWLNPKIG-UHFFFAOYSA-N 0 3 269.392 3.339 20 30 CGEDHN N#Cc1ccnc(NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000286715040 371543495 /nfs/dbraw/zinc/54/34/95/371543495.db2.gz CSQSOICOXHCYPD-QGZVFWFLSA-N 0 3 292.386 3.202 20 30 CGEDHN Cc1cc(C)c(C#N)c(N2CCN(C3CCCCC3)CC2)n1 ZINC000152442383 371696237 /nfs/dbraw/zinc/69/62/37/371696237.db2.gz ORFATGPVTUQMDG-UHFFFAOYSA-N 0 3 298.434 3.025 20 30 CGEDHN COC1([C@H](C)NCc2ccc(C#N)s2)CCCCC1 ZINC000421881269 371696773 /nfs/dbraw/zinc/69/67/73/371696773.db2.gz OYGVUFAYLBDSDO-LBPRGKRZSA-N 0 3 278.421 3.447 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CC=CCC1 ZINC000344066541 217035181 /nfs/dbraw/zinc/03/51/81/217035181.db2.gz PLYLSMKEAQYELS-CABCVRRESA-N 0 3 297.402 3.173 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(OCC(=C)C)c1 ZINC000154761882 371877332 /nfs/dbraw/zinc/87/73/32/371877332.db2.gz NLZNAUOBHYKKMP-UHFFFAOYSA-N 0 3 261.365 3.268 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)CC1CCOCC1 ZINC000155703935 371940388 /nfs/dbraw/zinc/94/03/88/371940388.db2.gz QSJVBIMLWXYOQW-UHFFFAOYSA-N 0 3 277.795 3.050 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)o1 ZINC000155061766 371901443 /nfs/dbraw/zinc/90/14/43/371901443.db2.gz QQGLJCSNSUDRSX-CQSZACIVSA-N 0 3 252.317 3.141 20 30 CGEDHN C=CC[C@H]1N(Cc2cnc(N(C)C)n2C)CCCC1(C)C ZINC000425337727 372122650 /nfs/dbraw/zinc/12/26/50/372122650.db2.gz NRBANSYHPWOOCJ-OAHLLOKOSA-N 0 3 290.455 3.053 20 30 CGEDHN C#Cc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000290934824 372077583 /nfs/dbraw/zinc/07/75/83/372077583.db2.gz PFXGBGIRJYJTGI-MSOLQXFVSA-N 0 3 281.399 3.201 20 30 CGEDHN C[C@@H](Cc1cccc(O)c1)NCc1ccc(C#N)cc1F ZINC000344205948 217098024 /nfs/dbraw/zinc/09/80/24/217098024.db2.gz DBBFYNFIXUKAGG-LBPRGKRZSA-N 0 3 284.334 3.124 20 30 CGEDHN C=C(C)CN(CC)Cc1cccc(OCCCOC)c1 ZINC000159014205 372099342 /nfs/dbraw/zinc/09/93/42/372099342.db2.gz ZGBHAPUTEXYZRZ-UHFFFAOYSA-N 0 3 277.408 3.500 20 30 CGEDHN C=CCN(C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000428380135 372186820 /nfs/dbraw/zinc/18/68/20/372186820.db2.gz YHQPAUYKZJQDHP-UHFFFAOYSA-N 0 3 289.297 3.254 20 30 CGEDHN C=CC[C@H]1N(Cc2n[nH]c(C(C)C)n2)CCCC1(C)C ZINC000428976702 372294241 /nfs/dbraw/zinc/29/42/41/372294241.db2.gz JQYMTZIOIFQGHI-CYBMUJFWSA-N 0 3 276.428 3.495 20 30 CGEDHN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000344301951 217140345 /nfs/dbraw/zinc/14/03/45/217140345.db2.gz VGZKZIXJOFIMLR-WFASDCNBSA-N 0 3 286.400 3.312 20 30 CGEDHN CC(C)[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCCO1 ZINC000293158660 372313940 /nfs/dbraw/zinc/31/39/40/372313940.db2.gz ORPTVGJFVYCLMY-WMLDXEAASA-N 0 3 272.392 3.366 20 30 CGEDHN N#Cc1csc(CNCCc2ccc(F)c(F)c2F)c1 ZINC000344331395 217153964 /nfs/dbraw/zinc/15/39/64/217153964.db2.gz XDFSAEBOVYJTOI-UHFFFAOYSA-N 0 3 296.317 3.369 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H]1CCc2ccc(F)cc21 ZINC000429719435 372377490 /nfs/dbraw/zinc/37/74/90/372377490.db2.gz CARDESQCJIZNGV-KRWDZBQOSA-N 0 3 276.399 3.253 20 30 CGEDHN Cn1cccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430623620 372391966 /nfs/dbraw/zinc/39/19/66/372391966.db2.gz HMESWKGJFFERBR-SNVBAGLBSA-N 0 3 287.388 3.269 20 30 CGEDHN C=CCOCCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000294022812 372558105 /nfs/dbraw/zinc/55/81/05/372558105.db2.gz HPAYTGVHBCJZDW-CABCVRRESA-N 0 3 299.773 3.101 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N(CC(F)F)C1CC1 ZINC000433351896 372597972 /nfs/dbraw/zinc/59/79/72/372597972.db2.gz GYQHFGWNEUTADP-ZDUSSCGKSA-N 0 3 292.329 3.015 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](CCC)OC)cc1OC ZINC000295175891 372696757 /nfs/dbraw/zinc/69/67/57/372696757.db2.gz VBFAAFYFFBQPMX-HNNXBMFYSA-N 0 3 293.407 3.165 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000294819733 372672504 /nfs/dbraw/zinc/67/25/04/372672504.db2.gz QJLUSVFFSNQFGS-INIZCTEOSA-N 0 3 291.391 3.107 20 30 CGEDHN C#CCCOc1ccc(CN2CC[C@H](SC)C2)cc1 ZINC000294951633 372682853 /nfs/dbraw/zinc/68/28/53/372682853.db2.gz DAVAWBYMRLHLDJ-INIZCTEOSA-N 0 3 275.417 3.026 20 30 CGEDHN C#CCN(C)CCCN[C@@H](C)c1csc(Cl)c1 ZINC000295004308 372685965 /nfs/dbraw/zinc/68/59/65/372685965.db2.gz MFXIRGWCWXLXOY-NSHDSACASA-N 0 3 270.829 3.007 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](SC)C2)cc1OC ZINC000295124259 372694907 /nfs/dbraw/zinc/69/49/07/372694907.db2.gz XBIUPYIMLVHDKQ-AWEZNQCLSA-N 0 3 293.432 3.197 20 30 CGEDHN Cc1c(C)c(C)c(CNC(=O)C(C)C#N)c(C)c1C ZINC000435695575 372795346 /nfs/dbraw/zinc/79/53/46/372795346.db2.gz NURYSJIDNIJJCY-SECBINFHSA-N 0 3 258.365 3.005 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@H]3CCC[C@H]32)cc1 ZINC000438175075 372904069 /nfs/dbraw/zinc/90/40/69/372904069.db2.gz OFNVZVYYTXYVSL-NVXWUHKLSA-N 0 3 257.352 3.442 20 30 CGEDHN CC1(C)CCC[C@](O)(CNCc2cc(C#N)cs2)C1 ZINC000438366829 372943777 /nfs/dbraw/zinc/94/37/77/372943777.db2.gz XWMKVAOBMZXJLC-OAHLLOKOSA-N 0 3 278.421 3.041 20 30 CGEDHN C=CCCCN1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000441123763 372998297 /nfs/dbraw/zinc/99/82/97/372998297.db2.gz KIYKPUXCTXZSCD-INIZCTEOSA-N 0 3 273.376 3.115 20 30 CGEDHN CCc1cnc(CCNCc2ccc(C#N)cc2F)s1 ZINC000344767142 217303785 /nfs/dbraw/zinc/30/37/85/217303785.db2.gz QXXBYURYPGOZED-UHFFFAOYSA-N 0 3 289.379 3.049 20 30 CGEDHN N#Cc1ccc([C@@H](O)CN2CC(C3CCCCC3)C2)cc1 ZINC000296148025 373036897 /nfs/dbraw/zinc/03/68/97/373036897.db2.gz MPOCUFPQCBPBTD-SFHVURJKSA-N 0 3 284.403 3.104 20 30 CGEDHN CC(C)N(C)c1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442879870 373116409 /nfs/dbraw/zinc/11/64/09/373116409.db2.gz WPSVNDXYFGOWBG-ZBFHGGJFSA-N 0 3 271.408 3.313 20 30 CGEDHN CSc1ccc(F)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442789273 373082520 /nfs/dbraw/zinc/08/25/20/373082520.db2.gz JUSWQZNSJIKEFT-MFKMUULPSA-N 0 3 264.369 3.329 20 30 CGEDHN CCCNc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442865811 373108934 /nfs/dbraw/zinc/10/89/34/373108934.db2.gz UVTCXRIQKSDUBY-HOCLYGCPSA-N 0 3 257.381 3.290 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(N[C@H]3CC[C@@H](C#N)C3)cccc21 ZINC000443063799 373148410 /nfs/dbraw/zinc/14/84/10/373148410.db2.gz NUWOWXPPDHJSHP-DVOMOZLQSA-N 0 3 285.391 3.176 20 30 CGEDHN COC(=O)C1(N(C)CCCCC(C)(C)C#N)CCCC1 ZINC000444664218 373224734 /nfs/dbraw/zinc/22/47/34/373224734.db2.gz LYIRWITUHALBMU-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN CCN(CCCNCc1ccc(C#N)o1)c1ccccc1 ZINC000174248998 373273678 /nfs/dbraw/zinc/27/36/78/373273678.db2.gz GZXSZQYRCMFVCP-UHFFFAOYSA-N 0 3 283.375 3.157 20 30 CGEDHN CC(C)(C#N)CCCCN[C@@H](CO)c1cccc(F)c1 ZINC000444691377 373238971 /nfs/dbraw/zinc/23/89/71/373238971.db2.gz YILFAEVDJSICDF-HNNXBMFYSA-N 0 3 278.371 3.169 20 30 CGEDHN C=CCN1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000297257322 373263445 /nfs/dbraw/zinc/26/34/45/373263445.db2.gz VRWODAIYOWCCIK-UHFFFAOYSA-N 0 3 275.783 3.274 20 30 CGEDHN C[C@H](NCCC(=O)Nc1ccccc1C#N)c1cccs1 ZINC000298805876 373410906 /nfs/dbraw/zinc/41/09/06/373410906.db2.gz FDPHWZDWMCOOKE-LBPRGKRZSA-N 0 3 299.399 3.299 20 30 CGEDHN C=CCN(CCc1ccco1)[C@@H](C)c1ccccn1 ZINC000299167003 373476109 /nfs/dbraw/zinc/47/61/09/373476109.db2.gz XVYYKQAFOFRSLY-AWEZNQCLSA-N 0 3 256.349 3.466 20 30 CGEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000447393232 373432800 /nfs/dbraw/zinc/43/28/00/373432800.db2.gz DFYYHSXCHOGSOL-AWEZNQCLSA-N 0 3 299.418 3.397 20 30 CGEDHN CN1CCCC(C)(C)[C@H]1CNc1cccc(F)c1C#N ZINC000447809617 373493761 /nfs/dbraw/zinc/49/37/61/373493761.db2.gz AYZIFFPJHUTYBC-OAHLLOKOSA-N 0 3 275.371 3.230 20 30 CGEDHN CN1CCCC(C)(C)[C@H]1CNc1ccc(C#N)cc1F ZINC000447806095 373494108 /nfs/dbraw/zinc/49/41/08/373494108.db2.gz LXSUCBLMEYLQFM-OAHLLOKOSA-N 0 3 275.371 3.230 20 30 CGEDHN CC(C)(C)[C@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000447833646 373503592 /nfs/dbraw/zinc/50/35/92/373503592.db2.gz IZBNMUKVWBSEDT-CQSZACIVSA-N 0 3 266.429 3.453 20 30 CGEDHN C=CC(C)(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000448902049 373647511 /nfs/dbraw/zinc/64/75/11/373647511.db2.gz YOHZIJFBOSCFJP-CQSZACIVSA-N 0 3 288.435 3.444 20 30 CGEDHN Cc1cccc(CN2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000301083722 373653100 /nfs/dbraw/zinc/65/31/00/373653100.db2.gz KOPKESXLXXPAHE-UHFFFAOYSA-N 0 3 291.398 3.189 20 30 CGEDHN C=CCCN(C)Cc1ccc2c(c1)OCCCCO2 ZINC000449267712 373674740 /nfs/dbraw/zinc/67/47/40/373674740.db2.gz BCZIPRVLZBFZDL-UHFFFAOYSA-N 0 3 261.365 3.246 20 30 CGEDHN CC[C@H](C)c1nnc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000449284873 373677774 /nfs/dbraw/zinc/67/77/74/373677774.db2.gz PMNLZSQJLRHVPF-HSWOEZIZSA-N 0 3 289.427 3.441 20 30 CGEDHN CC[C@H](C)c1nnc([C@H](C)NC2CCC(C)(C#N)CC2)[nH]1 ZINC000449284873 373677779 /nfs/dbraw/zinc/67/77/79/373677779.db2.gz PMNLZSQJLRHVPF-HSWOEZIZSA-N 0 3 289.427 3.441 20 30 CGEDHN C=CCc1cc(CNC/C=C\CC)cc(OC)c1O ZINC000449454833 373740656 /nfs/dbraw/zinc/74/06/56/373740656.db2.gz KHOZDKVSMCCCLO-SREVYHEPSA-N 0 3 261.365 3.185 20 30 CGEDHN C=C(C)CCNCc1cn2ccc(Br)cc2n1 ZINC000449476990 373763706 /nfs/dbraw/zinc/76/37/06/373763706.db2.gz OERQTDGMYRZULM-UHFFFAOYSA-N 0 3 294.196 3.153 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000449519135 373817761 /nfs/dbraw/zinc/81/77/61/373817761.db2.gz LPYYZHFNIPEQLM-MSOLQXFVSA-N 0 3 280.371 3.182 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NC/C=C\c1ccc(F)cc1F ZINC000449549452 373831526 /nfs/dbraw/zinc/83/15/26/373831526.db2.gz YBYSUCQGLCUBBZ-OZXVRYSVSA-N 0 3 279.330 3.301 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](OCC)[C@@H](C)C1 ZINC000449491784 373780718 /nfs/dbraw/zinc/78/07/18/373780718.db2.gz HYDSXQLHGAMMLJ-DOTOQJQBSA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](OCC)[C@@H](C)C1 ZINC000449491786 373782330 /nfs/dbraw/zinc/78/23/30/373782330.db2.gz HYDSXQLHGAMMLJ-RDJZCZTQSA-N 0 3 289.419 3.498 20 30 CGEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000491266729 261394578 /nfs/dbraw/zinc/39/45/78/261394578.db2.gz QHHBFGBTPVTJRR-OCCSQVGLSA-N 0 3 292.810 3.367 20 30 CGEDHN C=C(CC)CNCc1cn(C)nc1-c1cccs1 ZINC000449732207 373858591 /nfs/dbraw/zinc/85/85/91/373858591.db2.gz ABMPMJBTINTSGY-UHFFFAOYSA-N 0 3 261.394 3.204 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(C3CCCC3)C2)CCCC1 ZINC000449847149 373943383 /nfs/dbraw/zinc/94/33/83/373943383.db2.gz DOTBJQSYXYTLBJ-HNNXBMFYSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000179790203 373917014 /nfs/dbraw/zinc/91/70/14/373917014.db2.gz UYTSPJANTSGQGI-CQSZACIVSA-N 0 3 274.408 3.223 20 30 CGEDHN C[C@@H](NCC1(O)CCCCC1)c1ccc(C#N)cc1F ZINC000305807570 374114332 /nfs/dbraw/zinc/11/43/32/374114332.db2.gz HFKSXLIDVOHEOZ-GFCCVEGCSA-N 0 3 276.355 3.043 20 30 CGEDHN C[C@H](NC[C@]1(C)CCCC[C@H]1O)c1ccc(C#N)cc1F ZINC000305807929 374114542 /nfs/dbraw/zinc/11/45/42/374114542.db2.gz HKSUTBRDUVINPV-VUCTXSBTSA-N 0 3 290.382 3.289 20 30 CGEDHN Cc1csc([C@@H](NCCCSCC#N)C2CC2)n1 ZINC000181591408 374144724 /nfs/dbraw/zinc/14/47/24/374144724.db2.gz UFNGMMSBZAXOEC-LBPRGKRZSA-N 0 3 281.450 3.139 20 30 CGEDHN C=CCN(CCCC(=O)c1ccc(F)cc1)C1CC1 ZINC000450639400 374166358 /nfs/dbraw/zinc/16/63/58/374166358.db2.gz AQVGNDZGVQOMLO-UHFFFAOYSA-N 0 3 261.340 3.439 20 30 CGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1cccc(C#N)c1 ZINC000182031459 374206958 /nfs/dbraw/zinc/20/69/58/374206958.db2.gz QOTUXRCCHWFGBB-IBGZPJMESA-N 0 3 294.398 3.248 20 30 CGEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000452106939 374238952 /nfs/dbraw/zinc/23/89/52/374238952.db2.gz RPJPEXZTKPDSBY-CYBMUJFWSA-N 0 3 292.810 3.460 20 30 CGEDHN C[C@@H](CN(C)Cc1cc(C#N)cs1)c1nccs1 ZINC000183259666 374393876 /nfs/dbraw/zinc/39/38/76/374393876.db2.gz OOPSBTWQQJQPOX-JTQLQIEISA-N 0 3 277.418 3.312 20 30 CGEDHN C=CCOc1cccc(CN(C)[C@H](C)CC(=O)OCC)c1 ZINC000183186720 374383057 /nfs/dbraw/zinc/38/30/57/374383057.db2.gz KWVCZQAVXRCOOX-CQSZACIVSA-N 0 3 291.391 3.025 20 30 CGEDHN C=C(C)CN1CCC(NCc2ncc(C(C)C)s2)CC1 ZINC000183737971 374449693 /nfs/dbraw/zinc/44/96/93/374449693.db2.gz QGEAVLQAYJCSGF-UHFFFAOYSA-N 0 3 293.480 3.397 20 30 CGEDHN CCC(C)(C)N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000330968966 374492390 /nfs/dbraw/zinc/49/23/90/374492390.db2.gz FKDZHRUDCBBDCO-UHFFFAOYSA-N 0 3 293.436 3.296 20 30 CGEDHN Cc1cc(CNC2(C(N)=O)CCCCC2)ccc1C#N ZINC000331102926 374504361 /nfs/dbraw/zinc/50/43/61/374504361.db2.gz GUTMGYLXLWSUTJ-UHFFFAOYSA-N 0 3 271.364 3.194 20 30 CGEDHN C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C1 ZINC000332143677 374557099 /nfs/dbraw/zinc/55/70/99/374557099.db2.gz MXVKLNCIXPTKQW-LBPRGKRZSA-N 0 3 296.374 3.229 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCC[C@H](C)C1 ZINC000185261469 374623370 /nfs/dbraw/zinc/62/33/70/374623370.db2.gz HEEJIYMDXTXATD-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN CC(C)(C)Oc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000185893007 374761794 /nfs/dbraw/zinc/76/17/94/374761794.db2.gz SVSHLDRQRWMTQD-DZGCQCFKSA-N 0 3 287.407 3.431 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185814627 374743203 /nfs/dbraw/zinc/74/32/03/374743203.db2.gz HYZVCTOBYYJDLF-TZMCWYRMSA-N 0 3 276.355 3.396 20 30 CGEDHN C=CCCCCCN1CCN(c2cncc(F)c2)CC1 ZINC000574552110 335029177 /nfs/dbraw/zinc/02/91/77/335029177.db2.gz RCQIAESHAXSOQO-UHFFFAOYSA-N 0 3 277.387 3.089 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000186700409 374902238 /nfs/dbraw/zinc/90/22/38/374902238.db2.gz QWWUUSPWZUKUNO-DZGCQCFKSA-N 0 3 293.407 3.072 20 30 CGEDHN C=CCCOCCNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186403286 374844077 /nfs/dbraw/zinc/84/40/77/374844077.db2.gz ZRMHMXQXYWQLNV-UHFFFAOYSA-N 0 3 291.391 3.014 20 30 CGEDHN C[C@H](NCc1ccc(Cl)cc1C#N)C1CCOCC1 ZINC000187432637 375020813 /nfs/dbraw/zinc/02/08/13/375020813.db2.gz NVMGAVBVGYNWSI-NSHDSACASA-N 0 3 278.783 3.116 20 30 CGEDHN C#CCOc1ccccc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000188272711 375188401 /nfs/dbraw/zinc/18/84/01/375188401.db2.gz FTYOKNXKJAABFZ-SFHVURJKSA-N 0 3 299.414 3.090 20 30 CGEDHN C=CCCOCCNCc1ccc2c(c1)CCCC2 ZINC000491322358 375326064 /nfs/dbraw/zinc/32/60/64/375326064.db2.gz KZJZSMRKMMNVBK-UHFFFAOYSA-N 0 3 259.393 3.248 20 30 CGEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335382326 375268011 /nfs/dbraw/zinc/26/80/11/375268011.db2.gz YRTFJOYFJXQFIV-RHSMWYFYSA-N 0 3 288.366 3.088 20 30 CGEDHN N#CC1(CCN2C[C@@H]3C[C@H]2CS3)CCCCC1 ZINC000335645796 375337557 /nfs/dbraw/zinc/33/75/57/375337557.db2.gz WBFKVWAFOZCUKH-STQMWFEESA-N 0 3 250.411 3.040 20 30 CGEDHN CC(C)C1(C)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000189948436 375461675 /nfs/dbraw/zinc/46/16/75/375461675.db2.gz NIIDKWUYTBBGLX-UHFFFAOYSA-N 0 3 296.418 3.464 20 30 CGEDHN C[C@@H](c1ccccc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191184885 375592260 /nfs/dbraw/zinc/59/22/60/375592260.db2.gz KYWNYZHCZREDAF-ZDUSSCGKSA-N 0 3 253.349 3.090 20 30 CGEDHN Cn1cc(CN2CCC3(C2)CCCCC3)cc1C#N ZINC000191402388 375624385 /nfs/dbraw/zinc/62/43/85/375624385.db2.gz RQYBCQILRPQETK-UHFFFAOYSA-N 0 3 257.381 3.053 20 30 CGEDHN Cn1cc(CN2CCC3(CCCCC3)CC2)cc1C#N ZINC000191308670 375609828 /nfs/dbraw/zinc/60/98/28/375609828.db2.gz CUQHRMAGXCYTHB-UHFFFAOYSA-N 0 3 271.408 3.443 20 30 CGEDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000191661639 375649760 /nfs/dbraw/zinc/64/97/60/375649760.db2.gz XCGCXWBXHVFGMS-QGZVFWFLSA-N 0 3 290.382 3.070 20 30 CGEDHN C=CCN(CCOC)Cc1ccc2nc(C)ccc2c1 ZINC000191759809 375659981 /nfs/dbraw/zinc/65/99/81/375659981.db2.gz GADVTEWUQXEVDJ-UHFFFAOYSA-N 0 3 270.376 3.178 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000336072876 375663730 /nfs/dbraw/zinc/66/37/30/375663730.db2.gz JXZBMLLHSCDRAA-WCQYABFASA-N 0 3 283.331 3.041 20 30 CGEDHN C=C(C)CCN(C)C1(C(=O)OCC)CCCCC1 ZINC000509035044 375770174 /nfs/dbraw/zinc/77/01/74/375770174.db2.gz UXUFUSQHAVCSKL-UHFFFAOYSA-N 0 3 253.386 3.150 20 30 CGEDHN C=CCCCCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000514947253 375808904 /nfs/dbraw/zinc/80/89/04/375808904.db2.gz SAMODPQVUMNYFG-UHFFFAOYSA-N 0 3 274.408 3.224 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@](C)(CCC)C1 ZINC000525268893 375881558 /nfs/dbraw/zinc/88/15/58/375881558.db2.gz VGJFXMILQJWQHP-QGZVFWFLSA-N 0 3 280.456 3.313 20 30 CGEDHN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000528928451 375915203 /nfs/dbraw/zinc/91/52/03/375915203.db2.gz NVUSNHLUURSDNP-YIVQXAGMSA-N 0 3 280.327 3.296 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(CC)CC1 ZINC000337696888 376235025 /nfs/dbraw/zinc/23/50/25/376235025.db2.gz TYLOVDSOOYPDHT-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H](C)CC ZINC000539315785 376303114 /nfs/dbraw/zinc/30/31/14/376303114.db2.gz OMCOUADXYLPHMT-WBMJQRKESA-N 0 3 294.826 3.319 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCc1cccc(C#N)c1F ZINC000233848746 376604410 /nfs/dbraw/zinc/60/44/10/376604410.db2.gz QLXHRDVWSPFCEX-KGLIPLIRSA-N 0 3 278.396 3.461 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000233988890 376607468 /nfs/dbraw/zinc/60/74/68/376607468.db2.gz HTGOJRIXQCOPPK-LSDHHAIUSA-N 0 3 278.396 3.461 20 30 CGEDHN COc1cc(CN2CCC(C)(C)CC2)ccc1C#N ZINC000234961556 376626256 /nfs/dbraw/zinc/62/62/56/376626256.db2.gz YVOOJOZKFKXAKQ-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC#N)CC1 ZINC000543811034 376680467 /nfs/dbraw/zinc/68/04/67/376680467.db2.gz MWDLWOZUOFCLQA-LBPRGKRZSA-N 0 3 273.336 3.281 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1OC ZINC000339585003 376763348 /nfs/dbraw/zinc/76/33/48/376763348.db2.gz RJJPWLFMXWYNPJ-UONOGXRCSA-N 0 3 279.355 3.240 20 30 CGEDHN C=CCOCCN(C)[C@H](CC)c1cccc(OC)c1 ZINC000339197456 376734588 /nfs/dbraw/zinc/73/45/88/376734588.db2.gz DCIPYZBRVOVWPJ-MRXNPFEDSA-N 0 3 263.381 3.281 20 30 CGEDHN C=CCCC[C@H](C)NCc1cc(C(=O)OC)c(CC)o1 ZINC000555314475 376855774 /nfs/dbraw/zinc/85/57/74/376855774.db2.gz AKYIJFKWICXKIG-LBPRGKRZSA-N 0 3 279.380 3.463 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000555420660 376855958 /nfs/dbraw/zinc/85/59/58/376855958.db2.gz KRYYWNAQSBHCOM-CYBMUJFWSA-N 0 3 293.382 3.468 20 30 CGEDHN CC(C)n1ccc(CNC2CCC(C)(C#N)CC2)n1 ZINC000562517449 377321658 /nfs/dbraw/zinc/32/16/58/377321658.db2.gz JRLJPIXZJNDERU-UHFFFAOYSA-N 0 3 260.385 3.026 20 30 CGEDHN CN(Cc1cccc(C#N)c1F)C1Cc2ccccc2C1 ZINC000340944582 377332526 /nfs/dbraw/zinc/33/25/26/377332526.db2.gz AIGOUYVJQVTJCB-UHFFFAOYSA-N 0 3 280.346 3.297 20 30 CGEDHN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(C#N)cc1 ZINC000562064623 377272829 /nfs/dbraw/zinc/27/28/29/377272829.db2.gz MKGVCQXFSTXMJC-XQQFMLRXSA-N 0 3 250.292 3.253 20 30 CGEDHN Cc1ccccc1[C@H]([C@@H](C)NC[C@H](C#N)CCC#N)N(C)C ZINC000563003593 377386128 /nfs/dbraw/zinc/38/61/28/377386128.db2.gz UQNVTIGUXKEIMO-RYRKJORJSA-N 0 3 298.434 3.019 20 30 CGEDHN CC[C@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216235 377421174 /nfs/dbraw/zinc/42/11/74/377421174.db2.gz UATZHDSIRIIMRA-FZMZJTMJSA-N 0 3 273.336 3.087 20 30 CGEDHN CC[C@]1(CO)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249002240 377442906 /nfs/dbraw/zinc/44/29/06/377442906.db2.gz YXUPQMNBNQFUEL-PBHICJAKSA-N 0 3 272.392 3.104 20 30 CGEDHN C=CCCCCN1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000572333871 377548008 /nfs/dbraw/zinc/54/80/08/377548008.db2.gz KSHNYVYJAOIDSW-OWCLPIDISA-N 0 3 267.413 3.001 20 30 CGEDHN Cc1cc(CNCc2cccc(C#N)c2)ccc1C#N ZINC000443981487 249137755 /nfs/dbraw/zinc/13/77/55/249137755.db2.gz OJZJEARCBOMODK-UHFFFAOYSA-N 0 3 261.328 3.028 20 30 CGEDHN C[C@H](N(C)Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000517238466 249260844 /nfs/dbraw/zinc/26/08/44/249260844.db2.gz BVHBICULXSPZGB-NSHDSACASA-N 0 3 275.352 3.333 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCCCC2 ZINC000519015551 249291352 /nfs/dbraw/zinc/29/13/52/249291352.db2.gz GAWHGLBNBSGCFU-IRXDYDNUSA-N 0 3 299.418 3.171 20 30 CGEDHN CC(C)(CCC#N)CNCc1cnc([C@@H]2CCCO2)s1 ZINC000342314624 377640514 /nfs/dbraw/zinc/64/05/14/377640514.db2.gz YIAHYOKLCRFFGG-ZDUSSCGKSA-N 0 3 293.436 3.414 20 30 CGEDHN CN(CCOc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342696707 377741758 /nfs/dbraw/zinc/74/17/58/377741758.db2.gz RHAQBMXMTHDFRB-UHFFFAOYSA-N 0 3 280.371 3.263 20 30 CGEDHN N#Cc1ccc(CNC/C=C\c2ccccc2)s1 ZINC000255196341 377741943 /nfs/dbraw/zinc/74/19/43/377741943.db2.gz JHXPSWXHGHQTJO-DAXSKMNVSA-N 0 3 254.358 3.423 20 30 CGEDHN C=CCCN(C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000342716374 377751105 /nfs/dbraw/zinc/75/11/05/377751105.db2.gz DEHLUAPXXGAREK-QGZVFWFLSA-N 0 3 286.419 3.030 20 30 CGEDHN C=CCCN(C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000342729538 377760523 /nfs/dbraw/zinc/76/05/23/377760523.db2.gz FVQBSORJCDYNLT-UHFFFAOYSA-N 0 3 260.312 3.489 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000342787857 377793211 /nfs/dbraw/zinc/79/32/11/377793211.db2.gz NWGRXRLYHKERNZ-PELKAZGASA-N 0 3 295.264 3.047 20 30 CGEDHN N#CCc1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000343529585 378009870 /nfs/dbraw/zinc/00/98/70/378009870.db2.gz BWOYTXIBEZYFLM-UHFFFAOYSA-N 0 3 284.403 3.144 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000343493580 377995194 /nfs/dbraw/zinc/99/51/94/377995194.db2.gz CYFHTHMLDJEMKR-OCCSQVGLSA-N 0 3 259.349 3.329 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1sc(C)nc1C ZINC000268580658 378076417 /nfs/dbraw/zinc/07/64/17/378076417.db2.gz SWRSXKWQXNDAJF-AAEUAGOBSA-N 0 3 268.426 3.080 20 30 CGEDHN C=C(C)CN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343751380 378082329 /nfs/dbraw/zinc/08/23/29/378082329.db2.gz QRWATUWLVISQSP-LLVKDONJSA-N 0 3 287.329 3.194 20 30 CGEDHN CC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCCCCC1 ZINC000345104164 378196244 /nfs/dbraw/zinc/19/62/44/378196244.db2.gz QRPXNSBUFOCCDS-MRXNPFEDSA-N 0 3 299.418 3.035 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)C(C)(C)C)CC1 ZINC000579811350 378197525 /nfs/dbraw/zinc/19/75/25/378197525.db2.gz WMNZTZHBFPRMMS-UHFFFAOYSA-N 0 3 280.456 3.215 20 30 CGEDHN CCN1C[C@H](C)N(c2cc(C#N)c3ccccc3n2)C[C@@H]1C ZINC000345155527 378207046 /nfs/dbraw/zinc/20/70/46/378207046.db2.gz XIKXQCXHYYTSOI-KBPBESRZSA-N 0 3 294.402 3.025 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000579964439 378213288 /nfs/dbraw/zinc/21/32/88/378213288.db2.gz HGFWOEOAYKIYQO-OLZOCXBDSA-N 0 3 287.363 3.334 20 30 CGEDHN N#Cc1cccc(C2(NCCOc3ccc(F)cc3)CC2)c1 ZINC000583278121 378317628 /nfs/dbraw/zinc/31/76/28/378317628.db2.gz DWVZOASHOZBMKV-UHFFFAOYSA-N 0 3 296.345 3.355 20 30 CGEDHN C=CCCCC(=O)N(CCC)CCN1CCCCCC1 ZINC000583465559 378324618 /nfs/dbraw/zinc/32/46/18/378324618.db2.gz PRYBVCZPIFZWPA-UHFFFAOYSA-N 0 3 280.456 3.457 20 30 CGEDHN Cn1cc(C(C)(C)NCCC2(C#N)CCCCC2)cn1 ZINC000583611006 378334970 /nfs/dbraw/zinc/33/49/70/378334970.db2.gz OHSDRCQVELLTLM-UHFFFAOYSA-N 0 3 274.412 3.109 20 30 CGEDHN C[C@@H](NCCOCC1CCC1)c1cccc(C#N)c1 ZINC000583667661 378338336 /nfs/dbraw/zinc/33/83/36/378338336.db2.gz GGAXDUCDJXWGDV-CYBMUJFWSA-N 0 3 258.365 3.026 20 30 CGEDHN Cc1ncccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618742781 378410902 /nfs/dbraw/zinc/41/09/02/378410902.db2.gz SFRKYGBDKBJSDW-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000345801616 378373058 /nfs/dbraw/zinc/37/30/58/378373058.db2.gz NAFQWYMCRRCQCV-SECBINFHSA-N 0 3 284.281 3.216 20 30 CGEDHN Cc1cccc(NCCN[C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346127049 378472176 /nfs/dbraw/zinc/47/21/76/378472176.db2.gz BYMUQCKRRSOFBL-CYBMUJFWSA-N 0 3 298.365 3.164 20 30 CGEDHN C#CCCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000271062431 378446097 /nfs/dbraw/zinc/44/60/97/378446097.db2.gz SWAKECFZHOATTJ-CQSZACIVSA-N 0 3 263.406 3.143 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](COC)C2)cc1Cl ZINC000271160383 378466560 /nfs/dbraw/zinc/46/65/60/378466560.db2.gz FKGKUBOFPGORDC-AWEZNQCLSA-N 0 3 295.810 3.373 20 30 CGEDHN Cn1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000271043835 378435518 /nfs/dbraw/zinc/43/55/18/378435518.db2.gz KLPREAIQYUDCHI-UHFFFAOYSA-N 0 3 265.360 3.061 20 30 CGEDHN CCC(CC)(CO)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271943822 378525293 /nfs/dbraw/zinc/52/52/93/378525293.db2.gz MTSJOHFURZOVIX-GFCCVEGCSA-N 0 3 278.371 3.147 20 30 CGEDHN C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000271787985 378504397 /nfs/dbraw/zinc/50/43/97/378504397.db2.gz WFYVVHXAAFDCCB-FVQBIDKESA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC(C)(C)C1 ZINC000346320315 378541325 /nfs/dbraw/zinc/54/13/25/378541325.db2.gz GCVPJYFFFULONO-CYBMUJFWSA-N 0 3 282.391 3.074 20 30 CGEDHN C[C@@H](NCCc1nccs1)c1ccc(C#N)c(F)c1 ZINC000271964691 378531592 /nfs/dbraw/zinc/53/15/92/378531592.db2.gz SKGLXSWPPVLZQF-SNVBAGLBSA-N 0 3 275.352 3.047 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccccc1OC(F)F ZINC000272509731 378653315 /nfs/dbraw/zinc/65/33/15/378653315.db2.gz GAXPHGVVFRDVLK-LLVKDONJSA-N 0 3 271.307 3.141 20 30 CGEDHN C=CCOc1ccc(CNCCc2nc(C)oc2C)cc1 ZINC000346833014 378692435 /nfs/dbraw/zinc/69/24/35/378692435.db2.gz RQEBVVDZXKKXAI-UHFFFAOYSA-N 0 3 286.375 3.189 20 30 CGEDHN Cc1cc(CNCCCC#N)ccc1Br ZINC000273021864 378734811 /nfs/dbraw/zinc/73/48/11/378734811.db2.gz DTEZFMBCRLFPNP-UHFFFAOYSA-N 0 3 267.170 3.151 20 30 CGEDHN C=CCOCCCN1CCSC[C@H]1c1ccccc1 ZINC000348040559 378763405 /nfs/dbraw/zinc/76/34/05/378763405.db2.gz DQZGUWWACAJVPK-INIZCTEOSA-N 0 3 277.433 3.369 20 30 CGEDHN C=CCOCCCNC(C)(C)c1nc(C)c(C)s1 ZINC000348046030 378764336 /nfs/dbraw/zinc/76/43/36/378764336.db2.gz DCCNOVIURIYNEI-UHFFFAOYSA-N 0 3 268.426 3.177 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000274262058 378800064 /nfs/dbraw/zinc/80/00/64/378800064.db2.gz CKTPUJTUOUKGAL-CYBMUJFWSA-N 0 3 260.381 3.289 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCCc2cccc(CN)c21 ZINC000638543437 378831829 /nfs/dbraw/zinc/83/18/29/378831829.db2.gz ZZUONAJQNQOIFF-ZDUSSCGKSA-N 0 3 272.392 3.027 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCSC1 ZINC000278507813 194018494 /nfs/dbraw/zinc/01/84/94/194018494.db2.gz WKHWOUOVNFCNNU-HNNXBMFYSA-N 0 3 277.433 3.436 20 30 CGEDHN C=CCN1CC[C@H](N(C)CCCC2CCCCC2)C1=O ZINC000348282962 378884191 /nfs/dbraw/zinc/88/41/91/378884191.db2.gz BCIUPGCVZMDAJE-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000274812274 378899823 /nfs/dbraw/zinc/89/98/23/378899823.db2.gz VJMLMQCXPCPTJK-UHFFFAOYSA-N 0 3 288.391 3.009 20 30 CGEDHN C=C(C)COCCNC[C@@H](OC(C)C)c1ccccc1 ZINC000638758136 378900058 /nfs/dbraw/zinc/90/00/58/378900058.db2.gz TTWNHASJUITGIE-QGZVFWFLSA-N 0 3 277.408 3.335 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCCCO2 ZINC000348399789 378941338 /nfs/dbraw/zinc/94/13/38/378941338.db2.gz RGKOUAMQJJBWQE-CYBMUJFWSA-N 0 3 286.375 3.192 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000276667699 378977222 /nfs/dbraw/zinc/97/72/22/378977222.db2.gz RGMKJFPXZOCSDX-KRWDZBQOSA-N 0 3 298.430 3.124 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H]2CCC[C@@H]2O)cc1Cl ZINC000348545311 378986339 /nfs/dbraw/zinc/98/63/39/378986339.db2.gz KNNWETIQYDCSEI-GJZGRUSLSA-N 0 3 295.810 3.250 20 30 CGEDHN COc1ccc2c(c1)CCC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000276724899 378986454 /nfs/dbraw/zinc/98/64/54/378986454.db2.gz CASOMWOJHXMPKE-GOSISDBHSA-N 0 3 295.386 3.073 20 30 CGEDHN C=CCN1CCC(Nc2ncccc2C(F)(F)F)CC1 ZINC000266435806 190257598 /nfs/dbraw/zinc/25/75/98/190257598.db2.gz VEEPHGIRZYPWFT-UHFFFAOYSA-N 0 3 285.313 3.163 20 30 CGEDHN C=CCCCCC[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000373284675 379254550 /nfs/dbraw/zinc/25/45/50/379254550.db2.gz AILMANFNILEGDN-HNNXBMFYSA-N 0 3 270.380 3.230 20 30 CGEDHN CC[C@@H](N[C@H](C)c1cnn(C)c1C)c1ccc(C#N)cc1 ZINC000278351246 379358415 /nfs/dbraw/zinc/35/84/15/379358415.db2.gz ZGRPCEWWDGELMI-SJKOYZFVSA-N 0 3 282.391 3.402 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279629057 379474986 /nfs/dbraw/zinc/47/49/86/379474986.db2.gz YXLKLVGMRKTRSB-MJBXVCDLSA-N 0 3 299.422 3.426 20 30 CGEDHN C=C(CC)CN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793070 379585899 /nfs/dbraw/zinc/58/58/99/379585899.db2.gz SCEIJBUQSVOZNE-HNNXBMFYSA-N 0 3 267.376 3.385 20 30 CGEDHN C=C(C)CN1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000639755050 379569761 /nfs/dbraw/zinc/56/97/61/379569761.db2.gz DHRUYFIWIRWUHZ-UHFFFAOYSA-N 0 3 282.391 3.227 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000639960718 379666377 /nfs/dbraw/zinc/66/63/77/379666377.db2.gz BHMXYXWDBKEBQG-UHFFFAOYSA-N 0 3 286.419 3.155 20 30 CGEDHN C=C(C)CCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000351849564 379746322 /nfs/dbraw/zinc/74/63/22/379746322.db2.gz DZWRPEQPOBKVQT-UHFFFAOYSA-N 0 3 267.376 3.197 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nn(CC)c2ccccc12 ZINC000280629351 379750402 /nfs/dbraw/zinc/75/04/02/379750402.db2.gz LVXAAQGCEOJZKE-KSSFIOAISA-N 0 3 299.418 3.127 20 30 CGEDHN C=CCCC[C@@H](C)N1CCSC2(CCOCC2)C1 ZINC000352038147 379753029 /nfs/dbraw/zinc/75/30/29/379753029.db2.gz DZPSFEAMRBVYCP-CQSZACIVSA-N 0 3 269.454 3.329 20 30 CGEDHN C=CCCCN[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352412196 379804551 /nfs/dbraw/zinc/80/45/51/379804551.db2.gz CTLKHPOMNQHTDP-KRWDZBQOSA-N 0 3 291.391 3.029 20 30 CGEDHN COc1cc(CN[C@@H]2CCc3c2cccc3F)ccc1C#N ZINC000281795285 379845869 /nfs/dbraw/zinc/84/58/69/379845869.db2.gz UXARCKFIYLYZFV-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000378398192 379818702 /nfs/dbraw/zinc/81/87/02/379818702.db2.gz QDVWOTXXGIXGSL-HOTGVXAUSA-N 0 3 284.403 3.197 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000378398195 379818780 /nfs/dbraw/zinc/81/87/80/379818780.db2.gz QDVWOTXXGIXGSL-JKSUJKDBSA-N 0 3 284.403 3.197 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cccc(C3CCC3)c2)CC1 ZINC000281162820 379822376 /nfs/dbraw/zinc/82/23/76/379822376.db2.gz GIZDWTCIGYLXQL-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C[C@H](CO)NCc1cccc(Oc2ccccc2)c1 ZINC000352465226 379827865 /nfs/dbraw/zinc/82/78/65/379827865.db2.gz FYPUULNYZCQUNL-OAHLLOKOSA-N 0 3 269.344 3.115 20 30 CGEDHN C[C@@H]1CSC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000352795747 379965809 /nfs/dbraw/zinc/96/58/09/379965809.db2.gz FENXBWBBKPYFRI-BXKDBHETSA-N 0 3 298.358 3.001 20 30 CGEDHN CCS[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000352809039 379972692 /nfs/dbraw/zinc/97/26/92/379972692.db2.gz FOEGYOLHNNJYME-CMPLNLGQSA-N 0 3 281.450 3.169 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000352837448 379992161 /nfs/dbraw/zinc/99/21/61/379992161.db2.gz AHRUTYJPPYXRKD-RWMBFGLXSA-N 0 3 275.421 3.463 20 30 CGEDHN COC(=O)CCC[C@@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000352882284 380018284 /nfs/dbraw/zinc/01/82/84/380018284.db2.gz HCFZIKNJALRYFU-UONOGXRCSA-N 0 3 280.412 3.028 20 30 CGEDHN CCN(CCC1(C#N)CCCCC1)C[C@@H]1CCCO1 ZINC000411223679 380136105 /nfs/dbraw/zinc/13/61/05/380136105.db2.gz PJRQATPCLCNXGO-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN COc1cc(CNCC2(C(F)(F)F)CCC2)ccc1C#N ZINC000353081454 380107074 /nfs/dbraw/zinc/10/70/74/380107074.db2.gz CWLIAGBHGBEXHB-UHFFFAOYSA-N 0 3 298.308 3.389 20 30 CGEDHN N#Cc1cccc(CNCC2(C(F)(F)F)CCC2)c1 ZINC000353084307 380107207 /nfs/dbraw/zinc/10/72/07/380107207.db2.gz IZYDNIJLRSFZCW-UHFFFAOYSA-N 0 3 268.282 3.380 20 30 CGEDHN COCC1(CNCc2ccc(C#N)cc2F)CCCCC1 ZINC000353106680 380117702 /nfs/dbraw/zinc/11/77/02/380117702.db2.gz HPMMXRSACDRKHO-UHFFFAOYSA-N 0 3 290.382 3.384 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(C#N)c(F)c1 ZINC000414159805 380195542 /nfs/dbraw/zinc/19/55/42/380195542.db2.gz BYKZQNFYDRUUOP-NSHDSACASA-N 0 3 259.328 3.288 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@H](C)NCC(C)(C)CC#N ZINC000414167816 380197532 /nfs/dbraw/zinc/19/75/32/380197532.db2.gz PTMUOIBUPMYVQC-DZGCQCFKSA-N 0 3 260.381 3.292 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1ccccc1S(C)(=O)=O ZINC000414231138 380204120 /nfs/dbraw/zinc/20/41/20/380204120.db2.gz GXCSYTDYULADPI-OAHLLOKOSA-N 0 3 295.448 3.315 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)o2)C1(C)C ZINC000414563510 380321441 /nfs/dbraw/zinc/32/14/41/380321441.db2.gz CUEVJNYIAXFGCT-UONOGXRCSA-N 0 3 276.380 3.223 20 30 CGEDHN C[C@H](N[C@@H]1CSC[C@@H]1C)c1ccc(C#N)cc1F ZINC000354010296 380276595 /nfs/dbraw/zinc/27/65/95/380276595.db2.gz MXNOEHXRUQFYJK-PKFCDNJMSA-N 0 3 264.369 3.099 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cc(C(=O)OC)co1 ZINC000414538042 380306997 /nfs/dbraw/zinc/30/69/97/380306997.db2.gz PYARHBHEJXVFTR-INIZCTEOSA-N 0 3 299.370 3.343 20 30 CGEDHN N#CC(C(=O)c1cccc(-c2ccoc2)c1)c1ccncn1 ZINC000354457489 380446126 /nfs/dbraw/zinc/44/61/26/380446126.db2.gz BDERUKWNRJCUKX-OAHLLOKOSA-N 0 3 289.294 3.227 20 30 CGEDHN N#Cc1cccc(N2CCN(CCCC3CCCC3)CC2)n1 ZINC000355134824 380593104 /nfs/dbraw/zinc/59/31/04/380593104.db2.gz ZFRMWXDAWPCWFA-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN C=CCOc1ccccc1CNCC1(C(F)F)CC1 ZINC000355174498 380611291 /nfs/dbraw/zinc/61/12/91/380611291.db2.gz ZNKDBJPDGYZIFX-UHFFFAOYSA-N 0 3 267.319 3.386 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1ncnn1-c1ccccc1 ZINC000355192680 380616575 /nfs/dbraw/zinc/61/65/75/380616575.db2.gz DFXJIHVYKKXYQP-OAHLLOKOSA-N 0 3 284.407 3.492 20 30 CGEDHN CCCn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418139152 380713158 /nfs/dbraw/zinc/71/31/58/380713158.db2.gz DORSQOVYHUHDAV-SFHVURJKSA-N 0 3 294.402 3.332 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1ccc(C2CC2)cc1 ZINC000419346734 380810371 /nfs/dbraw/zinc/81/03/71/380810371.db2.gz VVCAMAOHNCUXCD-CYBMUJFWSA-N 0 3 258.365 3.145 20 30 CGEDHN CC#CCN(CCCC)[C@@H]1CCc2ncsc2C1 ZINC000646129955 380848037 /nfs/dbraw/zinc/84/80/37/380848037.db2.gz XVVFTYHVTZGJPY-CYBMUJFWSA-N 0 3 262.422 3.126 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H](C)c2ccc(F)cc2)n1 ZINC000279343765 194392532 /nfs/dbraw/zinc/39/25/32/194392532.db2.gz FHTOBLCDFFHEOV-HNNXBMFYSA-N 0 3 299.393 3.281 20 30 CGEDHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1OC ZINC000357556524 381206979 /nfs/dbraw/zinc/20/69/79/381206979.db2.gz UXMXYBDINMWTAJ-SWLSCSKDSA-N 0 3 258.365 3.330 20 30 CGEDHN C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)[C@@H]1C ZINC000357716878 381264257 /nfs/dbraw/zinc/26/42/57/381264257.db2.gz PEMKIXRWZYSIHH-ZIAGYGMSSA-N 0 3 267.376 3.431 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000358044131 381288699 /nfs/dbraw/zinc/28/86/99/381288699.db2.gz XPSSTHZOFQOGIA-OLZOCXBDSA-N 0 3 270.380 3.191 20 30 CGEDHN C=C(CC)CN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000358496019 381311829 /nfs/dbraw/zinc/31/18/29/381311829.db2.gz IYRXRFXPFXVANE-SCLBCKFNSA-N 0 3 265.422 3.383 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000360214402 381483457 /nfs/dbraw/zinc/48/34/57/381483457.db2.gz WETLOLQVFGQBJU-SJKOYZFVSA-N 0 3 251.395 3.041 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000360738550 381622997 /nfs/dbraw/zinc/62/29/97/381622997.db2.gz LZQLBFDGWBTJLZ-CHWSQXEVSA-N 0 3 295.342 3.211 20 30 CGEDHN CN(C)Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000361426081 381744216 /nfs/dbraw/zinc/74/42/16/381744216.db2.gz LKZFIRYNCAVHEP-CJNGLKHVSA-N 0 3 289.398 3.059 20 30 CGEDHN CCCCCCCN(C)CC(=O)NCc1cccs1 ZINC000740877659 572465248 /nfs/dbraw/zinc/46/52/48/572465248.db2.gz VTNKNEGAEVLJBG-UHFFFAOYSA-N 0 3 282.453 3.267 20 30 CGEDHN CN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC000361469590 381760821 /nfs/dbraw/zinc/76/08/21/381760821.db2.gz MVGRSKIMZJKHTQ-HNNXBMFYSA-N 0 3 285.391 3.007 20 30 CGEDHN CSCCCCCNCc1ccc(C#N)cc1F ZINC000229516101 542300302 /nfs/dbraw/zinc/30/03/02/542300302.db2.gz NTMNYNXYRMOFEV-UHFFFAOYSA-N 0 3 266.385 3.320 20 30 CGEDHN CC(C)(CCC#N)CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000367966198 382361255 /nfs/dbraw/zinc/36/12/55/382361255.db2.gz OJFNZGGSQWPWKU-KGLIPLIRSA-N 0 3 264.413 3.206 20 30 CGEDHN C[C@@H](Nc1ccc(C#N)cn1)[C@@H](c1ccccc1)N(C)C ZINC000280938958 195037198 /nfs/dbraw/zinc/03/71/98/195037198.db2.gz IGGMOLQLYYZDIF-DYVFJYSZSA-N 0 3 280.375 3.057 20 30 CGEDHN CCCN(Cc1ccc(C#N)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000353748550 220300634 /nfs/dbraw/zinc/30/06/34/220300634.db2.gz QQZKMCXMMGQVST-XHSDSOJGSA-N 0 3 288.391 3.177 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000351913152 533116057 /nfs/dbraw/zinc/11/60/57/533116057.db2.gz UIYSZUUFPVTEAE-KWQFWETISA-N 0 3 288.244 3.095 20 30 CGEDHN CC(C#N)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000354679715 533117236 /nfs/dbraw/zinc/11/72/36/533117236.db2.gz RVBFTPVHXKCAPN-SUMWQHHRSA-N 0 3 296.345 3.385 20 30 CGEDHN C=CC[C@@H](CO)N[C@H]1CCSc2c(Cl)cccc21 ZINC000349756608 542527208 /nfs/dbraw/zinc/52/72/08/542527208.db2.gz IBCRYQVHQWBQTH-GWCFXTLKSA-N 0 3 283.824 3.404 20 30 CGEDHN COc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000037680640 224483743 /nfs/dbraw/zinc/48/37/43/224483743.db2.gz PRTBMGAGUDJZMW-ZDUSSCGKSA-N 0 3 266.344 3.418 20 30 CGEDHN COc1cc(CNCC2(OC)CCCCC2)ccc1C#N ZINC000281663159 195327736 /nfs/dbraw/zinc/32/77/36/195327736.db2.gz KZAMOJUQSGYFMQ-UHFFFAOYSA-N 0 3 288.391 3.006 20 30 CGEDHN C[C@@H](NC[C@@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358568477 533422694 /nfs/dbraw/zinc/42/26/94/533422694.db2.gz LEHGNRJUSJQMGI-YRGRVCCFSA-N 0 3 276.355 3.163 20 30 CGEDHN Cc1cc(CN2CCC3(CCC(O)CC3)CC2)ccc1C#N ZINC000449368008 533595271 /nfs/dbraw/zinc/59/52/71/533595271.db2.gz BEZVYNITYOHIQG-UHFFFAOYSA-N 0 3 298.430 3.384 20 30 CGEDHN C=CCN(CCc1ccncc1)Cc1cccc(C#N)c1 ZINC000063300855 392136536 /nfs/dbraw/zinc/13/65/36/392136536.db2.gz CFPHACCJRUWCDA-UHFFFAOYSA-N 0 3 277.371 3.184 20 30 CGEDHN C=CCCOCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285023989 392316813 /nfs/dbraw/zinc/31/68/13/392316813.db2.gz HOCMCYVEDRPKET-CQSZACIVSA-N 0 3 263.381 3.252 20 30 CGEDHN N#Cc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1F ZINC000361769963 392320104 /nfs/dbraw/zinc/32/01/04/392320104.db2.gz VBOROZKQFWXVAB-QGZVFWFLSA-N 0 3 281.334 3.333 20 30 CGEDHN CO[C@]1(C)C[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361830015 392335156 /nfs/dbraw/zinc/33/51/56/392335156.db2.gz POGNKAVTMATEQR-NVXWUHKLSA-N 0 3 290.382 3.333 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CC[C@H](C(=O)OC)C1)c1ccco1 ZINC000286378614 392381784 /nfs/dbraw/zinc/38/17/84/392381784.db2.gz AOHIYOHWRIEEGU-BFHYXJOUSA-N 0 3 277.364 3.218 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000121164410 392408937 /nfs/dbraw/zinc/40/89/37/392408937.db2.gz YKCQHHBRAPSCTN-CQSZACIVSA-N 0 3 292.398 3.071 20 30 CGEDHN CC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)[C@@H](O)C(F)F ZINC000296440924 392558405 /nfs/dbraw/zinc/55/84/05/392558405.db2.gz MHYDNEVXEPMFKX-BFHYXJOUSA-N 0 3 282.334 3.004 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2OCCc3ccccc32)s1 ZINC000371879036 392564501 /nfs/dbraw/zinc/56/45/01/392564501.db2.gz AKCLCFWKNOVDHD-MRXNPFEDSA-N 0 3 284.384 3.023 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374179504 392671099 /nfs/dbraw/zinc/67/10/99/392671099.db2.gz UCKDDDLNXYSNOR-CABNGKKXSA-N 0 3 257.805 3.000 20 30 CGEDHN CCCN1CCC[C@@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC000329494444 392684289 /nfs/dbraw/zinc/68/42/89/392684289.db2.gz ILQVTBLNECXYFF-CQSZACIVSA-N 0 3 272.352 3.025 20 30 CGEDHN CCCN1CCC[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000329494444 392684292 /nfs/dbraw/zinc/68/42/92/392684292.db2.gz ILQVTBLNECXYFF-CQSZACIVSA-N 0 3 272.352 3.025 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647304762 392653455 /nfs/dbraw/zinc/65/34/55/392653455.db2.gz DSYRJXNQQLOKGR-ZDUSSCGKSA-N 0 3 261.413 3.472 20 30 CGEDHN C=CCN1CCC(NC(=O)C2(C)CCCCCC2)CC1 ZINC000181957396 392740195 /nfs/dbraw/zinc/74/01/95/392740195.db2.gz WUHZAPHZWHTIBD-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000182646119 392748164 /nfs/dbraw/zinc/74/81/64/392748164.db2.gz BPJNWRMZQWKVIE-GXTWGEPZSA-N 0 3 259.349 3.411 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000183366841 392755816 /nfs/dbraw/zinc/75/58/16/392755816.db2.gz UVFHQZPYBDEJAB-GOSISDBHSA-N 0 3 296.345 3.351 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000186309289 392783196 /nfs/dbraw/zinc/78/31/96/392783196.db2.gz KOHSJNJWRUVOQN-KBXCAEBGSA-N 0 3 294.402 3.146 20 30 CGEDHN CC(C#N)C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000335671498 392805650 /nfs/dbraw/zinc/80/56/50/392805650.db2.gz FDPUESSQKLJPQW-NUYPLMSZSA-N 0 3 274.339 3.128 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000335725478 392811254 /nfs/dbraw/zinc/81/12/54/392811254.db2.gz GUTSBVVIWHVYOO-HTQZYQBOSA-N 0 3 271.147 3.330 20 30 CGEDHN Cc1cc(F)cc2c1CN(CCCSCC#N)CC2 ZINC000337427896 392885222 /nfs/dbraw/zinc/88/52/22/392885222.db2.gz AAVPHXOUFVOBRY-UHFFFAOYSA-N 0 3 278.396 3.139 20 30 CGEDHN C=C(C)CCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337434612 392885281 /nfs/dbraw/zinc/88/52/81/392885281.db2.gz HCWBWPDXAIZSJH-OAHLLOKOSA-N 0 3 274.408 3.104 20 30 CGEDHN C=C(CC)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337439397 392886948 /nfs/dbraw/zinc/88/69/48/392886948.db2.gz LHYXSMBEKQYBMK-HNNXBMFYSA-N 0 3 273.424 3.365 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]2C2CCOCC2)ccc1F ZINC000336387083 392852457 /nfs/dbraw/zinc/85/24/57/392852457.db2.gz RKAVRAZCASNZIA-QGZVFWFLSA-N 0 3 288.366 3.088 20 30 CGEDHN Cc1ccc([C@H](C)N(C)CCOCCC#N)c(C)c1 ZINC000338923638 392936810 /nfs/dbraw/zinc/93/68/10/392936810.db2.gz DUYVWLZFOGQZHV-HNNXBMFYSA-N 0 3 260.381 3.227 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000339070499 392944939 /nfs/dbraw/zinc/94/49/39/392944939.db2.gz ZDZKSHCXSPMPJJ-GUTXKFCHSA-N 0 3 288.391 3.437 20 30 CGEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1c(Cl)cccc1C#N ZINC000343608783 393030514 /nfs/dbraw/zinc/03/05/14/393030514.db2.gz LMPYZFUJHRNYHK-GXTWGEPZSA-N 0 3 289.810 3.275 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCC#Cc1ccc(F)cc1 ZINC000411892927 392990691 /nfs/dbraw/zinc/99/06/91/392990691.db2.gz LXTNOHYCEODWFS-MOPGFXCFSA-N 0 3 295.357 3.079 20 30 CGEDHN CCN(CCCSCC#N)Cc1occc1C ZINC000412032508 392994493 /nfs/dbraw/zinc/99/44/93/392994493.db2.gz ZBFJPGIDCNIZNV-UHFFFAOYSA-N 0 3 252.383 3.057 20 30 CGEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)CC(C)C ZINC000534463518 392998291 /nfs/dbraw/zinc/99/82/91/392998291.db2.gz RCKRGAVQNHSQDS-UHFFFAOYSA-N 0 3 288.391 3.213 20 30 CGEDHN CCN(Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)C(C)C ZINC000534486686 392999183 /nfs/dbraw/zinc/99/91/83/392999183.db2.gz IKFIAIRBDDARIY-ZDUSSCGKSA-N 0 3 288.391 3.211 20 30 CGEDHN Cc1ccc(C[C@@H]2CCCN2CC2(C#N)CC2)cc1 ZINC000343314039 393024061 /nfs/dbraw/zinc/02/40/61/393024061.db2.gz MBGOSSNGACLVPO-INIZCTEOSA-N 0 3 254.377 3.306 20 30 CGEDHN CC(C#N)C(=O)N[C@](C)(Cc1ccccc1)c1ccccc1 ZINC000414054389 393037629 /nfs/dbraw/zinc/03/76/29/393037629.db2.gz MZQXKOYOBTVQIN-HNAYVOBHSA-N 0 3 292.382 3.420 20 30 CGEDHN COc1ccc(OC)c([C@@H](C)NCCC(C)(C)C#N)c1 ZINC000345924516 393072524 /nfs/dbraw/zinc/07/25/24/393072524.db2.gz HDURHMPCXYCQIX-GFCCVEGCSA-N 0 3 276.380 3.294 20 30 CGEDHN N#Cc1cccc(NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC000265586422 393168641 /nfs/dbraw/zinc/16/86/41/393168641.db2.gz XIMNTKSMXNCWLB-HNNXBMFYSA-N 0 3 296.374 3.185 20 30 CGEDHN CC1(c2ccccc2)CC(NCc2ccc(C#N)o2)C1 ZINC000266230958 393178865 /nfs/dbraw/zinc/17/88/65/393178865.db2.gz UKSJJVQMKOOROQ-UHFFFAOYSA-N 0 3 266.344 3.361 20 30 CGEDHN Cc1ccsc1[C@@H](CO)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353267207 393217936 /nfs/dbraw/zinc/21/79/36/393217936.db2.gz PENNSKWAQQIZLQ-JKSUJKDBSA-N 0 3 298.411 3.239 20 30 CGEDHN C=C(C)[C@H](CO)N1CC=C(c2ccc(OCC)cc2)CC1 ZINC000649406345 393412796 /nfs/dbraw/zinc/41/27/96/393412796.db2.gz ANWZRQABKACEQF-SFHVURJKSA-N 0 3 287.403 3.111 20 30 CGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCOC1 ZINC000356340952 393424149 /nfs/dbraw/zinc/42/41/49/393424149.db2.gz PJEJPSPRHQJJTB-ZDUSSCGKSA-N 0 3 298.308 3.188 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000475634474 393410240 /nfs/dbraw/zinc/41/02/40/393410240.db2.gz JNFONODNINWBMG-OAHLLOKOSA-N 0 3 296.418 3.464 20 30 CGEDHN Cc1cc(CN2CCS[C@H](C(C)C)C2)ccc1C#N ZINC000488459321 393522515 /nfs/dbraw/zinc/52/25/15/393522515.db2.gz IZWIJIVLAQBSDH-INIZCTEOSA-N 0 3 274.433 3.440 20 30 CGEDHN COc1ccc2c(c1)C[C@H](C)N(CCCC#N)[C@H]2C ZINC000359539340 393549981 /nfs/dbraw/zinc/54/99/81/393549981.db2.gz ORLNHPBGPHUWMP-STQMWFEESA-N 0 3 258.365 3.307 20 30 CGEDHN C=CCSCCNCc1cc(C(=O)OC)ccc1Cl ZINC000361021988 393645500 /nfs/dbraw/zinc/64/55/00/393645500.db2.gz CQECMHJQBZBYMC-UHFFFAOYSA-N 0 3 299.823 3.135 20 30 CGEDHN C#CCn1ccc(CN(CC)[C@@H](C)CCCC=C)n1 ZINC000491507839 393694008 /nfs/dbraw/zinc/69/40/08/393694008.db2.gz XMBJPVTVBBGEHF-HNNXBMFYSA-N 0 3 259.397 3.083 20 30 CGEDHN Cc1cc(CNCCOC2CCCCC2)ccc1C#N ZINC000443970218 393779444 /nfs/dbraw/zinc/77/94/44/393779444.db2.gz QTHJGEBBIMHYIE-UHFFFAOYSA-N 0 3 272.392 3.306 20 30 CGEDHN Cc1nc(C)c(CNCc2ccc(C#N)c(C)c2)s1 ZINC000443992734 393781080 /nfs/dbraw/zinc/78/10/80/393781080.db2.gz ZWYKONLEYLFESB-UHFFFAOYSA-N 0 3 271.389 3.230 20 30 CGEDHN COc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)ccc1C#N ZINC000449534971 393887587 /nfs/dbraw/zinc/88/75/87/393887587.db2.gz HBHJVCPEZFKURJ-FUHWJXTLSA-N 0 3 282.387 3.187 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)s1 ZINC000449537748 393888710 /nfs/dbraw/zinc/88/87/10/393888710.db2.gz JWERVWPLLPUZKP-LSDHHAIUSA-N 0 3 258.390 3.240 20 30 CGEDHN CO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C12CCC2 ZINC000449629718 393927179 /nfs/dbraw/zinc/92/71/79/393927179.db2.gz GCEKEBLFTTWOTB-UONOGXRCSA-N 0 3 276.405 3.009 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000668492584 543020606 /nfs/dbraw/zinc/02/06/06/543020606.db2.gz DCISPELXAMLPCZ-CQSZACIVSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](CO)c1ccc(F)cc1F ZINC000668745921 543055118 /nfs/dbraw/zinc/05/51/18/543055118.db2.gz IFLOUVDOBIYCKN-FIXISWKDSA-N 0 3 269.335 3.189 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](CO)c2ccc(F)cc2F)C1 ZINC000668754414 543056042 /nfs/dbraw/zinc/05/60/42/543056042.db2.gz MTRRRMTYUBWFPK-KFNAQCHYSA-N 0 3 281.346 3.333 20 30 CGEDHN Fc1ccc(C#CCN2CCC3(CCC3)CC2)cc1 ZINC000671728303 543181538 /nfs/dbraw/zinc/18/15/38/543181538.db2.gz IOXVRNZFFITCQP-UHFFFAOYSA-N 0 3 257.352 3.443 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCOC1 ZINC000047698639 397634219 /nfs/dbraw/zinc/63/42/19/397634219.db2.gz KRNSSOUGSKFPGB-LLVKDONJSA-N 0 3 271.813 3.426 20 30 CGEDHN N#CC(C(=O)c1cncc(F)c1)c1ccc2ccccc2n1 ZINC000675268606 543324550 /nfs/dbraw/zinc/32/45/50/543324550.db2.gz UIENTABKEPYLSR-AWEZNQCLSA-N 0 3 291.285 3.259 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000678235334 543498977 /nfs/dbraw/zinc/49/89/77/543498977.db2.gz QZFQELUOJBJARH-QGZVFWFLSA-N 0 3 297.402 3.285 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000120918890 286247332 /nfs/dbraw/zinc/24/73/32/286247332.db2.gz YMKUQGRPGBHLOE-IAGOWNOFSA-N 0 3 284.403 3.338 20 30 CGEDHN C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000336078045 287067119 /nfs/dbraw/zinc/06/71/19/287067119.db2.gz XASDLPKEQFMNEW-ACJLOTCBSA-N 0 3 294.402 3.410 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CC#N)CC1 ZINC000335978643 287130676 /nfs/dbraw/zinc/13/06/76/287130676.db2.gz NYFVTUMXTKOMLD-ZDUSSCGKSA-N 0 3 253.349 3.245 20 30 CGEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccco1 ZINC000035701940 172369200 /nfs/dbraw/zinc/36/92/00/172369200.db2.gz FDQUFIXIVVYOHU-UHFFFAOYSA-N 0 3 270.332 3.052 20 30 CGEDHN Cc1cc(C)cc(CNCc2cccc(C#N)c2)c1 ZINC000038076773 174087711 /nfs/dbraw/zinc/08/77/11/174087711.db2.gz RQQFKGDQLZIGHV-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000679576541 543648008 /nfs/dbraw/zinc/64/80/08/543648008.db2.gz OZUBLQONYNFYDF-ZDUSSCGKSA-N 0 3 251.345 3.296 20 30 CGEDHN CCCCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000680617716 543719838 /nfs/dbraw/zinc/71/98/38/543719838.db2.gz ZBSWBAOANCYSPQ-OAHLLOKOSA-N 0 3 279.343 3.309 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000334693953 225275990 /nfs/dbraw/zinc/27/59/90/225275990.db2.gz SLKOGGNCUQYYBC-ZWNOBZJWSA-N 0 3 250.292 3.137 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000681472108 543789345 /nfs/dbraw/zinc/78/93/45/543789345.db2.gz MRJQDDUVDLYUEY-MRXNPFEDSA-N 0 3 279.811 3.456 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000334655967 225259575 /nfs/dbraw/zinc/25/95/75/225259575.db2.gz YFXIYKYOMUVEDA-CQSZACIVSA-N 0 3 290.366 3.398 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2c[nH]nc21 ZINC000131175594 287372312 /nfs/dbraw/zinc/37/23/12/287372312.db2.gz WNKCBYBHMXNGAO-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C=CCCN(C)Cc1cc2ccccc2nc1OC ZINC000682436332 543846306 /nfs/dbraw/zinc/84/63/06/543846306.db2.gz HTTZFXZCFKSINJ-UHFFFAOYSA-N 0 3 256.349 3.251 20 30 CGEDHN C=CCOCCN[C@@H](C)c1nccc2ccccc21 ZINC000685653719 544092537 /nfs/dbraw/zinc/09/25/37/544092537.db2.gz MVDNYHXNYVYUKT-ZDUSSCGKSA-N 0 3 256.349 3.088 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000336425843 227002341 /nfs/dbraw/zinc/00/23/41/227002341.db2.gz FVQUHJRHOYDVEV-LLVKDONJSA-N 0 3 274.751 3.115 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCCCCC)cc1 ZINC000658335449 418940956 /nfs/dbraw/zinc/94/09/56/418940956.db2.gz YKYBZYZGMRFPMG-GDBMZVCRSA-N 0 3 277.408 3.453 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000659019953 418957328 /nfs/dbraw/zinc/95/73/28/418957328.db2.gz VOLWCLFXLUTVKM-AWEZNQCLSA-N 0 3 287.407 3.226 20 30 CGEDHN C=CCCn1cc(CN2CCCC[C@@H]2[C@H](C)CC)nn1 ZINC000653558650 419047755 /nfs/dbraw/zinc/04/77/55/419047755.db2.gz NFTXHGKIGCQYHU-GDBMZVCRSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCCC[C@@H]2C(C)C)nn1 ZINC000653615332 419061500 /nfs/dbraw/zinc/06/15/00/419061500.db2.gz CPRPECQXZGQCBY-CVEARBPZSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](C(C)C)C2)nn1 ZINC000657353430 419257372 /nfs/dbraw/zinc/25/73/72/419257372.db2.gz NCJQOJSTIKHJBA-LSDHHAIUSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCCn1cc(CNCC(C)(C)Cc2ccccc2)nn1 ZINC000657367387 419261417 /nfs/dbraw/zinc/26/14/17/419261417.db2.gz SYLUMHIWJGFORU-UHFFFAOYSA-N 0 3 298.434 3.213 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)Cc2cc(C)cc(C)c2)nn1 ZINC000657377929 419264033 /nfs/dbraw/zinc/26/40/33/419264033.db2.gz SBEBEEVOKIUEGW-INIZCTEOSA-N 0 3 298.434 3.192 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)[C@H]1CC1(F)F ZINC000666444926 419218128 /nfs/dbraw/zinc/21/81/28/419218128.db2.gz MEQCZDKPVKCMKJ-DGCLKSJQSA-N 0 3 267.319 3.385 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(N)c2ccccc2n1 ZINC000661117585 419231717 /nfs/dbraw/zinc/23/17/17/419231717.db2.gz SFXRZOYIBGZCQG-ZFWWWQNUSA-N 0 3 296.418 3.437 20 30 CGEDHN C=CCC[C@H](CO)NCc1cc2cccc(CC)c2o1 ZINC000657484142 419290361 /nfs/dbraw/zinc/29/03/61/419290361.db2.gz CWNVWYDYFJBRRH-OAHLLOKOSA-N 0 3 273.376 3.412 20 30 CGEDHN C=CCN(CC(=O)N(C)[C@H](C)c1ccccc1)C(C)(C)C ZINC000661755698 419294958 /nfs/dbraw/zinc/29/49/58/419294958.db2.gz OUBHOCFXUXIFFI-OAHLLOKOSA-N 0 3 288.435 3.493 20 30 CGEDHN C=CCN(CC(=O)N(C)C1CCCCC1)C(C)(C)C ZINC000661755441 419295423 /nfs/dbraw/zinc/29/54/23/419295423.db2.gz MNLWPVGRJGTWGN-UHFFFAOYSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCC1(NCC(=O)Nc2ccccc2F)CCCC1 ZINC000661847866 419304486 /nfs/dbraw/zinc/30/44/86/419304486.db2.gz DYENCCIJLBENRE-UHFFFAOYSA-N 0 3 276.355 3.243 20 30 CGEDHN C=CCCC1(CNCc2ccc(CO)o2)CCCC1 ZINC000657567231 419307335 /nfs/dbraw/zinc/30/73/35/419307335.db2.gz NADXZFYANNVETO-UHFFFAOYSA-N 0 3 263.381 3.388 20 30 CGEDHN C=CCC1(NCc2cc(F)c(F)cc2F)CCOCC1 ZINC000657633405 419317051 /nfs/dbraw/zinc/31/70/51/419317051.db2.gz OCMOFOGDPUGHMB-UHFFFAOYSA-N 0 3 285.309 3.319 20 30 CGEDHN C=C(C)COCCNCc1cc2c(cccc2C)[nH]1 ZINC000657399194 419270315 /nfs/dbraw/zinc/27/03/15/419270315.db2.gz PVUBHPSFTLRWCT-UHFFFAOYSA-N 0 3 258.365 3.159 20 30 CGEDHN C=CCOCCCNCc1cnc(C2CCC2)s1 ZINC000657658346 419320453 /nfs/dbraw/zinc/32/04/53/419320453.db2.gz SRIOCYRYOJQXOU-UHFFFAOYSA-N 0 3 266.410 3.093 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000336191099 228209289 /nfs/dbraw/zinc/20/92/89/228209289.db2.gz OZZVTXIOEJUMNL-DGCLKSJQSA-N 0 3 276.767 3.033 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662629999 419471539 /nfs/dbraw/zinc/47/15/39/419471539.db2.gz GMGZJCADWZXELR-WMLDXEAASA-N 0 3 284.403 3.036 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncccc1N(C)C ZINC000658018881 419496818 /nfs/dbraw/zinc/49/68/18/419496818.db2.gz HSRICZVKVZWUAH-GJZGRUSLSA-N 0 3 273.424 3.372 20 30 CGEDHN C=CCOCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000658207750 419660960 /nfs/dbraw/zinc/66/09/60/419660960.db2.gz WVJJHZRIDZHGEY-OAHLLOKOSA-N 0 3 277.412 3.213 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cnn(C(C)C)c1C ZINC000658208170 419661407 /nfs/dbraw/zinc/66/14/07/419661407.db2.gz YKIZPTDHQVGNCZ-CYBMUJFWSA-N 0 3 265.401 3.016 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1ccccc1CN(C)C ZINC000521382559 260092204 /nfs/dbraw/zinc/09/22/04/260092204.db2.gz AHYCVPXCTLJAFY-UHFFFAOYSA-N 0 3 272.392 3.455 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000448316502 261109413 /nfs/dbraw/zinc/10/94/13/261109413.db2.gz VXAIBSWGAGECFM-GOSISDBHSA-N 0 3 298.430 3.242 20 30 CGEDHN C=CCSCCNCc1ccccc1Br ZINC000105462419 261359259 /nfs/dbraw/zinc/35/92/59/261359259.db2.gz VFGSGXASNGFNHR-UHFFFAOYSA-N 0 3 286.238 3.458 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Br)s2)C1 ZINC000336598900 261484440 /nfs/dbraw/zinc/48/44/40/261484440.db2.gz LZRWGLSMFWFNRP-BDAKNGLRSA-N 0 3 285.210 3.292 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2cccc(Cl)c2)C1 ZINC000185791536 262071448 /nfs/dbraw/zinc/07/14/48/262071448.db2.gz SKZDFTNOBYBQCQ-TZMCWYRMSA-N 0 3 278.783 3.391 20 30 CGEDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c([O-])c1 ZINC000185986396 262074421 /nfs/dbraw/zinc/07/44/21/262074421.db2.gz ZGIGTARBHDSINU-CQSZACIVSA-N 0 3 296.370 3.454 20 30 CGEDHN CC1(C)CCC[C@@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000191856168 262195951 /nfs/dbraw/zinc/19/59/51/262195951.db2.gz XAXGWNZIXAXULU-INIZCTEOSA-N 0 3 299.418 3.102 20 30 CGEDHN CCOc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1OC ZINC000192865254 262212379 /nfs/dbraw/zinc/21/23/79/262212379.db2.gz LNKFGRKLMTYMEX-UKRRQHHQSA-N 0 3 288.391 3.266 20 30 CGEDHN C#CCOc1ccccc1CNCCc1cccs1 ZINC000020091080 262228409 /nfs/dbraw/zinc/22/84/09/262228409.db2.gz HUSXAAZAYJIMDS-UHFFFAOYSA-N 0 3 271.385 3.092 20 30 CGEDHN C=CC[C@H](CC)NCc1ccc(Br)cn1 ZINC000336768162 262245673 /nfs/dbraw/zinc/24/56/73/262245673.db2.gz TYEUGHWFCGVKPJ-NSHDSACASA-N 0 3 269.186 3.288 20 30 CGEDHN C=CCN(CC[C@@H]1CCCO1)Cc1cccs1 ZINC000188592327 262321894 /nfs/dbraw/zinc/32/18/94/262321894.db2.gz GQYRSSUFLIQSEH-ZDUSSCGKSA-N 0 3 251.395 3.305 20 30 CGEDHN CCCCCCCN[C@@H](C)c1nnc2ccccn21 ZINC000059427225 262388685 /nfs/dbraw/zinc/38/86/85/262388685.db2.gz ISIVHEQPCVBKKU-ZDUSSCGKSA-N 0 3 260.385 3.350 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(CSC)s1 ZINC000339385097 262636088 /nfs/dbraw/zinc/63/60/88/262636088.db2.gz LHIMAFGYFOZOOJ-RISCZKNCSA-N 0 3 298.477 3.077 20 30 CGEDHN CCOCCN(CC)CCC1(C#N)CCCCC1 ZINC000411282514 262686643 /nfs/dbraw/zinc/68/66/43/262686643.db2.gz VAPJDDFMTOTZPN-UHFFFAOYSA-N 0 3 252.402 3.209 20 30 CGEDHN Cc1nc2c(s1)[C@@H](NCC(C)(C)CC#N)CCC2 ZINC000414162186 262819134 /nfs/dbraw/zinc/81/91/34/262819134.db2.gz GRCQDDANERJRIP-NSHDSACASA-N 0 3 263.410 3.358 20 30 CGEDHN CC[C@H](NCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000272011081 263001073 /nfs/dbraw/zinc/00/10/73/263001073.db2.gz KJAUVBWVPUKZRU-AWEZNQCLSA-N 0 3 288.391 3.438 20 30 CGEDHN N#CCCCCNCc1cc(Cl)cc2c1OCC2 ZINC000272830524 263008898 /nfs/dbraw/zinc/00/88/98/263008898.db2.gz LAHWJTJICLFECV-UHFFFAOYSA-N 0 3 264.756 3.058 20 30 CGEDHN CC(C)NC(=O)Nc1ccc([C@H](C)NCCCC#N)cc1 ZINC000273299963 263015033 /nfs/dbraw/zinc/01/50/33/263015033.db2.gz UMNFDEWLWSJNQC-ZDUSSCGKSA-N 0 3 288.395 3.171 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2Cn2ccnc2)C1 ZINC000278159363 263045568 /nfs/dbraw/zinc/04/55/68/263045568.db2.gz BGOFIAJVJSBANY-YJBOKZPZSA-N 0 3 294.402 3.103 20 30 CGEDHN C#CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000278768430 263050825 /nfs/dbraw/zinc/05/08/25/263050825.db2.gz PBCGUUKHIQDKPD-XIRDDKMYSA-N 0 3 252.361 3.423 20 30 CGEDHN N#CC1(CCCN2CCc3ccccc3C2)CCOCC1 ZINC000281930208 263073023 /nfs/dbraw/zinc/07/30/23/263073023.db2.gz HZCNSNGRVNKBAF-UHFFFAOYSA-N 0 3 284.403 3.145 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](CC)c2cccc(Cl)c2)C1=O ZINC000282129044 263074571 /nfs/dbraw/zinc/07/45/71/263074571.db2.gz YNHQBBFBKSYWAC-LSDHHAIUSA-N 0 3 292.810 3.168 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000282260643 263075414 /nfs/dbraw/zinc/07/54/14/263075414.db2.gz JYOGNNHNXKQTDK-LPGAHRBXSA-N 0 3 292.329 3.077 20 30 CGEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ccc(F)cn1 ZINC000282284783 263075623 /nfs/dbraw/zinc/07/56/23/263075623.db2.gz LFLFHXCAEQNRNK-PNESKVBLSA-N 0 3 261.344 3.201 20 30 CGEDHN Cc1ccc2nc(CNCC3CCC(C#N)CC3)cn2c1 ZINC000283909240 263084752 /nfs/dbraw/zinc/08/47/52/263084752.db2.gz KKNJIVVJMWPQES-UHFFFAOYSA-N 0 3 282.391 3.062 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)CCC1(F)F ZINC000289792960 263112080 /nfs/dbraw/zinc/11/20/80/263112080.db2.gz MKBRGHRNXSANLL-GFCCVEGCSA-N 0 3 280.318 3.066 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1cccc(C)c1 ZINC000340409398 263136889 /nfs/dbraw/zinc/13/68/89/263136889.db2.gz WPNXMOGTLHWFLK-GOSISDBHSA-N 0 3 298.430 3.333 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](c3ccccc3F)C2)C1 ZINC000293133405 263138074 /nfs/dbraw/zinc/13/80/74/263138074.db2.gz PVLJQYAEVBAYMY-MGPQQGTHSA-N 0 3 258.340 3.307 20 30 CGEDHN CN(Cc1ccccc1N1CCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293355144 263139492 /nfs/dbraw/zinc/13/94/92/263139492.db2.gz DVQKUPMPJHUIGW-NVXWUHKLSA-N 0 3 283.419 3.411 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000293579907 263143546 /nfs/dbraw/zinc/14/35/46/263143546.db2.gz SZZDEKZVTCXZPY-JLSDUUJJSA-N 0 3 284.403 3.124 20 30 CGEDHN CN(CCOCCC#N)Cc1csc2ccccc12 ZINC000293610145 263144480 /nfs/dbraw/zinc/14/44/80/263144480.db2.gz VMVDYOYDDRSTFG-UHFFFAOYSA-N 0 3 274.389 3.263 20 30 CGEDHN C[C@H](C#N)Oc1ccccc1NC1CCN(C2CC2)CC1 ZINC000297634862 263207182 /nfs/dbraw/zinc/20/71/82/263207182.db2.gz MGKHAVGULGMVFG-CYBMUJFWSA-N 0 3 285.391 3.016 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000297716330 263208663 /nfs/dbraw/zinc/20/86/63/263208663.db2.gz BFKPFKJHEUONOT-WBVHZDCISA-N 0 3 265.360 3.239 20 30 CGEDHN CN(C)c1ccc(CN(CCCC#N)C2CC2)cc1 ZINC000298710634 263224731 /nfs/dbraw/zinc/22/47/31/263224731.db2.gz KECCSKMHRBKLDZ-UHFFFAOYSA-N 0 3 257.381 3.021 20 30 CGEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(-n2cccn2)cc1 ZINC000298861740 263226953 /nfs/dbraw/zinc/22/69/53/263226953.db2.gz JBFQFZDDJRFYNM-UONOGXRCSA-N 0 3 268.364 3.215 20 30 CGEDHN COc1ccc([C@H](N[C@@H](C)CCC#N)C2CC2)cc1 ZINC000299103144 263230388 /nfs/dbraw/zinc/23/03/88/263230388.db2.gz VAKVYGJHXOHBES-BLLLJJGKSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000341889581 263363846 /nfs/dbraw/zinc/36/38/46/263363846.db2.gz RWTODDRUFCCJAH-GDBMZVCRSA-N 0 3 287.403 3.207 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCC[C@H]1SCC ZINC000189522341 264304308 /nfs/dbraw/zinc/30/43/08/264304308.db2.gz FCVIGDGAHHZOSF-HUUCEWRRSA-N 0 3 298.496 3.065 20 30 CGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000424890281 264340751 /nfs/dbraw/zinc/34/07/51/264340751.db2.gz YCKGVYZUJLQJQF-UHFFFAOYSA-N 0 3 278.371 3.428 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000076735952 264342986 /nfs/dbraw/zinc/34/29/86/264342986.db2.gz SHRZJVGQNOJCTO-ZDUSSCGKSA-N 0 3 278.371 3.359 20 30 CGEDHN C=CCOCCN1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425480870 264349038 /nfs/dbraw/zinc/34/90/38/264349038.db2.gz RFXOZTXIBMDIQP-HNNXBMFYSA-N 0 3 297.439 3.165 20 30 CGEDHN COCC[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180561 264392105 /nfs/dbraw/zinc/39/21/05/264392105.db2.gz JREWKINDJIWQAF-GFCCVEGCSA-N 0 3 285.309 3.072 20 30 CGEDHN CCN(C)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000359964314 266102901 /nfs/dbraw/zinc/10/29/01/266102901.db2.gz SKBASHVGOWEHSQ-AWEZNQCLSA-N 0 3 294.402 3.260 20 30 CGEDHN C=CCN(CC=C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000357557654 266325016 /nfs/dbraw/zinc/32/50/16/266325016.db2.gz IHNYNDSKDPTWQL-UHFFFAOYSA-N 0 3 285.343 3.393 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000357805220 266368289 /nfs/dbraw/zinc/36/82/89/266368289.db2.gz AIXNHCKQRJVKIM-MRXNPFEDSA-N 0 3 292.382 3.418 20 30 CGEDHN CC(C)(CCC#N)CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367701033 267110687 /nfs/dbraw/zinc/11/06/87/267110687.db2.gz JUQVYUBTHZLMDN-ZDUSSCGKSA-N 0 3 292.345 3.096 20 30 CGEDHN C=CCCCCCN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369319115 267235498 /nfs/dbraw/zinc/23/54/98/267235498.db2.gz KKFRDEOAJVFLFV-XHSDSOJGSA-N 0 3 267.413 3.001 20 30 CGEDHN COc1ccc(CC[C@H](C)NCC2(C#N)CCC2)cc1 ZINC000418141751 267364145 /nfs/dbraw/zinc/36/41/45/267364145.db2.gz LRQLUDTWHAKFDQ-AWEZNQCLSA-N 0 3 272.392 3.300 20 30 CGEDHN COC(=O)CCC[C@@H]1CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000418145877 267366054 /nfs/dbraw/zinc/36/60/54/267366054.db2.gz ZCGYULFJCJXKCQ-GJZGRUSLSA-N 0 3 292.423 3.172 20 30 CGEDHN COC(=O)CCC[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418145879 267366905 /nfs/dbraw/zinc/36/69/05/267366905.db2.gz ZCGYULFJCJXKCQ-LSDHHAIUSA-N 0 3 292.423 3.172 20 30 CGEDHN N#CCCCCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120163180 267389042 /nfs/dbraw/zinc/38/90/42/267389042.db2.gz KIGACLJMUPNIEP-HNNXBMFYSA-N 0 3 278.783 3.487 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccc(C#N)cc1Cl ZINC000528757760 270171316 /nfs/dbraw/zinc/17/13/16/270171316.db2.gz FVDQOPJLJWBGTL-JNIYBQFBSA-N 0 3 278.783 3.113 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000348173121 273483906 /nfs/dbraw/zinc/48/39/06/273483906.db2.gz UVDSOZDJVBNDOD-CABCVRRESA-N 0 3 298.430 3.251 20 30 CGEDHN CCC1([NH2+]CC(=O)[N-]c2oc(C)c(C)c2C#N)CCCC1 ZINC000295178902 273602829 /nfs/dbraw/zinc/60/28/29/273602829.db2.gz HVARTTWAVMEHHL-UHFFFAOYSA-N 0 3 289.379 3.019 20 30 CGEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H](C)N1C ZINC000135267278 274362849 /nfs/dbraw/zinc/36/28/49/274362849.db2.gz GQGMHUGKWDYZFT-GHMZBOCLSA-N 0 3 297.324 3.106 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414594806 274923024 /nfs/dbraw/zinc/92/30/24/274923024.db2.gz SPVAMDAHOFQZQC-KRWDZBQOSA-N 0 3 295.361 3.066 20 30 CGEDHN C=C(C)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192039405 275418025 /nfs/dbraw/zinc/41/80/25/275418025.db2.gz ZTUZGIQRANAUIY-UONOGXRCSA-N 0 3 251.757 3.336 20 30 CGEDHN CCN(CC)[C@H](CNc1nc(C)ccc1C#N)c1ccco1 ZINC000160883624 276119545 /nfs/dbraw/zinc/11/95/45/276119545.db2.gz QLIWHDIRTCMDTA-OAHLLOKOSA-N 0 3 298.390 3.350 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000339528047 277635965 /nfs/dbraw/zinc/63/59/65/277635965.db2.gz MGUFOBMULTXLQL-AWEZNQCLSA-N 0 3 298.308 3.092 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)s1 ZINC000414496723 277771048 /nfs/dbraw/zinc/77/10/48/277771048.db2.gz RLFBDYDIUCCNSO-CVEARBPZSA-N 0 3 284.384 3.022 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000268136907 277822604 /nfs/dbraw/zinc/82/26/04/277822604.db2.gz BOUKQGWIWZOFFU-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3c(O)cccc32)C1 ZINC000332079158 279490111 /nfs/dbraw/zinc/49/01/11/279490111.db2.gz ZXQVBSYOWFGIHV-ZOWXZIJZSA-N 0 3 256.349 3.051 20 30 CGEDHN CC[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(C#N)cc1 ZINC000278157095 280194326 /nfs/dbraw/zinc/19/43/26/280194326.db2.gz AXIAPCACSZZSOO-IAGOWNOFSA-N 0 3 294.402 3.410 20 30 CGEDHN CC[C@]1(CO)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000187554200 281346402 /nfs/dbraw/zinc/34/64/02/281346402.db2.gz QGQYPCJSZJQJJF-YOEHRIQHSA-N 0 3 272.392 3.104 20 30 CGEDHN N#Cc1cc(Cl)ccc1CN[C@H](CO)C1CCCCC1 ZINC000547831162 288979310 /nfs/dbraw/zinc/97/93/10/288979310.db2.gz MNHBNKKNFYUEFF-MRXNPFEDSA-N 0 3 292.810 3.242 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cn1)[C@@H](C)c1ccccc1 ZINC000554358525 289274083 /nfs/dbraw/zinc/27/40/83/289274083.db2.gz HREFSQVOSDYXTP-ZIAGYGMSSA-N 0 3 265.360 3.235 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554366086 289275951 /nfs/dbraw/zinc/27/59/51/289275951.db2.gz XFEQHMSSXFRQAN-HZPDHXFCSA-N 0 3 287.407 3.027 20 30 CGEDHN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000271851442 290035494 /nfs/dbraw/zinc/03/54/94/290035494.db2.gz ITGGWWYGFQDFSR-KBXCAEBGSA-N 0 3 280.371 3.333 20 30 CGEDHN CCN(CC)[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185803369 327845645 /nfs/dbraw/zinc/84/56/45/327845645.db2.gz AAIHZLMERPEQCC-XHSDSOJGSA-N 0 3 289.423 3.334 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](CC)c1ccccc1OC ZINC000320344516 328005650 /nfs/dbraw/zinc/00/56/50/328005650.db2.gz DFMNWNYDAPZQMA-HIFRSBDPSA-N 0 3 263.381 3.063 20 30 CGEDHN Cc1cnn([C@@H]2CCN(CCC3(C#N)CCCCC3)C2)c1 ZINC000411746605 328098574 /nfs/dbraw/zinc/09/85/74/328098574.db2.gz OVZMGFZGEJFVQA-MRXNPFEDSA-N 0 3 286.423 3.303 20 30 CGEDHN CCCCCCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171442677 329075820 /nfs/dbraw/zinc/07/58/20/329075820.db2.gz CRFJADABHXPTQS-OAHLLOKOSA-N 0 3 266.429 3.044 20 30 CGEDHN C[C@H](N[C@@H]1CSC1(C)C)c1ccc(OCC#N)cc1 ZINC000283499106 328117433 /nfs/dbraw/zinc/11/74/33/328117433.db2.gz YRGSMTFFZJOFND-SMDDNHRTSA-N 0 3 276.405 3.134 20 30 CGEDHN C=CCCCCN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000571612059 328137607 /nfs/dbraw/zinc/13/76/07/328137607.db2.gz FUPFVYLNTLXSDH-CQSZACIVSA-N 0 3 270.380 3.274 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc([S@](C)=O)cc1 ZINC000278863256 328231496 /nfs/dbraw/zinc/23/14/96/328231496.db2.gz WMSBNSPLFYNTPT-UYVPSMGWSA-N 0 3 290.432 3.157 20 30 CGEDHN N#Cc1cccc(CCNCc2ccc(F)cc2F)c1 ZINC000574570055 322447047 /nfs/dbraw/zinc/44/70/47/322447047.db2.gz SFDYARUKAHGHQG-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN C=CC[C@@H](CO)CNCc1nc(-c2ccccc2)cs1 ZINC000341261238 328405577 /nfs/dbraw/zinc/40/55/77/328405577.db2.gz NOGHDRVYICMWFO-CYBMUJFWSA-N 0 3 288.416 3.084 20 30 CGEDHN C=C(C)CN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000291844633 328535361 /nfs/dbraw/zinc/53/53/61/328535361.db2.gz OSYLUPZRSPZSBH-SFHVURJKSA-N 0 3 289.419 3.407 20 30 CGEDHN CCc1ccc([C@H](CNCCC#N)N(CC)CC)cc1 ZINC000584108463 326973590 /nfs/dbraw/zinc/97/35/90/326973590.db2.gz FVERBMZNKWYYMQ-KRWDZBQOSA-N 0 3 273.424 3.135 20 30 CGEDHN C[C@H]1SCCN(Cc2ccc(CC#N)cc2)[C@H]1C ZINC000343550840 327033192 /nfs/dbraw/zinc/03/31/92/327033192.db2.gz LJTSMXSEEDKCKX-QWHCGFSZSA-N 0 3 260.406 3.078 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1ccc(OC)cc1 ZINC000090883530 327101695 /nfs/dbraw/zinc/10/16/95/327101695.db2.gz HWDWNOJKCMSBEW-MRXNPFEDSA-N 0 3 263.381 3.329 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1cc2ccccc2n(C)c1=O ZINC000569468715 327182196 /nfs/dbraw/zinc/18/21/96/327182196.db2.gz HSOSBDYVLCFCDF-MRXNPFEDSA-N 0 3 282.387 3.079 20 30 CGEDHN C=CCNC(=O)CN(CC(C)C)[C@H](C)c1ccccc1C ZINC000560184830 327288681 /nfs/dbraw/zinc/28/86/81/327288681.db2.gz SZTAUBOECQYVEV-MRXNPFEDSA-N 0 3 288.435 3.316 20 30 CGEDHN C#Cc1ccc(CN2CCC(c3c[nH]nc3C)CC2)cc1 ZINC000377623319 329021290 /nfs/dbraw/zinc/02/12/90/329021290.db2.gz HURQEWRQCXLDDC-UHFFFAOYSA-N 0 3 279.387 3.079 20 30 CGEDHN C=C(C)CN1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000177371428 329185894 /nfs/dbraw/zinc/18/58/94/329185894.db2.gz DEZSSMDIMJKQJY-UHFFFAOYSA-N 0 3 290.407 3.156 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000182152930 329240325 /nfs/dbraw/zinc/24/03/25/329240325.db2.gz VMEFVAFMJBAOHO-HNNXBMFYSA-N 0 3 279.355 3.222 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000184095395 329256097 /nfs/dbraw/zinc/25/60/97/329256097.db2.gz SUGIAEJHDQAHEY-UAGQMJEPSA-N 0 3 271.408 3.104 20 30 CGEDHN CCC(CC)N(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000582986756 329294136 /nfs/dbraw/zinc/29/41/36/329294136.db2.gz BNIFNEREZQNTOE-UHFFFAOYSA-N 0 3 293.455 3.182 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3c(c2)OCCCO3)C1 ZINC000185811780 329329609 /nfs/dbraw/zinc/32/96/09/329329609.db2.gz CGLHYSPTWOGPOI-UKRRQHHQSA-N 0 3 286.375 3.020 20 30 CGEDHN CCC1(CC)[C@H](NCC#Cc2ccccc2)C[C@@H]1OC ZINC000429298692 329413925 /nfs/dbraw/zinc/41/39/25/329413925.db2.gz FPOVFVNPDZJZNU-SJORKVTESA-N 0 3 271.404 3.221 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(Cl)cc1 ZINC000123813686 329563333 /nfs/dbraw/zinc/56/33/33/329563333.db2.gz UPGJQDLHLJISAL-BXUZGUMPSA-N 0 3 280.799 3.071 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000253354706 329962474 /nfs/dbraw/zinc/96/24/74/329962474.db2.gz HYRGRWHNNRWQQM-UXIGCNINSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000079324093 330022180 /nfs/dbraw/zinc/02/21/80/330022180.db2.gz WDPUWIMJAARMPH-JKSUJKDBSA-N 0 3 286.419 3.235 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(OC)c(C)c1 ZINC000273001006 330090174 /nfs/dbraw/zinc/09/01/74/330090174.db2.gz XPRYVCRBCREVAC-CQSZACIVSA-N 0 3 263.381 3.247 20 30 CGEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000191295406 330137354 /nfs/dbraw/zinc/13/73/54/330137354.db2.gz TXQNAGSAFMEHRN-KPZWWZAWSA-N 0 3 297.377 3.449 20 30 CGEDHN C=CCCCN(C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423212087 330177961 /nfs/dbraw/zinc/17/79/61/330177961.db2.gz LOAGNOOGULCPPC-OAHLLOKOSA-N 0 3 274.408 3.137 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(Cl)c1F ZINC000424168322 330310117 /nfs/dbraw/zinc/31/01/17/330310117.db2.gz GARBZTUIZVTYKZ-GWCFXTLKSA-N 0 3 269.747 3.160 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000424171424 330311363 /nfs/dbraw/zinc/31/13/63/330311363.db2.gz KSDQUBFZLILSCU-JURCDPSOSA-N 0 3 261.365 3.084 20 30 CGEDHN C=CCn1cc(CNCC2CCC(C(C)C)CC2)nn1 ZINC000424174865 330315305 /nfs/dbraw/zinc/31/53/05/330315305.db2.gz SLAFTQQXRVZYHI-UHFFFAOYSA-N 0 3 276.428 3.016 20 30 CGEDHN N#CCCCOc1cccc(CN[C@@H]2CC23CC3)c1 ZINC000424182723 330319948 /nfs/dbraw/zinc/31/99/48/330319948.db2.gz HHVMZNPLTJKLDA-OAHLLOKOSA-N 0 3 256.349 3.011 20 30 CGEDHN C=CCCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000533046159 330326165 /nfs/dbraw/zinc/32/61/65/330326165.db2.gz LSJSQNJCHAWWBF-UHFFFAOYSA-N 0 3 278.371 3.441 20 30 CGEDHN C=CCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000533100473 330335432 /nfs/dbraw/zinc/33/54/32/330335432.db2.gz HZBXHURFQBTHRM-GFCCVEGCSA-N 0 3 251.757 3.369 20 30 CGEDHN COCCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424321663 330340262 /nfs/dbraw/zinc/34/02/62/330340262.db2.gz HMPWSWMNHVVMPQ-OFQRWUPVSA-N 0 3 288.391 3.055 20 30 CGEDHN C[C@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000424331253 330342248 /nfs/dbraw/zinc/34/22/48/330342248.db2.gz RXAZXMULHWUSLO-FNNPODNZSA-N 0 3 258.340 3.341 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000424334444 330343095 /nfs/dbraw/zinc/34/30/95/330343095.db2.gz VOANGXYDJSISKF-JGGQBBKZSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CC1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000093359267 330419580 /nfs/dbraw/zinc/41/95/80/330419580.db2.gz KEDYLSWYPHOOJR-UHFFFAOYSA-N 0 3 275.392 3.410 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(C(C)C)s1 ZINC000435734976 330661211 /nfs/dbraw/zinc/66/12/11/330661211.db2.gz ZOWZACZSWBYTGB-SWLSCSKDSA-N 0 3 280.437 3.337 20 30 CGEDHN CSCc1cc(F)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442778316 330782425 /nfs/dbraw/zinc/78/24/25/330782425.db2.gz BJMDLZKREJEILC-ABAIWWIYSA-N 0 3 278.396 3.471 20 30 CGEDHN CCCCCn1cc(CN[C@@H]2CC[C@@H](C#N)C2)c(C)n1 ZINC000442829537 330785698 /nfs/dbraw/zinc/78/56/98/330785698.db2.gz PNGPHWQFIXXTSJ-GDBMZVCRSA-N 0 3 274.412 3.164 20 30 CGEDHN Cc1cc(C(F)(F)F)ccc1CNCCCC#N ZINC000442997013 330792539 /nfs/dbraw/zinc/79/25/39/330792539.db2.gz IRPQJBLDTQGLDP-UHFFFAOYSA-N 0 3 256.271 3.407 20 30 CGEDHN C=CCSCCNCc1ccc(C)cc1OC ZINC000449133285 330901046 /nfs/dbraw/zinc/90/10/46/330901046.db2.gz XVVGXFUWMQSRDU-UHFFFAOYSA-N 0 3 251.395 3.012 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)cc1F ZINC000449548402 330935676 /nfs/dbraw/zinc/93/56/76/330935676.db2.gz NBRZSBRLIFWYRT-KGLIPLIRSA-N 0 3 269.747 3.302 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(C)C)nc1CC ZINC000451614201 331037042 /nfs/dbraw/zinc/03/70/42/331037042.db2.gz PRSOACIDYIFCHE-SJORKVTESA-N 0 3 274.408 3.201 20 30 CGEDHN CC[C@H]1CN(CC)CCN1Cc1ccccc1C(C)(C)C#N ZINC000451729079 331040439 /nfs/dbraw/zinc/04/04/39/331040439.db2.gz IXIJSEUJNAITTE-KRWDZBQOSA-N 0 3 299.462 3.404 20 30 CGEDHN COC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000452081392 331053229 /nfs/dbraw/zinc/05/32/29/331053229.db2.gz JTEPXBBAKVTKQM-MRXNPFEDSA-N 0 3 291.822 3.440 20 30 CGEDHN C=CC(C)(C)CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453308331 331114386 /nfs/dbraw/zinc/11/43/86/331114386.db2.gz NIXPOJADDJWIFA-LLVKDONJSA-N 0 3 299.411 3.092 20 30 CGEDHN C=C(C)CCN[C@H](c1ccccc1)c1cncnc1 ZINC000453309133 331114405 /nfs/dbraw/zinc/11/44/05/331114405.db2.gz DHIQIBDNYJCENA-MRXNPFEDSA-N 0 3 253.349 3.122 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1ccccc1OC ZINC000453334568 331118210 /nfs/dbraw/zinc/11/82/10/331118210.db2.gz DYYZQPZEJRDZPE-OAGGEKHMSA-N 0 3 275.392 3.470 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2ccc(OC)cc21 ZINC000453350095 331120604 /nfs/dbraw/zinc/12/06/04/331120604.db2.gz IVHBNHICXHLATL-ZACQAIPSSA-N 0 3 273.376 3.006 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000453369671 331123926 /nfs/dbraw/zinc/12/39/26/331123926.db2.gz RANKOBALZLJKHR-SNVBAGLBSA-N 0 3 254.761 3.360 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)cc1OC ZINC000453374862 331124648 /nfs/dbraw/zinc/12/46/48/331124648.db2.gz WZQJFASSSJBAKX-MAZHCROVSA-N 0 3 291.391 3.088 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000456777397 331203139 /nfs/dbraw/zinc/20/31/39/331203139.db2.gz QZSHTZUXSSSYPG-VNQPRFMTSA-N 0 3 270.376 3.236 20 30 CGEDHN C=C(CC)CNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000456829634 331206416 /nfs/dbraw/zinc/20/64/16/331206416.db2.gz OZJVXWZBNFJJCK-UHFFFAOYSA-N 0 3 286.419 3.367 20 30 CGEDHN COCC1(C#N)CCN(CC2CCC(F)(F)CC2)CC1 ZINC000459461378 331282696 /nfs/dbraw/zinc/28/26/96/331282696.db2.gz TWQWZMBJRUXKCW-UHFFFAOYSA-N 0 3 286.366 3.064 20 30 CGEDHN CC(C)(CC#N)CNCc1cc(F)c(F)c(F)c1 ZINC000459691613 331294656 /nfs/dbraw/zinc/29/46/56/331294656.db2.gz KRDXQFYWVXIWMP-UHFFFAOYSA-N 0 3 256.271 3.133 20 30 CGEDHN C=CCC[C@H](C)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459722276 331295848 /nfs/dbraw/zinc/29/58/48/331295848.db2.gz ZREKXHPIUJCNTH-VHRBIJSZSA-N 0 3 281.421 3.265 20 30 CGEDHN CC(C)(CC#N)CNCc1cc(O)cc(C(F)(F)F)c1 ZINC000459729789 331296370 /nfs/dbraw/zinc/29/63/70/331296370.db2.gz KUATZVJULGEVJY-UHFFFAOYSA-N 0 3 286.297 3.440 20 30 CGEDHN Cc1ncc(CNCC(C)(C)CC#N)n1-c1ccccc1 ZINC000459731243 331296488 /nfs/dbraw/zinc/29/64/88/331296488.db2.gz NBAAVSNFDLEELI-UHFFFAOYSA-N 0 3 282.391 3.210 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc3ccc(F)cc3n2)CC1 ZINC000462827751 331331671 /nfs/dbraw/zinc/33/16/71/331331671.db2.gz JNSDTNNCINTKIA-UHFFFAOYSA-N 0 3 299.393 3.248 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462876899 331333751 /nfs/dbraw/zinc/33/37/51/331333751.db2.gz YDZWDJNEKSURRJ-DAYGRLMNSA-N 0 3 288.435 3.266 20 30 CGEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)CC(C)(C)C ZINC000463370907 331346599 /nfs/dbraw/zinc/34/65/99/331346599.db2.gz VTBAHUAYSXBINW-UHFFFAOYSA-N 0 3 293.455 3.039 20 30 CGEDHN CO[C@H]1CCCC[C@H]1NCC#Cc1ccccc1Cl ZINC000483732016 331883366 /nfs/dbraw/zinc/88/33/66/331883366.db2.gz SXWGBBMDNQCCHQ-CVEARBPZSA-N 0 3 277.795 3.239 20 30 CGEDHN C#C[C@H](NCC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000491688985 332286420 /nfs/dbraw/zinc/28/64/20/332286420.db2.gz GAAVSRSSWWXZAG-WFASDCNBSA-N 0 3 263.768 3.031 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OCc2ccncc2)cc1 ZINC000491818569 332368951 /nfs/dbraw/zinc/36/89/51/332368951.db2.gz QVFFWAUNKICYPS-QGZVFWFLSA-N 0 3 280.371 3.162 20 30 CGEDHN CC#CCCNCc1ccccc1OCC(F)(F)F ZINC000499209574 332582495 /nfs/dbraw/zinc/58/24/95/332582495.db2.gz FBGABDFPSJCLHR-UHFFFAOYSA-N 0 3 271.282 3.131 20 30 CGEDHN C=CCNC(=O)CN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175434727 333024795 /nfs/dbraw/zinc/02/47/95/333024795.db2.gz TWGFTBXOTPJOKL-CHWSQXEVSA-N 0 3 294.826 3.066 20 30 CGEDHN C=CCCCCCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000517172160 333094075 /nfs/dbraw/zinc/09/40/75/333094075.db2.gz DYXRGBIZLVKMJQ-OAHLLOKOSA-N 0 3 295.448 3.185 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000185295476 333138325 /nfs/dbraw/zinc/13/83/25/333138325.db2.gz NYTXHXKQIMWWRW-RDJZCZTQSA-N 0 3 288.435 3.316 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000185521162 333142994 /nfs/dbraw/zinc/14/29/94/333142994.db2.gz FJUJNAFFEYPXOO-HZPDHXFCSA-N 0 3 288.435 3.225 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000185808527 333149514 /nfs/dbraw/zinc/14/95/14/333149514.db2.gz MCPYCFJGUZUKBK-CQSZACIVSA-N 0 3 294.464 3.241 20 30 CGEDHN C=CCN(CC[C@@H]1CCCO1)Cc1ccc(OC)cc1 ZINC000188850605 333174840 /nfs/dbraw/zinc/17/48/40/333174840.db2.gz QVLVMNYPLQYLEK-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOc1ccccc1CNCC[C@@H]1CCCCO1 ZINC000227339416 333281022 /nfs/dbraw/zinc/28/10/22/333281022.db2.gz NZOBKJXPLIEMAX-INIZCTEOSA-N 0 3 275.392 3.300 20 30 CGEDHN CCN(Cc1ccc(C(=O)N[C@@](C)(C#N)CC)cc1)C1CC1 ZINC000523071530 333306945 /nfs/dbraw/zinc/30/69/45/333306945.db2.gz QSULRIOZHPYMQU-GOSISDBHSA-N 0 3 299.418 3.093 20 30 CGEDHN C[C@@H]1c2c(F)cccc2CCN1CCCSCC#N ZINC000524791711 333388151 /nfs/dbraw/zinc/38/81/51/333388151.db2.gz MJHJJGNVHUARAI-GFCCVEGCSA-N 0 3 278.396 3.392 20 30 CGEDHN C=CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000524812218 333389490 /nfs/dbraw/zinc/38/94/90/333389490.db2.gz ZGVFWAVHQYZQPR-UHFFFAOYSA-N 0 3 250.773 3.038 20 30 CGEDHN CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000174408297 335153847 /nfs/dbraw/zinc/15/38/47/335153847.db2.gz ALGFDJZPHQCKQW-SWLSCSKDSA-N 0 3 276.380 3.082 20 30 CGEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000543507496 333877997 /nfs/dbraw/zinc/87/79/97/333877997.db2.gz AHHAZTKAGYMXLL-UKRRQHHQSA-N 0 3 277.795 3.096 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000076738495 334088308 /nfs/dbraw/zinc/08/83/08/334088308.db2.gz KDIQJYBRJXFTPX-AWEZNQCLSA-N 0 3 274.408 3.474 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)[C@H](CO)C(C)(C)C ZINC000135215167 334119722 /nfs/dbraw/zinc/11/97/22/334119722.db2.gz RIDVQEPFDFJMEJ-OAHLLOKOSA-N 0 3 279.811 3.030 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000548858572 334176626 /nfs/dbraw/zinc/17/66/26/334176626.db2.gz NLCHAJHBMYOUOO-HIFRSBDPSA-N 0 3 255.365 3.001 20 30 CGEDHN C=C(C)CCN1CCN(c2cncc3ccccc32)CC1 ZINC000549339001 334190265 /nfs/dbraw/zinc/19/02/65/334190265.db2.gz FTGBVBNAJMPSIB-UHFFFAOYSA-N 0 3 281.403 3.323 20 30 CGEDHN C=CCOCCN(C)Cc1ccc2ccccc2c1 ZINC000549346285 334190860 /nfs/dbraw/zinc/19/08/60/334190860.db2.gz ZCUNSXBQORCGDF-UHFFFAOYSA-N 0 3 255.361 3.474 20 30 CGEDHN Fc1ccc(C#CCN2CC[C@H](CC3CC3)C2)cc1 ZINC000550029144 334211620 /nfs/dbraw/zinc/21/16/20/334211620.db2.gz NZZOCEBASDNFLC-MRXNPFEDSA-N 0 3 257.352 3.299 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000090451309 334361456 /nfs/dbraw/zinc/36/14/56/334361456.db2.gz UVJRCDFOCZQGPQ-JTQLQIEISA-N 0 3 273.298 3.347 20 30 CGEDHN CCC(CC)(CCO)NCC#Cc1ccc(Cl)cc1 ZINC000554855810 334454624 /nfs/dbraw/zinc/45/46/24/334454624.db2.gz KKHZJRMEDMDSCV-UHFFFAOYSA-N 0 3 279.811 3.222 20 30 CGEDHN N#CCCC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000565717169 334590779 /nfs/dbraw/zinc/59/07/79/334590779.db2.gz YPKFNZHNBGTFJA-UHFFFAOYSA-N 0 3 270.376 3.137 20 30 CGEDHN N#CCc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000576634483 335228190 /nfs/dbraw/zinc/22/81/90/335228190.db2.gz NOKPGYJQKBQPIF-IBGZPJMESA-N 0 3 292.382 3.406 20 30 CGEDHN Cc1cc(C)cc(OCCNCc2cc(C#N)cs2)c1 ZINC000177689801 335379180 /nfs/dbraw/zinc/37/91/80/335379180.db2.gz WNZKVYWCQKOVKX-UHFFFAOYSA-N 0 3 286.400 3.405 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000177708630 335380565 /nfs/dbraw/zinc/38/05/65/335380565.db2.gz BASSOBJVAGUBKQ-GJZGRUSLSA-N 0 3 286.404 3.090 20 30 CGEDHN C=CCN(CC=C)C(=O)CNC(C)(C)c1cccc(C)c1 ZINC000179585025 335502487 /nfs/dbraw/zinc/50/24/87/335502487.db2.gz RPDAZVNJGLBWTF-UHFFFAOYSA-N 0 3 286.419 3.020 20 30 CGEDHN C=CCCCCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000579613267 335822828 /nfs/dbraw/zinc/82/28/28/335822828.db2.gz IRRDQYIMZGITOZ-UHFFFAOYSA-N 0 3 287.407 3.200 20 30 CGEDHN C=C(C)CN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185634303 335954611 /nfs/dbraw/zinc/95/46/11/335954611.db2.gz VIEGDNRVHBVWTG-SECBINFHSA-N 0 3 275.318 3.289 20 30 CGEDHN C=CCOCCCN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000348041995 500578572 /nfs/dbraw/zinc/57/85/72/500578572.db2.gz FMAPRVCBXXXTIJ-CQSZACIVSA-N 0 3 280.437 3.353 20 30 CGEDHN C[C@@H](CSc1ccc(C#N)cc1Cl)N(C)C ZINC000358857106 534192958 /nfs/dbraw/zinc/19/29/58/534192958.db2.gz YBUOWLBXSCYRMS-VIFPVBQESA-N 0 3 254.786 3.254 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000347106892 534283470 /nfs/dbraw/zinc/28/34/70/534283470.db2.gz JIRAVGUSCFWTBY-IAQYHMDHSA-N 0 3 274.339 3.333 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC(C)(C)C[C@@H]1C ZINC000412050759 534297414 /nfs/dbraw/zinc/29/74/14/534297414.db2.gz ZJPDCKNOSAKDBW-QWHCGFSZSA-N 0 3 285.391 3.006 20 30 CGEDHN Cc1noc(C2(C)CCN(CCCC(C)(C)C#N)CC2)n1 ZINC000371568021 518194176 /nfs/dbraw/zinc/19/41/76/518194176.db2.gz GAOWLJMHXAYMBX-UHFFFAOYSA-N 0 3 290.411 3.062 20 30 CGEDHN C=CCN(Cc1cnn(CC)c1)CC1CCCCC1 ZINC000353563961 526380190 /nfs/dbraw/zinc/38/01/90/526380190.db2.gz NMTGOGVPOBFQCS-UHFFFAOYSA-N 0 3 261.413 3.471 20 30 CGEDHN C=CCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000336189234 526455847 /nfs/dbraw/zinc/45/58/47/526455847.db2.gz SNMRQZUPFFAFOV-LLVKDONJSA-N 0 3 260.312 3.332 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000106039364 526600269 /nfs/dbraw/zinc/60/02/69/526600269.db2.gz BJGUCQHEBGEUMY-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)COCCNC/C=C\c1ccc(F)cc1F ZINC000350093910 526654724 /nfs/dbraw/zinc/65/47/24/526654724.db2.gz GUDRXJCXGHFTNY-ARJAWSKDSA-N 0 3 267.319 3.160 20 30 CGEDHN C#CCCOc1ccc(CNCCc2c(C)noc2C)cc1 ZINC000113339583 526743509 /nfs/dbraw/zinc/74/35/09/526743509.db2.gz PDROQJOTFYGSOA-UHFFFAOYSA-N 0 3 298.386 3.026 20 30 CGEDHN C=CCOCCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000347961162 526749551 /nfs/dbraw/zinc/74/95/51/526749551.db2.gz HFGJDBPOTJGTHJ-UHFFFAOYSA-N 0 3 292.379 3.398 20 30 CGEDHN C=CCOCCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000348059576 526754153 /nfs/dbraw/zinc/75/41/53/526754153.db2.gz WJJINNXYPIIRJE-OAHLLOKOSA-N 0 3 289.375 3.145 20 30 CGEDHN CC(C)(C)c1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354481772 526797438 /nfs/dbraw/zinc/79/74/38/526797438.db2.gz YMHVWZNPARHVNH-CYBMUJFWSA-N 0 3 279.343 3.264 20 30 CGEDHN C=CCOc1ccc(CNCCC(=O)OC(C)(C)C)cc1 ZINC000344555158 526886056 /nfs/dbraw/zinc/88/60/56/526886056.db2.gz XYGUURLNSMMAGU-UHFFFAOYSA-N 0 3 291.391 3.073 20 30 CGEDHN C=CCOc1ccc(CNC[C@](C)(O)CC)cc1Cl ZINC000111384322 526886423 /nfs/dbraw/zinc/88/64/23/526886423.db2.gz CSDFMOCXNCVWKL-OAHLLOKOSA-N 0 3 283.799 3.155 20 30 CGEDHN C=CCCC1(C(=O)NCCN2CCCC[C@@H]2CC)CC1 ZINC000356103719 527087299 /nfs/dbraw/zinc/08/72/99/527087299.db2.gz ZHVXLKFUSZUYEF-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000346974889 527194350 /nfs/dbraw/zinc/19/43/50/527194350.db2.gz UHXHOYYRWIMCMW-CYBMUJFWSA-N 0 3 278.371 3.359 20 30 CGEDHN C=CCCCN1CCN(Cc2ccccc2C)CC1 ZINC000344605109 527199782 /nfs/dbraw/zinc/19/97/82/527199782.db2.gz SZVUHNBKGWEGLR-UHFFFAOYSA-N 0 3 258.409 3.079 20 30 CGEDHN C=CCCOCCNCc1c(F)cccc1CC ZINC000354563512 527366736 /nfs/dbraw/zinc/36/67/36/527366736.db2.gz FNVNUTGZNNKRJW-UHFFFAOYSA-N 0 3 251.345 3.070 20 30 CGEDHN C=CCC[C@H](NCCN1CCCCC1)c1ccco1 ZINC000353442750 527483641 /nfs/dbraw/zinc/48/36/41/527483641.db2.gz QQLUACGOZPUWGT-HNNXBMFYSA-N 0 3 262.397 3.362 20 30 CGEDHN CC(C)[C@@H](C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441233281 528406415 /nfs/dbraw/zinc/40/64/15/528406415.db2.gz MNSCAJCODKJVTI-GFCCVEGCSA-N 0 3 284.363 3.085 20 30 CGEDHN CC(C)[C@@H](O)C1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358555514 528612793 /nfs/dbraw/zinc/61/27/93/528612793.db2.gz AKJWHVAGOFNLOU-MLGOLLRUSA-N 0 3 290.382 3.145 20 30 CGEDHN CCOCCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358560561 528656249 /nfs/dbraw/zinc/65/62/49/528656249.db2.gz FEFPIUJVLLXYES-GFCCVEGCSA-N 0 3 264.344 3.165 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000437434682 528770471 /nfs/dbraw/zinc/77/04/71/528770471.db2.gz RRDUSBQUAZSIOO-UHFFFAOYSA-N 0 3 268.307 3.390 20 30 CGEDHN CCCC[C@@H](NC(=O)C(C)C#N)c1ccc(OC)cc1 ZINC000347132806 528843135 /nfs/dbraw/zinc/84/31/35/528843135.db2.gz KCXDUUPUUIHUMW-SWLSCSKDSA-N 0 3 274.364 3.202 20 30 CGEDHN CC1(C)CCCc2cc(C#N)c(NCCN3CCCC3)nc21 ZINC000428103395 529001739 /nfs/dbraw/zinc/00/17/39/529001739.db2.gz NZLLRNDNNHELRE-UHFFFAOYSA-N 0 3 298.434 3.075 20 30 CGEDHN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C(C)C#N ZINC000347750120 529030186 /nfs/dbraw/zinc/03/01/86/529030186.db2.gz GMVORZCTMFFHRX-DOMZBBRYSA-N 0 3 276.355 3.011 20 30 CGEDHN CCCCCCCCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000732036870 572446100 /nfs/dbraw/zinc/44/61/00/572446100.db2.gz YDMDIUDMMRDRHI-MRXNPFEDSA-N 0 3 280.456 3.432 20 30 CGEDHN CCCCCCCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000732159498 572450920 /nfs/dbraw/zinc/45/09/20/572450920.db2.gz HJSXTVMPAZWYRE-MRXNPFEDSA-N 0 3 280.456 3.290 20 30 CGEDHN CCCCCCCN(C)CC(=O)NCc1ccccc1 ZINC000740878778 572466398 /nfs/dbraw/zinc/46/63/98/572466398.db2.gz XRIJVEKZMDYVSZ-UHFFFAOYSA-N 0 3 276.424 3.205 20 30 CGEDHN N#Cc1cccc(CNCc2ccc3c(c2)CCCN3)c1 ZINC000521442513 572553883 /nfs/dbraw/zinc/55/38/83/572553883.db2.gz HMCLQEMQPLOTDB-UHFFFAOYSA-N 0 3 277.371 3.206 20 30 CGEDHN FC(F)(F)c1ccc(CON=C2CN3CCC2CC3)cc1 ZINC000746577429 572882189 /nfs/dbraw/zinc/88/21/89/572882189.db2.gz RIPLSCFWYGGUOB-UHFFFAOYSA-N 0 3 298.308 3.304 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CCOC(C)(C)C)c([O-])c1 ZINC000746681596 572891437 /nfs/dbraw/zinc/89/14/37/572891437.db2.gz LWBMUKGXKAGMSF-AQTBWJFISA-N 0 3 292.423 3.472 20 30 CGEDHN N#Cc1csc(CNCCCOc2ccccc2F)c1 ZINC000748100119 572960656 /nfs/dbraw/zinc/96/06/56/572960656.db2.gz FQTJDMIHFYOUGD-UHFFFAOYSA-N 0 3 290.363 3.318 20 30 CGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000749025442 572988494 /nfs/dbraw/zinc/98/84/94/572988494.db2.gz FHBCWFDGQHUEHY-NSHDSACASA-N 0 3 290.750 3.344 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819734827 607087722 /nfs/dbraw/zinc/08/77/22/607087722.db2.gz UVUUDDOVFTZBHK-WFASDCNBSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734827 607087724 /nfs/dbraw/zinc/08/77/24/607087724.db2.gz UVUUDDOVFTZBHK-WFASDCNBSA-N 0 3 285.395 3.262 20 30 CGEDHN CCCCCCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825270793 608461698 /nfs/dbraw/zinc/46/16/98/608461698.db2.gz CZSIGUBBHJPPOA-CYBMUJFWSA-N 0 3 287.411 3.488 20 30 CGEDHN CCCCCCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825270793 608461700 /nfs/dbraw/zinc/46/17/00/608461700.db2.gz CZSIGUBBHJPPOA-CYBMUJFWSA-N 0 3 287.411 3.488 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823888621 609249456 /nfs/dbraw/zinc/24/94/56/609249456.db2.gz RXCNBEKLYFYQBB-QWHCGFSZSA-N 0 3 297.406 3.046 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823888621 609249457 /nfs/dbraw/zinc/24/94/57/609249457.db2.gz RXCNBEKLYFYQBB-QWHCGFSZSA-N 0 3 297.406 3.046 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC000970947548 613299370 /nfs/dbraw/zinc/29/93/70/613299370.db2.gz MABFACASLQGNFW-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000970938550 613302331 /nfs/dbraw/zinc/30/23/31/613302331.db2.gz RJLFPMQHMNOSDM-GJZGRUSLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC000968821830 613306726 /nfs/dbraw/zinc/30/67/26/613306726.db2.gz GGEUPPMVEMBWBS-MRXNPFEDSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965450506 613323887 /nfs/dbraw/zinc/32/38/87/613323887.db2.gz QIBOROHTNHHIHA-WBVHZDCISA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965859073 613325260 /nfs/dbraw/zinc/32/52/60/613325260.db2.gz GMKLSQHPZHRSNV-ZIAGYGMSSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621898 613325371 /nfs/dbraw/zinc/32/53/71/613325371.db2.gz HVRWSRNVGGBXAH-NVXWUHKLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2ccc3occc3c2)CC1 ZINC000981218752 613497628 /nfs/dbraw/zinc/49/76/28/613497628.db2.gz PMAZRZNFSUWWPQ-UHFFFAOYSA-N 0 3 298.386 3.157 20 30 CGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999882 613531563 /nfs/dbraw/zinc/53/15/63/613531563.db2.gz HYTWPEUCIRVEBU-UONOGXRCSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)C2CCCCC2)C1 ZINC000972507077 613610434 /nfs/dbraw/zinc/61/04/34/613610434.db2.gz PZIGDIRDTLMSCR-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C(C)C)C1 ZINC000971644007 613622719 /nfs/dbraw/zinc/62/27/19/613622719.db2.gz CZVRTPGAFYGNLU-OAHLLOKOSA-N 0 3 286.419 3.142 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC000969072671 613685506 /nfs/dbraw/zinc/68/55/06/613685506.db2.gz OXWRJLOEHHOYEU-OAHLLOKOSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3occc3c2)C[C@@H]1C ZINC000947334761 613753121 /nfs/dbraw/zinc/75/31/21/613753121.db2.gz RRMQTXNUINXJOF-XJKSGUPXSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccsc2Cl)C[C@H]1C ZINC000947779390 613756249 /nfs/dbraw/zinc/75/62/49/613756249.db2.gz OZOAPZVOADQNPR-GHMZBOCLSA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001020843520 617797723 /nfs/dbraw/zinc/79/77/23/617797723.db2.gz IVFBQJQKMSEUFJ-ZQDZILKHSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CC[C@@H]1CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000890550850 617635056 /nfs/dbraw/zinc/63/50/56/617635056.db2.gz PXYSTPCVLCIYBX-GOSISDBHSA-N 0 3 298.430 3.463 20 30 CGEDHN C#C[C@@H](NCc1ccc(Br)c(F)c1)C(C)C ZINC000300964375 618016738 /nfs/dbraw/zinc/01/67/38/618016738.db2.gz RJDCKCRUJIYQRC-CYBMUJFWSA-N 0 3 284.172 3.336 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810910266 618061991 /nfs/dbraw/zinc/06/19/91/618061991.db2.gz FVEOTWWIVULJJW-BBRMVZONSA-N 0 3 284.419 3.060 20 30 CGEDHN C#CCC1(NCC(=O)Nc2cc(Cl)ccc2C)CCC1 ZINC000933298369 618194700 /nfs/dbraw/zinc/19/47/00/618194700.db2.gz DYIDPDZEGRLSSH-UHFFFAOYSA-N 0 3 290.794 3.123 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2CC)CCC1 ZINC000933303299 618197745 /nfs/dbraw/zinc/19/77/45/618197745.db2.gz NIKGWZOJDZNQFU-AWEZNQCLSA-N 0 3 284.403 3.112 20 30 CGEDHN CC(C)(C#N)CCN[C@@]1(C)CCOc2ccccc21 ZINC000933376037 618222482 /nfs/dbraw/zinc/22/24/82/618222482.db2.gz VXLHMXALGJUKMZ-INIZCTEOSA-N 0 3 258.365 3.214 20 30 CGEDHN CSCC[C@H](C)N(C)Cc1csc(C#N)c1 ZINC000892083490 618523592 /nfs/dbraw/zinc/52/35/92/618523592.db2.gz JOUNPRAQIZWRHE-JTQLQIEISA-N 0 3 254.424 3.193 20 30 CGEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)s1 ZINC000176944098 618767661 /nfs/dbraw/zinc/76/76/61/618767661.db2.gz NFFSKUSTBGQXTL-CQSZACIVSA-N 0 3 292.791 3.096 20 30 CGEDHN CN(C)[C@H](CNCC#Cc1ccccc1)c1ccc(F)cc1 ZINC000892626257 618879015 /nfs/dbraw/zinc/87/90/15/618879015.db2.gz QQIFYQDEDANILW-LJQANCHMSA-N 0 3 296.389 3.070 20 30 CGEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000180737269 618885425 /nfs/dbraw/zinc/88/54/25/618885425.db2.gz OUUGYIZFIIKJOB-MRXNPFEDSA-N 0 3 296.370 3.090 20 30 CGEDHN C#CCCCN[C@@H](C)c1nc(Br)ccc1F ZINC000309460895 619027688 /nfs/dbraw/zinc/02/76/88/619027688.db2.gz OTUPXWSALOUGSJ-VIFPVBQESA-N 0 3 285.160 3.047 20 30 CGEDHN C#CCCN[C@H](C)c1ccc(Br)cc1OC ZINC000309924798 619036536 /nfs/dbraw/zinc/03/65/36/619036536.db2.gz UTMWJNUYGYWSCW-SNVBAGLBSA-N 0 3 282.181 3.132 20 30 CGEDHN C[C@]1(Cc2ccccc2Cl)CCCN1C[C@H](O)CC#N ZINC000930929457 619093688 /nfs/dbraw/zinc/09/36/88/619093688.db2.gz OPGRKXOLXNNSPJ-GDBMZVCRSA-N 0 3 292.810 3.012 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CN(C)Cc2ccccc21 ZINC000925634930 619099527 /nfs/dbraw/zinc/09/95/27/619099527.db2.gz NAPUIXIFHWCRCD-BBRMVZONSA-N 0 3 271.408 3.091 20 30 CGEDHN C[C@H](CN(C)Cc1csc(C#N)c1)c1nccs1 ZINC000893534734 619207695 /nfs/dbraw/zinc/20/76/95/619207695.db2.gz DYMOUQPBIARXFF-SNVBAGLBSA-N 0 3 277.418 3.312 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006745225 619214260 /nfs/dbraw/zinc/21/42/60/619214260.db2.gz LTSCIBWKFZIAHR-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2cncc(C)c2)cc1 ZINC000181843377 619219598 /nfs/dbraw/zinc/21/95/98/619219598.db2.gz MPAOPAGKRWPLGB-OAHLLOKOSA-N 0 3 280.371 3.253 20 30 CGEDHN C=C(C)[C@H](NC1CCS(=O)CC1)c1ccc(F)c(F)c1 ZINC000893668877 619275311 /nfs/dbraw/zinc/27/53/11/619275311.db2.gz PWRJXFHNAYWQNC-ZYWJMJLXSA-N 0 3 299.386 3.083 20 30 CGEDHN Cc1ccc([C@@H](O)[C@@H](C)NCC#Cc2ccccc2)cc1 ZINC000894411680 619524846 /nfs/dbraw/zinc/52/48/46/619524846.db2.gz FTACTEBVRZSZBR-APWZRJJASA-N 0 3 279.383 3.058 20 30 CGEDHN COCCC1(C)CN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000894840899 619649427 /nfs/dbraw/zinc/64/94/27/619649427.db2.gz SAUWBPZEJQUHRW-UHFFFAOYSA-N 0 3 272.392 3.034 20 30 CGEDHN Cc1nn(C(C)C)c(C)c1CNCc1ccc(CC#N)cc1 ZINC000895091652 619724871 /nfs/dbraw/zinc/72/48/71/619724871.db2.gz XUBGMOKUEGCNSW-UHFFFAOYSA-N 0 3 296.418 3.437 20 30 CGEDHN Cc1ccc(C2=NO[C@H](CN[C@H]3CC[C@H](C#N)C3)C2)cc1C ZINC000895497053 619838620 /nfs/dbraw/zinc/83/86/20/619838620.db2.gz FIUKBHCARGPURC-XIRDDKMYSA-N 0 3 297.402 3.078 20 30 CGEDHN CC[C@H](NCC#Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000895949378 619915312 /nfs/dbraw/zinc/91/53/12/619915312.db2.gz WDLKCAUHDLIYJW-RBUKOAKNSA-N 0 3 279.383 3.140 20 30 CGEDHN CC1(C)C[C@@H](CNCc2cccc(F)c2C#N)C(C)(C)O1 ZINC000897226003 620164910 /nfs/dbraw/zinc/16/49/10/620164910.db2.gz YDGAKDFRHNTING-ZDUSSCGKSA-N 0 3 290.382 3.381 20 30 CGEDHN CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000073012447 625407272 /nfs/dbraw/zinc/40/72/72/625407272.db2.gz DPEIZSPBKJOHOR-MRXNPFEDSA-N 0 3 296.370 3.363 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929162115 620517819 /nfs/dbraw/zinc/51/78/19/620517819.db2.gz HRBDCMLBPZFLRH-UONOGXRCSA-N 0 3 298.308 3.100 20 30 CGEDHN C[C@@H](NC[C@@]1(C)CCCCO1)c1ccc(C#N)cc1F ZINC000927022754 620563652 /nfs/dbraw/zinc/56/36/52/620563652.db2.gz SFALMOCFOHEEMH-MLGOLLRUSA-N 0 3 276.355 3.307 20 30 CGEDHN CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1c[nH]c(N)n1 ZINC000901170395 620839778 /nfs/dbraw/zinc/83/97/78/620839778.db2.gz MGTVMXAOPKKKLU-LLVKDONJSA-N 0 3 285.395 3.190 20 30 CGEDHN C[C@@H](C#N)OCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000801913524 621296401 /nfs/dbraw/zinc/29/64/01/621296401.db2.gz WHJXQHNNKKTOAH-LBPRGKRZSA-N 0 3 278.783 3.233 20 30 CGEDHN CNc1ccc(C)cc1CNCc1ccc(OC)c(C#N)c1 ZINC000902401991 621306866 /nfs/dbraw/zinc/30/68/66/621306866.db2.gz GYYOARKGWBGIEF-UHFFFAOYSA-N 0 3 295.386 3.207 20 30 CGEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)Oc1ccc(F)cc1 ZINC000902821293 621455267 /nfs/dbraw/zinc/45/52/67/621455267.db2.gz HHNPMDAXEQUQDQ-OLZOCXBDSA-N 0 3 299.349 3.210 20 30 CGEDHN C=CCC[C@H](NCc1snnc1C)[C@]1(C)CCCCO1 ZINC000902998979 621523110 /nfs/dbraw/zinc/52/31/10/621523110.db2.gz JSXYWXVXWDQVAL-GJZGRUSLSA-N 0 3 295.452 3.230 20 30 CGEDHN C[C@@H](NC[C@H]1CCCCC1(F)F)c1cc(C#N)ccn1 ZINC000903003440 621527716 /nfs/dbraw/zinc/52/77/16/621527716.db2.gz UJPSUTTZOUTNEY-DGCLKSJQSA-N 0 3 279.334 3.429 20 30 CGEDHN C=CC(C)(C)CCCN[C@H](C)c1cn(CCC)nn1 ZINC000903084179 621564163 /nfs/dbraw/zinc/56/41/63/621564163.db2.gz BHFOEGNOFQRDLX-CYBMUJFWSA-N 0 3 264.417 3.331 20 30 CGEDHN COC1([C@H](C)NCC2(C#N)CCCC2)CCCC1 ZINC000903109553 621582594 /nfs/dbraw/zinc/58/25/94/621582594.db2.gz REPSXDSUVCORMN-ZDUSSCGKSA-N 0 3 250.386 3.008 20 30 CGEDHN C=CCC[C@@H](NCc1nc2c(s1)CCC2)[C@@H]1CCCO1 ZINC000903191184 621627904 /nfs/dbraw/zinc/62/79/04/621627904.db2.gz PGXFFGTYWFNAFX-OCCSQVGLSA-N 0 3 292.448 3.235 20 30 CGEDHN CCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000905083175 622033215 /nfs/dbraw/zinc/03/32/15/622033215.db2.gz CBLVIVNNBABXDV-ZENNRRHLSA-N 0 3 297.358 3.216 20 30 CGEDHN CCSc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905085508 622033866 /nfs/dbraw/zinc/03/38/66/622033866.db2.gz NVJIAOXJGSBVCU-SEEODLKFSA-N 0 3 285.372 3.231 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000912172946 622615333 /nfs/dbraw/zinc/61/53/33/622615333.db2.gz YLAZFNLIQQSCHO-HOTGVXAUSA-N 0 3 272.392 3.034 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000912229768 622620711 /nfs/dbraw/zinc/62/07/11/622620711.db2.gz NEPUMIVYTPGFHO-DLBZAZTESA-N 0 3 286.419 3.342 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000912271591 622624810 /nfs/dbraw/zinc/62/48/10/622624810.db2.gz ABCYWESJDCQCPJ-LBPRGKRZSA-N 0 3 270.735 3.101 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000912352183 622638392 /nfs/dbraw/zinc/63/83/92/622638392.db2.gz MDPMUCNRLICQSQ-GDBMZVCRSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1csc2ccccc12 ZINC000912439005 622651969 /nfs/dbraw/zinc/65/19/69/622651969.db2.gz PVIQGXXWQJCIML-CQSZACIVSA-N 0 3 288.416 3.201 20 30 CGEDHN C#CCSCCN[C@H](C)c1ccccc1Cl ZINC000165358227 622860509 /nfs/dbraw/zinc/86/05/09/622860509.db2.gz OUVJHLSNCHHFGW-LLVKDONJSA-N 0 3 253.798 3.357 20 30 CGEDHN C[C@H](NCCC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000063099456 623296016 /nfs/dbraw/zinc/29/60/16/623296016.db2.gz UVUYCSURAABXMY-JTQLQIEISA-N 0 3 272.270 3.192 20 30 CGEDHN C#Cc1ccc(NC(=O)CCN(CC)Cc2ccoc2)cc1 ZINC000929477842 623421250 /nfs/dbraw/zinc/42/12/50/623421250.db2.gz IFBXWWAFSPWYIG-UHFFFAOYSA-N 0 3 296.370 3.112 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@H]12 ZINC000992423979 623555074 /nfs/dbraw/zinc/55/50/74/623555074.db2.gz ONBDKFYOSBPFIH-OVWQWFNUSA-N 0 3 290.451 3.112 20 30 CGEDHN C[C@@H]1CCCC[C@H]1OCCNCc1csc(C#N)c1 ZINC000921555668 625671970 /nfs/dbraw/zinc/67/19/70/625671970.db2.gz FTUCCGBQGOHWCB-IUODEOHRSA-N 0 3 278.421 3.305 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=Cc2cccs2)nc(C)n1 ZINC000916879641 624221498 /nfs/dbraw/zinc/22/14/98/624221498.db2.gz CQOFUEUBDZGSQU-CFHLNLSMSA-N 0 3 283.356 3.045 20 30 CGEDHN C#CCN(Cc1cnc(-c2ccccc2)[nH]1)C1CCCC1 ZINC000180103143 624715246 /nfs/dbraw/zinc/71/52/46/624715246.db2.gz DMYGBNJUGCXLRX-UHFFFAOYSA-N 0 3 279.387 3.455 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC000999233648 625827064 /nfs/dbraw/zinc/82/70/64/625827064.db2.gz AVCYUCJMTJPPIP-WLYUNCDWSA-N 0 3 296.842 3.064 20 30 CGEDHN C[C@H](F)CCNCc1cc(C#N)ccc1Br ZINC000922146896 625973208 /nfs/dbraw/zinc/97/32/08/625973208.db2.gz FVJPKPFJPBIPAQ-VIFPVBQESA-N 0 3 285.160 3.158 20 30 CGEDHN Cc1cc(CNCc2c(C)cc(C#N)cc2C)cc(C)n1 ZINC000922192335 625982037 /nfs/dbraw/zinc/98/20/37/625982037.db2.gz UMCSBQOJCXEZNE-UHFFFAOYSA-N 0 3 279.387 3.477 20 30 CGEDHN COCc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000922758498 626043225 /nfs/dbraw/zinc/04/32/25/626043225.db2.gz DDQUPTUCBZXXJW-UHFFFAOYSA-N 0 3 280.371 3.303 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccsc2Cl)CC1 ZINC001006084102 626154689 /nfs/dbraw/zinc/15/46/89/626154689.db2.gz MMIXYHPWJVIYJD-UHFFFAOYSA-N 0 3 298.839 3.124 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000840787641 626177360 /nfs/dbraw/zinc/17/73/60/626177360.db2.gz NINLPXAVUONSJP-LLVKDONJSA-N 0 3 263.772 3.252 20 30 CGEDHN Cc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1C#N ZINC000774839068 626180443 /nfs/dbraw/zinc/18/04/43/626180443.db2.gz AGMAFRADQZAMJQ-UHFFFAOYSA-N 0 3 266.344 3.204 20 30 CGEDHN Cc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1C#N ZINC000774839068 626180446 /nfs/dbraw/zinc/18/04/46/626180446.db2.gz AGMAFRADQZAMJQ-UHFFFAOYSA-N 0 3 266.344 3.204 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCC1 ZINC000838791716 626255508 /nfs/dbraw/zinc/25/55/08/626255508.db2.gz XREQDZLBCOWTFM-ZYHUDNBSSA-N 0 3 268.316 3.440 20 30 CGEDHN C#C[C@H](NCc1cc(Cl)c(O)c(OCC)c1)C(C)C ZINC000839087847 626312819 /nfs/dbraw/zinc/31/28/19/626312819.db2.gz BWTSXAUSTWGDND-ZDUSSCGKSA-N 0 3 281.783 3.192 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CC(F)(F)C3)nc21 ZINC000753811810 626466753 /nfs/dbraw/zinc/46/67/53/626466753.db2.gz WDAMAKBBLBMOHD-JTQLQIEISA-N 0 3 289.285 3.093 20 30 CGEDHN C#CCN[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000753915813 626468917 /nfs/dbraw/zinc/46/89/17/626468917.db2.gz XGAWHUHMASJERX-INIZCTEOSA-N 0 3 292.373 3.103 20 30 CGEDHN C[C@@H]1CCC(=NNC2=N[C@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000753941025 626469423 /nfs/dbraw/zinc/46/94/23/626469423.db2.gz WAERDTBAZRNURO-DQYPLSBCSA-N 0 3 296.418 3.148 20 30 CGEDHN COCC#CCN[C@@H](C)c1csc2ccccc21 ZINC000754737014 626585360 /nfs/dbraw/zinc/58/53/60/626585360.db2.gz MATYRPGHPPCULK-LBPRGKRZSA-N 0 3 259.374 3.202 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756733604 626728641 /nfs/dbraw/zinc/72/86/41/626728641.db2.gz RBBMLVDMGATTPD-XCBNKYQSSA-N 0 3 255.720 3.422 20 30 CGEDHN C=C[C@H](C)NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000756903428 626740384 /nfs/dbraw/zinc/74/03/84/626740384.db2.gz UMJDSCKLPWVINR-NSHDSACASA-N 0 3 277.368 3.093 20 30 CGEDHN COc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1C#N ZINC000758633181 626852021 /nfs/dbraw/zinc/85/20/21/626852021.db2.gz SULUYXQEDCGTSW-GOSISDBHSA-N 0 3 293.370 3.203 20 30 CGEDHN CC[C@H](C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000760342135 626961608 /nfs/dbraw/zinc/96/16/08/626961608.db2.gz VZEIXPNZPQLHAD-SWLSCSKDSA-N 0 3 279.343 3.480 20 30 CGEDHN N#Cc1ccc([C@@H](O)CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000763540932 627165309 /nfs/dbraw/zinc/16/53/09/627165309.db2.gz XCJDWBMFEYNZJC-KRWDZBQOSA-N 0 3 296.345 3.010 20 30 CGEDHN C#CCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000764598786 627214109 /nfs/dbraw/zinc/21/41/09/627214109.db2.gz IESUCKAQGMUWHD-QGZVFWFLSA-N 0 3 271.310 3.471 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2nsnc21 ZINC000766007312 627286006 /nfs/dbraw/zinc/28/60/06/627286006.db2.gz BULRPJSJRXNXBR-UHFFFAOYSA-N 0 3 294.383 3.195 20 30 CGEDHN C#CCCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000766935824 627371704 /nfs/dbraw/zinc/37/17/04/627371704.db2.gz QEZRDQCVKVJHAQ-CYBMUJFWSA-N 0 3 263.768 3.207 20 30 CGEDHN C=CC[C@@H](N[C@@H](C)c1ccncc1)c1ccncc1 ZINC000768403998 627479267 /nfs/dbraw/zinc/47/92/67/627479267.db2.gz SWLFDCXXJNOQHQ-XJKSGUPXSA-N 0 3 253.349 3.445 20 30 CGEDHN C#CCSCCN[C@@H](CC)c1cc(F)ccc1F ZINC000773010101 627841352 /nfs/dbraw/zinc/84/13/52/627841352.db2.gz GWWARMSZMNPARW-AWEZNQCLSA-N 0 3 269.360 3.372 20 30 CGEDHN C#CCSCCN[C@@H](CC)c1ccc(F)cc1F ZINC000773010485 627842192 /nfs/dbraw/zinc/84/21/92/627842192.db2.gz LVWUILQKPJFIBC-AWEZNQCLSA-N 0 3 269.360 3.372 20 30 CGEDHN CC(C)[C@H](NCc1ccc(OCC#N)cc1)c1cccnc1 ZINC000774448254 627991837 /nfs/dbraw/zinc/99/18/37/627991837.db2.gz APEWPFKAECIMJE-SFHVURJKSA-N 0 3 295.386 3.471 20 30 CGEDHN C[C@H](NCc1cccc2nsnc21)c1cccc(C#N)c1 ZINC000775335949 628083572 /nfs/dbraw/zinc/08/35/72/628083572.db2.gz VHQPQSIKGCUSTQ-NSHDSACASA-N 0 3 294.383 3.414 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1ccc(CC)s1)[C@H]1CCCO1 ZINC000775574999 628110878 /nfs/dbraw/zinc/11/08/78/628110878.db2.gz UGMBMUGQCCPLLY-FPMFFAJLSA-N 0 3 263.406 3.142 20 30 CGEDHN C[C@@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000776511150 628214898 /nfs/dbraw/zinc/21/48/98/628214898.db2.gz JUPMCJQXEQYONA-WOPDTQHZSA-N 0 3 268.316 3.440 20 30 CGEDHN COc1ccc(CNCc2cc(F)ccc2C)cc1C#N ZINC000778105663 628326197 /nfs/dbraw/zinc/32/61/97/628326197.db2.gz PZDWXKZCCBZYAZ-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCCSC1 ZINC000778177955 628331819 /nfs/dbraw/zinc/33/18/19/628331819.db2.gz VUAWHNSCUYFXSJ-LBPRGKRZSA-N 0 3 295.835 3.337 20 30 CGEDHN C#CC[N@@H+](Cc1cc(F)ccc1[O-])C1CCCCC1 ZINC000779003173 628382806 /nfs/dbraw/zinc/38/28/06/628382806.db2.gz SHPJTAXQEUIKEY-UHFFFAOYSA-N 0 3 261.340 3.299 20 30 CGEDHN C#CC[N@H+](Cc1cc(F)ccc1[O-])C1CCCCC1 ZINC000779003173 628382807 /nfs/dbraw/zinc/38/28/07/628382807.db2.gz SHPJTAXQEUIKEY-UHFFFAOYSA-N 0 3 261.340 3.299 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000779188450 628393212 /nfs/dbraw/zinc/39/32/12/628393212.db2.gz ODCUGRSSTSOJSQ-IBGZPJMESA-N 0 3 299.414 3.090 20 30 CGEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2o1)C1CC1 ZINC000805860938 629042111 /nfs/dbraw/zinc/04/21/11/629042111.db2.gz MPEPMIYPMISDLJ-NSHDSACASA-N 0 3 268.316 3.440 20 30 CGEDHN COc1cc(Cl)c(C=N[N-]c2[nH+]ccn2C)cc1Cl ZINC000790300482 629201536 /nfs/dbraw/zinc/20/15/36/629201536.db2.gz YZIJAOVMHMKKRL-UHFFFAOYSA-N 0 3 299.161 3.182 20 30 CGEDHN C=C[C@@H]1CCCCN1[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790357394 629207881 /nfs/dbraw/zinc/20/78/81/629207881.db2.gz PBDGGXLAMXCIAB-QZTJIDSGSA-N 0 3 298.430 3.218 20 30 CGEDHN C#CCCCNCc1c(F)cccc1OC(F)(F)F ZINC000790549014 629217165 /nfs/dbraw/zinc/21/71/65/629217165.db2.gz SLPOIMUDVPGTFA-UHFFFAOYSA-N 0 3 275.245 3.227 20 30 CGEDHN CCn1ccc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000792182279 629345873 /nfs/dbraw/zinc/34/58/73/629345873.db2.gz ABZVUBFDPNZALL-OAHLLOKOSA-N 0 3 297.402 3.431 20 30 CGEDHN C=CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862441225 629374200 /nfs/dbraw/zinc/37/42/00/629374200.db2.gz PSVHHEKYLCGSKI-NSHDSACASA-N 0 3 281.783 3.452 20 30 CGEDHN C=CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862441225 629374214 /nfs/dbraw/zinc/37/42/14/629374214.db2.gz PSVHHEKYLCGSKI-NSHDSACASA-N 0 3 281.783 3.452 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cccc(Br)c2)C1 ZINC000862442498 629376063 /nfs/dbraw/zinc/37/60/63/629376063.db2.gz CVIOEHUSLKOFIE-LBPRGKRZSA-N 0 3 278.193 3.294 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000862445055 629378612 /nfs/dbraw/zinc/37/86/12/629378612.db2.gz KWJFCZNUEKONPQ-LBPRGKRZSA-N 0 3 293.794 3.202 20 30 CGEDHN COCCCNN=C(C)c1ccc(N2CCCCC2)cc1 ZINC000794542632 629553100 /nfs/dbraw/zinc/55/31/00/629553100.db2.gz SBDAQXIOKJQYCX-UHFFFAOYSA-N 0 3 289.423 3.027 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cn1)c1ccc(C)cc1O ZINC000794814510 629580945 /nfs/dbraw/zinc/58/09/45/629580945.db2.gz LMAXVTWRMHQNGV-MRXNPFEDSA-N 0 3 281.359 3.208 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CC(C)(C)C2)cc1 ZINC000796795927 629836029 /nfs/dbraw/zinc/83/60/29/629836029.db2.gz ADPDEUYVBIDGQE-OAHLLOKOSA-N 0 3 298.386 3.333 20 30 CGEDHN N#CC(C(=O)CCC(F)F)c1nccc2ccccc21 ZINC000796898089 629855936 /nfs/dbraw/zinc/85/59/36/629855936.db2.gz DWZIXFZXDBWFPG-GFCCVEGCSA-N 0 3 274.270 3.456 20 30 CGEDHN CCOCc1cc(CNCC2(CC#N)CC2)ccc1OC ZINC000797468831 629950201 /nfs/dbraw/zinc/95/02/01/629950201.db2.gz PMWMBKYPHDTPRO-UHFFFAOYSA-N 0 3 288.391 3.015 20 30 CGEDHN CCCCCCCCN1CCCC2(C1)OCCO2 ZINC000125725578 634779629 /nfs/dbraw/zinc/77/96/29/634779629.db2.gz DYWTVPOYQJWRFB-UHFFFAOYSA-N 0 3 255.402 3.186 20 30 CGEDHN C[C@H](NCC(C)(C)CCC#N)c1cn(-c2ccccc2)nn1 ZINC000806177286 630553650 /nfs/dbraw/zinc/55/36/50/630553650.db2.gz XRIWTFCBUNZTPP-AWEZNQCLSA-N 0 3 297.406 3.248 20 30 CGEDHN C/C(C=Nn1cnnc1)=C/c1cccc(C(F)(F)F)c1 ZINC000807941514 630607908 /nfs/dbraw/zinc/60/79/08/630607908.db2.gz ZKLBPLPVMDXSRJ-FBZXCQQCSA-N 0 3 280.253 3.234 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1ccc(C#N)cc1F ZINC000808720399 630670307 /nfs/dbraw/zinc/67/03/07/630670307.db2.gz UUSJYQZJVKDBBU-LXIYXOSZSA-N 0 3 298.361 3.470 20 30 CGEDHN C#C[C@@H](NCc1cnc(CC(C)C)s1)C(C)C ZINC000809684621 630780912 /nfs/dbraw/zinc/78/09/12/630780912.db2.gz IRJGQKWQEBBYHA-CYBMUJFWSA-N 0 3 250.411 3.089 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OCCCC)c(OC)c1 ZINC000809686130 630781774 /nfs/dbraw/zinc/78/17/74/630781774.db2.gz RFBSYPONHQEPQS-HNNXBMFYSA-N 0 3 275.392 3.376 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810048240 630834127 /nfs/dbraw/zinc/83/41/27/630834127.db2.gz ZGCLSLBPEOGLJR-QAPCUYQASA-N 0 3 269.388 3.258 20 30 CGEDHN CCCCCC[C@@H](C)NN=C(C)c1ccc(N)nc1 ZINC000814859604 631657831 /nfs/dbraw/zinc/65/78/31/631657831.db2.gz XIWIEMQIRGELLL-GFCCVEGCSA-N 0 3 262.401 3.336 20 30 CGEDHN CC(C)N1CC(N=Nc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000814944134 631694994 /nfs/dbraw/zinc/69/49/94/631694994.db2.gz SAFRHQBZVLONGD-SECBINFHSA-N 0 3 285.313 3.232 20 30 CGEDHN C=CCOCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000815079970 631712883 /nfs/dbraw/zinc/71/28/83/631712883.db2.gz CJLFRAAGBBNWNF-UHFFFAOYSA-N 0 3 278.783 3.027 20 30 CGEDHN CC1(C#N)CCN(C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815086904 631714293 /nfs/dbraw/zinc/71/42/93/631714293.db2.gz PROOCSWMVWUDDC-SFHVURJKSA-N 0 3 294.398 3.499 20 30 CGEDHN C=CCN(CCOC)C[C@H](O)c1cccc2ccccc21 ZINC000815100079 631716400 /nfs/dbraw/zinc/71/64/00/631716400.db2.gz CABZFUABHMEYAW-SFHVURJKSA-N 0 3 285.387 3.008 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1cccc(Cl)n1 ZINC000879433782 635786615 /nfs/dbraw/zinc/78/66/15/635786615.db2.gz FREYHDGPHWAAQX-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C=CC1(CC(=O)N(CC)C2CCN(C)CC2)CCCCC1 ZINC000821400896 632763941 /nfs/dbraw/zinc/76/39/41/632763941.db2.gz KWYBLNZVTIOKHW-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN CC(C)(NCc1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000865746503 632875366 /nfs/dbraw/zinc/87/53/66/632875366.db2.gz OAEWEAUCIPLARQ-OAHLLOKOSA-N 0 3 276.355 3.135 20 30 CGEDHN C[C@@H](c1ccccc1)N(CC(=O)NCCC#N)C1CCCC1 ZINC000823110369 633062392 /nfs/dbraw/zinc/06/23/92/633062392.db2.gz RZMAKFGJXKXMMJ-HNNXBMFYSA-N 0 3 299.418 3.022 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000876570567 634860106 /nfs/dbraw/zinc/86/01/06/634860106.db2.gz GXCHFORMZLYPCX-GJZGRUSLSA-N 0 3 292.810 3.032 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000876584924 634862325 /nfs/dbraw/zinc/86/23/25/634862325.db2.gz SVWSFRDOILPAAY-AWEZNQCLSA-N 0 3 296.798 3.130 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC(C)C)C1CCCC1 ZINC000876599850 634865607 /nfs/dbraw/zinc/86/56/07/634865607.db2.gz LIYOSTLBHMQETE-CQSZACIVSA-N 0 3 286.847 3.274 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000876607238 634866270 /nfs/dbraw/zinc/86/62/70/634866270.db2.gz JWZZRMQZKZRIGE-RISCZKNCSA-N 0 3 298.789 3.205 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000876607235 634866384 /nfs/dbraw/zinc/86/63/84/634866384.db2.gz JWZZRMQZKZRIGE-BXUZGUMPSA-N 0 3 298.789 3.205 20 30 CGEDHN C#Cc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000827628982 633505487 /nfs/dbraw/zinc/50/54/87/633505487.db2.gz CSEJWNSIWUVWQS-UHFFFAOYSA-N 0 3 266.344 3.036 20 30 CGEDHN C#CC[C@@H]1CCCN(CCOc2ccccc2C(C)=O)C1 ZINC000829769127 633778442 /nfs/dbraw/zinc/77/84/42/633778442.db2.gz PEBWLYCTIDFQJF-MRXNPFEDSA-N 0 3 285.387 3.003 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cc(F)ccc2OC)C1 ZINC000829775073 633780155 /nfs/dbraw/zinc/78/01/55/633780155.db2.gz XWDYJMXMELMUDG-ZDUSSCGKSA-N 0 3 261.340 3.070 20 30 CGEDHN C#CC1CCN(Cc2ccc(OCC)c(OCC)c2)CC1 ZINC000830305794 633848404 /nfs/dbraw/zinc/84/84/04/633848404.db2.gz VMIKSFPPJDVIFY-UHFFFAOYSA-N 0 3 287.403 3.329 20 30 CGEDHN Cc1cc2c(CCNC[C@@H](C#N)CCC#N)c[nH]c2cc1F ZINC000871916795 633916774 /nfs/dbraw/zinc/91/67/74/633916774.db2.gz PUOUYYRYGJMIEB-CYBMUJFWSA-N 0 3 298.365 3.191 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046717 633969076 /nfs/dbraw/zinc/96/90/76/633969076.db2.gz ZNCCZGSPXUFDCY-ZJUUUORDSA-N 0 3 252.289 3.349 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872130902 634052884 /nfs/dbraw/zinc/05/28/84/634052884.db2.gz MTASVUPPMJHBHN-UMNHJUIQSA-N 0 3 283.297 3.443 20 30 CGEDHN CN1CCN(CCCCC(C)(C)C#N)Cc2cccnc21 ZINC000872319626 634108833 /nfs/dbraw/zinc/10/88/33/634108833.db2.gz KZUFDSDIXMJYHC-UHFFFAOYSA-N 0 3 286.423 3.053 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@@H](C)c2ccsc21)[C@H]1CCCO1 ZINC000834768758 634239389 /nfs/dbraw/zinc/23/93/89/634239389.db2.gz FNCXSCIZRVCKDR-FAAHXZRKSA-N 0 3 275.417 3.457 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2ccnc(C)c2)cc1 ZINC000834859778 634257853 /nfs/dbraw/zinc/25/78/53/634257853.db2.gz JAIUGNQUAMXXEX-OAHLLOKOSA-N 0 3 280.371 3.253 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000873193609 634278999 /nfs/dbraw/zinc/27/89/99/634278999.db2.gz MUZZIMIERPHREQ-MSOLQXFVSA-N 0 3 298.361 3.299 20 30 CGEDHN C#Cc1cccc(CN[C@H]2CCc3c2cccc3OC)c1 ZINC000834902992 634279958 /nfs/dbraw/zinc/27/99/58/634279958.db2.gz NDORBIUKTIBOKL-SFHVURJKSA-N 0 3 277.367 3.454 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCCCC)c1 ZINC000876613826 634868088 /nfs/dbraw/zinc/86/80/88/634868088.db2.gz VHUUAGPBZGKUSX-AWEZNQCLSA-N 0 3 296.798 3.274 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000876616225 634869185 /nfs/dbraw/zinc/86/91/85/634869185.db2.gz JTEXAWDOKKIWID-CQSZACIVSA-N 0 3 294.826 3.417 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000876665320 634877482 /nfs/dbraw/zinc/87/74/82/634877482.db2.gz TWPUTPOTQADWIY-CHWSQXEVSA-N 0 3 286.847 3.131 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000876873544 634917589 /nfs/dbraw/zinc/91/75/89/634917589.db2.gz JJNUDFJVKQPZOS-LBPRGKRZSA-N 0 3 296.798 3.232 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876892257 634922714 /nfs/dbraw/zinc/92/27/14/634922714.db2.gz IOOINIIAHWFGIJ-LBPRGKRZSA-N 0 3 285.778 3.500 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000876909404 634927720 /nfs/dbraw/zinc/92/77/20/634927720.db2.gz XWCVYFWEGXDRNM-JQWIXIFHSA-N 0 3 292.766 3.080 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CC1)c1cccc(F)c1 ZINC000877130862 634995731 /nfs/dbraw/zinc/99/57/31/634995731.db2.gz PKLIMBHIUBDJLV-CQSZACIVSA-N 0 3 296.773 3.039 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(CC)c1ccc(F)cc1 ZINC000877132944 634996177 /nfs/dbraw/zinc/99/61/77/634996177.db2.gz RRNNQTVLSINMST-UKRRQHHQSA-N 0 3 298.789 3.037 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000877230041 635016234 /nfs/dbraw/zinc/01/62/34/635016234.db2.gz VUNFYQARLBZBCI-GFCCVEGCSA-N 0 3 299.296 3.113 20 30 CGEDHN C[C@H](CCc1cncc2ccccc21)NCC1(C#N)CC1 ZINC000877493590 635059492 /nfs/dbraw/zinc/05/94/92/635059492.db2.gz GGXJLQBAERCEPR-CQSZACIVSA-N 0 3 279.387 3.449 20 30 CGEDHN N#CCC1(CNCc2cc3c(ccnc3Cl)o2)CC1 ZINC000877494762 635060306 /nfs/dbraw/zinc/06/03/06/635060306.db2.gz NQERRBVOSKNVAM-UHFFFAOYSA-N 0 3 275.739 3.265 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CC2(Cl)Cl)cc1Cl ZINC000877503604 635063694 /nfs/dbraw/zinc/06/36/94/635063694.db2.gz QWOJERXLSAZNJT-JTQLQIEISA-N 0 3 289.593 3.495 20 30 CGEDHN C[C@@H](CCC#N)CNCc1c(F)cc(F)cc1F ZINC000877553124 635086390 /nfs/dbraw/zinc/08/63/90/635086390.db2.gz XXKYFEBOIITTGF-VIFPVBQESA-N 0 3 256.271 3.133 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@]3(CCc4ccccc43)C2)o1 ZINC000877811054 635214726 /nfs/dbraw/zinc/21/47/26/635214726.db2.gz TWZZQZAXORTJRH-SFHVURJKSA-N 0 3 278.355 3.241 20 30 CGEDHN N#CC1(COC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000842359645 635342327 /nfs/dbraw/zinc/34/23/27/635342327.db2.gz VTENAOKICDCXDB-UHFFFAOYSA-N 0 3 298.386 3.133 20 30 CGEDHN CCON=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842524657 635390533 /nfs/dbraw/zinc/39/05/33/635390533.db2.gz FKXGQYXZKLAHSI-UHFFFAOYSA-N 0 3 258.365 3.208 20 30 CGEDHN C#CCCCCCN(C)Cc1ccc(Cl)nc1 ZINC000878167445 635391433 /nfs/dbraw/zinc/39/14/33/635391433.db2.gz SYSYKGZPJRDCJV-UHFFFAOYSA-N 0 3 250.773 3.360 20 30 CGEDHN C#CCCCCCN[C@@H](COC)c1ccc(CC)o1 ZINC000878409791 635494998 /nfs/dbraw/zinc/49/49/98/635494998.db2.gz NXSZMOPTYRBYMZ-HNNXBMFYSA-N 0 3 263.381 3.313 20 30 CGEDHN C=C/C=C/CCN(CC(=C)C)Cc1ccc(CO)o1 ZINC000878607631 635567781 /nfs/dbraw/zinc/56/77/81/635567781.db2.gz YESQPMRLEMAWMY-AATRIKPKSA-N 0 3 261.365 3.282 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cc(OC)ccc2F)C1 ZINC000843421825 635665263 /nfs/dbraw/zinc/66/52/63/635665263.db2.gz ABCDCHFSQSJLGR-ZDUSSCGKSA-N 0 3 261.340 3.070 20 30 CGEDHN C#CC1CCN(Cc2ccc(SC)s2)CC1 ZINC000843426655 635671737 /nfs/dbraw/zinc/67/17/37/635671737.db2.gz FOCBHZPCDBGMGM-UHFFFAOYSA-N 0 3 251.420 3.315 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000879064295 635693536 /nfs/dbraw/zinc/69/35/36/635693536.db2.gz BHSVRAJSCXAAGQ-HHXXYDBFSA-N 0 3 296.414 3.068 20 30 CGEDHN C=CCCn1cc(CN2CCCC2(CC)CC)nn1 ZINC000880093683 635912112 /nfs/dbraw/zinc/91/21/12/635912112.db2.gz GIZXOYZVOOMOOU-UHFFFAOYSA-N 0 3 262.401 3.009 20 30 CGEDHN C#CCC1(O)CCN(CCCc2ccccc2Cl)CC1 ZINC000880481559 636008901 /nfs/dbraw/zinc/00/89/01/636008901.db2.gz WMXLBRAKLNRANC-UHFFFAOYSA-N 0 3 291.822 3.123 20 30 CGEDHN C=CCC(CC=C)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845732640 636089783 /nfs/dbraw/zinc/08/97/83/636089783.db2.gz HFXXXNAQALJWAK-AWEZNQCLSA-N 0 3 265.397 3.171 20 30 CGEDHN C=CCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878138 636113154 /nfs/dbraw/zinc/11/31/54/636113154.db2.gz UQISDUCPESNKKI-QMTHXVAHSA-N 0 3 281.283 3.041 20 30 CGEDHN Cc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000846008168 636128382 /nfs/dbraw/zinc/12/83/82/636128382.db2.gz SGAXKOQWVBEQRP-MRXNPFEDSA-N 0 3 286.400 3.094 20 30 CGEDHN CC(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000846948795 636291837 /nfs/dbraw/zinc/29/18/37/636291837.db2.gz UDCJZTGMRKARCZ-UHFFFAOYSA-N 0 3 284.403 3.289 20 30 CGEDHN C#Cc1cccc(NC(=O)N2CCN(C(C)(C)CC)CC2)c1 ZINC000847110567 636340887 /nfs/dbraw/zinc/34/08/87/636340887.db2.gz BUAIVDHJWKNKPT-UHFFFAOYSA-N 0 3 299.418 3.006 20 30 CGEDHN C#Cc1cccc(CNCc2cccc3c2CCOC3)c1 ZINC000883139682 636551943 /nfs/dbraw/zinc/55/19/43/636551943.db2.gz VXFIWYMSWUDLHN-UHFFFAOYSA-N 0 3 277.367 3.030 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000848397112 636566452 /nfs/dbraw/zinc/56/64/52/636566452.db2.gz UBTCKBGJEGRAIT-INIZCTEOSA-N 0 3 281.359 3.190 20 30 CGEDHN C=CCC[C@H](NCc1noc2ccccc12)[C@H]1CCCO1 ZINC000883234089 636603607 /nfs/dbraw/zinc/60/36/07/636603607.db2.gz WGKJIMXEZVIPIF-WMLDXEAASA-N 0 3 286.375 3.431 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000883388782 636731998 /nfs/dbraw/zinc/73/19/98/636731998.db2.gz CFNMVVXHWTVKND-WCQYABFASA-N 0 3 283.799 3.326 20 30 CGEDHN CCCCCCCCNCc1cn(C2CCC2)nn1 ZINC000850012998 636928377 /nfs/dbraw/zinc/92/83/77/636928377.db2.gz VTKMRIKFIAIMNC-UHFFFAOYSA-N 0 3 264.417 3.453 20 30 CGEDHN C=CCCSCCNCc1cccnc1Cl ZINC000850354734 637024790 /nfs/dbraw/zinc/02/47/90/637024790.db2.gz XABLZZNHWUFACQ-UHFFFAOYSA-N 0 3 256.802 3.134 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@H]1C[C@H](C)n2ncnc21 ZINC000850498899 637090979 /nfs/dbraw/zinc/09/09/79/637090979.db2.gz FMSCCMCDYPHVBQ-IHRRRGAJSA-N 0 3 262.401 3.399 20 30 CGEDHN C[C@H](NCC1SCCS1)c1ccc(C#N)cc1F ZINC000850560742 637125037 /nfs/dbraw/zinc/12/50/37/637125037.db2.gz NPWILEFCWCMSPE-VIFPVBQESA-N 0 3 282.409 3.154 20 30 CGEDHN C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000109773740 637267480 /nfs/dbraw/zinc/26/74/80/637267480.db2.gz GIGQBTMZLFOCSI-UHFFFAOYSA-N 0 3 296.370 3.165 20 30 CGEDHN C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000109773740 637267485 /nfs/dbraw/zinc/26/74/85/637267485.db2.gz GIGQBTMZLFOCSI-UHFFFAOYSA-N 0 3 296.370 3.165 20 30 CGEDHN C[C@H](c1ccccc1F)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885959031 637332057 /nfs/dbraw/zinc/33/20/57/637332057.db2.gz QUFHKQWWCLBPMS-KGLIPLIRSA-N 0 3 290.382 3.263 20 30 CGEDHN Cc1[nH]nc(CNC2(c3ccc(C#N)cc3)CCC2)c1C ZINC000886155425 637440118 /nfs/dbraw/zinc/44/01/18/637440118.db2.gz FCHDJWISMSXVCS-UHFFFAOYSA-N 0 3 280.375 3.067 20 30 CGEDHN C[C@@H](COCc1ccccc1)CN(C)CC(C)(C)C#N ZINC000886217651 637462057 /nfs/dbraw/zinc/46/20/57/637462057.db2.gz FAKQTAORIVZDER-OAHLLOKOSA-N 0 3 274.408 3.321 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000886366196 637516015 /nfs/dbraw/zinc/51/60/15/637516015.db2.gz ZFCPHJBCYFMGGA-GFCCVEGCSA-N 0 3 295.304 3.277 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886608931 637603909 /nfs/dbraw/zinc/60/39/09/637603909.db2.gz IIOBYOLUYNDXRN-GOSISDBHSA-N 0 3 299.418 3.472 20 30 CGEDHN N#Cc1ccc([C@H](O)CN2CCC(c3ccco3)CC2)cc1 ZINC000852323635 637634546 /nfs/dbraw/zinc/63/45/46/637634546.db2.gz JUNUOCQCCWAOEV-QGZVFWFLSA-N 0 3 296.370 3.064 20 30 CGEDHN C=CCC1(O)CCN([C@H](C)c2ccccc2F)CC1 ZINC000886762178 637679094 /nfs/dbraw/zinc/67/90/94/637679094.db2.gz SNCKQLTXEWTNQJ-CYBMUJFWSA-N 0 3 263.356 3.290 20 30 CGEDHN C#CCCN(CCOC)Cc1cccc(C(F)(F)F)c1 ZINC000852752128 637706183 /nfs/dbraw/zinc/70/61/83/637706183.db2.gz UHVOQTFGAHSBSC-UHFFFAOYSA-N 0 3 285.309 3.177 20 30 CGEDHN C#CCCN(CCOC)Cc1cnc2ccc(C)cc2c1 ZINC000852749831 637707074 /nfs/dbraw/zinc/70/70/74/637707074.db2.gz HCJFIBNKODYKBD-UHFFFAOYSA-N 0 3 282.387 3.015 20 30 CGEDHN CCCCCCCCCC(=O)Nc1nn(C)c(C)c1CN ZINC000852900294 637723081 /nfs/dbraw/zinc/72/30/81/637723081.db2.gz UJBCTZZUFFFJAG-UHFFFAOYSA-N 0 3 294.443 3.266 20 30 CGEDHN C[C@@H](CCC#N)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887149556 637763273 /nfs/dbraw/zinc/76/32/73/637763273.db2.gz ASCOXSYHDCMPKN-AWEZNQCLSA-N 0 3 270.376 3.496 20 30 CGEDHN C#CCN1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111260976 637825555 /nfs/dbraw/zinc/82/55/55/637825555.db2.gz DZYMWSAFEWBNRV-UHFFFAOYSA-N 0 3 256.324 3.120 20 30 CGEDHN C[C@H]1CCCCN1N=C1CCCc2cc(N)ccc21 ZINC000853381791 637831604 /nfs/dbraw/zinc/83/16/04/637831604.db2.gz LSJONCDVMVCMNA-LBPRGKRZSA-N 0 3 257.381 3.184 20 30 CGEDHN CC1(CON=Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000853642153 637879796 /nfs/dbraw/zinc/87/97/96/637879796.db2.gz AKMOFYXEJQKFNF-UHFFFAOYSA-N 0 3 288.391 3.064 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(Cl)c1)C(C)C ZINC000302264699 637896862 /nfs/dbraw/zinc/89/68/62/637896862.db2.gz CGIZTLDZDOTMBW-ZDUSSCGKSA-N 0 3 251.757 3.096 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)c1nc2ccccc2[nH]1 ZINC000111943156 637990787 /nfs/dbraw/zinc/99/07/87/637990787.db2.gz SZLFKPQTQRZUOB-QWHCGFSZSA-N 0 3 297.358 3.088 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925699864 638572592 /nfs/dbraw/zinc/57/25/92/638572592.db2.gz XVNZVQKQIDXAHU-QFBILLFUSA-N 0 3 296.414 3.254 20 30 CGEDHN C#CC[C@@H](CCOC)NCc1ccc(C)cc1Cl ZINC000858333746 638684533 /nfs/dbraw/zinc/68/45/33/638684533.db2.gz ABWXPFGVSVKMRV-AWEZNQCLSA-N 0 3 265.784 3.166 20 30 CGEDHN C#CC[C@H](COC)NCc1ccc(SC(F)F)cc1 ZINC000858335562 638685325 /nfs/dbraw/zinc/68/53/25/638685325.db2.gz YMWCYZLGVBBNDK-GFCCVEGCSA-N 0 3 285.359 3.129 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)n2ncnc21 ZINC000926591089 638788977 /nfs/dbraw/zinc/78/89/77/638788977.db2.gz HQXFYNKFHHACLW-IMJJTQAJSA-N 0 3 282.391 3.061 20 30 CGEDHN C=CCCC1(CN[C@H]2C[C@@H](C)n3ncnc32)CCCC1 ZINC000926682258 638798133 /nfs/dbraw/zinc/79/81/33/638798133.db2.gz DTHCEJSPTIHSQH-KGLIPLIRSA-N 0 3 274.412 3.400 20 30 CGEDHN C[C@H]1CC2(CC(NCC3(C#N)CCCCC3)C2)CO1 ZINC000926713689 638802500 /nfs/dbraw/zinc/80/25/00/638802500.db2.gz UPTFVAPCNOQPRT-HLIUYOAVSA-N 0 3 262.397 3.008 20 30 CGEDHN CN(Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCSC1 ZINC000930094709 638974222 /nfs/dbraw/zinc/97/42/22/638974222.db2.gz TUPYUCVHIXNDJY-CYBMUJFWSA-N 0 3 266.797 3.149 20 30 CGEDHN N#CC1(CCCCN2CCOCC23CCCC3)CCC1 ZINC000930132796 638977268 /nfs/dbraw/zinc/97/72/68/638977268.db2.gz BOZLNNRDZHNYRJ-UHFFFAOYSA-N 0 3 276.424 3.496 20 30 CGEDHN CC(C)(C)C[C@H](NC[C@H](O)CC#N)c1ccccc1 ZINC000930204168 638983128 /nfs/dbraw/zinc/98/31/28/638983128.db2.gz IJPRWDGXVTYROA-CABCVRRESA-N 0 3 260.381 3.028 20 30 CGEDHN C#C[C@](C)(CC)NCc1cnc(Br)c(C)c1 ZINC000930600859 639036293 /nfs/dbraw/zinc/03/62/93/639036293.db2.gz OOZDLQNSUJIMEJ-CYBMUJFWSA-N 0 3 281.197 3.044 20 30 CGEDHN C[C@@H]1CN(CC2CCC(C#N)CC2)C[C@@](C)(C(F)F)O1 ZINC000931079382 639108549 /nfs/dbraw/zinc/10/85/49/639108549.db2.gz JPRVNVQWBBKZSK-LPXQKFACSA-N 0 3 286.366 3.061 20 30 CGEDHN C/C=C\C[C@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000931337448 639137644 /nfs/dbraw/zinc/13/76/44/639137644.db2.gz JXZQLKFFKJFEQB-SFAKSCPVSA-N 0 3 255.365 3.131 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000932177525 639288319 /nfs/dbraw/zinc/28/83/19/639288319.db2.gz AXGGAZFWMAQDFL-LLVKDONJSA-N 0 3 261.325 3.185 20 30 CGEDHN C=CC[C@H](C=C)OC(=O)c1cccc(CN(C)C)c1 ZINC000860928640 639469326 /nfs/dbraw/zinc/46/93/26/639469326.db2.gz JDYFSUCAWWFAFN-HNNXBMFYSA-N 0 3 259.349 3.036 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCOC23CCCC3)c(Cl)c1 ZINC000934383393 639598724 /nfs/dbraw/zinc/59/87/24/639598724.db2.gz YBQXWXRXDMBPFR-OAHLLOKOSA-N 0 3 290.794 3.403 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2sccc2CC)CC1 ZINC001006443577 640226871 /nfs/dbraw/zinc/22/68/71/640226871.db2.gz NKQMPRWWZOBUBP-UHFFFAOYSA-N 0 3 292.448 3.033 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C)o2)cc1 ZINC000193448703 640458976 /nfs/dbraw/zinc/45/89/76/640458976.db2.gz YAXUYUOZCKCQRQ-AWEZNQCLSA-N 0 3 296.326 3.112 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001009195408 640956361 /nfs/dbraw/zinc/95/63/61/640956361.db2.gz LTPRDTSYQNXUTN-AWEZNQCLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015674247 640983771 /nfs/dbraw/zinc/98/37/71/640983771.db2.gz XGFJHIRIGALNQB-INIZCTEOSA-N 0 3 288.435 3.034 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C ZINC001017864545 641017868 /nfs/dbraw/zinc/01/78/68/641017868.db2.gz KHNGEDGJGWXRRZ-MWDXBVQZSA-N 0 3 290.451 3.064 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)CC1CCCC1 ZINC001155607573 805596542 /nfs/dbraw/zinc/59/65/42/805596542.db2.gz QZAPRCBDIJPQSA-NVXWUHKLSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)CC(C)C ZINC001156667906 805724244 /nfs/dbraw/zinc/72/42/44/805724244.db2.gz JDQZQSXXHXRAQK-HNNXBMFYSA-N 0 3 268.445 3.025 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001157498613 805824994 /nfs/dbraw/zinc/82/49/94/805824994.db2.gz AWWPKNCYIGDQAJ-QGZVFWFLSA-N 0 3 286.419 3.108 20 30 CGEDHN C=C[C@@H](NC[C@@H](O)COc1ccccc1C)c1ccccc1 ZINC001251748403 805928964 /nfs/dbraw/zinc/92/89/64/805928964.db2.gz MXFGVCKBOPCDOT-QZTJIDSGSA-N 0 3 297.398 3.252 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001158689755 805986608 /nfs/dbraw/zinc/98/66/08/805986608.db2.gz QWDQYEDVFMSJES-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN CCCCCCCC[C@H](O)CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001252125809 806012848 /nfs/dbraw/zinc/01/28/48/806012848.db2.gz HDQIWUAVJXXLCV-VGWMRTNUSA-N 0 3 271.420 3.388 20 30 CGEDHN C=C[C@](C)(O)CN1CCC[C@@H]1c1ccc(Cl)s1 ZINC001252554998 806064134 /nfs/dbraw/zinc/06/41/34/806064134.db2.gz NQPOQVZNIOSGID-MFKMUULPSA-N 0 3 271.813 3.475 20 30 CGEDHN C=C[C@](C)(O)CN1CCC[C@H]1c1ccc(Cl)s1 ZINC001252554996 806064627 /nfs/dbraw/zinc/06/46/27/806064627.db2.gz NQPOQVZNIOSGID-GWCFXTLKSA-N 0 3 271.813 3.475 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1CCOC[C@@H]1C(C)C ZINC001253240402 806190131 /nfs/dbraw/zinc/19/01/31/806190131.db2.gz KPOVCBUNUZIVPW-DLBZAZTESA-N 0 3 283.456 3.231 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ccc(C)cn1 ZINC001253247370 806193561 /nfs/dbraw/zinc/19/35/61/806193561.db2.gz IOFZAEHNYBCKSG-QGZVFWFLSA-N 0 3 276.424 3.367 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ccc(OC)cn1 ZINC001253252668 806196505 /nfs/dbraw/zinc/19/65/05/806196505.db2.gz ZIXOMDLNGLNWCO-MRXNPFEDSA-N 0 3 292.423 3.067 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)c2c(C)cccc2C)CC1 ZINC001161301192 806363695 /nfs/dbraw/zinc/36/36/95/806363695.db2.gz NUTLDUXTDUXWNC-UHFFFAOYSA-N 0 3 298.430 3.241 20 30 CGEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](CC#N)C1 ZINC001254558491 806449545 /nfs/dbraw/zinc/44/95/45/806449545.db2.gz BTBDNCNRPNQPBM-UONOGXRCSA-N 0 3 287.363 3.151 20 30 CGEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C#N)CC1 ZINC001254559488 806449687 /nfs/dbraw/zinc/44/96/87/806449687.db2.gz KBYNKSCNCZNKRF-UONOGXRCSA-N 0 3 287.363 3.151 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NC2(c3ccccc3F)CCOCC2)C1 ZINC001254648385 806472859 /nfs/dbraw/zinc/47/28/59/806472859.db2.gz HQEFKXUPKYOOET-ZIAGYGMSSA-N 0 3 288.366 3.113 20 30 CGEDHN COc1ccccc1[C@H](C)N(C)[C@@H]1CC[C@H](C#N)C1 ZINC001254668223 806480097 /nfs/dbraw/zinc/48/00/97/806480097.db2.gz FLRXYRSYCBCLOA-MELADBBJSA-N 0 3 258.365 3.380 20 30 CGEDHN N#Cc1ccccc1O[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254671433 806481029 /nfs/dbraw/zinc/48/10/29/806481029.db2.gz REKPYOGBOHBWOE-HYVNUMGLSA-N 0 3 295.386 3.094 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001162150488 806515284 /nfs/dbraw/zinc/51/52/84/806515284.db2.gz PAMSWHUQLSQYDB-KGLIPLIRSA-N 0 3 298.858 3.073 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC001255019623 806527557 /nfs/dbraw/zinc/52/75/57/806527557.db2.gz RURCURBEVGMFDT-XJKSGUPXSA-N 0 3 285.391 3.032 20 30 CGEDHN CN1CCC[C@@](C)(Nc2nc(Cl)cc(Cl)c2C#N)C1 ZINC001162338619 806558277 /nfs/dbraw/zinc/55/82/77/806558277.db2.gz COOLXHLBQXEJMZ-CYBMUJFWSA-N 0 3 299.205 3.156 20 30 CGEDHN CC[C@@H](CC#N)N1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001255173935 806566251 /nfs/dbraw/zinc/56/62/51/806566251.db2.gz GJDJQASBSITWBQ-HKUYNNGSSA-N 0 3 297.446 3.374 20 30 CGEDHN C=C(C)CN[C@@H]1CCOc2ccc(Br)cc21 ZINC000167442712 799086252 /nfs/dbraw/zinc/08/62/52/799086252.db2.gz LSCQANFXQQYBNA-GFCCVEGCSA-N 0 3 282.181 3.438 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400362549 799545681 /nfs/dbraw/zinc/54/56/81/799545681.db2.gz QKTXXBSXXFSDGR-NEPJUHHUSA-N 0 3 288.819 3.117 20 30 CGEDHN C[C@@H](Cc1ccccc1F)N1CCC[C@@H](CC#N)C1 ZINC001255851834 806769311 /nfs/dbraw/zinc/76/93/11/806769311.db2.gz XNNLIKLKLMCTIG-KBPBESRZSA-N 0 3 260.356 3.382 20 30 CGEDHN CCN(C[C@H](C)C#N)C[C@H]1CC(C)(C)OC1(C)C ZINC000711277225 800051218 /nfs/dbraw/zinc/05/12/18/800051218.db2.gz HCDCXACDLSIHKF-CHWSQXEVSA-N 0 3 252.402 3.062 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccccc1C ZINC001024307470 800722854 /nfs/dbraw/zinc/72/28/54/800722854.db2.gz WFGNVZONKIKTKX-MRXNPFEDSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1occc1Cl ZINC001024636205 800733426 /nfs/dbraw/zinc/73/34/26/800733426.db2.gz PCHJFEPFROFCEI-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001024824646 800737497 /nfs/dbraw/zinc/73/74/97/800737497.db2.gz SJRCZFANVJZAKF-LBPRGKRZSA-N 0 3 296.411 3.048 20 30 CGEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214792 800750259 /nfs/dbraw/zinc/75/02/59/800750259.db2.gz FJPVZGPTIKMBNH-CABCVRRESA-N 0 3 294.414 3.281 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001027898842 800825606 /nfs/dbraw/zinc/82/56/06/800825606.db2.gz PRSONBJSCAPZOB-ZDUSSCGKSA-N 0 3 292.810 3.029 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC1(C)C ZINC001032573845 800930528 /nfs/dbraw/zinc/93/05/28/800930528.db2.gz UIKANKSEWKNGNX-HRCADAONSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)cc1 ZINC001032762443 800937179 /nfs/dbraw/zinc/93/71/79/800937179.db2.gz LGYYMDMKPRUHCO-ROUUACIJSA-N 0 3 298.430 3.114 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033606308 800969516 /nfs/dbraw/zinc/96/95/16/800969516.db2.gz LFFQTJURWHMKEI-HNNXBMFYSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033631911 800971817 /nfs/dbraw/zinc/97/18/17/800971817.db2.gz XCBNIINJAWGAKQ-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033943408 800991190 /nfs/dbraw/zinc/99/11/90/800991190.db2.gz MHDNGDQCMCWFPH-UYSNPLJNSA-N 0 3 296.430 3.014 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034043162 800994133 /nfs/dbraw/zinc/99/41/33/800994133.db2.gz XPYFZZPPYMHBMQ-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001034395783 801025100 /nfs/dbraw/zinc/02/51/00/801025100.db2.gz ZEDNPNZKYFPBIJ-UKRRQHHQSA-N 0 3 292.448 3.008 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(CC)CCC1)CC2 ZINC001035774948 801060545 /nfs/dbraw/zinc/06/05/45/801060545.db2.gz OKLQBCBGOJTYMA-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039059001 801143973 /nfs/dbraw/zinc/14/39/73/801143973.db2.gz CREXQNZPRHXJPG-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001045439404 801276305 /nfs/dbraw/zinc/27/63/05/801276305.db2.gz LNOAQDVBWGZDGV-HNNXBMFYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cscc2Cl)C1 ZINC001046403934 801310647 /nfs/dbraw/zinc/31/06/47/801310647.db2.gz STYVAWWVXSJOOJ-CQSZACIVSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)C2CCCCCCC2)C1 ZINC001046470333 801311233 /nfs/dbraw/zinc/31/12/33/801311233.db2.gz JNCCVBNQCOMKQB-QGZVFWFLSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001046771332 801322609 /nfs/dbraw/zinc/32/26/09/801322609.db2.gz OTEVIJXIYQIXGU-LJQANCHMSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1=CCCCCC1 ZINC001049446645 801374417 /nfs/dbraw/zinc/37/44/17/801374417.db2.gz YAWDXHSGCOVNBH-SJORKVTESA-N 0 3 288.435 3.128 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049860283 801390324 /nfs/dbraw/zinc/39/03/24/801390324.db2.gz RTUKKKSPCSGMNL-BPQIPLTHSA-N 0 3 298.430 3.041 20 30 CGEDHN C[C@H]1C[C@H](NC2=CC(=O)CCC2)CCN1Cc1ccccc1 ZINC001256524005 806909180 /nfs/dbraw/zinc/90/91/80/806909180.db2.gz RUUUQVNLTPLLDU-MAUKXSAKSA-N 0 3 298.430 3.266 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)oc2C)CC[C@H]1C ZINC001071333778 801529529 /nfs/dbraw/zinc/52/95/29/801529529.db2.gz BDAVOJFKPODJPH-DOMZBBRYSA-N 0 3 290.407 3.055 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373731 801532747 /nfs/dbraw/zinc/53/27/47/801532747.db2.gz NQXJAAZPORAYCF-RDJZCZTQSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@H]1C ZINC001071414682 801534177 /nfs/dbraw/zinc/53/41/77/801534177.db2.gz VQKRIPMDHBLPAD-KGLIPLIRSA-N 0 3 292.467 3.214 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C2CCC2)CC[C@@H]1C ZINC001071708145 801544429 /nfs/dbraw/zinc/54/44/29/801544429.db2.gz AQIWAUNXXJXAMT-HOCLYGCPSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CC3(CCC3)C2)CC[C@@H]1C ZINC001071740951 801548161 /nfs/dbraw/zinc/54/81/61/801548161.db2.gz CBUKVJDRSJJGTH-GOEBONIOSA-N 0 3 290.451 3.112 20 30 CGEDHN CCC[C@](C)(C#N)NC1CCN(Cc2ccccc2)CC1 ZINC001256601934 806923565 /nfs/dbraw/zinc/92/35/65/806923565.db2.gz KWGSODNKEHXYBA-GOSISDBHSA-N 0 3 285.435 3.323 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001080516217 801654124 /nfs/dbraw/zinc/65/41/24/801654124.db2.gz YXSFULVRWXMDGP-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085610701 801696324 /nfs/dbraw/zinc/69/63/24/801696324.db2.gz ZLMLCFIYWBVCKZ-MRXNPFEDSA-N 0 3 298.386 3.155 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001085833881 801707342 /nfs/dbraw/zinc/70/73/42/801707342.db2.gz WAKLMCODHDYJMZ-QGZVFWFLSA-N 0 3 284.403 3.052 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001086461990 801729455 /nfs/dbraw/zinc/72/94/55/801729455.db2.gz GXVRJPZGOUHSDC-MHEUCROKSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1CC ZINC001087487064 801750804 /nfs/dbraw/zinc/75/08/04/801750804.db2.gz MECGQHZUEZEPOC-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC001088554362 801802156 /nfs/dbraw/zinc/80/21/56/801802156.db2.gz GNFVHFLDFJRANG-YPMHNXCESA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001095983348 801888400 /nfs/dbraw/zinc/88/84/00/801888400.db2.gz XAPUVBXTGAFFRJ-WCVJEAGWSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC1(C)C)C2 ZINC001097667063 801901183 /nfs/dbraw/zinc/90/11/83/801901183.db2.gz MZKNYYPUKLWYQU-QXSJWSMHSA-N 0 3 290.451 3.110 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC(C)C ZINC001099286371 801936578 /nfs/dbraw/zinc/93/65/78/801936578.db2.gz VPFHUNSABUEHMQ-HZPDHXFCSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CC(C)(C)C2CC2)C1 ZINC001100306240 801946377 /nfs/dbraw/zinc/94/63/77/801946377.db2.gz JRKHRSFOROEDHV-UHFFFAOYSA-N 0 3 298.858 3.050 20 30 CGEDHN CCCCCCCCC[C@@H](C)N[C@](N)(CC)CO ZINC001258230997 807378035 /nfs/dbraw/zinc/37/80/35/807378035.db2.gz FQBLVGYJHQAXEZ-HUUCEWRRSA-N 0 3 258.450 3.163 20 30 CGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccs1)C2 ZINC001108879951 802102752 /nfs/dbraw/zinc/10/27/52/802102752.db2.gz BDHKKSGGYXLVEO-RDBSUJKOSA-N 0 3 290.432 3.049 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)c2ccco2)CCCCC1 ZINC001115382985 802258281 /nfs/dbraw/zinc/25/82/81/802258281.db2.gz QLRUWQCBUQGASR-UHFFFAOYSA-N 0 3 296.798 3.054 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)CCCC)CCCCC1 ZINC001115411108 802260669 /nfs/dbraw/zinc/26/06/69/802260669.db2.gz LPUOAPITZTUAGZ-UHFFFAOYSA-N 0 3 286.847 3.338 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]2CC)CCCCC1 ZINC001115739226 802276370 /nfs/dbraw/zinc/27/63/70/802276370.db2.gz ZSOFBCMMOCHYHR-ZIAGYGMSSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CCC)CC1 ZINC001116191190 802309044 /nfs/dbraw/zinc/30/90/44/802309044.db2.gz QVZKOGOTDGYIMH-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN Cc1c([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC001116478134 802361989 /nfs/dbraw/zinc/36/19/89/802361989.db2.gz XAVPDDQLMNARSL-SGTLLEGYSA-N 0 3 294.402 3.328 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)CC2(C)CC2)CC1 ZINC001266388778 808254313 /nfs/dbraw/zinc/25/43/13/808254313.db2.gz QWGVHWKUSYTDNL-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1CC ZINC001122036104 802858161 /nfs/dbraw/zinc/85/81/61/802858161.db2.gz NULUYXPROUNSIF-IRXDYDNUSA-N 0 3 286.419 3.034 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001123335991 802930392 /nfs/dbraw/zinc/93/03/92/802930392.db2.gz AVOPSSIOJIQRBQ-ZOBORPQBSA-N 0 3 273.380 3.152 20 30 CGEDHN C=C(CC)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC001123495261 802950819 /nfs/dbraw/zinc/95/08/19/802950819.db2.gz JLHYGLPKIPLTTI-AWEZNQCLSA-N 0 3 280.437 3.213 20 30 CGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC001123657498 802961219 /nfs/dbraw/zinc/96/12/19/802961219.db2.gz OBYUHCSCPVCYCL-UHFFFAOYSA-N 0 3 294.464 3.241 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001126219144 803087345 /nfs/dbraw/zinc/08/73/45/803087345.db2.gz YWMOSJGSFMZJTQ-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCNCc1cccc(Cl)c1 ZINC001128242490 803182637 /nfs/dbraw/zinc/18/26/37/803182637.db2.gz QQPXRYJFGYLQQF-UHFFFAOYSA-N 0 3 294.826 3.148 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132332852 803396065 /nfs/dbraw/zinc/39/60/65/803396065.db2.gz XKBJYHNBJOGYJV-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN C#CCCN1C[C@H](NC(=O)C(CC)(CC)CC)CC[C@H]1C ZINC001132383946 803399611 /nfs/dbraw/zinc/39/96/11/803399611.db2.gz GNRYOWPIWOQKLF-HZPDHXFCSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001133382892 803472455 /nfs/dbraw/zinc/47/24/55/803472455.db2.gz CMSFBOLDJPABAZ-CXAGYDPISA-N 0 3 292.398 3.195 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCN(C)C(C)(C)C1 ZINC001138665311 803996475 /nfs/dbraw/zinc/99/64/75/803996475.db2.gz MIFKLOHYLGGKSO-UHFFFAOYSA-N 0 3 288.435 3.168 20 30 CGEDHN C=C(C)COc1ccccc1CN(CCOC)C(C)C ZINC001138664359 803996711 /nfs/dbraw/zinc/99/67/11/803996711.db2.gz OJODSZMTTGFZLQ-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN CC(C)c1nc(CN2CCC3SC(=O)C=C3C2)cs1 ZINC001138882900 804061084 /nfs/dbraw/zinc/06/10/84/804061084.db2.gz BFNLSLAUBAFASN-LBPRGKRZSA-N 0 3 294.445 3.041 20 30 CGEDHN CCCCCCCCC[C@@H](C)N[C@@H]1CNCCC1=O ZINC001246293067 804262667 /nfs/dbraw/zinc/26/26/67/804262667.db2.gz OVIQEKSPANTFOA-HUUCEWRRSA-N 0 3 268.445 3.036 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CCC)C(C)C ZINC001139869575 804304377 /nfs/dbraw/zinc/30/43/77/804304377.db2.gz LVQOAKDUJYBBRD-OAHLLOKOSA-N 0 3 268.445 3.025 20 30 CGEDHN Cc1ccc(CN2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001140947964 804555396 /nfs/dbraw/zinc/55/53/96/804555396.db2.gz NKVPTVPWELBOJF-UHFFFAOYSA-N 0 3 278.355 3.131 20 30 CGEDHN Cc1cc([C@@H]2CCCN2C2CCC(C#N)CC2)no1 ZINC001256965264 807019039 /nfs/dbraw/zinc/01/90/39/807019039.db2.gz OPFZHHFPPDMQKA-PIMMBPRGSA-N 0 3 259.353 3.202 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc(-c3ncccn3)c2)C1 ZINC001140980055 804562131 /nfs/dbraw/zinc/56/21/31/804562131.db2.gz LCKYRGZYHPOKBI-OAHLLOKOSA-N 0 3 292.386 3.269 20 30 CGEDHN N#Cc1c(N)sc(CN2CC3CCC(CC3)C2)c1Cl ZINC001141113461 804592425 /nfs/dbraw/zinc/59/24/25/804592425.db2.gz ZEIRWCCQVRYJHY-UHFFFAOYSA-N 0 3 295.839 3.477 20 30 CGEDHN CC(C)N(Cc1sc(N)c(C#N)c1Cl)C(C)C ZINC001141109498 804592489 /nfs/dbraw/zinc/59/24/89/804592489.db2.gz SQCUVNMAXZTHQP-UHFFFAOYSA-N 0 3 271.817 3.474 20 30 CGEDHN COc1ccc2nccc(CN3CCC[C@@H](CC#N)C3)c2c1 ZINC001141150927 804598455 /nfs/dbraw/zinc/59/84/55/804598455.db2.gz TXVRPYQPHJALHR-AWEZNQCLSA-N 0 3 295.386 3.369 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc(-c3ncccn3)cc2)C1 ZINC001141189533 804606596 /nfs/dbraw/zinc/60/65/96/804606596.db2.gz VITQNEZPWSMMFH-OAHLLOKOSA-N 0 3 292.386 3.269 20 30 CGEDHN C=CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC001141705583 804665268 /nfs/dbraw/zinc/66/52/68/804665268.db2.gz RSRJOUQPYUEHSI-XHSDSOJGSA-N 0 3 286.419 3.467 20 30 CGEDHN C[C@]1(O)CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972328 804683255 /nfs/dbraw/zinc/68/32/55/804683255.db2.gz HAFNFVGSKATZPU-SFHVURJKSA-N 0 3 297.423 3.105 20 30 CGEDHN N#Cc1coc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001256806367 806981520 /nfs/dbraw/zinc/98/15/20/806981520.db2.gz ZRLZDMKVPDUMFN-DOTOQJQBSA-N 0 3 282.343 3.161 20 30 CGEDHN CN(Cc1cccc(C#N)c1)Cc1ccnc2[nH]ccc21 ZINC001142883806 804780500 /nfs/dbraw/zinc/78/05/00/804780500.db2.gz PNRMSBHSIJSTJU-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(Cl)cn2ccnc12 ZINC001248451711 804934749 /nfs/dbraw/zinc/93/47/49/804934749.db2.gz ICCTUUWJDFKFSG-UHFFFAOYSA-N 0 3 263.772 3.386 20 30 CGEDHN COc1cccc(CCCN(C)Cc2cncc(C#N)c2)c1 ZINC001144083886 804935600 /nfs/dbraw/zinc/93/56/00/804935600.db2.gz VRWBMWVQMJOFCS-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN Fc1ccc2occc2c1CN1CCC(S)CC1 ZINC001248539042 804945660 /nfs/dbraw/zinc/94/56/60/804945660.db2.gz KTZJFGRPCPYLIJ-UHFFFAOYSA-N 0 3 265.353 3.466 20 30 CGEDHN Cc1noc2ccc(CN3CCC[C@H](C#N)CC3)cc12 ZINC001248706591 804971275 /nfs/dbraw/zinc/97/12/75/804971275.db2.gz ZRABNINNAOZVSA-ZDUSSCGKSA-N 0 3 269.348 3.262 20 30 CGEDHN CC1(C)CN(Cc2cc3ccc(C#N)cc3[nH]2)CCCO1 ZINC001249429351 805146666 /nfs/dbraw/zinc/14/66/66/805146666.db2.gz YEBMGTBNXPEWNW-UHFFFAOYSA-N 0 3 283.375 3.040 20 30 CGEDHN C[C@H]1C[C@H]2CN(Cc3cc4ccc(C#N)cc4[nH]3)CC[C@H]2O1 ZINC001249427709 805146845 /nfs/dbraw/zinc/14/68/45/805146845.db2.gz NFVYJGAHLUEENL-XLWVJDPXSA-N 0 3 295.386 3.039 20 30 CGEDHN N#Cc1ccc2cc(CN3CC[C@@]4(CC4(F)F)C3)[nH]c2c1 ZINC001249429286 805147571 /nfs/dbraw/zinc/14/75/71/805147571.db2.gz UXGBWGTXQDKRLO-OAHLLOKOSA-N 0 3 287.313 3.271 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)CCCCCC ZINC001154596971 805466405 /nfs/dbraw/zinc/46/64/05/805466405.db2.gz UXTCVRGMQZFTNV-IAGOWNOFSA-N 0 3 294.483 3.443 20 30 CGEDHN N#Cc1ccc(F)c(NCC2CN(Cc3ccccc3)C2)c1 ZINC001165441807 807003356 /nfs/dbraw/zinc/00/33/56/807003356.db2.gz DCLNFBHOJMVSLY-UHFFFAOYSA-N 0 3 295.361 3.241 20 30 CGEDHN C=C[C@@H](N[C@@H]1CC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC001257043045 807036018 /nfs/dbraw/zinc/03/60/18/807036018.db2.gz GWQLNKBPBFGKMV-BZUAXINKSA-N 0 3 273.376 3.235 20 30 CGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H](CC)CCC ZINC001257263605 807077380 /nfs/dbraw/zinc/07/73/80/807077380.db2.gz UOYQCZOFNLHGSZ-GOEBONIOSA-N 0 3 291.439 3.101 20 30 CGEDHN CCCCOC(=O)CC[C@@H](C)NCC#Cc1ccccc1 ZINC001257386783 807134407 /nfs/dbraw/zinc/13/44/07/807134407.db2.gz YULGFAFERPKOEM-MRXNPFEDSA-N 0 3 287.403 3.140 20 30 CGEDHN CC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001257448525 807162250 /nfs/dbraw/zinc/16/22/50/807162250.db2.gz ULCWDCPBYRZVRW-ZDUSSCGKSA-N 0 3 260.356 3.481 20 30 CGEDHN CCC[C@@H](C)CC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001257478880 807176519 /nfs/dbraw/zinc/17/65/19/807176519.db2.gz UOMSRMLOAMZIQO-MCIONIFRSA-N 0 3 272.433 3.101 20 30 CGEDHN C=C1C[C@@H]2CC([NH2+]Cc3ccc(O)cc3[O-])C[C@H](C1)C2 ZINC001257888396 807239845 /nfs/dbraw/zinc/23/98/45/807239845.db2.gz KRMKXAUFAXMGCJ-NNQSOWQGSA-N 0 3 273.376 3.322 20 30 CGEDHN C=CCC[C@H](C)N1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001258728936 807576435 /nfs/dbraw/zinc/57/64/35/807576435.db2.gz RJOAXUGXSVLZGF-RRFJBIMHSA-N 0 3 294.439 3.425 20 30 CGEDHN C#C[C@](C)(CC)Nc1cc(CN2CCCCC2)ccn1 ZINC001169692950 807688479 /nfs/dbraw/zinc/68/84/79/807688479.db2.gz QPXFIVFOLMIAFK-QGZVFWFLSA-N 0 3 271.408 3.281 20 30 CGEDHN C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)C1CC1 ZINC001261414305 807741325 /nfs/dbraw/zinc/74/13/25/807741325.db2.gz QGSKUWZXGCBZMF-SFHVURJKSA-N 0 3 298.430 3.078 20 30 CGEDHN C[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)c1cccc(C#N)c1 ZINC001262047409 807814104 /nfs/dbraw/zinc/81/41/04/807814104.db2.gz OTPJSGCOVJYVNA-DYVFJYSZSA-N 0 3 299.418 3.033 20 30 CGEDHN CCCCCCCN1CCN(c2cccc(F)n2)CC1 ZINC001170469029 807846736 /nfs/dbraw/zinc/84/67/36/807846736.db2.gz KVJMYEWRFUKVGY-UHFFFAOYSA-N 0 3 279.403 3.313 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)c1ccc(SC)cc1 ZINC001263083627 807932321 /nfs/dbraw/zinc/93/23/21/807932321.db2.gz UFOLOOADFBWYMM-AWEZNQCLSA-N 0 3 278.421 3.055 20 30 CGEDHN N#CC(C(=O)[C@H]1CC12CC2)c1nc2c(cccc2Cl)[nH]1 ZINC001263619875 807980103 /nfs/dbraw/zinc/98/01/03/807980103.db2.gz FYCNSMGTFSFJCS-RKDXNWHRSA-N 0 3 285.734 3.193 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)Nc1cccc(F)c1CN ZINC001171178722 808001180 /nfs/dbraw/zinc/00/11/80/808001180.db2.gz KGFOESZFUKWZMP-GFCCVEGCSA-N 0 3 283.350 3.199 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCOc1ccccc1 ZINC001171191799 808005338 /nfs/dbraw/zinc/00/53/38/808005338.db2.gz FOCCRLVBVKQMFL-CQSZACIVSA-N 0 3 266.344 3.115 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001263832111 808009817 /nfs/dbraw/zinc/00/98/17/808009817.db2.gz JRKHRSFOROEDHV-XBXGTLAGSA-N 0 3 298.858 3.050 20 30 CGEDHN Cc1cc(C)c(C)c(NC(=N)c2ccc(C(N)=O)cc2)c1C ZINC001171255999 808016800 /nfs/dbraw/zinc/01/68/00/808016800.db2.gz CHYUYGXWMHANRU-UHFFFAOYSA-N 0 3 295.386 3.056 20 30 CGEDHN N#CC1(CN[C@H]2CCc3c(F)cc(F)cc3C2)CCC1 ZINC001171336857 808030691 /nfs/dbraw/zinc/03/06/91/808030691.db2.gz NGSACWPAXVLCNN-ZDUSSCGKSA-N 0 3 276.330 3.106 20 30 CGEDHN N#C[C@@H]1CCCN([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171492669 808075927 /nfs/dbraw/zinc/07/59/27/808075927.db2.gz GYTIZTAIUZNXCM-IUODEOHRSA-N 0 3 290.357 3.448 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001265306381 808128762 /nfs/dbraw/zinc/12/87/62/808128762.db2.gz OKDNIEYHSVSOTA-INIZCTEOSA-N 0 3 280.456 3.360 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCC(=O)c1ccc(F)cc1 ZINC001172291810 808216832 /nfs/dbraw/zinc/21/68/32/808216832.db2.gz AEFSMYAIJFCGPP-ZDUSSCGKSA-N 0 3 296.345 3.101 20 30 CGEDHN CC(C)Cn1cnc(CN[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172299215 808219664 /nfs/dbraw/zinc/21/96/64/808219664.db2.gz IJWXUYDOOAAIKO-HNNXBMFYSA-N 0 3 296.418 3.132 20 30 CGEDHN CC(C)n1cnc(CN[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172299287 808219874 /nfs/dbraw/zinc/21/98/74/808219874.db2.gz JHKREGLHMLYSIL-CQSZACIVSA-N 0 3 282.391 3.056 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCCC1(C)C ZINC001266170189 808222588 /nfs/dbraw/zinc/22/25/88/808222588.db2.gz OGQNLJCKJUGZIF-QWHCGFSZSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccoc1CCC ZINC001266182926 808223674 /nfs/dbraw/zinc/22/36/74/808223674.db2.gz RXEBMGOQABODFC-GFCCVEGCSA-N 0 3 298.814 3.083 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@H](C)[C@H](F)C1 ZINC001172316978 808226895 /nfs/dbraw/zinc/22/68/95/808226895.db2.gz ZJIPQZLPAUOBMO-XJKCOSOUSA-N 0 3 260.356 3.169 20 30 CGEDHN C#CCCCC(=O)N[C@H]1CCCN([C@H](C)c2ccccc2)C1 ZINC001266215319 808228881 /nfs/dbraw/zinc/22/88/81/808228881.db2.gz JELCYKJTNLUKTF-AEFFLSMTSA-N 0 3 298.430 3.132 20 30 CGEDHN CCCCCCC[C@H](CC)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001172360139 808255277 /nfs/dbraw/zinc/25/52/77/808255277.db2.gz KTUVTFKYHJGBEY-XHSDSOJGSA-N 0 3 281.440 3.273 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCCC(C)C)C1 ZINC001266628681 808299150 /nfs/dbraw/zinc/29/91/50/808299150.db2.gz OMBLRULNWBOJCF-HDJSIYSDSA-N 0 3 286.847 3.192 20 30 CGEDHN C=CCN1CCCC[C@H]1CNC(=O)CC1(C)CCCC1 ZINC001266839527 808321892 /nfs/dbraw/zinc/32/18/92/808321892.db2.gz CLKXAMWKTWQTKM-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CC(CC)CC ZINC001266857394 808325803 /nfs/dbraw/zinc/32/58/03/808325803.db2.gz LQMTWOSBYOXWIS-INIZCTEOSA-N 0 3 280.456 3.360 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCCCCCCC)C1 ZINC001267113942 808361758 /nfs/dbraw/zinc/36/17/58/808361758.db2.gz VJAZAMGQGRKCSD-KRWDZBQOSA-N 0 3 292.467 3.293 20 30 CGEDHN C=C[C@H](C(=O)N[C@@H]1CCCN(CC(=C)C)C1)c1ccccc1 ZINC001267622116 808461427 /nfs/dbraw/zinc/46/14/27/808461427.db2.gz MUKUJVDUUCHBKN-MSOLQXFVSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCCC(=O)NCC1CN(Cc2ccccc2C2CC2)C1 ZINC001267676384 808469570 /nfs/dbraw/zinc/46/95/70/808469570.db2.gz ISSISYMKGDEPKE-UHFFFAOYSA-N 0 3 298.430 3.078 20 30 CGEDHN C#CCN(C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172883711 808474618 /nfs/dbraw/zinc/47/46/18/808474618.db2.gz VRDSOICKHMUJAU-NSHDSACASA-N 0 3 253.798 3.386 20 30 CGEDHN CCCOC1CCC(N(CCC)CCC#N)CC1 ZINC001173099197 808508112 /nfs/dbraw/zinc/50/81/12/808508112.db2.gz BHDADGXSEQHQAS-UHFFFAOYSA-N 0 3 252.402 3.350 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001268237158 808565278 /nfs/dbraw/zinc/56/52/78/808565278.db2.gz XTDNILZCCACRJM-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C#CCCN(C)CCN(C)C(=O)[C@H](CC)CC1CCCC1 ZINC001268252830 808569695 /nfs/dbraw/zinc/56/96/95/808569695.db2.gz DRKWSKGFIFHAIG-QGZVFWFLSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCOC1CCC(N2CCC[C@@H]2c2ncccn2)CC1 ZINC001173325645 808612810 /nfs/dbraw/zinc/61/28/10/808612810.db2.gz OOYLOBFQQJSORO-UYSNPLJNSA-N 0 3 287.407 3.127 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C)cc1C ZINC001268934964 808636935 /nfs/dbraw/zinc/63/69/35/808636935.db2.gz SXWPCAVOXVGWEH-UHFFFAOYSA-N 0 3 294.826 3.108 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001268958395 808637504 /nfs/dbraw/zinc/63/75/04/808637504.db2.gz JIQMWQNSXUQQML-INIZCTEOSA-N 0 3 298.858 3.314 20 30 CGEDHN C[N@H+](Cc1ccccc1[O-])C1CCC(C)(C#N)CC1 ZINC001173598282 808650776 /nfs/dbraw/zinc/65/07/76/808650776.db2.gz OOFAYYNHUSWVHV-UHFFFAOYSA-N 0 3 258.365 3.296 20 30 CGEDHN C[N@@H+](Cc1ccccc1[O-])C1CCC(C)(C#N)CC1 ZINC001173598282 808650778 /nfs/dbraw/zinc/65/07/78/808650778.db2.gz OOFAYYNHUSWVHV-UHFFFAOYSA-N 0 3 258.365 3.296 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCCCC(C)(C)C ZINC001269241838 808660702 /nfs/dbraw/zinc/66/07/02/808660702.db2.gz YDFXXPBECJJZEF-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001272152514 808799393 /nfs/dbraw/zinc/79/93/93/808799393.db2.gz XFHNMKMVHVYBJY-CQSZACIVSA-N 0 3 268.445 3.025 20 30 CGEDHN C=CCCCN1CCCC[C@]12CC(=O)N(C1CCCC1)C2 ZINC001273487644 808848858 /nfs/dbraw/zinc/84/88/58/808848858.db2.gz NPMPRRNNEQTCRI-GOSISDBHSA-N 0 3 290.451 3.352 20 30 CGEDHN C=C1CC(C)(C(=O)NCc2ccc3c(c2)CN(CCC)C3)C1 ZINC001274034778 808868387 /nfs/dbraw/zinc/86/83/87/808868387.db2.gz AAOJNLKLAPBTLF-UHFFFAOYSA-N 0 3 298.430 3.385 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)c1ccccc1 ZINC001274815582 808888830 /nfs/dbraw/zinc/88/88/30/808888830.db2.gz FTKPYZONQBKPGR-KBPBESRZSA-N 0 3 294.826 3.027 20 30 CGEDHN CCCCCCCN1CC2(C1)CCN(C(=O)NC(C)C)C2 ZINC001275131878 808914080 /nfs/dbraw/zinc/91/40/80/808914080.db2.gz ZMXJBVFCSUIKPH-UHFFFAOYSA-N 0 3 295.471 3.083 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)C1(CC=C)CCCCC1 ZINC001275729446 808961590 /nfs/dbraw/zinc/96/15/90/808961590.db2.gz MOWLNBGWVQNGDA-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001276940023 809047123 /nfs/dbraw/zinc/04/71/23/809047123.db2.gz JEOZXNVHZFEFHU-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCCCCCCCN1CC2(C[C@@H]2C(=O)N(C)C)C1 ZINC001277170369 809061060 /nfs/dbraw/zinc/06/10/60/809061060.db2.gz MYJUKVUUIDMNKZ-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001277459596 809075959 /nfs/dbraw/zinc/07/59/59/809075959.db2.gz QSPRTXWWTSWEJK-WBVHZDCISA-N 0 3 296.430 3.015 20 30 CGEDHN CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2CCCC#N ZINC001277943292 809107342 /nfs/dbraw/zinc/10/73/42/809107342.db2.gz RESCQSKAJYITFL-ZACQAIPSSA-N 0 3 277.456 3.265 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCC(C)(C)C1)C(C)C ZINC001278917812 809155089 /nfs/dbraw/zinc/15/50/89/809155089.db2.gz JMZQMRMUQWYCRK-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](CC)CCCCC)CC1 ZINC001280776814 809198507 /nfs/dbraw/zinc/19/85/07/809198507.db2.gz LZKVLQTZFCLENP-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001281953459 809224579 /nfs/dbraw/zinc/22/45/79/809224579.db2.gz WBUYSDWGMUZDOR-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(Cl)cc1Cl)C(C)C ZINC001176373654 809682252 /nfs/dbraw/zinc/68/22/52/809682252.db2.gz WBNMNMLBESQNJN-AWEZNQCLSA-N 0 3 286.202 3.370 20 30 CGEDHN C#CC1(O)CCN(Cc2ccc(C3CC3)c(C3CC3)c2)CC1 ZINC001183053362 810134969 /nfs/dbraw/zinc/13/49/69/810134969.db2.gz LHVRCSPQMLVEIT-UHFFFAOYSA-N 0 3 295.426 3.402 20 30 CGEDHN C=CCCC(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001189280052 810553769 /nfs/dbraw/zinc/55/37/69/810553769.db2.gz PUYQBIFQBVDOBU-MZEUMTGBSA-N 0 3 298.430 3.199 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](CCCC)C(C)C)[C@@H]2C1 ZINC001190378137 810624926 /nfs/dbraw/zinc/62/49/26/810624926.db2.gz SUHPBCCSDKAIDU-GVDBMIGSSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001192471478 810801461 /nfs/dbraw/zinc/80/14/61/810801461.db2.gz DEPCFZKIUOSRFI-IAGOWNOFSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001193630411 810923141 /nfs/dbraw/zinc/92/31/41/810923141.db2.gz JFWMTKCDUHXLOC-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN C=CCCCC(=O)N1CCCN(CCCCCF)CC1 ZINC001197000158 811388934 /nfs/dbraw/zinc/38/89/34/811388934.db2.gz JYOBKUNBOQUDAW-UHFFFAOYSA-N 0 3 284.419 3.017 20 30 CGEDHN C#CCN(CCSC)[C@H]1CCCc2ccccc21 ZINC001198105804 811476898 /nfs/dbraw/zinc/47/68/98/811476898.db2.gz ZHOAXJDAKRMONA-INIZCTEOSA-N 0 3 259.418 3.362 20 30 CGEDHN C#C[C@@H]1CCCCN1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001198523985 811511942 /nfs/dbraw/zinc/51/19/42/811511942.db2.gz BHYFPHKDUWMVGO-SQNIBIBYSA-N 0 3 269.388 3.394 20 30 CGEDHN CC(C)CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001201482592 811858490 /nfs/dbraw/zinc/85/84/90/811858490.db2.gz LBTIZXVKLZGXEG-UHFFFAOYSA-N 0 3 260.356 3.339 20 30 CGEDHN C=CCOCc1ncn2c1CN(C[C@@H](C)CCC)CCC2 ZINC001201542756 811892845 /nfs/dbraw/zinc/89/28/45/811892845.db2.gz LVRYNCHDONUNPW-HNNXBMFYSA-N 0 3 291.439 3.228 20 30 CGEDHN CCCCCCCN1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201762402 811963556 /nfs/dbraw/zinc/96/35/56/811963556.db2.gz JMIMEKSOFILNIN-INIZCTEOSA-N 0 3 293.455 3.326 20 30 CGEDHN CCCCCCCCCN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001201840046 811969614 /nfs/dbraw/zinc/96/96/14/811969614.db2.gz SGBUTFMWVJQDQH-GVDBMIGSSA-N 0 3 283.456 3.209 20 30 CGEDHN N#CC1(c2ccccc2F)CCN(CC2CC2)CC1 ZINC001201952557 811981567 /nfs/dbraw/zinc/98/15/67/811981567.db2.gz UFRSHYNLSQTHON-UHFFFAOYSA-N 0 3 258.340 3.093 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(Cl)cc1 ZINC001202382783 812079909 /nfs/dbraw/zinc/07/99/09/812079909.db2.gz HEFXISMOGPEQIU-AWEZNQCLSA-N 0 3 293.798 3.112 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCC(C)C)C12CCC2 ZINC001202446084 812097095 /nfs/dbraw/zinc/09/70/95/812097095.db2.gz BAMWUHAIGVACGA-UONOGXRCSA-N 0 3 298.858 3.192 20 30 CGEDHN Cc1cc(CN2CCC(Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC001203076613 812233789 /nfs/dbraw/zinc/23/37/89/812233789.db2.gz GWTSJQGVMUOLKA-UHFFFAOYSA-N 0 3 294.402 3.045 20 30 CGEDHN C=CCOc1ccc(CN2CCN(CCCC)CC2)cc1 ZINC001204299833 812604687 /nfs/dbraw/zinc/60/46/87/812604687.db2.gz BQHRCWLCKPWCKL-UHFFFAOYSA-N 0 3 288.435 3.169 20 30 CGEDHN C=CCCN(Cc1cnn(C)c1C)Cc1ccccc1 ZINC001204572822 812680068 /nfs/dbraw/zinc/68/00/68/812680068.db2.gz VCFDKDLUSJKDRY-UHFFFAOYSA-N 0 3 269.392 3.307 20 30 CGEDHN CN(C)c1ccc(CN(C)Cc2ccc(F)c(C#N)c2)cc1 ZINC001205496915 812991657 /nfs/dbraw/zinc/99/16/57/812991657.db2.gz YUJGHEIUNCUTCM-UHFFFAOYSA-N 0 3 297.377 3.395 20 30 CGEDHN C#C[C@H](N[C@H]1CCC[C@@H](OCC)C1)c1ccc(F)cc1 ZINC001205980447 813150646 /nfs/dbraw/zinc/15/06/46/813150646.db2.gz LAXZAFAFJMBGRM-BBWFWOEESA-N 0 3 275.367 3.437 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(OCC)cc2)no1 ZINC001206094322 813198475 /nfs/dbraw/zinc/19/84/75/813198475.db2.gz HCRWHOVERPFBKO-UHFFFAOYSA-N 0 3 299.374 3.244 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001206094272 813198527 /nfs/dbraw/zinc/19/85/27/813198527.db2.gz DLHGPZRIDQOAHK-UHFFFAOYSA-N 0 3 294.358 3.026 20 30 CGEDHN C=CCN1CCN(C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207185939 813509993 /nfs/dbraw/zinc/50/99/93/813509993.db2.gz KWRXBVQAOUIPRS-RDJZCZTQSA-N 0 3 290.838 3.247 20 30 CGEDHN C=CCN1CCN(CCCc2cccc(Cl)c2)CC1 ZINC001207589856 813602356 /nfs/dbraw/zinc/60/23/56/813602356.db2.gz UZQYVVRVXWTPKN-UHFFFAOYSA-N 0 3 278.827 3.076 20 30 CGEDHN C[C@@H](CCCC(C)(C)O)CCN1CC[C@@](C)(C#N)C1 ZINC001207683205 813635438 /nfs/dbraw/zinc/63/54/38/813635438.db2.gz NLFWXMFKZMYRGR-HOCLYGCPSA-N 0 3 266.429 3.189 20 30 CGEDHN C[C@@H]1CCN(CCCc2cccc(C#N)c2)C[C@H]1F ZINC001208843905 813864211 /nfs/dbraw/zinc/86/42/11/813864211.db2.gz ATKKKDXKOUKCPJ-CZUORRHYSA-N 0 3 260.356 3.171 20 30 CGEDHN N#Cc1ccc(CCN2CCc3nc(Cl)ccc3C2)cc1 ZINC001208926602 813900990 /nfs/dbraw/zinc/90/09/90/813900990.db2.gz VWUNJQYBZUPPAM-UHFFFAOYSA-N 0 3 297.789 3.207 20 30 CGEDHN C=CCCCCCCCN1C[C@H](F)C[C@@H](CO)C1 ZINC001209438923 814038994 /nfs/dbraw/zinc/03/89/94/814038994.db2.gz YFKQIWWTEYDDCB-HUUCEWRRSA-N 0 3 257.393 3.165 20 30 CGEDHN C=CCCCCCCCCN1CCO[C@@]2(CCOC2)C1 ZINC001209443121 814042573 /nfs/dbraw/zinc/04/25/73/814042573.db2.gz MFTOEVSILORNHS-KRWDZBQOSA-N 0 3 281.440 3.394 20 30 CGEDHN C=CCCCCCCCCN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001209443530 814042648 /nfs/dbraw/zinc/04/26/48/814042648.db2.gz UWIDSXIMESPCEE-FGTMMUONSA-N 0 3 295.467 3.375 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001209784789 814139532 /nfs/dbraw/zinc/13/95/32/814139532.db2.gz XFZFROMPPLXBPS-BFYDXBDKSA-N 0 3 280.456 3.215 20 30 CGEDHN C[C@H]1CC(=O)C=C(c2cccc(OCCN(C)C)c2)C1 ZINC001242744827 823120057 /nfs/dbraw/zinc/12/00/57/823120057.db2.gz PAXGVNGHESFSKH-CYBMUJFWSA-N 0 3 273.376 3.009 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001211393434 814889152 /nfs/dbraw/zinc/88/91/52/814889152.db2.gz RMQFBXHZNPMRBF-NVXWUHKLSA-N 0 3 294.483 3.317 20 30 CGEDHN C=C1CC[NH2+]C[C@H]1Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001218206474 816127851 /nfs/dbraw/zinc/12/78/51/816127851.db2.gz KZNKALKDKUCPMJ-QGZVFWFLSA-N 0 3 289.375 3.015 20 30 CGEDHN CCCCCCC[C@@H](C)CNC(=O)N[C@H]1CCCN(C)C1 ZINC001221270656 816308428 /nfs/dbraw/zinc/30/84/28/816308428.db2.gz GWNXGPWVBZAUPM-CVEARBPZSA-N 0 3 297.487 3.376 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221760915 816326965 /nfs/dbraw/zinc/32/69/65/816326965.db2.gz UKRCEESAIGAGSK-GVDBMIGSSA-N 0 3 290.451 3.088 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224042117 816726547 /nfs/dbraw/zinc/72/65/47/816726547.db2.gz KCNYAKLPWVKDQC-HNNXBMFYSA-N 0 3 298.446 3.165 20 30 CGEDHN CC(C)N1CCC[C@H](Oc2ccc(C#N)c(F)c2F)C1 ZINC001226017436 817250143 /nfs/dbraw/zinc/25/01/43/817250143.db2.gz KFXDCHCPXLVQDW-LBPRGKRZSA-N 0 3 280.318 3.088 20 30 CGEDHN CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(/C=N/[O-])c1)C2 ZINC001226114612 817277174 /nfs/dbraw/zinc/27/71/74/817277174.db2.gz NFDHQADEGBGYKC-OZVQWIRISA-N 0 3 288.391 3.277 20 30 CGEDHN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(/C=N/[O-])c1)C2 ZINC001226114612 817277180 /nfs/dbraw/zinc/27/71/80/817277180.db2.gz NFDHQADEGBGYKC-OZVQWIRISA-N 0 3 288.391 3.277 20 30 CGEDHN CCN1CCC[C@H](Oc2cc(Cl)ccc2C#N)C1 ZINC001228084111 817805074 /nfs/dbraw/zinc/80/50/74/817805074.db2.gz IHQZFEOXPWQZND-ZDUSSCGKSA-N 0 3 264.756 3.075 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001231376984 818087435 /nfs/dbraw/zinc/08/74/35/818087435.db2.gz HLJRAJMMRPXWMS-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN CN(Cc1c[nH]c2cnccc12)Cc1cccc(C#N)c1 ZINC001231520389 818119535 /nfs/dbraw/zinc/11/95/35/818119535.db2.gz VWYGTJGFBWRWRD-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C#Cc1cccc(C[N@@H+](CC)Cc2ccccc2[O-])c1 ZINC001231660349 818151816 /nfs/dbraw/zinc/15/18/16/818151816.db2.gz CVXOWZIKXKPJHH-UHFFFAOYSA-N 0 3 265.356 3.396 20 30 CGEDHN C#Cc1cccc(C[N@H+](CC)Cc2ccccc2[O-])c1 ZINC001231660349 818151821 /nfs/dbraw/zinc/15/18/21/818151821.db2.gz CVXOWZIKXKPJHH-UHFFFAOYSA-N 0 3 265.356 3.396 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC001231664543 818153435 /nfs/dbraw/zinc/15/34/35/818153435.db2.gz RPRCBIXWPFJJKA-LJQANCHMSA-N 0 3 295.357 3.460 20 30 CGEDHN COc1cc(N(C)C)ccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231855045 818188441 /nfs/dbraw/zinc/18/84/41/818188441.db2.gz PWQSSBZAIOJUPS-FFGGFLGDSA-N 0 3 299.418 3.028 20 30 CGEDHN CCN(Cc1ccc(Cl)cc1C#N)C1CCOCC1 ZINC001232606844 818394962 /nfs/dbraw/zinc/39/49/62/818394962.db2.gz CKHKGVBPPBTUOT-UHFFFAOYSA-N 0 3 278.783 3.213 20 30 CGEDHN COCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC001233280852 818563871 /nfs/dbraw/zinc/56/38/71/818563871.db2.gz FMPAQGOPMHUUGZ-UHFFFAOYSA-N 0 3 296.370 3.173 20 30 CGEDHN CC(C)N1CCC[C@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233525871 818634139 /nfs/dbraw/zinc/63/41/39/818634139.db2.gz YGUXFBYPQWQNBB-AWEZNQCLSA-N 0 3 286.375 3.035 20 30 CGEDHN CCC#C[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657078 818907177 /nfs/dbraw/zinc/90/71/77/818907177.db2.gz ASNYIXDUZFFONU-MRXNPFEDSA-N 0 3 286.419 3.009 20 30 CGEDHN C#CC[C@@H](CC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234661235 818909120 /nfs/dbraw/zinc/90/91/20/818909120.db2.gz SHSACPPBUURTAV-QGZVFWFLSA-N 0 3 286.419 3.009 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccccc1CC#N ZINC001235517032 819114152 /nfs/dbraw/zinc/11/41/52/819114152.db2.gz IRGBCPNESDXRHA-UHFFFAOYSA-N 0 3 275.355 3.256 20 30 CGEDHN COc1cccc(CCCN(C)Cc2ccnc(C#N)c2)c1 ZINC001237465738 819756956 /nfs/dbraw/zinc/75/69/56/819756956.db2.gz KNIKDNUFGJDULA-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN Cn1cc(CN2CCC[C@@H](C#N)CC2)c2cc(C#N)ccc21 ZINC001237471690 819759667 /nfs/dbraw/zinc/75/96/67/819759667.db2.gz XTRVEAWPDZSMMJ-CQSZACIVSA-N 0 3 292.386 3.176 20 30 CGEDHN N#Cc1ccc2nc(CN3CCC4(C3)CCCCC4)cn2c1 ZINC001237611134 819786357 /nfs/dbraw/zinc/78/63/57/819786357.db2.gz NFAOMIZIYVSXNX-UHFFFAOYSA-N 0 3 294.402 3.362 20 30 CGEDHN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1Cl ZINC001238084870 819928423 /nfs/dbraw/zinc/92/84/23/819928423.db2.gz QNOSPHUJFHYVIO-YIONKMFJSA-N 0 3 290.794 3.353 20 30 CGEDHN CN1CC=C(c2ccc(C#C[Si](C)(C)C)nc2)CC1 ZINC001241332529 821739368 /nfs/dbraw/zinc/73/93/68/821739368.db2.gz KKTRPBVJVIBSAQ-UHFFFAOYSA-N 0 3 270.452 3.029 20 30 CGEDHN CN(C)Cc1ccnc(-c2cc(Cl)cc(C#N)c2)c1 ZINC001242569471 823038072 /nfs/dbraw/zinc/03/80/72/823038072.db2.gz YMBMROCFHZRXOU-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN C[C@@H](NC(=O)[C@@H](N)C1CCCCCC1)c1cccc(C#N)c1 ZINC001341610911 936444307 /nfs/dbraw/zinc/44/43/07/936444307.db2.gz YLXJCIJDHJRNMF-DYVFJYSZSA-N 0 3 299.418 3.033 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@@H](C)F)CCC1 ZINC001479244577 936464129 /nfs/dbraw/zinc/46/41/29/936464129.db2.gz KRSCTGQAQSTEKF-HUUCEWRRSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCCCCCN(C)C(=O)c1cc2c(s1)CNCC2 ZINC001343278565 936492979 /nfs/dbraw/zinc/49/29/79/936492979.db2.gz OSECPZNSDSFONI-UHFFFAOYSA-N 0 3 292.448 3.212 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001344865084 936547316 /nfs/dbraw/zinc/54/73/16/936547316.db2.gz YUPJBKAULLZYOW-ZBFHGGJFSA-N 0 3 295.386 3.267 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001479824846 936798026 /nfs/dbraw/zinc/79/80/26/936798026.db2.gz ZFKVXAGZTAFACE-UKRRQHHQSA-N 0 3 296.842 3.064 20 30 CGEDHN CC(NNc1ccc(C(C)(C)C)nn1)=C1CC1(F)F ZINC001345128745 936803177 /nfs/dbraw/zinc/80/31/77/936803177.db2.gz CZKZPZGMBYYYDC-SECBINFHSA-N 0 3 268.311 3.217 20 30 CGEDHN Cc1cc(C)c(C(=O)C(C#N)c2ncc(Cl)n2C)s1 ZINC001345643745 936819707 /nfs/dbraw/zinc/81/97/07/936819707.db2.gz UXFPHORDPPYZLK-SECBINFHSA-N 0 3 293.779 3.242 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001346994123 936867066 /nfs/dbraw/zinc/86/70/66/936867066.db2.gz XCQHAQAHDGBICB-YOEHRIQHSA-N 0 3 274.408 3.150 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001347338819 936879981 /nfs/dbraw/zinc/87/99/81/936879981.db2.gz VQJNFGQIUAMSDY-QWHCGFSZSA-N 0 3 271.364 3.050 20 30 CGEDHN CCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC1 ZINC001347992002 936905925 /nfs/dbraw/zinc/90/59/25/936905925.db2.gz ABFMVWRTVBEVBM-JTQLQIEISA-N 0 3 264.275 3.116 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001349383923 936947942 /nfs/dbraw/zinc/94/79/42/936947942.db2.gz OIBOBEVBNJEVGN-AWEZNQCLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H](NC/C=C\Cl)C2)CCCC1 ZINC001480123562 937038106 /nfs/dbraw/zinc/03/81/06/937038106.db2.gz LWOCPRWMCLUOHL-MFNCVGGLSA-N 0 3 296.842 3.066 20 30 CGEDHN C[C@@]1(C(=O)C(C#N)c2ncc(F)cc2F)CC=CCC1 ZINC001344983880 926682220 /nfs/dbraw/zinc/68/22/20/926682220.db2.gz NIOCPUWYFQDIOQ-XHDPSFHLSA-N 0 3 276.286 3.282 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)C(C)(C)F)C1 ZINC001481522810 927013295 /nfs/dbraw/zinc/01/32/95/927013295.db2.gz OZEIEQKCHACJHA-CQSZACIVSA-N 0 3 286.435 3.286 20 30 CGEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001481668306 927050335 /nfs/dbraw/zinc/05/03/35/927050335.db2.gz HHWVTJZQIJSVIV-IRXDYDNUSA-N 0 3 290.451 3.045 20 30 CGEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1csc(C)c1 ZINC001483044841 927395856 /nfs/dbraw/zinc/39/58/56/927395856.db2.gz SGUBDMXQYLLZCS-SREVYHEPSA-N 0 3 292.448 3.031 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccccc1C(C)C ZINC001483345407 927485707 /nfs/dbraw/zinc/48/57/07/927485707.db2.gz LVCMEVCGWYZCLJ-AWEZNQCLSA-N 0 3 274.408 3.046 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccccc1C(C)C ZINC001483345408 927486053 /nfs/dbraw/zinc/48/60/53/927486053.db2.gz LVCMEVCGWYZCLJ-CQSZACIVSA-N 0 3 274.408 3.046 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1 ZINC001483678869 927569276 /nfs/dbraw/zinc/56/92/76/927569276.db2.gz VCFZSCCCUURLAE-MAUKXSAKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H]1CCCCC1(C)C ZINC001483709427 927581805 /nfs/dbraw/zinc/58/18/05/927581805.db2.gz XRIBUSOZTXVSBG-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001485582864 927887941 /nfs/dbraw/zinc/88/79/41/927887941.db2.gz VDVLMEYIOUQXTM-OAHLLOKOSA-N 0 3 294.483 3.461 20 30 CGEDHN C#CCCN1C[C@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001485579265 927889119 /nfs/dbraw/zinc/88/91/19/927889119.db2.gz JOVCYMBPGLLQGL-INIZCTEOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncccc1F ZINC001474575730 937206631 /nfs/dbraw/zinc/20/66/31/937206631.db2.gz CSMRVYDNDZMRNX-HNNXBMFYSA-N 0 3 270.351 3.498 20 30 CGEDHN C=CCCCCCN1CCOc2ccccc2[C@@H]1CO ZINC001473825438 937202316 /nfs/dbraw/zinc/20/23/16/937202316.db2.gz RLRZGBXXTMLDDQ-INIZCTEOSA-N 0 3 275.392 3.161 20 30 CGEDHN CN(C)[C@H](C/N=C/c1ccccc1O)c1ccccc1 ZINC000005288946 928124476 /nfs/dbraw/zinc/12/44/76/928124476.db2.gz VOJYJCWUEVNDCW-YAJBTMAUSA-N 0 3 268.360 3.114 20 30 CGEDHN C[C@@H](CCCC#N)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001172485885 928222113 /nfs/dbraw/zinc/22/21/13/928222113.db2.gz VFCAFNZEFJOWGP-GXFFZTMASA-N 0 3 280.318 3.460 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001490563506 928372949 /nfs/dbraw/zinc/37/29/49/928372949.db2.gz NZHKEMJRJMURPR-IRXDYDNUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](F)CC)C1 ZINC001491117481 928834171 /nfs/dbraw/zinc/83/41/71/928834171.db2.gz IDQNVUIMNHNPNP-CABCVRRESA-N 0 3 298.446 3.165 20 30 CGEDHN CCCCCCC[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001441959117 937340077 /nfs/dbraw/zinc/34/00/77/937340077.db2.gz OPOOBTYKBXIZCQ-HOTGVXAUSA-N 0 3 282.472 3.441 20 30 CGEDHN C=C(CC(C)C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001442474089 937343059 /nfs/dbraw/zinc/34/30/59/937343059.db2.gz OYDCVKYWZURUGB-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115412 931955685 /nfs/dbraw/zinc/95/56/85/931955685.db2.gz ZVLAPWNMZLWMGP-UHFFFAOYSA-N 0 3 251.333 3.214 20 30 CGEDHN Cc1nc(O[C@H]2CCN(C(C)C)C2)c(C#N)c(C)c1Cl ZINC001227828157 932043039 /nfs/dbraw/zinc/04/30/39/932043039.db2.gz NDSLXOBXBWOGDO-LBPRGKRZSA-N 0 3 293.798 3.085 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCC1(C)CC1 ZINC001229479202 932158551 /nfs/dbraw/zinc/15/85/51/932158551.db2.gz NQGZDCBOLAKNQA-ZIAGYGMSSA-N 0 3 298.858 3.336 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001229583478 932175871 /nfs/dbraw/zinc/17/58/71/932175871.db2.gz LQMNZEPDRWUKFU-ZIAGYGMSSA-N 0 3 280.456 3.071 20 30 CGEDHN Cc1ccc2[nH]cc(CCNCc3nc(C#N)cs3)c2c1 ZINC001461815541 937599508 /nfs/dbraw/zinc/59/95/08/937599508.db2.gz HXGCDABNNGEHEV-UHFFFAOYSA-N 0 3 296.399 3.137 20 30 CGEDHN C/C(=N\[O-])c1ccccc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001229736911 932475871 /nfs/dbraw/zinc/47/58/71/932475871.db2.gz LDZTWMCMYRXWNS-KWSUBPIYSA-N 0 3 276.380 3.136 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001230759286 932620709 /nfs/dbraw/zinc/62/07/09/932620709.db2.gz QNZJWHZMJANKNH-GFCCVEGCSA-N 0 3 296.798 3.046 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)CC ZINC001230809526 932626444 /nfs/dbraw/zinc/62/64/44/932626444.db2.gz GESMLSCYNXNVMK-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN CC(C)c1c(C#N)cccc1O[C@@H]1CCCN(C)C1 ZINC001234853575 932687638 /nfs/dbraw/zinc/68/76/38/932687638.db2.gz GDQPPFPWDSHOGN-CQSZACIVSA-N 0 3 258.365 3.155 20 30 CGEDHN C=CC[C@@H](C)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001307468563 932955887 /nfs/dbraw/zinc/95/58/87/932955887.db2.gz AUWBJIBHJFLHDN-IUODEOHRSA-N 0 3 292.810 3.342 20 30 CGEDHN C=CCCCCN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001307472164 932958470 /nfs/dbraw/zinc/95/84/70/932958470.db2.gz XXCVHSPNEBXVCD-QGZVFWFLSA-N 0 3 286.419 3.470 20 30 CGEDHN C=CCN(Cc1c(C)cc(C#N)cc1C)[C@@H](C)COC ZINC001307923242 933019758 /nfs/dbraw/zinc/01/97/58/933019758.db2.gz GDLLVCUEOLAFNJ-HNNXBMFYSA-N 0 3 272.392 3.198 20 30 CGEDHN C#CC[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC001308067443 933043048 /nfs/dbraw/zinc/04/30/48/933043048.db2.gz HJMMORHVGMLIJA-HNNXBMFYSA-N 0 3 257.764 3.037 20 30 CGEDHN C#CCN(Cc1cccc2c1OCO2)C1CCCCC1 ZINC001308589398 933137925 /nfs/dbraw/zinc/13/79/25/933137925.db2.gz DMXKTIJQQKPNRX-UHFFFAOYSA-N 0 3 271.360 3.183 20 30 CGEDHN C#C[C@H](NCc1ccc2c(c1)OCCCCO2)C(C)(C)C ZINC001308795465 933178686 /nfs/dbraw/zinc/17/86/86/933178686.db2.gz RXFGISXORRYNSW-KRWDZBQOSA-N 0 3 287.403 3.376 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)CCCCCC)[C@H]1C ZINC001316794963 933483665 /nfs/dbraw/zinc/48/36/65/933483665.db2.gz BBKGDXTXBHEXHP-BBWFWOEESA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1occc1Cl ZINC001316804131 933483769 /nfs/dbraw/zinc/48/37/69/933483769.db2.gz BXEMZUDGOBZRJP-LBPRGKRZSA-N 0 3 296.798 3.046 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)/C(C)=C\CC)CC1 ZINC001317006671 933512240 /nfs/dbraw/zinc/51/22/40/933512240.db2.gz FEDVVXIYKZUWMB-NVNXTCNLSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)/C(C)=C/CC)CC1 ZINC001317006674 933512383 /nfs/dbraw/zinc/51/23/83/933512383.db2.gz FEDVVXIYKZUWMB-OVCLIPMQSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCCC(C)C ZINC001317177652 933546670 /nfs/dbraw/zinc/54/66/70/933546670.db2.gz XBCFLTVIXQTSST-INIZCTEOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001317508329 933606603 /nfs/dbraw/zinc/60/66/03/933606603.db2.gz KFSAZJYZGKMIOC-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001317511234 933608133 /nfs/dbraw/zinc/60/81/33/933608133.db2.gz XBWKZKTVAOCQOH-KGLIPLIRSA-N 0 3 292.448 3.008 20 30 CGEDHN C#CCC1(NCc2cc(C)c(C(=O)OC)o2)CCCCC1 ZINC001474721351 933713557 /nfs/dbraw/zinc/71/35/57/933713557.db2.gz YDCUKRHXGHFQBF-UHFFFAOYSA-N 0 3 289.375 3.190 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H](C)CCC)C1 ZINC001318458056 933729227 /nfs/dbraw/zinc/72/92/27/933729227.db2.gz MVRUSUYAXCVKCD-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)CCC)C1CC1 ZINC001318685138 933763554 /nfs/dbraw/zinc/76/35/54/933763554.db2.gz CLGMFLKSQHPNPF-ABAIWWIYSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001467728761 937721458 /nfs/dbraw/zinc/72/14/58/937721458.db2.gz OVEVMTIXQGTDPT-SJORKVTESA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001467727949 937721464 /nfs/dbraw/zinc/72/14/64/937721464.db2.gz XNONNVDYUGLUGI-JKSUJKDBSA-N 0 3 292.467 3.191 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cc3cc(OC)ccc3o2)C1 ZINC001320968012 934129060 /nfs/dbraw/zinc/12/90/60/934129060.db2.gz WSWSWGJTULOYOX-HNNXBMFYSA-N 0 3 287.359 3.218 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001469927729 937745392 /nfs/dbraw/zinc/74/53/92/937745392.db2.gz UDZUTPKSWPUURV-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(C(C)(C)C)s1 ZINC001322299424 934273468 /nfs/dbraw/zinc/27/34/68/934273468.db2.gz UGLVLAODZJEXMQ-LBPRGKRZSA-N 0 3 294.464 3.282 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCN2CCC(=C)C)CCCC1 ZINC001323369869 934390920 /nfs/dbraw/zinc/39/09/20/934390920.db2.gz DLQHQHCHGBACHN-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN Cc1cnc2ccccc2c1N1CCC(C#N)CC1 ZINC001323873221 934435259 /nfs/dbraw/zinc/43/52/59/934435259.db2.gz TXEGLFINCNCHCD-UHFFFAOYSA-N 0 3 251.333 3.283 20 30 CGEDHN N#CCOc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC001324541321 934521147 /nfs/dbraw/zinc/52/11/47/934521147.db2.gz JIFBOTIFEDGRRE-INIZCTEOSA-N 0 3 294.354 3.072 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001324655497 934541350 /nfs/dbraw/zinc/54/13/50/934541350.db2.gz FJMKCFKBKHTRFR-WBVHZDCISA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2=CCCCCC2)C1 ZINC001324929047 934873549 /nfs/dbraw/zinc/87/35/49/934873549.db2.gz TWMPMAXLRYRUHC-SFHVURJKSA-N 0 3 290.451 3.281 20 30 CGEDHN C#CCN(CCCCc1ccccc1)C1CSC1 ZINC001473629573 937814818 /nfs/dbraw/zinc/81/48/18/937814818.db2.gz GEQFWAUBQNGXNU-UHFFFAOYSA-N 0 3 259.418 3.060 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)C=C3CCC3)cc2C1 ZINC001327684646 935077337 /nfs/dbraw/zinc/07/73/37/935077337.db2.gz DVWAOFBTIAYQKI-UHFFFAOYSA-N 0 3 296.414 3.305 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC(C)C)C[C@H]2C1 ZINC001330447233 935289059 /nfs/dbraw/zinc/28/90/59/935289059.db2.gz SADSNXNEQASNOQ-KKUMJFAQSA-N 0 3 298.858 3.002 20 30 CGEDHN C[C@@H](N[C@@H](C)COc1ccccc1F)c1cc(C#N)ccn1 ZINC001333150885 935514154 /nfs/dbraw/zinc/51/41/54/935514154.db2.gz UBQQGMRNVGHDCE-QWHCGFSZSA-N 0 3 299.349 3.210 20 30 CGEDHN C=CCO[C@H]1CCN(c2ccnc3ccc(OC)cc32)C1 ZINC001334982126 936124713 /nfs/dbraw/zinc/12/47/13/936124713.db2.gz LSFBPMYXFKOFIT-AWEZNQCLSA-N 0 3 284.359 3.025 20 30 CGEDHN CNc1ccc(C)cc1CNCc1cccc(OCC#N)c1 ZINC001335251209 936135588 /nfs/dbraw/zinc/13/55/88/936135588.db2.gz BFVVVDJAMPAEAP-UHFFFAOYSA-N 0 3 295.386 3.229 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@@H](C3CCCC3)C2)c1 ZINC001473886608 937827891 /nfs/dbraw/zinc/82/78/91/937827891.db2.gz FKSZOOXEVYFIGG-MRXNPFEDSA-N 0 3 269.392 3.355 20 30 CGEDHN C#Cc1cccc(CNCc2cccn2C(F)F)c1 ZINC001474580274 937868430 /nfs/dbraw/zinc/86/84/30/937868430.db2.gz VFHBWSBMEWJIDT-UHFFFAOYSA-N 0 3 260.287 3.154 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001493321677 937949635 /nfs/dbraw/zinc/94/96/35/937949635.db2.gz IYVRITPLDBFONU-HZPDHXFCSA-N 0 3 294.483 3.156 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)c1 ZINC001494683295 937955494 /nfs/dbraw/zinc/95/54/94/937955494.db2.gz MMUIQHOCTVSJLF-ROUUACIJSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001494818202 937956451 /nfs/dbraw/zinc/95/64/51/937956451.db2.gz COHRHWNQDPKKOJ-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C(C)(C)CC=C ZINC001499072275 937972510 /nfs/dbraw/zinc/97/25/10/937972510.db2.gz NIWJMLMUVFGVTD-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001499107714 937972519 /nfs/dbraw/zinc/97/25/19/937972519.db2.gz USCNVQTWEVNOTF-KRWDZBQOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCN2CC2CC2)CCCCC1 ZINC001499128358 937972743 /nfs/dbraw/zinc/97/27/43/937972743.db2.gz WQEMHAFNUVQIQN-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2CCC=CCC2)C1 ZINC001500552819 937977980 /nfs/dbraw/zinc/97/79/80/937977980.db2.gz MLGHXQYSRCDHMT-GOSISDBHSA-N 0 3 290.451 3.137 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC(C)(C)C)cc1 ZINC001501673621 937980227 /nfs/dbraw/zinc/98/02/27/937980227.db2.gz RMUQZBSTPRZRIE-AWEZNQCLSA-N 0 3 286.419 3.023 20 30 CGEDHN Cc1ccc(F)cc1C(=O)C(C#N)c1cccc(F)n1 ZINC001524706264 938044917 /nfs/dbraw/zinc/04/49/17/938044917.db2.gz YTQPAHLESOGNHF-LBPRGKRZSA-N 0 3 272.254 3.158 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1CCCC[C@@H]1C ZINC001526593816 938056540 /nfs/dbraw/zinc/05/65/40/938056540.db2.gz JFTIYAOIFPMLBR-BFHYXJOUSA-N 0 3 273.380 3.296 20 30 CGEDHN C=CC[C@H](C)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001559765348 938234840 /nfs/dbraw/zinc/23/48/40/938234840.db2.gz YRBOZENDCWBRNQ-SOUVJXGZSA-N 0 3 294.439 3.425 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)cc1C#N ZINC001559797028 938236243 /nfs/dbraw/zinc/23/62/43/938236243.db2.gz DOQNRXSDYFQICY-UHFFFAOYSA-N 0 3 291.826 3.151 20 30 CGEDHN C#CCN(CCCOc1c(C)cccc1C)C1CC1 ZINC001559844700 938236972 /nfs/dbraw/zinc/23/69/72/938236972.db2.gz UGJIKHXPDXLGKF-UHFFFAOYSA-N 0 3 257.377 3.170 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2cc(C#N)ccn2)C1(C)C ZINC001559901998 938238517 /nfs/dbraw/zinc/23/85/17/938238517.db2.gz LJDRLNKMRZYWOG-LSDHHAIUSA-N 0 3 287.407 3.025 20 30 CGEDHN C=CC(C)(C)NCc1ccc(OC(F)F)cc1F ZINC001560614704 938265278 /nfs/dbraw/zinc/26/52/78/938265278.db2.gz UOESVIJXYBUQKK-UHFFFAOYSA-N 0 3 259.271 3.481 20 30 CGEDHN C#CCN(CC)Cc1ccc(C(F)(F)F)c(C)c1 ZINC001560699229 938270783 /nfs/dbraw/zinc/27/07/83/938270783.db2.gz MYLSERGMZHBEPF-UHFFFAOYSA-N 0 3 255.283 3.469 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001483679765 957820920 /nfs/dbraw/zinc/82/09/20/957820920.db2.gz NYEMEKJQESOUQL-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 ZINC001574851874 960469660 /nfs/dbraw/zinc/46/96/60/960469660.db2.gz LWQOUETZBKRRBA-MJBXVCDLSA-N 0 3 286.847 3.177 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CCC)CCCC1 ZINC001565834936 960834743 /nfs/dbraw/zinc/83/47/43/960834743.db2.gz DVAGKJWODMPEHS-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001566845791 961028848 /nfs/dbraw/zinc/02/88/48/961028848.db2.gz SSWAJVZZUFEAAM-OKILXGFUSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1CC=C(C)C ZINC001567376614 961312110 /nfs/dbraw/zinc/31/21/10/961312110.db2.gz KXFPZBOJBMPXRG-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)CC=C)c1ccccc1 ZINC001567662883 961385383 /nfs/dbraw/zinc/38/53/83/961385383.db2.gz DEVAEMNYDFCDDY-KRWDZBQOSA-N 0 3 298.430 3.059 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(C)CCC(C)CC1 ZINC001568506425 961609116 /nfs/dbraw/zinc/60/91/16/961609116.db2.gz JCKKBEWYZOYBLO-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H](C)CCNCC(=C)Cl)cc1 ZINC001568680629 961632091 /nfs/dbraw/zinc/63/20/91/961632091.db2.gz AYVAWOBPWLTJRR-ZDUSSCGKSA-N 0 3 292.810 3.180 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001570022482 961884475 /nfs/dbraw/zinc/88/44/75/961884475.db2.gz VKZCWKNXSAVUOG-GXTWGEPZSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccccc1C(C)C ZINC001570714830 962061968 /nfs/dbraw/zinc/06/19/68/962061968.db2.gz XNQPZBUQEHTPLA-CQSZACIVSA-N 0 3 274.408 3.046 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(CC)CC)C(C)(C)C1 ZINC001570908361 962111748 /nfs/dbraw/zinc/11/17/48/962111748.db2.gz ZOXGKYOOAJGVTK-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)CC(C)C)[C@H]1C ZINC001571525672 962180443 /nfs/dbraw/zinc/18/04/43/962180443.db2.gz VQIYWUMNRFBYKK-CVEARBPZSA-N 0 3 292.467 3.051 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001574902884 962327793 /nfs/dbraw/zinc/32/77/93/962327793.db2.gz IKGHHENGQXRUDD-QXSJWSMHSA-N 0 3 278.440 3.145 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCC1(C)CCC(C)(C)CC1 ZINC001574903689 962329245 /nfs/dbraw/zinc/32/92/45/962329245.db2.gz UYMIIRHOVOJHGD-AWEZNQCLSA-N 0 3 280.456 3.393 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC001574901305 962330531 /nfs/dbraw/zinc/33/05/31/962330531.db2.gz GTCHOEQLAKQHKN-PBHICJAKSA-N 0 3 286.419 3.422 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC001574903472 962336949 /nfs/dbraw/zinc/33/69/49/962336949.db2.gz RLGPMURZEUITNY-KKUMJFAQSA-N 0 3 280.456 3.391 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NC1(C)CC(F)(F)C1 ZINC001577430174 962543977 /nfs/dbraw/zinc/54/39/77/962543977.db2.gz SHWHZDIRDUJBOD-LBPRGKRZSA-N 0 3 290.398 3.368 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588560878 963288340 /nfs/dbraw/zinc/28/83/40/963288340.db2.gz UZKFCXGRGHNKKO-ZBFHGGJFSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588560878 963288345 /nfs/dbraw/zinc/28/83/45/963288345.db2.gz UZKFCXGRGHNKKO-ZBFHGGJFSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nncn2-c2ccccc2)C1 ZINC000651676261 398267669 /nfs/dbraw/zinc/26/76/69/398267669.db2.gz UOPQPYVZIOZXMN-GJZGRUSLSA-N 0 3 282.391 3.102 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nccn2C(F)F)C1 ZINC000651689924 398269614 /nfs/dbraw/zinc/26/96/14/398269614.db2.gz JEDKONBRYREUQZ-WDEREUQCSA-N 0 3 255.312 3.113 20 30 CGEDHN C[C@@H]1CSC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000590653598 346859355 /nfs/dbraw/zinc/85/93/55/346859355.db2.gz ZZDUKPSGSJNKHA-NOZJJQNGSA-N 0 3 266.797 3.053 20 30 CGEDHN C=CCCOCCNCc1cn(-c2cccc(C)c2)nc1C ZINC000651745673 398280857 /nfs/dbraw/zinc/28/08/57/398280857.db2.gz SSHNINKLRYYBAL-UHFFFAOYSA-N 0 3 299.418 3.171 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nc3cc(OC)ccc3n2C)C1 ZINC000651764815 398285118 /nfs/dbraw/zinc/28/51/18/398285118.db2.gz POHISGXMKZXBGF-ZIAGYGMSSA-N 0 3 299.418 3.416 20 30 CGEDHN C=CCC[C@H](CO)N[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651824262 398294181 /nfs/dbraw/zinc/29/41/81/398294181.db2.gz LMIMEXPJEGCGSF-YPMHNXCESA-N 0 3 283.774 3.383 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000652062726 398322266 /nfs/dbraw/zinc/32/22/66/398322266.db2.gz UPTKJPBPYDBRPR-HNNXBMFYSA-N 0 3 279.330 3.483 20 30 CGEDHN CC[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000449238612 529430509 /nfs/dbraw/zinc/43/05/09/529430509.db2.gz GZFAPZDEHCKFSX-FPMFFAJLSA-N 0 3 276.355 3.306 20 30 CGEDHN CO[C@H](CN[C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000591845570 346941908 /nfs/dbraw/zinc/94/19/08/346941908.db2.gz MSPKCHHWLHVUKS-JKSUJKDBSA-N 0 3 258.365 3.046 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3F)C2)o1 ZINC000136122704 136392510 /nfs/dbraw/zinc/39/25/10/136392510.db2.gz VSHPBZCIWMTZMW-ZDUSSCGKSA-N 0 3 299.349 3.049 20 30 CGEDHN N#Cc1ccc(CN2CCCN(CC3=CCCC3)CC2)cc1 ZINC000592055226 346958256 /nfs/dbraw/zinc/95/82/56/346958256.db2.gz KULVZZLPIHWMPD-UHFFFAOYSA-N 0 3 295.430 3.176 20 30 CGEDHN C[C@H](c1ccc2ccccc2c1)N1CC[C@@](O)(CC#N)C1 ZINC000592150906 346967046 /nfs/dbraw/zinc/96/70/46/346967046.db2.gz JIUDGVDPEVSEOT-KDOFPFPSSA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@@H](c1cccc2ccccc21)N1CC[C@](O)(CC#N)C1 ZINC000592151427 346967591 /nfs/dbraw/zinc/96/75/91/346967591.db2.gz OUPXTSQYBPPZNX-KBXCAEBGSA-N 0 3 280.371 3.251 20 30 CGEDHN CC(C)[C@@H](NCc1ccccc1C#N)C1(CO)CC=CC1 ZINC000592177167 346969386 /nfs/dbraw/zinc/96/93/86/346969386.db2.gz MCKVQXDISZNUMS-QGZVFWFLSA-N 0 3 284.403 3.001 20 30 CGEDHN N#C[C@H]1CC[C@@H](NC2(c3cccc(F)c3)CCC2)C1 ZINC000592393145 346982202 /nfs/dbraw/zinc/98/22/02/346982202.db2.gz FRFLZOMDMQGVHW-SWLSCSKDSA-N 0 3 258.340 3.487 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(CO)cc1 ZINC000592393204 346982322 /nfs/dbraw/zinc/98/23/22/346982322.db2.gz UUCTYGXBLNBPLO-LJQANCHMSA-N 0 3 292.382 3.218 20 30 CGEDHN CC[C@H](C)C[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000592398197 346984064 /nfs/dbraw/zinc/98/40/64/346984064.db2.gz RGKNYTJQTDVAFK-SCRDCRAPSA-N 0 3 278.371 3.145 20 30 CGEDHN CCn1cc(CN(CCCC(C)(C)C#N)C(C)C)cn1 ZINC000593080415 347036521 /nfs/dbraw/zinc/03/65/21/347036521.db2.gz NMPYGVJFFDWHFY-UHFFFAOYSA-N 0 3 276.428 3.443 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C)c(F)c2)nc(C)n1 ZINC000041562186 344971828 /nfs/dbraw/zinc/97/18/28/344971828.db2.gz DWNQCYHYDZBHRP-ZDUSSCGKSA-N 0 3 283.306 3.031 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)n1C ZINC000041501619 344972079 /nfs/dbraw/zinc/97/20/79/344972079.db2.gz SDGMSOCRLGTVLN-NSHDSACASA-N 0 3 295.367 3.433 20 30 CGEDHN C=CCC[C@@H](O)CN(Cc1cccs1)C1CC1 ZINC000036103455 344943465 /nfs/dbraw/zinc/94/34/65/344943465.db2.gz RCFJSSJSJINXHC-CYBMUJFWSA-N 0 3 251.395 3.040 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1c1ccccc1 ZINC000054993323 345142239 /nfs/dbraw/zinc/14/22/39/345142239.db2.gz NOPWOEKXUMBMCY-KRWDZBQOSA-N 0 3 284.403 3.024 20 30 CGEDHN C=CCN(CCC(=O)OC(C)(C)C)CCc1ccccc1 ZINC000062364206 345237923 /nfs/dbraw/zinc/23/79/23/345237923.db2.gz WDHINZCRFVVUBE-UHFFFAOYSA-N 0 3 289.419 3.449 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000068754080 345361481 /nfs/dbraw/zinc/36/14/81/345361481.db2.gz DXHKWOPUWZSARZ-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN CCOc1ccc(CN(C)CCCSCC#N)cc1 ZINC000074981191 345489155 /nfs/dbraw/zinc/48/91/55/345489155.db2.gz KLEUTJBWAZRTHX-UHFFFAOYSA-N 0 3 278.421 3.164 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CCOCC1 ZINC000076152450 345535627 /nfs/dbraw/zinc/53/56/27/345535627.db2.gz IHLJPXFWYZEMEZ-QZTJIDSGSA-N 0 3 284.403 3.185 20 30 CGEDHN C=CCOc1ccccc1CN(CC)C[C@H]1CCCO1 ZINC000092407356 345838004 /nfs/dbraw/zinc/83/80/04/345838004.db2.gz OECAYOGZFORICP-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN N#Cc1ccncc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000094159538 345897337 /nfs/dbraw/zinc/89/73/37/345897337.db2.gz DIGFOMGIXXKVMZ-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN CC1(C)CCN1Cc1cccc(OCCCC#N)c1 ZINC000093460293 345880149 /nfs/dbraw/zinc/88/01/49/345880149.db2.gz JQTLYEWWSMHDRS-UHFFFAOYSA-N 0 3 258.365 3.353 20 30 CGEDHN COc1ccc(OC(F)F)c(CNCCCCC#N)c1 ZINC000171841479 346212082 /nfs/dbraw/zinc/21/20/82/346212082.db2.gz QHWLXDCFHFSJFI-UHFFFAOYSA-N 0 3 284.306 3.080 20 30 CGEDHN CN(C)Cc1cccc(NCc2ccccc2C#N)c1 ZINC000222444930 346299449 /nfs/dbraw/zinc/29/94/49/346299449.db2.gz OMVABHNLBSJVHY-UHFFFAOYSA-N 0 3 265.360 3.232 20 30 CGEDHN N#CC1CCC(NCc2cc(F)ccc2F)CC1 ZINC000258695748 346401448 /nfs/dbraw/zinc/40/14/48/346401448.db2.gz FBOHTTOYCKLHCL-UHFFFAOYSA-N 0 3 250.292 3.137 20 30 CGEDHN N#CCCCN[C@@H]1CCSc2c(F)cccc21 ZINC000280766830 346418016 /nfs/dbraw/zinc/41/80/16/346418016.db2.gz ITCWHJLMYGCFTR-GFCCVEGCSA-N 0 3 250.342 3.256 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000313481489 260297938 /nfs/dbraw/zinc/29/79/38/260297938.db2.gz LWXAWPODECBTGA-GFCCVEGCSA-N 0 3 279.380 3.329 20 30 CGEDHN C[C@H](NCC1(O)CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000305791386 346450478 /nfs/dbraw/zinc/45/04/78/346450478.db2.gz DAZSRIVJSFKXLX-ZDUSSCGKSA-N 0 3 290.382 3.433 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593653754 347099932 /nfs/dbraw/zinc/09/99/32/347099932.db2.gz WNCKRMXGWMWJNL-SJLPKXTDSA-N 0 3 297.446 3.495 20 30 CGEDHN C[C@H](Cc1ccccc1F)NCC1(C#N)CCCC1 ZINC000593654467 347101390 /nfs/dbraw/zinc/10/13/90/347101390.db2.gz CRHORKKXJRKACJ-CYBMUJFWSA-N 0 3 260.356 3.430 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC000397744798 346584938 /nfs/dbraw/zinc/58/49/38/346584938.db2.gz NXZFBWOJJBACQA-CQSZACIVSA-N 0 3 254.377 3.301 20 30 CGEDHN CC[C@H]1CN(CCCC(C)(C)C#N)[C@@H](CC)CO1 ZINC000403870157 346598216 /nfs/dbraw/zinc/59/82/16/346598216.db2.gz LCDLQSQXVVVAEP-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](OC(C)C)C1 ZINC000404728956 346600827 /nfs/dbraw/zinc/60/08/27/346600827.db2.gz YQFSOEIHXIREEO-KRWDZBQOSA-N 0 3 272.392 3.256 20 30 CGEDHN CC(C)(C)CCN1CCN(C(=O)CCCCCC#N)CC1 ZINC000588302887 346759174 /nfs/dbraw/zinc/75/91/74/346759174.db2.gz HQSLITRMKOLGFI-UHFFFAOYSA-N 0 3 293.455 3.041 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000589272751 346791886 /nfs/dbraw/zinc/79/18/86/346791886.db2.gz URZSIRGRLYUPOC-DLBZAZTESA-N 0 3 284.403 3.256 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000589300234 346793027 /nfs/dbraw/zinc/79/30/27/346793027.db2.gz ILGUGSGZWLKPHN-QZTJIDSGSA-N 0 3 296.414 3.400 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)C1CCC(F)(F)CC1 ZINC000594040194 347142396 /nfs/dbraw/zinc/14/23/96/347142396.db2.gz FFEUESUGOUANLL-NSHDSACASA-N 0 3 279.334 3.257 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)ccc1OC)[C@H]1CCCCO1 ZINC000594044944 347144233 /nfs/dbraw/zinc/14/42/33/347144233.db2.gz VLQWMJXDRVNKKP-NVXWUHKLSA-N 0 3 288.391 3.004 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000593962625 347124693 /nfs/dbraw/zinc/12/46/93/347124693.db2.gz UUSMEWOLVODSCQ-OAHLLOKOSA-N 0 3 281.334 3.082 20 30 CGEDHN CCCCc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594424388 347173897 /nfs/dbraw/zinc/17/38/97/347173897.db2.gz CMKYBNMHFQFVAA-INIZCTEOSA-N 0 3 287.407 3.379 20 30 CGEDHN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594440356 347174451 /nfs/dbraw/zinc/17/44/51/347174451.db2.gz YHAGVQBUZYLWRN-JYJNAYRXSA-N 0 3 293.455 3.119 20 30 CGEDHN CC(C)C[C@@H]1CCCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594443449 347174852 /nfs/dbraw/zinc/17/48/52/347174852.db2.gz HTWRFXROAKKOIJ-JKSUJKDBSA-N 0 3 293.455 3.215 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)c(F)c1 ZINC000594509691 347182425 /nfs/dbraw/zinc/18/24/25/347182425.db2.gz KMIYPWCCWHEFMH-DLBZAZTESA-N 0 3 288.366 3.135 20 30 CGEDHN C[C@H]1CC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)O1 ZINC000594508842 347182471 /nfs/dbraw/zinc/18/24/71/347182471.db2.gz WYPSCYYJKFYUTB-XJKSGUPXSA-N 0 3 272.392 3.145 20 30 CGEDHN CO[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594522153 347188963 /nfs/dbraw/zinc/18/89/63/347188963.db2.gz YJJRCHQLZFRMTF-INIZCTEOSA-N 0 3 272.392 3.002 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)cc1)C1CCCCC1 ZINC000594997582 347252293 /nfs/dbraw/zinc/25/22/93/347252293.db2.gz NJFLUQHJHJCGAW-QGZVFWFLSA-N 0 3 272.392 3.243 20 30 CGEDHN C[C@H]1C[C@H](C)CN(CCSc2cccnc2C#N)C1 ZINC000594902529 347225346 /nfs/dbraw/zinc/22/53/46/347225346.db2.gz QBKWHLUIJBLXFJ-STQMWFEESA-N 0 3 275.421 3.023 20 30 CGEDHN Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccn1 ZINC000594958680 347240863 /nfs/dbraw/zinc/24/08/63/347240863.db2.gz NTJFCKFLEYAIOF-UHFFFAOYSA-N 0 3 277.371 3.235 20 30 CGEDHN N#Cc1cccc(C2(NCc3ccccc3)CCOCC2)c1 ZINC000594983131 347248643 /nfs/dbraw/zinc/24/86/43/347248643.db2.gz FTVZGTQFQKKQKK-UHFFFAOYSA-N 0 3 292.382 3.354 20 30 CGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCCCC2)CS1 ZINC000594982170 347248778 /nfs/dbraw/zinc/24/87/78/347248778.db2.gz ZZRIBFSBOSMQSQ-CHWSQXEVSA-N 0 3 252.427 3.334 20 30 CGEDHN N#Cc1csc(CNC2CCC3(CC3(F)F)CC2)n1 ZINC000594982714 347248828 /nfs/dbraw/zinc/24/88/28/347248828.db2.gz GQMPPHGAUKCIOD-UHFFFAOYSA-N 0 3 283.347 3.072 20 30 CGEDHN C[C@H](O)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000595101271 347284405 /nfs/dbraw/zinc/28/44/05/347284405.db2.gz CSVMZLXUPBCESB-AGRHKRQWSA-N 0 3 292.382 3.257 20 30 CGEDHN CNCc1ccccc1NC(=O)CC1(C#N)CCCCC1 ZINC000595254323 347285646 /nfs/dbraw/zinc/28/56/46/347285646.db2.gz PWIFKIVQCFEEBH-UHFFFAOYSA-N 0 3 285.391 3.209 20 30 CGEDHN N#CCC[C@H](N[C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000595023908 347260418 /nfs/dbraw/zinc/26/04/18/347260418.db2.gz ZTMXIJHTBVGLRP-CVEARBPZSA-N 0 3 270.376 3.333 20 30 CGEDHN CC[C@@H](COCC1CC1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000595056422 347271682 /nfs/dbraw/zinc/27/16/82/347271682.db2.gz HEWGMSOSGSWIHJ-FUHWJXTLSA-N 0 3 284.403 3.340 20 30 CGEDHN CC[C@@H](COCC1CC1)N[C@H](C)c1cccc(C#N)c1 ZINC000595056941 347272552 /nfs/dbraw/zinc/27/25/52/347272552.db2.gz UCTOSWGFYJKEPJ-DYVFJYSZSA-N 0 3 272.392 3.414 20 30 CGEDHN C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000595056877 347272739 /nfs/dbraw/zinc/27/27/39/347272739.db2.gz SAHTXWHVFXQUPA-TZMCWYRMSA-N 0 3 289.398 3.221 20 30 CGEDHN C[C@H](COc1c(F)cccc1F)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000595073377 347277436 /nfs/dbraw/zinc/27/74/36/347277436.db2.gz WRZXHTKWWAQIJR-JHJVBQTASA-N 0 3 294.345 3.404 20 30 CGEDHN CCOC(=O)C1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595091215 347280314 /nfs/dbraw/zinc/28/03/14/347280314.db2.gz OACZYDGHXTUKDV-UHFFFAOYSA-N 0 3 292.423 3.172 20 30 CGEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCCCC2)cn1 ZINC000595092081 347281425 /nfs/dbraw/zinc/28/14/25/347281425.db2.gz WEHXKGZDEUZEPR-AWEZNQCLSA-N 0 3 287.407 3.085 20 30 CGEDHN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000595093569 347281835 /nfs/dbraw/zinc/28/18/35/347281835.db2.gz CCVSECHWQZJNAL-ZWKOTPCHSA-N 0 3 284.403 3.340 20 30 CGEDHN CC[C@H](C)N(CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595600145 347324085 /nfs/dbraw/zinc/32/40/85/347324085.db2.gz MQBGNKOGJXQKOC-NSHDSACASA-N 0 3 261.325 3.087 20 30 CGEDHN C[C@@H]1COC2(CCC2)CN1CCCCC(C)(C)C#N ZINC000595683698 347337242 /nfs/dbraw/zinc/33/72/42/347337242.db2.gz YMTWUSDMCPVNAO-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779533 347354952 /nfs/dbraw/zinc/35/49/52/347354952.db2.gz BTTPAHMPLUWRJD-RDBSUJKOSA-N 0 3 258.365 3.119 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786282 347355938 /nfs/dbraw/zinc/35/59/38/347355938.db2.gz HKKACBFWFNDTGD-ZWKOTPCHSA-N 0 3 284.403 3.339 20 30 CGEDHN COc1cccc(SCCN2CCC(C)(C#N)CC2)c1 ZINC000595430196 347302337 /nfs/dbraw/zinc/30/23/37/347302337.db2.gz LVXWKWQUZCPIFL-UHFFFAOYSA-N 0 3 290.432 3.413 20 30 CGEDHN N#Cc1ccc(CCN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000595490037 347310670 /nfs/dbraw/zinc/31/06/70/347310670.db2.gz KYZOVPDENQGXCL-QZTJIDSGSA-N 0 3 296.414 3.134 20 30 CGEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)c(F)c1 ZINC000595858593 347368040 /nfs/dbraw/zinc/36/80/40/347368040.db2.gz XQCCWBKPGPOQGF-PHTAMDTFSA-N 0 3 258.340 3.460 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597173911 347544083 /nfs/dbraw/zinc/54/40/83/347544083.db2.gz NIVNEEHJCJIDQD-OAHLLOKOSA-N 0 3 270.376 3.377 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597173910 347544485 /nfs/dbraw/zinc/54/44/85/347544485.db2.gz NIVNEEHJCJIDQD-HNNXBMFYSA-N 0 3 270.376 3.377 20 30 CGEDHN CCn1nc(C)c(CN(C)CCc2ccc(C#N)cc2)c1C ZINC000597241990 347561627 /nfs/dbraw/zinc/56/16/27/347561627.db2.gz CDXBCLPLRSCQJS-UHFFFAOYSA-N 0 3 296.418 3.066 20 30 CGEDHN C=CCCSCCNCc1ccc(C(=O)OC)c(F)c1 ZINC000597184105 347546918 /nfs/dbraw/zinc/54/69/18/347546918.db2.gz GSCRCQDJLUEFAX-UHFFFAOYSA-N 0 3 297.395 3.011 20 30 CGEDHN CC(C#N)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 ZINC000598097425 347627075 /nfs/dbraw/zinc/62/70/75/347627075.db2.gz OBGSRZRJWNMSEG-NSHDSACASA-N 0 3 250.386 3.209 20 30 CGEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC1CC1 ZINC000598983006 347703555 /nfs/dbraw/zinc/70/35/55/347703555.db2.gz XBGZOLKBGNNPHX-GXTWGEPZSA-N 0 3 286.375 3.018 20 30 CGEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)[C@@H]1CCCCO1 ZINC000599037415 347708918 /nfs/dbraw/zinc/70/89/18/347708918.db2.gz AXABZTDMHAIACW-CJNGLKHVSA-N 0 3 270.376 3.095 20 30 CGEDHN C[C@H](c1ccccc1F)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598585441 347667033 /nfs/dbraw/zinc/66/70/33/347667033.db2.gz CXKPDUPZDDEGKJ-CHWSQXEVSA-N 0 3 278.371 3.119 20 30 CGEDHN C[C@@H]1c2ccc(F)cc2CCN1C[C@H](O)CC(C)(C)C#N ZINC000598593592 347668577 /nfs/dbraw/zinc/66/85/77/347668577.db2.gz VBABEWXFQHMPDE-IUODEOHRSA-N 0 3 290.382 3.046 20 30 CGEDHN CO[C@@H](CC(C)C)CN1CCc2c(CC#N)cccc2C1 ZINC000599678456 347764719 /nfs/dbraw/zinc/76/47/19/347764719.db2.gz RDGPXPCWVLQZHD-KRWDZBQOSA-N 0 3 286.419 3.172 20 30 CGEDHN C/C=C\C[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000599688977 347766253 /nfs/dbraw/zinc/76/62/53/347766253.db2.gz GYQVOIVGJDGYSZ-SFAKSCPVSA-N 0 3 255.365 3.131 20 30 CGEDHN CCO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000599349605 347738233 /nfs/dbraw/zinc/73/82/33/347738233.db2.gz KNSXZEDYBUFUIR-LRDDRELGSA-N 0 3 258.365 3.024 20 30 CGEDHN CO[C@@H]1C[C@@H](N(C)Cc2ccc(C)c(C#N)c2)C12CCC2 ZINC000599434849 347744652 /nfs/dbraw/zinc/74/46/52/347744652.db2.gz JWVUXHBPAJJQJK-IAGOWNOFSA-N 0 3 284.403 3.256 20 30 CGEDHN C[C@H]1CN(Cc2cccc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512426 347749384 /nfs/dbraw/zinc/74/93/84/347749384.db2.gz JRFRWIHUUXGMDX-RYUDHWBXSA-N 0 3 264.319 3.281 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H](C)CCC#N)c(OC)c1 ZINC000599597423 347757330 /nfs/dbraw/zinc/75/73/30/347757330.db2.gz ZNXMCHHPQKVQIJ-RYUDHWBXSA-N 0 3 262.353 3.047 20 30 CGEDHN CCc1ccc(C2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000600681368 347828218 /nfs/dbraw/zinc/82/82/18/347828218.db2.gz HIAKWSXRHOJYAU-CYBMUJFWSA-N 0 3 270.376 3.115 20 30 CGEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2cccc(F)c2C#N)cc1 ZINC000600790866 347836987 /nfs/dbraw/zinc/83/69/87/347836987.db2.gz MHBCDFAFXRYQJI-KPZWWZAWSA-N 0 3 296.345 3.414 20 30 CGEDHN C[C@@H](NC[C@@H]1CC(C)(C)CO1)c1ccc(C#N)cc1 ZINC000601942375 347927224 /nfs/dbraw/zinc/92/72/24/347927224.db2.gz SONKWCYWGLRDOI-DOMZBBRYSA-N 0 3 258.365 3.024 20 30 CGEDHN C[C@H](NC[C@@H]1CC(C)(C)CO1)c1cccc(C#N)c1 ZINC000601940429 347927308 /nfs/dbraw/zinc/92/73/08/347927308.db2.gz MZZJVTGEAWYBBW-WFASDCNBSA-N 0 3 258.365 3.024 20 30 CGEDHN CC1(C)C[C@H](NCC2(C#N)CCCCC2)CCO1 ZINC000601963024 347929794 /nfs/dbraw/zinc/92/97/94/347929794.db2.gz IZTCKDLWBHCTSN-CYBMUJFWSA-N 0 3 250.386 3.008 20 30 CGEDHN N#Cc1c(F)cccc1CNCCCC(F)(F)F ZINC000602011548 347932739 /nfs/dbraw/zinc/93/27/39/347932739.db2.gz HSUOWFYXQMLFNO-UHFFFAOYSA-N 0 3 260.234 3.129 20 30 CGEDHN CN(C)Cc1cccc(NCCc2ccc(C#N)cc2)c1 ZINC000601929981 347925021 /nfs/dbraw/zinc/92/50/21/347925021.db2.gz CGZACAZVXJYIOX-UHFFFAOYSA-N 0 3 279.387 3.274 20 30 CGEDHN CC[C@H](C)[C@H](CN(C)Cc1ccc(C#N)cc1)OC ZINC000602438016 347958100 /nfs/dbraw/zinc/95/81/00/347958100.db2.gz GDYYVRKMYAJCPO-BBRMVZONSA-N 0 3 260.381 3.051 20 30 CGEDHN CCCCOc1ncccc1CNC[C@@H](C)CCC#N ZINC000602533441 347976840 /nfs/dbraw/zinc/97/68/40/347976840.db2.gz YNIRAWKXDOCGCJ-AWEZNQCLSA-N 0 3 275.396 3.290 20 30 CGEDHN Cc1nc2sccn2c1CN(C)C[C@@H](C)CCC#N ZINC000602457321 347961315 /nfs/dbraw/zinc/96/13/15/347961315.db2.gz FYJWLAGGGQUBPI-NSHDSACASA-N 0 3 276.409 3.076 20 30 CGEDHN CC[C@H](C)[C@H](C)N(Cc1cccc(C#N)n1)C1CC1 ZINC000602465381 347963063 /nfs/dbraw/zinc/96/30/63/347963063.db2.gz QCHYXUDKEIQFTJ-STQMWFEESA-N 0 3 257.381 3.352 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000602473744 347963633 /nfs/dbraw/zinc/96/36/33/347963633.db2.gz WQVWBPHBIXCWPS-HNNXBMFYSA-N 0 3 295.361 3.157 20 30 CGEDHN Cc1ccc(C[C@H](C)N(C)Cc2cccc(C#N)n2)cc1 ZINC000602473174 347964384 /nfs/dbraw/zinc/96/43/84/347964384.db2.gz JWPNAPOUMXQGPW-HNNXBMFYSA-N 0 3 279.387 3.325 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(F)c(F)c1 ZINC000602520796 347974963 /nfs/dbraw/zinc/97/49/63/347974963.db2.gz JRSFNAAEFZENHM-GFCCVEGCSA-N 0 3 294.345 3.153 20 30 CGEDHN N#Cc1cccc(CN[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000602587986 347989687 /nfs/dbraw/zinc/98/96/87/347989687.db2.gz KOIBNPSRVXQOML-HOTGVXAUSA-N 0 3 255.365 3.012 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc3ncccc23)CC1 ZINC000602604751 347991958 /nfs/dbraw/zinc/99/19/58/347991958.db2.gz HEJGUHNZPXEFCU-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN COc1ccc(CC(C)(C)NCc2cccc(C#N)n2)cc1 ZINC000602629278 347996949 /nfs/dbraw/zinc/99/69/49/347996949.db2.gz LYZHDJAONMSILJ-UHFFFAOYSA-N 0 3 295.386 3.073 20 30 CGEDHN N#CC1CCC(CNCc2nc3ccccc3o2)CC1 ZINC000602658750 348002768 /nfs/dbraw/zinc/00/27/68/348002768.db2.gz XPUVNMNEPAFPLU-UHFFFAOYSA-N 0 3 269.348 3.247 20 30 CGEDHN C[C@@H](CCC#N)CN(CCN(C)C)Cc1ccccc1F ZINC000602659811 348003735 /nfs/dbraw/zinc/00/37/35/348003735.db2.gz SMVBMLIMWSEMKK-HNNXBMFYSA-N 0 3 291.414 3.129 20 30 CGEDHN C[C@H](CCC#N)CN1Cc2ccccc2O[C@@H](C)C1 ZINC000602670657 348005894 /nfs/dbraw/zinc/00/58/94/348005894.db2.gz BJQLRIAYTFPGIS-KGLIPLIRSA-N 0 3 258.365 3.209 20 30 CGEDHN C[C@H](CCC#N)CN[C@@H](Cc1ccccc1)c1nccn1C ZINC000602698281 348012008 /nfs/dbraw/zinc/01/20/08/348012008.db2.gz JFXABMWNJSYFLR-WBVHZDCISA-N 0 3 296.418 3.233 20 30 CGEDHN COc1cccc(C)c1CN1CCC[C@H](CC#N)C1 ZINC000602705817 348013474 /nfs/dbraw/zinc/01/34/74/348013474.db2.gz MJWFOSDJRLRBBG-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](C3CCCCC3)C2)n1 ZINC000602708704 348014345 /nfs/dbraw/zinc/01/43/45/348014345.db2.gz KTLMUMZGPFBWKU-HNNXBMFYSA-N 0 3 269.392 3.355 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)n1)C1CCC(F)(F)CC1 ZINC000602709508 348014913 /nfs/dbraw/zinc/01/49/13/348014913.db2.gz JYXBMSOEKGMEBZ-LLVKDONJSA-N 0 3 279.334 3.257 20 30 CGEDHN C[C@@]1(c2ccccc2)CCN(CC2(CC#N)CC2)C1 ZINC000602786265 348029420 /nfs/dbraw/zinc/02/94/20/348029420.db2.gz FOGFQPNARVGCAE-MRXNPFEDSA-N 0 3 254.377 3.344 20 30 CGEDHN COc1cccc(C[C@H]2CCCN2CC2(CC#N)CC2)c1 ZINC000602769676 348026051 /nfs/dbraw/zinc/02/60/51/348026051.db2.gz URLFLJYMKQDAMB-MRXNPFEDSA-N 0 3 284.403 3.396 20 30 CGEDHN Cc1ccc(C[C@H](C)NCc2cccc(C#N)n2)s1 ZINC000602555610 347981629 /nfs/dbraw/zinc/98/16/29/347981629.db2.gz FZIVBAHLBZAVPN-NSHDSACASA-N 0 3 271.389 3.044 20 30 CGEDHN COc1ccc(F)c(CNCCc2cccc(C#N)c2)c1 ZINC000339387367 215138893 /nfs/dbraw/zinc/13/88/93/215138893.db2.gz IZJLHNVUZMKJKA-UHFFFAOYSA-N 0 3 284.334 3.038 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)[C@@H]1OCCc2sccc21 ZINC000602843113 348035542 /nfs/dbraw/zinc/03/55/42/348035542.db2.gz ZFJIHRQODGYZQR-FZMZJTMJSA-N 0 3 276.405 3.034 20 30 CGEDHN CC1(C)CC[C@H](CN2CCC(c3ccc(C#N)cn3)CC2)O1 ZINC000602906962 348042521 /nfs/dbraw/zinc/04/25/21/348042521.db2.gz JDCNFOPMJJPLNO-MRXNPFEDSA-N 0 3 299.418 3.090 20 30 CGEDHN CN(CC1CCC(F)(F)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602981289 348051696 /nfs/dbraw/zinc/05/16/96/348051696.db2.gz AXKITHUWDGVQTC-CHWSQXEVSA-N 0 3 256.340 3.436 20 30 CGEDHN CCN(Cc1cccc(C#N)c1F)[C@H]1CCOC(C)(C)C1 ZINC000351926268 219250233 /nfs/dbraw/zinc/25/02/33/219250233.db2.gz NXNUPLQMCGHSAM-HNNXBMFYSA-N 0 3 290.382 3.477 20 30 CGEDHN CCN1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000611084590 348421549 /nfs/dbraw/zinc/42/15/49/348421549.db2.gz FXWKMOXACLSNAO-LLVKDONJSA-N 0 3 297.324 3.107 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)F)C1 ZINC000611180519 348426829 /nfs/dbraw/zinc/42/68/29/348426829.db2.gz YVTBJGGKLHQXQJ-ZWNOBZJWSA-N 0 3 250.292 3.206 20 30 CGEDHN CC(C)(C#N)CCN[C@H](Cn1cccn1)c1ccccc1 ZINC000611463061 348453554 /nfs/dbraw/zinc/45/35/54/348453554.db2.gz RUGOVIPJAIZFFF-MRXNPFEDSA-N 0 3 282.391 3.154 20 30 CGEDHN CC(C)(CCC#N)CN1CCC[C@H](OC(F)F)C1 ZINC000611608955 348463198 /nfs/dbraw/zinc/46/31/98/348463198.db2.gz DUHSXJQIDHEGAD-NSHDSACASA-N 0 3 260.328 3.020 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN=c1[nH]c2ccccc2o1)C(C)C ZINC000613414040 348599041 /nfs/dbraw/zinc/59/90/41/348599041.db2.gz JIEAZAPZLVUAGM-INIZCTEOSA-N 0 3 299.418 3.360 20 30 CGEDHN CN1CCC[C@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613422823 348600059 /nfs/dbraw/zinc/60/00/59/348600059.db2.gz CUNBDCBAGMLQDP-CYBMUJFWSA-N 0 3 286.423 3.004 20 30 CGEDHN C[C@@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000613426138 348600558 /nfs/dbraw/zinc/60/05/58/348600558.db2.gz SHTFQUUQZYYMKG-TZMCWYRMSA-N 0 3 286.423 3.145 20 30 CGEDHN CN(CCN(C)C1CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614185856 348656769 /nfs/dbraw/zinc/65/67/69/348656769.db2.gz AKEZXMKLALBMAI-UHFFFAOYSA-N 0 3 285.435 3.014 20 30 CGEDHN CO[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000615231190 348725049 /nfs/dbraw/zinc/72/50/49/348725049.db2.gz BVRIHRHYFJXMHE-CQSZACIVSA-N 0 3 278.783 3.213 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000273480729 192168864 /nfs/dbraw/zinc/16/88/64/192168864.db2.gz UQJROVUCUUODEF-WCQYABFASA-N 0 3 281.421 3.005 20 30 CGEDHN CC(C)(C#N)CCCCN1CC2(C1)CC(F)(F)C2 ZINC000618291168 349066948 /nfs/dbraw/zinc/06/69/48/349066948.db2.gz ZKJAEENMIUJCMQ-UHFFFAOYSA-N 0 3 256.340 3.438 20 30 CGEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000618806999 349156730 /nfs/dbraw/zinc/15/67/30/349156730.db2.gz UNTLNPSCCYSRNY-PXAZEXFGSA-N 0 3 263.344 3.291 20 30 CGEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccnc1 ZINC000618805759 349156942 /nfs/dbraw/zinc/15/69/42/349156942.db2.gz KJXZSZSJWAEMCR-SJKOYZFVSA-N 0 3 263.344 3.291 20 30 CGEDHN CC1(C)SC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000619823332 349286095 /nfs/dbraw/zinc/28/60/95/349286095.db2.gz REAWKBFFTDVOGD-LSDHHAIUSA-N 0 3 272.417 3.419 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000620861502 349431010 /nfs/dbraw/zinc/43/10/10/349431010.db2.gz SIDIBKBYHKPOPL-IHRRRGAJSA-N 0 3 266.429 3.109 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000620861503 349431155 /nfs/dbraw/zinc/43/11/55/349431155.db2.gz SIDIBKBYHKPOPL-MCIONIFRSA-N 0 3 266.429 3.109 20 30 CGEDHN C=CCCNCc1cc(OC)c(Br)cc1F ZINC000631173968 350978630 /nfs/dbraw/zinc/97/86/30/350978630.db2.gz UOWOHPVJTDRFHF-UHFFFAOYSA-N 0 3 288.160 3.263 20 30 CGEDHN C=CCC[C@@H](N[C@@H](CCC)CCO)c1ccco1 ZINC000631669082 351113300 /nfs/dbraw/zinc/11/33/00/351113300.db2.gz PADQROMSCDACFJ-UONOGXRCSA-N 0 3 251.370 3.428 20 30 CGEDHN Cc1ccncc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000123227492 187079200 /nfs/dbraw/zinc/07/92/00/187079200.db2.gz DNCNUGOJWHXCOQ-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN C=CCN(C[C@@H](O)c1ccccc1Cl)C1CC1 ZINC000271472953 191159384 /nfs/dbraw/zinc/15/93/84/191159384.db2.gz RNJKMKBRLKBWKM-CQSZACIVSA-N 0 3 251.757 3.024 20 30 CGEDHN C=C(Cl)CN[C@H](C)c1cccc(OCCN(C)C)c1 ZINC000271560709 191212369 /nfs/dbraw/zinc/21/23/69/191212369.db2.gz XLYBHUJTLNOCRK-CYBMUJFWSA-N 0 3 282.815 3.030 20 30 CGEDHN C[C@@H](N[C@@H]1CCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000366213613 234156940 /nfs/dbraw/zinc/15/69/40/234156940.db2.gz KHDVXROYNJJJSI-CRAIPNDOSA-N 0 3 291.398 3.488 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000271622482 191246086 /nfs/dbraw/zinc/24/60/86/191246086.db2.gz BRMDJOKSIYRHJZ-PWSUYJOCSA-N 0 3 271.763 3.457 20 30 CGEDHN COc1cc(CN(C)[C@H](C)c2ccc(C#N)cc2)ccc1O ZINC000156834360 188283932 /nfs/dbraw/zinc/28/39/32/188283932.db2.gz FLSLNZOORPCTDR-CYBMUJFWSA-N 0 3 296.370 3.465 20 30 CGEDHN Cc1cc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)ccc1F ZINC000271681841 191275026 /nfs/dbraw/zinc/27/50/26/191275026.db2.gz BTOAOEZGVVGYLC-FZKQIMNGSA-N 0 3 298.361 3.390 20 30 CGEDHN COc1ccc(C[C@@H](C)CNCc2ccc(C#N)o2)cc1 ZINC000157923156 188347398 /nfs/dbraw/zinc/34/73/98/188347398.db2.gz PUNWZBCYZGTXOM-CYBMUJFWSA-N 0 3 284.359 3.128 20 30 CGEDHN C[C@@H](N[C@H]1CCCSC1)c1ccc(C#N)cc1F ZINC000336376896 213230415 /nfs/dbraw/zinc/23/04/15/213230415.db2.gz BRSSQQXLIWQKLB-PWSUYJOCSA-N 0 3 264.369 3.244 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2Cc3ccccc3C3(CC3)C2)C1 ZINC000336573654 283058177 /nfs/dbraw/zinc/05/81/77/283058177.db2.gz VCKBYBNXNXQKGP-UKRRQHHQSA-N 0 3 252.361 3.226 20 30 CGEDHN CC(C)[C@@H](O)C1(CN[C@H](C)c2cccc(C#N)c2)CC1 ZINC000271873349 191383125 /nfs/dbraw/zinc/38/31/25/191383125.db2.gz NJKJHWKCQACSJR-CZUORRHYSA-N 0 3 272.392 3.006 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2cn[nH]c21)c1cccc(C#N)c1 ZINC000271885168 191388903 /nfs/dbraw/zinc/38/89/03/191388903.db2.gz QMJZLSYTEUJDRN-XHDPSFHLSA-N 0 3 266.348 3.010 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc[nH]c1 ZINC000334934183 283193869 /nfs/dbraw/zinc/19/38/69/283193869.db2.gz HQRHHFIQKLULLK-INIZCTEOSA-N 0 3 251.333 3.054 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc[nH]c1 ZINC000334934193 283194656 /nfs/dbraw/zinc/19/46/56/283194656.db2.gz HQRHHFIQKLULLK-MRXNPFEDSA-N 0 3 251.333 3.054 20 30 CGEDHN N#Cc1ccccc1CN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000335235312 283214526 /nfs/dbraw/zinc/21/45/26/283214526.db2.gz SUCDXGJJOFUWLK-SFHVURJKSA-N 0 3 296.414 3.339 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCc3ccccc32)c1 ZINC000093492221 138346008 /nfs/dbraw/zinc/34/60/08/138346008.db2.gz VQMYXUWNVQWXLD-OAHLLOKOSA-N 0 3 254.358 3.397 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H](CCO)C1CCCCC1 ZINC000428341650 236394169 /nfs/dbraw/zinc/39/41/69/236394169.db2.gz PNUNPEVDXHNHBI-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN CO[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)CC1(C)C ZINC000336208793 213030799 /nfs/dbraw/zinc/03/07/99/213030799.db2.gz HYRIAOHQNWCPDY-MRXNPFEDSA-N 0 3 272.392 3.114 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CC2 ZINC000336004165 212805829 /nfs/dbraw/zinc/80/58/29/212805829.db2.gz GTNOYPHXEOULQO-SFHVURJKSA-N 0 3 273.339 3.207 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000341825212 216117650 /nfs/dbraw/zinc/11/76/50/216117650.db2.gz PUOUSBUHYAFWCC-RHSMWYFYSA-N 0 3 292.386 3.201 20 30 CGEDHN COc1ccc(C)cc1CCNCc1ccc(C#N)s1 ZINC000176943091 189015982 /nfs/dbraw/zinc/01/59/82/189015982.db2.gz ZLWAAOZLIDAXJI-UHFFFAOYSA-N 0 3 286.400 3.269 20 30 CGEDHN CO[C@H]1C[C@H](N(C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000451829901 240367525 /nfs/dbraw/zinc/36/75/25/240367525.db2.gz BSLLUGJEIPTUIL-HOTGVXAUSA-N 0 3 288.366 3.087 20 30 CGEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000301522582 201046177 /nfs/dbraw/zinc/04/61/77/201046177.db2.gz OAOSPYXTNUXJHG-GOSISDBHSA-N 0 3 292.386 3.030 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)c(C)c1)Cc1ccccc1 ZINC000449394776 239378662 /nfs/dbraw/zinc/37/86/62/239378662.db2.gz RMKKMKWOLBPBHP-LJQANCHMSA-N 0 3 294.398 3.214 20 30 CGEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)CCC(C)(C)C#N ZINC000119999285 370730456 /nfs/dbraw/zinc/73/04/56/370730456.db2.gz KBWICVHXMGKLNA-BBRMVZONSA-N 0 3 272.392 3.250 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)cc1 ZINC000335579920 212291324 /nfs/dbraw/zinc/29/13/24/212291324.db2.gz LWSMYGHSSCBVGU-MRXNPFEDSA-N 0 3 272.417 3.277 20 30 CGEDHN C=CCC[C@@H](C(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000275386609 193019037 /nfs/dbraw/zinc/01/90/37/193019037.db2.gz YBFJJRQWKAYWFM-GOSISDBHSA-N 0 3 298.430 3.115 20 30 CGEDHN Cc1ccc(C#N)cc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000275624711 193089322 /nfs/dbraw/zinc/08/93/22/193089322.db2.gz SNCOPZDRQOEQAI-IHRRRGAJSA-N 0 3 285.391 3.067 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccccc1CCN(C)C ZINC000275982894 193179383 /nfs/dbraw/zinc/17/93/83/193179383.db2.gz LSJPWOORHSVXFA-KRWDZBQOSA-N 0 3 274.408 3.332 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H]1CCCS1 ZINC000122052340 370902352 /nfs/dbraw/zinc/90/23/52/370902352.db2.gz JRHFKKDKOWIVFS-CQSZACIVSA-N 0 3 263.406 3.237 20 30 CGEDHN C=C[C@H](CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000124205843 370921996 /nfs/dbraw/zinc/92/19/96/370921996.db2.gz GWUADPXWYUGVJE-INMHGKMJSA-N 0 3 298.430 3.088 20 30 CGEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000026468497 368859609 /nfs/dbraw/zinc/85/96/09/368859609.db2.gz MAQGNGTVHUTXTJ-CJNGLKHVSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1cccc(C#N)c1 ZINC000037218172 369076442 /nfs/dbraw/zinc/07/64/42/369076442.db2.gz NGSBTXXILRFOEZ-CJNGLKHVSA-N 0 3 283.375 3.105 20 30 CGEDHN COc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000042267113 369209213 /nfs/dbraw/zinc/20/92/13/369209213.db2.gz SUPHRNMRHAJIKD-UHFFFAOYSA-N 0 3 266.344 3.199 20 30 CGEDHN C[C@H](NCCOc1ccccc1)c1ccc(C#N)cc1 ZINC000042895586 369236915 /nfs/dbraw/zinc/23/69/15/369236915.db2.gz WVJFFSBYQYZVFU-AWEZNQCLSA-N 0 3 266.344 3.288 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000076735304 369941377 /nfs/dbraw/zinc/94/13/77/369941377.db2.gz YEBNNNCJYJNTMJ-CYBMUJFWSA-N 0 3 294.826 3.243 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000076734405 369941954 /nfs/dbraw/zinc/94/19/54/369941954.db2.gz RJEQQAPALCACNX-INIZCTEOSA-N 0 3 288.435 3.240 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000090883651 370069484 /nfs/dbraw/zinc/06/94/84/370069484.db2.gz SOBHNLLKXWRJNK-OAHLLOKOSA-N 0 3 299.418 3.424 20 30 CGEDHN C=CC1CCN(Cc2ccc(OCC)c(OC)c2)CC1 ZINC000093359333 370118051 /nfs/dbraw/zinc/11/80/51/370118051.db2.gz SOFBMOVKQNCPSQ-UHFFFAOYSA-N 0 3 275.392 3.492 20 30 CGEDHN CC(C)C[C@@H]1COCCN1CC(C)(C)CCC#N ZINC000093340381 370118918 /nfs/dbraw/zinc/11/89/18/370118918.db2.gz QULJULPSKCTDAQ-CQSZACIVSA-N 0 3 252.402 3.063 20 30 CGEDHN Cc1cccc(C)c1OCCCN1CCC(C#N)CC1 ZINC000112697308 370442831 /nfs/dbraw/zinc/44/28/31/370442831.db2.gz AZCRVJLGPHUSIR-UHFFFAOYSA-N 0 3 272.392 3.308 20 30 CGEDHN C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(C#N)cc1F ZINC000512292967 245032823 /nfs/dbraw/zinc/03/28/23/245032823.db2.gz CPJAMSXBRRPJRQ-DOMZBBRYSA-N 0 3 296.345 3.352 20 30 CGEDHN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000512635087 245042194 /nfs/dbraw/zinc/04/21/94/245042194.db2.gz FSXZCRRHQNUEFW-NSLUBLRVSA-N 0 3 290.382 3.407 20 30 CGEDHN CN(CCc1cccs1)Cc1ccc(C#N)s1 ZINC000131241556 371092702 /nfs/dbraw/zinc/09/27/02/371092702.db2.gz RBDBKCZROFLCLZ-UHFFFAOYSA-N 0 3 262.403 3.356 20 30 CGEDHN CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@@H](CC)CC#N ZINC000133198766 371235409 /nfs/dbraw/zinc/23/54/09/371235409.db2.gz ZIGNTTLUKBZUFQ-LSDHHAIUSA-N 0 3 290.407 3.307 20 30 CGEDHN Cc1ccccc1C[C@H](C)NCc1ccc(C#N)o1 ZINC000135153283 371395851 /nfs/dbraw/zinc/39/58/51/371395851.db2.gz IIAPMCHMGNPDIK-ZDUSSCGKSA-N 0 3 254.333 3.181 20 30 CGEDHN CSC[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000135445189 371427036 /nfs/dbraw/zinc/42/70/36/371427036.db2.gz COGYBGHZZMTMIG-ZDUSSCGKSA-N 0 3 264.369 3.025 20 30 CGEDHN C=CCCCCCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000286739432 371546813 /nfs/dbraw/zinc/54/68/13/371546813.db2.gz IIYPUWDHYSAPHG-HNNXBMFYSA-N 0 3 293.455 3.073 20 30 CGEDHN C=CCCCCCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000286739434 371547015 /nfs/dbraw/zinc/54/70/15/371547015.db2.gz IIYPUWDHYSAPHG-OAHLLOKOSA-N 0 3 293.455 3.073 20 30 CGEDHN CC(C)SCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000287059584 371596405 /nfs/dbraw/zinc/59/64/05/371596405.db2.gz NJTVXUCSTCHXNF-LLVKDONJSA-N 0 3 266.385 3.490 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000154224057 371828761 /nfs/dbraw/zinc/82/87/61/371828761.db2.gz DRAHFHYCTOXJLY-MNOVXSKESA-N 0 3 264.325 3.219 20 30 CGEDHN Cc1nc(CCN[C@@H](C)c2ccc(C#N)cc2)c(C)o1 ZINC000344116021 217057280 /nfs/dbraw/zinc/05/72/80/217057280.db2.gz FTXSOLSKYABPLJ-NSHDSACASA-N 0 3 269.348 3.056 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2c(C#N)cnc3ccccc32)CN1C1CC1 ZINC000290529778 372011294 /nfs/dbraw/zinc/01/12/94/372011294.db2.gz DBSHZMABSFRPRV-TZMCWYRMSA-N 0 3 292.386 3.144 20 30 CGEDHN C=CCN1CC[C@@H](N2CC(C)(C)C[C@H]2c2ccccc2)C1=O ZINC000425545256 372132713 /nfs/dbraw/zinc/13/27/13/372132713.db2.gz RUDWEPAHQUUJTN-SJORKVTESA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426765336 372170876 /nfs/dbraw/zinc/17/08/76/372170876.db2.gz MRNYPDMKSLPGJV-AWEZNQCLSA-N 0 3 288.439 3.154 20 30 CGEDHN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1CCCC#N ZINC000425473028 372128224 /nfs/dbraw/zinc/12/82/24/372128224.db2.gz JTIFLTWMJMEQEH-AWEZNQCLSA-N 0 3 280.412 3.267 20 30 CGEDHN N#Cc1c(F)cccc1CN(CC1CC1)CC1CC1 ZINC000428392855 372189728 /nfs/dbraw/zinc/18/97/28/372189728.db2.gz VNSHZHOWDDTAGB-UHFFFAOYSA-N 0 3 258.340 3.319 20 30 CGEDHN C=C[C@@H]1CCCCN1CCN1CCc2ccccc21 ZINC000428984305 372296029 /nfs/dbraw/zinc/29/60/29/372296029.db2.gz HOFTZAZUEKRLCH-MRXNPFEDSA-N 0 3 256.393 3.090 20 30 CGEDHN C=CCC(C)(C)CNCc1nc2ccccc2n1C ZINC000292908896 372246105 /nfs/dbraw/zinc/24/61/05/372246105.db2.gz HDVANARLTNUDSA-UHFFFAOYSA-N 0 3 257.381 3.265 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000430736464 372394563 /nfs/dbraw/zinc/39/45/63/372394563.db2.gz DQUKJIBFFNCWNI-OAHLLOKOSA-N 0 3 285.347 3.256 20 30 CGEDHN C=CCOCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000293531003 372403279 /nfs/dbraw/zinc/40/32/79/372403279.db2.gz PLLBUGVHIKMCEQ-UHFFFAOYSA-N 0 3 278.352 3.008 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(C)cc1OC ZINC000163521762 372475405 /nfs/dbraw/zinc/47/54/05/372475405.db2.gz ZGXGTNCVFHJALC-CQSZACIVSA-N 0 3 263.381 3.247 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000432071623 372533300 /nfs/dbraw/zinc/53/33/00/372533300.db2.gz KUXOYXSUSRBUEM-LSDHHAIUSA-N 0 3 295.471 3.008 20 30 CGEDHN N#CCCC[C@H](NCC(=O)N1CCCCC1)c1ccccc1 ZINC000433016438 372578838 /nfs/dbraw/zinc/57/88/38/372578838.db2.gz QTKYSMSCJIRJJY-KRWDZBQOSA-N 0 3 299.418 3.024 20 30 CGEDHN COCc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353388030 220057918 /nfs/dbraw/zinc/05/79/18/220057918.db2.gz PKTSOODUCFCDFU-LJQANCHMSA-N 0 3 292.382 3.482 20 30 CGEDHN C=CCOc1ccc(CN2CCC(CF)CC2)cc1OC ZINC000295088750 372692399 /nfs/dbraw/zinc/69/23/99/372692399.db2.gz RGVJFPFJWGGDNT-UHFFFAOYSA-N 0 3 293.382 3.442 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNc1ccnc2ccc(C)cc21 ZINC000435594332 372781551 /nfs/dbraw/zinc/78/15/51/372781551.db2.gz WEZRDGJIKACYPC-KSSFIOAISA-N 0 3 282.387 3.358 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc(-c2ccccc2)c[nH]1 ZINC000435736725 372799588 /nfs/dbraw/zinc/79/95/88/372799588.db2.gz YMYNDAPKIVWIRQ-QAPCUYQASA-N 0 3 297.402 3.148 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(C(C)C)s1 ZINC000435734974 372799983 /nfs/dbraw/zinc/79/99/83/372799983.db2.gz ZOWZACZSWBYTGB-DOMZBBRYSA-N 0 3 280.437 3.337 20 30 CGEDHN COc1cc(CNCc2cc(C)cs2)ccc1C#N ZINC000344615412 217250331 /nfs/dbraw/zinc/25/03/31/217250331.db2.gz GESOVRWAMMSAIS-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1=C(C)CCC1)C(C)C ZINC000437663694 372855626 /nfs/dbraw/zinc/85/56/26/372855626.db2.gz BJYXBWKECBQRDB-QGZVFWFLSA-N 0 3 290.451 3.302 20 30 CGEDHN C[C@H](NCc1ccc(C#N)o1)[C@H]1Oc2ccccc2[C@H]1C ZINC000344700465 217280432 /nfs/dbraw/zinc/28/04/32/217280432.db2.gz OOTCWVZXRHRSQG-PEBVRCNWSA-N 0 3 282.343 3.194 20 30 CGEDHN CO[C@H](C)CN(CC#Cc1ccccc1Cl)C(C)C ZINC000441167445 372998635 /nfs/dbraw/zinc/99/86/35/372998635.db2.gz MITLOPJFHDICDU-CQSZACIVSA-N 0 3 279.811 3.437 20 30 CGEDHN CCCN(CC#Cc1ccc(F)cc1)C[C@@H]1CCCCO1 ZINC000440309283 372986090 /nfs/dbraw/zinc/98/60/90/372986090.db2.gz AMWDVMVGBBOCBE-SFHVURJKSA-N 0 3 289.394 3.458 20 30 CGEDHN CC[C@]1(C)CN(CCCCC(C)(C)C#N)CCO1 ZINC000444688728 373237591 /nfs/dbraw/zinc/23/75/91/373237591.db2.gz KQHHWEAFGRGQTH-OAHLLOKOSA-N 0 3 252.402 3.207 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C(C)C)C1 ZINC000444773913 373269909 /nfs/dbraw/zinc/26/99/09/373269909.db2.gz UALXRFKYHCSWMZ-HNNXBMFYSA-N 0 3 272.392 3.435 20 30 CGEDHN C[C@@H](NC(C)(C)CNCc1ccc(C#N)o1)c1ccccc1 ZINC000174390007 373305753 /nfs/dbraw/zinc/30/57/53/373305753.db2.gz KTAUPJBSKLLQQV-CQSZACIVSA-N 0 3 297.402 3.370 20 30 CGEDHN N#Cc1ccc(S[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000298454460 373332085 /nfs/dbraw/zinc/33/20/85/373332085.db2.gz SMIUPGMGZMXJLJ-INIZCTEOSA-N 0 3 295.411 3.320 20 30 CGEDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCCCC#N ZINC000175386162 373462144 /nfs/dbraw/zinc/46/21/44/373462144.db2.gz QWONJPZWFCZLOQ-DJJJIMSYSA-N 0 3 278.421 3.111 20 30 CGEDHN N#Cc1ccc(NCCCN2CCc3ccccc3C2)cc1 ZINC000301100790 373660049 /nfs/dbraw/zinc/66/00/49/373660049.db2.gz QDQZFBFPUBPFDV-UHFFFAOYSA-N 0 3 291.398 3.419 20 30 CGEDHN C=CCC[C@@H](NCc1c(C)nnn1CC)c1ccccc1 ZINC000449208647 373670780 /nfs/dbraw/zinc/67/07/80/373670780.db2.gz RPBCYRWYDBNZNC-MRXNPFEDSA-N 0 3 284.407 3.404 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000449518212 373817742 /nfs/dbraw/zinc/81/77/42/373817742.db2.gz IQVARLJBVYHYNI-OLZOCXBDSA-N 0 3 271.282 3.139 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OC)[C@@H](C)C2)cc1 ZINC000449491900 373781838 /nfs/dbraw/zinc/78/18/38/373781838.db2.gz BAFLLGXJKGUZGW-WMLDXEAASA-N 0 3 275.392 3.108 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OCC)[C@@H](C)C2)c1 ZINC000449490733 373782076 /nfs/dbraw/zinc/78/20/76/373782076.db2.gz CQKLMKQLVZVBPW-MAUKXSAKSA-N 0 3 289.419 3.498 20 30 CGEDHN Oc1ccccc1/C=N/CC1CCN(c2ccncc2)CC1 ZINC000179703928 373907265 /nfs/dbraw/zinc/90/72/65/373907265.db2.gz VUSSBOBYFVQZEL-XSFVSMFZSA-N 0 3 295.386 3.123 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000180454637 374009286 /nfs/dbraw/zinc/00/92/86/374009286.db2.gz DVITYNIIXVRKJZ-ZDUSSCGKSA-N 0 3 293.432 3.418 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000180454858 374011107 /nfs/dbraw/zinc/01/11/07/374011107.db2.gz XBGULBDYNFUFCQ-LBPRGKRZSA-N 0 3 280.393 3.473 20 30 CGEDHN CCC(CC)CN(CCC#N)CC1CCC(=O)CC1 ZINC000450463177 374146132 /nfs/dbraw/zinc/14/61/32/374146132.db2.gz MSZIMGAJCLMARC-UHFFFAOYSA-N 0 3 264.413 3.398 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000185221067 374613041 /nfs/dbraw/zinc/61/30/41/374613041.db2.gz RSGFIEZSOVFQOR-HZPDHXFCSA-N 0 3 290.382 3.379 20 30 CGEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000185635570 374703150 /nfs/dbraw/zinc/70/31/50/374703150.db2.gz BOSHWSDZCQRHAJ-NVXWUHKLSA-N 0 3 299.418 3.054 20 30 CGEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000185573957 374690291 /nfs/dbraw/zinc/69/02/91/374690291.db2.gz IOWSEWGVGARMGL-NFAWXSAZSA-N 0 3 287.363 3.055 20 30 CGEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)[C@H]1COc2ccccc21 ZINC000185630364 374702343 /nfs/dbraw/zinc/70/23/43/374702343.db2.gz IWDQFYUSCFLRHC-MLGOLLRUSA-N 0 3 296.345 3.352 20 30 CGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1OC ZINC000185656417 374706342 /nfs/dbraw/zinc/70/63/42/374706342.db2.gz LRLFIAWXXITMRB-SWLSCSKDSA-N 0 3 258.365 3.187 20 30 CGEDHN COc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1C ZINC000185812481 374743274 /nfs/dbraw/zinc/74/32/74/374743274.db2.gz KTGURZIDKCOUCD-UKRRQHHQSA-N 0 3 258.365 3.176 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186696189 374900595 /nfs/dbraw/zinc/90/05/95/374900595.db2.gz SYIYDQBRCIQEEW-PWSUYJOCSA-N 0 3 289.297 3.173 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000186696243 374900896 /nfs/dbraw/zinc/90/08/96/374900896.db2.gz YXGZVWMUFCKNAG-ONGXEEELSA-N 0 3 257.736 3.067 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1oc2ccccc2c1C ZINC000186695814 374900378 /nfs/dbraw/zinc/90/03/78/374900378.db2.gz QNUJMLDFMKJINK-OLZOCXBDSA-N 0 3 259.349 3.329 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000186720259 374906675 /nfs/dbraw/zinc/90/66/75/374906675.db2.gz WGHFDNYBKFNRKC-ONGXEEELSA-N 0 3 289.297 3.015 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470724740 374999641 /nfs/dbraw/zinc/99/96/41/374999641.db2.gz WCOMUYWINWCWQY-IBGZPJMESA-N 0 3 281.399 3.417 20 30 CGEDHN N#Cc1ccc(CNC2(Cc3ccccc3)CC2)s1 ZINC000187492912 375031000 /nfs/dbraw/zinc/03/10/00/375031000.db2.gz VBYFSPYTQCHTSG-UHFFFAOYSA-N 0 3 268.385 3.485 20 30 CGEDHN C=CC[C@@H](C(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000187748912 375087458 /nfs/dbraw/zinc/08/74/58/375087458.db2.gz PGUIUAHHIUJXBY-GOSISDBHSA-N 0 3 298.430 3.089 20 30 CGEDHN C=C(CC)CNC(C)(C)c1nc2ccccc2n1C ZINC000473164664 375045394 /nfs/dbraw/zinc/04/53/94/375045394.db2.gz XHKMVIZNXBRWMS-UHFFFAOYSA-N 0 3 257.381 3.364 20 30 CGEDHN Cc1cnccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334926891 375045835 /nfs/dbraw/zinc/04/58/35/375045835.db2.gz UMXAAUYXZJHQDM-SFHVURJKSA-N 0 3 277.371 3.429 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474864675 375128839 /nfs/dbraw/zinc/12/88/39/375128839.db2.gz PFLXYEGGOPFPBE-WOPDTQHZSA-N 0 3 278.783 3.450 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CCC(C)C ZINC000481742550 375165793 /nfs/dbraw/zinc/16/57/93/375165793.db2.gz LWKUTDDXROPQID-KRWDZBQOSA-N 0 3 291.435 3.480 20 30 CGEDHN COc1ccc(CN2CCCC[C@@H](C)C2)cc1C#N ZINC000187916561 375115201 /nfs/dbraw/zinc/11/52/01/375115201.db2.gz VTOPOTHYQUUSTP-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN N#Cc1ccc(CN(CC[C@H]2CCCO2)C2CC2)cc1 ZINC000188916930 375291873 /nfs/dbraw/zinc/29/18/73/375291873.db2.gz SWLACKHFPJCDBK-QGZVFWFLSA-N 0 3 270.376 3.092 20 30 CGEDHN COCCN(Cc1cc(C#N)ccc1F)[C@@H]1CCC[C@@H]1C ZINC000487998210 375294522 /nfs/dbraw/zinc/29/45/22/375294522.db2.gz HDUXHTZXMOFKNS-SUMWQHHRSA-N 0 3 290.382 3.334 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000493409100 375470075 /nfs/dbraw/zinc/47/00/75/375470075.db2.gz GBKWYIYKYDWJDF-CVEARBPZSA-N 0 3 254.377 3.291 20 30 CGEDHN C=C(Cl)CN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000496473461 375535808 /nfs/dbraw/zinc/53/58/08/375535808.db2.gz VVNDGMAJUKGSRG-CQSZACIVSA-N 0 3 288.819 3.022 20 30 CGEDHN CCC(=O)CCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000190197795 375484695 /nfs/dbraw/zinc/48/46/95/375484695.db2.gz HTRFYZCNCWSCJR-CYBMUJFWSA-N 0 3 258.365 3.310 20 30 CGEDHN C=C(CC)CN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494485577 375488729 /nfs/dbraw/zinc/48/87/29/375488729.db2.gz LWDUFPISPMMSKL-AWEZNQCLSA-N 0 3 282.428 3.189 20 30 CGEDHN C=CCN(C)CCOc1ccccc1C(F)(F)F ZINC000494643967 375490338 /nfs/dbraw/zinc/49/03/38/375490338.db2.gz WWEKDQXQEKOVGC-UHFFFAOYSA-N 0 3 259.271 3.202 20 30 CGEDHN C=CCN(C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000494692020 375492320 /nfs/dbraw/zinc/49/23/20/375492320.db2.gz SLSWJHPRXOZPDE-UHFFFAOYSA-N 0 3 275.270 3.082 20 30 CGEDHN C=CCN(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000494706471 375492357 /nfs/dbraw/zinc/49/23/57/375492357.db2.gz FDUCLGKVCUAPKD-MRXNPFEDSA-N 0 3 291.435 3.150 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CCCCC1)C(C)C ZINC000496013094 375510558 /nfs/dbraw/zinc/51/05/58/375510558.db2.gz GYNURYGZIUARBS-KRWDZBQOSA-N 0 3 292.467 3.382 20 30 CGEDHN Cc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)ccc1C#N ZINC000335933688 375550683 /nfs/dbraw/zinc/55/06/83/375550683.db2.gz NSHGURWUJXKDLX-IAGOWNOFSA-N 0 3 270.376 3.010 20 30 CGEDHN Cn1cc(CN(CCc2cccc(F)c2)C2CC2)cc1C#N ZINC000191368010 375618612 /nfs/dbraw/zinc/61/86/12/375618612.db2.gz WKKVUICSUJULQU-UHFFFAOYSA-N 0 3 297.377 3.243 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cc(C#N)n(C)c1 ZINC000191385818 375622121 /nfs/dbraw/zinc/62/21/21/375622121.db2.gz MWYZJIWBCSDZFR-CZUORRHYSA-N 0 3 297.377 3.414 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)C(C)C)C(C)C ZINC000498367158 375627011 /nfs/dbraw/zinc/62/70/11/375627011.db2.gz JPJHPWZGKUYHIH-HZPDHXFCSA-N 0 3 280.456 3.093 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000498782179 375628637 /nfs/dbraw/zinc/62/86/37/375628637.db2.gz LYPNDTYWGGOOBO-LLVKDONJSA-N 0 3 292.329 3.400 20 30 CGEDHN C[C@H](CNCc1cc(C#N)n(C)c1)Sc1ccccc1 ZINC000191226146 375598853 /nfs/dbraw/zinc/59/88/53/375598853.db2.gz JQFLXKZJVZIPOS-CYBMUJFWSA-N 0 3 285.416 3.167 20 30 CGEDHN C[C@@H](N[C@H]1CCCC1(C)C)C(=O)Nc1ccccc1C#N ZINC000191307183 375606765 /nfs/dbraw/zinc/60/67/65/375606765.db2.gz HWWRICQBZPFJQY-DOMZBBRYSA-N 0 3 285.391 3.054 20 30 CGEDHN C[C@H](N[C@H]1CCCC1(C)C)C(=O)Nc1ccccc1C#N ZINC000191307168 375607922 /nfs/dbraw/zinc/60/79/22/375607922.db2.gz HWWRICQBZPFJQY-WFASDCNBSA-N 0 3 285.391 3.054 20 30 CGEDHN C=CCC[C@H](O)CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503433294 375650961 /nfs/dbraw/zinc/65/09/61/375650961.db2.gz PMFDQBJKIKCNIZ-RCBQFDQVSA-N 0 3 279.811 3.492 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](C)C2)cc1OC ZINC000505327423 375657250 /nfs/dbraw/zinc/65/72/50/375657250.db2.gz UTOPFXCBTVHDMT-AWEZNQCLSA-N 0 3 275.392 3.492 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192145741 375702718 /nfs/dbraw/zinc/70/27/18/375702718.db2.gz CLDHSXXOEAVBGL-ZDUSSCGKSA-N 0 3 266.385 3.271 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000336465190 375797698 /nfs/dbraw/zinc/79/76/98/375797698.db2.gz WWLVXGJYSHFSEU-VHSXEESVSA-N 0 3 258.346 3.238 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N(CC)CCN1CCCCCC1 ZINC000515419158 375812757 /nfs/dbraw/zinc/81/27/57/375812757.db2.gz VGBXVBDDCHRLBY-INIZCTEOSA-N 0 3 280.456 3.313 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)S[C@H](C)C1 ZINC000524756894 375881489 /nfs/dbraw/zinc/88/14/89/375881489.db2.gz PMGFAWXBSVZLRA-JHJVBQTASA-N 0 3 260.406 3.445 20 30 CGEDHN C=CCN(CCC(C)(C)C(=O)OC)Cc1cccs1 ZINC000526969392 375890688 /nfs/dbraw/zinc/89/06/88/375890688.db2.gz NECZWIYAYMJOFN-UHFFFAOYSA-N 0 3 281.421 3.325 20 30 CGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000533427474 375955738 /nfs/dbraw/zinc/95/57/38/375955738.db2.gz WVAJWVIYSZVEBM-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529715225 375934365 /nfs/dbraw/zinc/93/43/65/375934365.db2.gz YNQPXDDQXCCMNJ-HNNXBMFYSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000337170186 376111875 /nfs/dbraw/zinc/11/18/75/376111875.db2.gz CSUAWXCDKWBCDS-IRXDYDNUSA-N 0 3 286.419 3.150 20 30 CGEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cnc2ccc(C#N)cn12 ZINC000536682659 376122122 /nfs/dbraw/zinc/12/21/22/376122122.db2.gz AQILYSJALLARSP-UKPHBRMFSA-N 0 3 294.402 3.359 20 30 CGEDHN C=CCOc1ccc(CN2C3CCC2CC3)cc1OC ZINC000535779920 376058506 /nfs/dbraw/zinc/05/85/06/376058506.db2.gz WATLQWHPQKVZOH-UHFFFAOYSA-N 0 3 273.376 3.387 20 30 CGEDHN C=CCN(C[C@@H](O)COc1c(C)ccc(C)c1C)C1CC1 ZINC000536742692 376128785 /nfs/dbraw/zinc/12/87/85/376128785.db2.gz WJTZRDROLRXQNR-QGZVFWFLSA-N 0 3 289.419 3.002 20 30 CGEDHN COCC[C@@H](NCc1cc(C#N)ccc1OC)C(C)(C)C ZINC000338366336 376352964 /nfs/dbraw/zinc/35/29/64/376352964.db2.gz XAGUIPPMAJGJLA-MRXNPFEDSA-N 0 3 290.407 3.108 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(C#N)cc1 ZINC000338356336 376346522 /nfs/dbraw/zinc/34/65/22/376346522.db2.gz UTOMHVILICRTIW-GFCCVEGCSA-N 0 3 279.318 3.420 20 30 CGEDHN COc1ccc(CN2CCC[C@@H]3CCC[C@H]32)cc1C#N ZINC000228163824 376430895 /nfs/dbraw/zinc/43/08/95/376430895.db2.gz ZJHCYMIRCLKDRK-GOEBONIOSA-N 0 3 270.376 3.331 20 30 CGEDHN N#CCC1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000541949167 376497125 /nfs/dbraw/zinc/49/71/25/376497125.db2.gz OHKDGYWRFIXCEK-UHFFFAOYSA-N 0 3 264.319 3.133 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncnc3sccc32)CC1 ZINC000264519211 190115835 /nfs/dbraw/zinc/11/58/35/190115835.db2.gz WHEXMXSDLZEMBZ-UHFFFAOYSA-N 0 3 288.420 3.144 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccc(F)cc2F)cc1 ZINC000237772049 376760391 /nfs/dbraw/zinc/76/03/91/376760391.db2.gz CQYLHSOVPBWZNI-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN N#Cc1ccc(CNCC2C3CC4CC(C3)CC2C4)o1 ZINC000237850610 376762374 /nfs/dbraw/zinc/76/23/74/376762374.db2.gz BMBVDQKNBSRKFW-UHFFFAOYSA-N 0 3 270.376 3.313 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](OCC)C2)cc1 ZINC000155489055 542123821 /nfs/dbraw/zinc/12/38/21/542123821.db2.gz YVIHNRDAVLIIFJ-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](OCC)C1 ZINC000155456417 542124192 /nfs/dbraw/zinc/12/41/92/542124192.db2.gz WWJAWIMRABYLIW-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H](OCC)C2)c1 ZINC000155468241 542124214 /nfs/dbraw/zinc/12/42/14/542124214.db2.gz DFXWAXUAXJPVDT-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN CC(C)(C#N)CCCN1CCOC[C@H]1CC1CCC1 ZINC000339773930 376839466 /nfs/dbraw/zinc/83/94/66/376839466.db2.gz YUBWBWWPBGIFDX-OAHLLOKOSA-N 0 3 264.413 3.207 20 30 CGEDHN CCc1ccc([C@H](CNc2cc(C#N)ccn2)N(C)C)cc1 ZINC000339970389 376884925 /nfs/dbraw/zinc/88/49/25/376884925.db2.gz GHJYUTDMJDJOCF-KRWDZBQOSA-N 0 3 294.402 3.230 20 30 CGEDHN N#CCC[C@H](C#N)CNC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000557217343 376926682 /nfs/dbraw/zinc/92/66/82/376926682.db2.gz PNIGVVLDIYIGIJ-NXHRZFHOSA-N 0 3 297.402 3.187 20 30 CGEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000557217341 376927106 /nfs/dbraw/zinc/92/71/06/376927106.db2.gz PNIGVVLDIYIGIJ-NJAFHUGGSA-N 0 3 297.402 3.187 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@H]1CC(=O)c1cccs1 ZINC000246623243 377064263 /nfs/dbraw/zinc/06/42/63/377064263.db2.gz BYMJGNGHLQSENH-KBPBESRZSA-N 0 3 293.432 3.112 20 30 CGEDHN CN(CCNC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000560171219 377128820 /nfs/dbraw/zinc/12/88/20/377128820.db2.gz IVZXIZXPPRVBFV-UHFFFAOYSA-N 0 3 291.398 3.273 20 30 CGEDHN C[C@@H](C1CC1)N(Cc1cccc(C#N)c1F)C1CC1 ZINC000340766485 377248415 /nfs/dbraw/zinc/24/84/15/377248415.db2.gz YVBQVSWIXGEUPP-NSHDSACASA-N 0 3 258.340 3.460 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@@H](CC)c1ccccc1OC ZINC000561955144 377253470 /nfs/dbraw/zinc/25/34/70/377253470.db2.gz JKPBDGZAPPNVEG-HOCLYGCPSA-N 0 3 277.408 3.405 20 30 CGEDHN C=CCOc1cccc(CN2CC(C3CCC3)C2)c1 ZINC000562901614 377371516 /nfs/dbraw/zinc/37/15/16/377371516.db2.gz IDGIJXFECKUPFX-UHFFFAOYSA-N 0 3 257.377 3.483 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000248869596 377416385 /nfs/dbraw/zinc/41/63/85/377416385.db2.gz QLJAPRSOIYEMFO-BYCMXARLSA-N 0 3 278.783 3.045 20 30 CGEDHN COc1cc2c(cc1CNCC(C)(C)CC#N)O[C@@H](C)C2 ZINC000568727667 377523946 /nfs/dbraw/zinc/52/39/46/377523946.db2.gz VZVVMZCFEMFPEX-LBPRGKRZSA-N 0 3 288.391 3.048 20 30 CGEDHN CC(C)O[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000567789698 377509747 /nfs/dbraw/zinc/50/97/47/377509747.db2.gz ASKDTYDXKZRIHG-OAHLLOKOSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CCCCCN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000572333872 377547801 /nfs/dbraw/zinc/54/78/01/377547801.db2.gz KSHNYVYJAOIDSW-PMPSAXMXSA-N 0 3 267.413 3.001 20 30 CGEDHN Cc1cc(C2CCN(Cc3ccc(C#N)s3)CC2)[nH]n1 ZINC000516660057 249240252 /nfs/dbraw/zinc/24/02/52/249240252.db2.gz JJAFSVBQHAJISF-UHFFFAOYSA-N 0 3 286.404 3.031 20 30 CGEDHN N#Cc1ccc(CN(C[C@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000518192703 249277092 /nfs/dbraw/zinc/27/70/92/249277092.db2.gz PONRZNLCRAAATJ-AEFFLSMTSA-N 0 3 284.403 3.074 20 30 CGEDHN CCC(CC)N(CC)Cc1cccc(C(=O)OC)c1C#N ZINC000517258260 249261418 /nfs/dbraw/zinc/26/14/18/249261418.db2.gz YSYXSGAERMJLHG-UHFFFAOYSA-N 0 3 288.391 3.355 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cn(C)nc1CC ZINC000179858926 542203742 /nfs/dbraw/zinc/20/37/42/542203742.db2.gz HLEDVGGREVSFQT-UHFFFAOYSA-N 0 3 283.419 3.213 20 30 CGEDHN C[C@H](CNc1c(F)cc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000252211602 377618940 /nfs/dbraw/zinc/61/89/40/377618940.db2.gz WLZFPUXNKDOYLK-NWDGAFQWSA-N 0 3 293.361 3.369 20 30 CGEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000342764281 377778183 /nfs/dbraw/zinc/77/81/83/377778183.db2.gz HDVSWMKXZYCOJV-UHFFFAOYSA-N 0 3 294.354 3.113 20 30 CGEDHN CC[C@@H](C)N[C@H](CNc1cccc(C#N)n1)c1ccco1 ZINC000343255622 377940954 /nfs/dbraw/zinc/94/09/54/377940954.db2.gz VNJZNPUULAELFI-TZMCWYRMSA-N 0 3 284.363 3.088 20 30 CGEDHN CC[C@H](C)N[C@H](CNc1nccc(C)c1C#N)c1ccco1 ZINC000343269091 377943654 /nfs/dbraw/zinc/94/36/54/377943654.db2.gz HQQPFRQGXSQGGR-DZGCQCFKSA-N 0 3 298.390 3.396 20 30 CGEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccc(C#N)cc1F ZINC000343531174 378009662 /nfs/dbraw/zinc/00/96/62/378009662.db2.gz DKNARCLLHYXHTL-ZDUSSCGKSA-N 0 3 293.345 3.462 20 30 CGEDHN C=CCCN(C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000343447567 377982608 /nfs/dbraw/zinc/98/26/08/377982608.db2.gz TUJFXLIILLJGID-UHFFFAOYSA-N 0 3 263.381 3.490 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCOCC2CC2)c([O-])c1 ZINC000264539082 377988125 /nfs/dbraw/zinc/98/81/25/377988125.db2.gz MBPYIRNNWUALFO-LDADJPATSA-N 0 3 290.407 3.084 20 30 CGEDHN C[C@@H]1c2ccccc2CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000268630025 378083246 /nfs/dbraw/zinc/08/32/46/378083246.db2.gz BLCJEMJXKWKSRM-KUHUBIRLSA-N 0 3 292.382 3.211 20 30 CGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)OCO2 ZINC000343750991 378083349 /nfs/dbraw/zinc/08/33/49/378083349.db2.gz JRXBIOXFTYIHOZ-ZDUSSCGKSA-N 0 3 294.354 3.332 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000343641213 378050610 /nfs/dbraw/zinc/05/06/10/378050610.db2.gz ODOXIKZYEAVHBJ-QGZVFWFLSA-N 0 3 284.334 3.175 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCCC2 ZINC000578281783 378053659 /nfs/dbraw/zinc/05/36/59/378053659.db2.gz HLAZAZSVSKPRIM-ZWKOTPCHSA-N 0 3 283.415 3.366 20 30 CGEDHN C=CCCCCCNCc1cnnn1Cc1ccccc1 ZINC000579024907 378123483 /nfs/dbraw/zinc/12/34/83/378123483.db2.gz UQMYNIYOSUJPEZ-UHFFFAOYSA-N 0 3 284.407 3.162 20 30 CGEDHN C[C@@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579114886 378131230 /nfs/dbraw/zinc/13/12/30/378131230.db2.gz GZBCOQOPCGKFMV-DOMZBBRYSA-N 0 3 287.363 3.477 20 30 CGEDHN CN(C)Cc1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000269445074 378223829 /nfs/dbraw/zinc/22/38/29/378223829.db2.gz USHVBRGFHLWUAZ-UHFFFAOYSA-N 0 3 297.377 3.049 20 30 CGEDHN C[C@@H]1C[C@H](C)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579964438 378213252 /nfs/dbraw/zinc/21/32/52/378213252.db2.gz HGFWOEOAYKIYQO-CHWSQXEVSA-N 0 3 287.363 3.334 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000269410024 378217428 /nfs/dbraw/zinc/21/74/28/378217428.db2.gz JADAUOWXJYFEKZ-AWEZNQCLSA-N 0 3 296.345 3.353 20 30 CGEDHN Cc1cc(CN[C@H]2COc3c(C)cccc3C2)ccc1C#N ZINC000582032672 378280713 /nfs/dbraw/zinc/28/07/13/378280713.db2.gz UIYZTFGBJKUHJC-GOSISDBHSA-N 0 3 292.382 3.268 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000583935148 378360066 /nfs/dbraw/zinc/36/00/66/378360066.db2.gz RWJQEISCQWNIAG-MSOLQXFVSA-N 0 3 297.446 3.465 20 30 CGEDHN C[C@H](C[C@H](O)c1cccs1)NCc1cccc(C#N)c1 ZINC000270618621 378376224 /nfs/dbraw/zinc/37/62/24/378376224.db2.gz FDUOHNSFQSIAAJ-DOMZBBRYSA-N 0 3 286.400 3.222 20 30 CGEDHN CO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1(C)C ZINC000346127662 378472133 /nfs/dbraw/zinc/47/21/33/378472133.db2.gz CSKBWPMRYLJVGN-WKPIXPDZSA-N 0 3 276.355 3.161 20 30 CGEDHN C[C@@H](NC[C@@H](O)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271931788 378521278 /nfs/dbraw/zinc/52/12/78/378521278.db2.gz ILUMZFBLMBNJCH-SJKOYZFVSA-N 0 3 290.382 3.289 20 30 CGEDHN C[C@@H](NC[C@H]1CSCCS1)c1ccc(C#N)c(F)c1 ZINC000271924183 378517730 /nfs/dbraw/zinc/51/77/30/378517730.db2.gz FTHVWWZVRRBDBD-MFKMUULPSA-N 0 3 296.436 3.197 20 30 CGEDHN C=CCN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272224183 378589713 /nfs/dbraw/zinc/58/97/13/378589713.db2.gz LDBHTXPIQHUTAX-CQSZACIVSA-N 0 3 274.412 3.218 20 30 CGEDHN N#Cc1ccc(C2=CCN(CC[C@H]3CCCO3)CC2)cc1 ZINC000346600186 378640964 /nfs/dbraw/zinc/64/09/64/378640964.db2.gz HALUSKWIALZJKF-GOSISDBHSA-N 0 3 282.387 3.216 20 30 CGEDHN C=CCN(CCCC(=O)CC)CCc1ccccc1 ZINC000347730179 378724588 /nfs/dbraw/zinc/72/45/88/378724588.db2.gz FYBJIXYYZCYMPQ-UHFFFAOYSA-N 0 3 259.393 3.476 20 30 CGEDHN COc1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000266173750 190237367 /nfs/dbraw/zinc/23/73/67/190237367.db2.gz DFGDUJCXVYMPMY-ZDUSSCGKSA-N 0 3 296.370 3.426 20 30 CGEDHN C=CCOCCCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000348040161 378763244 /nfs/dbraw/zinc/76/32/44/378763244.db2.gz VRAMIHUBFUCTGH-CYBMUJFWSA-N 0 3 266.410 3.085 20 30 CGEDHN C=CCOCCCN(C)Cc1ccc(F)c(C)c1 ZINC000348184407 378828282 /nfs/dbraw/zinc/82/82/82/378828282.db2.gz WRNGTJLKEGRZRR-UHFFFAOYSA-N 0 3 251.345 3.159 20 30 CGEDHN C[C@@H](NC[C@H]1CCCSC1)c1ccc(C#N)cc1F ZINC000348216644 378844061 /nfs/dbraw/zinc/84/40/61/378844061.db2.gz PEKZQCGLJZITQF-DGCLKSJQSA-N 0 3 278.396 3.491 20 30 CGEDHN C=C(C)CCN[C@H](CO)c1ccc(Br)cc1 ZINC000274856958 378908043 /nfs/dbraw/zinc/90/80/43/378908043.db2.gz SNEWQDCDDMXZOE-CYBMUJFWSA-N 0 3 284.197 3.038 20 30 CGEDHN CC(C)[C@H]1C[C@H](NCc2cccc(C#N)c2)CS1 ZINC000276847805 379006746 /nfs/dbraw/zinc/00/67/46/379006746.db2.gz CRLNKCSETKNWMH-LSDHHAIUSA-N 0 3 260.406 3.178 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](c2nccn2C)C2CC2)C1 ZINC000639308694 379258372 /nfs/dbraw/zinc/25/83/72/379258372.db2.gz HUHSTWSDTAWTOJ-HIFRSBDPSA-N 0 3 259.397 3.159 20 30 CGEDHN Cc1ccc(OC(F)F)c(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000349802721 379392222 /nfs/dbraw/zinc/39/22/22/379392222.db2.gz OLDDWYLDQOFZFG-WCQYABFASA-N 0 3 280.318 3.378 20 30 CGEDHN C=CCCCCCN(CCOC)Cc1cccnc1 ZINC000278335784 379352866 /nfs/dbraw/zinc/35/28/66/379352866.db2.gz BNOZCNXNOGVZCR-UHFFFAOYSA-N 0 3 262.397 3.276 20 30 CGEDHN N#Cc1cccc(OCCN2CC[C@@H](c3ccco3)C2)c1 ZINC000374003814 379359181 /nfs/dbraw/zinc/35/91/81/379359181.db2.gz RZQSUOMCNCSLTD-OAHLLOKOSA-N 0 3 282.343 3.020 20 30 CGEDHN Cc1nn(-c2ccc(F)cc2)cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349851167 379421783 /nfs/dbraw/zinc/42/17/83/379421783.db2.gz NFBUHIFXAXCIOW-CZUORRHYSA-N 0 3 298.365 3.102 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(Cl)cc1-n1cncn1 ZINC000279564185 379460767 /nfs/dbraw/zinc/46/07/67/379460767.db2.gz FLSHLQDOLFSXNU-UHFFFAOYSA-N 0 3 290.798 3.319 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCc2c[nH]nc2C1)c1ccco1 ZINC000375812004 379511694 /nfs/dbraw/zinc/51/16/94/379511694.db2.gz XINGTSPAJRQWKB-KGLIPLIRSA-N 0 3 271.364 3.157 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@H]1C ZINC000639643481 379521903 /nfs/dbraw/zinc/52/19/03/379521903.db2.gz JWFXXSLRDDBHND-DOTOQJQBSA-N 0 3 291.439 3.267 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352176461 379754911 /nfs/dbraw/zinc/75/49/11/379754911.db2.gz PBUQXSJGOYNTII-HNNXBMFYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCCCN(C)Cc1ccc2c(c1)oc(=O)n2C ZINC000351625035 379732162 /nfs/dbraw/zinc/73/21/62/379732162.db2.gz RUHQDVLDSZHOGA-UHFFFAOYSA-N 0 3 288.391 3.310 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000280569770 379736468 /nfs/dbraw/zinc/73/64/68/379736468.db2.gz RVHZDDYYHIGWNP-INIZCTEOSA-N 0 3 276.355 3.088 20 30 CGEDHN C=CCN(CCCCF)Cc1cccc([N+](=O)[O-])c1 ZINC000351855140 379745938 /nfs/dbraw/zinc/74/59/38/379745938.db2.gz HTKWKZONIOSSRF-UHFFFAOYSA-N 0 3 266.316 3.333 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000280819160 379799330 /nfs/dbraw/zinc/79/93/30/379799330.db2.gz NEFYIVKFEYURIF-QRTARXTBSA-N 0 3 275.392 3.414 20 30 CGEDHN C=CCN1CCC(Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000267382577 190325419 /nfs/dbraw/zinc/32/54/19/190325419.db2.gz LQDKMDQPPKBQLR-UHFFFAOYSA-N 0 3 285.313 3.163 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(CC)o1 ZINC000280731767 379775806 /nfs/dbraw/zinc/77/58/06/379775806.db2.gz GXSRPVZUMWRIKR-XEZPLFJOSA-N 0 3 263.381 3.474 20 30 CGEDHN C[C@H]1CC(C)(C)CC[C@H]1NCc1nc(C#N)cs1 ZINC000352811761 379975180 /nfs/dbraw/zinc/97/51/80/379975180.db2.gz UDJPCQMXCOOHNY-CMPLNLGQSA-N 0 3 263.410 3.319 20 30 CGEDHN C=C(C)CN(CCCOCC)Cc1cnn(C(C)C)c1 ZINC000352914848 380035458 /nfs/dbraw/zinc/03/54/58/380035458.db2.gz MTVMKHLEZGMHDO-UHFFFAOYSA-N 0 3 279.428 3.269 20 30 CGEDHN COC(=O)CCC[C@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000352882283 380017842 /nfs/dbraw/zinc/01/78/42/380017842.db2.gz HCFZIKNJALRYFU-KGLIPLIRSA-N 0 3 280.412 3.028 20 30 CGEDHN C=C(C)CN1CCC(NCc2ccc(SC)o2)CC1 ZINC000641718953 380060727 /nfs/dbraw/zinc/06/07/27/380060727.db2.gz GLLYXKJNOAOHCR-UHFFFAOYSA-N 0 3 280.437 3.132 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccccc1N(C)C ZINC000414163415 380194832 /nfs/dbraw/zinc/19/48/32/380194832.db2.gz IOGPBJFSKIYYCO-CYBMUJFWSA-N 0 3 259.397 3.343 20 30 CGEDHN COc1ccc2c(c1F)CC[C@@H]2NCC(C)(C)CC#N ZINC000414169049 380197364 /nfs/dbraw/zinc/19/73/64/380197364.db2.gz RIPSRECTSUPXNV-ZDUSSCGKSA-N 0 3 276.355 3.351 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cnccn1 ZINC000414295534 380207732 /nfs/dbraw/zinc/20/77/32/380207732.db2.gz FKZZOGZJNLHDHH-GDBMZVCRSA-N 0 3 267.376 3.315 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]2Cc2ccccc2)cc1 ZINC000354010423 380276470 /nfs/dbraw/zinc/27/64/70/380276470.db2.gz QCHUBCYEKPZRIS-SFHVURJKSA-N 0 3 262.356 3.375 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cscn1 ZINC000414535165 380304842 /nfs/dbraw/zinc/30/48/42/380304842.db2.gz KXNVSLUHVJNWRR-CQSZACIVSA-N 0 3 258.390 3.420 20 30 CGEDHN C#CCCCCNCc1ncc(C(C)(C)C)s1 ZINC000279067640 194271284 /nfs/dbraw/zinc/27/12/84/194271284.db2.gz FYKHKPCRMOUUNP-UHFFFAOYSA-N 0 3 250.411 3.334 20 30 CGEDHN CC[C@H](CC(F)(F)F)NCc1ccc(C#N)s1 ZINC000354622290 380505305 /nfs/dbraw/zinc/50/53/05/380505305.db2.gz KLDTUGVMAAQLQP-MRVPVSSYSA-N 0 3 262.300 3.440 20 30 CGEDHN C=CCC[C@H](CCC)NCc1ncnn1-c1ccccc1 ZINC000355192679 380616191 /nfs/dbraw/zinc/61/61/91/380616191.db2.gz DFXJIHVYKKXYQP-HNNXBMFYSA-N 0 3 284.407 3.492 20 30 CGEDHN N#Cc1csc(CN[C@@H](CO)CC2CCCCC2)c1 ZINC000418127088 380707910 /nfs/dbraw/zinc/70/79/10/380707910.db2.gz NELHHYHKZDKJBD-CQSZACIVSA-N 0 3 278.421 3.041 20 30 CGEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)CC(C)C ZINC000419230425 380783007 /nfs/dbraw/zinc/78/30/07/380783007.db2.gz PWQINCQTZURTRU-MRXNPFEDSA-N 0 3 272.392 3.198 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1F ZINC000421382305 380927321 /nfs/dbraw/zinc/92/73/21/380927321.db2.gz MNMIYFCTZSNDST-RDJZCZTQSA-N 0 3 270.351 3.318 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CC23CCSCC3)c(F)c1 ZINC000421378061 380917948 /nfs/dbraw/zinc/91/79/48/380917948.db2.gz KBZXZOXNRHPQKW-CQSZACIVSA-N 0 3 290.407 3.320 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357040617 381007051 /nfs/dbraw/zinc/00/70/51/381007051.db2.gz OFVNUJOBBMUMJW-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN COc1cc(CNc2ccnc3ccccc32)ccc1C#N ZINC000357607145 381228422 /nfs/dbraw/zinc/22/84/22/381228422.db2.gz DUSBUCFBXUCSNR-UHFFFAOYSA-N 0 3 289.338 3.149 20 30 CGEDHN C=CCC[C@H](CC)NCc1nnc(C(C)C)s1 ZINC000358265773 381298872 /nfs/dbraw/zinc/29/88/72/381298872.db2.gz KNXHCPQVJYABJN-NSHDSACASA-N 0 3 253.415 3.496 20 30 CGEDHN C=CCC[C@@H](NCc1nnc(C(C)C)s1)C1CC1 ZINC000358296808 381301786 /nfs/dbraw/zinc/30/17/86/381301786.db2.gz KXMPGJKCPHOAIT-GFCCVEGCSA-N 0 3 265.426 3.496 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000357826541 381285461 /nfs/dbraw/zinc/28/54/61/381285461.db2.gz LYRKNJREAPJYBX-GYSYKLTISA-N 0 3 272.348 3.054 20 30 CGEDHN N#Cc1cc(F)ccc1CN(CC1CC1)C1CCC1 ZINC000361585122 381818793 /nfs/dbraw/zinc/81/87/93/381818793.db2.gz HDOHSASKVFTJLS-UHFFFAOYSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCN(CCOC)Cc1cccc(-c2ccncc2)c1 ZINC000361646700 381856405 /nfs/dbraw/zinc/85/64/05/381856405.db2.gz HVZVPGUQCDADBY-UHFFFAOYSA-N 0 3 282.387 3.383 20 30 CGEDHN CC(C)(C#N)CCCCN1CCOCC12CCCC2 ZINC000369319600 382389259 /nfs/dbraw/zinc/38/92/59/382389259.db2.gz PCURNPZAOGEDFE-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN Clc1ccc([C@H]2CCCC2=Nn2cnnc2)cc1 ZINC000741451677 572498922 /nfs/dbraw/zinc/49/89/22/572498922.db2.gz UGZOLXOBMMQJRU-GFCCVEGCSA-N 0 3 260.728 3.103 20 30 CGEDHN COCc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185780465 262070860 /nfs/dbraw/zinc/07/08/60/262070860.db2.gz MGVOSLSZQCQSJE-XJKSGUPXSA-N 0 3 258.365 3.005 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2cc(C#N)cs2)CC1 ZINC000336465871 533026384 /nfs/dbraw/zinc/02/63/84/533026384.db2.gz IOYWDRRCFCJPRA-AWEZNQCLSA-N 0 3 264.394 3.011 20 30 CGEDHN Cn1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000335365899 208284124 /nfs/dbraw/zinc/28/41/24/208284124.db2.gz HNPSYZGQXMYDBR-UHFFFAOYSA-N 0 3 277.371 3.186 20 30 CGEDHN CCCN(Cc1ccc(C#N)o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000353748547 220300825 /nfs/dbraw/zinc/30/08/25/220300825.db2.gz QQZKMCXMMGQVST-ARFHVFGLSA-N 0 3 288.391 3.177 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H]1CCSc2c(F)cccc21 ZINC000341883037 542495232 /nfs/dbraw/zinc/49/52/32/542495232.db2.gz UCBUUGJJIGIVFQ-SMDDNHRTSA-N 0 3 281.396 3.137 20 30 CGEDHN C[C@@H](NCC1(C)CCOCC1)c1ccc(C#N)cc1F ZINC000358557553 533357747 /nfs/dbraw/zinc/35/77/47/533357747.db2.gz BZPRDIPFPHMDCA-GFCCVEGCSA-N 0 3 276.355 3.165 20 30 CGEDHN COC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000344002276 285410202 /nfs/dbraw/zinc/41/02/02/285410202.db2.gz XFCDHYWYTGOMLC-DFBGVHRSSA-N 0 3 278.783 3.309 20 30 CGEDHN C[C@@H](NCCN1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571170 533395250 /nfs/dbraw/zinc/39/52/50/533395250.db2.gz OMVWELWHOIWIEW-UONOGXRCSA-N 0 3 289.398 3.222 20 30 CGEDHN CC#CCN1CCC(n2c3ccccc3nc2CC)CC1 ZINC000093301614 392237822 /nfs/dbraw/zinc/23/78/22/392237822.db2.gz QUJOTLOEKIWWCK-UHFFFAOYSA-N 0 3 281.403 3.259 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC000282039390 392275466 /nfs/dbraw/zinc/27/54/66/392275466.db2.gz QTNHQLIPMDLFON-IRXDYDNUSA-N 0 3 284.403 3.070 20 30 CGEDHN C=CC[C@@H]1N(Cc2ccc(OC)nn2)CCCC1(C)C ZINC000282543402 392292131 /nfs/dbraw/zinc/29/21/31/392292131.db2.gz RPDBVYNQXPJULE-AWEZNQCLSA-N 0 3 275.396 3.052 20 30 CGEDHN C=CCCCN(C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000282824389 392295155 /nfs/dbraw/zinc/29/51/55/392295155.db2.gz PRNQWSNJZSZOCI-UHFFFAOYSA-N 0 3 284.407 3.282 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2ccc(F)cc21 ZINC000453331593 542681196 /nfs/dbraw/zinc/68/11/96/542681196.db2.gz BWAGPJIWMFHGFT-XHSDSOJGSA-N 0 3 261.340 3.136 20 30 CGEDHN COCC[C@@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000372088596 392582381 /nfs/dbraw/zinc/58/23/81/392582381.db2.gz NQKDEXKUBVGDQJ-AWEZNQCLSA-N 0 3 290.382 3.336 20 30 CGEDHN COCC[C@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000372100793 392583390 /nfs/dbraw/zinc/58/33/90/392583390.db2.gz FBBZMNCHQTWFDZ-QGZVFWFLSA-N 0 3 289.394 3.316 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374179505 392670956 /nfs/dbraw/zinc/67/09/56/392670956.db2.gz UCKDDDLNXYSNOR-DEQVHRJGSA-N 0 3 257.805 3.000 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000181290555 392726530 /nfs/dbraw/zinc/72/65/30/392726530.db2.gz RQOCCVMMTABSAD-UHFFFAOYSA-N 0 3 261.365 3.260 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183499900 392755865 /nfs/dbraw/zinc/75/58/65/392755865.db2.gz OWAQBTWLFWAXJE-AWEZNQCLSA-N 0 3 274.408 3.083 20 30 CGEDHN C=CCN(C(=O)[C@@H](CC)N(CC)CC)c1ccccc1 ZINC000647741899 392791998 /nfs/dbraw/zinc/79/19/98/392791998.db2.gz OPSRQLUCEJKNJO-MRXNPFEDSA-N 0 3 274.408 3.326 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000335721648 392811222 /nfs/dbraw/zinc/81/12/22/392811222.db2.gz GOOMJSCSPIQMSI-NSHDSACASA-N 0 3 299.399 3.162 20 30 CGEDHN CC#CCN(C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000519762756 392892113 /nfs/dbraw/zinc/89/21/13/392892113.db2.gz CCYRAMLKSIUWTQ-NSHDSACASA-N 0 3 253.292 3.304 20 30 CGEDHN C=CCOCCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000339002840 392939987 /nfs/dbraw/zinc/93/99/87/392939987.db2.gz LQTYGZTXYCRNHF-GDBMZVCRSA-N 0 3 277.433 3.368 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1ccc(-c2ccncc2)cc1 ZINC000339069980 392945795 /nfs/dbraw/zinc/94/57/95/392945795.db2.gz BWJXLSNFYQPQOD-OAHLLOKOSA-N 0 3 295.386 3.329 20 30 CGEDHN CCN1C[C@H](C)N(CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411723050 392986769 /nfs/dbraw/zinc/98/67/69/392986769.db2.gz RXDACKQUZOJPQX-HOTGVXAUSA-N 0 3 277.456 3.265 20 30 CGEDHN COCC1(C#N)CCN(Cc2ccc(C)cc2C)CC1 ZINC000342844154 393010893 /nfs/dbraw/zinc/01/08/93/393010893.db2.gz SIENROLVVOTWHV-UHFFFAOYSA-N 0 3 272.392 3.056 20 30 CGEDHN COc1ccc(OC)c([C@H](C)NCCC(C)(C)C#N)c1 ZINC000345924518 393072214 /nfs/dbraw/zinc/07/22/14/393072214.db2.gz HDURHMPCXYCQIX-LBPRGKRZSA-N 0 3 276.380 3.294 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC2(CCC2)C1 ZINC000348183205 393116057 /nfs/dbraw/zinc/11/60/57/393116057.db2.gz SVNXYNJOLGWIGT-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCOc1ccc(CN(CC)C[C@H](C)O)cc1Cl ZINC000348713378 393128684 /nfs/dbraw/zinc/12/86/84/393128684.db2.gz KRNVZIQTXWMHBI-LBPRGKRZSA-N 0 3 283.799 3.108 20 30 CGEDHN Cc1ncc(CN[C@H](CCCC#N)c2ccccc2)n1C ZINC000569020822 393195931 /nfs/dbraw/zinc/19/59/31/393195931.db2.gz HJYGCZIRZLSONF-QGZVFWFLSA-N 0 3 282.391 3.253 20 30 CGEDHN CC[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)OC ZINC000353102325 393214279 /nfs/dbraw/zinc/21/42/79/393214279.db2.gz BSSPRWNLJGOIQB-GFCCVEGCSA-N 0 3 286.297 3.092 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CC1CCCC1 ZINC000475044868 393366592 /nfs/dbraw/zinc/36/65/92/393366592.db2.gz CNCVGABWSKWYNX-LJQANCHMSA-N 0 3 298.430 3.487 20 30 CGEDHN Cc1cc(CN(C)CCC(=O)OC(C)(C)C)ccc1C#N ZINC000488217360 393471287 /nfs/dbraw/zinc/47/12/87/393471287.db2.gz NIJQGPVYKKLBPS-UHFFFAOYSA-N 0 3 288.391 3.030 20 30 CGEDHN C[C@@H]1C[C@@H]1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000488316566 393485547 /nfs/dbraw/zinc/48/55/47/393485547.db2.gz GJYVFAZCPNEWAX-MWQQHZPXSA-N 0 3 254.377 3.414 20 30 CGEDHN C=CCOc1ccccc1CN(CC)C[C@@H](C)OC ZINC000361016857 393643036 /nfs/dbraw/zinc/64/30/36/393643036.db2.gz JUYRGHOFHLSQGA-CQSZACIVSA-N 0 3 263.381 3.108 20 30 CGEDHN C=CCOc1ccc(CN(CC)C[C@H](C)OC)cc1 ZINC000361019509 393644078 /nfs/dbraw/zinc/64/40/78/393644078.db2.gz ZYADIBJULJSMOV-AWEZNQCLSA-N 0 3 263.381 3.108 20 30 CGEDHN CCCOCc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442705808 393738688 /nfs/dbraw/zinc/73/86/88/393738688.db2.gz BSHDZMRZFCVEGA-PBHICJAKSA-N 0 3 272.392 3.395 20 30 CGEDHN COc1cc(CN2CC3(CCC3)C[C@@H]2C)ccc1C#N ZINC000443072588 393743019 /nfs/dbraw/zinc/74/30/19/393743019.db2.gz VABJDJGOGVDKHD-ZDUSSCGKSA-N 0 3 270.376 3.331 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000491733425 393698445 /nfs/dbraw/zinc/69/84/45/393698445.db2.gz MWJQXYWEIJAAHS-ZDUSSCGKSA-N 0 3 252.317 3.158 20 30 CGEDHN Cc1cc(CNC[C@@H](C)Oc2ccccc2)ccc1C#N ZINC000443987479 393779157 /nfs/dbraw/zinc/77/91/57/393779157.db2.gz JOUDEUJMZLYWTJ-OAHLLOKOSA-N 0 3 280.371 3.424 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(COC)on1 ZINC000668434671 543012713 /nfs/dbraw/zinc/01/27/13/543012713.db2.gz PWLHHQPPSFNNFS-WFASDCNBSA-N 0 3 264.369 3.046 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000668493567 543020105 /nfs/dbraw/zinc/02/01/05/543020105.db2.gz PBXFLJPVGRBCLL-HNNXBMFYSA-N 0 3 284.407 3.134 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2c(C3CC3)cnn2C)C1 ZINC000668493682 543020655 /nfs/dbraw/zinc/02/06/55/543020655.db2.gz QKBPRGXOZHSLRZ-ZDUSSCGKSA-N 0 3 259.397 3.086 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccnn2CC(C)C)C1 ZINC000668492542 543020857 /nfs/dbraw/zinc/02/08/57/543020857.db2.gz CPIHYJBODCBLGD-OAHLLOKOSA-N 0 3 261.413 3.327 20 30 CGEDHN C=CCOc1ccc(CN2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000668516469 543022575 /nfs/dbraw/zinc/02/25/75/543022575.db2.gz SEXRVLNNZAPYOG-HDICACEKSA-N 0 3 287.403 3.110 20 30 CGEDHN OCC[C@@H]1CCCCCN1CC#Cc1ccc(Cl)cc1 ZINC000671248305 543165025 /nfs/dbraw/zinc/16/50/25/543165025.db2.gz PTTMWGDYXSXYFE-KRWDZBQOSA-N 0 3 291.822 3.319 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCOC1 ZINC000047698638 397634411 /nfs/dbraw/zinc/63/44/11/397634411.db2.gz KRNSSOUGSKFPGB-NSHDSACASA-N 0 3 271.813 3.426 20 30 CGEDHN C=C(C)CN1CCC(N[C@H](C)c2nc(C)sc2C)CC1 ZINC000676490965 543399516 /nfs/dbraw/zinc/39/95/16/543399516.db2.gz VWVKDEWNDLXLIM-GFCCVEGCSA-N 0 3 293.480 3.451 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](CO)CC2CC2)cc1Cl ZINC000677246051 543441463 /nfs/dbraw/zinc/44/14/63/543441463.db2.gz VWOXSSWATXWBMS-CQSZACIVSA-N 0 3 295.810 3.155 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(c2ccc(O)cc2)CC1 ZINC000677479280 543450729 /nfs/dbraw/zinc/45/07/29/543450729.db2.gz LGFSWSTYNNCLGR-CQSZACIVSA-N 0 3 257.377 3.374 20 30 CGEDHN CCC#C[C@H](C)N1CCC(c2ccc(O)cc2)CC1 ZINC000677479279 543450745 /nfs/dbraw/zinc/45/07/45/543450745.db2.gz LGFSWSTYNNCLGR-AWEZNQCLSA-N 0 3 257.377 3.374 20 30 CGEDHN C=CCN(CCc1nc2ccccc2n1C)C(C)C ZINC000736308345 572780709 /nfs/dbraw/zinc/78/07/09/572780709.db2.gz IHBZWCSVQCFHJA-UHFFFAOYSA-N 0 3 257.381 3.012 20 30 CGEDHN CCC(CC)(CC)[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000126359066 287262412 /nfs/dbraw/zinc/26/24/12/287262412.db2.gz ODMJKKYZSYZWDS-UHFFFAOYSA-N 0 3 291.395 3.265 20 30 CGEDHN Cn1cc(CN2CCC=C(c3ccccc3)C2)cc1C#N ZINC000284958041 196163839 /nfs/dbraw/zinc/16/38/39/196163839.db2.gz HVXKXODXQKNDTI-UHFFFAOYSA-N 0 3 277.371 3.186 20 30 CGEDHN CN(CCc1ccccc1)Cc1cc(C#N)cs1 ZINC000126467429 287265586 /nfs/dbraw/zinc/26/55/86/287265586.db2.gz DUFHQHNOUJBYMP-UHFFFAOYSA-N 0 3 256.374 3.294 20 30 CGEDHN C=CCCNCc1cc(Br)ccc1F ZINC000070591852 416491703 /nfs/dbraw/zinc/49/17/03/416491703.db2.gz IQPRQUAENQOADN-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN Cn1cc(C(=O)C(C#N)c2ccccn2)c2ccccc21 ZINC000049456634 416471713 /nfs/dbraw/zinc/47/17/13/416471713.db2.gz VOGJQDJPMRLWKR-CYBMUJFWSA-N 0 3 275.311 3.063 20 30 CGEDHN C=CCOCCN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000679576216 543648023 /nfs/dbraw/zinc/64/80/23/543648023.db2.gz KXMYJNJYQVODBC-INIZCTEOSA-N 0 3 275.392 3.309 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000679674857 543655891 /nfs/dbraw/zinc/65/58/91/543655891.db2.gz USFWAHVBHOQQCC-QGZVFWFLSA-N 0 3 273.420 3.279 20 30 CGEDHN C=C(C)CCN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000681404613 543786662 /nfs/dbraw/zinc/78/66/62/543786662.db2.gz WDLNLFKTIOKAPG-CQSZACIVSA-N 0 3 287.325 3.469 20 30 CGEDHN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(C)C#N ZINC000334781062 225320093 /nfs/dbraw/zinc/32/00/93/225320093.db2.gz NOIUYRLBRLVZFP-KOLCDFICSA-N 0 3 256.305 3.078 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cnc3ccccc3c2)C1 ZINC000334989215 225387870 /nfs/dbraw/zinc/38/78/70/225387870.db2.gz PWIKLSKIZPBFQW-IUODEOHRSA-N 0 3 251.333 3.017 20 30 CGEDHN COc1cccc(OCCN(C)Cc2ccc(C#N)cc2)c1 ZINC000130878716 287365442 /nfs/dbraw/zinc/36/54/42/287365442.db2.gz QOVQHPXOMFLHQW-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN CCC1(CC)[C@@H](NCc2ccc(C#N)s2)C[C@@H]1OC ZINC000131372867 287377532 /nfs/dbraw/zinc/37/75/32/287377532.db2.gz WXFSAEMBUGVXQJ-KBPBESRZSA-N 0 3 278.421 3.303 20 30 CGEDHN C=CCOCCN[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000682733692 543863532 /nfs/dbraw/zinc/86/35/32/543863532.db2.gz FRDBMTKMMXXIQW-MRXNPFEDSA-N 0 3 275.392 3.210 20 30 CGEDHN C=C(C)[C@H](CO)N1CCc2c(cccc2C(C)C)C1 ZINC000682778985 543867938 /nfs/dbraw/zinc/86/79/38/543867938.db2.gz ANBAHXQPLSRNFN-KRWDZBQOSA-N 0 3 259.393 3.105 20 30 CGEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(C)C#N)o1 ZINC000347735236 226233359 /nfs/dbraw/zinc/23/33/59/226233359.db2.gz NYJOWOHSGGJRIN-WZRBSPASSA-N 0 3 260.337 3.047 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000336442978 227018038 /nfs/dbraw/zinc/01/80/38/227018038.db2.gz SHZZWFHODKWQBB-OLZOCXBDSA-N 0 3 274.339 3.081 20 30 CGEDHN C[C@H]1C[C@H](CN(CCC#N)CC(C)(C)C)CCO1 ZINC000352690402 227161691 /nfs/dbraw/zinc/16/16/91/227161691.db2.gz DTMTULJJHPERRF-UONOGXRCSA-N 0 3 252.402 3.063 20 30 CGEDHN C=C[C@H](CO)N[C@H](CC)CSc1ccc(Cl)cc1 ZINC000658332940 418939643 /nfs/dbraw/zinc/93/96/43/418939643.db2.gz JELAHMNDNKHDAR-CHWSQXEVSA-N 0 3 285.840 3.347 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(CN)c1 ZINC000659017527 418957202 /nfs/dbraw/zinc/95/72/02/418957202.db2.gz FTBXWZNNLMTWDV-GOEBONIOSA-N 0 3 287.407 3.402 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](CC)c1ccccc1F ZINC000653792757 419087001 /nfs/dbraw/zinc/08/70/01/419087001.db2.gz WNSCXORDYIAIEP-SWLSCSKDSA-N 0 3 251.345 3.194 20 30 CGEDHN CC[C@@H](NCC#Cc1ccc(F)cc1)[C@H]1CCCCO1 ZINC000653875791 419102181 /nfs/dbraw/zinc/10/21/81/419102181.db2.gz ZVRRMMBDEJGZJA-IAGOWNOFSA-N 0 3 275.367 3.115 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@@H](C)[C@H]2CCC)nn1 ZINC000653582191 419053298 /nfs/dbraw/zinc/05/32/98/419053298.db2.gz BCDCQRQOIAURDR-GDBMZVCRSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@H]2C(C)C)nn1 ZINC000653615335 419060534 /nfs/dbraw/zinc/06/05/34/419060534.db2.gz CPRPECQXZGQCBY-JKSUJKDBSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@H](N)C(C)C)nn1 ZINC000656457953 419173320 /nfs/dbraw/zinc/17/33/20/419173320.db2.gz UJJJEDYFECRQGI-NVXWUHKLSA-N 0 3 284.407 3.294 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@H](N)CCC)nn1 ZINC000656457026 419173740 /nfs/dbraw/zinc/17/37/40/419173740.db2.gz CQCSOLGRVSTHHG-HZPDHXFCSA-N 0 3 284.407 3.438 20 30 CGEDHN C=CCN(Cc1cc(F)ccc1C)[C@@H](C)COC ZINC000661238953 419243275 /nfs/dbraw/zinc/24/32/75/419243275.db2.gz AQKWWODLKKDJIV-ZDUSSCGKSA-N 0 3 251.345 3.157 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000661379848 419255425 /nfs/dbraw/zinc/25/54/25/419255425.db2.gz IYLSBGQWLRGNTI-CRAIPNDOSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cn(C)nc2C(F)F)C1 ZINC000661384985 419255464 /nfs/dbraw/zinc/25/54/64/419255464.db2.gz MPPGFRDKVXHVCD-NSHDSACASA-N 0 3 269.339 3.146 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(F)ccc1OC(F)F ZINC000657363836 419260079 /nfs/dbraw/zinc/26/00/79/419260079.db2.gz PXCLUFJMCUKGDZ-SECBINFHSA-N 0 3 259.271 3.481 20 30 CGEDHN C=CCCn1cc(CNC[C@H](C)c2cccc(C)c2)nn1 ZINC000657374495 419263331 /nfs/dbraw/zinc/26/33/31/419263331.db2.gz NSLJGUAQZSOVNB-HNNXBMFYSA-N 0 3 284.407 3.056 20 30 CGEDHN C=CCCn1cc(CNCCCCC2CCCC2)nn1 ZINC000657380362 419265366 /nfs/dbraw/zinc/26/53/66/419265366.db2.gz JHSDWFCEDWYTAO-UHFFFAOYSA-N 0 3 276.428 3.304 20 30 CGEDHN C=CCCn1cc(CNCC2CCC(C)(C)CC2)nn1 ZINC000657420425 419274344 /nfs/dbraw/zinc/27/43/44/419274344.db2.gz XGOHVFZSFLPNJU-UHFFFAOYSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCOCCNCc1cc2cccc(CC)c2o1 ZINC000657429139 419276496 /nfs/dbraw/zinc/27/64/96/419276496.db2.gz DZNHUQDUBHLWMV-UHFFFAOYSA-N 0 3 259.349 3.287 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@@H](C)[C@H]2C)nn1 ZINC000657454315 419282638 /nfs/dbraw/zinc/28/26/38/419282638.db2.gz KMQYHQTXBCMNQL-KFWWJZLASA-N 0 3 276.428 3.016 20 30 CGEDHN C=CCN(CC(=O)N([C@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000661756273 419295239 /nfs/dbraw/zinc/29/52/39/419295239.db2.gz IKVGLXUVGTXWJS-CYBMUJFWSA-N 0 3 278.440 3.062 20 30 CGEDHN C=CCC1(NCc2nc(-c3ccccn3)no2)CCCC1 ZINC000661847615 419304687 /nfs/dbraw/zinc/30/46/87/419304687.db2.gz AYBCOGQHXHULPB-UHFFFAOYSA-N 0 3 284.363 3.110 20 30 CGEDHN C=CCC1(NCC(=O)Nc2c(F)cccc2F)CCCC1 ZINC000661862991 419307363 /nfs/dbraw/zinc/30/73/63/419307363.db2.gz LZUKWGGDAKWGTM-UHFFFAOYSA-N 0 3 294.345 3.382 20 30 CGEDHN C=CCOCCCNCc1cccc2c1OC(C)(C)C2 ZINC000657658091 419320576 /nfs/dbraw/zinc/32/05/76/419320576.db2.gz LYPXMNCOKUULFQ-UHFFFAOYSA-N 0 3 275.392 3.082 20 30 CGEDHN C=CCCC[C@H](C)N1CCOc2ccc(O)cc2C1 ZINC000662095824 419335460 /nfs/dbraw/zinc/33/54/60/419335460.db2.gz IJYJGAKGAIISLS-ZDUSSCGKSA-N 0 3 261.365 3.331 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000336052334 228182716 /nfs/dbraw/zinc/18/27/16/228182716.db2.gz DUZJLJYSSNQQOF-KOLCDFICSA-N 0 3 252.720 3.261 20 30 CGEDHN C=CCCC1(CNC(=O)[C@@H](N)[C@@H](C)CC)CCCC1 ZINC000662620944 419468028 /nfs/dbraw/zinc/46/80/28/419468028.db2.gz RIHYRTGFABYQIC-KBPBESRZSA-N 0 3 266.429 3.003 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000662629962 419468795 /nfs/dbraw/zinc/46/87/95/419468795.db2.gz GCPMQZDKWQKCOU-BFYDXBDKSA-N 0 3 286.419 3.137 20 30 CGEDHN C=CCOCCCN[C@H](c1ccc(OC)cc1F)C1CC1 ZINC000658206085 419657691 /nfs/dbraw/zinc/65/76/91/419657691.db2.gz LZJGTEGBBKAARX-KRWDZBQOSA-N 0 3 293.382 3.468 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000448316503 261109239 /nfs/dbraw/zinc/10/92/39/261109239.db2.gz VXAIBSWGAGECFM-SFHVURJKSA-N 0 3 298.430 3.242 20 30 CGEDHN C=CCCC[C@@H](C)NCc1c(Br)cnn1C ZINC000336749582 262040255 /nfs/dbraw/zinc/04/02/55/262040255.db2.gz UFGMWNOJXKVTMO-SNVBAGLBSA-N 0 3 286.217 3.017 20 30 CGEDHN CCOc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185781125 262070679 /nfs/dbraw/zinc/07/06/79/262070679.db2.gz DQTRQYCOUOSEGA-UKRRQHHQSA-N 0 3 258.365 3.257 20 30 CGEDHN CC(C)Oc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000185782480 262070751 /nfs/dbraw/zinc/07/07/51/262070751.db2.gz JPHQWBPAFUMMQU-DZGCQCFKSA-N 0 3 273.380 3.041 20 30 CGEDHN C=CCOc1ccccc1CNCCc1cscn1 ZINC000108942174 262074959 /nfs/dbraw/zinc/07/49/59/262074959.db2.gz UMJADHWRBGMAMF-UHFFFAOYSA-N 0 3 274.389 3.040 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCC2(F)F)c(F)c1 ZINC000390862473 262355656 /nfs/dbraw/zinc/35/56/56/262355656.db2.gz KWIFFQOMDIYSGB-LBPRGKRZSA-N 0 3 268.282 3.222 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1cccc(-n2cccn2)c1 ZINC000272025057 263001570 /nfs/dbraw/zinc/00/15/70/263001570.db2.gz NRCHIAFOGOOGCZ-CQSZACIVSA-N 0 3 282.391 3.463 20 30 CGEDHN CC(C)(C)OC(=O)c1cccc(CNCCCC#N)c1 ZINC000273007731 263010791 /nfs/dbraw/zinc/01/07/91/263010791.db2.gz BJCVEPLIJCHFGV-UHFFFAOYSA-N 0 3 274.364 3.035 20 30 CGEDHN C=CCOc1ccc(CNCCCC#N)cc1Cl ZINC000273058113 263011783 /nfs/dbraw/zinc/01/17/83/263011783.db2.gz LWIYPIJSRLNGIL-UHFFFAOYSA-N 0 3 264.756 3.298 20 30 CGEDHN N#CCCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000273309232 263015080 /nfs/dbraw/zinc/01/50/80/263015080.db2.gz WFAVGMINXUGPGJ-ZDUSSCGKSA-N 0 3 284.281 3.466 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000274173401 263021623 /nfs/dbraw/zinc/02/16/23/263021623.db2.gz CIRTUQOTTOPFAL-RWMBFGLXSA-N 0 3 273.336 3.328 20 30 CGEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000274247861 263022407 /nfs/dbraw/zinc/02/24/07/263022407.db2.gz YAGBYRRSPVDNID-LZWOXQAQSA-N 0 3 270.376 3.409 20 30 CGEDHN N#CCN1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000275394644 263033184 /nfs/dbraw/zinc/03/31/84/263033184.db2.gz AQXYZBRZDNDJKT-UHFFFAOYSA-N 0 3 297.446 3.102 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2Cn2ccnc2)C1 ZINC000278159352 263045690 /nfs/dbraw/zinc/04/56/90/263045690.db2.gz BGOFIAJVJSBANY-CRAIPNDOSA-N 0 3 294.402 3.103 20 30 CGEDHN COc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H](C#N)C1)CCO2 ZINC000278665392 263049717 /nfs/dbraw/zinc/04/97/17/263049717.db2.gz IZMNDFVSGKUQBW-XEZPLFJOSA-N 0 3 286.375 3.191 20 30 CGEDHN CC[C@@H](C)CN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280315285 263060212 /nfs/dbraw/zinc/06/02/12/263060212.db2.gz GIMNZSWMAWTGCA-PBHICJAKSA-N 0 3 297.402 3.135 20 30 CGEDHN COCc1ccc([C@@H]2CCCN2[C@H]2CC[C@@H](C#N)C2)o1 ZINC000280996175 263065615 /nfs/dbraw/zinc/06/56/15/263065615.db2.gz MFLQZJHVYSORSO-IPYPFGDCSA-N 0 3 274.364 3.255 20 30 CGEDHN CC(C)(C#N)CCCN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340192931 263087507 /nfs/dbraw/zinc/08/75/07/263087507.db2.gz UODAVKLPXZEFRT-NWDGAFQWSA-N 0 3 292.345 3.094 20 30 CGEDHN CN1CCN(CC(C)(C)CCC#N)C[C@H]1Cc1ccccc1 ZINC000285090608 263089959 /nfs/dbraw/zinc/08/99/59/263089959.db2.gz MSAPEFZHTFUVLS-GOSISDBHSA-N 0 3 299.462 3.175 20 30 CGEDHN COc1cc([C@H](C)NCC2CCC(C#N)CC2)c(F)cn1 ZINC000286859582 263099926 /nfs/dbraw/zinc/09/99/26/263099926.db2.gz AZEAQBREKYFMIL-HIFPTAJRSA-N 0 3 291.370 3.210 20 30 CGEDHN Cc1cc(CN2CCC(C)(C#N)CC2)cc(C)c1O ZINC000290318116 263116088 /nfs/dbraw/zinc/11/60/88/263116088.db2.gz JHJUQNLRQOCTBC-UHFFFAOYSA-N 0 3 258.365 3.135 20 30 CGEDHN CCCN(CCOCCC#N)[C@H](C)c1ccccc1OC ZINC000293608258 263144185 /nfs/dbraw/zinc/14/41/85/263144185.db2.gz VLLRMHBDRHSDOS-OAHLLOKOSA-N 0 3 290.407 3.398 20 30 CGEDHN C=C(CNCc1cnc2c(c1)c(C)nn2C)c1ccccc1 ZINC000340434680 263145292 /nfs/dbraw/zinc/14/52/92/263145292.db2.gz KVQOVHXUFDCAGN-UHFFFAOYSA-N 0 3 292.386 3.080 20 30 CGEDHN CC(C)(C)[C@@H](NCCOCCC#N)c1cccc(F)c1 ZINC000294722414 263166877 /nfs/dbraw/zinc/16/68/77/263166877.db2.gz VSQHGRBKFONYTM-HNNXBMFYSA-N 0 3 278.371 3.433 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(F)(c2ccccn2)CC1 ZINC000298021080 263214111 /nfs/dbraw/zinc/21/41/11/263214111.db2.gz BDNGAUDVOKGZGM-ZDUSSCGKSA-N 0 3 261.344 3.034 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000298031797 263214202 /nfs/dbraw/zinc/21/42/02/263214202.db2.gz CFZMDYCARHIFIJ-UHIISALHSA-N 0 3 264.394 3.032 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Cl)cn1 ZINC000453361132 263248753 /nfs/dbraw/zinc/24/87/53/263248753.db2.gz QJXYERIWVWZRCV-HONMWMINSA-N 0 3 266.772 3.119 20 30 CGEDHN C=C(C)CNCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000119661444 263275806 /nfs/dbraw/zinc/27/58/06/263275806.db2.gz CBDBVPDJGLRWDF-UHFFFAOYSA-N 0 3 298.386 3.335 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(F)cc1C(F)(F)F ZINC000341275499 263329963 /nfs/dbraw/zinc/32/99/63/263329963.db2.gz PJQJFHLLCYJEFN-JTQLQIEISA-N 0 3 291.288 3.119 20 30 CGEDHN N#CCc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000341953457 263371136 /nfs/dbraw/zinc/37/11/36/263371136.db2.gz QFTAVCSPUGUCTP-UHFFFAOYSA-N 0 3 287.366 3.403 20 30 CGEDHN C=CCOc1cccc(CNCCSC(C)C)c1 ZINC000342071200 263385164 /nfs/dbraw/zinc/38/51/64/263385164.db2.gz KSQLLTWFSVOEEY-UHFFFAOYSA-N 0 3 265.422 3.483 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000076801873 264344041 /nfs/dbraw/zinc/34/40/41/264344041.db2.gz ZFTRXKCGMOKVRB-CABCVRRESA-N 0 3 274.408 3.150 20 30 CGEDHN CC(C)[C@H]1CN(C)CCN1CCC1(C#N)CCCCC1 ZINC000425483574 264358959 /nfs/dbraw/zinc/35/89/59/264358959.db2.gz RKROFRZYQSMDNP-MRXNPFEDSA-N 0 3 277.456 3.123 20 30 CGEDHN C=CCN1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000334508527 264387096 /nfs/dbraw/zinc/38/70/96/264387096.db2.gz LJEGMYPBUHJODH-HNNXBMFYSA-N 0 3 290.794 3.274 20 30 CGEDHN C=CCC[C@H](O)CNC1(c2nc(C)cs2)CCCC1 ZINC000132475102 264388387 /nfs/dbraw/zinc/38/83/87/264388387.db2.gz QNJDEDIDAFMNAX-ZDUSSCGKSA-N 0 3 280.437 3.138 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@H]2c2ccccn2)cc1 ZINC000530963076 269989218 /nfs/dbraw/zinc/98/92/18/269989218.db2.gz DBLMQZRJNYWENH-SFHVURJKSA-N 0 3 293.370 3.169 20 30 CGEDHN C=C(C)CCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280884616 264450658 /nfs/dbraw/zinc/45/06/58/264450658.db2.gz POBVAFXGUHAYPX-GDBMZVCRSA-N 0 3 295.448 3.025 20 30 CGEDHN C=CCC(F)(F)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000293399009 264953213 /nfs/dbraw/zinc/95/32/13/264953213.db2.gz JOXAFPXCLFKSIO-UHFFFAOYSA-N 0 3 282.334 3.207 20 30 CGEDHN COc1ccc(CN2CCC(C(C)C)CC2)cc1C#N ZINC000228060151 270087525 /nfs/dbraw/zinc/08/75/25/270087525.db2.gz DWFNPQVVVBBSMI-UHFFFAOYSA-N 0 3 272.392 3.435 20 30 CGEDHN C=CCCC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357884015 266382065 /nfs/dbraw/zinc/38/20/65/266382065.db2.gz YPVGWOGXEMWZFA-RHSMWYFYSA-N 0 3 274.408 3.069 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358314586 266453125 /nfs/dbraw/zinc/45/31/25/266453125.db2.gz FQBZGCIXEKUWDO-NEPJUHHUSA-N 0 3 273.380 3.196 20 30 CGEDHN C=CCCCCCN1CCN(Cc2ccco2)CC1 ZINC000362951900 267066234 /nfs/dbraw/zinc/06/62/34/267066234.db2.gz OIRYQOSYXIBGMU-UHFFFAOYSA-N 0 3 262.397 3.144 20 30 CGEDHN C=CCCCCCN1CCC(Oc2cnccn2)CC1 ZINC000369629100 267256342 /nfs/dbraw/zinc/25/63/42/267256342.db2.gz LROCBPLVIJXMSH-UHFFFAOYSA-N 0 3 275.396 3.066 20 30 CGEDHN CCCCCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000119126290 267302439 /nfs/dbraw/zinc/30/24/39/267302439.db2.gz KVUYRFLARRVQMN-HZPDHXFCSA-N 0 3 280.456 3.290 20 30 CGEDHN N#CCSCCCN1CCOC2(C1)CCCCCC2 ZINC000119568266 267344719 /nfs/dbraw/zinc/34/47/19/267344719.db2.gz MYNSNMACNDBPFM-UHFFFAOYSA-N 0 3 282.453 3.058 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000120111771 267382508 /nfs/dbraw/zinc/38/25/08/267382508.db2.gz NGNITJBJWDXNFO-ZNMIVQPWSA-N 0 3 266.429 3.062 20 30 CGEDHN Cc1cc(OCc2ccc3c(c2)CNCC3)ccc1C#N ZINC000520412278 268013637 /nfs/dbraw/zinc/01/36/37/268013637.db2.gz RPILFHRJOCBRDZ-UHFFFAOYSA-N 0 3 278.355 3.091 20 30 CGEDHN C#CCCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000179658664 273477473 /nfs/dbraw/zinc/47/74/73/273477473.db2.gz VBOCCTAIBAHIIQ-GOSISDBHSA-N 0 3 298.430 3.133 20 30 CGEDHN C[C@@H](N[C@@H]1COc2ccccc2C1)c1ccc(C#N)cc1 ZINC000181622251 274259767 /nfs/dbraw/zinc/25/97/67/274259767.db2.gz CCDHDQCBAPHALJ-DYVFJYSZSA-N 0 3 278.355 3.213 20 30 CGEDHN C=C(C)CN1CCC2(CC1)OCCc1ccccc12 ZINC000334562334 275417920 /nfs/dbraw/zinc/41/79/20/275417920.db2.gz LAIBYAPZKAUAPW-UHFFFAOYSA-N 0 3 257.377 3.127 20 30 CGEDHN CC1(C#N)CCC(N[C@@H]2COc3ccc(F)cc32)CC1 ZINC000336219148 275804474 /nfs/dbraw/zinc/80/44/74/275804474.db2.gz DMDWQYGHACJEOS-CXOJTPOUSA-N 0 3 274.339 3.321 20 30 CGEDHN CC1(C)C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000334926504 275862381 /nfs/dbraw/zinc/86/23/81/275862381.db2.gz SWBAWNCJLICRHN-ZBFHGGJFSA-N 0 3 270.376 3.093 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)c(C)c1)CC(C)C ZINC000418091531 277280654 /nfs/dbraw/zinc/28/06/54/277280654.db2.gz GQALMYVPJANTJK-MRXNPFEDSA-N 0 3 260.381 3.017 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(F)cc1Cl ZINC000186711253 277888792 /nfs/dbraw/zinc/88/87/92/277888792.db2.gz JBINWADUWNEMTM-MWLCHTKSSA-N 0 3 257.736 3.067 20 30 CGEDHN C[C@@H](F)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000339489697 278302654 /nfs/dbraw/zinc/30/26/54/278302654.db2.gz IEVLRTXSCXAWKZ-SECBINFHSA-N 0 3 274.261 3.415 20 30 CGEDHN C[C@@]1(CNCc2ccc(C#N)o2)C[C@H]1c1ccccc1 ZINC000339451776 279161539 /nfs/dbraw/zinc/16/15/39/279161539.db2.gz WRHHAZMQSNMWLR-IRXDYDNUSA-N 0 3 266.344 3.435 20 30 CGEDHN CC1(C)CCC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331167072 281035120 /nfs/dbraw/zinc/03/51/20/281035120.db2.gz MXZMPTWFWXBKSV-KBPBESRZSA-N 0 3 271.364 3.303 20 30 CGEDHN COc1cc(CNCC(C)(C)C(F)(F)F)ccc1C#N ZINC000548859080 289025858 /nfs/dbraw/zinc/02/58/58/289025858.db2.gz LINKGQQQTBZENM-UHFFFAOYSA-N 0 3 286.297 3.245 20 30 CGEDHN C[C@H](C1CCCCC1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000554838772 289312759 /nfs/dbraw/zinc/31/27/59/289312759.db2.gz DFYYHSXCHOGSOL-CQSZACIVSA-N 0 3 299.418 3.397 20 30 CGEDHN C=C(C)[C@@H](NC1CC(OC)C1)c1ccc(F)c(F)c1 ZINC000361153554 328915189 /nfs/dbraw/zinc/91/51/89/328915189.db2.gz MYIPNAQOSFTCAI-KOHJWAIASA-N 0 3 267.319 3.349 20 30 CGEDHN C[C@@H](CNC[C@H](C)C#N)c1cccc(Br)c1 ZINC000183837818 327766300 /nfs/dbraw/zinc/76/63/00/327766300.db2.gz VOACQDMBRFMACO-MNOVXSKESA-N 0 3 281.197 3.302 20 30 CGEDHN N#CCCCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192074412 327875540 /nfs/dbraw/zinc/87/55/40/327875540.db2.gz GFYCJPPIAQPFKN-KBPBESRZSA-N 0 3 282.746 3.202 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@H](Oc2ccccc2)C1 ZINC000411267102 328081459 /nfs/dbraw/zinc/08/14/59/328081459.db2.gz KQWJHRFWTBXJAV-ZBFHGGJFSA-N 0 3 258.365 3.222 20 30 CGEDHN Cc1cc(CNCc2ccc(CC#N)cc2)cc(C)c1O ZINC000571285585 328097712 /nfs/dbraw/zinc/09/77/12/328097712.db2.gz DCEDEEYJZCRDFO-UHFFFAOYSA-N 0 3 280.371 3.365 20 30 CGEDHN CCn1nccc1C1CCN(CCC(C)(C)C#N)CC1 ZINC000278798447 328230429 /nfs/dbraw/zinc/23/04/29/328230429.db2.gz FNPWWIYNUFTJOG-UHFFFAOYSA-N 0 3 274.412 3.022 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)[C@]1(C)CCCO1 ZINC000340240040 328250151 /nfs/dbraw/zinc/25/01/51/328250151.db2.gz QQUKDYHTNMVVMJ-YOEHRIQHSA-N 0 3 275.392 3.299 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000452592663 328259875 /nfs/dbraw/zinc/25/98/75/328259875.db2.gz QYAOPUHAYXDBOC-AMIZOPFISA-N 0 3 280.730 3.206 20 30 CGEDHN N#CCCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000293165055 328274501 /nfs/dbraw/zinc/27/45/01/328274501.db2.gz VAULMXNKASVECD-CQSZACIVSA-N 0 3 264.756 3.097 20 30 CGEDHN C[C@H](NCCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000293852979 328278148 /nfs/dbraw/zinc/27/81/48/328278148.db2.gz RJKIWCUWANWNEI-NSHDSACASA-N 0 3 286.297 3.286 20 30 CGEDHN N#CCCOCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000294588043 328281880 /nfs/dbraw/zinc/28/18/80/328281880.db2.gz MWXZNZSKXRARSM-UHFFFAOYSA-N 0 3 294.345 3.254 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000340533847 328289831 /nfs/dbraw/zinc/28/98/31/328289831.db2.gz PTDHSXNMSGQANS-CQSZACIVSA-N 0 3 256.349 3.053 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC000565400529 322076067 /nfs/dbraw/zinc/07/60/67/322076067.db2.gz JSRAMCAIHKBRCS-HNNXBMFYSA-N 0 3 281.334 3.082 20 30 CGEDHN CC(C)C[C@@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000567415759 322162507 /nfs/dbraw/zinc/16/25/07/322162507.db2.gz PYDCHLGWTTWWMW-CQSZACIVSA-N 0 3 289.398 3.254 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(Cc2ccco2)CC1 ZINC000340735521 328399771 /nfs/dbraw/zinc/39/97/71/328399771.db2.gz AUHDYOQCBDSLPB-HNNXBMFYSA-N 0 3 262.397 3.142 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)CCc1ccc(Cl)s1 ZINC000381047705 327086685 /nfs/dbraw/zinc/08/66/85/327086685.db2.gz FYLJZKVABBJBCX-ZJUUUORDSA-N 0 3 256.802 3.472 20 30 CGEDHN COc1ccc2c(c1)CCCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000559070809 327139978 /nfs/dbraw/zinc/13/99/78/327139978.db2.gz GCQFWECGYUOFPJ-CZUORRHYSA-N 0 3 270.376 3.136 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)C2)nc1 ZINC000584299589 327229580 /nfs/dbraw/zinc/22/95/80/327229580.db2.gz OKBDZNWDPNMFSL-QGZVFWFLSA-N 0 3 277.371 3.333 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)CCCC#N)C1(CC)CC ZINC000177405806 329184110 /nfs/dbraw/zinc/18/41/10/329184110.db2.gz BYQZMIACNQVEIT-UONOGXRCSA-N 0 3 252.402 3.206 20 30 CGEDHN C=C(C)[C@H](N[C@H](C)COC)c1ccc(F)c(F)c1 ZINC000186452907 329342827 /nfs/dbraw/zinc/34/28/27/329342827.db2.gz JYSGJUZKYZKOGM-YGRLFVJLSA-N 0 3 255.308 3.207 20 30 CGEDHN C=CC[C@@H](C)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418360680 329344935 /nfs/dbraw/zinc/34/49/35/329344935.db2.gz SUNQATSINQMQSK-CJNGLKHVSA-N 0 3 289.423 3.074 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(C3CCCC3)CC2)CCC1 ZINC000187911107 329361312 /nfs/dbraw/zinc/36/13/12/329361312.db2.gz QWALFXBNENJPBQ-UHFFFAOYSA-N 0 3 290.451 3.210 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cccc(Cl)c1Cl ZINC000321505294 329366834 /nfs/dbraw/zinc/36/68/34/329366834.db2.gz VJVXXAPGJHQZHG-NSHDSACASA-N 0 3 274.191 3.410 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cnc2ccsc2c1 ZINC000321527395 329370383 /nfs/dbraw/zinc/37/03/83/329370383.db2.gz YDTQFSGIQYIDNI-WCQYABFASA-N 0 3 276.405 3.274 20 30 CGEDHN CC#CCCNCc1ccc(OC(F)(F)F)cc1 ZINC000158355536 329853821 /nfs/dbraw/zinc/85/38/21/329853821.db2.gz FOGRNOAWSFHOHT-UHFFFAOYSA-N 0 3 257.255 3.088 20 30 CGEDHN C=CCN(CCN1CCCCC1)Cc1cccs1 ZINC000248027224 329887214 /nfs/dbraw/zinc/88/72/14/329887214.db2.gz WKTMEHDNAAIERH-UHFFFAOYSA-N 0 3 264.438 3.222 20 30 CGEDHN C=CCCCCCN(C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000273008546 330088469 /nfs/dbraw/zinc/08/84/69/330088469.db2.gz RZNQLJKMXKVJJP-HNNXBMFYSA-N 0 3 293.455 3.025 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421848597 330095474 /nfs/dbraw/zinc/09/54/74/330095474.db2.gz AQAYPZRWPCAFOS-AAEUAGOBSA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000274770134 330107488 /nfs/dbraw/zinc/10/74/88/330107488.db2.gz HCVMAYHNKZAQKI-MRXNPFEDSA-N 0 3 275.392 3.339 20 30 CGEDHN C=C(C)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000274770134 330107490 /nfs/dbraw/zinc/10/74/90/330107490.db2.gz HCVMAYHNKZAQKI-MRXNPFEDSA-N 0 3 275.392 3.339 20 30 CGEDHN C[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433113512 330148666 /nfs/dbraw/zinc/14/86/66/330148666.db2.gz CRASHEOBIKMYHS-ZBFHGGJFSA-N 0 3 270.376 3.160 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H]1CCc2c1c(F)ccc2F ZINC000424111244 330239620 /nfs/dbraw/zinc/23/96/20/330239620.db2.gz AARVUYKYYOAICK-VQISRLSMSA-N 0 3 279.330 3.133 20 30 CGEDHN CCCn1ccc2cc(NC(=O)[C@@H](N)CCCC#N)ccc21 ZINC000424163116 330307879 /nfs/dbraw/zinc/30/78/79/330307879.db2.gz XNBLHCRTIROWID-HNNXBMFYSA-N 0 3 298.390 3.011 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CC[C@H](CCC(C)C)C2)nn1 ZINC000424166382 330309304 /nfs/dbraw/zinc/30/93/04/330309304.db2.gz AXDWOTNVZXDSMO-LSDHHAIUSA-N 0 3 276.428 3.159 20 30 CGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000424178306 330318185 /nfs/dbraw/zinc/31/81/85/330318185.db2.gz WLHLEZTVOPRTDX-IRXDYDNUSA-N 0 3 299.418 3.055 20 30 CGEDHN N#CCCCOc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424209063 330328167 /nfs/dbraw/zinc/32/81/67/330328167.db2.gz YZNXSAFJWLPRMU-GOEBONIOSA-N 0 3 283.375 3.151 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000106035177 330331195 /nfs/dbraw/zinc/33/11/95/330331195.db2.gz VQSPFFRNGJEBJX-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2CC)CC1 ZINC000106341195 330335667 /nfs/dbraw/zinc/33/56/67/330335667.db2.gz JYYOJABEJYVMLI-MRXNPFEDSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCn1cc(CN[C@@H](C)[C@H](C)C2CCCCC2)nn1 ZINC000424296497 330336054 /nfs/dbraw/zinc/33/60/54/330336054.db2.gz OTTUYMMORMVEHF-KBPBESRZSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000533286452 330355954 /nfs/dbraw/zinc/35/59/54/330355954.db2.gz WZRFRQSWKRBPRJ-UHFFFAOYSA-N 0 3 285.391 3.030 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)C1CCC(CO)CC1 ZINC000089924219 330388976 /nfs/dbraw/zinc/38/89/76/330388976.db2.gz LMHAEUPWDVXJNB-UHFFFAOYSA-N 0 3 291.822 3.174 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2sccc21 ZINC000090450865 330392502 /nfs/dbraw/zinc/39/25/02/330392502.db2.gz GISGPQJQYPLSCF-CYBMUJFWSA-N 0 3 251.395 3.308 20 30 CGEDHN COC[C@@H](N[C@H](CCC#N)c1ccccc1)C1CC1 ZINC000090664716 330394614 /nfs/dbraw/zinc/39/46/14/330394614.db2.gz FASGDVFRHPEBTB-HZPDHXFCSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CC1CCN(Cc2cccc(OCCOC)c2)CC1 ZINC000093359179 330419616 /nfs/dbraw/zinc/41/96/16/330419616.db2.gz OSUMXUXASYKEKV-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN C[C@@H](N[C@@H](C)CCC#N)c1cnn(Cc2ccccc2)c1 ZINC000428468015 330526013 /nfs/dbraw/zinc/52/60/13/330526013.db2.gz CFYXBDLZVVIFCL-LSDHHAIUSA-N 0 3 282.391 3.274 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC000448921775 330888439 /nfs/dbraw/zinc/88/84/39/330888439.db2.gz OIUXJUAOJMSIOC-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(CNCc1cc(C(=O)OCC)c(C)[nH]1)c1ccccc1 ZINC000449104416 330899358 /nfs/dbraw/zinc/89/93/58/330899358.db2.gz VTSSWAWEWYNHCZ-UHFFFAOYSA-N 0 3 298.386 3.303 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000449518436 330933212 /nfs/dbraw/zinc/93/32/12/330933212.db2.gz JVLBHDKQYOAUPZ-OLZOCXBDSA-N 0 3 272.175 3.427 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)c(OC)c1 ZINC000451676929 331038627 /nfs/dbraw/zinc/03/86/27/331038627.db2.gz AYWZPHJBULBSBP-KGLIPLIRSA-N 0 3 281.783 3.172 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@]3(CCOC3)C2)cc1 ZINC000451907407 331047024 /nfs/dbraw/zinc/04/70/24/331047024.db2.gz VANRKLHUMMGDNJ-KRWDZBQOSA-N 0 3 289.806 3.194 20 30 CGEDHN COC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000452081385 331053233 /nfs/dbraw/zinc/05/32/33/331053233.db2.gz JTEPXBBAKVTKQM-INIZCTEOSA-N 0 3 291.822 3.440 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)CCCC1 ZINC000452165654 331056852 /nfs/dbraw/zinc/05/68/52/331056852.db2.gz QKEQSWFJKXZOAD-OAHLLOKOSA-N 0 3 290.451 3.066 20 30 CGEDHN C[C@H](Cc1cnccn1)N[C@@H](CCC#N)c1ccccc1 ZINC000453163265 331095887 /nfs/dbraw/zinc/09/58/87/331095887.db2.gz CVJNTYSVJCOUFA-PBHICJAKSA-N 0 3 280.375 3.042 20 30 CGEDHN C=CC(C)(C)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453308332 331114401 /nfs/dbraw/zinc/11/44/01/331114401.db2.gz NIXPOJADDJWIFA-NSHDSACASA-N 0 3 299.411 3.092 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453344222 331119784 /nfs/dbraw/zinc/11/97/84/331119784.db2.gz FIKCGLJZFUWWKJ-JOQOYGCGSA-N 0 3 297.402 3.081 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(SC)c(OC)c1 ZINC000453349868 331120552 /nfs/dbraw/zinc/12/05/52/331120552.db2.gz ISKLTWQTRCLFOJ-BNOWGMLFSA-N 0 3 293.432 3.411 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)cc1Cl ZINC000453372793 331124330 /nfs/dbraw/zinc/12/43/30/331124330.db2.gz VQQNCBRIJUUFES-FZQKWOKYSA-N 0 3 269.747 3.473 20 30 CGEDHN CC(C)[C@@H]1C[C@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000456298154 331189448 /nfs/dbraw/zinc/18/94/48/331189448.db2.gz MBVKPEXTVBZOJG-ULQDDVLXSA-N 0 3 284.403 3.167 20 30 CGEDHN CC(C)[C@@H]1C[C@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000456298152 331189489 /nfs/dbraw/zinc/18/94/89/331189489.db2.gz MBVKPEXTVBZOJG-IKGGRYGDSA-N 0 3 284.403 3.167 20 30 CGEDHN COCC1(C#N)CCN([C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000459463899 331282873 /nfs/dbraw/zinc/28/28/73/331282873.db2.gz VXNSQMJZLISKNT-OAHLLOKOSA-N 0 3 298.430 3.488 20 30 CGEDHN COCC1(C#N)CCN([C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000459463896 331282890 /nfs/dbraw/zinc/28/28/90/331282890.db2.gz VXNSQMJZLISKNT-HNNXBMFYSA-N 0 3 298.430 3.488 20 30 CGEDHN CCN1C[C@H](C)N(CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000459490621 331284783 /nfs/dbraw/zinc/28/47/83/331284783.db2.gz YKWMCNVIHBOFMC-GJZGRUSLSA-N 0 3 290.838 3.106 20 30 CGEDHN C[C@H](CCCc1cccnc1)NCC#Cc1ccccc1 ZINC000459633360 331291358 /nfs/dbraw/zinc/29/13/58/331291358.db2.gz GIAIAWYVMUBVDQ-QGZVFWFLSA-N 0 3 278.399 3.434 20 30 CGEDHN C=CCCCC[C@H](C)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459668060 331293229 /nfs/dbraw/zinc/29/32/29/331293229.db2.gz DTRLBGUYJXWBOW-LBPRGKRZSA-N 0 3 264.417 3.327 20 30 CGEDHN C=CCCCC[C@H](C)NCc1nnc(C(C)(C)C)[nH]1 ZINC000459668060 331293230 /nfs/dbraw/zinc/29/32/30/331293230.db2.gz DTRLBGUYJXWBOW-LBPRGKRZSA-N 0 3 264.417 3.327 20 30 CGEDHN Cc1ncc(CNC2CCC(C#N)(c3ccccc3)CC2)o1 ZINC000459680950 331294083 /nfs/dbraw/zinc/29/40/83/331294083.db2.gz WTBFXEKQUKIGDV-UHFFFAOYSA-N 0 3 295.386 3.477 20 30 CGEDHN CSc1ccc(CNCC(C)(C)CC#N)s1 ZINC000459730390 331296399 /nfs/dbraw/zinc/29/63/99/331296399.db2.gz LWWDIHJQTOKALU-UHFFFAOYSA-N 0 3 254.424 3.499 20 30 CGEDHN N#CCCCOc1cccc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459768888 331299706 /nfs/dbraw/zinc/29/97/06/331299706.db2.gz QWVZQGCGHQAUNA-HOCLYGCPSA-N 0 3 288.416 3.059 20 30 CGEDHN CC#CCCNCc1ccc(Br)s1 ZINC000165109195 331305816 /nfs/dbraw/zinc/30/58/16/331305816.db2.gz BAHPIAWMZIYYFC-UHFFFAOYSA-N 0 3 258.184 3.014 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000465094275 331378055 /nfs/dbraw/zinc/37/80/55/331378055.db2.gz MAXRKOZUVWRJGD-CYBMUJFWSA-N 0 3 288.366 3.299 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCC1(F)CCC1 ZINC000488706652 332022067 /nfs/dbraw/zinc/02/20/67/332022067.db2.gz BDPDHVQGZJWAKP-OAHLLOKOSA-N 0 3 288.366 3.157 20 30 CGEDHN C=CCCCCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000488972803 332036164 /nfs/dbraw/zinc/03/61/64/332036164.db2.gz FBZOJEPFCPRJOQ-SOUVJXGZSA-N 0 3 265.397 3.006 20 30 CGEDHN C=C[C@@H]1CCCCN1CCOCCOc1ccccc1 ZINC000489432609 332051884 /nfs/dbraw/zinc/05/18/84/332051884.db2.gz STEWVOQZJKJWHG-MRXNPFEDSA-N 0 3 275.392 3.123 20 30 CGEDHN C=C[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000489471182 332054606 /nfs/dbraw/zinc/05/46/06/332054606.db2.gz GOABTADAOMRSJO-AWEZNQCLSA-N 0 3 260.337 3.178 20 30 CGEDHN C=C[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000489476316 332054912 /nfs/dbraw/zinc/05/49/12/332054912.db2.gz MTBDBZLIJWNGDR-CYBMUJFWSA-N 0 3 276.336 3.014 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cc(F)cc2cccnc21 ZINC000491210807 332167418 /nfs/dbraw/zinc/16/74/18/332167418.db2.gz ZBEPELDUVSFEPA-UHFFFAOYSA-N 0 3 256.324 3.218 20 30 CGEDHN C=CCCCCCN(CC)CC(=O)N1CCCCCC1 ZINC000513220549 333009441 /nfs/dbraw/zinc/00/94/41/333009441.db2.gz ZSXYFEVTIQKYAN-UHFFFAOYSA-N 0 3 280.456 3.457 20 30 CGEDHN C=CCN(CC[C@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000188916187 333176127 /nfs/dbraw/zinc/17/61/27/333176127.db2.gz KAAMVZYUIDAEPD-MRXNPFEDSA-N 0 3 290.363 3.152 20 30 CGEDHN C=CCCCCCN1CCN(C2CCCC2)CC1 ZINC000193305914 333247556 /nfs/dbraw/zinc/24/75/56/333247556.db2.gz ZOQSXNUEEVZDKA-UHFFFAOYSA-N 0 3 250.430 3.293 20 30 CGEDHN N#CCCC1CCN(CCOCC2CCCC2)CC1 ZINC000575920222 335130929 /nfs/dbraw/zinc/13/09/29/335130929.db2.gz QJIQIMUHBXYGKD-UHFFFAOYSA-N 0 3 264.413 3.209 20 30 CGEDHN CC(C)c1ccc(CCCNC(=O)C(C)C#N)cc1 ZINC000522976786 333302722 /nfs/dbraw/zinc/30/27/22/333302722.db2.gz JBKSJIJRUFJXPO-CYBMUJFWSA-N 0 3 258.365 3.018 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CSC2(C)C)cc1 ZINC000338475812 335136650 /nfs/dbraw/zinc/13/66/50/335136650.db2.gz XWUHJCCDDJESSZ-AWEZNQCLSA-N 0 3 263.406 3.235 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1CCCCN1CC ZINC000524801337 333388713 /nfs/dbraw/zinc/38/87/13/333388713.db2.gz WMLLLTWGSNJJHF-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN C=C(C)COCCNCc1ccc(C(F)(F)F)cc1 ZINC000125805243 333574221 /nfs/dbraw/zinc/57/42/21/333574221.db2.gz NRFQYAFRNRVZGU-UHFFFAOYSA-N 0 3 273.298 3.388 20 30 CGEDHN CC(=O)Nc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000174429131 335154298 /nfs/dbraw/zinc/15/42/98/335154298.db2.gz KENVXLYXAQMNOG-CYBMUJFWSA-N 0 3 293.370 3.367 20 30 CGEDHN C[C@@H]1C[C@@H]1c1ccc(CNCCOc2ccc(C#N)cc2)o1 ZINC000174561894 335158927 /nfs/dbraw/zinc/15/89/27/335158927.db2.gz SCTYCYNDFMGKAC-DYVFJYSZSA-N 0 3 296.370 3.443 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(F)cc1F ZINC000576182722 335166257 /nfs/dbraw/zinc/16/62/57/335166257.db2.gz GRVRJLISNWDXKI-IUODEOHRSA-N 0 3 267.319 3.036 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000133815897 334059705 /nfs/dbraw/zinc/05/97/05/334059705.db2.gz ITIORXJZQQIHCR-KBPBESRZSA-N 0 3 295.427 3.058 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@](CO)(CCC)C2)cc1 ZINC000564330921 334118014 /nfs/dbraw/zinc/11/80/14/334118014.db2.gz UEUCMTNKFVTDEO-SFHVURJKSA-N 0 3 289.419 3.236 20 30 CGEDHN C=CCOCCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000549468694 334195040 /nfs/dbraw/zinc/19/50/40/334195040.db2.gz PAHJIUMAOPPRJH-UHFFFAOYSA-N 0 3 287.403 3.377 20 30 CGEDHN COc1ccc([C@H](CCC#N)NC[C@](C)(O)C(C)C)cc1 ZINC000577575523 335371743 /nfs/dbraw/zinc/37/17/43/335371743.db2.gz GZYBOYCVXPSEOZ-IRXDYDNUSA-N 0 3 290.407 3.037 20 30 CGEDHN Cc1cccc(O[C@@H](C)CNCc2cc(C#N)cs2)c1 ZINC000177706697 335380248 /nfs/dbraw/zinc/38/02/48/335380248.db2.gz WDSZTEUSPGIGRY-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN C[C@H](CNCc1cc(C#N)cs1)Oc1ccccc1F ZINC000177707288 335380415 /nfs/dbraw/zinc/38/04/15/335380415.db2.gz DARYOGCJGAFXQD-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN C[C@@H](Cc1ccc(Br)cc1)NCC1(C#N)CC1 ZINC000579067292 335705242 /nfs/dbraw/zinc/70/52/42/335705242.db2.gz VBEIKOKWKATEPO-NSHDSACASA-N 0 3 293.208 3.273 20 30 CGEDHN CCc1cc(CCCN2CCC(CCC#N)CC2)on1 ZINC000579118961 335712025 /nfs/dbraw/zinc/71/20/25/335712025.db2.gz MJETWPHVXOGYNS-UHFFFAOYSA-N 0 3 275.396 3.185 20 30 CGEDHN N#Cc1ccc(CN(CCOCC(F)(F)F)C2CC2)cc1 ZINC000194957846 336041231 /nfs/dbraw/zinc/04/12/31/336041231.db2.gz YESFEZSCSXGZQS-UHFFFAOYSA-N 0 3 298.308 3.102 20 30 CGEDHN CCN1CCC[C@@H]1CNc1cccc(C(F)F)c1C#N ZINC000581835064 336150008 /nfs/dbraw/zinc/15/00/08/336150008.db2.gz KZXNAIBFPHKTNF-LLVKDONJSA-N 0 3 279.334 3.392 20 30 CGEDHN C=CCCCCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000581953208 336178535 /nfs/dbraw/zinc/17/85/35/336178535.db2.gz IJXVCYRSPVKRNX-GDBMZVCRSA-N 0 3 274.408 3.185 20 30 CGEDHN COc1cc(CN[C@@H]2C[C@H]2Cc2ccccc2)ccc1C#N ZINC000440824069 533901607 /nfs/dbraw/zinc/90/16/07/533901607.db2.gz GNBUMBUCFCHWDA-QZTJIDSGSA-N 0 3 292.382 3.288 20 30 CGEDHN COc1cc(CN[C@H]2C[C@H]2Cc2ccccc2)ccc1C#N ZINC000440824068 533908025 /nfs/dbraw/zinc/90/80/25/533908025.db2.gz GNBUMBUCFCHWDA-MSOLQXFVSA-N 0 3 292.382 3.288 20 30 CGEDHN CC(C#N)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000354969049 534282889 /nfs/dbraw/zinc/28/28/89/534282889.db2.gz CJDLMOPXXQOBPF-CHWSQXEVSA-N 0 3 270.376 3.117 20 30 CGEDHN Cc1noc(C)c1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358566681 534350913 /nfs/dbraw/zinc/35/09/13/534350913.db2.gz BLCUSDYZQHKXOA-SNVBAGLBSA-N 0 3 287.338 3.196 20 30 CGEDHN C=C(C)CCN1CCN(Cc2ccccc2C)CC1 ZINC000352091265 526446165 /nfs/dbraw/zinc/44/61/65/526446165.db2.gz HZINAQYEUQONLR-UHFFFAOYSA-N 0 3 258.409 3.079 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](c1cc(F)ccc1F)C(C)C ZINC000479400607 527082360 /nfs/dbraw/zinc/08/23/60/527082360.db2.gz AQJRERLBPNKSCN-MLGOLLRUSA-N 0 3 283.362 3.436 20 30 CGEDHN C#CCOc1ccc(CNCc2cccc(N(C)C)c2)cc1 ZINC000113335440 527105541 /nfs/dbraw/zinc/10/55/41/527105541.db2.gz CNMFLPZOFXQGOE-UHFFFAOYSA-N 0 3 294.398 3.054 20 30 CGEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccnc(N)c1 ZINC000411208777 527945640 /nfs/dbraw/zinc/94/56/40/527945640.db2.gz QVUPSOGCGSTCOA-UHFFFAOYSA-N 0 3 294.402 3.024 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)C(C)(C)C ZINC000512659091 536512301 /nfs/dbraw/zinc/51/23/01/536512301.db2.gz CTTKGRRYDVJNRX-NHYWBVRUSA-N 0 3 278.371 3.409 20 30 CGEDHN CC(C)c1nn(-c2ccccc2)cc1CNCCCC#N ZINC000344329530 528387675 /nfs/dbraw/zinc/38/76/75/528387675.db2.gz SPOONRHDVVOZDQ-UHFFFAOYSA-N 0 3 282.391 3.389 20 30 CGEDHN CCOC1CC(CN(CCC#N)CCC(C)C)C1 ZINC000352029781 528496681 /nfs/dbraw/zinc/49/66/81/528496681.db2.gz SENDOQKOSZTNDR-UHFFFAOYSA-N 0 3 252.402 3.063 20 30 CGEDHN CC(C)N1CCCC[C@H]1CSc1ccc(C#N)cn1 ZINC000412989157 529004157 /nfs/dbraw/zinc/00/41/57/529004157.db2.gz MQKDKGHOQVMLON-AWEZNQCLSA-N 0 3 275.421 3.308 20 30 CGEDHN CN(Cn1ccc(-c2ccc(C#N)cc2)n1)CC(C)(C)C ZINC000738090329 571780419 /nfs/dbraw/zinc/78/04/19/571780419.db2.gz OTEMRQPBPBVDLN-UHFFFAOYSA-N 0 3 282.391 3.357 20 30 CGEDHN N#Cc1ccc(-c2ccn(CN3CCC[C@H]3C3CC3)n2)cc1 ZINC000728559836 571812093 /nfs/dbraw/zinc/81/20/93/571812093.db2.gz LGTGXEVFWQMSRE-SFHVURJKSA-N 0 3 292.386 3.254 20 30 CGEDHN CCCCCCCCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000740874649 572462689 /nfs/dbraw/zinc/46/26/89/572462689.db2.gz YBRSDWCZGQWVPW-OAHLLOKOSA-N 0 3 266.429 3.090 20 30 CGEDHN CCCCCCCCN(CC(N)=O)C1CCCC1 ZINC000740875040 572464038 /nfs/dbraw/zinc/46/40/38/572464038.db2.gz ZXYKGKAEOXUYAF-UHFFFAOYSA-N 0 3 254.418 3.077 20 30 CGEDHN C#CCSCCNCc1cc2cc(F)ccc2o1 ZINC000742372386 572569298 /nfs/dbraw/zinc/56/92/98/572569298.db2.gz YUBATIZZVXKBCX-UHFFFAOYSA-N 0 3 263.337 3.028 20 30 CGEDHN COc1ccc(CNCCOc2ccc(C#N)cc2)cc1C ZINC000742377176 572570456 /nfs/dbraw/zinc/57/04/56/572570456.db2.gz IZQYGCGCCDAOAJ-UHFFFAOYSA-N 0 3 296.370 3.044 20 30 CGEDHN CCC(CC)NN=C(C)c1cccc(OCCN(C)C)c1 ZINC000734364951 572649124 /nfs/dbraw/zinc/64/91/24/572649124.db2.gz MVGNMQCHJDDZED-UHFFFAOYSA-N 0 3 291.439 3.129 20 30 CGEDHN Cc1nc(C=NNc2cccc(F)c2F)c2ccccn12 ZINC000743442865 572661726 /nfs/dbraw/zinc/66/17/26/572661726.db2.gz KEWSXDXAAHCQDE-UHFFFAOYSA-N 0 3 286.285 3.367 20 30 CGEDHN C=CCCO[C@@H](C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000743443504 572661892 /nfs/dbraw/zinc/66/18/92/572661892.db2.gz UTPLGADDSKFDBC-DZGCQCFKSA-N 0 3 294.354 3.392 20 30 CGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000735208723 572708820 /nfs/dbraw/zinc/70/88/20/572708820.db2.gz NRTDIKGWHLGZFN-ZFDPJTLLSA-N 0 3 290.750 3.344 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@H]3CCCO3)nc21 ZINC000735787919 572740561 /nfs/dbraw/zinc/74/05/61/572740561.db2.gz AIJQWOIVZMVAJE-OLZOCXBDSA-N 0 3 297.358 3.007 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@H]3CCCO3)[nH]c21 ZINC000735787919 572740563 /nfs/dbraw/zinc/74/05/63/572740563.db2.gz AIJQWOIVZMVAJE-OLZOCXBDSA-N 0 3 297.358 3.007 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOCC(C)C)nc21 ZINC000735791039 572741294 /nfs/dbraw/zinc/74/12/94/572741294.db2.gz TXPXCYIFKUPROK-CYBMUJFWSA-N 0 3 299.374 3.110 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCc3ccco3)nc21 ZINC000735792775 572742293 /nfs/dbraw/zinc/74/22/93/572742293.db2.gz NMOIBBLQAAVYHC-ZDUSSCGKSA-N 0 3 293.326 3.273 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCc3ccco3)[nH]c21 ZINC000735792775 572742297 /nfs/dbraw/zinc/74/22/97/572742297.db2.gz NMOIBBLQAAVYHC-ZDUSSCGKSA-N 0 3 293.326 3.273 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)CCOC ZINC000352902849 572814628 /nfs/dbraw/zinc/81/46/28/572814628.db2.gz ORTWYFUGBCHETO-OAHLLOKOSA-N 0 3 279.428 3.267 20 30 CGEDHN C#CCN(CC)Cc1ccc(Cl)c2cccnc12 ZINC000746457023 572871636 /nfs/dbraw/zinc/87/16/36/572871636.db2.gz UUXDMEPAMACLAC-UHFFFAOYSA-N 0 3 258.752 3.343 20 30 CGEDHN C[C@@H]1CCCN(CCNc2nc3ccccc3cc2C#N)C1 ZINC000750016118 573074068 /nfs/dbraw/zinc/07/40/68/573074068.db2.gz JMKHAOUMDLVTIC-CQSZACIVSA-N 0 3 294.402 3.250 20 30 CGEDHN C=CCC[C@H](CCC)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819734759 606997871 /nfs/dbraw/zinc/99/78/71/606997871.db2.gz SJOBVWXVEJFXLZ-HNNXBMFYSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCC[C@H](CCC)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819734759 606997873 /nfs/dbraw/zinc/99/78/73/606997873.db2.gz SJOBVWXVEJFXLZ-HNNXBMFYSA-N 0 3 285.395 3.091 20 30 CGEDHN C=C(CC)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823878121 608310020 /nfs/dbraw/zinc/31/00/20/608310020.db2.gz PRZQZIYRIGHYEC-UHFFFAOYSA-N 0 3 285.395 3.043 20 30 CGEDHN C=C(CC)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823878121 608310018 /nfs/dbraw/zinc/31/00/18/608310018.db2.gz PRZQZIYRIGHYEC-UHFFFAOYSA-N 0 3 285.395 3.043 20 30 CGEDHN C=C(CC)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823878121 608310013 /nfs/dbraw/zinc/31/00/13/608310013.db2.gz PRZQZIYRIGHYEC-UHFFFAOYSA-N 0 3 285.395 3.043 20 30 CGEDHN C=C(CC)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823878121 608310015 /nfs/dbraw/zinc/31/00/15/608310015.db2.gz PRZQZIYRIGHYEC-UHFFFAOYSA-N 0 3 285.395 3.043 20 30 CGEDHN C=C(Br)CNCCc1ccc(Cl)cc1 ZINC000042396413 620829115 /nfs/dbraw/zinc/82/91/15/620829115.db2.gz DKCSCRAMFXAPBA-UHFFFAOYSA-N 0 3 274.589 3.381 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000981595077 613307720 /nfs/dbraw/zinc/30/77/20/613307720.db2.gz GBODHMRDKCWZQA-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190794 613331997 /nfs/dbraw/zinc/33/19/97/613331997.db2.gz MHRMSKYOYYRZPA-RDJZCZTQSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975027039 613341537 /nfs/dbraw/zinc/34/15/37/613341537.db2.gz NOQIZAWNLWFYRI-CABCVRRESA-N 0 3 292.467 3.215 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCN(CC(CC)CC)CC1 ZINC000950050753 613502434 /nfs/dbraw/zinc/50/24/34/613502434.db2.gz ADZQMZICSLVIBS-QGZVFWFLSA-N 0 3 280.456 3.169 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2CN(CC(=C)C)CC2(C)C)cc1 ZINC000975060690 613515748 /nfs/dbraw/zinc/51/57/48/613515748.db2.gz AIEHPZARHHTVPU-KRWDZBQOSA-N 0 3 298.430 3.346 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000971914015 613627363 /nfs/dbraw/zinc/62/73/63/613627363.db2.gz CUJBLLBQRNBDGN-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC000968916539 613683430 /nfs/dbraw/zinc/68/34/30/613683430.db2.gz CLIJVXUTLBSKQF-UPTPFMHGSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC000969127236 613684627 /nfs/dbraw/zinc/68/46/27/613684627.db2.gz SRHPTLUBGNGEBV-QGZVFWFLSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C[C@H]1C ZINC000948072641 613756863 /nfs/dbraw/zinc/75/68/63/613756863.db2.gz AOUKIJRANMPEJF-ZIAGYGMSSA-N 0 3 290.407 3.172 20 30 CGEDHN Cc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000035230255 617628346 /nfs/dbraw/zinc/62/83/46/617628346.db2.gz AFYYLTWIYGIPNS-UHFFFAOYSA-N 0 3 266.344 3.187 20 30 CGEDHN CCCCOCC/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000254999268 617721530 /nfs/dbraw/zinc/72/15/30/617721530.db2.gz LUSAWECLAXSPRQ-JXAWBTAJSA-N 0 3 292.423 3.474 20 30 CGEDHN Cc1csc(C[C@H]2CCN(Cc3cccc(C#N)c3)C2)n1 ZINC000933128815 618159328 /nfs/dbraw/zinc/15/93/28/618159328.db2.gz XGGNLHFHPCWDLE-MRXNPFEDSA-N 0 3 297.427 3.388 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001022130043 618232223 /nfs/dbraw/zinc/23/22/23/618232223.db2.gz XIDZJEIBBWITED-SOUVJXGZSA-N 0 3 296.842 3.112 20 30 CGEDHN Cc1cnc(CCN(C)Cc2cc(C#N)cs2)c(C)c1 ZINC000933769894 618321392 /nfs/dbraw/zinc/32/13/92/618321392.db2.gz CJXWCZBFGZTCMQ-UHFFFAOYSA-N 0 3 285.416 3.306 20 30 CGEDHN CO[C@H]1CC[C@@H]1N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000934110280 618469066 /nfs/dbraw/zinc/46/90/66/618469066.db2.gz XUBVWHJAMUIHQW-KBPBESRZSA-N 0 3 298.308 3.186 20 30 CGEDHN C=CC[C@H]1CCN1Cc1ccc(-c2ccccn2)nc1 ZINC000934461574 618624659 /nfs/dbraw/zinc/62/46/59/618624659.db2.gz YUGTXRQRYPDMIL-HNNXBMFYSA-N 0 3 265.360 3.294 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(F)cc1C(F)(F)F ZINC000229899397 618870011 /nfs/dbraw/zinc/87/00/11/618870011.db2.gz AFHJMLICRCYFGY-LLVKDONJSA-N 0 3 259.246 3.346 20 30 CGEDHN C#C[C@H](NCc1cccc(OC(F)(F)F)c1)C(C)C ZINC000311281590 618902572 /nfs/dbraw/zinc/90/25/72/618902572.db2.gz CDQYFUUWYGYCAK-ZDUSSCGKSA-N 0 3 271.282 3.333 20 30 CGEDHN COc1ccc2nccc(N3CCC(CC#N)CC3)c2c1 ZINC000893118485 618999145 /nfs/dbraw/zinc/99/91/45/618999145.db2.gz GUIBEOVFPOQUBF-UHFFFAOYSA-N 0 3 281.359 3.373 20 30 CGEDHN C#C[C@H](NCc1ccc(OC(F)F)c(OCC)c1)C(C)C ZINC000313324093 619168381 /nfs/dbraw/zinc/16/83/81/619168381.db2.gz YEMBLPYJHXYLGR-ZDUSSCGKSA-N 0 3 297.345 3.434 20 30 CGEDHN Cc1ccc([C@H](O)[C@@H](C)NCC#Cc2ccccc2)cc1 ZINC000894411683 619524987 /nfs/dbraw/zinc/52/49/87/619524987.db2.gz FTACTEBVRZSZBR-VQIMIIECSA-N 0 3 279.383 3.058 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCOC2(CCCCC2)C1 ZINC000894469592 619546850 /nfs/dbraw/zinc/54/68/50/619546850.db2.gz NHHZFRUCSQDBHH-KGLIPLIRSA-N 0 3 250.386 3.150 20 30 CGEDHN C=CCC(C)(C)CNCc1cn(Cc2ccccc2)nn1 ZINC000894606116 619585771 /nfs/dbraw/zinc/58/57/71/619585771.db2.gz FSTMETZUGVIZGO-UHFFFAOYSA-N 0 3 284.407 3.018 20 30 CGEDHN C#C[C@H](C)NCc1cc2ccnc(Cl)c2s1 ZINC000894737738 619617507 /nfs/dbraw/zinc/61/75/07/619617507.db2.gz GHWDLFSUZSPTJX-QMMMGPOBSA-N 0 3 250.754 3.061 20 30 CGEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)c2c(n1)CCCC2 ZINC000895314131 619803797 /nfs/dbraw/zinc/80/37/97/619803797.db2.gz QOSRGYZXJYCFFH-OAHLLOKOSA-N 0 3 283.419 3.395 20 30 CGEDHN C=CCCCN(CC)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000896009374 619928774 /nfs/dbraw/zinc/92/87/74/619928774.db2.gz AVMWKJBMYINYOQ-INIZCTEOSA-N 0 3 293.455 3.001 20 30 CGEDHN C=C1CCC(CNCc2cn(Cc3ccccc3)nn2)CC1 ZINC000896838819 620074423 /nfs/dbraw/zinc/07/44/23/620074423.db2.gz PCMKVQPGPXIYPE-UHFFFAOYSA-N 0 3 296.418 3.162 20 30 CGEDHN CCC[C@@H](C/[NH+]=C\c1ccc(N(CC)CC)cc1[O-])OC ZINC000840705790 620076428 /nfs/dbraw/zinc/07/64/28/620076428.db2.gz FSRICZFWQDGHGA-JIHKLPAASA-N 0 3 292.423 3.472 20 30 CGEDHN CC[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)CC1 ZINC000897630436 620414151 /nfs/dbraw/zinc/41/41/51/620414151.db2.gz YPDKPUOWDZAVRS-VXGBXAGGSA-N 0 3 263.410 3.463 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(CC)CCCCC2)CC1 ZINC000989719773 620522191 /nfs/dbraw/zinc/52/21/91/620522191.db2.gz LFLGECICAFPBNE-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN Cc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)cc1C#N ZINC000926959685 620555151 /nfs/dbraw/zinc/55/51/51/620555151.db2.gz BVXRKPKYPCAYBB-KRWDZBQOSA-N 0 3 282.391 3.087 20 30 CGEDHN Cc1ccccc1O[C@H](C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902822348 621456895 /nfs/dbraw/zinc/45/68/95/621456895.db2.gz VXYYGRLLTPNTOA-CABCVRRESA-N 0 3 295.386 3.380 20 30 CGEDHN C#CCSCCN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902870102 621474765 /nfs/dbraw/zinc/47/47/65/621474765.db2.gz BSOXKKHIXRWPDB-SNVBAGLBSA-N 0 3 288.338 3.117 20 30 CGEDHN CC[C@H](N[C@H](C)c1cn[nH]c1)c1cccc(C#N)c1 ZINC000902888614 621485896 /nfs/dbraw/zinc/48/58/96/621485896.db2.gz UPNGJOKQGRYDST-ABAIWWIYSA-N 0 3 254.337 3.083 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903007813 621531108 /nfs/dbraw/zinc/53/11/08/621531108.db2.gz IMXOYRLRJPZCFL-WQAKAFBOSA-N 0 3 286.297 3.095 20 30 CGEDHN N#CC1(CNC2CC(OCc3ccccc3)C2)CCC1 ZINC000903032238 621535522 /nfs/dbraw/zinc/53/55/22/621535522.db2.gz HCSASYWAGKACGW-UHFFFAOYSA-N 0 3 270.376 3.018 20 30 CGEDHN C=CCC[C@H](NCC1(C#N)CCCC1)[C@@H]1CCCO1 ZINC000903109933 621584172 /nfs/dbraw/zinc/58/41/72/621584172.db2.gz XMKJYHOMZCKMLZ-GJZGRUSLSA-N 0 3 262.397 3.174 20 30 CGEDHN COc1cc([C@H](C)NCC(C)(C)CC#N)cc([N+](=O)[O-])c1 ZINC000903186130 621626928 /nfs/dbraw/zinc/62/69/28/621626928.db2.gz NQWWOHGCAIOWSU-NSHDSACASA-N 0 3 291.351 3.194 20 30 CGEDHN C[C@@H](NC1(C)C(C)(C)C1(C)C)c1cc(C#N)ccn1 ZINC000903442738 621753829 /nfs/dbraw/zinc/75/38/29/621753829.db2.gz SOKCEDRFTODUIR-LLVKDONJSA-N 0 3 257.381 3.429 20 30 CGEDHN Cc1cc(C)c(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000905079624 622032708 /nfs/dbraw/zinc/03/27/08/622032708.db2.gz CRJBRDBIODPENI-AISSWFOISA-N 0 3 267.332 3.044 20 30 CGEDHN CCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905083826 622033428 /nfs/dbraw/zinc/03/34/28/622033428.db2.gz FTYKDDDARYHNEN-ZMTLZGASSA-N 0 3 297.358 3.216 20 30 CGEDHN CC(C)COc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905085046 622034006 /nfs/dbraw/zinc/03/40/06/622034006.db2.gz LRLGPGAUTZGRSB-ACLQVGRQSA-N 0 3 297.358 3.154 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000912195814 622618303 /nfs/dbraw/zinc/61/83/03/622618303.db2.gz QSZAFPNGNZBZSJ-ABAIWWIYSA-N 0 3 296.361 3.168 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)Cc1ccccc1C ZINC000912403681 622646909 /nfs/dbraw/zinc/64/69/09/622646909.db2.gz QDZPSGKPBRYZIB-INIZCTEOSA-N 0 3 274.408 3.027 20 30 CGEDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C#N)CC3)c2c1 ZINC000057824120 622889976 /nfs/dbraw/zinc/88/99/76/622889976.db2.gz ZOBAFKBIWXZUKX-UHFFFAOYSA-N 0 3 296.370 3.290 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@H]12 ZINC000992458586 623573358 /nfs/dbraw/zinc/57/33/58/623573358.db2.gz KSQOEZDYOPGEGJ-HKUYNNGSSA-N 0 3 298.430 3.216 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@@H]12 ZINC000992474300 623584202 /nfs/dbraw/zinc/58/42/02/623584202.db2.gz ZYUKZNOHYMVYKL-IEBWSBKVSA-N 0 3 298.430 3.216 20 30 CGEDHN C#CC[C@@H](NCc1ccnc(N(C)C)c1)c1ccccc1 ZINC000754141741 623816350 /nfs/dbraw/zinc/81/63/50/623816350.db2.gz PFFFGQGSYLWYLB-QGZVFWFLSA-N 0 3 279.387 3.002 20 30 CGEDHN C(=NOC[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000788034500 623887263 /nfs/dbraw/zinc/88/72/63/623887263.db2.gz SBQJUPIKZLJPOJ-MRXNPFEDSA-N 0 3 288.391 3.064 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993198944 623944072 /nfs/dbraw/zinc/94/40/72/623944072.db2.gz FWZHCUYPJWCVPU-DZGCQCFKSA-N 0 3 292.448 3.215 20 30 CGEDHN Cc1ccc(OC[C@H](C)NCc2csc(C#N)c2)cc1 ZINC000921617433 625698951 /nfs/dbraw/zinc/69/89/51/625698951.db2.gz NZIDROGKAMHTDT-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2ccco2)c([O-])c1 ZINC000920944719 624556036 /nfs/dbraw/zinc/55/60/36/624556036.db2.gz IHKLCQOOIXAVCG-AQTBWJFISA-N 0 3 286.375 3.493 20 30 CGEDHN N#CC(C(=O)CCC1CCC1)c1nc2ccccc2[nH]1 ZINC000175085168 624612550 /nfs/dbraw/zinc/61/25/50/624612550.db2.gz FLUMQAAYHRWLAS-GFCCVEGCSA-N 0 3 267.332 3.319 20 30 CGEDHN C=CCC[C@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000835266901 634420465 /nfs/dbraw/zinc/42/04/65/634420465.db2.gz FABQEIMZICPPPK-ZDUSSCGKSA-N 0 3 261.365 3.260 20 30 CGEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997924692 625773639 /nfs/dbraw/zinc/77/36/39/625773639.db2.gz CWUXPNCKDKCXEK-SFHVURJKSA-N 0 3 298.430 3.027 20 30 CGEDHN C[C@@H](CNCc1csc(C#N)c1)Oc1ccccc1F ZINC000921792459 625876830 /nfs/dbraw/zinc/87/68/30/625876830.db2.gz MJNSLMHHIDZHGH-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN C=CCCCCCNCc1csc(-c2ccn(C)n2)n1 ZINC000922224038 625986410 /nfs/dbraw/zinc/98/64/10/625986410.db2.gz FTDZEQZYFJQMBC-UHFFFAOYSA-N 0 3 290.436 3.380 20 30 CGEDHN N#Cc1cc(CNC[C@@H]2CCC3(CCCC3)O2)cs1 ZINC000922226740 625986831 /nfs/dbraw/zinc/98/68/31/625986831.db2.gz NFRZSUYAFHBDRQ-ZDUSSCGKSA-N 0 3 276.405 3.201 20 30 CGEDHN COc1cc(CNCc2ccc(C)c(C#N)c2)ccc1C ZINC000922759137 626043025 /nfs/dbraw/zinc/04/30/25/626043025.db2.gz DTDAJDQPQCURLC-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nc3c(s2)COCC3)C1 ZINC000922960200 626107198 /nfs/dbraw/zinc/10/71/98/626107198.db2.gz KSFOYSGRDPOQJH-NEPJUHHUSA-N 0 3 278.421 3.050 20 30 CGEDHN N#Cc1cc(CNC[C@]2(c3ccccc3)CCCO2)cs1 ZINC000922964341 626110900 /nfs/dbraw/zinc/11/09/00/626110900.db2.gz RVTFSRWFNIRYOU-KRWDZBQOSA-N 0 3 298.411 3.415 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccnc(Cl)c1 ZINC000840785523 626175321 /nfs/dbraw/zinc/17/53/21/626175321.db2.gz IBNANYSVNAMLGR-JTQLQIEISA-N 0 3 251.761 3.325 20 30 CGEDHN CC(C)CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1 ZINC000753938622 626469452 /nfs/dbraw/zinc/46/94/52/626469452.db2.gz KZWMFMGANJTPPI-IYBDPMFKSA-N 0 3 298.434 3.297 20 30 CGEDHN N#CC(C(=O)C1CCC(=O)CC1)c1ccc2ccccc2n1 ZINC000753951946 626469759 /nfs/dbraw/zinc/46/97/59/626469759.db2.gz ZTNLIWYSAKIUJX-HNNXBMFYSA-N 0 3 292.338 3.170 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCCCO3)nc21 ZINC000756289762 626689628 /nfs/dbraw/zinc/68/96/28/626689628.db2.gz IVDAMDLTVZLDOX-STQMWFEESA-N 0 3 297.358 3.007 20 30 CGEDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1C#N ZINC000756758154 626729912 /nfs/dbraw/zinc/72/99/12/626729912.db2.gz FTPHOUZUKALIMP-ZDUSSCGKSA-N 0 3 296.370 3.432 20 30 CGEDHN CCCCCCCCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000756896549 626739738 /nfs/dbraw/zinc/73/97/38/626739738.db2.gz LCBDEOIFBFHCBG-HOTGVXAUSA-N 0 3 269.429 3.227 20 30 CGEDHN CCCCCCN(C)CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000765778261 627270022 /nfs/dbraw/zinc/27/00/22/627270022.db2.gz YDBHPTCUHAAANR-HNNXBMFYSA-N 0 3 293.455 3.039 20 30 CGEDHN C#CCCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000766935826 627372160 /nfs/dbraw/zinc/37/21/60/627372160.db2.gz QEZRDQCVKVJHAQ-ZDUSSCGKSA-N 0 3 263.768 3.207 20 30 CGEDHN CCCCCCCN1CCN(Cc2ccncc2)CC1 ZINC000767549225 627416546 /nfs/dbraw/zinc/41/65/46/627416546.db2.gz QICKVACFGAEJOP-UHFFFAOYSA-N 0 3 275.440 3.170 20 30 CGEDHN N#CC(C(=O)CCCC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000771258900 627694124 /nfs/dbraw/zinc/69/41/24/627694124.db2.gz KHSOOOYGWPMNEX-VIFPVBQESA-N 0 3 295.264 3.472 20 30 CGEDHN C=C(C)COC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772709783 627816903 /nfs/dbraw/zinc/81/69/03/627816903.db2.gz CXMVLXNLNZRBSM-UHFFFAOYSA-N 0 3 287.403 3.408 20 30 CGEDHN C[C@H](NCc1cc(C#N)ccc1F)c1ccccc1O ZINC000775131208 628066315 /nfs/dbraw/zinc/06/63/15/628066315.db2.gz TYIZNGUJWYRMGD-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN C#C[C@@H](NCc1cc2ccccc2s1)[C@@H]1CCCO1 ZINC000775346535 628085445 /nfs/dbraw/zinc/08/54/45/628085445.db2.gz UUZQNASIVQBMST-CABCVRRESA-N 0 3 271.385 3.172 20 30 CGEDHN C#C[C@@H](C)NCc1c(-c2ccccc2)nc2sccn12 ZINC000775431433 628094751 /nfs/dbraw/zinc/09/47/51/628094751.db2.gz YSVYCYAUACPDJH-GFCCVEGCSA-N 0 3 281.384 3.174 20 30 CGEDHN CO[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000777013879 628244932 /nfs/dbraw/zinc/24/49/32/628244932.db2.gz XWQAZMOOOUNYKK-KGLIPLIRSA-N 0 3 298.308 3.103 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@H](C)C1 ZINC000778179214 628332613 /nfs/dbraw/zinc/33/26/13/628332613.db2.gz QKFCFRWVHXWYNU-CHWSQXEVSA-N 0 3 293.794 3.009 20 30 CGEDHN CCCCCCCN(CC)C[C@H](O)C(F)(F)F ZINC000778201570 628333406 /nfs/dbraw/zinc/33/34/06/628333406.db2.gz LBHHOLVXSLXOGR-NSHDSACASA-N 0 3 255.324 3.202 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@H](OCC2CC2)C1 ZINC000779188279 628393079 /nfs/dbraw/zinc/39/30/79/628393079.db2.gz KDZOFCUUHFZPQF-SFHVURJKSA-N 0 3 299.414 3.090 20 30 CGEDHN C=CCN(CC=C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000779474426 628415182 /nfs/dbraw/zinc/41/51/82/628415182.db2.gz SZVDZOBQIVHHEX-CQSZACIVSA-N 0 3 280.412 3.060 20 30 CGEDHN CCCCCCCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000781189529 628546067 /nfs/dbraw/zinc/54/60/67/628546067.db2.gz NBDGDKMPCWYGKF-CQSZACIVSA-N 0 3 266.429 3.114 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000785617677 628874993 /nfs/dbraw/zinc/87/49/93/628874993.db2.gz SGNMVWXVPRBNOQ-MRXNPFEDSA-N 0 3 264.328 3.041 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H](O)c1ccc(F)cc1C ZINC000785998675 628906471 /nfs/dbraw/zinc/90/64/71/628906471.db2.gz KFGQWAZICSGBFD-HOCLYGCPSA-N 0 3 263.356 3.208 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cccc(OCC(F)(F)F)c1 ZINC000787997668 629038724 /nfs/dbraw/zinc/03/87/24/629038724.db2.gz ONEKWOUWONRVOG-UHFFFAOYSA-N 0 3 285.309 3.471 20 30 CGEDHN CC(C)[C@H](NCc1ccccc1C#N)[C@@H](O)c1ccccc1 ZINC000788536186 629063111 /nfs/dbraw/zinc/06/31/11/629063111.db2.gz FQFMUDVBTWQIGX-OALUTQOASA-N 0 3 294.398 3.406 20 30 CGEDHN CC(C)[C@H](NCc1ccccc1C#N)[C@H](O)c1ccccc1 ZINC000788536187 629063251 /nfs/dbraw/zinc/06/32/51/629063251.db2.gz FQFMUDVBTWQIGX-RBUKOAKNSA-N 0 3 294.398 3.406 20 30 CGEDHN C#CC[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000805893702 629141665 /nfs/dbraw/zinc/14/16/65/629141665.db2.gz SQVHLPHQIUXIDT-SFHVURJKSA-N 0 3 297.398 3.241 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCSC1 ZINC000790483844 629212733 /nfs/dbraw/zinc/21/27/33/629212733.db2.gz KOGFQICLGZTYGN-GFCCVEGCSA-N 0 3 295.835 3.195 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(OC)ccc2OC(F)F)C1 ZINC000862445468 629380098 /nfs/dbraw/zinc/38/00/98/629380098.db2.gz URSANNNHKFMMKQ-GFCCVEGCSA-N 0 3 295.329 3.142 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@H](C(N)=O)c1ccccc1 ZINC000793522308 629474342 /nfs/dbraw/zinc/47/43/42/629474342.db2.gz FPDBRMNCGKGYFZ-HOCLYGCPSA-N 0 3 274.408 3.328 20 30 CGEDHN c1cnn(N=C2CCN(C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000863163604 629486264 /nfs/dbraw/zinc/48/62/64/629486264.db2.gz KJWLCTCTZMJQHH-KRWDZBQOSA-N 0 3 280.375 3.087 20 30 CGEDHN C[C@@H]1C(=O)CC[C@@H]1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000796654847 629811539 /nfs/dbraw/zinc/81/15/39/629811539.db2.gz PHFCYJJGVKAOSJ-QJPTWQEYSA-N 0 3 296.326 3.009 20 30 CGEDHN CCC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)COC1 ZINC000797572731 629962227 /nfs/dbraw/zinc/96/22/27/629962227.db2.gz HFOHBBGHERBJRH-JTQLQIEISA-N 0 3 292.404 3.043 20 30 CGEDHN Cc1cc(Cl)cc(C[NH2+]CC2(CC#N)CC2)c1[O-] ZINC000797604625 629969728 /nfs/dbraw/zinc/96/97/28/629969728.db2.gz ZSDSFSPKHFOBSG-UHFFFAOYSA-N 0 3 264.756 3.138 20 30 CGEDHN CC(C)C[C@@H](C)C=Nn1cnnc1-c1ccccc1 ZINC000799106405 630142716 /nfs/dbraw/zinc/14/27/16/630142716.db2.gz GCQYNTXMPMZNMF-CYBMUJFWSA-N 0 3 256.353 3.461 20 30 CGEDHN C=CCN1CCC(Nc2ncc(C(F)(F)F)cc2C)CC1 ZINC000865522690 630166849 /nfs/dbraw/zinc/16/68/49/630166849.db2.gz WAUREIJYRCWJRS-UHFFFAOYSA-N 0 3 299.340 3.471 20 30 CGEDHN C=CCC1(NCc2cn(CCC)nn2)CCCCC1 ZINC000865592741 630208875 /nfs/dbraw/zinc/20/88/75/630208875.db2.gz ZNSUPNSNPSGASZ-UHFFFAOYSA-N 0 3 262.401 3.057 20 30 CGEDHN C#CCOc1ccccc1CNCC(C)(C)C(F)(F)F ZINC000800889080 630309412 /nfs/dbraw/zinc/30/94/12/630309412.db2.gz OAZWTJOLZMGDGA-UHFFFAOYSA-N 0 3 285.309 3.377 20 30 CGEDHN C[C@H](C#N)OCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000801923199 630367697 /nfs/dbraw/zinc/36/76/97/630367697.db2.gz BBWJUCHFTPGKJA-IOASZLSFSA-N 0 3 276.355 3.137 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000809686324 630783113 /nfs/dbraw/zinc/78/31/13/630783113.db2.gz KPOPCEDMZDSQQA-SNVBAGLBSA-N 0 3 273.710 3.443 20 30 CGEDHN C#C[C@H](NCc1cn(C)nc1-c1ccccc1)C(C)(C)C ZINC000809781540 630806050 /nfs/dbraw/zinc/80/60/50/630806050.db2.gz VLYLEWFXIJQXJY-INIZCTEOSA-N 0 3 281.403 3.225 20 30 CGEDHN C#C[C@@H](NCc1cnc2ccc(Cl)cn12)C(C)(C)C ZINC000809781617 630806660 /nfs/dbraw/zinc/80/66/60/630806660.db2.gz XJHPPKGLZLLAJB-CYBMUJFWSA-N 0 3 275.783 3.125 20 30 CGEDHN C#C[C@H](NCc1cc(-c2ccccc2)n[nH]1)C(C)(C)C ZINC000809781929 630807529 /nfs/dbraw/zinc/80/75/29/630807529.db2.gz DLDGSUXEJQLNNA-INIZCTEOSA-N 0 3 267.376 3.214 20 30 CGEDHN C#C[C@@H](NCc1ccc(OCC(F)F)cc1)C(C)(C)C ZINC000809782900 630807717 /nfs/dbraw/zinc/80/77/17/630807717.db2.gz KLISOLQVVHOCAT-CQSZACIVSA-N 0 3 281.346 3.468 20 30 CGEDHN N#Cc1csc(CN[C@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000810152586 630848024 /nfs/dbraw/zinc/84/80/24/630848024.db2.gz WCQRUXZKIMIXHA-KGLIPLIRSA-N 0 3 283.400 3.441 20 30 CGEDHN C#C[C@H](N[C@@H](C)C[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000811517301 631082224 /nfs/dbraw/zinc/08/22/24/631082224.db2.gz NQTVTXHYAWAWGY-XEZPLFJOSA-N 0 3 277.795 3.419 20 30 CGEDHN C#CCCCCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000878710290 635612231 /nfs/dbraw/zinc/61/22/31/635612231.db2.gz BEPBURXMYDTUDK-LJQANCHMSA-N 0 3 297.398 3.290 20 30 CGEDHN COc1cccc(O)c1/C=N\C[C@H](c1ccccc1)N(C)C ZINC000812392386 631243359 /nfs/dbraw/zinc/24/33/59/631243359.db2.gz LKHUUTNWUPYVLQ-BKAYVGFPSA-N 0 3 298.386 3.123 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC2CC2)c1 ZINC000813059682 631343717 /nfs/dbraw/zinc/34/37/17/631343717.db2.gz FKEMCDMNHYSLKH-HNNXBMFYSA-N 0 3 284.359 3.223 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000876558995 634856433 /nfs/dbraw/zinc/85/64/33/634856433.db2.gz RLLQKYRJZLJJHV-CYBMUJFWSA-N 0 3 266.772 3.218 20 30 CGEDHN COC(=O)/C(C)=C/CN[C@H](CCCC#N)c1ccccc1 ZINC000814660418 631617489 /nfs/dbraw/zinc/61/74/89/631617489.db2.gz UTOJRJWFVPKUIV-WSYSLRRZSA-N 0 3 286.375 3.130 20 30 CGEDHN C#CCN(CC)C/C(C)=C/c1ccccc1COC ZINC000816496277 631994666 /nfs/dbraw/zinc/99/46/66/631994666.db2.gz CVHCSCYUJVBYBS-NTCAYCPXSA-N 0 3 257.377 3.191 20 30 CGEDHN CCCCc1ccc(N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000818153015 632291620 /nfs/dbraw/zinc/29/16/20/632291620.db2.gz HKQHHYSLDLFQAJ-INIZCTEOSA-N 0 3 287.407 3.013 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000879518715 635802914 /nfs/dbraw/zinc/80/29/14/635802914.db2.gz UZJMIGUVZZBHPX-YOEHRIQHSA-N 0 3 288.435 3.396 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[C@H](C#N)C2)c([O-])c1 ZINC000818991871 632360623 /nfs/dbraw/zinc/36/06/23/632360623.db2.gz KQWSCDXYZMNUHN-YSLQZMOCSA-N 0 3 285.391 3.350 20 30 CGEDHN CN(CCC#N)c1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000865753134 632878813 /nfs/dbraw/zinc/87/88/13/632878813.db2.gz JSLBXBUKHMECSC-ZIAGYGMSSA-N 0 3 297.324 3.077 20 30 CGEDHN C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cc(F)ccc1[O-] ZINC000866618246 633217852 /nfs/dbraw/zinc/21/78/52/633217852.db2.gz XUCMQXCOFVMGSQ-BZNIZROVSA-N 0 3 296.345 3.221 20 30 CGEDHN C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cc(F)ccc1[O-] ZINC000866618248 633218017 /nfs/dbraw/zinc/21/80/17/633218017.db2.gz XUCMQXCOFVMGSQ-ZBEGNZNMSA-N 0 3 296.345 3.221 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)[C@H](C)CC ZINC000876560845 634857832 /nfs/dbraw/zinc/85/78/32/634857832.db2.gz OOKZTAOZKLSZTQ-HIFRSBDPSA-N 0 3 294.826 3.284 20 30 CGEDHN C#CCN(Cc1ccnn1-c1ccncc1)C1CCCCC1 ZINC000824632397 633266647 /nfs/dbraw/zinc/26/66/47/633266647.db2.gz HMKRSVZOYCDQNW-UHFFFAOYSA-N 0 3 294.402 3.035 20 30 CGEDHN CCOCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000826862032 633438366 /nfs/dbraw/zinc/43/83/66/633438366.db2.gz RNHWMCCXPSACLA-HNNXBMFYSA-N 0 3 288.391 3.185 20 30 CGEDHN C#C[C@H](C)NCc1ccc(SC(F)(F)F)cc1 ZINC000123084634 633571492 /nfs/dbraw/zinc/57/14/92/633571492.db2.gz RRUAMNGQSCFTIE-VIFPVBQESA-N 0 3 259.296 3.410 20 30 CGEDHN C#CC[C@@H]1CCCN([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000829804456 633789849 /nfs/dbraw/zinc/78/98/49/633789849.db2.gz HKEMSERBVGIOOU-ZIAGYGMSSA-N 0 3 289.375 3.171 20 30 CGEDHN C#CC1CCN(Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000830330031 633850958 /nfs/dbraw/zinc/85/09/58/633850958.db2.gz OTXWVRIGGNTCHJ-UHFFFAOYSA-N 0 3 295.382 3.255 20 30 CGEDHN C=C(Br)CN1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831000880 633908732 /nfs/dbraw/zinc/90/87/32/633908732.db2.gz JHWBJOCBANGMFZ-VOAKCMCISA-N 0 3 268.198 3.039 20 30 CGEDHN C=CCCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068784 633990754 /nfs/dbraw/zinc/99/07/54/633990754.db2.gz ZQMVXEZRMVDHMM-JTQLQIEISA-N 0 3 252.289 3.351 20 30 CGEDHN C#Cc1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000834902129 634279036 /nfs/dbraw/zinc/27/90/36/634279036.db2.gz FKFUOAUFUNTAQY-MRXNPFEDSA-N 0 3 251.329 3.428 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NC(CC(C)C)CC(C)C ZINC000876648087 634874712 /nfs/dbraw/zinc/87/47/12/634874712.db2.gz MURAPHSIEXGAEW-ZDUSSCGKSA-N 0 3 274.836 3.033 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1NC1CCC1 ZINC000876949411 634934466 /nfs/dbraw/zinc/93/44/66/634934466.db2.gz RBCOXFALSRZZOI-GFCCVEGCSA-N 0 3 293.798 3.059 20 30 CGEDHN C=CCCC[C@H](C)NCc1cc(OC)cnc1F ZINC000877137193 634998527 /nfs/dbraw/zinc/99/85/27/634998527.db2.gz RTELSNGPZMFOGJ-NSHDSACASA-N 0 3 252.333 3.064 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000877303445 635021560 /nfs/dbraw/zinc/02/15/60/635021560.db2.gz HNISEQZUBWMJFT-UHFFFAOYSA-N 0 3 272.392 3.012 20 30 CGEDHN CC(C)(CCC#N)CNCc1nc(Cl)cs1 ZINC000877529378 635072773 /nfs/dbraw/zinc/07/27/73/635072773.db2.gz AXAKTFVWUODFOS-UHFFFAOYSA-N 0 3 257.790 3.216 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@@H](CO)c2ccc(Cl)cc2)C1 ZINC000877699753 635150268 /nfs/dbraw/zinc/15/02/68/635150268.db2.gz INUVAJKJKZUGSI-CQDKDKBSSA-N 0 3 278.783 3.045 20 30 CGEDHN Cc1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)n(C)n1 ZINC000841762930 635233467 /nfs/dbraw/zinc/23/34/67/635233467.db2.gz SGDGTUVIHYXFMJ-GUYCJALGSA-N 0 3 294.402 3.328 20 30 CGEDHN Cc1ccc(F)cc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842156870 635298970 /nfs/dbraw/zinc/29/89/70/635298970.db2.gz AEFQSMQJBLGJOP-GOSISDBHSA-N 0 3 298.361 3.171 20 30 CGEDHN C#CCCCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000878118324 635364907 /nfs/dbraw/zinc/36/49/07/635364907.db2.gz LWRLFBZRYHIHMW-ZDUSSCGKSA-N 0 3 277.330 3.223 20 30 CGEDHN FC(F)CNN=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842526532 635391156 /nfs/dbraw/zinc/39/11/56/635391156.db2.gz ACXUQAMXCOAFMM-UHFFFAOYSA-N 0 3 293.361 3.026 20 30 CGEDHN C#CC[C@H]1CCCN(Cn2cnc3cc(F)c(F)cc32)C1 ZINC000842630051 635421682 /nfs/dbraw/zinc/42/16/82/635421682.db2.gz WGYTWPBMQNTKGC-LBPRGKRZSA-N 0 3 289.329 3.007 20 30 CGEDHN C#CCCCCCN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000878426498 635503167 /nfs/dbraw/zinc/50/31/67/635503167.db2.gz MGAALLIRMYQIKC-OAHLLOKOSA-N 0 3 282.391 3.112 20 30 CGEDHN C[C@H](c1ccccc1)N1CCN(CCC(C)(C)C#N)CC1 ZINC000880250451 635956647 /nfs/dbraw/zinc/95/66/47/635956647.db2.gz KHEYDFXOKYAYFS-MRXNPFEDSA-N 0 3 285.435 3.305 20 30 CGEDHN N#CC(C(=O)C=CC1CCCCCC1)c1ccncn1 ZINC000845512900 636042776 /nfs/dbraw/zinc/04/27/76/636042776.db2.gz DYFDYEPXHLALDP-WBTMPAOCSA-N 0 3 269.348 3.179 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845732539 636089805 /nfs/dbraw/zinc/08/98/05/636089805.db2.gz QWQUINMMDZRHQJ-OLZOCXBDSA-N 0 3 253.386 3.005 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000846110135 636145051 /nfs/dbraw/zinc/14/50/51/636145051.db2.gz ZJVVFEARBJXINS-INIZCTEOSA-N 0 3 291.341 3.320 20 30 CGEDHN C#C[C@@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000847020301 636312213 /nfs/dbraw/zinc/31/22/13/636312213.db2.gz ARHCKLKOBCPQGN-ZIAGYGMSSA-N 0 3 272.348 3.309 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccccc2OCC(F)(F)F)C1 ZINC000847027487 636317244 /nfs/dbraw/zinc/31/72/44/636317244.db2.gz TVVKDJHMHGDIQI-ZDUSSCGKSA-N 0 3 297.320 3.473 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000847029230 636318771 /nfs/dbraw/zinc/31/87/71/636318771.db2.gz MCJPIWYMDGBSHE-HNNXBMFYSA-N 0 3 280.371 3.495 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000847032686 636318849 /nfs/dbraw/zinc/31/88/49/636318849.db2.gz YLNBAOBSEZCVLF-GFCCVEGCSA-N 0 3 295.329 3.142 20 30 CGEDHN CC[C@](C)(CC(=O)OC)NCC#Cc1cccc(Cl)c1 ZINC000130032692 636409919 /nfs/dbraw/zinc/40/99/19/636409919.db2.gz BGMBMWNYMHRLMY-MRXNPFEDSA-N 0 3 293.794 3.013 20 30 CGEDHN COc1cc(F)cc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848407606 636568745 /nfs/dbraw/zinc/56/87/45/636568745.db2.gz RXVPEDNZJTTWBQ-INIZCTEOSA-N 0 3 291.370 3.251 20 30 CGEDHN C=CCC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000883200209 636581466 /nfs/dbraw/zinc/58/14/66/636581466.db2.gz CXCICPHRXHPGQL-ZBFHGGJFSA-N 0 3 290.363 3.198 20 30 CGEDHN C=CCC[C@@H](COc1ccccc1)NCc1cc(C)ncn1 ZINC000883208462 636586511 /nfs/dbraw/zinc/58/65/11/636586511.db2.gz HGBFKBUCWNJUEL-INIZCTEOSA-N 0 3 297.402 3.288 20 30 CGEDHN C=CC[C@@H](N[C@@H](C)c1ccnc(OC)c1)c1ccncc1 ZINC000848530479 636591626 /nfs/dbraw/zinc/59/16/26/636591626.db2.gz HUEPGTIUYMXDBR-XJKSGUPXSA-N 0 3 283.375 3.453 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](CC)c1cc(F)ccc1F ZINC000883389569 636732483 /nfs/dbraw/zinc/73/24/83/636732483.db2.gz UBEDNXCWDFPUBN-WFASDCNBSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000883392327 636736810 /nfs/dbraw/zinc/73/68/10/636736810.db2.gz FNYGZJIEXNVMDH-YPMHNXCESA-N 0 3 283.774 3.383 20 30 CGEDHN C=CCC1(O)CCN(Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000884477685 637039550 /nfs/dbraw/zinc/03/95/50/637039550.db2.gz DZEMVIPGDDAKOW-UHFFFAOYSA-N 0 3 299.418 3.014 20 30 CGEDHN C#CCOc1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1 ZINC000850386174 637042894 /nfs/dbraw/zinc/04/28/94/637042894.db2.gz GVPLTHFPRPQXNN-LJQANCHMSA-N 0 3 293.366 3.181 20 30 CGEDHN C=CCOCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850532342 637109435 /nfs/dbraw/zinc/10/94/35/637109435.db2.gz SXJRRUVMPZFTFB-WCQYABFASA-N 0 3 279.355 3.262 20 30 CGEDHN CO[C@@H]1C[C@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC000850549384 637117544 /nfs/dbraw/zinc/11/75/44/637117544.db2.gz GIXJNDPYCBNMIY-UONOGXRCSA-N 0 3 262.397 3.008 20 30 CGEDHN CC(C)c1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000850948582 637197704 /nfs/dbraw/zinc/19/77/04/637197704.db2.gz UGDJCASOZYNROM-AWEZNQCLSA-N 0 3 265.316 3.090 20 30 CGEDHN C[C@H](c1ccco1)N(C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886077379 637401572 /nfs/dbraw/zinc/40/15/72/637401572.db2.gz YTGMAZPWHNEUTB-HIFRSBDPSA-N 0 3 288.391 3.250 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](OC)C1 ZINC000851738882 637484873 /nfs/dbraw/zinc/48/48/73/637484873.db2.gz WAFDIDMJRHKTMF-ZBFHGGJFSA-N 0 3 290.363 3.150 20 30 CGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000886355716 637511571 /nfs/dbraw/zinc/51/15/71/637511571.db2.gz MPQHXXMUOSWZSM-HZPDHXFCSA-N 0 3 298.430 3.482 20 30 CGEDHN C#CCC1(NCc2cscc2Cl)CCOCC1 ZINC000886381582 637521698 /nfs/dbraw/zinc/52/16/98/637521698.db2.gz JEJZAMXLARHKIM-UHFFFAOYSA-N 0 3 269.797 3.064 20 30 CGEDHN C#CCOCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000852155750 637607501 /nfs/dbraw/zinc/60/75/01/637607501.db2.gz MCQFQMXOUVANBE-KRWDZBQOSA-N 0 3 269.388 3.254 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000852319755 637633713 /nfs/dbraw/zinc/63/37/13/637633713.db2.gz RIGHKPMTBVXRED-UKRRQHHQSA-N 0 3 284.359 3.092 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccccn2)CCC1 ZINC000852565262 637680057 /nfs/dbraw/zinc/68/00/57/637680057.db2.gz FQIOHSQMXMLTJV-GOEBONIOSA-N 0 3 269.392 3.076 20 30 CGEDHN C=CCOc1ccccc1CNCc1cccc(OC)c1O ZINC000111395341 637861104 /nfs/dbraw/zinc/86/11/04/637861104.db2.gz NGAVMMMOOJHRQR-UHFFFAOYSA-N 0 3 299.370 3.255 20 30 CGEDHN C=CCCCCCCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000854066909 637981717 /nfs/dbraw/zinc/98/17/17/637981717.db2.gz JYYTXHFDKBBJJG-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN CC(C)Oc1ccc(CN[C@@H](C)CC(C)(C)C#N)cn1 ZINC000924692471 638390138 /nfs/dbraw/zinc/39/01/38/638390138.db2.gz NGFHIHUVCPDIQH-ZDUSSCGKSA-N 0 3 275.396 3.287 20 30 CGEDHN C#CCOc1ccccc1CN[C@H](C)CC(C)(C)C#N ZINC000925421094 638501161 /nfs/dbraw/zinc/50/11/61/638501161.db2.gz NUVNXQXPWDNLCI-CQSZACIVSA-N 0 3 270.376 3.117 20 30 CGEDHN C=CCC[C@H](N[C@@H](C)c1cnnn1C)c1ccccc1 ZINC000925578682 638535978 /nfs/dbraw/zinc/53/59/78/638535978.db2.gz HMILFEULMDWONL-ZFWWWQNUSA-N 0 3 270.380 3.173 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCC1(OC)OC)c1ccccc1 ZINC000925581849 638537246 /nfs/dbraw/zinc/53/72/46/638537246.db2.gz WEIRWQGPZSGVMA-HZPDHXFCSA-N 0 3 275.392 3.435 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858013874 638618181 /nfs/dbraw/zinc/61/81/81/638618181.db2.gz WSKDFQNTJWYBBE-SFHVURJKSA-N 0 3 292.382 3.025 20 30 CGEDHN C#CC[C@H](COC)NCc1ccc(OCC=C)c(Cl)c1 ZINC000858334880 638685199 /nfs/dbraw/zinc/68/51/99/638685199.db2.gz HFFQIKXQMPFJKY-CQSZACIVSA-N 0 3 293.794 3.033 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1cccnc1N1CCCC1 ZINC000926687168 638798730 /nfs/dbraw/zinc/79/87/30/638798730.db2.gz VSSHRAAODZYUID-AWEZNQCLSA-N 0 3 286.423 3.100 20 30 CGEDHN C=CC(C)(C)CCCN[C@@H](C)c1nn(CC)nc1C ZINC000926823515 638815389 /nfs/dbraw/zinc/81/53/89/638815389.db2.gz RYQMMUMRJRDTBR-LBPRGKRZSA-N 0 3 264.417 3.249 20 30 CGEDHN Cc1nc(C)c(CNC2(c3ccc(C#N)cc3)CCC2)[nH]1 ZINC000930886758 639082630 /nfs/dbraw/zinc/08/26/30/639082630.db2.gz HOJSPZYDKQNKTD-UHFFFAOYSA-N 0 3 280.375 3.067 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(C)nc(Cl)c2)C1 ZINC000859445279 639142865 /nfs/dbraw/zinc/14/28/65/639142865.db2.gz DNIQQXRFCBETSY-LBPRGKRZSA-N 0 3 250.773 3.441 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(C)nc(Cl)c2)C1 ZINC000859445278 639143301 /nfs/dbraw/zinc/14/33/01/639143301.db2.gz DNIQQXRFCBETSY-GFCCVEGCSA-N 0 3 250.773 3.441 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000932721818 639375703 /nfs/dbraw/zinc/37/57/03/639375703.db2.gz BHZAJENKAHVIOE-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CC[C@@H]1CCN1C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000934463182 639612553 /nfs/dbraw/zinc/61/25/53/639612553.db2.gz UOTOZCZMDLIJMB-UTUOFQBUSA-N 0 3 263.303 3.137 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000934465600 639613997 /nfs/dbraw/zinc/61/39/97/639613997.db2.gz DPGMQJLHDDNZFH-MRXNPFEDSA-N 0 3 295.382 3.432 20 30 CGEDHN N#Cc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000934685755 639656844 /nfs/dbraw/zinc/65/68/44/639656844.db2.gz GXBSCFXEZXBNCP-QGZVFWFLSA-N 0 3 263.344 3.194 20 30 CGEDHN C=C(C)c1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000934875566 639694945 /nfs/dbraw/zinc/69/49/45/639694945.db2.gz GPBFZSXTUIPZMK-KRWDZBQOSA-N 0 3 297.402 3.198 20 30 CGEDHN N#CC(C(=O)CCc1ccc(F)cc1)c1ccccn1 ZINC000041493282 639903424 /nfs/dbraw/zinc/90/34/24/639903424.db2.gz JLBAJSLUHPLORL-CQSZACIVSA-N 0 3 268.291 3.030 20 30 CGEDHN N#CC(C(=O)C[C@@H]1C=CCC1)c1nc2ccccc2[nH]1 ZINC000041496154 639904816 /nfs/dbraw/zinc/90/48/16/639904816.db2.gz ZLMXOAODHJTMKN-NEPJUHHUSA-N 0 3 265.316 3.095 20 30 CGEDHN C#CCOc1ccccc1CNCc1ccc(C)s1 ZINC000048068735 640037448 /nfs/dbraw/zinc/03/74/48/640037448.db2.gz SZMPWCTVSNXWNG-UHFFFAOYSA-N 0 3 271.385 3.358 20 30 CGEDHN C=CCSc1nc2ccccc2n1CN(C)C1CC1 ZINC000192562232 640386797 /nfs/dbraw/zinc/38/67/97/640386797.db2.gz DINYGSVABNWOEZ-UHFFFAOYSA-N 0 3 273.405 3.366 20 30 CGEDHN CC[C@@H]1CN(Cc2ccc(O[C@H](C)C#N)cc2)CCS1 ZINC000245735917 640635344 /nfs/dbraw/zinc/63/53/44/640635344.db2.gz KSRJUPBUXZSMQE-CZUORRHYSA-N 0 3 290.432 3.305 20 30 CGEDHN C#C[C@@H](NCc1ccccc1OC(F)F)C(C)C ZINC000306004390 640910386 /nfs/dbraw/zinc/91/03/86/640910386.db2.gz VSVJUCNIWRUDSN-GFCCVEGCSA-N 0 3 253.292 3.035 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001015830421 640987208 /nfs/dbraw/zinc/98/72/08/640987208.db2.gz UMZGTEGACQWVDN-GOSISDBHSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016425215 640999557 /nfs/dbraw/zinc/99/95/57/640999557.db2.gz SJCMZFPFQWXKRF-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](C)C1 ZINC001017865825 641017160 /nfs/dbraw/zinc/01/71/60/641017160.db2.gz QWJNVVWMVJUMFH-LUKYLMHMSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001158329078 805938402 /nfs/dbraw/zinc/93/84/02/805938402.db2.gz ITFYEBKUHSCKSI-MRXNPFEDSA-N 0 3 278.440 3.232 20 30 CGEDHN CC(C)c1ccc(C#N)c(N2CCN(C)CC23CCCC3)n1 ZINC001158408295 805951336 /nfs/dbraw/zinc/95/13/36/805951336.db2.gz FHNLCPMLCMMNTQ-UHFFFAOYSA-N 0 3 298.434 3.141 20 30 CGEDHN Cc1cc(N(C2CCCC2)C2CCN(C)CC2)ncc1C#N ZINC001158488310 805960511 /nfs/dbraw/zinc/96/05/11/805960511.db2.gz RYNGUPFCZODEBW-UHFFFAOYSA-N 0 3 298.434 3.105 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1ccc(F)cn1 ZINC001252132650 806018963 /nfs/dbraw/zinc/01/89/63/806018963.db2.gz ANHBJCQDLBFCGF-INIZCTEOSA-N 0 3 282.403 3.422 20 30 CGEDHN CCCCCCCC[C@H](O)CN[C@@H](C)c1cncnc1 ZINC001252133171 806019104 /nfs/dbraw/zinc/01/91/04/806019104.db2.gz GXYFJRKOLQQTBA-HOCLYGCPSA-N 0 3 279.428 3.239 20 30 CGEDHN N#Cc1ccc([O-])c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001159630404 806135990 /nfs/dbraw/zinc/13/59/90/806135990.db2.gz UUZGESABMUDKLE-OAHLLOKOSA-N 0 3 279.343 3.432 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1CCC(C#N)CC1 ZINC001253227710 806184382 /nfs/dbraw/zinc/18/43/82/806184382.db2.gz LCUMTNXOSRSARU-MRXNPFEDSA-N 0 3 264.413 3.109 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ccnc(F)c1 ZINC001253249525 806195662 /nfs/dbraw/zinc/19/56/62/806195662.db2.gz AOXZHHWACSJRTG-HNNXBMFYSA-N 0 3 280.387 3.198 20 30 CGEDHN C=C[C@H](O)CNC(C)(C)c1ccc(Cl)cc1Cl ZINC001253605019 806272190 /nfs/dbraw/zinc/27/21/90/806272190.db2.gz ONPJCJKLDWPKSE-JTQLQIEISA-N 0 3 274.191 3.365 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(F)c(Br)c2)C1 ZINC001254636750 806467377 /nfs/dbraw/zinc/46/73/77/806467377.db2.gz ZWFCUFKJMJOOGJ-ONGXEEELSA-N 0 3 297.171 3.370 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC3(CC(=O)c4ccccc43)CC2)C1 ZINC001254676558 806485430 /nfs/dbraw/zinc/48/54/30/806485430.db2.gz MECAAPPLMFUGFW-GJZGRUSLSA-N 0 3 294.398 3.299 20 30 CGEDHN CN1CCCC[C@@H]1c1ccc(NCC2(C#N)CCC2)nc1 ZINC001162413610 806582310 /nfs/dbraw/zinc/58/23/10/806582310.db2.gz ZDPLJRXVUWAGFZ-OAHLLOKOSA-N 0 3 284.407 3.344 20 30 CGEDHN C#CCOc1ccccc1CNCc1ccccc1C ZINC000037486711 798867720 /nfs/dbraw/zinc/86/77/20/798867720.db2.gz SRPXPAQYLYTPPY-UHFFFAOYSA-N 0 3 265.356 3.297 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2ccccc2)cc1OC ZINC000077252921 798927548 /nfs/dbraw/zinc/92/75/48/798927548.db2.gz IZNBEHLESZXHHS-UHFFFAOYSA-N 0 3 295.382 3.339 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1C=CCC1 ZINC000122211887 798991047 /nfs/dbraw/zinc/99/10/47/798991047.db2.gz QAQBPCSNMQKBTI-QWHCGFSZSA-N 0 3 279.343 3.106 20 30 CGEDHN C=C(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000386955327 799441836 /nfs/dbraw/zinc/44/18/36/799441836.db2.gz YFBFJAHDCPEWBJ-UHFFFAOYSA-N 0 3 255.745 3.110 20 30 CGEDHN CC(C)CN(CCC#N)CCCCC1CCOCC1 ZINC000388796569 799456901 /nfs/dbraw/zinc/45/69/01/799456901.db2.gz NYEQIKAMSDHPTR-UHFFFAOYSA-N 0 3 266.429 3.455 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)CCOCc1ccccc1 ZINC000390291577 799469478 /nfs/dbraw/zinc/46/94/78/799469478.db2.gz YZKIFEWUCGXVDP-GDBMZVCRSA-N 0 3 260.381 3.264 20 30 CGEDHN C=CCN1CCC(NC(=O)/C(C)=C\c2ccc(C)cc2)CC1 ZINC000588400078 799687801 /nfs/dbraw/zinc/68/78/01/799687801.db2.gz FXQNCRWUDRACLB-PEZBUJJGSA-N 0 3 298.430 3.165 20 30 CGEDHN C=CCC1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCCC1 ZINC000690713590 799778968 /nfs/dbraw/zinc/77/89/68/799778968.db2.gz OZERCLOHVMYJFL-UHFFFAOYSA-N 0 3 275.348 3.099 20 30 CGEDHN N#CC(C(=O)C1CCC2(CC2)CC1)c1ccccn1 ZINC000695624119 799829472 /nfs/dbraw/zinc/82/94/72/799829472.db2.gz WFAYZNUJJSTQLP-CYBMUJFWSA-N 0 3 254.333 3.228 20 30 CGEDHN C#C[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)(C)C ZINC000702294248 799907846 /nfs/dbraw/zinc/90/78/46/799907846.db2.gz MTADVZOGJKUENU-ZDUSSCGKSA-N 0 3 281.783 3.192 20 30 CGEDHN C=CCN(C)CCN(CC)c1ccc([N+](=O)[O-])cc1Cl ZINC001163604380 806791098 /nfs/dbraw/zinc/79/10/98/806791098.db2.gz BBKBMLMTKOYOCV-UHFFFAOYSA-N 0 3 297.786 3.192 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(F)c(F)c1 ZINC000709975924 800024859 /nfs/dbraw/zinc/02/48/59/800024859.db2.gz MEBTUJDKSKUKRN-JTQLQIEISA-N 0 3 252.308 3.383 20 30 CGEDHN C#CC[C@H](COC)NCc1ccc(Cl)c(Cl)c1 ZINC000716856495 800182897 /nfs/dbraw/zinc/18/28/97/800182897.db2.gz MICMVYJJTQBJBT-LLVKDONJSA-N 0 3 272.175 3.121 20 30 CGEDHN N#CCc1ccc(CN2CCC(c3ncco3)CC2)cc1 ZINC000826738078 800476859 /nfs/dbraw/zinc/47/68/59/800476859.db2.gz PPDRCSAIGJLTMS-UHFFFAOYSA-N 0 3 281.359 3.120 20 30 CGEDHN N#Cc1ccccc1OCCN[C@@H](c1ccccn1)C1CC1 ZINC000932381468 800661353 /nfs/dbraw/zinc/66/13/53/800661353.db2.gz NANDQWTTXZBOKA-GOSISDBHSA-N 0 3 293.370 3.073 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CCCC[C@H]2C)C1 ZINC001023151208 800705479 /nfs/dbraw/zinc/70/54/79/800705479.db2.gz HFDWCECXACRUKU-NGFQHRJXSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001023736816 800715357 /nfs/dbraw/zinc/71/53/57/800715357.db2.gz JPDUPRGEGFPATR-CQSZACIVSA-N 0 3 298.386 3.061 20 30 CGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280915 800838181 /nfs/dbraw/zinc/83/81/81/800838181.db2.gz ZCTGTQPFWOUOOQ-GOSISDBHSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C=C1CCCCC1 ZINC001032305125 800924537 /nfs/dbraw/zinc/92/45/37/800924537.db2.gz KOYLPYLFONDMEM-IRXDYDNUSA-N 0 3 288.435 3.128 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033444622 800964050 /nfs/dbraw/zinc/96/40/50/800964050.db2.gz XSEGEKMMUZLUCK-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033458369 800966829 /nfs/dbraw/zinc/96/68/29/800966829.db2.gz PXUYHMIQGIYWRG-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033603285 800969026 /nfs/dbraw/zinc/96/90/26/800969026.db2.gz KLMRWHSVMMZJQH-OAHLLOKOSA-N 0 3 292.810 3.062 20 30 CGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033639557 800971370 /nfs/dbraw/zinc/97/13/70/800971370.db2.gz INAUFYUGUUQWKF-OAHLLOKOSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033820160 800985886 /nfs/dbraw/zinc/98/58/86/800985886.db2.gz JWMPYKCSJNWIFS-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034225135 801013340 /nfs/dbraw/zinc/01/33/40/801013340.db2.gz FGUSBTPBXAJIBD-SJLPKXTDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001034505313 801029408 /nfs/dbraw/zinc/02/94/08/801029408.db2.gz DUFVATLZLXQRBK-HNNXBMFYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001034547507 801033065 /nfs/dbraw/zinc/03/30/65/801033065.db2.gz RAOQHZMVGMEAOC-UPTPFMHGSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001038316328 801125032 /nfs/dbraw/zinc/12/50/32/801125032.db2.gz RRJXAHKHQXLMQD-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=Cc1ccc(C(=O)NC[C@@H]2CCN2CCC(=C)C)cc1 ZINC001038729705 801132484 /nfs/dbraw/zinc/13/24/84/801132484.db2.gz OZRRRSXSRZGOQD-KRWDZBQOSA-N 0 3 284.403 3.100 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039044285 801141758 /nfs/dbraw/zinc/14/17/58/801141758.db2.gz YAFPMIZVYGFBDC-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001039421625 801161285 /nfs/dbraw/zinc/16/12/85/801161285.db2.gz KXVYHKXXPHKLIW-CVEARBPZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@@H]21 ZINC001042181257 801202289 /nfs/dbraw/zinc/20/22/89/801202289.db2.gz FNAYGNDMEGLEOK-CABCVRRESA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C(CC)(CC)CC)C[C@@H]21 ZINC001042290530 801203509 /nfs/dbraw/zinc/20/35/09/801203509.db2.gz PVTGHBYFQYDMGL-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001045478082 801276311 /nfs/dbraw/zinc/27/63/11/801276311.db2.gz RDVJWRLMANAQSA-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C=C)cc1 ZINC001049743464 801386384 /nfs/dbraw/zinc/38/63/84/801386384.db2.gz PWQBQIQRSUXLAP-ZWKOTPCHSA-N 0 3 296.414 3.195 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049876164 801391964 /nfs/dbraw/zinc/39/19/64/801391964.db2.gz OLXARIRCICERRV-MSOLQXFVSA-N 0 3 298.430 3.168 20 30 CGEDHN CC(=O)C=C(C)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256521600 806908809 /nfs/dbraw/zinc/90/88/09/806908809.db2.gz APNZKVROCTUVKT-SSEPWQBHSA-N 0 3 286.419 3.122 20 30 CGEDHN CC(=O)C=C(C)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256521602 806909952 /nfs/dbraw/zinc/90/99/52/806909952.db2.gz APNZKVROCTUVKT-ZZVGLVNZSA-N 0 3 286.419 3.122 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(C[C@@H](F)CC)CC2)C1 ZINC001052693685 801449274 /nfs/dbraw/zinc/44/92/74/801449274.db2.gz XFMDZQYQFRSOJS-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001071491147 801541552 /nfs/dbraw/zinc/54/15/52/801541552.db2.gz XHRBQOSPJIECGB-NEPJUHHUSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001076526703 801619492 /nfs/dbraw/zinc/61/94/92/801619492.db2.gz WHJWUXIBLAGIQA-ZWKOTPCHSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001080889639 801656024 /nfs/dbraw/zinc/65/60/24/801656024.db2.gz NFEAREKSWFTULJ-GHMZBOCLSA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001080984355 801656249 /nfs/dbraw/zinc/65/62/49/801656249.db2.gz QNKPWTQDSIQHEL-JFIYKMOQSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C1CCC1 ZINC001085240868 801678674 /nfs/dbraw/zinc/67/86/74/801678674.db2.gz XVLQRKCFRDOLEY-NWANDNLSSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536636 801691644 /nfs/dbraw/zinc/69/16/44/801691644.db2.gz GKWGKGKDWBHVHO-AWEZNQCLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085804367 801705305 /nfs/dbraw/zinc/70/53/05/801705305.db2.gz HQTKNHRTJNRDFK-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C)C1 ZINC001086181238 801721709 /nfs/dbraw/zinc/72/17/09/801721709.db2.gz ARBXOCHMDVRPIC-REBRKWNGSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2sccc2C)[C@H]1CC ZINC001087488859 801749220 /nfs/dbraw/zinc/74/92/20/801749220.db2.gz WVERCQBLDAVBKJ-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1CC ZINC001087495818 801753351 /nfs/dbraw/zinc/75/33/51/801753351.db2.gz YGWYPSHKRRXXTQ-JKSUJKDBSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1CC ZINC001087569424 801757463 /nfs/dbraw/zinc/75/74/63/801757463.db2.gz VJXGITXJFHWNEQ-OWCLPIDISA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1CC ZINC001087605142 801760412 /nfs/dbraw/zinc/76/04/12/801760412.db2.gz JEXOHDWEJYDSBE-JKSUJKDBSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1CC ZINC001087843311 801771831 /nfs/dbraw/zinc/77/18/31/801771831.db2.gz PYFXSXOMRGTQJV-OWCLPIDISA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1C ZINC001088998667 801816167 /nfs/dbraw/zinc/81/61/67/801816167.db2.gz JGPANDQROIHVCR-DOMZBBRYSA-N 0 3 292.810 3.109 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089067392 801819309 /nfs/dbraw/zinc/81/93/09/801819309.db2.gz FGHCYIKQSYVGTD-OAGGEKHMSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1C ZINC001104636077 802051364 /nfs/dbraw/zinc/05/13/64/802051364.db2.gz NGBAMIBKHJWHTJ-TZMCWYRMSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109340497 802114745 /nfs/dbraw/zinc/11/47/45/802114745.db2.gz QVALFPWWSCRTMP-PMPSAXMXSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C1CC1)C2 ZINC001110527906 802144964 /nfs/dbraw/zinc/14/49/64/802144964.db2.gz OYXGGSAZHLZDQU-OAGGEKHMSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110985380 802151761 /nfs/dbraw/zinc/15/17/61/802151761.db2.gz XEOVYZOSTZCVRV-CBZIJGRNSA-N 0 3 290.451 3.276 20 30 CGEDHN C=CCCCC(=O)N[C@]12CCC[C@H]1CN(C[C@H](F)CC)C2 ZINC001111859231 802170308 /nfs/dbraw/zinc/17/03/08/802170308.db2.gz VVFNXBDZSDYQML-UXLLHSPISA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112687805 802184294 /nfs/dbraw/zinc/18/42/94/802184294.db2.gz TTZQKLDROWHTJQ-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC(C)(C)C=C)CC1 ZINC001112894632 802194573 /nfs/dbraw/zinc/19/45/73/802194573.db2.gz HYYCMYFCMKRSKE-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001113199571 802204980 /nfs/dbraw/zinc/20/49/80/802204980.db2.gz ASVYTOCYKUYFGX-DLBZAZTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001113230265 802208223 /nfs/dbraw/zinc/20/82/23/802208223.db2.gz ZSSNZJAFJABGEM-HOTGVXAUSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113243617 802209757 /nfs/dbraw/zinc/20/97/57/802209757.db2.gz LLSNMBSUVOGCIW-SJORKVTESA-N 0 3 294.483 3.415 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC(CC)CC)CC1 ZINC001113462824 802223615 /nfs/dbraw/zinc/22/36/15/802223615.db2.gz POSUHCKSLDSRIW-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C2CCCC2)CCCCC1 ZINC001115377496 802258194 /nfs/dbraw/zinc/25/81/94/802258194.db2.gz NAEWHYWCCXFFST-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001116643452 802392038 /nfs/dbraw/zinc/39/20/38/802392038.db2.gz PAVUMXZRLDFLEI-GXTWGEPZSA-N 0 3 251.757 3.118 20 30 CGEDHN C#CC[C@@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC001201522999 811882205 /nfs/dbraw/zinc/88/22/05/811882205.db2.gz ZNLHJHQUUPGNMM-OAHLLOKOSA-N 0 3 291.354 3.123 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cccnc1C ZINC001121983803 802855082 /nfs/dbraw/zinc/85/50/82/802855082.db2.gz VARPNSSOZNDLBX-CQSZACIVSA-N 0 3 277.412 3.406 20 30 CGEDHN CC1(c2ccccc2C(=O)C(C#N)c2ccncn2)CC1 ZINC001122921877 802894181 /nfs/dbraw/zinc/89/41/81/802894181.db2.gz AMOMNFJJIAFDEG-ZDUSSCGKSA-N 0 3 277.327 3.018 20 30 CGEDHN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001123475653 802947368 /nfs/dbraw/zinc/94/73/68/802947368.db2.gz GFYLWWHWVCQYNW-USWWRNFRSA-N 0 3 278.302 3.362 20 30 CGEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC001132241091 803385016 /nfs/dbraw/zinc/38/50/16/803385016.db2.gz QOGBZOFFXMKSHY-LSDHHAIUSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132273354 803390715 /nfs/dbraw/zinc/39/07/15/803390715.db2.gz FKXZKHKBFKGYJY-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCCNCc1cccc(Cl)c1 ZINC001132668062 803425849 /nfs/dbraw/zinc/42/58/49/803425849.db2.gz ZVJCJORZDVILAA-CYBMUJFWSA-N 0 3 294.826 3.148 20 30 CGEDHN COc1ccc(-c2cc(N3CCCC3)ccn2)cc1C#N ZINC001244707556 803507511 /nfs/dbraw/zinc/50/75/11/803507511.db2.gz OMQODOHMTDMMOD-UHFFFAOYSA-N 0 3 279.343 3.229 20 30 CGEDHN N#CCOc1ccc(CN2CC3(C2)CCCCC3)cc1 ZINC001137121311 803684908 /nfs/dbraw/zinc/68/49/08/803684908.db2.gz CZDZLJBVQYYENQ-UHFFFAOYSA-N 0 3 270.376 3.355 20 30 CGEDHN CCCCCCCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC001137583423 803742709 /nfs/dbraw/zinc/74/27/09/803742709.db2.gz IFVRDGJCROTUNW-MRXNPFEDSA-N 0 3 280.456 3.480 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc(-c3cncnc3)c2)C1 ZINC001137769031 803769566 /nfs/dbraw/zinc/76/95/66/803769566.db2.gz LOYYSJSSIBKXIH-OAHLLOKOSA-N 0 3 292.386 3.269 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)c(C)s1 ZINC001138570877 803971246 /nfs/dbraw/zinc/97/12/46/803971246.db2.gz ZPKHKVDRMHCROJ-ZDUSSCGKSA-N 0 3 279.430 3.139 20 30 CGEDHN Cc1cc(CN2CC[C@@H]3SC(=O)C=C3C2)c(C)s1 ZINC001138570877 803971252 /nfs/dbraw/zinc/97/12/52/803971252.db2.gz ZPKHKVDRMHCROJ-ZDUSSCGKSA-N 0 3 279.430 3.139 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@](C)(CF)C2)c1[O-] ZINC001138625242 803983918 /nfs/dbraw/zinc/98/39/18/803983918.db2.gz IKHTUXRWYHWLHV-INIZCTEOSA-N 0 3 263.356 3.302 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@](C)(CF)C2)c1[O-] ZINC001138625242 803983921 /nfs/dbraw/zinc/98/39/21/803983921.db2.gz IKHTUXRWYHWLHV-INIZCTEOSA-N 0 3 263.356 3.302 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(S)CC2)c1[O-] ZINC001138627560 803984154 /nfs/dbraw/zinc/98/41/54/803984154.db2.gz AIRJPKOQQVLNBU-UHFFFAOYSA-N 0 3 263.406 3.015 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001138882588 804062357 /nfs/dbraw/zinc/06/23/57/804062357.db2.gz KJOVLUBWMFCIPX-CYBMUJFWSA-N 0 3 298.365 3.341 20 30 CGEDHN N#Cc1cccc2c(CN3CCC4(CCCO4)CC3)c[nH]c21 ZINC001139703139 804261035 /nfs/dbraw/zinc/26/10/35/804261035.db2.gz KGAPSXXYIVPWIV-UHFFFAOYSA-N 0 3 295.386 3.185 20 30 CGEDHN CCCCCCC[C@H](CCC)N[C@H]1CNCCC1=O ZINC001246295065 804263895 /nfs/dbraw/zinc/26/38/95/804263895.db2.gz SMYGVUMWWYYXMK-GJZGRUSLSA-N 0 3 268.445 3.036 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)CCC1CCCCC1 ZINC001139865186 804299557 /nfs/dbraw/zinc/29/95/57/804299557.db2.gz ALLAALMHLULKEX-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN Cn1c(CN2CCC[C@H](C#N)CC2)cc2ccccc21 ZINC001139871849 804302318 /nfs/dbraw/zinc/30/23/18/804302318.db2.gz UDTWJQFNWSJMAS-AWEZNQCLSA-N 0 3 267.376 3.304 20 30 CGEDHN COc1ccccc1CCN(C)Cc1cc(F)cc(C#N)c1 ZINC001139875115 804305461 /nfs/dbraw/zinc/30/54/61/804305461.db2.gz GYRKVVKFQJNFFZ-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN N#Cc1cc(F)cc(CN2CC[C@@H](c3ccncc3)C2)c1 ZINC001139874589 804306383 /nfs/dbraw/zinc/30/63/83/804306383.db2.gz DJZHEZQQUHMXHV-MRXNPFEDSA-N 0 3 281.334 3.082 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2cncc3ccccc32)CC1 ZINC001139895169 804321023 /nfs/dbraw/zinc/32/10/23/804321023.db2.gz PLPMBKILXDARQA-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN Cc1ccc(CN2CCc3cc(C#N)ccc3C2)c(O)c1 ZINC001140948172 804556114 /nfs/dbraw/zinc/55/61/14/804556114.db2.gz WKCOPAFVJBLZKK-UHFFFAOYSA-N 0 3 278.355 3.131 20 30 CGEDHN C=CCCCCN(C)Cc1cc(F)cc2c1OCOC2 ZINC001141400049 804638519 /nfs/dbraw/zinc/63/85/19/804638519.db2.gz JPYRHRKRDCHNMN-UHFFFAOYSA-N 0 3 279.355 3.480 20 30 CGEDHN N#Cc1ccc2c(CN3CC[C@H]4OCCC[C@H]4C3)c[nH]c2c1 ZINC001142912004 804783687 /nfs/dbraw/zinc/78/36/87/804783687.db2.gz RGDQAZQWQPUSSV-KBXCAEBGSA-N 0 3 295.386 3.040 20 30 CGEDHN Cc1c(F)cc(F)cc1CN1CCC2SC(=O)C=C2C1 ZINC001143761716 804893050 /nfs/dbraw/zinc/89/30/50/804893050.db2.gz RQWYWWADEBKORF-AWEZNQCLSA-N 0 3 295.354 3.047 20 30 CGEDHN C=CCN(Cc1cnn2ccc(Cl)nc12)C(C)(C)C ZINC001248879051 805031725 /nfs/dbraw/zinc/03/17/25/805031725.db2.gz DTWQZIQTRVXBOD-UHFFFAOYSA-N 0 3 278.787 3.169 20 30 CGEDHN CN1CCc2ccc(Nc3ccccc3OCC#N)cc2C1 ZINC001212603721 815083078 /nfs/dbraw/zinc/08/30/78/815083078.db2.gz NUOBPJUQCAPYKH-UHFFFAOYSA-N 0 3 293.370 3.320 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001167025881 807131480 /nfs/dbraw/zinc/13/14/80/807131480.db2.gz PRGHVKODVTWYGM-OAHLLOKOSA-N 0 3 298.858 3.217 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(Nc2ccccc2)CC1 ZINC001168083508 807306895 /nfs/dbraw/zinc/30/68/95/807306895.db2.gz AISCBMMWXWTIIZ-OAHLLOKOSA-N 0 3 256.393 3.365 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)NC(=N)c1ccc(Cl)cn1 ZINC001168460148 807423936 /nfs/dbraw/zinc/42/39/36/807423936.db2.gz QHBHPFQPSIRTQD-JTQLQIEISA-N 0 3 291.757 3.211 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001258735997 807581968 /nfs/dbraw/zinc/58/19/68/807581968.db2.gz HXMWGVYFSGSBNU-WCQYABFASA-N 0 3 298.228 3.247 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC001258735690 807582512 /nfs/dbraw/zinc/58/25/12/807582512.db2.gz ZDWNMLZWCDIUFA-OAHLLOKOSA-N 0 3 286.419 3.366 20 30 CGEDHN C[C@H](N)c1ccn(-c2ccc(-c3ccc(C#N)o3)cc2)n1 ZINC001169232330 807609972 /nfs/dbraw/zinc/60/99/72/807609972.db2.gz DHONSBJYVYKDQQ-NSHDSACASA-N 0 3 278.315 3.024 20 30 CGEDHN C[C@@H](N)c1ccn(-c2ccc(C#C[Si](C)(C)C)cc2)n1 ZINC001169233433 807611467 /nfs/dbraw/zinc/61/14/67/807611467.db2.gz QKJRUJQHAFACLQ-CYBMUJFWSA-N 0 3 283.451 3.121 20 30 CGEDHN C[C@@H](N)c1nccn1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170355483 807828949 /nfs/dbraw/zinc/82/89/49/807828949.db2.gz GNYMZAXJDBFGLE-MXWWQKGMSA-N 0 3 294.402 3.479 20 30 CGEDHN C=CCC[C@@H](NCc1cnc(C)o1)[C@@]1(C)CCCCO1 ZINC001262160300 807829944 /nfs/dbraw/zinc/82/99/44/807829944.db2.gz AQWMYUUJUALVQJ-HZPDHXFCSA-N 0 3 278.396 3.367 20 30 CGEDHN CC(C)(C)OC[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC001262311061 807846696 /nfs/dbraw/zinc/84/66/96/807846696.db2.gz QFQMUHAMFGDFNH-GFCCVEGCSA-N 0 3 278.421 3.399 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001170885440 807926176 /nfs/dbraw/zinc/92/61/76/807926176.db2.gz KKDOBZVOISWRMK-CYBMUJFWSA-N 0 3 288.863 3.297 20 30 CGEDHN CCO[C@@H](C(=O)C(C#N)c1cccc(F)n1)c1ccccc1 ZINC001263378060 807948885 /nfs/dbraw/zinc/94/88/85/807948885.db2.gz URIFSXWQVYMTQZ-CXAGYDPISA-N 0 3 298.317 3.175 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001263616539 807978319 /nfs/dbraw/zinc/97/83/19/807978319.db2.gz YUQMQEMTWWSXTF-LJISPDSOSA-N 0 3 285.391 3.296 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccccc1C#N ZINC001171182512 808002426 /nfs/dbraw/zinc/00/24/26/808002426.db2.gz WSGLYNDILHEBPE-AWEZNQCLSA-N 0 3 275.355 3.151 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1[O-] ZINC001171230027 808013458 /nfs/dbraw/zinc/01/34/58/808013458.db2.gz RPTJKVFNUHQWGB-AWEZNQCLSA-N 0 3 280.371 3.327 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC001171230027 808013460 /nfs/dbraw/zinc/01/34/60/808013460.db2.gz RPTJKVFNUHQWGB-AWEZNQCLSA-N 0 3 280.371 3.327 20 30 CGEDHN CCN(Cc1occc1C)C[C@@H](O)c1cccc(C#N)c1 ZINC001171240784 808015459 /nfs/dbraw/zinc/01/54/59/808015459.db2.gz VKAOCCHPQVMGIY-MRXNPFEDSA-N 0 3 284.359 3.015 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001171459168 808063990 /nfs/dbraw/zinc/06/39/90/808063990.db2.gz SKEHMGBFPLNTPN-QLFBSQMISA-N 0 3 279.424 3.252 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001265202031 808119591 /nfs/dbraw/zinc/11/95/91/808119591.db2.gz ZQEWBGCOZDURNX-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001265274262 808125988 /nfs/dbraw/zinc/12/59/88/808125988.db2.gz AORBEQYNWZESRC-KRWDZBQOSA-N 0 3 298.430 3.221 20 30 CGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001266299721 808238648 /nfs/dbraw/zinc/23/86/48/808238648.db2.gz XBDGEAYDAKAPTR-OAHLLOKOSA-N 0 3 290.407 3.139 20 30 CGEDHN CCCCCCC[C@H](CC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172347137 808245814 /nfs/dbraw/zinc/24/58/14/808245814.db2.gz RZWRZFGIFGOZTL-CABCVRRESA-N 0 3 281.444 3.227 20 30 CGEDHN C[C@H](CCCC#N)NCc1cc(O)ccc1Br ZINC001172487413 808348443 /nfs/dbraw/zinc/34/84/43/808348443.db2.gz HLOKVZGHVSZXOZ-SNVBAGLBSA-N 0 3 297.196 3.327 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001267104052 808358279 /nfs/dbraw/zinc/35/82/79/808358279.db2.gz LBOBUSTZXLOPPP-DLBZAZTESA-N 0 3 292.467 3.149 20 30 CGEDHN C[C@H](c1ccccc1)N1CCN([C@@H](C)CCCC#N)CC1 ZINC001172503156 808359003 /nfs/dbraw/zinc/35/90/03/808359003.db2.gz YGQAZLFOIIWADW-DLBZAZTESA-N 0 3 285.435 3.448 20 30 CGEDHN C[C@@H](CCCC#N)N1CCc2c(cnn2-c2ccccc2)C1 ZINC001172503346 808359086 /nfs/dbraw/zinc/35/90/86/808359086.db2.gz AFNFVTPNEIPVLW-HNNXBMFYSA-N 0 3 294.402 3.313 20 30 CGEDHN C#CCN(CCC)CCNC(=O)CC1CCC(C)(C)CC1 ZINC001267320206 808413146 /nfs/dbraw/zinc/41/31/46/808413146.db2.gz ASDYNUPHIJFJAQ-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)CCCCCC(C)C)C1 ZINC001267774293 808488657 /nfs/dbraw/zinc/48/86/57/808488657.db2.gz VYZYPGXMROVSIP-KRWDZBQOSA-N 0 3 292.467 3.149 20 30 CGEDHN CCCC[C@@H](CC(C)C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001173258288 808564756 /nfs/dbraw/zinc/56/47/56/808564756.db2.gz QJELOHUUNOYGMH-KBPBESRZSA-N 0 3 272.433 3.101 20 30 CGEDHN N#CCC1CCC(NCc2cc(F)cnc2Cl)CC1 ZINC001173334779 808616953 /nfs/dbraw/zinc/61/69/53/808616953.db2.gz XKCRDSVQBBMPCK-UHFFFAOYSA-N 0 3 281.762 3.436 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC1 ZINC001268935264 808636476 /nfs/dbraw/zinc/63/64/76/808636476.db2.gz RBINOBGIBDARLJ-IRXDYDNUSA-N 0 3 292.467 3.432 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001269186933 808653215 /nfs/dbraw/zinc/65/32/15/808653215.db2.gz KGVOPLAUQCQAQO-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccoc1CC ZINC001269229302 808657956 /nfs/dbraw/zinc/65/79/56/808657956.db2.gz GWAOWXUEBUSOKJ-KGLIPLIRSA-N 0 3 290.407 3.001 20 30 CGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001269306485 808668065 /nfs/dbraw/zinc/66/80/65/808668065.db2.gz DWFMJGLHMYAWLC-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN Cc1cnc(C#N)c(Nc2ccccc2CN(C)C)c1 ZINC001173930256 808769613 /nfs/dbraw/zinc/76/96/13/808769613.db2.gz RTRJTWGERMAAIQ-UHFFFAOYSA-N 0 3 266.348 3.067 20 30 CGEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C)c(C)c2)C1=O ZINC001272988250 808830098 /nfs/dbraw/zinc/83/00/98/808830098.db2.gz OQJGMZHRSWMLJH-IBGZPJMESA-N 0 3 298.430 3.056 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccccc1C1CCC1 ZINC001275986577 808982437 /nfs/dbraw/zinc/98/24/37/808982437.db2.gz LYJCCCQSSMQMLN-AWEZNQCLSA-N 0 3 286.419 3.190 20 30 CGEDHN CC#CCCCC(=O)NC[C@@H]1CCN1CCCC(C)(C)C ZINC001276910247 809043496 /nfs/dbraw/zinc/04/34/96/809043496.db2.gz XTKPZDOSQSHWKK-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NC[C@H](F)CC)CCCC1 ZINC001278035902 809113050 /nfs/dbraw/zinc/11/30/50/809113050.db2.gz VRUGWYNDLXIULA-HUUCEWRRSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001279644127 809176962 /nfs/dbraw/zinc/17/69/62/809176962.db2.gz NELSTUQVUJDKJR-OAHLLOKOSA-N 0 3 292.467 3.383 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001297373588 809516337 /nfs/dbraw/zinc/51/63/37/809516337.db2.gz YUOUGKAVPULXAN-MRXNPFEDSA-N 0 3 278.440 3.089 20 30 CGEDHN C#C[C@@H](NCc1cccc2c(OC)cccc12)[C@H]1CCCO1 ZINC001178528913 809874105 /nfs/dbraw/zinc/87/41/05/809874105.db2.gz SQWCWTHZYKKVHX-IEBWSBKVSA-N 0 3 295.382 3.119 20 30 CGEDHN N#Cc1cc(CNC[C@H](O)c2ccc(Cl)cc2)cs1 ZINC001178810785 809889848 /nfs/dbraw/zinc/88/98/48/809889848.db2.gz NUCMXDRBCIRNTM-AWEZNQCLSA-N 0 3 292.791 3.096 20 30 CGEDHN C=CC1(CC(=O)N2CC[C@H](NCCF)[C@@H]2C)CCCCC1 ZINC001179714696 809939582 /nfs/dbraw/zinc/93/95/82/809939582.db2.gz HXPDTBAOGSDSJP-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN(C(=O)[C@H]1CCCCN1CC)C1CCCCC1 ZINC001181993122 810088598 /nfs/dbraw/zinc/08/85/98/810088598.db2.gz AIBDVGIJVQMGLS-MRXNPFEDSA-N 0 3 278.440 3.208 20 30 CGEDHN C[C@H](CCc1ccc(F)cc1)NCC1(C#N)CCOCC1 ZINC001184279098 810188462 /nfs/dbraw/zinc/18/84/62/810188462.db2.gz XEYILYWVUWQOCZ-CQSZACIVSA-N 0 3 290.382 3.057 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001189780493 810589912 /nfs/dbraw/zinc/58/99/12/810589912.db2.gz XAUDKIXUQGFJDI-HRCADAONSA-N 0 3 292.467 3.168 20 30 CGEDHN CCC#C[C@H](C)N1CCC(Oc2ccccc2)CC1 ZINC001190503617 810631522 /nfs/dbraw/zinc/63/15/22/810631522.db2.gz VCQGJKGAIJMPNC-HNNXBMFYSA-N 0 3 257.377 3.332 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001192696111 810817116 /nfs/dbraw/zinc/81/71/16/810817116.db2.gz MIUKMLMVHACEBM-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCCCCCCN1CCOc2cc(O)ccc2C1 ZINC001194242828 811041144 /nfs/dbraw/zinc/04/11/44/811041144.db2.gz ZHLSWOUTFOWPTA-UHFFFAOYSA-N 0 3 273.376 3.170 20 30 CGEDHN C#CCCN1CCCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC001195982035 811307042 /nfs/dbraw/zinc/30/70/42/811307042.db2.gz MKOJBEMYDXTGFJ-KRWDZBQOSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CCC[C@@H](C2CCCCC2)C1 ZINC001196411197 811342040 /nfs/dbraw/zinc/34/20/40/811342040.db2.gz ZSCLWRACDAFYGX-HZPDHXFCSA-N 0 3 279.424 3.396 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@@H](F)CCCCCC)CC1 ZINC001197824237 811455490 /nfs/dbraw/zinc/45/54/90/811455490.db2.gz MEQQQGVVSZWUAS-INIZCTEOSA-N 0 3 298.446 3.405 20 30 CGEDHN C#C[C@@H]1CCCCN1Cc1cnc(N(C)C)c2ccccc12 ZINC001198525509 811511990 /nfs/dbraw/zinc/51/19/90/811511990.db2.gz NFJGCDVCWFVYCU-MRXNPFEDSA-N 0 3 293.414 3.289 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCC(C)C ZINC001198935365 811552306 /nfs/dbraw/zinc/55/23/06/811552306.db2.gz PUZLHMBRSQQVSB-UHFFFAOYSA-N 0 3 265.784 3.488 20 30 CGEDHN CCCCCCCCN1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001201839807 811969937 /nfs/dbraw/zinc/96/99/37/811969937.db2.gz JVTQAFSZNDFVRC-ILXRZTDVSA-N 0 3 267.413 3.373 20 30 CGEDHN CCCCCCCCCCN(C)CC(=O)NCC ZINC001201852507 811972829 /nfs/dbraw/zinc/97/28/29/811972829.db2.gz AVZAIOZTPQMNDP-UHFFFAOYSA-N 0 3 256.434 3.195 20 30 CGEDHN C=CCC1(NCc2nc(CO)cs2)CCCCC1 ZINC001202407271 812085168 /nfs/dbraw/zinc/08/51/68/812085168.db2.gz GNEZOVBPYYUYQY-UHFFFAOYSA-N 0 3 266.410 3.004 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(CC)cc1 ZINC001202946214 812207758 /nfs/dbraw/zinc/20/77/58/812207758.db2.gz MHCMBPCHOURVJV-INIZCTEOSA-N 0 3 287.407 3.021 20 30 CGEDHN N#Cc1ccc(CCNCc2c(F)cccc2F)cc1 ZINC001203114219 812243309 /nfs/dbraw/zinc/24/33/09/812243309.db2.gz ZXFRIUWJIKHSJQ-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)CCC1(F)F ZINC001203756936 812454777 /nfs/dbraw/zinc/45/47/77/812454777.db2.gz FPNGDIJPYSYVRI-GFCCVEGCSA-N 0 3 264.319 3.425 20 30 CGEDHN CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC001203764327 812457711 /nfs/dbraw/zinc/45/77/11/812457711.db2.gz MLGJADRWPXCPCC-UHFFFAOYSA-N 0 3 266.344 3.286 20 30 CGEDHN CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC001203764327 812457717 /nfs/dbraw/zinc/45/77/17/812457717.db2.gz MLGJADRWPXCPCC-UHFFFAOYSA-N 0 3 266.344 3.286 20 30 CGEDHN COc1cc(C)c(CN2CCC(C)(C#N)CC2)cc1C ZINC001203761139 812458388 /nfs/dbraw/zinc/45/83/88/812458388.db2.gz UONFIUQFGHSWIY-UHFFFAOYSA-N 0 3 272.392 3.438 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC001203904096 812487715 /nfs/dbraw/zinc/48/77/15/812487715.db2.gz VOERKVDMEAVROM-GOSISDBHSA-N 0 3 296.345 3.351 20 30 CGEDHN Cc1[nH]c2ccccc2c1CN1CCC(C#N)CC1 ZINC001204287222 812598057 /nfs/dbraw/zinc/59/80/57/812598057.db2.gz XXLPWEPLDHHRNG-UHFFFAOYSA-N 0 3 253.349 3.212 20 30 CGEDHN C#CC1CCN(Cc2cn(C(C)=O)c3ccccc23)CC1 ZINC001204412094 812632197 /nfs/dbraw/zinc/63/21/97/812632197.db2.gz JHGKVSHAZTVRIE-UHFFFAOYSA-N 0 3 280.371 3.147 20 30 CGEDHN C=CCN(Cc1c2ccccc2[nH]c1C(=O)OC)C(C)C ZINC001204441236 812640466 /nfs/dbraw/zinc/64/04/66/812640466.db2.gz HFVQJFFAGXYKEC-UHFFFAOYSA-N 0 3 286.375 3.351 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]2Cc2ccccn2)ccc1F ZINC001205479192 812989274 /nfs/dbraw/zinc/98/92/74/812989274.db2.gz VUODVOSFTCQPBG-KRWDZBQOSA-N 0 3 295.361 3.299 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)ccc2F)no1 ZINC001206094336 813197985 /nfs/dbraw/zinc/19/79/85/813197985.db2.gz IAANSLHKYNXLIN-UHFFFAOYSA-N 0 3 291.301 3.124 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(F)c(F)c2)no1 ZINC001206094915 813199475 /nfs/dbraw/zinc/19/94/75/813199475.db2.gz ZMHXFIOXTONMCY-UHFFFAOYSA-N 0 3 291.301 3.124 20 30 CGEDHN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCN1CCN(C)CC1 ZINC001206594931 813368445 /nfs/dbraw/zinc/36/84/45/813368445.db2.gz CUUIUAVZOMCLNO-BZSNNMDCSA-N 0 3 294.483 3.021 20 30 CGEDHN N#CC1CCN(CCc2ccc(Br)cc2)CC1 ZINC001207378607 813555114 /nfs/dbraw/zinc/55/51/14/813555114.db2.gz RSXZNGUFDARKPF-UHFFFAOYSA-N 0 3 293.208 3.227 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](CO)c2cc(F)ccc2F)C1 ZINC001207793627 813652437 /nfs/dbraw/zinc/65/24/37/813652437.db2.gz PHQAHSSOGGBAMO-AXAPSJFSSA-N 0 3 281.346 3.333 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001209422535 814024631 /nfs/dbraw/zinc/02/46/31/814024631.db2.gz DXZGYBBKQNCPPX-GJZGRUSLSA-N 0 3 294.439 3.426 20 30 CGEDHN C=CCCCCCCN(C)[C@H](C(=O)OC)C(C)C ZINC001209440298 814040036 /nfs/dbraw/zinc/04/00/36/814040036.db2.gz FUPGXFYUSKNGSC-AWEZNQCLSA-N 0 3 255.402 3.252 20 30 CGEDHN N#Cc1ccc(Nc2ccnc(C3CCC3)c2)cn1 ZINC001209560128 814082503 /nfs/dbraw/zinc/08/25/03/814082503.db2.gz ZODNEGRMPGDCSK-UHFFFAOYSA-N 0 3 250.305 3.359 20 30 CGEDHN Cc1[nH]ncc1CN(CCC#N)Cc1ccc(Cl)cc1 ZINC001209556846 814083648 /nfs/dbraw/zinc/08/36/48/814083648.db2.gz GANJDZVWXMIGKI-UHFFFAOYSA-N 0 3 288.782 3.287 20 30 CGEDHN CC(C)(C)c1cc(C#N)ccc1O[C@H]1CNCCC1(F)F ZINC001218447877 816217611 /nfs/dbraw/zinc/21/76/11/816217611.db2.gz MANOVWCIKCKUAA-AWEZNQCLSA-N 0 3 294.345 3.232 20 30 CGEDHN CCCCCCCCCCCN1CC2(C1)CNCCO2 ZINC001222441844 816446408 /nfs/dbraw/zinc/44/64/08/816446408.db2.gz UBFJEIQLYFQIMJ-UHFFFAOYSA-N 0 3 282.472 3.191 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001224913510 816909099 /nfs/dbraw/zinc/90/90/99/816909099.db2.gz DNXWJCANLDQAGV-OAHLLOKOSA-N 0 3 295.471 3.247 20 30 CGEDHN CCCc1cc(C)nc(O[C@@H]2CCCN(CC)C2)c1C#N ZINC001228600211 817950532 /nfs/dbraw/zinc/95/05/32/817950532.db2.gz ZMWRREAMKGMGLI-OAHLLOKOSA-N 0 3 287.407 3.077 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)cc1Cl ZINC001231420646 818093392 /nfs/dbraw/zinc/09/33/92/818093392.db2.gz CAXARLIJLQITOW-CQSZACIVSA-N 0 3 293.819 3.423 20 30 CGEDHN CO[C@@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577338 818125858 /nfs/dbraw/zinc/12/58/58/818125858.db2.gz SHCJMBGNATZPGC-HXUWFJFHSA-N 0 3 291.394 3.307 20 30 CGEDHN C#Cc1cccc(CN(C)Cc2ccc3c(c2)OCCO3)c1 ZINC001231657440 818150876 /nfs/dbraw/zinc/15/08/76/818150876.db2.gz KSIISTKEVWJGHO-UHFFFAOYSA-N 0 3 293.366 3.071 20 30 CGEDHN O=C1C=C2CN(Cc3ccsc3Cl)CCC2S1 ZINC001233056371 818514906 /nfs/dbraw/zinc/51/49/06/818514906.db2.gz NPPHNINEKQHEFX-SNVBAGLBSA-N 0 3 285.821 3.176 20 30 CGEDHN C[C@H]1CCCCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233096714 818521747 /nfs/dbraw/zinc/52/17/47/818521747.db2.gz KMPCAURLTZDBNU-ZDUSSCGKSA-N 0 3 289.398 3.385 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C\CCC ZINC001233966625 818742755 /nfs/dbraw/zinc/74/27/55/818742755.db2.gz NPYHIFBKDFNZOL-JJEJIETFSA-N 0 3 290.451 3.069 20 30 CGEDHN C=CC[C@@H](C=C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234241605 818813149 /nfs/dbraw/zinc/81/31/49/818813149.db2.gz UJDTVXRRGRGYNO-CYBMUJFWSA-N 0 3 279.355 3.405 20 30 CGEDHN CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1CC#N ZINC001235530199 819116343 /nfs/dbraw/zinc/11/63/43/819116343.db2.gz SKJFIZSNHIVTFS-UHFFFAOYSA-N 0 3 294.354 3.113 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001235794509 819168600 /nfs/dbraw/zinc/16/86/00/819168600.db2.gz CYHFBPIKKGGVFS-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN N#Cc1cc(-c2ccc(CN3CCCCC3)c(F)c2)ncn1 ZINC001236232387 819393066 /nfs/dbraw/zinc/39/30/66/819393066.db2.gz MVVCLBREPRQOBH-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCNC[C@H]2C(F)(F)F)CC1 ZINC001236975530 819640067 /nfs/dbraw/zinc/64/00/67/819640067.db2.gz JKXINXGIYFWUBJ-KGLIPLIRSA-N 0 3 288.357 3.125 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(C(F)F)c(OC)c2)C1 ZINC001237279042 819715127 /nfs/dbraw/zinc/71/51/27/819715127.db2.gz FVZGNGXGXFBQBB-GFCCVEGCSA-N 0 3 279.330 3.478 20 30 CGEDHN CC(C)N(CCCCCO)Cc1cc(C#N)c(F)cc1F ZINC001237539342 819774043 /nfs/dbraw/zinc/77/40/43/819774043.db2.gz YYVCZTXTPHUYBK-UHFFFAOYSA-N 0 3 296.361 3.209 20 30 CGEDHN CCCN(CCC)Cc1cc(C#N)c(F)cc1F ZINC001237531571 819774508 /nfs/dbraw/zinc/77/45/08/819774508.db2.gz IZFCQUHNFAQIKS-UHFFFAOYSA-N 0 3 252.308 3.458 20 30 CGEDHN C#CCN(C)Cc1cccc(-c2ccc(C(=O)OC)cc2)c1 ZINC001237815680 819851203 /nfs/dbraw/zinc/85/12/03/819851203.db2.gz FJYBITLCEUBFCY-UHFFFAOYSA-N 0 3 293.366 3.205 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN3CC(CC#N)C3)cc21 ZINC001237880119 819865882 /nfs/dbraw/zinc/86/58/82/819865882.db2.gz CTMMCYGCKHJDHA-UHFFFAOYSA-N 0 3 281.403 3.033 20 30 CGEDHN CCN(CCC#N)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237883977 819871007 /nfs/dbraw/zinc/87/10/07/819871007.db2.gz XXFFELDPGMHXFR-UHFFFAOYSA-N 0 3 283.419 3.423 20 30 CGEDHN N#C[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237948724 819892030 /nfs/dbraw/zinc/89/20/30/819892030.db2.gz HFKONPFDGSBLSJ-JTQLQIEISA-N 0 3 282.746 3.310 20 30 CGEDHN N#Cc1ncc(-c2cncc(CN3CCCCC3)c2)cc1F ZINC001238991661 820185375 /nfs/dbraw/zinc/18/53/75/820185375.db2.gz AEWGXWSIRICMBM-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN CCCCCCCNC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001239183649 820224960 /nfs/dbraw/zinc/22/49/60/820224960.db2.gz CAWCNKLBZZNUNI-LBPRGKRZSA-N 0 3 294.399 3.191 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001338902047 936338553 /nfs/dbraw/zinc/33/85/53/936338553.db2.gz JPKDQKXPLMRSAB-WBVHZDCISA-N 0 3 286.419 3.122 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC001342283828 936464047 /nfs/dbraw/zinc/46/40/47/936464047.db2.gz GNHYUXTVQCPWTQ-TZMCWYRMSA-N 0 3 292.448 3.341 20 30 CGEDHN CN(CCc1cccs1)Cc1csc(C#N)c1 ZINC001342865094 936481697 /nfs/dbraw/zinc/48/16/97/936481697.db2.gz XPVHSMPXHQJVDU-UHFFFAOYSA-N 0 3 262.403 3.356 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C)(C)C1CC1 ZINC001347336928 936880113 /nfs/dbraw/zinc/88/01/13/936880113.db2.gz AGARUCSRAPELTH-SNVBAGLBSA-N 0 3 279.771 3.076 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCC(C)(C)C ZINC001349701669 936958494 /nfs/dbraw/zinc/95/84/94/936958494.db2.gz IQJIMZLTDVACPG-SNVBAGLBSA-N 0 3 281.787 3.466 20 30 CGEDHN C=CCC1(C(=O)N(C)CCNC[C@H](F)CC)CCCCC1 ZINC001481319168 926954501 /nfs/dbraw/zinc/95/45/01/926954501.db2.gz UJAKIYOKUHONPI-OAHLLOKOSA-N 0 3 298.446 3.309 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@H](C)CC)C1CC1 ZINC001481927332 927113285 /nfs/dbraw/zinc/11/32/85/927113285.db2.gz OGRVYOJKRHOYKB-ABAIWWIYSA-N 0 3 286.847 3.050 20 30 CGEDHN N#CC(C(=O)C1CCCC1)c1nccn1Cc1ccccc1 ZINC001357528059 937174123 /nfs/dbraw/zinc/17/41/23/937174123.db2.gz WCDKVHYGLOCURW-MRXNPFEDSA-N 0 3 293.370 3.298 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC ZINC001483824841 927630076 /nfs/dbraw/zinc/63/00/76/927630076.db2.gz QWGCRKMVJRLLNM-IYBDPMFKSA-N 0 3 292.467 3.454 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)/C=C(\C)CC)cc1 ZINC001484559268 927720160 /nfs/dbraw/zinc/72/01/60/927720160.db2.gz OYWZNABKLBZMAM-MDJJKAFGSA-N 0 3 298.430 3.333 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)CC)cc1 ZINC001484560497 927721691 /nfs/dbraw/zinc/72/16/91/927721691.db2.gz ZEZMCLRPEYEFBW-GJZGRUSLSA-N 0 3 286.419 3.023 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001484720874 927744650 /nfs/dbraw/zinc/74/46/50/927744650.db2.gz WJGIFCDQKSLOJV-AJNJCKRNSA-N 0 3 298.858 3.312 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)CCCC(C)C)C(C)(C)C1 ZINC001484941344 927773318 /nfs/dbraw/zinc/77/33/18/927773318.db2.gz ZTMPSMMUPJOTIA-INIZCTEOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CCC(=O)Nc1ccc(CN(C)C)cc1OC ZINC001358287545 937192881 /nfs/dbraw/zinc/19/28/81/937192881.db2.gz NPDLRDWIHUEHKI-UHFFFAOYSA-N 0 3 276.380 3.052 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)CCCC)CCC[C@H]12 ZINC001486152097 927989704 /nfs/dbraw/zinc/98/97/04/927989704.db2.gz NUVYZQBWKWKYFF-HLLBOEOZSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001317557656 928277242 /nfs/dbraw/zinc/27/72/42/928277242.db2.gz GMTQCSZBKZJHQD-HUUCEWRRSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC001490289625 928340412 /nfs/dbraw/zinc/34/04/12/928340412.db2.gz QKHDSRUSMNSODX-ZFWWWQNUSA-N 0 3 298.858 3.288 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001490789875 928390090 /nfs/dbraw/zinc/39/00/90/928390090.db2.gz SGDKLHOJPRWVLX-HRCADAONSA-N 0 3 278.440 3.064 20 30 CGEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C#N)ccn2)C1 ZINC001459554116 937491686 /nfs/dbraw/zinc/49/16/86/937491686.db2.gz AFZVVOZHPZOZPY-HUUCEWRRSA-N 0 3 275.421 3.059 20 30 CGEDHN C#CCCN(CCOC)CCSc1cccc(Cl)c1 ZINC001460513696 937533898 /nfs/dbraw/zinc/53/38/98/937533898.db2.gz XJOBUNYVNLBPTA-UHFFFAOYSA-N 0 3 297.851 3.404 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC001158456781 931980297 /nfs/dbraw/zinc/98/02/97/931980297.db2.gz BQZGBIMFZYSRJX-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN CCc1cc(Nc2ccc(C#N)cc2Cl)ccn1 ZINC001213993953 932014258 /nfs/dbraw/zinc/01/42/58/932014258.db2.gz IWDBYQJTTSZDEF-UHFFFAOYSA-N 0 3 257.724 3.335 20 30 CGEDHN C[C@H](C#C[Si](C)(C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228945875 932056554 /nfs/dbraw/zinc/05/65/54/932056554.db2.gz WQEJXMDLDLGKQJ-CQSZACIVSA-N 0 3 287.479 3.323 20 30 CGEDHN C#C[C@H]1CCC[C@H]1Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301956 932128724 /nfs/dbraw/zinc/12/87/24/932128724.db2.gz FASHZAIWQNRTID-KBXCAEBGSA-N 0 3 285.387 3.002 20 30 CGEDHN C=CC[C@@H](NCc1cnc2ccc(C)cn12)c1ccncc1 ZINC001461217377 937570444 /nfs/dbraw/zinc/57/04/44/937570444.db2.gz DITRLGRMQLSQTR-QGZVFWFLSA-N 0 3 292.386 3.445 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001229583475 932175758 /nfs/dbraw/zinc/17/57/58/932175758.db2.gz LQMNZEPDRWUKFU-KBPBESRZSA-N 0 3 280.456 3.071 20 30 CGEDHN C#Cc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 ZINC001461515433 937584237 /nfs/dbraw/zinc/58/42/37/937584237.db2.gz WVZLVSRANXDPJB-UHFFFAOYSA-N 0 3 293.395 3.409 20 30 CGEDHN C[N@@H+]1CC[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229933015 932505004 /nfs/dbraw/zinc/50/50/04/932505004.db2.gz KZGCKKUCNZDIHC-UZUMKDMXSA-N 0 3 296.370 3.226 20 30 CGEDHN C[N@H+]1CC[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229933015 932505010 /nfs/dbraw/zinc/50/50/10/932505010.db2.gz KZGCKKUCNZDIHC-UZUMKDMXSA-N 0 3 296.370 3.226 20 30 CGEDHN C#CCN(CC)Cc1ccccc1CC(F)(F)F ZINC001461985533 937608071 /nfs/dbraw/zinc/60/80/71/937608071.db2.gz GTVWDYDCAGNIAZ-UHFFFAOYSA-N 0 3 255.283 3.247 20 30 CGEDHN CC#CCCNCc1cc(Cl)ccc1OCC ZINC001462025171 937613335 /nfs/dbraw/zinc/61/33/35/937613335.db2.gz YPUUBJFZDDHMSE-UHFFFAOYSA-N 0 3 251.757 3.242 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230809531 932625812 /nfs/dbraw/zinc/62/58/12/932625812.db2.gz GESMLSCYNXNVMK-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C#Cc1ccc(-c2cc(OC3CCN(C)CC3)ccn2)cc1 ZINC001242293697 932703332 /nfs/dbraw/zinc/70/33/32/932703332.db2.gz OFHPHZYSLSFNMK-UHFFFAOYSA-N 0 3 292.382 3.203 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001316601112 932745492 /nfs/dbraw/zinc/74/54/92/932745492.db2.gz OKNKXXDSQIAKHS-FDMDGMSGSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001316601087 932745712 /nfs/dbraw/zinc/74/57/12/932745712.db2.gz OGUHZNPPZXUGDG-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1CC=CC1 ZINC001492144640 932806357 /nfs/dbraw/zinc/80/63/57/932806357.db2.gz YVLCJHIQFHAPKS-HNNXBMFYSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC2CCC1CC2 ZINC001492133780 932808454 /nfs/dbraw/zinc/80/84/54/932808454.db2.gz RBZOKTIJAAPTIB-XSCHDIRWSA-N 0 3 298.858 3.050 20 30 CGEDHN C#CCN(Cc1ccc(C(=O)OC(C)(C)C)cc1)CC1CC1 ZINC001307589234 932972521 /nfs/dbraw/zinc/97/25/21/932972521.db2.gz UGENPEBDLYJYDS-UHFFFAOYSA-N 0 3 299.414 3.487 20 30 CGEDHN C=CCCCN(CC)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC001308134906 933055785 /nfs/dbraw/zinc/05/57/85/933055785.db2.gz UKEXYXKBGLESBO-CQSZACIVSA-N 0 3 292.398 3.291 20 30 CGEDHN C#Cc1ccc(CNCc2cc(C)nc(Cl)c2)cc1 ZINC001308773830 933173846 /nfs/dbraw/zinc/17/38/46/933173846.db2.gz OGUMWLGZXQVGQO-UHFFFAOYSA-N 0 3 270.763 3.315 20 30 CGEDHN C=CCN(C)CCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001317475986 933227860 /nfs/dbraw/zinc/22/78/60/933227860.db2.gz OHJPSZRZLXUCPS-UHFFFAOYSA-N 0 3 284.403 3.102 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)N(CCN(C)C)CC(C)C ZINC001313239908 933436441 /nfs/dbraw/zinc/43/64/41/933436441.db2.gz PQFCORDNRWXDJO-UHFFFAOYSA-N 0 3 297.487 3.208 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCC)C2)CCCC1 ZINC001316951665 933461053 /nfs/dbraw/zinc/46/10/53/933461053.db2.gz CDDZMYCEYKUISA-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001317081560 933469527 /nfs/dbraw/zinc/46/95/27/933469527.db2.gz QELCCZCYSBAYRU-UBHSHLNASA-N 0 3 286.847 3.048 20 30 CGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001316968264 933503793 /nfs/dbraw/zinc/50/37/93/933503793.db2.gz CGPJWRBHIJYYFE-CQSZACIVSA-N 0 3 278.396 3.054 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCCC ZINC001317042463 933517984 /nfs/dbraw/zinc/51/79/84/933517984.db2.gz IFQVXPBZOONHKL-ZACQAIPSSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001317502894 933605458 /nfs/dbraw/zinc/60/54/58/933605458.db2.gz LFXGQNLPFJIMKF-ZBFHGGJFSA-N 0 3 284.419 3.062 20 30 CGEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001318210301 933697643 /nfs/dbraw/zinc/69/76/43/933697643.db2.gz XGQIMBZDZCERLS-IRXDYDNUSA-N 0 3 290.451 3.045 20 30 CGEDHN C[C@@H](COc1ccccc1F)NCc1ccc(C#N)s1 ZINC001319834296 933941309 /nfs/dbraw/zinc/94/13/09/933941309.db2.gz PNMXBPJTEUWFIF-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc2c(c1)CCC(C)(C)O2 ZINC001320294074 934028554 /nfs/dbraw/zinc/02/85/54/934028554.db2.gz JBYRDIKQWBZULI-HNNXBMFYSA-N 0 3 275.392 3.081 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1cccc(-c2ccoc2)c1 ZINC001492490665 934132682 /nfs/dbraw/zinc/13/26/82/934132682.db2.gz QMYICFNXDVVZGP-UHFFFAOYSA-N 0 3 298.386 3.184 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC001320998574 934132750 /nfs/dbraw/zinc/13/27/50/934132750.db2.gz DPLLQMWSAPXIGX-WBMJQRKESA-N 0 3 275.392 3.208 20 30 CGEDHN C[NH+](C)[C@@H]1CCCC[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC001321695655 934205025 /nfs/dbraw/zinc/20/50/25/934205025.db2.gz TYELRMUAIUMLKL-DPOBWDHUSA-N 0 3 280.799 3.337 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)CC1CC1 ZINC001324704607 934552193 /nfs/dbraw/zinc/55/21/93/934552193.db2.gz NQABDGGUJFGYEX-HNNXBMFYSA-N 0 3 297.320 3.084 20 30 CGEDHN CC[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC001473402817 937805016 /nfs/dbraw/zinc/80/50/16/937805016.db2.gz MZUOWPXBLZCRMW-WCQYABFASA-N 0 3 273.336 3.087 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)[C@H](CO)CC(C)(C)C ZINC001473475289 937808002 /nfs/dbraw/zinc/80/80/02/937808002.db2.gz CPTFLJKPUSHDAA-HNNXBMFYSA-N 0 3 293.838 3.420 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)CCC ZINC001326449405 934981243 /nfs/dbraw/zinc/98/12/43/934981243.db2.gz LADMPVDUZXTJMX-HNNXBMFYSA-N 0 3 288.435 3.357 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001328912026 935174386 /nfs/dbraw/zinc/17/43/86/935174386.db2.gz POEULHLZSNSXOZ-MOKVOYLWSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@](C)(C=C)CC ZINC001329937075 935256528 /nfs/dbraw/zinc/25/65/28/935256528.db2.gz KSDOFIQJJXBRNQ-NVXWUHKLSA-N 0 3 278.440 3.136 20 30 CGEDHN CCc1ccc([C@H](COC)NCC2CCC(C#N)CC2)o1 ZINC001332868242 935492842 /nfs/dbraw/zinc/49/28/42/935492842.db2.gz VCAOAEACUQVEAM-XUJLQICISA-N 0 3 290.407 3.449 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CN1CC(C)(C)C1(C)C ZINC001474369284 937854478 /nfs/dbraw/zinc/85/44/78/937854478.db2.gz IFJKLNXZFCYOAC-UHFFFAOYSA-N 0 3 271.408 3.245 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)CC(C)C)[C@H]1CC ZINC001479644865 937923245 /nfs/dbraw/zinc/92/32/45/937923245.db2.gz HOICSKNDFPFRIA-OWCLPIDISA-N 0 3 280.456 3.214 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001480728586 937942861 /nfs/dbraw/zinc/94/28/61/937942861.db2.gz TVZRJFLGNBIQOO-IAGOWNOFSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1CC1 ZINC001493372547 937950197 /nfs/dbraw/zinc/95/01/97/937950197.db2.gz MUBHLTFWDOWTCJ-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CCC)C(C)C ZINC001494674321 937955812 /nfs/dbraw/zinc/95/58/12/937955812.db2.gz FSGNQNLTZHTTGL-YESZJQIVSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001499123913 937972860 /nfs/dbraw/zinc/97/28/60/937972860.db2.gz FQFWFQUMPHHQPN-LSDHHAIUSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001500258539 937976750 /nfs/dbraw/zinc/97/67/50/937976750.db2.gz UPJOHRQEBXPFOE-XJKSGUPXSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001501427613 937979487 /nfs/dbraw/zinc/97/94/87/937979487.db2.gz URWWIMRZEFUUNS-JKSUJKDBSA-N 0 3 278.440 3.066 20 30 CGEDHN CC(C)N1Cc2ccc(CNC(=O)C#CC(C)(C)C)cc2C1 ZINC001502648479 937982812 /nfs/dbraw/zinc/98/28/12/937982812.db2.gz NSFZOZDWYVEXFB-UHFFFAOYSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc2sccc2c1 ZINC001506032208 937988872 /nfs/dbraw/zinc/98/88/72/937988872.db2.gz KKJRKDABVJPEHO-GFCCVEGCSA-N 0 3 288.416 3.137 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001507379286 937995687 /nfs/dbraw/zinc/99/56/87/937995687.db2.gz AWBSFYLFCNHMSB-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN N#CC(C(=O)C[C@H]1CC=CCC1)c1cccc(F)n1 ZINC001524969375 938046907 /nfs/dbraw/zinc/04/69/07/938046907.db2.gz CYOPVFITPDAGHJ-NWDGAFQWSA-N 0 3 258.296 3.143 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCCC1(C)C ZINC001526593682 938056624 /nfs/dbraw/zinc/05/66/24/938056624.db2.gz IUAWGSFGVMHALV-OLZOCXBDSA-N 0 3 273.380 3.296 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCCC1 ZINC001543946266 938142510 /nfs/dbraw/zinc/14/25/10/938142510.db2.gz VYAQXRFHJFERGW-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C#C[C@H](C)N(C)Cc1c(C)cc(C)c(COC)c1C ZINC001560793471 938275978 /nfs/dbraw/zinc/27/59/78/938275978.db2.gz PZBLYOOABPKWMM-AWEZNQCLSA-N 0 3 259.393 3.212 20 30 CGEDHN C#C[C@H]1CCCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC001560906477 938283293 /nfs/dbraw/zinc/28/32/93/938283293.db2.gz KYYLIAREENTFCT-AGLBCWCQSA-N 0 3 261.315 3.323 20 30 CGEDHN Cc1ccc(CNCc2ccc(O)c(F)c2)cc1C#N ZINC001561003109 938288868 /nfs/dbraw/zinc/28/88/68/938288868.db2.gz VREUEUULOILWRF-UHFFFAOYSA-N 0 3 270.307 3.001 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1cccc(C(C)(C)C)c1 ZINC001480925697 957695530 /nfs/dbraw/zinc/69/55/30/957695530.db2.gz IRQCQQUBIMCLOR-UHFFFAOYSA-N 0 3 288.435 3.222 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC001574851417 960472219 /nfs/dbraw/zinc/47/22/19/960472219.db2.gz FFNGQUSDBNNUOD-LSDHHAIUSA-N 0 3 298.858 3.322 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CCC)CC(C)C)[C@H]1C ZINC001566114900 960879429 /nfs/dbraw/zinc/87/94/29/960879429.db2.gz ANVAYIYGCHUDRA-IKGGRYGDSA-N 0 3 292.467 3.051 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(CC)CC)CC(C)(C)C1 ZINC001566132039 960890283 /nfs/dbraw/zinc/89/02/83/960890283.db2.gz UYTZOTFJOISBSB-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC(C)C ZINC001566756066 961003028 /nfs/dbraw/zinc/00/30/28/961003028.db2.gz BNTLFLQPVNGXLM-ZACQAIPSSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CC1(C)CCCC1 ZINC001567214289 961146350 /nfs/dbraw/zinc/14/63/50/961146350.db2.gz PXCHEFCRCHAVJO-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001567296847 961264571 /nfs/dbraw/zinc/26/45/71/961264571.db2.gz BOLKLLJGGFFZNZ-UHFFFAOYSA-N 0 3 288.435 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)/C=C(\C)CC)C1 ZINC001567683738 961390173 /nfs/dbraw/zinc/39/01/73/961390173.db2.gz ZNQNHLWYRUASEE-SFKKXYGYSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001567937083 961460161 /nfs/dbraw/zinc/46/01/61/961460161.db2.gz CXRGMEXUONJANS-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1F ZINC001569060862 961683249 /nfs/dbraw/zinc/68/32/49/961683249.db2.gz WBJCXBZNWZRLCW-KBPBESRZSA-N 0 3 292.398 3.337 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001569346081 961738492 /nfs/dbraw/zinc/73/84/92/961738492.db2.gz AXIOKEOTGGSMMV-DOMZBBRYSA-N 0 3 290.407 3.055 20 30 CGEDHN C#CCN1CCC(C)(CNC(=O)[C@H](CC)CCCC)CC1 ZINC001569697483 961829690 /nfs/dbraw/zinc/82/96/90/961829690.db2.gz GVGHZVLLSNHJPP-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)C2CCC2)cc1 ZINC001570031267 961886218 /nfs/dbraw/zinc/88/62/18/961886218.db2.gz KPXDCUNIJSWMQR-HUUCEWRRSA-N 0 3 298.430 3.023 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001570395774 961958775 /nfs/dbraw/zinc/95/87/75/961958775.db2.gz QGAAMSFLZAEHDT-KBPBESRZSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccccc1C(C)C ZINC001570714829 962059160 /nfs/dbraw/zinc/05/91/60/962059160.db2.gz XNQPZBUQEHTPLA-AWEZNQCLSA-N 0 3 274.408 3.046 20 30 CGEDHN C=CCCC(=O)N(CCN(C)Cc1ccccc1)C(C)C ZINC001571610488 962189692 /nfs/dbraw/zinc/18/96/92/962189692.db2.gz RVGPYMXGAMPPNT-UHFFFAOYSA-N 0 3 288.435 3.322 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001571565062 962190478 /nfs/dbraw/zinc/19/04/78/962190478.db2.gz QFIDEHRWZOTCFO-KBPBESRZSA-N 0 3 298.446 3.163 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@]1(C)CCCc2ccccc21 ZINC001574902564 962327446 /nfs/dbraw/zinc/32/74/46/962327446.db2.gz CKGIEHUCSLDXST-FUHWJXTLSA-N 0 3 286.419 3.038 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)C1CCCCCCC1 ZINC001574901183 962334210 /nfs/dbraw/zinc/33/42/10/962334210.db2.gz BFECYOBGBMXMKH-HNNXBMFYSA-N 0 3 266.429 3.241 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NC1CC2(CSC2)C1 ZINC001577430031 962548256 /nfs/dbraw/zinc/54/82/56/962548256.db2.gz JWQWAYIMUCVDAZ-AWEZNQCLSA-N 0 3 298.496 3.076 20 30 CGEDHN C=CCCCCC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588593371 963287707 /nfs/dbraw/zinc/28/77/07/963287707.db2.gz CVZIYSIIMNSLIM-AWEZNQCLSA-N 0 3 299.422 3.481 20 30 CGEDHN C=CCCCCC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588593371 963287719 /nfs/dbraw/zinc/28/77/19/963287719.db2.gz CVZIYSIIMNSLIM-AWEZNQCLSA-N 0 3 299.422 3.481 20 30 CGEDHN C=CCN1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000620936008 349435390 /nfs/dbraw/zinc/43/53/90/349435390.db2.gz GSYRDZNAGZJBTL-AWEZNQCLSA-N 0 3 256.393 3.088 20 30 CGEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000298419060 260153298 /nfs/dbraw/zinc/15/32/98/260153298.db2.gz FUFCSNOVXVEUAR-UHFFFAOYSA-N 0 3 296.773 3.151 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000589996707 346820848 /nfs/dbraw/zinc/82/08/48/346820848.db2.gz DEHHUKPWQMQPSC-LSDHHAIUSA-N 0 3 276.330 3.344 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651761486 398284478 /nfs/dbraw/zinc/28/44/78/398284478.db2.gz UCRZQDACAHTAGK-RHSMWYFYSA-N 0 3 282.387 3.336 20 30 CGEDHN C[C@H](CCC#N)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000591022453 346895388 /nfs/dbraw/zinc/89/53/88/346895388.db2.gz PFNKJLQLDUZYDM-CQSZACIVSA-N 0 3 290.382 3.499 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)cc1C ZINC000591044254 346897168 /nfs/dbraw/zinc/89/71/68/346897168.db2.gz PYFGYSVDBWPIRV-MOPGFXCFSA-N 0 3 292.382 3.269 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](C3CCC3)C2)ccc1F ZINC000591061906 346897342 /nfs/dbraw/zinc/89/73/42/346897342.db2.gz NINUMTFZEBGIIP-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C2CCC2)C1 ZINC000591062255 346898162 /nfs/dbraw/zinc/89/81/62/346898162.db2.gz ZRXWONHXSRGBDD-CJNGLKHVSA-N 0 3 297.402 3.007 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cccc(Cl)c3C2)CCC1 ZINC000591357682 346917064 /nfs/dbraw/zinc/91/70/64/346917064.db2.gz KHKYEIKUEKKCSN-CYBMUJFWSA-N 0 3 274.795 3.481 20 30 CGEDHN C=CCC[C@H](CCC)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623233136 349769700 /nfs/dbraw/zinc/76/97/00/349769700.db2.gz OFXJSIIHUOEKPH-DOTOQJQBSA-N 0 3 286.419 3.424 20 30 CGEDHN C=C(CC)CNCc1ccc(F)c(F)c1N(C)C ZINC000623542965 349830266 /nfs/dbraw/zinc/83/02/66/349830266.db2.gz YRDGFFDNWJIIQH-UHFFFAOYSA-N 0 3 254.324 3.087 20 30 CGEDHN CCS[C@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000592108075 346963370 /nfs/dbraw/zinc/96/33/70/346963370.db2.gz SLIMHAVHOZSHOF-GJZGRUSLSA-N 0 3 275.421 3.107 20 30 CGEDHN CC[C@H](C)[C@H]1CCCCN1Cc1ccncc1C#N ZINC000592072543 346960509 /nfs/dbraw/zinc/96/05/09/346960509.db2.gz PQYIJRYFIZQRDJ-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN C=C(C)COc1cc(CNC/C=C\C)ccc1OC ZINC000623739069 349874038 /nfs/dbraw/zinc/87/40/38/349874038.db2.gz HMPKCAYFOLMMBB-WAYWQWQTSA-N 0 3 261.365 3.316 20 30 CGEDHN N#Cc1ccc(CN(CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000593016193 347028025 /nfs/dbraw/zinc/02/80/25/347028025.db2.gz KRLBCOTUSUXMCR-UHFFFAOYSA-N 0 3 285.347 3.088 20 30 CGEDHN C[C@H](O)CN(Cc1ccc(C#N)s1)C1CCCCC1 ZINC000130708471 290082906 /nfs/dbraw/zinc/08/29/06/290082906.db2.gz BFCUOXUNXUYSSC-LBPRGKRZSA-N 0 3 278.421 3.135 20 30 CGEDHN C[C@H](N[C@H]1CNc2ccccc2C1)c1ccc(C#N)cc1F ZINC000593319576 347062538 /nfs/dbraw/zinc/06/25/38/347062538.db2.gz NYGIUZWJVYXLBP-SWLSCSKDSA-N 0 3 295.361 3.385 20 30 CGEDHN CN(CCCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000053139082 345115519 /nfs/dbraw/zinc/11/55/19/345115519.db2.gz BASQWNHQISEJML-UHFFFAOYSA-N 0 3 271.408 3.412 20 30 CGEDHN CN(CCCC#N)CCCOc1cccc(Cl)c1 ZINC000052458101 345104315 /nfs/dbraw/zinc/10/43/15/345104315.db2.gz AQMOJKPYDQWLOK-UHFFFAOYSA-N 0 3 266.772 3.344 20 30 CGEDHN C=C(C)CN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000053099147 345114614 /nfs/dbraw/zinc/11/46/14/345114614.db2.gz FNNCWQIKXXVWIX-HNNXBMFYSA-N 0 3 261.365 3.417 20 30 CGEDHN CCN1CCC[C@H](Nc2cc(C#N)c3ccccc3n2)C1 ZINC000068770165 345361804 /nfs/dbraw/zinc/36/18/04/345361804.db2.gz XOGQXJGPXKJJKN-AWEZNQCLSA-N 0 3 280.375 3.003 20 30 CGEDHN CCN(CCn1nc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000068809208 345364122 /nfs/dbraw/zinc/36/41/22/345364122.db2.gz MBNXOIMCIZCOCS-INIZCTEOSA-N 0 3 296.418 3.455 20 30 CGEDHN N#CCSCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000072513391 345411087 /nfs/dbraw/zinc/41/10/87/345411087.db2.gz FDDMRQHSMWTPOG-QGZVFWFLSA-N 0 3 297.427 3.407 20 30 CGEDHN C=CCCCN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000076490138 345544632 /nfs/dbraw/zinc/54/46/32/345544632.db2.gz WPBKHPXUZXKBBU-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN N#Cc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000077466769 345573947 /nfs/dbraw/zinc/57/39/47/345573947.db2.gz BVENPCBOOQMOPN-SFHVURJKSA-N 0 3 280.371 3.162 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc(C)cs1 ZINC000623977212 349934133 /nfs/dbraw/zinc/93/41/33/349934133.db2.gz KPUPPFHOSGCPAF-AVGNSLFASA-N 0 3 266.410 3.083 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nc(C)cs1 ZINC000623977211 349933949 /nfs/dbraw/zinc/93/39/49/349933949.db2.gz KPUPPFHOSGCPAF-AGIUHOORSA-N 0 3 266.410 3.083 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000171826408 346211305 /nfs/dbraw/zinc/21/13/05/346211305.db2.gz MVSKJKBQGRDGDB-UHFFFAOYSA-N 0 3 290.363 3.009 20 30 CGEDHN C=CCCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000172173357 346216614 /nfs/dbraw/zinc/21/66/14/346216614.db2.gz GJWDXSNKLWPXEP-UHFFFAOYSA-N 0 3 261.365 3.028 20 30 CGEDHN C[C@@H](NCc1ccc(Cl)cc1C#N)C1CCOCC1 ZINC000187432658 232432948 /nfs/dbraw/zinc/43/29/48/232432948.db2.gz NVMGAVBVGYNWSI-LLVKDONJSA-N 0 3 278.783 3.116 20 30 CGEDHN COC[C@@H](CC(C)(C)C)NCc1ccc(C#N)cc1 ZINC000593590015 347092672 /nfs/dbraw/zinc/09/26/72/347092672.db2.gz WVYYWGANTQXGDL-OAHLLOKOSA-N 0 3 260.381 3.099 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(C)cc1Cl ZINC000320727212 346489861 /nfs/dbraw/zinc/48/98/61/346489861.db2.gz JPRCYJDVURRZBY-ZDUSSCGKSA-N 0 3 253.773 3.065 20 30 CGEDHN CCOC(=O)[C@@H]1CC[C@H](NCC2(C#N)CCCC2)C[C@@H]1C ZINC000593653393 347100049 /nfs/dbraw/zinc/10/00/49/347100049.db2.gz JGFAESVVMZIBRI-SOUVJXGZSA-N 0 3 292.423 3.028 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccnc(OC3CCCC3)c2)C1 ZINC000572228194 346667747 /nfs/dbraw/zinc/66/77/47/346667747.db2.gz FZPXCVPNZPNQHV-ZFWWWQNUSA-N 0 3 285.391 3.185 20 30 CGEDHN CCCCCCCCCN1CCC[C@@H](NC(C)=O)C1 ZINC000584590867 346685393 /nfs/dbraw/zinc/68/53/93/346685393.db2.gz GDIGOARUSWQFGA-MRXNPFEDSA-N 0 3 268.445 3.338 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCCCC2 ZINC000585816726 346731056 /nfs/dbraw/zinc/73/10/56/346731056.db2.gz IYLJYXYXSMIZQH-IRXDYDNUSA-N 0 3 299.418 3.171 20 30 CGEDHN COc1ccc([C@H](NCCCCC#N)c2ccccn2)cc1 ZINC000593705305 347105967 /nfs/dbraw/zinc/10/59/67/347105967.db2.gz XOCZWXPFUVISTO-SFHVURJKSA-N 0 3 295.386 3.463 20 30 CGEDHN Cc1c(CN(C)C(=O)C(C)C#N)oc2c1cccc2C ZINC000593847167 347117377 /nfs/dbraw/zinc/11/73/77/347117377.db2.gz ARYAJMLNRACHPQ-LLVKDONJSA-N 0 3 270.332 3.168 20 30 CGEDHN CN(CCN1CCCCC1)c1cccc(C(F)F)c1C#N ZINC000594586724 347196416 /nfs/dbraw/zinc/19/64/16/347196416.db2.gz BBYYMOZFWAWONZ-UHFFFAOYSA-N 0 3 293.361 3.418 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc2ccccc21 ZINC000594425047 347173983 /nfs/dbraw/zinc/17/39/83/347173983.db2.gz JKALNAVCXUHFIE-HNNXBMFYSA-N 0 3 281.359 3.190 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@H]2CCCCO2)cc1F ZINC000594509748 347182386 /nfs/dbraw/zinc/18/23/86/347182386.db2.gz MDBNQQSKJYQVTL-IAGOWNOFSA-N 0 3 288.366 3.135 20 30 CGEDHN C[C@@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)[C@H](C)O1 ZINC000594517271 347186295 /nfs/dbraw/zinc/18/62/95/347186295.db2.gz KDJQKGAREJHSOQ-DVOMOZLQSA-N 0 3 270.376 3.093 20 30 CGEDHN CC[C@H](CNCc1ccc(C(C)(C)C#N)cc1)OC ZINC000594520649 347189115 /nfs/dbraw/zinc/18/91/15/347189115.db2.gz MAZMCHFQRKXAGW-OAHLLOKOSA-N 0 3 260.381 3.002 20 30 CGEDHN N#CCCC[C@@H](NCc1cnc2n1CCC2)c1ccccc1 ZINC000594945780 347237850 /nfs/dbraw/zinc/23/78/50/347237850.db2.gz XIQPSFNVNAXZKJ-QGZVFWFLSA-N 0 3 294.402 3.354 20 30 CGEDHN C=CCCSCCNCc1c(C2CCC2)cnn1C ZINC000594967262 347244610 /nfs/dbraw/zinc/24/46/10/347244610.db2.gz JUZOPKMMVGRTCR-UHFFFAOYSA-N 0 3 279.453 3.087 20 30 CGEDHN N#CCC[C@H](N[C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000595023909 347260372 /nfs/dbraw/zinc/26/03/72/347260372.db2.gz ZTMXIJHTBVGLRP-HOTGVXAUSA-N 0 3 270.376 3.333 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cc2cnccc2o1 ZINC000595055629 347270747 /nfs/dbraw/zinc/27/07/47/347270747.db2.gz YHWHZSQOKCSOMA-LLVKDONJSA-N 0 3 255.321 3.172 20 30 CGEDHN C[C@H](NC[C@@H]1CCN1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054472 347270860 /nfs/dbraw/zinc/27/08/60/347270860.db2.gz PTASMNPNVRJEOA-WFASDCNBSA-N 0 3 289.398 3.221 20 30 CGEDHN C=CCCSCCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000595060575 347273801 /nfs/dbraw/zinc/27/38/01/347273801.db2.gz VUCOJSOCDXUMFV-CYBMUJFWSA-N 0 3 293.432 3.418 20 30 CGEDHN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccc(C#N)cc1F ZINC000595078809 347278898 /nfs/dbraw/zinc/27/88/98/347278898.db2.gz GCTIXOOQARZHJV-DYEKYZERSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@H](NC[C@]1(C)CC1(F)F)c1ccc(C#N)c(F)c1 ZINC000595081898 347279455 /nfs/dbraw/zinc/27/94/55/347279455.db2.gz UBGYOBJSLVTREQ-ZANVPECISA-N 0 3 268.282 3.393 20 30 CGEDHN CC1(C)CN(Cc2ccc(C#N)cn2)CCc2ccccc21 ZINC000595631876 347330253 /nfs/dbraw/zinc/33/02/53/347330253.db2.gz LECNOSDKIMXXNQ-UHFFFAOYSA-N 0 3 291.398 3.289 20 30 CGEDHN CC1(C)C[C@H](N(CCCC#N)Cc2ccccc2)CO1 ZINC000595636798 347330883 /nfs/dbraw/zinc/33/08/83/347330883.db2.gz JROGNZZHUINIFE-INIZCTEOSA-N 0 3 272.392 3.360 20 30 CGEDHN CC(C)[C@@H](NCCOCCC#N)c1ccccc1F ZINC000595686737 347337115 /nfs/dbraw/zinc/33/71/15/347337115.db2.gz ARVHULSMTYPBRC-OAHLLOKOSA-N 0 3 264.344 3.043 20 30 CGEDHN C=CCC1(NCC(=O)Nc2sccc2C#N)CCCC1 ZINC000595780160 347354941 /nfs/dbraw/zinc/35/49/41/347354941.db2.gz KFZYXLTWXHAGIW-UHFFFAOYSA-N 0 3 289.404 3.037 20 30 CGEDHN N#Cc1ccc(CCN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000595490017 347310771 /nfs/dbraw/zinc/31/07/71/347310771.db2.gz KYZOVPDENQGXCL-MSOLQXFVSA-N 0 3 296.414 3.134 20 30 CGEDHN CC[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597122946 347537591 /nfs/dbraw/zinc/53/75/91/347537591.db2.gz BNTDWQVCWXXPFZ-KRWDZBQOSA-N 0 3 284.403 3.243 20 30 CGEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597138657 347539858 /nfs/dbraw/zinc/53/98/58/347539858.db2.gz BBPSCAWAIKHXIN-SFHVURJKSA-N 0 3 297.446 3.158 20 30 CGEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H]2COC[C@@H]21 ZINC000597150093 347540865 /nfs/dbraw/zinc/54/08/65/347540865.db2.gz UEQRFXNHRBLRQY-DLBZAZTESA-N 0 3 296.414 3.099 20 30 CGEDHN N#Cc1csc(CN2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000597247826 347562229 /nfs/dbraw/zinc/56/22/29/347562229.db2.gz FDGAXAQVOKPPPJ-IYBDPMFKSA-N 0 3 288.416 3.012 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCCC1CCC1 ZINC000598218604 347636392 /nfs/dbraw/zinc/63/63/92/347636392.db2.gz MTPXLHYPSMWIEY-KRWDZBQOSA-N 0 3 284.403 3.455 20 30 CGEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598234582 347637385 /nfs/dbraw/zinc/63/73/85/347637385.db2.gz TYLNVTGIXKWEKD-HZPDHXFCSA-N 0 3 270.376 3.064 20 30 CGEDHN CCOc1cc(CNCCCCC#N)c(F)cc1OC ZINC000598963247 347701814 /nfs/dbraw/zinc/70/18/14/347701814.db2.gz MHOHPQJJSWDENB-UHFFFAOYSA-N 0 3 280.343 3.016 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000599009371 347706168 /nfs/dbraw/zinc/70/61/68/347706168.db2.gz KHZFLLWGUFFJQQ-IRXDYDNUSA-N 0 3 284.403 3.145 20 30 CGEDHN C[C@H](NCCCCC#N)c1cc(-c2ccccc2)n(C)n1 ZINC000599027772 347707387 /nfs/dbraw/zinc/70/73/87/347707387.db2.gz SGWWVJJDIFSCHU-AWEZNQCLSA-N 0 3 282.391 3.432 20 30 CGEDHN N#CC[C@@H]1CC[C@H](N[C@@H]2CCCc3scnc32)C1 ZINC000599049428 347711027 /nfs/dbraw/zinc/71/10/27/347711027.db2.gz WXBSCEHDMZBHHD-SDDRHHMPSA-N 0 3 261.394 3.192 20 30 CGEDHN C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1cccc(C#N)c1 ZINC000599060180 347712986 /nfs/dbraw/zinc/71/29/86/347712986.db2.gz UKRGNBPSVNLASK-LIRRHRJNSA-N 0 3 292.382 3.350 20 30 CGEDHN CCN(Cc1ccc(Cl)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586293 347666765 /nfs/dbraw/zinc/66/67/65/347666765.db2.gz DUFBYHSCXIMDFM-HNNXBMFYSA-N 0 3 294.826 3.463 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@H]1c1ccco1 ZINC000598593622 347668565 /nfs/dbraw/zinc/66/85/65/347668565.db2.gz VLGFKKYSQGIJPB-KGLIPLIRSA-N 0 3 276.380 3.107 20 30 CGEDHN CN(Cc1cc2ccccc2o1)C[C@H](O)CC(C)(C)C#N ZINC000598595360 347669443 /nfs/dbraw/zinc/66/94/43/347669443.db2.gz NKQQTZJBSIJKPX-CQSZACIVSA-N 0 3 286.375 3.165 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](OCC)C1CC1 ZINC000599280607 347732008 /nfs/dbraw/zinc/73/20/08/347732008.db2.gz AAGVSXYTVMUZEX-SFHVURJKSA-N 0 3 284.403 3.361 20 30 CGEDHN CCOC[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599295773 347732524 /nfs/dbraw/zinc/73/25/24/347732524.db2.gz PJKAMNNSZCSJMD-INIZCTEOSA-N 0 3 272.392 3.115 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](OCC(C)C)C2)cc1C#N ZINC000599310755 347734511 /nfs/dbraw/zinc/73/45/11/347734511.db2.gz BSYRFTLCDTZBMU-QGZVFWFLSA-N 0 3 272.392 3.114 20 30 CGEDHN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599355585 347738675 /nfs/dbraw/zinc/73/86/75/347738675.db2.gz BOTSNXYAXFVEKQ-DOMZBBRYSA-N 0 3 294.345 3.060 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599526281 347750738 /nfs/dbraw/zinc/75/07/38/347750738.db2.gz JMPZUSOHINIHDJ-CYBMUJFWSA-N 0 3 260.337 3.301 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](c1ccccn1)C1CCC1 ZINC000599573625 347755140 /nfs/dbraw/zinc/75/51/40/347755140.db2.gz JXFOKAWFAZZAGU-OAHLLOKOSA-N 0 3 257.381 3.452 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000600683277 347828933 /nfs/dbraw/zinc/82/89/33/347828933.db2.gz RIGMEXXNDBWSMV-HNNXBMFYSA-N 0 3 286.419 3.326 20 30 CGEDHN N#Cc1ccc(CNCC[C@H]2CCc3ccccc3N2)o1 ZINC000600767654 347832555 /nfs/dbraw/zinc/83/25/55/347832555.db2.gz BZRHIHHTRGVGRY-CQSZACIVSA-N 0 3 281.359 3.058 20 30 CGEDHN COc1ccc2c(c1)CC[C@@H]2NCc1cccc(C#N)c1 ZINC000601263745 347886727 /nfs/dbraw/zinc/88/67/27/347886727.db2.gz OJBJRESQPXUYIU-SFHVURJKSA-N 0 3 278.355 3.344 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC)c1OC ZINC000601283198 347888866 /nfs/dbraw/zinc/88/88/66/347888866.db2.gz RDIMXGREVAXBLB-GZBFAFLISA-N 0 3 288.391 3.437 20 30 CGEDHN N#Cc1c(F)cccc1CNCC1(CCO)CCCCC1 ZINC000602009895 347932618 /nfs/dbraw/zinc/93/26/18/347932618.db2.gz BIDVVBOBEAILGH-UHFFFAOYSA-N 0 3 290.382 3.120 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2nc3cc(F)ccc3o2)C1 ZINC000602022637 347934337 /nfs/dbraw/zinc/93/43/37/347934337.db2.gz DJUJUTZVXUHKIS-JQWIXIFHSA-N 0 3 273.311 3.139 20 30 CGEDHN Cc1cccc(N2CCN(C[C@H](C)CCC#N)CC2)c1C ZINC000602429600 347956477 /nfs/dbraw/zinc/95/64/77/347956477.db2.gz PUSBXCPLXOGTKU-OAHLLOKOSA-N 0 3 285.435 3.365 20 30 CGEDHN Cc1cccc(N2CCN(C[C@@H](C)CCC#N)CC2)c1C ZINC000602429592 347956529 /nfs/dbraw/zinc/95/65/29/347956529.db2.gz PUSBXCPLXOGTKU-HNNXBMFYSA-N 0 3 285.435 3.365 20 30 CGEDHN Cc1ccc(C[C@@H](C)N(C)Cc2cccc(C#N)n2)cc1 ZINC000602473176 347963806 /nfs/dbraw/zinc/96/38/06/347963806.db2.gz JWPNAPOUMXQGPW-OAHLLOKOSA-N 0 3 279.387 3.325 20 30 CGEDHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cccc(C#N)n1 ZINC000602473183 347964306 /nfs/dbraw/zinc/96/43/06/347964306.db2.gz LNQCXSLLUMWZGL-GOEBONIOSA-N 0 3 277.371 3.331 20 30 CGEDHN CCN(C[C@H](C)CCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602477276 347965037 /nfs/dbraw/zinc/96/50/37/347965037.db2.gz ZZDSAVSQSFPALJ-NVXWUHKLSA-N 0 3 299.418 3.054 20 30 CGEDHN N#Cc1cccc(CNCCCSc2ccccc2)n1 ZINC000602507363 347971876 /nfs/dbraw/zinc/97/18/76/347971876.db2.gz HKBPMWXTJIGQCE-UHFFFAOYSA-N 0 3 283.400 3.225 20 30 CGEDHN CCc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)s1 ZINC000602515131 347974456 /nfs/dbraw/zinc/97/44/56/347974456.db2.gz NEDXPKPXLWRUDA-CYBMUJFWSA-N 0 3 292.448 3.499 20 30 CGEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(C)c1 ZINC000602521435 347975050 /nfs/dbraw/zinc/97/50/50/347975050.db2.gz QPBSYRRMLWXPSW-MRXNPFEDSA-N 0 3 286.419 3.492 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)n1)[C@H](C)c1ccccc1 ZINC000602565077 347983638 /nfs/dbraw/zinc/98/36/38/347983638.db2.gz PEEXWTJHJCQCHD-UONOGXRCSA-N 0 3 265.360 3.235 20 30 CGEDHN C[C@H](CCC#N)CNCc1csc(-c2ccco2)n1 ZINC000602571611 347984919 /nfs/dbraw/zinc/98/49/19/347984919.db2.gz AJDVJJBCKLUDLG-LLVKDONJSA-N 0 3 275.377 3.433 20 30 CGEDHN COC[C@@H](NC1CCC(C#N)CC1)c1ccc(F)c(F)c1 ZINC000602579759 347987373 /nfs/dbraw/zinc/98/73/73/347987373.db2.gz BZXVIPFIKGKHHX-IJGSQOGDSA-N 0 3 294.345 3.324 20 30 CGEDHN CC(C)[C@@H](NC1CCC(C#N)CC1)c1nnc2ccccn21 ZINC000602585650 347988791 /nfs/dbraw/zinc/98/87/91/347988791.db2.gz HTYWNABTJLPYBO-ZBCRRDGASA-N 0 3 297.406 3.098 20 30 CGEDHN CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C2CCC(C#N)CC2)[n-]1 ZINC000602629468 347996838 /nfs/dbraw/zinc/99/68/38/347996838.db2.gz HSRIIUYEUPHKOQ-OKZRHMCRSA-N 0 3 275.400 3.051 20 30 CGEDHN CC[C@@H](C)c1nnc([C@@H](C)NC2CCC(C#N)CC2)[nH]1 ZINC000602629468 347996841 /nfs/dbraw/zinc/99/68/41/347996841.db2.gz HSRIIUYEUPHKOQ-OKZRHMCRSA-N 0 3 275.400 3.051 20 30 CGEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)[C@H]1CC1(F)F ZINC000602638707 347998424 /nfs/dbraw/zinc/99/84/24/347998424.db2.gz GFNZLDKFCGLZSM-FZZIBODNSA-N 0 3 262.303 3.179 20 30 CGEDHN C[C@@H](CCC#N)CNc1cccc2c1OCC[C@H]2N(C)C ZINC000602638825 347998447 /nfs/dbraw/zinc/99/84/47/347998447.db2.gz FLWPIBHNRKOULK-XJKSGUPXSA-N 0 3 287.407 3.424 20 30 CGEDHN N#CCC1(CNCc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000602642383 347999723 /nfs/dbraw/zinc/99/97/23/347999723.db2.gz KZHDYGJNQJWCTD-UHFFFAOYSA-N 0 3 287.313 3.296 20 30 CGEDHN CC[C@@](C)(CNCc1ccc(C#N)c(Cl)c1)OC ZINC000602658545 348002997 /nfs/dbraw/zinc/00/29/97/348002997.db2.gz KTJPVAFBQOMBDG-AWEZNQCLSA-N 0 3 266.772 3.116 20 30 CGEDHN CC[C@@H](C)[C@H](CNCc1ccc(C#N)c(Cl)c1)OC ZINC000602659972 348003749 /nfs/dbraw/zinc/00/37/49/348003749.db2.gz ZKKQENKKOPDPHI-ABAIWWIYSA-N 0 3 280.799 3.362 20 30 CGEDHN C[C@H](CCC#N)CNc1ccc(CN(C)C)cc1F ZINC000602692883 348010728 /nfs/dbraw/zinc/01/07/28/348010728.db2.gz ZRBYTGSXHGWIDO-GFCCVEGCSA-N 0 3 263.360 3.239 20 30 CGEDHN CCC[C@H](CNC(C)(C)c1cccc(C#N)c1)OC ZINC000602705245 348013335 /nfs/dbraw/zinc/01/33/35/348013335.db2.gz DWHFMPGRHMHTJY-OAHLLOKOSA-N 0 3 260.381 3.198 20 30 CGEDHN CO[C@H](CNCC1(C#N)CCCCC1)C1CCCC1 ZINC000602715708 348016537 /nfs/dbraw/zinc/01/65/37/348016537.db2.gz HCEADPATIBAERS-OAHLLOKOSA-N 0 3 264.413 3.255 20 30 CGEDHN CC[C@@H](CCc1ccccc1)NCc1cccc(C#N)n1 ZINC000602720832 348017127 /nfs/dbraw/zinc/01/71/27/348017127.db2.gz NYALYTSDJOMMEI-INIZCTEOSA-N 0 3 279.387 3.454 20 30 CGEDHN COc1ccc(CN2CCC(CCF)CC2)cc1C#N ZINC000602731862 348020209 /nfs/dbraw/zinc/02/02/09/348020209.db2.gz CASMTXHXWXLKQE-UHFFFAOYSA-N 0 3 276.355 3.138 20 30 CGEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CC1(CC#N)CC1 ZINC000602841527 348035339 /nfs/dbraw/zinc/03/53/39/348035339.db2.gz OJBXOVZYQHRQTP-GHMZBOCLSA-N 0 3 260.303 3.343 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N(C)CC1(CC#N)CC1 ZINC000602842397 348035605 /nfs/dbraw/zinc/03/56/05/348035605.db2.gz XITMJWPLCPCEMJ-ZDUSSCGKSA-N 0 3 260.356 3.382 20 30 CGEDHN N#CC1(CCN2CCC[C@H]2c2cn[nH]c2)CCCCC1 ZINC000602880980 348040271 /nfs/dbraw/zinc/04/02/71/348040271.db2.gz PJPOJTDEZYSISW-HNNXBMFYSA-N 0 3 272.396 3.411 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886091 348040812 /nfs/dbraw/zinc/04/08/12/348040812.db2.gz GNTVMZRLGFKZDO-HIFRSBDPSA-N 0 3 280.375 3.111 20 30 CGEDHN Cn1cc(C2=CCCN(CCCCC(C)(C)C#N)C2)cn1 ZINC000602883958 348041019 /nfs/dbraw/zinc/04/10/19/348041019.db2.gz TZOVXUUXTQWDOM-UHFFFAOYSA-N 0 3 286.423 3.229 20 30 CGEDHN N#Cc1ccccc1NC1CCN(CCOC2CCC2)CC1 ZINC000602902886 348041781 /nfs/dbraw/zinc/04/17/81/348041781.db2.gz XXVHLWCECHYDEF-UHFFFAOYSA-N 0 3 299.418 3.004 20 30 CGEDHN C=CCCCCCN(C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000606970805 348212627 /nfs/dbraw/zinc/21/26/27/348212627.db2.gz KZZOARFKCRCDTA-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN Cc1nc(CNCC(C)(C)CCC#N)nc2ccccc12 ZINC000610270884 348369713 /nfs/dbraw/zinc/36/97/13/348369713.db2.gz ZMSOOWVNNKWNKP-UHFFFAOYSA-N 0 3 282.391 3.358 20 30 CGEDHN CCC(CC)CN(CCC#N)CCCc1cnn(C)c1 ZINC000610392379 348380294 /nfs/dbraw/zinc/38/02/94/348380294.db2.gz DLSQEVAQIGNBLV-UHFFFAOYSA-N 0 3 276.428 3.005 20 30 CGEDHN Cc1ccc(CN(CCCSCC#N)C2CC2)o1 ZINC000610409598 348381592 /nfs/dbraw/zinc/38/15/92/348381592.db2.gz JVSIMJJMDNGYNT-UHFFFAOYSA-N 0 3 264.394 3.199 20 30 CGEDHN COC[C@@H](CC(C)C)N[C@H](C)c1cccc(C#N)c1 ZINC000610829787 348405084 /nfs/dbraw/zinc/40/50/84/348405084.db2.gz LEOQABXMVVLXCT-CZUORRHYSA-N 0 3 260.381 3.270 20 30 CGEDHN CN(CCC1CCCCC1)Cc1ccnc(C#N)c1 ZINC000610992197 348415501 /nfs/dbraw/zinc/41/55/01/348415501.db2.gz KWMMEDRVVULENU-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN CN(CCCOC(C)(C)C)Cc1cccc(C#N)c1 ZINC000610681230 348395929 /nfs/dbraw/zinc/39/59/29/348395929.db2.gz GUTDDEZTFRCUAW-UHFFFAOYSA-N 0 3 260.381 3.195 20 30 CGEDHN N#Cc1ccc(CN2CC(Cc3ccc(F)cc3)C2)cc1 ZINC000611172987 348426306 /nfs/dbraw/zinc/42/63/06/348426306.db2.gz QFPFWNBZLHARCS-UHFFFAOYSA-N 0 3 280.346 3.372 20 30 CGEDHN Cc1cncc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611395265 348446453 /nfs/dbraw/zinc/44/64/53/348446453.db2.gz ZFOFJBDHRIEBKO-GOSISDBHSA-N 0 3 277.371 3.429 20 30 CGEDHN COc1ccc(CN(C)CCC(C)(C)C#N)cc1OC ZINC000611462427 348453729 /nfs/dbraw/zinc/45/37/29/348453729.db2.gz QLTCVKZWAZDYNA-UHFFFAOYSA-N 0 3 276.380 3.075 20 30 CGEDHN CCC1(O)CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000611587701 348462210 /nfs/dbraw/zinc/46/22/10/348462210.db2.gz OKJRCDRZDNUPEX-MKQDKFQKSA-N 0 3 290.382 3.432 20 30 CGEDHN CC1(NCc2ccc(C#N)o2)CCC(F)(F)CC1 ZINC000612192004 348500376 /nfs/dbraw/zinc/50/03/76/348500376.db2.gz HOMRVLMAUKDMPK-UHFFFAOYSA-N 0 3 254.280 3.209 20 30 CGEDHN C[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000613426130 348600600 /nfs/dbraw/zinc/60/06/00/348600600.db2.gz SHTFQUUQZYYMKG-JSGCOSHPSA-N 0 3 286.423 3.145 20 30 CGEDHN C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)C1=CCN(C)CC1 ZINC000613429290 348601739 /nfs/dbraw/zinc/60/17/39/348601739.db2.gz PRDMGAMTXFRVSH-CYBMUJFWSA-N 0 3 298.434 3.313 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614178483 348655522 /nfs/dbraw/zinc/65/55/22/348655522.db2.gz FQICNVNCRUTTJE-CVEARBPZSA-N 0 3 299.462 3.402 20 30 CGEDHN C[C@H](N[C@H]1CCS[C@@H]1C)c1ccc(C#N)cc1F ZINC000615136428 348716827 /nfs/dbraw/zinc/71/68/27/348716827.db2.gz WWFKURXNLDTKQC-RBZYPMLTSA-N 0 3 264.369 3.242 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CCOC2)CC1 ZINC000615444823 348740256 /nfs/dbraw/zinc/74/02/56/348740256.db2.gz BJZNRHISNYETNW-AWEZNQCLSA-N 0 3 270.376 3.122 20 30 CGEDHN COc1ccc(C)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000618571372 349109027 /nfs/dbraw/zinc/10/90/27/349109027.db2.gz FOAJVYGLLVSQRE-ZFWWWQNUSA-N 0 3 258.365 3.176 20 30 CGEDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(C#N)c(C)c1 ZINC000618594271 349115966 /nfs/dbraw/zinc/11/59/66/349115966.db2.gz YSHTZZIOLYQMQB-SFHVURJKSA-N 0 3 294.402 3.246 20 30 CGEDHN Cn1cc([C@H](N[C@H]2CCC[C@@H](C#N)C2)C(C)(C)C)cn1 ZINC000618601559 349119065 /nfs/dbraw/zinc/11/90/65/349119065.db2.gz LFJUXRVZYNUIFX-SNPRPXQTSA-N 0 3 274.412 3.179 20 30 CGEDHN N#CCC1(CN[C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000619526344 349256181 /nfs/dbraw/zinc/25/61/81/349256181.db2.gz ZXIDFITUIOTXEL-AWEZNQCLSA-N 0 3 262.303 3.236 20 30 CGEDHN Cc1cccc(CCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000359018551 233241751 /nfs/dbraw/zinc/24/17/51/233241751.db2.gz YBUULRDMCSEHGS-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(OC)ccc2OC)C1 ZINC000625702117 350199371 /nfs/dbraw/zinc/19/93/71/350199371.db2.gz DCVAVAXOULGRFK-ZDUSSCGKSA-N 0 3 261.365 3.102 20 30 CGEDHN C=CCCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625745307 350207261 /nfs/dbraw/zinc/20/72/61/350207261.db2.gz HWRCKYMAEMJENB-DGCLKSJQSA-N 0 3 271.282 3.087 20 30 CGEDHN C=CCC1(NCc2cnccc2OC)CCCCC1 ZINC000625934444 350233204 /nfs/dbraw/zinc/23/32/04/350233204.db2.gz NSWJNVNBOWHVLP-UHFFFAOYSA-N 0 3 260.381 3.459 20 30 CGEDHN C=CC[C@H](C)NCc1cc(OC)c(OC)cc1Cl ZINC000631074500 350944360 /nfs/dbraw/zinc/94/43/60/350944360.db2.gz BLFOZCFYEQFJHF-JTQLQIEISA-N 0 3 269.772 3.411 20 30 CGEDHN Cc1nc(NC[C@H](c2ccco2)N2CCCC2)ccc1C#N ZINC000291699153 198062502 /nfs/dbraw/zinc/06/25/02/198062502.db2.gz UDYZLYLJVWZOMA-OAHLLOKOSA-N 0 3 296.374 3.104 20 30 CGEDHN C=C(Cl)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271476485 191160387 /nfs/dbraw/zinc/16/03/87/191160387.db2.gz JSBBFYDHLLEBFH-ZDUSSCGKSA-N 0 3 280.755 3.258 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292062456 198148606 /nfs/dbraw/zinc/14/86/06/198148606.db2.gz CRLFHETTWQNAEM-KSSFIOAISA-N 0 3 284.403 3.368 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292110656 198166091 /nfs/dbraw/zinc/16/60/91/198166091.db2.gz HCGUSOKCHABJLO-RHSMWYFYSA-N 0 3 293.370 3.168 20 30 CGEDHN C=C(C)CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000156230059 188250179 /nfs/dbraw/zinc/25/01/79/188250179.db2.gz JWGRVOATYRGBAI-CQSZACIVSA-N 0 3 295.452 3.006 20 30 CGEDHN COc1ccc(C[C@H](C)CNCc2ccc(C#N)o2)cc1 ZINC000157923012 188346860 /nfs/dbraw/zinc/34/68/60/188346860.db2.gz PUNWZBCYZGTXOM-ZDUSSCGKSA-N 0 3 284.359 3.128 20 30 CGEDHN Cc1c(CN[C@@H]2CCCCc3cc(C#N)ccc32)cnn1C ZINC000336412629 213270124 /nfs/dbraw/zinc/27/01/24/213270124.db2.gz OSFVQHJMBPLKDO-GOSISDBHSA-N 0 3 294.402 3.158 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000442851532 283059153 /nfs/dbraw/zinc/05/91/53/283059153.db2.gz FCUNXSSJJDFOQM-DIOULYMOSA-N 0 3 258.340 3.485 20 30 CGEDHN C[C@H](N[C@H](CCO)c1ccccc1)c1cccc(C#N)c1 ZINC000271876788 191383717 /nfs/dbraw/zinc/38/37/17/191383717.db2.gz OFKKZWHMJNGBBD-KBXCAEBGSA-N 0 3 280.371 3.333 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]2C(F)F)c(C(F)(F)F)c1 ZINC000352883602 283147663 /nfs/dbraw/zinc/14/76/63/283147663.db2.gz CMXZFPUIUSUHAR-GXSJLCMTSA-N 0 3 290.235 3.320 20 30 CGEDHN N#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000357363702 283148066 /nfs/dbraw/zinc/14/80/66/283148066.db2.gz JBWQXOPQVLVUEM-RTBURBONSA-N 0 3 292.382 3.426 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1cccc(C#N)c1)CC(C)C ZINC000417388091 235630846 /nfs/dbraw/zinc/63/08/46/235630846.db2.gz ZIMUVFSWLMXLLZ-CZUORRHYSA-N 0 3 260.381 3.270 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]3CCC[C@H]32)c1F ZINC000300239223 283205781 /nfs/dbraw/zinc/20/57/81/283205781.db2.gz LZQBHISUYIIFNC-SWLSCSKDSA-N 0 3 258.340 3.462 20 30 CGEDHN C[C@](CO)(NCc1cccc(F)c1C#N)C1CCCCC1 ZINC000428259142 236386936 /nfs/dbraw/zinc/38/69/36/236386936.db2.gz YSYJCIAYHOJLRH-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN CC(C)[C@@H](C)N(C)Cc1cn2ccccc2c1C#N ZINC000341805948 216111866 /nfs/dbraw/zinc/11/18/66/216111866.db2.gz FQTAHGVPBYNPOW-CYBMUJFWSA-N 0 3 255.365 3.287 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000176953616 189016630 /nfs/dbraw/zinc/01/66/30/189016630.db2.gz SLGGYCKSWCUALN-HNNXBMFYSA-N 0 3 272.373 3.097 20 30 CGEDHN C[C@@H](NCCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000177470494 189053106 /nfs/dbraw/zinc/05/31/06/189053106.db2.gz NEQYCZXIZBMUIT-OAHLLOKOSA-N 0 3 280.371 3.426 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000177906870 189078643 /nfs/dbraw/zinc/07/86/43/189078643.db2.gz DEXVYFDMYDYJJO-GFCCVEGCSA-N 0 3 280.362 3.266 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179677380 189212755 /nfs/dbraw/zinc/21/27/55/189212755.db2.gz KGXCPEIDKWVGGL-HOCLYGCPSA-N 0 3 277.408 3.452 20 30 CGEDHN N#Cc1ccccc1-c1ccc(CN[C@H]2CCCOC2)cc1 ZINC000180220837 189244590 /nfs/dbraw/zinc/24/45/90/189244590.db2.gz ALMBNXGUCXQTPH-SFHVURJKSA-N 0 3 292.382 3.494 20 30 CGEDHN CCC(CC)[C@@H]1C[C@@H](NCc2ccc(C#N)o2)CCO1 ZINC000180375477 189252262 /nfs/dbraw/zinc/25/22/62/189252262.db2.gz FHCLNVMOXHPDEP-BBRMVZONSA-N 0 3 276.380 3.225 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C12CCC2 ZINC000180729186 189272218 /nfs/dbraw/zinc/27/22/18/189272218.db2.gz HLEWKVWORMIWIU-HUUCEWRRSA-N 0 3 290.432 3.399 20 30 CGEDHN C[C@@H](CN1CCCCC1)Nc1c(Cl)cccc1C#N ZINC000301495626 201029950 /nfs/dbraw/zinc/02/99/50/201029950.db2.gz ATYVPYCOEBWSCT-LBPRGKRZSA-N 0 3 277.799 3.498 20 30 CGEDHN C[C@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000182683316 189331506 /nfs/dbraw/zinc/33/15/06/189331506.db2.gz XOFJGUUGOVTPJV-CQSZACIVSA-N 0 3 299.443 3.230 20 30 CGEDHN C#CCOc1ccccc1CNC[C@@H](C)c1nccs1 ZINC000184293702 189382634 /nfs/dbraw/zinc/38/26/34/189382634.db2.gz UUZMJCZSORKWGR-CYBMUJFWSA-N 0 3 286.400 3.048 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(Cl)s1 ZINC000121268623 370846324 /nfs/dbraw/zinc/84/63/24/370846324.db2.gz LGDFGLJHUSFKIH-JTQLQIEISA-N 0 3 259.802 3.160 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000459776656 242227743 /nfs/dbraw/zinc/22/77/43/242227743.db2.gz KVVFPRLWMMHQHI-OSAQELSMSA-N 0 3 260.768 3.490 20 30 CGEDHN CCC[C@@H](NCc1nc(C#N)cs1)C1CCCC1 ZINC000459782007 242229990 /nfs/dbraw/zinc/22/99/90/242229990.db2.gz WZWRPCZSCVWWIM-CYBMUJFWSA-N 0 3 263.410 3.463 20 30 CGEDHN CCCC[C@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000460347503 242265512 /nfs/dbraw/zinc/26/55/12/242265512.db2.gz MOJMJJIMUNMFSP-RDJZCZTQSA-N 0 3 299.418 3.445 20 30 CGEDHN C[C@H]1C[C@@H](Nc2c(Cl)cccc2C#N)CCN1C ZINC000462885400 242372156 /nfs/dbraw/zinc/37/21/56/242372156.db2.gz UQRKAEZOZIDFEH-JQWIXIFHSA-N 0 3 263.772 3.106 20 30 CGEDHN CN(CCc1cccs1)Cc1ccc(F)c(C#N)c1 ZINC000121569330 370874606 /nfs/dbraw/zinc/87/46/06/370874606.db2.gz OTAJAILXNOXARZ-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000125607468 370938588 /nfs/dbraw/zinc/93/85/88/370938588.db2.gz DMCQWHHTPUWNOV-NSHDSACASA-N 0 3 255.308 3.208 20 30 CGEDHN N#CCOc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000035047655 368993895 /nfs/dbraw/zinc/99/38/95/368993895.db2.gz YDKLCSUFLLJTQN-GOSISDBHSA-N 0 3 278.355 3.366 20 30 CGEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000037748267 369102855 /nfs/dbraw/zinc/10/28/55/369102855.db2.gz ITUFQQVRBAHMGX-ZDUSSCGKSA-N 0 3 266.344 3.418 20 30 CGEDHN CCCN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000037306416 369081559 /nfs/dbraw/zinc/08/15/59/369081559.db2.gz SPPCSGYUTUHGEM-UHFFFAOYSA-N 0 3 297.324 3.109 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)C[C@@H](C)O)cc1Cl ZINC000361043087 261151657 /nfs/dbraw/zinc/15/16/57/261151657.db2.gz NKQWLVBWHVTCII-VXGBXAGGSA-N 0 3 283.799 3.154 20 30 CGEDHN CCC(CC)N(CCOC)Cc1ccccc1C#N ZINC000042616406 369226528 /nfs/dbraw/zinc/22/65/28/369226528.db2.gz VOSRKJNBTAGJMV-UHFFFAOYSA-N 0 3 260.381 3.195 20 30 CGEDHN C[C@@H]1CCCN(CCOc2ccccc2C#N)[C@@H]1C ZINC000050564768 369441977 /nfs/dbraw/zinc/44/19/77/369441977.db2.gz BXHCIWOZUYOSGC-ZIAGYGMSSA-N 0 3 258.365 3.057 20 30 CGEDHN C=CCNC(=O)CN(Cc1ccccc1)C1CCCCC1 ZINC000054255749 369500565 /nfs/dbraw/zinc/50/05/65/369500565.db2.gz JGPCKLUPZPCJJI-UHFFFAOYSA-N 0 3 286.419 3.124 20 30 CGEDHN CSCC[C@@H](C)N(C)Cc1ccc(C#N)s1 ZINC000129021877 370971873 /nfs/dbraw/zinc/97/18/73/370971873.db2.gz QIYVKVURDLYFMC-SNVBAGLBSA-N 0 3 254.424 3.193 20 30 CGEDHN C=CCC[C@@H](NCCCc1cnn(C)c1)c1ccco1 ZINC000276429151 193326993 /nfs/dbraw/zinc/32/69/93/193326993.db2.gz IOGILTRNEWAAIQ-OAHLLOKOSA-N 0 3 273.380 3.243 20 30 CGEDHN COc1ccccc1C[C@@H]1CCCN1CCCC#N ZINC000069683415 369766591 /nfs/dbraw/zinc/76/65/91/369766591.db2.gz YEBHFFVOTHEHER-HNNXBMFYSA-N 0 3 258.365 3.006 20 30 CGEDHN C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2)CCC1 ZINC000276567866 193384058 /nfs/dbraw/zinc/38/40/58/193384058.db2.gz MURDYFXUAKJKHX-UHFFFAOYSA-N 0 3 272.392 3.433 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000076737512 369941397 /nfs/dbraw/zinc/94/13/97/369941397.db2.gz NUDQEODGMVXCKB-ZIAGYGMSSA-N 0 3 292.398 3.289 20 30 CGEDHN C=CCCCN(C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000076737379 369941912 /nfs/dbraw/zinc/94/19/12/369941912.db2.gz PBMJJIJIZKTRRI-UHFFFAOYSA-N 0 3 292.398 3.072 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090883585 370069928 /nfs/dbraw/zinc/06/99/28/370069928.db2.gz KKEKGRNCRSSYBD-CYBMUJFWSA-N 0 3 278.352 3.147 20 30 CGEDHN CC[C@@H]1CCCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093530166 370138507 /nfs/dbraw/zinc/13/85/07/370138507.db2.gz ALSWPMROZFDCRM-OAHLLOKOSA-N 0 3 282.391 3.361 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(SCC)cc1 ZINC000103499899 370331005 /nfs/dbraw/zinc/33/10/05/370331005.db2.gz FVSBUMUCIDGXAN-OLZOCXBDSA-N 0 3 292.448 3.140 20 30 CGEDHN COc1ccc(C#N)cc1CN(CC(C)C)C1CC1 ZINC000130438574 371033853 /nfs/dbraw/zinc/03/38/53/371033853.db2.gz YYWSZUYEBUNIOS-UHFFFAOYSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCCN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000132515919 371180793 /nfs/dbraw/zinc/18/07/93/371180793.db2.gz FXTPHCUDABAJST-UHFFFAOYSA-N 0 3 271.307 3.305 20 30 CGEDHN CSCC[C@@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000134849714 371368565 /nfs/dbraw/zinc/36/85/65/371368565.db2.gz ZMZTXCZBHOVRAS-LLVKDONJSA-N 0 3 266.385 3.271 20 30 CGEDHN CSCC[C@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000134849695 371368787 /nfs/dbraw/zinc/36/87/87/371368787.db2.gz ZMZTXCZBHOVRAS-NSHDSACASA-N 0 3 266.385 3.271 20 30 CGEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCCCO1 ZINC000135139208 371394114 /nfs/dbraw/zinc/39/41/14/371394114.db2.gz DYYZYVUQBPCKRU-INIZCTEOSA-N 0 3 286.419 3.489 20 30 CGEDHN N#Cc1ccccc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134888201 371372546 /nfs/dbraw/zinc/37/25/46/371372546.db2.gz NLJQRILGQRGQOP-MJGOQNOKSA-N 0 3 295.430 3.007 20 30 CGEDHN C#CCCCCNCc1cccc(OC)c1OC(F)F ZINC000150732647 371533733 /nfs/dbraw/zinc/53/37/33/371533733.db2.gz JKZQPYSIBKQUGY-UHFFFAOYSA-N 0 3 283.318 3.190 20 30 CGEDHN C=CCCCN(C)Cc1cc(Br)cn1C ZINC000151565552 371613978 /nfs/dbraw/zinc/61/39/78/371613978.db2.gz AQCCOYFUSRXRLS-UHFFFAOYSA-N 0 3 271.202 3.186 20 30 CGEDHN COc1cc(CN[C@@H](C)C2(OC)CCCC2)ccc1C#N ZINC000421857928 371680803 /nfs/dbraw/zinc/68/08/03/371680803.db2.gz QNHPOLJTTBAMJJ-ZDUSSCGKSA-N 0 3 288.391 3.004 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288112906 371731231 /nfs/dbraw/zinc/73/12/31/371731231.db2.gz HONGQCJDMAGGAM-DOTOQJQBSA-N 0 3 286.419 3.122 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(COCC)cc2)cc1 ZINC000289346759 371755455 /nfs/dbraw/zinc/75/54/55/371755455.db2.gz WWOOJNRBFOXZPF-UHFFFAOYSA-N 0 3 279.383 3.494 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337320633 214003210 /nfs/dbraw/zinc/00/32/10/214003210.db2.gz ZDFDTACYRFXSPY-ZIAGYGMSSA-N 0 3 280.318 3.198 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2OC(F)F)s1 ZINC000337318825 214004671 /nfs/dbraw/zinc/00/46/71/214004671.db2.gz YOECFBFKMFRMBN-RYUDHWBXSA-N 0 3 286.347 3.260 20 30 CGEDHN CCC(CC)CN(CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000153883027 371795665 /nfs/dbraw/zinc/79/56/65/371795665.db2.gz KQBBAOWGMQKWBK-YOEHRIQHSA-N 0 3 295.471 3.187 20 30 CGEDHN CN(CCOCc1ccc(C#N)cc1)[C@@H]1C=CCCC1 ZINC000344070701 217037412 /nfs/dbraw/zinc/03/74/12/217037412.db2.gz MMRNIQZUNLIZIU-QGZVFWFLSA-N 0 3 270.376 3.115 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@](CO)(CCC)C2)c1 ZINC000290009729 371878760 /nfs/dbraw/zinc/87/87/60/371878760.db2.gz DNMKAPUFQZIYST-SFHVURJKSA-N 0 3 289.419 3.236 20 30 CGEDHN Cc1cccc(CN2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000157406401 372020095 /nfs/dbraw/zinc/02/00/95/372020095.db2.gz NZMVSYLFORGSMN-UHFFFAOYSA-N 0 3 285.435 3.053 20 30 CGEDHN Cc1ccc(OCCN(C)CCC(C)(C)C#N)cc1 ZINC000157474068 372021858 /nfs/dbraw/zinc/02/18/58/372021858.db2.gz SLGUJLUPOSEBGX-UHFFFAOYSA-N 0 3 260.381 3.246 20 30 CGEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)[C@H](C)C1 ZINC000425034491 372108810 /nfs/dbraw/zinc/10/88/10/372108810.db2.gz CERVLWYMPXACGH-INMHGKMJSA-N 0 3 284.403 3.406 20 30 CGEDHN C=C(C)CN(CC)Cc1cccc2c1OCCCO2 ZINC000158988513 372096851 /nfs/dbraw/zinc/09/68/51/372096851.db2.gz MSHAIEVQJVMTGQ-UHFFFAOYSA-N 0 3 261.365 3.246 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCNCc1ccc(C#N)cc1F ZINC000344228124 217109512 /nfs/dbraw/zinc/10/95/12/217109512.db2.gz WISJAJDJVAJFTI-KBPBESRZSA-N 0 3 289.398 3.050 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427983271 372179426 /nfs/dbraw/zinc/17/94/26/372179426.db2.gz DOSJXFBEPKFORU-ZIAGYGMSSA-N 0 3 272.392 3.348 20 30 CGEDHN C[C@@H](O)CN(CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000159868099 372189370 /nfs/dbraw/zinc/18/93/70/372189370.db2.gz AJFYUYSVUKYVAX-OAHLLOKOSA-N 0 3 289.394 3.193 20 30 CGEDHN Cc1cccc([C@@H]2CCCN2CCCSCC#N)n1 ZINC000160035010 372205300 /nfs/dbraw/zinc/20/53/00/372205300.db2.gz BDDDVWQINQVYKT-HNNXBMFYSA-N 0 3 275.421 3.174 20 30 CGEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)nc2)CN1Cc1ccccc1 ZINC000160947105 372290791 /nfs/dbraw/zinc/29/07/91/372290791.db2.gz CDJFPKIOTQYESY-KBXCAEBGSA-N 0 3 292.386 3.028 20 30 CGEDHN CC(C)[C@@]1(CO)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000292906418 372243502 /nfs/dbraw/zinc/24/35/02/372243502.db2.gz ATWVOLQOQYHHCE-YJBOKZPZSA-N 0 3 286.419 3.350 20 30 CGEDHN CC[C@@H](C)CN(CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000160528688 372255707 /nfs/dbraw/zinc/25/57/07/372255707.db2.gz JDLQGYHNDLKJGP-RHSMWYFYSA-N 0 3 299.418 3.032 20 30 CGEDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1CC#N ZINC000429388177 372359988 /nfs/dbraw/zinc/35/99/88/372359988.db2.gz QVQQEDOJPSXEHS-IBGZPJMESA-N 0 3 299.462 3.175 20 30 CGEDHN Oc1cccc2c1C[C@H](NCC#Cc1ccc(Cl)cc1)C2 ZINC000429225608 372324142 /nfs/dbraw/zinc/32/41/42/372324142.db2.gz GZRLSOSVMCMHDJ-MRXNPFEDSA-N 0 3 297.785 3.154 20 30 CGEDHN C=C(C)CCN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429238739 372326288 /nfs/dbraw/zinc/32/62/88/372326288.db2.gz FJQOAJQUGYRHHD-AWEZNQCLSA-N 0 3 262.372 3.302 20 30 CGEDHN Cc1ccc(C#N)cc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000161558304 372334079 /nfs/dbraw/zinc/33/40/79/372334079.db2.gz SLJBVMVBCMVOMC-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN CCOc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000429724285 372377620 /nfs/dbraw/zinc/37/76/20/372377620.db2.gz WNFRDMJWWRQURN-HUUCEWRRSA-N 0 3 258.365 3.209 20 30 CGEDHN C=CCOCCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000293477822 372392219 /nfs/dbraw/zinc/39/22/19/372392219.db2.gz MFECRPQDHDBYJJ-UHFFFAOYSA-N 0 3 297.345 3.011 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000433124791 372582465 /nfs/dbraw/zinc/58/24/65/372582465.db2.gz FYGCUSLUGSDUCB-ZBFHGGJFSA-N 0 3 293.370 3.031 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCC1=CCCC1 ZINC000433371986 372599539 /nfs/dbraw/zinc/59/95/39/372599539.db2.gz NVZKZBIGLSTCEO-KRWDZBQOSA-N 0 3 282.387 3.376 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433925809 372641129 /nfs/dbraw/zinc/64/11/29/372641129.db2.gz IHQSYVGGZRAFIL-GDBMZVCRSA-N 0 3 293.455 3.047 20 30 CGEDHN CC1(C)C[C@@H](O)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000295203623 372700749 /nfs/dbraw/zinc/70/07/49/372700749.db2.gz CKDIGPOAVNDGKD-INIZCTEOSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@](C)(COC)C2)c1 ZINC000295170199 372696365 /nfs/dbraw/zinc/69/63/65/372696365.db2.gz UDOBGWANUPGAAU-QGZVFWFLSA-N 0 3 275.392 3.110 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C)c2C)CC1 ZINC000171740011 372821101 /nfs/dbraw/zinc/82/11/01/372821101.db2.gz DWIJZUPNCQEMGG-UHFFFAOYSA-N 0 3 287.407 3.075 20 30 CGEDHN C=CC1CCN(CCOc2ccccc2C(C)=O)CC1 ZINC000171953451 372869840 /nfs/dbraw/zinc/86/98/40/372869840.db2.gz PKZPHMMVHLIUNZ-UHFFFAOYSA-N 0 3 273.376 3.166 20 30 CGEDHN CCC(=O)CCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000295654257 372861809 /nfs/dbraw/zinc/86/18/09/372861809.db2.gz ZMOAJOMBPOPVCS-UHFFFAOYSA-N 0 3 270.376 3.282 20 30 CGEDHN CC1(C)[C@@H]2CN(CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC000438167913 372902013 /nfs/dbraw/zinc/90/20/13/372902013.db2.gz AKKYCEWBSMHEBN-GASCZTMLSA-N 0 3 259.780 3.279 20 30 CGEDHN C[C@H](NCc1ccc(C#N)o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000344700461 217280250 /nfs/dbraw/zinc/28/02/50/217280250.db2.gz OOTCWVZXRHRSQG-BWACUDIHSA-N 0 3 282.343 3.194 20 30 CGEDHN C=CCC[C@@H](O)CN1CCc2cc(OCCC)ccc2C1 ZINC000441086439 372998788 /nfs/dbraw/zinc/99/87/88/372998788.db2.gz NYIPDYIDMFEPGP-QGZVFWFLSA-N 0 3 289.419 3.161 20 30 CGEDHN N#CC1CCC(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000441364048 373003531 /nfs/dbraw/zinc/00/35/31/373003531.db2.gz YVPAHUJJZXYNBE-UHFFFAOYSA-N 0 3 291.326 3.153 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000296179419 373044297 /nfs/dbraw/zinc/04/42/97/373044297.db2.gz CSSHMNXOEDKZPU-DNVCBOLYSA-N 0 3 294.398 3.467 20 30 CGEDHN COc1ccc([C@H](OC)[C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442828332 373098503 /nfs/dbraw/zinc/09/85/03/373098503.db2.gz MRMHDVICEHWFCK-YOKBYHGQSA-N 0 3 288.391 3.053 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296381084 373113211 /nfs/dbraw/zinc/11/32/11/373113211.db2.gz JEFRCXXGXIVTJP-GJZGRUSLSA-N 0 3 298.386 3.462 20 30 CGEDHN CC(C#N)C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000444463921 373192759 /nfs/dbraw/zinc/19/27/59/373192759.db2.gz HKGUEOVIBFIKJG-UPJWGTAASA-N 0 3 250.386 3.115 20 30 CGEDHN Cc1ncsc1CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000296605399 373193035 /nfs/dbraw/zinc/19/30/35/373193035.db2.gz VWOQRZOSWZMHRQ-JTQLQIEISA-N 0 3 289.379 3.356 20 30 CGEDHN CCN(CC)[C@@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000174238129 373272699 /nfs/dbraw/zinc/27/26/99/373272699.db2.gz MLLZHVLAKZIKER-SFHVURJKSA-N 0 3 297.402 3.324 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)[C@@H](C)O1 ZINC000444677258 373232898 /nfs/dbraw/zinc/23/28/98/373232898.db2.gz SLUWXKVBCUFJHP-HZSPNIEDSA-N 0 3 252.402 3.204 20 30 CGEDHN COC[C@]1(C)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000296970110 373254229 /nfs/dbraw/zinc/25/42/29/373254229.db2.gz YQRDCTVXITYAKI-MRXNPFEDSA-N 0 3 277.795 3.050 20 30 CGEDHN CC(C)[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000444753547 373260902 /nfs/dbraw/zinc/26/09/02/373260902.db2.gz OLERSBPSKHTAMN-ZBFHGGJFSA-N 0 3 299.418 3.253 20 30 CGEDHN CC[C@H]1CCCCN1CCNc1cccc(F)c1C#N ZINC000301249286 373711337 /nfs/dbraw/zinc/71/13/37/373711337.db2.gz IOLCVVOLRMHODI-ZDUSSCGKSA-N 0 3 275.371 3.374 20 30 CGEDHN COC[C@H](NC1CCC(C)(C#N)CC1)c1ccco1 ZINC000449174020 373668401 /nfs/dbraw/zinc/66/84/01/373668401.db2.gz GWSDKMFBXRWAFQ-OWYJLGKBSA-N 0 3 262.353 3.029 20 30 CGEDHN C=CCCCC[C@H](C)NCc1cccc(N(C)C)n1 ZINC000449203141 373670431 /nfs/dbraw/zinc/67/04/31/373670431.db2.gz GVNGFJBYBXLDOU-AWEZNQCLSA-N 0 3 261.413 3.372 20 30 CGEDHN CC[C@@H]1CCCCN1CCNc1snc(Cl)c1C#N ZINC000301292941 373732998 /nfs/dbraw/zinc/73/29/98/373732998.db2.gz UNGZHXTYMYQAMT-SNVBAGLBSA-N 0 3 298.843 3.345 20 30 CGEDHN N#Cc1csc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000449457220 373740204 /nfs/dbraw/zinc/74/02/04/373740204.db2.gz UGKPZCGKMPOSDA-OAGGEKHMSA-N 0 3 290.432 3.135 20 30 CGEDHN N#Cc1ccc(NCCN2CCCCC2)c(C(F)(F)F)c1 ZINC000301321194 373744975 /nfs/dbraw/zinc/74/49/75/373744975.db2.gz GWVFIYCDIVPNHT-UHFFFAOYSA-N 0 3 297.324 3.475 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(F)c(C(F)(F)F)c1 ZINC000449516888 373816262 /nfs/dbraw/zinc/81/62/62/373816262.db2.gz CYZISVFKXXEMSU-OLZOCXBDSA-N 0 3 289.272 3.278 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000449546444 373829862 /nfs/dbraw/zinc/82/98/62/373829862.db2.gz CBHNWOVSMLNPMZ-MYPMTAMASA-N 0 3 261.365 3.226 20 30 CGEDHN CO[C@](C)(CNCc1cc(C#N)cs1)c1ccccc1 ZINC000449487742 373778083 /nfs/dbraw/zinc/77/80/83/373778083.db2.gz YXVAUOMRTNXPBP-MRXNPFEDSA-N 0 3 286.400 3.271 20 30 CGEDHN CN(CCN(C)C1CC1)c1cc(C#N)ccc1C(F)(F)F ZINC000302348214 373856419 /nfs/dbraw/zinc/85/64/19/373856419.db2.gz CXABPIFZLDIIEH-UHFFFAOYSA-N 0 3 297.324 3.107 20 30 CGEDHN C[C@@H](c1ccccc1)[C@@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000450229035 374010209 /nfs/dbraw/zinc/01/02/09/374010209.db2.gz VYNXEVFYTNFMGZ-KXBFYZLASA-N 0 3 294.398 3.155 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H]2CCCN(C)C2)CCCCC1 ZINC000449995301 373980325 /nfs/dbraw/zinc/98/03/25/373980325.db2.gz LIZRIBJUBUGSEZ-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450691761 374172896 /nfs/dbraw/zinc/17/28/96/374172896.db2.gz ALXJSQDXVYIJBX-LPHOPBHVSA-N 0 3 299.414 3.475 20 30 CGEDHN C=CCNC(C)(C)c1ccc(Br)cc1 ZINC000308639577 374173462 /nfs/dbraw/zinc/17/34/62/374173462.db2.gz DITUWRKNFWBRPH-UHFFFAOYSA-N 0 3 254.171 3.460 20 30 CGEDHN COc1ccccc1OCCN[C@H](C)c1ccc(C#N)cc1 ZINC000316267636 374332873 /nfs/dbraw/zinc/33/28/73/374332873.db2.gz WUDKCPCKUQSHGK-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1cccnc1 ZINC000182884491 374339205 /nfs/dbraw/zinc/33/92/05/374339205.db2.gz KZTPRAYIQJCQHS-CQSZACIVSA-N 0 3 281.359 3.073 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C(C)(C)C)C1 ZINC000317334266 374340269 /nfs/dbraw/zinc/34/02/69/374340269.db2.gz AHGHHKPZUAFZDX-UKRRQHHQSA-N 0 3 299.418 3.253 20 30 CGEDHN C[C@@H](CNC(=O)c1coc(C2CCCC2)n1)N(C)C1CC1 ZINC000328765366 374379956 /nfs/dbraw/zinc/37/99/56/374379956.db2.gz PDHDCNHONLTVRF-NSHDSACASA-N 0 3 291.395 3.120 20 30 CGEDHN CCN1CCC[C@H](NC(=O)CCC(=O)NC2CCCC2)C1 ZINC000328771496 374380066 /nfs/dbraw/zinc/38/00/66/374380066.db2.gz JILPHZZOPTUXTQ-AWEZNQCLSA-N 0 3 295.427 3.107 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(O)c1 ZINC000334415387 374730830 /nfs/dbraw/zinc/73/08/30/374730830.db2.gz NAGMHVOGHYAOGK-SFHVURJKSA-N 0 3 278.355 3.431 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](CC(C)C)C1 ZINC000466735192 374969036 /nfs/dbraw/zinc/96/90/36/374969036.db2.gz ABHFIFKFTACGCX-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCOCCCN1CCN(c2ccccc2)C[C@@H]1CC ZINC000470761823 374999403 /nfs/dbraw/zinc/99/94/03/374999403.db2.gz LPYHZOLRMHKVBY-KRWDZBQOSA-N 0 3 288.435 3.180 20 30 CGEDHN C=C(C)CN(CCOCC1CC1)Cc1ccccc1 ZINC000470921681 375001548 /nfs/dbraw/zinc/00/15/48/375001548.db2.gz ZVCGZPZAQMMZKZ-UHFFFAOYSA-N 0 3 259.393 3.491 20 30 CGEDHN CC(C(=O)Nc1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000335224510 375242833 /nfs/dbraw/zinc/24/28/33/375242833.db2.gz YFKWWUFMHJZJFN-ZCFIWIBFSA-N 0 3 276.645 3.349 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC(F)(F)C2)cc1F ZINC000335233328 375250248 /nfs/dbraw/zinc/25/02/48/375250248.db2.gz REKWNGCERJZMNF-LBPRGKRZSA-N 0 3 268.282 3.365 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000188544098 375228894 /nfs/dbraw/zinc/22/88/94/375228894.db2.gz UJZWQDLFAXITBG-YOEHRIQHSA-N 0 3 272.392 3.336 20 30 CGEDHN Cc1cc(CN(C)CCN(C)c2ccccc2)ccc1C#N ZINC000487870749 375279456 /nfs/dbraw/zinc/27/94/56/375279456.db2.gz LPUMYAKUPIAXAY-UHFFFAOYSA-N 0 3 293.414 3.435 20 30 CGEDHN C=CCCOCCNCc1ccc2nc(C)ccc2c1 ZINC000189409002 375384226 /nfs/dbraw/zinc/38/42/26/375384226.db2.gz BPVFEBZEMZGOBE-UHFFFAOYSA-N 0 3 270.376 3.226 20 30 CGEDHN Cn1cc(CNCc2cccc(C(F)(F)F)c2)cc1C#N ZINC000189574385 375415108 /nfs/dbraw/zinc/41/51/08/375415108.db2.gz YERZAIAOLBOCCK-UHFFFAOYSA-N 0 3 293.292 3.205 20 30 CGEDHN Cn1cc(CN[C@H](c2ccccc2)C2CC2)cc1C#N ZINC000189585224 375418219 /nfs/dbraw/zinc/41/82/19/375418219.db2.gz VKPSIURGRZMTQS-QGZVFWFLSA-N 0 3 265.360 3.138 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000190739862 375535527 /nfs/dbraw/zinc/53/55/27/375535527.db2.gz DZKXITWEUFKSRS-KRWDZBQOSA-N 0 3 290.407 3.168 20 30 CGEDHN CC(C)[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191368484 375618871 /nfs/dbraw/zinc/61/88/71/375618871.db2.gz FCOBJJBDGORMSA-OAHLLOKOSA-N 0 3 259.397 3.155 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000335998073 375604488 /nfs/dbraw/zinc/60/44/88/375604488.db2.gz LWGWNXVROKYMOW-KWQFWETISA-N 0 3 280.780 3.153 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000498939482 375629291 /nfs/dbraw/zinc/62/92/91/375629291.db2.gz VPRAMVWAJSTOBV-LSDHHAIUSA-N 0 3 290.838 3.106 20 30 CGEDHN Cn1cc(CNCc2ccc(C3CC3)cc2)cc1C#N ZINC000191682733 375651175 /nfs/dbraw/zinc/65/11/75/375651175.db2.gz PIHFDTCIUWRAEO-UHFFFAOYSA-N 0 3 265.360 3.064 20 30 CGEDHN CC#CCCNCc1ccc(OCCCC)c(OC)c1 ZINC000499218062 375630970 /nfs/dbraw/zinc/63/09/70/375630970.db2.gz WYVAIRBJOVZRHB-UHFFFAOYSA-N 0 3 275.392 3.377 20 30 CGEDHN C=CCN(CCOCC(C)C)Cc1ccc(OC)cc1 ZINC000501162331 375639265 /nfs/dbraw/zinc/63/92/65/375639265.db2.gz IPCAKIDGRLNMNI-UHFFFAOYSA-N 0 3 277.408 3.356 20 30 CGEDHN CC(C)c1ccc(C[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000501656256 375641058 /nfs/dbraw/zinc/64/10/58/375641058.db2.gz OTHLSNLSEBNOMC-OLZOCXBDSA-N 0 3 258.365 3.017 20 30 CGEDHN C[C@H](CN(C)Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192176065 375706188 /nfs/dbraw/zinc/70/61/88/375706188.db2.gz VNQFHZSOUJWUOX-LLVKDONJSA-N 0 3 289.379 3.389 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(OC3CCCC3)CC2)C1 ZINC000336128810 375708191 /nfs/dbraw/zinc/70/81/91/375708191.db2.gz YQYYZPRZPOWWOF-ZIAGYGMSSA-N 0 3 262.397 3.102 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000192195545 375710246 /nfs/dbraw/zinc/71/02/46/375710246.db2.gz HGJHFDBXZFNSNW-IRXDYDNUSA-N 0 3 290.382 3.381 20 30 CGEDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192218070 375714327 /nfs/dbraw/zinc/71/43/27/375714327.db2.gz SFHKBZOGSQJCML-QGZVFWFLSA-N 0 3 290.382 3.070 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCC23CCOCC3)c1F ZINC000336388585 375785576 /nfs/dbraw/zinc/78/55/76/375785576.db2.gz WBMLBAPXDNVXEL-HNNXBMFYSA-N 0 3 288.366 3.136 20 30 CGEDHN C=C(C)CCN[C@@H](CCC)c1nnc2ccccn21 ZINC000509030751 375768261 /nfs/dbraw/zinc/76/82/61/375768261.db2.gz JXSOFLYNLUVYGI-ZDUSSCGKSA-N 0 3 258.369 3.126 20 30 CGEDHN CCC[C@@]1(NCC#Cc2ccc(Cl)cc2)CCOC1 ZINC000512270687 375796072 /nfs/dbraw/zinc/79/60/72/375796072.db2.gz PPGQIFCBBGSJSM-MRXNPFEDSA-N 0 3 277.795 3.240 20 30 CGEDHN CC(C)N(C)c1ccc(CN2CCC(CC#N)CC2)cn1 ZINC000516524996 375821239 /nfs/dbraw/zinc/82/12/39/375821239.db2.gz QGPIBIQAEFNCEZ-UHFFFAOYSA-N 0 3 286.423 3.052 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@](CO)(CCC)C1 ZINC000519478868 375840513 /nfs/dbraw/zinc/84/05/13/375840513.db2.gz ZCNTZJWJUKEUEE-GOSISDBHSA-N 0 3 289.419 3.236 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCCOC1CCCCC1)CC2 ZINC000520463147 375858124 /nfs/dbraw/zinc/85/81/24/375858124.db2.gz SPYQWGAZXIOGMK-GOSISDBHSA-N 0 3 284.403 3.484 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000336634371 375893553 /nfs/dbraw/zinc/89/35/53/375893553.db2.gz GJZSGRSCTZEFLI-MRXNPFEDSA-N 0 3 276.355 3.088 20 30 CGEDHN C=CCCCCN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528590998 375906183 /nfs/dbraw/zinc/90/61/83/375906183.db2.gz ADWWQXUVDPJTJX-UHFFFAOYSA-N 0 3 273.424 3.489 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194036726 375952921 /nfs/dbraw/zinc/95/29/21/375952921.db2.gz VGNUNSDJXKVKPT-BPQIPLTHSA-N 0 3 299.414 3.299 20 30 CGEDHN CCC(C#N)(CC)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000529487565 375926004 /nfs/dbraw/zinc/92/60/04/375926004.db2.gz WOWNFUVKJSAJAE-UHFFFAOYSA-N 0 3 291.370 3.156 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000530039161 375937718 /nfs/dbraw/zinc/93/77/18/375937718.db2.gz ZUYPBUYSAHIJAN-SMDDNHRTSA-N 0 3 274.339 3.080 20 30 CGEDHN CC[C@@H](C)CN(CC)Cc1cccc(C(=O)OC)c1C#N ZINC000535207731 376030669 /nfs/dbraw/zinc/03/06/69/376030669.db2.gz SWGNVSJASZBIJY-CYBMUJFWSA-N 0 3 288.391 3.213 20 30 CGEDHN C=CCN1CC[C@H](N(Cc2ccccc2)CC2CCC2)C1=O ZINC000337140956 376097024 /nfs/dbraw/zinc/09/70/24/376097024.db2.gz RPEQRCBZALEPCO-SFHVURJKSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CCN1CC[C@@H](N2CCCC[C@H]2CCC(C)C)C1=O ZINC000337176080 376114677 /nfs/dbraw/zinc/11/46/77/376114677.db2.gz IMKZWLLYFLHJTL-JKSUJKDBSA-N 0 3 278.440 3.064 20 30 CGEDHN CN(Cc1ccc2[nH]cnc2c1)Cc1cccc(C#N)c1 ZINC000535785400 376060744 /nfs/dbraw/zinc/06/07/44/376060744.db2.gz KFWHKXLDSVUELA-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN CN(Cc1ccc2nc[nH]c2c1)Cc1cccc(C#N)c1 ZINC000535785400 376060754 /nfs/dbraw/zinc/06/07/54/376060754.db2.gz KFWHKXLDSVUELA-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C=CCN(C[C@H](O)COc1cccc2ccccc21)C1CC1 ZINC000536743198 376128262 /nfs/dbraw/zinc/12/82/62/376128262.db2.gz RJNGNMZTIXEYSE-KRWDZBQOSA-N 0 3 297.398 3.230 20 30 CGEDHN C=CCCCN(C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000537636092 376186692 /nfs/dbraw/zinc/18/66/92/376186692.db2.gz KRQROMXJZJINGQ-ZDUSSCGKSA-N 0 3 275.392 3.417 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](CC2CCC2)c2ccccc2)C1=O ZINC000337189784 376125299 /nfs/dbraw/zinc/12/52/99/376125299.db2.gz RZDVLOLCJJYISA-ROUUACIJSA-N 0 3 298.430 3.294 20 30 CGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337517970 376227452 /nfs/dbraw/zinc/22/74/52/376227452.db2.gz WEPDAOKWEBZZHJ-UKRRQHHQSA-N 0 3 257.381 3.247 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000338026935 376254838 /nfs/dbraw/zinc/25/48/38/376254838.db2.gz LFMGLYNNGXPOQF-GHJWDPDVSA-N 0 3 288.366 3.494 20 30 CGEDHN C=CCc1cc(CN2C[C@@H](C)C[C@@H]2C)cc(OC)c1O ZINC000539837889 376339989 /nfs/dbraw/zinc/33/99/89/376339989.db2.gz BHXONIXLPVXZCZ-STQMWFEESA-N 0 3 275.392 3.360 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(OCCC)c(OC)c1 ZINC000539253564 376301869 /nfs/dbraw/zinc/30/18/69/376301869.db2.gz XIIGNHVTDOLULT-ZDUSSCGKSA-N 0 3 261.365 3.158 20 30 CGEDHN C=CCCC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000263662391 190071916 /nfs/dbraw/zinc/07/19/16/190071916.db2.gz KGKBNNFIZKJKMP-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN Cn1cc(CN2CCC(CC#N)CC2)c(-c2ccccc2)n1 ZINC000542853988 376587900 /nfs/dbraw/zinc/58/79/00/376587900.db2.gz KVDWAFMBMAYMTA-UHFFFAOYSA-N 0 3 294.402 3.213 20 30 CGEDHN CC[C@@H]1CO[C@H](C)CN1CCCCC(C)(C)C#N ZINC000233910627 376608118 /nfs/dbraw/zinc/60/81/18/376608118.db2.gz MTPQIBIJZWNBHG-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN CCN(C[C@@H](C)C#N)C[C@H]1CCc2ccccc2C1 ZINC000542917120 376592839 /nfs/dbraw/zinc/59/28/39/376592839.db2.gz UUUPFKQMLKASDW-GJZGRUSLSA-N 0 3 256.393 3.273 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000543448949 376644144 /nfs/dbraw/zinc/64/41/44/376644144.db2.gz NHQPOYCRNVNKCF-AWEZNQCLSA-N 0 3 295.810 3.062 20 30 CGEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1C ZINC000543780802 376677887 /nfs/dbraw/zinc/67/78/87/376677887.db2.gz KFLREFQKKGZHPU-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1cccc(C#N)n1)C(C)C ZINC000339220989 376737438 /nfs/dbraw/zinc/73/74/38/376737438.db2.gz WOAJEDAKGMBBPC-INIZCTEOSA-N 0 3 284.407 3.064 20 30 CGEDHN CC[C@H](C)CN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537099 376845201 /nfs/dbraw/zinc/84/52/01/376845201.db2.gz XYAZHMONWDIYGW-YOEHRIQHSA-N 0 3 299.418 3.032 20 30 CGEDHN CN1CC[C@@H](NCc2cc(C#N)cs2)[C@H]1c1ccccc1 ZINC000245617937 376870682 /nfs/dbraw/zinc/87/06/82/376870682.db2.gz DJBXTGJZUFRPLK-IAGOWNOFSA-N 0 3 297.427 3.155 20 30 CGEDHN C=CCC[C@@H](NCCN1CC[C@H](C)C1)c1ccco1 ZINC000556874041 376895691 /nfs/dbraw/zinc/89/56/91/376895691.db2.gz ZOQRGLJFJAQHGR-LSDHHAIUSA-N 0 3 262.397 3.218 20 30 CGEDHN COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)ccn1 ZINC000340461522 377074747 /nfs/dbraw/zinc/07/47/47/377074747.db2.gz JEWSJCXLBNJHIX-STQMWFEESA-N 0 3 281.359 3.374 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2C2CCC2)c1F ZINC000340942019 377329200 /nfs/dbraw/zinc/32/92/00/377329200.db2.gz QKJAHCNDLCDZAD-OAHLLOKOSA-N 0 3 258.340 3.462 20 30 CGEDHN CCCC[C@H](C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563217155 377423466 /nfs/dbraw/zinc/42/34/66/377423466.db2.gz MCGZQQSJLHTDTA-LBPRGKRZSA-N 0 3 275.352 3.477 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3cc(F)ccc32)C1 ZINC000248905099 377425727 /nfs/dbraw/zinc/42/57/27/377425727.db2.gz UTJLCYUSPLJGFL-XFJVYGCCSA-N 0 3 258.340 3.485 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCSC[C@H](C)C1 ZINC000248968501 377437150 /nfs/dbraw/zinc/43/71/50/377437150.db2.gz CVDXBYRTSQVVBY-CHWSQXEVSA-N 0 3 260.406 3.304 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249433175 377503849 /nfs/dbraw/zinc/50/38/49/377503849.db2.gz HTARFPVRFNWYLY-XJKSGUPXSA-N 0 3 280.375 3.222 20 30 CGEDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)C(C)C#N ZINC000341381156 377538235 /nfs/dbraw/zinc/53/82/35/377538235.db2.gz SEHVUZBTUZQHGV-IPYPFGDCSA-N 0 3 286.375 3.154 20 30 CGEDHN C=CCC[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC000569116457 377527157 /nfs/dbraw/zinc/52/71/57/377527157.db2.gz JKSRDZKHJPYNJN-WBVHZDCISA-N 0 3 286.419 3.152 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C)CC1 ZINC000249814320 377533855 /nfs/dbraw/zinc/53/38/55/377533855.db2.gz ABLJHPBSGJJVHH-UONOGXRCSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCCNCc1ccc(F)cc1Br ZINC000168731446 542178226 /nfs/dbraw/zinc/17/82/26/542178226.db2.gz XNOKSMLKSRCLER-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN CCCc1csc(CNCCc2cccc(C#N)c2)n1 ZINC000341492441 377593430 /nfs/dbraw/zinc/59/34/30/377593430.db2.gz VGQZSJKHSHRFPH-UHFFFAOYSA-N 0 3 285.416 3.300 20 30 CGEDHN N#CCC[C@@H](NC[C@@H]1CCCOC1)c1ccccc1 ZINC000342202578 377634202 /nfs/dbraw/zinc/63/42/02/377634202.db2.gz KGFJADXJJUFNRR-GOEBONIOSA-N 0 3 258.365 3.048 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000342729415 377760845 /nfs/dbraw/zinc/76/08/45/377760845.db2.gz DYSNZGDVRLHKRL-INIZCTEOSA-N 0 3 288.435 3.320 20 30 CGEDHN N#CCCCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255625563 377772373 /nfs/dbraw/zinc/77/23/73/377772373.db2.gz JNVFOVJZEGHYSA-YFHOEESVSA-N 0 3 283.419 3.011 20 30 CGEDHN CN(Cc1ccc(CC#N)cc1)[C@H](CCO)c1ccccc1 ZINC000343556965 378017351 /nfs/dbraw/zinc/01/73/51/378017351.db2.gz RMZURQQHCMFMCG-LJQANCHMSA-N 0 3 294.398 3.308 20 30 CGEDHN CN(Cc1ccccc1)C1CN(c2ccc(C#N)cc2F)C1 ZINC000343625630 378045440 /nfs/dbraw/zinc/04/54/40/378045440.db2.gz KSNSFRLCEAWNKO-UHFFFAOYSA-N 0 3 295.361 3.018 20 30 CGEDHN C=CCCCCNCc1cc(OC)c(OC)cc1F ZINC000578634143 378087476 /nfs/dbraw/zinc/08/74/76/378087476.db2.gz MTTDTFVKHGYFMA-UHFFFAOYSA-N 0 3 267.344 3.289 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000346117198 378468831 /nfs/dbraw/zinc/46/88/31/378468831.db2.gz XMQCGWABSXIHPT-WDEREUQCSA-N 0 3 298.308 3.254 20 30 CGEDHN CCN(CCCOc1cccc(C#N)c1)Cc1ccncc1 ZINC000270984456 378421700 /nfs/dbraw/zinc/42/17/00/378421700.db2.gz GRQICIHXJFNJSF-UHFFFAOYSA-N 0 3 295.386 3.244 20 30 CGEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000271455346 378493309 /nfs/dbraw/zinc/49/33/09/378493309.db2.gz DJDKCDIGHYRSDV-CVEARBPZSA-N 0 3 299.418 3.196 20 30 CGEDHN CC(C)(C)[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000346386179 378563887 /nfs/dbraw/zinc/56/38/87/378563887.db2.gz JOABAIKFLLHRHZ-CQSZACIVSA-N 0 3 282.391 3.074 20 30 CGEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(CO)c1 ZINC000272269640 378600826 /nfs/dbraw/zinc/60/08/26/378600826.db2.gz NDXIWCFQSSJJNI-AWEZNQCLSA-N 0 3 292.382 3.390 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000346943638 378697986 /nfs/dbraw/zinc/69/79/86/378697986.db2.gz LLARFYYLFGQCSP-HNNXBMFYSA-N 0 3 282.391 3.223 20 30 CGEDHN C=CCN(CCC[C@@H]1CCO1)Cc1ccc(OC)cc1 ZINC000637959605 378647122 /nfs/dbraw/zinc/64/71/22/378647122.db2.gz HQLUUWQTTROUAL-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOCCCN1CCc2sccc2[C@H]1C ZINC000347965829 378742272 /nfs/dbraw/zinc/74/22/72/378742272.db2.gz FHEAAPDXEOEROF-GFCCVEGCSA-N 0 3 251.395 3.260 20 30 CGEDHN N#Cc1cccc(C2(N[C@H]3CCCSC3)CC2)c1 ZINC000272886656 378716874 /nfs/dbraw/zinc/71/68/74/378716874.db2.gz RRSFWDMAMZSKMI-AWEZNQCLSA-N 0 3 258.390 3.033 20 30 CGEDHN C#CCN(CCCC(=O)Nc1c(C)cccc1C)C1CC1 ZINC000274247721 378797777 /nfs/dbraw/zinc/79/77/77/378797777.db2.gz YZKCFZIFXLPZAK-UHFFFAOYSA-N 0 3 284.403 3.120 20 30 CGEDHN C=CCCCCNCc1cnc([C@H]2CCCO2)s1 ZINC000274613680 378861958 /nfs/dbraw/zinc/86/19/58/378861958.db2.gz UJLFWBKTNLAMOX-CYBMUJFWSA-N 0 3 266.410 3.441 20 30 CGEDHN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccc(C#N)cc1 ZINC000348256392 378868702 /nfs/dbraw/zinc/86/87/02/378868702.db2.gz MKGVCQXFSTXMJC-FRRDWIJNSA-N 0 3 250.292 3.253 20 30 CGEDHN CN(CCSc1cc(C#N)ccn1)Cc1ccccc1 ZINC000278518746 194023286 /nfs/dbraw/zinc/02/32/86/194023286.db2.gz GFVXPPKZZYZNEB-UHFFFAOYSA-N 0 3 283.400 3.177 20 30 CGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCC1(C#N)CC1 ZINC000348300488 378893506 /nfs/dbraw/zinc/89/35/06/378893506.db2.gz BBZIEVSWRNFSFY-KRWDZBQOSA-N 0 3 285.435 3.036 20 30 CGEDHN Cn1cc(CN(CCc2ccc(F)cc2)C2CC2)cc1C#N ZINC000276782072 378996391 /nfs/dbraw/zinc/99/63/91/378996391.db2.gz QWIHIIMTPRBYIU-UHFFFAOYSA-N 0 3 297.377 3.243 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1CCSCC1 ZINC000639163377 379081902 /nfs/dbraw/zinc/08/19/02/379081902.db2.gz XKXNHULFGQIHBH-UHFFFAOYSA-N 0 3 295.448 3.293 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NC2CC(F)(F)C2)cc1 ZINC000277207920 379097016 /nfs/dbraw/zinc/09/70/16/379097016.db2.gz WGXQXWKDCXTSTO-LLVKDONJSA-N 0 3 265.303 3.147 20 30 CGEDHN C=C1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000266490363 190261047 /nfs/dbraw/zinc/26/10/47/190261047.db2.gz XDQBZQOKVRXDIH-UHFFFAOYSA-N 0 3 298.386 3.287 20 30 CGEDHN C=CCN1CCC(Nc2ccnc3ccsc32)CC1 ZINC000266427037 190256776 /nfs/dbraw/zinc/25/67/76/190256776.db2.gz SZTKZEOKKXSGBB-UHFFFAOYSA-N 0 3 273.405 3.359 20 30 CGEDHN C=CC[C@H]1N(Cc2cn3cccnc3n2)CCCC1(C)C ZINC000277749225 379226961 /nfs/dbraw/zinc/22/69/61/379226961.db2.gz LLPOOOOEZJXDCJ-OAHLLOKOSA-N 0 3 284.407 3.296 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000349417164 379272748 /nfs/dbraw/zinc/27/27/48/379272748.db2.gz PPBRHFRCWQUMEV-OSAQELSMSA-N 0 3 274.339 3.321 20 30 CGEDHN CC[C@@H](NCc1cnn(CC)c1)c1ccc(C#N)cc1 ZINC000278158416 379304394 /nfs/dbraw/zinc/30/43/94/379304394.db2.gz ASOUSYSJODPMNU-MRXNPFEDSA-N 0 3 268.364 3.016 20 30 CGEDHN C=CCCCCCN1CCC=C(c2cnn(C)c2)C1 ZINC000639796031 379589087 /nfs/dbraw/zinc/58/90/87/379589087.db2.gz FCHBZVXLJBFBHJ-UHFFFAOYSA-N 0 3 259.397 3.256 20 30 CGEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCCOC1 ZINC000352202172 379754140 /nfs/dbraw/zinc/75/41/40/379754140.db2.gz ILBGYROHOYTZAB-HNNXBMFYSA-N 0 3 272.392 3.099 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000280812411 379797492 /nfs/dbraw/zinc/79/74/92/379797492.db2.gz MHGNHMNVZSEYNX-CPUCHLNUSA-N 0 3 275.392 3.332 20 30 CGEDHN C=CCc1cc(CN(C)CCCSC)cc(OC)c1O ZINC000281313553 379827717 /nfs/dbraw/zinc/82/77/17/379827717.db2.gz QRMPJJZLNCUCAV-UHFFFAOYSA-N 0 3 295.448 3.314 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399682069 379943198 /nfs/dbraw/zinc/94/31/98/379943198.db2.gz RJHFKZONOYXHKO-YNEHKIRRSA-N 0 3 258.365 3.043 20 30 CGEDHN N#Cc1csc(CN[C@@H](Cc2ccccc2)C2CC2)n1 ZINC000352838866 379994767 /nfs/dbraw/zinc/99/47/67/379994767.db2.gz RHBLHWYDNXEZCK-HNNXBMFYSA-N 0 3 283.400 3.126 20 30 CGEDHN C[C@H](CCC#N)N1CCC(OC2CCCCC2)CC1 ZINC000411229425 380136508 /nfs/dbraw/zinc/13/65/08/380136508.db2.gz WZNGQIRKMBMEDC-CQSZACIVSA-N 0 3 264.413 3.492 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000411406116 380145208 /nfs/dbraw/zinc/14/52/08/380145208.db2.gz BKTHPXIERGBAJS-IUODEOHRSA-N 0 3 278.783 3.485 20 30 CGEDHN Cc1cccc2c1OC[C@@H](NCc1ccc(C#N)cc1F)C2 ZINC000353070824 380103512 /nfs/dbraw/zinc/10/35/12/380103512.db2.gz IOFNYMMXHHTADT-INIZCTEOSA-N 0 3 296.345 3.099 20 30 CGEDHN CC(C)CN1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411116941 380130277 /nfs/dbraw/zinc/13/02/77/380130277.db2.gz AHAWWMMJKMUJRO-UHFFFAOYSA-N 0 3 277.456 3.124 20 30 CGEDHN C=CCN(CCc1cncs1)Cc1cccc(C#N)c1 ZINC000411189994 380133541 /nfs/dbraw/zinc/13/35/41/380133541.db2.gz GVEDRARRALZQEL-UHFFFAOYSA-N 0 3 283.400 3.245 20 30 CGEDHN C=CCN(CCc1ccco1)C1CC(OC(C)C)C1 ZINC000411488504 380149085 /nfs/dbraw/zinc/14/90/85/380149085.db2.gz INURFFLBGGONGF-UHFFFAOYSA-N 0 3 263.381 3.266 20 30 CGEDHN CO[C@H](c1ccccc1)[C@H](C)NCC(C)(C)CC#N ZINC000414167821 380197282 /nfs/dbraw/zinc/19/72/82/380197282.db2.gz PTMUOIBUPMYVQC-ZFWWWQNUSA-N 0 3 260.381 3.292 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000414170644 380197465 /nfs/dbraw/zinc/19/74/65/380197465.db2.gz SXKUZOBDAVGVRW-OAHLLOKOSA-N 0 3 253.349 3.075 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000414171798 380198407 /nfs/dbraw/zinc/19/84/07/380198407.db2.gz VHBVUMOCVJVTCE-ZDUSSCGKSA-N 0 3 289.354 3.129 20 30 CGEDHN CCCCOC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000353998601 380272170 /nfs/dbraw/zinc/27/21/70/380272170.db2.gz WNCXBSIMBCXGLQ-UHFFFAOYSA-N 0 3 272.392 3.339 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(c2c[nH]cn2)CC1 ZINC000353921473 380236106 /nfs/dbraw/zinc/23/61/06/380236106.db2.gz HTBYAUIBLUGYMP-UHFFFAOYSA-N 0 3 297.402 3.354 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000414585655 380329344 /nfs/dbraw/zinc/32/93/44/380329344.db2.gz ODJBZFLEXLQXRK-KRWDZBQOSA-N 0 3 295.361 3.066 20 30 CGEDHN C[C@H](N[C@H]1CSC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000354012360 380278770 /nfs/dbraw/zinc/27/87/70/380278770.db2.gz ZEGPQBFAGMYBLT-BHDSKKPTSA-N 0 3 264.369 3.099 20 30 CGEDHN C=CCSCCN[C@@H](c1ccc(F)cn1)C(C)C ZINC000354036039 380292326 /nfs/dbraw/zinc/29/23/26/380292326.db2.gz QGNWIVIBECTYHG-CQSZACIVSA-N 0 3 268.401 3.427 20 30 CGEDHN Cc1cc(CNCC2(C(F)F)CC2)ccc1C#N ZINC000355166553 380606397 /nfs/dbraw/zinc/60/63/97/380606397.db2.gz QQDYABOKPXMQJR-UHFFFAOYSA-N 0 3 250.292 3.002 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645206728 380615279 /nfs/dbraw/zinc/61/52/79/380615279.db2.gz ZVDASFGZLYRONG-KGLIPLIRSA-N 0 3 285.366 3.464 20 30 CGEDHN N#Cc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cc1F ZINC000421382303 380927432 /nfs/dbraw/zinc/92/74/32/380927432.db2.gz MNMIYFCTZSNDST-NVXWUHKLSA-N 0 3 270.351 3.318 20 30 CGEDHN CC(C)[C@H]1C[C@H](NCc2ccc(C#N)s2)CS1 ZINC000421348409 380888209 /nfs/dbraw/zinc/88/82/09/380888209.db2.gz FXCIQTOHIMNMGH-GXFFZTMASA-N 0 3 266.435 3.239 20 30 CGEDHN Fc1ccc(C#CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000279269246 194360580 /nfs/dbraw/zinc/36/05/80/194360580.db2.gz NDPKTLCNDYVRBK-KSZLIROESA-N 0 3 299.389 3.115 20 30 CGEDHN C=CCCOCCN[C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000358367216 381305086 /nfs/dbraw/zinc/30/50/86/381305086.db2.gz KQEZWMZKOXWAAX-WBMJQRKESA-N 0 3 263.356 3.241 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000357788076 381283078 /nfs/dbraw/zinc/28/30/78/381283078.db2.gz IRACKPJKQBKLPY-QWHCGFSZSA-N 0 3 258.365 3.019 20 30 CGEDHN C=CCCCCCN(CCO)Cc1ccc(C)o1 ZINC000361508671 381780247 /nfs/dbraw/zinc/78/02/47/381780247.db2.gz OGLJAUMLHHJOLF-UHFFFAOYSA-N 0 3 251.370 3.129 20 30 CGEDHN C=CCN(CCOC)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000361648661 381858512 /nfs/dbraw/zinc/85/85/12/381858512.db2.gz UAEPESLHQWTLAU-UHFFFAOYSA-N 0 3 275.392 3.035 20 30 CGEDHN C=CCOCCN[C@@H]1CCCOc2cc(C)ccc21 ZINC000361742869 381866556 /nfs/dbraw/zinc/86/65/56/381866556.db2.gz HDCFUKWUFXOJAR-OAHLLOKOSA-N 0 3 261.365 3.001 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@](C)(CC)C1 ZINC000362390378 381970958 /nfs/dbraw/zinc/97/09/58/381970958.db2.gz ITYUFWXDUAAZDL-RDJZCZTQSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000363592007 382237190 /nfs/dbraw/zinc/23/71/90/382237190.db2.gz JQIDLQNJWXXNHB-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCCCCN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366447291 382309475 /nfs/dbraw/zinc/30/94/75/382309475.db2.gz ZVKXGBOQJVDFHQ-OAHLLOKOSA-N 0 3 287.469 3.022 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000366787152 382317822 /nfs/dbraw/zinc/31/78/22/382317822.db2.gz KLZPJJYAPVYJNK-CQSZACIVSA-N 0 3 274.339 3.323 20 30 CGEDHN Cc1oc(C#N)cc1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000281011033 195068590 /nfs/dbraw/zinc/06/85/90/195068590.db2.gz HIASGXKMODYNQY-UHFFFAOYSA-N 0 3 297.358 3.082 20 30 CGEDHN COc1cc2c(cc1F)CC[C@H]2NCc1cccc(C#N)c1 ZINC000281135875 195118755 /nfs/dbraw/zinc/11/87/55/195118755.db2.gz FKDGJIBPPUAWRC-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN C=CCOCCNCc1ccc(Cl)c(Cl)c1 ZINC000303551864 542415522 /nfs/dbraw/zinc/41/55/22/542415522.db2.gz SMEQUNPXPDOSQI-UHFFFAOYSA-N 0 3 260.164 3.286 20 30 CGEDHN C[C@H](N[C@H]1CCCc2c1cnn2C)c1cccc(C#N)c1 ZINC000037304891 391980117 /nfs/dbraw/zinc/98/01/17/391980117.db2.gz CWLQLGBRZXGXGS-LRDDRELGSA-N 0 3 280.375 3.020 20 30 CGEDHN N#Cc1c(Cl)cccc1N1CCN(C2CCCC2)CC1 ZINC000055387562 392097785 /nfs/dbraw/zinc/09/77/85/392097785.db2.gz NUITUSMCDMHKNS-UHFFFAOYSA-N 0 3 289.810 3.276 20 30 CGEDHN C=CCC[C@H](NC[C@@]1(N(C)C)CCSC1)c1ccco1 ZINC000286190880 392379221 /nfs/dbraw/zinc/37/92/21/392379221.db2.gz RHSHRSFSRLHYDX-HOCLYGCPSA-N 0 3 294.464 3.314 20 30 CGEDHN C=C(C)COc1cc(CN[C@H](C)[C@H](C)OC)ccc1OC ZINC000289781658 392431098 /nfs/dbraw/zinc/43/10/98/392431098.db2.gz KMXBXYSQVOZYLA-KGLIPLIRSA-N 0 3 293.407 3.163 20 30 CGEDHN C=C(C)COc1cc(CN[C@H](C)[C@@H](C)OC)ccc1OC ZINC000289781661 392431608 /nfs/dbraw/zinc/43/16/08/392431608.db2.gz KMXBXYSQVOZYLA-ZIAGYGMSSA-N 0 3 293.407 3.163 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1cccc(Cl)c1 ZINC000121164238 392408050 /nfs/dbraw/zinc/40/80/50/392408050.db2.gz LCXSNUPCJWKMQH-CQSZACIVSA-N 0 3 253.773 3.099 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000291784205 392482127 /nfs/dbraw/zinc/48/21/27/392482127.db2.gz VIKLAKPJBSUBMS-PXAZEXFGSA-N 0 3 298.411 3.412 20 30 CGEDHN CC(C)[C@@H](C)N(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000505259326 392653291 /nfs/dbraw/zinc/65/32/91/392653291.db2.gz GGRQWBVBVBMTKY-CYBMUJFWSA-N 0 3 282.391 3.215 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000183366858 392755963 /nfs/dbraw/zinc/75/59/63/392755963.db2.gz UVFHQZPYBDEJAB-SFHVURJKSA-N 0 3 296.345 3.351 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Nc3ccc(F)cc3)CC2)C1 ZINC000334263893 392716155 /nfs/dbraw/zinc/71/61/55/392716155.db2.gz KFYWFBUWLXOCJW-CXAGYDPISA-N 0 3 287.382 3.394 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000335721647 392810718 /nfs/dbraw/zinc/81/07/18/392810718.db2.gz GOOMJSCSPIQMSI-LLVKDONJSA-N 0 3 299.399 3.162 20 30 CGEDHN C[C@H]1CC[C@H](CN(Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000190460437 392815666 /nfs/dbraw/zinc/81/56/66/392815666.db2.gz BHLKVLWRASRMPA-SUMWQHHRSA-N 0 3 270.376 3.090 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(OCCc3ccccc3)CC2)C1 ZINC000338934658 392936259 /nfs/dbraw/zinc/93/62/59/392936259.db2.gz RGEYTTATRHRXOS-ROUUACIJSA-N 0 3 298.430 3.402 20 30 CGEDHN C=CCOCCN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000339078297 392945502 /nfs/dbraw/zinc/94/55/02/392945502.db2.gz QBELGXLASGNZHQ-IUODEOHRSA-N 0 3 283.799 3.208 20 30 CGEDHN COc1c(C)cc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000338956306 392937883 /nfs/dbraw/zinc/93/78/83/392937883.db2.gz WVOXANDLWJRZQS-GOEBONIOSA-N 0 3 272.392 3.436 20 30 CGEDHN C[C@@H](CCC#N)N1CC2(CCCC2)OC(C)(C)C1 ZINC000411626106 392982061 /nfs/dbraw/zinc/98/20/61/392982061.db2.gz WHBLLCAGRGTOCT-ZDUSSCGKSA-N 0 3 250.386 3.102 20 30 CGEDHN CCOc1cccc(CCNCc2ccc(C#N)cc2F)c1 ZINC000532570444 392994152 /nfs/dbraw/zinc/99/41/52/392994152.db2.gz YCDQCCFZYPDMMQ-UHFFFAOYSA-N 0 3 298.361 3.428 20 30 CGEDHN COc1cccc(C[C@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000533445655 392996086 /nfs/dbraw/zinc/99/60/86/392996086.db2.gz HUIJTOCIRFHYRL-ZDUSSCGKSA-N 0 3 298.361 3.427 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342820106 393009311 /nfs/dbraw/zinc/00/93/11/393009311.db2.gz FYCAMBXVSKSCGB-AEFFLSMTSA-N 0 3 287.403 3.395 20 30 CGEDHN COCC1(C#N)CCN(Cc2cc(C)c(C)cc2C)CC1 ZINC000342845851 393010348 /nfs/dbraw/zinc/01/03/48/393010348.db2.gz YFGKRZFATCVMDG-UHFFFAOYSA-N 0 3 286.419 3.364 20 30 CGEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1C(C)C ZINC000344722098 393048179 /nfs/dbraw/zinc/04/81/79/393048179.db2.gz IOHIMRHAQCBDKF-HNNXBMFYSA-N 0 3 296.374 3.274 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC2(CCC2)C1 ZINC000348183206 393116344 /nfs/dbraw/zinc/11/63/44/393116344.db2.gz SVNXYNJOLGWIGT-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCc2nc3ccccc3s2)C1 ZINC000348902404 393134284 /nfs/dbraw/zinc/13/42/84/393134284.db2.gz CECMDHACPTXVAN-RYUDHWBXSA-N 0 3 271.389 3.121 20 30 CGEDHN CN(CCN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353425089 393221400 /nfs/dbraw/zinc/22/14/00/393221400.db2.gz IMSQVRNKADCTGH-IBGZPJMESA-N 0 3 291.398 3.272 20 30 CGEDHN C=C(C)CN1CCN(CC(=C)C)[C@@H]([C@@H](C)CC)C1 ZINC000270010179 393234128 /nfs/dbraw/zinc/23/41/28/393234128.db2.gz LPPCSQRYHWALML-JKSUJKDBSA-N 0 3 250.430 3.171 20 30 CGEDHN CC[C@H](N[C@H]1CCCc2c1cnn2C)c1ccc(C#N)cc1 ZINC000278157097 393316060 /nfs/dbraw/zinc/31/60/60/393316060.db2.gz AXIAPCACSZZSOO-IRXDYDNUSA-N 0 3 294.402 3.410 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(C#N)cc1 ZINC000278367400 393319707 /nfs/dbraw/zinc/31/97/07/393319707.db2.gz BWKZKROSNLALEQ-XHDPSFHLSA-N 0 3 254.337 3.083 20 30 CGEDHN C[C@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCN1C ZINC000475516754 393406423 /nfs/dbraw/zinc/40/64/23/393406423.db2.gz OBENEVYQCOKBSO-CMPLNLGQSA-N 0 3 297.324 3.472 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1F)[C@@H]1CCC[C@H]1C ZINC000488100814 393458296 /nfs/dbraw/zinc/45/82/96/393458296.db2.gz ZGESRDDXRGGHJX-CXAGYDPISA-N 0 3 290.382 3.334 20 30 CGEDHN Cc1cc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)ccc1C#N ZINC000488171596 393466638 /nfs/dbraw/zinc/46/66/38/393466638.db2.gz PEKWYBQWVUQQIA-KRWDZBQOSA-N 0 3 296.418 3.477 20 30 CGEDHN Cc1cc(CN2CCS[C@H](C)[C@@H]2C)ccc1C#N ZINC000488413377 393503916 /nfs/dbraw/zinc/50/39/16/393503916.db2.gz ZIYWSIODTQKDRO-QWHCGFSZSA-N 0 3 260.406 3.193 20 30 CGEDHN C=CCCCC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000359534014 393550672 /nfs/dbraw/zinc/55/06/72/393550672.db2.gz BBIXHAPBWWPWDX-KBPBESRZSA-N 0 3 278.396 3.181 20 30 CGEDHN CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1cc(C#N)n(C)c1 ZINC000449559764 393902993 /nfs/dbraw/zinc/90/29/93/393902993.db2.gz ZAPKCHLMYQXIEJ-HZPDHXFCSA-N 0 3 259.397 3.009 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCCC(C)(C)C1 ZINC000446066214 393844432 /nfs/dbraw/zinc/84/44/32/393844432.db2.gz JJOMFIQMJBDOIU-CQSZACIVSA-N 0 3 299.418 3.397 20 30 CGEDHN CO[C@H]1C[C@H](N(C)Cc2cc(C#N)cs2)C12CCC2 ZINC000449627819 393926313 /nfs/dbraw/zinc/92/63/13/393926313.db2.gz AUTPICMDGZSDLG-KBPBESRZSA-N 0 3 276.405 3.009 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667473526 542873013 /nfs/dbraw/zinc/87/30/13/542873013.db2.gz MSOYRMDKRWKNGQ-HNNXBMFYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CCCN(C)Cc1cncc(Br)c1C ZINC000668039955 542962531 /nfs/dbraw/zinc/96/25/31/542962531.db2.gz GWZBPNXJBUBENB-UHFFFAOYSA-N 0 3 269.186 3.160 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnc(C)n2C)CCCC1(C)C ZINC000668070547 542965442 /nfs/dbraw/zinc/96/54/42/542965442.db2.gz STEHOSFMMOGJCP-HNNXBMFYSA-N 0 3 261.413 3.295 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000668493569 543020635 /nfs/dbraw/zinc/02/06/35/543020635.db2.gz PBXFLJPVGRBCLL-OAHLLOKOSA-N 0 3 284.407 3.134 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000672576995 543217598 /nfs/dbraw/zinc/21/75/98/543217598.db2.gz ABCQRTMBFPIONC-OCCSQVGLSA-N 0 3 275.392 3.465 20 30 CGEDHN C=CCOc1cccc(CN[C@H]2CNc3ccccc3C2)c1 ZINC000650716721 397900755 /nfs/dbraw/zinc/90/07/55/397900755.db2.gz HTEHKZOYDAIDEE-QGZVFWFLSA-N 0 3 294.398 3.378 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccc(N(C)C)nc1 ZINC000678214898 543494983 /nfs/dbraw/zinc/49/49/83/543494983.db2.gz JUDFLLXAOVZMNA-UHFFFAOYSA-N 0 3 295.430 3.378 20 30 CGEDHN C=C(CC)CN[C@@H](Cn1cccn1)c1ccccc1 ZINC000678626557 543547459 /nfs/dbraw/zinc/54/74/59/543547459.db2.gz GBGYSEGHYWBPQB-INIZCTEOSA-N 0 3 255.365 3.180 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000678737314 543552336 /nfs/dbraw/zinc/55/23/36/543552336.db2.gz NZIQUKPXBJPOJH-GWCFXTLKSA-N 0 3 289.297 3.173 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000678723872 543550542 /nfs/dbraw/zinc/55/05/42/543550542.db2.gz BOMQEVXVCRDVBZ-DZGCQCFKSA-N 0 3 293.407 3.072 20 30 CGEDHN CC[C@H](NCC#CCOC)c1ccc(Cl)cc1 ZINC000678735683 543551306 /nfs/dbraw/zinc/55/13/06/543551306.db2.gz VZCYWJBLTRKCSC-AWEZNQCLSA-N 0 3 251.757 3.031 20 30 CGEDHN COc1ccc(CCCN(C)Cc2ccc(C#N)o2)cc1 ZINC000092163645 165282737 /nfs/dbraw/zinc/28/27/37/165282737.db2.gz MJBODTAQSNFHIE-UHFFFAOYSA-N 0 3 284.359 3.224 20 30 CGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000007379292 170281035 /nfs/dbraw/zinc/28/10/35/170281035.db2.gz MINJWYRQLDDQJK-KGLIPLIRSA-N 0 3 293.370 3.236 20 30 CGEDHN C[C@H](N[C@@H](C)c1cccnc1)c1ccc(C#N)cc1 ZINC000020127563 171012783 /nfs/dbraw/zinc/01/27/83/171012783.db2.gz KVQVSAQWTPBMDM-STQMWFEESA-N 0 3 251.333 3.365 20 30 CGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000679361690 543629738 /nfs/dbraw/zinc/62/97/38/543629738.db2.gz UVBLYQKQLLKTNK-UHFFFAOYSA-N 0 3 271.364 3.093 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccccc1OC(F)(F)F ZINC000679575967 543648139 /nfs/dbraw/zinc/64/81/39/543648139.db2.gz FSQVVCYZDZREQO-LLVKDONJSA-N 0 3 289.297 3.438 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc2c(s1)CCC2 ZINC000679576798 543649335 /nfs/dbraw/zinc/64/93/35/543649335.db2.gz UPNFUXUJFJVXPX-LLVKDONJSA-N 0 3 251.395 3.090 20 30 CGEDHN C=CCN1CCC(NC(=O)CCCC[C@@H](C)CC)CC1 ZINC000680190089 543689253 /nfs/dbraw/zinc/68/92/53/543689253.db2.gz NEQGLZXXWGXBFG-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1nn(C)c2ccccc12 ZINC000680635526 543721244 /nfs/dbraw/zinc/72/12/44/543721244.db2.gz AKNAWNJVEDZOPY-OLZOCXBDSA-N 0 3 257.381 3.264 20 30 CGEDHN C=CCOCCNCc1ccc(C(F)(F)F)cc1C ZINC000682373517 543837709 /nfs/dbraw/zinc/83/77/09/543837709.db2.gz BQMLNJDOJOXHTR-UHFFFAOYSA-N 0 3 273.298 3.306 20 30 CGEDHN C=CCCN(C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000682435054 543845113 /nfs/dbraw/zinc/84/51/13/543845113.db2.gz IPFGOMIFMBHFQO-UHFFFAOYSA-N 0 3 253.729 3.077 20 30 CGEDHN CC(C#N)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000347045053 226027061 /nfs/dbraw/zinc/02/70/61/226027061.db2.gz YZQGSZBROWJQME-CYBMUJFWSA-N 0 3 280.327 3.255 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nc(C)sc1C ZINC000684773955 544028371 /nfs/dbraw/zinc/02/83/71/544028371.db2.gz MVJSLZYPBNXZPJ-YVLXSGLVSA-N 0 3 280.437 3.392 20 30 CGEDHN C=C(C)C[C@H](C)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000685325478 544062864 /nfs/dbraw/zinc/06/28/64/544062864.db2.gz GBOFHQXJVOGUHM-FUDCBSFHSA-N 0 3 275.396 3.480 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(Oc2ccncc2C)CC1 ZINC000685579272 544086405 /nfs/dbraw/zinc/08/64/05/544086405.db2.gz VIMBAFYRYKKTBM-OAHLLOKOSA-N 0 3 272.392 3.035 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000171695528 335074953 /nfs/dbraw/zinc/07/49/53/335074953.db2.gz TVTWGUKCTHGMSE-HNNXBMFYSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CN)c1 ZINC000659017531 418956156 /nfs/dbraw/zinc/95/61/56/418956156.db2.gz FTBXWZNNLMTWDV-ZBFHGGJFSA-N 0 3 287.407 3.402 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659022319 418958484 /nfs/dbraw/zinc/95/84/84/418958484.db2.gz MHQPMRAZDPTQBB-CYBMUJFWSA-N 0 3 285.391 3.110 20 30 CGEDHN C=CCN(CCO[C@@H]1CC1(F)F)CCc1ccccc1 ZINC000659856227 419015816 /nfs/dbraw/zinc/01/58/16/419015816.db2.gz AJDLCHDPCNFHMA-OAHLLOKOSA-N 0 3 281.346 3.141 20 30 CGEDHN C=CCCCCCN(C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000659947031 419041590 /nfs/dbraw/zinc/04/15/90/419041590.db2.gz LKLBQCGJQYRLNB-ARFHVFGLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H]1CCCn2ccnc21 ZINC000655777835 419095955 /nfs/dbraw/zinc/09/59/55/419095955.db2.gz ZQUIEUWAIRZZCM-IRXDYDNUSA-N 0 3 281.403 3.495 20 30 CGEDHN C=C[C@@H]1CCCCN1CCc1noc2ccccc21 ZINC000653648372 419064439 /nfs/dbraw/zinc/06/44/39/419064439.db2.gz UKYDIAJZCXGULC-CYBMUJFWSA-N 0 3 256.349 3.411 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@H](N)CC)nn1 ZINC000656457242 419173250 /nfs/dbraw/zinc/17/32/50/419173250.db2.gz IDJFMJVURAOROU-HUUCEWRRSA-N 0 3 270.380 3.048 20 30 CGEDHN OCC1(N(CC#Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC000660785431 419196373 /nfs/dbraw/zinc/19/63/73/419196373.db2.gz JLTZNANFZBGVDI-UHFFFAOYSA-N 0 3 289.806 3.071 20 30 CGEDHN C=CCN(Cc1ccc2ncccc2c1)[C@@H](C)COC ZINC000661240770 419243193 /nfs/dbraw/zinc/24/31/93/419243193.db2.gz QXFZQEKMUGRFDZ-AWEZNQCLSA-N 0 3 270.376 3.258 20 30 CGEDHN C=CCN(CCc1c(F)cccc1F)[C@@H](C)COC ZINC000661239462 419243753 /nfs/dbraw/zinc/24/37/53/419243753.db2.gz MLXOXVLCDPTNCN-LBPRGKRZSA-N 0 3 269.335 3.030 20 30 CGEDHN C=CCCn1cc(CNCC[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000657362645 419260412 /nfs/dbraw/zinc/26/04/12/419260412.db2.gz FOWBSKFIKHZMJJ-CABCVRRESA-N 0 3 276.428 3.160 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](c1ccccc1F)C(C)C ZINC000661484537 419263846 /nfs/dbraw/zinc/26/38/46/419263846.db2.gz LQXDMRXRDGWXBP-CABCVRRESA-N 0 3 251.345 3.049 20 30 CGEDHN C[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@H]1CCO ZINC000661493082 419266810 /nfs/dbraw/zinc/26/68/10/419266810.db2.gz NJFHFZVBYPJVRQ-PBHICJAKSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C2CCC2)n1C ZINC000661115541 419231731 /nfs/dbraw/zinc/23/17/31/419231731.db2.gz TXKNIJGCLHTWKG-UKRRQHHQSA-N 0 3 288.439 3.307 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncnn1CC(C)C ZINC000661116286 419232085 /nfs/dbraw/zinc/23/20/85/419232085.db2.gz XTBVGJRMONXHJC-HUUCEWRRSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCOCCN(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661196444 419239979 /nfs/dbraw/zinc/23/99/79/419239979.db2.gz SBZNIKQYBFAHJV-QGZVFWFLSA-N 0 3 289.419 3.259 20 30 CGEDHN C=CCCn1cc(CNCC[C@H]2CCc3ccccc32)nn1 ZINC000657477524 419288282 /nfs/dbraw/zinc/28/82/82/419288282.db2.gz OPQZKTWAYAPPSK-MRXNPFEDSA-N 0 3 296.418 3.064 20 30 CGEDHN C=CCOc1cccc(CNC[C@H]2CCC[C@H](C)O2)c1 ZINC000657666299 419323097 /nfs/dbraw/zinc/32/30/97/419323097.db2.gz SIJOWYSGMZJGIA-WMLDXEAASA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOCCCNCc1cc(C)ccc1OC(F)F ZINC000657658394 419320895 /nfs/dbraw/zinc/32/08/95/419320895.db2.gz VUSDFQRDQZFELZ-UHFFFAOYSA-N 0 3 285.334 3.279 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nncn1-c1ccccc1 ZINC000657835382 419379034 /nfs/dbraw/zinc/37/90/34/419379034.db2.gz PQJRGASWOVXQHZ-WBVHZDCISA-N 0 3 296.418 3.492 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](CCO)c1ccco1 ZINC000657977809 419472808 /nfs/dbraw/zinc/47/28/08/419472808.db2.gz FQSHPHFRLNBLCE-RBSFLKMASA-N 0 3 263.381 3.428 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CCO)c1ccco1 ZINC000657977806 419473826 /nfs/dbraw/zinc/47/38/26/419473826.db2.gz FQSHPHFRLNBLCE-ILXRZTDVSA-N 0 3 263.381 3.428 20 30 CGEDHN C=CCC[C@H](CC)NCc1nccc(OC)c1F ZINC000658228033 419685548 /nfs/dbraw/zinc/68/55/48/419685548.db2.gz MVPKGOACTDBWGX-NSHDSACASA-N 0 3 252.333 3.064 20 30 CGEDHN C=CCC[C@H](NCCc1cncc(C)n1)c1ccco1 ZINC000658261188 419715210 /nfs/dbraw/zinc/71/52/10/419715210.db2.gz GJQJWIZEMDGASK-HNNXBMFYSA-N 0 3 271.364 3.218 20 30 CGEDHN N#CC(C(=O)c1coc2ccccc12)c1ccccn1 ZINC000073088453 260165142 /nfs/dbraw/zinc/16/51/42/260165142.db2.gz DLYJBTSCWXWYBF-GFCCVEGCSA-N 0 3 262.268 3.318 20 30 CGEDHN CCC(CC)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000409446726 260409935 /nfs/dbraw/zinc/40/99/35/260409935.db2.gz NWPBAICACAGQFL-GOSISDBHSA-N 0 3 285.435 3.305 20 30 CGEDHN C#CCN(CC)Cc1cccc(-c2cccnc2)c1 ZINC000490897117 261240755 /nfs/dbraw/zinc/24/07/55/261240755.db2.gz AAKSXRPBWOOMPB-UHFFFAOYSA-N 0 3 250.345 3.204 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCOCC2(CCC2)C1 ZINC000363889025 262010817 /nfs/dbraw/zinc/01/08/17/262010817.db2.gz RWGCXYBYPQAYSR-UHFFFAOYSA-N 0 3 298.430 3.490 20 30 CGEDHN CC[C@H](NCCCSCC#N)c1nc(C)cs1 ZINC000184343789 262017329 /nfs/dbraw/zinc/01/73/29/262017329.db2.gz MXBQCRJOOFDNEM-NSHDSACASA-N 0 3 269.439 3.139 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(-n3cccn3)cc2)C1 ZINC000185779869 262070703 /nfs/dbraw/zinc/07/07/03/262070703.db2.gz KPYUOZYNGGAEQL-CVEARBPZSA-N 0 3 280.375 3.044 20 30 CGEDHN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000191285360 262191034 /nfs/dbraw/zinc/19/10/34/262191034.db2.gz ZIJMGORSVMUBOZ-ZIAGYGMSSA-N 0 3 286.419 3.221 20 30 CGEDHN N#CCC[C@@H](C#N)CN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000191888193 262196356 /nfs/dbraw/zinc/19/63/56/262196356.db2.gz WLTSRMRCLQIFLF-BZSNNMDCSA-N 0 3 281.403 3.431 20 30 CGEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000192633022 262206811 /nfs/dbraw/zinc/20/68/11/262206811.db2.gz PXABHNHSHLESBC-DGCLKSJQSA-N 0 3 262.328 3.006 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000192659203 262207796 /nfs/dbraw/zinc/20/77/96/262207796.db2.gz AXBOWBHKCWWDPT-AEFFLSMTSA-N 0 3 294.402 3.103 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCC2(F)F)s1 ZINC000390642844 262233711 /nfs/dbraw/zinc/23/37/11/262233711.db2.gz LJYYBJDULXDGMO-SECBINFHSA-N 0 3 256.321 3.145 20 30 CGEDHN C=CCCOCCNCc1ccccc1C(F)(F)F ZINC000120840077 262237228 /nfs/dbraw/zinc/23/72/28/262237228.db2.gz MMLFQWZIWDJBHC-UHFFFAOYSA-N 0 3 273.298 3.388 20 30 CGEDHN C=CC1CCN(Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000111259889 262259096 /nfs/dbraw/zinc/25/90/96/262259096.db2.gz YLZOSJUDQFDTSS-UHFFFAOYSA-N 0 3 284.407 3.410 20 30 CGEDHN CCC(CC)CN(CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488513611 262329821 /nfs/dbraw/zinc/32/98/21/262329821.db2.gz KQBBAOWGMQKWBK-WMLDXEAASA-N 0 3 295.471 3.187 20 30 CGEDHN C=CCOc1ccc(CNCCc2nccs2)cc1 ZINC000060230250 262391083 /nfs/dbraw/zinc/39/10/83/262391083.db2.gz YUVJOUZRNAJCFV-UHFFFAOYSA-N 0 3 274.389 3.040 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336827781 262397972 /nfs/dbraw/zinc/39/79/72/262397972.db2.gz IWQPERCKQFVZQW-ZDUSSCGKSA-N 0 3 292.345 3.096 20 30 CGEDHN COc1cccc2c1CC[C@H]2NCC(C)(C)CC#N ZINC000414161672 262819143 /nfs/dbraw/zinc/81/91/43/262819143.db2.gz FZOXKNYMVCPASX-CQSZACIVSA-N 0 3 258.365 3.212 20 30 CGEDHN COc1cccc(C2(NCCC(C)(C)C#N)CC2)c1 ZINC000272008383 263001160 /nfs/dbraw/zinc/00/11/60/263001160.db2.gz JPEZYAKFNUCWDN-UHFFFAOYSA-N 0 3 258.365 3.214 20 30 CGEDHN CC(C)(C#N)CCN(CCO)[C@@H]1CCCc2ccccc21 ZINC000272020813 263001357 /nfs/dbraw/zinc/00/13/57/263001357.db2.gz MWSNJCKIVCOVCC-QGZVFWFLSA-N 0 3 286.419 3.298 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1cccc(-n2cccn2)c1 ZINC000272025056 263001436 /nfs/dbraw/zinc/00/14/36/263001436.db2.gz NRCHIAFOGOOGCZ-AWEZNQCLSA-N 0 3 282.391 3.463 20 30 CGEDHN CC[C@@H](CC#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000273908098 263020323 /nfs/dbraw/zinc/02/03/23/263020323.db2.gz XCLUZJYVDSJGRI-KRWDZBQOSA-N 0 3 299.418 3.095 20 30 CGEDHN C=CCCCCCN1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366594613 263067996 /nfs/dbraw/zinc/06/79/96/263067996.db2.gz SQVMTSATKSNIOE-HOTGVXAUSA-N 0 3 267.413 3.003 20 30 CGEDHN C=CCSCCN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281549919 263070135 /nfs/dbraw/zinc/07/01/35/263070135.db2.gz JEXYKQDTTCKIEX-CQSZACIVSA-N 0 3 266.385 3.181 20 30 CGEDHN COC(=O)c1coc([C@@H](C)NCC2CCC(C#N)CC2)c1 ZINC000282415436 263076570 /nfs/dbraw/zinc/07/65/70/263076570.db2.gz SJDSWZREILSICU-PNESKVBLSA-N 0 3 290.363 3.047 20 30 CGEDHN Cc1cc(Cl)nc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000282759343 263078521 /nfs/dbraw/zinc/07/85/21/263078521.db2.gz OFZKMEFWOWXYQZ-RYUDHWBXSA-N 0 3 263.772 3.215 20 30 CGEDHN Cc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)cc(N2CCCC2)n1 ZINC000289731367 263111613 /nfs/dbraw/zinc/11/16/13/263111613.db2.gz KCTQVKQUCCOMSK-NVXWUHKLSA-N 0 3 298.434 3.162 20 30 CGEDHN C=CCN1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000291622140 263124223 /nfs/dbraw/zinc/12/42/23/263124223.db2.gz CUSDTKZCDQDKBW-QGZVFWFLSA-N 0 3 275.392 3.017 20 30 CGEDHN CC(C)(NCCCSCC#N)c1ccccc1[N+](=O)[O-] ZINC000292155607 263129167 /nfs/dbraw/zinc/12/91/67/263129167.db2.gz OBGSXTYOZQDCBP-UHFFFAOYSA-N 0 3 293.392 3.066 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000292491979 263132899 /nfs/dbraw/zinc/13/28/99/263132899.db2.gz TUUQEBYVVQLWCU-OAHLLOKOSA-N 0 3 290.432 3.164 20 30 CGEDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1[O-] ZINC000295008343 263170839 /nfs/dbraw/zinc/17/08/39/263170839.db2.gz JDDDDGDADWFOHB-GWCFXTLKSA-N 0 3 294.782 3.226 20 30 CGEDHN CCN(Cc1ccc(OC)cc1OC)[C@H]1CC[C@@H](C#N)C1 ZINC000298027854 263214281 /nfs/dbraw/zinc/21/42/81/263214281.db2.gz FBUUGIGERABNBP-HIFRSBDPSA-N 0 3 288.391 3.218 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H](C)CCC#N)c(C)c1OC ZINC000298567174 263222349 /nfs/dbraw/zinc/22/23/49/263222349.db2.gz QABJVRIHKOPFRF-AAEUAGOBSA-N 0 3 276.380 3.355 20 30 CGEDHN COc1ccc([C@@H](N[C@@H](C)CCC#N)C2CC2)cc1 ZINC000299103148 263230293 /nfs/dbraw/zinc/23/02/93/263230293.db2.gz VAKVYGJHXOHBES-LRDDRELGSA-N 0 3 258.365 3.428 20 30 CGEDHN COc1ccc([C@H](N[C@H](C)CCC#N)C2CC2)cc1 ZINC000299103151 263230315 /nfs/dbraw/zinc/23/03/15/263230315.db2.gz VAKVYGJHXOHBES-MLGOLLRUSA-N 0 3 258.365 3.428 20 30 CGEDHN CC[C@@H](N[C@H](C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000299183144 263233450 /nfs/dbraw/zinc/23/34/50/263233450.db2.gz ZOALQQHFWSDAQR-BXUZGUMPSA-N 0 3 261.325 3.328 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2cncc(F)c2)CC1 ZINC000341138134 263323634 /nfs/dbraw/zinc/32/36/34/263323634.db2.gz PVZCBNKBSNLRKU-AWEZNQCLSA-N 0 3 277.387 3.088 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000341807673 263354732 /nfs/dbraw/zinc/35/47/32/263354732.db2.gz DPUSFZJLLUTKML-AWEZNQCLSA-N 0 3 272.392 3.430 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccccc1OC(F)F ZINC000341870408 263360500 /nfs/dbraw/zinc/36/05/00/263360500.db2.gz BRUXSGYKVGZAPC-NEPJUHHUSA-N 0 3 285.334 3.123 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccccc1OC(F)F ZINC000341870411 263360670 /nfs/dbraw/zinc/36/06/70/263360670.db2.gz BRUXSGYKVGZAPC-VXGBXAGGSA-N 0 3 285.334 3.123 20 30 CGEDHN C=CC[C@H](CO)CN[C@H]1C[C@H](C)Sc2sccc21 ZINC000341885264 263363432 /nfs/dbraw/zinc/36/34/32/263363432.db2.gz LUERGYQZUMLCIJ-GVXVVHGQSA-N 0 3 283.462 3.448 20 30 CGEDHN C=CC[C@H](CO)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000341889583 263363799 /nfs/dbraw/zinc/36/37/99/263363799.db2.gz RWTODDRUFCCJAH-HOCLYGCPSA-N 0 3 287.403 3.207 20 30 CGEDHN COCC1(C#N)CCN(CCCc2cccc(C)c2)CC1 ZINC000341988278 263381201 /nfs/dbraw/zinc/38/12/01/263381201.db2.gz JQXAUCADYACPTL-UHFFFAOYSA-N 0 3 286.419 3.180 20 30 CGEDHN COCC1(C#N)CCN([C@H]2CCCc3ccccc32)CC1 ZINC000341988594 263381273 /nfs/dbraw/zinc/38/12/73/263381273.db2.gz JDHWRYSNYQQROO-KRWDZBQOSA-N 0 3 284.403 3.316 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H](OC)C1CC1 ZINC000425385905 264220980 /nfs/dbraw/zinc/22/09/80/264220980.db2.gz NYYCGGIIRJZNQH-AWEZNQCLSA-N 0 3 251.395 3.161 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](CO)[C@@H]2C)cc1Cl ZINC000425962745 264228184 /nfs/dbraw/zinc/22/81/84/264228184.db2.gz JBZWPDLLGASGSR-JSGCOSHPSA-N 0 3 295.810 3.108 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000128104135 264274045 /nfs/dbraw/zinc/27/40/45/264274045.db2.gz ANORJMUSISCSGF-SJLPKXTDSA-N 0 3 287.403 3.252 20 30 CGEDHN C#CCOc1ccccc1CNC[C@H](C)c1c(C)noc1C ZINC000128433299 264290604 /nfs/dbraw/zinc/29/06/04/264290604.db2.gz SPNHDNUUSRGIJQ-ZDUSSCGKSA-N 0 3 298.386 3.197 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCCC[C@H]1SCC ZINC000189522357 264304351 /nfs/dbraw/zinc/30/43/51/264304351.db2.gz FCVIGDGAHHZOSF-LSDHHAIUSA-N 0 3 298.496 3.065 20 30 CGEDHN CC1(C#N)CCN(CCCCOc2ccccc2)CC1 ZINC000356444956 266115896 /nfs/dbraw/zinc/11/58/96/266115896.db2.gz HKJOZHPYDNSMLZ-UHFFFAOYSA-N 0 3 272.392 3.471 20 30 CGEDHN C=CCOc1ccc(CN2CCN(C)C[C@H]2C(C)C)cc1 ZINC000357201396 266265283 /nfs/dbraw/zinc/26/52/83/266265283.db2.gz GSJYBZJXFOEWKP-SFHVURJKSA-N 0 3 288.435 3.023 20 30 CGEDHN C=CCN(CCCOc1ccc(OC)cc1)C1CC1 ZINC000357557041 266322920 /nfs/dbraw/zinc/32/29/20/266322920.db2.gz XQDJGIAVIQGUOD-UHFFFAOYSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(C1)CCCCC2 ZINC000357755576 266355834 /nfs/dbraw/zinc/35/58/34/266355834.db2.gz ATNUMTOKKHTCTN-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000358491024 266468625 /nfs/dbraw/zinc/46/86/25/266468625.db2.gz NNNXRTCMFXZLFQ-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN CCCCC[C@H]1CCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000362943352 267064606 /nfs/dbraw/zinc/06/46/06/267064606.db2.gz XYVMDZKLOIVHDU-CVEARBPZSA-N 0 3 293.455 3.039 20 30 CGEDHN C=CCCCCCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369879203 267273516 /nfs/dbraw/zinc/27/35/16/267273516.db2.gz XWARJLPNZJRFLA-MRXNPFEDSA-N 0 3 267.413 3.003 20 30 CGEDHN CC1(c2ccccc2)CC(NCC2(C#N)CCC2)C1 ZINC000418140897 267362590 /nfs/dbraw/zinc/36/25/90/267362590.db2.gz KGWJOJJKEMBZGV-UHFFFAOYSA-N 0 3 254.377 3.390 20 30 CGEDHN COc1ccc(CC[C@@H](C)NCC2(C#N)CCC2)cc1 ZINC000418141753 267364063 /nfs/dbraw/zinc/36/40/63/267364063.db2.gz LRQLUDTWHAKFDQ-CQSZACIVSA-N 0 3 272.392 3.300 20 30 CGEDHN C[C@@H](CNCC1(C#N)CCC1)c1cc(F)cc(F)c1 ZINC000418144349 267364878 /nfs/dbraw/zinc/36/48/78/267364878.db2.gz SXKKBZIYRRAJOX-NSHDSACASA-N 0 3 264.319 3.352 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000418136037 267368141 /nfs/dbraw/zinc/36/81/41/267368141.db2.gz BUYFDXVBSGYECN-QWRGUYRKSA-N 0 3 260.303 3.391 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1ccc(CO)cc1 ZINC000305806089 268001024 /nfs/dbraw/zinc/00/10/24/268001024.db2.gz GHXOFXWOYQMOHQ-UHFFFAOYSA-N 0 3 267.372 3.367 20 30 CGEDHN N#Cc1ccc(CNCC2CCc3ccccc3CC2)o1 ZINC000527738266 268231908 /nfs/dbraw/zinc/23/19/08/268231908.db2.gz YBOAABUNOZHILM-UHFFFAOYSA-N 0 3 280.371 3.436 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](c3nccs3)C2)c1 ZINC000195346777 268248076 /nfs/dbraw/zinc/24/80/76/268248076.db2.gz UQLPIFFLXXGFGZ-HNNXBMFYSA-N 0 3 283.400 3.394 20 30 CGEDHN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000532344324 270215628 /nfs/dbraw/zinc/21/56/28/270215628.db2.gz ZTSVULAPVFBZCQ-CQSZACIVSA-N 0 3 298.361 3.080 20 30 CGEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)N1C ZINC000135267244 274362960 /nfs/dbraw/zinc/36/29/60/274362960.db2.gz GQGMHUGKWDYZFT-PHIMTYICSA-N 0 3 297.324 3.106 20 30 CGEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C)CN1C ZINC000443514364 274363028 /nfs/dbraw/zinc/36/30/28/274363028.db2.gz FSQWGRLMBKURPL-GHMZBOCLSA-N 0 3 297.324 3.106 20 30 CGEDHN C[C@H]1CC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000453637884 274569456 /nfs/dbraw/zinc/56/94/56/274569456.db2.gz YZPWSKRATGFVJO-GXFFZTMASA-N 0 3 298.308 3.234 20 30 CGEDHN CO[C@H](C)[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000271432252 277712193 /nfs/dbraw/zinc/71/21/93/277712193.db2.gz CANMYEQCODNSQM-VXGBXAGGSA-N 0 3 285.309 3.070 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(C#N)cc1 ZINC000280210437 278384170 /nfs/dbraw/zinc/38/41/70/278384170.db2.gz UCPFDPAUNWVDOG-WBMJQRKESA-N 0 3 280.375 3.020 20 30 CGEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1c(C)noc1C ZINC000185872063 280957011 /nfs/dbraw/zinc/95/70/11/280957011.db2.gz YLGHMOPHDOVXDQ-MJBXVCDLSA-N 0 3 261.369 3.415 20 30 CGEDHN CC[C@H]1CC[C@@H](C)N1Cc1cc(C#N)ccc1OC ZINC000124606258 281106828 /nfs/dbraw/zinc/10/68/28/281106828.db2.gz BLJFYIMPKRNVGC-DOMZBBRYSA-N 0 3 258.365 3.330 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)CC2(CCCC2)O1 ZINC000336440908 281263205 /nfs/dbraw/zinc/26/32/05/281263205.db2.gz BZDLMYFEVGXSLA-UONOGXRCSA-N 0 3 262.397 3.102 20 30 CGEDHN N#Cc1cccc(CCNCc2cccc(F)c2F)c1 ZINC000562580730 289716700 /nfs/dbraw/zinc/71/67/00/289716700.db2.gz UUZNPKPZRQCXEH-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000185812638 327846009 /nfs/dbraw/zinc/84/60/09/327846009.db2.gz UTJLCYUSPLJGFL-SGIREYDYSA-N 0 3 258.340 3.485 20 30 CGEDHN C[C@@](O)(CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1Cl ZINC000185901082 327850341 /nfs/dbraw/zinc/85/03/41/327850341.db2.gz WKXVGRYCCHLUTQ-HEHGZKQESA-N 0 3 292.810 3.219 20 30 CGEDHN CC(C)(C#N)CCCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377775877 329029005 /nfs/dbraw/zinc/02/90/05/329029005.db2.gz IDUYWQNMBGFPPY-GJZGRUSLSA-N 0 3 276.424 3.350 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000289976161 328150118 /nfs/dbraw/zinc/15/01/18/328150118.db2.gz XRRILPJJSHXYEM-PSASIEDQSA-N 0 3 260.164 3.191 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000274389229 328210985 /nfs/dbraw/zinc/21/09/85/328210985.db2.gz ASIWJCMGOBSHKK-UMNHJUIQSA-N 0 3 250.292 3.308 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000274637592 328212290 /nfs/dbraw/zinc/21/22/90/328212290.db2.gz QIBYJPDMJDLQPA-SGMGOOAPSA-N 0 3 274.364 3.047 20 30 CGEDHN COc1cc(C)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000274678789 328212976 /nfs/dbraw/zinc/21/29/76/328212976.db2.gz ZSMGSSVWKRKTAU-MELADBBJSA-N 0 3 288.391 3.355 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCOC[C@H]2C)c([O-])c1 ZINC000277343393 328221273 /nfs/dbraw/zinc/22/12/73/328221273.db2.gz LPRMEDSXGZPGNR-XVKBUMFYSA-N 0 3 290.407 3.082 20 30 CGEDHN C=CCC[C@@H](NCCN1CCCCC1)c1ccco1 ZINC000353442751 328232987 /nfs/dbraw/zinc/23/29/87/328232987.db2.gz QQLUACGOZPUWGT-OAHLLOKOSA-N 0 3 262.397 3.362 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCC1 ZINC000565047192 322057000 /nfs/dbraw/zinc/05/70/00/322057000.db2.gz OHISDKIALAVZOK-UHFFFAOYSA-N 0 3 273.336 3.229 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000565049414 322057101 /nfs/dbraw/zinc/05/71/01/322057101.db2.gz PMYYRINEOKRJMJ-ZIAGYGMSSA-N 0 3 287.363 3.381 20 30 CGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000566040895 322101773 /nfs/dbraw/zinc/10/17/73/322101773.db2.gz GAYHZOHZOSROEN-UHFFFAOYSA-N 0 3 298.308 3.188 20 30 CGEDHN CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ncccc1[O-] ZINC000570365803 322271685 /nfs/dbraw/zinc/27/16/85/322271685.db2.gz QXONXPUMVVBRJW-UHFFFAOYSA-N 0 3 281.359 3.069 20 30 CGEDHN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1[O-] ZINC000570365803 322271686 /nfs/dbraw/zinc/27/16/86/322271686.db2.gz QXONXPUMVVBRJW-UHFFFAOYSA-N 0 3 281.359 3.069 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCC(CCO)CC1 ZINC000532013638 328391835 /nfs/dbraw/zinc/39/18/35/328391835.db2.gz DPBUXUFDFIBRJS-UHFFFAOYSA-N 0 3 286.419 3.082 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(SC(F)F)cc1 ZINC000290009805 328494549 /nfs/dbraw/zinc/49/45/49/328494549.db2.gz ZRCOSDFFHGOSGL-KOLCDFICSA-N 0 3 273.348 3.199 20 30 CGEDHN C=C1CCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000518678103 327193418 /nfs/dbraw/zinc/19/34/18/327193418.db2.gz KJHRWKXFGLGINZ-QGZVFWFLSA-N 0 3 297.398 3.232 20 30 CGEDHN C=CCN(CC=C)[C@H](CNCc1occc1C)C(C)C ZINC000531006019 327213217 /nfs/dbraw/zinc/21/32/17/327213217.db2.gz MLWDZRXRKRMVDY-MRXNPFEDSA-N 0 3 276.424 3.376 20 30 CGEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000125870842 327396250 /nfs/dbraw/zinc/39/62/50/327396250.db2.gz SWBKGBPFKBMPIA-JKSUJKDBSA-N 0 3 299.418 3.054 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CC)CC1 ZINC000171740740 329079835 /nfs/dbraw/zinc/07/98/35/329079835.db2.gz XDFBAJDUEYMVJJ-UHFFFAOYSA-N 0 3 287.407 3.021 20 30 CGEDHN C=CCCCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000394030513 329095269 /nfs/dbraw/zinc/09/52/69/329095269.db2.gz ICPJPALNQDJINN-GFCCVEGCSA-N 0 3 261.365 3.074 20 30 CGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCOC1 ZINC000177372869 329186051 /nfs/dbraw/zinc/18/60/51/329186051.db2.gz SMQGQBZTLRCGKN-CQSZACIVSA-N 0 3 297.320 3.025 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)n1C ZINC000177767613 329186725 /nfs/dbraw/zinc/18/67/25/329186725.db2.gz KFGVRQHUFRQYKO-LLVKDONJSA-N 0 3 287.388 3.404 20 30 CGEDHN C=CCOc1ccccc1CNCCSCC=C ZINC000222063142 329219824 /nfs/dbraw/zinc/21/98/24/329219824.db2.gz JNOQTDZGWWFGGR-UHFFFAOYSA-N 0 3 263.406 3.260 20 30 CGEDHN N#CCSCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185326114 329272866 /nfs/dbraw/zinc/27/28/66/329272866.db2.gz RJJWETPTWUGBSK-LBPRGKRZSA-N 0 3 296.386 3.401 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](c3ccncc3)C2)ccc1F ZINC000584389038 329324322 /nfs/dbraw/zinc/32/43/22/329324322.db2.gz FGQPYYFWYWGPFS-OAHLLOKOSA-N 0 3 281.334 3.082 20 30 CGEDHN Cc1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185896022 329334556 /nfs/dbraw/zinc/33/45/56/329334556.db2.gz QSKBBWAESNGCPF-NVXWUHKLSA-N 0 3 294.402 3.353 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccccc1Br ZINC000321520531 329372074 /nfs/dbraw/zinc/37/20/74/329372074.db2.gz XEJRTZZJFXHNQA-VXGBXAGGSA-N 0 3 298.224 3.427 20 30 CGEDHN C=C(C)CNCc1cccc(OCc2ccccn2)c1 ZINC000189053339 329375233 /nfs/dbraw/zinc/37/52/33/329375233.db2.gz KUTOCXYFWBEOIP-UHFFFAOYSA-N 0 3 268.360 3.326 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC[C@H](N)c1ccccc1 ZINC000418449507 329532642 /nfs/dbraw/zinc/53/26/42/329532642.db2.gz KSMHBZANLKURAE-INIZCTEOSA-N 0 3 289.423 3.074 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000248828144 329900119 /nfs/dbraw/zinc/90/01/19/329900119.db2.gz DJBCYAZIJIAXJI-GZBFAFLISA-N 0 3 260.381 3.469 20 30 CGEDHN COC1CCC(N(C)CC#Cc2ccc(F)cc2)CC1 ZINC000269572024 330069957 /nfs/dbraw/zinc/06/99/57/330069957.db2.gz YETFARBDXULUJF-UHFFFAOYSA-N 0 3 275.367 3.067 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(OC)cc1F)C(C)C ZINC000421838603 330092463 /nfs/dbraw/zinc/09/24/63/330092463.db2.gz VGVPAWSYLLBZQY-DYVFJYSZSA-N 0 3 295.398 3.306 20 30 CGEDHN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424171947 330311812 /nfs/dbraw/zinc/31/18/12/330311812.db2.gz MMVXWEMFEREECO-ILXRZTDVSA-N 0 3 293.455 3.119 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC000106034625 330331279 /nfs/dbraw/zinc/33/12/79/330331279.db2.gz BALDFFFIXWZGRV-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000424291762 330334981 /nfs/dbraw/zinc/33/49/81/330334981.db2.gz FKLJMQJDTYYNFX-DRZSPHRISA-N 0 3 297.320 3.272 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000424300454 330337118 /nfs/dbraw/zinc/33/71/18/330337118.db2.gz XQUCCVOOTMOEBH-ZWKOTPCHSA-N 0 3 296.418 3.280 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000424319568 330340023 /nfs/dbraw/zinc/34/00/23/330340023.db2.gz FCUNXSSJJDFOQM-SGIREYDYSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCC[C@@H](CC)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000424330143 330342135 /nfs/dbraw/zinc/34/21/35/330342135.db2.gz QJFPEMVHICWORF-GHMZBOCLSA-N 0 3 282.409 3.325 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000045945843 330349997 /nfs/dbraw/zinc/34/99/97/330349997.db2.gz IQYQZKIWFBBOJN-UHFFFAOYSA-N 0 3 269.319 3.128 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC=CCC1)C(C)C ZINC000046049417 330351052 /nfs/dbraw/zinc/35/10/52/330351052.db2.gz MWRGDQRXDOKMBN-IRXDYDNUSA-N 0 3 290.451 3.158 20 30 CGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000424558190 330375618 /nfs/dbraw/zinc/37/56/18/330375618.db2.gz FCBUZVJEJZYKMH-UHFFFAOYSA-N 0 3 260.381 3.289 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000120137105 330385370 /nfs/dbraw/zinc/38/53/70/330385370.db2.gz PGDCEWONMOLSMY-WMZOPIPTSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCOc1cccc(CNCC2(CC#N)CC2)c1 ZINC000430033498 330557715 /nfs/dbraw/zinc/55/77/15/330557715.db2.gz GQRCTSYEZGAISN-UHFFFAOYSA-N 0 3 256.349 3.035 20 30 CGEDHN CCc1ccccc1NC(=O)C[C@@H](C)NCC1(CC#N)CC1 ZINC000430758169 330573444 /nfs/dbraw/zinc/57/34/44/330573444.db2.gz ZPTKRRXOLRYFHF-CQSZACIVSA-N 0 3 299.418 3.250 20 30 CGEDHN C=CCN(CC=C)CCOc1ccc(SC)cc1 ZINC000441188032 330762607 /nfs/dbraw/zinc/76/26/07/330762607.db2.gz IWRBLRZFLDXKCJ-UHFFFAOYSA-N 0 3 263.406 3.461 20 30 CGEDHN N#CC1CCC(CNCc2csc(C3CC3)n2)CC1 ZINC000441384295 330767350 /nfs/dbraw/zinc/76/73/50/330767350.db2.gz XLDDLXJDEDUXBU-UHFFFAOYSA-N 0 3 275.421 3.440 20 30 CGEDHN CCOCc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442712490 330780269 /nfs/dbraw/zinc/78/02/69/330780269.db2.gz GPQZFBRHQPRVNM-HOTGVXAUSA-N 0 3 258.365 3.005 20 30 CGEDHN CSCc1cc(F)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442778324 330782462 /nfs/dbraw/zinc/78/24/62/330782462.db2.gz BJMDLZKREJEILC-XHDPSFHLSA-N 0 3 278.396 3.471 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCOc2cccc(Cl)c2)C1 ZINC000442789591 330783727 /nfs/dbraw/zinc/78/37/27/330783727.db2.gz YIEGGLPEHAGQPF-AAEUAGOBSA-N 0 3 264.756 3.001 20 30 CGEDHN N#CCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442823484 330785659 /nfs/dbraw/zinc/78/56/59/330785659.db2.gz DFFYXYVCIFQOER-KBMXLJTQSA-N 0 3 253.349 3.313 20 30 CGEDHN COc1ccc(C2(N[C@@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000447585385 330871669 /nfs/dbraw/zinc/87/16/69/330871669.db2.gz JXHDKWZTHTZQBV-DZGCQCFKSA-N 0 3 270.376 3.356 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Br)cc1 ZINC000449517674 330932926 /nfs/dbraw/zinc/93/29/26/330932926.db2.gz GRCPECDCOYPLDH-HONMWMINSA-N 0 3 296.208 3.443 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(Cl)c1Cl ZINC000449519095 330933331 /nfs/dbraw/zinc/93/33/31/330933331.db2.gz LEYWHMWVAAMVEN-NEPJUHHUSA-N 0 3 272.175 3.427 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2cc(F)ccc2o1 ZINC000449547832 330935439 /nfs/dbraw/zinc/93/54/39/330935439.db2.gz JZCVLRGNWVGAJK-CABCVRRESA-N 0 3 275.323 3.395 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(CC(C)C)s1 ZINC000449547521 330935476 /nfs/dbraw/zinc/93/54/76/330935476.db2.gz ILUPBGUVMXTWHN-KGLIPLIRSA-N 0 3 280.437 3.165 20 30 CGEDHN N#CC1(F)CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000450969688 331009223 /nfs/dbraw/zinc/00/92/23/331009223.db2.gz CEYGTGLCCBLZIR-LLVKDONJSA-N 0 3 260.303 3.140 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2c1cccc2Cl ZINC000451606164 331036360 /nfs/dbraw/zinc/03/63/60/331036360.db2.gz HGUHINLAGQRYEU-ZNMIVQPWSA-N 0 3 263.768 3.260 20 30 CGEDHN C=C(C)CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452060207 331052484 /nfs/dbraw/zinc/05/24/84/331052484.db2.gz LXZZLWOCSKMSGU-ZDUSSCGKSA-N 0 3 251.395 3.118 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(F)ccc1F ZINC000453331594 331117846 /nfs/dbraw/zinc/11/78/46/331117846.db2.gz BWHMUCFLFLLRTK-KMUNFCNLSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2c1ccc(OC)c2F ZINC000453331602 331117924 /nfs/dbraw/zinc/11/79/24/331117924.db2.gz BXPBHZLBHJMDSC-KFWWJZLASA-N 0 3 291.366 3.145 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2ccccc2o1 ZINC000453350080 331120517 /nfs/dbraw/zinc/12/05/17/331120517.db2.gz IVCDZILEGSLEPL-BNOWGMLFSA-N 0 3 257.333 3.427 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H]1CCSc2ccc(F)cc21 ZINC000453354323 331121116 /nfs/dbraw/zinc/12/11/16/331121116.db2.gz LLTKQPHOZZFKTG-JSGCOSHPSA-N 0 3 281.396 3.279 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453372882 331124214 /nfs/dbraw/zinc/12/42/14/331124214.db2.gz VIEFMQNSKBEDTE-ZBFHGGJFSA-N 0 3 299.418 3.065 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC(C)(C)C)CC1 ZINC000454470480 331146869 /nfs/dbraw/zinc/14/68/69/331146869.db2.gz WPGRIVWKJVMVNG-AWEZNQCLSA-N 0 3 295.471 3.151 20 30 CGEDHN CN(C(=O)C(C#N)CCc1ccccc1)C1CC(C)(C)C1 ZINC000458178350 331244281 /nfs/dbraw/zinc/24/42/81/331244281.db2.gz FFQLORKVCHLFOH-HNNXBMFYSA-N 0 3 284.403 3.406 20 30 CGEDHN C[C@@]1(NC(=O)C(C#N)CCc2ccccc2)CC=CCC1 ZINC000458336394 331249261 /nfs/dbraw/zinc/24/92/61/331249261.db2.gz LSUNLKYGMBFCHS-SJLPKXTDSA-N 0 3 282.387 3.374 20 30 CGEDHN CC#CCCN1CC=C(c2cccc(OC)c2)CC1 ZINC000462324901 331319707 /nfs/dbraw/zinc/31/97/07/331319707.db2.gz LRQOHTMBAQYMTE-UHFFFAOYSA-N 0 3 255.361 3.198 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@H]1C(C)C)C(C)C ZINC000475299942 331623224 /nfs/dbraw/zinc/62/32/24/331623224.db2.gz WVZOWOCGZBRMKK-YESZJQIVSA-N 0 3 292.467 3.093 20 30 CGEDHN C[C@H]1C[C@@H]1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000488568632 332017958 /nfs/dbraw/zinc/01/79/58/332017958.db2.gz BIJPJLAUWYVKOE-WCQYABFASA-N 0 3 267.294 3.303 20 30 CGEDHN CC(C)(CCC#N)CNC(=O)C(C#N)CCc1ccccc1 ZINC000489878387 332071430 /nfs/dbraw/zinc/07/14/30/332071430.db2.gz IRMPWMISSPMCHG-MRXNPFEDSA-N 0 3 297.402 3.205 20 30 CGEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000491554753 332237083 /nfs/dbraw/zinc/23/70/83/332237083.db2.gz LUYIYFPSBLIKKT-HIFRSBDPSA-N 0 3 272.392 3.022 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)/C=C/C(=C/C)CC)CC1 ZINC000492168501 332385495 /nfs/dbraw/zinc/38/54/95/332385495.db2.gz JYQFCSIEQFISRP-LJSIUACRSA-N 0 3 276.424 3.056 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C)cc1OC ZINC000575757423 335112752 /nfs/dbraw/zinc/11/27/52/335112752.db2.gz ARWLMJLNCHZGKZ-BMFZPTHFSA-N 0 3 275.392 3.388 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000248709100 334314404 /nfs/dbraw/zinc/31/44/04/334314404.db2.gz BPJWKCQLUIZWAS-YXJHDRRASA-N 0 3 288.435 3.396 20 30 CGEDHN CCC[C@]1(NCC#Cc2cccc(Cl)c2)CCOC1 ZINC000512292084 332961872 /nfs/dbraw/zinc/96/18/72/332961872.db2.gz NWGOJADGIIQQNO-INIZCTEOSA-N 0 3 277.795 3.240 20 30 CGEDHN C=CCCCN[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000513128617 333005621 /nfs/dbraw/zinc/00/56/21/333005621.db2.gz RODYQGSLCJOOSW-INIZCTEOSA-N 0 3 279.355 3.160 20 30 CGEDHN Cc1nsc(C)c1CN1CCC(CCC#N)CC1 ZINC000575813259 335118340 /nfs/dbraw/zinc/11/83/40/335118340.db2.gz VKVZDOREIGIGEF-UHFFFAOYSA-N 0 3 263.410 3.276 20 30 CGEDHN C=CCC[C@@H](CC)NCc1nc2cc(OC)ccc2n1C ZINC000186545122 333162472 /nfs/dbraw/zinc/16/24/72/333162472.db2.gz ADXOFLRRGGQHDU-CYBMUJFWSA-N 0 3 287.407 3.416 20 30 CGEDHN CCC[C@@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000189341645 333190709 /nfs/dbraw/zinc/19/07/09/333190709.db2.gz RCKQIRBBYJVTLU-NVXWUHKLSA-N 0 3 271.408 3.057 20 30 CGEDHN C=CCCCCCN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000193459447 333250502 /nfs/dbraw/zinc/25/05/02/333250502.db2.gz STCNOCRMIVQPKG-AWEZNQCLSA-N 0 3 274.399 3.394 20 30 CGEDHN C=CCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000525329000 333409094 /nfs/dbraw/zinc/40/90/94/333409094.db2.gz WROXQDMZWFNWIT-UHFFFAOYSA-N 0 3 264.800 3.347 20 30 CGEDHN Cc1ccc(O[C@@H](C)CNCc2cccc(C#N)c2)cc1 ZINC000174593926 335159961 /nfs/dbraw/zinc/15/99/61/335159961.db2.gz XJWHWVQUCLRCSN-HNNXBMFYSA-N 0 3 280.371 3.424 20 30 CGEDHN Cc1ccc(-c2n[nH]cc2CN2CCC(CC#N)CC2)o1 ZINC000543778597 333898069 /nfs/dbraw/zinc/89/80/69/333898069.db2.gz NGPALJSLBHYPNT-UHFFFAOYSA-N 0 3 284.363 3.104 20 30 CGEDHN C=C(C)CN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134004921 334077067 /nfs/dbraw/zinc/07/70/67/334077067.db2.gz BQVJAPHVAVIKLD-UONOGXRCSA-N 0 3 282.428 3.188 20 30 CGEDHN C=CCOCCNC(C)(C)c1cccc(Cl)c1 ZINC000549535944 334196734 /nfs/dbraw/zinc/19/67/34/334196734.db2.gz MOPJYLBTXVOXHB-UHFFFAOYSA-N 0 3 253.773 3.367 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000249116878 334328215 /nfs/dbraw/zinc/32/82/15/334328215.db2.gz WLTSRMRCLQIFLF-KURKYZTESA-N 0 3 281.403 3.431 20 30 CGEDHN C=CCCCCN1CCN(CCCCC=C)CC1 ZINC000567120503 334682655 /nfs/dbraw/zinc/68/26/55/334682655.db2.gz QDRKKOHJVNCJSR-UHFFFAOYSA-N 0 3 250.430 3.317 20 30 CGEDHN C=CCCCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000312346017 334746304 /nfs/dbraw/zinc/74/63/04/334746304.db2.gz WVZSXJPVLDPBQJ-ZDUSSCGKSA-N 0 3 275.392 3.465 20 30 CGEDHN CC[C@@H](CC#N)NCCCOc1cc(C)ccc1C ZINC000576356287 335193671 /nfs/dbraw/zinc/19/36/71/335193671.db2.gz AIKITBIXCXROIR-HNNXBMFYSA-N 0 3 260.381 3.354 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000192511498 335270624 /nfs/dbraw/zinc/27/06/24/335270624.db2.gz VSTUHEZWUZQBTJ-GOSISDBHSA-N 0 3 286.419 3.152 20 30 CGEDHN C=CCNC/C(C)=C\c1ccccc1OC(F)F ZINC000578053979 335472832 /nfs/dbraw/zinc/47/28/32/335472832.db2.gz DCWAFCLVBLMBRE-LUAWRHEFSA-N 0 3 253.292 3.467 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](CO)C/C=C\C)cc1Cl ZINC000349847436 335485241 /nfs/dbraw/zinc/48/52/41/335485241.db2.gz GFBWOPWZQFUBNU-PKXJPQMGSA-N 0 3 295.810 3.322 20 30 CGEDHN C=CCNC(=O)CN[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000179720005 335511307 /nfs/dbraw/zinc/51/13/07/335511307.db2.gz KTIFTUKMKBLVLI-OAHLLOKOSA-N 0 3 294.826 3.319 20 30 CGEDHN OCC[C@H](NCC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000183725971 335903963 /nfs/dbraw/zinc/90/39/63/335903963.db2.gz LXQBAGVPLGDTDV-SFHVURJKSA-N 0 3 289.394 3.098 20 30 CGEDHN COc1ccc(C[C@@H](C)CN2CCC(C#N)CC2)cc1F ZINC000185243146 335949242 /nfs/dbraw/zinc/94/92/42/335949242.db2.gz HTOJPTNXZWVFHD-CYBMUJFWSA-N 0 3 290.382 3.248 20 30 CGEDHN CS[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358555554 534061086 /nfs/dbraw/zinc/06/10/86/534061086.db2.gz AKYXABRPYMMNCW-ZJUUUORDSA-N 0 3 252.358 3.099 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc(C#N)nc2)C1 ZINC000359506015 534110910 /nfs/dbraw/zinc/11/09/10/534110910.db2.gz IEPQMEBBDQFUKS-KSSFIOAISA-N 0 3 292.386 3.201 20 30 CGEDHN C[C@@]1(NCc2ccc(C#N)cc2Cl)CCO[C@H]1C1CC1 ZINC000439438652 534274665 /nfs/dbraw/zinc/27/46/65/534274665.db2.gz MKVRFQHKYRBNNU-JKSUJKDBSA-N 0 3 290.794 3.259 20 30 CGEDHN CC(C#N)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000351913153 534284438 /nfs/dbraw/zinc/28/44/38/534284438.db2.gz UIYSZUUFPVTEAE-LDYMZIIASA-N 0 3 288.244 3.095 20 30 CGEDHN CC(C)c1nc(CCNCc2cccc(C#N)c2)cs1 ZINC000102430988 519861508 /nfs/dbraw/zinc/86/15/08/519861508.db2.gz ICIWAIVKVYPXEB-UHFFFAOYSA-N 0 3 285.416 3.470 20 30 CGEDHN CCOc1ccc(O)c(CN(C)Cc2cccc(C#N)c2)c1 ZINC000130781665 521142182 /nfs/dbraw/zinc/14/21/82/521142182.db2.gz RMGFHFJOALZZID-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000335286047 534755947 /nfs/dbraw/zinc/75/59/47/534755947.db2.gz NAFNPNYMLHIUQT-IINYFYTJSA-N 0 3 276.767 3.057 20 30 CGEDHN C[C@@H](N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000157744052 525686548 /nfs/dbraw/zinc/68/65/48/525686548.db2.gz FTVZJJKJCPQJLW-WHCBVINPSA-N 0 3 288.366 3.306 20 30 CGEDHN N#Cc1cc(NCCN2CCCCC2)ccc1C(F)(F)F ZINC000163973388 526571189 /nfs/dbraw/zinc/57/11/89/526571189.db2.gz GXYMGRIOVKVXQZ-UHFFFAOYSA-N 0 3 297.324 3.475 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1cccc(F)c1 ZINC000166684709 526656395 /nfs/dbraw/zinc/65/63/95/526656395.db2.gz MOTIORSFNLABCD-HNNXBMFYSA-N 0 3 251.345 3.459 20 30 CGEDHN CC(C)(CCC#N)CNCc1csc(C2CC2)n1 ZINC000344382309 526999571 /nfs/dbraw/zinc/99/95/71/526999571.db2.gz KWZDTNKAZQGOCO-UHFFFAOYSA-N 0 3 263.410 3.440 20 30 CGEDHN C=CCCC1(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000353590822 527088907 /nfs/dbraw/zinc/08/89/07/527088907.db2.gz DNXQDQRGRBDGLH-INIZCTEOSA-N 0 3 286.419 3.152 20 30 CGEDHN C=CCCC[C@H](C)N1CCOc2cc(O)ccc2C1 ZINC000353151604 527274990 /nfs/dbraw/zinc/27/49/90/527274990.db2.gz FVKXRNQRKAMIQG-ZDUSSCGKSA-N 0 3 261.365 3.331 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1nccc(C)c1C#N)C(C)C ZINC000343521710 527650967 /nfs/dbraw/zinc/65/09/67/527650967.db2.gz FGOLBKFZVKWCFI-QGZVFWFLSA-N 0 3 298.434 3.372 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@H](C)c1ccccc1OC ZINC000347045522 527772312 /nfs/dbraw/zinc/77/23/12/527772312.db2.gz ZOVYZJRPCIITEL-QWHCGFSZSA-N 0 3 274.364 3.154 20 30 CGEDHN CC(C)[C@H]1C[C@H](NC(=O)C(C)C#N)c2ccccc21 ZINC000344984438 527882717 /nfs/dbraw/zinc/88/27/17/527882717.db2.gz QVSPSOCIRDGZHO-DFBGVHRSSA-N 0 3 256.349 3.147 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000450661650 536514792 /nfs/dbraw/zinc/51/47/92/536514792.db2.gz FYKQUBUZVGMPJF-DNVCBOLYSA-N 0 3 294.398 3.467 20 30 CGEDHN CCCN(CCC)Cc1cn2ccccc2c1C#N ZINC000356474451 528059979 /nfs/dbraw/zinc/05/99/79/528059979.db2.gz PIPLKXDQQROKSU-UHFFFAOYSA-N 0 3 255.365 3.433 20 30 CGEDHN CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(C)C#N ZINC000347394313 528758344 /nfs/dbraw/zinc/75/83/44/528758344.db2.gz XYKOKOCCMFWYLS-HIFRSBDPSA-N 0 3 288.391 3.448 20 30 CGEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1c(C)nn(C)c1C ZINC000347990421 529183218 /nfs/dbraw/zinc/18/32/18/529183218.db2.gz CHMLJPWLPMHDAC-QGZVFWFLSA-N 0 3 296.418 3.344 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)CCc1n[nH]c2ccccc21 ZINC000344681195 529301543 /nfs/dbraw/zinc/30/15/43/529301543.db2.gz AEXMBGWUPAWEDJ-QWHCGFSZSA-N 0 3 270.380 3.166 20 30 CGEDHN CCC[C@H](C)[C@@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000514608081 535655070 /nfs/dbraw/zinc/65/50/70/535655070.db2.gz IIVTVWNNXWASMX-MQIPJXDCSA-N 0 3 278.371 3.145 20 30 CGEDHN CCN(CC)c1ccc(C=NOCCSC)cc1 ZINC000727438445 571745115 /nfs/dbraw/zinc/74/51/15/571745115.db2.gz WYFBIRJCJYPVHR-UHFFFAOYSA-N 0 3 266.410 3.246 20 30 CGEDHN CCCN(Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000728902750 571846715 /nfs/dbraw/zinc/84/67/15/571846715.db2.gz OKSOUIORSZSHCV-UHFFFAOYSA-N 0 3 280.375 3.254 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1csc2ccccc21 ZINC000730021878 571941913 /nfs/dbraw/zinc/94/19/13/571941913.db2.gz KTYNJLKUYGJLER-NEPJUHHUSA-N 0 3 288.416 3.243 20 30 CGEDHN C[C@@H]1C[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420834 572352512 /nfs/dbraw/zinc/35/25/12/572352512.db2.gz HJPOXRWGCCOIHF-JEZHCXPESA-N 0 3 274.320 3.268 20 30 CGEDHN CCCCCCC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000725841815 572435570 /nfs/dbraw/zinc/43/55/70/572435570.db2.gz NVMGZRJNUSTKGU-UHFFFAOYSA-N 0 3 296.367 3.369 20 30 CGEDHN CCCCCCCCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000741625769 572514438 /nfs/dbraw/zinc/51/44/38/572514438.db2.gz SAPLPISZWTWACF-HNNXBMFYSA-N 0 3 268.445 3.290 20 30 CGEDHN C#CCOc1ccccc1CNc1ccnc2ccccc21 ZINC000734145462 572630738 /nfs/dbraw/zinc/63/07/38/572630738.db2.gz SLEDXBLMBYSAHY-UHFFFAOYSA-N 0 3 288.350 3.281 20 30 CGEDHN C=CC[C@@H](NCc1cccc(C#N)c1)c1ccncc1 ZINC000734510183 572661738 /nfs/dbraw/zinc/66/17/38/572661738.db2.gz SOOSDIZOLIRQIA-QGZVFWFLSA-N 0 3 263.344 3.360 20 30 CGEDHN CCN(CC(C)C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744140312 572712682 /nfs/dbraw/zinc/71/26/82/572712682.db2.gz UVRRMEQVAONQJD-UHFFFAOYSA-N 0 3 282.391 3.357 20 30 CGEDHN C=CCCC[N@@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413383 572717825 /nfs/dbraw/zinc/71/78/25/572717825.db2.gz SXTUMVIOUITPIV-ZDUSSCGKSA-N 0 3 285.395 3.216 20 30 CGEDHN C=CCCC[N@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413383 572717830 /nfs/dbraw/zinc/71/78/30/572717830.db2.gz SXTUMVIOUITPIV-ZDUSSCGKSA-N 0 3 285.395 3.216 20 30 CGEDHN C=CCCC[N@@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413383 572717833 /nfs/dbraw/zinc/71/78/33/572717833.db2.gz SXTUMVIOUITPIV-ZDUSSCGKSA-N 0 3 285.395 3.216 20 30 CGEDHN C=CCCC[N@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413383 572717838 /nfs/dbraw/zinc/71/78/38/572717838.db2.gz SXTUMVIOUITPIV-ZDUSSCGKSA-N 0 3 285.395 3.216 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOCC(C)C)nc21 ZINC000735791041 572741532 /nfs/dbraw/zinc/74/15/32/572741532.db2.gz TXPXCYIFKUPROK-ZDUSSCGKSA-N 0 3 299.374 3.110 20 30 CGEDHN C#CCN(CCc1cccs1)Cc1ccccc1 ZINC000746167333 572858864 /nfs/dbraw/zinc/85/88/64/572858864.db2.gz FNNRJBQQKUMOLQ-UHFFFAOYSA-N 0 3 255.386 3.426 20 30 CGEDHN CCN(C/C=C(\C)C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000746503487 572875115 /nfs/dbraw/zinc/87/51/15/572875115.db2.gz SHMYMHBGIJNIST-JWAFFJSPSA-N 0 3 286.375 3.060 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819729825 607011913 /nfs/dbraw/zinc/01/19/13/607011913.db2.gz NGIXYXJRSBHZKC-XQQFMLRXSA-N 0 3 285.395 3.118 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819729825 607011914 /nfs/dbraw/zinc/01/19/14/607011914.db2.gz NGIXYXJRSBHZKC-XQQFMLRXSA-N 0 3 285.395 3.118 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C)cs2)CC1 ZINC000981108127 613254715 /nfs/dbraw/zinc/25/47/15/613254715.db2.gz HEEAHMBQOSDDBH-UHFFFAOYSA-N 0 3 292.448 3.171 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2ccoc2Cl)CC1 ZINC000981042720 613255361 /nfs/dbraw/zinc/25/53/61/613255361.db2.gz TXATXSCNTOMQOY-UHFFFAOYSA-N 0 3 296.798 3.047 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000969735522 613299052 /nfs/dbraw/zinc/29/90/52/613299052.db2.gz VENFLLNBSIBYAZ-CVEARBPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972774017 613342212 /nfs/dbraw/zinc/34/22/12/613342212.db2.gz LLESWOAVGMOIMP-INIZCTEOSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000972788409 613620728 /nfs/dbraw/zinc/62/07/28/613620728.db2.gz FOMWHTNYXBAIOS-QGZVFWFLSA-N 0 3 286.419 3.142 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000980325441 613640893 /nfs/dbraw/zinc/64/08/93/613640893.db2.gz NUMVNGZUEGQNJX-AWEZNQCLSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C[C@H]1C ZINC000947997982 613752786 /nfs/dbraw/zinc/75/27/86/613752786.db2.gz HFXCZLXITWJCKK-GHMZBOCLSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)C[C@@H]1C ZINC000948001725 613789338 /nfs/dbraw/zinc/78/93/38/613789338.db2.gz DVKZGPYYRBXOLZ-ZFWWWQNUSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)C[C@@H]1C ZINC000948072638 613793975 /nfs/dbraw/zinc/79/39/75/613793975.db2.gz AOUKIJRANMPEJF-KBPBESRZSA-N 0 3 290.407 3.172 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001021106656 617898484 /nfs/dbraw/zinc/89/84/84/617898484.db2.gz PDGVADGYKQSNNS-HDJSIYSDSA-N 0 3 298.858 3.192 20 30 CGEDHN C#CCC1(NCc2cccc(C(=O)OC)c2Cl)CCC1 ZINC000933296803 618193460 /nfs/dbraw/zinc/19/34/60/618193460.db2.gz OPPARSAKXMRJHN-UHFFFAOYSA-N 0 3 291.778 3.162 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001022130039 618232191 /nfs/dbraw/zinc/23/21/91/618232191.db2.gz XIDZJEIBBWITED-KFWWJZLASA-N 0 3 296.842 3.112 20 30 CGEDHN CCc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933644376 618276264 /nfs/dbraw/zinc/27/62/64/618276264.db2.gz OECDMTOREAJMRC-UHFFFAOYSA-N 0 3 285.387 3.087 20 30 CGEDHN CCCN(Cc1csc(C#N)c1)C[C@H]1CCCCO1 ZINC000891942347 618396861 /nfs/dbraw/zinc/39/68/61/618396861.db2.gz FDIXSSNTGPMOIX-CQSZACIVSA-N 0 3 278.421 3.401 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1csc(C#N)c1 ZINC000892019074 618490423 /nfs/dbraw/zinc/49/04/23/618490423.db2.gz NTQSTCCTRQRSRP-LBPRGKRZSA-N 0 3 286.400 3.388 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cc(-c2ccccc2)no1 ZINC000934469734 618626825 /nfs/dbraw/zinc/62/68/25/618626825.db2.gz YWWIOXMVGDVCNJ-CQSZACIVSA-N 0 3 254.333 3.492 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001017921596 618891273 /nfs/dbraw/zinc/89/12/73/618891273.db2.gz DDSPZAWNUFSOFY-WCXIOVBPSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCCN(CC)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000892851526 618943865 /nfs/dbraw/zinc/94/38/65/618943865.db2.gz LFCTZJMQKHJHPU-UHFFFAOYSA-N 0 3 293.455 3.025 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000119321827 618976750 /nfs/dbraw/zinc/97/67/50/618976750.db2.gz MKZOUXRVRSFICL-STQMWFEESA-N 0 3 294.826 3.402 20 30 CGEDHN C#C[C@H](N[C@H](C)c1ccc(CC)s1)[C@@H]1CCCO1 ZINC000775575007 619078331 /nfs/dbraw/zinc/07/83/31/619078331.db2.gz UGMBMUGQCCPLLY-XBFCOCLRSA-N 0 3 263.406 3.142 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cn(Cc2ccccc2)nn1 ZINC000893302683 619079289 /nfs/dbraw/zinc/07/92/89/619079289.db2.gz GZGONNJVIHJPCP-OAHLLOKOSA-N 0 3 284.407 3.161 20 30 CGEDHN CC[C@@H](C(=O)OC(C)(C)C)N(C)CC1CCC(C#N)CC1 ZINC000930868635 619085274 /nfs/dbraw/zinc/08/52/74/619085274.db2.gz XPQKCTSCKCCYJH-NRXISQOPSA-N 0 3 294.439 3.368 20 30 CGEDHN C#CCN(Cc1ccc2oc(=O)oc2c1)C1CCCCC1 ZINC000893978835 619343790 /nfs/dbraw/zinc/34/37/90/619343790.db2.gz XDLOTTPDQPTYKX-UHFFFAOYSA-N 0 3 285.343 3.154 20 30 CGEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1 ZINC000894700830 619607428 /nfs/dbraw/zinc/60/74/28/619607428.db2.gz VPKJGQVYYSMKAA-OAGGEKHMSA-N 0 3 290.432 3.135 20 30 CGEDHN N#CC1(CNCCc2cccc(OC(F)(F)F)c2)CCC1 ZINC000894967210 619688129 /nfs/dbraw/zinc/68/81/29/619688129.db2.gz RKRRUSIYXZLPPI-UHFFFAOYSA-N 0 3 298.308 3.411 20 30 CGEDHN N#CC1(CN[C@@H]2CCOC3(CCCCC3)C2)CCC1 ZINC000895025585 619698716 /nfs/dbraw/zinc/69/87/16/619698716.db2.gz KBPZPJNUFJFAGD-CQSZACIVSA-N 0 3 262.397 3.152 20 30 CGEDHN COCCCON=C(C)c1ccc(N2CCCCC2)cc1 ZINC000795048553 619808720 /nfs/dbraw/zinc/80/87/20/619808720.db2.gz MJJFZHJEBAHOLJ-UHFFFAOYSA-N 0 3 290.407 3.454 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)cs1 ZINC000895403969 619823754 /nfs/dbraw/zinc/82/37/54/619823754.db2.gz HWOPFFMBJMGNCR-GOEBONIOSA-N 0 3 290.432 3.401 20 30 CGEDHN C#CCCN(CCOC)Cc1ccc(C(F)F)c(F)c1 ZINC000895470984 619833952 /nfs/dbraw/zinc/83/39/52/619833952.db2.gz FYEWLTMUELRARP-UHFFFAOYSA-N 0 3 285.309 3.235 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@H](c1ccccc1)[C@@H](C)O ZINC000895473113 619835605 /nfs/dbraw/zinc/83/56/05/619835605.db2.gz LZAIMLNGLGRVOR-BEFAXECRSA-N 0 3 294.398 3.387 20 30 CGEDHN C=CCCC(C)(C)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000895471363 619836734 /nfs/dbraw/zinc/83/67/34/619836734.db2.gz MUBDTTGWMZPZPI-UHFFFAOYSA-N 0 3 294.351 3.143 20 30 CGEDHN C=CCC1(O)CCN(C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000895834406 619894714 /nfs/dbraw/zinc/89/47/14/619894714.db2.gz KMPHEOWNORHFFX-ZDUSSCGKSA-N 0 3 295.373 3.471 20 30 CGEDHN C=CCC1(O)CCN(C/C=C\c2ccccc2OC)CC1 ZINC000895835702 619894783 /nfs/dbraw/zinc/89/47/83/619894783.db2.gz LZPZBSIXGRMFHS-VURMDHGXSA-N 0 3 287.403 3.111 20 30 CGEDHN C=CCC1(O)CCN(Cc2c(F)cccc2CC)CC1 ZINC000895835105 619894920 /nfs/dbraw/zinc/89/49/20/619894920.db2.gz ZOQGOVAEEAWQML-UHFFFAOYSA-N 0 3 277.383 3.291 20 30 CGEDHN C[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CCS1 ZINC000896950690 620111986 /nfs/dbraw/zinc/11/19/86/620111986.db2.gz DWFPAHVRGHRZCH-JQWIXIFHSA-N 0 3 264.369 3.071 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccccc1 ZINC000054272390 620180764 /nfs/dbraw/zinc/18/07/64/620180764.db2.gz OPJIDAVXYOLJQG-LJQANCHMSA-N 0 3 297.398 3.417 20 30 CGEDHN C[C@@H](CCC#N)CN1CC(c2nc(-c3ccccc3)no2)C1 ZINC000897320025 620201912 /nfs/dbraw/zinc/20/19/12/620201912.db2.gz HHYFLUCXVRFKRH-ZDUSSCGKSA-N 0 3 296.374 3.076 20 30 CGEDHN CSc1cc(CN[C@@H](C)CC(C)(C)C#N)ccn1 ZINC000925293801 620364913 /nfs/dbraw/zinc/36/49/13/620364913.db2.gz DWPNOOVSQAHSPB-NSHDSACASA-N 0 3 263.410 3.221 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001007046731 620383517 /nfs/dbraw/zinc/38/35/17/620383517.db2.gz WTQPXDZUVCRFAC-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN CC[C@H](NCc1ccc(N(C)C)nc1)c1cccc(C#N)c1 ZINC000902740877 621414793 /nfs/dbraw/zinc/41/47/93/621414793.db2.gz FNDVCBNCMDBFOP-KRWDZBQOSA-N 0 3 294.402 3.260 20 30 CGEDHN Cc1cccc(OC[C@@H](C)N[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902760667 621430213 /nfs/dbraw/zinc/43/02/13/621430213.db2.gz JSQMIPISEJPFGS-CABCVRRESA-N 0 3 295.386 3.380 20 30 CGEDHN C[C@@H](N[C@@H](C)COc1ccccc1)c1cc(C#N)ccn1 ZINC000902778974 621437432 /nfs/dbraw/zinc/43/74/32/621437432.db2.gz LGJQBQNKIVMPRE-UONOGXRCSA-N 0 3 281.359 3.071 20 30 CGEDHN C[C@@H](NC[C@H](C)Oc1ccccc1F)c1cc(C#N)ccn1 ZINC000902820702 621455141 /nfs/dbraw/zinc/45/51/41/621455141.db2.gz DVOSTNPKCXOJQY-QWHCGFSZSA-N 0 3 299.349 3.210 20 30 CGEDHN CC[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1 ZINC000902838621 621470008 /nfs/dbraw/zinc/47/00/08/621470008.db2.gz GWYCDPMHIILMON-FHWLQOOXSA-N 0 3 292.382 3.257 20 30 CGEDHN C[C@H](NC[C@H]1CCC2(CCCCC2)O1)c1cc(C#N)ccn1 ZINC000902969348 621502916 /nfs/dbraw/zinc/50/29/16/621502916.db2.gz DKWLZXCSELEGOT-GOEBONIOSA-N 0 3 299.418 3.486 20 30 CGEDHN COc1cccc(C[C@@H](NCC(C)(C)C#N)C2CC2)c1 ZINC000903100777 621574948 /nfs/dbraw/zinc/57/49/48/621574948.db2.gz XOFXKASUYSSRBC-MRXNPFEDSA-N 0 3 272.392 3.156 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCCc3ccccc3C2)n1 ZINC000903262616 621647786 /nfs/dbraw/zinc/64/77/86/621647786.db2.gz FQGLVAYJCQFSKM-HNNXBMFYSA-N 0 3 297.427 3.442 20 30 CGEDHN CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1nc(C#N)cs1 ZINC000903263347 621648317 /nfs/dbraw/zinc/64/83/17/621648317.db2.gz MJKQOORDGXAFRJ-WZRBSPASSA-N 0 3 263.410 3.319 20 30 CGEDHN C[C@H](NC1(C)C(C)(C)C1(C)C)c1cc(C#N)ccn1 ZINC000903442739 621753217 /nfs/dbraw/zinc/75/32/17/621753217.db2.gz SOKCEDRFTODUIR-NSHDSACASA-N 0 3 257.381 3.429 20 30 CGEDHN C#CCN(C(=O)[C@@H](CCC)CC(C)C)C1CCN(C)CC1 ZINC000906451547 622238214 /nfs/dbraw/zinc/23/82/14/622238214.db2.gz HRIZERNDFORHDH-INIZCTEOSA-N 0 3 292.467 3.005 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(C)c(Br)c1 ZINC000769977193 625583960 /nfs/dbraw/zinc/58/39/60/625583960.db2.gz AAZHYZFRPHQOQN-NSHDSACASA-N 0 3 266.182 3.211 20 30 CGEDHN C#CCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157033449 622861810 /nfs/dbraw/zinc/86/18/10/622861810.db2.gz ZGRWCJXSKKPYMT-ZDUSSCGKSA-N 0 3 263.768 3.064 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000171562861 623173342 /nfs/dbraw/zinc/17/33/42/623173342.db2.gz OICYMDAHXOJOHX-KGLIPLIRSA-N 0 3 281.359 3.223 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCCC3)C2)c(F)c1 ZINC000174262281 623379309 /nfs/dbraw/zinc/37/93/09/623379309.db2.gz GFJOMBKWWIYRJP-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN N#CC(C(=O)CCc1ccc(F)cc1F)c1ccccn1 ZINC000152263104 623636654 /nfs/dbraw/zinc/63/66/54/623636654.db2.gz ZZCWINHKWNYDKZ-CYBMUJFWSA-N 0 3 286.281 3.169 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992989890 623773810 /nfs/dbraw/zinc/77/38/10/623773810.db2.gz UQPOXSWARRJBJI-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C[C@H]1N(CCCCC2(C#N)CCC2)CCOC1(C)C ZINC000929840992 623840590 /nfs/dbraw/zinc/84/05/90/623840590.db2.gz JANRSGFZJDVKBJ-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993191150 623908149 /nfs/dbraw/zinc/90/81/49/623908149.db2.gz AFUZMUUKSWXBEP-GOEBONIOSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993196455 623940729 /nfs/dbraw/zinc/94/07/29/623940729.db2.gz INLQXODTBHEABC-DOTOQJQBSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993480428 624051209 /nfs/dbraw/zinc/05/12/09/624051209.db2.gz DLWLDKSRBSMNLR-UERKLNTKSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993480425 624051345 /nfs/dbraw/zinc/05/13/45/624051345.db2.gz DLWLDKSRBSMNLR-CTMQZQKCSA-N 0 3 290.451 3.112 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2CCCN(CC(=C)C)[C@H]2C)cc1 ZINC000993830335 624064006 /nfs/dbraw/zinc/06/40/06/624064006.db2.gz XRDLNPHHYMFQGW-YJBOKZPZSA-N 0 3 298.430 3.488 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994457667 624230755 /nfs/dbraw/zinc/23/07/55/624230755.db2.gz YMOBKPBVJJUJEU-WBVHZDCISA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994503123 624244025 /nfs/dbraw/zinc/24/40/25/624244025.db2.gz DTGVWRBSIZKHEM-RYUDHWBXSA-N 0 3 296.411 3.046 20 30 CGEDHN CCCCCCCCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000918395284 624345960 /nfs/dbraw/zinc/34/59/60/624345960.db2.gz NAQLHUQIMAVJMC-OAHLLOKOSA-N 0 3 268.445 3.338 20 30 CGEDHN CCCCCCCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000919655675 624415150 /nfs/dbraw/zinc/41/51/50/624415150.db2.gz WKKXTBCAIFVTLH-HNNXBMFYSA-N 0 3 283.460 3.130 20 30 CGEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCC=CCC1 ZINC000873497431 634391215 /nfs/dbraw/zinc/39/12/15/634391215.db2.gz KNHYXQMBLVNYBF-HNNXBMFYSA-N 0 3 290.407 3.138 20 30 CGEDHN C#CCN(Cc1ccc(CO)cc1)[C@@H]1CCc2ccccc21 ZINC000182687242 625024205 /nfs/dbraw/zinc/02/42/05/625024205.db2.gz STIBKSOGYYUHOR-HXUWFJFHSA-N 0 3 291.394 3.302 20 30 CGEDHN CCn1nc(C)c(CNCc2c(C)cc(C#N)cc2C)c1C ZINC000921670064 625815450 /nfs/dbraw/zinc/81/54/50/625815450.db2.gz HUISPNULQNKBLC-UHFFFAOYSA-N 0 3 296.418 3.298 20 30 CGEDHN N#Cc1ccc(Br)c(CNC2CC=CC2)c1 ZINC000921839136 625897324 /nfs/dbraw/zinc/89/73/24/625897324.db2.gz LPNQYBYNIQKQGE-UHFFFAOYSA-N 0 3 277.165 3.129 20 30 CGEDHN Cc1cc(CO)cc(C)c1CNCc1ccc(C#N)c(F)c1 ZINC000922561549 626012933 /nfs/dbraw/zinc/01/29/33/626012933.db2.gz CESHGZGZHABOEX-UHFFFAOYSA-N 0 3 298.361 3.096 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001005449885 626090656 /nfs/dbraw/zinc/09/06/56/626090656.db2.gz ZIAACOLLAXTWRL-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C#CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000752087139 626418493 /nfs/dbraw/zinc/41/84/93/626418493.db2.gz HOECULOGDHJBOI-UHFFFAOYSA-N 0 3 288.394 3.007 20 30 CGEDHN Cc1c([C@@H](C)NCCCC#N)cnn1-c1ccccc1 ZINC000753735088 626463829 /nfs/dbraw/zinc/46/38/29/626463829.db2.gz QQXCSAWGPXLZLG-CYBMUJFWSA-N 0 3 268.364 3.135 20 30 CGEDHN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000754667622 626581149 /nfs/dbraw/zinc/58/11/49/626581149.db2.gz KUSJQIHSVAQWJR-GFCCVEGCSA-N 0 3 299.399 3.218 20 30 CGEDHN Cc1[nH]cnc1C=NNc1cc(C(F)(F)F)ccc1F ZINC000755814091 626649487 /nfs/dbraw/zinc/64/94/87/626649487.db2.gz JNUWNUIXYDLPGJ-UHFFFAOYSA-N 0 3 286.232 3.322 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)cc1 ZINC000755874298 626655484 /nfs/dbraw/zinc/65/54/84/626655484.db2.gz MDLWUPHMMIGNHB-JTQLQIEISA-N 0 3 263.772 3.222 20 30 CGEDHN C=CCCOCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756777160 626731293 /nfs/dbraw/zinc/73/12/93/626731293.db2.gz WEVKNTBKBGLPRP-AAEUAGOBSA-N 0 3 279.355 3.262 20 30 CGEDHN C=C(Cl)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124857072 634521674 /nfs/dbraw/zinc/52/16/74/634521674.db2.gz AEQVECBEGIYEJA-MJBXVCDLSA-N 0 3 257.805 3.145 20 30 CGEDHN Fc1ccc(/C=C/C=NNCCN2CCCCC2)c(F)c1 ZINC000758113705 626827990 /nfs/dbraw/zinc/82/79/90/626827990.db2.gz SSXDDPWWTHKJGY-PAGQKYOFSA-N 0 3 293.361 3.039 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCCCN1C1CC1 ZINC000764939503 627233549 /nfs/dbraw/zinc/23/35/49/627233549.db2.gz CQYKFWPUORCWLA-INIZCTEOSA-N 0 3 297.402 3.190 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@H]1CCCCN1C1CC1 ZINC000764939504 627233555 /nfs/dbraw/zinc/23/35/55/627233555.db2.gz CQYKFWPUORCWLA-MRXNPFEDSA-N 0 3 297.402 3.190 20 30 CGEDHN C#CCCCN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000766896910 627368700 /nfs/dbraw/zinc/36/87/00/627368700.db2.gz VHAVNBHDSAUZLR-UHFFFAOYSA-N 0 3 294.801 3.010 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000768359535 627475744 /nfs/dbraw/zinc/47/57/44/627475744.db2.gz FHVXVZALRJEAMK-LJQANCHMSA-N 0 3 292.382 3.431 20 30 CGEDHN C=CCN(Cc1cnc2ccc(Cl)cn12)C(C)C ZINC000768547464 627485773 /nfs/dbraw/zinc/48/57/73/627485773.db2.gz NNVBCTBDDFCJRD-UHFFFAOYSA-N 0 3 263.772 3.384 20 30 CGEDHN CCCCCCCN(CCO)Cc1ccc(C)o1 ZINC000768840754 627503216 /nfs/dbraw/zinc/50/32/16/627503216.db2.gz DZBIVSVJKVEPJU-UHFFFAOYSA-N 0 3 253.386 3.353 20 30 CGEDHN C#CCCOc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000769142308 627525315 /nfs/dbraw/zinc/52/53/15/627525315.db2.gz UNDZPKPPYBNDNW-GASCZTMLSA-N 0 3 289.444 3.415 20 30 CGEDHN CC(C)CN(CCC#N)CCCC1CCOCC1 ZINC000769434594 627551708 /nfs/dbraw/zinc/55/17/08/627551708.db2.gz IAEWKKLQCVRLSF-UHFFFAOYSA-N 0 3 252.402 3.065 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000769962708 627592948 /nfs/dbraw/zinc/59/29/48/627592948.db2.gz HZRFGSFBTXMRQX-NSHDSACASA-N 0 3 271.282 3.081 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000769977595 627594290 /nfs/dbraw/zinc/59/42/90/627594290.db2.gz MFYFRVOGZWVYAY-ZDUSSCGKSA-N 0 3 288.391 3.487 20 30 CGEDHN CCc1cnccc1[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC000773430572 627883456 /nfs/dbraw/zinc/88/34/56/627883456.db2.gz ZYCCJVKNJPCUJG-CYBMUJFWSA-N 0 3 295.386 3.375 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000775019125 628054189 /nfs/dbraw/zinc/05/41/89/628054189.db2.gz LJXZTCADHRUNFH-ZDUSSCGKSA-N 0 3 273.376 3.300 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775269690 628076613 /nfs/dbraw/zinc/07/66/13/628076613.db2.gz IEJALLGRUOJLCZ-CABCVRRESA-N 0 3 284.403 3.266 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)CCCCC1 ZINC000874826438 634627768 /nfs/dbraw/zinc/62/77/68/634627768.db2.gz OBSCJMGYFGNARJ-HZPDHXFCSA-N 0 3 290.451 3.208 20 30 CGEDHN N#Cc1cccc(C2(NC[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000775431535 628094926 /nfs/dbraw/zinc/09/49/26/628094926.db2.gz XZGHNQBSCHOGMU-LBPRGKRZSA-N 0 3 281.186 3.331 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)[C@@H]1CCCO1 ZINC000775573157 628109531 /nfs/dbraw/zinc/10/95/31/628109531.db2.gz WNNJOPSRPOSHFB-RNJTYBCJSA-N 0 3 269.388 3.395 20 30 CGEDHN C#C[C@H](NC1CC(c2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC000775574462 628109941 /nfs/dbraw/zinc/10/99/41/628109941.db2.gz PJJQYCRVCJSFIY-MHVXSEJMSA-N 0 3 289.806 3.356 20 30 CGEDHN C#CCOc1ccccc1CN1CCOCC2(CCCC2)C1 ZINC000776017788 628158448 /nfs/dbraw/zinc/15/84/48/628158448.db2.gz RMCRBTCVOFDSLX-UHFFFAOYSA-N 0 3 299.414 3.091 20 30 CGEDHN C=C(C)C[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000779148712 628390062 /nfs/dbraw/zinc/39/00/62/628390062.db2.gz JDIYSXUJLIXTHD-UHFFFAOYSA-N 0 3 284.197 3.471 20 30 CGEDHN C=C(C)C[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000779148712 628390063 /nfs/dbraw/zinc/39/00/63/628390063.db2.gz JDIYSXUJLIXTHD-UHFFFAOYSA-N 0 3 284.197 3.471 20 30 CGEDHN C#CCN[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000780775320 628516266 /nfs/dbraw/zinc/51/62/66/628516266.db2.gz VAECMFUEKVOSHP-IBGZPJMESA-N 0 3 295.382 3.210 20 30 CGEDHN CC(C)(C#N)CCCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000786881094 628968300 /nfs/dbraw/zinc/96/83/00/628968300.db2.gz SCFFDINEBIVJLR-OAHLLOKOSA-N 0 3 292.423 3.267 20 30 CGEDHN CCCCCCCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000787474253 629014023 /nfs/dbraw/zinc/01/40/23/629014023.db2.gz QXWVGSANHFUCIR-HNNXBMFYSA-N 0 3 266.429 3.090 20 30 CGEDHN C#Cc1ccc(CN(C)[C@H](C)c2ccncc2)cc1 ZINC000787773677 629029403 /nfs/dbraw/zinc/02/94/03/629029403.db2.gz CPPPVJCALHVQLB-CQSZACIVSA-N 0 3 250.345 3.256 20 30 CGEDHN C#CC(C)(C)N(C)CCOc1ccc(Cl)cc1 ZINC000787997348 629038498 /nfs/dbraw/zinc/03/84/98/629038498.db2.gz KSCJTXKMSOEAPU-UHFFFAOYSA-N 0 3 251.757 3.062 20 30 CGEDHN C=C(C)CN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787995696 629038523 /nfs/dbraw/zinc/03/85/23/629038523.db2.gz QAARNXDFYQAPNY-INIZCTEOSA-N 0 3 280.412 3.038 20 30 CGEDHN C=C[C@H](CC)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805908989 629178677 /nfs/dbraw/zinc/17/86/77/629178677.db2.gz KLAFWURVDPZKRW-QGZVFWFLSA-N 0 3 287.403 3.406 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CCCO1)c1nccc2ccccc21 ZINC000792100158 629337660 /nfs/dbraw/zinc/33/76/60/629337660.db2.gz KMLLIRAHIXGUQG-GOEBONIOSA-N 0 3 294.354 3.370 20 30 CGEDHN CCCCCCCCCN1CCOC[C@H]1C[C@@H](C)O ZINC000792292254 629354755 /nfs/dbraw/zinc/35/47/55/629354755.db2.gz VVYGJSQKWJTAIZ-HZPDHXFCSA-N 0 3 271.445 3.209 20 30 CGEDHN CCCCCCCCCN1CCO[C@@]2(CCOC2)C1 ZINC000792292456 629354925 /nfs/dbraw/zinc/35/49/25/629354925.db2.gz XIXAQCVJKYNQJQ-INIZCTEOSA-N 0 3 269.429 3.228 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cccc(Br)c2)C1 ZINC000862442497 629375122 /nfs/dbraw/zinc/37/51/22/629375122.db2.gz CVIOEHUSLKOFIE-GFCCVEGCSA-N 0 3 278.193 3.294 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000862443807 629376533 /nfs/dbraw/zinc/37/65/33/629376533.db2.gz USXLOPGLRHEDKQ-GFCCVEGCSA-N 0 3 262.422 3.286 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000862443808 629376792 /nfs/dbraw/zinc/37/67/92/629376792.db2.gz USXLOPGLRHEDKQ-LBPRGKRZSA-N 0 3 262.422 3.286 20 30 CGEDHN C=C(Cl)CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792897401 629391520 /nfs/dbraw/zinc/39/15/20/629391520.db2.gz AWJPMBFYODUGMD-DTWKUNHWSA-N 0 3 254.588 3.255 20 30 CGEDHN CC[C@@H](C)CON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000793158596 629418235 /nfs/dbraw/zinc/41/82/35/629418235.db2.gz JAKSISQBDMHBDQ-CABCVRRESA-N 0 3 290.407 3.308 20 30 CGEDHN C=CCCCCC[C@H](C)NCc1nnc2n1CCCC2 ZINC000793555782 629483110 /nfs/dbraw/zinc/48/31/10/629483110.db2.gz VKOCRSPMVALECP-AWEZNQCLSA-N 0 3 276.428 3.229 20 30 CGEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000794575227 629558183 /nfs/dbraw/zinc/55/81/83/629558183.db2.gz UKGJKUWDRZYIKL-CYBMUJFWSA-N 0 3 285.309 3.082 20 30 CGEDHN C=CCNN=C(C)c1ccc(N2CCCCC2)cc1 ZINC000795000055 629617797 /nfs/dbraw/zinc/61/77/97/629617797.db2.gz YACYQYROSMMNJY-UHFFFAOYSA-N 0 3 257.381 3.177 20 30 CGEDHN N#Cc1cc([O-])ccc1-c1cccc(C[C@@H]2CC[NH2+]C2)c1 ZINC000863723248 629660564 /nfs/dbraw/zinc/66/05/64/629660564.db2.gz UUGLEYVOWGJGRR-AWEZNQCLSA-N 0 3 278.355 3.083 20 30 CGEDHN C=CCOc1ccc(C[NH2+]Cc2c([O-])cccc2OC)cc1 ZINC000796442542 629780803 /nfs/dbraw/zinc/78/08/03/629780803.db2.gz OUZQENQHFMSEPC-UHFFFAOYSA-N 0 3 299.370 3.255 20 30 CGEDHN C=CCOc1ccc(CNCc2c(O)cccc2OC)cc1 ZINC000796442542 629780806 /nfs/dbraw/zinc/78/08/06/629780806.db2.gz OUZQENQHFMSEPC-UHFFFAOYSA-N 0 3 299.370 3.255 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@H](C)O[C@@H]2C)c([O-])c1 ZINC000864347189 629815866 /nfs/dbraw/zinc/81/58/66/629815866.db2.gz LWVOSLPHIBLXNS-JLXLTYDBSA-N 0 3 290.407 3.223 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000798086885 630020751 /nfs/dbraw/zinc/02/07/51/630020751.db2.gz XHVWHCGTPSQUAH-MLGOLLRUSA-N 0 3 295.810 3.425 20 30 CGEDHN C#CCN1CCC(c2cccc(Br)c2)CC1 ZINC000799199777 630157965 /nfs/dbraw/zinc/15/79/65/630157965.db2.gz HTHVIWGHOZKJHL-UHFFFAOYSA-N 0 3 278.193 3.262 20 30 CGEDHN CCOc1cc(F)cc(CNCC2(CC#N)CC2)c1 ZINC000865550752 630183480 /nfs/dbraw/zinc/18/34/80/630183480.db2.gz IRRACXUMIJFDMK-UHFFFAOYSA-N 0 3 262.328 3.008 20 30 CGEDHN C#C[C@H](NCc1cc(Cl)c(OCC)c(OC)c1)C(C)C ZINC000809685206 630781153 /nfs/dbraw/zinc/78/11/53/630781153.db2.gz GEZMNUKROUFMQO-AWEZNQCLSA-N 0 3 295.810 3.495 20 30 CGEDHN C#C[C@@H](NCc1ccnn1-c1ccccc1C)C(C)(C)C ZINC000809782489 630807413 /nfs/dbraw/zinc/80/74/13/630807413.db2.gz WBFGDUYJVHMICF-QGZVFWFLSA-N 0 3 281.403 3.318 20 30 CGEDHN C#C[C@@H](NCc1ccnn1-c1ccccc1OC)C(C)(C)C ZINC000809782980 630807794 /nfs/dbraw/zinc/80/77/94/630807794.db2.gz NFHQWFKREDQBQM-QGZVFWFLSA-N 0 3 297.402 3.018 20 30 CGEDHN C[C@@H](CCC1CCCC1)NCc1nc(C#N)cs1 ZINC000810145504 630845850 /nfs/dbraw/zinc/84/58/50/630845850.db2.gz CILLRCRLLBSIMB-NSHDSACASA-N 0 3 263.410 3.463 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000810145955 630847082 /nfs/dbraw/zinc/84/70/82/630847082.db2.gz KXOKNRLFKJAELI-VXGBXAGGSA-N 0 3 261.394 3.073 20 30 CGEDHN C[C@H](O)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810212966 630855117 /nfs/dbraw/zinc/85/51/17/630855117.db2.gz IOZYLWUIQOKLSR-DJJJIMSYSA-N 0 3 292.382 3.389 20 30 CGEDHN C#C[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C(C)C ZINC000811505029 631077573 /nfs/dbraw/zinc/07/75/73/631077573.db2.gz AUXZMEXGEWDKEF-ZDUSSCGKSA-N 0 3 271.282 3.158 20 30 CGEDHN C#CCOc1ccccc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513500 631082610 /nfs/dbraw/zinc/08/26/10/631082610.db2.gz IVSYPQHFQRDNCU-SFHVURJKSA-N 0 3 281.399 3.463 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000876554601 634856198 /nfs/dbraw/zinc/85/61/98/634856198.db2.gz PHKHYYWSKYTGPE-HNNXBMFYSA-N 0 3 294.826 3.238 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OC)cs1 ZINC000878992182 635674119 /nfs/dbraw/zinc/67/41/19/635674119.db2.gz SYSRVQUCJBGGRB-BETUJISGSA-N 0 3 277.389 3.218 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)[C@@]12C[C@@H]1CCCC2 ZINC000879266060 635742641 /nfs/dbraw/zinc/74/26/41/635742641.db2.gz LTXWYCZJRGFEKC-VBNZEHGJSA-N 0 3 255.365 3.012 20 30 CGEDHN CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1[O-] ZINC000818355598 632312841 /nfs/dbraw/zinc/31/28/41/632312841.db2.gz HTUAKGPKUUJRGO-GZBFAFLISA-N 0 3 258.365 3.434 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000818357348 632314447 /nfs/dbraw/zinc/31/44/47/632314447.db2.gz ZZIYUNFVPQLBSS-HOSYDEDBSA-N 0 3 261.756 3.004 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CC23CC3)c([O-])c1 ZINC000818991521 632360450 /nfs/dbraw/zinc/36/04/50/632360450.db2.gz GJUIIXBPOSQFMH-ZCQLHAAUSA-N 0 3 258.365 3.210 20 30 CGEDHN C=C[C@H](CC)CC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000822190591 632884594 /nfs/dbraw/zinc/88/45/94/632884594.db2.gz HBWUMKJYMJMLNN-CYBMUJFWSA-N 0 3 290.407 3.298 20 30 CGEDHN COc1cccc2c1OCCC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000866341611 633088261 /nfs/dbraw/zinc/08/82/61/633088261.db2.gz OSNFREVEMVUSTG-IPYPFGDCSA-N 0 3 286.375 3.191 20 30 CGEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000866539412 633182692 /nfs/dbraw/zinc/18/26/92/633182692.db2.gz BWLUASHYERTICX-JSGCOSHPSA-N 0 3 273.336 3.075 20 30 CGEDHN C=C(C)CN(C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824114125 633199830 /nfs/dbraw/zinc/19/98/30/633199830.db2.gz POUQDCFCULXBGI-UHFFFAOYSA-N 0 3 298.386 3.380 20 30 CGEDHN C[C@H](NCC[C@@H](O)C1CCCC1)c1ccc(C#N)cc1F ZINC000866637524 633225190 /nfs/dbraw/zinc/22/51/90/633225190.db2.gz ICIDACYGHOCKLI-YVEFUNNKSA-N 0 3 290.382 3.289 20 30 CGEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccc(F)cc1)C(C)(C)C ZINC000824401082 633240804 /nfs/dbraw/zinc/24/08/04/633240804.db2.gz AVZFQKMUKYLPHI-MRXNPFEDSA-N 0 3 299.393 3.364 20 30 CGEDHN C#CCCOc1ccc(CNCc2cnc(C)cc2C)cc1 ZINC000825221607 633336685 /nfs/dbraw/zinc/33/66/85/633336685.db2.gz TUHHDICRDAWGKW-UHFFFAOYSA-N 0 3 294.398 3.390 20 30 CGEDHN C#C[C@@H](NCc1cncc(Br)c1C)C(C)(C)C ZINC000825940089 633389974 /nfs/dbraw/zinc/38/99/74/633389974.db2.gz LPZVNBNLVRAAOQ-CYBMUJFWSA-N 0 3 295.224 3.290 20 30 CGEDHN C#CCCN(CCOC)Cc1c(OC)ccc2ccccc21 ZINC000827818669 633521280 /nfs/dbraw/zinc/52/12/80/633521280.db2.gz UOZVAFZWKRPFEG-UHFFFAOYSA-N 0 3 297.398 3.320 20 30 CGEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162329 633535184 /nfs/dbraw/zinc/53/51/84/633535184.db2.gz FXPRGGIIXWAPTJ-KSSYENDESA-N 0 3 280.327 3.296 20 30 CGEDHN C#CCCCN1CC2(CCCC2)N(CCCC#C)C[C@H]1C ZINC000830924205 633898792 /nfs/dbraw/zinc/89/87/92/633898792.db2.gz UTHHZRDBKKBWGI-GOSISDBHSA-N 0 3 286.463 3.132 20 30 CGEDHN C#CC[C@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000831211130 633929005 /nfs/dbraw/zinc/92/90/05/633929005.db2.gz DUSIQPLXEYDZDA-HNNXBMFYSA-N 0 3 299.418 3.015 20 30 CGEDHN CC[C@H](Cc1cn(C)c2ccccc12)NCCC#N ZINC000872218318 634085112 /nfs/dbraw/zinc/08/51/12/634085112.db2.gz IBQBQGAXNXZSNC-CQSZACIVSA-N 0 3 255.365 3.003 20 30 CGEDHN N#CC(C(=O)CC1CC(F)(F)C1)c1nc2ccccc2[nH]1 ZINC000835036393 634327266 /nfs/dbraw/zinc/32/72/66/634327266.db2.gz KCBZTCBXLNBWDI-JTQLQIEISA-N 0 3 289.285 3.175 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000876593098 634864101 /nfs/dbraw/zinc/86/41/01/634864101.db2.gz XOMYTELZAVRTNJ-CABCVRRESA-N 0 3 292.810 3.128 20 30 CGEDHN C=CCCCCCN(C)Cc1ccc(Cl)nn1 ZINC000876749029 634892026 /nfs/dbraw/zinc/89/20/26/634892026.db2.gz HJDNBAHUOMLYGT-UHFFFAOYSA-N 0 3 253.777 3.308 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)C#CC(C)(C)C)c1 ZINC000837495874 634919911 /nfs/dbraw/zinc/91/99/11/634919911.db2.gz FUIWNCJGCIDCDY-UHFFFAOYSA-N 0 3 272.392 3.045 20 30 CGEDHN C=C(C)COCCNCc1cc2c(ccnc2Cl)o1 ZINC000877088498 634980913 /nfs/dbraw/zinc/98/09/13/634980913.db2.gz DYHHDAGJDYIKFT-UHFFFAOYSA-N 0 3 280.755 3.164 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000877303478 635021257 /nfs/dbraw/zinc/02/12/57/635021257.db2.gz IPLSBBFMMNAXSY-OAHLLOKOSA-N 0 3 274.408 3.185 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CC[C@H](C)O2)c([O-])c1 ZINC000840710034 635039078 /nfs/dbraw/zinc/03/90/78/635039078.db2.gz NSLLMQFJDNHVFP-XWPRTWDFSA-N 0 3 290.407 3.225 20 30 CGEDHN C=CCCCCCCNCc1ccc(Cl)nn1 ZINC000877521999 635071125 /nfs/dbraw/zinc/07/11/25/635071125.db2.gz KRNYNNNKBZMMFA-UHFFFAOYSA-N 0 3 253.777 3.356 20 30 CGEDHN Cc1nc(C)c(CN(C)CCc2cccc(C#N)c2)s1 ZINC000877704441 635157266 /nfs/dbraw/zinc/15/72/66/635157266.db2.gz OVIPPJPQSAXRNK-UHFFFAOYSA-N 0 3 285.416 3.306 20 30 CGEDHN FC(F)CNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841627215 635200235 /nfs/dbraw/zinc/20/02/35/635200235.db2.gz ZSOMZLXTQBJYJS-HNNXBMFYSA-N 0 3 293.361 3.197 20 30 CGEDHN CC(=O)[C@](C#N)(CCN(C)CCC(C)C)c1ccccc1 ZINC000877975876 635302260 /nfs/dbraw/zinc/30/22/60/635302260.db2.gz RJPCJADVNBENPW-GOSISDBHSA-N 0 3 286.419 3.405 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C2CC2)cc1 ZINC000878002249 635315037 /nfs/dbraw/zinc/31/50/37/635315037.db2.gz RTHADHQJWXVRTE-NZSAHSFTSA-N 0 3 296.414 3.480 20 30 CGEDHN C1C2CC1(NN=C1CCCC[C@H]1N1CCCCCC1)C2 ZINC000842545668 635397474 /nfs/dbraw/zinc/39/74/74/635397474.db2.gz KBYDRADFKBMEEZ-ARWYELJZSA-N 0 3 275.440 3.303 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000878328802 635463218 /nfs/dbraw/zinc/46/32/18/635463218.db2.gz OWBPXCOSZLYGEY-FRQCXROJSA-N 0 3 298.430 3.405 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000843424336 635668766 /nfs/dbraw/zinc/66/87/66/635668766.db2.gz SBROUDQXTYMWIR-CQSZACIVSA-N 0 3 272.348 3.139 20 30 CGEDHN C#CC1CCN(Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000843428007 635672616 /nfs/dbraw/zinc/67/26/16/635672616.db2.gz CKAUABUJXVXEQT-UHFFFAOYSA-N 0 3 295.329 3.142 20 30 CGEDHN N#Cc1cc(F)ccc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529368 635806172 /nfs/dbraw/zinc/80/61/72/635806172.db2.gz WZBZKEVXDUKKOS-BETUJISGSA-N 0 3 256.324 3.095 20 30 CGEDHN Fc1ccc(C#CCNC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000879734233 635846838 /nfs/dbraw/zinc/84/68/38/635846838.db2.gz GQIASNZCWCLNHP-KRWDZBQOSA-N 0 3 287.378 3.259 20 30 CGEDHN C#CCCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844471890 635912912 /nfs/dbraw/zinc/91/29/12/635912912.db2.gz HHCFGLRJOBFZQO-BZSNNMDCSA-N 0 3 269.388 3.394 20 30 CGEDHN C[C@H](NCCCC#N)c1ccc(C(F)(F)F)nc1 ZINC000880100748 635914177 /nfs/dbraw/zinc/91/41/77/635914177.db2.gz PPDJFPHYKHFFNE-VIFPVBQESA-N 0 3 257.259 3.055 20 30 CGEDHN N#CC(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nc2ccccc2[nH]1 ZINC000845437242 636035900 /nfs/dbraw/zinc/03/59/00/636035900.db2.gz UJUMWRCGTRJODW-RQJABVFESA-N 0 3 291.354 3.341 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@](C)(O)c1ccccc1 ZINC000846039927 636136005 /nfs/dbraw/zinc/13/60/05/636136005.db2.gz VMBHPAYXQODWTE-UGSOOPFHSA-N 0 3 298.361 3.083 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000846756243 636230724 /nfs/dbraw/zinc/23/07/24/636230724.db2.gz IQMRQEZNYHEVGD-NZRXSWGUSA-N 0 3 292.810 3.481 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846756243 636230725 /nfs/dbraw/zinc/23/07/25/636230725.db2.gz IQMRQEZNYHEVGD-NZRXSWGUSA-N 0 3 292.810 3.481 20 30 CGEDHN CC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000846937435 636288152 /nfs/dbraw/zinc/28/81/52/636288152.db2.gz GFAZSPYPOKURTQ-UHFFFAOYSA-N 0 3 262.397 3.152 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cnc3ccc(C)cc3c2)C1 ZINC000847019451 636312353 /nfs/dbraw/zinc/31/23/53/636312353.db2.gz QMQGIJVWEQYVGH-HNNXBMFYSA-N 0 3 264.372 3.388 20 30 CGEDHN C=C/C=C\CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000882945888 636472298 /nfs/dbraw/zinc/47/22/98/636472298.db2.gz MHYUAGBCZBXMTK-ABMHTHFZSA-N 0 3 286.375 3.006 20 30 CGEDHN Fc1ccc(N=NC2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000848398590 636566910 /nfs/dbraw/zinc/56/69/10/636566910.db2.gz KCPYPPKFACDEAE-HNNXBMFYSA-N 0 3 279.334 3.381 20 30 CGEDHN C=CCC[C@@H](NCc1ncc(CC)s1)[C@@H]1CCCO1 ZINC000883192540 636575597 /nfs/dbraw/zinc/57/55/97/636575597.db2.gz BMYWZQQLXYOSKA-KGLIPLIRSA-N 0 3 280.437 3.309 20 30 CGEDHN C#C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000848492920 636580322 /nfs/dbraw/zinc/58/03/22/636580322.db2.gz HPXAAQAMJIHBIY-CQSZACIVSA-N 0 3 295.382 3.399 20 30 CGEDHN C#C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000848492920 636580324 /nfs/dbraw/zinc/58/03/24/636580324.db2.gz HPXAAQAMJIHBIY-CQSZACIVSA-N 0 3 295.382 3.399 20 30 CGEDHN C=CCC[C@@H](NCc1ccc(Cl)cn1)[C@H]1CCCO1 ZINC000883210600 636587466 /nfs/dbraw/zinc/58/74/66/636587466.db2.gz WJUINJFCBXIQAA-HUUCEWRRSA-N 0 3 280.799 3.338 20 30 CGEDHN N#Cc1ccc(C2(N[C@@H]3CCCc4n[nH]cc43)CCC2)cc1 ZINC000848566968 636609137 /nfs/dbraw/zinc/60/91/37/636609137.db2.gz NBEHPBBTCRHSAJ-MRXNPFEDSA-N 0 3 292.386 3.328 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(COCC)c2)C1 ZINC000848924092 636695714 /nfs/dbraw/zinc/69/57/14/636695714.db2.gz NJEXECBSLUQKHW-OAHLLOKOSA-N 0 3 287.403 3.077 20 30 CGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000886046604 637384865 /nfs/dbraw/zinc/38/48/65/637384865.db2.gz JWNGRVAMCKEQTB-STQMWFEESA-N 0 3 292.810 3.435 20 30 CGEDHN C#CC[C@H]1CCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000886363767 637514669 /nfs/dbraw/zinc/51/46/69/637514669.db2.gz CGYCUUQARBUROF-STQMWFEESA-N 0 3 254.333 3.234 20 30 CGEDHN C#CCOCCN[C@H](CCC)c1ccc(F)cc1F ZINC000851905508 637540785 /nfs/dbraw/zinc/54/07/85/637540785.db2.gz GAFYSIWNUOCILO-OAHLLOKOSA-N 0 3 267.319 3.045 20 30 CGEDHN C#C[C@@H](C)N(C)CCSc1ccc(F)cc1F ZINC000851989501 637565551 /nfs/dbraw/zinc/56/55/51/637565551.db2.gz JQIDHEMKNIZTPW-SNVBAGLBSA-N 0 3 255.333 3.010 20 30 CGEDHN C#CCN(C(=O)C=C(CCC)CCC)C1CCN(C)CC1 ZINC000886579111 637590118 /nfs/dbraw/zinc/59/01/18/637590118.db2.gz YOCQHNIENLNDNV-UHFFFAOYSA-N 0 3 290.451 3.069 20 30 CGEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](CCC)c1ccccc1 ZINC000852098652 637592108 /nfs/dbraw/zinc/59/21/08/637592108.db2.gz RWUZQPOOVXBTTC-SJLPKXTDSA-N 0 3 286.419 3.036 20 30 CGEDHN C#C[C@@](C)(CC)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000852100012 637594306 /nfs/dbraw/zinc/59/43/06/637594306.db2.gz DRDARHVJNLMXDM-DOMZBBRYSA-N 0 3 260.337 3.356 20 30 CGEDHN C#CCOCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000852155751 637607820 /nfs/dbraw/zinc/60/78/20/637607820.db2.gz MCQFQMXOUVANBE-QGZVFWFLSA-N 0 3 269.388 3.254 20 30 CGEDHN C=CCC1(O)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000886776761 637684431 /nfs/dbraw/zinc/68/44/31/637684431.db2.gz ONPYJIOZUNVZMH-AWEZNQCLSA-N 0 3 270.376 3.022 20 30 CGEDHN CN(CCCF)Cc1ccc(C#N)cc1C(F)(F)F ZINC000887142314 637759512 /nfs/dbraw/zinc/75/95/12/637759512.db2.gz FJMHPBFOATXDIB-UHFFFAOYSA-N 0 3 274.261 3.368 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(F)c(C)c2)cc1 ZINC000113316681 638185203 /nfs/dbraw/zinc/18/52/03/638185203.db2.gz NHANVIBIWGJZAD-UHFFFAOYSA-N 0 3 283.346 3.436 20 30 CGEDHN C#CCCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000113320423 638199516 /nfs/dbraw/zinc/19/95/16/638199516.db2.gz QLBRNMFKQADWAX-UHFFFAOYSA-N 0 3 290.366 3.250 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000856372620 638353227 /nfs/dbraw/zinc/35/32/27/638353227.db2.gz OGVVVKGTGXSEGH-INIZCTEOSA-N 0 3 284.419 3.060 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2c(Cl)ccnc21 ZINC000925631300 638549860 /nfs/dbraw/zinc/54/98/60/638549860.db2.gz HHPXHLHOWXAEND-AWEZNQCLSA-N 0 3 280.799 3.295 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857912606 638600769 /nfs/dbraw/zinc/60/07/69/638600769.db2.gz CSEKHWSTFBTYSW-UPJWGTAASA-N 0 3 278.783 3.046 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858051151 638621775 /nfs/dbraw/zinc/62/17/75/638621775.db2.gz INYAMVXURGLFMW-XOKHGSTOSA-N 0 3 297.402 3.104 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050513 638621950 /nfs/dbraw/zinc/62/19/50/638621950.db2.gz GDXAMNVHODBOSQ-CZUORRHYSA-N 0 3 285.391 3.104 20 30 CGEDHN C#CC[C@H](COC)NCc1cc2cccc(CC)c2o1 ZINC000858335036 638685232 /nfs/dbraw/zinc/68/52/32/638685232.db2.gz UUTQNEFZDQFQRV-OAHLLOKOSA-N 0 3 271.360 3.123 20 30 CGEDHN C#CCCCN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000858367020 638694360 /nfs/dbraw/zinc/69/43/60/638694360.db2.gz HZTNAOCNIPUSMQ-AWEZNQCLSA-N 0 3 267.376 3.151 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](C)n2ncnc21 ZINC000926674860 638797569 /nfs/dbraw/zinc/79/75/69/638797569.db2.gz FOHPSFWMOWHNAO-CRWXNKLISA-N 0 3 260.385 3.008 20 30 CGEDHN C=C1CCC(C[NH2+][C@@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000926926235 638826322 /nfs/dbraw/zinc/82/63/22/638826322.db2.gz UOYPCJGLXUSUFA-MRXNPFEDSA-N 0 3 282.391 3.230 20 30 CGEDHN C=C1CCC(CN[C@H](C)c2nn(CC)nc2C)CC1 ZINC000926925667 638826517 /nfs/dbraw/zinc/82/65/17/638826517.db2.gz JVEDTTYVPYJAGY-GFCCVEGCSA-N 0 3 262.401 3.003 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929164912 638904676 /nfs/dbraw/zinc/90/46/76/638904676.db2.gz PECIUWYISZTVKU-ZIAGYGMSSA-N 0 3 298.308 3.100 20 30 CGEDHN CCOC(=O)/C=C\CN[C@H](CCCC#N)c1ccccc1 ZINC000930571934 639029219 /nfs/dbraw/zinc/02/92/19/639029219.db2.gz ZZXSLCKOGKTSKE-IYCSXQJISA-N 0 3 286.375 3.130 20 30 CGEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)C2(CCC2)CO1 ZINC000930857627 639078588 /nfs/dbraw/zinc/07/85/88/639078588.db2.gz YKEBPHBEQGPWGW-HNNXBMFYSA-N 0 3 276.424 3.494 20 30 CGEDHN N#Cc1cncc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000931261008 639127896 /nfs/dbraw/zinc/12/78/96/639127896.db2.gz KFELVFRSDACXAH-GBESFXJTSA-N 0 3 289.382 3.189 20 30 CGEDHN C=CC[C@@H]1CC[N@@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000859445529 639142955 /nfs/dbraw/zinc/14/29/55/639142955.db2.gz PVGMALZSEIMKLF-CYBMUJFWSA-N 0 3 299.370 3.205 20 30 CGEDHN C=CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000859445529 639142957 /nfs/dbraw/zinc/14/29/57/639142957.db2.gz PVGMALZSEIMKLF-CYBMUJFWSA-N 0 3 299.370 3.205 20 30 CGEDHN N#CCC1(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931911357 639227942 /nfs/dbraw/zinc/22/79/42/639227942.db2.gz MHYXDRXZVCOJDH-LLVKDONJSA-N 0 3 276.277 3.047 20 30 CGEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1ccns1 ZINC000860053673 639273338 /nfs/dbraw/zinc/27/33/38/639273338.db2.gz BQQVOCPBCTUKKK-LBPRGKRZSA-N 0 3 287.388 3.134 20 30 CGEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1ccns1 ZINC000860053672 639273994 /nfs/dbraw/zinc/27/39/94/639273994.db2.gz BQQVOCPBCTUKKK-GFCCVEGCSA-N 0 3 287.388 3.134 20 30 CGEDHN N#CCc1cccc2c1CCN(CC1CC(F)(F)C1)C2 ZINC000860109469 639284412 /nfs/dbraw/zinc/28/44/12/639284412.db2.gz UOVWCQYUJDVQBC-UHFFFAOYSA-N 0 3 276.330 3.156 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cc2ccccc2c(OC)c1 ZINC000934631744 639645607 /nfs/dbraw/zinc/64/56/07/639645607.db2.gz UGKBRTIWFDOTPA-GUYCJALGSA-N 0 3 285.387 3.436 20 30 CGEDHN C#Cc1ccc(NC(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000934936022 639718954 /nfs/dbraw/zinc/71/89/54/639718954.db2.gz VQMPQCOMBJNSFC-UHFFFAOYSA-N 0 3 299.418 3.006 20 30 CGEDHN C#CCN(Cc1cnc2ccc(C)cn12)C1CCCC1 ZINC000093819864 640783058 /nfs/dbraw/zinc/78/30/58/640783058.db2.gz BPMMPIANMBWEEO-UHFFFAOYSA-N 0 3 267.376 3.021 20 30 CGEDHN C=CCCC(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001155601488 805596385 /nfs/dbraw/zinc/59/63/85/805596385.db2.gz CQLUAPPXDSWNIN-GFCCVEGCSA-N 0 3 296.361 3.088 20 30 CGEDHN C=CCN(c1cc(CN(C)C)ccn1)C1CCCCC1 ZINC001157850064 805887065 /nfs/dbraw/zinc/88/70/65/805887065.db2.gz FUDFJHYKVOKDHN-UHFFFAOYSA-N 0 3 273.424 3.468 20 30 CGEDHN Cc1cc(C#N)cc(N(C2CCCC2)C2CCN(C)CC2)n1 ZINC001158494221 805961115 /nfs/dbraw/zinc/96/11/15/805961115.db2.gz XGQZDJQHDCKFID-UHFFFAOYSA-N 0 3 298.434 3.105 20 30 CGEDHN CC(C)N1CCN(c2nccc3ccc(C#N)cc32)C[C@@H]1C ZINC001158494418 805961180 /nfs/dbraw/zinc/96/11/80/805961180.db2.gz HURDINQLSKQYCW-AWEZNQCLSA-N 0 3 294.402 3.025 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCN(C2CCC2)CC1 ZINC001252121812 806009773 /nfs/dbraw/zinc/00/97/73/806009773.db2.gz MGHNMSKLKIBZEW-SFHVURJKSA-N 0 3 296.499 3.268 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001252125810 806012773 /nfs/dbraw/zinc/01/27/73/806012773.db2.gz HDQIWUAVJXXLCV-XUWVNRHRSA-N 0 3 271.420 3.388 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCSCC1 ZINC001252126523 806013560 /nfs/dbraw/zinc/01/35/60/806013560.db2.gz QBVBMBNAABWXIB-AWEZNQCLSA-N 0 3 259.459 3.147 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCN(CC(C)C)CC1 ZINC001252127155 806013743 /nfs/dbraw/zinc/01/37/43/806013743.db2.gz XSUWICDDMIYIPV-GOSISDBHSA-N 0 3 298.515 3.372 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CC2(CSC2)C1 ZINC001252134772 806020744 /nfs/dbraw/zinc/02/07/44/806020744.db2.gz YVQXKTHVNFSVBK-AWEZNQCLSA-N 0 3 271.470 3.147 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cncc(F)c1 ZINC001252136619 806024265 /nfs/dbraw/zinc/02/42/65/806024265.db2.gz RZYOZXVHJPLZNC-MRXNPFEDSA-N 0 3 282.403 3.422 20 30 CGEDHN C=CCOC[C@H](O)CN1CCC[C@H]1c1cccc(Cl)c1 ZINC001252472900 806049220 /nfs/dbraw/zinc/04/92/20/806049220.db2.gz CFQMDVGKZITEOY-CVEARBPZSA-N 0 3 295.810 3.040 20 30 CGEDHN C=C[C@@](C)(O)CN[C@H](c1ccccc1)c1cccc(OC)c1 ZINC001252582870 806075218 /nfs/dbraw/zinc/07/52/18/806075218.db2.gz XZWLBFRWGZHXTD-RTBURBONSA-N 0 3 297.398 3.311 20 30 CGEDHN C=CCC[C@@H](O)CNCc1ccccc1OC(F)(F)F ZINC001252588638 806078486 /nfs/dbraw/zinc/07/84/86/806078486.db2.gz DRVUPDJMNDHWEX-GFCCVEGCSA-N 0 3 289.297 3.002 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1CCc2[nH]ccc2C1 ZINC001253242556 806191813 /nfs/dbraw/zinc/19/18/13/806191813.db2.gz NEYPCADPXMUEAR-MRXNPFEDSA-N 0 3 276.424 3.260 20 30 CGEDHN CCCCCCCCCN(C)[C@@H]1CCN(C2CC2)C1=O ZINC001253304252 806203234 /nfs/dbraw/zinc/20/32/34/806203234.db2.gz SMIASRKDPZZGPY-MRXNPFEDSA-N 0 3 280.456 3.432 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1nc(C)c2ccccc2n1 ZINC001160953162 806329317 /nfs/dbraw/zinc/32/93/17/806329317.db2.gz UIZUVBSGNBYUKM-AWEZNQCLSA-N 0 3 282.391 3.001 20 30 CGEDHN C[C@@]1(C#N)CCN(C2CCc3ccccc3CC2)C1 ZINC001254463601 806411825 /nfs/dbraw/zinc/41/18/25/806411825.db2.gz SLMFLLLDHZZVEI-KRWDZBQOSA-N 0 3 254.377 3.170 20 30 CGEDHN C#CCN(CC#C)[C@@H](CCC)CCc1ccccc1 ZINC001254497964 806419176 /nfs/dbraw/zinc/41/91/76/806419176.db2.gz GEEKULYBAGSXMT-SFHVURJKSA-N 0 3 253.389 3.356 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001161771137 806451346 /nfs/dbraw/zinc/45/13/46/806451346.db2.gz IEFWUFRBKKMHEJ-HNNXBMFYSA-N 0 3 292.467 3.383 20 30 CGEDHN CC(C)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC001254646655 806471724 /nfs/dbraw/zinc/47/17/24/806471724.db2.gz NTJBLPMJBUDPPI-YCPHGPKFSA-N 0 3 257.381 3.451 20 30 CGEDHN CC(C)c1noc([C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC001254670717 806481080 /nfs/dbraw/zinc/48/10/80/806481080.db2.gz LNUAAXBZZYDYQT-MCIONIFRSA-N 0 3 288.395 3.065 20 30 CGEDHN N#Cc1ccccc1O[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254671432 806481627 /nfs/dbraw/zinc/48/16/27/806481627.db2.gz REKPYOGBOHBWOE-DJIMGWMZSA-N 0 3 295.386 3.094 20 30 CGEDHN C#CCCCNc1cccc(N2CCCC[C@H]2C)n1 ZINC001162440049 806586272 /nfs/dbraw/zinc/58/62/72/806586272.db2.gz LLZCBTUHHZMMSP-CQSZACIVSA-N 0 3 257.381 3.286 20 30 CGEDHN CC1(C)CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001255297641 806598530 /nfs/dbraw/zinc/59/85/30/806598530.db2.gz FBOHFOJJUVCCLV-UHFFFAOYSA-N 0 3 265.788 3.409 20 30 CGEDHN C=CCN[C@H]1CCOc2ccc(Br)cc21 ZINC000037185046 798863006 /nfs/dbraw/zinc/86/30/06/798863006.db2.gz QHJPYYJQGCANMM-NSHDSACASA-N 0 3 268.154 3.048 20 30 CGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(O)c1 ZINC000037319140 798866687 /nfs/dbraw/zinc/86/66/87/798866687.db2.gz PHDMAVNCPWSIPC-ZDUSSCGKSA-N 0 3 282.343 3.145 20 30 CGEDHN Cc1cc(F)c(C#N)c(NC[C@H]2CCCCN2C2CC2)c1 ZINC001163241341 806733426 /nfs/dbraw/zinc/73/34/26/806733426.db2.gz DJOLTGQIYODMIS-CQSZACIVSA-N 0 3 287.382 3.435 20 30 CGEDHN C=CC[C@@H](CC)NCc1occc1Br ZINC000379603912 799351541 /nfs/dbraw/zinc/35/15/41/799351541.db2.gz OOIJXQYRLBSBMK-SECBINFHSA-N 0 3 258.159 3.486 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)CCC(C)C)CC1 ZINC001163325310 806739901 /nfs/dbraw/zinc/73/99/01/806739901.db2.gz WTSPMXRXXWWITR-UHFFFAOYSA-N 0 3 286.847 3.051 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)CC(C)(C)C)CC1 ZINC001163448404 806763432 /nfs/dbraw/zinc/76/34/32/806763432.db2.gz ZYSJYGZCASCXEI-UHFFFAOYSA-N 0 3 286.847 3.051 20 30 CGEDHN C[C@@H](Cc1ccc(F)cc1)NC(=N)c1ccc(Cl)cn1 ZINC001255858685 806771780 /nfs/dbraw/zinc/77/17/80/806771780.db2.gz AVURVUMMMRTINX-JTQLQIEISA-N 0 3 291.757 3.211 20 30 CGEDHN C=C1CCC(CN[C@@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000724445416 800362372 /nfs/dbraw/zinc/36/23/72/800362372.db2.gz WVHYDYYAMPYFAV-NSHDSACASA-N 0 3 294.420 3.327 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027903506 800826140 /nfs/dbraw/zinc/82/61/40/800826140.db2.gz IKJBJOPJKRASNN-SJORKVTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)CC1 ZINC001032607224 800932936 /nfs/dbraw/zinc/93/29/36/800932936.db2.gz JOLJXRCQOBWWRI-IRXDYDNUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033921536 800987737 /nfs/dbraw/zinc/98/77/37/800987737.db2.gz CAYOAUXWODVIGJ-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001034373496 801021539 /nfs/dbraw/zinc/02/15/39/801021539.db2.gz TUQVUJYHDBCDKE-MRXNPFEDSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034409894 801024322 /nfs/dbraw/zinc/02/43/22/801024322.db2.gz ZTMFDUDTRRMNFQ-IXDOHACOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034477701 801028728 /nfs/dbraw/zinc/02/87/28/801028728.db2.gz PDHQQVIVOLZTFG-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034547414 801033629 /nfs/dbraw/zinc/03/36/29/801033629.db2.gz QKCRJNZWAGCLSL-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001038246562 801122672 /nfs/dbraw/zinc/12/26/72/801122672.db2.gz NHAGKGROZIIIBZ-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039896090 801168060 /nfs/dbraw/zinc/16/80/60/801168060.db2.gz DUUJCOPIESTSPH-JZXOWHBKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(CC)s2)CC1 ZINC001045493891 801276277 /nfs/dbraw/zinc/27/62/77/801276277.db2.gz FUKVHYLJQOHIEY-UHFFFAOYSA-N 0 3 292.448 3.081 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001045607343 801281721 /nfs/dbraw/zinc/28/17/21/801281721.db2.gz UGJIIZRUIUQUJD-QAPCUYQASA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046254168 801305815 /nfs/dbraw/zinc/30/58/15/801305815.db2.gz JCORZOXCWYDAOB-QGZVFWFLSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccccc2Cl)C1 ZINC001046790013 801326109 /nfs/dbraw/zinc/32/61/09/801326109.db2.gz XHBPECKJKYAFCK-MRXNPFEDSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046810875 801326256 /nfs/dbraw/zinc/32/62/56/801326256.db2.gz IEJPJCSQICILQM-GOSISDBHSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001046860973 801330456 /nfs/dbraw/zinc/33/04/56/801330456.db2.gz RABGJSXEBVFFKX-MAUKXSAKSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)cc(C)c1 ZINC001049863197 801390789 /nfs/dbraw/zinc/39/07/89/801390789.db2.gz LSUSDIKXXNKXGV-QZTJIDSGSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)c3ccco3)cc2C1 ZINC001054253113 801482242 /nfs/dbraw/zinc/48/22/42/801482242.db2.gz NAMDISZIZWVKGF-UHFFFAOYSA-N 0 3 296.370 3.101 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373730 801531598 /nfs/dbraw/zinc/53/15/98/801531598.db2.gz NQXJAAZPORAYCF-NVXWUHKLSA-N 0 3 290.451 3.422 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(CC(=C)C)C2)cc1 ZINC001071828302 801554102 /nfs/dbraw/zinc/55/41/02/801554102.db2.gz MNUJPPPPGUBROF-YJBOKZPZSA-N 0 3 298.430 3.488 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3C(C)C)C2)C1 ZINC001072800216 801573463 /nfs/dbraw/zinc/57/34/63/801573463.db2.gz ICZNSLBVEPJKFD-UHFFFAOYSA-N 0 3 298.430 3.144 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536637 801691433 /nfs/dbraw/zinc/69/14/33/801691433.db2.gz GKWGKGKDWBHVHO-CQSZACIVSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085537708 801691988 /nfs/dbraw/zinc/69/19/88/801691988.db2.gz FVFXTNGCKROARH-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001085612420 801696978 /nfs/dbraw/zinc/69/69/78/801696978.db2.gz QXSRUWNAMWCHHP-DLBZAZTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085670499 801698742 /nfs/dbraw/zinc/69/87/42/801698742.db2.gz XGBYVCKIFWYGIL-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935511 801712550 /nfs/dbraw/zinc/71/25/50/801712550.db2.gz HFYKVZSMUDTRAK-ULQDDVLXSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001086041339 801720889 /nfs/dbraw/zinc/72/08/89/801720889.db2.gz OOBVTBHGADZSPD-OTVXOJSOSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C)C2CC2)C1 ZINC001088288859 801781375 /nfs/dbraw/zinc/78/13/75/801781375.db2.gz DJPLUICWAGGVLE-DZGCQCFKSA-N 0 3 298.858 3.146 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC2(C)CC2)C1 ZINC001088349058 801786071 /nfs/dbraw/zinc/78/60/71/801786071.db2.gz KHZYWNZPKYUMEC-CQSZACIVSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCC1 ZINC001089602134 801846564 /nfs/dbraw/zinc/84/65/64/801846564.db2.gz XFLBAOCVGUNRKS-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C2CCCCCC2)C1 ZINC001090949459 801851689 /nfs/dbraw/zinc/85/16/89/801851689.db2.gz OOBVTBHGADZSPD-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CCCC(C)C)C1 ZINC001100699443 801961307 /nfs/dbraw/zinc/96/13/07/801961307.db2.gz PHENTFSIBYWRSQ-UHFFFAOYSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CC[C@@H](C)CC)C1 ZINC001100775621 801964483 /nfs/dbraw/zinc/96/44/83/801964483.db2.gz AVBYBMBHACNLMH-XGNXJENSSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109656260 802121357 /nfs/dbraw/zinc/12/13/57/802121357.db2.gz LHPVCMMZQFZQBS-SQNIBIBYSA-N 0 3 298.430 3.264 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CCC)C2 ZINC001109891797 802127921 /nfs/dbraw/zinc/12/79/21/802127921.db2.gz UJSOMDCTGKBBEX-WCVJEAGWSA-N 0 3 278.440 3.110 20 30 CGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)F)C2 ZINC001110234796 802134300 /nfs/dbraw/zinc/13/43/00/802134300.db2.gz GEZCLJMEHJJKRW-KFWWJZLASA-N 0 3 298.446 3.426 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110933321 802150242 /nfs/dbraw/zinc/15/02/42/802150242.db2.gz JORPOWSKJCBCRP-HZMVEIRTSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCC)C2 ZINC001111190215 802156884 /nfs/dbraw/zinc/15/68/84/802156884.db2.gz UJSOMDCTGKBBEX-FPCVCCKLSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001111894393 802170488 /nfs/dbraw/zinc/17/04/88/802170488.db2.gz DDRKSGWMIRSKOM-VKJFTORMSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001112723810 802186242 /nfs/dbraw/zinc/18/62/42/802186242.db2.gz CRIKDUZCCWKZRR-FJVVXJACSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC(C)(C)CC)CC1 ZINC001112890349 802194674 /nfs/dbraw/zinc/19/46/74/802194674.db2.gz DIHBXHRAOLEXGH-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN(CC)c1ccc(CN2CCCC2)cn1 ZINC001165141284 806972555 /nfs/dbraw/zinc/97/25/55/806972555.db2.gz IGMIDRPIMLQFSV-UHFFFAOYSA-N 0 3 259.397 3.080 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccc3c(c2)CCC3)s1 ZINC001116482607 802362237 /nfs/dbraw/zinc/36/22/37/802362237.db2.gz JXUMVPYQWVDFMT-UHFFFAOYSA-N 0 3 298.411 3.277 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C2CC3(CC3)C2)CC1 ZINC001266390187 808254724 /nfs/dbraw/zinc/25/47/24/808254724.db2.gz NPYXNHAQEDXAAL-UHFFFAOYSA-N 0 3 290.451 3.066 20 30 CGEDHN N#CCC1(CNCc2ccccc2N2CCCC2)CC1 ZINC001116898222 802426544 /nfs/dbraw/zinc/42/65/44/802426544.db2.gz IWXBVZYVGZTJFD-UHFFFAOYSA-N 0 3 269.392 3.070 20 30 CGEDHN C[C@@H](CCCC#N)N1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001172490974 808350055 /nfs/dbraw/zinc/35/00/55/808350055.db2.gz BEASDJVFUCURBE-STQMWFEESA-N 0 3 282.384 3.095 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cnc3c(F)cccc3c2)C1 ZINC001119300697 802644726 /nfs/dbraw/zinc/64/47/26/802644726.db2.gz DFLOWMPAXFENHM-OAHLLOKOSA-N 0 3 286.350 3.151 20 30 CGEDHN CN(C)c1ccc(/C=C/C=NN[C@@H]2CCCSC2)cc1 ZINC001119307074 802647097 /nfs/dbraw/zinc/64/70/97/802647097.db2.gz KIIWXJAGWGBVRH-UPVYUQPKSA-N 0 3 289.448 3.237 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2oc(-c3ccccc3)nc2C)C1 ZINC001119307868 802647111 /nfs/dbraw/zinc/64/71/11/802647111.db2.gz DUJVFOMVTZVKDL-INIZCTEOSA-N 0 3 298.386 3.427 20 30 CGEDHN CN1CCCC[C@@H]1CNc1ncc(C#N)c2ccsc21 ZINC001120883479 802790569 /nfs/dbraw/zinc/79/05/69/802790569.db2.gz DJQFOYSNJONPFX-GFCCVEGCSA-N 0 3 286.404 3.064 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CC1CCCC1 ZINC001123338117 802930607 /nfs/dbraw/zinc/93/06/07/802930607.db2.gz VITFLMLGVGSKBU-OCCSQVGLSA-N 0 3 273.380 3.296 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CC1CCCC1 ZINC001123338114 802931149 /nfs/dbraw/zinc/93/11/49/802931149.db2.gz VITFLMLGVGSKBU-GXTWGEPZSA-N 0 3 273.380 3.296 20 30 CGEDHN CN1CCC(Oc2ccnc(C3=CC[C@H](C#N)CC3)c2)CC1 ZINC001243796353 803015159 /nfs/dbraw/zinc/01/51/59/803015159.db2.gz MDZCJDARRIJIEV-AWEZNQCLSA-N 0 3 297.402 3.262 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCN1C(C)C ZINC001126141630 803084652 /nfs/dbraw/zinc/08/46/52/803084652.db2.gz NNUJRSBFIMDNSV-KRWDZBQOSA-N 0 3 292.467 3.454 20 30 CGEDHN CCCCCCCN1C[C@@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131742771 803339939 /nfs/dbraw/zinc/33/99/39/803339939.db2.gz HFDMRPLNIADJIZ-OLZOCXBDSA-N 0 3 290.398 3.191 20 30 CGEDHN C#CCCN1C[C@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132383947 803399597 /nfs/dbraw/zinc/39/95/97/803399597.db2.gz GNRYOWPIWOQKLF-JKSUJKDBSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCCC1(C(=O)NCCNCc2csc(C)c2)CC1 ZINC001133374577 803471186 /nfs/dbraw/zinc/47/11/86/803471186.db2.gz YDQQQQKBWPMYNZ-UHFFFAOYSA-N 0 3 292.448 3.009 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133391892 803472247 /nfs/dbraw/zinc/47/22/47/803472247.db2.gz XPQDKINRHMSRCL-QGZVFWFLSA-N 0 3 298.446 3.308 20 30 CGEDHN N#Cc1c(Cl)cccc1-c1ccc2c(c1)COC21CNC1 ZINC001244734873 803515348 /nfs/dbraw/zinc/51/53/48/803515348.db2.gz PBFLTSIMFGDENC-UHFFFAOYSA-N 0 3 296.757 3.207 20 30 CGEDHN CCc1cc(-c2cnccc2N2CCOCC2)ccc1C#N ZINC001244951758 803589197 /nfs/dbraw/zinc/58/91/97/803589197.db2.gz DXQPFTFVCNFUPI-UHFFFAOYSA-N 0 3 293.370 3.019 20 30 CGEDHN N#C[C@H]1CCCN(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001137341183 803718949 /nfs/dbraw/zinc/71/89/49/803718949.db2.gz BIJNMIRSQAKGGI-LBPRGKRZSA-N 0 3 271.339 3.433 20 30 CGEDHN CC(C)(C)c1ccc(CN2CCC3SC(=O)C=C3C2)[nH]1 ZINC001137373755 803724881 /nfs/dbraw/zinc/72/48/81/803724881.db2.gz LWXIDBZJTFYOEE-ZDUSSCGKSA-N 0 3 290.432 3.086 20 30 CGEDHN N#CCc1ccccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245424143 803733515 /nfs/dbraw/zinc/73/35/15/803733515.db2.gz KHSKCEODLCRAGE-QGZVFWFLSA-N 0 3 282.387 3.021 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(F)c1F ZINC001137965902 803811676 /nfs/dbraw/zinc/81/16/76/803811676.db2.gz GESMNMXTUJCNLJ-LBPRGKRZSA-N 0 3 295.354 3.047 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)C[C@@H]2CCCCO2)c1[O-] ZINC001138629424 803985292 /nfs/dbraw/zinc/98/52/92/803985292.db2.gz YOILYHTVVBVFFY-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)C[C@@H]2CCCCO2)c1[O-] ZINC001138629424 803985298 /nfs/dbraw/zinc/98/52/98/803985298.db2.gz YOILYHTVVBVFFY-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=C(C)COc1ccccc1CN(CCC)CCOC ZINC001138663159 803997433 /nfs/dbraw/zinc/99/74/33/803997433.db2.gz OVONAGMDHOKJQG-UHFFFAOYSA-N 0 3 277.408 3.500 20 30 CGEDHN O=C1C=C2CN(Cc3ccccc3C3CC3)CCC2S1 ZINC001139881715 804311447 /nfs/dbraw/zinc/31/14/47/804311447.db2.gz VZJHQXWHFYJOOA-MRXNPFEDSA-N 0 3 285.412 3.338 20 30 CGEDHN O=C1C=C2CN(Cc3cc4ccccc4cn3)CCC2S1 ZINC001139996945 804349016 /nfs/dbraw/zinc/34/90/16/804349016.db2.gz VYMQQBVBFVWXQJ-INIZCTEOSA-N 0 3 296.395 3.009 20 30 CGEDHN N#Cc1c(F)cc(CN2C[C@@H]3CCCC[C@H]3C2)cc1F ZINC001140752529 804504516 /nfs/dbraw/zinc/50/45/16/804504516.db2.gz LOBAHUIZZFBXQR-STQMWFEESA-N 0 3 276.330 3.458 20 30 CGEDHN CCCCN(CCC#N)Cc1c[nH]c2ccncc12 ZINC001140803759 804523866 /nfs/dbraw/zinc/52/38/66/804523866.db2.gz VNPREHYGNYWEPM-UHFFFAOYSA-N 0 3 256.353 3.079 20 30 CGEDHN CN(Cc1sc(N)c(C#N)c1Cl)C[C@@H]1CC1(C)C ZINC001141114407 804591740 /nfs/dbraw/zinc/59/17/40/804591740.db2.gz NPQNARNTFMJKJS-QMMMGPOBSA-N 0 3 283.828 3.333 20 30 CGEDHN C=C(CC)C(=O)Nc1cnccc1NC(CC)CC ZINC001141520771 804649752 /nfs/dbraw/zinc/64/97/52/804649752.db2.gz ZRYRZLHMURGYQE-UHFFFAOYSA-N 0 3 261.369 3.009 20 30 CGEDHN CCCN(CCC)[C@@H](C)c1nc(-c2ccc(C#N)cn2)no1 ZINC001247417036 804730308 /nfs/dbraw/zinc/73/03/08/804730308.db2.gz GVCNGCHEPFDNRX-LBPRGKRZSA-N 0 3 299.378 3.186 20 30 CGEDHN C=CCN(Cc1cnc(OC)c(F)c1)C(C)(C)C ZINC001144472667 804992274 /nfs/dbraw/zinc/99/22/74/804992274.db2.gz FHNHTXXQBWAFIJ-UHFFFAOYSA-N 0 3 252.333 3.016 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC[C@H](F)CC3)[nH]c2c1 ZINC001249426457 805147208 /nfs/dbraw/zinc/14/72/08/805147208.db2.gz RNMSHIZAAXRCNZ-AWEZNQCLSA-N 0 3 271.339 3.364 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249525076 805164370 /nfs/dbraw/zinc/16/43/70/805164370.db2.gz XUBRHTDHHQTITM-GFCCVEGCSA-N 0 3 271.339 3.433 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](CC)C(C)(C)C)C2)C1 ZINC001148599224 805198013 /nfs/dbraw/zinc/19/80/13/805198013.db2.gz JZHGYJVSGMBGQB-HNNXBMFYSA-N 0 3 292.467 3.169 20 30 CGEDHN CCN1CCc2ccc(CN3CCC[C@H](CC#N)C3)cc21 ZINC001249664164 805206541 /nfs/dbraw/zinc/20/65/41/805206541.db2.gz AENMBWYWGBOWDP-OAHLLOKOSA-N 0 3 283.419 3.195 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCC(C)(C)C ZINC001152379534 805348443 /nfs/dbraw/zinc/34/84/43/805348443.db2.gz SVVZKEGYWSVRTF-OAHLLOKOSA-N 0 3 280.456 3.053 20 30 CGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H](CC)CCC ZINC001257263606 807077187 /nfs/dbraw/zinc/07/71/87/807077187.db2.gz UOYQCZOFNLHGSZ-HOCLYGCPSA-N 0 3 291.439 3.101 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001166728870 807088808 /nfs/dbraw/zinc/08/88/08/807088808.db2.gz FEBXSLVAMBOVQC-ZDUSSCGKSA-N 0 3 298.858 3.051 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166745814 807090424 /nfs/dbraw/zinc/09/04/24/807090424.db2.gz BVPTZGPFIJLCRF-CYBMUJFWSA-N 0 3 298.858 3.217 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)CC(C)(C)C ZINC001167262360 807172356 /nfs/dbraw/zinc/17/23/56/807172356.db2.gz JCUAJIBLXZXMEV-LBPRGKRZSA-N 0 3 288.863 3.297 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN(CCO)Cc1ccccc1 ZINC001167318006 807180904 /nfs/dbraw/zinc/18/09/04/807180904.db2.gz BHZQTKLLZXPXPP-UHFFFAOYSA-N 0 3 294.398 3.170 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001167340306 807184679 /nfs/dbraw/zinc/18/46/79/807184679.db2.gz XNEGEWDWAKQVHA-UHFFFAOYSA-N 0 3 298.858 3.217 20 30 CGEDHN CCCCC[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001257517013 807189478 /nfs/dbraw/zinc/18/94/78/807189478.db2.gz PVFGSDCDTAOKMN-HNNXBMFYSA-N 0 3 286.423 3.044 20 30 CGEDHN C[C@H](Nc1ccc(CN(C)C)cn1)c1cccc(C#N)c1 ZINC001167707431 807231257 /nfs/dbraw/zinc/23/12/57/807231257.db2.gz VVRDXOPCGKQERY-ZDUSSCGKSA-N 0 3 280.375 3.188 20 30 CGEDHN C=C1C[C@@H]2CC(NC(=N)c3ccc(F)cn3)C[C@H](C1)C2 ZINC001257888217 807238531 /nfs/dbraw/zinc/23/85/31/807238531.db2.gz BWEAMJDDZNHVRU-ONXXMXGDSA-N 0 3 273.355 3.061 20 30 CGEDHN CCCCCCC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001258042957 807272401 /nfs/dbraw/zinc/27/24/01/807272401.db2.gz FLLAJBLTRJOJLJ-KGLIPLIRSA-N 0 3 272.433 3.245 20 30 CGEDHN CCCCCCC[C@@H](C)N1CC[C@@](F)(C(=O)OC)C1 ZINC001258044279 807274041 /nfs/dbraw/zinc/27/40/41/807274041.db2.gz KVGNEXICAZPBHV-HIFRSBDPSA-N 0 3 273.392 3.322 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cc(F)ccc3C2)CCCC1 ZINC001168397191 807403797 /nfs/dbraw/zinc/40/37/97/807403797.db2.gz MNXMYMOUUJYXEG-MRXNPFEDSA-N 0 3 272.367 3.357 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168610106 807456410 /nfs/dbraw/zinc/45/64/10/807456410.db2.gz QCWZGKUHSJTOHX-INMHGKMJSA-N 0 3 288.391 3.197 20 30 CGEDHN CC1(C#N)CCN([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168737600 807499405 /nfs/dbraw/zinc/49/94/05/807499405.db2.gz APMZCRWXVOSIJM-ZDUSSCGKSA-N 0 3 274.795 3.433 20 30 CGEDHN C=CCC[C@@H](C)NCc1cccnc1Br ZINC001258721560 807570011 /nfs/dbraw/zinc/57/00/11/807570011.db2.gz ZJHPYJZUIQPYIW-SNVBAGLBSA-N 0 3 269.186 3.288 20 30 CGEDHN C=CCC[C@H](C)N(CC(=O)OCC)C1CCCC1 ZINC001258732962 807579351 /nfs/dbraw/zinc/57/93/51/807579351.db2.gz FNAJMLJZIUECPM-ZDUSSCGKSA-N 0 3 253.386 3.149 20 30 CGEDHN C=CC[C@@H](C)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001169540951 807660942 /nfs/dbraw/zinc/66/09/42/807660942.db2.gz TUXOROGDXFQPOF-KGLIPLIRSA-N 0 3 264.438 3.391 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H]1COC2(CCCCC2)O1 ZINC001169862315 807717439 /nfs/dbraw/zinc/71/74/39/807717439.db2.gz DNLICXHBNFLPQJ-HUUCEWRRSA-N 0 3 265.397 3.103 20 30 CGEDHN CC1(C)CC(=O)C=C(Nc2c[nH]cc3ccnc2-3)C1 ZINC001169951908 807729096 /nfs/dbraw/zinc/72/90/96/807729096.db2.gz SPWOFEIQUDGDPX-UHFFFAOYSA-N 0 3 255.321 3.248 20 30 CGEDHN CC1(C)CC(NCc2ccccc2C#N)CC(C)(C)N1O ZINC001169973614 807732041 /nfs/dbraw/zinc/73/20/41/807732041.db2.gz QLFNPMSILSTMRE-UHFFFAOYSA-N 0 3 287.407 3.059 20 30 CGEDHN CC(C)(C)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1F ZINC001262045158 807813889 /nfs/dbraw/zinc/81/38/89/807813889.db2.gz HWLRHGCCJGIJKW-CQSZACIVSA-N 0 3 291.370 3.083 20 30 CGEDHN C=CCCCNc1cc(CN2CCCCC2)ccn1 ZINC001170298842 807819583 /nfs/dbraw/zinc/81/95/83/807819583.db2.gz RQWZYSDZSZQCQN-UHFFFAOYSA-N 0 3 259.397 3.446 20 30 CGEDHN C=CCN(CC=C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170347152 807828403 /nfs/dbraw/zinc/82/84/03/807828403.db2.gz QSRZTEYKFFXLPL-ZDUSSCGKSA-N 0 3 290.363 3.208 20 30 CGEDHN CCCCCC[C@H](CC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001170593701 807863853 /nfs/dbraw/zinc/86/38/53/807863853.db2.gz SXXBGRLZRRELHL-IHRRRGAJSA-N 0 3 272.433 3.245 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1cccnc1C ZINC001263166489 807937950 /nfs/dbraw/zinc/93/79/50/807937950.db2.gz IRCWOMXJCDXVLB-MRXNPFEDSA-N 0 3 291.439 3.084 20 30 CGEDHN CC(C)(C)c1ccc(NC(=N)c2ccc(C(N)=O)cc2)cc1 ZINC001171257100 808016839 /nfs/dbraw/zinc/01/68/39/808016839.db2.gz XIAZMQDFYUCSPG-UHFFFAOYSA-N 0 3 295.386 3.120 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)C2CCCCC2)[C@H]1C ZINC001264164667 808043116 /nfs/dbraw/zinc/04/31/16/808043116.db2.gz LPXGCPIKRQQPJI-UXLLHSPISA-N 0 3 292.467 3.358 20 30 CGEDHN CCCN(CCC#N)[C@@H]1CCc2c(C)cccc2C1 ZINC001171569979 808098539 /nfs/dbraw/zinc/09/85/39/808098539.db2.gz DOZXMGOQOMMCAO-MRXNPFEDSA-N 0 3 256.393 3.478 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001265297704 808126636 /nfs/dbraw/zinc/12/66/36/808126636.db2.gz WJJBDWZPNXIDEY-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CCCF)CC1 ZINC001265340249 808133864 /nfs/dbraw/zinc/13/38/64/808133864.db2.gz LDIRBMSHXFVOJX-UHFFFAOYSA-N 0 3 284.419 3.015 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)N[C@@H]1COC(C)(C)C1 ZINC001172278063 808211274 /nfs/dbraw/zinc/21/12/74/808211274.db2.gz QRWIBNHOZSFUKK-KGLIPLIRSA-N 0 3 275.392 3.470 20 30 CGEDHN Cc1ccc(F)c(CN[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172300843 808220976 /nfs/dbraw/zinc/22/09/76/808220976.db2.gz IAFMNCLCBGLDPE-ZDUSSCGKSA-N 0 3 283.350 3.122 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001266481313 808273962 /nfs/dbraw/zinc/27/39/62/808273962.db2.gz OGDAZKWUCMXGOT-OAGGEKHMSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)CCNCc1csc(C)c1 ZINC001266711799 808307911 /nfs/dbraw/zinc/30/79/11/808307911.db2.gz DUKGDHAACHSWRI-UHFFFAOYSA-N 0 3 294.464 3.207 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001267135948 808365588 /nfs/dbraw/zinc/36/55/88/808365588.db2.gz PFRZYFXHQVPZOR-CBBWQLFWSA-N 0 3 298.858 3.050 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(C2(c3ccccc3)CC2)CC1 ZINC001172509938 808365612 /nfs/dbraw/zinc/36/56/12/808365612.db2.gz SRUFCJOFODHLOD-QGZVFWFLSA-N 0 3 297.446 3.376 20 30 CGEDHN C=CCCC(=O)NCCN(C)Cc1ccc(C2CC2)cc1 ZINC001267188951 808378494 /nfs/dbraw/zinc/37/84/94/808378494.db2.gz UPCICKGSWWUUJX-UHFFFAOYSA-N 0 3 286.419 3.078 20 30 CGEDHN C=CCN(C)CCNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001267220200 808385097 /nfs/dbraw/zinc/38/50/97/808385097.db2.gz LQIUMYYWFRBYNS-INIZCTEOSA-N 0 3 280.456 3.217 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC001267350608 808420008 /nfs/dbraw/zinc/42/00/08/808420008.db2.gz GIVSTPFLBJDUBF-FUHWJXTLSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)C[C@@H](C)CC)c1ccccc1 ZINC001267356645 808420105 /nfs/dbraw/zinc/42/01/05/808420105.db2.gz GUSHIAZSRARCAH-DOTOQJQBSA-N 0 3 288.435 3.446 20 30 CGEDHN C=CCN[C@H](CNC(=O)C1CCC=CCC1)c1ccccc1 ZINC001267382221 808422602 /nfs/dbraw/zinc/42/26/02/808422602.db2.gz NECUPMLLWUXLSQ-GOSISDBHSA-N 0 3 298.430 3.366 20 30 CGEDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1(CC#N)CCCC1 ZINC001173224664 808541421 /nfs/dbraw/zinc/54/14/21/808541421.db2.gz GJKDETPIINORQH-ZDUSSCGKSA-N 0 3 287.363 3.342 20 30 CGEDHN CCc1ccc(C[C@@H](C)NCC2(C#N)CCC2)cc1 ZINC001173240167 808547172 /nfs/dbraw/zinc/54/71/72/808547172.db2.gz WCGDHPFVTZLCBN-CQSZACIVSA-N 0 3 256.393 3.463 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1cc(C)c(C)cc1Cl ZINC001268244334 808566797 /nfs/dbraw/zinc/56/67/97/808566797.db2.gz ACFWFRCNRQAWOO-UHFFFAOYSA-N 0 3 294.826 3.147 20 30 CGEDHN C=CCOC1CCC(Nc2cccc(F)c2CN)CC1 ZINC001173311193 808606007 /nfs/dbraw/zinc/60/60/07/808606007.db2.gz IFIFULJMCPHJNY-UHFFFAOYSA-N 0 3 278.371 3.210 20 30 CGEDHN C=CCOC1CCC(N[C@H](C(C)=O)c2ccccc2)CC1 ZINC001173313400 808607434 /nfs/dbraw/zinc/60/74/34/808607434.db2.gz VWKAIAQUFKFCSZ-DAWZGUTISA-N 0 3 287.403 3.420 20 30 CGEDHN C=CCOC1CCC(N[C@H](C)c2nccs2)CC1 ZINC001173315727 808608949 /nfs/dbraw/zinc/60/89/49/808608949.db2.gz QUDKCAAUDLXWMG-PNESKVBLSA-N 0 3 266.410 3.308 20 30 CGEDHN N#CCC1CCC(Nc2cccc(F)c2CN)CC1 ZINC001173325222 808612431 /nfs/dbraw/zinc/61/24/31/808612431.db2.gz DYUXTFPCIXNCHC-UHFFFAOYSA-N 0 3 261.344 3.169 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC ZINC001268922903 808635979 /nfs/dbraw/zinc/63/59/79/808635979.db2.gz XZPQIMDZNMFCOX-JYJNAYRXSA-N 0 3 280.456 3.288 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001269293335 808665667 /nfs/dbraw/zinc/66/56/67/808665667.db2.gz WXDKNSMQYPADAK-KBPBESRZSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001269584423 808690038 /nfs/dbraw/zinc/69/00/38/808690038.db2.gz XEQORYXVHMKGMX-OAGGEKHMSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001269584425 808690161 /nfs/dbraw/zinc/69/01/61/808690161.db2.gz XEQORYXVHMKGMX-XHSDSOJGSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1cc2sccc2s1 ZINC001272048346 808794469 /nfs/dbraw/zinc/79/44/69/808794469.db2.gz DWQULWNBAVONHD-UHFFFAOYSA-N 0 3 294.445 3.153 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)c1ccccc1C ZINC001272178260 808800693 /nfs/dbraw/zinc/80/06/93/808800693.db2.gz FERCCJLZYCPZDB-INIZCTEOSA-N 0 3 288.435 3.065 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCC2CC2)cc1 ZINC001272692715 808820960 /nfs/dbraw/zinc/82/09/60/808820960.db2.gz WVECVDVYPHENOU-HNNXBMFYSA-N 0 3 298.430 3.167 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@](C)(F)CCCC)C(C)(C)C1 ZINC001274436780 808875978 /nfs/dbraw/zinc/87/59/78/808875978.db2.gz PRFVBPOHQHRVEY-RHSMWYFYSA-N 0 3 298.446 3.308 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)CCCCC)C[C@H]1C ZINC001274663028 808881366 /nfs/dbraw/zinc/88/13/66/808881366.db2.gz QUJRNGKPMNWOBA-CVEARBPZSA-N 0 3 292.467 3.195 20 30 CGEDHN CC(C)(C)c1cc(Nc2cc(C#N)c(C#N)cc2N)ccn1 ZINC001213168285 815249851 /nfs/dbraw/zinc/24/98/51/815249851.db2.gz CMRUDXLLXVEVLT-UHFFFAOYSA-N 0 3 291.358 3.448 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001275845975 808971206 /nfs/dbraw/zinc/97/12/06/808971206.db2.gz UMBQVABTPSKCKY-AWEZNQCLSA-N 0 3 292.398 3.119 20 30 CGEDHN C=CCCCCCN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001276041339 808986102 /nfs/dbraw/zinc/98/61/02/808986102.db2.gz WBKRUZVUFPLJNU-HDICACEKSA-N 0 3 292.467 3.060 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001276608949 809020096 /nfs/dbraw/zinc/02/00/96/809020096.db2.gz TXXGZPIBIGCRFA-YJBOKZPZSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCCCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001276916686 809045976 /nfs/dbraw/zinc/04/59/76/809045976.db2.gz USRMEAOHOCGENV-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN Cc1cnccc1Nc1ccc(C#N)cc1OC(F)(F)F ZINC001174537917 809069950 /nfs/dbraw/zinc/06/99/50/809069950.db2.gz VMLNAAAIOLKJOY-UHFFFAOYSA-N 0 3 293.248 3.326 20 30 CGEDHN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001277459595 809075324 /nfs/dbraw/zinc/07/53/24/809075324.db2.gz QSPRTXWWTSWEJK-RDJZCZTQSA-N 0 3 296.430 3.015 20 30 CGEDHN CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)N2CCC#N ZINC001277936239 809107600 /nfs/dbraw/zinc/10/76/00/809107600.db2.gz BZTZXFCNZUJPNN-ZACQAIPSSA-N 0 3 277.456 3.265 20 30 CGEDHN CC#CCN1CCC[C@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001278693328 809152960 /nfs/dbraw/zinc/15/29/60/809152960.db2.gz IJNUOKCJMYTHAI-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1C[C@@H]1C1CCCC1)C(C)C ZINC001278926626 809156889 /nfs/dbraw/zinc/15/68/89/809156889.db2.gz SLSXRJPWJVIVHI-SJORKVTESA-N 0 3 292.467 3.168 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C=C)CC)cc1 ZINC001280354364 809186481 /nfs/dbraw/zinc/18/64/81/809186481.db2.gz OCZHLAZJCUGFQN-HZPDHXFCSA-N 0 3 298.430 3.189 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CC(C)(C)CC ZINC001281716692 809218917 /nfs/dbraw/zinc/21/89/17/809218917.db2.gz ADTSYRSAOXXLLQ-LBPRGKRZSA-N 0 3 274.836 3.050 20 30 CGEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)C1CC1 ZINC001281767666 809220077 /nfs/dbraw/zinc/22/00/77/809220077.db2.gz CMSRDZNRBLEVSP-SFHVURJKSA-N 0 3 298.430 3.078 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C=C)CC ZINC001281906397 809222638 /nfs/dbraw/zinc/22/26/38/809222638.db2.gz WGIVKXKHVGSXTL-LSBZLQRGSA-N 0 3 298.430 3.147 20 30 CGEDHN N#Cc1ccc(C(F)(F)F)c(Nc2ncc[nH]2)c1 ZINC001176085519 809619709 /nfs/dbraw/zinc/61/97/09/809619709.db2.gz QEBCLWQULIFXRB-UHFFFAOYSA-N 0 3 252.199 3.044 20 30 CGEDHN C=CCCCNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001178629037 809880221 /nfs/dbraw/zinc/88/02/21/809880221.db2.gz HOEZPPZNWMERTK-UHFFFAOYSA-N 0 3 287.329 3.294 20 30 CGEDHN C#CC1(NCc2ccc(OCC)c(OC)c2)CCCC1 ZINC001179437159 809920758 /nfs/dbraw/zinc/92/07/58/809920758.db2.gz AWWHMNKOZHEQQA-UHFFFAOYSA-N 0 3 273.376 3.130 20 30 CGEDHN C=CC(C)(C)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC001179759209 809942466 /nfs/dbraw/zinc/94/24/66/809942466.db2.gz VTDASXVSIXGZNT-LLVKDONJSA-N 0 3 261.365 3.073 20 30 CGEDHN CCC[C@H](CNCC1(C#N)CCOCC1)c1ccccc1 ZINC001179780935 809944305 /nfs/dbraw/zinc/94/43/05/809944305.db2.gz ZYELDLOHRUTNNW-QGZVFWFLSA-N 0 3 286.419 3.480 20 30 CGEDHN C=CCN(CC=C)CCSc1ccc(OC)cc1 ZINC001180375421 809996748 /nfs/dbraw/zinc/99/67/48/809996748.db2.gz QRJKXVAUEVVIGO-UHFFFAOYSA-N 0 3 263.406 3.461 20 30 CGEDHN C(#Cc1ccccc1)CNC1CC(Nc2ccccc2)C1 ZINC001183687544 810156941 /nfs/dbraw/zinc/15/69/41/810156941.db2.gz YDNBURYOMFPINI-UHFFFAOYSA-N 0 3 276.383 3.271 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CN(CC=C(C)C)C[C@H]21 ZINC001188885576 810521348 /nfs/dbraw/zinc/52/13/48/810521348.db2.gz QWHPKKKWGRSMDT-YESZJQIVSA-N 0 3 290.451 3.088 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001190354290 810622122 /nfs/dbraw/zinc/62/21/22/810622122.db2.gz HTNHPJYKVIYXLD-CQSZACIVSA-N 0 3 298.858 3.264 20 30 CGEDHN CCN(C[C@@H](C)C#N)C[C@@H]1CCCC12CCOCC2 ZINC001190642781 810641896 /nfs/dbraw/zinc/64/18/96/810641896.db2.gz HRWMNLFPSWJLCI-GJZGRUSLSA-N 0 3 264.413 3.065 20 30 CGEDHN CC(C)[C@H](CC(F)(F)F)NCc1cc(C#N)ccn1 ZINC001193509037 810899668 /nfs/dbraw/zinc/89/96/68/810899668.db2.gz TYSPGTHVCXBVMG-LBPRGKRZSA-N 0 3 271.286 3.020 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCC2CCCCC2)C1 ZINC001193865855 810970049 /nfs/dbraw/zinc/97/00/49/810970049.db2.gz SHYMXBXWLWHBLY-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)CCOc1ccccc1C(C)(C)C ZINC001193914490 810978953 /nfs/dbraw/zinc/97/89/53/810978953.db2.gz UQTUFEJLIFZTIY-MRXNPFEDSA-N 0 3 291.435 3.232 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001194606061 811093526 /nfs/dbraw/zinc/09/35/26/811093526.db2.gz HEBCRLFGTBUYCT-XFHJGTJQSA-N 0 3 298.430 3.117 20 30 CGEDHN C=CCCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001195226118 811229071 /nfs/dbraw/zinc/22/90/71/811229071.db2.gz MZVQKAJLQVWHMJ-GOSISDBHSA-N 0 3 298.430 3.174 20 30 CGEDHN C#CCCN1CCCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC001196574760 811354605 /nfs/dbraw/zinc/35/46/05/811354605.db2.gz RJUIJYWBHXUOQH-KRWDZBQOSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CCCCN(CC)CC(=O)Nc1ccc(C)cc1 ZINC001198457928 811505836 /nfs/dbraw/zinc/50/58/36/811505836.db2.gz OHHFYCPNHWDXOO-UHFFFAOYSA-N 0 3 260.381 3.222 20 30 CGEDHN C#C[C@H](NCc1ccc(CC(C)C)nc1)C(C)(C)C ZINC001206077164 813191986 /nfs/dbraw/zinc/19/19/86/813191986.db2.gz IHJBPAZWGLDWFH-INIZCTEOSA-N 0 3 258.409 3.418 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccccc2C)no1 ZINC001206094313 813198253 /nfs/dbraw/zinc/19/82/53/813198253.db2.gz GOTBWRBRCQLKDC-UHFFFAOYSA-N 0 3 269.348 3.154 20 30 CGEDHN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCCCN1CCN(C)CC1 ZINC001206594933 813368297 /nfs/dbraw/zinc/36/82/97/813368297.db2.gz CUUIUAVZOMCLNO-OKZBNKHCSA-N 0 3 294.483 3.021 20 30 CGEDHN C[C@@H](CN1C[C@@H](CF)[C@H](C(F)(F)F)C1)C(F)(F)F ZINC001208887654 813882772 /nfs/dbraw/zinc/88/27/72/813882772.db2.gz OAONVTRBPOZYFR-XLPZGREQSA-N 0 3 281.215 3.265 20 30 CGEDHN C=CCCCCN1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001209203726 813966991 /nfs/dbraw/zinc/96/69/91/813966991.db2.gz UYKDYPIASOHUHS-LSDHHAIUSA-N 0 3 290.432 3.284 20 30 CGEDHN C#CCCCN(Cc1ccccc1)Cc1ccccn1 ZINC001209260740 813985828 /nfs/dbraw/zinc/98/58/28/813985828.db2.gz DWFXKSQYBVNJBI-UHFFFAOYSA-N 0 3 264.372 3.497 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001211389223 814888525 /nfs/dbraw/zinc/88/85/25/814888525.db2.gz NOZYJIXYOCQPJF-IXDOHACOSA-N 0 3 294.483 3.461 20 30 CGEDHN N#C[C@H]1CNC[C@H]1OCc1cccc(Oc2ccccc2)c1 ZINC001217834275 815973747 /nfs/dbraw/zinc/97/37/47/815973747.db2.gz WFWRVDXDDYRLJH-MAUKXSAKSA-N 0 3 294.354 3.107 20 30 CGEDHN CCCCCCC[C@@H](CC)OC[C@@H]1CNCCO1 ZINC001217890598 815991462 /nfs/dbraw/zinc/99/14/62/815991462.db2.gz JOQOLQJGOXKRKI-CABCVRRESA-N 0 3 257.418 3.131 20 30 CGEDHN N#Cc1c(Cl)cccc1O[C@H]1CNCc2ccccc21 ZINC001218485597 816241257 /nfs/dbraw/zinc/24/12/57/816241257.db2.gz CZRJFJDCFWRWHR-INIZCTEOSA-N 0 3 284.746 3.435 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H](C)C[C@@H](C)CC ZINC001220240410 816285316 /nfs/dbraw/zinc/28/53/16/816285316.db2.gz KSXBZEHBYIRBBV-KKUMJFAQSA-N 0 3 268.445 3.391 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NCC(C)(C)CC1CC1 ZINC001221166870 816306002 /nfs/dbraw/zinc/30/60/02/816306002.db2.gz QOUCQPKJKQOKGH-HNNXBMFYSA-N 0 3 280.456 3.393 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CCC)CCC3)C[C@@H]21 ZINC001223315068 816603076 /nfs/dbraw/zinc/60/30/76/816603076.db2.gz KNLADBKNPOOVPW-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224386741 816791416 /nfs/dbraw/zinc/79/14/16/816791416.db2.gz SJMFKJVETRVIMC-RDJZCZTQSA-N 0 3 298.446 3.165 20 30 CGEDHN C[C@H](c1ccccn1)N1CCC[C@@H](OCC#CC2CC2)C1 ZINC001224849315 816893018 /nfs/dbraw/zinc/89/30/18/816893018.db2.gz BJXJLPKAQDSHPG-NVXWUHKLSA-N 0 3 284.403 3.037 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C(/C)CC ZINC001226058819 817260949 /nfs/dbraw/zinc/26/09/49/817260949.db2.gz LDFUBXDOAVNDGX-IVYWBBSESA-N 0 3 284.831 3.112 20 30 CGEDHN CCN1CCC[C@@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550352 817393931 /nfs/dbraw/zinc/39/39/31/817393931.db2.gz PMVBMMVIKFOJCB-CQSZACIVSA-N 0 3 287.407 3.114 20 30 CGEDHN CCN1CCC[C@@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205077 817590778 /nfs/dbraw/zinc/59/07/78/817590778.db2.gz CGBBXOFAJIYGBR-CYBMUJFWSA-N 0 3 264.756 3.075 20 30 CGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228028520 817789691 /nfs/dbraw/zinc/78/96/91/817789691.db2.gz MRMMGPMXBWOLEM-PUCGFSNJSA-N 0 3 296.842 3.278 20 30 CGEDHN C=C[C@H](Oc1ccc2ccccc2c1CN(C)C)C(=O)OC ZINC001228442727 817907876 /nfs/dbraw/zinc/90/78/76/817907876.db2.gz XELCGEYOGFFUGD-INIZCTEOSA-N 0 3 299.370 3.008 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001231617193 818137793 /nfs/dbraw/zinc/13/77/93/818137793.db2.gz PCGGJNJQLHVZLT-GJZGRUSLSA-N 0 3 270.376 3.189 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H](C#N)CC2)c1 ZINC001231625598 818140632 /nfs/dbraw/zinc/14/06/32/818140632.db2.gz WYYOBWOXODCQJQ-HNNXBMFYSA-N 0 3 270.376 3.377 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@H](Oc3cccnc3)C2)c1 ZINC001231659997 818152224 /nfs/dbraw/zinc/15/22/24/818152224.db2.gz YTQGCDQZABZPKA-IBGZPJMESA-N 0 3 292.382 3.106 20 30 CGEDHN CC(=O)Nc1ccc(CN2CCC[C@H](CC#N)C2)c(C)c1 ZINC001232187051 818271031 /nfs/dbraw/zinc/27/10/31/818271031.db2.gz DDSWPBPFBZYLGX-OAHLLOKOSA-N 0 3 285.391 3.079 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001232481105 818364683 /nfs/dbraw/zinc/36/46/83/818364683.db2.gz UVZQVYGCQKJFDN-GOSISDBHSA-N 0 3 291.398 3.408 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4c3CCCC4)CCC2S1 ZINC001232635065 818406706 /nfs/dbraw/zinc/40/67/06/818406706.db2.gz DLJFHLCWMLOGJT-QGZVFWFLSA-N 0 3 299.439 3.340 20 30 CGEDHN C=C[C@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243297 818814017 /nfs/dbraw/zinc/81/40/17/818814017.db2.gz HJTSTUCOSQCWMG-GFCCVEGCSA-N 0 3 267.344 3.239 20 30 CGEDHN C#C[C@@H](Oc1cccc2c1CCN(C)C2)c1ccccc1 ZINC001234425151 818852953 /nfs/dbraw/zinc/85/29/53/818852953.db2.gz VOPUEZIRMFFGSV-GOSISDBHSA-N 0 3 277.367 3.428 20 30 CGEDHN CC(C)c1c(C#N)cccc1O[C@@H]1CN2CCC1CC2 ZINC001234856594 818936159 /nfs/dbraw/zinc/93/61/59/818936159.db2.gz LMTXWRMFBZVDIK-MRXNPFEDSA-N 0 3 270.376 3.155 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(O)c(OC(F)(F)F)c2)C1 ZINC001235673302 819133682 /nfs/dbraw/zinc/13/36/82/819133682.db2.gz PPQPJHPAPYGHNP-LLVKDONJSA-N 0 3 299.292 3.136 20 30 CGEDHN C[NH+](C)Cc1cccc(-c2ccccc2C=N[O-])c1 ZINC001236427539 819473566 /nfs/dbraw/zinc/47/35/66/819473566.db2.gz ZCGIFFVOPZMFBB-UHFFFAOYSA-N 0 3 254.333 3.223 20 30 CGEDHN COc1ccc(C#N)cc1-c1cncc(CN2CCCC2)c1 ZINC001236546233 819532296 /nfs/dbraw/zinc/53/22/96/819532296.db2.gz CIYMUBODQSFKOT-UHFFFAOYSA-N 0 3 293.370 3.225 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@]1(C)O ZINC001237747333 819834793 /nfs/dbraw/zinc/83/47/93/819834793.db2.gz UMHQSURVMRHSBM-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@@]1(C)O ZINC001237747329 819835181 /nfs/dbraw/zinc/83/51/81/819835181.db2.gz UMHQSURVMRHSBM-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN Cc1cc(CN2CCC(CC#N)CC2)cnc1C1CC1 ZINC001238618830 820063486 /nfs/dbraw/zinc/06/34/86/820063486.db2.gz VPJJUUFSHJIGOI-UHFFFAOYSA-N 0 3 269.392 3.393 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cnc(C3CC3)c(C)c2)C1 ZINC001238629261 820069436 /nfs/dbraw/zinc/06/94/36/820069436.db2.gz WDJOKWSHHCWUOA-AWEZNQCLSA-N 0 3 254.377 3.113 20 30 CGEDHN CCc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1C#N ZINC001238768144 820113657 /nfs/dbraw/zinc/11/36/57/820113657.db2.gz GEESIBAXGLLNLQ-UHFFFAOYSA-N 0 3 280.371 3.458 20 30 CGEDHN CCc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1C#N ZINC001238768144 820113660 /nfs/dbraw/zinc/11/36/60/820113660.db2.gz GEESIBAXGLLNLQ-UHFFFAOYSA-N 0 3 280.371 3.458 20 30 CGEDHN N#Cc1ncc(-c2ccc(F)c(CN3CCCC3)c2)cc1F ZINC001238992138 820185095 /nfs/dbraw/zinc/18/50/95/820185095.db2.gz CWORDKKMWNESDT-UHFFFAOYSA-N 0 3 299.324 3.494 20 30 CGEDHN CN1CC=C(c2ccc(C3(C#N)CCC3)cc2)CC1 ZINC001241322424 821732118 /nfs/dbraw/zinc/73/21/18/821732118.db2.gz NUHKNISHKXWNOX-UHFFFAOYSA-N 0 3 252.361 3.351 20 30 CGEDHN N#Cc1cccc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241499371 821901351 /nfs/dbraw/zinc/90/13/51/821901351.db2.gz AFIRCROTFRWISE-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN Cc1cc(C#N)ccc1-c1cnccc1/C=C/N(C)C ZINC001242476950 823006043 /nfs/dbraw/zinc/00/60/43/823006043.db2.gz VQDYOKOGOPEVHH-VQHVLOKHSA-N 0 3 263.344 3.461 20 30 CGEDHN COCCN(C)Cc1ccnc(-c2cc(C)cc(C#N)c2)c1 ZINC001242478645 823006485 /nfs/dbraw/zinc/00/64/85/823006485.db2.gz IUFPIPADKNRNEH-UHFFFAOYSA-N 0 3 295.386 3.007 20 30 CGEDHN N#Cc1cc(F)ccc1-c1ncccc1CN1CCCC1 ZINC001242582004 823043837 /nfs/dbraw/zinc/04/38/37/823043837.db2.gz KGNGZBZHSXZMOG-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@H](CC)c1ccncc1 ZINC001340218179 936400830 /nfs/dbraw/zinc/40/08/30/936400830.db2.gz ZXBIAQXHNXEBQG-HZPDHXFCSA-N 0 3 289.423 3.065 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCCC)c(F)c1 ZINC001340867993 936417272 /nfs/dbraw/zinc/41/72/72/936417272.db2.gz RJEKNLXOXNZJLX-CQSZACIVSA-N 0 3 294.370 3.237 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H](OC(F)F)C1 ZINC001340988848 936422741 /nfs/dbraw/zinc/42/27/41/936422741.db2.gz DXLPFFQLZNSZHR-CQSZACIVSA-N 0 3 294.345 3.379 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H](OC)CC1 ZINC001342084673 936458382 /nfs/dbraw/zinc/45/83/82/936458382.db2.gz FERROFUDTBYMMH-JKSUJKDBSA-N 0 3 298.471 3.092 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC001342734087 936476930 /nfs/dbraw/zinc/47/69/30/936476930.db2.gz RMCQBMORSSOMDZ-PWSUYJOCSA-N 0 3 271.307 3.140 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCC=CCCC1 ZINC001345643283 936819117 /nfs/dbraw/zinc/81/91/17/936819117.db2.gz PKUFIXDVODNIAQ-ZIAGYGMSSA-N 0 3 271.364 3.216 20 30 CGEDHN N#CC[C@@]1(O)CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC001346043078 936835389 /nfs/dbraw/zinc/83/53/89/936835389.db2.gz GISHTCMRHMLYIH-QGZVFWFLSA-N 0 3 298.411 3.266 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001346537570 936851654 /nfs/dbraw/zinc/85/16/54/936851654.db2.gz MXEPTSOAWDFEDQ-HNNXBMFYSA-N 0 3 295.386 3.137 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC1CCCCCC1 ZINC001347339736 936879992 /nfs/dbraw/zinc/87/99/92/936879992.db2.gz ZDOQHPCIIWBBIT-CQSZACIVSA-N 0 3 273.380 3.440 20 30 CGEDHN C=C[C@H](COC)NCc1cc(Br)c(C)s1 ZINC001352175153 937038554 /nfs/dbraw/zinc/03/85/54/937038554.db2.gz HTXKTAUEFKVHHM-SECBINFHSA-N 0 3 290.226 3.110 20 30 CGEDHN COc1ccccc1C1(NCC2(CC#N)CC2)CCC1 ZINC001352891124 937053323 /nfs/dbraw/zinc/05/33/23/937053323.db2.gz ZLSTUEIATBFQNP-UHFFFAOYSA-N 0 3 270.376 3.358 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NC[C@@]1(C)CC1(F)F ZINC001354274554 937097440 /nfs/dbraw/zinc/09/74/40/937097440.db2.gz VULLTTSSGSLBLL-GXTWGEPZSA-N 0 3 290.398 3.226 20 30 CGEDHN C=CCN(CCNC(=O)c1cccc(C(F)F)c1)C1CC1 ZINC001481193733 926906176 /nfs/dbraw/zinc/90/61/76/926906176.db2.gz GCIYBYCCXKKLFL-UHFFFAOYSA-N 0 3 294.345 3.004 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](F)C(C)C)c1ccccc1 ZINC001481369928 926970112 /nfs/dbraw/zinc/97/01/12/926970112.db2.gz UESZKAURCJVANI-CVEARBPZSA-N 0 3 292.398 3.004 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001481705596 927067356 /nfs/dbraw/zinc/06/73/56/927067356.db2.gz DGBXPXDVWCZHEO-QGZVFWFLSA-N 0 3 286.419 3.042 20 30 CGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001481778434 927086118 /nfs/dbraw/zinc/08/61/18/927086118.db2.gz MTYBFNBPVJZNCE-IAGOWNOFSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)CCC1CCCCCC1 ZINC001483364232 927491178 /nfs/dbraw/zinc/49/11/78/927491178.db2.gz PQHRNQQLQPEALO-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001483692933 927578400 /nfs/dbraw/zinc/57/84/00/927578400.db2.gz BOWGURDSGCRVGR-IRXDYDNUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001484044744 927667041 /nfs/dbraw/zinc/66/70/41/927667041.db2.gz LNFDKGXDSIWCCB-GOSISDBHSA-N 0 3 286.419 3.124 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(F)(F)CC1 ZINC001357938849 937183936 /nfs/dbraw/zinc/18/39/36/937183936.db2.gz NMCTUYPCOCNDSD-CYBMUJFWSA-N 0 3 290.398 3.322 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC001484563188 927721734 /nfs/dbraw/zinc/72/17/34/927721734.db2.gz KVVSKIIOACXLPI-AWEZNQCLSA-N 0 3 286.419 3.023 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001484722392 927747482 /nfs/dbraw/zinc/74/74/82/927747482.db2.gz VEVRJTHZOOVAJF-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H](C)CC)cc2C1 ZINC001484875119 927763605 /nfs/dbraw/zinc/76/36/05/927763605.db2.gz UYQUXBVNWFCPQE-CQSZACIVSA-N 0 3 286.419 3.241 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C(C)(C)C1 ZINC001484935888 927774942 /nfs/dbraw/zinc/77/49/42/927774942.db2.gz BMISWAZJTVARIP-GOEBONIOSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(-c2ccccc2)o1 ZINC001485352976 927853404 /nfs/dbraw/zinc/85/34/04/927853404.db2.gz ANUHEQKKYSPJNW-CQSZACIVSA-N 0 3 298.386 3.183 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCN(C[C@H](F)CC)CC(C)(C)C1 ZINC001489343663 928328797 /nfs/dbraw/zinc/32/87/97/928328797.db2.gz IPOLYQLKEFILEU-HUUCEWRRSA-N 0 3 298.446 3.308 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(OC)c(C(C)(C)C)c1 ZINC001560793747 937237475 /nfs/dbraw/zinc/23/74/75/937237475.db2.gz YVQBRRJIGUHYEQ-ZDUSSCGKSA-N 0 3 259.393 3.446 20 30 CGEDHN CC#CCN(C)CCCNC(=O)[C@@H](CC)CC1CCCC1 ZINC001490255407 928337821 /nfs/dbraw/zinc/33/78/21/928337821.db2.gz BOGNEBUKICTIEX-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001490289443 928341637 /nfs/dbraw/zinc/34/16/37/928341637.db2.gz QKHDSRUSMNSODX-DZGCQCFKSA-N 0 3 298.858 3.288 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001490547821 928368011 /nfs/dbraw/zinc/36/80/11/928368011.db2.gz HEJQKSYRFSBXHT-NVXWUHKLSA-N 0 3 286.419 3.294 20 30 CGEDHN C=CC[C@H](C)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC001459768244 937499685 /nfs/dbraw/zinc/49/96/85/937499685.db2.gz GARVVGJSFMMOLR-YOEHRIQHSA-N 0 3 257.377 3.125 20 30 CGEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC001460195700 937520001 /nfs/dbraw/zinc/52/00/01/937520001.db2.gz INOPLVVUEXCMEI-MRXNPFEDSA-N 0 3 294.439 3.476 20 30 CGEDHN C=CCN(CCSc1cccc(OC)c1)[C@@H](C)COC ZINC001460405998 937530397 /nfs/dbraw/zinc/53/03/97/937530397.db2.gz AUPCSCMJRYHMFA-AWEZNQCLSA-N 0 3 295.448 3.310 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@H]4C[C@H]43)c2c1 ZINC001140117187 931955831 /nfs/dbraw/zinc/95/58/31/931955831.db2.gz NFRBXVNWSKXEPA-BLLLJJGKSA-N 0 3 251.333 3.024 20 30 CGEDHN C=CCCCN(CC)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC001460899942 937551668 /nfs/dbraw/zinc/55/16/68/937551668.db2.gz LKPXLEVXYDVRBZ-KRWDZBQOSA-N 0 3 286.419 3.294 20 30 CGEDHN CC(C)N1CC[C@@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229249939 932123430 /nfs/dbraw/zinc/12/34/30/932123430.db2.gz CRNPDDVMYHIADW-GFCCVEGCSA-N 0 3 264.756 3.073 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccccc1C ZINC001230651778 932604154 /nfs/dbraw/zinc/60/41/54/932604154.db2.gz QYOFWOJFHZIEJZ-INIZCTEOSA-N 0 3 286.419 3.108 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230803093 932626282 /nfs/dbraw/zinc/62/62/82/932626282.db2.gz UQDZFMOGAOSRDL-OAHLLOKOSA-N 0 3 268.445 3.146 20 30 CGEDHN C=CC(C)(C)CNCc1sc(N(C)C)nc1Cl ZINC001462248507 937627657 /nfs/dbraw/zinc/62/76/57/937627657.db2.gz LBQGYJQYIMIXKV-UHFFFAOYSA-N 0 3 273.833 3.164 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H](NC[C@@H](F)CC)C2)CCCC1 ZINC001491775296 932789794 /nfs/dbraw/zinc/78/97/94/932789794.db2.gz VWNTUGIINQYELC-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001492432809 932817142 /nfs/dbraw/zinc/81/71/42/932817142.db2.gz VFQNAUSALBBCBC-CQSZACIVSA-N 0 3 268.445 3.073 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001317471794 932963656 /nfs/dbraw/zinc/96/36/56/932963656.db2.gz PIYXGQKRXYLKQW-HNNXBMFYSA-N 0 3 288.435 3.438 20 30 CGEDHN C#CCN(CCCC1CCCCC1)C1CSC1 ZINC001307919510 933019781 /nfs/dbraw/zinc/01/97/81/933019781.db2.gz WVPAHFPYJOABCW-UHFFFAOYSA-N 0 3 251.439 3.398 20 30 CGEDHN C=CC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC001307915784 933020699 /nfs/dbraw/zinc/02/06/99/933020699.db2.gz XFRIJTNYSXNMAK-MRXNPFEDSA-N 0 3 257.352 3.465 20 30 CGEDHN C=C(C)CCN1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC001307958905 933027325 /nfs/dbraw/zinc/02/73/25/933027325.db2.gz VFOZGSYJBZOXPZ-HNNXBMFYSA-N 0 3 253.386 3.149 20 30 CGEDHN C#Cc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1 ZINC001308409956 933106864 /nfs/dbraw/zinc/10/68/64/933106864.db2.gz ISCYMFCGXQVHEY-AWEZNQCLSA-N 0 3 277.367 3.281 20 30 CGEDHN COc1ccc2c(c1)[C@H](N[C@H](C)CC(C)(C)C#N)CCO2 ZINC001308662110 933152592 /nfs/dbraw/zinc/15/25/92/933152592.db2.gz BYDOHGFMVRFHDL-IUODEOHRSA-N 0 3 288.391 3.437 20 30 CGEDHN C[C@H](NCc1ccc(O)c(F)c1F)c1cccc(C#N)c1 ZINC001308939077 933207005 /nfs/dbraw/zinc/20/70/05/933207005.db2.gz SSBWHIWUNHBTOD-JTQLQIEISA-N 0 3 288.297 3.393 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C1=CCCCCC1 ZINC001316803402 933482204 /nfs/dbraw/zinc/48/22/04/933482204.db2.gz NPIVAHDUNYTOQY-KRWDZBQOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2)C1 ZINC001316939078 933499827 /nfs/dbraw/zinc/49/98/27/933499827.db2.gz AYFKEVUBUYJIHR-NVXWUHKLSA-N 0 3 286.419 3.294 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001317046114 933521282 /nfs/dbraw/zinc/52/12/82/933521282.db2.gz UYLMZSNASRYJMY-CAOSSQGBSA-N 0 3 290.451 3.062 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC001465308383 937700078 /nfs/dbraw/zinc/70/00/78/937700078.db2.gz FUMCYXQHGQNZQW-AWEZNQCLSA-N 0 3 266.429 3.064 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001317245438 933562798 /nfs/dbraw/zinc/56/27/98/933562798.db2.gz PNGXYJNGBOQDKO-CQSZACIVSA-N 0 3 292.398 3.085 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C1(CC=C)CCC1)c1ccccc1 ZINC001317723400 933638215 /nfs/dbraw/zinc/63/82/15/933638215.db2.gz GNRSATAQNZKUQY-KRWDZBQOSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCCC)CCC1 ZINC001318216984 933696471 /nfs/dbraw/zinc/69/64/71/933696471.db2.gz WSPRJVHWHFRJGZ-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C[C@H](COC)NCc1cccc(-c2ccccn2)c1 ZINC001320299614 934027596 /nfs/dbraw/zinc/02/75/96/934027596.db2.gz SYSJFGOOAZJJEK-MRXNPFEDSA-N 0 3 268.360 3.039 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1cccc2ccccc21 ZINC001322285554 934271980 /nfs/dbraw/zinc/27/19/80/934271980.db2.gz NRXSLNPZTGKRIT-HNNXBMFYSA-N 0 3 296.414 3.005 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001470970718 937760135 /nfs/dbraw/zinc/76/01/35/937760135.db2.gz XQHIRBFRERQRKM-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001323272255 934379350 /nfs/dbraw/zinc/37/93/50/934379350.db2.gz GWYJLWYSEPPVPZ-JFIYKMOQSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C[C@@H](COC)NC/C(C)=C/c1ccccc1OC(F)F ZINC001324159420 934468074 /nfs/dbraw/zinc/46/80/74/934468074.db2.gz XUPIUEQOPXHXIL-TZIYXEQSSA-N 0 3 297.345 3.482 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001324656962 934541864 /nfs/dbraw/zinc/54/18/64/934541864.db2.gz OXYQPKAUNBYVRE-AEFFLSMTSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc(C(C)C)nc2C)C1 ZINC001324941893 934875677 /nfs/dbraw/zinc/87/56/77/934875677.db2.gz WFGSXZHHRXWJNZ-MRXNPFEDSA-N 0 3 274.408 3.290 20 30 CGEDHN C=C[C@H](COC)NCc1cc2ccccc2c(OC)c1 ZINC001325118630 934887497 /nfs/dbraw/zinc/88/74/97/934887497.db2.gz WHJGHNKWIRYSNL-OAHLLOKOSA-N 0 3 271.360 3.139 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC(C)C ZINC001325923145 934939242 /nfs/dbraw/zinc/93/92/42/934939242.db2.gz VGXGZPZXLXSVLD-HOTGVXAUSA-N 0 3 292.467 3.310 20 30 CGEDHN CCCCCCCN1CCN(c2cncc(OC)c2)CC1 ZINC001473719238 937818734 /nfs/dbraw/zinc/81/87/34/937818734.db2.gz VGRCJJNURPTRBF-UHFFFAOYSA-N 0 3 291.439 3.183 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(C2CC2)c1 ZINC001328799591 935169675 /nfs/dbraw/zinc/16/96/75/935169675.db2.gz XNWWOQPPRJONDM-GOSISDBHSA-N 0 3 298.430 3.286 20 30 CGEDHN C#CCN(C/C=C\c1ccc(F)c(F)c1)CC1CC1 ZINC001329755218 935244630 /nfs/dbraw/zinc/24/46/30/935244630.db2.gz KTMVQSHFPJHQOB-ARJAWSKDSA-N 0 3 261.315 3.323 20 30 CGEDHN Cc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1C#N ZINC001331397186 935377178 /nfs/dbraw/zinc/37/71/78/935377178.db2.gz RRBIALQEBYAVFR-OAHLLOKOSA-N 0 3 276.330 3.488 20 30 CGEDHN COc1cc(C)cc(CN2CCC(CC#N)CC2)c1OC ZINC001332705251 935482851 /nfs/dbraw/zinc/48/28/51/935482851.db2.gz LONNXKAHLYDTJE-UHFFFAOYSA-N 0 3 288.391 3.138 20 30 CGEDHN C#CCCN(C)CCN(C(=O)C(C)=C1CCCC1)C(C)C ZINC001332697678 935482920 /nfs/dbraw/zinc/48/29/20/935482920.db2.gz BYWSVPRLGXNHLM-UHFFFAOYSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1c(C)coc1C)C(C)C ZINC001332700564 935483239 /nfs/dbraw/zinc/48/32/39/935483239.db2.gz WWFXAQKPURCDRU-UHFFFAOYSA-N 0 3 292.423 3.255 20 30 CGEDHN C#CCOCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC001333571606 935548211 /nfs/dbraw/zinc/54/82/11/935548211.db2.gz JMRCYDYBZSRWGO-HNNXBMFYSA-N 0 3 263.768 3.127 20 30 CGEDHN C#C[C@@H](NCCCC(F)(F)F)c1ccc(F)cc1 ZINC001333766055 936064532 /nfs/dbraw/zinc/06/45/32/936064532.db2.gz ZVBGZPVJYGCPQR-GFCCVEGCSA-N 0 3 259.246 3.432 20 30 CGEDHN C=CCCC[C@H](NC(=O)[C@@H](N)CC1CC1)c1ccccc1 ZINC001337069704 936235498 /nfs/dbraw/zinc/23/54/98/936235498.db2.gz YJHVLWNOAJCMLV-IRXDYDNUSA-N 0 3 286.419 3.328 20 30 CGEDHN CCCCCCCCC[NH+]1CCC(Cc2nnn[n-]2)CC1 ZINC001473764859 937821415 /nfs/dbraw/zinc/82/14/15/937821415.db2.gz WBKKMLJRJJXPRD-UHFFFAOYSA-N 0 3 293.459 3.205 20 30 CGEDHN CCCCCCCCC[NH+]1CCC(Cc2nn[n-]n2)CC1 ZINC001473764859 937821417 /nfs/dbraw/zinc/82/14/17/937821417.db2.gz WBKKMLJRJJXPRD-UHFFFAOYSA-N 0 3 293.459 3.205 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(CC=C)CCCC1 ZINC001479276028 937919012 /nfs/dbraw/zinc/91/90/12/937919012.db2.gz STVGNSZQQUTVRN-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C1CCCC1 ZINC001479738858 937924866 /nfs/dbraw/zinc/92/48/66/937924866.db2.gz LHVMEABNWRRHKT-RDJZCZTQSA-N 0 3 292.467 3.312 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)[C@H]1CCC[C@H]1CCC ZINC001493300749 937948934 /nfs/dbraw/zinc/94/89/34/937948934.db2.gz RXPHMHMKSGTSFT-SJORKVTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001494870005 937956882 /nfs/dbraw/zinc/95/68/82/937956882.db2.gz XTAYXCPJMOCTQM-FUHWJXTLSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001496384683 937962315 /nfs/dbraw/zinc/96/23/15/937962315.db2.gz AHLCFLFLSFAPTL-HVCHUGMYSA-N 0 3 298.858 3.456 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)CC(C)C ZINC001496819680 937964212 /nfs/dbraw/zinc/96/42/12/937964212.db2.gz SPMCFZHWEASJRP-OAHLLOKOSA-N 0 3 268.445 3.025 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001499036544 937972168 /nfs/dbraw/zinc/97/21/68/937972168.db2.gz FLRLYOHFJFBLGJ-HNNXBMFYSA-N 0 3 280.456 3.338 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@H](CC)C(C)C)[C@@H]2C1 ZINC001501427600 937979588 /nfs/dbraw/zinc/97/95/88/937979588.db2.gz UJJXNXNBRQFEHH-YESZJQIVSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001501528801 937979759 /nfs/dbraw/zinc/97/97/59/937979759.db2.gz ZDQBDEIRRDGQMA-HNNXBMFYSA-N 0 3 298.858 3.147 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H](C)CCC)C1 ZINC001505486285 937985699 /nfs/dbraw/zinc/98/56/99/937985699.db2.gz OQFNKSKRKFEBOB-XGNXJENSSA-N 0 3 286.847 3.050 20 30 CGEDHN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001518065717 938014130 /nfs/dbraw/zinc/01/41/30/938014130.db2.gz QELGMYVAVQNIHR-GMTAPVOTSA-N 0 3 278.302 3.218 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC001521379107 938031660 /nfs/dbraw/zinc/03/16/60/938031660.db2.gz GCOOZCNQTQCAIZ-CQSZACIVSA-N 0 3 288.391 3.022 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC1(c2ccccc2F)CCC1 ZINC001521758554 938034131 /nfs/dbraw/zinc/03/41/31/938034131.db2.gz MINGMDLOIWQBPZ-OAHLLOKOSA-N 0 3 290.382 3.005 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCCCC1(C)C ZINC001526593681 938056644 /nfs/dbraw/zinc/05/66/44/938056644.db2.gz IUAWGSFGVMHALV-CHWSQXEVSA-N 0 3 273.380 3.296 20 30 CGEDHN CC1(C)CCC[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001527021101 938059891 /nfs/dbraw/zinc/05/98/91/938059891.db2.gz YJDSYPQCTGMOKO-MNOVXSKESA-N 0 3 278.302 3.362 20 30 CGEDHN CC(C)(C(=O)C(C#N)c1ncc(F)cc1F)C1CCC1 ZINC001527019146 938059936 /nfs/dbraw/zinc/05/99/36/938059936.db2.gz IQWLQWWYEPSSSF-NSHDSACASA-N 0 3 278.302 3.362 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC001559554937 938229555 /nfs/dbraw/zinc/22/95/55/938229555.db2.gz OATFDMRBXLIFDJ-YQQAZPJKSA-N 0 3 287.403 3.291 20 30 CGEDHN C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCCC1 ZINC001559738318 938233896 /nfs/dbraw/zinc/23/38/96/938233896.db2.gz AUMFAHMDVVTUQG-DYVFJYSZSA-N 0 3 299.418 3.033 20 30 CGEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(Cl)cc1C#N ZINC001559835515 938237055 /nfs/dbraw/zinc/23/70/55/938237055.db2.gz MRYIASXSMSFYCF-INIZCTEOSA-N 0 3 291.826 3.128 20 30 CGEDHN C=CCCCCCN1CCN(c2cccc(F)n2)CC1 ZINC001559853541 938237330 /nfs/dbraw/zinc/23/73/30/938237330.db2.gz DIFCYAPSLYPAJH-UHFFFAOYSA-N 0 3 277.387 3.089 20 30 CGEDHN Cc1cc(C)c2c(c1)CCN(CC1(CC#N)CC1)C2 ZINC001560241804 938248838 /nfs/dbraw/zinc/24/88/38/938248838.db2.gz XURIPYCLYGWRSD-UHFFFAOYSA-N 0 3 254.377 3.355 20 30 CGEDHN C#Cc1cccc(CNCc2cnc3ccc(Cl)cn23)c1 ZINC001560503383 938260775 /nfs/dbraw/zinc/26/07/75/938260775.db2.gz KYJDCNVSDGLRNA-UHFFFAOYSA-N 0 3 295.773 3.259 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](NCC#Cc2ccccc2)C1(C)C ZINC001560737102 938273091 /nfs/dbraw/zinc/27/30/91/938273091.db2.gz SFLGZFUIWGVWML-DLBZAZTESA-N 0 3 271.404 3.220 20 30 CGEDHN C=CCN(CCOC)Cc1cccc(Cl)c1C ZINC001560807748 938277004 /nfs/dbraw/zinc/27/70/04/938277004.db2.gz NSIRVZWAYWOMLO-UHFFFAOYSA-N 0 3 253.773 3.283 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccnn2-c2ccccc2C)C1 ZINC001560901195 938282893 /nfs/dbraw/zinc/28/28/93/938282893.db2.gz NMIVIJDVACJQJW-QGZVFWFLSA-N 0 3 293.414 3.416 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)C2CC2)CC1 ZINC001566697381 960569287 /nfs/dbraw/zinc/56/92/87/960569287.db2.gz XOUKJWYUGMRGGE-HNNXBMFYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CCCCC(C)C)[C@H]1CC ZINC001566024708 960870279 /nfs/dbraw/zinc/87/02/79/960870279.db2.gz QHPPGFNSDHFBSG-JKSUJKDBSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(CC=C(C)C)[C@@H]1C ZINC001566090697 960885737 /nfs/dbraw/zinc/88/57/37/960885737.db2.gz YRLYRSPIYSQFRV-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001566524649 960948565 /nfs/dbraw/zinc/94/85/65/960948565.db2.gz OHBRXNCFWIWBFB-TZMCWYRMSA-N 0 3 296.798 3.005 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNC[C@@H](F)CC ZINC001566939949 961060704 /nfs/dbraw/zinc/06/07/04/961060704.db2.gz SBQFZDHZFDTFKD-GJZGRUSLSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1cc(C)c(Cl)cc1C ZINC001567296477 961269432 /nfs/dbraw/zinc/26/94/32/961269432.db2.gz LPZPPPPZBWPOLD-UHFFFAOYSA-N 0 3 294.826 3.195 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)CCC1CCCCC1 ZINC001567433319 961344912 /nfs/dbraw/zinc/34/49/12/961344912.db2.gz XHVLXSKLQTXKRN-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN C=CCCC(=O)N(CCC)[C@H]1CCN(CC=C(C)C)C1 ZINC001567681308 961396584 /nfs/dbraw/zinc/39/65/84/961396584.db2.gz OYCYBBGUHHAPDC-INIZCTEOSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001569328591 961738135 /nfs/dbraw/zinc/73/81/35/961738135.db2.gz QKNMBKPZLGHCOC-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001569383807 961757474 /nfs/dbraw/zinc/75/74/74/961757474.db2.gz XZVVTTCWFXKLNA-FUHWJXTLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H]2CNC[C@H](F)CC)CCC1 ZINC001569554299 961796440 /nfs/dbraw/zinc/79/64/40/961796440.db2.gz MGHZQSWZXUTIAS-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001569657288 961820899 /nfs/dbraw/zinc/82/08/99/961820899.db2.gz WMJIUBGYLJEEDS-SFHVURJKSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1ccco1)c1ccccc1CC ZINC001569800978 961845021 /nfs/dbraw/zinc/84/50/21/961845021.db2.gz XMHJEVGMWACKPZ-INIZCTEOSA-N 0 3 298.386 3.089 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001571617050 962198252 /nfs/dbraw/zinc/19/82/52/962198252.db2.gz SSWMMCLFUAHBSZ-FVQHAEBGSA-N 0 3 294.483 3.414 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)C1CCCCC1 ZINC001574872902 962321022 /nfs/dbraw/zinc/32/10/22/962321022.db2.gz WEZHXPYBHGMXKG-AWEZNQCLSA-N 0 3 266.429 3.003 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc2ccccc2c1 ZINC001574908212 962336175 /nfs/dbraw/zinc/33/61/75/962336175.db2.gz HSYBPBLZJAOZAP-SFHVURJKSA-N 0 3 296.414 3.182 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCCCC1 ZINC001577426013 962544291 /nfs/dbraw/zinc/54/42/91/962544291.db2.gz FBZRMBHGYUHQEE-AWEZNQCLSA-N 0 3 254.418 3.077 20 30 CGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)C1CCCCC1 ZINC001584967995 962973303 /nfs/dbraw/zinc/97/33/03/962973303.db2.gz NAXIORNKPHXTPY-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(CNCc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000589646260 346806914 /nfs/dbraw/zinc/80/69/14/346806914.db2.gz SOBGFUWOIVFOJF-UHFFFAOYSA-N 0 3 263.344 3.366 20 30 CGEDHN C=C(CNCc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000589646260 346806915 /nfs/dbraw/zinc/80/69/15/346806915.db2.gz SOBGFUWOIVFOJF-UHFFFAOYSA-N 0 3 263.344 3.366 20 30 CGEDHN N#CCCCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000589703646 346809308 /nfs/dbraw/zinc/80/93/08/346809308.db2.gz PYZNMHHYADPZHS-KRWDZBQOSA-N 0 3 299.418 3.024 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000127769206 187331864 /nfs/dbraw/zinc/33/18/64/187331864.db2.gz VEKDRDMDUCWTGH-KFWWJZLASA-N 0 3 299.418 3.253 20 30 CGEDHN CN(CCNc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000337651152 214197455 /nfs/dbraw/zinc/19/74/55/214197455.db2.gz LNCWFGSCEHLTMJ-UHFFFAOYSA-N 0 3 283.350 3.241 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)CC2(C#N)CC2)c1 ZINC000590152528 346831957 /nfs/dbraw/zinc/83/19/57/346831957.db2.gz NKTNJPXDCYXZLP-UHFFFAOYSA-N 0 3 285.391 3.161 20 30 CGEDHN N#CCCOCCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000590166158 346834191 /nfs/dbraw/zinc/83/41/91/346834191.db2.gz ZAPBGZZCJQHSJF-INIZCTEOSA-N 0 3 297.402 3.278 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(C2CC2)CC1 ZINC000590429459 346846188 /nfs/dbraw/zinc/84/61/88/346846188.db2.gz OEMPGQKDCAKZCW-GOSISDBHSA-N 0 3 296.414 3.408 20 30 CGEDHN C[C@@H](N[C@H](CO)CC1CCCC1)c1ccc(C#N)cc1F ZINC000338024159 214366349 /nfs/dbraw/zinc/36/63/49/214366349.db2.gz WNWOBKVTFCTPHU-DOMZBBRYSA-N 0 3 290.382 3.289 20 30 CGEDHN CCCCO[C@H]1C[C@@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590739101 346870875 /nfs/dbraw/zinc/87/08/75/346870875.db2.gz GNBUHKITQCOKOO-CVEARBPZSA-N 0 3 287.407 3.027 20 30 CGEDHN CC(C)N(Cc1ccnc(C#N)c1)C1CC(C)(C)C1 ZINC000590765776 346873172 /nfs/dbraw/zinc/87/31/72/346873172.db2.gz GKYIYAFWJFKXFU-UHFFFAOYSA-N 0 3 257.381 3.352 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](C3CCC3)C2)c(F)c1 ZINC000591061859 346897612 /nfs/dbraw/zinc/89/76/12/346897612.db2.gz KZAOAMYOIDUOMB-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623237154 349770703 /nfs/dbraw/zinc/77/07/03/349770703.db2.gz RVUWIDOJKJDFGP-WMLDXEAASA-N 0 3 286.419 3.424 20 30 CGEDHN C=CCOc1c(Cl)cc(CNC[C@@H](C)OC)cc1OC ZINC000623503897 349822347 /nfs/dbraw/zinc/82/23/47/349822347.db2.gz RSCXCDDDNCWVRN-LLVKDONJSA-N 0 3 299.798 3.038 20 30 CGEDHN CN1CC[C@H](NCc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000366989017 529806732 /nfs/dbraw/zinc/80/67/32/529806732.db2.gz VQNFAQCWGJVNAM-RBUKOAKNSA-N 0 3 291.398 3.093 20 30 CGEDHN C[C@H](c1ccc(C(C)(C)C)cc1)N1CC[C@](O)(CC#N)C1 ZINC000592151839 346967698 /nfs/dbraw/zinc/96/76/98/346967698.db2.gz RSDVIQVELOOVJU-RDTXWAMCSA-N 0 3 286.419 3.396 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592160307 346967742 /nfs/dbraw/zinc/96/77/42/346967742.db2.gz SOWLERVXDSSUHS-CQSZACIVSA-N 0 3 279.424 3.232 20 30 CGEDHN C[C@H]1CC2(CN1Cc1ccc(C#N)c(F)c1)CCOCC2 ZINC000592182551 346970606 /nfs/dbraw/zinc/97/06/06/346970606.db2.gz DCSVOEKLFRRJIG-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NC2(c3ccccc3F)CCC2)C1 ZINC000592397284 346984058 /nfs/dbraw/zinc/98/40/58/346984058.db2.gz SRVHXNXKKGSEAH-CHWSQXEVSA-N 0 3 258.340 3.487 20 30 CGEDHN CN1CCN(CCCC(C)(C)C#N)[C@@H](Cc2ccccc2)C1 ZINC000593090872 347038463 /nfs/dbraw/zinc/03/84/63/347038463.db2.gz YUZHYTMOYQBYGH-SFHVURJKSA-N 0 3 299.462 3.175 20 30 CGEDHN N#Cc1ccc(N[C@@H]2CCN(C3CC3)C2)cc1C(F)(F)F ZINC000044679002 345014736 /nfs/dbraw/zinc/01/47/36/345014736.db2.gz JPZDSFUHSKBEMR-GFCCVEGCSA-N 0 3 295.308 3.226 20 30 CGEDHN N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCN(C2CC2)C1 ZINC000044679005 345015161 /nfs/dbraw/zinc/01/51/61/345015161.db2.gz ONTTXACZFVFALL-LBPRGKRZSA-N 0 3 295.308 3.226 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@H](CC(C)C)N(C)C)c1 ZINC000273240037 192084895 /nfs/dbraw/zinc/08/48/95/192084895.db2.gz TYXMXTINMUUWCL-INIZCTEOSA-N 0 3 287.407 3.149 20 30 CGEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)C1CCCC1 ZINC000047966734 345057997 /nfs/dbraw/zinc/05/79/97/345057997.db2.gz BEZJAGMUJZXTHJ-UHFFFAOYSA-N 0 3 299.418 3.198 20 30 CGEDHN CC(C)CN(CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000051735226 345091972 /nfs/dbraw/zinc/09/19/72/345091972.db2.gz STXAOEFSZROJRY-UHFFFAOYSA-N 0 3 299.418 3.054 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncccc2C#N)C1 ZINC000053580505 345122903 /nfs/dbraw/zinc/12/29/03/345122903.db2.gz XAVPLHUWTMQWOX-YOEHRIQHSA-N 0 3 292.386 3.201 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000054993322 345142105 /nfs/dbraw/zinc/14/21/05/345142105.db2.gz NOPWOEKXUMBMCY-QGZVFWFLSA-N 0 3 284.403 3.024 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000067372303 345319960 /nfs/dbraw/zinc/31/99/60/345319960.db2.gz NGBPCYOMXKLKBK-UHFFFAOYSA-N 0 3 290.798 3.059 20 30 CGEDHN C=CCCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000068386212 345352154 /nfs/dbraw/zinc/35/21/54/345352154.db2.gz OCVKUSKDQGDGBY-AWEZNQCLSA-N 0 3 274.408 3.198 20 30 CGEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1 ZINC000078878112 345623917 /nfs/dbraw/zinc/62/39/17/345623917.db2.gz UZINLCJFAOWVNA-ZDUSSCGKSA-N 0 3 296.370 3.426 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000080974158 345693458 /nfs/dbraw/zinc/69/34/58/345693458.db2.gz YULJIZGPYWYBFV-BBRMVZONSA-N 0 3 280.375 3.222 20 30 CGEDHN C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1cccc(C#N)c1 ZINC000085330983 345745589 /nfs/dbraw/zinc/74/55/89/345745589.db2.gz HUTDZNJEUJTNDX-ASSNKEHSSA-N 0 3 298.411 3.146 20 30 CGEDHN C[C@@H]1C[C@H](C)CN(Cc2cn3ccccc3c2C#N)C1 ZINC000141200732 346107846 /nfs/dbraw/zinc/10/78/46/346107846.db2.gz PSIJQXWIWJIBPK-OKILXGFUSA-N 0 3 267.376 3.289 20 30 CGEDHN Cc1nc2c(s1)[C@H](N(C)CCCSCC#N)CCC2 ZINC000072518071 260276570 /nfs/dbraw/zinc/27/65/70/260276570.db2.gz VWSDTLCQXRQQDA-CYBMUJFWSA-N 0 3 295.477 3.408 20 30 CGEDHN C=C[C@H](CO)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000624016138 349947179 /nfs/dbraw/zinc/94/71/79/349947179.db2.gz OWSUTIDYFSBVRA-IAQYHMDHSA-N 0 3 290.794 3.335 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000246727292 346364067 /nfs/dbraw/zinc/36/40/67/346364067.db2.gz VRYNTIMWGKKBPU-ZNMIVQPWSA-N 0 3 266.429 3.062 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)c(F)c1)C(C)(C)C ZINC000382491545 346560193 /nfs/dbraw/zinc/56/01/93/346560193.db2.gz FFUTVHRDLLDOFC-UHFFFAOYSA-N 0 3 279.355 3.399 20 30 CGEDHN CCOC(=O)[C@@H]1CC[C@H](NCC2(C#N)CCCC2)C[C@H]1C ZINC000593653390 347100434 /nfs/dbraw/zinc/10/04/34/347100434.db2.gz JGFAESVVMZIBRI-QLFBSQMISA-N 0 3 292.423 3.028 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCCC1 ZINC000593654575 347101218 /nfs/dbraw/zinc/10/12/18/347101218.db2.gz IPBJYOJTEAOVGJ-ARFHVFGLSA-N 0 3 276.424 3.255 20 30 CGEDHN C[C@@H]1CN(CCCC#N)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404440400 346599848 /nfs/dbraw/zinc/59/98/48/346599848.db2.gz UHFXKKCNWAFPOJ-BRWVUGGUSA-N 0 3 285.435 3.273 20 30 CGEDHN N#Cc1ccc(OCCN2CCC3(CC3(F)F)CC2)cc1 ZINC000404885166 346601647 /nfs/dbraw/zinc/60/16/47/346601647.db2.gz IFWDVKCLUCUXES-UHFFFAOYSA-N 0 3 292.329 3.058 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC2(CC2(F)F)CC1 ZINC000404920114 346601870 /nfs/dbraw/zinc/60/18/70/346601870.db2.gz XWGUNLIOHWNMFB-UHFFFAOYSA-N 0 3 292.329 3.058 20 30 CGEDHN COCCN(CCc1ccccc1)Cc1cccc(C#N)c1 ZINC000339238411 215031667 /nfs/dbraw/zinc/03/16/67/215031667.db2.gz WBOUTKLJNAOPJL-UHFFFAOYSA-N 0 3 294.398 3.249 20 30 CGEDHN C[C@H](CCC#N)CN1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000585727848 346727696 /nfs/dbraw/zinc/72/76/96/346727696.db2.gz XIXDPHHBBCXCND-TZMCWYRMSA-N 0 3 288.395 3.066 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@@]1(C)CCCO1 ZINC000585726540 346727912 /nfs/dbraw/zinc/72/79/12/346727912.db2.gz QGTRJKSUQWWXHF-XHDPSFHLSA-N 0 3 278.783 3.259 20 30 CGEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(CC#N)CC1 ZINC000584697299 346708190 /nfs/dbraw/zinc/70/81/90/346708190.db2.gz ZUFDYXYEYBSNMX-LBPRGKRZSA-N 0 3 273.336 3.248 20 30 CGEDHN CC(C)O[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000584778396 346713820 /nfs/dbraw/zinc/71/38/20/346713820.db2.gz YZUFPOUMEXZYLU-CZUORRHYSA-N 0 3 258.365 3.119 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc(C(=O)OCC)o1 ZINC000589198109 346789891 /nfs/dbraw/zinc/78/98/91/346789891.db2.gz ULDZTPORQLDTSV-NWDGAFQWSA-N 0 3 265.353 3.147 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000589278466 346792182 /nfs/dbraw/zinc/79/21/82/346792182.db2.gz SJWOERKQWQKRNI-LBPRGKRZSA-N 0 3 264.319 3.344 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cn2)CCc2ccccc21 ZINC000594014716 347137158 /nfs/dbraw/zinc/13/71/58/347137158.db2.gz JEWDAOGTCCGWFI-CQSZACIVSA-N 0 3 277.371 3.115 20 30 CGEDHN CC1(C)CC[C@H](CNC2(c3ccc(C#N)cc3)CCC2)O1 ZINC000594032892 347141044 /nfs/dbraw/zinc/14/10/44/347141044.db2.gz COFSSMRUVJWOFN-MRXNPFEDSA-N 0 3 284.403 3.485 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]2CC2CCCC2)ccn1 ZINC000594052036 347145147 /nfs/dbraw/zinc/14/51/47/347145147.db2.gz CXLMHJIBKZTSDT-QGZVFWFLSA-N 0 3 269.392 3.498 20 30 CGEDHN CN(C)CCN(CC1CCCCC1)C(=O)CCCCC#N ZINC000594246758 347167890 /nfs/dbraw/zinc/16/78/90/347167890.db2.gz UPZDPCSNOQVXIY-UHFFFAOYSA-N 0 3 293.455 3.041 20 30 CGEDHN CCC[C@H](NC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594434811 347174683 /nfs/dbraw/zinc/17/46/83/347174683.db2.gz UEIZYCPPUBOKOS-CVEARBPZSA-N 0 3 293.455 3.263 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCc2ccccc2CO)cc1 ZINC000594496703 347178658 /nfs/dbraw/zinc/17/86/58/347178658.db2.gz RVUOVTLUOIKDMV-UHFFFAOYSA-N 0 3 294.398 3.270 20 30 CGEDHN C[C@H](Cc1ccccn1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000594514863 347185820 /nfs/dbraw/zinc/18/58/20/347185820.db2.gz LJPIOQFZVWBGCT-OLZOCXBDSA-N 0 3 283.350 3.374 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000594987953 347250468 /nfs/dbraw/zinc/25/04/68/347250468.db2.gz NADNZZHDHMIGON-HUUCEWRRSA-N 0 3 288.391 3.367 20 30 CGEDHN C[C@H]1C[C@H](C)CN(CCSc2ccncc2C#N)C1 ZINC000594913674 347228171 /nfs/dbraw/zinc/22/81/71/347228171.db2.gz AVVXPPLSJKLWEW-STQMWFEESA-N 0 3 275.421 3.023 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594948757 347238599 /nfs/dbraw/zinc/23/85/99/347238599.db2.gz AUFKDXRVTZIVDC-ZBFHGGJFSA-N 0 3 265.360 3.024 20 30 CGEDHN CC1(C)C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)CO1 ZINC000594954558 347240183 /nfs/dbraw/zinc/24/01/83/347240183.db2.gz NJIBUGFGVPUVEB-GFCCVEGCSA-N 0 3 298.308 3.234 20 30 CGEDHN C=CCCSCCNCc1cnc2c(C)cccn12 ZINC000594960238 347241297 /nfs/dbraw/zinc/24/12/97/347241297.db2.gz NRHOCJSYVWJVTI-UHFFFAOYSA-N 0 3 275.421 3.042 20 30 CGEDHN C=CCCSCCNCc1nn(CC)c2ccccc12 ZINC000594960613 347241410 /nfs/dbraw/zinc/24/14/10/347241410.db2.gz WECJAKOMLBNBSO-UHFFFAOYSA-N 0 3 289.448 3.455 20 30 CGEDHN C=CCCSCCNCc1csc([N+](=O)[O-])c1 ZINC000594960177 347241657 /nfs/dbraw/zinc/24/16/57/347241657.db2.gz MGULLTUFSRVGTN-UHFFFAOYSA-N 0 3 272.395 3.055 20 30 CGEDHN Cc1cc(CN[C@@H]2CCc3ccc(O)cc32)ccc1C#N ZINC000594978886 347247987 /nfs/dbraw/zinc/24/79/87/347247987.db2.gz CQBVWLULHDKASD-GOSISDBHSA-N 0 3 278.355 3.349 20 30 CGEDHN N#CC1(CN[C@@H]2CCOC3(CCC3)C2)CCCCC1 ZINC000594981750 347248786 /nfs/dbraw/zinc/24/87/86/347248786.db2.gz UJKMCOWXWKASKZ-CQSZACIVSA-N 0 3 262.397 3.152 20 30 CGEDHN C[C@H](c1ccco1)N(C)CCc1ccc(C#N)cc1 ZINC000595297857 347289464 /nfs/dbraw/zinc/28/94/64/347289464.db2.gz ZTCPOBSAFNZQOL-CYBMUJFWSA-N 0 3 254.333 3.387 20 30 CGEDHN CN(CCOCc1ccccc1)CCc1ccc(C#N)cc1 ZINC000595339364 347294081 /nfs/dbraw/zinc/29/40/81/347294081.db2.gz NNWGRJIKOJBMRI-UHFFFAOYSA-N 0 3 294.398 3.249 20 30 CGEDHN Cc1cc(CN[C@@H](c2ccccc2)[C@H](C)O)ccc1C#N ZINC000595005906 347254291 /nfs/dbraw/zinc/25/42/91/347254291.db2.gz FTTCAWQONACVHX-KBXCAEBGSA-N 0 3 280.371 3.078 20 30 CGEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)C1CCCC1 ZINC000595418045 347300071 /nfs/dbraw/zinc/30/00/71/347300071.db2.gz NSDHJSDUICVSRV-KRWDZBQOSA-N 0 3 284.403 3.342 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCn2nccc21 ZINC000595043557 347267046 /nfs/dbraw/zinc/26/70/46/347267046.db2.gz HWVIZCVFSMUAOY-SJORKVTESA-N 0 3 292.386 3.257 20 30 CGEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CC1)C1CCCC1 ZINC000595418046 347300135 /nfs/dbraw/zinc/30/01/35/347300135.db2.gz NSDHJSDUICVSRV-QGZVFWFLSA-N 0 3 284.403 3.342 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000595057702 347272622 /nfs/dbraw/zinc/27/26/22/347272622.db2.gz CLGAUZPHPFSMLA-NSHDSACASA-N 0 3 283.393 3.026 20 30 CGEDHN C=CCCSCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000595059821 347273913 /nfs/dbraw/zinc/27/39/13/347273913.db2.gz PJCZIMQZLLRPRV-CQSZACIVSA-N 0 3 294.468 3.325 20 30 CGEDHN C=CCCSCCN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000595059821 347273915 /nfs/dbraw/zinc/27/39/15/347273915.db2.gz PJCZIMQZLLRPRV-CQSZACIVSA-N 0 3 294.468 3.325 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NC[C@H](OC2CCCC2)C(F)(F)F)C1 ZINC000595074698 347278314 /nfs/dbraw/zinc/27/83/14/347278314.db2.gz UEFHTRJFDFXTCN-WZRBSPASSA-N 0 3 290.329 3.158 20 30 CGEDHN COCc1csc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000595079366 347278969 /nfs/dbraw/zinc/27/89/69/347278969.db2.gz WZCHSBWQDNQVHT-DGCLKSJQSA-N 0 3 264.394 3.066 20 30 CGEDHN COC[C@H](CC(C)C)NCC1(C#N)CCCCC1 ZINC000595090164 347280706 /nfs/dbraw/zinc/28/07/06/347280706.db2.gz DPIJBWWCZYTQDF-AWEZNQCLSA-N 0 3 252.402 3.111 20 30 CGEDHN N#CC1(CN[C@@H]2CCCSCC2)CCCCC1 ZINC000595092695 347281005 /nfs/dbraw/zinc/28/10/05/347281005.db2.gz ZHMHAJVHVYDMHH-CYBMUJFWSA-N 0 3 252.427 3.336 20 30 CGEDHN C[C@H](O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000595103894 347284305 /nfs/dbraw/zinc/28/43/05/347284305.db2.gz OMXJMAJDGWTNQS-SUNYJGFJSA-N 0 3 280.371 3.331 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000595610959 347326510 /nfs/dbraw/zinc/32/65/10/347326510.db2.gz DVQNBPMFVKBEEX-LBPRGKRZSA-N 0 3 280.318 3.414 20 30 CGEDHN COCC[C@@H](c1ccccc1)N1CCC[C@@H](CC#N)C1 ZINC000595621510 347328685 /nfs/dbraw/zinc/32/86/85/347328685.db2.gz VTHIXWZUICFJOR-RDJZCZTQSA-N 0 3 272.392 3.390 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CCCC3)CC2)nc1 ZINC000595641436 347331918 /nfs/dbraw/zinc/33/19/18/347331918.db2.gz MFGQXPTUHDKTHQ-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000595660971 347335026 /nfs/dbraw/zinc/33/50/26/347335026.db2.gz UVAFAXJDUJJJRK-OLZOCXBDSA-N 0 3 277.364 3.415 20 30 CGEDHN C=CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000595763582 347352662 /nfs/dbraw/zinc/35/26/62/347352662.db2.gz QYUAHVJUBNOZNQ-UHFFFAOYSA-N 0 3 278.352 3.390 20 30 CGEDHN COc1cccc([C@@]2(C)CCN([C@H](C)CCC#N)C2)c1 ZINC000595764438 347352704 /nfs/dbraw/zinc/35/27/04/347352704.db2.gz ISZDFSKUWVWKFB-PBHICJAKSA-N 0 3 272.392 3.351 20 30 CGEDHN C=CCN(Cc1ccc(C#N)cc1OC)C(C)(C)C ZINC000595765175 347353166 /nfs/dbraw/zinc/35/31/66/347353166.db2.gz HWABNGZEPYLOQZ-UHFFFAOYSA-N 0 3 258.365 3.353 20 30 CGEDHN C=CCC1(NCc2cc(C(=O)OC)c(C)o2)CCCC1 ZINC000595780549 347354962 /nfs/dbraw/zinc/35/49/62/347354962.db2.gz UTSPODLBSBFVGI-UHFFFAOYSA-N 0 3 277.364 3.353 20 30 CGEDHN CC[C@H](C)N(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595592622 347322855 /nfs/dbraw/zinc/32/28/55/347322855.db2.gz HAUMSGRKPYIRSV-LBPRGKRZSA-N 0 3 284.363 3.229 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccon2)CC1 ZINC000595829609 347361938 /nfs/dbraw/zinc/36/19/38/347361938.db2.gz WTBZEJQTUOSFIT-CYBMUJFWSA-N 0 3 281.359 3.487 20 30 CGEDHN COc1ccc(C#N)cc1CNC1(CC(C)C)CC1 ZINC000595832585 347362892 /nfs/dbraw/zinc/36/28/92/347362892.db2.gz XPMKALMNUHFLOH-UHFFFAOYSA-N 0 3 258.365 3.235 20 30 CGEDHN N#CC[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000596331544 347420512 /nfs/dbraw/zinc/42/05/12/347420512.db2.gz RIUXERHRWXBDJA-ZDUSSCGKSA-N 0 3 251.333 3.365 20 30 CGEDHN COc1ccc(-c2ccc(OCCN(C)C)cc2)c(C#N)c1 ZINC000596639387 347495744 /nfs/dbraw/zinc/49/57/44/347495744.db2.gz PHSVBWLHQGYYPL-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN N#CCCCOc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000597173909 347544457 /nfs/dbraw/zinc/54/44/57/347544457.db2.gz NGMJLOOLKYAHLL-MRXNPFEDSA-N 0 3 297.402 3.495 20 30 CGEDHN CCN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCCO1 ZINC000596999672 347526330 /nfs/dbraw/zinc/52/63/30/347526330.db2.gz HWYXNGXHAWMUHF-KRWDZBQOSA-N 0 3 284.403 3.243 20 30 CGEDHN C[C@H](Cc1ccc2c(c1)CCCC2)NCC1(C#N)CC1 ZINC000597120223 347537717 /nfs/dbraw/zinc/53/77/17/347537717.db2.gz CUGBIUBADUZQGP-CQSZACIVSA-N 0 3 268.404 3.390 20 30 CGEDHN C=CCC[C@@H](C)NCc1ccc(C(=O)OC)cc1F ZINC000597221819 347556901 /nfs/dbraw/zinc/55/69/01/347556901.db2.gz KWNHNHXWCJZRPZ-LLVKDONJSA-N 0 3 265.328 3.057 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCSc2ccccc21 ZINC000598700742 347680190 /nfs/dbraw/zinc/68/01/90/347680190.db2.gz PTLXUQHMBUGQNL-JSGCOSHPSA-N 0 3 290.432 3.114 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC(CC2CC2)C1 ZINC000598906649 347698869 /nfs/dbraw/zinc/69/88/69/347698869.db2.gz RQEDYZDRQJESOJ-KRWDZBQOSA-N 0 3 282.387 3.017 20 30 CGEDHN C=CCSCCNCc1ccc(OC)c(OC2CC2)c1 ZINC000598961730 347701084 /nfs/dbraw/zinc/70/10/84/347701084.db2.gz ADMYWLFBHXHLKR-UHFFFAOYSA-N 0 3 293.432 3.245 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2cccc(Cl)c2)CC1 ZINC000598603664 347670549 /nfs/dbraw/zinc/67/05/49/347670549.db2.gz YFYTYHBYDZWKNP-CQSZACIVSA-N 0 3 292.810 3.219 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598613593 347671264 /nfs/dbraw/zinc/67/12/64/347671264.db2.gz KGOHLIHSHBDRNQ-KRWDZBQOSA-N 0 3 286.419 3.365 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC=C(c2ccccc2)C1 ZINC000598614201 347671272 /nfs/dbraw/zinc/67/12/72/347671272.db2.gz JRICAYAYJFDOBD-KRWDZBQOSA-N 0 3 284.403 3.076 20 30 CGEDHN CCOC[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599295774 347732545 /nfs/dbraw/zinc/73/25/45/347732545.db2.gz PJKAMNNSZCSJMD-MRXNPFEDSA-N 0 3 272.392 3.115 20 30 CGEDHN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1cc(F)ccc1F ZINC000599356254 347738638 /nfs/dbraw/zinc/73/86/38/347738638.db2.gz KMXSNNIJHZLMIP-DOMZBBRYSA-N 0 3 294.345 3.060 20 30 CGEDHN Cc1ccc(CN[C@H](C)c2cnccc2C)cc1C#N ZINC000599362889 347739846 /nfs/dbraw/zinc/73/98/46/347739846.db2.gz RIKGLEJYALUDKL-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1C#N ZINC000599380115 347740474 /nfs/dbraw/zinc/74/04/74/347740474.db2.gz BBBBKGAGTIPPFM-GOSISDBHSA-N 0 3 284.403 3.258 20 30 CGEDHN CC(C)[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000599465756 347746936 /nfs/dbraw/zinc/74/69/36/347746936.db2.gz QITLODDGUGZISW-CJNGLKHVSA-N 0 3 290.382 3.167 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000599526702 347750461 /nfs/dbraw/zinc/75/04/61/347750461.db2.gz PSLAHECMJURBJZ-CQSZACIVSA-N 0 3 265.360 3.209 20 30 CGEDHN Cc1cc(CN2CC[C@H]3CC[C@@H](C2)S3)ccc1C#N ZINC000599553156 347753905 /nfs/dbraw/zinc/75/39/05/347753905.db2.gz OUKCNYKCDYYMEC-CVEARBPZSA-N 0 3 272.417 3.337 20 30 CGEDHN CC(C)(CCC#N)CN1CCc2c(CC#N)cccc2C1 ZINC000600212288 347794363 /nfs/dbraw/zinc/79/43/63/347794363.db2.gz BMVYBHYAIKTVEH-UHFFFAOYSA-N 0 3 281.403 3.441 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cccc(C(=O)OCC)n2)C1 ZINC000600180175 347789968 /nfs/dbraw/zinc/78/99/68/347789968.db2.gz HRJQGXBCXDVULR-AWEZNQCLSA-N 0 3 288.391 3.046 20 30 CGEDHN C=CCCSCCNCc1ccc(C(F)F)nc1 ZINC000601131796 347873131 /nfs/dbraw/zinc/87/31/31/347873131.db2.gz QYWPXZGEMQKIBU-UHFFFAOYSA-N 0 3 272.364 3.418 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000601285028 347888725 /nfs/dbraw/zinc/88/87/25/347888725.db2.gz LRLLXKLKZKWDKL-LLLHUVSDSA-N 0 3 270.376 3.189 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3cccnc3c2)C1 ZINC000601292534 347889437 /nfs/dbraw/zinc/88/94/37/347889437.db2.gz QATDMQZXDTUSBW-CJNGLKHVSA-N 0 3 265.360 3.407 20 30 CGEDHN Cc1cccc(NC(=O)CN(C)C[C@H](C)CCC#N)c1C ZINC000602435784 347957162 /nfs/dbraw/zinc/95/71/62/347957162.db2.gz UXZBCNASCDNPCM-CYBMUJFWSA-N 0 3 287.407 3.114 20 30 CGEDHN COc1ccc(CN(C)C[C@H](C)CCC#N)c(OC)c1 ZINC000602431772 347957471 /nfs/dbraw/zinc/95/74/71/347957471.db2.gz FQQNCOXUWWQDAG-CYBMUJFWSA-N 0 3 276.380 3.075 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cccc(C#N)n1 ZINC000602477324 347964657 /nfs/dbraw/zinc/96/46/57/347964657.db2.gz JQBCCRAYLIWKEU-UKRRQHHQSA-N 0 3 295.361 3.470 20 30 CGEDHN CCS[C@@H]1CC[C@H](N(C)Cc2cccc(C#N)n2)C1 ZINC000602485910 347968001 /nfs/dbraw/zinc/96/80/01/347968001.db2.gz RRNWOACYVCEZGF-LSDHHAIUSA-N 0 3 275.421 3.059 20 30 CGEDHN CC(C)[C@@H](NC1CCC(C#N)CC1)c1nc(C2CC2)no1 ZINC000602592323 347990003 /nfs/dbraw/zinc/99/00/03/347990003.db2.gz CUFAQGBGUPQXBP-UXUKBGGZSA-N 0 3 288.395 3.316 20 30 CGEDHN C[C@H](CCC#N)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000602659226 348002843 /nfs/dbraw/zinc/00/28/43/348002843.db2.gz PVZQYRMDFINYGT-ZBFHGGJFSA-N 0 3 260.356 3.497 20 30 CGEDHN COc1ccc(-c2cc(CNC[C@@H](C)CCC#N)on2)cc1 ZINC000602709750 348015016 /nfs/dbraw/zinc/01/50/16/348015016.db2.gz QAGQETKXXLCCRS-ZDUSSCGKSA-N 0 3 299.374 3.380 20 30 CGEDHN C[C@H](CCC#N)CN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000602712961 348015912 /nfs/dbraw/zinc/01/59/12/348015912.db2.gz WWIJJBLYUOZWNL-HUUCEWRRSA-N 0 3 264.413 3.350 20 30 CGEDHN CC[C@H](CCc1ccccc1)NCc1cccc(C#N)n1 ZINC000602720833 348017141 /nfs/dbraw/zinc/01/71/41/348017141.db2.gz NYALYTSDJOMMEI-MRXNPFEDSA-N 0 3 279.387 3.454 20 30 CGEDHN N#Cc1cccc(CNCC2CCc3ccccc3CC2)n1 ZINC000602720956 348017206 /nfs/dbraw/zinc/01/72/06/348017206.db2.gz MYKOTTBXXGCXBA-UHFFFAOYSA-N 0 3 291.398 3.238 20 30 CGEDHN COc1ccc(CCCN(C)CC2(CC#N)CC2)cc1 ZINC000602762917 348024438 /nfs/dbraw/zinc/02/44/38/348024438.db2.gz HBZIEEWMSLXHLR-UHFFFAOYSA-N 0 3 272.392 3.253 20 30 CGEDHN N#Cc1cccc(CN[C@@H](Cc2ccccc2)C2CC2)n1 ZINC000602556154 347981647 /nfs/dbraw/zinc/98/16/47/347981647.db2.gz JKWMDWLXENVIFV-SFHVURJKSA-N 0 3 277.371 3.064 20 30 CGEDHN C[C@H](CN(C)C(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000602560789 347982163 /nfs/dbraw/zinc/98/21/63/347982163.db2.gz UICZFIZZJZZBHP-ZBFHGGJFSA-N 0 3 293.455 3.072 20 30 CGEDHN CC(C)(C#N)CCCn1cc(CNC2CCCCC2)nn1 ZINC000603259841 348067207 /nfs/dbraw/zinc/06/72/07/348067207.db2.gz KAOBZUIMXJXQSG-UHFFFAOYSA-N 0 3 289.427 3.030 20 30 CGEDHN N#CCC1(CNC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000602792269 348030768 /nfs/dbraw/zinc/03/07/68/348030768.db2.gz NJLWIAFTZNHELM-UHFFFAOYSA-N 0 3 288.366 3.115 20 30 CGEDHN N#CCCC[C@@H](NCc1cc[nH]c(=O)c1)c1ccccc1 ZINC000602839539 348035614 /nfs/dbraw/zinc/03/56/14/348035614.db2.gz KHEUHDDIMLJZMA-MRXNPFEDSA-N 0 3 281.359 3.312 20 30 CGEDHN N#CCC1(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000602852839 348037285 /nfs/dbraw/zinc/03/72/85/348037285.db2.gz RPWBZZLTXZKDGY-ZWKOTPCHSA-N 0 3 298.430 3.138 20 30 CGEDHN Cc1nc2ccccc2n1CCCCCN[C@H](C)CC#N ZINC000602870532 348038927 /nfs/dbraw/zinc/03/89/27/348038927.db2.gz MRXKDMHNKRVNCF-CQSZACIVSA-N 0 3 284.407 3.407 20 30 CGEDHN N#Cc1ccccc1NC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000602893008 348040865 /nfs/dbraw/zinc/04/08/65/348040865.db2.gz ADHDEAJHTNZPBQ-YOEHRIQHSA-N 0 3 294.402 3.127 20 30 CGEDHN C=CCCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000605149635 348148662 /nfs/dbraw/zinc/14/86/62/348148662.db2.gz IDXDBEUKJYLPSL-UHFFFAOYSA-N 0 3 278.827 3.424 20 30 CGEDHN C=CCCCCCN(C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000606919801 348208917 /nfs/dbraw/zinc/20/89/17/348208917.db2.gz LKXDZCCQSBSJLJ-INIZCTEOSA-N 0 3 295.471 3.106 20 30 CGEDHN C=C(C)CN(C)CCOc1ccc(Br)cc1 ZINC000606935689 348211136 /nfs/dbraw/zinc/21/11/36/348211136.db2.gz YHDKQZWBXGVTHR-UHFFFAOYSA-N 0 3 284.197 3.336 20 30 CGEDHN C[C@@H](NCc1ccc2[nH]cnc2c1)c1cccc(C#N)c1 ZINC000610345034 348376467 /nfs/dbraw/zinc/37/64/67/348376467.db2.gz QMZLTOQGJNAGEF-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN C[C@@H](NCc1ccc2nc[nH]c2c1)c1cccc(C#N)c1 ZINC000610345034 348376468 /nfs/dbraw/zinc/37/64/68/348376468.db2.gz QMZLTOQGJNAGEF-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN CN(Cc1ccnc(C#N)c1)[C@H]1CCCc2ccccc21 ZINC000610991365 348414309 /nfs/dbraw/zinc/41/43/09/348414309.db2.gz LDYBURAFEAXSGR-SFHVURJKSA-N 0 3 277.371 3.463 20 30 CGEDHN CC(C)C[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610995133 348417485 /nfs/dbraw/zinc/41/74/85/348417485.db2.gz NXEYKSINSWNOST-INIZCTEOSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000610681851 348395898 /nfs/dbraw/zinc/39/58/98/348395898.db2.gz HIUZFHBZVRQXEP-FGTMMUONSA-N 0 3 291.483 3.369 20 30 CGEDHN CC1(C)CC[C@@H](N2CCN(CCC#N)CC2)c2ccccc21 ZINC000611176125 348426449 /nfs/dbraw/zinc/42/64/49/348426449.db2.gz UMICWKRYRQTISG-GOSISDBHSA-N 0 3 297.446 3.330 20 30 CGEDHN CC(C)C(NCc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000611434104 348451792 /nfs/dbraw/zinc/45/17/92/348451792.db2.gz NMZYFVNDSLFOHM-UHFFFAOYSA-N 0 3 298.390 3.378 20 30 CGEDHN CC(C)(CCC#N)CN1CCC[C@@H](OC(F)F)C1 ZINC000611608938 348463105 /nfs/dbraw/zinc/46/31/05/348463105.db2.gz DUHSXJQIDHEGAD-LLVKDONJSA-N 0 3 260.328 3.020 20 30 CGEDHN C[C@@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CN1C1CC1 ZINC000613427164 348601444 /nfs/dbraw/zinc/60/14/44/348601444.db2.gz SCKSCDKGNYMDTF-OCCSQVGLSA-N 0 3 298.434 3.288 20 30 CGEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCCCO1 ZINC000614160555 348653758 /nfs/dbraw/zinc/65/37/58/348653758.db2.gz CDSGYMMKJBVRKS-KRWDZBQOSA-N 0 3 286.419 3.489 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCCOC(C)(C)C2)cc1 ZINC000614167935 348654332 /nfs/dbraw/zinc/65/43/32/348654332.db2.gz CEZYKEYHVCGIPE-UHFFFAOYSA-N 0 3 286.419 3.489 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000273480725 192168124 /nfs/dbraw/zinc/16/81/24/192168124.db2.gz UQJROVUCUUODEF-AAEUAGOBSA-N 0 3 281.421 3.005 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000617785521 349012944 /nfs/dbraw/zinc/01/29/44/349012944.db2.gz KXCGZSXSZAQHOR-XUWVNRHRSA-N 0 3 278.440 3.062 20 30 CGEDHN C[C@H](NCC1(C)CCOCC1)c1ccc(C#N)cc1F ZINC000358557555 233154386 /nfs/dbraw/zinc/15/43/86/233154386.db2.gz BZPRDIPFPHMDCA-LBPRGKRZSA-N 0 3 276.355 3.165 20 30 CGEDHN Cn1cc([C@H](N[C@@H]2CCC[C@H](C#N)C2)C(C)(C)C)cn1 ZINC000618601557 349118678 /nfs/dbraw/zinc/11/86/78/349118678.db2.gz LFJUXRVZYNUIFX-CFVMTHIKSA-N 0 3 274.412 3.179 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCCCC3)CC2)nc1 ZINC000618904154 349177727 /nfs/dbraw/zinc/17/77/27/349177727.db2.gz RFIQZYWFSMBCGN-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000358878770 233208546 /nfs/dbraw/zinc/20/85/46/233208546.db2.gz VFQVOYSMTOXUNT-VXGBXAGGSA-N 0 3 292.814 3.139 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000619516690 349255115 /nfs/dbraw/zinc/25/51/15/349255115.db2.gz MDGNMVMPENTIFO-CQSZACIVSA-N 0 3 257.381 3.211 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1Cl ZINC000619754743 349281533 /nfs/dbraw/zinc/28/15/33/349281533.db2.gz JPUNPBVWXVJCIU-RISCZKNCSA-N 0 3 273.767 3.384 20 30 CGEDHN CN(C)[C@@]1(CNc2ccc(Cl)cc2C#N)CCSC1 ZINC000359034628 233245872 /nfs/dbraw/zinc/24/58/72/233245872.db2.gz IQXKYMGBQCAVLA-CQSZACIVSA-N 0 3 295.839 3.061 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000628406466 350529758 /nfs/dbraw/zinc/52/97/58/350529758.db2.gz KLIALFNRWFWNKW-HNNXBMFYSA-N 0 3 273.424 3.324 20 30 CGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000108248243 186209040 /nfs/dbraw/zinc/20/90/40/186209040.db2.gz GYRUUAZTIKKTKX-CQSZACIVSA-N 0 3 298.729 3.301 20 30 CGEDHN C=CC[C@H](CO)CNCc1oc2ccccc2c1Cl ZINC000631108260 350956039 /nfs/dbraw/zinc/95/60/39/350956039.db2.gz VBTPARZIQQQJIG-NSHDSACASA-N 0 3 279.767 3.360 20 30 CGEDHN C=CCC[C@H](NC(=O)CN(C)C(C)C)c1ccccc1 ZINC000123048914 187068083 /nfs/dbraw/zinc/06/80/83/187068083.db2.gz COHWXZQSBVYLMZ-INIZCTEOSA-N 0 3 274.408 3.150 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000122767877 187050505 /nfs/dbraw/zinc/05/05/05/187050505.db2.gz SDRMEXRJFYSTLJ-STQMWFEESA-N 0 3 258.365 3.045 20 30 CGEDHN C=CC[C@H](C)N[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271543447 191203589 /nfs/dbraw/zinc/20/35/89/191203589.db2.gz YXJBIMZTNKBMKV-UONOGXRCSA-N 0 3 284.407 3.499 20 30 CGEDHN CC#CCCN1CCC(OCc2ccccc2OC)CC1 ZINC000157587162 188326218 /nfs/dbraw/zinc/32/62/18/188326218.db2.gz SFZVYJAXHVWWMN-UHFFFAOYSA-N 0 3 287.403 3.090 20 30 CGEDHN Cc1csc([C@@H](C)CNCc2ccc(C#N)cc2F)n1 ZINC000273537206 192192790 /nfs/dbraw/zinc/19/27/90/192192790.db2.gz WJRIMHUDTQYYBX-JTQLQIEISA-N 0 3 289.379 3.356 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cc(C#N)cs1 ZINC000093324899 138344881 /nfs/dbraw/zinc/34/48/81/138344881.db2.gz LTNDLAPZPRJOKO-LBPRGKRZSA-N 0 3 286.400 3.388 20 30 CGEDHN CC(C)(C)CN(CCCO)Cc1cn2ccccc2c1C#N ZINC000106934842 138356699 /nfs/dbraw/zinc/35/66/99/138356699.db2.gz GWVDVDICOGIRER-UHFFFAOYSA-N 0 3 299.418 3.041 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2C[C@H]2C2CCC2)c(F)c1 ZINC000424163553 236127389 /nfs/dbraw/zinc/12/73/89/236127389.db2.gz AIHUFCCFQANZIU-GJZGRUSLSA-N 0 3 258.340 3.223 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000177445363 189051592 /nfs/dbraw/zinc/05/15/92/189051592.db2.gz YWCHDYVKUPJGRA-NVXWUHKLSA-N 0 3 286.419 3.122 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)cc2C)CC1 ZINC000178114757 189091688 /nfs/dbraw/zinc/09/16/88/189091688.db2.gz ZNYQGAXRMTZDIT-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN Cc1cc(C#N)ccc1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000439069005 238227248 /nfs/dbraw/zinc/22/72/48/238227248.db2.gz RYKLFQDYVNMAJI-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN CCc1ccc([C@H](CNc2ccc(C#N)nc2)N(C)C)cc1 ZINC000301514674 201039376 /nfs/dbraw/zinc/03/93/76/201039376.db2.gz GEGOVXREELPPDL-SFHVURJKSA-N 0 3 294.402 3.230 20 30 CGEDHN CC[C@@H](C)[C@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000183057395 189344458 /nfs/dbraw/zinc/34/44/58/189344458.db2.gz XUDZYCVEDGFSHD-NEPJUHHUSA-N 0 3 284.363 3.132 20 30 CGEDHN CC1=CCN(CCNc2c(C#N)cnc3ccccc32)CC1 ZINC000302144606 201364162 /nfs/dbraw/zinc/36/41/62/201364162.db2.gz IUHOZKTUQQNPQH-UHFFFAOYSA-N 0 3 292.386 3.170 20 30 CGEDHN CC1=CCN(CCNc2ccc(Cl)cc2C#N)CC1 ZINC000302148778 201367604 /nfs/dbraw/zinc/36/76/04/201367604.db2.gz KROSGQDQUVOWQO-UHFFFAOYSA-N 0 3 275.783 3.276 20 30 CGEDHN CCN(CC1=CCCOC1)[C@H](C)c1ccc(C#N)cc1 ZINC000119875696 370718020 /nfs/dbraw/zinc/71/80/20/370718020.db2.gz KEGAUJSMGCSIRU-CQSZACIVSA-N 0 3 270.376 3.288 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000120233867 370751974 /nfs/dbraw/zinc/75/19/74/370751974.db2.gz XWUJSZHDYBPGMF-HUUCEWRRSA-N 0 3 295.448 3.183 20 30 CGEDHN N#Cc1ccc(CNCC2CCC(F)(F)CC2)o1 ZINC000337284045 376190625 /nfs/dbraw/zinc/19/06/25/376190625.db2.gz JFPUZDOPJHMEKT-UHFFFAOYSA-N 0 3 254.280 3.066 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@]3(CCSC3)C2)cc1 ZINC000335579918 212291645 /nfs/dbraw/zinc/29/16/45/212291645.db2.gz LWSMYGHSSCBVGU-INIZCTEOSA-N 0 3 272.417 3.277 20 30 CGEDHN COc1cc(C#N)ccc1CN([C@@H](C)C1CC1)C1CC1 ZINC000120635121 370787705 /nfs/dbraw/zinc/78/77/05/370787705.db2.gz GIDXNTNCSURHDO-LBPRGKRZSA-N 0 3 270.376 3.330 20 30 CGEDHN COc1cc(C#N)ccc1CN1[C@H](C)CCC[C@@H]1C ZINC000120912999 370813706 /nfs/dbraw/zinc/81/37/06/370813706.db2.gz BABZXCAOZMLQOI-BETUJISGSA-N 0 3 258.365 3.330 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCC(C)(C)C1 ZINC000120956145 370816410 /nfs/dbraw/zinc/81/64/10/370816410.db2.gz FFIAZGAEKAHKHK-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CCCC[C@H]1CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000460347501 242265796 /nfs/dbraw/zinc/26/57/96/242265796.db2.gz MOJMJJIMUNMFSP-DOTOQJQBSA-N 0 3 299.418 3.445 20 30 CGEDHN C[C@H](COCC(F)(F)F)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353274008 220003460 /nfs/dbraw/zinc/00/34/60/220003460.db2.gz NXGVSDWNABPKQC-QMTHXVAHSA-N 0 3 298.308 3.103 20 30 CGEDHN COc1cccc([C@@H](C)NCc2ccc(C#N)cc2)c1 ZINC000037748270 369102964 /nfs/dbraw/zinc/10/29/64/369102964.db2.gz RPLQRQRZNYDYMF-CYBMUJFWSA-N 0 3 266.344 3.418 20 30 CGEDHN C[C@@H](NC[C@H]1Cc2ccccc2O1)c1cccc(C#N)c1 ZINC000038009703 369139726 /nfs/dbraw/zinc/13/97/26/369139726.db2.gz WVHJEINHSDVASI-CXAGYDPISA-N 0 3 278.355 3.213 20 30 CGEDHN C[C@H](CN1CCCCC1)Nc1ccc(Cl)cc1C#N ZINC000052857907 369473348 /nfs/dbraw/zinc/47/33/48/369473348.db2.gz ADQORUFSGJGBHX-GFCCVEGCSA-N 0 3 277.799 3.498 20 30 CGEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386555 369515988 /nfs/dbraw/zinc/51/59/88/369515988.db2.gz QGHSUZUQWUMEQS-XJKSGUPXSA-N 0 3 285.391 3.007 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000062016420 369614186 /nfs/dbraw/zinc/61/41/86/369614186.db2.gz JRCSIEQVBLLAOP-VHSXEESVSA-N 0 3 250.729 3.019 20 30 CGEDHN N#Cc1cccnc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000067948667 369736672 /nfs/dbraw/zinc/73/66/72/369736672.db2.gz LQXBXDPLJAOYJH-AWEZNQCLSA-N 0 3 298.415 3.264 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000090883593 370070061 /nfs/dbraw/zinc/07/00/61/370070061.db2.gz XFUKLAPSTIQSBK-LBPRGKRZSA-N 0 3 267.344 3.078 20 30 CGEDHN C=CC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000093359150 370118012 /nfs/dbraw/zinc/11/80/12/370118012.db2.gz OLGBUHHUXQNENY-UHFFFAOYSA-N 0 3 273.376 3.246 20 30 CGEDHN C=CCN(CC=C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000098129824 370266816 /nfs/dbraw/zinc/26/68/16/370266816.db2.gz AVIVFWUEVPGQIS-UHFFFAOYSA-N 0 3 284.403 3.097 20 30 CGEDHN C[C@@H]1SCCN(CCCC#N)[C@@H]1c1ccccc1 ZINC000118422166 370616937 /nfs/dbraw/zinc/61/69/37/370616937.db2.gz LUEXPMIJBCLOBT-ZFWWWQNUSA-N 0 3 260.406 3.469 20 30 CGEDHN CC[C@@H](c1ccncc1)N(C)CCOc1cccc(C#N)c1 ZINC000130147030 371013643 /nfs/dbraw/zinc/01/36/43/371013643.db2.gz BFUCQTQBMPLCFP-SFHVURJKSA-N 0 3 295.386 3.415 20 30 CGEDHN C=C[C@H](C)NCc1ccc(Br)c(C)c1 ZINC000130453196 371034744 /nfs/dbraw/zinc/03/47/44/371034744.db2.gz UYXFEBCONYMMKF-JTQLQIEISA-N 0 3 254.171 3.422 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C)CC1 ZINC000130465510 371036289 /nfs/dbraw/zinc/03/62/89/371036289.db2.gz JDRHQOFMINQNDM-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN COCc1ccc([C@H]2CCCN2CCCSCC#N)o1 ZINC000130795508 371060519 /nfs/dbraw/zinc/06/05/19/371060519.db2.gz DXXXBMQHVMEULY-CQSZACIVSA-N 0 3 294.420 3.210 20 30 CGEDHN COc1ccc(OCCN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000132238880 371160326 /nfs/dbraw/zinc/16/03/26/371160326.db2.gz WTZZMVPDTGRSPO-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN C=CCCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000132619513 371188558 /nfs/dbraw/zinc/18/85/58/371188558.db2.gz JNTSWZBQJOWQAJ-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)cccc2C)CC1 ZINC000136833514 371485242 /nfs/dbraw/zinc/48/52/42/371485242.db2.gz WRWCBNZGDPRODB-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C#CCCCCNCc1ccccc1OC(F)F ZINC000150731360 371534726 /nfs/dbraw/zinc/53/47/26/371534726.db2.gz JUEZQKMLCCWODD-UHFFFAOYSA-N 0 3 253.292 3.181 20 30 CGEDHN COc1ccccc1CCN(C)Cc1ccc(C#N)cc1 ZINC000353307038 220019467 /nfs/dbraw/zinc/01/94/67/220019467.db2.gz IUVHJWDBIAIVPZ-UHFFFAOYSA-N 0 3 280.371 3.241 20 30 CGEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000289525473 371756459 /nfs/dbraw/zinc/75/64/59/371756459.db2.gz PPHMMHALBIXTOR-MNOVXSKESA-N 0 3 298.308 3.034 20 30 CGEDHN C[C@H](Cc1ccncc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000337313882 214000216 /nfs/dbraw/zinc/00/02/16/214000216.db2.gz HGQZYUQEDIKGKT-OLZOCXBDSA-N 0 3 283.350 3.374 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CC=CCC1 ZINC000344066548 217035973 /nfs/dbraw/zinc/03/59/73/217035973.db2.gz PLYLSMKEAQYELS-HUUCEWRRSA-N 0 3 297.402 3.173 20 30 CGEDHN Cc1cnn([C@@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000290030022 371882760 /nfs/dbraw/zinc/88/27/60/371882760.db2.gz VSPWCIQHOKJTNU-WMLDXEAASA-N 0 3 280.375 3.071 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000156146596 371964215 /nfs/dbraw/zinc/96/42/15/371964215.db2.gz VRYNTIMWGKKBPU-QLFBSQMISA-N 0 3 266.429 3.062 20 30 CGEDHN C=C(C)CN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000157698934 372033166 /nfs/dbraw/zinc/03/31/66/372033166.db2.gz PKYVAWVTJAVKMJ-AWEZNQCLSA-N 0 3 282.428 3.141 20 30 CGEDHN C[C@H](CCn1cccn1)N[C@H](CCC#N)c1ccccc1 ZINC000159134717 372109384 /nfs/dbraw/zinc/10/93/84/372109384.db2.gz SWNRGPXBIIKDRV-NVXWUHKLSA-N 0 3 282.391 3.296 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000424195507 372079371 /nfs/dbraw/zinc/07/93/71/372079371.db2.gz DOXFRAXQWQTOBV-GXFFZTMASA-N 0 3 293.292 3.359 20 30 CGEDHN CC(C)OCCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000426426210 372157736 /nfs/dbraw/zinc/15/77/36/372157736.db2.gz VQMFJOJHRISXRR-UHFFFAOYSA-N 0 3 279.811 3.438 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1c(CC)nn(C)c1CC ZINC000426551533 372163028 /nfs/dbraw/zinc/16/30/28/372163028.db2.gz ZGMACLBKHRQVLK-CYBMUJFWSA-N 0 3 261.413 3.085 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(N(C)C(C)C)nc1 ZINC000426557217 372165363 /nfs/dbraw/zinc/16/53/63/372165363.db2.gz DSMJRGPKVZLZBW-INIZCTEOSA-N 0 3 273.424 3.467 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000428468013 372214164 /nfs/dbraw/zinc/21/41/64/372214164.db2.gz CFYXBDLZVVIFCL-HUUCEWRRSA-N 0 3 282.391 3.274 20 30 CGEDHN C#CCCCN(C)Cc1cc(Br)cs1 ZINC000161094542 372300060 /nfs/dbraw/zinc/30/00/60/372300060.db2.gz NGUUMSAXLDBHGY-UHFFFAOYSA-N 0 3 272.211 3.356 20 30 CGEDHN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1 ZINC000344301945 217140954 /nfs/dbraw/zinc/14/09/54/217140954.db2.gz VGZKZIXJOFIMLR-IUODEOHRSA-N 0 3 286.400 3.312 20 30 CGEDHN C=CCCOCCNCc1ccc(C(F)(F)F)s1 ZINC000428851163 372269003 /nfs/dbraw/zinc/26/90/03/372269003.db2.gz PXSDRZVFPMVHLJ-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccccc1OC(F)F ZINC000429704093 372377472 /nfs/dbraw/zinc/37/74/72/372377472.db2.gz UHSDFKCUJHCHLP-UHFFFAOYSA-N 0 3 298.377 3.228 20 30 CGEDHN CCOc1ccc(CNCC2(CC#N)CC2)cc1OCC ZINC000430071340 372383588 /nfs/dbraw/zinc/38/35/88/372383588.db2.gz NNAHTUJCGAWBTD-UHFFFAOYSA-N 0 3 288.391 3.267 20 30 CGEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162899396 372433605 /nfs/dbraw/zinc/43/36/05/372433605.db2.gz FAEGYGPRGYZRDE-CYBMUJFWSA-N 0 3 291.826 3.128 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1F ZINC000433109705 372581490 /nfs/dbraw/zinc/58/14/90/372581490.db2.gz LTZUKKPQTDEQOK-HNNXBMFYSA-N 0 3 296.345 3.214 20 30 CGEDHN C[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433118990 372582368 /nfs/dbraw/zinc/58/23/68/372582368.db2.gz DQJRSTJFFTYDMU-GOEBONIOSA-N 0 3 270.376 3.017 20 30 CGEDHN CCN(CC(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000433223355 372584178 /nfs/dbraw/zinc/58/41/78/372584178.db2.gz OOBADDROXRSYKQ-INIZCTEOSA-N 0 3 272.392 3.263 20 30 CGEDHN CN(C)Cc1ccccc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000433347819 372596811 /nfs/dbraw/zinc/59/68/11/372596811.db2.gz PUHIZOXCCMPRGS-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN N#Cc1c(F)cccc1NC[C@H]1CCCCN1C1CC1 ZINC000433794313 372631638 /nfs/dbraw/zinc/63/16/38/372631638.db2.gz SGJQXVDXSGEONC-CYBMUJFWSA-N 0 3 273.355 3.126 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000434586230 372692665 /nfs/dbraw/zinc/69/26/65/372692665.db2.gz MXXKDPUGLIUNRH-YOEHRIQHSA-N 0 3 270.376 3.017 20 30 CGEDHN CC1(C)COc2c1cccc2C(=O)C(C#N)c1ccccn1 ZINC000434629659 372696354 /nfs/dbraw/zinc/69/63/54/372696354.db2.gz RIUUQPGCPAMGQT-CYBMUJFWSA-N 0 3 292.338 3.242 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434984611 372722011 /nfs/dbraw/zinc/72/20/11/372722011.db2.gz YHCFRXCQOQJKCI-LBPRGKRZSA-N 0 3 257.337 3.210 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(C(C)C)s1 ZINC000435734977 372800064 /nfs/dbraw/zinc/80/00/64/372800064.db2.gz ZOWZACZSWBYTGB-WFASDCNBSA-N 0 3 280.437 3.337 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC[C@@H]1CCOC1 ZINC000438123802 372893683 /nfs/dbraw/zinc/89/36/83/372893683.db2.gz TYZDYCZUSRZAQU-NXHRZFHOSA-N 0 3 284.403 3.185 20 30 CGEDHN Cc1cccnc1CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000296241582 373063895 /nfs/dbraw/zinc/06/38/95/373063895.db2.gz CNCWNYQYYNZQND-CYBMUJFWSA-N 0 3 283.350 3.294 20 30 CGEDHN C[C@H](COc1ccc(F)cc1F)N[C@H]1CC[C@H](C#N)C1 ZINC000442777743 373077198 /nfs/dbraw/zinc/07/71/98/373077198.db2.gz ABZNWZKPCSZSAB-MDZLAQPJSA-N 0 3 280.318 3.014 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccccc2Cl)C1 ZINC000442828272 373098619 /nfs/dbraw/zinc/09/86/19/373098619.db2.gz QZIMVZUTNFGJTR-VXGBXAGGSA-N 0 3 264.756 3.001 20 30 CGEDHN CCCCCn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000442829538 373099649 /nfs/dbraw/zinc/09/96/49/373099649.db2.gz PNGPHWQFIXXTSJ-GOEBONIOSA-N 0 3 274.412 3.164 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C ZINC000173211405 373109683 /nfs/dbraw/zinc/10/96/83/373109683.db2.gz MWLCLAPZVOLRDT-SWLSCSKDSA-N 0 3 260.381 3.270 20 30 CGEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000443337896 373150353 /nfs/dbraw/zinc/15/03/53/373150353.db2.gz WCPLELAZGKVEFM-JKIFEVAISA-N 0 3 291.822 3.173 20 30 CGEDHN C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C ZINC000443515552 373157123 /nfs/dbraw/zinc/15/71/23/373157123.db2.gz BOEZPKFSXZIMQU-MNOVXSKESA-N 0 3 297.324 3.106 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000442903196 373124496 /nfs/dbraw/zinc/12/44/96/373124496.db2.gz XXTRCWZWGMTORW-COXVUDFISA-N 0 3 286.419 3.348 20 30 CGEDHN CC1(C)[C@H](NCc2ccc(Cl)cc2C#N)[C@H]2CCO[C@@H]21 ZINC000296429110 373130865 /nfs/dbraw/zinc/13/08/65/373130865.db2.gz VZQVDTCSPHCIQF-KFWWJZLASA-N 0 3 290.794 3.115 20 30 CGEDHN N#Cc1ccc(CNC[C@H](c2ccccc2)N2CCCC2)o1 ZINC000174238197 373272104 /nfs/dbraw/zinc/27/21/04/373272104.db2.gz JXNJCHSOCPKDKK-GOSISDBHSA-N 0 3 295.386 3.078 20 30 CGEDHN N#Cc1ccc(CNC[C@@H](c2ccccc2)N2CCCC2)o1 ZINC000174238214 373272530 /nfs/dbraw/zinc/27/25/30/373272530.db2.gz JXNJCHSOCPKDKK-SFHVURJKSA-N 0 3 295.386 3.078 20 30 CGEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C ZINC000444673151 373230079 /nfs/dbraw/zinc/23/00/79/373230079.db2.gz IBLZWZZBBBDZDX-RHSMWYFYSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C)(C)c1csc(CCNCc2ccc(C#N)o2)n1 ZINC000174359090 373299172 /nfs/dbraw/zinc/29/91/72/373299172.db2.gz QQENKDLZZOOBEO-UHFFFAOYSA-N 0 3 289.404 3.238 20 30 CGEDHN N#Cc1ccc(CN[C@H](Cc2ccccc2)C2CC2)o1 ZINC000174415313 373311280 /nfs/dbraw/zinc/31/12/80/373311280.db2.gz BDSUDPSLRNDQJH-QGZVFWFLSA-N 0 3 266.344 3.262 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(Cl)s2)o1 ZINC000174276472 373282927 /nfs/dbraw/zinc/28/29/27/373282927.db2.gz ROSPCWIRIZYYMH-UHFFFAOYSA-N 0 3 266.753 3.198 20 30 CGEDHN COc1ccccc1O[C@H](C)CNCc1ccc(C#N)cc1 ZINC000174607518 373344274 /nfs/dbraw/zinc/34/42/74/373344274.db2.gz KEEFNVZKYUQTFP-CQSZACIVSA-N 0 3 296.370 3.124 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnn(CC)c2)CCCC1(C)C ZINC000446837333 373369458 /nfs/dbraw/zinc/36/94/58/373369458.db2.gz YZWHKUZUYDTGDT-HNNXBMFYSA-N 0 3 261.413 3.470 20 30 CGEDHN C=CCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000175153446 373418071 /nfs/dbraw/zinc/41/80/71/373418071.db2.gz PPGLHAXHFDUSBJ-UHFFFAOYSA-N 0 3 286.419 3.077 20 30 CGEDHN CCS[C@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000175870201 373531261 /nfs/dbraw/zinc/53/12/61/373531261.db2.gz WQYDRIJJEKMSMW-KBPBESRZSA-N 0 3 264.394 3.305 20 30 CGEDHN N#Cc1c(F)cccc1N1CCN(C2CCCCC2)CC1 ZINC000301060041 373642324 /nfs/dbraw/zinc/64/23/24/373642324.db2.gz BNFVLORMFQAWLM-UHFFFAOYSA-N 0 3 287.382 3.152 20 30 CGEDHN C=CCN1CCC(NC(=O)C2=C(C)CC(C)(C)CC2)CC1 ZINC000448922307 373649561 /nfs/dbraw/zinc/64/95/61/373649561.db2.gz QFLCRGJQLRMULD-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN COc1cc(CN2C[C@H](C)CC[C@H]2C)ccc1C#N ZINC000300115132 373620180 /nfs/dbraw/zinc/62/01/80/373620180.db2.gz CCATXZQKULHXFW-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000449406487 373685958 /nfs/dbraw/zinc/68/59/58/373685958.db2.gz XRITUFQLFNQCSE-GFCCVEGCSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1nnc(C(C)C)[nH]1 ZINC000449406487 373685972 /nfs/dbraw/zinc/68/59/72/373685972.db2.gz XRITUFQLFNQCSE-GFCCVEGCSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCOc1ccccc1CNCC1(CF)CCOCC1 ZINC000449485761 373776180 /nfs/dbraw/zinc/77/61/80/373776180.db2.gz OQKBHFXREYDTFM-UHFFFAOYSA-N 0 3 293.382 3.107 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc2nc(C)sc2c1 ZINC000449548633 373829752 /nfs/dbraw/zinc/82/97/52/373829752.db2.gz PCYVEERDRXLJCI-HIFRSBDPSA-N 0 3 288.416 3.428 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)c(F)c1 ZINC000449548679 373830103 /nfs/dbraw/zinc/83/01/03/373830103.db2.gz PQJAWIOWGLSIOJ-KGLIPLIRSA-N 0 3 269.747 3.302 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Br)cc1 ZINC000449547648 373830530 /nfs/dbraw/zinc/83/05/30/373830530.db2.gz JGSSTMMFQGUFIU-KGLIPLIRSA-N 0 3 296.208 3.272 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc2ccccc2n1 ZINC000449549588 373831479 /nfs/dbraw/zinc/83/14/79/373831479.db2.gz ZIXXKTKYNXSCOJ-SJORKVTESA-N 0 3 268.360 3.058 20 30 CGEDHN CCCc1ncc(CNC2CCC(C)(C#N)CC2)o1 ZINC000449618640 373835939 /nfs/dbraw/zinc/83/59/39/373835939.db2.gz BLMAWAAKHBBVKU-UHFFFAOYSA-N 0 3 261.369 3.189 20 30 CGEDHN CCO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000449497974 373793477 /nfs/dbraw/zinc/79/34/77/373793477.db2.gz KXHAKMHOVHYRKQ-PBHICJAKSA-N 0 3 272.392 3.114 20 30 CGEDHN C=C(C)CN[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000180033169 373957422 /nfs/dbraw/zinc/95/74/22/373957422.db2.gz KOVUINAMOGBDDZ-BXUZGUMPSA-N 0 3 274.364 3.023 20 30 CGEDHN C=CCN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179689904 373905341 /nfs/dbraw/zinc/90/53/41/373905341.db2.gz QPQFOZLOGUIXPV-AWEZNQCLSA-N 0 3 268.360 3.497 20 30 CGEDHN CC(C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000180448649 374008581 /nfs/dbraw/zinc/00/85/81/374008581.db2.gz RDFVBNLCSCSNJD-UHFFFAOYSA-N 0 3 293.798 3.269 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000180456182 374011373 /nfs/dbraw/zinc/01/13/73/374011373.db2.gz KJKCCQXPWMTITP-LBPRGKRZSA-N 0 3 278.421 3.215 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CCCCC1 ZINC000449937819 373976912 /nfs/dbraw/zinc/97/69/12/373976912.db2.gz DAZHYIFHBLBYEL-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CCCCC1 ZINC000450102229 373988622 /nfs/dbraw/zinc/98/86/22/373988622.db2.gz DTUNOYYDAHYMOP-HOCLYGCPSA-N 0 3 290.451 3.112 20 30 CGEDHN C#CCSCCN[C@@H]1CCCc2nc(CC)sc21 ZINC000181101357 374081040 /nfs/dbraw/zinc/08/10/40/374081040.db2.gz MJBIIWNXLUJUSD-LLVKDONJSA-N 0 3 280.462 3.039 20 30 CGEDHN CCC(CC)[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305824262 374117052 /nfs/dbraw/zinc/11/70/52/374117052.db2.gz QJBGGTNIDZCZFD-BZNIZROVSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC1(C#N)CCC1 ZINC000450430057 374123558 /nfs/dbraw/zinc/12/35/58/374123558.db2.gz OVCYRRPVGYEKIA-KRWDZBQOSA-N 0 3 297.446 3.277 20 30 CGEDHN C=CCN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181149608 374086231 /nfs/dbraw/zinc/08/62/31/374086231.db2.gz DYIFEAXALDIXIN-CYBMUJFWSA-N 0 3 255.365 3.237 20 30 CGEDHN C=CCN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181149608 374086240 /nfs/dbraw/zinc/08/62/40/374086240.db2.gz DYIFEAXALDIXIN-CYBMUJFWSA-N 0 3 255.365 3.237 20 30 CGEDHN N#Cc1cc(F)ccc1CN[C@H](CCO)C1CCCCC1 ZINC000181503582 374132684 /nfs/dbraw/zinc/13/26/84/374132684.db2.gz QKTQRWFFYHZXGG-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000316121558 374331696 /nfs/dbraw/zinc/33/16/96/374331696.db2.gz DHBKJZFQSURVLW-CABCVRRESA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@](C#N)(NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000328853417 374387209 /nfs/dbraw/zinc/38/72/09/374387209.db2.gz JEVWQHKONHMSOF-CKEIUWERSA-N 0 3 289.423 3.146 20 30 CGEDHN COc1c(C)cnc(CN(C)CC(C)(C)CCC#N)c1C ZINC000183782917 374455123 /nfs/dbraw/zinc/45/51/23/374455123.db2.gz CQPWUAYSPXCTLQ-UHFFFAOYSA-N 0 3 289.423 3.469 20 30 CGEDHN C[C@@H](C#N)CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000183818243 374460762 /nfs/dbraw/zinc/46/07/62/374460762.db2.gz LSSGAFLUNDINRQ-ZDUSSCGKSA-N 0 3 291.826 3.054 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2C2CCOCC2)c1 ZINC000334458234 374768063 /nfs/dbraw/zinc/76/80/63/374768063.db2.gz QUPDIRXFXOPPTN-QGZVFWFLSA-N 0 3 288.366 3.088 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CCCC1 ZINC000334565655 374865386 /nfs/dbraw/zinc/86/53/86/374865386.db2.gz QBTCRSRZQUNYMG-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](CC)c1ccc(Cl)s1 ZINC000186709497 374903869 /nfs/dbraw/zinc/90/38/69/374903869.db2.gz JTGJFMORNSBNBK-ZJUUUORDSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1sc(C(C)C)nc1C ZINC000186708195 374904452 /nfs/dbraw/zinc/90/44/52/374904452.db2.gz WUQMSUWXMMSWES-CMPLNLGQSA-N 0 3 268.426 3.163 20 30 CGEDHN C=C(C)[C@@H](NCC[C@H]1CCOC1=O)c1ccc(F)c(F)c1 ZINC000187777845 375093479 /nfs/dbraw/zinc/09/34/79/375093479.db2.gz QSLATUJSAQBGSJ-XHDPSFHLSA-N 0 3 295.329 3.125 20 30 CGEDHN C=CCN(CCOC)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000483428628 375181764 /nfs/dbraw/zinc/18/17/64/375181764.db2.gz DHYADQOHFTUNMK-UHFFFAOYSA-N 0 3 289.419 3.425 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000188544076 375228956 /nfs/dbraw/zinc/22/89/56/375228956.db2.gz UJZWQDLFAXITBG-PBHICJAKSA-N 0 3 272.392 3.336 20 30 CGEDHN Cc1cc(F)ccc1CN(C)CCCSCC#N ZINC000488006527 375293619 /nfs/dbraw/zinc/29/36/19/375293619.db2.gz GJCWIKAJLZFJQL-UHFFFAOYSA-N 0 3 266.385 3.213 20 30 CGEDHN C=CCCCCCN1CCN(C(=O)C2CC2)CC1(C)C ZINC000488162802 375305354 /nfs/dbraw/zinc/30/53/54/375305354.db2.gz NUSAVBQWFVPQTQ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C[C@H]1N(Cc2cccc(C#N)c2F)CCC12CCOCC2 ZINC000335467939 375313555 /nfs/dbraw/zinc/31/35/55/375313555.db2.gz AOIVPAGXWMDMQW-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN COc1ccc(CC(C)(C)NCc2ccc(C#N)o2)cc1 ZINC000189452026 375389818 /nfs/dbraw/zinc/38/98/18/375389818.db2.gz WZSUOZQAYXLDKS-UHFFFAOYSA-N 0 3 284.359 3.271 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)c(Cl)c1 ZINC000335742835 375393634 /nfs/dbraw/zinc/39/36/34/375393634.db2.gz AXPMOKGQNKQGBE-CQSZACIVSA-N 0 3 298.773 3.174 20 30 CGEDHN N#Cc1ccc(CN[C@H]2Cc3cccc(O)c3C2)c(Cl)c1 ZINC000335742834 375393861 /nfs/dbraw/zinc/39/38/61/375393861.db2.gz AXPMOKGQNKQGBE-AWEZNQCLSA-N 0 3 298.773 3.174 20 30 CGEDHN Cc1cncc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000335721636 375375154 /nfs/dbraw/zinc/37/51/54/375375154.db2.gz CMLLPMJAGNQGHH-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2C2CCOCC2)c1F ZINC000335732562 375385993 /nfs/dbraw/zinc/38/59/93/375385993.db2.gz DVPAKFFNTYTYCL-MRXNPFEDSA-N 0 3 288.366 3.088 20 30 CGEDHN Cc1ccn(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000190786447 375539059 /nfs/dbraw/zinc/53/90/59/375539059.db2.gz ZOVCWVUDKPBHAT-NSHDSACASA-N 0 3 287.388 3.404 20 30 CGEDHN Cc1ccn(C)c1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000190786447 375539069 /nfs/dbraw/zinc/53/90/69/375539069.db2.gz ZOVCWVUDKPBHAT-NSHDSACASA-N 0 3 287.388 3.404 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](C2CC2)C1 ZINC000494755053 375491847 /nfs/dbraw/zinc/49/18/47/375491847.db2.gz AWKUNNSKCBHIGP-MSOLQXFVSA-N 0 3 296.414 3.408 20 30 CGEDHN C=CCN(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000494706470 375492590 /nfs/dbraw/zinc/49/25/90/375492590.db2.gz FDUCLGKVCUAPKD-INIZCTEOSA-N 0 3 291.435 3.150 20 30 CGEDHN Cn1cc(CN2CCC[C@@H]2c2cccs2)cc1C#N ZINC000191183537 375590920 /nfs/dbraw/zinc/59/09/20/375590920.db2.gz MBHNGMBHAYPHSX-CQSZACIVSA-N 0 3 271.389 3.295 20 30 CGEDHN CCCC1CCC(N(C)CC(=O)N(CC)CCC#N)CC1 ZINC000191420478 375626841 /nfs/dbraw/zinc/62/68/41/375626841.db2.gz NXZVMDZGXBUNFN-UHFFFAOYSA-N 0 3 293.455 3.039 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000335998071 375604682 /nfs/dbraw/zinc/60/46/82/375604682.db2.gz LWGWNXVROKYMOW-GZMMTYOYSA-N 0 3 280.780 3.153 20 30 CGEDHN CCCOc1ccc(CNCc2cc(C#N)n(C)c2)c(C)c1 ZINC000191623958 375646060 /nfs/dbraw/zinc/64/60/60/375646060.db2.gz JBOPTJOWQAUWBH-UHFFFAOYSA-N 0 3 297.402 3.284 20 30 CGEDHN N#CCCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192074393 375696593 /nfs/dbraw/zinc/69/65/93/375696593.db2.gz GFYCJPPIAQPFKN-ZIAGYGMSSA-N 0 3 282.746 3.202 20 30 CGEDHN C=C(C)CCN1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000508991684 375766475 /nfs/dbraw/zinc/76/64/75/375766475.db2.gz QHZBLVIGXVQXIH-OAHLLOKOSA-N 0 3 276.399 3.471 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000336291283 375772446 /nfs/dbraw/zinc/77/24/46/375772446.db2.gz ASPIOHJIFTUEHA-DZGCQCFKSA-N 0 3 288.366 3.361 20 30 CGEDHN C=C(C)CCN(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000509373689 375779550 /nfs/dbraw/zinc/77/95/50/375779550.db2.gz PMBRZXMTWSIPOE-OAHLLOKOSA-N 0 3 288.435 3.454 20 30 CGEDHN CC[C@@H](CC#N)NCCCOc1c(C)cccc1C ZINC000516489073 375820744 /nfs/dbraw/zinc/82/07/44/375820744.db2.gz VPIFETKIRMCZRH-HNNXBMFYSA-N 0 3 260.381 3.354 20 30 CGEDHN C=CCCCCCN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000193528649 375891175 /nfs/dbraw/zinc/89/11/75/375891175.db2.gz OXYRQWWMXJOBCO-MRXNPFEDSA-N 0 3 295.448 3.108 20 30 CGEDHN N#CC(C(=O)C1CCc2ccccc2CC1)c1ccccn1 ZINC000528920884 375914377 /nfs/dbraw/zinc/91/43/77/375914377.db2.gz PICSGVVLLAHIIB-QGZVFWFLSA-N 0 3 290.366 3.453 20 30 CGEDHN C[C@@H]1[C@H](Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000336710779 375914625 /nfs/dbraw/zinc/91/46/25/375914625.db2.gz KWKQOFWWJDMPOH-RHSMWYFYSA-N 0 3 292.386 3.028 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccc(C)c(C)c2)C1=O ZINC000337145229 376099851 /nfs/dbraw/zinc/09/98/51/376099851.db2.gz XGSFCUQWOCXQSO-ZWKOTPCHSA-N 0 3 298.430 3.227 20 30 CGEDHN C=CCN1CC[C@H](N(Cc2ccccc2)C(C)(C)C)C1=O ZINC000337145084 376101006 /nfs/dbraw/zinc/10/10/06/376101006.db2.gz DKDIUVODBCVRPR-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@H](N(C)C2CCC(CCC)CC2)C1=O ZINC000337262973 376175058 /nfs/dbraw/zinc/17/50/58/376175058.db2.gz WWGZFAZRZFPJDI-GPANFISMSA-N 0 3 278.440 3.064 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000338026931 376254790 /nfs/dbraw/zinc/25/47/90/376254790.db2.gz LFMGLYNNGXPOQF-FFSVYQOJSA-N 0 3 288.366 3.494 20 30 CGEDHN C[C@@H](NCC[S@](=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000338351933 376345236 /nfs/dbraw/zinc/34/52/36/376345236.db2.gz DEZFAOYVCAEYAY-SZNDQCEHSA-N 0 3 298.411 3.017 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(C#N)cc1 ZINC000338356337 376346714 /nfs/dbraw/zinc/34/67/14/376346714.db2.gz UTOMHVILICRTIW-LBPRGKRZSA-N 0 3 279.318 3.420 20 30 CGEDHN CS[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000227597643 376401089 /nfs/dbraw/zinc/40/10/89/376401089.db2.gz BYTVPKPQWYFSGB-KBPBESRZSA-N 0 3 278.396 3.461 20 30 CGEDHN CCCCN(CC#Cc1ccccc1Cl)CCCO ZINC000540427398 376374265 /nfs/dbraw/zinc/37/42/65/376374265.db2.gz TVMVGLYRHVSVGT-UHFFFAOYSA-N 0 3 279.811 3.176 20 30 CGEDHN C[C@H](NC[C@H](O)CC1CCCC1)c1ccc(C#N)cc1 ZINC000232129242 376577798 /nfs/dbraw/zinc/57/77/98/376577798.db2.gz UTUKIWGSMKWMMW-SUMWQHHRSA-N 0 3 272.392 3.150 20 30 CGEDHN C=CCSCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000542826811 376582571 /nfs/dbraw/zinc/58/25/71/376582571.db2.gz GUVZEVLCYQSZIE-GFCCVEGCSA-N 0 3 280.393 3.473 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000542849850 376586292 /nfs/dbraw/zinc/58/62/92/376586292.db2.gz KLBNRIQZXPMAHW-UHFFFAOYSA-N 0 3 298.365 3.341 20 30 CGEDHN Cc1nn(-c2ccccc2)cc1CN1CCC(CC#N)CC1 ZINC000542855148 376587685 /nfs/dbraw/zinc/58/76/85/376587685.db2.gz YINKBVPGEKQGSL-UHFFFAOYSA-N 0 3 294.402 3.306 20 30 CGEDHN COc1cc(CN(C)CCc2ccccc2)ccc1C#N ZINC000234922326 376624888 /nfs/dbraw/zinc/62/48/88/376624888.db2.gz MTOJYQLRBINGRB-UHFFFAOYSA-N 0 3 280.371 3.241 20 30 CGEDHN Cc1cc(C)n(CCN(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000264554301 190118180 /nfs/dbraw/zinc/11/81/80/190118180.db2.gz KRYDMXRSDDIHDG-UHFFFAOYSA-N 0 3 294.402 3.036 20 30 CGEDHN CC(C)N1CCCC[C@H]1CSc1cc(C#N)ccn1 ZINC000339113806 376687702 /nfs/dbraw/zinc/68/77/02/376687702.db2.gz HPBNJPQLXJWJEM-AWEZNQCLSA-N 0 3 275.421 3.308 20 30 CGEDHN C[C@@H](CNc1ncc(C#N)cc1Cl)N1CCCC[C@@H]1C ZINC000339135585 376701676 /nfs/dbraw/zinc/70/16/76/376701676.db2.gz FKFWKYWAZBXQRA-RYUDHWBXSA-N 0 3 292.814 3.281 20 30 CGEDHN C=CCOCCN(C)[C@H](CC)c1ccccc1OC ZINC000339206872 376734791 /nfs/dbraw/zinc/73/47/91/376734791.db2.gz WBKRXLHWUKZXAG-OAHLLOKOSA-N 0 3 263.381 3.281 20 30 CGEDHN C=CCCCCCN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245587426 376862273 /nfs/dbraw/zinc/86/22/73/376862273.db2.gz FGJIVVFEHAVXRB-HUUCEWRRSA-N 0 3 287.469 3.020 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C)[C@@H]1C ZINC000245896483 376926711 /nfs/dbraw/zinc/92/67/11/376926711.db2.gz KLVCECUYFDIOHA-OLZOCXBDSA-N 0 3 258.365 3.187 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000562303684 377292632 /nfs/dbraw/zinc/29/26/32/377292632.db2.gz JWDPVMCMUGEUDN-ZYHUDNBSSA-N 0 3 296.317 3.078 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCCC[C@@H]1O ZINC000567990316 377511347 /nfs/dbraw/zinc/51/13/47/377511347.db2.gz SLKPHBFGVJPPGN-HOTGVXAUSA-N 0 3 266.429 3.189 20 30 CGEDHN C[C@H](NCCOCC1CCCC1)c1cccc(C#N)c1 ZINC000313261088 249090332 /nfs/dbraw/zinc/09/03/32/249090332.db2.gz IAJQMSNYRHLVFO-AWEZNQCLSA-N 0 3 272.392 3.416 20 30 CGEDHN CN(C(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000572245793 377547872 /nfs/dbraw/zinc/54/78/72/377547872.db2.gz CBOSRMXDGXWDGW-AWEZNQCLSA-N 0 3 258.365 3.016 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccc(Br)cn1 ZINC000342294518 377639107 /nfs/dbraw/zinc/63/91/07/377639107.db2.gz HOKYRWWSBNVRCQ-UHFFFAOYSA-N 0 3 296.212 3.264 20 30 CGEDHN N#CC(C(=O)c1ccoc1C1CC1)c1ccccn1 ZINC000342650645 377712791 /nfs/dbraw/zinc/71/27/91/377712791.db2.gz XURAAVOCOMJXLY-GFCCVEGCSA-N 0 3 252.273 3.042 20 30 CGEDHN N#CCC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000260391704 377808850 /nfs/dbraw/zinc/80/88/50/377808850.db2.gz FEAQLRNECGEKGM-UHFFFAOYSA-N 0 3 278.783 3.344 20 30 CGEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(CC2(C#N)CC2)C1 ZINC000343320817 377951546 /nfs/dbraw/zinc/95/15/46/377951546.db2.gz MVMHDYTXOHEEQC-LSDHHAIUSA-N 0 3 254.377 3.477 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1C(F)F ZINC000343378695 377963459 /nfs/dbraw/zinc/96/34/59/377963459.db2.gz FTBFJFUSGFCUCV-KGLIPLIRSA-N 0 3 292.329 3.015 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1C(F)F ZINC000343378697 377963686 /nfs/dbraw/zinc/96/36/86/377963686.db2.gz FTBFJFUSGFCUCV-ZIAGYGMSSA-N 0 3 292.329 3.015 20 30 CGEDHN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000264593529 377989672 /nfs/dbraw/zinc/98/96/72/377989672.db2.gz HIIIYKZFOFNPFC-AWEZNQCLSA-N 0 3 296.370 3.488 20 30 CGEDHN C=C(CNCc1ccc(C#N)s1)c1ccccc1 ZINC000343756189 378084473 /nfs/dbraw/zinc/08/44/73/378084473.db2.gz ATJGNDFNZCYAPR-UHFFFAOYSA-N 0 3 254.358 3.423 20 30 CGEDHN CN(Cc1cccc(C#N)c1F)C[C@H]1CC=CCC1 ZINC000344012442 378154419 /nfs/dbraw/zinc/15/44/19/378154419.db2.gz CARMPVQWJHENSO-ZDUSSCGKSA-N 0 3 258.340 3.485 20 30 CGEDHN C=C(CNCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000343783639 378090406 /nfs/dbraw/zinc/09/04/06/378090406.db2.gz OLLHFTJQLVDQJI-UHFFFAOYSA-N 0 3 288.354 3.009 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCC1 ZINC000579958067 378211780 /nfs/dbraw/zinc/21/17/80/378211780.db2.gz PPNQCSZTXWAXBR-UHFFFAOYSA-N 0 3 273.336 3.088 20 30 CGEDHN CC(C)(C)SCCNCc1ccc(C#N)cc1F ZINC000269407386 378217914 /nfs/dbraw/zinc/21/79/14/378217914.db2.gz HZMFVWLDWJFJQU-UHFFFAOYSA-N 0 3 266.385 3.319 20 30 CGEDHN CC[C@H](NCCOCC1CCC1)c1ccc(C#N)cc1 ZINC000582221102 378294915 /nfs/dbraw/zinc/29/49/15/378294915.db2.gz MPBHKDZQDLYNLE-KRWDZBQOSA-N 0 3 272.392 3.416 20 30 CGEDHN C[C@H](C[C@H](O)c1ccccc1)NCc1ccc(C#N)cc1F ZINC000270672369 378385854 /nfs/dbraw/zinc/38/58/54/378385854.db2.gz QQGUSDRLQCCIPP-ACJLOTCBSA-N 0 3 298.361 3.299 20 30 CGEDHN C=CCCC[C@@H](C)N1CC[S@](=O)C(CC)(CC)C1 ZINC000346034991 378445743 /nfs/dbraw/zinc/44/57/43/378445743.db2.gz SLDMJZRXRFKPBH-KDOFPFPSSA-N 0 3 271.470 3.354 20 30 CGEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000346128839 378471555 /nfs/dbraw/zinc/47/15/55/378471555.db2.gz KEMDDWVZKRYXKI-RLCCDNCMSA-N 0 3 276.355 3.306 20 30 CGEDHN N#CC(C(=O)c1cc(F)c2ccccc2c1)c1ccncn1 ZINC000345998323 378435448 /nfs/dbraw/zinc/43/54/48/378435448.db2.gz VIRPBIDNKAQDGM-CQSZACIVSA-N 0 3 291.285 3.259 20 30 CGEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000346128844 378471842 /nfs/dbraw/zinc/47/18/42/378471842.db2.gz KEMDDWVZKRYXKI-XFBWCDHKSA-N 0 3 276.355 3.306 20 30 CGEDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346175004 378492213 /nfs/dbraw/zinc/49/22/13/378492213.db2.gz JFORUNJUVNTCBO-KNXALSJPSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@H](NC[C@@H]1CCCS1)c1ccc(C#N)c(F)c1 ZINC000346222969 378509414 /nfs/dbraw/zinc/50/94/14/378509414.db2.gz WAVCRZGZNQZYNM-GWCFXTLKSA-N 0 3 264.369 3.244 20 30 CGEDHN C[C@H](NC[C@]1(C)CCCC[C@@H]1O)c1ccc(C#N)c(F)c1 ZINC000271927937 378519557 /nfs/dbraw/zinc/51/95/57/378519557.db2.gz HCYCLKAJXVSADS-ZLIFDBKOSA-N 0 3 290.382 3.289 20 30 CGEDHN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C(C)C#N)cc1 ZINC000346666565 378668203 /nfs/dbraw/zinc/66/82/03/378668203.db2.gz YMEPMHMDMJMLJP-YCPHGPKFSA-N 0 3 270.376 3.454 20 30 CGEDHN CC(C)O[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000274218408 378793135 /nfs/dbraw/zinc/79/31/35/378793135.db2.gz NBFDRUCXSNABCD-KBPBESRZSA-N 0 3 278.421 3.301 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000274218412 378793513 /nfs/dbraw/zinc/79/35/13/378793513.db2.gz NBFDRUCXSNABCD-UONOGXRCSA-N 0 3 278.421 3.301 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CCC3)C2)cc1F ZINC000348181754 378825614 /nfs/dbraw/zinc/82/56/14/378825614.db2.gz OURNSFIRHZIXMR-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN C=CCC[C@H](C)NCc1nc2cc(C)ccc2n1C ZINC000274401036 378826465 /nfs/dbraw/zinc/82/64/65/378826465.db2.gz GSWCWZXNZCZNMX-ZDUSSCGKSA-N 0 3 257.381 3.326 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(COCCOC)cc1 ZINC000348356346 378925215 /nfs/dbraw/zinc/92/52/15/378925215.db2.gz MWYVGAXPDHARPR-GOSISDBHSA-N 0 3 289.419 3.390 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)NC(C)(C)c1cccs1 ZINC000348358949 378926063 /nfs/dbraw/zinc/92/60/63/378926063.db2.gz MHYWWUZJXJTQQI-ZDUSSCGKSA-N 0 3 292.448 3.162 20 30 CGEDHN CCC(O)(CC)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000276660480 378976112 /nfs/dbraw/zinc/97/61/12/378976112.db2.gz NPSFFEKAEYLILJ-GFCCVEGCSA-N 0 3 278.371 3.289 20 30 CGEDHN N#Cc1ccccc1OCCN[C@H](c1cccnc1)C1CC1 ZINC000347374576 218211166 /nfs/dbraw/zinc/21/11/66/218211166.db2.gz WQFZSMSZHQDPJG-SFHVURJKSA-N 0 3 293.370 3.073 20 30 CGEDHN C#CCCN(CCc1ccccc1)Cc1cccnc1 ZINC000277166600 379087249 /nfs/dbraw/zinc/08/72/49/379087249.db2.gz XXYUFLMPVUHGMI-UHFFFAOYSA-N 0 3 264.372 3.150 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnc3cnccn23)CCCC1(C)C ZINC000278736294 194129266 /nfs/dbraw/zinc/12/92/66/194129266.db2.gz QXYLDBIFXJYWFO-HNNXBMFYSA-N 0 3 284.407 3.296 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2c3c(nn2C)CCCC3)C1 ZINC000639309461 379258192 /nfs/dbraw/zinc/25/81/92/379258192.db2.gz LSWMGQNWVSWRTH-CQSZACIVSA-N 0 3 273.424 3.087 20 30 CGEDHN CCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349814896 379395928 /nfs/dbraw/zinc/39/59/28/379395928.db2.gz WSRCXFZESKRTEC-CABCVRRESA-N 0 3 258.365 3.257 20 30 CGEDHN N#Cc1cccc(OCCN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278951870 194226542 /nfs/dbraw/zinc/22/65/42/194226542.db2.gz YVQZWTUPEXECDV-CYBMUJFWSA-N 0 3 298.308 3.211 20 30 CGEDHN C=CCN[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374853002 379480103 /nfs/dbraw/zinc/48/01/03/379480103.db2.gz DMAFFEAZZMVWBH-HIFRSBDPSA-N 0 3 284.325 3.015 20 30 CGEDHN C=CCN[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374853003 379480311 /nfs/dbraw/zinc/48/03/11/379480311.db2.gz DMAFFEAZZMVWBH-UKRRQHHQSA-N 0 3 284.325 3.015 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1oc(-c2ccccc2)nc1C ZINC000639666557 379537423 /nfs/dbraw/zinc/53/74/23/379537423.db2.gz UYNLDWOEBOKAPN-CABCVRRESA-N 0 3 284.359 3.083 20 30 CGEDHN CCC#C[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000639907967 379639070 /nfs/dbraw/zinc/63/90/70/379639070.db2.gz YLUOAGZSQSUTJG-XZJROXQQSA-N 0 3 279.330 3.186 20 30 CGEDHN C[C@H](COc1cccc(F)c1)NCc1ccc(C#N)s1 ZINC000267155601 190307198 /nfs/dbraw/zinc/30/71/98/190307198.db2.gz DKHJGRFTYOTFDD-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(Cl)cn1 ZINC000280910317 379809577 /nfs/dbraw/zinc/80/95/77/379809577.db2.gz RZJWZPUMGSLIEB-XUJVJEKNSA-N 0 3 280.799 3.367 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nc2ccccc2n1C ZINC000280900617 379809624 /nfs/dbraw/zinc/80/96/24/379809624.db2.gz RCGXLSKOECQKCT-VBQJREDUSA-N 0 3 299.418 3.205 20 30 CGEDHN C=CCSCCNCc1ccnn1-c1ccc(F)cc1 ZINC000280808730 379795817 /nfs/dbraw/zinc/79/58/17/379795817.db2.gz HXQLIGGCPSIVRQ-UHFFFAOYSA-N 0 3 291.395 3.020 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnc(C)nc2)CCCC1(C)C ZINC000352409180 379801613 /nfs/dbraw/zinc/80/16/13/379801613.db2.gz YBLIZFUUKRKRAR-HNNXBMFYSA-N 0 3 259.397 3.352 20 30 CGEDHN C=CC[C@H](CC)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000281641281 379842077 /nfs/dbraw/zinc/84/20/77/379842077.db2.gz PAEANKOCJGLBFE-GJZGRUSLSA-N 0 3 295.448 3.102 20 30 CGEDHN COCC1(C)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000442907797 284810020 /nfs/dbraw/zinc/81/00/20/284810020.db2.gz ZZTNRWCBKVBUBJ-AWEZNQCLSA-N 0 3 272.392 3.368 20 30 CGEDHN CC[C@H]1CN([C@@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522362 380149680 /nfs/dbraw/zinc/14/96/80/380149680.db2.gz ALGHUKKJVRDLPH-WMZOPIPTSA-N 0 3 285.435 3.275 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000411465262 380146722 /nfs/dbraw/zinc/14/67/22/380146722.db2.gz WGQDCCWXVACOPQ-KGLIPLIRSA-N 0 3 268.364 3.215 20 30 CGEDHN N#Cc1csc(CNCC2(C(F)(F)F)CCC2)c1 ZINC000353087616 380108944 /nfs/dbraw/zinc/10/89/44/380108944.db2.gz ONYHEJBLJDNNBP-UHFFFAOYSA-N 0 3 274.311 3.442 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(OC2CCCC2)CC1 ZINC000411208004 380133969 /nfs/dbraw/zinc/13/39/69/380133969.db2.gz KBKOIWIMUUCDBU-ZDUSSCGKSA-N 0 3 250.386 3.102 20 30 CGEDHN CCN(Cc1ccc(C#N)o1)[C@@H](COC)Cc1ccccc1 ZINC000354062377 380306127 /nfs/dbraw/zinc/30/61/27/380306127.db2.gz ZGIUNEAMFPAJLM-MRXNPFEDSA-N 0 3 298.386 3.231 20 30 CGEDHN C=CCCC1(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000354559711 380485173 /nfs/dbraw/zinc/48/51/73/380485173.db2.gz BIPBEARJOGFVDC-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC(C)(C)CNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416236425 380526703 /nfs/dbraw/zinc/52/67/03/380526703.db2.gz AYZQCDXTQAVECP-MRXNPFEDSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CC[C@@H]1N(Cc2cc(C)nn2C)CCCC1(C)C ZINC000418032391 380694244 /nfs/dbraw/zinc/69/42/44/380694244.db2.gz LWUAPIRZYHDAPA-HNNXBMFYSA-N 0 3 261.413 3.295 20 30 CGEDHN C[C@@H]1[C@H](C)CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1C ZINC000419371946 380817293 /nfs/dbraw/zinc/81/72/93/380817293.db2.gz LSROQVLTGXQFNC-UPJWGTAASA-N 0 3 296.374 3.085 20 30 CGEDHN C[C@@H]1CCC[C@H](C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000357730189 381268062 /nfs/dbraw/zinc/26/80/62/381268062.db2.gz ADQUMLOBFRIDOV-UONOGXRCSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCN(CC(=C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000358486056 381311223 /nfs/dbraw/zinc/31/12/23/381311223.db2.gz CHKFDBUIDSRGDS-OAHLLOKOSA-N 0 3 297.406 3.178 20 30 CGEDHN C=C(CC)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000358623862 381319491 /nfs/dbraw/zinc/31/94/91/381319491.db2.gz JDUBEVKXIWZCPE-OAHLLOKOSA-N 0 3 288.439 3.150 20 30 CGEDHN C=CCCCCNCc1nccn1-c1ccccc1 ZINC000359686920 381362182 /nfs/dbraw/zinc/36/21/82/381362182.db2.gz OIEBUYGQYZHHFR-UHFFFAOYSA-N 0 3 255.365 3.318 20 30 CGEDHN C=CCCC(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000359808249 381368121 /nfs/dbraw/zinc/36/81/21/381368121.db2.gz QRRJHONYMOKNQN-UHFFFAOYSA-N 0 3 278.440 3.210 20 30 CGEDHN N#Cc1ccc2ncc(CN[C@H]3C[C@H]3C3CCCCC3)n2c1 ZINC000360017486 381412906 /nfs/dbraw/zinc/41/29/06/381412906.db2.gz DANXWCZOVZUAQF-IRXDYDNUSA-N 0 3 294.402 3.264 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000359952026 381385522 /nfs/dbraw/zinc/38/55/22/381385522.db2.gz HRSDSVZSKHXJSI-GWCFXTLKSA-N 0 3 262.328 3.189 20 30 CGEDHN N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000360053664 381427289 /nfs/dbraw/zinc/42/72/89/381427289.db2.gz DOFCLOIFVSQBPJ-WMLDXEAASA-N 0 3 298.411 3.487 20 30 CGEDHN CC(C)CCN(CCC#N)C(=O)[C@@H](C)N1CCCCCC1 ZINC000360110086 381450701 /nfs/dbraw/zinc/45/07/01/381450701.db2.gz KGVRKHRTMQQVBR-MRXNPFEDSA-N 0 3 293.455 3.039 20 30 CGEDHN N#Cc1ccc(OCCNc2ccnc3ccccc32)cc1 ZINC000361136768 381656869 /nfs/dbraw/zinc/65/68/69/381656869.db2.gz SAYZHPPSBMCHJR-UHFFFAOYSA-N 0 3 289.338 3.019 20 30 CGEDHN N#Cc1ccc(NC(=O)CN(CC2CC2)CC2CCC2)cc1 ZINC000361558250 381804130 /nfs/dbraw/zinc/80/41/30/381804130.db2.gz VVLWHOHZIKGBFG-UHFFFAOYSA-N 0 3 297.402 3.009 20 30 CGEDHN Cn1cc(CN2CCC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC000361575078 381812516 /nfs/dbraw/zinc/81/25/16/381812516.db2.gz ACVBZUFJEZJQCZ-KRWDZBQOSA-N 0 3 293.414 3.351 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1F)[C@@H]1CC[C@@H](C)C1 ZINC000361634261 381847420 /nfs/dbraw/zinc/84/74/20/381847420.db2.gz AFESUAKEXFXPGD-CZUORRHYSA-N 0 3 290.382 3.334 20 30 CGEDHN COCCN(Cc1ccccc1C#N)[C@H]1CC[C@@H](C)C1 ZINC000361640600 381851708 /nfs/dbraw/zinc/85/17/08/381851708.db2.gz VDMPDAIIYAFTCY-PBHICJAKSA-N 0 3 272.392 3.195 20 30 CGEDHN Cn1cc(C(=O)C(C#N)c2ccccn2)c2cc(F)ccc21 ZINC000361665818 381862699 /nfs/dbraw/zinc/86/26/99/381862699.db2.gz ZRXDYLDCGRPOEA-CYBMUJFWSA-N 0 3 293.301 3.202 20 30 CGEDHN Cc1ccc2nccc(NCC3(CC#N)CC3)c2c1 ZINC000362363110 381957058 /nfs/dbraw/zinc/95/70/58/381957058.db2.gz ARSCKOQZVRPMRO-UHFFFAOYSA-N 0 3 251.333 3.071 20 30 CGEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000362378336 381962167 /nfs/dbraw/zinc/96/21/67/381962167.db2.gz DOZHQBARMOYTSQ-OCCSQVGLSA-N 0 3 295.452 3.005 20 30 CGEDHN Cc1ccc2c(c1)OCCC[C@H]2NCC1(CC#N)CC1 ZINC000366814308 382317294 /nfs/dbraw/zinc/31/72/94/382317294.db2.gz WHMDDDDSBHVHAZ-OAHLLOKOSA-N 0 3 270.376 3.492 20 30 CGEDHN CC[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCCO1 ZINC000281455665 195247226 /nfs/dbraw/zinc/24/72/26/195247226.db2.gz QVLWVKFIYFCBER-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN CC[C@]1(CO)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000190039953 130052992 /nfs/dbraw/zinc/05/29/92/130052992.db2.gz YXUPQMNBNQFUEL-YOEHRIQHSA-N 0 3 272.392 3.104 20 30 CGEDHN CCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccc(O)c1 ZINC000191253600 130209769 /nfs/dbraw/zinc/20/97/69/130209769.db2.gz HCAOOGOBKOWPHT-ZDUSSCGKSA-N 0 3 283.375 3.185 20 30 CGEDHN CC[C@@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1C ZINC000191292468 130217670 /nfs/dbraw/zinc/21/76/70/130217670.db2.gz IXFKFDVFIFJMIM-KRWDZBQOSA-N 0 3 297.402 3.152 20 30 CGEDHN Cn1cc(CN2CC[C@H](Cc3ccc(F)cc3)C2)cc1C#N ZINC000191369370 130227707 /nfs/dbraw/zinc/22/77/07/130227707.db2.gz JRNNYGLAMBBWPO-OAHLLOKOSA-N 0 3 297.377 3.100 20 30 CGEDHN CCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000048336935 391997116 /nfs/dbraw/zinc/99/71/16/391997116.db2.gz RZGXQXPVIXXADQ-UHFFFAOYSA-N 0 3 258.365 3.059 20 30 CGEDHN C=CCCCN(C)Cc1cc(OC)ccc1OCOC ZINC000093533646 392239487 /nfs/dbraw/zinc/23/94/87/392239487.db2.gz URHFJJCZNSBOSV-UHFFFAOYSA-N 0 3 279.380 3.076 20 30 CGEDHN C=CCN(CCc1cscn1)CCc1ccccc1 ZINC000284326699 392312610 /nfs/dbraw/zinc/31/26/10/392312610.db2.gz QCNRTCPOGHLHEU-UHFFFAOYSA-N 0 3 272.417 3.416 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCN(C(=O)OCC)C1)c1ccco1 ZINC000286142431 392376804 /nfs/dbraw/zinc/37/68/04/392376804.db2.gz OKWAEEBHMMECIX-ZIAGYGMSSA-N 0 3 292.379 3.107 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000289693459 392430059 /nfs/dbraw/zinc/43/00/59/392430059.db2.gz IFFWRSSBUMTSAV-OCCSQVGLSA-N 0 3 263.381 3.061 20 30 CGEDHN CC#CCCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000156003992 392544625 /nfs/dbraw/zinc/54/46/25/392544625.db2.gz NODCTEGTFXDGDE-QGZVFWFLSA-N 0 3 283.371 3.229 20 30 CGEDHN C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1 ZINC000371118758 392511958 /nfs/dbraw/zinc/51/19/58/392511958.db2.gz PXWTWQDQUVTGOW-LIRRHRJNSA-N 0 3 291.398 3.396 20 30 CGEDHN CN(CCCC(C)(C)C#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178409378 392678578 /nfs/dbraw/zinc/67/85/78/392678578.db2.gz WFAHVEXIHMFQKC-HXUWFJFHSA-N 0 3 292.448 3.186 20 30 CGEDHN CCCOc1ncccc1CNCC(C)(C)CCC#N ZINC000174307351 392639253 /nfs/dbraw/zinc/63/92/53/392639253.db2.gz AAMXCFXPKROZMG-UHFFFAOYSA-N 0 3 275.396 3.290 20 30 CGEDHN Cn1cccc1[C@H]1CCCCN1CCCSCC#N ZINC000175138089 392649840 /nfs/dbraw/zinc/64/98/40/392649840.db2.gz WJQZXGVQPHKSMY-OAHLLOKOSA-N 0 3 277.437 3.199 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)COc1ccccc1C(C)C ZINC000181245059 392724261 /nfs/dbraw/zinc/72/42/61/392724261.db2.gz SYPGJVVXKBYJOD-OAHLLOKOSA-N 0 3 277.408 3.058 20 30 CGEDHN N#CCCN(CC1CC1)C[C@@H]1CCCC(F)(F)C1 ZINC000338310470 392909117 /nfs/dbraw/zinc/90/91/17/392909117.db2.gz XSKTZCZFCHSRCN-CYBMUJFWSA-N 0 3 256.340 3.438 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(OCc3ccccc3)CC2)C1 ZINC000338886869 392933802 /nfs/dbraw/zinc/93/38/02/392933802.db2.gz ONTIJEWWYSYEML-SJORKVTESA-N 0 3 284.403 3.360 20 30 CGEDHN C=CCOCCN(Cc1cccc(F)c1)C(C)C ZINC000338924021 392935509 /nfs/dbraw/zinc/93/55/09/392935509.db2.gz FUACZWPOUXCYDF-UHFFFAOYSA-N 0 3 251.345 3.239 20 30 CGEDHN N#CCCOCCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000339081303 392944984 /nfs/dbraw/zinc/94/49/84/392944984.db2.gz NVOCLODYZOKZPN-DOOKAGJSSA-N 0 3 270.376 3.094 20 30 CGEDHN C=CCOCCNC1(c2ccc(Cl)cc2)CC1 ZINC000339065279 392945071 /nfs/dbraw/zinc/94/50/71/392945071.db2.gz DXOYPHYFXLNVBT-UHFFFAOYSA-N 0 3 251.757 3.121 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@]3(C2)OCc2ccccc23)C1 ZINC000339090984 392947508 /nfs/dbraw/zinc/94/75/08/392947508.db2.gz KVLORSVQGFZGIR-KYJSFNMBSA-N 0 3 282.387 3.200 20 30 CGEDHN C=CCOCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000339127400 392949068 /nfs/dbraw/zinc/94/90/68/392949068.db2.gz SCRVUSVVPKJZEC-UHFFFAOYSA-N 0 3 257.736 3.114 20 30 CGEDHN COc1ccccc1[C@H](CC(C)C)NCCOCCC#N ZINC000339077916 392946080 /nfs/dbraw/zinc/94/60/80/392946080.db2.gz YNMAYWSCRADAJU-INIZCTEOSA-N 0 3 290.407 3.302 20 30 CGEDHN C=C(CC)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778881 392971116 /nfs/dbraw/zinc/97/11/16/392971116.db2.gz OPXIVIFBZIHSBF-UHFFFAOYSA-N 0 3 270.376 3.120 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000411743112 392986532 /nfs/dbraw/zinc/98/65/32/392986532.db2.gz FPHXRJZSPWNIDA-RHSMWYFYSA-N 0 3 270.376 3.148 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2ccccn2)cc1 ZINC000530963075 392987775 /nfs/dbraw/zinc/98/77/75/392987775.db2.gz DBLMQZRJNYWENH-GOSISDBHSA-N 0 3 293.370 3.169 20 30 CGEDHN COc1cccc(C[C@H]2CCCN2Cc2ccc(C#N)o2)c1 ZINC000534344441 392998071 /nfs/dbraw/zinc/99/80/71/392998071.db2.gz KXTOFUXVFURVOB-OAHLLOKOSA-N 0 3 296.370 3.367 20 30 CGEDHN CCN(CC1(C#N)CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000343319304 393025974 /nfs/dbraw/zinc/02/59/74/393025974.db2.gz ZLIAVBVVVGMVKY-SJLPKXTDSA-N 0 3 297.446 3.448 20 30 CGEDHN COc1cccc(-c2ccc(CNC(=O)C(C)C#N)cc2)c1 ZINC000346314072 393082531 /nfs/dbraw/zinc/08/25/31/393082531.db2.gz XTIRULHFESOTAR-CYBMUJFWSA-N 0 3 294.354 3.138 20 30 CGEDHN CC[C@@H]1C[C@H](C)CN1Cc1cn2ccccc2c1C#N ZINC000466915333 393068719 /nfs/dbraw/zinc/06/87/19/393068719.db2.gz JFIWEKVHIPXHIB-DZGCQCFKSA-N 0 3 267.376 3.431 20 30 CGEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccccc1Cl ZINC000346179940 393078340 /nfs/dbraw/zinc/07/83/40/393078340.db2.gz GBJNNTPVHLLTNA-GWCFXTLKSA-N 0 3 264.756 3.313 20 30 CGEDHN CC[C@H](N[C@H](C)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278863126 393327743 /nfs/dbraw/zinc/32/77/43/393327743.db2.gz WLMWPHJFNWTEIE-WBMJQRKESA-N 0 3 268.364 3.094 20 30 CGEDHN C=C(CC)CNCc1cc2ccccc2nc1OC ZINC000648840077 393269289 /nfs/dbraw/zinc/26/92/89/393269289.db2.gz UBUZPZBTTPQLJX-UHFFFAOYSA-N 0 3 256.349 3.299 20 30 CGEDHN Cc1cccc2c1CN(CCOc1ccccc1C#N)CC2 ZINC000429565518 393482251 /nfs/dbraw/zinc/48/22/51/393482251.db2.gz HYPPTJUVSAJTOF-UHFFFAOYSA-N 0 3 292.382 3.304 20 30 CGEDHN CCCCCN(CC#Cc1ccc(Cl)cc1)CCO ZINC000427018814 393453950 /nfs/dbraw/zinc/45/39/50/393453950.db2.gz DBEBIBFHTQLRMA-UHFFFAOYSA-N 0 3 279.811 3.176 20 30 CGEDHN Cc1cc(CN[C@@H](C)c2ccc3c(c2)OCO3)ccc1C#N ZINC000488131979 393462598 /nfs/dbraw/zinc/46/25/98/393462598.db2.gz ZZGDBJAEYZKKEP-ZDUSSCGKSA-N 0 3 294.354 3.446 20 30 CGEDHN Cc1cc(CN[C@@H](C)c2cccnc2)ccc1C#N ZINC000488135668 393462809 /nfs/dbraw/zinc/46/28/09/393462809.db2.gz FKXGEWYEELJOOG-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN CC(C#N)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000357845735 393517890 /nfs/dbraw/zinc/51/78/90/393517890.db2.gz ZVZFUGVZNDJKAR-TZMCWYRMSA-N 0 3 258.365 3.440 20 30 CGEDHN N#CCCCN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358986324 393532322 /nfs/dbraw/zinc/53/23/22/393532322.db2.gz NPQQDVHPDGJRMS-INIZCTEOSA-N 0 3 280.375 3.143 20 30 CGEDHN Cc1cc(CN2CCS[C@H](C)CC2)ccc1C#N ZINC000489032478 393572508 /nfs/dbraw/zinc/57/25/08/393572508.db2.gz ARTCGEKRWMGJEH-CYBMUJFWSA-N 0 3 260.406 3.194 20 30 CGEDHN C=C(C)[C@@H](NCCC[C@@H](C)O)c1ccc(F)c(F)c1 ZINC000450784481 394035974 /nfs/dbraw/zinc/03/59/74/394035974.db2.gz ZSTDYJRKZFDJCZ-IAQYHMDHSA-N 0 3 269.335 3.333 20 30 CGEDHN CO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C12CCC2 ZINC000453197368 394202192 /nfs/dbraw/zinc/20/21/92/394202192.db2.gz SLQBFEDXZWFSAG-KNXALSJPSA-N 0 3 288.366 3.306 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000453396201 394231890 /nfs/dbraw/zinc/23/18/90/394231890.db2.gz HIJUMMCEHYCWAF-HFBAOOFYSA-N 0 3 276.355 3.306 20 30 CGEDHN C=CCC[C@H](NCC(O)(CC)CC)c1ccco1 ZINC000286310274 397671305 /nfs/dbraw/zinc/67/13/05/397671305.db2.gz XCRWOVMXVUFZAY-ZDUSSCGKSA-N 0 3 251.370 3.428 20 30 CGEDHN C=CCCN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000286273593 397671509 /nfs/dbraw/zinc/67/15/09/397671509.db2.gz BXBCBMPVCNUNRQ-CQSZACIVSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2nc(C)sc2C)CC1 ZINC000676490256 543399896 /nfs/dbraw/zinc/39/98/96/543399896.db2.gz PBRYLUJQUWCAKU-NSHDSACASA-N 0 3 279.453 3.061 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@@H](C3CC3)C2)cc1 ZINC000677057015 543428587 /nfs/dbraw/zinc/42/85/87/543428587.db2.gz XHSBXIQSPWSCMR-MRXNPFEDSA-N 0 3 257.352 3.299 20 30 CGEDHN C=CC1CCN(Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000678260011 543503030 /nfs/dbraw/zinc/50/30/30/543503030.db2.gz OWWSFXSSBOJRDE-UHFFFAOYSA-N 0 3 297.402 3.483 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](CC)c1ccccc1OC(F)F ZINC000678743680 543552384 /nfs/dbraw/zinc/55/23/84/543552384.db2.gz HBLFYOXOKDOIAG-OLZOCXBDSA-N 0 3 285.334 3.266 20 30 CGEDHN C=CCC[C@H](NCc1ccn(C)c(=O)c1)c1ccccc1 ZINC000678785670 543558135 /nfs/dbraw/zinc/55/81/35/543558135.db2.gz PAMYANWAAOFILT-KRWDZBQOSA-N 0 3 282.387 3.182 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000678734261 543551156 /nfs/dbraw/zinc/55/11/56/543551156.db2.gz CRUKQSPJCQEOGW-KBPBESRZSA-N 0 3 253.773 3.318 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CCCCO1 ZINC000271930936 287050737 /nfs/dbraw/zinc/05/07/37/287050737.db2.gz IEEIDXAPVXSRTH-WOSRLPQWSA-N 0 3 258.365 3.166 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000081197344 287071148 /nfs/dbraw/zinc/07/11/48/287071148.db2.gz UARKYZBHYLDMFR-SJORKVTESA-N 0 3 280.375 3.028 20 30 CGEDHN C[C@@H](c1ccco1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000069067356 165049925 /nfs/dbraw/zinc/04/99/25/165049925.db2.gz GBKAEONKMAJUST-ZDUSSCGKSA-N 0 3 297.358 3.173 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2cccc(C#N)c2)CCS1 ZINC000076064429 165111690 /nfs/dbraw/zinc/11/16/90/165111690.db2.gz NKJAHSTZEJRJMT-HNNXBMFYSA-N 0 3 260.406 3.132 20 30 CGEDHN COc1ccc(CN2CCCC(C)(C)C2)cc1C#N ZINC000087833430 165190239 /nfs/dbraw/zinc/19/02/39/165190239.db2.gz OOXGSMKSTCIECF-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1ccc(F)c(C#N)c1 ZINC000091099556 165257717 /nfs/dbraw/zinc/25/77/17/165257717.db2.gz XSXYKRWXYJQMJT-CYBMUJFWSA-N 0 3 266.385 3.271 20 30 CGEDHN CCSCC[C@@H](C)N(C)Cc1ccc(C#N)o1 ZINC000093870934 165339839 /nfs/dbraw/zinc/33/98/39/165339839.db2.gz ZRWDAUAXRMIBHP-LLVKDONJSA-N 0 3 252.383 3.115 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCCCCC1 ZINC000007390161 170282349 /nfs/dbraw/zinc/28/23/49/170282349.db2.gz YPULHUIFNQXFAE-AWEZNQCLSA-N 0 3 285.391 3.151 20 30 CGEDHN C[C@@H](CNc1cccc(F)c1C#N)N1CCC[C@@H](C)C1 ZINC000071954249 176304681 /nfs/dbraw/zinc/30/46/81/176304681.db2.gz NPHIRKILUGDKNF-OLZOCXBDSA-N 0 3 275.371 3.230 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000679576028 543648162 /nfs/dbraw/zinc/64/81/62/543648162.db2.gz GULZVDYHEFTXPN-LBPRGKRZSA-N 0 3 285.334 3.450 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000679324267 543619289 /nfs/dbraw/zinc/61/92/89/543619289.db2.gz TUXLVDXOZKRPEP-GFCCVEGCSA-N 0 3 299.340 3.341 20 30 CGEDHN C=C(C)[C@H](CO)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000679674854 543655530 /nfs/dbraw/zinc/65/55/30/543655530.db2.gz USFWAHVBHOQQCC-KRWDZBQOSA-N 0 3 273.420 3.279 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](CC(C)C)c1cccs1 ZINC000680389866 543706851 /nfs/dbraw/zinc/70/68/51/543706851.db2.gz CWSDUDKFCXOESA-OLZOCXBDSA-N 0 3 253.411 3.362 20 30 CGEDHN COCC#CCN[C@@H](Cc1ccccc1)c1cccs1 ZINC000680393523 543707859 /nfs/dbraw/zinc/70/78/59/543707859.db2.gz BKBKRVYWVCKVIA-INIZCTEOSA-N 0 3 285.412 3.271 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000680427673 543710929 /nfs/dbraw/zinc/71/09/29/543710929.db2.gz WTJJYHGBHCMSEC-SZOQZIPDSA-N 0 3 257.377 3.331 20 30 CGEDHN C=CCN1CCC(Nc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000682663983 543857728 /nfs/dbraw/zinc/85/77/28/543857728.db2.gz WRZFEQWRTIAABF-UHFFFAOYSA-N 0 3 283.375 3.003 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000347072327 226015580 /nfs/dbraw/zinc/01/55/80/226015580.db2.gz PYFHYNDSOGBEMX-VHSXEESVSA-N 0 3 284.281 3.384 20 30 CGEDHN C=CCOc1ccc(CN(C)C[C@H](O)C2CC2)cc1Cl ZINC000685460663 544075123 /nfs/dbraw/zinc/07/51/23/544075123.db2.gz CNTBVTWSKPGZJL-HNNXBMFYSA-N 0 3 295.810 3.108 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](N)c1ccccc1 ZINC000659328792 418976529 /nfs/dbraw/zinc/97/65/29/418976529.db2.gz IWFZAXGUPRXIFX-IKGGRYGDSA-N 0 3 286.419 3.328 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)C(C)C ZINC000665390305 419122996 /nfs/dbraw/zinc/12/29/96/419122996.db2.gz AKKGPCXEBJXMBY-CVEARBPZSA-N 0 3 295.471 3.103 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(SC)c1 ZINC000660740393 419188605 /nfs/dbraw/zinc/18/86/05/419188605.db2.gz QLMKEKBIANJPHF-CABCVRRESA-N 0 3 263.406 3.232 20 30 CGEDHN C=C(CNCc1c(C(F)(F)F)cnn1C)c1ccccc1 ZINC000657334387 419252616 /nfs/dbraw/zinc/25/26/16/419252616.db2.gz YEGSDHSWOMMIRJ-UHFFFAOYSA-N 0 3 295.308 3.242 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NCc2cccs2)C1 ZINC000661378883 419255596 /nfs/dbraw/zinc/25/55/96/419255596.db2.gz NSNXSBREOFJMOV-KGLIPLIRSA-N 0 3 292.448 3.041 20 30 CGEDHN C[C@H](CO)[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000661440545 419260164 /nfs/dbraw/zinc/26/01/64/419260164.db2.gz DNNPQQMHULHZAH-PBHICJAKSA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@@H]1CCO ZINC000661493083 419266765 /nfs/dbraw/zinc/26/67/65/419266765.db2.gz NJFHFZVBYPJVRQ-RHSMWYFYSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCOCCN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661196442 419239627 /nfs/dbraw/zinc/23/96/27/419239627.db2.gz SBZNIKQYBFAHJV-KRWDZBQOSA-N 0 3 289.419 3.259 20 30 CGEDHN C=CCCn1cc(CNCC[C@@H]2CCc3ccccc32)nn1 ZINC000657477523 419288049 /nfs/dbraw/zinc/28/80/49/419288049.db2.gz OPQZKTWAYAPPSK-INIZCTEOSA-N 0 3 296.418 3.064 20 30 CGEDHN C=CCN(CC(=O)NCc1ccc(Cl)cc1)C(C)(C)C ZINC000661756362 419295465 /nfs/dbraw/zinc/29/54/65/419295465.db2.gz LSBQACGRSWXXJV-UHFFFAOYSA-N 0 3 294.826 3.243 20 30 CGEDHN C=CCCCN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000661936269 419313695 /nfs/dbraw/zinc/31/36/95/419313695.db2.gz JCUWLAAFIVYJSY-ZDUSSCGKSA-N 0 3 262.401 3.011 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000662081550 419333266 /nfs/dbraw/zinc/33/32/66/419333266.db2.gz USWJNHLUVWGVRB-VVLHAWIVSA-N 0 3 290.451 3.349 20 30 CGEDHN Cc1cc([C@H]2CCCN2CC(C)(C)CCC#N)on1 ZINC000352096447 228181979 /nfs/dbraw/zinc/18/19/79/228181979.db2.gz GFNNDXPLYZJHQE-CYBMUJFWSA-N 0 3 261.369 3.450 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](CO)c1ccc(F)cc1F ZINC000662165247 419352604 /nfs/dbraw/zinc/35/26/04/419352604.db2.gz MDGPRQFZHDEQLF-IAQYHMDHSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2c1CNC2 ZINC000662601003 419460697 /nfs/dbraw/zinc/46/06/97/419460697.db2.gz IYQXBLXMLVMNNB-DYVFJYSZSA-N 0 3 284.403 3.155 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncccc1N(C)C ZINC000658018883 419495322 /nfs/dbraw/zinc/49/53/22/419495322.db2.gz HSRICZVKVZWUAH-HUUCEWRRSA-N 0 3 273.424 3.372 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C(C)(C)C)[nH]1 ZINC000658035186 419512620 /nfs/dbraw/zinc/51/26/20/419512620.db2.gz LZUUGECBAIWERR-QWHCGFSZSA-N 0 3 276.428 3.327 20 30 CGEDHN C=C(C)CN1CCC(Nc2cc(C(C)(C)C)ncn2)CC1 ZINC000663567193 419649560 /nfs/dbraw/zinc/64/95/60/419649560.db2.gz ASUIPIPAUXOZBN-UHFFFAOYSA-N 0 3 288.439 3.227 20 30 CGEDHN C=C(C)CN1CCC(NCc2c(F)cccc2F)CC1 ZINC000106246161 260095431 /nfs/dbraw/zinc/09/54/31/260095431.db2.gz ZZESRTOSYONNGF-UHFFFAOYSA-N 0 3 280.362 3.095 20 30 CGEDHN C=CCCOCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000297359081 260119314 /nfs/dbraw/zinc/11/93/14/260119314.db2.gz FRJARMZPUTXTIW-UHFFFAOYSA-N 0 3 299.798 3.127 20 30 CGEDHN N#CCSCCCN1CCSC[C@H]1c1ccccc1 ZINC000080628864 260317242 /nfs/dbraw/zinc/31/72/42/260317242.db2.gz FXTOOUHUUNTMIQ-HNNXBMFYSA-N 0 3 292.473 3.423 20 30 CGEDHN COc1ccc(CNCC=C(C)C)cc1OCCCC#N ZINC000191628606 262193881 /nfs/dbraw/zinc/19/38/81/262193881.db2.gz GRXAQTRWGDQVJR-UHFFFAOYSA-N 0 3 288.391 3.434 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2Cn2cccn2)C1 ZINC000192625809 262206819 /nfs/dbraw/zinc/20/68/19/262206819.db2.gz KUXNUMUCJJNKSH-YJBOKZPZSA-N 0 3 294.402 3.103 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000192730734 262209782 /nfs/dbraw/zinc/20/97/82/262209782.db2.gz DJBCYAZIJIAXJI-IPYPFGDCSA-N 0 3 260.381 3.469 20 30 CGEDHN CCCCN(CCCC)CC(=O)Nc1cccc(C#N)c1 ZINC000020360951 262246007 /nfs/dbraw/zinc/24/60/07/262246007.db2.gz FGTWUEOGEVAYBK-UHFFFAOYSA-N 0 3 287.407 3.399 20 30 CGEDHN C=CC1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000111257205 262258174 /nfs/dbraw/zinc/25/81/74/262258174.db2.gz NNGINPSWVFYYAY-SJORKVTESA-N 0 3 290.451 3.066 20 30 CGEDHN CN1CCCc2cc(CNCc3ccc(C#N)cc3)ccc21 ZINC000058476996 262385434 /nfs/dbraw/zinc/38/54/34/262385434.db2.gz LUDLIFPYOLBQDG-UHFFFAOYSA-N 0 3 291.398 3.230 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCCOC1 ZINC000336839138 262399404 /nfs/dbraw/zinc/39/94/04/262399404.db2.gz SMTKXTUFTKEJDE-JQHSSLGASA-N 0 3 284.403 3.185 20 30 CGEDHN CCN(CCOCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000338924319 262571590 /nfs/dbraw/zinc/57/15/90/262571590.db2.gz HGKHNJPVGQPJJF-CYBMUJFWSA-N 0 3 264.344 3.139 20 30 CGEDHN N#CC1(CCN[C@H]2Cc3cccc(O)c3C2)CCCCC1 ZINC000411635060 262701212 /nfs/dbraw/zinc/70/12/12/262701212.db2.gz VXKLJIKUSIBPEN-HNNXBMFYSA-N 0 3 284.403 3.313 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)COC2 ZINC000414173366 262814143 /nfs/dbraw/zinc/81/41/43/262814143.db2.gz WWYWSFCOKBKJBG-LBPRGKRZSA-N 0 3 258.365 3.307 20 30 CGEDHN Cc1cc(CNCCCC#N)cc(C)c1OC(F)F ZINC000273092105 263012508 /nfs/dbraw/zinc/01/25/08/263012508.db2.gz STUDUDHWJYCVEE-UHFFFAOYSA-N 0 3 268.307 3.298 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3c2cccc3O)C1 ZINC000278762854 263050549 /nfs/dbraw/zinc/05/05/49/263050549.db2.gz OTZWDXZNYFLAOW-JMSVASOKSA-N 0 3 256.349 3.051 20 30 CGEDHN Cc1cnc([C@H](C)NCCCC2(C#N)CCOCC2)s1 ZINC000281330524 263068214 /nfs/dbraw/zinc/06/82/14/263068214.db2.gz LWPIYJVUNUDJSZ-ZDUSSCGKSA-N 0 3 293.436 3.203 20 30 CGEDHN CCOC(=O)[C@H]1CC[C@H](NCCCC#N)c2ccccc21 ZINC000282956081 263079859 /nfs/dbraw/zinc/07/98/59/263079859.db2.gz CFNVHUVJOQOAHD-HOTGVXAUSA-N 0 3 286.375 3.062 20 30 CGEDHN N#CCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000289798392 263111991 /nfs/dbraw/zinc/11/19/91/263111991.db2.gz MSIJGKAIHDYZGU-UHFFFAOYSA-N 0 3 287.338 3.450 20 30 CGEDHN CCOc1ccc(CN(CCOCCC#N)C(C)C)cc1 ZINC000293387154 263139736 /nfs/dbraw/zinc/13/97/36/263139736.db2.gz GQNUNBZTBLTJMT-UHFFFAOYSA-N 0 3 290.407 3.226 20 30 CGEDHN COc1ccc(CN[C@H]2CC2(C)C)cc1OCCCC#N ZINC000299444924 263242549 /nfs/dbraw/zinc/24/25/49/263242549.db2.gz LAHWVVIABKHESO-INIZCTEOSA-N 0 3 288.391 3.266 20 30 CGEDHN CC[C@@H](N[C@@H](C)CCC#N)c1ccc2c(c1)OCCO2 ZINC000299725178 263254073 /nfs/dbraw/zinc/25/40/73/263254073.db2.gz UGGCTAKESASPFL-GXTWGEPZSA-N 0 3 274.364 3.191 20 30 CGEDHN C=CCN(CCCC(=O)OCC)Cc1ccccc1 ZINC000120079369 263279861 /nfs/dbraw/zinc/27/98/61/263279861.db2.gz PTVMXADEPOASCY-UHFFFAOYSA-N 0 3 261.365 3.018 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000341281547 263329942 /nfs/dbraw/zinc/32/99/42/263329942.db2.gz VSSGTYJKTDBBEZ-ZDUSSCGKSA-N 0 3 289.350 3.360 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(F)cc1C(F)(F)F ZINC000341275502 263330099 /nfs/dbraw/zinc/33/00/99/263330099.db2.gz PJQJFHLLCYJEFN-SNVBAGLBSA-N 0 3 291.288 3.119 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000341431577 263338186 /nfs/dbraw/zinc/33/81/86/263338186.db2.gz HAXSORWOISJPBP-NSHDSACASA-N 0 3 293.313 3.251 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000341882438 263361975 /nfs/dbraw/zinc/36/19/75/263361975.db2.gz SQHLYGHSSBZFKU-WDEREUQCSA-N 0 3 271.763 3.314 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000341889585 263363766 /nfs/dbraw/zinc/36/37/66/263363766.db2.gz RWTODDRUFCCJAH-ZBFHGGJFSA-N 0 3 287.403 3.207 20 30 CGEDHN C=CCn1cc(CNCC[C@H](C)CCC=C(C)C)nn1 ZINC000425351122 264026849 /nfs/dbraw/zinc/02/68/49/264026849.db2.gz ITLHGINKSMTWNG-OAHLLOKOSA-N 0 3 276.428 3.326 20 30 CGEDHN CCC[NH+]1CCC(NC(=O)c2cc(CC)ccc2[O-])CC1 ZINC000331225530 264149976 /nfs/dbraw/zinc/14/99/76/264149976.db2.gz CHIFLAPFRJHNIW-UHFFFAOYSA-N 0 3 290.407 3.134 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000070754218 264238264 /nfs/dbraw/zinc/23/82/64/264238264.db2.gz MYDVXVLJVYLBMQ-ZIAGYGMSSA-N 0 3 282.387 3.181 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](OC)C1CC1 ZINC000425407728 264284323 /nfs/dbraw/zinc/28/43/23/264284323.db2.gz PUDFLODTESZPML-QGZVFWFLSA-N 0 3 275.392 3.108 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cn1)[C@H]1CCC[C@@H](C)C1 ZINC000521062877 270099987 /nfs/dbraw/zinc/09/99/87/270099987.db2.gz BWIZPGYNRHPSSL-IPYPFGDCSA-N 0 3 257.381 3.258 20 30 CGEDHN CCN(C)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000359964315 266103186 /nfs/dbraw/zinc/10/31/86/266103186.db2.gz SKBASHVGOWEHSQ-CQSZACIVSA-N 0 3 294.402 3.260 20 30 CGEDHN C=CCCC1(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000356542109 266134112 /nfs/dbraw/zinc/13/41/12/266134112.db2.gz NFVGKVOFMZHXNS-IRXDYDNUSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCOc1cccc(CN2CCN(C)C[C@H]2C(C)C)c1 ZINC000357215849 266266811 /nfs/dbraw/zinc/26/68/11/266266811.db2.gz QKNSRGJXPADVQE-SFHVURJKSA-N 0 3 288.435 3.023 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)C[C@H](C)O)cc1Cl ZINC000361043086 266772786 /nfs/dbraw/zinc/77/27/86/266772786.db2.gz NKQWLVBWHVTCII-RYUDHWBXSA-N 0 3 283.799 3.154 20 30 CGEDHN C=CCC[C@H](O)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000121450830 267656647 /nfs/dbraw/zinc/65/66/47/267656647.db2.gz AMPNARBACYOAGF-KRWDZBQOSA-N 0 3 275.367 3.242 20 30 CGEDHN C[C@@H](NC[C@H]1COc2ccccc2O1)c1ccc(C#N)cc1 ZINC000314406300 274251253 /nfs/dbraw/zinc/25/12/53/274251253.db2.gz VMFGJFKXLSUWPB-CJNGLKHVSA-N 0 3 294.354 3.049 20 30 CGEDHN C[C@@H](NCc1ccccc1C#N)[C@H]1COc2ccccc21 ZINC000119353201 274252945 /nfs/dbraw/zinc/25/29/45/274252945.db2.gz QFSNDVZYSDRIPO-CXAGYDPISA-N 0 3 278.355 3.213 20 30 CGEDHN COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000348183184 277948597 /nfs/dbraw/zinc/94/85/97/277948597.db2.gz AWIYGIHPBMDYOB-QEORTHHSSA-N 0 3 270.376 3.354 20 30 CGEDHN CCCC[C@@H](COC)N[C@H](C)c1ccc(C#N)cc1 ZINC000174112636 278725360 /nfs/dbraw/zinc/72/53/60/278725360.db2.gz ZWOAOFMGDBACJB-CJNGLKHVSA-N 0 3 260.381 3.414 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000352837447 279547308 /nfs/dbraw/zinc/54/73/08/279547308.db2.gz AHRUTYJPPYXRKD-JHJVBQTASA-N 0 3 275.421 3.463 20 30 CGEDHN COc1cc(CN2CC(C)(C)[C@H]2C(C)C)ccc1C#N ZINC000552072107 289159823 /nfs/dbraw/zinc/15/98/23/289159823.db2.gz VUUMIYXEEDRNID-MRXNPFEDSA-N 0 3 272.392 3.433 20 30 CGEDHN CC(C)[C@@H](CO)CN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000554085185 289256010 /nfs/dbraw/zinc/25/60/10/289256010.db2.gz AEXKRXCFYJJBMW-WCQYABFASA-N 0 3 280.799 3.127 20 30 CGEDHN N#Cc1cccc(C2(N[C@H]3COc4ccccc4C3)CC2)c1 ZINC000556150847 289373420 /nfs/dbraw/zinc/37/34/20/289373420.db2.gz PHSYWCGXXTVQPM-QGZVFWFLSA-N 0 3 290.366 3.141 20 30 CGEDHN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(C)C#N ZINC000345645863 302171516 /nfs/dbraw/zinc/17/15/16/302171516.db2.gz RJAZYKRZORQTOJ-HIFRSBDPSA-N 0 3 258.365 3.310 20 30 CGEDHN CC(C)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356062415 528834015 /nfs/dbraw/zinc/83/40/15/528834015.db2.gz LHEHCEUQRJLGGU-UHFFFAOYSA-N 0 3 256.271 3.417 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC2(c3ccc(F)cc3)CC2)C1 ZINC000334570646 303166963 /nfs/dbraw/zinc/16/69/63/303166963.db2.gz KZIMTXWVIAHPKC-SWLSCSKDSA-N 0 3 258.340 3.487 20 30 CGEDHN COCc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185766724 327845005 /nfs/dbraw/zinc/84/50/05/327845005.db2.gz OBMBMURPNFRAAX-CVEARBPZSA-N 0 3 258.365 3.005 20 30 CGEDHN C=CCCCCCCNCc1ncc(Cl)n1C ZINC000290154114 328097254 /nfs/dbraw/zinc/09/72/54/328097254.db2.gz PFWIRVKWGPFRGA-UHFFFAOYSA-N 0 3 255.793 3.300 20 30 CGEDHN COc1cc(C)c([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000274678778 328213034 /nfs/dbraw/zinc/21/30/34/328213034.db2.gz ZSMGSSVWKRKTAU-BFHYXJOUSA-N 0 3 288.391 3.355 20 30 CGEDHN N#CCCOCCN1CCCC[C@@H]1c1ccccc1 ZINC000294585945 328281933 /nfs/dbraw/zinc/28/19/33/328281933.db2.gz MWLWNBPXYVSEFU-MRXNPFEDSA-N 0 3 258.365 3.144 20 30 CGEDHN CC(C)C[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000565782734 322091086 /nfs/dbraw/zinc/09/10/86/322091086.db2.gz JHDFENYRNRIWIV-CQSZACIVSA-N 0 3 257.381 3.211 20 30 CGEDHN CN(CCSc1ccncc1C#N)Cc1ccccc1 ZINC000566578547 322130058 /nfs/dbraw/zinc/13/00/58/322130058.db2.gz VEDNXCKPGUTTFF-UHFFFAOYSA-N 0 3 283.400 3.177 20 30 CGEDHN C[C@@H](NCCN1CC[C@@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235638 322268586 /nfs/dbraw/zinc/26/85/86/322268586.db2.gz LJVSWECJLVNXFR-CHWSQXEVSA-N 0 3 291.826 3.204 20 30 CGEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ncccc1[O-] ZINC000572682565 322349593 /nfs/dbraw/zinc/34/95/93/322349593.db2.gz LDNDMFUKXPYMQY-UHFFFAOYSA-N 0 3 295.386 3.317 20 30 CGEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1[O-] ZINC000572682565 322349595 /nfs/dbraw/zinc/34/95/95/322349595.db2.gz LDNDMFUKXPYMQY-UHFFFAOYSA-N 0 3 295.386 3.317 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000289559900 328527274 /nfs/dbraw/zinc/52/72/74/328527274.db2.gz AHWLFNKIIVQKMI-AAEUAGOBSA-N 0 3 283.799 3.325 20 30 CGEDHN C=CCOc1cccc(CN(C)C2CC(OCC)C2)c1 ZINC000558424140 327093274 /nfs/dbraw/zinc/09/32/74/327093274.db2.gz YUXNBIYUANJXTI-UHFFFAOYSA-N 0 3 275.392 3.251 20 30 CGEDHN C=C(C)CCNCc1cnn(-c2ccc(F)cc2)c1 ZINC000449477499 327246799 /nfs/dbraw/zinc/24/67/99/327246799.db2.gz PAZZQWMICTXTGB-UHFFFAOYSA-N 0 3 259.328 3.067 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(Br)c2)C1 ZINC000335283579 327408312 /nfs/dbraw/zinc/40/83/12/327408312.db2.gz OHTDVVFFDFPOLZ-GXFFZTMASA-N 0 3 279.181 3.231 20 30 CGEDHN C[C@H](CCOCc1ccccc1)NC[C@H](C#N)CCC#N ZINC000582237353 328839825 /nfs/dbraw/zinc/83/98/25/328839825.db2.gz YCGRSIXXGQJLGN-WBVHZDCISA-N 0 3 285.391 3.015 20 30 CGEDHN CC1(C)CN(CCCCC#N)Cc2ccccc2O1 ZINC000377547101 329018249 /nfs/dbraw/zinc/01/82/49/329018249.db2.gz ZOLIVMAXZWNTAE-UHFFFAOYSA-N 0 3 258.365 3.353 20 30 CGEDHN CC[C@@H](O)[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000177163575 329180961 /nfs/dbraw/zinc/18/09/61/329180961.db2.gz AOUSZUOVKNCQQM-IAGOWNOFSA-N 0 3 291.822 3.317 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2cc(F)ccc2F)CC1 ZINC000177905629 329190192 /nfs/dbraw/zinc/19/01/92/329190192.db2.gz LWNJAFBBYMMAJI-GFCCVEGCSA-N 0 3 280.362 3.266 20 30 CGEDHN C=CCSCCN[C@@H](CCC)c1ccccn1 ZINC000180455469 329217197 /nfs/dbraw/zinc/21/71/97/329217197.db2.gz UWADJCNTBMVQCT-ZDUSSCGKSA-N 0 3 250.411 3.432 20 30 CGEDHN COc1cc(Br)ccc1CNCCCCC#N ZINC000180931704 329224125 /nfs/dbraw/zinc/22/41/25/329224125.db2.gz ACCUQVHBQLPJBB-UHFFFAOYSA-N 0 3 297.196 3.241 20 30 CGEDHN C=C(C)CN(C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000181049885 329225565 /nfs/dbraw/zinc/22/55/65/329225565.db2.gz LNZRNSXAYUFMJR-UHFFFAOYSA-N 0 3 269.772 3.365 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000181342111 329231934 /nfs/dbraw/zinc/23/19/34/329231934.db2.gz ULJFLXQEPJXVAH-MRXNPFEDSA-N 0 3 299.418 3.175 20 30 CGEDHN CC#CCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000185041328 329264836 /nfs/dbraw/zinc/26/48/36/329264836.db2.gz SXIZYIMQUVYJED-SFHVURJKSA-N 0 3 298.430 3.133 20 30 CGEDHN C#Cc1cccc(NC2CCN(Cc3ccncc3)CC2)c1 ZINC000188079689 329364315 /nfs/dbraw/zinc/36/43/15/329364315.db2.gz IIUBNCYUNACFOJ-UHFFFAOYSA-N 0 3 291.398 3.139 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1cnc2ccsc2c1 ZINC000321527394 329370511 /nfs/dbraw/zinc/37/05/11/329370511.db2.gz YDTQFSGIQYIDNI-DGCLKSJQSA-N 0 3 276.405 3.274 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2-n2ccnc2)C1 ZINC000192727012 329435724 /nfs/dbraw/zinc/43/57/24/329435724.db2.gz XAZITHSZGWVUBO-GOEBONIOSA-N 0 3 280.375 3.044 20 30 CGEDHN N#CCCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000399324062 329451010 /nfs/dbraw/zinc/45/10/10/329451010.db2.gz JHCDUSLARCQLCD-UHFFFAOYSA-N 0 3 287.363 3.153 20 30 CGEDHN CCc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000583757334 329474411 /nfs/dbraw/zinc/47/44/11/329474411.db2.gz NFKMKXWVYVFVSY-UHFFFAOYSA-N 0 3 256.374 3.472 20 30 CGEDHN COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248917260 329902379 /nfs/dbraw/zinc/90/23/79/329902379.db2.gz WGAIJHXQLRLYND-KBMXLJTQSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCCCCCN(C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000273008547 330090050 /nfs/dbraw/zinc/09/00/50/330090050.db2.gz RZNQLJKMXKVJJP-OAHLLOKOSA-N 0 3 293.455 3.025 20 30 CGEDHN C=C(C)CN1CCC(N[C@H](C)c2ccncc2Cl)CC1 ZINC000421840279 330093480 /nfs/dbraw/zinc/09/34/80/330093480.db2.gz YNRANPKKYZZKBU-CYBMUJFWSA-N 0 3 293.842 3.426 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000423950464 330217161 /nfs/dbraw/zinc/21/71/61/330217161.db2.gz YJIXLIGPBMNOJR-QGZVFWFLSA-N 0 3 286.419 3.133 20 30 CGEDHN C=CCN(CCc1ccccc1)CCC(C)(C)C(=O)OC ZINC000527218507 330238486 /nfs/dbraw/zinc/23/84/86/330238486.db2.gz XXHYYKKECQQASU-UHFFFAOYSA-N 0 3 289.419 3.306 20 30 CGEDHN C=C(CC)CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763297 330257411 /nfs/dbraw/zinc/25/74/11/330257411.db2.gz VDFYEIRUAXJXAM-UHFFFAOYSA-N 0 3 269.392 3.256 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000527974919 330301844 /nfs/dbraw/zinc/30/18/44/330301844.db2.gz VPBRBTYJRQECRE-YNEHKIRRSA-N 0 3 274.364 3.047 20 30 CGEDHN C=CCn1cc(CN[C@H](CCC(C)C)C(C)(C)C)nn1 ZINC000424301420 330337941 /nfs/dbraw/zinc/33/79/41/330337941.db2.gz ZVYMXCBWVUNBPZ-OAHLLOKOSA-N 0 3 278.444 3.405 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000424323294 330340570 /nfs/dbraw/zinc/34/05/70/330340570.db2.gz IXTWMCFLRJLJRM-GARJFASQSA-N 0 3 282.409 3.181 20 30 CGEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cn1 ZINC000424327556 330341723 /nfs/dbraw/zinc/34/17/23/330341723.db2.gz MVUQVFVGBKWTTG-LNSITVRQSA-N 0 3 261.344 3.200 20 30 CGEDHN C=CCC[C@H](CC)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000424330145 330342196 /nfs/dbraw/zinc/34/21/96/330342196.db2.gz QJFPEMVHICWORF-QWRGUYRKSA-N 0 3 282.409 3.325 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000090883932 330396611 /nfs/dbraw/zinc/39/66/11/330396611.db2.gz VTHMSUASYKOTBW-JTQLQIEISA-N 0 3 273.298 3.347 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000429701243 330552749 /nfs/dbraw/zinc/55/27/49/330552749.db2.gz TYCMSWAWMQDVHL-YVEFUNNKSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCCCCCN1CCC(C(=O)OCC)CC1 ZINC000194359458 330842000 /nfs/dbraw/zinc/84/20/00/330842000.db2.gz CXJMIAVMWDYLNR-UHFFFAOYSA-N 0 3 253.386 3.008 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H](CCO)c1ccco1 ZINC000449249194 330909699 /nfs/dbraw/zinc/90/96/99/330909699.db2.gz LEIUDIOQYQFCHN-ZIAGYGMSSA-N 0 3 251.370 3.428 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2cc(OC)ccc2o1 ZINC000449548828 330935762 /nfs/dbraw/zinc/93/57/62/330935762.db2.gz RBLZOUMOFUUWOG-CVEARBPZSA-N 0 3 287.359 3.265 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Cl)s1 ZINC000451612112 331036986 /nfs/dbraw/zinc/03/69/86/331036986.db2.gz ZDECJYABFGBJLP-AEJSXWLSSA-N 0 3 257.786 3.396 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000451670476 331038255 /nfs/dbraw/zinc/03/82/55/331038255.db2.gz CWSVJZIFWDNLDB-CVEARBPZSA-N 0 3 275.779 3.015 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000163511895 331049477 /nfs/dbraw/zinc/04/94/77/331049477.db2.gz XNSXGNVKSXKWHZ-AWEZNQCLSA-N 0 3 259.393 3.419 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000452009513 331050259 /nfs/dbraw/zinc/05/02/59/331050259.db2.gz CQGFFFOXFSLOFQ-HZPDHXFCSA-N 0 3 277.795 3.239 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](Cn1cccn1)C(C)C ZINC000453103564 331089516 /nfs/dbraw/zinc/08/95/16/331089516.db2.gz BEWADGPKVGVEEL-KRWDZBQOSA-N 0 3 299.418 3.262 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](COC)c1ccc(Cl)cc1 ZINC000453329454 331117638 /nfs/dbraw/zinc/11/76/38/331117638.db2.gz AEEIQMOPBPHMDH-PMPSAXMXSA-N 0 3 295.810 3.351 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1sccc1OC ZINC000453335051 331118269 /nfs/dbraw/zinc/11/82/69/331118269.db2.gz FIWTVXXULSQWHI-TUAOUCFPSA-N 0 3 267.394 3.141 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)cc1N(C)C ZINC000453379978 331125485 /nfs/dbraw/zinc/12/54/85/331125485.db2.gz ZGGYDHDEZIXLPO-VMGRFDJRSA-N 0 3 292.398 3.276 20 30 CGEDHN CCN1C[C@H](C)N(CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000459480236 331284158 /nfs/dbraw/zinc/28/41/58/331284158.db2.gz OVRDKSWEKFLWDQ-GJZGRUSLSA-N 0 3 290.838 3.106 20 30 CGEDHN C=CCOCCN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459544005 331286967 /nfs/dbraw/zinc/28/69/67/331286967.db2.gz NAMWFCLEUYOJRK-KRWDZBQOSA-N 0 3 289.419 3.073 20 30 CGEDHN CC(C)CN(Cc1cnn(C)c1)Cc1ccc(CC#N)cc1 ZINC000459596173 331289904 /nfs/dbraw/zinc/28/99/04/331289904.db2.gz NWEGGFODAFNFGW-UHFFFAOYSA-N 0 3 296.418 3.144 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc2ncccc2c1 ZINC000459699783 331295020 /nfs/dbraw/zinc/29/50/20/331295020.db2.gz SDVNRWWITUYGPT-UHFFFAOYSA-N 0 3 253.349 3.264 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCCNc2ccccc21 ZINC000459731338 331296604 /nfs/dbraw/zinc/29/66/04/331296604.db2.gz NMKCELLBTQNFIK-HNNXBMFYSA-N 0 3 257.381 3.463 20 30 CGEDHN CC[C@@H]1OCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000459735815 331296809 /nfs/dbraw/zinc/29/68/09/331296809.db2.gz FFRJEAKKNPZUDX-SJORKVTESA-N 0 3 288.391 3.026 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc2c(c1)OCCCCO2 ZINC000459737125 331296967 /nfs/dbraw/zinc/29/69/67/331296967.db2.gz VRXUVOZJXHBEQC-UHFFFAOYSA-N 0 3 288.391 3.267 20 30 CGEDHN CC#CCCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000464434590 331360424 /nfs/dbraw/zinc/36/04/24/331360424.db2.gz ALPMNDJMOXPMDE-SJLPKXTDSA-N 0 3 298.430 3.132 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2(CC)CCCC2)CC1 ZINC000464990332 331375317 /nfs/dbraw/zinc/37/53/17/331375317.db2.gz XKVLEADTQBZSGX-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(CNC/C=C/c1ccncc1)c1ccccc1 ZINC000486958772 331952118 /nfs/dbraw/zinc/95/21/18/331952118.db2.gz STPKYXYZEJJJJD-AATRIKPKSA-N 0 3 250.345 3.398 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1cc(C)ccc1C ZINC000489489993 332055947 /nfs/dbraw/zinc/05/59/47/332055947.db2.gz BWOXKALOORQCOZ-IRXDYDNUSA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000489510936 332057646 /nfs/dbraw/zinc/05/76/46/332057646.db2.gz MSFQNILQLXAPRO-OAHLLOKOSA-N 0 3 294.345 3.334 20 30 CGEDHN C#C[C@@H](NC1CCC(COC)CC1)c1ccc(F)cc1 ZINC000491725666 332309811 /nfs/dbraw/zinc/30/98/11/332309811.db2.gz IIHUPFDXYYTTAJ-QWFMPGPPSA-N 0 3 275.367 3.295 20 30 CGEDHN C=C(CC)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000494382256 332471851 /nfs/dbraw/zinc/47/18/51/332471851.db2.gz REBGOKPEPCDJLE-UHFFFAOYSA-N 0 3 282.428 3.284 20 30 CGEDHN CC#CCCNCc1ccc(OC(F)F)c(Cl)c1 ZINC000499217371 332582708 /nfs/dbraw/zinc/58/27/08/332582708.db2.gz VNFILISGQASLQR-UHFFFAOYSA-N 0 3 273.710 3.444 20 30 CGEDHN C=C(CC)CN1CCC(N2CCc3ccccc32)CC1 ZINC000503408305 332688662 /nfs/dbraw/zinc/68/86/62/332688662.db2.gz RSIVEBCZLZXZPK-UHFFFAOYSA-N 0 3 270.420 3.480 20 30 CGEDHN CCO[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)C1(CC)CC ZINC000178666390 333076495 /nfs/dbraw/zinc/07/64/95/333076495.db2.gz MFEXUBDDHGYCBH-SOUVJXGZSA-N 0 3 277.412 3.003 20 30 CGEDHN C=CCN(Cc1cncc(CN(CC=C)C2CC2)c1)C1CC1 ZINC000575831330 335120603 /nfs/dbraw/zinc/12/06/03/335120603.db2.gz CHBXOXWLKMDZIL-UHFFFAOYSA-N 0 3 297.446 3.382 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cccc3cccnc32)C1 ZINC000185882693 333150958 /nfs/dbraw/zinc/15/09/58/333150958.db2.gz FAVQNBJMWRLWCB-CJNGLKHVSA-N 0 3 265.360 3.407 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](O)CC(C)(C)C)cc1 ZINC000227375019 333282028 /nfs/dbraw/zinc/28/20/28/333282028.db2.gz OLZXWPIKMQNVHL-HNNXBMFYSA-N 0 3 277.408 3.138 20 30 CGEDHN CC(C)N(CCC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000522585035 333291181 /nfs/dbraw/zinc/29/11/81/333291181.db2.gz FBWGZSUZUBIQFL-UHFFFAOYSA-N 0 3 299.418 3.047 20 30 CGEDHN CC[C@H](CC#N)NC[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000230944041 333322935 /nfs/dbraw/zinc/32/29/35/333322935.db2.gz WZKSQXLHEJGRHN-ZIAGYGMSSA-N 0 3 297.443 3.065 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000538332513 333585447 /nfs/dbraw/zinc/58/54/47/333585447.db2.gz GCPFPUMZFAFYOT-HOTGVXAUSA-N 0 3 280.456 3.358 20 30 CGEDHN Cc1ccc(OCCCCNCc2ccc(C#N)o2)cc1 ZINC000174276420 335151853 /nfs/dbraw/zinc/15/18/53/335151853.db2.gz KQUBRYAOPOEMHP-UHFFFAOYSA-N 0 3 284.359 3.409 20 30 CGEDHN CC(C)n1ncc2cc(CN3CCC(CC#N)CC3)cnc21 ZINC000541922431 333801059 /nfs/dbraw/zinc/80/10/59/333801059.db2.gz ZMODXSUNKIAKPB-UHFFFAOYSA-N 0 3 297.406 3.138 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OC)c(OC)c1C ZINC000564295176 334003826 /nfs/dbraw/zinc/00/38/26/334003826.db2.gz XCRFLQDOVRDQTK-UHFFFAOYSA-N 0 3 263.381 3.410 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@H](SC)C1 ZINC000134588692 334095958 /nfs/dbraw/zinc/09/59/58/334095958.db2.gz LUSCONZUWQEQNB-GJZGRUSLSA-N 0 3 298.496 3.017 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134820402 334105032 /nfs/dbraw/zinc/10/50/32/334105032.db2.gz IRJLONZSSHDOFA-OAHLLOKOSA-N 0 3 261.340 3.439 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000547864500 334128120 /nfs/dbraw/zinc/12/81/20/334128120.db2.gz IZIKSJJCRBQAPJ-INIZCTEOSA-N 0 3 278.440 3.088 20 30 CGEDHN CCc1cccc2c(CCNC[C@@H](C#N)CCC#N)c[nH]c21 ZINC000548786916 334173947 /nfs/dbraw/zinc/17/39/47/334173947.db2.gz FPVALBXPVZZWHM-CQSZACIVSA-N 0 3 294.402 3.306 20 30 CGEDHN C=CCOCCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550009883 334211174 /nfs/dbraw/zinc/21/11/74/334211174.db2.gz GPVIFUMTUIYYNJ-MRXNPFEDSA-N 0 3 295.810 3.386 20 30 CGEDHN COc1cccc2c1CC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000248993944 334323970 /nfs/dbraw/zinc/32/39/70/334323970.db2.gz OJHPXFHSOSCQFT-WWGRRREGSA-N 0 3 270.376 3.354 20 30 CGEDHN CCc1noc(CC)c1CNCC(C)(C)CCC#N ZINC000088745647 334341083 /nfs/dbraw/zinc/34/10/83/334341083.db2.gz QRNGTJOSDNVPSX-UHFFFAOYSA-N 0 3 263.385 3.219 20 30 CGEDHN C=CCC[C@H](CC)NCc1cn2cccc(C)c2n1 ZINC000090045076 334356428 /nfs/dbraw/zinc/35/64/28/334356428.db2.gz QWOJZUBCTYDKAI-AWEZNQCLSA-N 0 3 257.381 3.477 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)cs2)C12CCCC2 ZINC000177707955 335380526 /nfs/dbraw/zinc/38/05/26/335380526.db2.gz LMSZRXOREIFUMJ-CABCVRRESA-N 0 3 290.432 3.447 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc(C)cc1 ZINC000182326121 335810701 /nfs/dbraw/zinc/81/07/01/335810701.db2.gz WYKADVDYXOGVFF-HNNXBMFYSA-N 0 3 274.408 3.070 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)c(C)c1 ZINC000581170610 336018718 /nfs/dbraw/zinc/01/87/18/336018718.db2.gz OWFFYQLHPYZXBI-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C=C(C)CCNCc1csc(-c2ccccn2)n1 ZINC000386767343 336178420 /nfs/dbraw/zinc/17/84/20/336178420.db2.gz JRQRFBLEDJHELJ-UHFFFAOYSA-N 0 3 259.378 3.261 20 30 CGEDHN CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1c(C)nn(C)c1C ZINC000447536388 500737997 /nfs/dbraw/zinc/73/79/97/500737997.db2.gz MUXHZNAUPCFDKM-ILXRZTDVSA-N 0 3 274.412 3.160 20 30 CGEDHN COc1cc(CN[C@@H]2C[C@@H]2Cc2ccccc2)ccc1C#N ZINC000440824073 533898712 /nfs/dbraw/zinc/89/87/12/533898712.db2.gz GNBUMBUCFCHWDA-ZWKOTPCHSA-N 0 3 292.382 3.288 20 30 CGEDHN Cc1cc(C)n(CCN(C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425536461 534109004 /nfs/dbraw/zinc/10/90/04/534109004.db2.gz OPUMOFUJHQTVGK-OAHLLOKOSA-N 0 3 282.391 3.065 20 30 CGEDHN C[C@@H](F)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000367589265 534276698 /nfs/dbraw/zinc/27/66/98/534276698.db2.gz ZDJNWHQVEPZQQL-GFCCVEGCSA-N 0 3 294.345 3.289 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000347100882 534284430 /nfs/dbraw/zinc/28/44/30/534284430.db2.gz CNTUQORMHLIZLV-IUODEOHRSA-N 0 3 256.349 3.194 20 30 CGEDHN Cc1occc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000414375605 534569685 /nfs/dbraw/zinc/56/96/85/534569685.db2.gz XSCDSZUZDCDHNS-UHFFFAOYSA-N 0 3 295.386 3.172 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](CC2CC2)C1 ZINC000339677909 522035217 /nfs/dbraw/zinc/03/52/17/522035217.db2.gz FGNFHLALPMQMEY-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000353880651 526890649 /nfs/dbraw/zinc/89/06/49/526890649.db2.gz JVQABWXEHJQOJI-GJZGRUSLSA-N 0 3 256.349 3.033 20 30 CGEDHN C=CCOc1cccc(CN(C)C[C@@H]2CCCCO2)c1 ZINC000352675883 526896798 /nfs/dbraw/zinc/89/67/98/526896798.db2.gz GCMSYBVOPGWMNG-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOc1ccccc1CN(CCC)CC(C)(C)O ZINC000353421052 526930032 /nfs/dbraw/zinc/93/00/32/526930032.db2.gz XJOATGPYKUDBBN-UHFFFAOYSA-N 0 3 277.408 3.234 20 30 CGEDHN C=CCCC1(C(=O)NCCN2CCCC[C@H]2CC)CC1 ZINC000356103720 527088219 /nfs/dbraw/zinc/08/82/19/527088219.db2.gz ZHVXLKFUSZUYEF-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCCCN(C)Cc1cnc2n[nH]c(C)c2c1 ZINC000353883172 527129507 /nfs/dbraw/zinc/12/95/07/527129507.db2.gz SBOINDLBYTWFPX-UHFFFAOYSA-N 0 3 272.396 3.445 20 30 CGEDHN C=CCCCN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000344534410 527193434 /nfs/dbraw/zinc/19/34/34/527193434.db2.gz ZTPACYRCTODRRP-INIZCTEOSA-N 0 3 272.392 3.080 20 30 CGEDHN C=CCC[C@@H](NCCCNC(=O)C(C)C)c1ccco1 ZINC000353622276 527447235 /nfs/dbraw/zinc/44/72/35/527447235.db2.gz NIFZSXZYGDWJLU-CQSZACIVSA-N 0 3 278.396 3.039 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCN(C2CC2)C1)c1ccco1 ZINC000353514360 527488786 /nfs/dbraw/zinc/48/87/86/527488786.db2.gz GGFNPDVPHMQZAX-ZFWWWQNUSA-N 0 3 260.381 3.113 20 30 CGEDHN CC(C)(C)CN(CCCO)Cc1ccc(C#N)cc1Cl ZINC000439418107 527683206 /nfs/dbraw/zinc/68/32/06/527683206.db2.gz FIEWFAUOMXLSGB-UHFFFAOYSA-N 0 3 294.826 3.442 20 30 CGEDHN CCO[C@@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000194465522 527735604 /nfs/dbraw/zinc/73/56/04/527735604.db2.gz OJNYLOWRFMRCJV-INIZCTEOSA-N 0 3 286.400 3.487 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000414150410 528085154 /nfs/dbraw/zinc/08/51/54/528085154.db2.gz UZADELVZBZSDHW-TUKIKUTGSA-N 0 3 276.355 3.304 20 30 CGEDHN CCN(CCOCC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000159315236 528565442 /nfs/dbraw/zinc/56/54/42/528565442.db2.gz PCLWXARZKPUVFK-AWEZNQCLSA-N 0 3 272.392 3.368 20 30 CGEDHN CC(C)[C@@H]1C[C@H](CNC(=O)C(C)C#N)c2ccccc21 ZINC000344716715 528780011 /nfs/dbraw/zinc/78/00/11/528780011.db2.gz NHFBLCXXVUKDDL-IOASZLSFSA-N 0 3 270.376 3.189 20 30 CGEDHN CCSc1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000347132777 529247757 /nfs/dbraw/zinc/24/77/57/529247757.db2.gz JZPYKBSKORBLBJ-QWRGUYRKSA-N 0 3 262.378 3.135 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000354648927 529301113 /nfs/dbraw/zinc/30/11/13/529301113.db2.gz NNGRNNGBZYXIEA-UMVBOHGHSA-N 0 3 290.407 3.478 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000741461856 572411438 /nfs/dbraw/zinc/41/14/38/572411438.db2.gz RQMIDOXDGRCONL-SECBINFHSA-N 0 3 296.758 3.130 20 30 CGEDHN CCCCCCCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000732036869 572446537 /nfs/dbraw/zinc/44/65/37/572446537.db2.gz YDMDIUDMMRDRHI-INIZCTEOSA-N 0 3 280.456 3.432 20 30 CGEDHN C[C@@H]1C[C@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000740885072 572466790 /nfs/dbraw/zinc/46/67/90/572466790.db2.gz YNVIKOZVOUPLNO-NEPJUHHUSA-N 0 3 278.783 3.473 20 30 CGEDHN Clc1ccc([C@@H]2CCCC2=Nn2cnnc2)cc1 ZINC000741451685 572498663 /nfs/dbraw/zinc/49/86/63/572498663.db2.gz UGZOLXOBMMQJRU-LBPRGKRZSA-N 0 3 260.728 3.103 20 30 CGEDHN C#CCCCNCc1cc(C(F)(F)F)ccc1F ZINC000742385070 572574050 /nfs/dbraw/zinc/57/40/50/572574050.db2.gz IGFCYANPBNEPFE-UHFFFAOYSA-N 0 3 259.246 3.348 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)C(C)(C)C)CC1 ZINC000734531281 572664533 /nfs/dbraw/zinc/66/45/33/572664533.db2.gz ZVIUKJFVDBLBJZ-CQSZACIVSA-N 0 3 295.471 3.008 20 30 CGEDHN C=CC1CCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000743849528 572689714 /nfs/dbraw/zinc/68/97/14/572689714.db2.gz SPNQNOYQKFNJNF-GOSISDBHSA-N 0 3 298.430 3.388 20 30 CGEDHN CCCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735305364 572714152 /nfs/dbraw/zinc/71/41/52/572714152.db2.gz XOLDSIOCXMJBFC-UHFFFAOYSA-N 0 3 266.772 3.474 20 30 CGEDHN Cc1cc(F)ccc1[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000746656186 572888157 /nfs/dbraw/zinc/88/81/57/572888157.db2.gz UPWYZVNRSCWQQW-GOSISDBHSA-N 0 3 298.361 3.171 20 30 CGEDHN Cc1cc(F)ccc1[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000747820374 572950554 /nfs/dbraw/zinc/95/05/54/572950554.db2.gz BVFGOZIRXXGHGQ-SCLBCKFNSA-N 0 3 298.361 3.390 20 30 CGEDHN COc1ccc(CN(C)CCc2ccccc2F)cc1C#N ZINC000749514678 573015029 /nfs/dbraw/zinc/01/50/29/573015029.db2.gz RQQAFZNHZDOZIF-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN C[C@@H]1CC(=Nn2cnnc2)C[C@H](c2ccccc2)C1 ZINC000749849779 573047959 /nfs/dbraw/zinc/04/79/59/573047959.db2.gz GEGPNXMJOBHNMX-GXTWGEPZSA-N 0 3 254.337 3.086 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894040 608488042 /nfs/dbraw/zinc/48/80/42/608488042.db2.gz FTUFYTRTEPOUPR-QWHCGFSZSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894040 608488044 /nfs/dbraw/zinc/48/80/44/608488044.db2.gz FTUFYTRTEPOUPR-QWHCGFSZSA-N 0 3 285.395 3.262 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC000970944337 613300549 /nfs/dbraw/zinc/30/05/49/613300549.db2.gz GQBAYKYQRJITHW-CQSZACIVSA-N 0 3 298.430 3.190 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccsc2Cl)C1 ZINC000970531779 613300726 /nfs/dbraw/zinc/30/07/26/613300726.db2.gz LPNIOSJNUYNEQL-SNVBAGLBSA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000970947550 613301986 /nfs/dbraw/zinc/30/19/86/613301986.db2.gz MABFACASLQGNFW-HOCLYGCPSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC000981104229 613307665 /nfs/dbraw/zinc/30/76/65/613307665.db2.gz UXFZIFJEUFNIEW-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965859072 613333336 /nfs/dbraw/zinc/33/33/36/613333336.db2.gz GMKLSQHPZHRSNV-UONOGXRCSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000963255704 613374350 /nfs/dbraw/zinc/37/43/50/613374350.db2.gz ZTMZKBMCTKLXIO-HUUCEWRRSA-N 0 3 298.858 3.098 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972762764 613546650 /nfs/dbraw/zinc/54/66/50/613546650.db2.gz HRDBRCYGMVSWSJ-CYBMUJFWSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC000968913447 613683538 /nfs/dbraw/zinc/68/35/38/613683538.db2.gz GMXGJAOIKXXJDV-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC000968793620 613685578 /nfs/dbraw/zinc/68/55/78/613685578.db2.gz JFYNRGNJNHQVAO-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC000968991510 613686413 /nfs/dbraw/zinc/68/64/13/613686413.db2.gz ZOKXBOQJJGJQRW-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2Cl)C[C@@H]1C ZINC000947329270 613762985 /nfs/dbraw/zinc/76/29/85/613762985.db2.gz WGRGUTFYFKQPRF-WDEREUQCSA-N 0 3 298.839 3.170 20 30 CGEDHN C(=NOCC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000255082541 617915015 /nfs/dbraw/zinc/91/50/15/617915015.db2.gz WTESFWZGFYXBFT-UHFFFAOYSA-N 0 3 288.391 3.064 20 30 CGEDHN C#CCC1(NCc2cc(-c3ccccc3)no2)CCC1 ZINC000933302707 618197374 /nfs/dbraw/zinc/19/73/74/618197374.db2.gz VXCLFHSLTGYMLL-UHFFFAOYSA-N 0 3 266.344 3.377 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC001022332883 618294729 /nfs/dbraw/zinc/29/47/29/618294729.db2.gz HXTPVUFVVNRPGZ-BYNSBNAKSA-N 0 3 298.858 3.192 20 30 CGEDHN Cc1cc(CNCc2cccc(C#N)c2)c2c(n1)CCCC2 ZINC000892546644 618859409 /nfs/dbraw/zinc/85/94/09/618859409.db2.gz MTGAHRAVQHMXGI-UHFFFAOYSA-N 0 3 291.398 3.430 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(F)cc1C(F)(F)F ZINC000229899390 618870019 /nfs/dbraw/zinc/87/00/19/618870019.db2.gz AFHJMLICRCYFGY-NSHDSACASA-N 0 3 259.246 3.346 20 30 CGEDHN C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000926835971 618923439 /nfs/dbraw/zinc/92/34/39/618923439.db2.gz ATCGSRXFFUMBGW-LALPHHSUSA-N 0 3 261.340 3.374 20 30 CGEDHN C[C@H](C[C@H](O)c1ccc(F)cc1)NCC#Cc1ccccc1 ZINC000893267189 619054001 /nfs/dbraw/zinc/05/40/01/619054001.db2.gz KTCRKKZXKQWJNB-BEFAXECRSA-N 0 3 297.373 3.279 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000893274840 619058907 /nfs/dbraw/zinc/05/89/07/619058907.db2.gz LKFIYYLCGCTHQG-OAGGEKHMSA-N 0 3 289.469 3.007 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008763205 619159034 /nfs/dbraw/zinc/15/90/34/619159034.db2.gz XWFKSNUPASTIJM-GFCCVEGCSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000313496866 619175233 /nfs/dbraw/zinc/17/52/33/619175233.db2.gz JPKMQAWGQWMKDE-CQSZACIVSA-N 0 3 255.365 3.489 20 30 CGEDHN CCCCCCCCC(=O)NCCN1CCCCC1 ZINC000105117497 619228941 /nfs/dbraw/zinc/22/89/41/619228941.db2.gz XRAUYCKOYFGISW-UHFFFAOYSA-N 0 3 268.445 3.339 20 30 CGEDHN CC(C)(C#N)CN[C@H]1CCOC2(CCCCC2)C1 ZINC000894454462 619542677 /nfs/dbraw/zinc/54/26/77/619542677.db2.gz PHMJWERVQCOWRI-ZDUSSCGKSA-N 0 3 250.386 3.008 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894573590 619580119 /nfs/dbraw/zinc/58/01/19/619580119.db2.gz FIJUMNKNKCJKJU-SECBINFHSA-N 0 3 264.781 3.403 20 30 CGEDHN C#Cc1cccc(CNCc2cccc3c2NCCC3)c1 ZINC000894945137 619684943 /nfs/dbraw/zinc/68/49/43/619684943.db2.gz ZVTBVQPYFLSZNS-UHFFFAOYSA-N 0 3 276.383 3.316 20 30 CGEDHN N#CC1(CNC[C@@H]2CCc3ccccc32)CCCC1 ZINC000895142892 619752987 /nfs/dbraw/zinc/75/29/87/619752987.db2.gz VONLJIMYXUYVBL-HNNXBMFYSA-N 0 3 254.377 3.390 20 30 CGEDHN C=CCCCCCNCc1cn(Cc2ccccc2)nn1 ZINC000895208818 619781133 /nfs/dbraw/zinc/78/11/33/619781133.db2.gz MXEVCSZEUXLALT-UHFFFAOYSA-N 0 3 284.407 3.162 20 30 CGEDHN COc1cc(CN2CC[C@H](c3nccs3)C2)ccc1C#N ZINC000895582326 619856425 /nfs/dbraw/zinc/85/64/25/619856425.db2.gz RDVJPNSSANZKDG-AWEZNQCLSA-N 0 3 299.399 3.013 20 30 CGEDHN C=C1CCC(C(=O)Nc2ccccc2CN(C)C)CC1 ZINC000895689407 619870433 /nfs/dbraw/zinc/87/04/33/619870433.db2.gz RUQWBCIWJGMSAV-UHFFFAOYSA-N 0 3 272.392 3.433 20 30 CGEDHN C=CCC1(O)CCN(Cc2cc3ccccc3n2C)CC1 ZINC000895833922 619894791 /nfs/dbraw/zinc/89/47/91/619894791.db2.gz FUDYDDYXNASFJF-UHFFFAOYSA-N 0 3 284.403 3.081 20 30 CGEDHN C=CCC1(O)CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000895834996 619895113 /nfs/dbraw/zinc/89/51/13/619895113.db2.gz VQHBPAVAHZVBJG-UHFFFAOYSA-N 0 3 297.801 3.425 20 30 CGEDHN CC[C@H](NCC#Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000895949377 619915442 /nfs/dbraw/zinc/91/54/42/619915442.db2.gz WDLKCAUHDLIYJW-OALUTQOASA-N 0 3 279.383 3.140 20 30 CGEDHN N#Cc1csc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000896234023 619972413 /nfs/dbraw/zinc/97/24/13/619972413.db2.gz YWNNYHYUZGKXSI-WBVHZDCISA-N 0 3 280.396 3.393 20 30 CGEDHN FC(F)(F)[C@@H]1CCC[C@@H](CNCC#Cc2ccccc2)O1 ZINC000896824264 620071361 /nfs/dbraw/zinc/07/13/61/620071361.db2.gz SIYTYJKYYOELOO-GJZGRUSLSA-N 0 3 297.320 3.128 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CC2=CCOCC2)c([O-])c1 ZINC000840707549 620090303 /nfs/dbraw/zinc/09/03/03/620090303.db2.gz POVWJTTZWBVNGA-AQTBWJFISA-N 0 3 288.391 3.004 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cc(C(F)(F)F)n(C)n2)C1 ZINC000898020698 620467527 /nfs/dbraw/zinc/46/75/27/620467527.db2.gz FIYMJCLSNUJZQR-QWRGUYRKSA-N 0 3 287.329 3.273 20 30 CGEDHN C#Cc1ccc(NC2CCN(CCC(F)(F)F)CC2)cc1 ZINC000898505707 620593376 /nfs/dbraw/zinc/59/33/76/620593376.db2.gz OCDDSABPWPMOAW-UHFFFAOYSA-N 0 3 296.336 3.497 20 30 CGEDHN CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c(C)cc(N)cc1C ZINC000901298219 620855867 /nfs/dbraw/zinc/85/58/67/620855867.db2.gz BUFXZSIPSUHAQQ-YWVIFJGQSA-N 0 3 289.423 3.155 20 30 CGEDHN CNc1ccc(C)cc1CNCc1ccc(CC#N)cc1 ZINC000902604531 621384422 /nfs/dbraw/zinc/38/44/22/621384422.db2.gz NQPWEXFWOBUGHJ-UHFFFAOYSA-N 0 3 279.387 3.393 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000902816829 621463822 /nfs/dbraw/zinc/46/38/22/621463822.db2.gz RUAJKMXZUQQUQT-LRDDRELGSA-N 0 3 268.364 3.094 20 30 CGEDHN Cc1csc([C@H](C)CN[C@H](C)c2cc(C#N)ccn2)n1 ZINC000902952239 621503752 /nfs/dbraw/zinc/50/37/52/621503752.db2.gz VKNDYQCISUPQOB-ZYHUDNBSSA-N 0 3 286.404 3.173 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000902960914 621506700 /nfs/dbraw/zinc/50/67/00/621506700.db2.gz ZWVYTZUTOLBYFH-QRTARXTBSA-N 0 3 287.407 3.198 20 30 CGEDHN COC1(CN[C@H](C)c2cc(C#N)ccn2)CCC(C)CC1 ZINC000902975414 621518255 /nfs/dbraw/zinc/51/82/55/621518255.db2.gz FUFFEPJUBZLMPP-XOYHFGRZSA-N 0 3 287.407 3.199 20 30 CGEDHN C[C@H](NC[C@@]1(C)CC1(Cl)Cl)c1cc(C#N)ccn1 ZINC000903008054 621531305 /nfs/dbraw/zinc/53/13/05/621531305.db2.gz LCKDKSGVONZIMK-JOYOIKCWSA-N 0 3 284.190 3.188 20 30 CGEDHN CC(C)[C@@H](COCc1ccccc1)NCC(C)(C)C#N ZINC000903101376 621574614 /nfs/dbraw/zinc/57/46/14/621574614.db2.gz GOBXIIOAWNOJKN-MRXNPFEDSA-N 0 3 274.408 3.367 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cccc(O)c32)CCCC1 ZINC000903108640 621581873 /nfs/dbraw/zinc/58/18/73/621581873.db2.gz FVMNNJCHHRJJTO-CYBMUJFWSA-N 0 3 256.349 3.053 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](c2ncccn2)C2CC2)C1 ZINC000903321632 621676283 /nfs/dbraw/zinc/67/62/83/621676283.db2.gz BGWAEVJTOXMHAD-BPLDGKMQSA-N 0 3 257.381 3.262 20 30 CGEDHN C[C@H](NCc1ccc(CCO)cc1)c1ccc(C#N)c(F)c1 ZINC000903404030 621741931 /nfs/dbraw/zinc/74/19/31/621741931.db2.gz XIMKWQJLDNZIDB-ZDUSSCGKSA-N 0 3 298.361 3.083 20 30 CGEDHN CCCc1ccc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905083884 622033378 /nfs/dbraw/zinc/03/33/78/622033378.db2.gz HAUHYNRKXCVKHI-PPLKPFPSSA-N 0 3 273.361 3.133 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(C)(C)C ZINC000911646129 622541808 /nfs/dbraw/zinc/54/18/08/622541808.db2.gz LKVSKPVZKBIDFP-LBPRGKRZSA-N 0 3 280.799 3.393 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1C ZINC000911918144 622563020 /nfs/dbraw/zinc/56/30/20/622563020.db2.gz STNURBDPOJYUQW-GFCCVEGCSA-N 0 3 266.772 3.271 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000912353571 622639923 /nfs/dbraw/zinc/63/99/23/622639923.db2.gz UOZIKBZFVWAABM-XHDPSFHLSA-N 0 3 296.361 3.168 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000912368422 622643769 /nfs/dbraw/zinc/64/37/69/622643769.db2.gz PORRBAVIEWLMDW-BXUZGUMPSA-N 0 3 280.437 3.226 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)Cc1ccccc1C ZINC000912403682 622646726 /nfs/dbraw/zinc/64/67/26/622646726.db2.gz QDZPSGKPBRYZIB-MRXNPFEDSA-N 0 3 274.408 3.027 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000912449525 622658315 /nfs/dbraw/zinc/65/83/15/622658315.db2.gz RPJCSRVIQHZVPJ-ZDUSSCGKSA-N 0 3 299.374 3.327 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000151376990 622775799 /nfs/dbraw/zinc/77/57/99/622775799.db2.gz DZSRRASISJEQER-OAHLLOKOSA-N 0 3 290.366 3.421 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2ccccn2)c([O-])c1 ZINC000060803064 623072290 /nfs/dbraw/zinc/07/22/90/623072290.db2.gz XBUAUPGRHWKCAS-XMHGGMMESA-N 0 3 297.402 3.295 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cccnc2)cc1 ZINC000171562871 623173202 /nfs/dbraw/zinc/17/32/02/623173202.db2.gz OICYMDAHXOJOHX-ZIAGYGMSSA-N 0 3 281.359 3.223 20 30 CGEDHN C[C@H]1CCCC[C@@H]1OCCNCc1csc(C#N)c1 ZINC000921555670 625673131 /nfs/dbraw/zinc/67/31/31/625673131.db2.gz FTUCCGBQGOHWCB-WFASDCNBSA-N 0 3 278.421 3.305 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993051280 623806028 /nfs/dbraw/zinc/80/60/28/623806028.db2.gz RWWQGHPBSWLZLN-CJNGLKHVSA-N 0 3 290.407 3.055 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993480429 624052173 /nfs/dbraw/zinc/05/21/73/624052173.db2.gz DLWLDKSRBSMNLR-VUGNNNGISA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993698668 624058501 /nfs/dbraw/zinc/05/85/01/624058501.db2.gz AUDBZIJDLPRBPM-ZBFHGGJFSA-N 0 3 290.451 3.112 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H]2CCCN(CC(=C)C)[C@@H]2C)cc1 ZINC000993830331 624063765 /nfs/dbraw/zinc/06/37/65/624063765.db2.gz XRDLNPHHYMFQGW-CRAIPNDOSA-N 0 3 298.430 3.488 20 30 CGEDHN C#CCNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000180000404 624706323 /nfs/dbraw/zinc/70/63/23/624706323.db2.gz YZSMMXAIWTXKQI-UHFFFAOYSA-N 0 3 253.267 3.307 20 30 CGEDHN CSCCCNCc1cc(C#N)ccc1Br ZINC000921753330 625865388 /nfs/dbraw/zinc/86/53/88/625865388.db2.gz ADTKYLOAMLTOQZ-UHFFFAOYSA-N 0 3 299.237 3.163 20 30 CGEDHN C=C(C)CCNCc1cc(C#N)ccc1Br ZINC000922160288 625974645 /nfs/dbraw/zinc/97/46/45/625974645.db2.gz VCCVUNCYJNDFQX-UHFFFAOYSA-N 0 3 279.181 3.377 20 30 CGEDHN N#Cc1cc(CNC[C@@]2(c3ccccc3)CCCO2)cs1 ZINC000922964343 626111096 /nfs/dbraw/zinc/11/10/96/626111096.db2.gz RVTFSRWFNIRYOU-QGZVFWFLSA-N 0 3 298.411 3.415 20 30 CGEDHN C#C[C@H](NCc1c(C)nc2scc(C3CC3)n12)C(C)C ZINC000839087804 626312620 /nfs/dbraw/zinc/31/26/20/626312620.db2.gz ANPQRUBFNBFAMH-ZDUSSCGKSA-N 0 3 287.432 3.329 20 30 CGEDHN Cc1ccc([C@H](C)NCC(=O)Nc2cccc(C#N)c2)s1 ZINC000754668320 626580994 /nfs/dbraw/zinc/58/09/94/626580994.db2.gz OJKQLKCZTULUOE-LBPRGKRZSA-N 0 3 299.399 3.218 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756733599 626728589 /nfs/dbraw/zinc/72/85/89/626728589.db2.gz RBBMLVDMGATTPD-GMSGAONNSA-N 0 3 255.720 3.422 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000756900334 626740527 /nfs/dbraw/zinc/74/05/27/626740527.db2.gz ONEOXCDLUYNJPA-CYBMUJFWSA-N 0 3 289.379 3.249 20 30 CGEDHN C#C[C@@H](NCc1ccc(OCCC)c(OC)c1)C(C)C ZINC000809685125 626764044 /nfs/dbraw/zinc/76/40/44/626764044.db2.gz APKKGXFYCKYJRE-OAHLLOKOSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@@H](NCc1cc(Cl)c(OC)c(OCC)c1)C(C)C ZINC000809685909 626769081 /nfs/dbraw/zinc/76/90/81/626769081.db2.gz YTJNWSWSOCGBQN-CQSZACIVSA-N 0 3 295.810 3.495 20 30 CGEDHN C=CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000761191830 627023624 /nfs/dbraw/zinc/02/36/24/627023624.db2.gz CBHCHTNFUXVLHD-UHFFFAOYSA-N 0 3 269.772 3.451 20 30 CGEDHN C=CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000761191830 627023626 /nfs/dbraw/zinc/02/36/26/627023626.db2.gz CBHCHTNFUXVLHD-UHFFFAOYSA-N 0 3 269.772 3.451 20 30 CGEDHN N#Cc1ccc([C@@H](O)CN2CC[C@H]2c2ccccc2)cc1 ZINC000763414648 627157358 /nfs/dbraw/zinc/15/73/58/627157358.db2.gz XQLMZOWJJWDHQS-ROUUACIJSA-N 0 3 278.355 3.039 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)COC2 ZINC000765015100 627236524 /nfs/dbraw/zinc/23/65/24/627236524.db2.gz OTHXZGBJFMKWQP-CYBMUJFWSA-N 0 3 278.355 3.439 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000766666424 627351665 /nfs/dbraw/zinc/35/16/65/627351665.db2.gz UHPICKBWLVTAFL-LBPRGKRZSA-N 0 3 275.392 3.152 20 30 CGEDHN C#CCOc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1 ZINC000769447832 627553360 /nfs/dbraw/zinc/55/33/60/627553360.db2.gz YBQHPDRRSAGJPY-KGLIPLIRSA-N 0 3 275.417 3.024 20 30 CGEDHN C#C[C@H](C)N(C)CCSc1ccc(Cl)cc1 ZINC000769978385 627594336 /nfs/dbraw/zinc/59/43/36/627594336.db2.gz XRIQIFQFFLPHSC-NSHDSACASA-N 0 3 253.798 3.386 20 30 CGEDHN C#C[C@@H](C)N(C)CCOc1ccccc1C(F)(F)F ZINC000769977262 627594426 /nfs/dbraw/zinc/59/44/26/627594426.db2.gz CLTJYVKQRRIMGE-LLVKDONJSA-N 0 3 271.282 3.038 20 30 CGEDHN C=CCSCCN[C@@H](C)c1c(C)onc1CC ZINC000772956101 627834560 /nfs/dbraw/zinc/83/45/60/627834560.db2.gz WAYLWTRCMFXLQF-JTQLQIEISA-N 0 3 254.399 3.115 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000773061513 627848602 /nfs/dbraw/zinc/84/86/02/627848602.db2.gz ZDVUDABAHFTTEZ-OAHLLOKOSA-N 0 3 299.418 3.424 20 30 CGEDHN C=CC(C)(C)COC(=O)c1cccc(CN(C)C)c1 ZINC000835722298 634610526 /nfs/dbraw/zinc/61/05/26/634610526.db2.gz QOWQJEVBROQOER-UHFFFAOYSA-N 0 3 261.365 3.117 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@](C)(CC)c1ccccc1 ZINC000775386817 628088699 /nfs/dbraw/zinc/08/86/99/628088699.db2.gz HAZQESWDJWLQIX-GOSISDBHSA-N 0 3 288.435 3.326 20 30 CGEDHN N#CCC[C@H](NC[C@H](O)c1ccccc1F)c1ccccc1 ZINC000775553445 628105717 /nfs/dbraw/zinc/10/57/17/628105717.db2.gz ONXUHLAAVCOMKY-ROUUACIJSA-N 0 3 298.361 3.494 20 30 CGEDHN C[C@H](N[C@@H](CCO)c1cccs1)c1ccc(C#N)cc1 ZINC000776163021 628173174 /nfs/dbraw/zinc/17/31/74/628173174.db2.gz MFKBXHLUXFXBLH-WFASDCNBSA-N 0 3 286.400 3.394 20 30 CGEDHN CN(C)c1ccncc1C=[NH+][N-]c1cccc(Cl)c1F ZINC000776181672 628177664 /nfs/dbraw/zinc/17/76/64/628177664.db2.gz YRWBGAMQEHJFAG-UHFFFAOYSA-N 0 3 292.745 3.386 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1cccc(F)c1 ZINC000778996424 628382177 /nfs/dbraw/zinc/38/21/77/628382177.db2.gz OMFMAXXLDWYYOC-QGZVFWFLSA-N 0 3 289.350 3.183 20 30 CGEDHN CC(=NNc1ccc(C#N)c(Cl)c1)c1csc(N)n1 ZINC000783880148 628755107 /nfs/dbraw/zinc/75/51/07/628755107.db2.gz COWLLAXUERIZRC-UHFFFAOYSA-N 0 3 291.767 3.086 20 30 CGEDHN CC[C@@](C)(CC(=O)OC)NCc1ccc(C#N)cc1Cl ZINC000784338545 628807456 /nfs/dbraw/zinc/80/74/56/628807456.db2.gz BGIXQPGKEAPLRR-HNNXBMFYSA-N 0 3 294.782 3.033 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCCOCC1)c1ccc2ccccc2n1 ZINC000786278552 628921681 /nfs/dbraw/zinc/92/16/81/628921681.db2.gz JLFFJIKNMUUWRF-HUUCEWRRSA-N 0 3 294.354 3.228 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000787769381 629028698 /nfs/dbraw/zinc/02/86/98/629028698.db2.gz FFSMQQLWPXFJGC-UHFFFAOYSA-N 0 3 279.339 3.029 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(OC2CC2)c1)C(C)(C)C ZINC000862369929 629355056 /nfs/dbraw/zinc/35/50/56/629355056.db2.gz ZMUQZUUCRLJLSO-KRWDZBQOSA-N 0 3 287.403 3.374 20 30 CGEDHN C#CC[C@H]1CCN(Cc2conc2Cc2ccccc2)C1 ZINC000862448052 629381195 /nfs/dbraw/zinc/38/11/95/629381195.db2.gz WDCJFBBXICBWGK-INIZCTEOSA-N 0 3 280.371 3.111 20 30 CGEDHN Cc1cc(C=NNc2ccnc(C)c2)c(C)n1C1CC1 ZINC000863158833 629484791 /nfs/dbraw/zinc/48/47/91/629484791.db2.gz TWBLVVZTCBQETA-UHFFFAOYSA-N 0 3 268.364 3.011 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](O)CCc1ccccc1 ZINC000796630996 629807442 /nfs/dbraw/zinc/80/74/42/629807442.db2.gz BVMZWRKFBIGANL-HXUWFJFHSA-N 0 3 293.410 3.116 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCCN(C(=O)OC)C1)c1ccco1 ZINC000796749048 629825743 /nfs/dbraw/zinc/82/57/43/629825743.db2.gz ZBZWFVATPWYBGA-ZIAGYGMSSA-N 0 3 292.379 3.107 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1ccccn1 ZINC000796779015 629832002 /nfs/dbraw/zinc/83/20/02/629832002.db2.gz AVXIXXBDJOZVEQ-VWYCJHECSA-N 0 3 282.265 3.236 20 30 CGEDHN C#CCN(Cc1cc(C)nc(Cl)c1)C1CCCC1 ZINC000797591836 629966275 /nfs/dbraw/zinc/96/62/75/629966275.db2.gz HNBVLTGLOAMQLJ-UHFFFAOYSA-N 0 3 262.784 3.421 20 30 CGEDHN CN(Cc1ccc(F)c(C#N)c1)Cc1ccccc1O ZINC000120488156 630061073 /nfs/dbraw/zinc/06/10/73/630061073.db2.gz ATKRSDBZEAPUNC-UHFFFAOYSA-N 0 3 270.307 3.035 20 30 CGEDHN C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[O-] ZINC000120488156 630061081 /nfs/dbraw/zinc/06/10/81/630061081.db2.gz ATKRSDBZEAPUNC-UHFFFAOYSA-N 0 3 270.307 3.035 20 30 CGEDHN C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[O-] ZINC000120488156 630061084 /nfs/dbraw/zinc/06/10/84/630061084.db2.gz ATKRSDBZEAPUNC-UHFFFAOYSA-N 0 3 270.307 3.035 20 30 CGEDHN C=CCCN1CCN([C@H](CC)c2ccc(F)cc2)CC1 ZINC000799174932 630153426 /nfs/dbraw/zinc/15/34/26/630153426.db2.gz URCMJDURGHAZBK-QGZVFWFLSA-N 0 3 276.399 3.471 20 30 CGEDHN C=CCCCCNCc1cccnc1Br ZINC000865532177 630171077 /nfs/dbraw/zinc/17/10/77/630171077.db2.gz YYTLCCYVCPERHD-UHFFFAOYSA-N 0 3 269.186 3.290 20 30 CGEDHN O=C1C=C(NNc2cccc3ccccc32)C2CCCN12 ZINC000799479317 630187820 /nfs/dbraw/zinc/18/78/20/630187820.db2.gz NDYPLFRQSNIWOK-INIZCTEOSA-N 0 3 279.343 3.002 20 30 CGEDHN N#Cc1ccc(CN[C@H]2Cc3ccc(Cl)cc3C2)o1 ZINC000800288485 630262048 /nfs/dbraw/zinc/26/20/48/630262048.db2.gz QBAXOGXIFDLLLN-ZDUSSCGKSA-N 0 3 272.735 3.062 20 30 CGEDHN Fc1ccc(C#CCN[C@@H]2CCc3ccccc3OC2)cc1 ZINC000801575133 630345322 /nfs/dbraw/zinc/34/53/22/630345322.db2.gz GTCNQKRUUATSMN-GOSISDBHSA-N 0 3 295.357 3.161 20 30 CGEDHN Cc1cc(C)cc(C2=CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000801939532 630371250 /nfs/dbraw/zinc/37/12/50/630371250.db2.gz FQPRDVVGEPMBEZ-INIZCTEOSA-N 0 3 284.403 3.321 20 30 CGEDHN C#CCN(CC[C@H](O)c1ccccc1)Cc1ccccc1 ZINC000808758895 630675121 /nfs/dbraw/zinc/67/51/21/630675121.db2.gz IVJVNVZCCQUSIB-IBGZPJMESA-N 0 3 279.383 3.246 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(COC)cc2)cc1 ZINC000809603445 630759531 /nfs/dbraw/zinc/75/95/31/630759531.db2.gz FPXVPAZUOSKDQQ-UHFFFAOYSA-N 0 3 265.356 3.104 20 30 CGEDHN C#Cc1ccc(CN[C@@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000809624857 630765812 /nfs/dbraw/zinc/76/58/12/630765812.db2.gz RRJSQMHVKWTVHP-KRWDZBQOSA-N 0 3 281.403 3.259 20 30 CGEDHN C#C[C@@H](NCc1c(C)nn(Cc2ccccc2)c1C)C(C)C ZINC000809684406 630779549 /nfs/dbraw/zinc/77/95/49/630779549.db2.gz AVQHDRNDFMMMJP-LJQANCHMSA-N 0 3 295.430 3.296 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000810152588 630847952 /nfs/dbraw/zinc/84/79/52/630847952.db2.gz WCQRUXZKIMIXHA-ZIAGYGMSSA-N 0 3 283.400 3.441 20 30 CGEDHN C#CCOc1ccccc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000811513282 631080594 /nfs/dbraw/zinc/08/05/94/631080594.db2.gz FQXZRXFXKFYLPN-QGZVFWFLSA-N 0 3 269.388 3.319 20 30 CGEDHN CCN(CC#Cc1ccccc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847901 631325469 /nfs/dbraw/zinc/32/54/69/631325469.db2.gz HHFSRCXDPQUFJK-FXAWDEMLSA-N 0 3 293.410 3.482 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000876545382 634853627 /nfs/dbraw/zinc/85/36/27/634853627.db2.gz GRVYDDKZTCGCKL-CYBMUJFWSA-N 0 3 280.799 3.393 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000813331922 631410476 /nfs/dbraw/zinc/41/04/76/631410476.db2.gz NNOLZMKEHQQPIG-CQSZACIVSA-N 0 3 270.376 3.353 20 30 CGEDHN C=CCOCCN1CC=C(c2ccc(C)cc2)CC1 ZINC000815009756 631703910 /nfs/dbraw/zinc/70/39/10/631703910.db2.gz BZJCUPKWUWPOHD-UHFFFAOYSA-N 0 3 257.377 3.287 20 30 CGEDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2c1c(F)ccc2[O-] ZINC000818356233 632313832 /nfs/dbraw/zinc/31/38/32/632313832.db2.gz LXANNSSICPKBBH-XZUYRWCXSA-N 0 3 274.339 3.361 20 30 CGEDHN C#CCCCCC(=O)Nc1cnccc1NC(CC)CC ZINC000820139963 632577275 /nfs/dbraw/zinc/57/72/75/632577275.db2.gz VYGMIQOQLLXDSA-UHFFFAOYSA-N 0 3 287.407 3.236 20 30 CGEDHN N#CC1(CN[C@@H](C2CCC2)[C@@H]2CCCO2)CCCCC1 ZINC000866391011 633118327 /nfs/dbraw/zinc/11/83/27/633118327.db2.gz YLIJOWNGVNWCQW-HOTGVXAUSA-N 0 3 276.424 3.398 20 30 CGEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000866539413 633182254 /nfs/dbraw/zinc/18/22/54/633182254.db2.gz BWLUASHYERTICX-OCCSQVGLSA-N 0 3 273.336 3.075 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000876570569 634859630 /nfs/dbraw/zinc/85/96/30/634859630.db2.gz GXCHFORMZLYPCX-LSDHHAIUSA-N 0 3 292.810 3.032 20 30 CGEDHN CCOCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000826862033 633438081 /nfs/dbraw/zinc/43/80/81/633438081.db2.gz RNHWMCCXPSACLA-OAHLLOKOSA-N 0 3 288.391 3.185 20 30 CGEDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC000826862025 633438254 /nfs/dbraw/zinc/43/82/54/633438254.db2.gz RFZGWCBRHPBRCT-LBPRGKRZSA-N 0 3 278.783 3.480 20 30 CGEDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC000826862025 633438258 /nfs/dbraw/zinc/43/82/58/633438258.db2.gz RFZGWCBRHPBRCT-LBPRGKRZSA-N 0 3 278.783 3.480 20 30 CGEDHN C#CCN(CCCC(=O)CC)[C@H]1CCc2ccccc21 ZINC000827484517 633494292 /nfs/dbraw/zinc/49/42/92/633494292.db2.gz ZCOHADCCWRHBMZ-SFHVURJKSA-N 0 3 269.388 3.368 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000829810395 633792837 /nfs/dbraw/zinc/79/28/37/633792837.db2.gz PLHAMZTWOVCAIG-ZDUSSCGKSA-N 0 3 272.779 3.447 20 30 CGEDHN C=C[C@H](CO)N[C@@H]1CC(C)(C)Sc2ccccc21 ZINC000872087063 634013427 /nfs/dbraw/zinc/01/34/27/634013427.db2.gz AUQLPXQJXWPJSJ-DGCLKSJQSA-N 0 3 263.406 3.139 20 30 CGEDHN C[C@@H](NCCCCC#N)c1nc(Br)cs1 ZINC000834566093 634183816 /nfs/dbraw/zinc/18/38/16/634183816.db2.gz BULQCARCYWNUDQ-MRVPVSSYSA-N 0 3 288.214 3.250 20 30 CGEDHN CC(C)(CCC#N)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834803491 634244731 /nfs/dbraw/zinc/24/47/31/634244731.db2.gz URAUUHWCKQOINH-CYBMUJFWSA-N 0 3 258.365 3.299 20 30 CGEDHN C=CC(C)(C)CCCNCc1ncc(CN(C)C)s1 ZINC000873151140 634258825 /nfs/dbraw/zinc/25/88/25/634258825.db2.gz AIVGPWPUZQPPOI-UHFFFAOYSA-N 0 3 281.469 3.287 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834894183 634270639 /nfs/dbraw/zinc/27/06/39/634270639.db2.gz RFJHSVBIGYMTND-ZGFBFQLVSA-N 0 3 291.366 3.403 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2c(Cl)nc(Cl)n2C)CC1 ZINC000873198622 634283720 /nfs/dbraw/zinc/28/37/20/634283720.db2.gz SECHUIAOAYFLSX-MGCOHNPYSA-N 0 3 286.206 3.009 20 30 CGEDHN C#CCCCCCCN[C@H](C)c1nnc2n1CCCCC2 ZINC000876921357 634928865 /nfs/dbraw/zinc/92/88/65/634928865.db2.gz DDNFRYANUBVYIZ-OAHLLOKOSA-N 0 3 288.439 3.239 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000876958099 634937456 /nfs/dbraw/zinc/93/74/56/634937456.db2.gz RIOLRVGISMOCRS-OLZOCXBDSA-N 0 3 284.831 3.076 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CC1)c1cccc(F)c1 ZINC000877130861 634995841 /nfs/dbraw/zinc/99/58/41/634995841.db2.gz PKLIMBHIUBDJLV-AWEZNQCLSA-N 0 3 296.773 3.039 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(c1ccccc1)[C@H](C)C1CC1 ZINC000877139634 635000371 /nfs/dbraw/zinc/00/03/71/635000371.db2.gz UUDLUVVIZPDUNR-DOMZBBRYSA-N 0 3 292.810 3.288 20 30 CGEDHN C[C@@]1(NCc2cc(C#N)cnc2Cl)CC=CCC1 ZINC000877586234 635103770 /nfs/dbraw/zinc/10/37/70/635103770.db2.gz XDEUVEBFPWXNRT-CQSZACIVSA-N 0 3 261.756 3.195 20 30 CGEDHN C[C@@H](CCc1cccnc1)NCC1(C#N)CCCC1 ZINC000877609915 635110258 /nfs/dbraw/zinc/11/02/58/635110258.db2.gz OCOODOZMRCWOQM-AWEZNQCLSA-N 0 3 257.381 3.076 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cnc3c(F)cccc3c2)C1 ZINC000877617167 635115150 /nfs/dbraw/zinc/11/51/50/635115150.db2.gz MENKQUCNVUUXGQ-ZDUSSCGKSA-N 0 3 268.335 3.219 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877651392 635132957 /nfs/dbraw/zinc/13/29/57/635132957.db2.gz XPAJPLHEJJDYIR-LLVKDONJSA-N 0 3 274.751 3.326 20 30 CGEDHN CC(C)(CCC#N)CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC000877666318 635138799 /nfs/dbraw/zinc/13/87/99/635138799.db2.gz GHXYWZHHEYTYSQ-UHFFFAOYSA-N 0 3 297.446 3.134 20 30 CGEDHN Cc1occc1CN(C)CCc1cccc(C#N)c1 ZINC000877704438 635156464 /nfs/dbraw/zinc/15/64/64/635156464.db2.gz IGEIQUSOTKRSDU-UHFFFAOYSA-N 0 3 254.333 3.134 20 30 CGEDHN C[C@@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)c1ccccc1[O-] ZINC000877757838 635187036 /nfs/dbraw/zinc/18/70/36/635187036.db2.gz WKLOQSTVOBIXCS-CYBMUJFWSA-N 0 3 295.386 3.181 20 30 CGEDHN CC1(C)CCc2onc(CNC3CCC(C#N)CC3)c2C1 ZINC000877809850 635212107 /nfs/dbraw/zinc/21/21/07/635212107.db2.gz IFVBHBLXDCLIJU-UHFFFAOYSA-N 0 3 287.407 3.361 20 30 CGEDHN N#CCC1(CN2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000877928395 635275285 /nfs/dbraw/zinc/27/52/85/635275285.db2.gz UTZVYEWATIBXND-QGZVFWFLSA-N 0 3 284.403 3.126 20 30 CGEDHN CC1(C)C[C@H](CN(CCC#N)CC2CC2)C(C)(C)O1 ZINC000878159076 635386177 /nfs/dbraw/zinc/38/61/77/635386177.db2.gz DEZKRYCYYNSEAX-CQSZACIVSA-N 0 3 264.413 3.206 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000843423292 635666782 /nfs/dbraw/zinc/66/67/82/635666782.db2.gz BZKQDNWHGOQAAF-LBPRGKRZSA-N 0 3 260.406 3.256 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCC3(CCC3)O1)C2 ZINC000879065763 635694542 /nfs/dbraw/zinc/69/45/42/635694542.db2.gz XCTYEHQTODROGX-KRWDZBQOSA-N 0 3 296.414 3.212 20 30 CGEDHN CN(CC[C@@H]1CC1(Cl)Cl)[C@H]1CCC[C@H]1C#N ZINC000879308874 635751232 /nfs/dbraw/zinc/75/12/32/635751232.db2.gz JKIKAVRHAYAKFP-AXFHLTTASA-N 0 3 261.196 3.194 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000879314034 635753527 /nfs/dbraw/zinc/75/35/27/635753527.db2.gz PQZRQMGDBMXWMB-RDJZCZTQSA-N 0 3 286.419 3.150 20 30 CGEDHN Fc1ccc(C#CCNC2([C@H]3CCCCO3)CCC2)cc1 ZINC000879734234 635847049 /nfs/dbraw/zinc/84/70/49/635847049.db2.gz GQIASNZCWCLNHP-QGZVFWFLSA-N 0 3 287.378 3.259 20 30 CGEDHN C[C@H](C#N)OCCNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000844462867 635909460 /nfs/dbraw/zinc/90/94/60/635909460.db2.gz PWQBHHWFIUIMHT-LLVKDONJSA-N 0 3 298.308 3.213 20 30 CGEDHN C[C@H](c1ccccc1)N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000880251055 635957116 /nfs/dbraw/zinc/95/71/16/635957116.db2.gz POTUESWXFNEDEM-NUJGCVRESA-N 0 3 283.419 3.057 20 30 CGEDHN C=CCCC[C@@H](NCC(=O)Nc1ccon1)c1ccccc1 ZINC000880387960 635991589 /nfs/dbraw/zinc/99/15/89/635991589.db2.gz HILWUHWRLOIUAL-OAHLLOKOSA-N 0 3 299.374 3.300 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N2CCCCCCC2)CC1 ZINC000106275988 636171830 /nfs/dbraw/zinc/17/18/30/636171830.db2.gz SJBKJYQVLPVBMS-UHFFFAOYSA-N 0 3 293.455 3.003 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000847023040 636315256 /nfs/dbraw/zinc/31/52/56/636315256.db2.gz AKDSTHCNMXVBIK-CQSZACIVSA-N 0 3 266.344 3.187 20 30 CGEDHN Cc1ccc(N(C)C(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000848398970 636566134 /nfs/dbraw/zinc/56/61/34/636566134.db2.gz NFTBLRDXZQHCNR-AWEZNQCLSA-N 0 3 293.798 3.023 20 30 CGEDHN C=CCC[C@H](NCc1cc(C)no1)[C@H]1Cc2ccccc2O1 ZINC000883186590 636572694 /nfs/dbraw/zinc/57/26/94/636572694.db2.gz VFUYOCSMEJUTOT-FUHWJXTLSA-N 0 3 298.386 3.411 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000883226386 636598104 /nfs/dbraw/zinc/59/81/04/636598104.db2.gz XEMFQGTUYLMDQZ-INIZCTEOSA-N 0 3 296.418 3.349 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000848923400 636694060 /nfs/dbraw/zinc/69/40/60/636694060.db2.gz DEOUTOLRYRQQPZ-OAHLLOKOSA-N 0 3 297.377 3.165 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OCCC)c(OC)c2)C1 ZINC000848923511 636694274 /nfs/dbraw/zinc/69/42/74/636694274.db2.gz MAYZQXKUVNZVCI-HNNXBMFYSA-N 0 3 287.403 3.329 20 30 CGEDHN C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(C#N)c1 ZINC000849323329 636810429 /nfs/dbraw/zinc/81/04/29/636810429.db2.gz LMZUNPGJOWSNJU-DFBGVHRSSA-N 0 3 292.329 3.023 20 30 CGEDHN CC1(C)CC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782517 637151915 /nfs/dbraw/zinc/15/19/15/637151915.db2.gz NHSQNAJNZYMZNY-MNOVXSKESA-N 0 3 268.316 3.440 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000886353308 637509414 /nfs/dbraw/zinc/50/94/14/637509414.db2.gz GJRHQYNTKLVCRE-CQSZACIVSA-N 0 3 296.370 3.195 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H](CC)CC(F)F)n1 ZINC000851996313 637566848 /nfs/dbraw/zinc/56/68/48/637566848.db2.gz MROGQUXBLDAANS-CYBMUJFWSA-N 0 3 283.366 3.020 20 30 CGEDHN C#CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1CCN(C)CC1 ZINC000886578768 637590016 /nfs/dbraw/zinc/59/00/16/637590016.db2.gz KUJYILHPWPUSBH-HNNXBMFYSA-N 0 3 292.467 3.005 20 30 CGEDHN C#CCC1(NC(=O)c2cccc(CN(C)C)c2)CCCCC1 ZINC000886653142 637633212 /nfs/dbraw/zinc/63/32/12/637633212.db2.gz ACFWKRSULRHFAT-UHFFFAOYSA-N 0 3 298.430 3.204 20 30 CGEDHN C=CCC1(NCc2c(Cl)ncnc2N(C)C)CCCC1 ZINC000852587823 637683227 /nfs/dbraw/zinc/68/32/27/637683227.db2.gz HFXCARNHGFUBLU-UHFFFAOYSA-N 0 3 294.830 3.175 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1ccc(F)cc1F ZINC000852685326 637695547 /nfs/dbraw/zinc/69/55/47/637695547.db2.gz FJPUTMXEHZXKPJ-DVOMOZLQSA-N 0 3 279.330 3.181 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](C)CCCCC ZINC000852687210 637697181 /nfs/dbraw/zinc/69/71/81/637697181.db2.gz QSXBYIGZKHWKGQ-HRCADAONSA-N 0 3 278.440 3.254 20 30 CGEDHN C#CCCN(CCOC)C[C@@H](OC(C)C)c1ccccc1 ZINC000852748517 637705431 /nfs/dbraw/zinc/70/54/31/637705431.db2.gz CBWHPLFYFAKFLW-GOSISDBHSA-N 0 3 289.419 3.124 20 30 CGEDHN C[C@H](CCC#N)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887149557 637764260 /nfs/dbraw/zinc/76/42/60/637764260.db2.gz ASCOXSYHDCMPKN-CQSZACIVSA-N 0 3 270.376 3.496 20 30 CGEDHN C(=Nn1cnnc1-c1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000853283758 637800065 /nfs/dbraw/zinc/80/00/65/637800065.db2.gz BXAFKWYZUHYAJK-YUELXQCFSA-N 0 3 266.348 3.215 20 30 CGEDHN C#C[C@H](NCc1cc(Br)cs1)C(C)C ZINC000300907559 637856487 /nfs/dbraw/zinc/85/64/87/637856487.db2.gz LNFAICAJPLYUSX-NSHDSACASA-N 0 3 272.211 3.258 20 30 CGEDHN C[C@]1(C#N)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000853598811 637871376 /nfs/dbraw/zinc/87/13/76/637871376.db2.gz GNNIAHCWDCHDTL-QGZVFWFLSA-N 0 3 266.344 3.281 20 30 CGEDHN C[C@]1(C#N)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000853598811 637871380 /nfs/dbraw/zinc/87/13/80/637871380.db2.gz GNNIAHCWDCHDTL-QGZVFWFLSA-N 0 3 266.344 3.281 20 30 CGEDHN C[C@]1(C#N)CCN(Cc2c(O)ccc3ccccc32)C1 ZINC000853598811 637871382 /nfs/dbraw/zinc/87/13/82/637871382.db2.gz GNNIAHCWDCHDTL-QGZVFWFLSA-N 0 3 266.344 3.281 20 30 CGEDHN C#Cc1cccc(NC(=O)CN[C@@H](CC)c2ccccc2)c1 ZINC000112532680 638090065 /nfs/dbraw/zinc/09/00/65/638090065.db2.gz ZFRGPHKOWMTVLQ-SFHVURJKSA-N 0 3 292.382 3.347 20 30 CGEDHN CCCCCCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000106279315 638209429 /nfs/dbraw/zinc/20/94/29/638209429.db2.gz UFCAYGJCHPMJPB-OAHLLOKOSA-N 0 3 262.397 3.163 20 30 CGEDHN C#CCSCCN[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000925455109 638505164 /nfs/dbraw/zinc/50/51/64/638505164.db2.gz JUJHJPYZCAVXSM-GOSISDBHSA-N 0 3 296.439 3.435 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000925696344 638571162 /nfs/dbraw/zinc/57/11/62/638571162.db2.gz KJEKGLPCAIXMGB-KBPBESRZSA-N 0 3 286.375 3.177 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024209 638620296 /nfs/dbraw/zinc/62/02/96/638620296.db2.gz VSJXWEQEZPAZCY-PBHICJAKSA-N 0 3 299.418 3.494 20 30 CGEDHN C=C(C)CN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014957 638620379 /nfs/dbraw/zinc/62/03/79/638620379.db2.gz UJQGUSZTPOMGKN-INIZCTEOSA-N 0 3 272.392 3.378 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858049363 638621987 /nfs/dbraw/zinc/62/19/87/638621987.db2.gz ZMNYHFBXCYOKRH-MRXNPFEDSA-N 0 3 299.418 3.352 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NC1(c2cccc(C#N)c2)CC1 ZINC000925925938 638655687 /nfs/dbraw/zinc/65/56/87/638655687.db2.gz KIWJGLDKQFTCRV-CYBMUJFWSA-N 0 3 267.376 3.465 20 30 CGEDHN C#CC[C@H](CCOC)NCc1ccc(C)cc1Cl ZINC000858333747 638684199 /nfs/dbraw/zinc/68/41/99/638684199.db2.gz ABWXPFGVSVKMRV-CQSZACIVSA-N 0 3 265.784 3.166 20 30 CGEDHN C#CC[C@H](COC)NCc1cc(Cl)cc2cccnc21 ZINC000858334878 638685510 /nfs/dbraw/zinc/68/55/10/638685510.db2.gz HEYAHIDBFXZYFQ-OAHLLOKOSA-N 0 3 288.778 3.016 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)n2ncnc21 ZINC000926674862 638797301 /nfs/dbraw/zinc/79/73/01/638797301.db2.gz FOHPSFWMOWHNAO-RFQIPJPRSA-N 0 3 260.385 3.008 20 30 CGEDHN C[C@H](C(=O)Nc1ccc(CCC#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000928406953 638881213 /nfs/dbraw/zinc/88/12/13/638881213.db2.gz ZUIHYUSZOFDTNF-RBSFLKMASA-N 0 3 299.418 3.343 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000929322341 638918512 /nfs/dbraw/zinc/91/85/12/638918512.db2.gz IKSXOJDSBUSXSJ-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN N#Cc1cncc(CN2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000929676377 638940055 /nfs/dbraw/zinc/94/00/55/638940055.db2.gz ORKAEQKLWJOFQM-OAHLLOKOSA-N 0 3 295.361 3.157 20 30 CGEDHN COC/C(C)=C/CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000930765552 639065638 /nfs/dbraw/zinc/06/56/38/639065638.db2.gz ZSLVHQBLPDHEQC-CZAWJFPGSA-N 0 3 258.365 3.144 20 30 CGEDHN N#Cc1cncc(CN2CCC3(CCSCC3)CC2)c1 ZINC000931464649 639155831 /nfs/dbraw/zinc/15/58/31/639155831.db2.gz LPODFAIWNVACQT-UHFFFAOYSA-N 0 3 287.432 3.062 20 30 CGEDHN C#CCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000859906153 639251820 /nfs/dbraw/zinc/25/18/20/639251820.db2.gz DRNKZBZYJJELMJ-UHFFFAOYSA-N 0 3 253.267 3.087 20 30 CGEDHN C=C(C)CN1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932617314 639366677 /nfs/dbraw/zinc/36/66/77/639366677.db2.gz OTCHIVSCZFTESO-UHFFFAOYSA-N 0 3 262.422 3.387 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CO)c2ccccc2C(F)(F)F)C1 ZINC000933241535 639429882 /nfs/dbraw/zinc/42/98/82/639429882.db2.gz MYPLYWXDCQGHAW-GYSYKLTISA-N 0 3 298.308 3.021 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2cc(C)ccc2C)CCC1 ZINC000933302924 639436869 /nfs/dbraw/zinc/43/68/69/639436869.db2.gz KLQPZPIOLQRTBL-OAHLLOKOSA-N 0 3 284.403 3.166 20 30 CGEDHN N#Cc1ccc(CN2CCCSC[C@@H]2C2CC2)c(F)c1 ZINC000933917732 639507942 /nfs/dbraw/zinc/50/79/42/639507942.db2.gz HXMDBYLHWJANPM-MRXNPFEDSA-N 0 3 290.407 3.415 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](Cc3nccs3)C2)c1 ZINC000934329632 639585583 /nfs/dbraw/zinc/58/55/83/639585583.db2.gz IHEUQMGGWSQHPZ-OAHLLOKOSA-N 0 3 283.400 3.079 20 30 CGEDHN CC(C)(C#N)CCCCN1CCOC[C@@]1(C)C1CC1 ZINC000934480290 639618969 /nfs/dbraw/zinc/61/89/69/639618969.db2.gz XGZCLFBXHDCXNW-INIZCTEOSA-N 0 3 264.413 3.207 20 30 CGEDHN C#C[C@@H]1CCCCN1CCCc1nc(-c2ccccc2)no1 ZINC000934510216 639623355 /nfs/dbraw/zinc/62/33/55/639623355.db2.gz VHCKBNKTXSLOLN-MRXNPFEDSA-N 0 3 295.386 3.157 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=C)C)c2)CC1 ZINC000934878167 639696284 /nfs/dbraw/zinc/69/62/84/639696284.db2.gz KXYHXONXKDTLDJ-UHFFFAOYSA-N 0 3 299.418 3.492 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001006459206 640322769 /nfs/dbraw/zinc/32/27/69/640322769.db2.gz VEDNCBGYMKLEOM-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CC=C(C)C)C2)CC1 ZINC001008421254 640950665 /nfs/dbraw/zinc/95/06/65/640950665.db2.gz XVJWAZJAWJFCSC-QGZVFWFLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001015208555 640978484 /nfs/dbraw/zinc/97/84/84/640978484.db2.gz LDOSNNLQNUMRMV-MRXNPFEDSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001017830379 641017788 /nfs/dbraw/zinc/01/77/88/641017788.db2.gz HESDPTKKCYENLT-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)C1CCCCC1 ZINC001155801918 805612300 /nfs/dbraw/zinc/61/23/00/805612300.db2.gz BHQGAVISTDHJDL-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCCC)C(C)C ZINC001157159187 805786340 /nfs/dbraw/zinc/78/63/40/805786340.db2.gz WQOOKGIDKYMKTG-SJORKVTESA-N 0 3 294.483 3.299 20 30 CGEDHN C#CCCCC(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001157908692 805902636 /nfs/dbraw/zinc/90/26/36/805902636.db2.gz YBUYDTFCHSFCMC-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCOC[C@@H]1C1CC1 ZINC001252133776 806020299 /nfs/dbraw/zinc/02/02/99/806020299.db2.gz SIJZVGMULIFGOV-IAGOWNOFSA-N 0 3 283.456 3.209 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCOC[C@H]1C1CC1 ZINC001252133779 806021310 /nfs/dbraw/zinc/02/13/10/806021310.db2.gz SIJZVGMULIFGOV-IRXDYDNUSA-N 0 3 283.456 3.209 20 30 CGEDHN C=CCOC[C@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001252464796 806049058 /nfs/dbraw/zinc/04/90/58/806049058.db2.gz AFNIJXGTSJTOLB-HZPDHXFCSA-N 0 3 295.810 3.040 20 30 CGEDHN N#Cc1cc(Nc2ccc(Cl)cc2[O-])cc(C2C[NH2+]C2)c1 ZINC001159585578 806125251 /nfs/dbraw/zinc/12/52/51/806125251.db2.gz YLXPQNAWQWNTFL-UHFFFAOYSA-N 0 3 299.761 3.348 20 30 CGEDHN C=C[C@@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253582592 806263124 /nfs/dbraw/zinc/26/31/24/806263124.db2.gz QOJPPGXQETZVTF-KGLIPLIRSA-N 0 3 251.757 3.024 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001160550761 806283958 /nfs/dbraw/zinc/28/39/58/806283958.db2.gz CWWIWQILMHTJAE-HNNXBMFYSA-N 0 3 292.467 3.383 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cc(Cl)nc(C2CC2)n1 ZINC001160952827 806325909 /nfs/dbraw/zinc/32/59/09/806325909.db2.gz CZURBVFJAHWCRN-LBPRGKRZSA-N 0 3 292.814 3.070 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CCCC(C)C)CC1 ZINC001161301827 806364211 /nfs/dbraw/zinc/36/42/11/806364211.db2.gz ZVMCZURWGXWIHM-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC[C@H](C)CC)CC1 ZINC001161524943 806386842 /nfs/dbraw/zinc/38/68/42/806386842.db2.gz WFATUCAIYZFWHA-OAHLLOKOSA-N 0 3 278.440 3.137 20 30 CGEDHN N=C(NC1CCC2(CC2)CC1)c1ccc(Cl)cn1 ZINC001254434279 806396664 /nfs/dbraw/zinc/39/66/64/806396664.db2.gz LEALBINYBZCRCK-UHFFFAOYSA-N 0 3 263.772 3.163 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)c(F)c1 ZINC001254641761 806468375 /nfs/dbraw/zinc/46/83/75/806468375.db2.gz ASIWJCMGOBSHKK-FOGDFJRCSA-N 0 3 250.292 3.308 20 30 CGEDHN COc1ccccc1[C@H](C)N(C)[C@H]1CC[C@@H](C#N)C1 ZINC001254668224 806479239 /nfs/dbraw/zinc/47/92/39/806479239.db2.gz FLRXYRSYCBCLOA-MJBXVCDLSA-N 0 3 258.365 3.380 20 30 CGEDHN C#CCN(Cc1ccc2c(c1)COC(C)(C)O2)CC1CC1 ZINC001255026435 806528013 /nfs/dbraw/zinc/52/80/13/806528013.db2.gz VECKMSIPWRJUNO-UHFFFAOYSA-N 0 3 285.387 3.177 20 30 CGEDHN COC[C@H](C)N(CCC#N)C1CCCCCCC1 ZINC001255575600 806676696 /nfs/dbraw/zinc/67/66/96/806676696.db2.gz BEXZTBYCPJYCCI-AWEZNQCLSA-N 0 3 252.402 3.350 20 30 CGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(O)c1 ZINC000037319141 798865872 /nfs/dbraw/zinc/86/58/72/798865872.db2.gz PHDMAVNCPWSIPC-CYBMUJFWSA-N 0 3 282.343 3.145 20 30 CGEDHN CCCCCCC[C@H](C)NCc1nnc(CC)[nH]1 ZINC000392425099 799482686 /nfs/dbraw/zinc/48/26/86/799482686.db2.gz ZJDWCVKHHGMUQF-LBPRGKRZSA-N 0 3 252.406 3.206 20 30 CGEDHN C=CCCC[C@H](C)NCc1c(Cl)c(C)nn1C ZINC000398143234 799526820 /nfs/dbraw/zinc/52/68/20/799526820.db2.gz ASCOHPFJPRTUCB-JTQLQIEISA-N 0 3 255.793 3.216 20 30 CGEDHN N#Cc1cccc(OCCCN2CCC(F)(F)CC2)c1 ZINC000404852615 799580563 /nfs/dbraw/zinc/58/05/63/799580563.db2.gz TUSBMJYQKFRLJG-UHFFFAOYSA-N 0 3 280.318 3.058 20 30 CGEDHN C=CCOc1ccccc1CNCC1SCCS1 ZINC000692826917 799800955 /nfs/dbraw/zinc/80/09/55/799800955.db2.gz TTYUYQMPXQPIRG-UHFFFAOYSA-N 0 3 281.446 3.147 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001167262359 807172672 /nfs/dbraw/zinc/17/26/72/807172672.db2.gz JCUAJIBLXZXMEV-GFCCVEGCSA-N 0 3 288.863 3.297 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccc(F)cc2C)CC1 ZINC000717433405 800202697 /nfs/dbraw/zinc/20/26/97/800202697.db2.gz ASNJFOFAKJSVLF-UHFFFAOYSA-N 0 3 263.356 3.037 20 30 CGEDHN CC(C)[C@@H]1CCCN(Cc2cncc(C#N)c2)CC1 ZINC000721562258 800294347 /nfs/dbraw/zinc/29/43/47/800294347.db2.gz UUJXUEZFJGYNEN-MRXNPFEDSA-N 0 3 257.381 3.211 20 30 CGEDHN C=C(Cl)CN[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724071929 800354459 /nfs/dbraw/zinc/35/44/59/800354459.db2.gz YDMZHEZPBOGKHI-RYUDHWBXSA-N 0 3 288.819 3.022 20 30 CGEDHN C=CC(C)(C)CCCNCc1nc(Br)c[nH]1 ZINC000922321894 800618364 /nfs/dbraw/zinc/61/83/64/800618364.db2.gz FMOWYUGELMNRFV-UHFFFAOYSA-N 0 3 286.217 3.254 20 30 CGEDHN CCC[C@H](C)CC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001257478878 807175871 /nfs/dbraw/zinc/17/58/71/807175871.db2.gz UOMSRMLOAMZIQO-IHRRRGAJSA-N 0 3 272.433 3.101 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001023142272 800704743 /nfs/dbraw/zinc/70/47/43/800704743.db2.gz KUQASTYPJGHBCG-MELADBBJSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1sccc1F ZINC001024426683 800727702 /nfs/dbraw/zinc/72/77/02/800727702.db2.gz CRJDBAQPOPZJQO-GFCCVEGCSA-N 0 3 296.411 3.048 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607517 800732210 /nfs/dbraw/zinc/73/22/10/800732210.db2.gz CVAQBAJVGJNRQI-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1csc(C)c1C ZINC001027906178 800825173 /nfs/dbraw/zinc/82/51/73/800825173.db2.gz KPIBGBMTHMAAKP-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001028180566 800835120 /nfs/dbraw/zinc/83/51/20/800835120.db2.gz CASLMQAFYIVVJH-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCCC1 ZINC001032725413 800933724 /nfs/dbraw/zinc/93/37/24/800933724.db2.gz SYFNKPJKQFAQCI-PVAVHDDUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001033471276 800965784 /nfs/dbraw/zinc/96/57/84/800965784.db2.gz IUYLFHKARNRMHR-GFCCVEGCSA-N 0 3 298.839 3.124 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033948707 800991302 /nfs/dbraw/zinc/99/13/02/800991302.db2.gz BSIWSNNZQLVPJK-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033989705 800992715 /nfs/dbraw/zinc/99/27/15/800992715.db2.gz OOPJXGBWXRBICW-HNNXBMFYSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034101435 801006313 /nfs/dbraw/zinc/00/63/13/801006313.db2.gz LJESGDDCLIGDDR-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034271960 801014322 /nfs/dbraw/zinc/01/43/22/801014322.db2.gz DDZWXNCMBHQIPB-AWEZNQCLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034384803 801023612 /nfs/dbraw/zinc/02/36/12/801023612.db2.gz IJYJBKYZSHIHDW-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034472184 801027796 /nfs/dbraw/zinc/02/77/96/801027796.db2.gz ROAQASZQHKAESI-HNNXBMFYSA-N 0 3 296.430 3.206 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001034560649 801033122 /nfs/dbraw/zinc/03/31/22/801033122.db2.gz XDDYMGSXILVUKX-AWEZNQCLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001038330754 801125073 /nfs/dbraw/zinc/12/50/73/801125073.db2.gz URQKNYXQWHVNDW-OAHLLOKOSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402533 801125253 /nfs/dbraw/zinc/12/52/53/801125253.db2.gz NOWSUVZCEVMBSK-DLBZAZTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001038693888 801132631 /nfs/dbraw/zinc/13/26/31/801132631.db2.gz OQMTYLSRKAAFHX-HNNXBMFYSA-N 0 3 298.430 3.118 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001038942768 801138212 /nfs/dbraw/zinc/13/82/12/801138212.db2.gz OZCHHTPQBAKFHC-ULQDDVLXSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@H]21 ZINC001042334873 801205176 /nfs/dbraw/zinc/20/51/76/801205176.db2.gz HWKHOQGSZMKORK-SJLPKXTDSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2sc(C)cc2C)CC1 ZINC001045450102 801276375 /nfs/dbraw/zinc/27/63/75/801276375.db2.gz CFUALXAKJQTXCH-UHFFFAOYSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001046861724 801330821 /nfs/dbraw/zinc/33/08/21/801330821.db2.gz WXNJEBRCNJRMOM-CRAIPNDOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049300588 801363725 /nfs/dbraw/zinc/36/37/25/801363725.db2.gz COMVUOOXHSZXND-KGLIPLIRSA-N 0 3 290.432 3.003 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@H]1C ZINC001071414684 801534063 /nfs/dbraw/zinc/53/40/63/801534063.db2.gz VQKRIPMDHBLPAD-ZIAGYGMSSA-N 0 3 292.467 3.214 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071420980 801536684 /nfs/dbraw/zinc/53/66/84/801536684.db2.gz WIDHWXVEUUMBCH-CJNGLKHVSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CC3(CCC3)C2)CC[C@H]1C ZINC001071740948 801547193 /nfs/dbraw/zinc/54/71/93/801547193.db2.gz CBUKVJDRSJJGTH-GDBMZVCRSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2csc(C)c2)CC[C@@H]1C ZINC001071898174 801557265 /nfs/dbraw/zinc/55/72/65/801557265.db2.gz WWWJGXNDWXMHQK-WFASDCNBSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC=CCC2)CC[C@H]1C ZINC001072079686 801563740 /nfs/dbraw/zinc/56/37/40/801563740.db2.gz QWZXORPHULDTLV-WBVHZDCISA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H](C)CC)CC1 ZINC001164285060 806927686 /nfs/dbraw/zinc/92/76/86/806927686.db2.gz ODAZVRYDOASLQE-LBPRGKRZSA-N 0 3 286.847 3.051 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085800884 801705283 /nfs/dbraw/zinc/70/52/83/801705283.db2.gz DVONCWNPEXWVJN-GPANFISMSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001085937050 801712296 /nfs/dbraw/zinc/71/22/96/801712296.db2.gz UJJLBKVGMIIUKE-BRWVUGGUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001085976205 801715204 /nfs/dbraw/zinc/71/52/04/801715204.db2.gz QJNZAUIZFFKZOG-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001086171539 801722798 /nfs/dbraw/zinc/72/27/98/801722798.db2.gz SOQDUYAOBGAFDZ-MJBXVCDLSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCC2CC2)C1 ZINC001088284248 801780091 /nfs/dbraw/zinc/78/00/91/801780091.db2.gz YKGLWDLLPOCJDT-OAHLLOKOSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC2(C)CC2)C1 ZINC001088349057 801785205 /nfs/dbraw/zinc/78/52/05/801785205.db2.gz KHZYWNZPKYUMEC-AWEZNQCLSA-N 0 3 298.858 3.290 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCC(=C)Cl)C1 ZINC001088359292 801786003 /nfs/dbraw/zinc/78/60/03/801786003.db2.gz WEAJCXHCLZXYQB-CQSZACIVSA-N 0 3 298.858 3.312 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccccc1)C2 ZINC001096365463 801887226 /nfs/dbraw/zinc/88/72/26/801887226.db2.gz LKFNRIQKYVLJCD-RANZSIQMSA-N 0 3 298.430 3.088 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)cc1 ZINC001097899072 801905936 /nfs/dbraw/zinc/90/59/36/801905936.db2.gz ZFXOIUYRKAQTNC-KURKYZTESA-N 0 3 296.414 3.241 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001099176620 801932017 /nfs/dbraw/zinc/93/20/17/801932017.db2.gz QYKLUXDYMGXIRK-LSDHHAIUSA-N 0 3 298.446 3.163 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102003583 801997786 /nfs/dbraw/zinc/99/77/86/801997786.db2.gz GFIHWWPCMXUFSL-YOIVVXPQSA-N 0 3 298.858 3.025 20 30 CGEDHN C=CC(C)(C)C(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103315226 802030857 /nfs/dbraw/zinc/03/08/57/802030857.db2.gz TUSWGMZTDXFINX-TZMCWYRMSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCCC1)C2 ZINC001108886976 802102359 /nfs/dbraw/zinc/10/23/59/802102359.db2.gz AAWREPSJAOUJBZ-IKGGRYGDSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](CC)C(C)C)C2 ZINC001110004745 802130110 /nfs/dbraw/zinc/13/01/10/802130110.db2.gz XTNUIWZRLJXODK-NCOADZHNSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCC2CCC2)CC1 ZINC001112755927 802187980 /nfs/dbraw/zinc/18/79/80/802187980.db2.gz UCUOYKRIFYSGBX-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2oc(-c3ccccc3)nc2C)C1 ZINC001119307869 802646972 /nfs/dbraw/zinc/64/69/72/802646972.db2.gz DUJVFOMVTZVKDL-MRXNPFEDSA-N 0 3 298.386 3.427 20 30 CGEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)[C@H]1c1ccccc1 ZINC001119323433 802649207 /nfs/dbraw/zinc/64/92/07/802649207.db2.gz ZUMDUZOALZIBSX-DJIMGWMZSA-N 0 3 299.418 3.007 20 30 CGEDHN C#CCN(Cc1ccc(Oc2cnccn2)cc1)C(C)C ZINC001119984412 802719750 /nfs/dbraw/zinc/71/97/50/802719750.db2.gz UUJCZTWBZSFLRF-UHFFFAOYSA-N 0 3 281.359 3.113 20 30 CGEDHN C[C@@H]1CCc2c(scc2C(=O)C(C#N)c2nccn2C)C1 ZINC001122609659 802876375 /nfs/dbraw/zinc/87/63/75/802876375.db2.gz LUPVIYMZXPTCRR-PWSUYJOCSA-N 0 3 299.399 3.096 20 30 CGEDHN CN1CCc2ccc(C3=CC[C@@H](C#N)CC3)cc2C1 ZINC001243794428 803012537 /nfs/dbraw/zinc/01/25/37/803012537.db2.gz OAHRRAQMANQBKH-CYBMUJFWSA-N 0 3 252.361 3.382 20 30 CGEDHN N#C[C@@H]1CC=C(c2ccc(CN3CCCC3)cn2)CC1 ZINC001243800916 803017535 /nfs/dbraw/zinc/01/75/35/803017535.db2.gz VGNQEKHXXJQUJK-CQSZACIVSA-N 0 3 267.376 3.384 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@@H]1C ZINC001131912082 803358000 /nfs/dbraw/zinc/35/80/00/803358000.db2.gz RQSRCHZDLKOZFF-LWLVDVGCSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCC(C)(C)C)CC[C@@H]1C ZINC001132370827 803397710 /nfs/dbraw/zinc/39/77/10/803397710.db2.gz BXABPZMLYVWTSM-LSDHHAIUSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133391891 803472398 /nfs/dbraw/zinc/47/23/98/803472398.db2.gz XPQDKINRHMSRCL-KRWDZBQOSA-N 0 3 298.446 3.308 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136939728 803661212 /nfs/dbraw/zinc/66/12/12/803661212.db2.gz RSYMSPWBHAWZPZ-CYBMUJFWSA-N 0 3 294.345 3.456 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(F)c(OC)c(OC)c1 ZINC001137507986 803738494 /nfs/dbraw/zinc/73/84/94/803738494.db2.gz ADIMBNUJYZQBMD-UHFFFAOYSA-N 0 3 267.344 3.241 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C)CC2)c(C#N)c1 ZINC001137699801 803760438 /nfs/dbraw/zinc/76/04/38/803760438.db2.gz VCMAVOFAOSQNLM-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](C#N)CC2)c1[O-] ZINC001138627861 803984669 /nfs/dbraw/zinc/98/46/69/803984669.db2.gz HEGBOAQXXAMAMN-AWEZNQCLSA-N 0 3 270.376 3.246 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1[O-] ZINC001138627861 803984676 /nfs/dbraw/zinc/98/46/76/803984676.db2.gz HEGBOAQXXAMAMN-AWEZNQCLSA-N 0 3 270.376 3.246 20 30 CGEDHN CC(C)([NH3+])c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001245909591 804037420 /nfs/dbraw/zinc/03/74/20/804037420.db2.gz SNQUJEPCICHYSR-VXLYETTFSA-N 0 3 272.323 3.495 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@]2(CCO2)C1 ZINC001139030500 804115021 /nfs/dbraw/zinc/11/50/21/804115021.db2.gz ORMPPUJPUQJHRE-QGZVFWFLSA-N 0 3 273.376 3.006 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[C@@H]1CCC ZINC001139874367 804305405 /nfs/dbraw/zinc/30/54/05/804305405.db2.gz WHNUDTOFRLPZLN-JKSUJKDBSA-N 0 3 280.456 3.169 20 30 CGEDHN N#Cc1ccc(Cl)c(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC001140599820 804471627 /nfs/dbraw/zinc/47/16/27/804471627.db2.gz SAQNQYFANTWXJF-CHWSQXEVSA-N 0 3 260.768 3.444 20 30 CGEDHN CN(CCC1CC1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756948 804506467 /nfs/dbraw/zinc/50/64/67/804506467.db2.gz VFXLEOOGVBKVGF-UHFFFAOYSA-N 0 3 250.292 3.068 20 30 CGEDHN N#Cc1ccc2c(CN3CCC(F)(F)CC3)c[nH]c2c1 ZINC001142911952 804783727 /nfs/dbraw/zinc/78/37/27/804783727.db2.gz PNXFFJZVRWXGLK-UHFFFAOYSA-N 0 3 275.302 3.271 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)cc(F)c1F ZINC001143599257 804874183 /nfs/dbraw/zinc/87/41/83/804874183.db2.gz BKDHWCNHZAPVRT-ZDUSSCGKSA-N 0 3 295.354 3.047 20 30 CGEDHN C=CCC(C)(C)C(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001144069068 804932839 /nfs/dbraw/zinc/93/28/39/804932839.db2.gz DXFFBGXXQRKYLD-UHFFFAOYSA-N 0 3 292.467 3.454 20 30 CGEDHN CCCCN1CCN(Cc2ccc(C#N)cc2CC)CC1 ZINC001248751141 804984013 /nfs/dbraw/zinc/98/40/13/804984013.db2.gz KRQGUISQHMSQQO-UHFFFAOYSA-N 0 3 285.435 3.038 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817975 805007665 /nfs/dbraw/zinc/00/76/65/805007665.db2.gz SBXNSPULMJTWEZ-UHFFFAOYSA-N 0 3 271.339 3.433 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cn(C)c3ccnc(Cl)c23)C1 ZINC001248837454 805016367 /nfs/dbraw/zinc/01/63/67/805016367.db2.gz DFHABVMSEZKEER-GFCCVEGCSA-N 0 3 287.794 3.072 20 30 CGEDHN CC(C)(C)C1CCN(Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249082268 805084994 /nfs/dbraw/zinc/08/49/94/805084994.db2.gz NDEHGFBIHOKTFH-UHFFFAOYSA-N 0 3 296.418 3.464 20 30 CGEDHN Cc1cc(C#N)cc(NC2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001249561756 805177552 /nfs/dbraw/zinc/17/75/52/805177552.db2.gz SGQCIMCWNHGBBJ-GOSISDBHSA-N 0 3 297.402 3.047 20 30 CGEDHN CCCCCCCCC(=O)NCCNC[C@H](F)CC ZINC001148727547 805206546 /nfs/dbraw/zinc/20/65/46/805206546.db2.gz BPFMHZRDHVKNET-CQSZACIVSA-N 0 3 274.424 3.191 20 30 CGEDHN COC(C)(C)[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC001249685221 805211845 /nfs/dbraw/zinc/21/18/45/805211845.db2.gz GGSRYUUFEVDVKB-CQSZACIVSA-N 0 3 276.355 3.087 20 30 CGEDHN C=C[C@@H](N[C@H]1CC[C@H](C(=O)OCC)C1)c1ccccc1 ZINC001257043046 807035354 /nfs/dbraw/zinc/03/53/54/807035354.db2.gz GWQLNKBPBFGKMV-HRCADAONSA-N 0 3 273.376 3.235 20 30 CGEDHN C=C[C@@H](N[C@H]1CC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC001257043047 807035570 /nfs/dbraw/zinc/03/55/70/807035570.db2.gz GWQLNKBPBFGKMV-OWCLPIDISA-N 0 3 273.376 3.235 20 30 CGEDHN CCC(CC)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001257302951 807096021 /nfs/dbraw/zinc/09/60/21/807096021.db2.gz HDJGKZITDSZAAO-UHFFFAOYSA-N 0 3 275.371 3.008 20 30 CGEDHN C=C1C[C@@H]2CC(NC3(c4cnccn4)CC3)C[C@H](C1)C2 ZINC001257890714 807241115 /nfs/dbraw/zinc/24/11/15/807241115.db2.gz XDWYDSGHKQRQGA-YIONKMFJSA-N 0 3 269.392 3.190 20 30 CGEDHN N#CC1(c2ccccc2F)CCN([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167959006 807286976 /nfs/dbraw/zinc/28/69/76/807286976.db2.gz MNLSVERDHBDKBJ-QDMKHBRRSA-N 0 3 284.378 3.481 20 30 CGEDHN CCCCCCCCC[C@@H](C)N[C@@H]1C=CS(=O)(=O)C1 ZINC001258229033 807377309 /nfs/dbraw/zinc/37/73/09/807377309.db2.gz LTVCYBMOMTZGRW-HUUCEWRRSA-N 0 3 287.469 3.416 20 30 CGEDHN CCCCCCCCC[C@H](C)n1nncc1CN ZINC001258231627 807378119 /nfs/dbraw/zinc/37/81/19/807378119.db2.gz RXTRPLFWBKOFID-ZDUSSCGKSA-N 0 3 252.406 3.439 20 30 CGEDHN CCCCC[C@H](CC)N1CCC(C#N)(C(=O)OC)CC1 ZINC001258448735 807457212 /nfs/dbraw/zinc/45/72/12/807457212.db2.gz XUONHNXUIVTYIN-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN C[C@H](CC1CC1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001258474066 807473004 /nfs/dbraw/zinc/47/30/04/807473004.db2.gz QMRQKGUNFDLMDE-CYBMUJFWSA-N 0 3 287.382 3.008 20 30 CGEDHN N#CC1(CN[C@H]2Cc3cccc(Cl)c3C2)CCCC1 ZINC001168680987 807475121 /nfs/dbraw/zinc/47/51/21/807475121.db2.gz YRDRRDJKTLDNAY-ZDUSSCGKSA-N 0 3 274.795 3.481 20 30 CGEDHN C=CCC[C@H](C)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC001258734602 807580868 /nfs/dbraw/zinc/58/08/68/807580868.db2.gz GIGONMFVIYGRPN-STQMWFEESA-N 0 3 253.386 3.147 20 30 CGEDHN C=CCC[C@@H](C)N1CCOC[C@H]1Cc1ccccc1 ZINC001258734011 807580953 /nfs/dbraw/zinc/58/09/53/807580953.db2.gz QBHWIKXMCNJDMN-NVXWUHKLSA-N 0 3 259.393 3.285 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cnc(OC)c2ccccc12 ZINC001169243828 807612913 /nfs/dbraw/zinc/61/29/13/807612913.db2.gz UWYXRIIDXYSDHJ-UHFFFAOYSA-N 0 3 268.360 3.087 20 30 CGEDHN C#C[C@H](CC)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001262571066 807871270 /nfs/dbraw/zinc/87/12/70/807871270.db2.gz LQQGTGVNESJZDO-ZWNOBZJWSA-N 0 3 272.175 3.028 20 30 CGEDHN CC1(C#N)CCN([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170708061 807880034 /nfs/dbraw/zinc/88/00/34/807880034.db2.gz YWMCEUSZYDJIMF-AWEZNQCLSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cc2ccccc2o1 ZINC001263089202 807933473 /nfs/dbraw/zinc/93/34/73/807933473.db2.gz CFRINPZUGVNWPH-OAHLLOKOSA-N 0 3 286.375 3.075 20 30 CGEDHN CC[C@H](F)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC001263314031 807947161 /nfs/dbraw/zinc/94/71/61/807947161.db2.gz COMRTNXIPBUTQU-IUCAKERBSA-N 0 3 295.264 3.356 20 30 CGEDHN CC[C@H](C)[C@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001263665130 807991756 /nfs/dbraw/zinc/99/17/56/807991756.db2.gz VDTOCAANYRIWAQ-ATZCPNFKSA-N 0 3 266.291 3.218 20 30 CGEDHN CN(C)Cc1ccccc1NC1=CC[C@@H](C#N)CC1 ZINC001212864543 815165422 /nfs/dbraw/zinc/16/54/22/815165422.db2.gz ZOWLXIBAWOEXGC-CYBMUJFWSA-N 0 3 255.365 3.368 20 30 CGEDHN C[C@@H](N[C@@H](C)Cc1cccc(C#N)c1)c1cscn1 ZINC001171180551 808001812 /nfs/dbraw/zinc/00/18/12/808001812.db2.gz BBTSHXIOYZIJKG-NWDGAFQWSA-N 0 3 271.389 3.297 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001263805743 808007216 /nfs/dbraw/zinc/00/72/16/808007216.db2.gz VGIGNJJSICLJPZ-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001265080247 808108295 /nfs/dbraw/zinc/10/82/95/808108295.db2.gz PAWJDZYWFVQRLW-QQAGXBGCSA-N 0 3 298.858 3.454 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001265940133 808195536 /nfs/dbraw/zinc/19/55/36/808195536.db2.gz LKWBAINXIDRYHK-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)Nc1cccc(F)c1CN ZINC001172290495 808216325 /nfs/dbraw/zinc/21/63/25/808216325.db2.gz QBHSIYASPNYOOO-LBPRGKRZSA-N 0 3 283.350 3.199 20 30 CGEDHN C=CCCCN1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001266200483 808227495 /nfs/dbraw/zinc/22/74/95/808227495.db2.gz MXCOVDPATIHQLN-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN Cc1nc2c(s1)CN([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172319365 808229755 /nfs/dbraw/zinc/22/97/55/808229755.db2.gz NJUUULSEURWKMX-LBPRGKRZSA-N 0 3 297.427 3.313 20 30 CGEDHN CCCCCCC[C@@H](CC)n1cc(CN)cnc1=N ZINC001172349765 808246713 /nfs/dbraw/zinc/24/67/13/808246713.db2.gz FYRMBQWSCMFOPL-CQSZACIVSA-N 0 3 264.417 3.133 20 30 CGEDHN CCCCCCC[C@H](CC)N1CCN2CCOC[C@@H]2C1 ZINC001172357908 808252774 /nfs/dbraw/zinc/25/27/74/808252774.db2.gz MUEBPACIBUCBMS-IRXDYDNUSA-N 0 3 282.472 3.142 20 30 CGEDHN CCCCCCC[C@@H](CC)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001172360138 808255466 /nfs/dbraw/zinc/25/54/66/808255466.db2.gz KTUVTFKYHJGBEY-OWCLPIDISA-N 0 3 281.440 3.273 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1sccc1C(C)C ZINC001266437488 808264850 /nfs/dbraw/zinc/26/48/50/808264850.db2.gz APYSHXQUXZEIND-UHFFFAOYSA-N 0 3 280.437 3.109 20 30 CGEDHN CCCCCCC[C@H](CCC)N1CCO[C@H](CO)C1 ZINC001172507863 808364467 /nfs/dbraw/zinc/36/44/67/808364467.db2.gz BZZJMHHPEHSJQS-HOTGVXAUSA-N 0 3 271.445 3.209 20 30 CGEDHN C=CCN(C)CCNC(=O)c1cccc(C2CCCC2)c1 ZINC001267226058 808386313 /nfs/dbraw/zinc/38/63/13/808386313.db2.gz LUBZOAXHGBFGJA-UHFFFAOYSA-N 0 3 286.419 3.192 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)C(C)(C)C1CCCCC1 ZINC001267220864 808386620 /nfs/dbraw/zinc/38/66/20/808386620.db2.gz JZEVIEHOSMHNSO-UHFFFAOYSA-N 0 3 280.456 3.217 20 30 CGEDHN C=CCN(CC)CCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001267256470 808398006 /nfs/dbraw/zinc/39/80/06/808398006.db2.gz YBYSMBALNOJLIF-CYBMUJFWSA-N 0 3 294.826 3.068 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(CC)(CC)CC ZINC001267279782 808402615 /nfs/dbraw/zinc/40/26/15/808402615.db2.gz LCNZCPFMRFOFLG-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1ccccc1CC)C1CC1 ZINC001267331192 808415277 /nfs/dbraw/zinc/41/52/77/808415277.db2.gz ASCPPOHGJJPHBR-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCCCC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001267603347 808457013 /nfs/dbraw/zinc/45/70/13/808457013.db2.gz PROIQQPLMJHDRK-POHAHGRESA-N 0 3 298.858 3.266 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001267711348 808474980 /nfs/dbraw/zinc/47/49/80/808474980.db2.gz SQHMORPCZIIRFN-JYJNAYRXSA-N 0 3 290.451 3.207 20 30 CGEDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC1(C#N)CCCC1 ZINC001173210019 808537558 /nfs/dbraw/zinc/53/75/58/808537558.db2.gz GQRSYNPVDOCJLQ-ZDUSSCGKSA-N 0 3 287.363 3.199 20 30 CGEDHN COc1ccc(Nc2ccc3nc(C)[nH]c3c2)cc1C#N ZINC001213074389 815223565 /nfs/dbraw/zinc/22/35/65/815223565.db2.gz RXKMMLQPXQWYOK-UHFFFAOYSA-N 0 3 278.315 3.495 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccc(C)cc1C ZINC001268232940 808564152 /nfs/dbraw/zinc/56/41/52/808564152.db2.gz NWCAVLGDPKUZHE-UHFFFAOYSA-N 0 3 288.435 3.160 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001268244343 808565967 /nfs/dbraw/zinc/56/59/67/808565967.db2.gz AMZIFQJSCUQODV-UHFFFAOYSA-N 0 3 288.435 3.097 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@H](C)c1ccccc1F ZINC001268659638 808605667 /nfs/dbraw/zinc/60/56/67/808605667.db2.gz YIURDCASVWMXMW-CHWSQXEVSA-N 0 3 292.398 3.193 20 30 CGEDHN N#CCC1CCC(N2CCC[C@@H]2c2ncccn2)CC1 ZINC001173338282 808618884 /nfs/dbraw/zinc/61/88/84/808618884.db2.gz GYAGUWBPNQIPJU-YMAMQOFZSA-N 0 3 270.380 3.086 20 30 CGEDHN CC(C)C[C@H]([NH2+][C@@H]1CCCC2(CCCCC2)C1)C(=O)N[O-] ZINC001173345304 808623320 /nfs/dbraw/zinc/62/33/20/808623320.db2.gz DZGWHEWBWIPCQA-CABCVRRESA-N 0 3 296.455 3.389 20 30 CGEDHN CC1(C#N)CCC(NCC(=O)c2cc(F)cc(F)c2)CC1 ZINC001173592693 808648326 /nfs/dbraw/zinc/64/83/26/808648326.db2.gz YZBZMLOZNMLWKA-UHFFFAOYSA-N 0 3 292.329 3.210 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001270663867 808741552 /nfs/dbraw/zinc/74/15/52/808741552.db2.gz GHEOKEWHKAFHSP-GOSISDBHSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001272546256 808815996 /nfs/dbraw/zinc/81/59/96/808815996.db2.gz RNOHUMGYPRQEKW-CYBMUJFWSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001275458223 808938095 /nfs/dbraw/zinc/93/80/95/808938095.db2.gz ABMHDIYOSNMALL-NXEZZACHSA-N 0 3 293.238 3.000 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)cc1 ZINC001275565041 808948485 /nfs/dbraw/zinc/94/84/85/808948485.db2.gz ACLISPRQTKAYIX-INIZCTEOSA-N 0 3 288.435 3.288 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001276460346 809010116 /nfs/dbraw/zinc/01/01/16/809010116.db2.gz LMAOCFNNYHLSQR-AWEZNQCLSA-N 0 3 294.483 3.461 20 30 CGEDHN Cc1cnccc1Nc1cc(C(F)(F)F)ccc1C#N ZINC001174539367 809071616 /nfs/dbraw/zinc/07/16/16/809071616.db2.gz JAJKTSSTDXOFQN-UHFFFAOYSA-N 0 3 277.249 3.446 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](CCC)C(C)C)C(C)(C)C1 ZINC001282823657 809265140 /nfs/dbraw/zinc/26/51/40/809265140.db2.gz WUQWXBDFHHUBBR-JKSUJKDBSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@H](CC)C(C)C)C(C)(C)C1 ZINC001282833147 809265778 /nfs/dbraw/zinc/26/57/78/809265778.db2.gz NDQBYEYTCKRIBR-JKSUJKDBSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)CCC)[C@@H]1C ZINC001284133096 809297656 /nfs/dbraw/zinc/29/76/56/809297656.db2.gz UGRQZNPQDBUAFH-LSDHHAIUSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)C(C)(F)F)C(C)C ZINC001284543298 809308195 /nfs/dbraw/zinc/30/81/95/809308195.db2.gz AJHAONKTWJMSJR-ZDUSSCGKSA-N 0 3 290.398 3.023 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(C2CC2)c1 ZINC001177111677 809781684 /nfs/dbraw/zinc/78/16/84/809781684.db2.gz XKKZPTTUOYNUCA-UHFFFAOYSA-N 0 3 292.810 3.026 20 30 CGEDHN CCc1ncsc1NC(=O)C(C#N)Cc1cccs1 ZINC001177908524 809831050 /nfs/dbraw/zinc/83/10/50/809831050.db2.gz LKOLHYCTZOCYSM-VIFPVBQESA-N 0 3 291.401 3.088 20 30 CGEDHN C#Cc1cccc(CNCc2cc(C)ccc2NC)c1 ZINC001178950656 809896400 /nfs/dbraw/zinc/89/64/00/809896400.db2.gz QZGOZWDZSGRJMZ-UHFFFAOYSA-N 0 3 264.372 3.308 20 30 CGEDHN C[C@@H](NCc1cn2ccnc2s1)c1cccc(C#N)c1 ZINC001179584621 809930957 /nfs/dbraw/zinc/93/09/57/809930957.db2.gz UUBWLOWWUKCQGF-LLVKDONJSA-N 0 3 282.372 3.118 20 30 CGEDHN CCCCCCC[C@H](C)C(=O)N1CC(C)(N(C)C)C1 ZINC001181122660 810039217 /nfs/dbraw/zinc/03/92/17/810039217.db2.gz NIAMFENIBHXTMT-AWEZNQCLSA-N 0 3 268.445 3.146 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OC)c(C(C)(C)C)c1 ZINC001181575080 810059717 /nfs/dbraw/zinc/05/97/17/810059717.db2.gz FECLCRTZLOYJFJ-CQSZACIVSA-N 0 3 259.393 3.494 20 30 CGEDHN C#C[C@@H](NCc1cc(Cl)cc(Cl)c1N)C(C)C ZINC001181576803 810060031 /nfs/dbraw/zinc/06/00/31/810060031.db2.gz OTSDUJIBTQJJCG-GFCCVEGCSA-N 0 3 271.191 3.323 20 30 CGEDHN C=CCCCN(CC)Cc1cc(C(F)(F)F)n[nH]1 ZINC001184187102 810180741 /nfs/dbraw/zinc/18/07/41/810180741.db2.gz BMKDRFFHAXKRMM-UHFFFAOYSA-N 0 3 261.291 3.217 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@H](NC/C=C\Cl)C2)CCCC1 ZINC001188490235 810485593 /nfs/dbraw/zinc/48/55/93/810485593.db2.gz LWOCPRWMCLUOHL-XTXQVDMPSA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCCC(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001189280055 810554251 /nfs/dbraw/zinc/55/42/51/810554251.db2.gz PUYQBIFQBVDOBU-YFWYWMRJSA-N 0 3 298.430 3.199 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@@H]2[C@H](C1)C2(F)F ZINC001192390854 810793479 /nfs/dbraw/zinc/79/34/79/810793479.db2.gz QALAHYVRLRRXJS-CABCVRRESA-N 0 3 276.330 3.262 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](F)CCCCCC)C1 ZINC001193479258 810894238 /nfs/dbraw/zinc/89/42/38/810894238.db2.gz UHLRVVKSKAMDNA-CABCVRRESA-N 0 3 284.419 3.014 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCC2CCCCC2)C1 ZINC001193865856 810970120 /nfs/dbraw/zinc/97/01/20/810970120.db2.gz SHYMXBXWLWHBLY-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC(=O)N1CCCN([C@@H](C)c2ccccc2)CC1 ZINC001195233330 811229827 /nfs/dbraw/zinc/22/98/27/811229827.db2.gz SLENMOSXWGHPEY-INIZCTEOSA-N 0 3 286.419 3.248 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CCCC(C)(C)C)CC1 ZINC001195274649 811235343 /nfs/dbraw/zinc/23/53/43/811235343.db2.gz JULRWUZRHRZTCH-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCCN(CC=C(C)C)CC1 ZINC001196889989 811379437 /nfs/dbraw/zinc/37/94/37/811379437.db2.gz MXAGJOBRBCATSU-MRXNPFEDSA-N 0 3 278.440 3.089 20 30 CGEDHN N#Cc1ccnc(CN2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1 ZINC001196899267 811380455 /nfs/dbraw/zinc/38/04/55/811380455.db2.gz QQNXGNFJIVJMIE-QRQLOZEOSA-N 0 3 289.382 3.189 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCCN(CCCCCF)CC1 ZINC001197036176 811391207 /nfs/dbraw/zinc/39/12/07/811391207.db2.gz BHYQHRRJJOCFPM-QGZVFWFLSA-N 0 3 298.446 3.263 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001197292415 811412136 /nfs/dbraw/zinc/41/21/36/811412136.db2.gz ZHAZNXLMPKHONU-UHFFFAOYSA-N 0 3 298.446 3.263 20 30 CGEDHN CCCCCCCCCNC(=S)N1CCCN(C)CC1 ZINC001200369177 811682620 /nfs/dbraw/zinc/68/26/20/811682620.db2.gz ORRIWHUXFXFQKL-UHFFFAOYSA-N 0 3 299.528 3.249 20 30 CGEDHN C=CCOCc1ncn2c1CN(C[C@H](C)CCC)CCC2 ZINC001201542758 811893121 /nfs/dbraw/zinc/89/31/21/811893121.db2.gz LVRYNCHDONUNPW-OAHLLOKOSA-N 0 3 291.439 3.228 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001201587740 811914108 /nfs/dbraw/zinc/91/41/08/811914108.db2.gz XQHKDDZMSMNXHF-UHFFFAOYSA-N 0 3 275.355 3.452 20 30 CGEDHN CCCCCCCN1CCCC[C@]12CC(=O)N(C)C2 ZINC001201762576 811963226 /nfs/dbraw/zinc/96/32/26/811963226.db2.gz PXUCAFQHIBFGGR-MRXNPFEDSA-N 0 3 266.429 3.044 20 30 CGEDHN CCCCCCCCN1Cc2cn(C)nc2[C@H](COC)C1 ZINC001201813024 811966136 /nfs/dbraw/zinc/96/61/36/811966136.db2.gz AKDZVJBNNLTCMQ-INIZCTEOSA-N 0 3 293.455 3.326 20 30 CGEDHN CCCCCCCCCCN1CCN2C(=O)CC[C@@H]2C1 ZINC001201875075 811973983 /nfs/dbraw/zinc/97/39/83/811973983.db2.gz OUCYCASFQLEWRO-MRXNPFEDSA-N 0 3 280.456 3.434 20 30 CGEDHN C#CC[C@@H](COC)NCc1ccc(OCCC(C)C)cc1 ZINC001203294160 812297299 /nfs/dbraw/zinc/29/72/99/812297299.db2.gz HKWHYIDQZOWURA-KRWDZBQOSA-N 0 3 289.419 3.239 20 30 CGEDHN CN1CCc2ccc(Nc3ccc(C#N)c(F)c3)cc2C1 ZINC001204075017 812542423 /nfs/dbraw/zinc/54/24/23/812542423.db2.gz ZKFLMGZXBVCLLZ-UHFFFAOYSA-N 0 3 281.334 3.429 20 30 CGEDHN C[NH+](C)Cc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001204654629 812701876 /nfs/dbraw/zinc/70/18/76/812701876.db2.gz URVDMTVCNNSHDL-VCHYOVAHSA-N 0 3 272.323 3.362 20 30 CGEDHN COC1(CN2CCC[C@](C)(C#N)C2)CCCCCC1 ZINC001204945161 812792264 /nfs/dbraw/zinc/79/22/64/812792264.db2.gz BJQCUXYVYXGPRI-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001206162380 813219956 /nfs/dbraw/zinc/21/99/56/813219956.db2.gz XGIYQWWCZVBSQC-OWCLPIDISA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCC/C=C/CN1CCN2CC[C@H]1C2 ZINC001208118874 813697456 /nfs/dbraw/zinc/69/74/56/813697456.db2.gz QRXIBBQMWJITOE-FDMDGMSGSA-N 0 3 250.430 3.293 20 30 CGEDHN CCCCCCC/C=C/CN1CC2(CN(C)C2)C1 ZINC001208124382 813697597 /nfs/dbraw/zinc/69/75/97/813697597.db2.gz OFUTYHAIBDDAAQ-MDZDMXLPSA-N 0 3 250.430 3.151 20 30 CGEDHN CCCCN(CCC#N)CCCC(C)(C)OC(C)=O ZINC001209154547 813949515 /nfs/dbraw/zinc/94/95/15/813949515.db2.gz NMIKRGOJBZHWSG-UHFFFAOYSA-N 0 3 268.401 3.124 20 30 CGEDHN C=CCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001209159006 813951292 /nfs/dbraw/zinc/95/12/92/813951292.db2.gz YYTBXSJIRBZJSI-KGLIPLIRSA-N 0 3 282.428 3.282 20 30 CGEDHN N#CCCN(CCCc1ccncc1)C1CCCC1 ZINC001209188314 813959107 /nfs/dbraw/zinc/95/91/07/813959107.db2.gz IWEOPQOVAKUXSW-UHFFFAOYSA-N 0 3 257.381 3.172 20 30 CGEDHN C=CCCCCN1CCN(c2ccccc2C#N)CC1 ZINC001209200288 813965373 /nfs/dbraw/zinc/96/53/73/813965373.db2.gz BEHFHHDMAMCAHU-UHFFFAOYSA-N 0 3 269.392 3.037 20 30 CGEDHN C=CCCCCN1CCCn2cnc(Cn3cccc3)c2C1 ZINC001209203629 813966045 /nfs/dbraw/zinc/96/60/45/813966045.db2.gz QXNGYSKSBHKXEM-UHFFFAOYSA-N 0 3 298.434 3.295 20 30 CGEDHN C=CCCCCN1CCN(c2cccc(C#N)c2)CC1 ZINC001209206841 813968714 /nfs/dbraw/zinc/96/87/14/813968714.db2.gz BWDFBQWFDILJIF-UHFFFAOYSA-N 0 3 269.392 3.037 20 30 CGEDHN C=CCCCCN1CCc2c(cccc2C(=O)OC)C1 ZINC001209208178 813968756 /nfs/dbraw/zinc/96/87/56/813968756.db2.gz LNWIGWASAYTQEL-UHFFFAOYSA-N 0 3 273.376 3.188 20 30 CGEDHN C=CCCCCCCN1CCN(C)c2ncccc2C1 ZINC001209437174 814036437 /nfs/dbraw/zinc/03/64/37/814036437.db2.gz HKMLHJMSPZRSKD-UHFFFAOYSA-N 0 3 273.424 3.470 20 30 CGEDHN C=CCCN(Cc1c[nH]nc1C)Cc1ccccc1 ZINC001209555672 814083385 /nfs/dbraw/zinc/08/33/85/814083385.db2.gz GFTLOKDNKOWJED-UHFFFAOYSA-N 0 3 255.365 3.296 20 30 CGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]nc1-c1ccccc1 ZINC001209763298 814133852 /nfs/dbraw/zinc/13/38/52/814133852.db2.gz YMGIMRCJPSWZJC-FFGGFLGDSA-N 0 3 292.386 3.343 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001210213598 814345404 /nfs/dbraw/zinc/34/54/04/814345404.db2.gz KZAGASZBJDZVSH-ARFHVFGLSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)[C@@H]1CC=C(C)[C@H](OC[C@H]2COC(C)(C)N2)C1 ZINC001217836892 815973718 /nfs/dbraw/zinc/97/37/18/815973718.db2.gz JDSCQVIPLPQKAP-QLFBSQMISA-N 0 3 265.397 3.029 20 30 CGEDHN CCCCCCC[C@H](C)CNC(=O)N[C@H]1CCCN(C)C1 ZINC001221270657 816307671 /nfs/dbraw/zinc/30/76/71/816307671.db2.gz GWNXGPWVBZAUPM-HOTGVXAUSA-N 0 3 297.487 3.376 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221853264 816330992 /nfs/dbraw/zinc/33/09/92/816330992.db2.gz CWMYKXSAEMGIRD-ARFHVFGLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H](CC)C(C)C)[C@@H]2C1 ZINC001221961127 816336229 /nfs/dbraw/zinc/33/62/29/816336229.db2.gz SMPWFKAJXMLRQQ-BRWVUGGUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@](C)(CC)CCC)C[C@@H]21 ZINC001223763717 816678519 /nfs/dbraw/zinc/67/85/19/816678519.db2.gz IVOKIJXQVGMSKR-RYRKJORJSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001224042132 816726568 /nfs/dbraw/zinc/72/65/68/816726568.db2.gz KCNYAKLPWVKDQC-OAHLLOKOSA-N 0 3 298.446 3.165 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001225403006 817040013 /nfs/dbraw/zinc/04/00/13/817040013.db2.gz NPCANDJKTFVKPA-NPUYYSGSSA-N 0 3 298.858 3.358 20 30 CGEDHN C=CCc1ccc(O[C@H]2CCCN(CC)C2)c(OC)c1 ZINC001227927045 817756618 /nfs/dbraw/zinc/75/66/18/817756618.db2.gz PGUSWWANWUAEKC-HNNXBMFYSA-N 0 3 275.392 3.287 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@@H](Oc3ccncc3)C2)c1 ZINC001231662210 818153374 /nfs/dbraw/zinc/15/33/74/818153374.db2.gz BVIMGYVCMOLODF-LJQANCHMSA-N 0 3 292.382 3.106 20 30 CGEDHN C#Cc1cccc(CN(CC)Cc2ccc3c(c2)OCO3)c1 ZINC001231664579 818153964 /nfs/dbraw/zinc/15/39/64/818153964.db2.gz SMTOIDMRZWQTFJ-UHFFFAOYSA-N 0 3 293.366 3.419 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)nc2C)C1 ZINC001231797777 818178743 /nfs/dbraw/zinc/17/87/43/818178743.db2.gz FZINIRQROMXOPO-MRXNPFEDSA-N 0 3 291.398 3.297 20 30 CGEDHN N#CC1CCN(Cc2cccc3c2CCCC3)CC1 ZINC001232633784 818405648 /nfs/dbraw/zinc/40/56/48/818405648.db2.gz FNWLPHDNXKVNMK-UHFFFAOYSA-N 0 3 254.377 3.301 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001233612819 818658702 /nfs/dbraw/zinc/65/87/02/818658702.db2.gz ZCIDCGVIRCFROU-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN CN1CCc2c(cccc2O[C@@H](C#N)c2ccccc2)C1 ZINC001234420344 818849939 /nfs/dbraw/zinc/84/99/39/818849939.db2.gz PTNDNFGVAUEYKF-SFHVURJKSA-N 0 3 278.355 3.318 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001234537298 818877290 /nfs/dbraw/zinc/87/72/90/818877290.db2.gz MLPABYSAQVLDIQ-HLRDLLSLSA-N 0 3 292.467 3.478 20 30 CGEDHN CCCCCCN1CCN(Cc2ccccc2CC#N)CC1 ZINC001235523392 819114927 /nfs/dbraw/zinc/11/49/27/819114927.db2.gz RCWVLLRPWBNMNZ-UHFFFAOYSA-N 0 3 299.462 3.451 20 30 CGEDHN N#Cc1nccc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236002782 819269150 /nfs/dbraw/zinc/26/91/50/819269150.db2.gz MOPAHNLHFBWTKZ-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CCc2ccc(N)cc2C1 ZINC001236235365 819396091 /nfs/dbraw/zinc/39/60/91/819396091.db2.gz YWXCBQJNQXXXRX-UHFFFAOYSA-N 0 3 291.398 3.261 20 30 CGEDHN CCc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001236795595 819597704 /nfs/dbraw/zinc/59/77/04/819597704.db2.gz WWSVQKVEBLDPJS-MKZZRHPPSA-N 0 3 270.376 3.221 20 30 CGEDHN CCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001236795595 819597709 /nfs/dbraw/zinc/59/77/09/819597709.db2.gz WWSVQKVEBLDPJS-MKZZRHPPSA-N 0 3 270.376 3.221 20 30 CGEDHN C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@]1(C)O ZINC001237747330 819836431 /nfs/dbraw/zinc/83/64/31/819836431.db2.gz UMHQSURVMRHSBM-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN SC1CCN(Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237832023 819856940 /nfs/dbraw/zinc/85/69/40/819856940.db2.gz DBJYISKUTXDPLB-UHFFFAOYSA-N 0 3 285.416 3.038 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(Cl)c(C#N)c2)CCC[C@@]1(C)O ZINC001238188400 819950582 /nfs/dbraw/zinc/95/05/82/819950582.db2.gz CNVYDYAFJRPHQB-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN CN(C)Cc1ccc(/C=C/c2ccc(C#N)cc2)nc1 ZINC001239283417 820252773 /nfs/dbraw/zinc/25/27/73/820252773.db2.gz BDHIDIWGICLFFN-VQHVLOKHSA-N 0 3 263.344 3.185 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NCc1ncc(C)s1 ZINC001340103653 936398447 /nfs/dbraw/zinc/39/84/47/936398447.db2.gz BJBYFAOUWZITAS-ZDUSSCGKSA-N 0 3 297.468 3.146 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001340458205 936405584 /nfs/dbraw/zinc/40/55/84/936405584.db2.gz YWJIJNMEJBHDFU-YNEHKIRRSA-N 0 3 299.349 3.278 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCc2ccccc2[C@H]1CC ZINC001340695796 936411657 /nfs/dbraw/zinc/41/16/57/936411657.db2.gz MRKVIEMLBIRNEV-IAGOWNOFSA-N 0 3 286.419 3.206 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@H](C)Cc1ccsc1 ZINC001341069122 936426512 /nfs/dbraw/zinc/42/65/12/936426512.db2.gz BHOBAPYZIFCYJM-HIFRSBDPSA-N 0 3 294.464 3.211 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H](C)c1cncs1 ZINC001341520509 936441024 /nfs/dbraw/zinc/44/10/24/936441024.db2.gz FGPGOOWRSWULJD-CHWSQXEVSA-N 0 3 297.468 3.398 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(SCC)c1 ZINC001343263108 936492614 /nfs/dbraw/zinc/49/26/14/936492614.db2.gz WLAXSAIWPCLPOH-CQSZACIVSA-N 0 3 278.421 3.421 20 30 CGEDHN N#CC(C(=O)C=Cc1ccccc1)c1cccc(F)n1 ZINC001343312959 936494677 /nfs/dbraw/zinc/49/46/77/936494677.db2.gz SJJDLGUTPLSORA-LXKVQUBZSA-N 0 3 266.275 3.110 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)Cc1ccc(C)cc1 ZINC001343999943 936522246 /nfs/dbraw/zinc/52/22/46/936522246.db2.gz MHSRGASCXPLPEZ-INIZCTEOSA-N 0 3 274.408 3.027 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(C)cc1C ZINC001345646118 936819680 /nfs/dbraw/zinc/81/96/80/936819680.db2.gz FRZQUYADLDKGCV-MRXNPFEDSA-N 0 3 295.386 3.329 20 30 CGEDHN C[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)C(F)(F)F ZINC001345622188 936817659 /nfs/dbraw/zinc/81/76/59/936817659.db2.gz VBYDOZSYPXUHER-XPUUQOCRSA-N 0 3 292.207 3.125 20 30 CGEDHN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001345622192 936817743 /nfs/dbraw/zinc/81/77/43/936817743.db2.gz VFBCMIBCRBFFOM-AIPRNEOBSA-N 0 3 290.313 3.218 20 30 CGEDHN C[C@H](Cc1ccco1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346001235 936833908 /nfs/dbraw/zinc/83/39/08/936833908.db2.gz WWUIAYOAUFDWSE-BXKDBHETSA-N 0 3 290.269 3.008 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001347338817 936880146 /nfs/dbraw/zinc/88/01/46/936880146.db2.gz VQJNFGQIUAMSDY-OLZOCXBDSA-N 0 3 271.364 3.050 20 30 CGEDHN C=CCCC[C@@H](NC(=O)[C@H](N)CC(F)F)c1ccccc1 ZINC001353146562 937058886 /nfs/dbraw/zinc/05/88/86/937058886.db2.gz PGYBOUSBOQIJTO-ZIAGYGMSSA-N 0 3 296.361 3.183 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cnn(CC)c1C ZINC001354579465 937106371 /nfs/dbraw/zinc/10/63/71/937106371.db2.gz ATBRQBNQQALKQU-CQSZACIVSA-N 0 3 294.443 3.228 20 30 CGEDHN C#CCN(CCC)CCNC(=O)C(C)(C)C1CCCCC1 ZINC001481150489 926896783 /nfs/dbraw/zinc/89/67/83/926896783.db2.gz JTNMCJFUWLABNB-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H](C)CC)C1CC1 ZINC001481927335 927113380 /nfs/dbraw/zinc/11/33/80/927113380.db2.gz OGRVYOJKRHOYKB-XHDPSFHLSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C(C)(C)C(=C)C)C(C)C ZINC001482548875 927284669 /nfs/dbraw/zinc/28/46/69/927284669.db2.gz UHLOCYKNALSTFB-CYBMUJFWSA-N 0 3 286.847 3.072 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCCC1(F)F)c1ccccn1 ZINC001356238223 937155493 /nfs/dbraw/zinc/15/54/93/937155493.db2.gz GRJNXWDTYIKFOS-QWRGUYRKSA-N 0 3 264.275 3.083 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@](C)(CC)c1ccccc1 ZINC001357253832 937168618 /nfs/dbraw/zinc/16/86/18/937168618.db2.gz KOYUFPPDWLACIC-RDJZCZTQSA-N 0 3 274.408 3.112 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001483628746 927552217 /nfs/dbraw/zinc/55/22/17/927552217.db2.gz GUDPRRPPULWHLB-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C1(CC=C)CCC1 ZINC001483676328 927566510 /nfs/dbraw/zinc/56/65/10/927566510.db2.gz BUAWTFUEMVZXRF-CVEARBPZSA-N 0 3 290.451 3.278 20 30 CGEDHN N#CC(C(=O)C1CCCC1)c1nccn1Cc1ccccc1 ZINC001357528053 937174128 /nfs/dbraw/zinc/17/41/28/937174128.db2.gz WCDKVHYGLOCURW-INIZCTEOSA-N 0 3 293.370 3.298 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001483699679 927579757 /nfs/dbraw/zinc/57/97/57/927579757.db2.gz QAOOUFVORSYMCS-QGZVFWFLSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC1(c2ccccc2Cl)CC1 ZINC001357668195 937177021 /nfs/dbraw/zinc/17/70/21/937177021.db2.gz MILKIOWZFDPCOZ-CQSZACIVSA-N 0 3 292.810 3.129 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(CC=C)CCCCC1 ZINC001485387188 927862240 /nfs/dbraw/zinc/86/22/40/927862240.db2.gz FWVBKBMYXFTOQD-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001485570741 927890983 /nfs/dbraw/zinc/89/09/83/927890983.db2.gz WJAYKSRXIWGJQQ-ZIAGYGMSSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C(C)C ZINC001486377364 928014982 /nfs/dbraw/zinc/01/49/82/928014982.db2.gz ZKKDBMNEBIHUEH-DLBZAZTESA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C(CCC)CCC)CC1 ZINC001486512816 928028536 /nfs/dbraw/zinc/02/85/36/928028536.db2.gz ATSJDDAAZJIMKC-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C[C@H](CCCC#N)NCc1ccncc1Br ZINC001172486031 928223710 /nfs/dbraw/zinc/22/37/10/928223710.db2.gz XVQCHADXTOUVPE-SNVBAGLBSA-N 0 3 282.185 3.016 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001490551115 928366205 /nfs/dbraw/zinc/36/62/05/928366205.db2.gz BYAIBUCMLDKCMK-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001490563503 928372295 /nfs/dbraw/zinc/37/22/95/928372295.db2.gz NZHKEMJRJMURPR-DLBZAZTESA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)CC(C)(C)C)CC1 ZINC001490610970 928377853 /nfs/dbraw/zinc/37/78/53/928377853.db2.gz ZSIXRJKYWVCMNK-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC001460826724 937547189 /nfs/dbraw/zinc/54/71/89/937547189.db2.gz OQCMYSNKAHBGMK-SMDDNHRTSA-N 0 3 295.810 3.253 20 30 CGEDHN C[C@@H](CCC#N)N1CCO[C@H](c2ccccc2)CC1 ZINC001460950754 937555643 /nfs/dbraw/zinc/55/56/43/937555643.db2.gz QVBXCFFPNLYZMZ-HOCLYGCPSA-N 0 3 258.365 3.142 20 30 CGEDHN C#C[C@H](Oc1ccc2c(c1)CCN(C)C2)c1ccccc1 ZINC001228936522 932054679 /nfs/dbraw/zinc/05/46/79/932054679.db2.gz JRTPAGDFTOZNKA-IBGZPJMESA-N 0 3 277.367 3.428 20 30 CGEDHN CC#CC[C@H](CC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228944116 932057637 /nfs/dbraw/zinc/05/76/37/932057637.db2.gz LRLDBSACTWOPDA-INIZCTEOSA-N 0 3 257.377 3.245 20 30 CGEDHN C=CC[C@@H](C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229307340 932129284 /nfs/dbraw/zinc/12/92/84/932129284.db2.gz VQXUMYSEYYSGDU-CYBMUJFWSA-N 0 3 261.365 3.164 20 30 CGEDHN C=C1O[C@H](CC)C(=O)C1Oc1cccc([C@H](C)N(C)C)c1 ZINC001229623003 932180117 /nfs/dbraw/zinc/18/01/17/932180117.db2.gz REYKDSPKVYXXAQ-XHDPSFHLSA-N 0 3 289.375 3.297 20 30 CGEDHN C#CC1(NCc2ccc(CC(C)C)nc2)CCCC1 ZINC001461712691 937593897 /nfs/dbraw/zinc/59/38/97/937593897.db2.gz IHJOIIUIJGLXNZ-UHFFFAOYSA-N 0 3 256.393 3.316 20 30 CGEDHN C[C@@H](C[NH+](C)C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229933042 932505534 /nfs/dbraw/zinc/50/55/34/932505534.db2.gz MCIIFBHVWDZAHW-BXUJETTOSA-N 0 3 298.386 3.472 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230845021 932630525 /nfs/dbraw/zinc/63/05/25/932630525.db2.gz UXXXYRCLQIPGIR-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C#C[C@H](N[C@H](C)Cc1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC001462125322 937619592 /nfs/dbraw/zinc/61/95/92/937619592.db2.gz NFAQSBJNSABXSZ-RLCCDNCMSA-N 0 3 295.785 3.181 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000442827180 932691502 /nfs/dbraw/zinc/69/15/02/932691502.db2.gz NRNJNVCMUMKYGM-HIFRSBDPSA-N 0 3 292.304 3.339 20 30 CGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001491933991 932798100 /nfs/dbraw/zinc/79/81/00/932798100.db2.gz GWNDFFVGIHXWOY-WBVHZDCISA-N 0 3 292.467 3.005 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001491965330 932799956 /nfs/dbraw/zinc/79/99/56/932799956.db2.gz JWWOSIDQBSFQGD-IRXDYDNUSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCN(C)CC1=CCCCC1 ZINC001492262072 932813826 /nfs/dbraw/zinc/81/38/26/932813826.db2.gz LEARSJDUQRHZOP-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN Cc1cc(F)c(C#N)c(N2CCN(C3CCCC3)CC2)c1 ZINC001306927921 932897708 /nfs/dbraw/zinc/89/77/08/932897708.db2.gz MRIITDPUSQLXFL-UHFFFAOYSA-N 0 3 287.382 3.070 20 30 CGEDHN C=CC[C@@H](C)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001307468562 932956145 /nfs/dbraw/zinc/95/61/45/932956145.db2.gz AUWBJIBHJFLHDN-DOMZBBRYSA-N 0 3 292.810 3.342 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cccc(OC(C)(C)C)n2)C1 ZINC001307871424 933011470 /nfs/dbraw/zinc/01/14/70/933011470.db2.gz BOASTNRQPCYITN-OAHLLOKOSA-N 0 3 286.419 3.494 20 30 CGEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(C)n1 ZINC001308389249 933105369 /nfs/dbraw/zinc/10/53/69/933105369.db2.gz CHIUBUDFWSSSKQ-GOSISDBHSA-N 0 3 277.371 3.347 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](NCC(C)(C)C#N)C1(C)C ZINC001308673837 933154631 /nfs/dbraw/zinc/15/46/31/933154631.db2.gz ZOWNVXIMFYRLJR-CHWSQXEVSA-N 0 3 252.402 3.110 20 30 CGEDHN C#C[C@@H](NCc1ccc2c(c1)OCCCCO2)C(C)(C)C ZINC001308795466 933178862 /nfs/dbraw/zinc/17/88/62/933178862.db2.gz RXFGISXORRYNSW-QGZVFWFLSA-N 0 3 287.403 3.376 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)C(C)C)CC1 ZINC001317007315 933512741 /nfs/dbraw/zinc/51/27/41/933512741.db2.gz XZKBOOYIQVKHLH-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001317041037 933518247 /nfs/dbraw/zinc/51/82/47/933518247.db2.gz SQGSBVGOUZHLAT-YESZJQIVSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@H](CN(C)C[C@@H](F)CC)C1 ZINC001317037471 933519930 /nfs/dbraw/zinc/51/99/30/933519930.db2.gz SYCGRJAIXHJZOA-CVEARBPZSA-N 0 3 298.446 3.261 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)C[C@@H](CC)c1ccccc1 ZINC001317467440 933600601 /nfs/dbraw/zinc/60/06/01/933600601.db2.gz SFKRUTLGIADUMQ-MRXNPFEDSA-N 0 3 288.435 3.194 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001318817003 933783546 /nfs/dbraw/zinc/78/35/46/933783546.db2.gz PVGMMMYIUFZUHA-CQSZACIVSA-N 0 3 298.858 3.147 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cc(F)cc3cccnc32)C1 ZINC001320378759 934039131 /nfs/dbraw/zinc/03/91/31/934039131.db2.gz YJGNLJFKBOFCRG-INIZCTEOSA-N 0 3 286.350 3.151 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(C)cccc1C ZINC001320557715 934064288 /nfs/dbraw/zinc/06/42/88/934064288.db2.gz SKBZTTMYPKIAJG-CQSZACIVSA-N 0 3 294.826 3.154 20 30 CGEDHN C=CCO[C@H]1CCN(c2c(C)cnc3ccccc32)C1 ZINC001320898459 934119596 /nfs/dbraw/zinc/11/95/96/934119596.db2.gz XTOXROWLPMDKRX-AWEZNQCLSA-N 0 3 268.360 3.325 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C(C)(C)C)CC1 ZINC001321690001 934202607 /nfs/dbraw/zinc/20/26/07/934202607.db2.gz PJZHFTYMYVUXTC-CQSZACIVSA-N 0 3 271.408 3.035 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@H](C)CC(C)(C)C ZINC001322248133 934264022 /nfs/dbraw/zinc/26/40/22/934264022.db2.gz IYZXTXDJTXWVLF-UONOGXRCSA-N 0 3 268.445 3.071 20 30 CGEDHN C=CCO[C@@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001323731473 934421675 /nfs/dbraw/zinc/42/16/75/934421675.db2.gz WCVHOEXLVRSVCS-ZBFHGGJFSA-N 0 3 261.340 3.090 20 30 CGEDHN C=C1CCC(CNC(=O)CN(C)CCCCCC)CC1 ZINC001471754615 937769034 /nfs/dbraw/zinc/76/90/34/937769034.db2.gz AZNGMMGANPTBAX-UHFFFAOYSA-N 0 3 280.456 3.361 20 30 CGEDHN Cc1cc(CN[C@H](CCCC#N)c2ccccc2)[nH]n1 ZINC001324338142 934489006 /nfs/dbraw/zinc/48/90/06/934489006.db2.gz ZPAACFCMCWNGLG-MRXNPFEDSA-N 0 3 268.364 3.243 20 30 CGEDHN C#CC[C@H](NCc1ccncc1C)c1ccccc1 ZINC001473331829 937801675 /nfs/dbraw/zinc/80/16/75/937801675.db2.gz OVJGHXHHPVVEJH-KRWDZBQOSA-N 0 3 250.345 3.244 20 30 CGEDHN CC(C)(NC[C@H](O)c1cccc(C#N)c1)c1ccccc1F ZINC001473506276 937809469 /nfs/dbraw/zinc/80/94/69/937809469.db2.gz LUFCZZKQSRHMOO-KRWDZBQOSA-N 0 3 298.361 3.256 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)CCCCC(C)(C)C ZINC001327212041 935045126 /nfs/dbraw/zinc/04/51/26/935045126.db2.gz AJFRPLGLFIYJGW-UHFFFAOYSA-N 0 3 294.483 3.397 20 30 CGEDHN C=CCCC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001328707355 935162009 /nfs/dbraw/zinc/16/20/09/935162009.db2.gz PJQNEQBZTIPMPW-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001329397184 935211708 /nfs/dbraw/zinc/21/17/08/935211708.db2.gz OGIUXFKQXXDCGM-KGLIPLIRSA-N 0 3 292.398 3.289 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(OCCC)cc1C ZINC001329548679 935227330 /nfs/dbraw/zinc/22/73/30/935227330.db2.gz PHJKEPDODTWBQV-OAHLLOKOSA-N 0 3 263.381 3.074 20 30 CGEDHN C#C[C@@H](NCc1ccc(-c2cnn(C)c2)cc1)C(C)(C)C ZINC001329849478 935249890 /nfs/dbraw/zinc/24/98/90/935249890.db2.gz LURMAUUJLFCPFZ-QGZVFWFLSA-N 0 3 281.403 3.225 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C(C)(C)C(=C)C ZINC001329937100 935256176 /nfs/dbraw/zinc/25/61/76/935256176.db2.gz LFEYAIMCWUSTEB-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCC1(O)CCN([C@@H]2CCc3c2cccc3F)CC1 ZINC001331707401 935405047 /nfs/dbraw/zinc/40/50/47/935405047.db2.gz SCTIGKKVQWTTLL-MRXNPFEDSA-N 0 3 275.367 3.216 20 30 CGEDHN Cc1ccc(CNCc2cccn2C2CC2)cc1C#N ZINC001332352842 935461411 /nfs/dbraw/zinc/46/14/11/935461411.db2.gz VAJINENSYWGXJP-UHFFFAOYSA-N 0 3 265.360 3.293 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCC1(C)C)C(C)C ZINC001332722113 935484467 /nfs/dbraw/zinc/48/44/67/935484467.db2.gz FQYFQQPBKVWEBQ-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cnc(OC)c3ccccc23)C1 ZINC001333021483 935505217 /nfs/dbraw/zinc/50/52/17/935505217.db2.gz GEQXOUGFMPYFHB-HNNXBMFYSA-N 0 3 298.386 3.020 20 30 CGEDHN CC1(C#N)CCN(C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC001334662573 936107962 /nfs/dbraw/zinc/10/79/62/936107962.db2.gz QEGPQLYKFDVUST-AWEZNQCLSA-N 0 3 262.397 3.104 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cccc(OCC(C)C)c2)C1 ZINC001336757509 936214707 /nfs/dbraw/zinc/21/47/07/936214707.db2.gz VFKBVURMVMXRNF-GOSISDBHSA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCCCN(CC)[C@@H](CC(C)C)C(=O)OCC ZINC001473861785 937825655 /nfs/dbraw/zinc/82/56/55/937825655.db2.gz LDEPVXRBZGWVCO-AWEZNQCLSA-N 0 3 255.402 3.252 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1OC ZINC001474099820 937840329 /nfs/dbraw/zinc/84/03/29/937840329.db2.gz HYKACNGTTKSXDB-ZDUSSCGKSA-N 0 3 286.375 3.439 20 30 CGEDHN C#CC[N@@H+](Cc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC001474339387 937852905 /nfs/dbraw/zinc/85/29/05/937852905.db2.gz IYRZDHRIRJADIE-UHFFFAOYSA-N 0 3 279.330 3.438 20 30 CGEDHN C#CC[N@H+](Cc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC001474339387 937852907 /nfs/dbraw/zinc/85/29/07/937852907.db2.gz IYRZDHRIRJADIE-UHFFFAOYSA-N 0 3 279.330 3.438 20 30 CGEDHN C#CCN(Cc1ccc(O)c(F)c1F)C1CCCCC1 ZINC001474339387 937852909 /nfs/dbraw/zinc/85/29/09/937852909.db2.gz IYRZDHRIRJADIE-UHFFFAOYSA-N 0 3 279.330 3.438 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc3scnc3c2)C1 ZINC001474389245 937856466 /nfs/dbraw/zinc/85/64/66/937856466.db2.gz KRZMFNZULKMRKB-CYBMUJFWSA-N 0 3 274.389 3.073 20 30 CGEDHN C#CC1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC001474683252 937875031 /nfs/dbraw/zinc/87/50/31/937875031.db2.gz WFCJSYRKUHGFDY-UHFFFAOYSA-N 0 3 278.739 3.284 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001479245695 937918178 /nfs/dbraw/zinc/91/81/78/937918178.db2.gz PLWKVXIERMMRDM-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(CCNC(=O)c1cc2cc(C)ccc2o1)C1CC1 ZINC001493449166 937950419 /nfs/dbraw/zinc/95/04/19/937950419.db2.gz ILUVAFFGCVYNIE-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001494327019 937954273 /nfs/dbraw/zinc/95/42/73/937954273.db2.gz MSOADWBSPOFKMR-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN1CC[C@H](N(CC)C(=O)CC2CCCCCC2)C1 ZINC001494913042 937957319 /nfs/dbraw/zinc/95/73/19/937957319.db2.gz KOAIPDTVYDHGHR-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC(=O)NC[C@H](CC)N[C@H](C)c1ccccc1F ZINC001494950590 937957503 /nfs/dbraw/zinc/95/75/03/937957503.db2.gz OAGIWIKVQAHTAH-KGLIPLIRSA-N 0 3 292.398 3.337 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(CCCC)cc1 ZINC001496746762 937963936 /nfs/dbraw/zinc/96/39/36/937963936.db2.gz REQSOTAHXQAMNO-UHFFFAOYSA-N 0 3 288.435 3.219 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CC1(C)CCCC1 ZINC001497181663 937964995 /nfs/dbraw/zinc/96/49/95/937964995.db2.gz SJYAHHPPSLHCNN-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)C(CCC)CCC)C[C@H]1C ZINC001502969960 937983885 /nfs/dbraw/zinc/98/38/85/937983885.db2.gz QFXFQCVGWAUESR-WBVHZDCISA-N 0 3 292.467 3.195 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001515835200 938007627 /nfs/dbraw/zinc/00/76/27/938007627.db2.gz GNHPCVFGFARVOF-KKUMJFAQSA-N 0 3 285.391 3.203 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC1C2CC3CC(C2)CC1C3 ZINC001515837626 938007650 /nfs/dbraw/zinc/00/76/50/938007650.db2.gz PQRMHXDMSRVGRK-UFYAKOEJSA-N 0 3 297.402 3.059 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001520036137 938022653 /nfs/dbraw/zinc/02/26/53/938022653.db2.gz KICUBDHFDJCAEW-XHSDSOJGSA-N 0 3 293.370 3.191 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC001520028484 938022688 /nfs/dbraw/zinc/02/26/88/938022688.db2.gz FOAVSCKOWNFZPE-UWVGGRQHSA-N 0 3 279.771 3.076 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC001521291006 938030893 /nfs/dbraw/zinc/03/08/93/938030893.db2.gz MCXXMTZKNJSOKZ-MRXNPFEDSA-N 0 3 299.418 3.085 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCCCC1(C)C ZINC001526593683 938056612 /nfs/dbraw/zinc/05/66/12/938056612.db2.gz IUAWGSFGVMHALV-QWHCGFSZSA-N 0 3 273.380 3.296 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)c(CC)s1 ZINC001556466035 938203874 /nfs/dbraw/zinc/20/38/74/938203874.db2.gz HEGBLLQIOOFRJO-UHFFFAOYSA-N 0 3 294.464 3.199 20 30 CGEDHN C#CCN(C[C@H]1CC(C)(C)CO1)[C@H]1CCc2ccccc21 ZINC001559499440 938227688 /nfs/dbraw/zinc/22/76/88/938227688.db2.gz UITPGBTWJJMBDD-AEFFLSMTSA-N 0 3 283.415 3.424 20 30 CGEDHN Cc1cc(C#N)ccc1CN(CCO)[C@H](C)c1ccccc1 ZINC001559663821 938232374 /nfs/dbraw/zinc/23/23/74/938232374.db2.gz OAPPSINUDKUSQU-MRXNPFEDSA-N 0 3 294.398 3.422 20 30 CGEDHN C#Cc1ccc(CN2CCOCC23CCCCC3)cc1 ZINC001560832930 938278473 /nfs/dbraw/zinc/27/84/73/938278473.db2.gz RZGLROJDHSASTH-UHFFFAOYSA-N 0 3 269.388 3.203 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001317557655 957897265 /nfs/dbraw/zinc/89/72/65/957897265.db2.gz GMTQCSZBKZJHQD-GJZGRUSLSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC001568697906 960451227 /nfs/dbraw/zinc/45/12/27/960451227.db2.gz UMDXHOGWFOTAKZ-QWHCGFSZSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)C2CC2)CC1 ZINC001566697382 960569188 /nfs/dbraw/zinc/56/91/88/960569188.db2.gz XOUKJWYUGMRGGE-OAHLLOKOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)CCC1CC1)c1ccccc1 ZINC001567657340 961379662 /nfs/dbraw/zinc/37/96/62/961379662.db2.gz IXXVQCCCDYFEJP-QGZVFWFLSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C=C2CCCCC2)C1 ZINC001567932308 961467840 /nfs/dbraw/zinc/46/78/40/961467840.db2.gz OHLAAEZEYMYIQD-QGZVFWFLSA-N 0 3 290.451 3.376 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C(C)=C/CC)cc1 ZINC001570030015 961885901 /nfs/dbraw/zinc/88/59/01/961885901.db2.gz MEGIIUXANMIWNA-WPBGYSLVSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001570395777 961958967 /nfs/dbraw/zinc/95/89/67/961958967.db2.gz QGAAMSFLZAEHDT-ZIAGYGMSSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2(C)CC2)CC1 ZINC001570501806 961975589 /nfs/dbraw/zinc/97/55/89/961975589.db2.gz VLWUPAHQLPBDDG-UHFFFAOYSA-N 0 3 298.858 3.100 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(C)=C1CCC1 ZINC001570673439 962032394 /nfs/dbraw/zinc/03/23/94/962032394.db2.gz CDTGMZWOMNQARX-UHFFFAOYSA-N 0 3 298.858 3.314 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001571517247 962169645 /nfs/dbraw/zinc/16/96/45/962169645.db2.gz PTEKPPOJKZETHV-ZBFHGGJFSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CCC[C@H](CCC)[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001573334138 962252869 /nfs/dbraw/zinc/25/28/69/962252869.db2.gz KIDGHDVFNIAFBZ-INIZCTEOSA-N 0 3 299.422 3.134 20 30 CGEDHN C=CCC[C@H](CCC)[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001573334138 962252889 /nfs/dbraw/zinc/25/28/89/962252889.db2.gz KIDGHDVFNIAFBZ-INIZCTEOSA-N 0 3 299.422 3.134 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(F)cccc1NC(C)C ZINC001574856627 962318828 /nfs/dbraw/zinc/31/88/28/962318828.db2.gz CLNYYLHISRNERK-LLVKDONJSA-N 0 3 299.777 3.054 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](N)CCC(C)C ZINC001574836512 962323173 /nfs/dbraw/zinc/32/31/73/962323173.db2.gz NWYLOQAGNZFYHE-KRWDZBQOSA-N 0 3 288.435 3.355 20 30 CGEDHN C=CCC1(CNC(=O)[C@H](N)CCC(C)C)CCCC1 ZINC001574897590 962327487 /nfs/dbraw/zinc/32/74/87/962327487.db2.gz QZKOSJZKWHAVCU-CQSZACIVSA-N 0 3 266.429 3.003 20 30 CGEDHN CC(C)[C@@H](C)N(C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC001575417887 962375505 /nfs/dbraw/zinc/37/55/05/962375505.db2.gz JBDSQMMMWQLNMU-ZBFHGGJFSA-N 0 3 287.407 3.085 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC=C(Cl)C1 ZINC001577425991 962545060 /nfs/dbraw/zinc/54/50/60/962545060.db2.gz DPXXJIXJCWAJGA-AWEZNQCLSA-N 0 3 286.847 3.419 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)CCC ZINC001588647761 963299636 /nfs/dbraw/zinc/29/96/36/963299636.db2.gz BLLDYNJEPMWRRY-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)CCC ZINC001588647761 963299649 /nfs/dbraw/zinc/29/96/49/963299649.db2.gz BLLDYNJEPMWRRY-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)CCC ZINC001588647761 963299661 /nfs/dbraw/zinc/29/96/61/963299661.db2.gz BLLDYNJEPMWRRY-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)CCC ZINC001588647761 963299672 /nfs/dbraw/zinc/29/96/72/963299672.db2.gz BLLDYNJEPMWRRY-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN N#CC1(CC(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000590153492 346832831 /nfs/dbraw/zinc/83/28/31/346832831.db2.gz DICANPGWCUOUQO-UHFFFAOYSA-N 0 3 297.402 3.305 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cn3cc(C)ccc3n2)C1 ZINC000651704968 398271965 /nfs/dbraw/zinc/27/19/65/398271965.db2.gz BBARGBUQGABTNV-GJZGRUSLSA-N 0 3 269.392 3.477 20 30 CGEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCCC(C)(C)C#N ZINC000350473128 529384683 /nfs/dbraw/zinc/38/46/83/529384683.db2.gz FLJQVNBDUNDQGO-CVEARBPZSA-N 0 3 293.455 3.038 20 30 CGEDHN CC(C)n1cc(C2=CCCN([C@H]3CC[C@H](C#N)C3)CC2)nn1 ZINC000590659209 346860970 /nfs/dbraw/zinc/86/09/70/346860970.db2.gz YHZZZIQENIGTAN-HOCLYGCPSA-N 0 3 299.422 3.030 20 30 CGEDHN CC[C@H](C)N1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000590761903 346872580 /nfs/dbraw/zinc/87/25/80/346872580.db2.gz MZLLDDRNQHHJDJ-INIZCTEOSA-N 0 3 299.462 3.404 20 30 CGEDHN COCC[C@H](NCc1cccc(C#N)c1F)C(C)(C)C ZINC000338343834 214540134 /nfs/dbraw/zinc/54/01/34/214540134.db2.gz BIFWVKZNSHWUAQ-AWEZNQCLSA-N 0 3 278.371 3.238 20 30 CGEDHN COC1([C@@H](C)NCc2ccc(C#N)cc2F)CCCC1 ZINC000591531488 346928427 /nfs/dbraw/zinc/92/84/27/346928427.db2.gz BWZFQAPGCXRZER-GFCCVEGCSA-N 0 3 276.355 3.135 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000592071159 346959954 /nfs/dbraw/zinc/95/99/54/346959954.db2.gz DLCOHHSAYGCEHK-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN CC(C)(C#N)CCCCN1CCOC[C@@H]1C1CCC1 ZINC000592153506 346968072 /nfs/dbraw/zinc/96/80/72/346968072.db2.gz BKERSPGFLMCIGN-OAHLLOKOSA-N 0 3 264.413 3.207 20 30 CGEDHN N#Cc1cc(CN[C@H]2CCCC[C@H]2C(F)(F)F)ccn1 ZINC000592212023 346973071 /nfs/dbraw/zinc/97/30/71/346973071.db2.gz KRGYQXQFYRPEAX-OLZOCXBDSA-N 0 3 283.297 3.164 20 30 CGEDHN CCCCN(CC1(C#N)CC1)[C@@H]1CCc2ncsc2C1 ZINC000592189833 346969969 /nfs/dbraw/zinc/96/99/69/346969969.db2.gz XFYNOZWKDSUGOX-CYBMUJFWSA-N 0 3 289.448 3.406 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592903473 347021067 /nfs/dbraw/zinc/02/10/67/347021067.db2.gz OOGIYXCSWYGMTL-LUKYLMHMSA-N 0 3 282.387 3.064 20 30 CGEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593025873 347029387 /nfs/dbraw/zinc/02/93/87/347029387.db2.gz UECDKDWVQCQZJY-TYNCELHUSA-N 0 3 287.363 3.381 20 30 CGEDHN CN1CCN(CCCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593090866 347038388 /nfs/dbraw/zinc/03/83/88/347038388.db2.gz YUZHYTMOYQBYGH-GOSISDBHSA-N 0 3 299.462 3.175 20 30 CGEDHN CN(CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000021364879 344893143 /nfs/dbraw/zinc/89/31/43/344893143.db2.gz PDDYYELQEGQIBY-UHFFFAOYSA-N 0 3 299.399 3.080 20 30 CGEDHN C[C@@H](NCc1ccc(O)cc1)c1ccc(C#N)cc1 ZINC000035256332 344942087 /nfs/dbraw/zinc/94/20/87/344942087.db2.gz ZQDLEWNBLHRVSN-GFCCVEGCSA-N 0 3 252.317 3.115 20 30 CGEDHN COc1ccc(CN(C)CCOc2ccc(C#N)cc2)cc1 ZINC000042975917 344991644 /nfs/dbraw/zinc/99/16/44/344991644.db2.gz XZJZEXXMPLLMMM-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN N#Cc1ccc(N[C@H]2CCN(C3CC3)C2)cc1C(F)(F)F ZINC000044679003 345015189 /nfs/dbraw/zinc/01/51/89/345015189.db2.gz JPZDSFUHSKBEMR-LBPRGKRZSA-N 0 3 295.308 3.226 20 30 CGEDHN C=C(C)CN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000050274316 345079873 /nfs/dbraw/zinc/07/98/73/345079873.db2.gz SLFBTTUPAMMXFM-HNNXBMFYSA-N 0 3 261.365 3.417 20 30 CGEDHN COc1ccc(CN(C)CCOc2cccc(C#N)c2)cc1 ZINC000051317416 345089182 /nfs/dbraw/zinc/08/91/82/345089182.db2.gz SXJNKRSWQUTLKY-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H]1CCCCO1 ZINC000065959806 345282342 /nfs/dbraw/zinc/28/23/42/345282342.db2.gz HTNMLRMFGRAMAY-KRWDZBQOSA-N 0 3 259.393 3.286 20 30 CGEDHN CCN(Cc1ccc(CN(C)C)cc1)c1ccc(C#N)cn1 ZINC000066816201 345307251 /nfs/dbraw/zinc/30/72/51/345307251.db2.gz AKAOVZJMLKHRPI-UHFFFAOYSA-N 0 3 294.402 3.041 20 30 CGEDHN Cc1cc(F)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000076822222 345552100 /nfs/dbraw/zinc/55/21/00/345552100.db2.gz YKJKXSQIQBSYPE-CQSZACIVSA-N 0 3 283.306 3.031 20 30 CGEDHN CC[C@H]1C[C@@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000080656104 345682302 /nfs/dbraw/zinc/68/23/02/345682302.db2.gz JXJUHIWZVRAJKN-DOMZBBRYSA-N 0 3 296.374 3.229 20 30 CGEDHN N#CCN1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000086169268 345748152 /nfs/dbraw/zinc/74/81/52/345748152.db2.gz WAVQQUDCDIVZEN-UHFFFAOYSA-N 0 3 283.419 3.031 20 30 CGEDHN N#CCCCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084135309 345729778 /nfs/dbraw/zinc/72/97/78/345729778.db2.gz CHAGVDPGLOITRP-INIZCTEOSA-N 0 3 284.359 3.119 20 30 CGEDHN C=CCCC[C@@H](C)N1CCCN(CC(F)(F)F)CC1 ZINC000091508461 345817247 /nfs/dbraw/zinc/81/72/47/345817247.db2.gz ARVUDZMQCDIAAX-CYBMUJFWSA-N 0 3 278.362 3.301 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)C1CCC(CO)CC1 ZINC000089923870 345777238 /nfs/dbraw/zinc/77/72/38/345777238.db2.gz SMHSJUVNHKCUQP-UHFFFAOYSA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2cnccc2C#N)CN1Cc1ccccc1 ZINC000091739543 345822654 /nfs/dbraw/zinc/82/26/54/345822654.db2.gz AJLBJNXJPVUQTC-RHSMWYFYSA-N 0 3 292.386 3.028 20 30 CGEDHN C[C@H](NCCOc1ccccc1F)c1ccc(C#N)cc1 ZINC000118391012 345988996 /nfs/dbraw/zinc/98/89/96/345988996.db2.gz IDSNWCJLKFYIEQ-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN N#Cc1ccc(CN2CCc3ccccc3CC2)s1 ZINC000125973479 346021179 /nfs/dbraw/zinc/02/11/79/346021179.db2.gz LWIICVWLUOBFDP-UHFFFAOYSA-N 0 3 268.385 3.221 20 30 CGEDHN COc1ccc(C[C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000151139777 346135829 /nfs/dbraw/zinc/13/58/29/346135829.db2.gz LKJAMHWVBVMGGJ-CYBMUJFWSA-N 0 3 298.361 3.427 20 30 CGEDHN C=CC(C)(C)CC[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000624037112 349951971 /nfs/dbraw/zinc/95/19/71/349951971.db2.gz MOTVFHMVCDJRCO-AWEZNQCLSA-N 0 3 270.380 3.086 20 30 CGEDHN C=CC(C)(C)CCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000624037112 349951975 /nfs/dbraw/zinc/95/19/75/349951975.db2.gz MOTVFHMVCDJRCO-AWEZNQCLSA-N 0 3 270.380 3.086 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ncc(Br)cn1 ZINC000340423801 346502588 /nfs/dbraw/zinc/50/25/88/346502588.db2.gz OECIOAUGEXERNJ-DCAQKATOSA-N 0 3 298.228 3.490 20 30 CGEDHN C=CCC(C)(C)CNCc1cnc2ccccc2n1 ZINC000381688900 346559093 /nfs/dbraw/zinc/55/90/93/346559093.db2.gz CVTQOFJKPFLODY-UHFFFAOYSA-N 0 3 255.365 3.322 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000397867640 346585320 /nfs/dbraw/zinc/58/53/20/346585320.db2.gz WQMVERMKGMXOSX-GJZGRUSLSA-N 0 3 262.397 3.104 20 30 CGEDHN COc1cc(CN2CCC[C@@H](C3CC3)C2)ccc1C#N ZINC000589209354 346790643 /nfs/dbraw/zinc/79/06/43/346790643.db2.gz HNVFNXYBWAFCPG-MRXNPFEDSA-N 0 3 270.376 3.189 20 30 CGEDHN CCc1csc(CC2CCN(CCCC#N)CC2)n1 ZINC000594019656 347138009 /nfs/dbraw/zinc/13/80/09/347138009.db2.gz PDAXVJYOAZGEPP-UHFFFAOYSA-N 0 3 277.437 3.264 20 30 CGEDHN C[C@@H](NC[C@@H](C#N)CCC#N)C1CCC(F)(F)CC1 ZINC000594043111 347143189 /nfs/dbraw/zinc/14/31/89/347143189.db2.gz GBXQRBCNGRIWEF-VXGBXAGGSA-N 0 3 269.339 3.234 20 30 CGEDHN CC(C)c1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594424688 347174014 /nfs/dbraw/zinc/17/40/14/347174014.db2.gz IGPTXZFXCYDONF-AWEZNQCLSA-N 0 3 273.380 3.160 20 30 CGEDHN CC(C)CC[C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000594442941 347174441 /nfs/dbraw/zinc/17/44/41/347174441.db2.gz DFZBLHNPZWMBGU-HUUCEWRRSA-N 0 3 295.471 3.365 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCCOCC2CC2)cc1 ZINC000594497799 347179030 /nfs/dbraw/zinc/17/90/30/347179030.db2.gz GOSOEWNTYOGTBH-UHFFFAOYSA-N 0 3 272.392 3.004 20 30 CGEDHN C[C@H](Cc1ccccn1)N[C@H](C)c1ccc(C#N)cc1F ZINC000594514862 347185436 /nfs/dbraw/zinc/18/54/36/347185436.db2.gz LJPIOQFZVWBGCT-CHWSQXEVSA-N 0 3 283.350 3.374 20 30 CGEDHN N#CC1(c2ccc(CN[C@H](CO)c3ccccc3)cc2)CC1 ZINC000594921220 347229882 /nfs/dbraw/zinc/22/98/82/347229882.db2.gz GPHHOVZUSZVJIO-GOSISDBHSA-N 0 3 292.382 3.065 20 30 CGEDHN CC[C@H](Cc1ccc(F)cc1)NCc1nc(C#N)cs1 ZINC000594954457 347240053 /nfs/dbraw/zinc/24/00/53/347240053.db2.gz ZWAHCLILVHRJDY-CYBMUJFWSA-N 0 3 289.379 3.265 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000594962829 347243048 /nfs/dbraw/zinc/24/30/48/347243048.db2.gz KXVCNPVZHIUWPS-YPMHNXCESA-N 0 3 261.394 3.239 20 30 CGEDHN CO[C@H]1CCC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594981123 347247581 /nfs/dbraw/zinc/24/75/81/347247581.db2.gz HHQZEEOQSMOUDO-KGLIPLIRSA-N 0 3 250.386 3.008 20 30 CGEDHN CC(C)=CCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594982342 347248610 /nfs/dbraw/zinc/24/86/10/347248610.db2.gz FCYBMQPIEGROOT-UHFFFAOYSA-N 0 3 270.376 3.120 20 30 CGEDHN C[C@H]1CCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594986160 347249137 /nfs/dbraw/zinc/24/91/37/347249137.db2.gz SNCJULWENZCSGR-YOEHRIQHSA-N 0 3 284.403 3.289 20 30 CGEDHN C[C@@H](NC[C@H]1CCOC1(C)C)c1ccc(C#N)cc1F ZINC000595104929 347284361 /nfs/dbraw/zinc/28/43/61/347284361.db2.gz ALAPOOSNZKDXAV-DGCLKSJQSA-N 0 3 276.355 3.163 20 30 CGEDHN C[C@H](O)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000595101280 347284395 /nfs/dbraw/zinc/28/43/95/347284395.db2.gz CSVMZLXUPBCESB-BKTGTZMESA-N 0 3 292.382 3.257 20 30 CGEDHN CCCCC[C@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000595260240 347286424 /nfs/dbraw/zinc/28/64/24/347286424.db2.gz YBSAUXMIAGMBGB-JKSUJKDBSA-N 0 3 293.455 3.359 20 30 CGEDHN C[C@@H](NC[C@@H]1CCN1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054469 347270828 /nfs/dbraw/zinc/27/08/28/347270828.db2.gz PTASMNPNVRJEOA-DOMZBBRYSA-N 0 3 289.398 3.221 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cnccc1C ZINC000595061263 347274734 /nfs/dbraw/zinc/27/47/34/347274734.db2.gz ZMTQSWDXVPTXBY-CYBMUJFWSA-N 0 3 250.411 3.350 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1ccc(F)cn1 ZINC000595061061 347274776 /nfs/dbraw/zinc/27/47/76/347274776.db2.gz XWVMXMBOUMFVSA-NSHDSACASA-N 0 3 254.374 3.181 20 30 CGEDHN C=CCCSCCN[C@H](C)c1ccc(F)cn1 ZINC000595061060 347274798 /nfs/dbraw/zinc/27/47/98/347274798.db2.gz XWVMXMBOUMFVSA-LLVKDONJSA-N 0 3 254.374 3.181 20 30 CGEDHN C[C@H](NC[C@@]1(C)CC1(F)F)c1ccc(C#N)cc1F ZINC000595081836 347279793 /nfs/dbraw/zinc/27/97/93/347279793.db2.gz SHLSOUNHJQEISB-TVQRCGJNSA-N 0 3 268.282 3.393 20 30 CGEDHN COCC[C@@H]1CCC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595090533 347280261 /nfs/dbraw/zinc/28/02/61/347280261.db2.gz HISQHDMRSSGYNG-GJZGRUSLSA-N 0 3 264.413 3.255 20 30 CGEDHN N#CC[C@@H]1CCCN(CCOc2cccc(Cl)c2)C1 ZINC000595609454 347325363 /nfs/dbraw/zinc/32/53/63/347325363.db2.gz JXXXQJJCABKKTD-ZDUSSCGKSA-N 0 3 278.783 3.344 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000595610958 347326717 /nfs/dbraw/zinc/32/67/17/347326717.db2.gz DVQNBPMFVKBEEX-GFCCVEGCSA-N 0 3 280.318 3.414 20 30 CGEDHN CN(CCCN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595623106 347329431 /nfs/dbraw/zinc/32/94/31/347329431.db2.gz HORMVJHHMIPJBI-INIZCTEOSA-N 0 3 271.408 3.139 20 30 CGEDHN CC(C)CCOCCNC(C)(C)c1cccc(C#N)c1 ZINC000595634901 347330957 /nfs/dbraw/zinc/33/09/57/347330957.db2.gz HYFISNQPVBDNEV-UHFFFAOYSA-N 0 3 274.408 3.446 20 30 CGEDHN C[C@@H]1COC2(CCCC2)CN1CCCC(C)(C)C#N ZINC000595815285 347359291 /nfs/dbraw/zinc/35/92/91/347359291.db2.gz NQQUCFQAKHJAHH-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](CCF)C2)cc1C#N ZINC000595756729 347351461 /nfs/dbraw/zinc/35/14/61/347351461.db2.gz WEQZAOQRNZQTBC-ZDUSSCGKSA-N 0 3 276.355 3.138 20 30 CGEDHN C=CCC1(NCc2cccc(C(=O)OC)c2C#N)CCCC1 ZINC000595779585 347355138 /nfs/dbraw/zinc/35/51/38/347355138.db2.gz AJXZSXQHTUVEGI-UHFFFAOYSA-N 0 3 298.386 3.323 20 30 CGEDHN CC(C)CC1(N[C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000595831459 347362498 /nfs/dbraw/zinc/36/24/98/347362498.db2.gz OWUCWPVCXQWYAC-CYBMUJFWSA-N 0 3 285.391 3.054 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595845305 347367099 /nfs/dbraw/zinc/36/70/99/347367099.db2.gz KYEZUZHIHHATKL-OKILXGFUSA-N 0 3 288.347 3.286 20 30 CGEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1F ZINC000595858700 347368150 /nfs/dbraw/zinc/36/81/50/347368150.db2.gz YSCVQVUCWQWSOT-PHTAMDTFSA-N 0 3 258.340 3.460 20 30 CGEDHN CC[C@H](Cc1ccc(Br)cc1)NCCC#N ZINC000596065663 347378592 /nfs/dbraw/zinc/37/85/92/347378592.db2.gz IYNOAIGVOJFLND-CYBMUJFWSA-N 0 3 281.197 3.273 20 30 CGEDHN Cn1nccc1-c1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000597178500 347545228 /nfs/dbraw/zinc/54/52/28/347545228.db2.gz YZEROACDBKTQOT-OAHLLOKOSA-N 0 3 294.402 3.213 20 30 CGEDHN CC(C)(CCC#N)CN1CCOC(C2CC2)(C2CC2)C1 ZINC000597227804 347557938 /nfs/dbraw/zinc/55/79/38/347557938.db2.gz UUZWEZRWEHUOSY-UHFFFAOYSA-N 0 3 276.424 3.207 20 30 CGEDHN CC(C#N)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 ZINC000598097421 347627191 /nfs/dbraw/zinc/62/71/91/347627191.db2.gz OBGSRZRJWNMSEG-LLVKDONJSA-N 0 3 250.386 3.209 20 30 CGEDHN COc1ccc(F)c(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000598676495 347677916 /nfs/dbraw/zinc/67/79/16/347677916.db2.gz JAYPNCUYONDILM-AAEUAGOBSA-N 0 3 262.328 3.006 20 30 CGEDHN C[C@H](NCC[C@@H]1CC1(F)F)c1ccc(C#N)cc1F ZINC000598678889 347678109 /nfs/dbraw/zinc/67/81/09/347678109.db2.gz AGADHSHRZCMFJU-GXSJLCMTSA-N 0 3 268.282 3.393 20 30 CGEDHN Cc1ccc2oc(CNC[C@@H](O)CC(C)(C)C#N)cc2c1 ZINC000598706673 347680559 /nfs/dbraw/zinc/68/05/59/347680559.db2.gz TUKKBXJZWMVICE-AWEZNQCLSA-N 0 3 286.375 3.132 20 30 CGEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)[C@@H]1CCCCO1 ZINC000599037414 347708803 /nfs/dbraw/zinc/70/88/03/347708803.db2.gz AXABZTDMHAIACW-BBRMVZONSA-N 0 3 270.376 3.095 20 30 CGEDHN Cc1csc([C@H](C)NCC2CCC(C#N)CC2)n1 ZINC000599046998 347710193 /nfs/dbraw/zinc/71/01/93/347710193.db2.gz VTPKSWSHNDFDJC-HIFPTAJRSA-N 0 3 263.410 3.432 20 30 CGEDHN N#Cc1ccc(CCN[C@@H]2CCCc3scnc32)cc1 ZINC000599056678 347712130 /nfs/dbraw/zinc/71/21/30/347712130.db2.gz YOMFANBMYUIUSG-CQSZACIVSA-N 0 3 283.400 3.224 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1Cc2ccccc2C(C)(C)C1 ZINC000598601129 347669922 /nfs/dbraw/zinc/66/99/22/347669922.db2.gz ZNPQZRRXUXRLJG-HNNXBMFYSA-N 0 3 286.419 3.081 20 30 CGEDHN CCOc1cccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)c1 ZINC000598602134 347670149 /nfs/dbraw/zinc/67/01/49/347670149.db2.gz LFRLFVJFQNWXAA-DZGCQCFKSA-N 0 3 290.407 3.037 20 30 CGEDHN CCO[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000599272940 347731337 /nfs/dbraw/zinc/73/13/37/347731337.db2.gz UEPHNXBCKWNIPU-GOSISDBHSA-N 0 3 284.403 3.338 20 30 CGEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cc(F)ccc1F ZINC000599356256 347739142 /nfs/dbraw/zinc/73/91/42/347739142.db2.gz KMXSNNIJHZLMIP-SWLSCSKDSA-N 0 3 294.345 3.060 20 30 CGEDHN CCO[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599434222 347744423 /nfs/dbraw/zinc/74/44/23/347744423.db2.gz VDZQIVSQLBQSPH-WMLDXEAASA-N 0 3 272.392 3.114 20 30 CGEDHN Cc1ccc(CN2CCC(c3ccncn3)CC2)cc1C#N ZINC000599438936 347745681 /nfs/dbraw/zinc/74/56/81/347745681.db2.gz VCUUESOXZNZROX-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN N#Cc1cc(CN2CC[C@H]3CC[C@@H](C2)S3)ccc1F ZINC000599553355 347754308 /nfs/dbraw/zinc/75/43/08/347754308.db2.gz QGUNOLOPTVVYOS-KGLIPLIRSA-N 0 3 276.380 3.167 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592383 347756895 /nfs/dbraw/zinc/75/68/95/347756895.db2.gz YMBBOEJTBASLKJ-ILXRZTDVSA-N 0 3 279.424 3.088 20 30 CGEDHN C=CC(C)(C)CCNCc1cc(C(=O)OC)oc1C ZINC000600185475 347790376 /nfs/dbraw/zinc/79/03/76/347790376.db2.gz XOEZTBOBGARNEM-UHFFFAOYSA-N 0 3 265.353 3.067 20 30 CGEDHN COc1cc(F)cc(OC)c1CNCC(C)(C)CCC#N ZINC000601125962 347872201 /nfs/dbraw/zinc/87/22/01/347872201.db2.gz XLWVSNRYYXKCSB-UHFFFAOYSA-N 0 3 294.370 3.262 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)s1 ZINC000601155632 347876263 /nfs/dbraw/zinc/87/62/63/347876263.db2.gz CJJHDRPYCPUNLX-GJZGRUSLSA-N 0 3 276.405 3.057 20 30 CGEDHN C[C@@H](CCc1cccn1C)NCc1cccc(F)c1C#N ZINC000602010694 347932822 /nfs/dbraw/zinc/93/28/22/347932822.db2.gz IDQHXMIQADDSQT-ZDUSSCGKSA-N 0 3 285.366 3.147 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000602016526 347933201 /nfs/dbraw/zinc/93/32/01/347933201.db2.gz FLJHOMDZBMGJBM-SJORKVTESA-N 0 3 288.366 3.135 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@H]1CCOC2(CCC2)C1 ZINC000602018824 347933228 /nfs/dbraw/zinc/93/32/28/347933228.db2.gz AFZUUHJKVVIWHZ-ZDUSSCGKSA-N 0 3 288.366 3.136 20 30 CGEDHN C[C@@H](CNCc1cccc(F)c1C#N)CC(F)(F)F ZINC000602022158 347934088 /nfs/dbraw/zinc/93/40/88/347934088.db2.gz XUENBVVAQSOTNV-SECBINFHSA-N 0 3 274.261 3.375 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCC12CC2 ZINC000601704345 347908455 /nfs/dbraw/zinc/90/84/55/347908455.db2.gz JPHZTUXXTSYDMO-HZPDHXFCSA-N 0 3 282.387 3.208 20 30 CGEDHN Cc1ccccc1N1CCN(C[C@H](C)CCC#N)CC1 ZINC000602433442 347956876 /nfs/dbraw/zinc/95/68/76/347956876.db2.gz LGFOWSAIQRNPNQ-OAHLLOKOSA-N 0 3 271.408 3.057 20 30 CGEDHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cccc(C#N)n1 ZINC000602478106 347965834 /nfs/dbraw/zinc/96/58/34/347965834.db2.gz WJHDLLJCZXDQCB-RDTXWAMCSA-N 0 3 277.371 3.331 20 30 CGEDHN CCCC[C@@H]1CCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602535051 347977272 /nfs/dbraw/zinc/97/72/72/347977272.db2.gz MFHQCKWUOXOBGG-CJNGLKHVSA-N 0 3 257.381 3.402 20 30 CGEDHN Cc1cc(C)nc(N[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602575245 347986002 /nfs/dbraw/zinc/98/60/02/347986002.db2.gz PUAJVFJHFMGXKK-AWEZNQCLSA-N 0 3 273.380 3.209 20 30 CGEDHN C[C@@H](CCC#N)CNCc1nc2cc(Cl)ccc2n1C ZINC000602623287 347996222 /nfs/dbraw/zinc/99/62/22/347996222.db2.gz NQPFKMNHJJMOPK-NSHDSACASA-N 0 3 290.798 3.256 20 30 CGEDHN C[C@H](CCC#N)CN(CCN(C)C)Cc1ccccc1F ZINC000602659812 348003679 /nfs/dbraw/zinc/00/36/79/348003679.db2.gz SMVBMLIMWSEMKK-OAHLLOKOSA-N 0 3 291.414 3.129 20 30 CGEDHN N#CC1CCC(NCc2cccc(C(F)(F)F)n2)CC1 ZINC000602673271 348005778 /nfs/dbraw/zinc/00/57/78/348005778.db2.gz KWLQSUUHMPIDQO-UHFFFAOYSA-N 0 3 283.297 3.272 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](c3ccccc3)C2)n1 ZINC000602672266 348005838 /nfs/dbraw/zinc/00/58/38/348005838.db2.gz XTDPZMBMWYRHQQ-MRXNPFEDSA-N 0 3 277.371 3.333 20 30 CGEDHN N#Cc1cccc(CNC2(Cc3cccc(Cl)c3)CC2)n1 ZINC000602682735 348008314 /nfs/dbraw/zinc/00/83/14/348008314.db2.gz RLLTWMGTRIILEI-UHFFFAOYSA-N 0 3 297.789 3.472 20 30 CGEDHN N#CCC1(CN(Cc2cccc(O)c2)CC2CC2)CC1 ZINC000602786139 348029055 /nfs/dbraw/zinc/02/90/55/348029055.db2.gz NJMJPGAZHJWXEU-UHFFFAOYSA-N 0 3 270.376 3.298 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000602709379 348014046 /nfs/dbraw/zinc/01/40/46/348014046.db2.gz SOHFINYTLDMDAS-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN CC[C@H](C)[C@@H](CNCC1(C#N)CCCCC1)OC ZINC000602717825 348016590 /nfs/dbraw/zinc/01/65/90/348016590.db2.gz DIXHOPLMNIOWNQ-UONOGXRCSA-N 0 3 252.402 3.111 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](C3CCC3)CC2)n1 ZINC000602743741 348022905 /nfs/dbraw/zinc/02/29/05/348022905.db2.gz ZYPKSARDPZXSLU-HNNXBMFYSA-N 0 3 269.392 3.355 20 30 CGEDHN N#CCC1(CN2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC000602821978 348033979 /nfs/dbraw/zinc/03/39/79/348033979.db2.gz QEEBNYDWUKMEGW-UHFFFAOYSA-N 0 3 298.434 3.093 20 30 CGEDHN C[C@@H](CN(CC1(CC#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000602831480 348034713 /nfs/dbraw/zinc/03/47/13/348034713.db2.gz XVDUSDZOGNQJMD-HOTGVXAUSA-N 0 3 286.419 3.167 20 30 CGEDHN N#CCCC[C@H](NCc1cc[nH]c(=O)c1)c1ccccc1 ZINC000602839533 348035504 /nfs/dbraw/zinc/03/55/04/348035504.db2.gz KHEUHDDIMLJZMA-INIZCTEOSA-N 0 3 281.359 3.312 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886094 348041068 /nfs/dbraw/zinc/04/10/68/348041068.db2.gz GNTVMZRLGFKZDO-ZFWWWQNUSA-N 0 3 280.375 3.111 20 30 CGEDHN CC(C)(C#N)CCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906980 348042731 /nfs/dbraw/zinc/04/27/31/348042731.db2.gz JRZVFEKTHNUDOX-UHFFFAOYSA-N 0 3 282.391 3.073 20 30 CGEDHN C[C@H](CCC#N)N1CCC(Oc2ccccc2F)CC1 ZINC000602949234 348046912 /nfs/dbraw/zinc/04/69/12/348046912.db2.gz VZPFYKCMDWTGDN-CYBMUJFWSA-N 0 3 276.355 3.361 20 30 CGEDHN C[C@@H]1Cc2ccccc2N1C1CCN(CCCC#N)CC1 ZINC000604483287 348121464 /nfs/dbraw/zinc/12/14/64/348121464.db2.gz LDKRNOCHTFMQMP-OAHLLOKOSA-N 0 3 283.419 3.206 20 30 CGEDHN C=CCNC(=O)CN1CCCCC[C@H]1c1cccc(C)c1 ZINC000605156971 348149563 /nfs/dbraw/zinc/14/95/63/348149563.db2.gz AXTUHIMHHQADFA-KRWDZBQOSA-N 0 3 286.419 3.214 20 30 CGEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000609620041 348348819 /nfs/dbraw/zinc/34/88/19/348348819.db2.gz KMTPEDANTVOALG-DYVFJYSZSA-N 0 3 294.354 3.060 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000609847957 348354023 /nfs/dbraw/zinc/35/40/23/348354023.db2.gz PWDKSVLURZWKKZ-KBMXLJTQSA-N 0 3 270.376 3.064 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991952 348414115 /nfs/dbraw/zinc/41/41/15/348414115.db2.gz XGZNBDWJNXNYOJ-UHFFFAOYSA-N 0 3 277.371 3.184 20 30 CGEDHN CCCCC[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994157 348415963 /nfs/dbraw/zinc/41/59/63/348415963.db2.gz ORZVRHHEWNUNDZ-INIZCTEOSA-N 0 3 257.381 3.498 20 30 CGEDHN CCCCC[C@@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994160 348416277 /nfs/dbraw/zinc/41/62/77/348416277.db2.gz ORZVRHHEWNUNDZ-MRXNPFEDSA-N 0 3 257.381 3.498 20 30 CGEDHN C[C@H](N[C@@H](C)c1cccc(CO)c1)c1cccc(C#N)c1 ZINC000611164889 348425833 /nfs/dbraw/zinc/42/58/33/348425833.db2.gz QLSAVNWRHOFPIS-KBPBESRZSA-N 0 3 280.371 3.462 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@H](c1ccco1)N1CCCC1 ZINC000611399089 348446985 /nfs/dbraw/zinc/44/69/85/348446985.db2.gz LKVVZKMBYGGVGR-OAHLLOKOSA-N 0 3 296.374 3.104 20 30 CGEDHN CCCN(CCc1cccs1)Cc1ccnc(C#N)c1 ZINC000613385782 348595449 /nfs/dbraw/zinc/59/54/49/348595449.db2.gz KPCKWXUTDJJYDT-UHFFFAOYSA-N 0 3 285.416 3.469 20 30 CGEDHN CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)C(C)(C)C1 ZINC000614176801 348655548 /nfs/dbraw/zinc/65/55/48/348655548.db2.gz JGRNYBIEHZLHKW-UHFFFAOYSA-N 0 3 285.435 3.014 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000614179718 348656263 /nfs/dbraw/zinc/65/62/63/348656263.db2.gz KVIBZPUFPVVBNC-GOSISDBHSA-N 0 3 294.398 3.311 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000273458308 192159328 /nfs/dbraw/zinc/15/93/28/192159328.db2.gz PZQYIFGCLPUYCH-PSASIEDQSA-N 0 3 289.206 3.163 20 30 CGEDHN CC[C@@]1(NCc2cccc(OCCCC#N)c2)CCOC1 ZINC000616487699 348825116 /nfs/dbraw/zinc/82/51/16/348825116.db2.gz GEYYHFOOEWAHFZ-QGZVFWFLSA-N 0 3 288.391 3.028 20 30 CGEDHN Cc1ccsc1CCNCc1ccc(C#N)cc1F ZINC000358520486 233149495 /nfs/dbraw/zinc/14/94/95/233149495.db2.gz VEAGNXVYAHIJNO-UHFFFAOYSA-N 0 3 274.364 3.400 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000617783738 349012297 /nfs/dbraw/zinc/01/22/97/349012297.db2.gz GCHBSLFZMXVFHZ-JKSUJKDBSA-N 0 3 278.440 3.066 20 30 CGEDHN C[C@H](NCCN1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358571628 233156502 /nfs/dbraw/zinc/15/65/02/233156502.db2.gz OWECOJXHNNMJBZ-KBPBESRZSA-N 0 3 289.398 3.080 20 30 CGEDHN C[C@H](NCCN1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571168 233157388 /nfs/dbraw/zinc/15/73/88/233157388.db2.gz OMVWELWHOIWIEW-KBPBESRZSA-N 0 3 289.398 3.222 20 30 CGEDHN CN(CCCC1(C#N)CCOCC1)Cc1ccsc1 ZINC000619620017 349263224 /nfs/dbraw/zinc/26/32/24/349263224.db2.gz KUNCBGZGGNFEPU-UHFFFAOYSA-N 0 3 278.421 3.280 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000619672775 349268901 /nfs/dbraw/zinc/26/89/01/349268901.db2.gz ZCKHPFPJLWQDJR-QRQLOZEOSA-N 0 3 297.446 3.495 20 30 CGEDHN C[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1nc(-c2ccccc2)no1 ZINC000619673370 349269576 /nfs/dbraw/zinc/26/95/76/349269576.db2.gz KIYQKNYCMUNHTN-UMVBOHGHSA-N 0 3 296.374 3.122 20 30 CGEDHN CCC[C@H](C)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619720751 349278600 /nfs/dbraw/zinc/27/86/00/349278600.db2.gz TXHFYCLMUJMUPY-YOEHRIQHSA-N 0 3 289.398 3.197 20 30 CGEDHN CC/C=C\CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000619722803 349279096 /nfs/dbraw/zinc/27/90/96/349279096.db2.gz CMYOVKDBNJOTPB-ARJAWSKDSA-N 0 3 269.392 3.295 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000620312953 349355457 /nfs/dbraw/zinc/35/54/57/349355457.db2.gz RUTMQQMTWXHANF-BBWFWOEESA-N 0 3 290.451 3.207 20 30 CGEDHN CCOC[C@@H](NCC#Cc1ccccc1Cl)C(C)C ZINC000625414323 350168581 /nfs/dbraw/zinc/16/85/81/350168581.db2.gz RQCFUABWTNNYEA-MRXNPFEDSA-N 0 3 279.811 3.342 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000625699519 350197703 /nfs/dbraw/zinc/19/77/03/350197703.db2.gz ADZQEYRWCMJLQG-HNNXBMFYSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000625703240 350199827 /nfs/dbraw/zinc/19/98/27/350199827.db2.gz ZJKAOWPNJOKDPX-GFCCVEGCSA-N 0 3 277.339 3.090 20 30 CGEDHN N#CCCCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800574 350215578 /nfs/dbraw/zinc/21/55/78/350215578.db2.gz XTMTZECQUHHDAE-GOSISDBHSA-N 0 3 298.386 3.180 20 30 CGEDHN CC1(C)CCC[C@@](CO)(NCC#Cc2ccc(F)cc2)C1 ZINC000625830989 350216829 /nfs/dbraw/zinc/21/68/29/350216829.db2.gz BWDHNXGXLXMLJD-GOSISDBHSA-N 0 3 289.394 3.098 20 30 CGEDHN C=CCC1(NCc2cn(CC3CC3)nn2)CCCCC1 ZINC000625934391 350233526 /nfs/dbraw/zinc/23/35/26/350233526.db2.gz LYTUMXLXIFYSLJ-UHFFFAOYSA-N 0 3 274.412 3.057 20 30 CGEDHN C=C(C)CCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626075881 350256953 /nfs/dbraw/zinc/25/69/53/350256953.db2.gz XOXBPTUSEHJHLO-UHFFFAOYSA-N 0 3 283.419 3.252 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1cc(C)ccc1C ZINC000626019406 350249352 /nfs/dbraw/zinc/24/93/52/350249352.db2.gz XYRHKPLLTPWQMX-ZBFHGGJFSA-N 0 3 274.408 3.035 20 30 CGEDHN Cn1cc(CNC[C@@H]2SCCc3ccccc32)cc1C#N ZINC000359746077 233371692 /nfs/dbraw/zinc/37/16/92/233371692.db2.gz HEBSRRITFJGVQI-KRWDZBQOSA-N 0 3 297.427 3.017 20 30 CGEDHN CC#CCCN1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626126750 350267183 /nfs/dbraw/zinc/26/71/83/350267183.db2.gz WJDTYVGJJCGHCG-CQSZACIVSA-N 0 3 261.340 3.037 20 30 CGEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1snc(Cl)c1C#N ZINC000271354506 191092401 /nfs/dbraw/zinc/09/24/01/191092401.db2.gz TZLGPOAGFCGWLP-UWVGGRQHSA-N 0 3 298.843 3.200 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cnc(C)o1 ZINC000628312369 350494017 /nfs/dbraw/zinc/49/40/17/350494017.db2.gz ZCNGVODZAKBIBX-OAHLLOKOSA-N 0 3 256.349 3.260 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(F)c(OC)cc2OC)C1 ZINC000628406246 350529517 /nfs/dbraw/zinc/52/95/17/350529517.db2.gz FPKRDCIDGULTMN-GFCCVEGCSA-N 0 3 279.355 3.241 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000628406196 350529803 /nfs/dbraw/zinc/52/98/03/350529803.db2.gz DOCGEPCPHLBPMZ-HNNXBMFYSA-N 0 3 299.393 3.469 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC000630945109 350913496 /nfs/dbraw/zinc/91/34/96/350913496.db2.gz ZIZCXRVMEHEBPR-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000631264135 351011608 /nfs/dbraw/zinc/01/16/08/351011608.db2.gz ZJGMMFVFMLAVHP-CHWSQXEVSA-N 0 3 271.282 3.292 20 30 CGEDHN Cc1nc(CCNCc2ccc(C#N)s2)sc1C ZINC000122731080 187048224 /nfs/dbraw/zinc/04/82/24/187048224.db2.gz PREULZMZJUYPAO-UHFFFAOYSA-N 0 3 277.418 3.025 20 30 CGEDHN CC#CCCN(C)Cc1ccc(OC(F)F)cc1 ZINC000155024097 188177616 /nfs/dbraw/zinc/17/76/16/188177616.db2.gz CJTDLOSZKBOJHR-UHFFFAOYSA-N 0 3 253.292 3.133 20 30 CGEDHN N#Cc1ccc(CN2CCC(Cc3cccnc3)CC2)cc1 ZINC000374483529 234690276 /nfs/dbraw/zinc/69/02/76/234690276.db2.gz WHTIOOXQGGOMDH-UHFFFAOYSA-N 0 3 291.398 3.408 20 30 CGEDHN C[C@H](NC[C@@](C)(O)c1cccs1)c1ccc(C#N)cc1 ZINC000271820692 191346410 /nfs/dbraw/zinc/34/64/10/191346410.db2.gz CGPOMHGONOEQHH-BLLLJJGKSA-N 0 3 286.400 3.178 20 30 CGEDHN C[C@H](N[C@H]1CCCc2cn[nH]c21)c1cccc(C#N)c1 ZINC000271885166 191390315 /nfs/dbraw/zinc/39/03/15/191390315.db2.gz QMJZLSYTEUJDRN-NHYWBVRUSA-N 0 3 266.348 3.010 20 30 CGEDHN Cc1ccc([C@H](CNc2ncc(C#N)cc2F)N(C)C)cc1 ZINC000413082732 235249408 /nfs/dbraw/zinc/24/94/08/235249408.db2.gz HQHQIPYAEVNONZ-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN CO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C12CCC2 ZINC000414169114 235351981 /nfs/dbraw/zinc/35/19/81/235351981.db2.gz AYAPUILQPRZOBG-HFBAOOFYSA-N 0 3 288.366 3.306 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3ccccc3OC2)cc1F ZINC000374622924 283148673 /nfs/dbraw/zinc/14/86/73/283148673.db2.gz USRFNXBTTLRQRC-INIZCTEOSA-N 0 3 296.345 3.181 20 30 CGEDHN N#Cc1cccc(CNCc2c[nH]nc2-c2ccsc2)c1 ZINC000436251824 237054398 /nfs/dbraw/zinc/05/43/98/237054398.db2.gz JLERCHGJQAPDLL-UHFFFAOYSA-N 0 3 294.383 3.300 20 30 CGEDHN C[C@H](CN[C@@H](C)c1cccc(C#N)c1)C(F)(F)F ZINC000341780029 216101221 /nfs/dbraw/zinc/10/12/21/216101221.db2.gz QRWJOHNRXBZIHR-ZJUUUORDSA-N 0 3 256.271 3.407 20 30 CGEDHN CCO[C@H](CCNCc1ccc(C#N)o1)C1CCCC1 ZINC000177583745 189058322 /nfs/dbraw/zinc/05/83/22/189058322.db2.gz YCGSRCCWENRJGZ-MRXNPFEDSA-N 0 3 276.380 3.226 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1ccc(F)cc1F ZINC000179632761 189209013 /nfs/dbraw/zinc/20/90/13/189209013.db2.gz DKPXUDWDCNCCAE-DOMZBBRYSA-N 0 3 269.335 3.333 20 30 CGEDHN N#Cc1ccncc1NCCN1CCC2(CCCCC2)CC1 ZINC000440647173 238333759 /nfs/dbraw/zinc/33/37/59/238333759.db2.gz AYBZSWWVRANNDY-UHFFFAOYSA-N 0 3 298.434 3.411 20 30 CGEDHN C[C@@H](NC[C@H](O)c1ccsc1)c1ccc(C#N)cc1 ZINC000181785908 189306428 /nfs/dbraw/zinc/30/64/28/189306428.db2.gz PPAPABNGBMLNAL-ABAIWWIYSA-N 0 3 272.373 3.004 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)cc1F ZINC000119396196 370672340 /nfs/dbraw/zinc/67/23/40/370672340.db2.gz FGNBDNIWWIJSTD-ZDUSSCGKSA-N 0 3 298.361 3.466 20 30 CGEDHN C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000119642171 370694894 /nfs/dbraw/zinc/69/48/94/370694894.db2.gz AEMXNNLRKJRIDV-AAEUAGOBSA-N 0 3 276.355 3.306 20 30 CGEDHN COc1ccc(C#N)cc1CN[C@H]1CC(C)(C)OC1(C)C ZINC000119689652 370698139 /nfs/dbraw/zinc/69/81/39/370698139.db2.gz IIKNKIPMPATAFU-HNNXBMFYSA-N 0 3 288.391 3.003 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)c(C)c1)Cc1ccccc1 ZINC000449394775 239378937 /nfs/dbraw/zinc/37/89/37/239378937.db2.gz RMKKMKWOLBPBHP-IBGZPJMESA-N 0 3 294.398 3.214 20 30 CGEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)CCC(C)(C)C#N ZINC000119999427 370730025 /nfs/dbraw/zinc/73/00/25/370730025.db2.gz KBWICVHXMGKLNA-CJNGLKHVSA-N 0 3 272.392 3.250 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000120666729 370789647 /nfs/dbraw/zinc/78/96/47/370789647.db2.gz XEPIMVTVGZXSGL-SFHVURJKSA-N 0 3 287.403 3.418 20 30 CGEDHN C=C[C@H](CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000124206452 370921652 /nfs/dbraw/zinc/92/16/52/370921652.db2.gz GWUADPXWYUGVJE-ZMSDIMECSA-N 0 3 298.430 3.088 20 30 CGEDHN CCCCN(CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000019846843 368772905 /nfs/dbraw/zinc/77/29/05/368772905.db2.gz FFOMXGPQUTXASR-CYBMUJFWSA-N 0 3 273.380 3.007 20 30 CGEDHN CN(CCC(=O)Nc1ccccc1)Cc1cccc(C#N)c1 ZINC000026328992 368856605 /nfs/dbraw/zinc/85/66/05/368856605.db2.gz PYRCWSNKIDMRRN-UHFFFAOYSA-N 0 3 293.370 3.019 20 30 CGEDHN CC[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000036169527 369013245 /nfs/dbraw/zinc/01/32/45/369013245.db2.gz VRDQSGOXOJFNHY-CQSZACIVSA-N 0 3 258.365 3.059 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccs1)C(C)C ZINC000046049341 369288225 /nfs/dbraw/zinc/28/82/25/369288225.db2.gz SHKKTDPJAUBEDU-AWEZNQCLSA-N 0 3 292.448 3.177 20 30 CGEDHN C#CCOc1ccccc1CNCCCOC1CCCC1 ZINC000057972819 369551113 /nfs/dbraw/zinc/55/11/13/369551113.db2.gz DNAXVFQZGKNBBB-UHFFFAOYSA-N 0 3 287.403 3.138 20 30 CGEDHN N#Cc1ccc(CNCCc2cc(F)cc(F)c2)c(F)c1 ZINC000060718658 369591736 /nfs/dbraw/zinc/59/17/36/369591736.db2.gz FPXZCDJCCFBCRM-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN N#Cc1ccc(N2CCN(C3CCCC3)CC2)cc1Cl ZINC000061851219 369608203 /nfs/dbraw/zinc/60/82/03/369608203.db2.gz UMHRDZVNBLBNRH-UHFFFAOYSA-N 0 3 289.810 3.276 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000062016462 369614813 /nfs/dbraw/zinc/61/48/13/369614813.db2.gz CJXJQBLKQSPISD-VHSXEESVSA-N 0 3 250.729 3.019 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](OCC(C)C)C1 ZINC000537724492 376197654 /nfs/dbraw/zinc/19/76/54/376197654.db2.gz CXPHJJWHWBLBAT-QGZVFWFLSA-N 0 3 289.419 3.498 20 30 CGEDHN CCN(CC)c1ccc(CNCc2ccc(C#N)cc2)cn1 ZINC000069785705 369772064 /nfs/dbraw/zinc/77/20/64/369772064.db2.gz MVUXWBVZIOSVPP-UHFFFAOYSA-N 0 3 294.402 3.089 20 30 CGEDHN CN(C)c1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000075596232 369913727 /nfs/dbraw/zinc/91/37/27/369913727.db2.gz SFASQTVSVASWNM-UHFFFAOYSA-N 0 3 279.387 3.256 20 30 CGEDHN C=CCCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000076388175 369936920 /nfs/dbraw/zinc/93/69/20/369936920.db2.gz HPICNQZGBIRCCD-MRXNPFEDSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090883586 370070125 /nfs/dbraw/zinc/07/01/25/370070125.db2.gz KKEKGRNCRSSYBD-ZDUSSCGKSA-N 0 3 278.352 3.147 20 30 CGEDHN C=CC1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000093359340 370119123 /nfs/dbraw/zinc/11/91/23/370119123.db2.gz ZPILTHRPMBAPNA-UHFFFAOYSA-N 0 3 297.402 3.483 20 30 CGEDHN CC(C)(C)CN(CCC#N)CCCCCn1cccn1 ZINC000109813685 370365907 /nfs/dbraw/zinc/36/59/07/370365907.db2.gz PQVMSJYWKFXGER-UHFFFAOYSA-N 0 3 276.428 3.315 20 30 CGEDHN C[C@H](C/N=C/c1ccccc1O)N(C)Cc1ccccc1 ZINC000110129361 370370534 /nfs/dbraw/zinc/37/05/34/370370534.db2.gz DATLVQBXYDYWPK-DQPIFXJKSA-N 0 3 282.387 3.332 20 30 CGEDHN C[C@H](NCCc1ccccc1O)c1ccc(C#N)cc1F ZINC000512610426 245042823 /nfs/dbraw/zinc/04/28/23/245042823.db2.gz BASOIKWJKKDSSG-LBPRGKRZSA-N 0 3 284.334 3.296 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C3CC3)C2)c(F)c1 ZINC000344000193 217009595 /nfs/dbraw/zinc/00/95/95/217009595.db2.gz XAZQZDPCSQDDAT-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCN(CCCCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000117875123 370601397 /nfs/dbraw/zinc/60/13/97/370601397.db2.gz CDVFWMOKGXMMSJ-UHFFFAOYSA-N 0 3 278.352 3.009 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H]2CCOC2)cc1Cl ZINC000132026194 371146204 /nfs/dbraw/zinc/14/62/04/371146204.db2.gz IUJBDFOBQKRDDT-ZDUSSCGKSA-N 0 3 281.783 3.126 20 30 CGEDHN N#Cc1ccc(OCCNCc2cnc(C3CC3)s2)cc1 ZINC000134366204 371326721 /nfs/dbraw/zinc/32/67/21/371326721.db2.gz HVSQMCNXFFRIKL-UHFFFAOYSA-N 0 3 299.399 3.061 20 30 CGEDHN C[C@H](c1cccs1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000219961757 376206011 /nfs/dbraw/zinc/20/60/11/376206011.db2.gz LBUMSCOSIUMFRE-IUODEOHRSA-N 0 3 286.400 3.346 20 30 CGEDHN N#Cc1ccc(CNCCSc2ccccc2)o1 ZINC000135132960 371393066 /nfs/dbraw/zinc/39/30/66/371393066.db2.gz ZXYQKTHVMQGOMI-UHFFFAOYSA-N 0 3 258.346 3.033 20 30 CGEDHN COc1cccc2c1CC[C@H]2NCc1cc(C#N)cs1 ZINC000151890938 371648462 /nfs/dbraw/zinc/64/84/62/371648462.db2.gz XLRJMWNCTANGGP-OAHLLOKOSA-N 0 3 284.384 3.405 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ccccc1)CC2 ZINC000353349735 220038671 /nfs/dbraw/zinc/03/86/71/220038671.db2.gz OVGUTKJLVSVDOS-GOSISDBHSA-N 0 3 278.355 3.214 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000290009809 371878130 /nfs/dbraw/zinc/87/81/30/371878130.db2.gz ZRCOSDFFHGOSGL-ONGXEEELSA-N 0 3 273.348 3.199 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2F)sc1C ZINC000155648926 371937073 /nfs/dbraw/zinc/93/70/73/371937073.db2.gz UEUXTESVXVPONH-JTQLQIEISA-N 0 3 289.335 3.145 20 30 CGEDHN N#Cc1ncccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000290455103 371993500 /nfs/dbraw/zinc/99/35/00/371993500.db2.gz DSPAYVOAJJQODW-HNNXBMFYSA-N 0 3 298.415 3.264 20 30 CGEDHN C=CCc1cc(CN2CCC[C@H](C)C2)cc(OC)c1O ZINC000157684163 372033004 /nfs/dbraw/zinc/03/30/04/372033004.db2.gz YOGBQJCKJNIWDI-ZDUSSCGKSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(N(C)CCC#N)cc1 ZINC000158136740 372056130 /nfs/dbraw/zinc/05/61/30/372056130.db2.gz MOSKASHVXARWOI-UHFFFAOYSA-N 0 3 269.392 3.210 20 30 CGEDHN C=CCN1CCC(Oc2ccccc2Cl)CC1 ZINC000157297041 372013305 /nfs/dbraw/zinc/01/33/05/372013305.db2.gz GBQIQZROKBMVPC-UHFFFAOYSA-N 0 3 251.757 3.369 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000157285414 372014103 /nfs/dbraw/zinc/01/41/03/372014103.db2.gz IBLKXOAYUXETCT-WBVHZDCISA-N 0 3 289.806 3.192 20 30 CGEDHN C#Cc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000290934825 372077673 /nfs/dbraw/zinc/07/76/73/372077673.db2.gz PFXGBGIRJYJTGI-QZTJIDSGSA-N 0 3 281.399 3.201 20 30 CGEDHN C=CCN1CC[C@H](N2CC(C)(C)C[C@@H]2c2ccccc2)C1=O ZINC000425545253 372132424 /nfs/dbraw/zinc/13/24/24/372132424.db2.gz RUDWEPAHQUUJTN-DLBZAZTESA-N 0 3 298.430 3.247 20 30 CGEDHN CC1(C)[C@@H]2CN(CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC000426451070 372159906 /nfs/dbraw/zinc/15/99/06/372159906.db2.gz PHJOTEAWCMYMGM-GASCZTMLSA-N 0 3 259.780 3.279 20 30 CGEDHN CN(CCN1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000428455568 372207521 /nfs/dbraw/zinc/20/75/21/372207521.db2.gz JRHORJYVHCFCFO-UHFFFAOYSA-N 0 3 291.398 3.053 20 30 CGEDHN C=C(C)[C@@H](NC[C@@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC000293000947 372274616 /nfs/dbraw/zinc/27/46/16/372274616.db2.gz SULWMBRKCAGTPY-HUUCEWRRSA-N 0 3 269.335 3.189 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000429284502 372337968 /nfs/dbraw/zinc/33/79/68/372337968.db2.gz MBNIRJLGVBKXFK-OAHLLOKOSA-N 0 3 274.433 3.442 20 30 CGEDHN CC(C)CCN(CCC#N)CCN(C)Cc1ccccc1 ZINC000429689923 372375804 /nfs/dbraw/zinc/37/58/04/372375804.db2.gz HFPDLFITEHUDRZ-UHFFFAOYSA-N 0 3 287.451 3.380 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ncc(-c2ccccc2)o1 ZINC000429728358 372377507 /nfs/dbraw/zinc/37/75/07/372377507.db2.gz FQHRNIJDHOXYET-UHFFFAOYSA-N 0 3 299.418 3.281 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cccc(OC(C)C)c1 ZINC000429704625 372377523 /nfs/dbraw/zinc/37/75/23/372377523.db2.gz ATTLLXYVBCCQNF-UHFFFAOYSA-N 0 3 290.451 3.414 20 30 CGEDHN COc1ccc([C@H](C)NCC2(CC#N)CC2)c(OC)c1 ZINC000430738916 372393901 /nfs/dbraw/zinc/39/39/01/372393901.db2.gz GYXZSSZNERTZCG-LBPRGKRZSA-N 0 3 274.364 3.048 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)Cc1ccccc1 ZINC000293489919 372394194 /nfs/dbraw/zinc/39/41/94/372394194.db2.gz YVNHUFKCROSDRU-HNAYVOBHSA-N 0 3 294.398 3.155 20 30 CGEDHN C=CCOCCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000293501065 372395952 /nfs/dbraw/zinc/39/59/52/372395952.db2.gz NQJSOSMMZZWHGF-LLVKDONJSA-N 0 3 255.308 3.160 20 30 CGEDHN C#Cc1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000293534065 372404987 /nfs/dbraw/zinc/40/49/87/372404987.db2.gz CEDASXWHWAPHFZ-GOSISDBHSA-N 0 3 281.399 3.059 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000293772847 372476637 /nfs/dbraw/zinc/47/66/37/372476637.db2.gz SHZJRKDWRAMFFI-CQSZACIVSA-N 0 3 270.380 3.086 20 30 CGEDHN C=CCOCCN1CCC[C@H]1c1ccc(OC)cc1 ZINC000293645167 372435054 /nfs/dbraw/zinc/43/50/54/372435054.db2.gz XRUKAFZBVHYDED-INIZCTEOSA-N 0 3 261.365 3.035 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432941665 372576856 /nfs/dbraw/zinc/57/68/56/372576856.db2.gz XAOSKTIWLZSGQZ-LLVKDONJSA-N 0 3 265.353 3.334 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000433119615 372581345 /nfs/dbraw/zinc/58/13/45/372581345.db2.gz GWWGWQMPXIPFKV-INIZCTEOSA-N 0 3 296.345 3.214 20 30 CGEDHN CCCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433122530 372581596 /nfs/dbraw/zinc/58/15/96/372581596.db2.gz QZUZNRCOOGMEKR-HNNXBMFYSA-N 0 3 258.365 3.065 20 30 CGEDHN C=C[C@@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433286291 372586256 /nfs/dbraw/zinc/58/62/56/372586256.db2.gz JFWPONDIRQSFFB-QMTHXVAHSA-N 0 3 260.337 3.481 20 30 CGEDHN C=CC[C@H](C)NCc1cc(Cl)cc2c1OCC2 ZINC000167392169 372593962 /nfs/dbraw/zinc/59/39/62/372593962.db2.gz IPKWSPYJNJYGNU-JTQLQIEISA-N 0 3 251.757 3.329 20 30 CGEDHN C=CCN1CCC(NC(=O)c2oc3ccccc3c2C)CC1 ZINC000171723145 372816667 /nfs/dbraw/zinc/81/66/67/372816667.db2.gz QOMPWCICVDEXPD-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN C=CCCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000172178102 372920976 /nfs/dbraw/zinc/92/09/76/372920976.db2.gz VNDNITFOADIHAB-UHFFFAOYSA-N 0 3 264.325 3.001 20 30 CGEDHN CC[C@@H](C)N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000295962306 372975114 /nfs/dbraw/zinc/97/51/14/372975114.db2.gz HWAXQUFZGHMGIF-OAHLLOKOSA-N 0 3 290.838 3.108 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000439448037 372976369 /nfs/dbraw/zinc/97/63/69/372976369.db2.gz ZGNGBVUNSQOKKG-HIFRSBDPSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000439448037 372976377 /nfs/dbraw/zinc/97/63/77/372976377.db2.gz ZGNGBVUNSQOKKG-HIFRSBDPSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCC[C@H](O)CN1CCc2cc(OCCC)ccc2C1 ZINC000441086436 372998592 /nfs/dbraw/zinc/99/85/92/372998592.db2.gz NYIPDYIDMFEPGP-KRWDZBQOSA-N 0 3 289.419 3.161 20 30 CGEDHN C=C(C)CN(CC)CCOc1ccccc1OCC ZINC000441192238 373001222 /nfs/dbraw/zinc/00/12/22/373001222.db2.gz WYXHCHBHAKLKHU-UHFFFAOYSA-N 0 3 263.381 3.362 20 30 CGEDHN CC(F)(F)CCCNCc1ccc(C#N)cc1F ZINC000296207421 373053442 /nfs/dbraw/zinc/05/34/42/373053442.db2.gz ZMGNQGMTVUEXLL-UHFFFAOYSA-N 0 3 256.271 3.222 20 30 CGEDHN Cc1nccn1-c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1F ZINC000442794826 373086157 /nfs/dbraw/zinc/08/61/57/373086157.db2.gz QKHKPGFQNUYSLN-HIFRSBDPSA-N 0 3 298.365 3.102 20 30 CGEDHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000442799940 373088631 /nfs/dbraw/zinc/08/86/31/373088631.db2.gz JFORUNJUVNTCBO-UVBJJODRSA-N 0 3 276.355 3.306 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)C(C)(C)C ZINC000173211390 373109595 /nfs/dbraw/zinc/10/95/95/373109595.db2.gz MWLCLAPZVOLRDT-DOMZBBRYSA-N 0 3 260.381 3.270 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1 ZINC000296602344 373191364 /nfs/dbraw/zinc/19/13/64/373191364.db2.gz VRRRSASXLSWXQY-HNNXBMFYSA-N 0 3 295.382 3.042 20 30 CGEDHN Cc1ncsc1CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000296605401 373193378 /nfs/dbraw/zinc/19/33/78/373193378.db2.gz VWOQRZOSWZMHRQ-SNVBAGLBSA-N 0 3 289.379 3.356 20 30 CGEDHN C=CC[C@H]1N(CC(=O)N2CCCCC2)CCCC1(C)C ZINC000444781130 373272800 /nfs/dbraw/zinc/27/28/00/373272800.db2.gz GPNPVXFJJKAUOF-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN Cc1noc(C)c1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000174066776 373243188 /nfs/dbraw/zinc/24/31/88/373243188.db2.gz JUURUTOCMHKJTQ-NSHDSACASA-N 0 3 269.348 3.056 20 30 CGEDHN CCC[C@]1(CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000444766765 373264445 /nfs/dbraw/zinc/26/44/45/373264445.db2.gz PDPYFXPTGKLCNA-QGZVFWFLSA-N 0 3 291.822 3.319 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCN(c3cccc(F)c3)C2)o1 ZINC000174403004 373307852 /nfs/dbraw/zinc/30/78/52/373307852.db2.gz DUTZJMJHFDVZIU-AWEZNQCLSA-N 0 3 299.349 3.049 20 30 CGEDHN CC(C)(C)Oc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000447586459 373456433 /nfs/dbraw/zinc/45/64/33/373456433.db2.gz MMDKCPARWGMPNS-ZIAGYGMSSA-N 0 3 287.407 3.431 20 30 CGEDHN COc1ccc(C2(N[C@@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000447585387 373457190 /nfs/dbraw/zinc/45/71/90/373457190.db2.gz JXHDKWZTHTZQBV-UKRRQHHQSA-N 0 3 270.376 3.356 20 30 CGEDHN CCC[C@]1(COC)CCCN1CC#Cc1ccccc1 ZINC000447395492 373432929 /nfs/dbraw/zinc/43/29/29/373432929.db2.gz SPSRSCNNRNANHD-GOSISDBHSA-N 0 3 271.404 3.319 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000447976893 373534106 /nfs/dbraw/zinc/53/41/06/373534106.db2.gz MDAGCQFSMMFMAR-HNNXBMFYSA-N 0 3 280.456 3.454 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000448774707 373640263 /nfs/dbraw/zinc/64/02/63/373640263.db2.gz MGBPMUCPALFZFW-HOCLYGCPSA-N 0 3 286.419 3.150 20 30 CGEDHN N#Cc1ccc(NCCN2CCc3ccccc3C2)cc1 ZINC000301067185 373645825 /nfs/dbraw/zinc/64/58/25/373645825.db2.gz DORWKHSTDUZEED-UHFFFAOYSA-N 0 3 277.371 3.028 20 30 CGEDHN COc1cc(CN2CC[C@@H](C)[C@H](C)C2)ccc1C#N ZINC000300115483 373619489 /nfs/dbraw/zinc/61/94/89/373619489.db2.gz IEVXEAVPAIHJHO-CHWSQXEVSA-N 0 3 258.365 3.045 20 30 CGEDHN C=CCN(CCOC)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449283107 373676222 /nfs/dbraw/zinc/67/62/22/373676222.db2.gz JZGXCIMTXNXQBM-LBPRGKRZSA-N 0 3 269.335 3.203 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H](c1nncn1C)C(C)C ZINC000449314597 373678621 /nfs/dbraw/zinc/67/86/21/373678621.db2.gz DKQCYQKMCPMCQP-UONOGXRCSA-N 0 3 264.417 3.237 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@](C)(COC)C1 ZINC000449389062 373686370 /nfs/dbraw/zinc/68/63/70/373686370.db2.gz BVDNGWWDOXPHAM-KRWDZBQOSA-N 0 3 275.392 3.110 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177561139 373691392 /nfs/dbraw/zinc/69/13/92/373691392.db2.gz ZCBIYQZQTJDXFY-BMFZPTHFSA-N 0 3 297.402 3.007 20 30 CGEDHN C=CCC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000178689317 373804121 /nfs/dbraw/zinc/80/41/21/373804121.db2.gz GXASEYNHXNUSOT-HNNXBMFYSA-N 0 3 290.363 3.438 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C(C)C)s1 ZINC000449546905 373830061 /nfs/dbraw/zinc/83/00/61/373830061.db2.gz FGZMKCLCFZCLGX-OLZOCXBDSA-N 0 3 266.410 3.090 20 30 CGEDHN C=CCC1(NCc2ccc(C(=O)OC)o2)CCCCC1 ZINC000449570340 373834305 /nfs/dbraw/zinc/83/43/05/373834305.db2.gz AWFMWMSUHKDZEZ-UHFFFAOYSA-N 0 3 277.364 3.435 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OCC)[C@H](C)C2)c1 ZINC000449490734 373781190 /nfs/dbraw/zinc/78/11/90/373781190.db2.gz CQKLMKQLVZVBPW-QAPCUYQASA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCN1CCC(Nc2ncnc3c(C)cccc23)CC1 ZINC000301700774 373799138 /nfs/dbraw/zinc/79/91/38/373799138.db2.gz DJTVVDCXDYKDBK-UHFFFAOYSA-N 0 3 282.391 3.001 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@H]1CCC[C@H](C)C1 ZINC000449770235 373898981 /nfs/dbraw/zinc/89/89/81/373898981.db2.gz WGFQIMSNUNLTRQ-SRVKXCTJSA-N 0 3 263.410 3.319 20 30 CGEDHN CC(=O)Nc1ccccc1CN1CCC(CCC#N)CC1 ZINC000574452563 335020984 /nfs/dbraw/zinc/02/09/84/335020984.db2.gz BZKMTJJIVCNPQN-UHFFFAOYSA-N 0 3 285.391 3.161 20 30 CGEDHN Cc1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)nc1C#N ZINC000302826751 373977010 /nfs/dbraw/zinc/97/70/10/373977010.db2.gz NDYKOPKTCQGJBZ-CRAIPNDOSA-N 0 3 292.386 3.119 20 30 CGEDHN C#CCSCCN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000181100837 374081018 /nfs/dbraw/zinc/08/10/18/374081018.db2.gz WLVJNHLEDAAINK-CYBMUJFWSA-N 0 3 293.432 3.029 20 30 CGEDHN CCC[C@H](CCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305831348 374116755 /nfs/dbraw/zinc/11/67/55/374116755.db2.gz UKBBMQNHEJIEOH-QWHCGFSZSA-N 0 3 278.371 3.147 20 30 CGEDHN N#CC1(CN(C[C@@H]2CCCO2)C2CCCC2)CCC1 ZINC000450437045 374129575 /nfs/dbraw/zinc/12/95/75/374129575.db2.gz KHDIPEHZLPQZJF-HNNXBMFYSA-N 0 3 262.397 3.104 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C(C)(C)C)C1 ZINC000317334268 374340123 /nfs/dbraw/zinc/34/01/23/374340123.db2.gz AHGHHKPZUAFZDX-ZFWWWQNUSA-N 0 3 299.418 3.253 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)OC ZINC000453287347 374391547 /nfs/dbraw/zinc/39/15/47/374391547.db2.gz KWQUJUFPAHAMLY-JCURWCKSSA-N 0 3 272.392 3.196 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cccc(C)c1C ZINC000183717739 374446943 /nfs/dbraw/zinc/44/69/43/374446943.db2.gz MZTZYKPSFQYIMG-MRXNPFEDSA-N 0 3 288.435 3.379 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cccc(C#N)c1 ZINC000185198298 374610943 /nfs/dbraw/zinc/61/09/43/374610943.db2.gz ABJBMBZDSMVZMF-IAGOWNOFSA-N 0 3 272.392 3.242 20 30 CGEDHN C[C@@H](NCc1cc(C#N)cs1)[C@@H](c1ccccc1)N(C)C ZINC000185679319 374711755 /nfs/dbraw/zinc/71/17/55/374711755.db2.gz DNRXUFPELJPYPA-DYVFJYSZSA-N 0 3 299.443 3.401 20 30 CGEDHN C[C@H](NC1CC(C)(F)C1)c1ccc(C#N)c(F)c1 ZINC000334520283 374816745 /nfs/dbraw/zinc/81/67/45/374816745.db2.gz OUTDXIXJSNKOKC-VOALNZTBSA-N 0 3 250.292 3.239 20 30 CGEDHN N#Cc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186448657 374853540 /nfs/dbraw/zinc/85/35/40/374853540.db2.gz XFKDYZWENBPNSF-LJQANCHMSA-N 0 3 290.366 3.190 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000186720310 374906049 /nfs/dbraw/zinc/90/60/49/374906049.db2.gz WGHFDNYBKFNRKC-MWLCHTKSSA-N 0 3 289.297 3.015 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)C(C)(C)c1ccccc1 ZINC000469740859 374991380 /nfs/dbraw/zinc/99/13/80/374991380.db2.gz BVZFOXQBCDPXOI-TZMCWYRMSA-N 0 3 258.365 3.019 20 30 CGEDHN C=CCCOCCNCc1cc2c(ccc(C)c2C)[nH]1 ZINC000472062954 375010137 /nfs/dbraw/zinc/01/01/37/375010137.db2.gz LRLWDQSJAJLOJU-UHFFFAOYSA-N 0 3 272.392 3.467 20 30 CGEDHN C=CCC[C@@H](O)CN(CC)Cc1ccccc1Cl ZINC000472747237 375032150 /nfs/dbraw/zinc/03/21/50/375032150.db2.gz HPGXTBSJSAMSKY-CQSZACIVSA-N 0 3 267.800 3.489 20 30 CGEDHN C=CC[C@H](CO)N[C@@H]1CCSc2cc(C)c(C)cc21 ZINC000187545224 375039220 /nfs/dbraw/zinc/03/92/20/375039220.db2.gz XOGNPSROOCKHJI-UKRRQHHQSA-N 0 3 277.433 3.367 20 30 CGEDHN C=CCC[C@H](O)CN1CCc2c(cccc2C(C)C)C1 ZINC000475386438 375133973 /nfs/dbraw/zinc/13/39/73/375133973.db2.gz HZILSTYWRFUGKG-INIZCTEOSA-N 0 3 273.420 3.495 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(C(=O)OC)ccc1Cl ZINC000482216254 375169849 /nfs/dbraw/zinc/16/98/49/375169849.db2.gz CVMJKPAMLHMSQK-SNVBAGLBSA-N 0 3 267.756 3.181 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)CC#Cc2ccccc2)C1(C)C ZINC000483970494 375184779 /nfs/dbraw/zinc/18/47/79/375184779.db2.gz CGRGXNTZLHQXFH-IRXDYDNUSA-N 0 3 271.404 3.174 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@H](C)C1 ZINC000187946280 375124311 /nfs/dbraw/zinc/12/43/11/375124311.db2.gz OYZDWDZGPDDNKG-KBPBESRZSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CC[C@H](CO)CNCc1cccc(Cl)c1OCC ZINC000487567796 375256135 /nfs/dbraw/zinc/25/61/35/375256135.db2.gz BHGSISOUTOMSGD-LBPRGKRZSA-N 0 3 283.799 3.013 20 30 CGEDHN CN(CC#Cc1ccccc1)CC1(O)CCCCCC1 ZINC000483986933 375185574 /nfs/dbraw/zinc/18/55/74/375185574.db2.gz NUEAKAYTCPULGN-UHFFFAOYSA-N 0 3 271.404 3.055 20 30 CGEDHN COCCN(Cc1cc(C#N)ccc1F)[C@H]1CCC[C@H]1C ZINC000487998208 375294337 /nfs/dbraw/zinc/29/43/37/375294337.db2.gz HDUXHTZXMOFKNS-DYVFJYSZSA-N 0 3 290.382 3.334 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000488285628 375306697 /nfs/dbraw/zinc/30/66/97/375306697.db2.gz YGOOYKTTWLAHHM-ZFWWWQNUSA-N 0 3 262.397 3.498 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000488285627 375307027 /nfs/dbraw/zinc/30/70/27/375307027.db2.gz YGOOYKTTWLAHHM-UKRRQHHQSA-N 0 3 262.397 3.498 20 30 CGEDHN CN(Cc1ccc(C#N)o1)CC1(c2ccccc2)CC1 ZINC000188715900 375258682 /nfs/dbraw/zinc/25/86/82/375258682.db2.gz XRNBVPUNLZHGNN-UHFFFAOYSA-N 0 3 266.344 3.315 20 30 CGEDHN CN(Cc1ccc(F)c(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000335331980 375262417 /nfs/dbraw/zinc/26/24/17/375262417.db2.gz NVHAHRFNRKPLIZ-JQWIXIFHSA-N 0 3 250.292 3.089 20 30 CGEDHN C=C(C)COc1cc(CN[C@@H](C)[C@@H](C)OC)ccc1OC ZINC000189122277 375328764 /nfs/dbraw/zinc/32/87/64/375328764.db2.gz KMXBXYSQVOZYLA-UONOGXRCSA-N 0 3 293.407 3.163 20 30 CGEDHN C=CCCCN(C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492777426 375452407 /nfs/dbraw/zinc/45/24/07/375452407.db2.gz XZSZNQFKHFTKPJ-UHFFFAOYSA-N 0 3 278.352 3.392 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H](O)C2CCCCC2)C2CC2)cc1 ZINC000190460553 375513634 /nfs/dbraw/zinc/51/36/34/375513634.db2.gz OJAIKWKOEXXERJ-LJQANCHMSA-N 0 3 298.430 3.464 20 30 CGEDHN CCN1C[C@H](C)N(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000498939477 375628544 /nfs/dbraw/zinc/62/85/44/375628544.db2.gz VPRAMVWAJSTOBV-CABCVRRESA-N 0 3 290.838 3.106 20 30 CGEDHN Cn1cc(CN2CCC(C(C)(C)C)CC2)cc1C#N ZINC000191292352 375605351 /nfs/dbraw/zinc/60/53/51/375605351.db2.gz WSBNFBAUPHGLPG-UHFFFAOYSA-N 0 3 259.397 3.155 20 30 CGEDHN CCN1C[C@H](C)N(CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000498907127 375629254 /nfs/dbraw/zinc/62/92/54/375629254.db2.gz ZRGOFOKRSZCOOV-GJZGRUSLSA-N 0 3 290.838 3.106 20 30 CGEDHN CCC1(CC)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000504218309 375653545 /nfs/dbraw/zinc/65/35/45/375653545.db2.gz HVMLZXFRDOVZCX-INIZCTEOSA-N 0 3 284.403 3.408 20 30 CGEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2CCCCC2)CC1 ZINC000505284674 375656865 /nfs/dbraw/zinc/65/68/65/375656865.db2.gz XVAUJBVJCFYEOZ-IBGZPJMESA-N 0 3 297.446 3.449 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](C)C2)cc1OC ZINC000505327424 375657235 /nfs/dbraw/zinc/65/72/35/375657235.db2.gz UTOPFXCBTVHDMT-CQSZACIVSA-N 0 3 275.392 3.492 20 30 CGEDHN CC(C)c1ccc(C[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000501656258 375641472 /nfs/dbraw/zinc/64/14/72/375641472.db2.gz OTHLSNLSEBNOMC-STQMWFEESA-N 0 3 258.365 3.017 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510552483 375786467 /nfs/dbraw/zinc/78/64/67/375786467.db2.gz VOQAPYSYQXMBGG-MAUKXSAKSA-N 0 3 288.435 3.459 20 30 CGEDHN Cc1c([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cnn1C ZINC000193025553 375817401 /nfs/dbraw/zinc/81/74/01/375817401.db2.gz PMEKIUQTWMHBAT-STQMWFEESA-N 0 3 298.390 3.043 20 30 CGEDHN C=CCCCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000510724527 375787774 /nfs/dbraw/zinc/78/77/74/375787774.db2.gz YDPGRKTXMHLMQX-QGZVFWFLSA-N 0 3 257.377 3.127 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(C1)CCCCC2 ZINC000525124643 375881444 /nfs/dbraw/zinc/88/14/44/375881444.db2.gz DAFJXXHMQVEELZ-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCCCCN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000193518198 375890153 /nfs/dbraw/zinc/89/01/53/375890153.db2.gz GWWMUOVQKJUNPN-LPHOPBHVSA-N 0 3 279.449 3.442 20 30 CGEDHN C[C@H](c1cccs1)N(C)CCCSCC#N ZINC000336661746 375896384 /nfs/dbraw/zinc/89/63/84/375896384.db2.gz CAYNQSITZMRWLD-LLVKDONJSA-N 0 3 254.424 3.388 20 30 CGEDHN CC(C)[C@@H]1CN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000528642623 375907426 /nfs/dbraw/zinc/90/74/26/375907426.db2.gz XDLQVXSRFVDLRT-SFHVURJKSA-N 0 3 297.446 3.133 20 30 CGEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CCCCC#N)C1 ZINC000532379536 375950571 /nfs/dbraw/zinc/95/05/71/375950571.db2.gz JEWLBTFWMCATBH-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@H](C)C2CC2)C1=O ZINC000337136180 376092569 /nfs/dbraw/zinc/09/25/69/376092569.db2.gz MWUNFURTWVIZGO-QAPCUYQASA-N 0 3 298.430 3.074 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2cc(C)ccc2C)C1=O ZINC000337155888 376104170 /nfs/dbraw/zinc/10/41/70/376104170.db2.gz OIIRXYWWRYYEJO-ROUUACIJSA-N 0 3 298.430 3.227 20 30 CGEDHN C=C(CC)CNC(C)(C)C(=O)NCC1CCCCC1 ZINC000539098098 376295501 /nfs/dbraw/zinc/29/55/01/376295501.db2.gz DLLAXLGOJNXGIG-UHFFFAOYSA-N 0 3 266.429 3.017 20 30 CGEDHN N#CCC1CCN(CCOC2CCCCCC2)CC1 ZINC000541019128 376413611 /nfs/dbraw/zinc/41/36/11/376413611.db2.gz GUTGDCQXLOBMRP-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN CCN(CCCCC#N)Cc1ccc(OC)cc1OC ZINC000338739995 376508736 /nfs/dbraw/zinc/50/87/36/376508736.db2.gz LUGIEGQQSXXVKG-UHFFFAOYSA-N 0 3 276.380 3.220 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCc1ccccc1O ZINC000543246018 376624649 /nfs/dbraw/zinc/62/46/49/376624649.db2.gz ZSNJIOUHOOXLMM-AWEZNQCLSA-N 0 3 280.371 3.499 20 30 CGEDHN COc1cc(CN(C)Cc2ccccc2)ccc1C#N ZINC000234929164 376624595 /nfs/dbraw/zinc/62/45/95/376624595.db2.gz KMYBZLWQOZFKQZ-UHFFFAOYSA-N 0 3 266.344 3.199 20 30 CGEDHN COc1cc(CN2CCCC(C)(C)C2)ccc1C#N ZINC000234964363 376626589 /nfs/dbraw/zinc/62/65/89/376626589.db2.gz WHGRTYJARXMTFA-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@@H](CNc1nc(Cl)c(C#N)s1)CN1CCCCC1 ZINC000235125500 376632686 /nfs/dbraw/zinc/63/26/86/376632686.db2.gz HCEYNYCHKWOEIF-JTQLQIEISA-N 0 3 298.843 3.202 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000339458952 376758927 /nfs/dbraw/zinc/75/89/27/376758927.db2.gz DTLYGGWNOOVLIB-ZDUSSCGKSA-N 0 3 284.359 3.203 20 30 CGEDHN C=CCC(C)(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000339598685 376768899 /nfs/dbraw/zinc/76/88/99/376768899.db2.gz YBTQXHTZBHHNJN-UHFFFAOYSA-N 0 3 290.407 3.168 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000545222503 376800339 /nfs/dbraw/zinc/80/03/39/376800339.db2.gz KEWITIPRRYZZJG-CYBMUJFWSA-N 0 3 290.407 3.298 20 30 CGEDHN C[C@@H]1CCCCN1CCNc1cccc(Cl)c1C#N ZINC000561020650 377201584 /nfs/dbraw/zinc/20/15/84/377201584.db2.gz JLXJNMNQBOKVPE-GFCCVEGCSA-N 0 3 277.799 3.498 20 30 CGEDHN CCC[C@@H](C)N(C)Cc1cn2ccccc2c1C#N ZINC000340880976 377301735 /nfs/dbraw/zinc/30/17/35/377301735.db2.gz CRFDSJBCDPVUTM-CYBMUJFWSA-N 0 3 255.365 3.431 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248625312 377368643 /nfs/dbraw/zinc/36/86/43/377368643.db2.gz NTOODXMYYXNTDV-XIRDDKMYSA-N 0 3 286.419 3.150 20 30 CGEDHN Cc1noc([C@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249472854 377506148 /nfs/dbraw/zinc/50/61/48/377506148.db2.gz SJTOOAZKAFJXPJ-WBMJQRKESA-N 0 3 296.374 3.190 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(C)CC1 ZINC000567424321 377507363 /nfs/dbraw/zinc/50/73/63/377507363.db2.gz JNQCLVZLJGQWEK-UHFFFAOYSA-N 0 3 260.337 3.383 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1cccc2c1CCNC2 ZINC000564793042 377478919 /nfs/dbraw/zinc/47/89/19/377478919.db2.gz XHTCOTIMYLZBJE-UHFFFAOYSA-N 0 3 270.376 3.039 20 30 CGEDHN Cc1nc(CCN2CCC(CCC#N)CC2)cs1 ZINC000566794559 377501005 /nfs/dbraw/zinc/50/10/05/377501005.db2.gz KSGQLQOFQVWMCF-UHFFFAOYSA-N 0 3 263.410 3.010 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000568602419 377519601 /nfs/dbraw/zinc/51/96/01/377519601.db2.gz ZQVDNDDJOHHZBA-KBPBESRZSA-N 0 3 280.412 3.122 20 30 CGEDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000361744558 249115275 /nfs/dbraw/zinc/11/52/75/249115275.db2.gz GEZGEPKWIWIDEG-GJZGRUSLSA-N 0 3 278.783 3.259 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N(CCC)CCN1CCCCC1 ZINC000571709239 377543020 /nfs/dbraw/zinc/54/30/20/377543020.db2.gz XEBYVCZBRGVVCI-INIZCTEOSA-N 0 3 280.456 3.313 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1F ZINC000421358259 249126196 /nfs/dbraw/zinc/12/61/96/249126196.db2.gz SPZFUTGMLBGFLB-BPQIPLTHSA-N 0 3 278.330 3.125 20 30 CGEDHN CC(C)OCc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000572564912 377549169 /nfs/dbraw/zinc/54/91/69/377549169.db2.gz LUYUJSYWDDASHS-WMLDXEAASA-N 0 3 272.392 3.393 20 30 CGEDHN N#CC[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2cncnc2)C1 ZINC000572713637 377551250 /nfs/dbraw/zinc/55/12/50/377551250.db2.gz HZVYQFONUBTBBG-WBAXXEDZSA-N 0 3 292.386 3.238 20 30 CGEDHN Cc1cc(CN2CCC(OC(C)C)CC2)ccc1C#N ZINC000515737985 249219894 /nfs/dbraw/zinc/21/98/94/249219894.db2.gz KOWSDWXFKZOAAE-UHFFFAOYSA-N 0 3 272.392 3.256 20 30 CGEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253096367 377676414 /nfs/dbraw/zinc/67/64/14/377676414.db2.gz QGBHKVYHCFIALK-RCCFBDPRSA-N 0 3 284.403 3.074 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](OCCCc3ccccc3)C2)C1 ZINC000575022533 377739698 /nfs/dbraw/zinc/73/96/98/377739698.db2.gz HERTZSWNLLDUCZ-CEXWTWQISA-N 0 3 298.430 3.402 20 30 CGEDHN CC[C@H](CC(F)(F)F)NCc1cnc2ccc(C#N)cn12 ZINC000342784719 377791630 /nfs/dbraw/zinc/79/16/30/377791630.db2.gz VXRPEOWPIGCHQL-LLVKDONJSA-N 0 3 296.296 3.027 20 30 CGEDHN N#Cc1cccc(N[C@@H](CN2CCCC2)c2ccccc2)n1 ZINC000266107726 378015398 /nfs/dbraw/zinc/01/53/98/378015398.db2.gz RUXDRYNEAIAYML-KRWDZBQOSA-N 0 3 292.386 3.202 20 30 CGEDHN CN(CCOc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000264170538 377961672 /nfs/dbraw/zinc/96/16/72/377961672.db2.gz VLXFCUCIZNIRSQ-UHFFFAOYSA-N 0 3 296.370 3.100 20 30 CGEDHN C=CCCN(C)Cc1cn(C)nc1C1CCCCC1 ZINC000343485445 377994176 /nfs/dbraw/zinc/99/41/76/377994176.db2.gz HRPXHUQWCLQSBH-UHFFFAOYSA-N 0 3 261.413 3.476 20 30 CGEDHN Cc1ccc(CN(CCO)Cc2ccc(CC#N)cc2)cc1 ZINC000343677269 378062905 /nfs/dbraw/zinc/06/29/05/378062905.db2.gz CWLNIDJVIMXHEX-UHFFFAOYSA-N 0 3 294.398 3.056 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000268661189 378087012 /nfs/dbraw/zinc/08/70/12/378087012.db2.gz JBZGNRJVELXDLN-GXTWGEPZSA-N 0 3 294.464 3.342 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCOC3(CCCC3)C2)c(F)c1 ZINC000269451887 378222969 /nfs/dbraw/zinc/22/29/69/378222969.db2.gz WDHGTGUFBKDOGD-OAHLLOKOSA-N 0 3 288.366 3.279 20 30 CGEDHN CCS[C@@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC000579907669 378205421 /nfs/dbraw/zinc/20/54/21/378205421.db2.gz IXDVARXRBLQWSB-OAHLLOKOSA-N 0 3 275.421 3.061 20 30 CGEDHN COc1cccc(CCCNCc2ccc(C#N)cc2F)c1 ZINC000269425572 378220641 /nfs/dbraw/zinc/22/06/41/378220641.db2.gz NFXBXXUGIWMYIE-UHFFFAOYSA-N 0 3 298.361 3.428 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](CC2CC2)C1 ZINC000580353193 378244510 /nfs/dbraw/zinc/24/45/10/378244510.db2.gz ZSBWVFIGZFCVKN-MSOLQXFVSA-N 0 3 296.414 3.408 20 30 CGEDHN N#Cc1cnc2ccccc2c1NC1CCN(C2CC2)CC1 ZINC000266057371 190227177 /nfs/dbraw/zinc/22/71/77/190227177.db2.gz FDJLICOJCXJGQD-UHFFFAOYSA-N 0 3 292.386 3.145 20 30 CGEDHN C[C@H]1CCCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000583847260 378352055 /nfs/dbraw/zinc/35/20/55/378352055.db2.gz NDOZQWURVDEWRB-ZDUSSCGKSA-N 0 3 296.374 3.230 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@@H]2CCCC[C@@H]12 ZINC000583880184 378355274 /nfs/dbraw/zinc/35/52/74/378355274.db2.gz PVXMXBOZOLOFRD-XOKHGSTOSA-N 0 3 269.392 3.354 20 30 CGEDHN C#CCCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000270534562 378366226 /nfs/dbraw/zinc/36/62/26/378366226.db2.gz GGCZDFMGKPPLHM-QGZVFWFLSA-N 0 3 285.412 3.307 20 30 CGEDHN CC(C)(C)[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000270674998 378385781 /nfs/dbraw/zinc/38/57/81/378385781.db2.gz RIAKZLJRXNCTJT-GDBMZVCRSA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000271129180 378459033 /nfs/dbraw/zinc/45/90/33/378459033.db2.gz OKORCAQTRHOALE-INIZCTEOSA-N 0 3 297.402 3.354 20 30 CGEDHN C#CCCCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000271027089 378432362 /nfs/dbraw/zinc/43/23/62/378432362.db2.gz KEQGSLCXFIMGHT-LBPRGKRZSA-N 0 3 250.411 3.420 20 30 CGEDHN Cc1ccncc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000271443415 378493841 /nfs/dbraw/zinc/49/38/41/378493841.db2.gz GZTQDMGOCITOHC-AWEZNQCLSA-N 0 3 281.359 3.143 20 30 CGEDHN C[C@@H](NCCN1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964917 378531642 /nfs/dbraw/zinc/53/16/42/378531642.db2.gz VCHQAHFBMQOCCT-UONOGXRCSA-N 0 3 289.398 3.222 20 30 CGEDHN C=C(C)CN(CC)Cc1ccccc1OCCCCO ZINC000637838027 378596574 /nfs/dbraw/zinc/59/65/74/378596574.db2.gz OXALIJFKNOPXFB-UHFFFAOYSA-N 0 3 277.408 3.236 20 30 CGEDHN C=CCOCCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000272532938 378660089 /nfs/dbraw/zinc/66/00/89/378660089.db2.gz JMNCEIPRRXLWDT-LLVKDONJSA-N 0 3 271.307 3.141 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccccc1NC(C)=O ZINC000272659830 378684477 /nfs/dbraw/zinc/68/44/77/378684477.db2.gz RGYJFHDHQPVBPB-UHFFFAOYSA-N 0 3 298.386 3.469 20 30 CGEDHN N#CCCCN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000346845452 378693872 /nfs/dbraw/zinc/69/38/72/378693872.db2.gz ZUMOTLAMYBKVBE-CYBMUJFWSA-N 0 3 264.756 3.447 20 30 CGEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)[C@H]1CCCO1 ZINC000346628038 378652161 /nfs/dbraw/zinc/65/21/61/378652161.db2.gz IQZVEWJTYRBBEQ-NUEKZKHPSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCOc1ccccc1CNCCCc1nccs1 ZINC000347839316 378726377 /nfs/dbraw/zinc/72/63/77/378726377.db2.gz YBHZWSQQYJRNEC-UHFFFAOYSA-N 0 3 288.416 3.430 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1c(F)cccc1OC ZINC000348056455 378771618 /nfs/dbraw/zinc/77/16/18/378771618.db2.gz RGCXCDUTVWTFAP-LBPRGKRZSA-N 0 3 267.344 3.078 20 30 CGEDHN C=CCN1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000266386589 190253561 /nfs/dbraw/zinc/25/35/61/190253561.db2.gz NQGJONZTKDIWIS-UHFFFAOYSA-N 0 3 275.783 3.274 20 30 CGEDHN Cc1cccc(OCCCNCc2cc(C#N)n(C)c2)c1C ZINC000278847794 194181544 /nfs/dbraw/zinc/18/15/44/194181544.db2.gz WRKJOSXHKVJLFH-UHFFFAOYSA-N 0 3 297.402 3.072 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCC2CCN(C3CC3)CC2)c1 ZINC000278023776 379282043 /nfs/dbraw/zinc/28/20/43/379282043.db2.gz ZPUJYXXDHUQTHR-UHFFFAOYSA-N 0 3 297.402 3.047 20 30 CGEDHN C=C(C)COc1cc(CN(CC)CCOC)ccc1OC ZINC000349862746 379428909 /nfs/dbraw/zinc/42/89/09/379428909.db2.gz YIHFVXVIXBMGNG-UHFFFAOYSA-N 0 3 293.407 3.118 20 30 CGEDHN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C1 ZINC000266939025 190292332 /nfs/dbraw/zinc/29/23/32/190292332.db2.gz PJGYDMRHOWXNBG-LBPRGKRZSA-N 0 3 296.374 3.229 20 30 CGEDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCC(C)(C)C#N)C1 ZINC000376550412 379577546 /nfs/dbraw/zinc/57/75/46/379577546.db2.gz DUIJLVOAHZAFHS-HIFRSBDPSA-N 0 3 257.381 3.404 20 30 CGEDHN C=CCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000267188223 190309701 /nfs/dbraw/zinc/30/97/01/190309701.db2.gz ZHXIMXLFDOZYBY-AEFFLSMTSA-N 0 3 298.430 3.486 20 30 CGEDHN C#CCCN(CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000280625305 379750302 /nfs/dbraw/zinc/75/03/02/379750302.db2.gz WYPZBJYWOLQTJM-UHFFFAOYSA-N 0 3 294.398 3.158 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)NCc1ccc(C#N)cc1F ZINC000352412495 379803434 /nfs/dbraw/zinc/80/34/34/379803434.db2.gz GBFVOYKFAXWTKX-GFCCVEGCSA-N 0 3 284.334 3.124 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000280910377 379808673 /nfs/dbraw/zinc/80/86/73/379808673.db2.gz RZURABQQGAEXCJ-XNJGSVPQSA-N 0 3 291.391 3.033 20 30 CGEDHN C=C(C)CCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640568142 379823741 /nfs/dbraw/zinc/82/37/41/379823741.db2.gz PXFHGAFLSJHXTG-UONOGXRCSA-N 0 3 287.325 3.077 20 30 CGEDHN C=CCCCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640564657 379823984 /nfs/dbraw/zinc/82/39/84/379823984.db2.gz SCNJJTBNBZFOFF-UONOGXRCSA-N 0 3 287.325 3.077 20 30 CGEDHN CC(C)[C@@H]1CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000352683631 379907199 /nfs/dbraw/zinc/90/71/99/379907199.db2.gz KYLVHQXXGMFQCZ-KRWDZBQOSA-N 0 3 294.402 3.189 20 30 CGEDHN C[C@H]1CSC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000352795749 379965994 /nfs/dbraw/zinc/96/59/94/379965994.db2.gz FENXBWBBKPYFRI-JOYOIKCWSA-N 0 3 298.358 3.001 20 30 CGEDHN CO[C@@](C)(CNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000404250700 379979584 /nfs/dbraw/zinc/97/95/84/379979584.db2.gz KHVKBEVBRBVAQR-SFHVURJKSA-N 0 3 298.361 3.349 20 30 CGEDHN CC[C@H]1C[C@@H](C)CN1Cc1cc(C#N)ccc1OC ZINC000399742141 379943547 /nfs/dbraw/zinc/94/35/47/379943547.db2.gz JJRKYACRWMRNDG-DOMZBBRYSA-N 0 3 258.365 3.187 20 30 CGEDHN N#Cc1ccnc(S[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000283113774 380035738 /nfs/dbraw/zinc/03/57/38/380035738.db2.gz SCCAJYRCRNNDOK-INIZCTEOSA-N 0 3 295.411 3.320 20 30 CGEDHN C[C@@H]1CCC[C@@H](CNCc2nc(C#N)cs2)[C@H]1C ZINC000352945745 380050997 /nfs/dbraw/zinc/05/09/97/380050997.db2.gz POZYXIRWBPEGPO-WOPDTQHZSA-N 0 3 263.410 3.177 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc2c(c1)CCO2 ZINC000352934667 380047214 /nfs/dbraw/zinc/04/72/14/380047214.db2.gz WIVZZLBMLCISGF-UHFFFAOYSA-N 0 3 283.371 3.445 20 30 CGEDHN C=CCN(Cc1cccnc1N)CC1CCCCC1 ZINC000411258330 380136150 /nfs/dbraw/zinc/13/61/50/380136150.db2.gz LMUMTVNRJQKPEO-UHFFFAOYSA-N 0 3 259.397 3.232 20 30 CGEDHN CO[C@@H](CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000283997536 380115061 /nfs/dbraw/zinc/11/50/61/380115061.db2.gz NJNWCSMHBVNLOQ-SFHVURJKSA-N 0 3 280.371 3.378 20 30 CGEDHN COc1cc2c(cc1OC)[C@@H](NCC(C)(C)CC#N)CC2 ZINC000414161306 380195286 /nfs/dbraw/zinc/19/52/86/380195286.db2.gz FERGSFUIZRUEQH-AWEZNQCLSA-N 0 3 288.391 3.221 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCCO2 ZINC000414163645 380195544 /nfs/dbraw/zinc/19/55/44/380195544.db2.gz IXPISCISPACPIO-GFCCVEGCSA-N 0 3 274.364 3.048 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCO2 ZINC000414170384 380197419 /nfs/dbraw/zinc/19/74/19/380197419.db2.gz SUFHMHPVJMTXAB-LLVKDONJSA-N 0 3 260.337 3.006 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)COC2 ZINC000414173364 380198798 /nfs/dbraw/zinc/19/87/98/380198798.db2.gz WWYWSFCOKBKJBG-GFCCVEGCSA-N 0 3 258.365 3.307 20 30 CGEDHN CSCc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000353948551 380250801 /nfs/dbraw/zinc/25/08/01/380250801.db2.gz VOWVKIWSIMWBMG-CABCVRRESA-N 0 3 260.406 3.331 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccn(C)n1 ZINC000414301416 380211243 /nfs/dbraw/zinc/21/12/43/380211243.db2.gz MWRXYILWJIETIT-ZBFHGGJFSA-N 0 3 269.392 3.258 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1OC ZINC000414577987 380327198 /nfs/dbraw/zinc/32/71/98/380327198.db2.gz HSBGFPPKMDQLKE-HUUCEWRRSA-N 0 3 299.370 3.499 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000353998923 380272627 /nfs/dbraw/zinc/27/26/27/380272627.db2.gz YYFBDMNECYNGSF-SFHVURJKSA-N 0 3 262.356 3.375 20 30 CGEDHN C=CCOc1ccccc1CN1CCC2(C1)CCOCC2 ZINC000354035596 380292080 /nfs/dbraw/zinc/29/20/80/380292080.db2.gz ZNOHPMYWGACJKZ-UHFFFAOYSA-N 0 3 287.403 3.254 20 30 CGEDHN CC(C)(C)[C@@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000414531185 380304092 /nfs/dbraw/zinc/30/40/92/380304092.db2.gz FVPFDEUIPZPDHG-VXGBXAGGSA-N 0 3 263.410 3.319 20 30 CGEDHN CC[C@@H](C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354459362 380447500 /nfs/dbraw/zinc/44/75/00/380447500.db2.gz DQZXLVXSMFJCNO-IUODEOHRSA-N 0 3 295.342 3.144 20 30 CGEDHN CC[C@@H](C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354459362 380447507 /nfs/dbraw/zinc/44/75/07/380447507.db2.gz DQZXLVXSMFJCNO-IUODEOHRSA-N 0 3 295.342 3.144 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)Nc1cccc(CNC)c1 ZINC000415936633 380516700 /nfs/dbraw/zinc/51/67/00/380516700.db2.gz WGTSCUWZLWFIHU-CYBMUJFWSA-N 0 3 275.396 3.272 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416021666 380517832 /nfs/dbraw/zinc/51/78/32/380517832.db2.gz YRWLSQCBKBKAAJ-GFCCVEGCSA-N 0 3 273.380 3.156 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416223189 380523960 /nfs/dbraw/zinc/52/39/60/380523960.db2.gz OKXJQBHZROWKSM-SJORKVTESA-N 0 3 286.419 3.247 20 30 CGEDHN N#Cc1ccc(C(F)(F)F)c(NCCN2CCCC2)c1 ZINC000355336992 380648133 /nfs/dbraw/zinc/64/81/33/380648133.db2.gz FLHLZGLVCFGKKI-UHFFFAOYSA-N 0 3 283.297 3.085 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCN(CC(F)F)C1)c1ccco1 ZINC000417362615 380608807 /nfs/dbraw/zinc/60/88/07/380608807.db2.gz AIBOSVLRSHIKEG-STQMWFEESA-N 0 3 284.350 3.216 20 30 CGEDHN N#Cc1csc(CN2CCC[C@]3(CCSC3)C2)c1 ZINC000334747043 207008615 /nfs/dbraw/zinc/00/86/15/207008615.db2.gz JTECPQYQLGHDSB-AWEZNQCLSA-N 0 3 278.446 3.339 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](CC)OC ZINC000419205149 380777875 /nfs/dbraw/zinc/77/78/75/380777875.db2.gz IUFXWQZRSYDEDY-HNNXBMFYSA-N 0 3 263.381 3.108 20 30 CGEDHN COC1(C(F)(F)F)CCN(CCCC(C)(C)C#N)CC1 ZINC000419311465 380800393 /nfs/dbraw/zinc/80/03/93/380800393.db2.gz DDCXEOJMRYBCIC-UHFFFAOYSA-N 0 3 292.345 3.360 20 30 CGEDHN C=CCN(CC=C)C(=O)CNC1(c2ccc(C)cc2)CCC1 ZINC000646131815 380850311 /nfs/dbraw/zinc/85/03/11/380850311.db2.gz KBYQAJPLXNEXRT-UHFFFAOYSA-N 0 3 298.430 3.164 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000358284849 381300358 /nfs/dbraw/zinc/30/03/58/381300358.db2.gz FQISNMIRTISGLC-QWRGUYRKSA-N 0 3 276.771 3.146 20 30 CGEDHN C=C(CC)CN(CC)Cc1ccc(OC)c(OC)c1 ZINC000358622866 381319338 /nfs/dbraw/zinc/31/93/38/381319338.db2.gz FOQPANYOQFHTNE-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000359952029 381385330 /nfs/dbraw/zinc/38/53/30/381385330.db2.gz HRSDSVZSKHXJSI-ZWNOBZJWSA-N 0 3 262.328 3.189 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(OC3CCC3)c2)C1 ZINC000361433046 381745725 /nfs/dbraw/zinc/74/57/25/381745725.db2.gz ZDUOGKYGPZVGRN-ZFWWWQNUSA-N 0 3 285.391 3.185 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1F)[C@H]1CC[C@@H](C)C1 ZINC000361634260 381846898 /nfs/dbraw/zinc/84/68/98/381846898.db2.gz AFESUAKEXFXPGD-CJNGLKHVSA-N 0 3 290.382 3.334 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1F)[C@@H]1CC[C@H](C)C1 ZINC000361634262 381846986 /nfs/dbraw/zinc/84/69/86/381846986.db2.gz AFESUAKEXFXPGD-XJKSGUPXSA-N 0 3 290.382 3.334 20 30 CGEDHN COCCN(Cc1cccc(C#N)c1F)[C@@H]1CC[C@H](C)C1 ZINC000362159181 381891454 /nfs/dbraw/zinc/89/14/54/381891454.db2.gz UTHCRTUKVLSMIP-XJKSGUPXSA-N 0 3 290.382 3.334 20 30 CGEDHN C#CCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000362448385 381995455 /nfs/dbraw/zinc/99/54/55/381995455.db2.gz AZECDGUYZPAQGL-UHFFFAOYSA-N 0 3 263.768 3.207 20 30 CGEDHN COCCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362424824 381985835 /nfs/dbraw/zinc/98/58/35/381985835.db2.gz LMCKMNNMPRDCON-UHFFFAOYSA-N 0 3 270.376 3.074 20 30 CGEDHN COc1cccc2c1OCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000365819585 382296124 /nfs/dbraw/zinc/29/61/24/382296124.db2.gz JLNSNPALNRXCJT-GUTXKFCHSA-N 0 3 286.375 3.191 20 30 CGEDHN CC1(C)CCN(Cc2ccc(C#N)s2)CCS1 ZINC000335336371 208218945 /nfs/dbraw/zinc/21/89/45/208218945.db2.gz JPPHJKHXLAKTHE-UHFFFAOYSA-N 0 3 266.435 3.337 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000335986775 533115063 /nfs/dbraw/zinc/11/50/63/533115063.db2.gz NYTMLFIBHGNNNB-QWRGUYRKSA-N 0 3 270.307 3.316 20 30 CGEDHN C=CCOCCNCc1ccc(Cl)c2cccnc12 ZINC000311755886 542430544 /nfs/dbraw/zinc/43/05/44/542430544.db2.gz UKLRLFPOWIEULZ-UHFFFAOYSA-N 0 3 276.767 3.180 20 30 CGEDHN C=CCCOCCNCc1cccc(C(F)(F)F)c1 ZINC000120879777 262239066 /nfs/dbraw/zinc/23/90/66/262239066.db2.gz QEHXPMISFIAACV-UHFFFAOYSA-N 0 3 273.298 3.388 20 30 CGEDHN COCCCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358573206 533234638 /nfs/dbraw/zinc/23/46/38/533234638.db2.gz RBFIFHGIUQGKBD-GFCCVEGCSA-N 0 3 264.344 3.165 20 30 CGEDHN C[C@@H](NCC(C)(C)OCC1CC1)c1cccc(C#N)c1 ZINC000414260545 533351931 /nfs/dbraw/zinc/35/19/31/533351931.db2.gz IIFVRPCPBMXLQU-CYBMUJFWSA-N 0 3 272.392 3.414 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1N(C)C ZINC000430762549 533356828 /nfs/dbraw/zinc/35/68/28/533356828.db2.gz OMDPEJJGPACSGH-GFCCVEGCSA-N 0 3 275.371 3.236 20 30 CGEDHN COc1ccc2oc([C@H](C)NC(=O)C(C)C#N)c(C)c2c1 ZINC000347140415 533358373 /nfs/dbraw/zinc/35/83/73/533358373.db2.gz TTYHHCBPCQKOOC-KOLCDFICSA-N 0 3 286.331 3.087 20 30 CGEDHN Cc1cc(CN2CCC(OC3CCC3)CC2)ccc1C#N ZINC000418087914 533596101 /nfs/dbraw/zinc/59/61/01/533596101.db2.gz DSGBVXQTAFQCIA-UHFFFAOYSA-N 0 3 284.403 3.400 20 30 CGEDHN COc1ccc(CN2CC(C)(C)C[C@H]2C)cc1C#N ZINC000412042817 533552830 /nfs/dbraw/zinc/55/28/30/533552830.db2.gz NCEKSUVTCMBQOI-GFCCVEGCSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCOCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000380483821 542594607 /nfs/dbraw/zinc/59/46/07/542594607.db2.gz WZYFYWAFASSBLO-UHFFFAOYSA-N 0 3 275.323 3.378 20 30 CGEDHN Cn1cc(CNC2(c3ccccc3)CCC2)cc1C#N ZINC000190910943 130161577 /nfs/dbraw/zinc/16/15/77/130161577.db2.gz FXVABMUCVBZMCX-UHFFFAOYSA-N 0 3 265.360 3.066 20 30 CGEDHN Cc1cccc([C@H](C)NCc2cc(C#N)n(C)c2)c1C ZINC000191080599 130181280 /nfs/dbraw/zinc/18/12/80/130181280.db2.gz PDLDXOBRTBACFU-AWEZNQCLSA-N 0 3 267.376 3.364 20 30 CGEDHN C=C(C)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192087318 130367760 /nfs/dbraw/zinc/36/77/60/130367760.db2.gz LNJQHOBHHRXENY-KGLIPLIRSA-N 0 3 269.747 3.475 20 30 CGEDHN CC(C)CN(C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049442449 392047987 /nfs/dbraw/zinc/04/79/87/392047987.db2.gz IQEZCISGAOYZIE-LLVKDONJSA-N 0 3 293.798 3.126 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](c2ccccc2C)C(C)C)C1=O ZINC000281955784 392262688 /nfs/dbraw/zinc/26/26/88/392262688.db2.gz JXVHVRQIRAJPBN-DLBZAZTESA-N 0 3 286.419 3.069 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361839310 392340474 /nfs/dbraw/zinc/34/04/74/392340474.db2.gz HVUAXZQHJKEVCZ-HOTGVXAUSA-N 0 3 290.382 3.333 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCSc2c(F)cccc21 ZINC000453352768 542682294 /nfs/dbraw/zinc/68/22/94/542682294.db2.gz KBEJDTRMXXXHGM-MJBXVCDLSA-N 0 3 279.380 3.296 20 30 CGEDHN C=CCC[C@H](NCCCNC(=O)C1CCC1)c1ccco1 ZINC000286197932 392379397 /nfs/dbraw/zinc/37/93/97/392379397.db2.gz RFGYZRRTIUCFKD-HNNXBMFYSA-N 0 3 290.407 3.183 20 30 CGEDHN C=CCC[C@@H](NCC1([S@@](C)=O)CCC1)c1ccco1 ZINC000286378170 392381249 /nfs/dbraw/zinc/38/12/49/392381249.db2.gz AMGLHFWMIQPWDB-BFUOFWGJSA-N 0 3 281.421 3.178 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000289721271 392430241 /nfs/dbraw/zinc/43/02/41/392430241.db2.gz JQTHCOVKRDXAHN-WBVHZDCISA-N 0 3 288.435 3.265 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000289922574 392436287 /nfs/dbraw/zinc/43/62/87/392436287.db2.gz UZHBKXOSZQKOCK-RISCZKNCSA-N 0 3 288.416 3.316 20 30 CGEDHN C=CCC[C@@H](O)CN1CCS[C@H](c2ccccc2)C1 ZINC000366161492 392451090 /nfs/dbraw/zinc/45/10/90/392451090.db2.gz CSWSLAAOXKYVBO-CVEARBPZSA-N 0 3 277.433 3.104 20 30 CGEDHN C=CCC[C@H](O)CN1CCS[C@@H](c2ccccc2)C1 ZINC000366161502 392451420 /nfs/dbraw/zinc/45/14/20/392451420.db2.gz CSWSLAAOXKYVBO-JKSUJKDBSA-N 0 3 277.433 3.104 20 30 CGEDHN C=CCCCN(C)Cc1cn2cc(Cl)ccc2n1 ZINC000121083256 392406218 /nfs/dbraw/zinc/40/62/18/392406218.db2.gz FCZUBUWRXLAHCA-UHFFFAOYSA-N 0 3 263.772 3.386 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccnc(C(C)(C)C)n2)CC1 ZINC000301505070 392593973 /nfs/dbraw/zinc/59/39/73/392593973.db2.gz GOQYYWOAZHNDQJ-UHFFFAOYSA-N 0 3 288.439 3.227 20 30 CGEDHN CCN1CCCC[C@@H]1CNc1c(C#N)cnc2ccccc21 ZINC000301517168 392594018 /nfs/dbraw/zinc/59/40/18/392594018.db2.gz DCTKQMXFZGDUQR-OAHLLOKOSA-N 0 3 294.402 3.393 20 30 CGEDHN C#CCCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000372373721 392605282 /nfs/dbraw/zinc/60/52/82/392605282.db2.gz DNWYRBYVGJYSHV-CQSZACIVSA-N 0 3 299.349 3.078 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000181324218 392728219 /nfs/dbraw/zinc/72/82/19/392728219.db2.gz DQORXRPIMOGYKM-AWEZNQCLSA-N 0 3 287.325 3.117 20 30 CGEDHN COc1cccc([C@H](C)N2CCC(C)(C#N)CC2)c1 ZINC000334309065 392719082 /nfs/dbraw/zinc/71/90/82/392719082.db2.gz IGMHUGAJCHSMKJ-ZDUSSCGKSA-N 0 3 258.365 3.382 20 30 CGEDHN N#CCCN(CC1CC1)C[C@H]1CCCC(F)(F)C1 ZINC000338310483 392909409 /nfs/dbraw/zinc/90/94/09/392909409.db2.gz XSKTZCZFCHSRCN-ZDUSSCGKSA-N 0 3 256.340 3.438 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2CCOCCC#N)cc1 ZINC000338879181 392934380 /nfs/dbraw/zinc/93/43/80/392934380.db2.gz AZXCHBBVXTYKBY-INIZCTEOSA-N 0 3 258.365 3.062 20 30 CGEDHN C=CCOCCN(CC)Cc1cccc(Cl)c1 ZINC000338914402 392936465 /nfs/dbraw/zinc/93/64/65/392936465.db2.gz YBLDWMVFEGKOMC-UHFFFAOYSA-N 0 3 253.773 3.365 20 30 CGEDHN COc1ccc(CN(C)C2CC(C)(C)C2)cc1C#N ZINC000395484756 392940845 /nfs/dbraw/zinc/94/08/45/392940845.db2.gz PBRDKNPFLFJSPS-UHFFFAOYSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc(C#N)cc1Cl ZINC000411644149 392984962 /nfs/dbraw/zinc/98/49/62/392984962.db2.gz IZFRRJYQWOVSLV-UHFFFAOYSA-N 0 3 291.826 3.151 20 30 CGEDHN CC[C@@H]1CN(CC)CCN1CCC1(C#N)CCCCC1 ZINC000411788179 392988746 /nfs/dbraw/zinc/98/87/46/392988746.db2.gz GCPITBFSGNZOAV-MRXNPFEDSA-N 0 3 277.456 3.267 20 30 CGEDHN COc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000412024036 392992475 /nfs/dbraw/zinc/99/24/75/392992475.db2.gz BCSNTBGUJTZDCA-WCQYABFASA-N 0 3 278.783 3.473 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1Cl)C1CCOCC1 ZINC000221121516 393006533 /nfs/dbraw/zinc/00/65/33/393006533.db2.gz BDPICKFSNDBEDQ-NSHDSACASA-N 0 3 278.783 3.116 20 30 CGEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(C)C#N)CCC2 ZINC000342973444 393014777 /nfs/dbraw/zinc/01/47/77/393014777.db2.gz BSCPDBJHOCZKBN-BLLLJJGKSA-N 0 3 270.376 3.463 20 30 CGEDHN C=CCOc1ccccc1CNCC1([C@@H](O)C(C)C)CC1 ZINC000345680917 393063871 /nfs/dbraw/zinc/06/38/71/393063871.db2.gz BTULSFCPWDBFRQ-KRWDZBQOSA-N 0 3 289.419 3.138 20 30 CGEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253096365 393128149 /nfs/dbraw/zinc/12/81/49/393128149.db2.gz QGBHKVYHCFIALK-KURKYZTESA-N 0 3 284.403 3.074 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](COC(F)F)C2)cc1 ZINC000348882608 393134009 /nfs/dbraw/zinc/13/40/09/393134009.db2.gz YZNSAMKWILLCSM-CQSZACIVSA-N 0 3 297.345 3.313 20 30 CGEDHN C=CC[C@@H](C)N[C@H](c1ccccc1)c1cncnc1 ZINC000349489949 393148243 /nfs/dbraw/zinc/14/82/43/393148243.db2.gz BRHLIZDAKYAGSY-CZUORRHYSA-N 0 3 253.349 3.120 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2cn[nH]c21)c1ccc(C#N)c(F)c1 ZINC000271925524 393257195 /nfs/dbraw/zinc/25/71/95/393257195.db2.gz GHGINQSDIKWGHO-ZUZCIYMTSA-N 0 3 284.338 3.149 20 30 CGEDHN CC[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(C#N)cc1 ZINC000278305878 393317443 /nfs/dbraw/zinc/31/74/43/393317443.db2.gz SHZIPLPAOBFUEC-QGZVFWFLSA-N 0 3 294.402 3.260 20 30 CGEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000470948095 393267692 /nfs/dbraw/zinc/26/76/92/393267692.db2.gz KHGVURNUXVIYBX-RISCZKNCSA-N 0 3 298.308 3.210 20 30 CGEDHN COc1cc(CN[C@H]2CS[C@H](C(C)C)C2)ccc1C#N ZINC000356374626 393431142 /nfs/dbraw/zinc/43/11/42/393431142.db2.gz WUPUDYRDUAZLBB-ZBFHGGJFSA-N 0 3 290.432 3.187 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429565166 393482093 /nfs/dbraw/zinc/48/20/93/393482093.db2.gz HBHJVNRADIYNOY-DOMZBBRYSA-N 0 3 258.365 3.187 20 30 CGEDHN CC(C)CN(C(=O)C(C)C#N)[C@@H]1CCCc2cccnc21 ZINC000358933993 393529660 /nfs/dbraw/zinc/52/96/60/393529660.db2.gz MDKIOJYAKIBRSR-DZGCQCFKSA-N 0 3 285.391 3.103 20 30 CGEDHN CC(C)CN(C(=O)C(C)C#N)[C@H]1CCCc2cccnc21 ZINC000358933994 393529676 /nfs/dbraw/zinc/52/96/76/393529676.db2.gz MDKIOJYAKIBRSR-HIFRSBDPSA-N 0 3 285.391 3.103 20 30 CGEDHN C=CC1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000360287544 393562671 /nfs/dbraw/zinc/56/26/71/393562671.db2.gz WBYRANFWZRUYQF-QGZVFWFLSA-N 0 3 284.403 3.080 20 30 CGEDHN CCc1cnccc1[C@@H](C)NCCOc1ccccc1C#N ZINC000361134946 393680079 /nfs/dbraw/zinc/68/00/79/393680079.db2.gz JPLLORQSLWREPC-CQSZACIVSA-N 0 3 295.386 3.245 20 30 CGEDHN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)CC12CCC2 ZINC000361106780 393673814 /nfs/dbraw/zinc/67/38/14/393673814.db2.gz OUUVWTHKCGEGJX-CQSZACIVSA-N 0 3 294.402 3.218 20 30 CGEDHN Cc1cc(CNCc2ccc(F)cc2)ccc1C#N ZINC000443995857 393780864 /nfs/dbraw/zinc/78/08/64/393780864.db2.gz WTOYTYAFCODGTR-UHFFFAOYSA-N 0 3 254.308 3.296 20 30 CGEDHN N#Cc1cccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449530497 393884742 /nfs/dbraw/zinc/88/47/42/393884742.db2.gz ADWIIWHQYPUQIL-IAGOWNOFSA-N 0 3 252.361 3.179 20 30 CGEDHN COc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cc1C#N ZINC000449545660 393893718 /nfs/dbraw/zinc/89/37/18/393893718.db2.gz ZEYQWWLXCISBGL-SJLPKXTDSA-N 0 3 282.387 3.187 20 30 CGEDHN C=CCCCCCN(C)Cc1ccnn1-c1ccncc1 ZINC000667649871 542905339 /nfs/dbraw/zinc/90/53/39/542905339.db2.gz FDIXMTXMANWPOP-UHFFFAOYSA-N 0 3 284.407 3.446 20 30 CGEDHN C=CC[C@H]1N(Cc2cnc(C)n2C)CCCC1(C)C ZINC000668070548 542965212 /nfs/dbraw/zinc/96/52/12/542965212.db2.gz STEHOSFMMOGJCP-OAHLLOKOSA-N 0 3 261.413 3.295 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1cc(COC)cs1 ZINC000668078765 542966486 /nfs/dbraw/zinc/96/64/86/542966486.db2.gz UIHQMRIASLSQGL-CYBMUJFWSA-N 0 3 251.395 3.435 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1 ZINC000668493362 543019816 /nfs/dbraw/zinc/01/98/16/543019816.db2.gz NHIBETZALDVFRG-LBPRGKRZSA-N 0 3 262.422 3.420 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000668493358 543021024 /nfs/dbraw/zinc/02/10/24/543021024.db2.gz NGIYPVUMXJICSL-MRXNPFEDSA-N 0 3 296.418 3.364 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccccc2NC(C)=O)C1 ZINC000668494142 543020930 /nfs/dbraw/zinc/02/09/30/543020930.db2.gz WNHIRDULPBNIIH-OAHLLOKOSA-N 0 3 272.392 3.433 20 30 CGEDHN C=C(CC)CN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000678624708 543547588 /nfs/dbraw/zinc/54/75/88/543547588.db2.gz MFNVISDKGHOEPF-CQSZACIVSA-N 0 3 287.325 3.469 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1ccccc1OCC ZINC000678745141 543552318 /nfs/dbraw/zinc/55/23/18/543552318.db2.gz OFMMXZRBKQEEQL-HUUCEWRRSA-N 0 3 263.381 3.063 20 30 CGEDHN COCC#CCN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000678753675 543553309 /nfs/dbraw/zinc/55/33/09/543553309.db2.gz JIUQVEQBLGJIQN-QGZVFWFLSA-N 0 3 275.367 3.296 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000678770028 543556113 /nfs/dbraw/zinc/55/61/13/543556113.db2.gz HMWITXWBJTXGRS-CABCVRRESA-N 0 3 267.376 3.325 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](CC)c1cccc(Cl)c1 ZINC000678736550 543551615 /nfs/dbraw/zinc/55/16/15/543551615.db2.gz XEXNJIMSJWSBAH-KGLIPLIRSA-N 0 3 253.773 3.318 20 30 CGEDHN CC(C)COC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000054322803 286942436 /nfs/dbraw/zinc/94/24/36/286942436.db2.gz PMNFSEMRAHHKHT-UHFFFAOYSA-N 0 3 272.392 3.195 20 30 CGEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)C[C@@H](C)S1 ZINC000070383281 286989128 /nfs/dbraw/zinc/98/91/28/286989128.db2.gz RUBHIPMMVBDSAG-ZIAGYGMSSA-N 0 3 290.432 3.153 20 30 CGEDHN COc1ccc(CN2CCCCC[C@H]2C)cc1C#N ZINC000087833434 165188748 /nfs/dbraw/zinc/18/87/48/165188748.db2.gz AHKITABJJQEPOS-CYBMUJFWSA-N 0 3 258.365 3.331 20 30 CGEDHN N#Cc1ccc(OC2CCC(NCc3ccco3)CC2)nc1 ZINC000092854163 165315387 /nfs/dbraw/zinc/31/53/87/165315387.db2.gz CFRKOYIYNIQKGS-UHFFFAOYSA-N 0 3 297.358 3.026 20 30 CGEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2cc(C#N)cs2)C1(C)C ZINC000093871904 165338161 /nfs/dbraw/zinc/33/81/61/165338161.db2.gz RVQHWJHXHUITGZ-HIFRSBDPSA-N 0 3 278.421 3.255 20 30 CGEDHN CCC(CC)CN(CC)Cc1cnc2ccc(C#N)cn12 ZINC000119801924 287174112 /nfs/dbraw/zinc/17/41/12/287174112.db2.gz NUOOGHRZBYHCGM-UHFFFAOYSA-N 0 3 284.407 3.464 20 30 CGEDHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000007379202 170280878 /nfs/dbraw/zinc/28/08/78/170280878.db2.gz PYDSDVHOQWSJET-KBPBESRZSA-N 0 3 293.370 3.236 20 30 CGEDHN CN(CCCN(C)Cc1ccccc1C#N)Cc1ccco1 ZINC000285507510 196308126 /nfs/dbraw/zinc/30/81/26/196308126.db2.gz DCRYIPLSEYEZIF-UHFFFAOYSA-N 0 3 297.402 3.105 20 30 CGEDHN CN(C)[C@H](CNc1cccc(F)c1C#N)c1ccccc1 ZINC000071800997 176266151 /nfs/dbraw/zinc/26/61/51/176266151.db2.gz VSKMELAKMFOHAR-QGZVFWFLSA-N 0 3 283.350 3.412 20 30 CGEDHN Cc1[nH]c2ccccc2c1C(=O)C(C#N)c1ccccn1 ZINC000049457231 416470730 /nfs/dbraw/zinc/47/07/30/416470730.db2.gz UZNKTCZBILWFLJ-ZDUSSCGKSA-N 0 3 275.311 3.361 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000679463123 543637604 /nfs/dbraw/zinc/63/76/04/543637604.db2.gz ORIMXWAVDJHCAH-LLVKDONJSA-N 0 3 269.772 3.202 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](OC)CC1 ZINC000680003608 543675128 /nfs/dbraw/zinc/67/51/28/543675128.db2.gz IOOLXTXKWHPXDF-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000680405879 543709536 /nfs/dbraw/zinc/70/95/36/543709536.db2.gz NSCBYZZPPOCLBL-GXTWGEPZSA-N 0 3 289.375 3.419 20 30 CGEDHN CC(C#N)C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000334879005 225344645 /nfs/dbraw/zinc/34/46/45/225344645.db2.gz DVORKLXDHQSWBT-GFCCVEGCSA-N 0 3 290.794 3.380 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c[nH]nc2c1 ZINC000131167308 287372436 /nfs/dbraw/zinc/37/24/36/287372436.db2.gz PQRVXFNGLQQRAQ-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc(C#N)cs1 ZINC000131395043 287378748 /nfs/dbraw/zinc/37/87/48/287378748.db2.gz XDKPHMNSLZOYMT-UONOGXRCSA-N 0 3 278.421 3.303 20 30 CGEDHN C=CCOCCNCc1c(Cl)cccc1CC ZINC000682730999 543862505 /nfs/dbraw/zinc/86/25/05/543862505.db2.gz SQSRVIJKHIMNKF-UHFFFAOYSA-N 0 3 253.773 3.195 20 30 CGEDHN CC(C#N)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000347076591 226016614 /nfs/dbraw/zinc/01/66/14/226016614.db2.gz UDIQTIWMNTZEMP-AWEZNQCLSA-N 0 3 294.354 3.041 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000683843388 543948121 /nfs/dbraw/zinc/94/81/21/543948121.db2.gz AZMBUUZPGBJRMR-KRWDZBQOSA-N 0 3 284.403 3.119 20 30 CGEDHN N#CC(C(=O)c1ccc2sccc2c1)c1ccncn1 ZINC000354462807 227002262 /nfs/dbraw/zinc/00/22/62/227002262.db2.gz ILMJDPYSUCMQNJ-LBPRGKRZSA-N 0 3 279.324 3.181 20 30 CGEDHN C=CCC1(NC(=O)N[C@H](CC)CN2CCCC2)CCCC1 ZINC000664410568 418953941 /nfs/dbraw/zinc/95/39/41/418953941.db2.gz XGJGLHFRBRZSQK-OAHLLOKOSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CCCC(C)(C)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000659024553 418957994 /nfs/dbraw/zinc/95/79/94/418957994.db2.gz GKTZJHGKFJMUIV-UHFFFAOYSA-N 0 3 275.396 3.320 20 30 CGEDHN C=CCN(CCO[C@@H]1CC1(F)F)Cc1ccccc1 ZINC000659824123 419003220 /nfs/dbraw/zinc/00/32/20/419003220.db2.gz ZHUWUJHSNAMWTH-CQSZACIVSA-N 0 3 267.319 3.099 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)Cc1ccccn1 ZINC000655842395 419115279 /nfs/dbraw/zinc/11/52/79/419115279.db2.gz BEZRNHLYNYYVSM-HNNXBMFYSA-N 0 3 282.387 3.367 20 30 CGEDHN CCC#C[C@@H](C)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660719067 419185903 /nfs/dbraw/zinc/18/59/03/419185903.db2.gz XGLZHPAJEZUWQY-OAHLLOKOSA-N 0 3 286.423 3.140 20 30 CGEDHN C=CCCn1cc(CNC[C@@H](CC)c2ccccc2)nn1 ZINC000657292070 419243889 /nfs/dbraw/zinc/24/38/89/419243889.db2.gz GPHOCKUTOOWBKM-OAHLLOKOSA-N 0 3 284.407 3.138 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000661378884 419254913 /nfs/dbraw/zinc/25/49/13/419254913.db2.gz NSNXSBREOFJMOV-UONOGXRCSA-N 0 3 292.448 3.041 20 30 CGEDHN C=CCOCCNCc1ccc(C(F)(F)F)c(C)c1 ZINC000666356108 419210424 /nfs/dbraw/zinc/21/04/24/419210424.db2.gz KROJBPDJUSMRCS-UHFFFAOYSA-N 0 3 273.298 3.306 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2c(C)cccc2C)C1=O ZINC000661135431 419234597 /nfs/dbraw/zinc/23/45/97/419234597.db2.gz BVPSLJRZAHJQLH-SJORKVTESA-N 0 3 298.430 3.227 20 30 CGEDHN C=C(CC)CNCc1cc(F)ccc1OC(F)F ZINC000657483818 419290198 /nfs/dbraw/zinc/29/01/98/419290198.db2.gz CQFXTMOWVXBJFO-UHFFFAOYSA-N 0 3 259.271 3.483 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OC2CC2)c1F ZINC000657483267 419290319 /nfs/dbraw/zinc/29/03/19/419290319.db2.gz OLDVZWRLWBFKCR-CABCVRRESA-N 0 3 291.366 3.190 20 30 CGEDHN C=CCC1(NCc2ncnn2-c2ccccc2)CCCC1 ZINC000661851411 419304313 /nfs/dbraw/zinc/30/43/13/419304313.db2.gz UPXUQEYHDNYXRB-UHFFFAOYSA-N 0 3 282.391 3.246 20 30 CGEDHN C=CCC1(NCc2ccc(OC)cc2F)CCOCC1 ZINC000657635168 419317263 /nfs/dbraw/zinc/31/72/63/419317263.db2.gz YBHCOTLNTFDAHV-UHFFFAOYSA-N 0 3 279.355 3.049 20 30 CGEDHN C=CCOc1cccc(CNC[C@@H]2CCC[C@H](C)O2)c1 ZINC000657666301 419323400 /nfs/dbraw/zinc/32/34/00/419323400.db2.gz SIJOWYSGMZJGIA-YOEHRIQHSA-N 0 3 275.392 3.299 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000662081548 419333484 /nfs/dbraw/zinc/33/34/84/419333484.db2.gz USWJNHLUVWGVRB-TWMKSMIVSA-N 0 3 290.451 3.349 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C1CCC(C)CC1 ZINC000662078651 419333840 /nfs/dbraw/zinc/33/38/40/419333840.db2.gz IQLJBUMDERDBBQ-BWPPORJPSA-N 0 3 290.451 3.207 20 30 CGEDHN C=CCOc1ccc(CN[C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000657817143 419368655 /nfs/dbraw/zinc/36/86/55/419368655.db2.gz MQIUQIRJGLLQHK-KXBFYZLASA-N 0 3 297.398 3.463 20 30 CGEDHN CC12CC(C1)CN2CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000662385184 419424018 /nfs/dbraw/zinc/42/40/18/419424018.db2.gz MNGJWPGPPMDIPG-UHFFFAOYSA-N 0 3 295.304 3.421 20 30 CGEDHN C=CCC1(NC(=O)c2cc3c(s2)CCNC3)CCCC1 ZINC000662888023 419504081 /nfs/dbraw/zinc/50/40/81/419504081.db2.gz CIHKSKQXWODZFD-UHFFFAOYSA-N 0 3 290.432 3.013 20 30 CGEDHN C=CCN(CCc1ccco1)[C@@H](C)c1ccncc1 ZINC000663693812 419683346 /nfs/dbraw/zinc/68/33/46/419683346.db2.gz XBTFHPANMXHUGP-AWEZNQCLSA-N 0 3 256.349 3.466 20 30 CGEDHN C=CCOCCCN[C@@H](CC)c1ccccc1F ZINC000658209970 419659862 /nfs/dbraw/zinc/65/98/62/419659862.db2.gz MBJIEWKPEPGBPJ-HNNXBMFYSA-N 0 3 251.345 3.459 20 30 CGEDHN CC(C)(C#N)CNC1CCC(OC2CCCC2)CC1 ZINC000449240099 260303925 /nfs/dbraw/zinc/30/39/25/260303925.db2.gz MGQOJGPEZOWNNM-UHFFFAOYSA-N 0 3 264.413 3.396 20 30 CGEDHN N#CCCCCNCc1ccc(Br)cc1F ZINC000163862771 261332709 /nfs/dbraw/zinc/33/27/09/261332709.db2.gz MWIHHWBMTAZAGG-UHFFFAOYSA-N 0 3 285.160 3.372 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000491230841 261380782 /nfs/dbraw/zinc/38/07/82/261380782.db2.gz PKHSRDSUFNGOAZ-LBPRGKRZSA-N 0 3 266.266 3.078 20 30 CGEDHN CCc1ccc([C@H](COC)NCCCC(C)(C)C#N)o1 ZINC000184779517 262029581 /nfs/dbraw/zinc/02/95/81/262029581.db2.gz ZILSXZQJEODICQ-AWEZNQCLSA-N 0 3 278.396 3.449 20 30 CGEDHN CCOc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185781084 262070562 /nfs/dbraw/zinc/07/05/62/262070562.db2.gz DQTRQYCOUOSEGA-DZGCQCFKSA-N 0 3 258.365 3.257 20 30 CGEDHN CCN(CC)C(=O)OC[C@H]1CCCCN1CCCCC#N ZINC000497230544 262118105 /nfs/dbraw/zinc/11/81/05/262118105.db2.gz XPTLJQYQPSHOHK-OAHLLOKOSA-N 0 3 295.427 3.013 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Cn3cccn3)cc2)C1 ZINC000192630647 262206540 /nfs/dbraw/zinc/20/65/40/262206540.db2.gz ZNYWKPPWCJYHEH-ZWKOTPCHSA-N 0 3 294.402 3.103 20 30 CGEDHN C=CCC[C@@H](C(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000365003230 262267058 /nfs/dbraw/zinc/26/70/58/262267058.db2.gz TVAOBYPOXUOBDG-GOSISDBHSA-N 0 3 298.430 3.043 20 30 CGEDHN CC(C)(C#N)CCCCN1CCc2ccc(O)cc2C1 ZINC000336828304 262398099 /nfs/dbraw/zinc/39/80/99/262398099.db2.gz ZZMDQUVKVPYHRS-UHFFFAOYSA-N 0 3 272.392 3.470 20 30 CGEDHN N#CCCCNCc1ccc(OC(F)F)c(Cl)c1 ZINC000273058045 263011813 /nfs/dbraw/zinc/01/18/13/263011813.db2.gz LSANXRIDDUOIQD-UHFFFAOYSA-N 0 3 274.698 3.335 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(N3CCCCC3)nc2)C1 ZINC000274226967 263022180 /nfs/dbraw/zinc/02/21/80/263022180.db2.gz ROCRDDQVLGKRKT-WBVHZDCISA-N 0 3 298.434 3.244 20 30 CGEDHN COc1ccc(OC)c([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000274611818 263027754 /nfs/dbraw/zinc/02/77/54/263027754.db2.gz KIWUTTHAFOEKFU-YNEHKIRRSA-N 0 3 274.364 3.047 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000278724915 263050284 /nfs/dbraw/zinc/05/02/84/263050284.db2.gz VHPMDZPDBFRVKQ-CDHAZOANSA-N 0 3 298.386 3.191 20 30 CGEDHN N#CCCCN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000279248585 263054037 /nfs/dbraw/zinc/05/40/37/263054037.db2.gz LACXTKRFIWXXFT-UHFFFAOYSA-N 0 3 276.355 3.110 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)[C@@](C)(C#N)CC)c1 ZINC000284982561 263089007 /nfs/dbraw/zinc/08/90/07/263089007.db2.gz BTARKSVCGBFCMM-QGZVFWFLSA-N 0 3 287.407 3.407 20 30 CGEDHN Cc1noc(C)c1C(C)(C)NCCCC(C)(C)C#N ZINC000285848647 263096016 /nfs/dbraw/zinc/09/60/16/263096016.db2.gz XTCSZHTUUWSOQF-UHFFFAOYSA-N 0 3 263.385 3.446 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c(C)c1OC ZINC000285930292 263096524 /nfs/dbraw/zinc/09/65/24/263096524.db2.gz CVOUQYWAKJZUDI-MJBXVCDLSA-N 0 3 288.391 3.355 20 30 CGEDHN COc1ccccc1O[C@H]1CCCN(CCCCC#N)C1 ZINC000286331169 263098007 /nfs/dbraw/zinc/09/80/07/263098007.db2.gz FXZTZISQWBKWQL-HNNXBMFYSA-N 0 3 288.391 3.232 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)C(C)(C)OC ZINC000340239459 263099418 /nfs/dbraw/zinc/09/94/18/263099418.db2.gz OQBOURUJFSRNLW-ZDUSSCGKSA-N 0 3 263.381 3.155 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000194052493 263111439 /nfs/dbraw/zinc/11/14/39/263111439.db2.gz RNXSHLPWNSPIDJ-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN CC(C)(C#N)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292142796 263128870 /nfs/dbraw/zinc/12/88/70/263128870.db2.gz MPHHWRGIOYWKDO-UHFFFAOYSA-N 0 3 275.352 3.359 20 30 CGEDHN CC(C)O[C@H](CN1CCC(C#N)CC1)c1ccccc1 ZINC000292157146 263129237 /nfs/dbraw/zinc/12/92/37/263129237.db2.gz KCUCJFHKRCJZHV-QGZVFWFLSA-N 0 3 272.392 3.388 20 30 CGEDHN C=CCOc1cccc(CNCCc2ccco2)c1 ZINC000340412983 263137906 /nfs/dbraw/zinc/13/79/06/263137906.db2.gz YZPNNJMIUIIAPJ-UHFFFAOYSA-N 0 3 257.333 3.177 20 30 CGEDHN CC(C)(NCCOCCC#N)c1cccc(Cl)c1F ZINC000294697636 263166333 /nfs/dbraw/zinc/16/63/33/263166333.db2.gz UGRJLRCXHVXBPM-UHFFFAOYSA-N 0 3 284.762 3.234 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cn1 ZINC000296465914 263191941 /nfs/dbraw/zinc/19/19/41/263191941.db2.gz NMWFHNMOYCKGSU-MDZLAQPJSA-N 0 3 263.772 3.468 20 30 CGEDHN C[C@H](CCC#N)N(C)Cc1ccccc1N1CCCC1 ZINC000297805050 263209690 /nfs/dbraw/zinc/20/96/90/263209690.db2.gz ICJCVIYPISIKSX-OAHLLOKOSA-N 0 3 271.408 3.411 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC(c2ccncn2)CC1 ZINC000298030318 263214114 /nfs/dbraw/zinc/21/41/14/263214114.db2.gz CCJXYLPMLOSDCA-UHFFFAOYSA-N 0 3 286.423 3.376 20 30 CGEDHN C[C@H](CCC#N)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000298557475 263222098 /nfs/dbraw/zinc/22/20/98/263222098.db2.gz OZRFZFXCPJSFGR-KCPJHIHWSA-N 0 3 278.783 3.452 20 30 CGEDHN Cc1cccc(CC2(O)CCN([C@H](C)CCC#N)CC2)c1 ZINC000298574787 263222525 /nfs/dbraw/zinc/22/25/25/263222525.db2.gz QQJPNIIGNJZDKI-MRXNPFEDSA-N 0 3 286.419 3.057 20 30 CGEDHN COc1ccc([C@@H](N[C@H](C)CCC#N)C2CC2)cc1 ZINC000299103154 263230124 /nfs/dbraw/zinc/23/01/24/263230124.db2.gz VAKVYGJHXOHBES-WBMJQRKESA-N 0 3 258.365 3.428 20 30 CGEDHN COCc1ccc([C@H]2CCCN2[C@@H](C)CCC#N)o1 ZINC000299241718 263236344 /nfs/dbraw/zinc/23/63/44/263236344.db2.gz JEHMHHCRHZKSEW-GXTWGEPZSA-N 0 3 262.353 3.255 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccccc1SC ZINC000453335517 263240623 /nfs/dbraw/zinc/24/06/23/263240623.db2.gz AHLQHBJYJGEJBY-OLZOCXBDSA-N 0 3 265.422 3.386 20 30 CGEDHN CCc1ccc(CN2CCC(C#N)(COC)CC2)cc1 ZINC000341993228 263382402 /nfs/dbraw/zinc/38/24/02/263382402.db2.gz OYNYIOQHYRTPGQ-UHFFFAOYSA-N 0 3 272.392 3.001 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CCC)CCN1CCCC1 ZINC000342194592 263398390 /nfs/dbraw/zinc/39/83/90/263398390.db2.gz PRSFCOOLVGYFQB-UHFFFAOYSA-N 0 3 278.440 3.089 20 30 CGEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000331210599 264162567 /nfs/dbraw/zinc/16/25/67/264162567.db2.gz XRMLOWMWGQEARX-OIISXLGYSA-N 0 3 284.403 3.454 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(C3CC3)cc2F)C1 ZINC000425961465 264227602 /nfs/dbraw/zinc/22/76/02/264227602.db2.gz SWUKRPWPIHIRAV-ABAIWWIYSA-N 0 3 258.340 3.485 20 30 CGEDHN CCCO[C@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000160108237 264238070 /nfs/dbraw/zinc/23/80/70/264238070.db2.gz MMEKRFIGISSQTL-SFHVURJKSA-N 0 3 289.394 3.458 20 30 CGEDHN C=CC[C@H](CC)NCc1cnc([C@H]2CCCO2)s1 ZINC000281404959 264485394 /nfs/dbraw/zinc/48/53/94/264485394.db2.gz PUXJHUIXKVJCIV-WCQYABFASA-N 0 3 266.410 3.439 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](CC)c2ccc(Cl)cc2)C1=O ZINC000281987555 264491714 /nfs/dbraw/zinc/49/17/14/264491714.db2.gz MNKLCYGDKZIDPF-CABCVRRESA-N 0 3 292.810 3.168 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2CN2CCCCC2)s1 ZINC000125868159 270051725 /nfs/dbraw/zinc/05/17/25/270051725.db2.gz ZTKDGGWPWKPASH-CQSZACIVSA-N 0 3 289.448 3.070 20 30 CGEDHN C=CCCCCCN(C)Cc1cccc(C(=O)OC)n1 ZINC000518957175 265247390 /nfs/dbraw/zinc/24/73/90/265247390.db2.gz IYSXYXWISOWEPF-UHFFFAOYSA-N 0 3 276.380 3.046 20 30 CGEDHN CC[C@@H](NCCOc1ncccc1F)c1ccc(C#N)cc1 ZINC000278623954 270091541 /nfs/dbraw/zinc/09/15/41/270091541.db2.gz GJUZZVQYVQMSMT-MRXNPFEDSA-N 0 3 299.349 3.212 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cn1)[C@@H]1CCC[C@H](C)C1 ZINC000521062878 270100144 /nfs/dbraw/zinc/10/01/44/270100144.db2.gz BWIZPGYNRHPSSL-KCQAQPDRSA-N 0 3 257.381 3.258 20 30 CGEDHN C=CCCCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000514659211 266030096 /nfs/dbraw/zinc/03/00/96/266030096.db2.gz VZTCQIXAARWGTJ-GOSISDBHSA-N 0 3 285.387 3.453 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H](C)CN2CCCCCC2)CC1 ZINC000356815430 266179540 /nfs/dbraw/zinc/17/95/40/266179540.db2.gz MEXQYDNZKYLFOG-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000356893577 266207260 /nfs/dbraw/zinc/20/72/60/266207260.db2.gz JZDFJEIMWZFLFU-DTWKUNHWSA-N 0 3 270.254 3.042 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000356960388 266219593 /nfs/dbraw/zinc/21/95/93/266219593.db2.gz IYKPZRHFIFMBCW-KBPBESRZSA-N 0 3 257.381 3.333 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000356960391 266219744 /nfs/dbraw/zinc/21/97/44/266219744.db2.gz IYKPZRHFIFMBCW-ZIAGYGMSSA-N 0 3 257.381 3.333 20 30 CGEDHN C=CCN(Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000357552333 266321893 /nfs/dbraw/zinc/32/18/93/266321893.db2.gz MCWXDCUYSONRPK-GOSISDBHSA-N 0 3 287.403 3.395 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000357804862 266367026 /nfs/dbraw/zinc/36/70/26/266367026.db2.gz RJTWAEOAZJBROG-PBHICJAKSA-N 0 3 278.355 3.246 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)o1 ZINC000527749514 270134152 /nfs/dbraw/zinc/13/41/52/270134152.db2.gz MJSPGLBQSSETCC-ARFHVFGLSA-N 0 3 284.746 3.233 20 30 CGEDHN C=C(CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000360214538 266694038 /nfs/dbraw/zinc/69/40/38/266694038.db2.gz WMDNZMBRBUZTLN-JYJNAYRXSA-N 0 3 286.419 3.077 20 30 CGEDHN CCO[C@@]1(C)C[C@H]1N[C@@H](CC)c1ccc(C#N)cc1 ZINC000527978820 267155259 /nfs/dbraw/zinc/15/52/59/267155259.db2.gz MQLRZGIVVVRADR-XHSDSOJGSA-N 0 3 258.365 3.166 20 30 CGEDHN C=CCCCCCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000377045211 268043231 /nfs/dbraw/zinc/04/32/31/268043231.db2.gz JOAITCWCYDXQPW-MRXNPFEDSA-N 0 3 293.455 3.003 20 30 CGEDHN N#Cc1ccc(CNCC2CCC(C#N)CC2)c(F)c1 ZINC000282410562 268072924 /nfs/dbraw/zinc/07/29/24/268072924.db2.gz QFTRCJNCZFSKRB-UHFFFAOYSA-N 0 3 271.339 3.117 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000429706710 269558445 /nfs/dbraw/zinc/55/84/45/269558445.db2.gz HBOUQOAHIDMYNX-OAHLLOKOSA-N 0 3 271.408 3.059 20 30 CGEDHN COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000353238207 274111287 /nfs/dbraw/zinc/11/12/87/274111287.db2.gz GNPYYEQWGZGRFW-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000344087242 276920696 /nfs/dbraw/zinc/92/06/96/276920696.db2.gz HNWVNBHHSPSPJS-HTWSVDAQSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@H](c1ccc(C#N)c(F)c1)N1CCC[C@@]2(CCOC2)C1 ZINC000334531894 278305835 /nfs/dbraw/zinc/30/58/35/278305835.db2.gz XZELXVRPFOWPDA-CXAGYDPISA-N 0 3 288.366 3.261 20 30 CGEDHN C[C@@H](N[C@H](C)c1cc[nH]c(=O)c1)c1ccc(C#N)cc1 ZINC000340448134 278379461 /nfs/dbraw/zinc/37/94/61/278379461.db2.gz GICLMFICXJTPEF-VXGBXAGGSA-N 0 3 267.332 3.071 20 30 CGEDHN C[C@@H]1CCC[C@@H](NCc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1C ZINC000459415784 278501344 /nfs/dbraw/zinc/50/13/44/278501344.db2.gz XEZNIXPHVHACMK-LALPHHSUSA-N 0 3 287.363 3.381 20 30 CGEDHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@H]1CCC[C@H](C#N)C1 ZINC000348334256 279062007 /nfs/dbraw/zinc/06/20/07/279062007.db2.gz OROXTPUSISGOLR-XALPAYFRSA-N 0 3 274.339 3.320 20 30 CGEDHN COc1ccc(CNCc2cccc(C#N)c2)c(C)c1 ZINC000532477083 288364040 /nfs/dbraw/zinc/36/40/40/288364040.db2.gz SWBUXOKOMMQIIQ-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000336549221 289235614 /nfs/dbraw/zinc/23/56/14/289235614.db2.gz XPDNFIHTUDOQIM-BXUZGUMPSA-N 0 3 260.312 3.039 20 30 CGEDHN C[C@H](Cn1cccn1)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360650550 289754489 /nfs/dbraw/zinc/75/44/89/289754489.db2.gz YJBIFWWMZPFDOA-KDOFPFPSSA-N 0 3 294.402 3.201 20 30 CGEDHN C[C@H](c1ccc(C#N)c(F)c1)N1CCC[C@]2(CCOC2)C1 ZINC000334531895 290217846 /nfs/dbraw/zinc/21/78/46/290217846.db2.gz XZELXVRPFOWPDA-DYVFJYSZSA-N 0 3 288.366 3.261 20 30 CGEDHN CCC[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)OC ZINC000293543902 328103179 /nfs/dbraw/zinc/10/31/79/328103179.db2.gz AYBYRYOUDHGVBM-CJNGLKHVSA-N 0 3 276.380 3.055 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1 ZINC000161103425 328131753 /nfs/dbraw/zinc/13/17/53/328131753.db2.gz GTOHMWGSXDQBJV-VXGBXAGGSA-N 0 3 280.799 3.469 20 30 CGEDHN CCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274243295 328210173 /nfs/dbraw/zinc/21/01/73/328210173.db2.gz WVXGUSFGJSZIGK-CABCVRRESA-N 0 3 258.365 3.257 20 30 CGEDHN CCOc1ccccc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000274636374 328212229 /nfs/dbraw/zinc/21/22/29/328212229.db2.gz PZTFTWAQCFDEJO-MJBXVCDLSA-N 0 3 258.365 3.428 20 30 CGEDHN CCOc1cccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000274672937 328212726 /nfs/dbraw/zinc/21/27/26/328212726.db2.gz YGYCEHSLAYFSSU-GZBFAFLISA-N 0 3 258.365 3.428 20 30 CGEDHN COc1cc(C)c(CN(C)[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000278595937 328227956 /nfs/dbraw/zinc/22/79/56/328227956.db2.gz LOQVKAGGCRXKAS-ZFWWWQNUSA-N 0 3 288.391 3.136 20 30 CGEDHN CC1(C)C[C@H](O)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000295203626 328285400 /nfs/dbraw/zinc/28/54/00/328285400.db2.gz CKDIGPOAVNDGKD-MRXNPFEDSA-N 0 3 291.822 3.174 20 30 CGEDHN C=C(C)CNCc1cccc(OCC)c1OC(F)F ZINC000119649794 328307567 /nfs/dbraw/zinc/30/75/67/328307567.db2.gz SCIAVBBGQAYZQT-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564211508 322023227 /nfs/dbraw/zinc/02/32/27/322023227.db2.gz KWKBRNGTWBKWOJ-XJKSGUPXSA-N 0 3 297.406 3.002 20 30 CGEDHN N#Cc1cccc(CNCc2cccc3c2CCCN3)c1 ZINC000566300571 322114290 /nfs/dbraw/zinc/11/42/90/322114290.db2.gz NGCCCPMAFIALAS-UHFFFAOYSA-N 0 3 277.371 3.206 20 30 CGEDHN C=CCN[C@H](C)c1ccc(Br)cc1OC ZINC000190456042 328490309 /nfs/dbraw/zinc/49/03/09/328490309.db2.gz SMUQUHYOTCIGLA-SECBINFHSA-N 0 3 270.170 3.294 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000289978215 328527785 /nfs/dbraw/zinc/52/77/85/328527785.db2.gz XTJQYPULFUYGPD-TZMCWYRMSA-N 0 3 265.422 3.385 20 30 CGEDHN CC(C)(CO)[C@@H](NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000293088410 328543213 /nfs/dbraw/zinc/54/32/13/328543213.db2.gz PGKNJWAYLZOKGV-INIZCTEOSA-N 0 3 291.822 3.078 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2c(CC)cccc2CC)CC1 ZINC000068918506 327016722 /nfs/dbraw/zinc/01/67/22/327016722.db2.gz KRQYHUGZNZMNJE-UHFFFAOYSA-N 0 3 298.430 3.095 20 30 CGEDHN C=CCOCCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000559106943 327141835 /nfs/dbraw/zinc/14/18/35/327141835.db2.gz PEOOPQOSHFTSOY-CJNGLKHVSA-N 0 3 263.356 3.411 20 30 CGEDHN C=CCC[C@H](NCC(=O)N(CC)CC)c1ccccc1 ZINC000159934250 327579611 /nfs/dbraw/zinc/57/96/11/327579611.db2.gz OHBTVGMOPRVLNC-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCCCNCc1c(F)cccc1N1CCCC1 ZINC000583673824 328847640 /nfs/dbraw/zinc/84/76/40/328847640.db2.gz HMHUMPXRUUXHII-UHFFFAOYSA-N 0 3 262.372 3.482 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2ccccc2n1CC ZINC000582294519 328951774 /nfs/dbraw/zinc/95/17/74/328951774.db2.gz QLQIZSZRIASIGL-KSSFIOAISA-N 0 3 299.418 3.127 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)(C)C ZINC000582609093 329116039 /nfs/dbraw/zinc/11/60/39/329116039.db2.gz NNLAFZGJOKRMKX-UHFFFAOYSA-N 0 3 275.352 3.334 20 30 CGEDHN COCC(C)(C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000429249420 329165838 /nfs/dbraw/zinc/16/58/38/329165838.db2.gz RKLYSMSJVCZXLB-UHFFFAOYSA-N 0 3 265.784 3.048 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2ccccc2F)CC1 ZINC000177904276 329190163 /nfs/dbraw/zinc/19/01/63/329190163.db2.gz KXLQTDDCLWOSTL-ZDUSSCGKSA-N 0 3 262.372 3.127 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000184953775 329266021 /nfs/dbraw/zinc/26/60/21/329266021.db2.gz JVKPQEXOQNLGCA-MRXNPFEDSA-N 0 3 288.435 3.227 20 30 CGEDHN CO[C@@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000185848090 329333441 /nfs/dbraw/zinc/33/34/41/329333441.db2.gz YNQWOLUKTUPRFG-RCBQFDQVSA-N 0 3 276.355 3.185 20 30 CGEDHN C=C(C)[C@@H](N[C@H](C)COC)c1ccc(F)c(F)c1 ZINC000186452880 329342755 /nfs/dbraw/zinc/34/27/55/329342755.db2.gz JYSGJUZKYZKOGM-QMTHXVAHSA-N 0 3 255.308 3.207 20 30 CGEDHN N#CCC1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000397242853 329345987 /nfs/dbraw/zinc/34/59/87/329345987.db2.gz YVGDHVSITAGWBC-UHFFFAOYSA-N 0 3 254.377 3.301 20 30 CGEDHN C#CCOc1ccccc1CNCc1cc(C)c(C)cc1O ZINC000266241959 330063807 /nfs/dbraw/zinc/06/38/07/330063807.db2.gz XHKFEOSOVSMVEM-UHFFFAOYSA-N 0 3 295.382 3.311 20 30 CGEDHN C=CCOc1ccccc1CNCC(C)(C)COC ZINC000336809184 330066814 /nfs/dbraw/zinc/06/68/14/330066814.db2.gz DTYWAAJSTNSAQG-UHFFFAOYSA-N 0 3 263.381 3.014 20 30 CGEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000191295390 330137430 /nfs/dbraw/zinc/13/74/30/330137430.db2.gz TXQNAGSAFMEHRN-KZULUSFZSA-N 0 3 297.377 3.449 20 30 CGEDHN Cc1ncccc1CNCc1cccc(OCCCC#N)c1 ZINC000527793670 330283581 /nfs/dbraw/zinc/28/35/81/330283581.db2.gz LYNCSAIXWVQBBO-UHFFFAOYSA-N 0 3 295.386 3.362 20 30 CGEDHN CC(C)CCn1cccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424188755 330322105 /nfs/dbraw/zinc/32/21/05/330322105.db2.gz CHBSNJFBISQIJL-LSDHHAIUSA-N 0 3 259.397 3.316 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Oc3cnccn3)cc2)C1 ZINC000424190335 330322964 /nfs/dbraw/zinc/32/29/64/330322964.db2.gz GBIIGXAKRGLPHV-CABCVRRESA-N 0 3 294.358 3.051 20 30 CGEDHN C=CCn1cc(CN[C@H](CCc2ccccc2)C(C)C)nn1 ZINC000424301273 330337865 /nfs/dbraw/zinc/33/78/65/330337865.db2.gz ZPRJBHNQHJVVJS-GOSISDBHSA-N 0 3 298.434 3.211 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000424323297 330340541 /nfs/dbraw/zinc/34/05/41/330340541.db2.gz IXTWMCFLRJLJRM-HBNTYKKESA-N 0 3 282.409 3.181 20 30 CGEDHN CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cn1 ZINC000424327558 330341725 /nfs/dbraw/zinc/34/17/25/330341725.db2.gz MVUQVFVGBKWTTG-NJZAAPMLSA-N 0 3 261.344 3.200 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC)cc1 ZINC000424332366 330342647 /nfs/dbraw/zinc/34/26/47/330342647.db2.gz SVUAARWOJGUNNZ-JGGQBBKZSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000121041084 330395407 /nfs/dbraw/zinc/39/54/07/330395407.db2.gz BJLGTRKBBIZFHB-HOTGVXAUSA-N 0 3 288.435 3.459 20 30 CGEDHN N#CCC1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000430736462 330571934 /nfs/dbraw/zinc/57/19/34/330571934.db2.gz DQUKJIBFFNCWNI-HNNXBMFYSA-N 0 3 285.347 3.256 20 30 CGEDHN COc1cc(C)c([C@H](C)NCC2(CC#N)CC2)cc1OC ZINC000430742192 330572289 /nfs/dbraw/zinc/57/22/89/330572289.db2.gz OFFVKRHKAQDCOI-ZDUSSCGKSA-N 0 3 288.391 3.357 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cc(F)cc(F)c1 ZINC000430741547 330572298 /nfs/dbraw/zinc/57/22/98/330572298.db2.gz JJHQDQPFBUEMCU-JTQLQIEISA-N 0 3 250.292 3.309 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000448919420 330888142 /nfs/dbraw/zinc/88/81/42/330888142.db2.gz ASJBBOMHLWSETN-OWCLPIDISA-N 0 3 292.467 3.215 20 30 CGEDHN C[C@]1(F)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000452578072 331069521 /nfs/dbraw/zinc/06/95/21/331069521.db2.gz NVSLCJBMBXJCGT-WBVHZDCISA-N 0 3 288.366 3.110 20 30 CGEDHN C[C@@H](NCCCCC#N)c1ncc(-c2ccccc2)n1C ZINC000453116115 331090755 /nfs/dbraw/zinc/09/07/55/331090755.db2.gz XTDMBGPKEFCNAR-CQSZACIVSA-N 0 3 282.391 3.432 20 30 CGEDHN C=CC(C)(C)CN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000453307993 331114279 /nfs/dbraw/zinc/11/42/79/331114279.db2.gz MJCRAGKZKFZNFU-MRXNPFEDSA-N 0 3 287.382 3.450 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000453346432 331120110 /nfs/dbraw/zinc/12/01/10/331120110.db2.gz ICKWYAHMXSXXNU-WCQYABFASA-N 0 3 283.799 3.326 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)cc1F ZINC000453361198 331122572 /nfs/dbraw/zinc/12/25/72/331122572.db2.gz QLHGCHAYSIOFLK-XZJROXQQSA-N 0 3 279.355 3.219 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2c1c(F)ccc2F ZINC000453379316 331125601 /nfs/dbraw/zinc/12/56/01/331125601.db2.gz YZNINYSITIUFAO-KFWWJZLASA-N 0 3 279.330 3.275 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000453451745 331132476 /nfs/dbraw/zinc/13/24/76/331132476.db2.gz RTPUGTCFGSILOD-HIFRSBDPSA-N 0 3 289.423 3.442 20 30 CGEDHN C=CCC1(NC(=O)NCC2(N(C)C)CCC2)CCCCC1 ZINC000458681860 331256962 /nfs/dbraw/zinc/25/69/62/331256962.db2.gz KNQDVUKWBCMWRP-UHFFFAOYSA-N 0 3 293.455 3.049 20 30 CGEDHN CC(C)(CC#N)CNCc1cccc2c1OC(C)(C)C2 ZINC000459728824 331296223 /nfs/dbraw/zinc/29/62/23/331296223.db2.gz IZVGUSJHLGONFK-UHFFFAOYSA-N 0 3 272.392 3.430 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1ccccc1F ZINC000166165224 331306719 /nfs/dbraw/zinc/30/67/19/331306719.db2.gz LKRAURLDIWURLP-OAHLLOKOSA-N 0 3 251.345 3.459 20 30 CGEDHN CC#CCCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000462310811 331318963 /nfs/dbraw/zinc/31/89/63/331318963.db2.gz HKOJGYYPTOVNCG-INIZCTEOSA-N 0 3 259.418 3.498 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462876900 331333636 /nfs/dbraw/zinc/33/36/36/331333636.db2.gz YDZWDJNEKSURRJ-HDMKZQKVSA-N 0 3 288.435 3.266 20 30 CGEDHN CCN(CC#Cc1ccc(Cl)cc1)C[C@H](C)OC ZINC000463411630 331347151 /nfs/dbraw/zinc/34/71/51/331347151.db2.gz FFVDIMISYQTKER-ZDUSSCGKSA-N 0 3 265.784 3.048 20 30 CGEDHN C=CCCCNCc1cc(C(=O)OC)ccc1Cl ZINC000482452933 331833108 /nfs/dbraw/zinc/83/31/08/331833108.db2.gz BGYZQSPCVOLRDE-UHFFFAOYSA-N 0 3 267.756 3.182 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC#Cc1ccccc1 ZINC000483683583 331881728 /nfs/dbraw/zinc/88/17/28/331881728.db2.gz MHNPOFDFNLALMT-ROUUACIJSA-N 0 3 271.404 3.221 20 30 CGEDHN CCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1F ZINC000487562563 331974604 /nfs/dbraw/zinc/97/46/04/331974604.db2.gz SPKDQKNBXYEPGJ-YPMHNXCESA-N 0 3 262.328 3.006 20 30 CGEDHN C=CC1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000490072512 332080027 /nfs/dbraw/zinc/08/00/27/332080027.db2.gz NJDZLBPHDPRFLI-UHFFFAOYSA-N 0 3 251.320 3.405 20 30 CGEDHN C#CCN(Cc1cnn(CC(F)(F)F)c1)C1CCCCC1 ZINC000490899841 332127478 /nfs/dbraw/zinc/12/74/78/332127478.db2.gz PZNJQCGLDCLRHE-UHFFFAOYSA-N 0 3 299.340 3.213 20 30 CGEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccccc1Cl ZINC000491525700 332230340 /nfs/dbraw/zinc/23/03/40/332230340.db2.gz UPNLWCMHAIWLFE-UHFFFAOYSA-N 0 3 278.783 3.012 20 30 CGEDHN C#C[C@H](N[C@H](C)[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000491618968 332245383 /nfs/dbraw/zinc/24/53/83/332245383.db2.gz BLWLCBXPIXFSTH-KYOSRNDESA-N 0 3 263.768 3.029 20 30 CGEDHN C#C[C@@H](NCc1cnc(-c2ccncc2)s1)C(C)(C)C ZINC000491653056 332265679 /nfs/dbraw/zinc/26/56/79/332265679.db2.gz CFCUSNOBVDAHRJ-CQSZACIVSA-N 0 3 285.416 3.343 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CCCCC1)C(C)C ZINC000496013098 332536278 /nfs/dbraw/zinc/53/62/78/332536278.db2.gz GYNURYGZIUARBS-QGZVFWFLSA-N 0 3 292.467 3.382 20 30 CGEDHN CCC[C@@]1(NCC#Cc2ccccc2Cl)CCOC1 ZINC000512286261 332961381 /nfs/dbraw/zinc/96/13/81/332961381.db2.gz NRKCFEPGYWGPSO-MRXNPFEDSA-N 0 3 277.795 3.240 20 30 CGEDHN CCN(CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177235754 333055757 /nfs/dbraw/zinc/05/57/57/333055757.db2.gz QADYUCVYJQZEJA-UHFFFAOYSA-N 0 3 255.283 3.399 20 30 CGEDHN C[C@H](C#N)CNC1CCC(OC2CCCC2)CC1 ZINC000517282295 333096953 /nfs/dbraw/zinc/09/69/53/333096953.db2.gz URJOTYKCSCEPJD-DNOWBOINSA-N 0 3 250.386 3.006 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000185295513 333138386 /nfs/dbraw/zinc/13/83/86/333138386.db2.gz NYTXHXKQIMWWRW-WBVHZDCISA-N 0 3 288.435 3.316 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cnn(C(C)C)c1C ZINC000191380836 333219028 /nfs/dbraw/zinc/21/90/28/333219028.db2.gz VUVKDWHPIMORDT-ZDUSSCGKSA-N 0 3 265.401 3.016 20 30 CGEDHN Cc1cccc(C2(CNC(=O)C(C)C#N)CCCCC2)c1 ZINC000522983826 333303079 /nfs/dbraw/zinc/30/30/79/333303079.db2.gz KPYPABKKDLJRGI-OAHLLOKOSA-N 0 3 284.403 3.473 20 30 CGEDHN CC(C)(C)[C@H]1OCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000174408287 335153911 /nfs/dbraw/zinc/15/39/11/335153911.db2.gz ALGFDJZPHQCKQW-WFASDCNBSA-N 0 3 276.380 3.082 20 30 CGEDHN CC(C)CN(CC(=O)N[C@](C)(C#N)C(C)C)CC(C)(C)C ZINC000134463990 334091339 /nfs/dbraw/zinc/09/13/39/334091339.db2.gz IAJRFYHDLLBSQD-QGZVFWFLSA-N 0 3 295.471 3.045 20 30 CGEDHN CC(C)N(CCC#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000549084645 334185033 /nfs/dbraw/zinc/18/50/33/334185033.db2.gz HITJUBOUXOKZGI-UHFFFAOYSA-N 0 3 299.418 3.047 20 30 CGEDHN CCCC[C@@H](C)N(CCCC)CC(=O)NC1(C#N)CCC1 ZINC000550371774 334221206 /nfs/dbraw/zinc/22/12/06/334221206.db2.gz JSRMNYZQALDVFK-OAHLLOKOSA-N 0 3 293.455 3.230 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc3[nH]cnc3c2)cc1 ZINC000552174227 334299076 /nfs/dbraw/zinc/29/90/76/334299076.db2.gz PUTGUVYXZRIFKG-UHFFFAOYSA-N 0 3 293.370 3.418 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc3nc[nH]c3c2)cc1 ZINC000552174227 334299077 /nfs/dbraw/zinc/29/90/77/334299077.db2.gz PUTGUVYXZRIFKG-UHFFFAOYSA-N 0 3 293.370 3.418 20 30 CGEDHN COC(=O)c1cccc(CN[C@@H]2CC3CCC2CC3)c1C#N ZINC000576574218 335220274 /nfs/dbraw/zinc/22/02/74/335220274.db2.gz DIICJLQHOBEUEH-QWQCLYJRSA-N 0 3 298.386 3.013 20 30 CGEDHN C=CCCCCN(CCNC(C)=O)Cc1ccsc1 ZINC000577467936 335355644 /nfs/dbraw/zinc/35/56/44/335355644.db2.gz FFVBKFOZNWWXMG-UHFFFAOYSA-N 0 3 280.437 3.043 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)cs1)c1ccncc1 ZINC000177705323 335380142 /nfs/dbraw/zinc/38/01/42/335380142.db2.gz GSAPYPSTXKUTOO-CQSZACIVSA-N 0 3 257.362 3.256 20 30 CGEDHN C=CCCCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000577887588 335417667 /nfs/dbraw/zinc/41/76/67/335417667.db2.gz WTZPVUFLECFOBG-UHFFFAOYSA-N 0 3 273.380 3.158 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000182344793 335812061 /nfs/dbraw/zinc/81/20/61/335812061.db2.gz LDQVAPGEJSKEDX-PBHICJAKSA-N 0 3 286.419 3.341 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)CNC2)c1ccc(C#N)cc1F ZINC000423370682 533924507 /nfs/dbraw/zinc/92/45/07/533924507.db2.gz FUPFHFKTQRUORJ-LBPRGKRZSA-N 0 3 295.361 3.151 20 30 CGEDHN C[C@@H](CNCc1cccc(C#N)c1)Oc1ccccc1 ZINC000073006106 534062338 /nfs/dbraw/zinc/06/23/38/534062338.db2.gz VKDGFNBBXFZTTM-AWEZNQCLSA-N 0 3 266.344 3.115 20 30 CGEDHN C[C@@H](CNc1c(C#N)cccc1C#N)N1CCCC[C@@H]1C ZINC000436309474 534086317 /nfs/dbraw/zinc/08/63/17/534086317.db2.gz SGDWULPPPFSTAA-KBPBESRZSA-N 0 3 282.391 3.105 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cnccc2C#N)C1 ZINC000359485869 534109503 /nfs/dbraw/zinc/10/95/03/534109503.db2.gz HSHLLEGIIHRDQM-WMLDXEAASA-N 0 3 292.386 3.201 20 30 CGEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(C)n1 ZINC000421203486 518187267 /nfs/dbraw/zinc/18/72/67/518187267.db2.gz QENZXXYMGXIIGP-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(Cl)cc1Cl ZINC000184271561 519117525 /nfs/dbraw/zinc/11/75/25/519117525.db2.gz APJSFGRGEQQQHC-LLVKDONJSA-N 0 3 260.164 3.020 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C#N)cc1 ZINC000037652424 525450298 /nfs/dbraw/zinc/45/02/98/525450298.db2.gz BTOVTTOTHJFLOJ-ZDUSSCGKSA-N 0 3 278.355 3.344 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000037748885 525453224 /nfs/dbraw/zinc/45/32/24/525453224.db2.gz DPTBQGOAXNSSBB-AWEZNQCLSA-N 0 3 279.387 3.475 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](c1cc(F)ccc1F)C(C)C ZINC000479400608 527082747 /nfs/dbraw/zinc/08/27/47/527082747.db2.gz AQJRERLBPNKSCN-WBMJQRKESA-N 0 3 283.362 3.436 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000344309026 527082916 /nfs/dbraw/zinc/08/29/16/527082916.db2.gz UNFLPDWLUSLJGF-QWHCGFSZSA-N 0 3 289.375 3.277 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000344309027 527188077 /nfs/dbraw/zinc/18/80/77/527188077.db2.gz UNFLPDWLUSLJGF-STQMWFEESA-N 0 3 289.375 3.277 20 30 CGEDHN C=CCCCN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347359575 527197799 /nfs/dbraw/zinc/19/77/99/527197799.db2.gz WIFCHVGHWVNHJW-GJZGRUSLSA-N 0 3 277.433 3.453 20 30 CGEDHN C=CCCC[C@@H](C)NCc1ncc(CN(C)C)s1 ZINC000352739854 527272789 /nfs/dbraw/zinc/27/27/89/527272789.db2.gz RJDVHORPUAUDFU-GFCCVEGCSA-N 0 3 267.442 3.039 20 30 CGEDHN C=CCC[C@@H](NCCCO[C@H]1CCOC1)c1ccco1 ZINC000356096142 527448016 /nfs/dbraw/zinc/44/80/16/527448016.db2.gz RRZVTVILEFNESL-LSDHHAIUSA-N 0 3 279.380 3.072 20 30 CGEDHN CCC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCCCC1 ZINC000357945088 527753621 /nfs/dbraw/zinc/75/36/21/527753621.db2.gz DRNOSSNNCHRAIU-INIZCTEOSA-N 0 3 299.418 3.035 20 30 CGEDHN CC(C)CN1CCCC[C@@H]1CNc1ncc(C#N)cc1F ZINC000413206252 527967421 /nfs/dbraw/zinc/96/74/21/527967421.db2.gz PMFUKMRDQJIEJK-CQSZACIVSA-N 0 3 290.386 3.015 20 30 CGEDHN CC(C)[C@@H](O)C1(CN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358555507 528611983 /nfs/dbraw/zinc/61/19/83/528611983.db2.gz AKJWHVAGOFNLOU-BLLLJJGKSA-N 0 3 290.382 3.145 20 30 CGEDHN CCN(Cc1ccc2ccccc2c1)C(=O)C(C)C#N ZINC000347063295 528802135 /nfs/dbraw/zinc/80/21/35/528802135.db2.gz HFTAYSKNFVIOMX-ZDUSSCGKSA-N 0 3 266.344 3.348 20 30 CGEDHN CC(C)[C@@H]1N(Cc2cc(C#N)n(C)c2)CC12CCCC2 ZINC000449792177 528811922 /nfs/dbraw/zinc/81/19/22/528811922.db2.gz RZPIZWLVIBWBDD-INIZCTEOSA-N 0 3 271.408 3.297 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000452008347 535753995 /nfs/dbraw/zinc/75/39/95/535753995.db2.gz AVHVMKJAWARJDP-HUUCEWRRSA-N 0 3 278.783 3.259 20 30 CGEDHN CCCCCCCCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000731116193 572395846 /nfs/dbraw/zinc/39/58/46/572395846.db2.gz LGRAPJSXQCJLBN-INIZCTEOSA-N 0 3 297.487 3.378 20 30 CGEDHN C#CCSCCNCc1ccc(OCC(C)C)cc1 ZINC000740015068 572428944 /nfs/dbraw/zinc/42/89/44/572428944.db2.gz SSOQSTANPIJCGQ-UHFFFAOYSA-N 0 3 277.433 3.177 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CC[C@H](C)OC)c([O-])c1 ZINC000726429777 572576651 /nfs/dbraw/zinc/57/66/51/572576651.db2.gz RCCGMDZHGUIURX-IGWPVBGESA-N 0 3 278.396 3.082 20 30 CGEDHN C#CCOc1ccccc1CNCc1cc(C)ccc1O ZINC000734159115 572636719 /nfs/dbraw/zinc/63/67/19/572636719.db2.gz GPFHQGUTTZNDRV-UHFFFAOYSA-N 0 3 281.355 3.002 20 30 CGEDHN C=CC[C@@H](NCc1ccc2[nH]cnc2c1)c1ccncc1 ZINC000734508684 572661720 /nfs/dbraw/zinc/66/17/20/572661720.db2.gz BSERHVMXYGAIFT-OAHLLOKOSA-N 0 3 278.359 3.365 20 30 CGEDHN C=CC[C@@H](NCc1ccc2nc[nH]c2c1)c1ccncc1 ZINC000734508684 572661725 /nfs/dbraw/zinc/66/17/25/572661725.db2.gz BSERHVMXYGAIFT-OAHLLOKOSA-N 0 3 278.359 3.365 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C/C(C)(C)C)C(C)C ZINC000735054580 572698789 /nfs/dbraw/zinc/69/87/89/572698789.db2.gz UQJHKROWCMKINF-SIFUEBAJSA-N 0 3 292.467 3.404 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(F)cc1C)C1CCCCC1 ZINC000746662570 572889472 /nfs/dbraw/zinc/88/94/72/572889472.db2.gz FFQZVUYDECVYKJ-SFHVURJKSA-N 0 3 289.394 3.435 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)CC(C)C ZINC000823915320 608870831 /nfs/dbraw/zinc/87/08/31/608870831.db2.gz UPCSBBQRPDQULR-CQSZACIVSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)CC(C)C ZINC000823915320 608870833 /nfs/dbraw/zinc/87/08/33/608870833.db2.gz UPCSBBQRPDQULR-CQSZACIVSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)CC(C)C ZINC000823915320 608870835 /nfs/dbraw/zinc/87/08/35/608870835.db2.gz UPCSBBQRPDQULR-CQSZACIVSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)CC(C)C ZINC000823915320 608870836 /nfs/dbraw/zinc/87/08/36/608870836.db2.gz UPCSBBQRPDQULR-CQSZACIVSA-N 0 3 299.422 3.289 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621901 613323834 /nfs/dbraw/zinc/32/38/34/613323834.db2.gz HVRWSRNVGGBXAH-WBVHZDCISA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974807272 613338275 /nfs/dbraw/zinc/33/82/75/613338275.db2.gz MBYCEFVNCZGWMF-RBSFLKMASA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)C(C)(C)C(C)(C)C)C2)C1 ZINC000981932782 613676876 /nfs/dbraw/zinc/67/68/76/613676876.db2.gz FEAPIHVNVMRUIJ-UHFFFAOYSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1occc1CC ZINC000969014302 613687416 /nfs/dbraw/zinc/68/74/16/613687416.db2.gz WSYCUYZKFSYMDQ-HNNXBMFYSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccccc2Cl)C[C@@H]1C ZINC000947958032 613754075 /nfs/dbraw/zinc/75/40/75/613754075.db2.gz OPSITOOJPVXBLY-QWHCGFSZSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CC)s2)C[C@H]1C ZINC000947516747 613790602 /nfs/dbraw/zinc/79/06/02/613790602.db2.gz WYDZDEJCLWDFRD-OLZOCXBDSA-N 0 3 292.448 3.079 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H](C)C1 ZINC000945332703 613794425 /nfs/dbraw/zinc/79/44/25/613794425.db2.gz FVMRBIMTBANUES-HIFRSBDPSA-N 0 3 290.407 3.029 20 30 CGEDHN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000255013901 617741642 /nfs/dbraw/zinc/74/16/42/617741642.db2.gz AEOOQVXDPDGBHL-DFBGVHRSSA-N 0 3 292.338 3.143 20 30 CGEDHN C=CCN(Cc1[nH]cc(C(=O)OC)c1C1CC1)C(C)C ZINC000891675370 618245483 /nfs/dbraw/zinc/24/54/83/618245483.db2.gz UGRVYDKDWCXZBG-UHFFFAOYSA-N 0 3 276.380 3.075 20 30 CGEDHN Cc1cc(C#N)nc(NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000891728555 618263839 /nfs/dbraw/zinc/26/38/39/618263839.db2.gz LYCSYAYMYXARFI-AWEZNQCLSA-N 0 3 286.404 3.038 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000892420435 618768228 /nfs/dbraw/zinc/76/82/28/618768228.db2.gz RPXHGVHXHYTOIS-IHRRRGAJSA-N 0 3 293.370 3.186 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CC1CC1 ZINC000311885837 618920601 /nfs/dbraw/zinc/92/06/01/618920601.db2.gz VNTOWGCGLRHILN-GFCCVEGCSA-N 0 3 298.839 3.044 20 30 CGEDHN CCCCCCCNCc1c(Br)cnn1C ZINC000310041822 619066965 /nfs/dbraw/zinc/06/69/65/619066965.db2.gz ZAHXSFBUCXNAQZ-UHFFFAOYSA-N 0 3 288.233 3.243 20 30 CGEDHN C[C@@H]1COC2(CCC2)CN1CCCCC1(C#N)CCC1 ZINC000930967907 619096684 /nfs/dbraw/zinc/09/66/84/619096684.db2.gz RVQUQOWOLVXTRZ-OAHLLOKOSA-N 0 3 276.424 3.494 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001006670505 619149905 /nfs/dbraw/zinc/14/99/05/619149905.db2.gz YEDQOJPGVXJZHY-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN CN(CCCCC1(C#N)CCC1)[C@H]1CCC[C@H]1C#N ZINC000931473870 619178947 /nfs/dbraw/zinc/17/89/47/619178947.db2.gz BXHORUBICIUMHI-GJZGRUSLSA-N 0 3 259.397 3.475 20 30 CGEDHN CS[C@@H](CNCc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000877305593 619379193 /nfs/dbraw/zinc/37/91/93/619379193.db2.gz XZZUKOIOCFWTNH-LBPRGKRZSA-N 0 3 297.855 3.474 20 30 CGEDHN C=CCCCCCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000894833378 619647922 /nfs/dbraw/zinc/64/79/22/619647922.db2.gz SURAPVXVJABVLE-HZPDHXFCSA-N 0 3 293.455 3.001 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CC(CC(F)F)C1 ZINC000895018146 619694331 /nfs/dbraw/zinc/69/43/31/619694331.db2.gz KWGVYOAZOICSEB-UHFFFAOYSA-N 0 3 264.319 3.262 20 30 CGEDHN Cc1ccnc(N)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000895024585 619698657 /nfs/dbraw/zinc/69/86/57/619698657.db2.gz HZIHTOYOFQYKAB-KRWDZBQOSA-N 0 3 292.386 3.011 20 30 CGEDHN N#CC1(CNCCc2ccc(F)c(F)c2)CCCC1 ZINC000895140349 619751009 /nfs/dbraw/zinc/75/10/09/619751009.db2.gz CIOQDIRXLLDIMA-UHFFFAOYSA-N 0 3 264.319 3.181 20 30 CGEDHN Fc1ccc2c(c1)C[C@@H]1[C@H](NCC#Cc3ccccc3)[C@H]21 ZINC000895458464 619832953 /nfs/dbraw/zinc/83/29/53/619832953.db2.gz DWUIOJPKMONIRW-OTWHNJEPSA-N 0 3 277.342 3.105 20 30 CGEDHN Cc1cc(CN2CC(CC3CCOCC3)C2)ccc1C#N ZINC000895614922 619859056 /nfs/dbraw/zinc/85/90/56/619859056.db2.gz DCQIWIITVFDQAV-UHFFFAOYSA-N 0 3 284.403 3.115 20 30 CGEDHN CCOc1ccc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000895785895 619885333 /nfs/dbraw/zinc/88/53/33/619885333.db2.gz KNKUBQUKKXRAHX-UHFFFAOYSA-N 0 3 284.359 3.224 20 30 CGEDHN C=CCC1(O)CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000895835097 619894711 /nfs/dbraw/zinc/89/47/11/619894711.db2.gz ZELQPLOQRFGXQZ-ONEGZZNKSA-N 0 3 293.357 3.381 20 30 CGEDHN Cc1ccc(CNCc2cc(C)c(O)c(C)c2)cc1C#N ZINC000896880690 620083375 /nfs/dbraw/zinc/08/33/75/620083375.db2.gz LEQKYRKVIZARRS-UHFFFAOYSA-N 0 3 280.371 3.479 20 30 CGEDHN CCCCCCCC(=O)OCCN1CCCCC1 ZINC000143284647 620100908 /nfs/dbraw/zinc/10/09/08/620100908.db2.gz NSKUTLGXJAQNDF-UHFFFAOYSA-N 0 3 255.402 3.376 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@]1(c2ccccc2)CCCO1 ZINC000897233370 620166731 /nfs/dbraw/zinc/16/67/31/620166731.db2.gz OCBFGQMZNFEYIE-FQEVSTJZSA-N 0 3 291.394 3.334 20 30 CGEDHN C[C@@H](c1cccnc1)N(C)CCCOc1ccc(C#N)cc1 ZINC000179142657 620348455 /nfs/dbraw/zinc/34/84/55/620348455.db2.gz DSKDHDNUFSHBJF-HNNXBMFYSA-N 0 3 295.386 3.415 20 30 CGEDHN C[C@@H](CCc1ccsc1)NCc1nc(C#N)cs1 ZINC000897629207 620414250 /nfs/dbraw/zinc/41/42/50/620414250.db2.gz SMFGBQNIOIXUQK-JTQLQIEISA-N 0 3 277.418 3.187 20 30 CGEDHN CCCC[C@H](C)[C@H](C)NCc1nc(C#N)cs1 ZINC000897630326 620414541 /nfs/dbraw/zinc/41/45/41/620414541.db2.gz VPROERLOLRMKAI-QWRGUYRKSA-N 0 3 251.399 3.319 20 30 CGEDHN C=CCC[C@@H](CC)NCc1cc(C(F)(F)F)n(C)n1 ZINC000898021307 620468022 /nfs/dbraw/zinc/46/80/22/620468022.db2.gz BCFSXIOADATHFG-SNVBAGLBSA-N 0 3 275.318 3.273 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CCC2CCCCC2)CC1 ZINC000989603166 620518574 /nfs/dbraw/zinc/51/85/74/620518574.db2.gz JCFRZOUCKAAEPB-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989925628 620532441 /nfs/dbraw/zinc/53/24/41/620532441.db2.gz OFQHOPIDXGPTJT-GOEBONIOSA-N 0 3 290.432 3.051 20 30 CGEDHN CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1c(C)cc(N)cc1C ZINC000901298218 620856154 /nfs/dbraw/zinc/85/61/54/620856154.db2.gz BUFXZSIPSUHAQQ-STQMWFEESA-N 0 3 289.423 3.155 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000902816827 621463476 /nfs/dbraw/zinc/46/34/76/621463476.db2.gz RUAJKMXZUQQUQT-BLLLJJGKSA-N 0 3 268.364 3.094 20 30 CGEDHN CO[C@@](C)(CN[C@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000903008243 621531387 /nfs/dbraw/zinc/53/13/87/621531387.db2.gz MUWRTAVZQUBQNZ-KDOFPFPSSA-N 0 3 295.386 3.166 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@H]2CCCF)n1 ZINC000903263561 621648702 /nfs/dbraw/zinc/64/87/02/621648702.db2.gz NZVJXXXTZPJZFK-JQWIXIFHSA-N 0 3 267.373 3.023 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C(F)(F)F)n(C)n1)C1CC1 ZINC000903341830 621697079 /nfs/dbraw/zinc/69/70/79/621697079.db2.gz SYCLWLDWBSOADG-GFCCVEGCSA-N 0 3 287.329 3.273 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000912115625 622601219 /nfs/dbraw/zinc/60/12/19/622601219.db2.gz HFZMSKYWPZQLJG-INIZCTEOSA-N 0 3 290.382 3.000 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000912188128 622616507 /nfs/dbraw/zinc/61/65/07/622616507.db2.gz ZYLOPKYNSAYEDH-JKSUJKDBSA-N 0 3 290.382 3.173 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000912243215 622624875 /nfs/dbraw/zinc/62/48/75/622624875.db2.gz DISTUDXCTDPPTH-CQSZACIVSA-N 0 3 271.364 3.098 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000151376905 622776264 /nfs/dbraw/zinc/77/62/64/622776264.db2.gz DZSRRASISJEQER-HNNXBMFYSA-N 0 3 290.366 3.421 20 30 CGEDHN C[C@H](NCc1ccc(O)c(F)c1)c1ccc(C#N)cc1 ZINC000224662976 622882068 /nfs/dbraw/zinc/88/20/68/622882068.db2.gz GCZMNLSZQPNSLY-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN C[C@H]([NH2+]Cc1ccc([O-])c(F)c1)c1ccc(C#N)cc1 ZINC000224662976 622882073 /nfs/dbraw/zinc/88/20/73/622882073.db2.gz GCZMNLSZQPNSLY-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccncc2)c([O-])c1 ZINC000060802617 623071560 /nfs/dbraw/zinc/07/15/60/623071560.db2.gz NQVXVXAMGJWCEG-CPNJWEJPSA-N 0 3 283.375 3.253 20 30 CGEDHN C[C@@H]1Cc2cc(CNCc3cccc(C#N)c3)ccc2O1 ZINC000921519988 625629477 /nfs/dbraw/zinc/62/94/77/625629477.db2.gz GWBLDMOPASYJFG-CYBMUJFWSA-N 0 3 278.355 3.171 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992164605 623458554 /nfs/dbraw/zinc/45/85/54/623458554.db2.gz YMFGVLVJDAGXAW-IIDMSEBBSA-N 0 3 290.451 3.112 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000840746900 623509038 /nfs/dbraw/zinc/50/90/38/623509038.db2.gz ICPPIAPKDBBSIG-HUUCEWRRSA-N 0 3 287.407 3.025 20 30 CGEDHN C=CCN1CCC[C@@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000993007950 623784493 /nfs/dbraw/zinc/78/44/93/623784493.db2.gz ZVCDUQDHCIFPTE-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN CCN(CC)c1ccc(C=NN[C@@H]2CCOC2(C)C)cc1 ZINC000835014114 623856321 /nfs/dbraw/zinc/85/63/21/623856321.db2.gz AVJQTRBUIPCBIC-MRXNPFEDSA-N 0 3 289.423 3.024 20 30 CGEDHN C=CCN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993143426 623866644 /nfs/dbraw/zinc/86/66/44/623866644.db2.gz SGGVHEOWKNSADQ-GDBMZVCRSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993307610 624005108 /nfs/dbraw/zinc/00/51/08/624005108.db2.gz HACJVWSAZSAYBT-KGLIPLIRSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993698664 624059029 /nfs/dbraw/zinc/05/90/29/624059029.db2.gz AUDBZIJDLPRBPM-HOCLYGCPSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994274041 624196838 /nfs/dbraw/zinc/19/68/38/624196838.db2.gz GUNOVKHGBHWEFO-RDJZCZTQSA-N 0 3 286.419 3.154 20 30 CGEDHN C#CCOc1ccccc1CNCCOc1ccccc1F ZINC000920956956 624557232 /nfs/dbraw/zinc/55/72/32/624557232.db2.gz ABJYABHZNFPKAX-UHFFFAOYSA-N 0 3 299.345 3.006 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccsc2)cc1 ZINC000237579728 624659548 /nfs/dbraw/zinc/65/95/48/624659548.db2.gz QALZFEIARFUWIY-GFCCVEGCSA-N 0 3 272.373 3.329 20 30 CGEDHN Cc1cc(N(C)C)ccc1CNCc1csc(C#N)c1 ZINC000921746566 625862712 /nfs/dbraw/zinc/86/27/12/625862712.db2.gz FHILGPRMMIUPMY-UHFFFAOYSA-N 0 3 285.416 3.284 20 30 CGEDHN Cc1cc(CNCc2ccc3c(c2)C[C@H](C)O3)ccc1C#N ZINC000922701497 626034176 /nfs/dbraw/zinc/03/41/76/626034176.db2.gz JFMFTLLFSPDRKY-AWEZNQCLSA-N 0 3 292.382 3.480 20 30 CGEDHN Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1C#N ZINC000922758404 626042748 /nfs/dbraw/zinc/04/27/48/626042748.db2.gz BVJGWPOZEPFMDB-UHFFFAOYSA-N 0 3 292.382 3.482 20 30 CGEDHN C#CCC1(NCc2cc(OC)cnc2F)CCCCC1 ZINC000922980771 626114797 /nfs/dbraw/zinc/11/47/97/626114797.db2.gz BJGFUCAHQQYUTB-UHFFFAOYSA-N 0 3 276.355 3.045 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000839163875 626330773 /nfs/dbraw/zinc/33/07/73/626330773.db2.gz USFOZMJOQXYOGS-UHFFFAOYSA-N 0 3 281.743 3.278 20 30 CGEDHN C#CCN(CC[C@@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000754018088 626472288 /nfs/dbraw/zinc/47/22/88/626472288.db2.gz FXKYXZJICFGINL-KRWDZBQOSA-N 0 3 275.367 3.220 20 30 CGEDHN CCCCCCCCN[C@H](C(N)=O)c1ccccc1 ZINC000754693485 626582670 /nfs/dbraw/zinc/58/26/70/626582670.db2.gz JFFFRXJEGANYCU-HNNXBMFYSA-N 0 3 262.397 3.163 20 30 CGEDHN C#CCCNC(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000760305014 626957752 /nfs/dbraw/zinc/95/77/52/626957752.db2.gz PKQVXIRFKCJJEE-UHFFFAOYSA-N 0 3 295.382 3.406 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1 ZINC000760446822 626971088 /nfs/dbraw/zinc/97/10/88/626971088.db2.gz XWFKKPRXALYXIE-OLZOCXBDSA-N 0 3 269.348 3.156 20 30 CGEDHN C#C[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(C)(C)C ZINC000809780963 627073411 /nfs/dbraw/zinc/07/34/11/627073411.db2.gz BPPXWUYGPVVDGS-ZDUSSCGKSA-N 0 3 265.784 3.492 20 30 CGEDHN Cc1cccc(CNN=Cc2ccc(N(C)C)cc2)c1 ZINC000764715932 627220017 /nfs/dbraw/zinc/22/00/17/627220017.db2.gz UCJDPRRPTWAMIO-UHFFFAOYSA-N 0 3 267.376 3.185 20 30 CGEDHN C=CC[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccncc1 ZINC000766019352 627287628 /nfs/dbraw/zinc/28/76/28/627287628.db2.gz MAHBZIAXCJSQAX-JKSUJKDBSA-N 0 3 282.391 3.100 20 30 CGEDHN C#CCN(Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000769529840 627562874 /nfs/dbraw/zinc/56/28/74/627562874.db2.gz GAZGFRNLIFSOOH-UHFFFAOYSA-N 0 3 272.348 3.281 20 30 CGEDHN C=CCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000769811710 627579973 /nfs/dbraw/zinc/57/99/73/627579973.db2.gz DERUZWWETVVQIE-UHFFFAOYSA-N 0 3 265.784 3.200 20 30 CGEDHN C=CC[C@@H](N[C@@H](C)c1cccnc1)c1ccncc1 ZINC000771390726 627706109 /nfs/dbraw/zinc/70/61/09/627706109.db2.gz QAEWVHOMAHODGX-XJKSGUPXSA-N 0 3 253.349 3.445 20 30 CGEDHN C#CCSCCN[C@H](CC)c1cc(F)ccc1F ZINC000773010103 627841511 /nfs/dbraw/zinc/84/15/11/627841511.db2.gz GWWARMSZMNPARW-CQSZACIVSA-N 0 3 269.360 3.372 20 30 CGEDHN C#CCN(C[C@H]1CCC=CO1)[C@@H]1CCc2ccccc21 ZINC000774816330 628034218 /nfs/dbraw/zinc/03/42/18/628034218.db2.gz ZNZSAZZIAXEZER-SJLPKXTDSA-N 0 3 267.372 3.302 20 30 CGEDHN C#CCCN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000775442336 628095860 /nfs/dbraw/zinc/09/58/60/628095860.db2.gz GNIPNXIZYQJJKL-ZDUSSCGKSA-N 0 3 271.282 3.006 20 30 CGEDHN C=CCC[C@@H](NC/C=C(\C)C(=O)OC)c1ccccc1 ZINC000775463671 628097089 /nfs/dbraw/zinc/09/70/89/628097089.db2.gz MUAQNNJFRXBDTA-WCRPCQDQSA-N 0 3 273.376 3.403 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccccc1C(F)(F)F ZINC000775458600 628097573 /nfs/dbraw/zinc/09/75/73/628097573.db2.gz LTGGXWIAQDXNPB-ZWNOBZJWSA-N 0 3 273.298 3.293 20 30 CGEDHN N#CCC[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccccc1 ZINC000775554197 628106681 /nfs/dbraw/zinc/10/66/81/628106681.db2.gz VMTBFYJOTBCLNL-MSOLQXFVSA-N 0 3 298.361 3.494 20 30 CGEDHN C#CCCCCCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000779877214 628439581 /nfs/dbraw/zinc/43/95/81/628439581.db2.gz NMFOWJFYRINUNK-UHFFFAOYSA-N 0 3 292.467 3.293 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCC=CO2)c([O-])c1 ZINC000780149870 628457308 /nfs/dbraw/zinc/45/73/08/628457308.db2.gz OYTYIXAOPKNDDE-JIHKLPAASA-N 0 3 288.391 3.350 20 30 CGEDHN C#CCCCCCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000780354323 628484389 /nfs/dbraw/zinc/48/43/89/628484389.db2.gz PYWQHQWCQRDPOM-GOSISDBHSA-N 0 3 299.414 3.388 20 30 CGEDHN C#CCSCCNCc1c(Cl)ccc2cccnc21 ZINC000781413478 628558043 /nfs/dbraw/zinc/55/80/43/628558043.db2.gz GGQLZZUIXZBQCX-UHFFFAOYSA-N 0 3 290.819 3.344 20 30 CGEDHN CN(C)c1ccc(C=NN[C@H]2CCCC2(C)C)cc1 ZINC000782287754 628634116 /nfs/dbraw/zinc/63/41/16/628634116.db2.gz OGSGZOVBVIBBAZ-HNNXBMFYSA-N 0 3 259.397 3.255 20 30 CGEDHN CC(C)(C#N)CCCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786881082 628968114 /nfs/dbraw/zinc/96/81/14/628968114.db2.gz SCFFDINEBIVJLR-HNNXBMFYSA-N 0 3 292.423 3.267 20 30 CGEDHN C#Cc1ccc(CN[C@H](CC)c2ccncc2)cc1 ZINC000788852008 629086657 /nfs/dbraw/zinc/08/66/57/629086657.db2.gz CTRWIFWNPSTSIR-QGZVFWFLSA-N 0 3 250.345 3.304 20 30 CGEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000792286302 629354226 /nfs/dbraw/zinc/35/42/26/629354226.db2.gz OLGFPMHLNNOYJG-INIZCTEOSA-N 0 3 278.399 3.455 20 30 CGEDHN CCC(=NNCc1ccccc1N(C)C)c1ccc(N)cc1 ZINC000863112429 629475812 /nfs/dbraw/zinc/47/58/12/629475812.db2.gz RUANQQJDMOEIMK-UHFFFAOYSA-N 0 3 296.418 3.239 20 30 CGEDHN C[C@H]1CC(N=Nc2ccnc(C(F)(F)F)c2)CN1C1CC1 ZINC000863181992 629490662 /nfs/dbraw/zinc/49/06/62/629490662.db2.gz VKVDESOPESCZPT-VIFPVBQESA-N 0 3 298.312 3.125 20 30 CGEDHN CCCCCCCCN[C@@H](c1nncn1C)C(C)C ZINC000796187273 629751162 /nfs/dbraw/zinc/75/11/62/629751162.db2.gz PSRSNJRKIWWMDU-CQSZACIVSA-N 0 3 266.433 3.462 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCCN(C(=O)OC)C1)c1ccco1 ZINC000796749046 629825641 /nfs/dbraw/zinc/82/56/41/629825641.db2.gz ZBZWFVATPWYBGA-UONOGXRCSA-N 0 3 292.379 3.107 20 30 CGEDHN CCOc1ccc([C@H]2CCCN2CCO[C@@H](C)C#N)cc1 ZINC000801909948 630363807 /nfs/dbraw/zinc/36/38/07/630363807.db2.gz ISVMRBGNQFONAC-WMLDXEAASA-N 0 3 288.391 3.151 20 30 CGEDHN Cc1ccc(C2=CCN(CCO[C@H](C)C#N)CC2)cc1 ZINC000801910977 630364249 /nfs/dbraw/zinc/36/42/49/630364249.db2.gz RBWLUVAWJINEJP-OAHLLOKOSA-N 0 3 270.376 3.013 20 30 CGEDHN C[C@@H](C#N)OCCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000801912996 630364762 /nfs/dbraw/zinc/36/47/62/630364762.db2.gz LEEYVABEDPFBQF-NSHDSACASA-N 0 3 286.297 3.066 20 30 CGEDHN Cc1ccc([C@@H]2CCCCCN2CCO[C@@H](C)C#N)o1 ZINC000801922741 630367085 /nfs/dbraw/zinc/36/70/85/630367085.db2.gz OBXACBJVFGCJHG-GJZGRUSLSA-N 0 3 276.380 3.434 20 30 CGEDHN C=C(C)CCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000803486971 630482592 /nfs/dbraw/zinc/48/25/92/630482592.db2.gz VYMDSBPAUGCOGX-UHFFFAOYSA-N 0 3 273.376 3.405 20 30 CGEDHN c1ccc2c(c1)NCCCC2=NNCC1CCCC1 ZINC000808007099 630617591 /nfs/dbraw/zinc/61/75/91/630617591.db2.gz PDLPXLHDQIWQMQ-UHFFFAOYSA-N 0 3 257.381 3.376 20 30 CGEDHN C#CCSCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808707259 630667866 /nfs/dbraw/zinc/66/78/66/630667866.db2.gz JMKXKMAAVUUTFF-NSHDSACASA-N 0 3 283.824 3.371 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000808720400 630670676 /nfs/dbraw/zinc/67/06/76/630670676.db2.gz UUSJYQZJVKDBBU-VEVIJQCQSA-N 0 3 298.361 3.470 20 30 CGEDHN CN(Cc1ccccc1-c1ccccc1)C[C@H](O)CC#N ZINC000809573555 630752179 /nfs/dbraw/zinc/75/21/79/630752179.db2.gz PZEFFDDPQCFITG-QGZVFWFLSA-N 0 3 280.371 3.060 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000809639457 630772201 /nfs/dbraw/zinc/77/22/01/630772201.db2.gz VFZFELDXWJGNNT-IBGZPJMESA-N 0 3 295.357 3.460 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000809656986 630777205 /nfs/dbraw/zinc/77/72/05/630777205.db2.gz QRYTVCKYMXNTNR-RISCZKNCSA-N 0 3 267.294 3.441 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(OC(F)F)c1)C(C)(C)C ZINC000809780918 630805601 /nfs/dbraw/zinc/80/56/01/630805601.db2.gz AKHFUCJNGWHKIM-AWEZNQCLSA-N 0 3 297.345 3.434 20 30 CGEDHN C#C[C@@H](NCc1cc(OC)c(OC)cc1C)C(C)(C)C ZINC000809781402 630806032 /nfs/dbraw/zinc/80/60/32/630806032.db2.gz QMAYDWXHRNTWIA-MRXNPFEDSA-N 0 3 275.392 3.150 20 30 CGEDHN C#CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000810076309 630835850 /nfs/dbraw/zinc/83/58/50/630835850.db2.gz ZUEWQNORXZPAJM-SFHVURJKSA-N 0 3 265.356 3.202 20 30 CGEDHN N#Cc1csc(CN[C@H]2CC[C@H](c3ccccc3)C2)n1 ZINC000810152585 630847885 /nfs/dbraw/zinc/84/78/85/630847885.db2.gz WCQRUXZKIMIXHA-KBPBESRZSA-N 0 3 283.400 3.441 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccccc2F)N(CCOCCC#N)C1 ZINC000815054503 631707307 /nfs/dbraw/zinc/70/73/07/631707307.db2.gz LEOAYCUBCKMAON-CJNGLKHVSA-N 0 3 276.355 3.139 20 30 CGEDHN C=CCOCC[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000815111600 631719254 /nfs/dbraw/zinc/71/92/54/631719254.db2.gz CYTGKAJHQFHWOR-UHFFFAOYSA-N 0 3 263.381 3.197 20 30 CGEDHN C=CCOCC[N@H+](CCCC)Cc1ccccc1[O-] ZINC000815111600 631719256 /nfs/dbraw/zinc/71/92/56/631719256.db2.gz CYTGKAJHQFHWOR-UHFFFAOYSA-N 0 3 263.381 3.197 20 30 CGEDHN C#C[C@@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(F)cc1 ZINC000816617178 632025448 /nfs/dbraw/zinc/02/54/48/632025448.db2.gz QEOGWMKHYCAEDH-FZKQIMNGSA-N 0 3 283.346 3.426 20 30 CGEDHN CC(C)(C)OC(=O)N[C@H]1CCCCCN(CCCC#N)C1 ZINC000879103616 635702686 /nfs/dbraw/zinc/70/26/86/635702686.db2.gz TXBKPKQPLUYJSX-AWEZNQCLSA-N 0 3 295.427 3.059 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC1CC=CC1 ZINC000817408830 632139631 /nfs/dbraw/zinc/13/96/31/632139631.db2.gz PZSJJEPJIOLXBJ-UHFFFAOYSA-N 0 3 261.752 3.160 20 30 CGEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cccnc1Cl ZINC000866617336 633216378 /nfs/dbraw/zinc/21/63/78/633216378.db2.gz HMROYSYMJZEANH-IAQYHMDHSA-N 0 3 297.789 3.425 20 30 CGEDHN Cc1cncc(CNCc2ccc(N(C)CCC#N)cc2)c1 ZINC000123221448 633612601 /nfs/dbraw/zinc/61/26/01/633612601.db2.gz VGLWHNAROKGWIV-UHFFFAOYSA-N 0 3 294.402 3.030 20 30 CGEDHN COc1ccc(CNCc2cccc3c2CCC3)cc1C#N ZINC000845945181 636122495 /nfs/dbraw/zinc/12/24/95/636122495.db2.gz ILCUBOJVFDTGKG-UHFFFAOYSA-N 0 3 292.382 3.345 20 30 CGEDHN C[C@H](C#N)OCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830764930 633886313 /nfs/dbraw/zinc/88/63/13/633886313.db2.gz NGLQCFVBRGIFCF-NVXWUHKLSA-N 0 3 282.387 3.308 20 30 CGEDHN Cc1cc(F)ccc1[C@H]1CCCN1CCO[C@@H](C)C#N ZINC000832524722 634070270 /nfs/dbraw/zinc/07/02/70/634070270.db2.gz RCBLGVWNKABJJR-XJKSGUPXSA-N 0 3 276.355 3.200 20 30 CGEDHN CCOc1cccc(F)c1CNCCCCC#N ZINC000873040814 634236130 /nfs/dbraw/zinc/23/61/30/634236130.db2.gz ALGSZGVZONCAFV-UHFFFAOYSA-N 0 3 250.317 3.008 20 30 CGEDHN C=CCC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834902503 634279248 /nfs/dbraw/zinc/27/92/48/634279248.db2.gz BPADCQPJEYHQLF-DGCLKSJQSA-N 0 3 283.799 3.332 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2nc3cc(F)ccc3o2)CC1 ZINC000873197880 634282406 /nfs/dbraw/zinc/28/24/06/634282406.db2.gz HZTWIEPDXBACLO-AULYBMBSSA-N 0 3 272.323 3.249 20 30 CGEDHN C#CCCOc1ccc(CNC2(C)CC(F)(F)C2)cc1 ZINC000873197695 634282688 /nfs/dbraw/zinc/28/26/88/634282688.db2.gz OADRVUYTXSBZBB-UHFFFAOYSA-N 0 3 279.330 3.366 20 30 CGEDHN CN(C)c1ccc(/C=C\C=NO[C@H]2CCCCO2)cc1 ZINC000834966820 634297089 /nfs/dbraw/zinc/29/70/89/634297089.db2.gz OONIZQNYBRTLMV-LTLOUNRJSA-N 0 3 274.364 3.295 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)cc1Cl ZINC000876546670 634854912 /nfs/dbraw/zinc/85/49/12/634854912.db2.gz PMQZGDCESFUIFL-SNVBAGLBSA-N 0 3 273.163 3.057 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)cc1Cl ZINC000876546669 634854956 /nfs/dbraw/zinc/85/49/56/634854956.db2.gz PMQZGDCESFUIFL-JTQLQIEISA-N 0 3 273.163 3.057 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1F)C(C)C ZINC000876593972 634864189 /nfs/dbraw/zinc/86/41/89/634864189.db2.gz OKSKPIOFKMVFHJ-AWEZNQCLSA-N 0 3 298.789 3.033 20 30 CGEDHN C[C@H](Cc1cccs1)NCc1cc(C#N)cnc1Cl ZINC000876916707 634928349 /nfs/dbraw/zinc/92/83/49/634928349.db2.gz YLZWOQAQSKRMLV-SNVBAGLBSA-N 0 3 291.807 3.389 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC2(CCCC2)CC1 ZINC000876961327 634939201 /nfs/dbraw/zinc/93/92/01/634939201.db2.gz FGZWKUXEXHMGSF-CYBMUJFWSA-N 0 3 284.831 3.029 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1cc(C)ccc1C ZINC000877064599 634968445 /nfs/dbraw/zinc/96/84/45/634968445.db2.gz BLYFVMTYJNPHRH-LSDHHAIUSA-N 0 3 294.826 3.341 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000877605272 635108690 /nfs/dbraw/zinc/10/86/90/635108690.db2.gz XPFJXSUISWENFS-GDBMZVCRSA-N 0 3 297.789 3.500 20 30 CGEDHN C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758286 635187179 /nfs/dbraw/zinc/18/71/79/635187179.db2.gz RGUIBNRKHKYBAO-KBPBESRZSA-N 0 3 288.391 3.142 20 30 CGEDHN C[C@@H]1CN(CC(C)(C)CCC#N)CC[C@H](C(F)(F)F)O1 ZINC000877825189 635229229 /nfs/dbraw/zinc/22/92/29/635229229.db2.gz XYAVHQBGEPASEJ-VXGBXAGGSA-N 0 3 292.345 3.358 20 30 CGEDHN C[C@@H](NC[C@H]1CC2(CCC2)CO1)c1ccc(C#N)cc1F ZINC000878407188 635492244 /nfs/dbraw/zinc/49/22/44/635492244.db2.gz NAHZXXLIDVYVQC-TZMCWYRMSA-N 0 3 288.366 3.307 20 30 CGEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942349 635521895 /nfs/dbraw/zinc/52/18/95/635521895.db2.gz XQXKMUUFZPPVLO-MWLCHTKSSA-N 0 3 280.418 3.338 20 30 CGEDHN C=CCC(C)(C)c1noc([C@H]2CNCc3ccccc32)n1 ZINC000843234835 635623116 /nfs/dbraw/zinc/62/31/16/635623116.db2.gz KEBSGNSBSZJCPR-AWEZNQCLSA-N 0 3 283.375 3.158 20 30 CGEDHN Cc1cc(CNCc2ccc(CC#N)cc2)cc(Cl)n1 ZINC000843418355 635663342 /nfs/dbraw/zinc/66/33/42/635663342.db2.gz LFADVGXYHMCUDP-UHFFFAOYSA-N 0 3 285.778 3.399 20 30 CGEDHN C=CCC1(NCc2nnc(-c3ccccc3O)o2)CCCC1 ZINC000878954135 635665387 /nfs/dbraw/zinc/66/53/87/635665387.db2.gz RXCZNOBMBGRABM-UHFFFAOYSA-N 0 3 299.374 3.421 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000843422098 635666306 /nfs/dbraw/zinc/66/63/06/635666306.db2.gz CAHAFVKIIPGBLP-AWEZNQCLSA-N 0 3 271.408 3.009 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2nn(CC)c3ccccc23)C1 ZINC000843422306 635666739 /nfs/dbraw/zinc/66/67/39/635666739.db2.gz DTRMUXMLTQKCTK-OAHLLOKOSA-N 0 3 281.403 3.292 20 30 CGEDHN CC1(C)CC[C@H](CN2CCc3c(CC#N)cccc3C2)OC1 ZINC000879064260 635693219 /nfs/dbraw/zinc/69/32/19/635693219.db2.gz AHWNHGSVQQVEMG-QGZVFWFLSA-N 0 3 298.430 3.316 20 30 CGEDHN C=CCCCCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879692085 635836811 /nfs/dbraw/zinc/83/68/11/635836811.db2.gz OTYCXSIQGFTYOQ-INIZCTEOSA-N 0 3 271.408 3.222 20 30 CGEDHN N#Cc1ccc(F)c(CNC2([C@@H]3CCCCO3)CCC2)c1 ZINC000879732581 635846309 /nfs/dbraw/zinc/84/63/09/635846309.db2.gz YWLRDGKRYZAYSU-INIZCTEOSA-N 0 3 288.366 3.279 20 30 CGEDHN N#Cc1ccc(F)c(CNC2([C@H]3CCCCO3)CCC2)c1 ZINC000879732582 635846439 /nfs/dbraw/zinc/84/64/39/635846439.db2.gz YWLRDGKRYZAYSU-MRXNPFEDSA-N 0 3 288.366 3.279 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844436509 635899990 /nfs/dbraw/zinc/89/99/90/635899990.db2.gz IFCZCAWDRCIEJL-OAHLLOKOSA-N 0 3 292.329 3.058 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2nccs2)C1 ZINC000880320148 635974853 /nfs/dbraw/zinc/97/48/53/635974853.db2.gz PZWZJQBFTNGPLL-CYBMUJFWSA-N 0 3 299.399 3.013 20 30 CGEDHN C#CCC1(O)CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000880479686 636007881 /nfs/dbraw/zinc/00/78/81/636007881.db2.gz TYZPCRCPEQCPKW-ZDUSSCGKSA-N 0 3 277.795 3.251 20 30 CGEDHN C#CC1CCN(Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000845989532 636126866 /nfs/dbraw/zinc/12/68/66/636126866.db2.gz JTLFYSZOZZMTHY-UHFFFAOYSA-N 0 3 293.414 3.334 20 30 CGEDHN Cc1ccc(NC[C@H](c2cccs2)N(C)C)c(C#N)n1 ZINC000881753406 636196942 /nfs/dbraw/zinc/19/69/42/636196942.db2.gz OOVQBZJACXBIOC-CQSZACIVSA-N 0 3 286.404 3.038 20 30 CGEDHN Cc1cccc(C)c1CNCc1ccc(C#N)cc1 ZINC000130396516 636447851 /nfs/dbraw/zinc/44/78/51/636447851.db2.gz YFMKFTAVVYHUPE-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN C=CCC[C@@H](NCc1cn2cc(C)ccc2n1)[C@H]1CCCO1 ZINC000883186382 636572576 /nfs/dbraw/zinc/57/25/76/636572576.db2.gz QUADDQIFSXTNCB-IAGOWNOFSA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCCC[C@@H](N[C@@H](C)C(=O)NCCF)c1ccccc1 ZINC000883220857 636594687 /nfs/dbraw/zinc/59/46/87/636594687.db2.gz QIVFBNWQUHGAEV-GOEBONIOSA-N 0 3 292.398 3.148 20 30 CGEDHN C=CCC[C@@H](NCc1noc2ccccc12)[C@@H]1CCCO1 ZINC000883234087 636603664 /nfs/dbraw/zinc/60/36/64/636603664.db2.gz WGKJIMXEZVIPIF-PBHICJAKSA-N 0 3 286.375 3.431 20 30 CGEDHN C#C[C@@H]1CCCN(c2ccnc3cc(OC)ccc32)C1 ZINC000848748753 636649265 /nfs/dbraw/zinc/64/92/65/636649265.db2.gz BEKXFUJDEYVJAC-CYBMUJFWSA-N 0 3 266.344 3.093 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000883392143 636736622 /nfs/dbraw/zinc/73/66/22/636736622.db2.gz AYYPWOFSTXEGFA-AAEUAGOBSA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000883401496 636742569 /nfs/dbraw/zinc/74/25/69/636742569.db2.gz OCVQRJOVLANVGJ-GOSISDBHSA-N 0 3 297.398 3.476 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000850498900 637091084 /nfs/dbraw/zinc/09/10/84/637091084.db2.gz FMSCCMCDYPHVBQ-MELADBBJSA-N 0 3 262.401 3.399 20 30 CGEDHN CC1(C)CC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782516 637152069 /nfs/dbraw/zinc/15/20/69/637152069.db2.gz NHSQNAJNZYMZNY-GHMZBOCLSA-N 0 3 268.316 3.440 20 30 CGEDHN C=C(C)COCCNCc1ccccc1OCC(F)F ZINC000886020804 637369728 /nfs/dbraw/zinc/36/97/28/637369728.db2.gz IMDSBKGZSNRKPW-UHFFFAOYSA-N 0 3 285.334 3.013 20 30 CGEDHN C=CCN(CC[C@H]1COC(C)(C)O1)Cc1cccs1 ZINC000851712563 637470551 /nfs/dbraw/zinc/47/05/51/637470551.db2.gz QMFQQKCILLTSRJ-ZDUSSCGKSA-N 0 3 281.421 3.278 20 30 CGEDHN C[C@@H]1c2sccc2CCN1C[C@@H](O)CC1(C#N)CCC1 ZINC000886318036 637498236 /nfs/dbraw/zinc/49/82/36/637498236.db2.gz IALHSRRIPRIMKT-OCCSQVGLSA-N 0 3 290.432 3.112 20 30 CGEDHN Cc1ccccc1[C@@H](CO)N(C)Cc1cccc(C#N)c1 ZINC000886431750 637529052 /nfs/dbraw/zinc/52/90/52/637529052.db2.gz FWRXZTPLCSLBOB-GOSISDBHSA-N 0 3 280.371 3.032 20 30 CGEDHN C#CCOCCN[C@@H](CC(F)(F)F)c1ccccc1C ZINC000851989991 637565153 /nfs/dbraw/zinc/56/51/53/637565153.db2.gz MYXYVLGRJFNICP-AWEZNQCLSA-N 0 3 285.309 3.228 20 30 CGEDHN C=CCN(C[C@@]1(C)CC1(Cl)Cl)[C@@H](C)COC ZINC000852356583 637642579 /nfs/dbraw/zinc/64/25/79/637642579.db2.gz IULZRHHJKZTXDW-WDEREUQCSA-N 0 3 266.212 3.093 20 30 CGEDHN Cc1csc(C[C@H]2CCCN(CC3(CC#N)CC3)C2)n1 ZINC000886691483 637656040 /nfs/dbraw/zinc/65/60/40/637656040.db2.gz FIBASJWFIUTGAF-CQSZACIVSA-N 0 3 289.448 3.400 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000852587629 637683073 /nfs/dbraw/zinc/68/30/73/637683073.db2.gz ZQFOXEAJVUSCAK-NWDGAFQWSA-N 0 3 257.805 3.455 20 30 CGEDHN C#C[C@@H](N[C@H](CC)c1ccc(F)cc1F)C1CCOCC1 ZINC000853079058 637752270 /nfs/dbraw/zinc/75/22/70/637752270.db2.gz WYKWNFIWYFOAHL-IAGOWNOFSA-N 0 3 293.357 3.434 20 30 CGEDHN Clc1ccccc1[C@@H]1CCCCC1=Nn1cnnc1 ZINC000853253761 637794819 /nfs/dbraw/zinc/79/48/19/637794819.db2.gz CKOOGNCVLNGIRN-LBPRGKRZSA-N 0 3 274.755 3.493 20 30 CGEDHN C=CC1CCN(Cc2cc(=O)oc3cc(OC)ccc23)CC1 ZINC000111256781 637824650 /nfs/dbraw/zinc/82/46/50/637824650.db2.gz FSVALBHEMSPBIH-UHFFFAOYSA-N 0 3 299.370 3.200 20 30 CGEDHN CC(C)=CCCON=Cc1ccc(N2CCOCC2)cc1 ZINC000853643311 637879708 /nfs/dbraw/zinc/87/97/08/637879708.db2.gz SCDMPKGWACVIDA-UHFFFAOYSA-N 0 3 288.391 3.230 20 30 CGEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccnc2C)c1 ZINC000113961686 638314617 /nfs/dbraw/zinc/31/46/17/638314617.db2.gz CVJUMRUNPGLFJH-QGZVFWFLSA-N 0 3 295.386 3.361 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccnc(F)c1 ZINC000858179239 638650779 /nfs/dbraw/zinc/65/07/79/638650779.db2.gz JVPUPYVWJDRMAT-MRXNPFEDSA-N 0 3 281.334 3.260 20 30 CGEDHN C=CCCC1(CN[C@@H]2C[C@@H](C)n3ncnc32)CCCC1 ZINC000926682260 638798139 /nfs/dbraw/zinc/79/81/39/638798139.db2.gz DTHCEJSPTIHSQH-ZIAGYGMSSA-N 0 3 274.412 3.400 20 30 CGEDHN N#Cc1cncc(CN(CCc2ccccc2)C2CC2)c1 ZINC000929368934 638922057 /nfs/dbraw/zinc/92/20/57/638922057.db2.gz PKTOMNGKHLVOKS-UHFFFAOYSA-N 0 3 277.371 3.160 20 30 CGEDHN N#CC1(CCCCN2CCCN(CC(F)F)CC2)CCC1 ZINC000930145693 638977641 /nfs/dbraw/zinc/97/76/41/638977641.db2.gz SAPBRWURZUNCSV-UHFFFAOYSA-N 0 3 299.409 3.123 20 30 CGEDHN C[C@H](NCC1CCC(C#N)CC1)c1c(F)cncc1F ZINC000930474494 639006762 /nfs/dbraw/zinc/00/67/62/639006762.db2.gz QDGKGSHYVGBYCL-UNXYVOJBSA-N 0 3 279.334 3.340 20 30 CGEDHN C[C@H]1CN(Cc2cncc(C#N)c2)CCc2ccc(F)cc21 ZINC000930864756 639079721 /nfs/dbraw/zinc/07/97/21/639079721.db2.gz IZINSCWFZDXAOW-ZDUSSCGKSA-N 0 3 295.361 3.254 20 30 CGEDHN Clc1cccc(C#CCN[C@@H]2CCOC23CCCC3)c1 ZINC000934385009 639600525 /nfs/dbraw/zinc/60/05/25/639600525.db2.gz UPYCXILIZOWWHQ-MRXNPFEDSA-N 0 3 289.806 3.383 20 30 CGEDHN C[C@@H]1CC=CC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000934622441 639642938 /nfs/dbraw/zinc/64/29/38/639642938.db2.gz DFUMLHFBNSKPIN-IUODEOHRSA-N 0 3 294.358 3.053 20 30 CGEDHN N#Cc1cccc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934688196 639657197 /nfs/dbraw/zinc/65/71/97/639657197.db2.gz UHWXWMINQWSRNE-KRWDZBQOSA-N 0 3 263.344 3.194 20 30 CGEDHN CCCCCCCCN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000157563070 639991656 /nfs/dbraw/zinc/99/16/56/639991656.db2.gz DFDKFNMDDCQWRP-OAHLLOKOSA-N 0 3 289.485 3.246 20 30 CGEDHN C[C@@H](C/N=C/c1ccccc1O)N1CCc2ccccc2C1 ZINC000075580913 640144349 /nfs/dbraw/zinc/14/43/49/640144349.db2.gz IHQXCEVINDQPSR-NPRIEWAGSA-N 0 3 294.398 3.258 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccc(F)nc1 ZINC000189307986 640187596 /nfs/dbraw/zinc/18/75/96/640187596.db2.gz QRZSVMJONVIIDK-UHFFFAOYSA-N 0 3 270.351 3.451 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(C)CCC(C)CC2)CC1 ZINC001006458373 640318487 /nfs/dbraw/zinc/31/84/87/640318487.db2.gz LOPFGHWMRDNCTN-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1 ZINC000245754747 640636173 /nfs/dbraw/zinc/63/61/73/640636173.db2.gz OKJFBSMWZHLLFH-HZSPNIEDSA-N 0 3 290.432 3.303 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001007564094 640943823 /nfs/dbraw/zinc/94/38/23/640943823.db2.gz YGLQBFRVLGLXQX-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCC1 ZINC001017453911 641012658 /nfs/dbraw/zinc/01/26/58/641012658.db2.gz HPAUVZAXQFQYKH-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1CC ZINC001017903625 641018277 /nfs/dbraw/zinc/01/82/77/641018277.db2.gz ZAPIFRGFRBOBAO-WCXIOVBPSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)C1 ZINC001018024197 641019265 /nfs/dbraw/zinc/01/92/65/641019265.db2.gz PYSUNMOPQIZLBU-LUKYLMHMSA-N 0 3 290.451 3.064 20 30 CGEDHN N#CCCN(c1ccc(CN2CCCC2)cn1)C1CCCC1 ZINC001165017294 721835660 /nfs/dbraw/zinc/83/56/60/721835660.db2.gz JXDXYSRBHHRWMW-UHFFFAOYSA-N 0 3 298.434 3.340 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)CCC=C(C)C ZINC001155401275 805578190 /nfs/dbraw/zinc/57/81/90/805578190.db2.gz XHEILLGEVQCTKX-DLBZAZTESA-N 0 3 292.467 3.219 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](F)CCCCCC ZINC001156403727 805684745 /nfs/dbraw/zinc/68/47/45/805684745.db2.gz PVMWQZVRAUOELB-CVEARBPZSA-N 0 3 298.446 3.145 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC001157680758 805851745 /nfs/dbraw/zinc/85/17/45/805851745.db2.gz YTIFGARZLZFZTB-QGZVFWFLSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1c(C)coc1C ZINC001157908525 805902233 /nfs/dbraw/zinc/90/22/33/805902233.db2.gz WCZHAYSMCAKFDB-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C#CCCCCCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001158703642 805987366 /nfs/dbraw/zinc/98/73/66/805987366.db2.gz QEPLXOPYRRRDPC-UHFFFAOYSA-N 0 3 290.451 3.047 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1CCOC[C@H]1C(C)C ZINC001253240405 806192147 /nfs/dbraw/zinc/19/21/47/806192147.db2.gz KPOVCBUNUZIVPW-SJORKVTESA-N 0 3 283.456 3.231 20 30 CGEDHN C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001253247155 806193818 /nfs/dbraw/zinc/19/38/18/806193818.db2.gz GESQTPFDLFCZSJ-MRXNPFEDSA-N 0 3 277.408 3.369 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cccc(OC)n1 ZINC001253256253 806198061 /nfs/dbraw/zinc/19/80/61/806198061.db2.gz TZEOQEAZFDRWNC-MRXNPFEDSA-N 0 3 292.423 3.067 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cc(C)c(Cl)cn1 ZINC001160953118 806326130 /nfs/dbraw/zinc/32/61/30/806326130.db2.gz RPIBAOZJTONJHM-LBPRGKRZSA-N 0 3 265.788 3.106 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C(C)(C)CCC)CC1 ZINC001161077607 806347546 /nfs/dbraw/zinc/34/75/46/806347546.db2.gz LRDVQEKAAIICLA-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2(CCCC)CC2)CC1 ZINC001161112716 806351259 /nfs/dbraw/zinc/35/12/59/806351259.db2.gz KHCIQPAZQJSHSZ-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC#N)C1 ZINC001254558489 806449820 /nfs/dbraw/zinc/44/98/20/806449820.db2.gz BTBDNCNRPNQPBM-KBPBESRZSA-N 0 3 287.363 3.151 20 30 CGEDHN CC#CCN1CC=C(CCNC(=O)CCCCCC)CC1 ZINC001161809401 806459291 /nfs/dbraw/zinc/45/92/91/806459291.db2.gz WCUFFLJAABRPCI-UHFFFAOYSA-N 0 3 290.451 3.119 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Cl)nc(Cl)c2)C1 ZINC001254637238 806467185 /nfs/dbraw/zinc/46/71/85/806467185.db2.gz NXYRNAUMHJRARM-PSASIEDQSA-N 0 3 270.163 3.170 20 30 CGEDHN COC(=O)c1cccc([C@@H]2CCCN2[C@@H]2CC[C@@H](C#N)C2)c1 ZINC001254675484 806482877 /nfs/dbraw/zinc/48/28/77/806482877.db2.gz FTFZNQSIMCECTN-XYPHTWIQSA-N 0 3 298.386 3.302 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)cc1 ZINC001254676833 806484340 /nfs/dbraw/zinc/48/43/40/806484340.db2.gz OGTRHBUQUYGLIM-LZLYRXPVSA-N 0 3 295.386 3.094 20 30 CGEDHN C=C[C@H](COC)NCc1cc(C)c(OC(F)F)c(C)c1 ZINC001255013342 806524094 /nfs/dbraw/zinc/52/40/94/806524094.db2.gz MEAJXZMMBDUXNV-CYBMUJFWSA-N 0 3 285.334 3.195 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC001255019620 806527453 /nfs/dbraw/zinc/52/74/53/806527453.db2.gz RURCURBEVGMFDT-CJNGLKHVSA-N 0 3 285.391 3.032 20 30 CGEDHN C#CCCCNc1ccc([C@@H]2CCCCN2C)cn1 ZINC001162439927 806586171 /nfs/dbraw/zinc/58/61/71/806586171.db2.gz GRFBECVPDPTROU-HNNXBMFYSA-N 0 3 257.381 3.064 20 30 CGEDHN CC(C)C[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)C(=O)N[O-] ZINC001255499623 806653135 /nfs/dbraw/zinc/65/31/35/806653135.db2.gz HPXYTIRBXUCIQV-RUXDESIVSA-N 0 3 284.444 3.101 20 30 CGEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1C ZINC000037501682 798868998 /nfs/dbraw/zinc/86/89/98/798868998.db2.gz WGZRDLMRLIPXEL-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN CCOc1ccc2c(c1)CN(CCCCC#N)CC2 ZINC000102399030 798977016 /nfs/dbraw/zinc/97/70/16/798977016.db2.gz BEKOXZJLVCDHRW-UHFFFAOYSA-N 0 3 258.365 3.137 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC=CCC1 ZINC000123455735 798994453 /nfs/dbraw/zinc/99/44/53/798994453.db2.gz XVCUURHBBVTZFW-STQMWFEESA-N 0 3 279.343 3.106 20 30 CGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)C1CCC1 ZINC000128673731 799019510 /nfs/dbraw/zinc/01/95/10/799019510.db2.gz WEJJIVCERROWLQ-OAHLLOKOSA-N 0 3 292.338 3.287 20 30 CGEDHN N#Cc1cc(F)cc(CN2CCc3ccccc3CC2)c1 ZINC000163623523 799083718 /nfs/dbraw/zinc/08/37/18/799083718.db2.gz NBLQARLZDFIBBK-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN C[C@@H](CCOCc1ccccc1)NCC(C)(C)C#N ZINC000405220646 799582220 /nfs/dbraw/zinc/58/22/20/799582220.db2.gz MAZCUQVOSUJBCY-AWEZNQCLSA-N 0 3 260.381 3.121 20 30 CGEDHN C[C@H]1C[C@H](NCc2nc(C#N)cs2)CC(C)(C)C1 ZINC000708294461 799984910 /nfs/dbraw/zinc/98/49/10/799984910.db2.gz OCYWCDKGKGISTN-QWRGUYRKSA-N 0 3 263.410 3.319 20 30 CGEDHN C#CC[C@@H](COC)N[C@H](C)c1cc2ccccc2o1 ZINC000716812323 800181435 /nfs/dbraw/zinc/18/14/35/800181435.db2.gz SGOBSKHVYYTZPV-OCCSQVGLSA-N 0 3 257.333 3.122 20 30 CGEDHN C#CC[C@H](COC)NCc1cc(Cl)cc(Cl)c1 ZINC000716937108 800186904 /nfs/dbraw/zinc/18/69/04/800186904.db2.gz UFJNJVVWXRECFK-CYBMUJFWSA-N 0 3 272.175 3.121 20 30 CGEDHN C=CCC1(O)CCN(C/C=C/c2ccccc2)CC1 ZINC000717434472 800201895 /nfs/dbraw/zinc/20/18/95/800201895.db2.gz GHIMXKRCNMIIRN-RMKNXTFCSA-N 0 3 257.377 3.103 20 30 CGEDHN CCCN(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000721600822 800296665 /nfs/dbraw/zinc/29/66/65/800296665.db2.gz AUWZKFJZSCKGNW-UHFFFAOYSA-N 0 3 265.360 3.365 20 30 CGEDHN C[C@H](CNc1nc(Cl)c(C#N)s1)N1CCC[C@H](C)C1 ZINC000804350356 800397662 /nfs/dbraw/zinc/39/76/62/800397662.db2.gz ZPBHGOPKOLSOAH-VHSXEESVSA-N 0 3 298.843 3.200 20 30 CGEDHN CN(C)CC#CCNc1nc2c(cc(Cl)cc2F)s1 ZINC001163879340 806843734 /nfs/dbraw/zinc/84/37/34/806843734.db2.gz ZKCRRTCGRRGEHU-UHFFFAOYSA-N 0 3 297.786 3.066 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024380990 800727072 /nfs/dbraw/zinc/72/70/72/800727072.db2.gz UZNGCNLECXJUEE-CQSZACIVSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607516 800731512 /nfs/dbraw/zinc/73/15/12/800731512.db2.gz CVAQBAJVGJNRQI-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027877864 800822900 /nfs/dbraw/zinc/82/29/00/800822900.db2.gz BLCUJNMAJSYVRI-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001027918574 800825850 /nfs/dbraw/zinc/82/58/50/800825850.db2.gz OSRRUTDYIMIBBX-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)C1CCCCCCC1 ZINC001028017107 800828386 /nfs/dbraw/zinc/82/83/86/800828386.db2.gz QLDSWQFWEASZAD-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028329194 800843201 /nfs/dbraw/zinc/84/32/01/800843201.db2.gz HZBODUYJXHFIRG-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028341149 800844787 /nfs/dbraw/zinc/84/47/87/800844787.db2.gz ZUAYXBDBJPXSNY-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001029453780 800869094 /nfs/dbraw/zinc/86/90/94/800869094.db2.gz KRQANSOEFIPPLK-AIANPOQGSA-N 0 3 296.430 3.012 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634798 800971856 /nfs/dbraw/zinc/97/18/56/800971856.db2.gz YMPISQTUMXJBPV-QGZVFWFLSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033679029 800973005 /nfs/dbraw/zinc/97/30/05/800973005.db2.gz RYTVEJWWOUGFCF-GOSISDBHSA-N 0 3 298.430 3.286 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033927823 800989540 /nfs/dbraw/zinc/98/95/40/800989540.db2.gz QNRUECBSFOTAKK-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034162455 801009898 /nfs/dbraw/zinc/00/98/98/801009898.db2.gz SNLREUFLMAASQQ-OAHLLOKOSA-N 0 3 294.414 3.331 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001034222371 801012863 /nfs/dbraw/zinc/01/28/63/801012863.db2.gz CLKHAIYLTMQPGV-SJORKVTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001034263725 801014882 /nfs/dbraw/zinc/01/48/82/801014882.db2.gz BLQQYFZBUALSBQ-IAGOWNOFSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034354563 801019583 /nfs/dbraw/zinc/01/95/83/801019583.db2.gz MUCWIRQZFUTBNU-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(CC)CC)CC2 ZINC001035854661 801062816 /nfs/dbraw/zinc/06/28/16/801062816.db2.gz DJWXGGSLWJGYEK-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(C)(C)C1 ZINC001039424054 801161521 /nfs/dbraw/zinc/16/15/21/801161521.db2.gz ZDIJAFAHIZRPRY-CVEARBPZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@H]21 ZINC001042339994 801205205 /nfs/dbraw/zinc/20/52/05/801205205.db2.gz DADUWXQEXLYVPS-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046328372 801306745 /nfs/dbraw/zinc/30/67/45/801306745.db2.gz YTRWHUHSFNKMQA-HDMKZQKVSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)s2)CC[C@H]1C ZINC001071299020 801524654 /nfs/dbraw/zinc/52/46/54/801524654.db2.gz DTDQGVRVQSMEJA-OCCSQVGLSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(C)c2)CC[C@@H]1C ZINC001071317241 801526572 /nfs/dbraw/zinc/52/65/72/801526572.db2.gz QCEBRVPGCXJKFK-RDJZCZTQSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)oc2C)CC[C@@H]1C ZINC001071333780 801529772 /nfs/dbraw/zinc/52/97/72/801529772.db2.gz BDAVOJFKPODJPH-SWLSCSKDSA-N 0 3 290.407 3.055 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373729 801533019 /nfs/dbraw/zinc/53/30/19/801533019.db2.gz NQXJAAZPORAYCF-DOTOQJQBSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@@H]1C ZINC001071414681 801533888 /nfs/dbraw/zinc/53/38/88/801533888.db2.gz VQKRIPMDHBLPAD-KBPBESRZSA-N 0 3 292.467 3.214 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C3(CC)CCCCC3)C2)C1 ZINC001073455104 801579811 /nfs/dbraw/zinc/57/98/11/801579811.db2.gz ZFZTXWCZSWYAHK-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN CCC(C#N)(CC)NC1CCN(Cc2ccccc2)CC1 ZINC001256603693 806923276 /nfs/dbraw/zinc/92/32/76/806923276.db2.gz FOXGTUSLEXIRBX-UHFFFAOYSA-N 0 3 285.435 3.323 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccsc1C ZINC001085586888 801696648 /nfs/dbraw/zinc/69/66/48/801696648.db2.gz DZHYOIPGRCKHPI-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085939626 801712727 /nfs/dbraw/zinc/71/27/27/801712727.db2.gz MRONBDXCVXLBLY-HNNXBMFYSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cscc2C)[C@H]1CC ZINC001087533730 801754074 /nfs/dbraw/zinc/75/40/74/801754074.db2.gz FLNPIUOFCBOCOM-LSDHHAIUSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1CC ZINC001087621417 801759437 /nfs/dbraw/zinc/75/94/37/801759437.db2.gz UEIGAZDVEBBIOC-YESZJQIVSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1CC ZINC001087816287 801768176 /nfs/dbraw/zinc/76/81/76/801768176.db2.gz FHOHJHJGLRCVDF-DLBZAZTESA-N 0 3 286.419 3.072 20 30 CGEDHN C=C1CCC(C(=O)N[C@H]2CCN(CC=C(C)C)[C@@H]2C)CC1 ZINC001088835557 801808395 /nfs/dbraw/zinc/80/83/95/801808395.db2.gz CLMJUFBKVMXHKM-WBVHZDCISA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC001089065319 801818922 /nfs/dbraw/zinc/81/89/22/801818922.db2.gz ZQOLKBIMETZPBY-KDOFPFPSSA-N 0 3 298.430 3.333 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NCCCNCC=C(Cl)Cl ZINC001164360215 806940119 /nfs/dbraw/zinc/94/01/19/806940119.db2.gz GWRVUGOTQVKYHD-LLVKDONJSA-N 0 3 293.238 3.004 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089696214 801850865 /nfs/dbraw/zinc/85/08/65/801850865.db2.gz UXXGFLXOCVRAKI-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)=C1CCCC1)C2 ZINC001096951938 801896617 /nfs/dbraw/zinc/89/66/17/801896617.db2.gz OTLMXUJDCNEGOF-KFWWJZLASA-N 0 3 292.398 3.082 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCCC ZINC001098900509 801920360 /nfs/dbraw/zinc/92/03/60/801920360.db2.gz QZNRKXUFGRWTQG-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C(/C)CC ZINC001099054352 801928542 /nfs/dbraw/zinc/92/85/42/801928542.db2.gz DLTDLKUKZVDTAQ-SZGZABIGSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C=C)CC ZINC001099188428 801932407 /nfs/dbraw/zinc/93/24/07/801932407.db2.gz FZAPAVVFQWQKHJ-HOTGVXAUSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C(C)C)CC1 ZINC001099220452 801933869 /nfs/dbraw/zinc/93/38/69/801933869.db2.gz NQMKLUVWECMZLC-HNNXBMFYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CC(C)(C)CC)C1 ZINC001100362221 801947794 /nfs/dbraw/zinc/94/77/94/801947794.db2.gz XSGAHCVJNQIICN-UHFFFAOYSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)C)C2 ZINC001109748317 802123732 /nfs/dbraw/zinc/12/37/32/802123732.db2.gz QWAHUOAQMVMHTH-PMPSAXMXSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)CC)C2 ZINC001110594103 802144947 /nfs/dbraw/zinc/14/49/47/802144947.db2.gz DRBDBDRZAQPOFT-KFWWJZLASA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)C(C)C)C2 ZINC001111082633 802154186 /nfs/dbraw/zinc/15/41/86/802154186.db2.gz BUPOEGHFWQGVAE-TWMKSMIVSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001111073421 802154298 /nfs/dbraw/zinc/15/42/98/802154298.db2.gz JXKLNJHOJYQMKB-YJNKXOJESA-N 0 3 296.430 3.058 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001111082634 802155368 /nfs/dbraw/zinc/15/53/68/802155368.db2.gz BUPOEGHFWQGVAE-VQHPVUNQSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001111929799 802172051 /nfs/dbraw/zinc/17/20/51/802172051.db2.gz ASULUIQORVVEOG-RYRKJORJSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001112895997 802195966 /nfs/dbraw/zinc/19/59/66/802195966.db2.gz APBSUAYOEFLCAI-MRXNPFEDSA-N 0 3 294.483 3.415 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC(C)(C)CC)CC1 ZINC001112890348 802196059 /nfs/dbraw/zinc/19/60/59/802196059.db2.gz DIHBXHRAOLEXGH-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001113209662 802204558 /nfs/dbraw/zinc/20/45/58/802204558.db2.gz NGMJGKZJFHBPOM-MRXNPFEDSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)CCC2CC2)CCCCC1 ZINC001115456617 802262359 /nfs/dbraw/zinc/26/23/59/802262359.db2.gz ZNBWXLDLXOAEED-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C=C(/C)CC)C2 ZINC001121072599 802803136 /nfs/dbraw/zinc/80/31/36/802803136.db2.gz WTNPPFUVMBUTSN-WZUFQYTHSA-N 0 3 296.842 3.112 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001122173873 802862534 /nfs/dbraw/zinc/86/25/34/802862534.db2.gz QHLRWDREGJBMCB-CYBMUJFWSA-N 0 3 295.814 3.028 20 30 CGEDHN C#CC[C@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC001201522998 811882814 /nfs/dbraw/zinc/88/28/14/811882814.db2.gz ZNLHJHQUUPGNMM-HNNXBMFYSA-N 0 3 291.354 3.123 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C1(CCc2ccccc2)CC1 ZINC001122518901 802874172 /nfs/dbraw/zinc/87/41/72/802874172.db2.gz RYIKTXVKMMRRGA-OAHLLOKOSA-N 0 3 293.370 3.009 20 30 CGEDHN CC(C)(Oc1ccccc1)C(=O)C(C#N)c1cccc(F)n1 ZINC001122711703 802882408 /nfs/dbraw/zinc/88/24/08/802882408.db2.gz ASYUFJFNNVPPPN-CYBMUJFWSA-N 0 3 298.317 3.255 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1ccoc1C1CC1 ZINC001123234626 802920500 /nfs/dbraw/zinc/92/05/00/802920500.db2.gz YTYYZKCPBVRDPO-JTQLQIEISA-N 0 3 289.722 3.034 20 30 CGEDHN C=C(CC(C)C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001123779436 802969511 /nfs/dbraw/zinc/96/95/11/802969511.db2.gz GGZBJNNZUABRBW-MRXNPFEDSA-N 0 3 292.398 3.147 20 30 CGEDHN CN1CCc2ccc(C3=CC[C@H](C#N)CC3)cc2C1 ZINC001243794430 803012735 /nfs/dbraw/zinc/01/27/35/803012735.db2.gz OAHRRAQMANQBKH-ZDUSSCGKSA-N 0 3 252.361 3.382 20 30 CGEDHN C=C(C)CCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001128404743 803190170 /nfs/dbraw/zinc/19/01/70/803190170.db2.gz CLTBKSILJNYZCS-UHFFFAOYSA-N 0 3 298.789 3.041 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)(C)C2CC2)CC[C@H]1C ZINC001132007340 803366780 /nfs/dbraw/zinc/36/67/80/803366780.db2.gz ZKXHGSFFTHLGEU-GDBMZVCRSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132244910 803386497 /nfs/dbraw/zinc/38/64/97/803386497.db2.gz KXWZRXCDFMUCDL-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CC)C2)CCCC1 ZINC001132546194 803413218 /nfs/dbraw/zinc/41/32/18/803413218.db2.gz JLSHJDPUAOBTRG-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN N#C[C@H]1CCCN(Cc2ccccc2N2CCCC2)CC1 ZINC001138611924 803980241 /nfs/dbraw/zinc/98/02/41/803980241.db2.gz WVJVNOVLVSOIIP-INIZCTEOSA-N 0 3 283.419 3.412 20 30 CGEDHN C=C(C)COc1ccccc1CN(CC)CCC(=O)OC ZINC001138665928 803999099 /nfs/dbraw/zinc/99/90/99/803999099.db2.gz CSTCUGJCYXMPMU-UHFFFAOYSA-N 0 3 291.391 3.027 20 30 CGEDHN Cn1ccc2ccc(CN3CCC[C@@H](CC#N)C3)cc21 ZINC001139203798 804161149 /nfs/dbraw/zinc/16/11/49/804161149.db2.gz ADIGAFXZGWNRBA-AWEZNQCLSA-N 0 3 267.376 3.304 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001139555431 804209647 /nfs/dbraw/zinc/20/96/47/804209647.db2.gz WVEJUXDBKWZAJU-CQSZACIVSA-N 0 3 280.375 3.202 20 30 CGEDHN CCCCCCCC[C@@H](CC)N[C@@H]1CNCCC1=O ZINC001246293928 804261670 /nfs/dbraw/zinc/26/16/70/804261670.db2.gz PYFMRVOYHPIBCS-HUUCEWRRSA-N 0 3 268.445 3.036 20 30 CGEDHN C=CCn1cc(CN2CC[C@H](c3ccccc3F)C2)cn1 ZINC001139770659 804278169 /nfs/dbraw/zinc/27/81/69/804278169.db2.gz VYSWEHCDTRETQB-HNNXBMFYSA-N 0 3 285.366 3.198 20 30 CGEDHN O=C1C=C2CN(Cc3cc(F)cc(Cl)c3)CCC2S1 ZINC001140537447 804455300 /nfs/dbraw/zinc/45/53/00/804455300.db2.gz SLEJPCHIHTVINO-ZDUSSCGKSA-N 0 3 297.782 3.253 20 30 CGEDHN Cc1cc(C)c(C[NH2+]C2CCC(C#N)CC2)c([O-])c1 ZINC001256959776 807016367 /nfs/dbraw/zinc/01/63/67/807016367.db2.gz SXHJEYCAJPEVIC-UHFFFAOYSA-N 0 3 258.365 3.181 20 30 CGEDHN CSc1nc(CN(C)CC2CC(F)(F)C2)ccc1C#N ZINC001141941540 804680560 /nfs/dbraw/zinc/68/05/60/804680560.db2.gz NTVYDPHLOOEJDX-UHFFFAOYSA-N 0 3 297.374 3.152 20 30 CGEDHN C=C1CC(c2nc(-c3ccc(CN(C)C)cc3)no2)C1 ZINC001247741984 804811444 /nfs/dbraw/zinc/81/14/44/804811444.db2.gz OJBRZELIBCHSOG-UHFFFAOYSA-N 0 3 269.348 3.232 20 30 CGEDHN N#Cc1cncc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001144083941 804935023 /nfs/dbraw/zinc/93/50/23/804935023.db2.gz ZNXACBIUKNITSU-MRXNPFEDSA-N 0 3 281.334 3.082 20 30 CGEDHN C#CC1CCN(Cc2cn(C)c3ccnc(Cl)c23)CC1 ZINC001248838528 805015418 /nfs/dbraw/zinc/01/54/18/805015418.db2.gz YHVTVJXKJQLOME-UHFFFAOYSA-N 0 3 287.794 3.072 20 30 CGEDHN C#CC[C@]1(c2nc(-c3cc(C)c(F)c(C)c3)no2)CCCN1 ZINC001249351810 805133529 /nfs/dbraw/zinc/13/35/29/805133529.db2.gz KBNPBMHGYDXLFO-QGZVFWFLSA-N 0 3 299.349 3.095 20 30 CGEDHN COc1cc(CN2CCC(S)CC2)ccc1SC ZINC001249377614 805135603 /nfs/dbraw/zinc/13/56/03/805135603.db2.gz AOZOSKLUGASPOB-UHFFFAOYSA-N 0 3 283.462 3.311 20 30 CGEDHN N#Cc1ccc2cc(CN3CC[C@@]4(C3)CCCCO4)[nH]c2c1 ZINC001249426647 805147393 /nfs/dbraw/zinc/14/73/93/805147393.db2.gz BCHQOOLZJGVJHY-GOSISDBHSA-N 0 3 295.386 3.185 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)CCCCCC)C2)C1 ZINC001148477041 805186106 /nfs/dbraw/zinc/18/61/06/805186106.db2.gz FZUOTNAMXGPPJI-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166756321 807092293 /nfs/dbraw/zinc/09/22/93/807092293.db2.gz SVKUYNSVBQXDPN-AWEZNQCLSA-N 0 3 298.858 3.217 20 30 CGEDHN CCCCCC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001257371878 807130707 /nfs/dbraw/zinc/13/07/07/807130707.db2.gz LMSTYRDMRXSSLT-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN CN(C)/C=N/c1ccc(N[C@H]2CC[C@H](C#N)CC2)cc1C#N ZINC001167844878 807261416 /nfs/dbraw/zinc/26/14/16/807261416.db2.gz CEWASNJIHAYLLN-KDLIPHOUSA-N 0 3 295.390 3.274 20 30 CGEDHN N#Cc1cc2c(cccc2N(C(=N)N)c2ccc(F)cc2)[nH]1 ZINC001167991947 807292653 /nfs/dbraw/zinc/29/26/53/807292653.db2.gz MRYYEDFVZSMBDL-UHFFFAOYSA-N 0 3 293.305 3.210 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N1CCC[C@@H](CC#N)C1 ZINC001168492377 807434992 /nfs/dbraw/zinc/43/49/92/807434992.db2.gz RBPWRLZXYFQAJB-KBPBESRZSA-N 0 3 260.356 3.382 20 30 CGEDHN C=C[C@@H](N[C@H](C)CCC(=O)OCC)c1ccccc1 ZINC001258485376 807475984 /nfs/dbraw/zinc/47/59/84/807475984.db2.gz DGXVLIOBUORVKF-UKRRQHHQSA-N 0 3 261.365 3.235 20 30 CGEDHN C[C@@H]1C[C@H](NC(=N)c2ccc(F)cn2)CC(C)(C)C1 ZINC001258687422 807543584 /nfs/dbraw/zinc/54/35/84/807543584.db2.gz JQQOJCPJTCAONI-PWSUYJOCSA-N 0 3 263.360 3.141 20 30 CGEDHN C=CCC[C@H](C)NCc1cn(Cc2ccccc2OC)cn1 ZINC001258723665 807572614 /nfs/dbraw/zinc/57/26/14/807572614.db2.gz BSCJSUBPBFWOOR-HNNXBMFYSA-N 0 3 299.418 3.384 20 30 CGEDHN C=CCC[C@@H](C)N1CC2(C1)CCCN2C(=O)OC(C)(C)C ZINC001258727243 807574476 /nfs/dbraw/zinc/57/44/76/807574476.db2.gz FZRFPRPBTYPPNW-CQSZACIVSA-N 0 3 294.439 3.426 20 30 CGEDHN C[C@@H](CC#N)NC1CCC(OC(=O)c2ccccc2)CC1 ZINC001169283375 807622234 /nfs/dbraw/zinc/62/22/34/807622234.db2.gz LMRFUHFRVPBSDM-JEYLPNPQSA-N 0 3 286.375 3.046 20 30 CGEDHN CC(C)CC(CC(C)C)NC(=N)c1ccc(F)cn1 ZINC001258831386 807647044 /nfs/dbraw/zinc/64/70/44/807647044.db2.gz MYWVSYFYCCVYCL-UHFFFAOYSA-N 0 3 265.376 3.387 20 30 CGEDHN CC1(C)CC(=O)C=C(Nc2cc(N)c(C(F)(F)F)cn2)C1 ZINC001169950843 807728428 /nfs/dbraw/zinc/72/84/28/807728428.db2.gz GWSZDFVIRUUOTI-UHFFFAOYSA-N 0 3 299.296 3.368 20 30 CGEDHN C[C@@H](CC#N)NC1CCC(C#N)(c2ccccc2)CC1 ZINC001170372159 807831442 /nfs/dbraw/zinc/83/14/42/807831442.db2.gz ZHICXGIEHBDDEP-OOHWJJMZSA-N 0 3 267.376 3.282 20 30 CGEDHN N#C[C@H]1CCCN([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170701603 807877615 /nfs/dbraw/zinc/87/76/15/807877615.db2.gz QSWMPIAHGFBVSZ-SWLSCSKDSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001171199911 808007747 /nfs/dbraw/zinc/00/77/47/808007747.db2.gz IWRWVUMUAQXFFJ-CYBMUJFWSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001264180403 808044899 /nfs/dbraw/zinc/04/48/99/808044899.db2.gz CIDRPTAIZOGMMY-WOLCWHLNSA-N 0 3 278.440 3.088 20 30 CGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001264369353 808061009 /nfs/dbraw/zinc/06/10/09/808061009.db2.gz UYRPPCWOVUHPGC-NBEHIINDSA-N 0 3 290.451 3.069 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001265221315 808120470 /nfs/dbraw/zinc/12/04/70/808120470.db2.gz XRQLHSVYLBFIMZ-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001265327294 808131543 /nfs/dbraw/zinc/13/15/43/808131543.db2.gz FEVZBCSALCVUMM-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C/C=C(/C)C=C)CC1 ZINC001265339961 808132740 /nfs/dbraw/zinc/13/27/40/808132740.db2.gz DCSFRTYZBMUGQE-PXNMLYILSA-N 0 3 290.451 3.398 20 30 CGEDHN CC#CCN1CCC[C@H](CNC(=O)CCCCC(C)C)C1 ZINC001265592859 808158609 /nfs/dbraw/zinc/15/86/09/808158609.db2.gz LHZCNVICYPNILU-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC(CC)CC)C1 ZINC001265708466 808172295 /nfs/dbraw/zinc/17/22/95/808172295.db2.gz OHWXKNVSJRYCTA-RDJZCZTQSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)N[C@H]1COC(C)(C)C1 ZINC001172278065 808210998 /nfs/dbraw/zinc/21/09/98/808210998.db2.gz QRWIBNHOZSFUKK-ZIAGYGMSSA-N 0 3 275.392 3.470 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cccnc1Cl ZINC001172294934 808218406 /nfs/dbraw/zinc/21/84/06/808218406.db2.gz NWDOVLZUQNWHST-LBPRGKRZSA-N 0 3 285.778 3.327 20 30 CGEDHN CC[C@@H](C)OCC[C@@H](C)NC1(CC#N)CCCC1 ZINC001172337453 808239537 /nfs/dbraw/zinc/23/95/37/808239537.db2.gz KJHAENLZHLUADB-ZIAGYGMSSA-N 0 3 252.402 3.396 20 30 CGEDHN C=CCCCC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001266315807 808241280 /nfs/dbraw/zinc/24/12/80/808241280.db2.gz GMKZSUYIHDRRKG-UHFFFAOYSA-N 0 3 288.435 3.208 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001266320376 808242070 /nfs/dbraw/zinc/24/20/70/808242070.db2.gz JBSXHPCEHUBZDI-CYBMUJFWSA-N 0 3 294.826 3.068 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CCOC[C@@H]1COC ZINC001172362366 808257048 /nfs/dbraw/zinc/25/70/48/808257048.db2.gz WQOXOUDZMQGHAC-CVEARBPZSA-N 0 3 271.445 3.473 20 30 CGEDHN C=CCN(CC)CCNC(=O)C[C@@H](C)c1ccccc1C ZINC001266420976 808260684 /nfs/dbraw/zinc/26/06/84/808260684.db2.gz OZJIAMQJHPPFJO-MRXNPFEDSA-N 0 3 288.435 3.113 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001266497973 808276657 /nfs/dbraw/zinc/27/66/57/808276657.db2.gz OFANMMDDPGILQU-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCN(CCC)CCNC(=O)c1ccccc1C1CCC1 ZINC001266577565 808289707 /nfs/dbraw/zinc/28/97/07/808289707.db2.gz PYNWWBIDTFTHFP-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN C[C@@H](CCCC#N)N(C)Cc1ccc(F)cc1F ZINC001172497884 808355615 /nfs/dbraw/zinc/35/56/15/808355615.db2.gz HFKMHCXKGMQVQJ-NSHDSACASA-N 0 3 252.308 3.479 20 30 CGEDHN CCCCCCC[C@H](CCC)N[C@H]1C=CS(=O)(=O)C1 ZINC001172502478 808359021 /nfs/dbraw/zinc/35/90/21/808359021.db2.gz QCCWTPLDRAYXKV-GJZGRUSLSA-N 0 3 287.469 3.416 20 30 CGEDHN N#C[C@H]1CCCN([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721412 808419128 /nfs/dbraw/zinc/41/91/28/808419128.db2.gz DXADOFDAVGACDR-LRDDRELGSA-N 0 3 274.795 3.433 20 30 CGEDHN C=CCCC(=O)NC[C@@H](NCC=C(C)C)c1ccccc1 ZINC001267516143 808436192 /nfs/dbraw/zinc/43/61/92/808436192.db2.gz APDFNAPILAKQQB-QGZVFWFLSA-N 0 3 286.419 3.366 20 30 CGEDHN C#CCCN[C@@H](CNC(=O)CC(C)(C)C=C)c1ccccc1 ZINC001267521684 808438071 /nfs/dbraw/zinc/43/80/71/808438071.db2.gz VAANXQYITVSIHY-KRWDZBQOSA-N 0 3 298.430 3.059 20 30 CGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCCC(C)C)C1 ZINC001267789425 808494391 /nfs/dbraw/zinc/49/43/91/808494391.db2.gz FKLVRHVPZKLVPL-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN N#CCCN(C1CCCC1)[C@H]1CCc2ncsc2C1 ZINC001173139475 808524083 /nfs/dbraw/zinc/52/40/83/808524083.db2.gz UHFUSGLXFHBVQC-ZDUSSCGKSA-N 0 3 275.421 3.159 20 30 CGEDHN CCCCCCCC[C@H](CCC)NC1CS(=O)(=O)C1 ZINC001173308722 808604792 /nfs/dbraw/zinc/60/47/92/808604792.db2.gz OQBRGZNWEGRZQW-AWEZNQCLSA-N 0 3 289.485 3.292 20 30 CGEDHN C=CCOC1CCC([NH2+]Cc2ccc([O-])cc2F)CC1 ZINC001173317098 808609161 /nfs/dbraw/zinc/60/91/61/808609161.db2.gz RXRIRRBFBNIPQM-UHFFFAOYSA-N 0 3 279.355 3.135 20 30 CGEDHN N#CCC1CCC(NCc2ncc(Cl)s2)CC1 ZINC001173333601 808617196 /nfs/dbraw/zinc/61/71/96/808617196.db2.gz KWDSLNCPJVDUQJ-UHFFFAOYSA-N 0 3 269.801 3.359 20 30 CGEDHN CC(=O)[C@@H](NC1CCC(C)(C#N)CC1)c1ccccc1 ZINC001173586168 808645810 /nfs/dbraw/zinc/64/58/10/808645810.db2.gz KNHCZQCMFVOPIV-AQFXKWCLSA-N 0 3 270.376 3.379 20 30 CGEDHN Cc1cc2c(cn1)CN(C1CCC(C)(C#N)CC1)C2 ZINC001173598641 808651455 /nfs/dbraw/zinc/65/14/55/808651455.db2.gz SHWJBNYJFSYWLB-UHFFFAOYSA-N 0 3 255.365 3.178 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001269189123 808652856 /nfs/dbraw/zinc/65/28/56/808652856.db2.gz OMTYUOLNSOKKKS-OCCSQVGLSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCCC(C)(C)C)C1 ZINC001269246219 808659339 /nfs/dbraw/zinc/65/93/39/808659339.db2.gz ULEWKFADTIBDRO-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN CN(C)Cc1ccccc1Nc1cccc(C#N)c1 ZINC001173930198 808769847 /nfs/dbraw/zinc/76/98/47/808769847.db2.gz VUANWVUWKWPOIW-UHFFFAOYSA-N 0 3 251.333 3.363 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CCC)CCC1 ZINC001272031888 808793747 /nfs/dbraw/zinc/79/37/47/808793747.db2.gz AVQOUHFNIQKUCA-JKSUJKDBSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C(C1CCC1)C1CCC1 ZINC001272093707 808795870 /nfs/dbraw/zinc/79/58/70/808795870.db2.gz UATHDLMZBVDKQM-UHFFFAOYSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001272158836 808799296 /nfs/dbraw/zinc/79/92/96/808799296.db2.gz XGEOQIJAIVTAIH-UHFFFAOYSA-N 0 3 288.435 3.174 20 30 CGEDHN C=CCCC(=O)NC[C@H]1c2ccccc2CCN1CCC=C ZINC001274847524 808889862 /nfs/dbraw/zinc/88/98/62/808889862.db2.gz PGFWPYGPHMWLOK-SFHVURJKSA-N 0 3 298.430 3.244 20 30 CGEDHN C=CCCCN1CC2(CCN2CCCC(F)(F)F)C1 ZINC001274962131 808894898 /nfs/dbraw/zinc/89/48/98/808894898.db2.gz HHDGCWCTYRKALJ-UHFFFAOYSA-N 0 3 276.346 3.055 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)CCCC ZINC001275086546 808906957 /nfs/dbraw/zinc/90/69/57/808906957.db2.gz DCDRYRIYPIRARA-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1csc2ccccc21 ZINC001275886952 808974200 /nfs/dbraw/zinc/97/42/00/808974200.db2.gz IPXULPWOLBTHRF-LBPRGKRZSA-N 0 3 288.416 3.137 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC2(CCN2C2CCCC2)C1 ZINC001276858887 809036905 /nfs/dbraw/zinc/03/69/05/809036905.db2.gz QKMIXZBCEXTWEK-UHFFFAOYSA-N 0 3 295.430 3.069 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)CC1(C=C)CCCCC1 ZINC001276942410 809048826 /nfs/dbraw/zinc/04/88/26/809048826.db2.gz WGJWNZYXGLNGPF-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)CC1CCCC1 ZINC001277114669 809058128 /nfs/dbraw/zinc/05/81/28/809058128.db2.gz QQTFEWCXCAVNKA-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@]1(C)CC=CCC1 ZINC001277193078 809062476 /nfs/dbraw/zinc/06/24/76/809062476.db2.gz APGWOZFWVHIPJQ-HOCLYGCPSA-N 0 3 298.858 3.360 20 30 CGEDHN CCCCCCCCCN1CC2(C[C@H]2C(=O)N(C)C)C1 ZINC001277233950 809064366 /nfs/dbraw/zinc/06/43/66/809064366.db2.gz TWNNQKSASAJYEO-HNNXBMFYSA-N 0 3 280.456 3.147 20 30 CGEDHN Cc1cnccc1Nc1cccc(C#N)c1Br ZINC001174538534 809070655 /nfs/dbraw/zinc/07/06/55/809070655.db2.gz JIXVMQDONCOJPH-UHFFFAOYSA-N 0 3 288.148 3.190 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](CC)C(C)C ZINC001277359256 809071167 /nfs/dbraw/zinc/07/11/67/809071167.db2.gz BRXMGBHUQHBNAJ-ZACQAIPSSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001277431279 809075562 /nfs/dbraw/zinc/07/55/62/809075562.db2.gz CHOHQRLJRCWKEW-CALCHBBNSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCCCC(C)C ZINC001281965273 809226125 /nfs/dbraw/zinc/22/61/25/809226125.db2.gz QHZHNXMOGLMBGC-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](CC)CCC)CC1 ZINC001284699386 809315308 /nfs/dbraw/zinc/31/53/08/809315308.db2.gz HEJLRSILASWUHS-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)/C=C(/C)CC)c(F)c1 ZINC001285003483 809321462 /nfs/dbraw/zinc/32/14/62/809321462.db2.gz AEPOOJWUINPMMB-LCYFTJDESA-N 0 3 290.382 3.074 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc3[nH]ccc3c2)cc1 ZINC001178754202 809886147 /nfs/dbraw/zinc/88/61/47/809886147.db2.gz GAKNLLNKYOHVAN-UHFFFAOYSA-N 0 3 290.366 3.470 20 30 CGEDHN Cc1cc(CNCc2ccc(C)c(C#N)c2)cc(C)n1 ZINC001179562525 809929430 /nfs/dbraw/zinc/92/94/30/809929430.db2.gz CMSFYTFYQBNQBB-UHFFFAOYSA-N 0 3 265.360 3.168 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(O)c(F)c1 ZINC001180332889 809994823 /nfs/dbraw/zinc/99/48/23/809994823.db2.gz WFQDQAJIYWKWLQ-UHFFFAOYSA-N 0 3 275.323 3.355 20 30 CGEDHN C[C@@H](C#N)c1ccc(NC(=O)CN(C)C2CCCC2)cc1 ZINC001180629210 810015274 /nfs/dbraw/zinc/01/52/74/810015274.db2.gz PUFMPTWVVSSLJJ-ZDUSSCGKSA-N 0 3 285.391 3.127 20 30 CGEDHN CCCCCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC001191097293 810675447 /nfs/dbraw/zinc/67/54/47/810675447.db2.gz IRANKRGKHMHTTC-UHFFFAOYSA-N 0 3 295.471 3.227 20 30 CGEDHN CCCCCCCCOC(=O)NC[C@H]1CCCN1C ZINC001194748319 811122331 /nfs/dbraw/zinc/12/23/31/811122331.db2.gz RJRLYVQEKMCVRA-CQSZACIVSA-N 0 3 270.417 3.167 20 30 CGEDHN C=C(C)CCC(=O)N1CCCN(CCCCCF)CC1 ZINC001196018486 811312291 /nfs/dbraw/zinc/31/22/91/811312291.db2.gz WHCYPLDDFVAWEC-UHFFFAOYSA-N 0 3 284.419 3.017 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(CC[C@@H](C)F)CC2)CCC1 ZINC001197077170 811396429 /nfs/dbraw/zinc/39/64/29/811396429.db2.gz PSIZIWXAHZHMER-OAHLLOKOSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(CC[C@H](C)F)CC2)CCC1 ZINC001197077169 811396667 /nfs/dbraw/zinc/39/66/67/811396667.db2.gz PSIZIWXAHZHMER-HNNXBMFYSA-N 0 3 296.430 3.015 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@@H](CC)CCCCC)CC1 ZINC001198204511 811484311 /nfs/dbraw/zinc/48/43/11/811484311.db2.gz ISUBCDADEPERBM-KRWDZBQOSA-N 0 3 292.467 3.151 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCO[C@@H](c3ccccc3)CC2)C1 ZINC001198708559 811537773 /nfs/dbraw/zinc/53/77/73/811537773.db2.gz ZDYWKVHIJVKKAQ-HYVNUMGLSA-N 0 3 270.376 3.142 20 30 CGEDHN CCCCCCCCCCCN1CCNC(=O)CC1 ZINC001201631269 811926134 /nfs/dbraw/zinc/92/61/34/811926134.db2.gz NOUITYJOQPHAMR-UHFFFAOYSA-N 0 3 268.445 3.339 20 30 CGEDHN N#CC1(c2ccccc2F)CCN(CC2CCC2)CC1 ZINC001202791655 812175195 /nfs/dbraw/zinc/17/51/95/812175195.db2.gz CICPHQLRNHRRQE-UHFFFAOYSA-N 0 3 272.367 3.483 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC001205650963 813042051 /nfs/dbraw/zinc/04/20/51/813042051.db2.gz XNFMFQSWEHFDQK-SFHVURJKSA-N 0 3 291.329 3.346 20 30 CGEDHN CCOC(=O)C1(C#N)CCN(CCC2CCCCC2)CC1 ZINC001207261604 813523898 /nfs/dbraw/zinc/52/38/98/813523898.db2.gz YUQCJRJTRKNZEU-UHFFFAOYSA-N 0 3 292.423 3.126 20 30 CGEDHN CN1CC=C(Nc2c(C#N)ccc3ccccc32)CC1 ZINC001208837489 813858399 /nfs/dbraw/zinc/85/83/99/813858399.db2.gz JVHUMGLFLVDXGL-UHFFFAOYSA-N 0 3 263.344 3.343 20 30 CGEDHN CN1CC=C(Nc2ccc(C#N)cc2OC(F)(F)F)CC1 ZINC001208837425 813858934 /nfs/dbraw/zinc/85/89/34/813858934.db2.gz IJZURKKWUADIKK-UHFFFAOYSA-N 0 3 297.280 3.088 20 30 CGEDHN C[C@@H](CN1CC[C@](CF)(C(F)(F)F)C1)C(F)(F)F ZINC001208896556 813886263 /nfs/dbraw/zinc/88/62/63/813886263.db2.gz WVCYQSGAEAKDQR-JGVFFNPUSA-N 0 3 281.215 3.409 20 30 CGEDHN C=CCCCN1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001209158401 813951308 /nfs/dbraw/zinc/95/13/08/813951308.db2.gz NGWUVEMNTFAKHX-KBPBESRZSA-N 0 3 280.412 3.036 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001209380843 814006430 /nfs/dbraw/zinc/00/64/30/814006430.db2.gz OIWVRTLLPDPVPI-BFYDXBDKSA-N 0 3 292.467 3.215 20 30 CGEDHN CN(Cc1ccc(-c2ccccc2C#N)nc1)C1CC1 ZINC001242716028 823110559 /nfs/dbraw/zinc/11/05/59/823110559.db2.gz PIWBWSHNJVNXOB-UHFFFAOYSA-N 0 3 263.344 3.214 20 30 CGEDHN C[C@@H]1CC(=O)C=C(c2cnc3[nH]cc(CN(C)C)c3c2)C1 ZINC001242741909 823118416 /nfs/dbraw/zinc/11/84/16/823118416.db2.gz DDIBRLTZKRPKES-NSHDSACASA-N 0 3 283.375 3.007 20 30 CGEDHN C[C@H]1CC(=O)C=C(Nc2cnccc2N2CCCCC2)C1 ZINC001210772162 814618363 /nfs/dbraw/zinc/61/83/63/814618363.db2.gz ZFTFKJKMNUWTKM-CYBMUJFWSA-N 0 3 285.391 3.367 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001211248277 814859466 /nfs/dbraw/zinc/85/94/66/814859466.db2.gz SQRVJVMMGZUUDU-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN Cc1ccccc1[C@H](O[C@@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC001217830069 815971871 /nfs/dbraw/zinc/97/18/71/815971871.db2.gz COAAWERDZHNPPD-QXAKKESOSA-N 0 3 292.382 3.213 20 30 CGEDHN COc1cc(C#N)cc(C)c1O[C@@H]1CNCc2ccccc21 ZINC001218493339 816246572 /nfs/dbraw/zinc/24/65/72/816246572.db2.gz MNXFTCVMQCQZNM-QGZVFWFLSA-N 0 3 294.354 3.099 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001224198635 816753025 /nfs/dbraw/zinc/75/30/25/816753025.db2.gz RYUQKGKCBXAQQA-GOEBONIOSA-N 0 3 298.446 3.165 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001231179950 818054213 /nfs/dbraw/zinc/05/42/13/818054213.db2.gz YALIPDHAZMKSSG-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN CN(Cc1c[nH]c2cnccc12)Cc1ccc(C#N)cc1 ZINC001231518437 818118571 /nfs/dbraw/zinc/11/85/71/818118571.db2.gz HRWKVTSDTTVXGH-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN CC[C@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233101597 818521859 /nfs/dbraw/zinc/52/18/59/818521859.db2.gz ANZMNCUEAINVKD-ZDUSSCGKSA-N 0 3 289.398 3.385 20 30 CGEDHN C/C=C(\C)C(=O)N(C)C[C@H]1CCN1CCCCCCC ZINC001233568919 818644487 /nfs/dbraw/zinc/64/44/87/818644487.db2.gz HIYHOVZRRHSSNF-KNDGBBJPSA-N 0 3 280.456 3.456 20 30 CGEDHN CC#C[C@@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234240471 818812016 /nfs/dbraw/zinc/81/20/16/818812016.db2.gz HICUIWYJPSUGAP-CYBMUJFWSA-N 0 3 279.355 3.077 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555588 818880942 /nfs/dbraw/zinc/88/09/42/818880942.db2.gz XDCMSRWLOGKLCD-AWEZNQCLSA-N 0 3 298.858 3.264 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001234614756 818892636 /nfs/dbraw/zinc/89/26/36/818892636.db2.gz UYPUNARGTUTVFY-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C[C@@H](CC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657527 818906841 /nfs/dbraw/zinc/90/68/41/818906841.db2.gz DMUTYFYCYQRQMD-INIZCTEOSA-N 0 3 274.408 3.172 20 30 CGEDHN CN(CCC(=O)c1ccccc1)Cc1ccccc1CC#N ZINC001235522512 819115097 /nfs/dbraw/zinc/11/50/97/819115097.db2.gz GYCNWQIGUVVDEQ-UHFFFAOYSA-N 0 3 292.382 3.457 20 30 CGEDHN N#Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)nn1 ZINC001236232498 819392933 /nfs/dbraw/zinc/39/29/33/819392933.db2.gz IVSOYBHTSXNMEI-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN Cn1cc(CN2CCC[C@@H]3C[C@@H]32)c2cc(C#N)ccc21 ZINC001237473346 819758754 /nfs/dbraw/zinc/75/87/54/819758754.db2.gz YBPYCYMSMBOWIU-DYVFJYSZSA-N 0 3 265.360 3.034 20 30 CGEDHN C[C@H]1CC[C@H](N(C)Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237607920 819786005 /nfs/dbraw/zinc/78/60/05/819786005.db2.gz CQCUVPSGGXFVGN-SAZUREKKSA-N 0 3 282.391 3.216 20 30 CGEDHN C[C@@]1(CO)CCCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238188617 819950603 /nfs/dbraw/zinc/95/06/03/819950603.db2.gz GLIFBNWUEYFVCQ-MRXNPFEDSA-N 0 3 292.810 3.196 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@@]1(C)O ZINC001238189856 819951399 /nfs/dbraw/zinc/95/13/99/819951399.db2.gz YCEMTXQSBMLIBH-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN CCCCCCCCOC(=O)NC[C@H]1CCNC[C@H]1F ZINC001239320705 820267543 /nfs/dbraw/zinc/26/75/43/820267543.db2.gz WNZOLLYWAGZXGE-ZIAGYGMSSA-N 0 3 288.407 3.021 20 30 CGEDHN N#Cc1cc(-c2ccc(C[NH+]3CCC3)cc2)ccc1[O-] ZINC001242565585 823036254 /nfs/dbraw/zinc/03/62/54/823036254.db2.gz LHLANEZYJFGINS-UHFFFAOYSA-N 0 3 264.328 3.137 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ccccc1C)C1CC1 ZINC001339933887 936391979 /nfs/dbraw/zinc/39/19/79/936391979.db2.gz GMEHVIPMUUOSBQ-IRXDYDNUSA-N 0 3 286.419 3.246 20 30 CGEDHN C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@H](N)CCCC#N)c21 ZINC001341004934 936424077 /nfs/dbraw/zinc/42/40/77/936424077.db2.gz MAUCWSYSVKQXSV-GXTWGEPZSA-N 0 3 299.418 3.431 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1NC1CCC1 ZINC001341306472 936434085 /nfs/dbraw/zinc/43/40/85/936434085.db2.gz SERDDEODDZXSNF-CQSZACIVSA-N 0 3 287.407 3.273 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1CCc2ccccc21 ZINC001344874701 936547533 /nfs/dbraw/zinc/54/75/33/936547533.db2.gz FICKQCZPJXIONB-HOCLYGCPSA-N 0 3 293.370 3.199 20 30 CGEDHN CC1(C(=O)C(C#N)c2ncc(F)cc2F)CCCC1 ZINC001344983692 936796093 /nfs/dbraw/zinc/79/60/93/936796093.db2.gz LMPDEUJCQRYBNB-SNVBAGLBSA-N 0 3 264.275 3.116 20 30 CGEDHN N#CC(C(=O)C1CC=CC1)c1nc2c(cccc2Cl)[nH]1 ZINC001346149755 936839772 /nfs/dbraw/zinc/83/97/72/936839772.db2.gz BCDSAVXJGHQLAQ-JTQLQIEISA-N 0 3 285.734 3.359 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1ncc(F)cc1F)C(C)(C)C ZINC001347993890 936905893 /nfs/dbraw/zinc/90/58/93/936905893.db2.gz PROJWOXEVDYXGR-PSASIEDQSA-N 0 3 266.291 3.218 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001349701461 936958531 /nfs/dbraw/zinc/95/85/31/936958531.db2.gz GEGVKNIGYSQMOZ-XJFOESAGSA-N 0 3 273.380 3.152 20 30 CGEDHN CC(C)C1(C)CCN(Cc2cncc(C#N)c2)CC1 ZINC001351333260 937014954 /nfs/dbraw/zinc/01/49/54/937014954.db2.gz YIHMARKKHIXSDE-UHFFFAOYSA-N 0 3 257.381 3.211 20 30 CGEDHN N#Cc1cc(F)cc(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000227418368 926846021 /nfs/dbraw/zinc/84/60/21/926846021.db2.gz JVPZQTUAGLUWJV-GDBMZVCRSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1cc2cscc2s1 ZINC001480989658 926853630 /nfs/dbraw/zinc/85/36/30/926853630.db2.gz MGEDFZDHXTVCNZ-UHFFFAOYSA-N 0 3 294.445 3.201 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001481446543 926986172 /nfs/dbraw/zinc/98/61/72/926986172.db2.gz IBXQIWIFBBTXOD-YRPJOXRESA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC1(c2ccccc2Cl)CC1 ZINC001357668194 937177107 /nfs/dbraw/zinc/17/71/07/937177107.db2.gz MILKIOWZFDPCOZ-AWEZNQCLSA-N 0 3 292.810 3.129 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(CCC)CCC1 ZINC001485065585 927794494 /nfs/dbraw/zinc/79/44/94/927794494.db2.gz MMUKGNOPFRGPMA-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN CC1(C)CCC[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001527021103 927953625 /nfs/dbraw/zinc/95/36/25/927953625.db2.gz YJDSYPQCTGMOKO-QWRGUYRKSA-N 0 3 278.302 3.362 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001486521577 928032168 /nfs/dbraw/zinc/03/21/68/928032168.db2.gz FUUYVFVJYRGALT-KRWDZBQOSA-N 0 3 292.467 3.383 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)C[C@H](C)CC)c(F)c1 ZINC001486523489 928032614 /nfs/dbraw/zinc/03/26/14/928032614.db2.gz XASLRYHMADJHSG-CYBMUJFWSA-N 0 3 292.398 3.154 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(C[C@H](F)CC)CC(C)(C)C1 ZINC001489343661 928327676 /nfs/dbraw/zinc/32/76/76/928327676.db2.gz IPOLYQLKEFILEU-CABCVRRESA-N 0 3 298.446 3.308 20 30 CGEDHN C=C1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)NCCF)CC1 ZINC001490306707 928345159 /nfs/dbraw/zinc/34/51/59/928345159.db2.gz OZGIGDZCJPWTLB-ZBFHGGJFSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001490547823 928368371 /nfs/dbraw/zinc/36/83/71/928368371.db2.gz HEJQKSYRFSBXHT-RDJZCZTQSA-N 0 3 286.419 3.294 20 30 CGEDHN C=CCN(C)CCOc1cc(Cl)cc(Cl)c1 ZINC001459982207 937509807 /nfs/dbraw/zinc/50/98/07/937509807.db2.gz DSWREJAHOIRUNT-UHFFFAOYSA-N 0 3 260.164 3.490 20 30 CGEDHN CC#CCN1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001460645886 937538139 /nfs/dbraw/zinc/53/81/39/937538139.db2.gz NRZZLDXGFVFSRQ-MRXNPFEDSA-N 0 3 263.331 3.385 20 30 CGEDHN CCCCCCCN1CCOC[C@@H]1C[C@H]1CCOC1 ZINC001460859020 937549601 /nfs/dbraw/zinc/54/96/01/937549601.db2.gz NPVZEMJAEPCJNP-CVEARBPZSA-N 0 3 269.429 3.084 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC001140136403 931957244 /nfs/dbraw/zinc/95/72/44/931957244.db2.gz YWXPUSIGYDZCKM-ZIAGYGMSSA-N 0 3 258.340 3.319 20 30 CGEDHN CN1CCc2ccc(Nc3cccc(C#N)c3F)cc2C1 ZINC001216418406 932020763 /nfs/dbraw/zinc/02/07/63/932020763.db2.gz YNENDNJPNGMSTQ-UHFFFAOYSA-N 0 3 281.334 3.429 20 30 CGEDHN C=CCCCCNCc1c(OC)cc(F)cc1OC ZINC001461455539 937582564 /nfs/dbraw/zinc/58/25/64/937582564.db2.gz DDXVIFGHBWUJRH-UHFFFAOYSA-N 0 3 267.344 3.289 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(C(=O)OC)c(C)c2)cc1 ZINC001461514969 937584259 /nfs/dbraw/zinc/58/42/59/937584259.db2.gz TWGJTRIHWOIMQC-UHFFFAOYSA-N 0 3 293.366 3.053 20 30 CGEDHN C#CCOc1ccccc1CNC[C@H]1CCCC(C)(C)O1 ZINC001461792538 937597870 /nfs/dbraw/zinc/59/78/70/937597870.db2.gz FSIHNVIJJFNGMJ-MRXNPFEDSA-N 0 3 287.403 3.136 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001230646519 932603160 /nfs/dbraw/zinc/60/31/60/932603160.db2.gz QGKOXLZPHTYPMY-KBPBESRZSA-N 0 3 292.448 3.249 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001316610113 932749135 /nfs/dbraw/zinc/74/91/35/932749135.db2.gz QHEOYMGCKLWUFA-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC001333986779 932763519 /nfs/dbraw/zinc/76/35/19/932763519.db2.gz FEKRALPPTXJFOT-LIRRHRJNSA-N 0 3 277.433 3.212 20 30 CGEDHN C=C1CC(C)(C(=O)NCCN(C)[C@@H](C)c2ccccc2)C1 ZINC001492407121 932817776 /nfs/dbraw/zinc/81/77/76/932817776.db2.gz REMHTZCEDRGUGF-HNNXBMFYSA-N 0 3 286.419 3.152 20 30 CGEDHN C=CC[C@H]1CCN(Cc2c(OC)cc(F)cc2OC)C1 ZINC001462461034 937643255 /nfs/dbraw/zinc/64/32/55/937643255.db2.gz MDTUDJCLHALUNI-LBPRGKRZSA-N 0 3 279.355 3.241 20 30 CGEDHN C=C(C)CCN1CCN(Cc2ccc(CC)s2)CC1 ZINC001307484746 932959727 /nfs/dbraw/zinc/95/97/27/932959727.db2.gz QAOZERCOUKHJDZ-UHFFFAOYSA-N 0 3 278.465 3.394 20 30 CGEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C1 ZINC001307915893 933019903 /nfs/dbraw/zinc/01/99/03/933019903.db2.gz ZEOQORXKRUTDIP-BRWVUGGUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC(C)(C)CCCNCc1ccc(C(=O)OC)o1 ZINC001308927772 933205714 /nfs/dbraw/zinc/20/57/14/933205714.db2.gz KXZDEBDHJJVBSV-UHFFFAOYSA-N 0 3 265.353 3.148 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001318345497 933712107 /nfs/dbraw/zinc/71/21/07/933712107.db2.gz VBJZDRWPKKWJRQ-HZPDHXFCSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCCCC(C)C)C1 ZINC001318437486 933726107 /nfs/dbraw/zinc/72/61/07/933726107.db2.gz QRZOUSCWHWJPPC-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)CCC)CCCC1 ZINC001319343196 933860289 /nfs/dbraw/zinc/86/02/89/933860289.db2.gz ZHPRKOHWYNATQR-LBPRGKRZSA-N 0 3 286.847 3.194 20 30 CGEDHN C#CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)CC1CC1 ZINC001319462713 933881465 /nfs/dbraw/zinc/88/14/65/933881465.db2.gz VOWGEFGSIMNIRY-UHFFFAOYSA-N 0 3 295.382 3.399 20 30 CGEDHN C#CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)CC1CC1 ZINC001319462713 933881469 /nfs/dbraw/zinc/88/14/69/933881469.db2.gz VOWGEFGSIMNIRY-UHFFFAOYSA-N 0 3 295.382 3.399 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1CCCCC1)C(C)C ZINC001319896041 933954030 /nfs/dbraw/zinc/95/40/30/933954030.db2.gz LMCGQHLOMFGPRL-AWEZNQCLSA-N 0 3 286.847 3.050 20 30 CGEDHN COCC#CCN[C@H](c1cccc(F)c1)C(C)(C)C ZINC001320060968 933989667 /nfs/dbraw/zinc/98/96/67/933989667.db2.gz XIKBDGKDGBSMFB-OAHLLOKOSA-N 0 3 263.356 3.152 20 30 CGEDHN COCC#CCN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC001320060967 933990129 /nfs/dbraw/zinc/99/01/29/933990129.db2.gz XIKBDGKDGBSMFB-HNNXBMFYSA-N 0 3 263.356 3.152 20 30 CGEDHN CCN(CC)[C@@H](CNc1cccc(CC#N)n1)c1ccco1 ZINC001320359964 934037579 /nfs/dbraw/zinc/03/75/79/934037579.db2.gz ZJEDONDQVWVPJH-HNNXBMFYSA-N 0 3 298.390 3.236 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001323227993 934374367 /nfs/dbraw/zinc/37/43/67/934374367.db2.gz VEEXLQIYJMLEEA-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCO[C@@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001323731023 934421943 /nfs/dbraw/zinc/42/19/43/934421943.db2.gz WCVHOEXLVRSVCS-GDBMZVCRSA-N 0 3 261.340 3.090 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cc3cc(F)ccc3o2)C1 ZINC001323786159 934426240 /nfs/dbraw/zinc/42/62/40/934426240.db2.gz RUPGFMAYTTYYAN-CQSZACIVSA-N 0 3 275.323 3.349 20 30 CGEDHN CC[C@H](C)N[C@H](CNc1cc(C)c(C#N)cn1)c1ccco1 ZINC001472778767 937783634 /nfs/dbraw/zinc/78/36/34/937783634.db2.gz OJKQOOFWQUKCAU-DZGCQCFKSA-N 0 3 298.390 3.396 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccsc2C)C1 ZINC001324937351 934874820 /nfs/dbraw/zinc/87/48/20/934874820.db2.gz VLPKLNLYYWSYDP-MRXNPFEDSA-N 0 3 292.448 3.074 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)C(CCC)CCC)CC1 ZINC001327149369 935036992 /nfs/dbraw/zinc/03/69/92/935036992.db2.gz ZHCJIXGAFVYJAG-KRWDZBQOSA-N 0 3 292.467 3.197 20 30 CGEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CCC(O)CC1 ZINC001327545418 935068727 /nfs/dbraw/zinc/06/87/27/935068727.db2.gz FCTFSILHPPPIAG-FYOYPEGLSA-N 0 3 298.430 3.309 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1CCC2(CC2)CC1 ZINC001328376746 935133282 /nfs/dbraw/zinc/13/32/82/935133282.db2.gz AYRREISHYPEEJF-ZDUSSCGKSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](NC/C=C/Cl)C(C)(C)C1 ZINC001332414510 935467589 /nfs/dbraw/zinc/46/75/89/935467589.db2.gz ZLWJPGIOERYHMG-GODNBWANSA-N 0 3 298.858 3.168 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)C(C)C ZINC001332711915 935484422 /nfs/dbraw/zinc/48/44/22/935484422.db2.gz YBCDVAPNJQEARW-GVDBMIGSSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001333749305 936063363 /nfs/dbraw/zinc/06/33/63/936063363.db2.gz HOLJAHHRQACEGW-CQDKDKBSSA-N 0 3 292.810 3.066 20 30 CGEDHN C=C(C)CCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001336307461 936187423 /nfs/dbraw/zinc/18/74/23/936187423.db2.gz MAMTZZVWHFTYRJ-UHFFFAOYSA-N 0 3 292.398 3.072 20 30 CGEDHN C#C[C@H]1CCCCN1Cc1c(C)cc(C#N)cc1C ZINC001473868852 937825947 /nfs/dbraw/zinc/82/59/47/937825947.db2.gz XNQAQVLYWVNXIL-INIZCTEOSA-N 0 3 252.361 3.163 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C=C(C)C ZINC001479510398 937921882 /nfs/dbraw/zinc/92/18/82/937921882.db2.gz FGWOKCGMYVBUTN-DZGCQCFKSA-N 0 3 298.858 3.312 20 30 CGEDHN C#CCCCC(=O)N1CCCC[C@H]1CN(C)CC=C(C)C ZINC001479735146 937924979 /nfs/dbraw/zinc/92/49/79/937924979.db2.gz YBUYDTFCHSFCMC-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001480325184 937936536 /nfs/dbraw/zinc/93/65/36/937936536.db2.gz RBNFWSWLZXSNHF-INIZCTEOSA-N 0 3 278.440 3.280 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)c1ccoc1C)c1ccccc1 ZINC001493880171 937951840 /nfs/dbraw/zinc/95/18/40/937951840.db2.gz IIGHVSDVGBKHKA-QGZVFWFLSA-N 0 3 298.386 3.225 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(CCC)CCC ZINC001494667796 937955803 /nfs/dbraw/zinc/95/58/03/937955803.db2.gz STRGEZAQVFYEIX-HOTGVXAUSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1=CCCCCC1)C(C)C ZINC001496544793 937962943 /nfs/dbraw/zinc/96/29/43/937962943.db2.gz FJRVRTQIDIBPDF-HNNXBMFYSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001499073174 937972410 /nfs/dbraw/zinc/97/24/10/937972410.db2.gz VJQTVGKUWQSHTG-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCCC ZINC001505799183 937987224 /nfs/dbraw/zinc/98/72/24/937987224.db2.gz ZEKKXMDGIUUXBO-UHFFFAOYSA-N 0 3 274.836 3.003 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](C)C(C)C)C(C)C ZINC001507841690 937997061 /nfs/dbraw/zinc/99/70/61/937997061.db2.gz OREFXDKJDMGPJV-HNNXBMFYSA-N 0 3 268.445 3.023 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1cc2ccccc2[nH]1)C(C)C ZINC001507863590 937997249 /nfs/dbraw/zinc/99/72/49/937997249.db2.gz XABBKVHVIDWYEM-UHFFFAOYSA-N 0 3 299.418 3.136 20 30 CGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C[C@H](C)CCC)CC1 ZINC001508056076 937997990 /nfs/dbraw/zinc/99/79/90/937997990.db2.gz HLWVQLCXDRFPOV-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1ncc(F)cc1F)C1CCCC1 ZINC001520455898 938025821 /nfs/dbraw/zinc/02/58/21/938025821.db2.gz OGPXBDRUWVJOKA-SKDRFNHKSA-N 0 3 278.302 3.362 20 30 CGEDHN N#CC(C(=O)CCc1ccccc1)c1cccc(F)n1 ZINC001524695933 938044691 /nfs/dbraw/zinc/04/46/91/938044691.db2.gz MKBSBSQGKXBZMT-CYBMUJFWSA-N 0 3 268.291 3.030 20 30 CGEDHN C[C@H]1CC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001527018830 938059809 /nfs/dbraw/zinc/05/98/09/938059809.db2.gz FCGOEYIRKJTZTQ-CKYFFXLPSA-N 0 3 278.302 3.362 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2C)CCCCC1 ZINC001537278994 938109046 /nfs/dbraw/zinc/10/90/46/938109046.db2.gz SHOKBDYFGDHOJD-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001539485806 938124890 /nfs/dbraw/zinc/12/48/90/938124890.db2.gz STWGUUNDNDLEKI-INIZCTEOSA-N 0 3 284.419 3.014 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001543639892 938140784 /nfs/dbraw/zinc/14/07/84/938140784.db2.gz DJLXCXVLUKOUMF-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCC1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001557474953 938210195 /nfs/dbraw/zinc/21/01/95/938210195.db2.gz JEMSIVOGNNKSOA-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCCCCN1C[C@H](COC)O[C@@H](C)C1 ZINC001559762775 938234786 /nfs/dbraw/zinc/23/47/86/938234786.db2.gz UEBSUXFFVUWRSI-JKSUJKDBSA-N 0 3 271.445 3.473 20 30 CGEDHN C=C(CC)CN1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001560140224 938244739 /nfs/dbraw/zinc/24/47/39/938244739.db2.gz OWMHIHIYHHJRDA-ZDUSSCGKSA-N 0 3 282.428 3.188 20 30 CGEDHN C=CCCC[C@H](C)NCc1nc2c(s1)CCC2 ZINC001560414627 938257675 /nfs/dbraw/zinc/25/76/75/938257675.db2.gz FBMFHGUCDVCNFI-NSHDSACASA-N 0 3 250.411 3.466 20 30 CGEDHN C=CCC[C@@H](CO)NCc1c(Cl)cccc1CC ZINC001560470897 938259488 /nfs/dbraw/zinc/25/94/88/938259488.db2.gz AINXWDKYBITAEO-ZDUSSCGKSA-N 0 3 267.800 3.319 20 30 CGEDHN N#Cc1ccc(CCNCc2ccc(Cl)o2)cc1 ZINC001560532017 938261746 /nfs/dbraw/zinc/26/17/46/938261746.db2.gz RYQQSUVRPXCKOK-UHFFFAOYSA-N 0 3 260.724 3.137 20 30 CGEDHN CCCCCC(CCCCC)[NH2+][C@@H]1CCCN([O-])C1=O ZINC001560912448 938283520 /nfs/dbraw/zinc/28/35/20/938283520.db2.gz HEHSVFSZMUYFFH-OAHLLOKOSA-N 0 3 284.444 3.485 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC001574851414 960465188 /nfs/dbraw/zinc/46/51/88/960465188.db2.gz FFNGQUSDBNNUOD-CABCVRRESA-N 0 3 298.858 3.322 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001596319171 960537138 /nfs/dbraw/zinc/53/71/38/960537138.db2.gz HBTZIKNNQNTIKW-QGZVFWFLSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCCCN1CCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001566619957 960969293 /nfs/dbraw/zinc/96/92/93/960969293.db2.gz CCTBGXKNFNQRLU-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN C#CCN1CCC[C@H](CNC(=O)C[C@H](C)CCCCC)C1 ZINC001566878150 961033111 /nfs/dbraw/zinc/03/31/11/961033111.db2.gz MYCTXGLYSXPFST-IAGOWNOFSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN(CC)CCNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001567340256 961286751 /nfs/dbraw/zinc/28/67/51/961286751.db2.gz LUJIMDJNNOLJSD-UHFFFAOYSA-N 0 3 294.483 3.463 20 30 CGEDHN C=CCN(CCNC(=O)c1cccc(Cl)c1C)C1CC1 ZINC001567443177 961342095 /nfs/dbraw/zinc/34/20/95/961342095.db2.gz QRBKCXBVMKGXCN-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCN[C@@H](CNC(=O)/C=C/C(C)(C)C)c1ccccc1 ZINC001567656721 961384827 /nfs/dbraw/zinc/38/48/27/961384827.db2.gz SJIAZAPBKZUBDL-PCUGXKRQSA-N 0 3 286.419 3.222 20 30 CGEDHN C#CCCN[C@H](CNC(=O)C1(CCC)CC1)c1ccccc1 ZINC001567664522 961390317 /nfs/dbraw/zinc/39/03/17/961390317.db2.gz ZUNQOJJYTLTELA-QGZVFWFLSA-N 0 3 298.430 3.037 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001569724504 961841435 /nfs/dbraw/zinc/84/14/35/961841435.db2.gz YHLDYUBRSHRKHT-GOSISDBHSA-N 0 3 294.483 3.463 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001569978195 961867418 /nfs/dbraw/zinc/86/74/18/961867418.db2.gz XTLKITBFMXBVMA-TZMCWYRMSA-N 0 3 286.847 3.003 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)C2CCC2)cc1 ZINC001570031268 961887934 /nfs/dbraw/zinc/88/79/34/961887934.db2.gz KPXDCUNIJSWMQR-LSDHHAIUSA-N 0 3 298.430 3.023 20 30 CGEDHN C#CCCN(C)CCN(C(=O)c1ccc(C=C)cc1)C(C)C ZINC001571614886 962185561 /nfs/dbraw/zinc/18/55/61/962185561.db2.gz XEEANUPQGDGGOP-UHFFFAOYSA-N 0 3 298.430 3.135 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C2CCC2)cc1 ZINC001574857609 962320388 /nfs/dbraw/zinc/32/03/88/962320388.db2.gz XCBJFRVDMJEMFB-OAHLLOKOSA-N 0 3 292.810 3.040 20 30 CGEDHN C=CC1(CC(=O)N2C[C@@H](CC)N[C@@H](C)C2)CCCCC1 ZINC001585666834 963034250 /nfs/dbraw/zinc/03/42/50/963034250.db2.gz VRDVKOVXYXTCQE-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C)nc1C ZINC000651452884 398246851 /nfs/dbraw/zinc/24/68/51/398246851.db2.gz YBQOBJQRTHODIC-IMJJTQAJSA-N 0 3 260.381 3.083 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C)nc1C ZINC000651452883 398246994 /nfs/dbraw/zinc/24/69/94/398246994.db2.gz YBQOBJQRTHODIC-BMFZPTHFSA-N 0 3 260.381 3.083 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H](c3ccccc3)C2)ccn1 ZINC000590118860 346828696 /nfs/dbraw/zinc/82/86/96/346828696.db2.gz RBKRYNUPEJLSJK-KRWDZBQOSA-N 0 3 277.371 3.333 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](CC2CC2)C1 ZINC000590202718 346836346 /nfs/dbraw/zinc/83/63/46/346836346.db2.gz MJIHNCVSHPNJPM-CZUORRHYSA-N 0 3 297.402 3.007 20 30 CGEDHN CC1(C#N)CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000590645804 346858704 /nfs/dbraw/zinc/85/87/04/346858704.db2.gz RHGANQWLEGGWLM-UHFFFAOYSA-N 0 3 271.339 3.259 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651747777 398280637 /nfs/dbraw/zinc/28/06/37/398280637.db2.gz PSIIYEXUWOJWMM-GXFFZTMASA-N 0 3 283.774 3.241 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccncc2)c1 ZINC000125435653 187184492 /nfs/dbraw/zinc/18/44/92/187184492.db2.gz XRRGMKFSGGIZCS-GOSISDBHSA-N 0 3 293.370 3.169 20 30 CGEDHN N#Cc1ccc(CNC2CCC(OC(F)F)CC2)c(F)c1 ZINC000590662510 346861849 /nfs/dbraw/zinc/86/18/49/346861849.db2.gz YYBAJWCAGCTPRN-UHFFFAOYSA-N 0 3 298.308 3.337 20 30 CGEDHN C=CC[C@H]1CC[C@@H](N[C@@H](C)C(=O)Nc2cccnc2C)C1 ZINC000651827434 398294552 /nfs/dbraw/zinc/29/45/52/398294552.db2.gz DDYQBRSEJHGBQI-SOUVJXGZSA-N 0 3 287.407 3.051 20 30 CGEDHN CC[C@H](C)N1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000590726025 346869083 /nfs/dbraw/zinc/86/90/83/346869083.db2.gz OECXYYPPKLIKRF-AWEZNQCLSA-N 0 3 294.402 3.027 20 30 CGEDHN C=CCOc1ccc(CN2CCC([C@H](C)CO)CC2)cc1 ZINC000651956268 398312276 /nfs/dbraw/zinc/31/22/76/398312276.db2.gz RRFRWRNFOUPSJI-OAHLLOKOSA-N 0 3 289.419 3.092 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C2CCC2)C1 ZINC000591062256 346898280 /nfs/dbraw/zinc/89/82/80/346898280.db2.gz ZRXWONHXSRGBDD-CZUORRHYSA-N 0 3 297.402 3.007 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCc2cccc(Cl)c2C1 ZINC000591260740 346913067 /nfs/dbraw/zinc/91/30/67/346913067.db2.gz TVXWXGKZLMVLQF-STQMWFEESA-N 0 3 262.784 3.479 20 30 CGEDHN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000591348833 346916872 /nfs/dbraw/zinc/91/68/72/346916872.db2.gz HLZVNBXTHNWQJC-DIFFPNOSSA-N 0 3 280.375 3.318 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(OC2CCC2)CC1 ZINC000591376809 346918300 /nfs/dbraw/zinc/91/83/00/346918300.db2.gz OYIYIJDAMZHJFX-UHFFFAOYSA-N 0 3 284.403 3.400 20 30 CGEDHN C=CCC[C@@H](CCC)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623233137 349769273 /nfs/dbraw/zinc/76/92/73/349769273.db2.gz OFXJSIIHUOEKPH-NVXWUHKLSA-N 0 3 286.419 3.424 20 30 CGEDHN CCS[C@@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000592108076 346963164 /nfs/dbraw/zinc/96/31/64/346963164.db2.gz SLIMHAVHOZSHOF-HUUCEWRRSA-N 0 3 275.421 3.107 20 30 CGEDHN Cc1ccc(C[C@@H]2CCCN2Cc2ccncc2C#N)cc1 ZINC000592070860 346960658 /nfs/dbraw/zinc/96/06/58/346960658.db2.gz RQFJLVLXWRLKOO-IBGZPJMESA-N 0 3 291.398 3.469 20 30 CGEDHN N#Cc1cc(CN2CCCC[C@@H]2C2CCC2)ccn1 ZINC000592199429 346971306 /nfs/dbraw/zinc/97/13/06/346971306.db2.gz PEZZUUYWQIUHHG-MRXNPFEDSA-N 0 3 255.365 3.108 20 30 CGEDHN Cc1ccc(-c2nn(C)cc2CNCC(C)(C)CC#N)o1 ZINC000592368444 346979652 /nfs/dbraw/zinc/97/96/52/346979652.db2.gz NUJNHMKWIVGFRN-UHFFFAOYSA-N 0 3 286.379 3.018 20 30 CGEDHN CC1(C#N)CCC(N[C@@H](CCO)c2ccccc2F)CC1 ZINC000592404353 346985334 /nfs/dbraw/zinc/98/53/34/346985334.db2.gz XTSOYQAPZMGILJ-PWZRNIHTSA-N 0 3 290.382 3.311 20 30 CGEDHN CCN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCCOC1 ZINC000593071030 347036021 /nfs/dbraw/zinc/03/60/21/347036021.db2.gz ZKVUJFQCKPHDGK-INIZCTEOSA-N 0 3 286.419 3.489 20 30 CGEDHN COc1ccc(C[C@@H]2CCCCN2CCCC#N)cc1 ZINC000593084831 347037719 /nfs/dbraw/zinc/03/77/19/347037719.db2.gz SJYMOHHCHJHOPE-INIZCTEOSA-N 0 3 272.392 3.396 20 30 CGEDHN C[C@@H]1CN(CC2(C#N)CC2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000593048850 347031990 /nfs/dbraw/zinc/03/19/90/347031990.db2.gz KDBXFLXBYNYQBN-BRWVUGGUSA-N 0 3 297.446 3.273 20 30 CGEDHN C=C(C)CN1CCC(N[C@H]2CCCc3scnc32)CC1 ZINC000623889497 349906247 /nfs/dbraw/zinc/90/62/47/349906247.db2.gz OKJBXVAPJDVPIX-AWEZNQCLSA-N 0 3 291.464 3.151 20 30 CGEDHN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccsc1 ZINC000035206425 344942064 /nfs/dbraw/zinc/94/20/64/344942064.db2.gz BVKQGCCIIJGEQR-UHFFFAOYSA-N 0 3 299.399 3.080 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000050026174 345077092 /nfs/dbraw/zinc/07/70/92/345077092.db2.gz CSWVBHVATVEQSV-UHFFFAOYSA-N 0 3 284.403 3.094 20 30 CGEDHN CCCN(CCOC(C)C)Cc1ccc(C#N)cc1 ZINC000047739870 345055356 /nfs/dbraw/zinc/05/53/56/345055356.db2.gz ZPBHJAYZKZSDFS-UHFFFAOYSA-N 0 3 260.381 3.195 20 30 CGEDHN CN(CCOc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000048056771 345059724 /nfs/dbraw/zinc/05/97/24/345059724.db2.gz KTYAKSVMFNKZKB-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN CN(CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000052710832 345107097 /nfs/dbraw/zinc/10/70/97/345107097.db2.gz DOTVOLRLEGMHSX-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN N#CC1CCN(CCCOc2ccc(Cl)cc2)CC1 ZINC000057906591 345191003 /nfs/dbraw/zinc/19/10/03/345191003.db2.gz PNXRBJTWTNCSQE-UHFFFAOYSA-N 0 3 278.783 3.344 20 30 CGEDHN N#Cc1ccccc1CN1CCN(CC2CCCCC2)CC1 ZINC000060569196 345219756 /nfs/dbraw/zinc/21/97/56/345219756.db2.gz IFKSICWJPKGLRF-UHFFFAOYSA-N 0 3 297.446 3.256 20 30 CGEDHN C=CCN(CCc1ccccc1)CCn1nc(C)cc1C ZINC000068815703 345365115 /nfs/dbraw/zinc/36/51/15/345365115.db2.gz SYAIIUZIICWIRZ-UHFFFAOYSA-N 0 3 283.419 3.231 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3[nH]ccc32)cc1 ZINC000070938921 345399081 /nfs/dbraw/zinc/39/90/81/345399081.db2.gz IVUCZASYWVXYCA-UHFFFAOYSA-N 0 3 261.328 3.329 20 30 CGEDHN C[C@H](NC[C@H](O)CCc1ccccc1)c1cccc(C#N)c1 ZINC000273252389 192089019 /nfs/dbraw/zinc/08/90/19/192089019.db2.gz LBUFLOOXXZAKAT-HNAYVOBHSA-N 0 3 294.398 3.203 20 30 CGEDHN N#Cc1ccc(OCCNC2(c3ccccc3)CC2)cc1 ZINC000077378532 345570773 /nfs/dbraw/zinc/57/07/73/345570773.db2.gz DIPGTNHNWUBIDI-UHFFFAOYSA-N 0 3 278.355 3.216 20 30 CGEDHN CC(C)[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075648312 345517333 /nfs/dbraw/zinc/51/73/33/345517333.db2.gz KTUKJZMGLYRVNP-HNNXBMFYSA-N 0 3 296.374 3.229 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(Cc2csc(C)n2)CC1 ZINC000091530886 345817822 /nfs/dbraw/zinc/81/78/22/345817822.db2.gz CTOBTRLAVGOKLB-AWEZNQCLSA-N 0 3 293.480 3.314 20 30 CGEDHN COC1CCC(N(C)Cc2cc(C#N)cs2)CC1 ZINC000093415159 345878748 /nfs/dbraw/zinc/87/87/48/345878748.db2.gz FGMQCRFGBISWOD-UHFFFAOYSA-N 0 3 264.394 3.009 20 30 CGEDHN C=CCCCCCN(C)C(=O)C1CCN(C2CC2)CC1 ZINC000192589519 346268153 /nfs/dbraw/zinc/26/81/53/346268153.db2.gz RKATYKWMVAPUPQ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OCC(=C)Cl)cc1 ZINC000289675475 346423858 /nfs/dbraw/zinc/42/38/58/346423858.db2.gz HMMGZASUAIWUOV-JSGCOSHPSA-N 0 3 281.783 3.015 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc3c2CCC3)CC1 ZINC000593613119 347094887 /nfs/dbraw/zinc/09/48/87/347094887.db2.gz HVRIEEPZTOFDBJ-UHFFFAOYSA-N 0 3 254.377 3.301 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)o2)CCc2ccccc21 ZINC000593678205 347102588 /nfs/dbraw/zinc/10/25/88/347102588.db2.gz BFPLDOMGGVTHHK-CYBMUJFWSA-N 0 3 266.344 3.313 20 30 CGEDHN N#CC[C@@H]1CCCN(CCCOc2ccccc2)C1 ZINC000397823603 346585351 /nfs/dbraw/zinc/58/53/51/346585351.db2.gz LNHTWBIRHBFTJY-HNNXBMFYSA-N 0 3 258.365 3.081 20 30 CGEDHN N#CC1(F)CCN(CC2CCC(F)(F)CC2)CC1 ZINC000459462812 346624157 /nfs/dbraw/zinc/62/41/57/346624157.db2.gz LNNHIUBXJSTOEE-UHFFFAOYSA-N 0 3 260.303 3.140 20 30 CGEDHN COc1cc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)ccn1 ZINC000585726474 346727768 /nfs/dbraw/zinc/72/77/68/346727768.db2.gz CHFJLDBJJGSFQJ-SJCJKPOMSA-N 0 3 293.370 3.300 20 30 CGEDHN C[C@@]1(C#N)CCCN(CC2Cc3ccccc3C2)C1 ZINC000589511578 346799031 /nfs/dbraw/zinc/79/90/31/346799031.db2.gz VZFFXRFRWJILGN-KRWDZBQOSA-N 0 3 254.377 3.027 20 30 CGEDHN C[C@@H](NCc1ccncc1C#N)C1CCC(F)(F)CC1 ZINC000594040192 347142511 /nfs/dbraw/zinc/14/25/11/347142511.db2.gz FFEUESUGOUANLL-LLVKDONJSA-N 0 3 279.334 3.257 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1CCCCO1 ZINC000594041052 347142603 /nfs/dbraw/zinc/14/26/03/347142603.db2.gz JDGNKKPZPRYMGV-HZPDHXFCSA-N 0 3 276.355 3.135 20 30 CGEDHN CC[C@H](NCc1ccc(F)c(C#N)c1)[C@H]1CCCCO1 ZINC000594045839 347143883 /nfs/dbraw/zinc/14/38/83/347143883.db2.gz ZVSVEOVZPWYGTR-JKSUJKDBSA-N 0 3 276.355 3.135 20 30 CGEDHN CN(Cc1ccc(C#N)cn1)C(C)(C)c1ccccc1 ZINC000593986138 347130421 /nfs/dbraw/zinc/13/04/21/347130421.db2.gz WHAUVPUINBGDNA-UHFFFAOYSA-N 0 3 265.360 3.320 20 30 CGEDHN Cc1cc(CNC[C@H]2CCC3(CCCC3)O2)ccc1C#N ZINC000594524284 347189836 /nfs/dbraw/zinc/18/98/36/347189836.db2.gz XUNUKEPUZRCPDG-QGZVFWFLSA-N 0 3 284.403 3.448 20 30 CGEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cc2ccccc2o1 ZINC000594427537 347173832 /nfs/dbraw/zinc/17/38/32/347173832.db2.gz VEFHYZJHSGVUHX-OCCSQVGLSA-N 0 3 299.374 3.021 20 30 CGEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1cc(C)cc(C)c1 ZINC000594427133 347174056 /nfs/dbraw/zinc/17/40/56/347174056.db2.gz HJSLLTXIMZIERC-INIZCTEOSA-N 0 3 287.407 3.068 20 30 CGEDHN CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594434814 347174471 /nfs/dbraw/zinc/17/44/71/347174471.db2.gz UEIZYCPPUBOKOS-JKSUJKDBSA-N 0 3 293.455 3.263 20 30 CGEDHN CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594434813 347174892 /nfs/dbraw/zinc/17/48/92/347174892.db2.gz UEIZYCPPUBOKOS-HZPDHXFCSA-N 0 3 293.455 3.263 20 30 CGEDHN CCC[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)OC ZINC000594516895 347186310 /nfs/dbraw/zinc/18/63/10/347186310.db2.gz HKWPPNWNYXPJKP-INIZCTEOSA-N 0 3 274.408 3.392 20 30 CGEDHN Cn1cccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594517479 347187574 /nfs/dbraw/zinc/18/75/74/347187574.db2.gz CTVWENURGSAJTI-UHFFFAOYSA-N 0 3 265.360 3.066 20 30 CGEDHN CC[C@H](NCc1cc(C#N)cs1)[C@H]1CCCCO1 ZINC000594519761 347188323 /nfs/dbraw/zinc/18/83/23/347188323.db2.gz LFCOXBICWUQWER-UONOGXRCSA-N 0 3 264.394 3.057 20 30 CGEDHN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1cccc(C#N)c1 ZINC000594723455 347213723 /nfs/dbraw/zinc/21/37/23/347213723.db2.gz BINIVKCBZVTFFS-DVOMOZLQSA-N 0 3 258.365 3.166 20 30 CGEDHN C[C@H]1c2ccccc2C[C@H]1NCc1ccccc1C#N ZINC000594970459 347245507 /nfs/dbraw/zinc/24/55/07/347245507.db2.gz GRVLHJCTTSTKTK-SCLBCKFNSA-N 0 3 262.356 3.376 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCCO[C@H]2CC2(F)F)cc1 ZINC000594971222 347246280 /nfs/dbraw/zinc/24/62/80/347246280.db2.gz BTJRLVPOAMMINZ-AWEZNQCLSA-N 0 3 294.345 3.002 20 30 CGEDHN N#Cc1csc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000594975622 347246885 /nfs/dbraw/zinc/24/68/85/347246885.db2.gz YCNMHLXHQNCAGL-HOTGVXAUSA-N 0 3 298.411 3.282 20 30 CGEDHN COC1(CNCC2(C#N)CCCCC2)CCCCC1 ZINC000594982130 347248837 /nfs/dbraw/zinc/24/88/37/347248837.db2.gz ZTGHQAFRSIPXRL-UHFFFAOYSA-N 0 3 264.413 3.399 20 30 CGEDHN CO[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC000595297021 347288046 /nfs/dbraw/zinc/28/80/46/347288046.db2.gz OXMWGQWHWLVZDM-GOSISDBHSA-N 0 3 284.403 3.338 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000595388458 347297880 /nfs/dbraw/zinc/29/78/80/347297880.db2.gz WBYXBJZSDVGISK-QXAKKESOSA-N 0 3 295.430 3.200 20 30 CGEDHN C=CCCSCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595058278 347273508 /nfs/dbraw/zinc/27/35/08/347273508.db2.gz GGAJPHITMPVPAT-AWEZNQCLSA-N 0 3 292.404 3.481 20 30 CGEDHN CC[C@@H](NCCO[C@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000595069634 347276621 /nfs/dbraw/zinc/27/66/21/347276621.db2.gz OQUQSJLOMWHQEG-KGLIPLIRSA-N 0 3 280.318 3.023 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000595603202 347324719 /nfs/dbraw/zinc/32/47/19/347324719.db2.gz KYRWUIQANKXMCA-CJNGLKHVSA-N 0 3 255.365 3.178 20 30 CGEDHN Cc1ccc2c(c1)CN(CCCC1(C#N)CCOCC1)CC2 ZINC000595656559 347334334 /nfs/dbraw/zinc/33/43/34/347334334.db2.gz BXKUEANETCAUSA-UHFFFAOYSA-N 0 3 298.430 3.454 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)OCC)cn2)C1 ZINC000595660151 347334348 /nfs/dbraw/zinc/33/43/48/347334348.db2.gz RGQAYGUBDOWKMX-CQSZACIVSA-N 0 3 288.391 3.046 20 30 CGEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000595679802 347336327 /nfs/dbraw/zinc/33/63/27/347336327.db2.gz YKWIRYKBGPMZOB-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1cccc(CN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595781719 347354881 /nfs/dbraw/zinc/35/48/81/347354881.db2.gz GEOOVBMPIWGEJD-SFHVURJKSA-N 0 3 284.403 3.339 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000595779074 347355015 /nfs/dbraw/zinc/35/50/15/347355015.db2.gz YSSOHOYHMRNYPR-HZPDHXFCSA-N 0 3 299.418 3.169 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779532 347355201 /nfs/dbraw/zinc/35/52/01/347355201.db2.gz BTTPAHMPLUWRJD-HZSPNIEDSA-N 0 3 258.365 3.119 20 30 CGEDHN N#Cc1ccc(CN2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000595785154 347356223 /nfs/dbraw/zinc/35/62/23/347356223.db2.gz VUUBBNXQOCHIMP-GOSISDBHSA-N 0 3 284.403 3.339 20 30 CGEDHN Cc1cnc([C@@H](C)NCCc2ccc(C#N)cc2)s1 ZINC000595439300 347303806 /nfs/dbraw/zinc/30/38/06/347303806.db2.gz WZHVPZYTBGRBQZ-GFCCVEGCSA-N 0 3 271.389 3.217 20 30 CGEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCc1ccc(C#N)cc1 ZINC000595467514 347307952 /nfs/dbraw/zinc/30/79/52/347307952.db2.gz HMWQNLSZNTYWHX-FZMZJTMJSA-N 0 3 282.309 3.373 20 30 CGEDHN C[C@@H]1COC2(CCCC2)CN1Cc1ccc(CC#N)cc1 ZINC000595806773 347357562 /nfs/dbraw/zinc/35/75/62/347357562.db2.gz GDMLMBBOYKTGAK-OAHLLOKOSA-N 0 3 284.403 3.286 20 30 CGEDHN N#Cc1ccc(CCN2CCC(OC3CCC3)CC2)cc1 ZINC000595546727 347318322 /nfs/dbraw/zinc/31/83/22/347318322.db2.gz MYENQORSNNWCJQ-UHFFFAOYSA-N 0 3 284.403 3.134 20 30 CGEDHN CC(C)CC1(N[C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000595835644 347363841 /nfs/dbraw/zinc/36/38/41/347363841.db2.gz VLCIUQNEHJRQRR-ZDUSSCGKSA-N 0 3 285.391 3.054 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn2ccccc2c1C#N ZINC000595841897 347365438 /nfs/dbraw/zinc/36/54/38/347365438.db2.gz PGQWDZSOHMZQQO-IYBDPMFKSA-N 0 3 277.371 3.494 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)OC)cc1F ZINC000595844172 347366541 /nfs/dbraw/zinc/36/65/41/347366541.db2.gz BLTCYVJNTSULDI-GASCZTMLSA-N 0 3 289.350 3.295 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OC)oc1C ZINC000595844915 347367497 /nfs/dbraw/zinc/36/74/97/347367497.db2.gz HNWHOUJOFNKTSW-OKILXGFUSA-N 0 3 275.348 3.058 20 30 CGEDHN CCN(CCOc1ccccc1OC)[C@H]1CC[C@H](C#N)C1 ZINC000595884551 347370201 /nfs/dbraw/zinc/37/02/01/347370201.db2.gz HVABWGMSQQNBOV-GJZGRUSLSA-N 0 3 288.391 3.088 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)C[C@H]1CC1(C)C ZINC000595911819 347371869 /nfs/dbraw/zinc/37/18/69/347371869.db2.gz ZBTKNQYAWBBDBF-CQSZACIVSA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@@H](Cc1ccc2c(c1)CCCC2)NCC1(C#N)CC1 ZINC000597120221 347537279 /nfs/dbraw/zinc/53/72/79/347537279.db2.gz CUGBIUBADUZQGP-AWEZNQCLSA-N 0 3 268.404 3.390 20 30 CGEDHN C[C@@]1(c2ccccc2)CC[C@H](N2CC(CC#N)C2)C1 ZINC000597204227 347554176 /nfs/dbraw/zinc/55/41/76/347554176.db2.gz UVYFTWORGUQURN-DLBZAZTESA-N 0 3 254.377 3.342 20 30 CGEDHN CCN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H](C)C#N ZINC000598351850 347647566 /nfs/dbraw/zinc/64/75/66/347647566.db2.gz YQEKUZQKYOVOTR-HNNXBMFYSA-N 0 3 299.418 3.047 20 30 CGEDHN CC1(C)C[C@@]1(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000598386560 347652528 /nfs/dbraw/zinc/65/25/28/347652528.db2.gz QLWIVXBUKNVFMF-WMLDXEAASA-N 0 3 270.376 3.064 20 30 CGEDHN Cc1ncccc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000598996493 347704846 /nfs/dbraw/zinc/70/48/46/347704846.db2.gz UQNHRELSMQVXAB-UHFFFAOYSA-N 0 3 279.387 3.481 20 30 CGEDHN CC[C@H]1c2ccsc2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598585830 347666877 /nfs/dbraw/zinc/66/68/77/347666877.db2.gz KZOQUCIZYLWTKE-JSGCOSHPSA-N 0 3 292.448 3.358 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000598585233 347667024 /nfs/dbraw/zinc/66/70/24/347667024.db2.gz AKWGJHKNLKBIAQ-JKSUJKDBSA-N 0 3 290.382 3.263 20 30 CGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000598598552 347669333 /nfs/dbraw/zinc/66/93/33/347669333.db2.gz BATPPZIBFZANEJ-BXUZGUMPSA-N 0 3 280.799 3.291 20 30 CGEDHN C/C(=C\c1ccccc1)CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598612047 347671191 /nfs/dbraw/zinc/67/11/91/347671191.db2.gz YHIUHLPOBUHQIF-OBHPCNEJSA-N 0 3 286.419 3.322 20 30 CGEDHN Cc1ccc(CN2CCNC[C@H]2c2ccccc2)cc1C#N ZINC000600712631 347830246 /nfs/dbraw/zinc/83/02/46/347830246.db2.gz ZITRCPANAUGFMF-IBGZPJMESA-N 0 3 291.398 3.013 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC2(CCCCC2)C1 ZINC000600744682 347831354 /nfs/dbraw/zinc/83/13/54/347831354.db2.gz APMZSXNSARAIGL-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000600161477 347785899 /nfs/dbraw/zinc/78/58/99/347785899.db2.gz JBDOOHSVDGGJGW-BDXSIMOUSA-N 0 3 296.414 3.311 20 30 CGEDHN COc1cc(CN2CC[C@H]3CC[C@@H](C2)S3)ccc1C#N ZINC000600190482 347791768 /nfs/dbraw/zinc/79/17/68/347791768.db2.gz QGWZMHASUWQGEJ-CABCVRRESA-N 0 3 288.416 3.037 20 30 CGEDHN C=CC[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000600212120 347793458 /nfs/dbraw/zinc/79/34/58/347793458.db2.gz ADVAFTXMQIPDPF-DLBZAZTESA-N 0 3 282.387 3.184 20 30 CGEDHN C=CCCSCCNCc1ccnn1CC1CCC1 ZINC000601131944 347873337 /nfs/dbraw/zinc/87/33/37/347873337.db2.gz RXSQRWRMNONKSH-UHFFFAOYSA-N 0 3 279.453 3.082 20 30 CGEDHN CCOCCC1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602011590 347932271 /nfs/dbraw/zinc/93/22/71/347932271.db2.gz HYKHAHPEOURWMZ-UHFFFAOYSA-N 0 3 290.382 3.384 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000602441976 347959332 /nfs/dbraw/zinc/95/93/32/347959332.db2.gz HKUDEUFYKJILDD-INIZCTEOSA-N 0 3 277.371 3.018 20 30 CGEDHN C[C@H](CCC#N)CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000602475537 347964710 /nfs/dbraw/zinc/96/47/10/347964710.db2.gz KSXUJGRDBDKTBS-INMHGKMJSA-N 0 3 272.392 3.388 20 30 CGEDHN CC[C@H](C)[C@@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602475485 347965237 /nfs/dbraw/zinc/96/52/37/347965237.db2.gz BVEVMGNYRNRXDO-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1cccc(C#N)n1 ZINC000602478103 347966369 /nfs/dbraw/zinc/96/63/69/347966369.db2.gz WJHDLLJCZXDQCB-KBXCAEBGSA-N 0 3 277.371 3.331 20 30 CGEDHN C[C@H](CCC#N)CN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602483560 347966844 /nfs/dbraw/zinc/96/68/44/347966844.db2.gz MPSAMWGGNFVFOR-LAPQFRIASA-N 0 3 292.448 3.357 20 30 CGEDHN CCS[C@H]1CC[C@@H](N(C)Cc2cccc(C#N)n2)C1 ZINC000602485906 347968009 /nfs/dbraw/zinc/96/80/09/347968009.db2.gz RRNWOACYVCEZGF-CABCVRRESA-N 0 3 275.421 3.059 20 30 CGEDHN N#Cc1cccc(CNCC2(c3ccccc3)CCC2)n1 ZINC000602509722 347972644 /nfs/dbraw/zinc/97/26/44/347972644.db2.gz JFWHSMDWSXSXCR-UHFFFAOYSA-N 0 3 277.371 3.165 20 30 CGEDHN Cc1ccc(CSCCNCc2cccc(C#N)n2)cc1 ZINC000602512079 347973747 /nfs/dbraw/zinc/97/37/47/347973747.db2.gz WITVXEXUFWDGAJ-UHFFFAOYSA-N 0 3 297.427 3.285 20 30 CGEDHN Cc1ccccc1C1(CNCc2cccc(C#N)n2)CC1 ZINC000602527774 347975715 /nfs/dbraw/zinc/97/57/15/347975715.db2.gz LCYHTDZYYWDTSG-UHFFFAOYSA-N 0 3 277.371 3.083 20 30 CGEDHN C[C@H](CCC#N)CNCc1c(F)c(F)cc(F)c1F ZINC000602573770 347985842 /nfs/dbraw/zinc/98/58/42/347985842.db2.gz UGCJUVDGDHVMLA-MRVPVSSYSA-N 0 3 274.261 3.272 20 30 CGEDHN CC[C@H](C)[C@@H](CNC1(c2cccc(C#N)c2)CC1)OC ZINC000602581296 347988258 /nfs/dbraw/zinc/98/82/58/347988258.db2.gz JKHLBRAGZFSJEH-XJKSGUPXSA-N 0 3 272.392 3.198 20 30 CGEDHN COc1cc2c(cc1F)CN(C[C@@H](C)CCC#N)CC2 ZINC000602584713 347988630 /nfs/dbraw/zinc/98/86/30/347988630.db2.gz JIMHJSNAYZLHRG-LBPRGKRZSA-N 0 3 276.355 3.132 20 30 CGEDHN C[C@H](C#N)CN[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602607471 347993029 /nfs/dbraw/zinc/99/30/29/347993029.db2.gz LBCGKHVMNNVYRB-HFTRVMKXSA-N 0 3 283.419 3.104 20 30 CGEDHN COc1c(C)cnc(CN(C)C[C@@H](C)CCC#N)c1C ZINC000602607478 347993172 /nfs/dbraw/zinc/99/31/72/347993172.db2.gz LDDQJHQIUOXAEZ-LBPRGKRZSA-N 0 3 275.396 3.079 20 30 CGEDHN C=CCCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602617319 347994480 /nfs/dbraw/zinc/99/44/80/347994480.db2.gz COAKGTLIEFFIDM-UHFFFAOYSA-N 0 3 275.308 3.182 20 30 CGEDHN Cn1cccc1[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000602785863 348028454 /nfs/dbraw/zinc/02/84/54/348028454.db2.gz WIFMPBHYPGWJDA-OAHLLOKOSA-N 0 3 257.381 3.246 20 30 CGEDHN N#Cc1cccc(CN(Cc2ccc(O)cc2)CC2CC2)n1 ZINC000602654360 348002189 /nfs/dbraw/zinc/00/21/89/348002189.db2.gz ALLFOLBQAKIYKU-UHFFFAOYSA-N 0 3 293.370 3.071 20 30 CGEDHN COc1ccc(F)c(CNC2CCC(C#N)CC2)c1 ZINC000602713920 348015951 /nfs/dbraw/zinc/01/59/51/348015951.db2.gz GUBBBZCHYHLOQY-UHFFFAOYSA-N 0 3 262.328 3.006 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602719147 348016456 /nfs/dbraw/zinc/01/64/56/348016456.db2.gz YDOSCEQUZCCLPB-JKSUJKDBSA-N 0 3 299.418 3.169 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1cc(C)c(C(=O)OC)o1 ZINC000602744127 348023362 /nfs/dbraw/zinc/02/33/62/348023362.db2.gz OYYARTLQSXMOFO-PWSUYJOCSA-N 0 3 265.353 3.065 20 30 CGEDHN CCc1nc([C@H](C)NC2CCC(C#N)CC2)cs1 ZINC000602551809 347980586 /nfs/dbraw/zinc/98/05/86/347980586.db2.gz FWSHNHYXOZKHQR-UNXYVOJBSA-N 0 3 263.410 3.438 20 30 CGEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)CC1(CC#N)CC1 ZINC000602794712 348030320 /nfs/dbraw/zinc/03/03/20/348030320.db2.gz JHPRDQUSAWUZRP-BBRMVZONSA-N 0 3 270.376 3.004 20 30 CGEDHN N#CCC1(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000602804289 348031092 /nfs/dbraw/zinc/03/10/92/348031092.db2.gz FMLITKAFNRCAIJ-CVEARBPZSA-N 0 3 270.376 3.048 20 30 CGEDHN N#CCC1(CN[C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000602830007 348034855 /nfs/dbraw/zinc/03/48/55/348034855.db2.gz TTXGLCNRJDGCNS-AWEZNQCLSA-N 0 3 278.783 3.047 20 30 CGEDHN C[C@@H]1CN(CCC2CCCCCC2)C[C@H](C)N1CC#N ZINC000602849200 348036151 /nfs/dbraw/zinc/03/61/51/348036151.db2.gz JSFQDFNTPLDCQQ-IYBDPMFKSA-N 0 3 277.456 3.265 20 30 CGEDHN CC1=Nc2ccccc2C12CCN(CCOCCC#N)CC2 ZINC000602864805 348038460 /nfs/dbraw/zinc/03/84/60/348038460.db2.gz QKGUNBYHYXDMQT-UHFFFAOYSA-N 0 3 297.402 3.056 20 30 CGEDHN N#CCC1(CN2CCC(c3ccc(F)cn3)CC2)CC1 ZINC000602902832 348041833 /nfs/dbraw/zinc/04/18/33/348041833.db2.gz FIELJXQTTPAWQL-UHFFFAOYSA-N 0 3 273.355 3.094 20 30 CGEDHN CSc1ccc(CN[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000603426031 348082295 /nfs/dbraw/zinc/08/22/95/348082295.db2.gz BZGUIBUMDKETED-QWRGUYRKSA-N 0 3 250.367 3.173 20 30 CGEDHN N#CCCC[C@@H](NCc1ccncc1N)c1ccccc1 ZINC000603430281 348083012 /nfs/dbraw/zinc/08/30/12/348083012.db2.gz ZLJVZWUUAAGXOI-QGZVFWFLSA-N 0 3 280.375 3.189 20 30 CGEDHN C=CCCCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000605150832 348148667 /nfs/dbraw/zinc/14/86/67/348148667.db2.gz LOTCTIGVIBXIML-HNNXBMFYSA-N 0 3 292.810 3.343 20 30 CGEDHN C=CCCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000606896331 348204873 /nfs/dbraw/zinc/20/48/73/348204873.db2.gz MZHWYFWJSASTPG-UHFFFAOYSA-N 0 3 298.352 3.399 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NCc1ccccc1C ZINC000606902268 348206575 /nfs/dbraw/zinc/20/65/75/348206575.db2.gz OEQHIHHXQUQLSM-UHFFFAOYSA-N 0 3 288.435 3.289 20 30 CGEDHN N#CCCCCN1CCCO[C@H](c2ccccc2)C1 ZINC000609233736 348340142 /nfs/dbraw/zinc/34/01/42/348340142.db2.gz IEUJKKNQGDHGAN-INIZCTEOSA-N 0 3 258.365 3.144 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000609268992 348340772 /nfs/dbraw/zinc/34/07/72/348340772.db2.gz FUZGJRXZENTDHP-UHFFFAOYSA-N 0 3 281.381 3.109 20 30 CGEDHN CC(C)C[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610995134 348417222 /nfs/dbraw/zinc/41/72/22/348417222.db2.gz NXEYKSINSWNOST-MRXNPFEDSA-N 0 3 257.381 3.354 20 30 CGEDHN N#Cc1cccc(CN2CCC(c3cccnc3)CC2)c1 ZINC000611258864 348432226 /nfs/dbraw/zinc/43/22/26/348432226.db2.gz VOSBPPGRNCQONW-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN C[C@@H](NCCOc1ccccc1C#N)c1cccc(C#N)c1 ZINC000611388337 348443893 /nfs/dbraw/zinc/44/38/93/348443893.db2.gz NMBSECXAKRDRGN-CQSZACIVSA-N 0 3 291.354 3.160 20 30 CGEDHN Cc1cc(C)cc([C@@H](C)NCc2ccnc(C#N)c2)c1 ZINC000611392957 348445371 /nfs/dbraw/zinc/44/53/71/348445371.db2.gz ZHJPWWQUUNBRRW-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN N#CCCn1cc(CN2CC=CCC2)c(-c2ccccc2)n1 ZINC000611521223 348458161 /nfs/dbraw/zinc/45/81/61/348458161.db2.gz WYHBONRXPMDXST-UHFFFAOYSA-N 0 3 292.386 3.226 20 30 CGEDHN N#CCCCN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000611937974 348481690 /nfs/dbraw/zinc/48/16/90/348481690.db2.gz DEWAUXPNCUEDFP-KRWDZBQOSA-N 0 3 271.408 3.107 20 30 CGEDHN CC(C)N1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613416894 348599061 /nfs/dbraw/zinc/59/90/61/348599061.db2.gz KSZIYUZLYDQJEB-AWEZNQCLSA-N 0 3 286.423 3.145 20 30 CGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N ZINC000613429514 348601749 /nfs/dbraw/zinc/60/17/49/348601749.db2.gz MFOLMHMUCNKADS-DOMZBBRYSA-N 0 3 298.434 3.145 20 30 CGEDHN C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C1=CCN(C)CC1 ZINC000613429292 348601797 /nfs/dbraw/zinc/60/17/97/348601797.db2.gz PRDMGAMTXFRVSH-ZDUSSCGKSA-N 0 3 298.434 3.313 20 30 CGEDHN C[C@@H](Cc1ccccc1)CN1CCC[C@](C)(C#N)C1 ZINC000614247865 348662402 /nfs/dbraw/zinc/66/24/02/348662402.db2.gz MIGCHBHKLLXBLL-DOTOQJQBSA-N 0 3 256.393 3.491 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000339502157 215213361 /nfs/dbraw/zinc/21/33/61/215213361.db2.gz QNKBWLLTFWMPRR-YEJXKQKISA-N 0 3 298.411 3.146 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1Cl)C[C@H]1CCOC1 ZINC000615223961 348725123 /nfs/dbraw/zinc/72/51/23/348725123.db2.gz JDLBAZHHDHIHNR-CYBMUJFWSA-N 0 3 278.783 3.070 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)[C@H](CO)c1ccccc1 ZINC000614397409 348673209 /nfs/dbraw/zinc/67/32/09/348673209.db2.gz RMFGJXYABCIGGZ-GOSISDBHSA-N 0 3 280.371 3.032 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)CCN(C)c1ccccc1 ZINC000614398177 348673269 /nfs/dbraw/zinc/67/32/69/348673269.db2.gz LOAGPYIQJIJBQN-UHFFFAOYSA-N 0 3 293.414 3.435 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000614963580 348704225 /nfs/dbraw/zinc/70/42/25/348704225.db2.gz IBCZGGJUGCZHTF-KBXCAEBGSA-N 0 3 284.403 3.368 20 30 CGEDHN CSCCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729068214 571864447 /nfs/dbraw/zinc/86/44/47/571864447.db2.gz YNWVODTVKDUSEG-SECBINFHSA-N 0 3 276.386 3.226 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCCC1 ZINC000617005112 348897340 /nfs/dbraw/zinc/89/73/40/348897340.db2.gz CRVBEZPRYJFCPU-CQSZACIVSA-N 0 3 278.440 3.112 20 30 CGEDHN CC(C)[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000617065725 348911448 /nfs/dbraw/zinc/91/14/48/348911448.db2.gz IIQBZFZYIGLIOR-GOSISDBHSA-N 0 3 299.462 3.260 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2[nH]cnc2c1 ZINC000618742120 349152255 /nfs/dbraw/zinc/15/22/55/349152255.db2.gz QCWANWQZYHWCAF-INIZCTEOSA-N 0 3 288.354 3.212 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2nc[nH]c2c1 ZINC000618742120 349152257 /nfs/dbraw/zinc/15/22/57/349152257.db2.gz QCWANWQZYHWCAF-INIZCTEOSA-N 0 3 288.354 3.212 20 30 CGEDHN N#Cc1ncccc1NC1CCN(Cc2ccccc2)CC1 ZINC000273998546 192396506 /nfs/dbraw/zinc/39/65/06/192396506.db2.gz JMHSAYUMKCTMOE-UHFFFAOYSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CC[C@H](CO)NCc1cc(Cl)ccc1Cl ZINC000273486943 192171373 /nfs/dbraw/zinc/17/13/73/192171373.db2.gz MNTBCLUTLOJLDQ-LLVKDONJSA-N 0 3 260.164 3.020 20 30 CGEDHN N#CC1CCC(CNCc2nc3c(s2)CCC3)CC1 ZINC000619655164 349267058 /nfs/dbraw/zinc/26/70/58/349267058.db2.gz IAOHHYUDXJYWER-UHFFFAOYSA-N 0 3 275.421 3.051 20 30 CGEDHN C[C@@H](NCC1(C(F)F)CC1)c1ccc(C#N)c(F)c1 ZINC000359003536 233237491 /nfs/dbraw/zinc/23/74/91/233237491.db2.gz RWMCUTYWCLZTSM-SECBINFHSA-N 0 3 268.282 3.393 20 30 CGEDHN CC1(C)CCC[C@](CO)(NCC#Cc2ccc(F)cc2)C1 ZINC000625830990 350217133 /nfs/dbraw/zinc/21/71/33/350217133.db2.gz BWDHNXGXLXMLJD-SFHVURJKSA-N 0 3 289.394 3.098 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000625705202 350200760 /nfs/dbraw/zinc/20/07/60/350200760.db2.gz YOPFKKPKMDMMFZ-QAPCUYQASA-N 0 3 298.430 3.078 20 30 CGEDHN C=CCC1(NCc2nccc(OC)c2OC)CCCCC1 ZINC000625934192 350232690 /nfs/dbraw/zinc/23/26/90/350232690.db2.gz DTAOXWUFDCCREW-UHFFFAOYSA-N 0 3 290.407 3.467 20 30 CGEDHN C=CCC1([NH2+]Cc2nnc(C(C)C)[n-]2)CCCCC1 ZINC000625934500 350233435 /nfs/dbraw/zinc/23/34/35/350233435.db2.gz POITVJBGPCENLW-UHFFFAOYSA-N 0 3 262.401 3.297 20 30 CGEDHN C=CCC1(NCc2nnc(C(C)C)[nH]2)CCCCC1 ZINC000625934500 350233437 /nfs/dbraw/zinc/23/34/37/350233437.db2.gz POITVJBGPCENLW-UHFFFAOYSA-N 0 3 262.401 3.297 20 30 CGEDHN C=CCC1(NCc2nnnn2-c2ccccc2)CCCCC1 ZINC000625937600 350233867 /nfs/dbraw/zinc/23/38/67/350233867.db2.gz ITNYCPKFEMWGIA-UHFFFAOYSA-N 0 3 297.406 3.031 20 30 CGEDHN CC#CCCN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625998311 350242843 /nfs/dbraw/zinc/24/28/43/350242843.db2.gz FOGDVERLLNLWDO-UHFFFAOYSA-N 0 3 287.407 3.005 20 30 CGEDHN C=CCCCCCN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000625994659 350243336 /nfs/dbraw/zinc/24/33/36/350243336.db2.gz DUUOMCBQBLLUPD-AWEZNQCLSA-N 0 3 261.369 3.066 20 30 CGEDHN C=CCCN(C)Cc1ccc(OC)c(OC2CC2)c1 ZINC000628247341 350464565 /nfs/dbraw/zinc/46/45/65/350464565.db2.gz XAVXEALEMNWHIT-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000628404964 350528961 /nfs/dbraw/zinc/52/89/61/350528961.db2.gz AEGRMEWFOKVSJC-JSGCOSHPSA-N 0 3 278.421 3.393 20 30 CGEDHN C=CC[C@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000628406677 350529288 /nfs/dbraw/zinc/52/92/88/350529288.db2.gz OJVGSNHCWJZSNB-LBPRGKRZSA-N 0 3 262.422 3.420 20 30 CGEDHN C=CC(C)(C)CCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000629250724 350672193 /nfs/dbraw/zinc/67/21/93/350672193.db2.gz GKLJERQYNYUQAZ-INIZCTEOSA-N 0 3 286.419 3.198 20 30 CGEDHN C=C1CC(C)(C(=O)Nc2ccc(CN(C)C)cc2)C1 ZINC000630677318 350869277 /nfs/dbraw/zinc/86/92/77/350869277.db2.gz AHAMWOPOXNEMTM-UHFFFAOYSA-N 0 3 258.365 3.043 20 30 CGEDHN C=CCCC1(CNCc2ncnn2C(C)C)CCCC1 ZINC000631169658 350976497 /nfs/dbraw/zinc/97/64/97/350976497.db2.gz HUJRNVZCODGJEM-UHFFFAOYSA-N 0 3 276.428 3.475 20 30 CGEDHN C=CC[C@@H](CO)CNCc1oc2ccccc2c1Cl ZINC000631108258 350956203 /nfs/dbraw/zinc/95/62/03/350956203.db2.gz VBTPARZIQQQJIG-LLVKDONJSA-N 0 3 279.767 3.360 20 30 CGEDHN C[C@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)cc1 ZINC000154186224 188128786 /nfs/dbraw/zinc/12/87/86/188128786.db2.gz YBNSHWYELBLZMY-AWEZNQCLSA-N 0 3 279.387 3.475 20 30 CGEDHN COCC[C@@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC000368654625 234330510 /nfs/dbraw/zinc/33/05/10/234330510.db2.gz ATMFBFGGUJSLCF-AWEZNQCLSA-N 0 3 290.382 3.336 20 30 CGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccs1 ZINC000156162290 188246173 /nfs/dbraw/zinc/24/61/73/188246173.db2.gz JULXAEAFVYSECC-LBPRGKRZSA-N 0 3 272.373 3.349 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCc1nccs1 ZINC000157996742 188351777 /nfs/dbraw/zinc/35/17/77/188351777.db2.gz JJOISTZWGZYAEC-LBPRGKRZSA-N 0 3 271.389 3.250 20 30 CGEDHN COc1ccc([C@@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000271724487 191291740 /nfs/dbraw/zinc/29/17/40/191291740.db2.gz XHXGNONOZAGDOT-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN C#CC[C@H](NCCc1csc(C)n1)c1ccccc1 ZINC000271732015 191296561 /nfs/dbraw/zinc/29/65/61/191296561.db2.gz SONKAFHXXUPXQL-INIZCTEOSA-N 0 3 270.401 3.348 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000334736584 283058030 /nfs/dbraw/zinc/05/80/30/283058030.db2.gz MFPIVEUYTRFJEC-CZUORRHYSA-N 0 3 268.360 3.174 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000349375516 283058230 /nfs/dbraw/zinc/05/82/30/283058230.db2.gz CNIVVNKDUSCKHU-DJSGYFEHSA-N 0 3 258.340 3.485 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H](O)c1cccc(F)c1 ZINC000271840970 191360755 /nfs/dbraw/zinc/36/07/55/191360755.db2.gz GRPNJKCOITUQKF-JCGVRSQUSA-N 0 3 298.361 3.470 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)s1 ZINC000369596581 283140284 /nfs/dbraw/zinc/14/02/84/283140284.db2.gz JLQDILJOKMZIEU-OAGGEKHMSA-N 0 3 290.432 3.135 20 30 CGEDHN C[C@@H]1N(Cc2ccc(C#N)s2)CCC12CCOCC2 ZINC000336010449 212812107 /nfs/dbraw/zinc/81/21/07/212812107.db2.gz YJAMMAXORVEHJT-LBPRGKRZSA-N 0 3 276.405 3.011 20 30 CGEDHN N#Cc1ccc(CN2CCCCC[C@H]2CCO)c(Cl)c1 ZINC000342041153 216196308 /nfs/dbraw/zinc/19/63/08/216196308.db2.gz BPEXGIGVHORCFU-HNNXBMFYSA-N 0 3 292.810 3.339 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC000178791958 189146476 /nfs/dbraw/zinc/14/64/76/189146476.db2.gz NDWSXQMDLIYCKZ-HOTGVXAUSA-N 0 3 288.366 3.135 20 30 CGEDHN N#Cc1ccc(CNC2(CCO)CCCCC2)c(Cl)c1 ZINC000439441714 238256459 /nfs/dbraw/zinc/25/64/59/238256459.db2.gz KJURZHJYLNRABG-UHFFFAOYSA-N 0 3 292.810 3.387 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc(C#N)ccc1F ZINC000119382388 370672657 /nfs/dbraw/zinc/67/26/57/370672657.db2.gz MHNJXQBXRGGNJO-CYBMUJFWSA-N 0 3 298.361 3.466 20 30 CGEDHN CCN1CCCC[C@H]1CNc1c(C#N)cnc2ccccc21 ZINC000301517167 201042102 /nfs/dbraw/zinc/04/21/02/201042102.db2.gz DCTKQMXFZGDUQR-HNNXBMFYSA-N 0 3 294.402 3.393 20 30 CGEDHN C=CC[C@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000275363508 193010799 /nfs/dbraw/zinc/01/07/99/193010799.db2.gz TZWFTDFOTUFOPY-YJBOKZPZSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccccc1)C(C)C ZINC000121413556 370857771 /nfs/dbraw/zinc/85/77/71/370857771.db2.gz KPNCJGMZBWWDKZ-SFHVURJKSA-N 0 3 286.419 3.174 20 30 CGEDHN C[C@H](COCC(F)(F)F)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353274011 220002318 /nfs/dbraw/zinc/00/23/18/220002318.db2.gz NXGVSDWNABPKQC-YGRLFVJLSA-N 0 3 298.308 3.103 20 30 CGEDHN C[C@@H](NC/C=C\c1ccncc1)c1ccc(C#N)cc1 ZINC000486979094 243391683 /nfs/dbraw/zinc/39/16/83/243391683.db2.gz DGZBYIIODZHVJD-PYLYLYNFSA-N 0 3 263.344 3.317 20 30 CGEDHN C=CCSCCNCc1ccc(F)cc1Cl ZINC000124258548 370923181 /nfs/dbraw/zinc/92/31/81/370923181.db2.gz AHOQAYFPYGSEAY-UHFFFAOYSA-N 0 3 259.777 3.488 20 30 CGEDHN Cc1ccc2c(CCNC[C@H](C#N)CCC#N)cn(C)c2c1 ZINC000574261212 335004719 /nfs/dbraw/zinc/00/47/19/335004719.db2.gz KKJXAPGVIYSSJF-HNNXBMFYSA-N 0 3 294.402 3.062 20 30 CGEDHN CCCC[C@@H]1CCC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000492871996 244041377 /nfs/dbraw/zinc/04/13/77/244041377.db2.gz KDGKHNXPVMSEHP-DJIMGWMZSA-N 0 3 299.418 3.033 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000053096003 369478265 /nfs/dbraw/zinc/47/82/65/369478265.db2.gz FTJZUWXIQJBUFO-CQSZACIVSA-N 0 3 259.349 3.171 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000055386533 369516785 /nfs/dbraw/zinc/51/67/85/369516785.db2.gz UIGIHLFPKPHJDB-CJNGLKHVSA-N 0 3 285.391 3.007 20 30 CGEDHN CC[C@H](C)N1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000061851227 369607965 /nfs/dbraw/zinc/60/79/65/369607965.db2.gz CZXOFGWJDLLNEQ-LBPRGKRZSA-N 0 3 277.799 3.132 20 30 CGEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccoc1 ZINC000072599501 369827111 /nfs/dbraw/zinc/82/71/11/369827111.db2.gz CRJYBMZICSGNBW-UHFFFAOYSA-N 0 3 297.358 3.002 20 30 CGEDHN COC[C@H](N[C@@H](CCC#N)c1ccccc1)C(C)C ZINC000090665658 370063374 /nfs/dbraw/zinc/06/33/74/370063374.db2.gz MONRGTNFJSBOON-HOTGVXAUSA-N 0 3 260.381 3.292 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000090883649 370070228 /nfs/dbraw/zinc/07/02/28/370070228.db2.gz YPSLFSGSHBZFHG-AWEZNQCLSA-N 0 3 270.376 3.478 20 30 CGEDHN CN(Cc1cc(Cl)cn1C)CC(C)(C)CCC#N ZINC000091931547 370081114 /nfs/dbraw/zinc/08/11/14/370081114.db2.gz NSVGJAHFFPLLGN-UHFFFAOYSA-N 0 3 267.804 3.440 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](n2cccn2)C1 ZINC000092967617 370105456 /nfs/dbraw/zinc/10/54/56/370105456.db2.gz AHBZBONMILKYTM-KRWDZBQOSA-N 0 3 297.402 3.285 20 30 CGEDHN C=CC1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000093359251 370118007 /nfs/dbraw/zinc/11/80/07/370118007.db2.gz DQRZGVJUJMSAGM-UHFFFAOYSA-N 0 3 261.365 3.102 20 30 CGEDHN CC(C)[C@@H](C(=O)Nc1ccc(CC#N)cc1)N1CCCCC1 ZINC000104209469 370340459 /nfs/dbraw/zinc/34/04/59/370340459.db2.gz MZPGSVCGQBSLSS-KRWDZBQOSA-N 0 3 299.418 3.202 20 30 CGEDHN C=C(CNCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000111158674 370393671 /nfs/dbraw/zinc/39/36/71/370393671.db2.gz LGGYHBPQVPOXSO-UHFFFAOYSA-N 0 3 268.316 3.398 20 30 CGEDHN C=CC[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000116927599 370575263 /nfs/dbraw/zinc/57/52/63/370575263.db2.gz PONYHJSEHHOGBQ-SECBINFHSA-N 0 3 254.717 3.302 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(n2ccnc2)CC1 ZINC000118399260 370613937 /nfs/dbraw/zinc/61/39/37/370613937.db2.gz TYVNOGAOWKHSJW-AWEZNQCLSA-N 0 3 280.375 3.153 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1C(C)C ZINC000130477600 371037862 /nfs/dbraw/zinc/03/78/62/371037862.db2.gz OYNWBPFKANTKFS-OAHLLOKOSA-N 0 3 258.365 3.187 20 30 CGEDHN COCC(C)(C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175759341 261245465 /nfs/dbraw/zinc/24/54/65/261245465.db2.gz QGHYKXFYGJDGEV-UHFFFAOYSA-N 0 3 285.309 3.072 20 30 CGEDHN C=CC1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000131907544 371138519 /nfs/dbraw/zinc/13/85/19/371138519.db2.gz CITAGKGDZZMCLJ-UHFFFAOYSA-N 0 3 281.403 3.329 20 30 CGEDHN C[C@H](Cc1ccccc1)CN(CCC#N)CC1CC1 ZINC000132308161 371164934 /nfs/dbraw/zinc/16/49/34/371164934.db2.gz ZLHSFLHBFJCZAS-OAHLLOKOSA-N 0 3 256.393 3.491 20 30 CGEDHN COc1ccc(CN(C)[C@@H](C)CCSC)cc1C#N ZINC000135195022 371399797 /nfs/dbraw/zinc/39/97/97/371399797.db2.gz YRQNZPOHKTXRPT-LBPRGKRZSA-N 0 3 278.421 3.140 20 30 CGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC1CC1 ZINC000135264082 371407932 /nfs/dbraw/zinc/40/79/32/371407932.db2.gz UGTFLXDGNIUZNP-HNNXBMFYSA-N 0 3 299.418 3.054 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C(C)C)C1 ZINC000135398037 371422495 /nfs/dbraw/zinc/42/24/95/371422495.db2.gz SYNPEDOLVMLUSH-CQSZACIVSA-N 0 3 258.365 3.045 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3ccccc32)s1 ZINC000135673952 371442942 /nfs/dbraw/zinc/44/29/42/371442942.db2.gz UANGIFSSEJKXFY-HNNXBMFYSA-N 0 3 254.358 3.397 20 30 CGEDHN COc1cccc2c1CC[C@@H]2NCc1cccc(C#N)c1 ZINC000151893806 371648724 /nfs/dbraw/zinc/64/87/24/371648724.db2.gz VJFYTFSNDMNBOO-KRWDZBQOSA-N 0 3 278.355 3.344 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000152758104 371721565 /nfs/dbraw/zinc/72/15/65/371721565.db2.gz IVUBYDATFPHMOI-GFCCVEGCSA-N 0 3 285.343 3.397 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cccn2C(C)C)n1 ZINC000153118638 371749364 /nfs/dbraw/zinc/74/93/64/371749364.db2.gz KXAYHJVSXCXICQ-NSHDSACASA-N 0 3 273.361 3.324 20 30 CGEDHN C[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154167426 371824914 /nfs/dbraw/zinc/82/49/14/371824914.db2.gz HNPMGCJBVQRMFQ-LBPRGKRZSA-N 0 3 283.293 3.421 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CC=CCC1 ZINC000344067469 217035408 /nfs/dbraw/zinc/03/54/08/217035408.db2.gz PLYLSMKEAQYELS-LSDHHAIUSA-N 0 3 297.402 3.173 20 30 CGEDHN C=CCN(C)Cc1cccc(OCc2ccccn2)c1 ZINC000154764698 371876873 /nfs/dbraw/zinc/87/68/73/371876873.db2.gz YGDKJKCJYSQKKF-UHFFFAOYSA-N 0 3 268.360 3.278 20 30 CGEDHN CC(C)N(Cc1cccn1C)Cc1ccc(C#N)cc1 ZINC000154386145 371842370 /nfs/dbraw/zinc/84/23/70/371842370.db2.gz GTBVTCIYOSNEGF-UHFFFAOYSA-N 0 3 267.376 3.307 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1ccc(F)cc1 ZINC000155625256 371935560 /nfs/dbraw/zinc/93/55/60/371935560.db2.gz FZCANRCPZHMBIH-OAHLLOKOSA-N 0 3 251.345 3.459 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C3CC3)C2)cc1F ZINC000344114136 217056139 /nfs/dbraw/zinc/05/61/39/217056139.db2.gz SHDHAXNBJQGHSE-HNNXBMFYSA-N 0 3 258.340 3.319 20 30 CGEDHN C#CCN(CCc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000155776447 371944058 /nfs/dbraw/zinc/94/40/58/371944058.db2.gz VIFSIYWTQNYGLY-UHFFFAOYSA-N 0 3 295.386 3.157 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000156146727 371964292 /nfs/dbraw/zinc/96/42/92/371964292.db2.gz VRYNTIMWGKKBPU-SOUVJXGZSA-N 0 3 266.429 3.062 20 30 CGEDHN CN(CC#Cc1ccc(F)cc1)CCc1ccccc1 ZINC000156210879 371968074 /nfs/dbraw/zinc/96/80/74/371968074.db2.gz FOQJSBDJCHOFAO-UHFFFAOYSA-N 0 3 267.347 3.352 20 30 CGEDHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CC=CCC1 ZINC000156509850 371982548 /nfs/dbraw/zinc/98/25/48/371982548.db2.gz QCWVZJYRJLFTEU-CYBMUJFWSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000158140920 372056044 /nfs/dbraw/zinc/05/60/44/372056044.db2.gz ZWGUTXYDZCUYNB-UHFFFAOYSA-N 0 3 299.374 3.131 20 30 CGEDHN C[C@H](NC[C@H]1NCCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446301 372064077 /nfs/dbraw/zinc/06/40/77/372064077.db2.gz ZANBYGHACYENRG-IFXJQAMLSA-N 0 3 291.398 3.096 20 30 CGEDHN C=CCN(CCCOCC)Cc1cccc([N+](=O)[O-])c1 ZINC000159749251 372175249 /nfs/dbraw/zinc/17/52/49/372175249.db2.gz KAFWMGMIMNYDCR-UHFFFAOYSA-N 0 3 278.352 3.009 20 30 CGEDHN CC(C)[C@]1(CO)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000292906408 372244425 /nfs/dbraw/zinc/24/44/25/372244425.db2.gz ATWVOLQOQYHHCE-CRAIPNDOSA-N 0 3 286.419 3.350 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccccc1C(C)(C)C#N ZINC000429709595 372377329 /nfs/dbraw/zinc/37/73/29/372377329.db2.gz QWGGMJUQWLUEQF-UHFFFAOYSA-N 0 3 299.462 3.427 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1cccc(OC)c1 ZINC000429709267 372377544 /nfs/dbraw/zinc/37/75/44/372377544.db2.gz PHWRDEQSTVSVCV-HNNXBMFYSA-N 0 3 276.424 3.196 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ccc(F)cc1F ZINC000429713304 372377690 /nfs/dbraw/zinc/37/76/90/372377690.db2.gz DCQKRNZHPCRHGY-ZDUSSCGKSA-N 0 3 282.378 3.466 20 30 CGEDHN CC[C@@H]1CCN1Cc1cccc(OCCCC#N)c1 ZINC000430195588 372385968 /nfs/dbraw/zinc/38/59/68/372385968.db2.gz OIYBQJRJBIBCFD-OAHLLOKOSA-N 0 3 258.365 3.353 20 30 CGEDHN C[C@H](c1cccc(Cl)c1)N(C)CCOCCC#N ZINC000293665441 372441889 /nfs/dbraw/zinc/44/18/89/372441889.db2.gz ZBFKBWRMSCEQLU-GFCCVEGCSA-N 0 3 266.772 3.263 20 30 CGEDHN C=CCCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000163383067 372465401 /nfs/dbraw/zinc/46/54/01/372465401.db2.gz QHECTYRIEWBTDI-GOSISDBHSA-N 0 3 286.419 3.124 20 30 CGEDHN C=CC1CCN([C@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000432821625 372574058 /nfs/dbraw/zinc/57/40/58/372574058.db2.gz ZAJUAKREWMQQDJ-LLVKDONJSA-N 0 3 277.364 3.334 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@H](C)c1cccc(C#N)c1)OC ZINC000294095363 372579516 /nfs/dbraw/zinc/57/95/16/372579516.db2.gz BLVDAWHCOOVOJP-WOSRLPQWSA-N 0 3 260.381 3.270 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000433229659 372584292 /nfs/dbraw/zinc/58/42/92/372584292.db2.gz ZNXIJIVEAJIOID-INIZCTEOSA-N 0 3 278.440 3.208 20 30 CGEDHN C[C@H](N(C)C(=O)C(C#N)CCc1ccccc1)C1(C)CC1 ZINC000433366799 372598063 /nfs/dbraw/zinc/59/80/63/372598063.db2.gz SHYHPRUBFOKLFV-GOEBONIOSA-N 0 3 284.403 3.406 20 30 CGEDHN C[C@H](N(C)C(=O)C(C#N)CCc1ccccc1)C1(C)CC1 ZINC000433366801 372598380 /nfs/dbraw/zinc/59/83/80/372598380.db2.gz SHYHPRUBFOKLFV-HOCLYGCPSA-N 0 3 284.403 3.406 20 30 CGEDHN C=CCC(F)(F)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000294460946 372657146 /nfs/dbraw/zinc/65/71/46/372657146.db2.gz WDXVQWAXNQXMGY-UHFFFAOYSA-N 0 3 282.334 3.207 20 30 CGEDHN CC1(C)CCN(CC#Cc2ccc(F)cc2)CCS1 ZINC000434695248 372701883 /nfs/dbraw/zinc/70/18/83/372701883.db2.gz YGHLZVSCLGPEAX-UHFFFAOYSA-N 0 3 277.408 3.395 20 30 CGEDHN C=CCC[C@H](NCCc1nccnc1C)c1ccco1 ZINC000295067779 372689836 /nfs/dbraw/zinc/68/98/36/372689836.db2.gz RUDGWTWHRHIAET-HNNXBMFYSA-N 0 3 271.364 3.218 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CSC[C@H]1C ZINC000295152901 372695840 /nfs/dbraw/zinc/69/58/40/372695840.db2.gz JQWPCOHWTCHCTA-OCCSQVGLSA-N 0 3 263.406 3.093 20 30 CGEDHN C=CCN(CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1 ZINC000438839324 372971030 /nfs/dbraw/zinc/97/10/30/372971030.db2.gz VFBAWIVBYJKFJR-INIZCTEOSA-N 0 3 286.419 3.076 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2SCCc3ccccc32)o1 ZINC000344762130 217302884 /nfs/dbraw/zinc/30/28/84/217302884.db2.gz NMKNLWXYCRSCLE-MRXNPFEDSA-N 0 3 284.384 3.271 20 30 CGEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000441665130 373031680 /nfs/dbraw/zinc/03/16/80/373031680.db2.gz HLKWFFCTQMTBBZ-INIZCTEOSA-N 0 3 299.418 3.397 20 30 CGEDHN N#Cc1ccc([C@H](O)CN2CC(C3CCCCC3)C2)cc1 ZINC000296148020 373036314 /nfs/dbraw/zinc/03/63/14/373036314.db2.gz MPOCUFPQCBPBTD-GOSISDBHSA-N 0 3 284.403 3.104 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C12CCC2 ZINC000296315919 373086708 /nfs/dbraw/zinc/08/67/08/373086708.db2.gz PZDHWPCZGMWQOI-HZPDHXFCSA-N 0 3 288.366 3.135 20 30 CGEDHN C=CCC[C@@H](C)NCc1ccncc1OCC(F)F ZINC000442866806 373109672 /nfs/dbraw/zinc/10/96/72/373109672.db2.gz MVBIABGJCUASSG-LLVKDONJSA-N 0 3 270.323 3.170 20 30 CGEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(C)C#N ZINC000444626032 373213596 /nfs/dbraw/zinc/21/35/96/373213596.db2.gz LNTMKSXAOQDGGH-CMPLNLGQSA-N 0 3 284.281 3.264 20 30 CGEDHN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(C)C#N ZINC000444626033 373215013 /nfs/dbraw/zinc/21/50/13/373215013.db2.gz LNTMKSXAOQDGGH-JQWIXIFHSA-N 0 3 284.281 3.264 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCC=C(C)C)CC1 ZINC000296570843 373182065 /nfs/dbraw/zinc/18/20/65/373182065.db2.gz XVCQRUZPQAXZGD-HNNXBMFYSA-N 0 3 293.455 3.071 20 30 CGEDHN C#CCOc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296970244 373254906 /nfs/dbraw/zinc/25/49/06/373254906.db2.gz RLXNNPWRQMDBFP-INIZCTEOSA-N 0 3 293.366 3.181 20 30 CGEDHN CC(C)[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000446728831 373347977 /nfs/dbraw/zinc/34/79/77/373347977.db2.gz QFZQTKABRZUVEG-HNNXBMFYSA-N 0 3 296.374 3.086 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000175099803 373408448 /nfs/dbraw/zinc/40/84/48/373408448.db2.gz BAXNQMDGVQEGCK-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN Cc1ccc(C2(CNC(=O)C(C)C#N)CCC2)cc1C ZINC000447616350 373465531 /nfs/dbraw/zinc/46/55/31/373465531.db2.gz XTKZWQQCZXPMQL-AWEZNQCLSA-N 0 3 270.376 3.001 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000449138413 373666003 /nfs/dbraw/zinc/66/60/03/373666003.db2.gz BZRPEWRFQDNEKM-CABCVRRESA-N 0 3 299.422 3.448 20 30 CGEDHN CC#CCCNCc1cc2ccccc2cc1OC ZINC000449224022 373673018 /nfs/dbraw/zinc/67/30/18/373673018.db2.gz GUXFBVNLRDOKHK-UHFFFAOYSA-N 0 3 253.345 3.351 20 30 CGEDHN C=CCN(Cc1ccc2c(c1)OCCCCO2)C1CC1 ZINC000449238671 373675375 /nfs/dbraw/zinc/67/53/75/373675375.db2.gz SJKVTPVXAUDXEU-UHFFFAOYSA-N 0 3 273.376 3.388 20 30 CGEDHN CC[C@@H]1CCCCN1CCNc1ccc(C#N)cc1F ZINC000301285114 373728673 /nfs/dbraw/zinc/72/86/73/373728673.db2.gz RDOYCOWMLHHJMU-CQSZACIVSA-N 0 3 275.371 3.374 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@]3(CCOC3)C2)c1 ZINC000449682460 373840157 /nfs/dbraw/zinc/84/01/57/373840157.db2.gz HEZWQOQHXRMNND-SFHVURJKSA-N 0 3 287.403 3.254 20 30 CGEDHN C=CCC1(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CCCC1 ZINC000449612870 373835884 /nfs/dbraw/zinc/83/58/84/373835884.db2.gz PCLJFTPZBHGHQZ-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN Cc1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1C ZINC000449762786 373892168 /nfs/dbraw/zinc/89/21/68/373892168.db2.gz LJBMSAXYJBUGGM-UHFFFAOYSA-N 0 3 267.376 3.146 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cnc(-c2ccc(C)o2)s1 ZINC000449699983 373846049 /nfs/dbraw/zinc/84/60/49/373846049.db2.gz RVIVCZKFWOJUMV-LBPRGKRZSA-N 0 3 292.404 3.128 20 30 CGEDHN CC(C)(CNCc1cc(C#N)cs1)C1(O)CCCC1 ZINC000449736972 373864581 /nfs/dbraw/zinc/86/45/81/373864581.db2.gz PSIFAUDXZYTLTC-UHFFFAOYSA-N 0 3 278.421 3.041 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1ccccc1OCC ZINC000179748091 373911424 /nfs/dbraw/zinc/91/14/24/373911424.db2.gz FYAWUFXSJJXHIQ-ZBFHGGJFSA-N 0 3 277.408 3.453 20 30 CGEDHN C=CCCCN(C)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449898170 373962456 /nfs/dbraw/zinc/96/24/56/373962456.db2.gz CZSCMCKRQSGCNM-INIZCTEOSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](CC)c1ccccc1OCC ZINC000179748115 373912364 /nfs/dbraw/zinc/91/23/64/373912364.db2.gz FYAWUFXSJJXHIQ-HOCLYGCPSA-N 0 3 277.408 3.453 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccccc1OC ZINC000180453865 374008472 /nfs/dbraw/zinc/00/84/72/374008472.db2.gz JSSKLJQXYZDMIL-LBPRGKRZSA-N 0 3 251.395 3.265 20 30 CGEDHN CN(CCCCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000180488438 374014426 /nfs/dbraw/zinc/01/44/26/374014426.db2.gz UDXIRMXFAGZDRI-UHFFFAOYSA-N 0 3 256.271 3.230 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1cccc(OCC)c1 ZINC000180708861 374037195 /nfs/dbraw/zinc/03/71/95/374037195.db2.gz ZQYVJKJCVDRNAK-ZFWWWQNUSA-N 0 3 263.381 3.063 20 30 CGEDHN C=CCCN[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181833753 374179081 /nfs/dbraw/zinc/17/90/81/374179081.db2.gz MELPPWRPCBPCSF-OAHLLOKOSA-N 0 3 261.365 3.235 20 30 CGEDHN C=CCNC(=O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC000181942625 374194472 /nfs/dbraw/zinc/19/44/72/374194472.db2.gz OGMRMXMYPGDBTN-QGZVFWFLSA-N 0 3 286.419 3.200 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000182344811 374261903 /nfs/dbraw/zinc/26/19/03/374261903.db2.gz LDQVAPGEJSKEDX-WMLDXEAASA-N 0 3 286.419 3.341 20 30 CGEDHN Cc1ncccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000311392776 374240705 /nfs/dbraw/zinc/24/07/05/374240705.db2.gz CYELGFIFOBETDL-LBPRGKRZSA-N 0 3 251.333 3.113 20 30 CGEDHN CC[C@@H](C)CN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182777345 374325024 /nfs/dbraw/zinc/32/50/24/374325024.db2.gz XYAZHMONWDIYGW-RHSMWYFYSA-N 0 3 299.418 3.032 20 30 CGEDHN CC(F)(F)CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000453226070 374370609 /nfs/dbraw/zinc/37/06/09/374370609.db2.gz WRCUJSZVSMGHTR-CYBMUJFWSA-N 0 3 250.292 3.180 20 30 CGEDHN CC[C@@](C)(CN[C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000453308620 374407351 /nfs/dbraw/zinc/40/73/51/374407351.db2.gz WJOIEJDULXTGKJ-NHYWBVRUSA-N 0 3 264.344 3.163 20 30 CGEDHN N#CC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCCCC1 ZINC000329936115 374442554 /nfs/dbraw/zinc/44/25/54/374442554.db2.gz CVXIPANAMMCLQP-OAHLLOKOSA-N 0 3 289.423 3.434 20 30 CGEDHN COc1ccccc1C[C@@H](NC[C@@H](C#N)CCC#N)C(C)C ZINC000185871140 374757782 /nfs/dbraw/zinc/75/77/82/374757782.db2.gz FNETZASTWKBOMG-NVXWUHKLSA-N 0 3 299.418 3.295 20 30 CGEDHN COc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1C ZINC000185812449 374743057 /nfs/dbraw/zinc/74/30/57/374743057.db2.gz KTGURZIDKCOUCD-DZGCQCFKSA-N 0 3 258.365 3.176 20 30 CGEDHN C[C@H](NC1CC(C)(F)C1)c1ccc(C#N)cc1F ZINC000334518847 374814716 /nfs/dbraw/zinc/81/47/16/374814716.db2.gz BLBKYOWRDXMSMG-VOIZVOFFSA-N 0 3 250.292 3.239 20 30 CGEDHN C=CCCOCCN[C@H](C)c1sccc1OC ZINC000186232410 374818442 /nfs/dbraw/zinc/81/84/42/374818442.db2.gz VIFFAOCXSVYYOL-LLVKDONJSA-N 0 3 255.383 3.000 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000186699514 374900296 /nfs/dbraw/zinc/90/02/96/374900296.db2.gz JLWXBBVKXIDAPU-MFKMUULPSA-N 0 3 273.298 3.293 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000186706406 374902563 /nfs/dbraw/zinc/90/25/63/374902563.db2.gz CNBIFRUGLZJIIN-WCQYABFASA-N 0 3 275.348 3.029 20 30 CGEDHN C=CC[C@H](CO)N[C@H](CC)c1ccccc1OC(F)F ZINC000186707366 374903247 /nfs/dbraw/zinc/90/32/47/374903247.db2.gz NHMMKACGDNIWIA-DGCLKSJQSA-N 0 3 285.334 3.266 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCC[C@H](C)C1 ZINC000187973084 375129026 /nfs/dbraw/zinc/12/90/26/375129026.db2.gz YHWXSNVEGBPORY-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H]1CC[C@@H](C)O1 ZINC000475048493 375130373 /nfs/dbraw/zinc/13/03/73/375130373.db2.gz PJEPSEWHPSEOHV-WBVHZDCISA-N 0 3 259.393 3.285 20 30 CGEDHN CC[C@@H](CN(CC)C(=O)C(C)C#N)c1ccccc1 ZINC000482256491 375169533 /nfs/dbraw/zinc/16/95/33/375169533.db2.gz XXIIZAFOEKKJHP-KGLIPLIRSA-N 0 3 258.365 3.188 20 30 CGEDHN CCCCC[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000486798484 375197994 /nfs/dbraw/zinc/19/79/94/375197994.db2.gz CPPFELQFEUHZQO-RDJZCZTQSA-N 0 3 293.455 3.086 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000488234917 375306847 /nfs/dbraw/zinc/30/68/47/375306847.db2.gz SDMVRSDBJYGURD-MAUKXSAKSA-N 0 3 292.382 3.289 20 30 CGEDHN Cc1ccc([C@H]2CCCCCN2C(=O)C(C)C#N)o1 ZINC000335680352 375342171 /nfs/dbraw/zinc/34/21/71/375342171.db2.gz UOKKIKMLPREFEG-WCQYABFASA-N 0 3 260.337 3.191 20 30 CGEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000495124609 375497722 /nfs/dbraw/zinc/49/77/22/375497722.db2.gz WVVUWYTWQOMLNA-AEFFLSMTSA-N 0 3 298.430 3.089 20 30 CGEDHN N#Cc1ccc(CN(C[C@H](O)CC2CCCC2)C2CC2)cc1 ZINC000190460369 375512506 /nfs/dbraw/zinc/51/25/06/375512506.db2.gz PBVLQZMFAFSTSM-LJQANCHMSA-N 0 3 298.430 3.464 20 30 CGEDHN C=C(C)CN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496872090 375561789 /nfs/dbraw/zinc/56/17/89/375561789.db2.gz CPRJUJKLQGNAAB-CYBMUJFWSA-N 0 3 274.364 3.212 20 30 CGEDHN CCS[C@H]1CC[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1 ZINC000191433773 375627485 /nfs/dbraw/zinc/62/74/85/375627485.db2.gz XRIAQIJDYXEHIL-HIFRSBDPSA-N 0 3 277.437 3.003 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000498922305 375628507 /nfs/dbraw/zinc/62/85/07/375628507.db2.gz KZRJTIONPFRZGP-JKSUJKDBSA-N 0 3 299.462 3.402 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000191290056 375605489 /nfs/dbraw/zinc/60/54/89/375605489.db2.gz PBRNCNPORKGKKD-MRXNPFEDSA-N 0 3 298.346 3.046 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCCC[C@@H]2CC)CCC1 ZINC000191779796 375662626 /nfs/dbraw/zinc/66/26/26/375662626.db2.gz QAJXRVGDTOTXAQ-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC000192041985 375691995 /nfs/dbraw/zinc/69/19/95/375691995.db2.gz QCVPMGNPARYFOU-BBRMVZONSA-N 0 3 258.340 3.462 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc3ncccc3c2)C1 ZINC000336364872 375782111 /nfs/dbraw/zinc/78/21/11/375782111.db2.gz KIABQRNCBFVSDD-SWLSCSKDSA-N 0 3 251.333 3.017 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000530039156 375937586 /nfs/dbraw/zinc/93/75/86/375937586.db2.gz ZUYPBUYSAHIJAN-BXUZGUMPSA-N 0 3 274.339 3.080 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](CSC)C1 ZINC000336833123 375994770 /nfs/dbraw/zinc/99/47/70/375994770.db2.gz NWIJVOJKHCOYSD-CQSZACIVSA-N 0 3 290.432 3.142 20 30 CGEDHN C=CCN(CCOc1ccc(Cl)cc1)C1CC1 ZINC000536747582 376130140 /nfs/dbraw/zinc/13/01/40/376130140.db2.gz DOZCRISKAWIMIJ-UHFFFAOYSA-N 0 3 251.757 3.369 20 30 CGEDHN C=C(CC)CN(CC)Cc1ccc(OC)cc1OC ZINC000538001999 376217021 /nfs/dbraw/zinc/21/70/21/376217021.db2.gz HCYMHQXBJQTPAC-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337500798 376225822 /nfs/dbraw/zinc/22/58/22/376225822.db2.gz LMHQUACAAFIMRE-FVQBIDKESA-N 0 3 257.381 3.390 20 30 CGEDHN C=C(C)C[N@@H+](C)Cc1ccc([O-])c2nc(C)ccc12 ZINC000338284422 376313273 /nfs/dbraw/zinc/31/32/73/376313273.db2.gz ASASRAVOGBSMDG-UHFFFAOYSA-N 0 3 256.349 3.257 20 30 CGEDHN C=C(C)C[N@H+](C)Cc1ccc([O-])c2nc(C)ccc12 ZINC000338284422 376313278 /nfs/dbraw/zinc/31/32/78/376313278.db2.gz ASASRAVOGBSMDG-UHFFFAOYSA-N 0 3 256.349 3.257 20 30 CGEDHN C=CCc1cc(CN2C[C@@H](C)C[C@H]2C)cc(OC)c1O ZINC000539837888 376339790 /nfs/dbraw/zinc/33/97/90/376339790.db2.gz BHXONIXLPVXZCZ-QWHCGFSZSA-N 0 3 275.392 3.360 20 30 CGEDHN C=CCC[C@H](O)CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000539887700 376345729 /nfs/dbraw/zinc/34/57/29/376345729.db2.gz UUMBJNVNGQXWTL-IOASZLSFSA-N 0 3 277.383 3.460 20 30 CGEDHN COC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000540975907 376409745 /nfs/dbraw/zinc/40/97/45/376409745.db2.gz MZZDQAZMUULEDZ-XHDPSFHLSA-N 0 3 264.344 3.019 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000227272448 376386038 /nfs/dbraw/zinc/38/60/38/376386038.db2.gz BMZFQCMWVJJSAZ-GOEBONIOSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCCCN1CCO[C@H](CCc2ccccc2)C1 ZINC000541699895 376473750 /nfs/dbraw/zinc/47/37/50/376473750.db2.gz OEODZLOILHSKAA-QGZVFWFLSA-N 0 3 259.393 3.286 20 30 CGEDHN C=CCOCCN(C)Cc1ccccc1C(F)(F)F ZINC000338890679 376562611 /nfs/dbraw/zinc/56/26/11/376562611.db2.gz UTKQITUQNXDJFN-UHFFFAOYSA-N 0 3 273.298 3.340 20 30 CGEDHN CN(Cc1ccc(CC#N)cc1)Cc1cccc(O)c1 ZINC000543207829 376619364 /nfs/dbraw/zinc/61/93/64/376619364.db2.gz USEAIJVAIKXPBZ-UHFFFAOYSA-N 0 3 266.344 3.090 20 30 CGEDHN C[C@H](CNc1cccc(F)c1C#N)N1CCCC[C@@H]1C ZINC000339003901 376624545 /nfs/dbraw/zinc/62/45/45/376624545.db2.gz SKRLQUJCPKVFSW-QWHCGFSZSA-N 0 3 275.371 3.372 20 30 CGEDHN COc1cc(CNCc2ccccc2C)ccc1C#N ZINC000234928435 376624935 /nfs/dbraw/zinc/62/49/35/376624935.db2.gz IFLDLXYPSMSIRE-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN COc1ccc(CN2CC[C@H](CC3CC3)C2)cc1C#N ZINC000339684160 376808663 /nfs/dbraw/zinc/80/86/63/376808663.db2.gz QJONXHBTKKMQKK-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN CC#CCN(C)[C@H](C)c1cccc(Br)c1 ZINC000555752011 376860316 /nfs/dbraw/zinc/86/03/16/376860316.db2.gz XDOSWQWIQNORDQ-LLVKDONJSA-N 0 3 266.182 3.465 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000245685938 376878514 /nfs/dbraw/zinc/87/85/14/376878514.db2.gz ANORJMUSISCSGF-WMZOPIPTSA-N 0 3 287.403 3.252 20 30 CGEDHN N#CCC[C@H](C#N)CNC[C@@H]1C[C@H]1C1CCCCC1 ZINC000557265039 376926841 /nfs/dbraw/zinc/92/68/41/376926841.db2.gz LZTVMEOWQJFAMO-KBMXLJTQSA-N 0 3 259.397 3.236 20 30 CGEDHN C[C@H](CNc1snc(Cl)c1C#N)CN1CCCCC1 ZINC000264789846 190135049 /nfs/dbraw/zinc/13/50/49/190135049.db2.gz AIRKIIRNWDJPRZ-SNVBAGLBSA-N 0 3 298.843 3.202 20 30 CGEDHN CC[C@H](C)N(CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000561926229 377253710 /nfs/dbraw/zinc/25/37/10/377253710.db2.gz YNIUSGLTTFXNOD-ZDUSSCGKSA-N 0 3 299.336 3.150 20 30 CGEDHN N#CC1(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000562629460 377338948 /nfs/dbraw/zinc/33/89/48/377338948.db2.gz QGELXILYZGZESO-HOTGVXAUSA-N 0 3 254.377 3.291 20 30 CGEDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000563354932 377445554 /nfs/dbraw/zinc/44/55/54/377445554.db2.gz RQLBWZBZIVQVDU-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCNc1nc2c(cc1C#N)CCC2 ZINC000341111321 377400657 /nfs/dbraw/zinc/40/06/57/377400657.db2.gz WRSXNPDAUVBMDN-KBPBESRZSA-N 0 3 298.434 3.117 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCCC[C@H]1O ZINC000569931765 377530492 /nfs/dbraw/zinc/53/04/92/377530492.db2.gz KMYNUSLMVBHFIX-ZSYWTGECSA-N 0 3 298.430 3.309 20 30 CGEDHN C=CCCCCN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000572333869 377547629 /nfs/dbraw/zinc/54/76/29/377547629.db2.gz KSHNYVYJAOIDSW-HRCADAONSA-N 0 3 267.413 3.001 20 30 CGEDHN C=CC[C@H](CC)NCc1nccn1Cc1ccccc1 ZINC000341464288 377574655 /nfs/dbraw/zinc/57/46/55/377574655.db2.gz OMOPHVYLVXPRFW-INIZCTEOSA-N 0 3 269.392 3.376 20 30 CGEDHN CCOc1ccccc1CNCCc1cccc(C#N)c1 ZINC000341475139 377581197 /nfs/dbraw/zinc/58/11/97/377581197.db2.gz WJBBPXPTDFMOHX-UHFFFAOYSA-N 0 3 280.371 3.289 20 30 CGEDHN C=C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000342480941 377650942 /nfs/dbraw/zinc/65/09/42/377650942.db2.gz WOKAUTBOGAKPCS-SFHVURJKSA-N 0 3 298.430 3.220 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000253089174 377674094 /nfs/dbraw/zinc/67/40/94/377674094.db2.gz COAYNZSHMBDPIL-HZSPNIEDSA-N 0 3 272.392 3.433 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000342696752 377740983 /nfs/dbraw/zinc/74/09/83/377740983.db2.gz RNBOWOXYWXKENS-UHFFFAOYSA-N 0 3 275.355 3.256 20 30 CGEDHN CC(C)(NCc1cnc2ccc(C#N)cn12)c1cccs1 ZINC000342737407 377764275 /nfs/dbraw/zinc/76/42/75/377764275.db2.gz ZRDKJAABJLUIHV-UHFFFAOYSA-N 0 3 296.399 3.292 20 30 CGEDHN C=CCCN(C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000342743085 377769305 /nfs/dbraw/zinc/76/93/05/377769305.db2.gz YGXFHSAAUYCPFW-CQSZACIVSA-N 0 3 296.773 3.092 20 30 CGEDHN N#Cc1ccc(CNCCc2c(F)cccc2F)c(F)c1 ZINC000343580926 378027585 /nfs/dbraw/zinc/02/75/85/378027585.db2.gz XKSXAKGROVJOLS-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN CC1CCC(N(Cc2ccc(C#N)cn2)C2CC2)CC1 ZINC000579124399 378133140 /nfs/dbraw/zinc/13/31/40/378133140.db2.gz JRQKEBMJCKCLMD-UHFFFAOYSA-N 0 3 269.392 3.496 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000268676451 378089453 /nfs/dbraw/zinc/08/94/53/378089453.db2.gz VYRDKNTWMXTWAM-HOTGVXAUSA-N 0 3 263.356 3.290 20 30 CGEDHN C=C(CNCc1cnc2ccc(C)cn12)c1ccccc1 ZINC000343807582 378097646 /nfs/dbraw/zinc/09/76/46/378097646.db2.gz LSADBJHSMWMLBM-UHFFFAOYSA-N 0 3 277.371 3.446 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)[C@H]1CCC[C@@H]1C ZINC000579727339 378188525 /nfs/dbraw/zinc/18/85/25/378188525.db2.gz GLJUENBOLHDYCG-WFASDCNBSA-N 0 3 278.421 3.257 20 30 CGEDHN C=C(C)CN1CCC(N[C@H](C)c2csc(C)n2)CC1 ZINC000269446573 378223770 /nfs/dbraw/zinc/22/37/70/378223770.db2.gz UVNFWILZCDCBDJ-GFCCVEGCSA-N 0 3 279.453 3.143 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CCC1 ZINC000344776319 378179217 /nfs/dbraw/zinc/17/92/17/378179217.db2.gz PLTNJBVZHOCHKC-HNNXBMFYSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)CC2(C)CCCC2)CC1 ZINC000345213671 378225332 /nfs/dbraw/zinc/22/53/32/378225332.db2.gz DDCRRJIXRGERLM-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C[C@]1(c2ccc(F)cc2)CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000580837972 378262777 /nfs/dbraw/zinc/26/27/77/378262777.db2.gz ODMMDVXJQHKEFP-XKQJLSEDSA-N 0 3 272.367 3.481 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000271238921 378485617 /nfs/dbraw/zinc/48/56/17/378485617.db2.gz XNEGWKKIRFDGHM-GPNVZSQUSA-N 0 3 290.407 3.225 20 30 CGEDHN Cc1ccncc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000271443416 378494161 /nfs/dbraw/zinc/49/41/61/378494161.db2.gz GZTQDMGOCITOHC-CQSZACIVSA-N 0 3 281.359 3.143 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1ccc(C#N)c(F)c1 ZINC000271927632 378519750 /nfs/dbraw/zinc/51/97/50/378519750.db2.gz FLNCLJXCSIBXAD-MQIPJXDCSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@H](NC[C@@H](O)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271931790 378520551 /nfs/dbraw/zinc/52/05/51/378520551.db2.gz ILUMZFBLMBNJCH-YVEFUNNKSA-N 0 3 290.382 3.289 20 30 CGEDHN C[C@H](NCCN1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964910 378532229 /nfs/dbraw/zinc/53/22/29/378532229.db2.gz VCHQAHFBMQOCCT-KGLIPLIRSA-N 0 3 289.398 3.222 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](N)CCC(C)C ZINC000637888804 378615613 /nfs/dbraw/zinc/61/56/13/378615613.db2.gz HJOJFXMUHRTTAL-CQSZACIVSA-N 0 3 280.437 3.026 20 30 CGEDHN C=CC1CCN(Cc2ccccc2OCCCCO)CC1 ZINC000638072566 378687389 /nfs/dbraw/zinc/68/73/89/378687389.db2.gz OHOFIFQGIVZHDQ-UHFFFAOYSA-N 0 3 289.419 3.236 20 30 CGEDHN COc1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000266173748 190237134 /nfs/dbraw/zinc/23/71/34/190237134.db2.gz DFGDUJCXVYMPMY-CYBMUJFWSA-N 0 3 296.370 3.426 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1ccc(F)cc1F ZINC000348031671 378759860 /nfs/dbraw/zinc/75/98/60/378759860.db2.gz KDOCXBQZYXMQQZ-NSHDSACASA-N 0 3 255.308 3.208 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCCCO1 ZINC000275112827 378937643 /nfs/dbraw/zinc/93/76/43/378937643.db2.gz WQOKJXDQKOOQRI-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCC[C@@H](CC)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278556197 194041708 /nfs/dbraw/zinc/04/17/08/194041708.db2.gz ALKANAGWYBQSNI-LLVKDONJSA-N 0 3 288.351 3.306 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000347088704 218117954 /nfs/dbraw/zinc/11/79/54/218117954.db2.gz ODYWADLISQAGBM-KBXCAEBGSA-N 0 3 293.370 3.168 20 30 CGEDHN C=CCN1CCC(Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000266447906 190257864 /nfs/dbraw/zinc/25/78/64/190257864.db2.gz WYLCLRRBQSEUCB-UHFFFAOYSA-N 0 3 285.313 3.163 20 30 CGEDHN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC(C)C ZINC000266543062 190265293 /nfs/dbraw/zinc/26/52/93/190265293.db2.gz QXOCQTBEZFHBQX-UHFFFAOYSA-N 0 3 298.390 3.476 20 30 CGEDHN CCn1nccc1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000278936290 194219833 /nfs/dbraw/zinc/21/98/33/194219833.db2.gz TZUSWGUFVZBCIO-UHFFFAOYSA-N 0 3 294.402 3.154 20 30 CGEDHN N#Cc1cccc(OCCN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278951876 194226477 /nfs/dbraw/zinc/22/64/77/194226477.db2.gz YVQZWTUPEXECDV-ZDUSSCGKSA-N 0 3 298.308 3.211 20 30 CGEDHN N#Cc1cccc(OCCN2CC[C@H](c3ccco3)C2)c1 ZINC000374003813 379360031 /nfs/dbraw/zinc/36/00/31/379360031.db2.gz RZQSUOMCNCSLTD-HNNXBMFYSA-N 0 3 282.343 3.020 20 30 CGEDHN CC(C)Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349828743 379406326 /nfs/dbraw/zinc/40/63/26/379406326.db2.gz MUAFNDZZNXHWST-LSDHHAIUSA-N 0 3 258.365 3.256 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000349830725 379408690 /nfs/dbraw/zinc/40/86/90/379408690.db2.gz RABGZULKWZIJCA-ZYHUDNBSSA-N 0 3 284.281 3.367 20 30 CGEDHN N#CCCCNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000350350852 379539768 /nfs/dbraw/zinc/53/97/68/379539768.db2.gz GVMQCGFIWJOARI-UHFFFAOYSA-N 0 3 290.260 3.160 20 30 CGEDHN C=C(C)CCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639916890 379642487 /nfs/dbraw/zinc/64/24/87/379642487.db2.gz CGKKXKVZALAIBN-AWEZNQCLSA-N 0 3 271.763 3.458 20 30 CGEDHN C=CCSCCN[C@H](c1cncc(F)c1)C1CC1 ZINC000281549916 379839097 /nfs/dbraw/zinc/83/90/97/379839097.db2.gz JEXYKQDTTCKIEX-AWEZNQCLSA-N 0 3 266.385 3.181 20 30 CGEDHN C=C[C@@H](CO)NCc1ccc(Sc2ccccc2)cc1 ZINC000352452210 379820391 /nfs/dbraw/zinc/82/03/91/379820391.db2.gz CISBCTMXPPTWGR-HNNXBMFYSA-N 0 3 285.412 3.474 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCC2(F)F)cc1F ZINC000404261814 379979556 /nfs/dbraw/zinc/97/95/56/379979556.db2.gz RVFBDNVVAHTHJP-LBPRGKRZSA-N 0 3 268.282 3.222 20 30 CGEDHN CCCN(CCN1CCCC1)Cc1ccc(F)cc1C#N ZINC000352870378 380012637 /nfs/dbraw/zinc/01/26/37/380012637.db2.gz QJBSHWSGPBTOJR-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000352917386 380037396 /nfs/dbraw/zinc/03/73/96/380037396.db2.gz WYLMOOVHUDBVPX-ZNMIVQPWSA-N 0 3 280.412 3.170 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cnc2n[nH]c(C)c2c1 ZINC000352932889 380047557 /nfs/dbraw/zinc/04/75/57/380047557.db2.gz RNTVMVQFZUISFD-UHFFFAOYSA-N 0 3 296.374 3.090 20 30 CGEDHN COc1cccc(NC2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000411295616 380139415 /nfs/dbraw/zinc/13/94/15/380139415.db2.gz DUYSTWKGVOGHBA-AWEZNQCLSA-N 0 3 287.407 3.264 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000268195239 190385270 /nfs/dbraw/zinc/38/52/70/190385270.db2.gz XGZNOXIJOPOOAZ-UHFFFAOYSA-N 0 3 272.392 3.455 20 30 CGEDHN CSCc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000353948553 380251448 /nfs/dbraw/zinc/25/14/48/380251448.db2.gz VOWVKIWSIMWBMG-HUUCEWRRSA-N 0 3 260.406 3.331 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCC[C@@H](CO)C1)c1ccco1 ZINC000414338165 380214292 /nfs/dbraw/zinc/21/42/92/380214292.db2.gz LJXDEBHMFAAGKQ-KFWWJZLASA-N 0 3 263.381 3.428 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc(C)sc1C ZINC000643901812 380394091 /nfs/dbraw/zinc/39/40/91/380394091.db2.gz RNGQGYCMMIWKDZ-XDTLVQLUSA-N 0 3 266.410 3.002 20 30 CGEDHN CC[C@@H]1CCCCN1CCNc1nc2c(cc1C#N)CCC2 ZINC000354605780 380502486 /nfs/dbraw/zinc/50/24/86/380502486.db2.gz CPIWEATYKWHBHL-MRXNPFEDSA-N 0 3 298.434 3.118 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415667500 380512706 /nfs/dbraw/zinc/51/27/06/380512706.db2.gz AQZKZZSXUCRKGB-KGLIPLIRSA-N 0 3 287.407 3.019 20 30 CGEDHN C=C(C)CN(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418494143 380722687 /nfs/dbraw/zinc/72/26/87/380722687.db2.gz XNAFLOKVMOPWTL-QGZVFWFLSA-N 0 3 297.402 3.057 20 30 CGEDHN C=CC[C@@H](C)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418500886 380724204 /nfs/dbraw/zinc/72/42/04/380724204.db2.gz PECRDMWCOYYJNZ-DYVFJYSZSA-N 0 3 297.402 3.103 20 30 CGEDHN CC(C(=O)Nc1cc(C#N)ccc1NC1CC1)C(F)(F)F ZINC000355657138 380739103 /nfs/dbraw/zinc/73/91/03/380739103.db2.gz UJPSKHUNTRYCGE-QMMMGPOBSA-N 0 3 297.280 3.269 20 30 CGEDHN CO[C@H](CC(C)C)CN(C)Cc1cccc(C#N)c1 ZINC000419184695 380776697 /nfs/dbraw/zinc/77/66/97/380776697.db2.gz DCWJOQBYHOFZPX-MRXNPFEDSA-N 0 3 260.381 3.051 20 30 CGEDHN CCN(CCOc1ccccc1C)[C@H]1CC[C@H](C#N)C1 ZINC000420970762 380866880 /nfs/dbraw/zinc/86/68/80/380866880.db2.gz GPBYIFGXTUQNPG-HOTGVXAUSA-N 0 3 272.392 3.388 20 30 CGEDHN CCN(CCOc1ccccc1C)[C@H]1CC[C@@H](C#N)C1 ZINC000420970759 380867486 /nfs/dbraw/zinc/86/74/86/380867486.db2.gz GPBYIFGXTUQNPG-CVEARBPZSA-N 0 3 272.392 3.388 20 30 CGEDHN C=CCN(CCC(=O)Nc1ccccc1Cl)C1CC1 ZINC000357530684 381197020 /nfs/dbraw/zinc/19/70/20/381197020.db2.gz MSAYQTSDMSMELR-UHFFFAOYSA-N 0 3 278.783 3.319 20 30 CGEDHN C=CCSCCN[C@H](Cc1ccccn1)c1cccnc1 ZINC000358024615 381288277 /nfs/dbraw/zinc/28/82/77/381288277.db2.gz REVCDBMDPMTVJH-QGZVFWFLSA-N 0 3 299.443 3.269 20 30 CGEDHN CCCN1CCC[C@H]1CNc1nc(C)c(C#N)cc1Cl ZINC000359966676 381390903 /nfs/dbraw/zinc/39/09/03/381390903.db2.gz ASCVXHDEPJTCQZ-ZDUSSCGKSA-N 0 3 292.814 3.201 20 30 CGEDHN CC#CCCNCc1ccccc1OCc1ccncc1 ZINC000360960655 381635816 /nfs/dbraw/zinc/63/58/16/381635816.db2.gz ZOERJOKLRZCWQX-UHFFFAOYSA-N 0 3 280.371 3.164 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)CC1(COC)CCC1 ZINC000361287476 381678196 /nfs/dbraw/zinc/67/81/96/381678196.db2.gz KJXCZFWIJFITFF-UHFFFAOYSA-N 0 3 284.403 3.363 20 30 CGEDHN Cn1cc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000361551914 381798465 /nfs/dbraw/zinc/79/84/65/381798465.db2.gz XTEBYPHOJASZMW-HOCLYGCPSA-N 0 3 257.381 3.051 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)[C@H]1CC[C@H](C)C1 ZINC000361639414 381848466 /nfs/dbraw/zinc/84/84/66/381848466.db2.gz ONGFPHLPPGVROM-STQMWFEESA-N 0 3 278.421 3.257 20 30 CGEDHN C=CCN(CCOC)Cc1c(C)oc2ccccc21 ZINC000361646929 381858348 /nfs/dbraw/zinc/85/83/48/381858348.db2.gz JEWZQTVSWSNPLK-UHFFFAOYSA-N 0 3 259.349 3.376 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@](C)(CC)C1 ZINC000362383774 381967401 /nfs/dbraw/zinc/96/74/01/381967401.db2.gz BNOSSPBWUBROAP-NVXWUHKLSA-N 0 3 278.440 3.088 20 30 CGEDHN COC[C@@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000368660286 382380404 /nfs/dbraw/zinc/38/04/04/382380404.db2.gz RIIAHKMQRUEDCO-MRXNPFEDSA-N 0 3 291.822 3.440 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)C(C)C(F)(F)F ZINC000335332529 208211454 /nfs/dbraw/zinc/21/14/54/208211454.db2.gz DMEUWKNYJCPYSA-MRVPVSSYSA-N 0 3 256.227 3.004 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]2[C@@H]2CCCOC2)ccc1F ZINC000335379118 208319577 /nfs/dbraw/zinc/31/95/77/208319577.db2.gz JNLKLNGNNGDTEN-PBHICJAKSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)s1 ZINC000289241238 197271911 /nfs/dbraw/zinc/27/19/11/197271911.db2.gz DSRDUALPBOQSHK-CHWSQXEVSA-N 0 3 278.421 3.135 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H]1CCSc2c(F)cccc21 ZINC000321051752 542439547 /nfs/dbraw/zinc/43/95/47/542439547.db2.gz VXHLDPTXVCTUSG-SMDDNHRTSA-N 0 3 281.396 3.279 20 30 CGEDHN C=CC1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000111257113 262258109 /nfs/dbraw/zinc/25/81/09/262258109.db2.gz GGFPGZOEFGIFRY-UHFFFAOYSA-N 0 3 261.365 3.102 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000189563206 129990982 /nfs/dbraw/zinc/99/09/82/129990982.db2.gz AHMYTFWVWCQRJB-HNNXBMFYSA-N 0 3 259.349 3.034 20 30 CGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000190739839 130142327 /nfs/dbraw/zinc/14/23/27/130142327.db2.gz DZKXITWEUFKSRS-QGZVFWFLSA-N 0 3 290.407 3.168 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191925308 130329581 /nfs/dbraw/zinc/32/95/81/130329581.db2.gz ZAXFQSMSQIQCGP-MOPGFXCFSA-N 0 3 277.367 3.158 20 30 CGEDHN C=CCOc1ccc(CN2CCC(COC)CC2)cc1 ZINC000093103436 392235533 /nfs/dbraw/zinc/23/55/33/392235533.db2.gz FKYCUHGHQLXQQH-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN COCCN(Cc1ccc(C)o1)CC(C)(C)CCC#N ZINC000093707322 392238996 /nfs/dbraw/zinc/23/89/96/392238996.db2.gz RTAINZRFVWZOTO-UHFFFAOYSA-N 0 3 278.396 3.366 20 30 CGEDHN C=CCN(CCSCC)Cc1cccc(C#N)c1 ZINC000078031277 392217293 /nfs/dbraw/zinc/21/72/93/392217293.db2.gz SJCHLBAFKWFQRJ-UHFFFAOYSA-N 0 3 260.406 3.299 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121206545 392411368 /nfs/dbraw/zinc/41/13/68/392411368.db2.gz RXPIYJIWLIULQA-INIZCTEOSA-N 0 3 297.402 3.354 20 30 CGEDHN C#C[C@H](C)N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000289525475 392422439 /nfs/dbraw/zinc/42/24/39/392422439.db2.gz PPHMMHALBIXTOR-QWRGUYRKSA-N 0 3 298.308 3.034 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000289657239 392427854 /nfs/dbraw/zinc/42/78/54/392427854.db2.gz CNMVVZBCXPJEQM-GOSISDBHSA-N 0 3 262.356 3.400 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000289710388 392429670 /nfs/dbraw/zinc/42/96/70/392429670.db2.gz JBOFQRCVPXIOPB-DZGCQCFKSA-N 0 3 292.398 3.014 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000289693458 392430291 /nfs/dbraw/zinc/43/02/91/392430291.db2.gz IFFWRSSBUMTSAV-JSGCOSHPSA-N 0 3 263.381 3.061 20 30 CGEDHN C=C[C@H](CO)N[C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000289918188 392436857 /nfs/dbraw/zinc/43/68/57/392436857.db2.gz UTZWKTNFJIRLKB-GIPNMCIBSA-N 0 3 296.208 3.134 20 30 CGEDHN Cc1cnn([C@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000290030027 392439748 /nfs/dbraw/zinc/43/97/48/392439748.db2.gz VSPWCIQHOKJTNU-YOEHRIQHSA-N 0 3 280.375 3.071 20 30 CGEDHN C=CCCCCCCNCc1ccnn1CCCOC ZINC000290181563 392442698 /nfs/dbraw/zinc/44/26/98/392442698.db2.gz RZLDENALCSFJFZ-UHFFFAOYSA-N 0 3 279.428 3.146 20 30 CGEDHN C#Cc1ccc(CNC[C@H](c2cccs2)N(C)C)cc1 ZINC000290288705 392444095 /nfs/dbraw/zinc/44/40/95/392444095.db2.gz GTYFOBWTLRGFFU-MRXNPFEDSA-N 0 3 284.428 3.122 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1c(C)nn(C)c1C ZINC000155003504 392538643 /nfs/dbraw/zinc/53/86/43/392538643.db2.gz XXXLMLSQCZBGIL-UHFFFAOYSA-N 0 3 283.419 3.268 20 30 CGEDHN CCN(Cc1ccc(C#N)s1)[C@H]1CCOC(C)(C)C1 ZINC000291621911 392471150 /nfs/dbraw/zinc/47/11/50/392471150.db2.gz RSNCUCREGBKAJD-LBPRGKRZSA-N 0 3 278.421 3.399 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000301449061 392591438 /nfs/dbraw/zinc/59/14/38/392591438.db2.gz RXJMKTWJUSTROC-UHFFFAOYSA-N 0 3 289.379 3.356 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000374179507 392671328 /nfs/dbraw/zinc/67/13/28/392671328.db2.gz UCKDDDLNXYSNOR-YXCITZCRSA-N 0 3 257.805 3.000 20 30 CGEDHN C#CCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000374431663 392678325 /nfs/dbraw/zinc/67/83/25/392678325.db2.gz YRCBSDPCEVACIB-MRXNPFEDSA-N 0 3 277.795 3.109 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cccc(Br)c2)C1 ZINC000335620178 392803411 /nfs/dbraw/zinc/80/34/11/392803411.db2.gz OHTDVVFFDFPOLZ-GWCFXTLKSA-N 0 3 279.181 3.231 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC([C@H]2CCCO2)CC1 ZINC000189235144 392804686 /nfs/dbraw/zinc/80/46/86/392804686.db2.gz FBKUNMQQWCKPCA-GOSISDBHSA-N 0 3 284.403 3.258 20 30 CGEDHN C=CCOCCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000338995343 392939021 /nfs/dbraw/zinc/93/90/21/392939021.db2.gz FYEVYWWPWHXQRW-MRXNPFEDSA-N 0 3 277.433 3.288 20 30 CGEDHN C=CCOCCN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000339019132 392941765 /nfs/dbraw/zinc/94/17/65/392941765.db2.gz RZKZDTYGRQKAQE-UHFFFAOYSA-N 0 3 289.297 3.220 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCCC3)O2)cc1F ZINC000404097427 392962811 /nfs/dbraw/zinc/96/28/11/392962811.db2.gz BLPOZSPPAUBZQS-OAHLLOKOSA-N 0 3 288.366 3.279 20 30 CGEDHN CC(C)N(CCC1(C#N)CCCCC1)[C@@H]1CCOC1 ZINC000411750093 392986227 /nfs/dbraw/zinc/98/62/27/392986227.db2.gz XNKQEBIJSMDNJR-OAHLLOKOSA-N 0 3 264.413 3.350 20 30 CGEDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000533426370 392996729 /nfs/dbraw/zinc/99/67/29/392996729.db2.gz JFTIUAQBYIBYFC-PBHICJAKSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C)CCOC1CCN(CCC(C)(C)C#N)CC1 ZINC000345712106 393065055 /nfs/dbraw/zinc/06/50/55/393065055.db2.gz ODUWNOJJGPQAOV-UHFFFAOYSA-N 0 3 266.429 3.453 20 30 CGEDHN C=CCN(CC=C)Cc1cc(-n2ccnc2)cs1 ZINC000346225132 393079993 /nfs/dbraw/zinc/07/99/93/393079993.db2.gz VVBYDQPLWYCXHA-UHFFFAOYSA-N 0 3 259.378 3.108 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCc2ccccc2C1 ZINC000346216503 393080110 /nfs/dbraw/zinc/08/01/10/393080110.db2.gz SLDMYWPULOSOIO-INIZCTEOSA-N 0 3 298.430 3.024 20 30 CGEDHN CC(C)(O)C(C)(C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000271649885 393253357 /nfs/dbraw/zinc/25/33/57/393253357.db2.gz RUCWKLSZXLCZOD-UHFFFAOYSA-N 0 3 299.336 3.196 20 30 CGEDHN C[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000271616983 393253370 /nfs/dbraw/zinc/25/33/70/393253370.db2.gz BHXVLAKXTZCJBM-WFASDCNBSA-N 0 3 297.320 3.214 20 30 CGEDHN CC1(C)C[C@@H](N[C@H](CCC#N)c2ccccc2)CO1 ZINC000417948761 393357312 /nfs/dbraw/zinc/35/73/12/393357312.db2.gz JIAUIGFQOQDOMP-HUUCEWRRSA-N 0 3 258.365 3.189 20 30 CGEDHN C=C(C)CN(C)Cc1cncc(CN(C)CC(=C)C)c1 ZINC000649416290 393416864 /nfs/dbraw/zinc/41/68/64/393416864.db2.gz DWLUQNIOFGMVHX-UHFFFAOYSA-N 0 3 273.424 3.097 20 30 CGEDHN CC(C)CC[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000486783623 393448294 /nfs/dbraw/zinc/44/82/94/393448294.db2.gz ZKTLKACLFBQERK-QGZVFWFLSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000359306904 393543943 /nfs/dbraw/zinc/54/39/43/393543943.db2.gz NDZOFFGBTIHQLM-KBPBESRZSA-N 0 3 270.376 3.163 20 30 CGEDHN Cc1ccccc1[C@H]([C@@H](C)NCc1ccc(C#N)o1)N(C)C ZINC000443008757 393740421 /nfs/dbraw/zinc/74/04/21/393740421.db2.gz HDWCJMLLROSHLG-KDOFPFPSSA-N 0 3 297.402 3.241 20 30 CGEDHN COc1cc(CN2CC3(CCC3)C[C@H]2C)ccc1C#N ZINC000443072585 393742712 /nfs/dbraw/zinc/74/27/12/393742712.db2.gz VABJDJGOGVDKHD-CYBMUJFWSA-N 0 3 270.376 3.331 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)cccc1OC ZINC000435747184 393715387 /nfs/dbraw/zinc/71/53/87/393715387.db2.gz FIDUNRSPGGTTOP-BLLLJJGKSA-N 0 3 295.810 3.419 20 30 CGEDHN Cc1cc(CNCCOCc2ccccc2)ccc1C#N ZINC000443999975 393782376 /nfs/dbraw/zinc/78/23/76/393782376.db2.gz VMAQURAXPCLSDU-UHFFFAOYSA-N 0 3 280.371 3.173 20 30 CGEDHN COc1cc(C)cc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000444005947 393783308 /nfs/dbraw/zinc/78/33/08/393783308.db2.gz ZNTBZSSRZYCBJO-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN CC[C@H](C)[C@@H](CNCc1ccc(C#N)c(C)c1)OC ZINC000449403866 393879931 /nfs/dbraw/zinc/87/99/31/393879931.db2.gz RTQUXPNSIWIADU-BLLLJJGKSA-N 0 3 260.381 3.017 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)s1 ZINC000449537746 393888576 /nfs/dbraw/zinc/88/85/76/393888576.db2.gz JWERVWPLLPUZKP-GJZGRUSLSA-N 0 3 258.390 3.240 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCCC(C)(C)C1 ZINC000446066213 393844287 /nfs/dbraw/zinc/84/42/87/393844287.db2.gz JJOMFIQMJBDOIU-AWEZNQCLSA-N 0 3 299.418 3.397 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](C(C)C)C1 ZINC000501235236 393849559 /nfs/dbraw/zinc/84/95/59/393849559.db2.gz CIOQMWUWCDEEBO-AWEZNQCLSA-N 0 3 258.365 3.045 20 30 CGEDHN CCC(C)(C)OCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000453407863 394236722 /nfs/dbraw/zinc/23/67/22/394236722.db2.gz MRNLITTYRRVOOH-MRXNPFEDSA-N 0 3 272.392 3.340 20 30 CGEDHN C=CCC(C)(C)CNC(=O)Nc1cccc2c1CCNC2 ZINC000667749327 542924714 /nfs/dbraw/zinc/92/47/14/542924714.db2.gz SNOMFCXILUIFKA-UHFFFAOYSA-N 0 3 287.407 3.056 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C3CC3)cc2)CC1 ZINC000668369735 543007548 /nfs/dbraw/zinc/00/75/48/543007548.db2.gz CWRJAHXDZIZYQU-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN CCC#C[C@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694680 543118949 /nfs/dbraw/zinc/11/89/49/543118949.db2.gz DCHVLGXFJFFXTC-JKSUJKDBSA-N 0 3 285.435 3.201 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCSC2)cc1Cl ZINC000619748612 397714772 /nfs/dbraw/zinc/71/47/72/397714772.db2.gz JUQPYAPVHAFFOU-GFCCVEGCSA-N 0 3 266.797 3.197 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@H](C3CC3)C2)cc1 ZINC000677057014 543428550 /nfs/dbraw/zinc/42/85/50/543428550.db2.gz XHSBXIQSPWSCMR-INIZCTEOSA-N 0 3 257.352 3.299 20 30 CGEDHN CCC#C[C@H](C)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000677480243 543451050 /nfs/dbraw/zinc/45/10/50/543451050.db2.gz WBAARPJYVCANID-HNNXBMFYSA-N 0 3 299.418 3.074 20 30 CGEDHN COCC#CCN(CCc1ccccc1F)C1CCCC1 ZINC000677818286 543467156 /nfs/dbraw/zinc/46/71/56/543467156.db2.gz IPAIKFVLSGVDCI-UHFFFAOYSA-N 0 3 289.394 3.263 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000678744208 543552010 /nfs/dbraw/zinc/55/20/10/543552010.db2.gz ZYXHWLCOXHZLOJ-KGLIPLIRSA-N 0 3 275.392 3.465 20 30 CGEDHN COCC#CCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000678893743 543569665 /nfs/dbraw/zinc/56/96/65/543569665.db2.gz RUKKWZWMGQFFKX-OAHLLOKOSA-N 0 3 263.768 3.031 20 30 CGEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000266521392 286797509 /nfs/dbraw/zinc/79/75/09/286797509.db2.gz ZMVKUGYIYXBWLM-STQMWFEESA-N 0 3 288.391 3.329 20 30 CGEDHN CC1(C)CCCN1Cc1cn2ccccc2c1C#N ZINC000077382410 287039241 /nfs/dbraw/zinc/03/92/41/287039241.db2.gz UFQJGICHCWTRPD-UHFFFAOYSA-N 0 3 253.349 3.185 20 30 CGEDHN Cc1ccccc1OCCNCc1cccc(C#N)c1 ZINC000077507031 165123210 /nfs/dbraw/zinc/12/32/10/165123210.db2.gz CZTSWDBCSGZPIS-UHFFFAOYSA-N 0 3 266.344 3.035 20 30 CGEDHN COc1ccc(CN2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000087833107 165189615 /nfs/dbraw/zinc/18/96/15/165189615.db2.gz CDZDJGICQCQOLN-BETUJISGSA-N 0 3 258.365 3.045 20 30 CGEDHN COCCN(CCCc1ccccc1)Cc1ccc(C#N)o1 ZINC000092541764 165303454 /nfs/dbraw/zinc/30/34/54/165303454.db2.gz JYZHBTZSHAPFQP-UHFFFAOYSA-N 0 3 298.386 3.232 20 30 CGEDHN CN1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000037267687 173077399 /nfs/dbraw/zinc/07/73/99/173077399.db2.gz LZSUTOPEIFPVCW-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN CCC1(CO)CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000127820698 287296843 /nfs/dbraw/zinc/29/68/43/287296843.db2.gz MYRAJLQDRNWQIQ-CQSZACIVSA-N 0 3 272.392 3.104 20 30 CGEDHN C[C@@H](Cc1cccs1)NCC#Cc1ccccc1 ZINC000071269885 176103458 /nfs/dbraw/zinc/10/34/58/176103458.db2.gz HBMVNQLKELESJU-AWEZNQCLSA-N 0 3 255.386 3.320 20 30 CGEDHN C=CCOCCNCc1ccc(OC(F)F)c(Cl)c1 ZINC000679485222 543640371 /nfs/dbraw/zinc/64/03/71/543640371.db2.gz BOKFVKNEWVOKAN-UHFFFAOYSA-N 0 3 291.725 3.234 20 30 CGEDHN C=CCOCCN[C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000679576082 543648358 /nfs/dbraw/zinc/64/83/58/543648358.db2.gz HKQXZWQVECENDT-HNNXBMFYSA-N 0 3 290.363 3.023 20 30 CGEDHN COCC#CCN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000680401837 543708505 /nfs/dbraw/zinc/70/85/05/543708505.db2.gz HURFLNPXDPCELH-STQMWFEESA-N 0 3 299.336 3.437 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1oc2ccccc2c1C ZINC000680412654 543709088 /nfs/dbraw/zinc/70/90/88/543709088.db2.gz YGLKNWHOVXFFEW-TZMCWYRMSA-N 0 3 259.349 3.329 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000680418558 543710150 /nfs/dbraw/zinc/71/01/50/543710150.db2.gz ZOUORIRIYHKWSX-WFASDCNBSA-N 0 3 289.375 3.337 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000681099176 543765357 /nfs/dbraw/zinc/76/53/57/543765357.db2.gz FTFQQQSTBRCKQX-KRWDZBQOSA-N 0 3 293.357 3.381 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000681099177 543765724 /nfs/dbraw/zinc/76/57/24/543765724.db2.gz FTFQQQSTBRCKQX-QGZVFWFLSA-N 0 3 293.357 3.381 20 30 CGEDHN N#Cc1cccc(CNCCOc2ccccc2Cl)c1 ZINC000130653685 287360388 /nfs/dbraw/zinc/36/03/88/287360388.db2.gz TVGNFKVYEKYKIX-UHFFFAOYSA-N 0 3 286.762 3.380 20 30 CGEDHN C=CCCN(C)Cc1cnc(-c2ccccc2)nc1 ZINC000682434920 543845091 /nfs/dbraw/zinc/84/50/91/543845091.db2.gz CIFAEJGVMWABNX-UHFFFAOYSA-N 0 3 253.349 3.152 20 30 CGEDHN N#CCCCCN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347347024 226121976 /nfs/dbraw/zinc/12/19/76/226121976.db2.gz QWBAMGLJEWDIAH-GJZGRUSLSA-N 0 3 290.432 3.181 20 30 CGEDHN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(C)C#N ZINC000347394312 226145065 /nfs/dbraw/zinc/14/50/65/226145065.db2.gz XYKOKOCCMFWYLS-DZGCQCFKSA-N 0 3 288.391 3.448 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000336575907 227129149 /nfs/dbraw/zinc/12/91/49/227129149.db2.gz WLIDRHBYXLPHFA-GWCFXTLKSA-N 0 3 294.807 3.193 20 30 CGEDHN C=CCCC(C)(C)NC(=O)Nc1ccccc1CNC ZINC000659020035 418956618 /nfs/dbraw/zinc/95/66/18/418956618.db2.gz RZYNHVCCGKTHAY-UHFFFAOYSA-N 0 3 275.396 3.272 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000654315587 418958312 /nfs/dbraw/zinc/95/83/12/418958312.db2.gz SXIIDOGELSRDAV-CVEARBPZSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CCCCCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000659330347 418976405 /nfs/dbraw/zinc/97/64/05/418976405.db2.gz QUXRCQTVBMJSTG-MRXNPFEDSA-N 0 3 272.392 3.084 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000661387589 419256997 /nfs/dbraw/zinc/25/69/97/419256997.db2.gz YXTIZWDXMAJTEC-PBHICJAKSA-N 0 3 284.403 3.228 20 30 CGEDHN C=C(C)CN1CCC(NCc2ccc(F)c(F)c2F)CC1 ZINC000657353543 419257278 /nfs/dbraw/zinc/25/72/78/419257278.db2.gz RIEASAAYFCAHDS-UHFFFAOYSA-N 0 3 298.352 3.234 20 30 CGEDHN C=CCCC[C@H](C)NCc1cc(C(F)(F)F)nn1C ZINC000657430154 419276849 /nfs/dbraw/zinc/27/68/49/419276849.db2.gz YQHSQLXZCULJOS-JTQLQIEISA-N 0 3 275.318 3.273 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc2n(n1)CCCC2 ZINC000657530782 419299599 /nfs/dbraw/zinc/29/95/99/419299599.db2.gz TWMWTWUHAMQTBM-PBHICJAKSA-N 0 3 273.424 3.444 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(C(C)C)nn1 ZINC000657529826 419299705 /nfs/dbraw/zinc/29/97/05/419299705.db2.gz IXEZNFJQTRVTNO-DZGCQCFKSA-N 0 3 262.401 3.084 20 30 CGEDHN C=CCCNCc1cn(-c2cccc(C)c2)nc1C ZINC000657583433 419309464 /nfs/dbraw/zinc/30/94/64/419309464.db2.gz KRDQASYGADNQAN-UHFFFAOYSA-N 0 3 255.365 3.155 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661872364 419309968 /nfs/dbraw/zinc/30/99/68/419309968.db2.gz APLLMMSHRHDBKE-MOPGFXCFSA-N 0 3 283.415 3.319 20 30 CGEDHN C=CCC1(NCc2nn(CC)c3ccccc23)CCOCC1 ZINC000657632879 419317293 /nfs/dbraw/zinc/31/72/93/419317293.db2.gz AJGCJSPMTPZMIK-UHFFFAOYSA-N 0 3 299.418 3.271 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nccc(OC)c2F)C1 ZINC000657674572 419327037 /nfs/dbraw/zinc/32/70/37/419327037.db2.gz RSVMWUVZMOFLCP-NWDGAFQWSA-N 0 3 264.344 3.064 20 30 CGEDHN C=CCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000662052842 419329658 /nfs/dbraw/zinc/32/96/58/419329658.db2.gz UTBYPJOGCVTECR-LLVKDONJSA-N 0 3 260.164 3.193 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)CC1CCCCCC1 ZINC000331875534 228134586 /nfs/dbraw/zinc/13/45/86/228134586.db2.gz MRSAIWBMTBIOND-GFCCVEGCSA-N 0 3 250.386 3.401 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(-c2cnn(C)c2C)no1 ZINC000662091359 419334339 /nfs/dbraw/zinc/33/43/39/419334339.db2.gz XFTQLLFYMPLKCU-OKILXGFUSA-N 0 3 298.390 3.067 20 30 CGEDHN C=C[C@H](CO)NC/C(C)=C\c1ccccc1C(F)(F)F ZINC000657791350 419354117 /nfs/dbraw/zinc/35/41/17/419354117.db2.gz QVOQHNVCRKILRO-BIRHUZIMSA-N 0 3 285.309 3.245 20 30 CGEDHN C=C[C@H](CO)NC/C(C)=C/c1ccccc1C(F)(F)F ZINC000657791351 419353493 /nfs/dbraw/zinc/35/34/93/419353493.db2.gz QVOQHNVCRKILRO-RUNBWSAHSA-N 0 3 285.309 3.245 20 30 CGEDHN C=C(CN[C@H]1CCCn2nccc21)c1ccccc1 ZINC000657856041 419390000 /nfs/dbraw/zinc/39/00/00/419390000.db2.gz JTWCUJPYRFYJCY-HNNXBMFYSA-N 0 3 253.349 3.021 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cncc(Br)c1 ZINC000657926936 419446024 /nfs/dbraw/zinc/44/60/24/419446024.db2.gz NYUNYLNSKKUWDI-NSHDSACASA-N 0 3 299.212 3.087 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662629997 419471486 /nfs/dbraw/zinc/47/14/86/419471486.db2.gz GMGZJCADWZXELR-PBHICJAKSA-N 0 3 284.403 3.036 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncccc1N(C)C ZINC000658018879 419496182 /nfs/dbraw/zinc/49/61/82/419496182.db2.gz HSRICZVKVZWUAH-CABCVRRESA-N 0 3 273.424 3.372 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C(C)(C)C)[nH]1 ZINC000658035184 419511380 /nfs/dbraw/zinc/51/13/80/419511380.db2.gz LZUUGECBAIWERR-OLZOCXBDSA-N 0 3 276.428 3.327 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000370667765 260100182 /nfs/dbraw/zinc/10/01/82/260100182.db2.gz PSNFSCHZFCCIHL-CQSZACIVSA-N 0 3 274.339 3.323 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCCC(C)(F)F)cc1 ZINC000297453273 260126728 /nfs/dbraw/zinc/12/67/28/260126728.db2.gz XESFAZRDDRDARD-LBPRGKRZSA-N 0 3 267.319 3.395 20 30 CGEDHN CC1(C#N)CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000449089877 260209618 /nfs/dbraw/zinc/20/96/18/260209618.db2.gz LOPGOASCFIKYSY-UHFFFAOYSA-N 0 3 273.336 3.157 20 30 CGEDHN N#CCCCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000071122673 260272203 /nfs/dbraw/zinc/27/22/03/260272203.db2.gz KQKHIZNWSZEXLN-CQSZACIVSA-N 0 3 278.421 3.423 20 30 CGEDHN Cc1nc2c(s1)[C@@H](N(C)CCCSCC#N)CCC2 ZINC000072518073 260276559 /nfs/dbraw/zinc/27/65/59/260276559.db2.gz VWSDTLCQXRQQDA-ZDUSSCGKSA-N 0 3 295.477 3.408 20 30 CGEDHN CN(CCC#N)c1ccc(CNCc2ccccc2)cc1 ZINC000072658594 260277778 /nfs/dbraw/zinc/27/77/78/260277778.db2.gz YVRVWUVEVKMGRC-UHFFFAOYSA-N 0 3 279.387 3.326 20 30 CGEDHN C[C@H](CCC#N)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000518212935 260357629 /nfs/dbraw/zinc/35/76/29/260357629.db2.gz RHTMHYRBNNPYJL-GFCCVEGCSA-N 0 3 293.798 3.270 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cc(F)cc(F)c1 ZINC000090451312 260359967 /nfs/dbraw/zinc/35/99/67/260359967.db2.gz AGWWDIQVCAIUAO-LLVKDONJSA-N 0 3 255.308 3.208 20 30 CGEDHN Cc1nc(C)c(CNC2CC(C#N)(c3ccccc3)C2)s1 ZINC000127406552 260362812 /nfs/dbraw/zinc/36/28/12/260362812.db2.gz JCVZMLMFSVJNLX-UHFFFAOYSA-N 0 3 297.427 3.474 20 30 CGEDHN C=C(C)CCNCc1conc1Cc1ccccc1 ZINC000449472157 260629959 /nfs/dbraw/zinc/62/99/59/260629959.db2.gz FBSWOMKWSNDPEY-UHFFFAOYSA-N 0 3 256.349 3.321 20 30 CGEDHN CC(C#N)C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000361091437 261160233 /nfs/dbraw/zinc/16/02/33/261160233.db2.gz OTXBWQJPOLMAAB-LLVKDONJSA-N 0 3 284.281 3.127 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104700765 261299152 /nfs/dbraw/zinc/29/91/52/261299152.db2.gz FIKLHYNVXVZKQA-IBGZPJMESA-N 0 3 298.430 3.318 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCOC(C)C)c([O-])c1 ZINC000182166645 261927191 /nfs/dbraw/zinc/92/71/91/261927191.db2.gz LHEHKDCTVJFNPQ-SFQUDFHCSA-N 0 3 278.396 3.082 20 30 CGEDHN CCc1nc([C@@H](C)NCCCSCC#N)cs1 ZINC000184677431 262025547 /nfs/dbraw/zinc/02/55/47/262025547.db2.gz NWFRYWZDOLNTNF-SNVBAGLBSA-N 0 3 269.439 3.003 20 30 CGEDHN CCOCc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185774860 262069480 /nfs/dbraw/zinc/06/94/80/262069480.db2.gz LQIHAIRSSKXIOZ-IAGOWNOFSA-N 0 3 272.392 3.395 20 30 CGEDHN C=CCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000364058254 262128787 /nfs/dbraw/zinc/12/87/87/262128787.db2.gz WBNOJWYVXGCRSN-CYBMUJFWSA-N 0 3 287.338 3.241 20 30 CGEDHN CO[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@H]1C ZINC000189275576 262170352 /nfs/dbraw/zinc/17/03/52/262170352.db2.gz DEXPWRHBGUIXHO-PBHICJAKSA-N 0 3 286.419 3.345 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3ncccc3c2)C1 ZINC000192976668 262213338 /nfs/dbraw/zinc/21/33/38/262213338.db2.gz XUVIYEPXMMPAJC-CZUORRHYSA-N 0 3 265.360 3.407 20 30 CGEDHN Cn1cc(CN[C@H]2CCC[C@@H](C#N)C2)c(-c2ccccc2)n1 ZINC000193278099 262219837 /nfs/dbraw/zinc/21/98/37/262219837.db2.gz JGIQQXHBNXVOLY-PBHICJAKSA-N 0 3 294.402 3.259 20 30 CGEDHN Cc1nc(C)c([C@H](C)NCC(C)(C)CC#N)s1 ZINC000414162200 262819167 /nfs/dbraw/zinc/81/91/67/262819167.db2.gz GSRNGHSIDSMOTC-VIFPVBQESA-N 0 3 251.399 3.350 20 30 CGEDHN CC(C)(CC#N)CN[C@H](Cc1ccccn1)c1cccnc1 ZINC000414165678 262820109 /nfs/dbraw/zinc/82/01/09/262820109.db2.gz MHEYUZLCVBDPKK-QGZVFWFLSA-N 0 3 294.402 3.290 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000276261471 263035335 /nfs/dbraw/zinc/03/53/35/263035335.db2.gz BDLQNOVXYVXOOW-ZIAGYGMSSA-N 0 3 268.364 3.215 20 30 CGEDHN CC(C)(C#N)CCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000277056269 263039453 /nfs/dbraw/zinc/03/94/53/263039453.db2.gz MNXOYAYKPHYARE-HUUCEWRRSA-N 0 3 294.345 3.324 20 30 CGEDHN N#Cc1cccc(C2(N[C@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000278712518 263049827 /nfs/dbraw/zinc/04/98/27/263049827.db2.gz LQFLXXLNLMJEKF-HOCLYGCPSA-N 0 3 265.360 3.219 20 30 CGEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340192933 263087519 /nfs/dbraw/zinc/08/75/19/263087519.db2.gz UODAVKLPXZEFRT-VXGBXAGGSA-N 0 3 292.345 3.094 20 30 CGEDHN N#Cc1cccc(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000292986797 263136832 /nfs/dbraw/zinc/13/68/32/263136832.db2.gz FTDUEPBLVWGFIM-HOTGVXAUSA-N 0 3 295.386 3.094 20 30 CGEDHN Cc1cnc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)s1 ZINC000293682095 263146820 /nfs/dbraw/zinc/14/68/20/263146820.db2.gz APGNBRRRWVMVIQ-TZMCWYRMSA-N 0 3 275.421 3.323 20 30 CGEDHN CCOc1ccccc1[C@H](CC)NCCOCCC#N ZINC000293680071 263146825 /nfs/dbraw/zinc/14/68/25/263146825.db2.gz AXYUCBUQKPSDCR-HNNXBMFYSA-N 0 3 276.380 3.056 20 30 CGEDHN C=C(CNCc1cccc2c1OCCO2)c1ccccc1 ZINC000340436927 263147011 /nfs/dbraw/zinc/14/70/11/263147011.db2.gz IDZOYVBDADLYLG-UHFFFAOYSA-N 0 3 281.355 3.261 20 30 CGEDHN CC(C)(NCCOCCC#N)c1cccc(Cl)c1 ZINC000293866028 263151471 /nfs/dbraw/zinc/15/14/71/263151471.db2.gz SFAFZPNPCIGWQR-UHFFFAOYSA-N 0 3 266.772 3.095 20 30 CGEDHN N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296300322 263189558 /nfs/dbraw/zinc/18/95/58/263189558.db2.gz FXEHXJWHEBMGLQ-FPMFFAJLSA-N 0 3 256.349 3.051 20 30 CGEDHN CC(C)(C#N)CCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296858049 263197562 /nfs/dbraw/zinc/19/75/62/263197562.db2.gz TZKQGHXJAJWNRH-UHFFFAOYSA-N 0 3 299.418 3.080 20 30 CGEDHN C[C@@]12CCN(Cc3ccc(OCC#N)cc3)C[C@@H]1C2(F)F ZINC000298295607 263217435 /nfs/dbraw/zinc/21/74/35/263217435.db2.gz PIVHXYGLDFPFHQ-LSDHHAIUSA-N 0 3 292.329 3.066 20 30 CGEDHN COc1ccc(OC)c([C@H](C)N[C@@H](C)CCC#N)c1 ZINC000299732899 263254085 /nfs/dbraw/zinc/25/40/85/263254085.db2.gz YBHMKRYUYDLUQG-RYUDHWBXSA-N 0 3 262.353 3.047 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1c(C)n[nH]c1C ZINC000120058942 263280153 /nfs/dbraw/zinc/28/01/53/263280153.db2.gz KFGALZAAYYGOER-UHFFFAOYSA-N 0 3 269.392 3.257 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](CC)c1ccccc1 ZINC000341219349 263327813 /nfs/dbraw/zinc/32/78/13/263327813.db2.gz KYJNPXUSGMUUJI-NVXWUHKLSA-N 0 3 286.419 3.316 20 30 CGEDHN CCOc1ccc([C@@H](C)NCCCC#N)cc1OC ZINC000341478236 263338693 /nfs/dbraw/zinc/33/86/93/263338693.db2.gz XEJFVTJUFHVJOQ-GFCCVEGCSA-N 0 3 262.353 3.048 20 30 CGEDHN COCC1(C#N)CCN([C@@H](C)c2ccccc2C)CC1 ZINC000341988926 263381281 /nfs/dbraw/zinc/38/12/81/263381281.db2.gz KMNBAKVBIGMEDE-HNNXBMFYSA-N 0 3 272.392 3.308 20 30 CGEDHN C[C@@H]1CCC[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000331210397 264162317 /nfs/dbraw/zinc/16/23/17/264162317.db2.gz XRMLOWMWGQEARX-DJIMGWMZSA-N 0 3 284.403 3.454 20 30 CGEDHN C=CCC[C@@H](NCC(=O)Nc1cc(C)no1)c1ccccc1 ZINC000180035284 264390134 /nfs/dbraw/zinc/39/01/34/264390134.db2.gz PGOAQEHEIXWBLT-OAHLLOKOSA-N 0 3 299.374 3.219 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000035256620 270027490 /nfs/dbraw/zinc/02/74/90/270027490.db2.gz XCNWLKZSAOZFNK-GFCCVEGCSA-N 0 3 280.327 3.138 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(F)cc1C(F)(F)F ZINC000320725484 265026463 /nfs/dbraw/zinc/02/64/63/265026463.db2.gz JHFIJGCSHQXKOE-GFCCVEGCSA-N 0 3 291.288 3.261 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)CCC(C)(C)C#N)C1(C)C ZINC000345709981 265097672 /nfs/dbraw/zinc/09/76/72/265097672.db2.gz CGQBMEOJWRGURM-STQMWFEESA-N 0 3 252.402 3.062 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)CCC(C)(C)C#N)C12CCC2 ZINC000345706630 265097690 /nfs/dbraw/zinc/09/76/90/265097690.db2.gz GAODRWLQMYNEFW-KGLIPLIRSA-N 0 3 264.413 3.206 20 30 CGEDHN C=CCOCCCN(CC=C)Cc1cccs1 ZINC000347966433 265139195 /nfs/dbraw/zinc/13/91/95/265139195.db2.gz MWOCHUHIBIVKTG-UHFFFAOYSA-N 0 3 251.395 3.329 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)CCCC)CC1 ZINC000519270383 265381561 /nfs/dbraw/zinc/38/15/61/265381561.db2.gz KJSPXKBCVUQWTJ-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cn1)[C@H]1CCC[C@H](C)C1 ZINC000521062880 270100057 /nfs/dbraw/zinc/10/00/57/270100057.db2.gz BWIZPGYNRHPSSL-YDHLFZDLSA-N 0 3 257.381 3.258 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)[C@H](C)CCC#N ZINC000297937674 266050676 /nfs/dbraw/zinc/05/06/76/266050676.db2.gz RSVRONXGRNPQTI-CQSZACIVSA-N 0 3 255.365 3.463 20 30 CGEDHN C=CCOc1cccc(CN2CCN(C)C[C@@H]2C(C)C)c1 ZINC000357215848 266266788 /nfs/dbraw/zinc/26/67/88/266266788.db2.gz QKNSRGJXPADVQE-GOSISDBHSA-N 0 3 288.435 3.023 20 30 CGEDHN N#Cc1csc(CNCC(C2CCC2)C2CCC2)n1 ZINC000527734535 270133136 /nfs/dbraw/zinc/13/31/36/270133136.db2.gz KDVVKGSZSMBXNG-UHFFFAOYSA-N 0 3 275.421 3.321 20 30 CGEDHN CC(C)(C#N)CCCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000368070366 267144045 /nfs/dbraw/zinc/14/40/45/267144045.db2.gz CPSPWWVMSSHDKS-KBPBESRZSA-N 0 3 264.413 3.206 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000368566798 267186180 /nfs/dbraw/zinc/18/61/80/267186180.db2.gz JXMSQNBYLQQGJB-GOSISDBHSA-N 0 3 279.387 3.047 20 30 CGEDHN COc1ccc(C[C@H]2CCCN(CCCC#N)C2)cc1 ZINC000369620167 267256049 /nfs/dbraw/zinc/25/60/49/267256049.db2.gz VVUIUVBGFPDDTR-MRXNPFEDSA-N 0 3 272.392 3.253 20 30 CGEDHN CC(C)(C)OC(=O)C1CCC(NCC2(C#N)CCC2)CC1 ZINC000418142732 267363439 /nfs/dbraw/zinc/36/34/39/267363439.db2.gz NPCJYHOPGVUJKO-UHFFFAOYSA-N 0 3 292.423 3.170 20 30 CGEDHN C[C@@H]1[C@H](NCC2(C#N)CCC2)C[C@H]1c1ccccc1 ZINC000418137586 267371736 /nfs/dbraw/zinc/37/17/36/267371736.db2.gz DZTXJGPRPITFNU-NUEKZKHPSA-N 0 3 254.377 3.462 20 30 CGEDHN CC(C)(C)[C@H]1C[C@H](NCC2(C#N)CCC2)CS1 ZINC000418138174 267372297 /nfs/dbraw/zinc/37/22/97/267372297.db2.gz GBZKKBWSGHRMLZ-NWDGAFQWSA-N 0 3 252.427 3.190 20 30 CGEDHN CCOc1ccccc1CCNCc1ccc(C#N)cc1F ZINC000532986948 270220837 /nfs/dbraw/zinc/22/08/37/270220837.db2.gz DILPHFQEOPMSGA-UHFFFAOYSA-N 0 3 298.361 3.428 20 30 CGEDHN Cc1cc(C)c(C#N)c(NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000248004386 274683397 /nfs/dbraw/zinc/68/33/97/274683397.db2.gz OFNQFPHJPVDROD-KRWDZBQOSA-N 0 3 294.402 3.285 20 30 CGEDHN C=C1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000264487378 275420910 /nfs/dbraw/zinc/42/09/10/275420910.db2.gz RSYTZGZJJGSBEU-AWEZNQCLSA-N 0 3 296.208 3.135 20 30 CGEDHN COC(C)(C)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352829221 277458877 /nfs/dbraw/zinc/45/88/77/277458877.db2.gz FVMYKJCDVGYMRQ-UHFFFAOYSA-N 0 3 286.297 3.092 20 30 CGEDHN C[C@@H](NCc1ccccc1N(C)C)c1cccc(C#N)c1 ZINC000266632333 278358878 /nfs/dbraw/zinc/35/88/78/278358878.db2.gz SMADKATWHKQKDI-CQSZACIVSA-N 0 3 279.387 3.475 20 30 CGEDHN Cc1c(CN[C@H]2CCCCc3cc(C#N)ccc32)cnn1C ZINC000336412630 280227757 /nfs/dbraw/zinc/22/77/57/280227757.db2.gz OSFVQHJMBPLKDO-SFHVURJKSA-N 0 3 294.402 3.158 20 30 CGEDHN COC(=O)c1cccc(CN[C@@H]2CCCC[C@@H]2C)c1C#N ZINC000548114972 288990761 /nfs/dbraw/zinc/99/07/61/288990761.db2.gz SWFIXEBXSTWEPH-BLLLJJGKSA-N 0 3 286.375 3.013 20 30 CGEDHN CCCCO[C@H]1C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554366085 289275996 /nfs/dbraw/zinc/27/59/96/289275996.db2.gz XFEQHMSSXFRQAN-HOTGVXAUSA-N 0 3 287.407 3.027 20 30 CGEDHN Cc1cc(OCCOc2ccccc2C#N)c(C)c(C)n1 ZINC000555121520 289328861 /nfs/dbraw/zinc/32/88/61/289328861.db2.gz GOMGLQILAHXRPC-UHFFFAOYSA-N 0 3 282.343 3.336 20 30 CGEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000560425651 289589975 /nfs/dbraw/zinc/58/99/75/289589975.db2.gz IKMNILLVHJVTDR-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN N#CCCCN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000346845454 303150690 /nfs/dbraw/zinc/15/06/90/303150690.db2.gz ZUMOTLAMYBKVBE-ZDUSSCGKSA-N 0 3 264.756 3.447 20 30 CGEDHN C=C(C)[C@H](NC[C@@H](C)COC)c1ccc(F)c(F)c1 ZINC000188558111 327755060 /nfs/dbraw/zinc/75/50/60/327755060.db2.gz NUXKKKDWYNIMQJ-ABAIWWIYSA-N 0 3 269.335 3.454 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccc(Cl)cc2)C1 ZINC000185754293 327844479 /nfs/dbraw/zinc/84/44/79/327844479.db2.gz FHLPTIFWLFHOER-TZMCWYRMSA-N 0 3 278.783 3.391 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000411767269 328099202 /nfs/dbraw/zinc/09/92/02/328099202.db2.gz NNGADVIRXSITHW-CHWSQXEVSA-N 0 3 286.354 3.354 20 30 CGEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(-n2cccn2)c(F)c1 ZINC000411767271 328099314 /nfs/dbraw/zinc/09/93/14/328099314.db2.gz NNGADVIRXSITHW-QWHCGFSZSA-N 0 3 286.354 3.354 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(F)cc2F)C1 ZINC000571492501 328125168 /nfs/dbraw/zinc/12/51/68/328125168.db2.gz ILGGYJICVOSNAA-GWCFXTLKSA-N 0 3 250.292 3.137 20 30 CGEDHN N#CCCCN1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268398175 328184816 /nfs/dbraw/zinc/18/48/16/328184816.db2.gz TWJJHDHTXPEWAM-GJZGRUSLSA-N 0 3 276.380 3.251 20 30 CGEDHN COc1ccc(Cl)cc1[C@H](C)NCCCC#N ZINC000273175084 328204433 /nfs/dbraw/zinc/20/44/33/328204433.db2.gz CSIMUBWFANSILR-JTQLQIEISA-N 0 3 252.745 3.303 20 30 CGEDHN Cc1cccnc1[C@H](N[C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000278640999 328229085 /nfs/dbraw/zinc/22/90/85/328229085.db2.gz PBKBCEAUWQRXMT-QLFBSQMISA-N 0 3 257.381 3.369 20 30 CGEDHN N#Cc1cccc(CN2CCN(C3CCCCC3)CC2)c1 ZINC000163105560 321891379 /nfs/dbraw/zinc/89/13/79/321891379.db2.gz BLAJTIVMQMJYFD-UHFFFAOYSA-N 0 3 283.419 3.009 20 30 CGEDHN CCC1(CC)CCN(Cc2ccc(C#N)cn2)CC1 ZINC000563353196 321991815 /nfs/dbraw/zinc/99/18/15/321991815.db2.gz HPLRQODUESUALI-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986914 322186868 /nfs/dbraw/zinc/18/68/68/322186868.db2.gz IYYQYRMIWFFDLK-FZMZJTMJSA-N 0 3 273.336 3.229 20 30 CGEDHN C=CCCCCCNCc1nccn1CC(F)(F)F ZINC000583510641 328589436 /nfs/dbraw/zinc/58/94/36/328589436.db2.gz YDJKPIAYJOQFEZ-UHFFFAOYSA-N 0 3 275.318 3.281 20 30 CGEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccncc1 ZINC000568761269 327014725 /nfs/dbraw/zinc/01/47/25/327014725.db2.gz NNTMYXNXIPZERQ-QGZVFWFLSA-N 0 3 265.360 3.389 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cnn(C2CCCC2)c1 ZINC000558619023 327108779 /nfs/dbraw/zinc/10/87/79/327108779.db2.gz DSWGNZWTHUOBPJ-ZDUSSCGKSA-N 0 3 272.396 3.343 20 30 CGEDHN COc1ccc2c(c1)CCCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000559070807 327140101 /nfs/dbraw/zinc/14/01/01/327140101.db2.gz GCQFWECGYUOFPJ-CJNGLKHVSA-N 0 3 270.376 3.136 20 30 CGEDHN CCn1c2ccccc2nc1CNCC1CCC(C#N)CC1 ZINC000559750960 327259562 /nfs/dbraw/zinc/25/95/62/327259562.db2.gz NVPDNWMGYPGPGE-UHFFFAOYSA-N 0 3 296.418 3.476 20 30 CGEDHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#N)cn1 ZINC000578334748 327317530 /nfs/dbraw/zinc/31/75/30/327317530.db2.gz WUONBJYBYXIUHX-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H]2CCO)cc1Cl ZINC000428459679 327380544 /nfs/dbraw/zinc/38/05/44/327380544.db2.gz NEXSJMTYAIYGIO-AWEZNQCLSA-N 0 3 295.810 3.252 20 30 CGEDHN C=CCCCCCN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000150902962 327397068 /nfs/dbraw/zinc/39/70/68/327397068.db2.gz UCRJLZWNTCPBPP-WBVHZDCISA-N 0 3 293.455 3.108 20 30 CGEDHN C=C(C)CN(C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000181255951 329228193 /nfs/dbraw/zinc/22/81/93/329228193.db2.gz RMLCIUFDIVZYPM-UHFFFAOYSA-N 0 3 258.369 3.020 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccccc1C(F)(F)F ZINC000321536154 329372544 /nfs/dbraw/zinc/37/25/44/329372544.db2.gz ZLMDTPOEDOFXOC-GFCCVEGCSA-N 0 3 273.298 3.122 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000321537064 329372575 /nfs/dbraw/zinc/37/25/75/329372575.db2.gz ZMYXUBSKGVIVOF-ZBFHGGJFSA-N 0 3 292.379 3.353 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000191366076 329413347 /nfs/dbraw/zinc/41/33/47/329413347.db2.gz HUVGKOBNBXVFCL-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN CCC1(CC)[C@@H](NCC#Cc2ccccc2)C[C@@H]1OC ZINC000429298690 329415605 /nfs/dbraw/zinc/41/56/05/329415605.db2.gz FPOVFVNPDZJZNU-IRXDYDNUSA-N 0 3 271.404 3.221 20 30 CGEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C)S1 ZINC000398990700 329447092 /nfs/dbraw/zinc/44/70/92/329447092.db2.gz LDNVAAUIUOKHLQ-STQMWFEESA-N 0 3 260.406 3.078 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000419165568 329709918 /nfs/dbraw/zinc/70/99/18/329709918.db2.gz BXLIKNKXMJDQEV-MRXNPFEDSA-N 0 3 286.419 3.198 20 30 CGEDHN C=CCN1CCC(Nc2nc3ccccc3nc2C)CC1 ZINC000266351606 330063896 /nfs/dbraw/zinc/06/38/96/330063896.db2.gz JQIHWPUYUUSGEO-UHFFFAOYSA-N 0 3 282.391 3.001 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCCN2C)CCCCC1 ZINC000421713286 330069463 /nfs/dbraw/zinc/06/94/63/330069463.db2.gz SJJSXLZCBDKBMT-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCOc1cccc(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000271193285 330077956 /nfs/dbraw/zinc/07/79/56/330077956.db2.gz NLEPIZFJXAQPPI-UHFFFAOYSA-N 0 3 297.402 3.354 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421848614 330095538 /nfs/dbraw/zinc/09/55/38/330095538.db2.gz AQAYPZRWPCAFOS-WCQYABFASA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)CCNCc1cc(OCC)c(OC)cc1F ZINC000527714460 330276317 /nfs/dbraw/zinc/27/63/17/330276317.db2.gz ZGMLSJKPUZBFJU-UHFFFAOYSA-N 0 3 267.344 3.289 20 30 CGEDHN N#CCCC[C@H](N)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000424165829 330309226 /nfs/dbraw/zinc/30/92/26/330309226.db2.gz FKJHMNKBWSTKJN-HNNXBMFYSA-N 0 3 291.439 3.017 20 30 CGEDHN C=CCn1cc(CNC2CC(C)(C)CC(C)(C)C2)nn1 ZINC000424168927 330310503 /nfs/dbraw/zinc/31/05/03/330310503.db2.gz GXDZGVRLPGKASO-UHFFFAOYSA-N 0 3 276.428 3.159 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ncc(C(C)(C)C)s1 ZINC000424171740 330311901 /nfs/dbraw/zinc/31/19/01/330311901.db2.gz LCAGFECSGFDWSY-RYUDHWBXSA-N 0 3 280.437 3.121 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2CCC(C)C)nn1 ZINC000424290950 330334771 /nfs/dbraw/zinc/33/47/71/330334771.db2.gz CUMHXUATEYRERJ-GOEBONIOSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCCCC23CCCC3)nn1 ZINC000424297044 330336266 /nfs/dbraw/zinc/33/62/66/330336266.db2.gz PRDKTYTVXWHOOC-HNNXBMFYSA-N 0 3 274.412 3.057 20 30 CGEDHN Cc1c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1C(C)C ZINC000424327619 330341577 /nfs/dbraw/zinc/34/15/77/330341577.db2.gz NBJAJJHPQMWVKY-KWCYVHTRSA-N 0 3 260.385 3.115 20 30 CGEDHN Oc1cccc2c1C[C@H](NCC#Cc1ccccc1Cl)C2 ZINC000429322817 330543910 /nfs/dbraw/zinc/54/39/10/330543910.db2.gz OYEINCBYLIDEDE-OAHLLOKOSA-N 0 3 297.785 3.154 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(OCC(F)F)c2)C1 ZINC000442863582 330788216 /nfs/dbraw/zinc/78/82/16/330788216.db2.gz CYUSXDFSAZABRH-WCQYABFASA-N 0 3 280.318 3.112 20 30 CGEDHN CC(C)c1ccccc1OCCN[C@H]1CC[C@H](C#N)C1 ZINC000442870509 330788926 /nfs/dbraw/zinc/78/89/26/330788926.db2.gz DFZVZVWZOBGJBJ-GJZGRUSLSA-N 0 3 272.392 3.471 20 30 CGEDHN C=CCCCC[C@H](C)NCCS(=O)(=O)c1ccccc1 ZINC000449092053 330898462 /nfs/dbraw/zinc/89/84/62/330898462.db2.gz LAQHOENZOHMONI-HNNXBMFYSA-N 0 3 295.448 3.185 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cscc1C(F)(F)F ZINC000449700544 330944769 /nfs/dbraw/zinc/94/47/69/330944769.db2.gz UEXCMORWSIBMCW-JTQLQIEISA-N 0 3 279.327 3.184 20 30 CGEDHN N#CCCCN[C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453195913 331100074 /nfs/dbraw/zinc/10/00/74/331100074.db2.gz QECXBTVYRHWUTA-CVEARBPZSA-N 0 3 292.810 3.323 20 30 CGEDHN C=CCC[C@@H](NC[C@H]1CCCC[C@@H]1O)c1ccco1 ZINC000453342858 331119428 /nfs/dbraw/zinc/11/94/28/331119428.db2.gz IBGURFKWSSLEAG-KFWWJZLASA-N 0 3 263.381 3.428 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OCCC)cc1 ZINC000453343344 331119584 /nfs/dbraw/zinc/11/95/84/331119584.db2.gz DZTJFENFESUALY-XKQJLSEDSA-N 0 3 275.392 3.470 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccccc1OC ZINC000453355543 331121582 /nfs/dbraw/zinc/12/15/82/331121582.db2.gz LQJKTCHENBRNGU-ZNMIVQPWSA-N 0 3 261.365 3.079 20 30 CGEDHN N#CCCN(CC1CC1)CC1CCC(F)(F)CC1 ZINC000459346157 331277284 /nfs/dbraw/zinc/27/72/84/331277284.db2.gz BOLLRFMIPBGITF-UHFFFAOYSA-N 0 3 256.340 3.438 20 30 CGEDHN C=C[C@@H](C)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459437713 331281428 /nfs/dbraw/zinc/28/14/28/331281428.db2.gz HBMFELJGKVTVDU-SLBVQIDZSA-N 0 3 277.433 3.489 20 30 CGEDHN CCO[C@@H]1C[C@H](NCCCC#N)[C@H]1Sc1ccccc1 ZINC000459480614 331284118 /nfs/dbraw/zinc/28/41/18/331284118.db2.gz MGRJSPUFAMDQDU-ARFHVFGLSA-N 0 3 290.432 3.218 20 30 CGEDHN CC#CCCN1CCc2cc(OCCC)ccc2C1 ZINC000462356823 331320279 /nfs/dbraw/zinc/32/02/79/331320279.db2.gz RSNJYOKVDXTWEQ-UHFFFAOYSA-N 0 3 257.377 3.247 20 30 CGEDHN C=CC[C@@H](CO)CNCc1c(Cl)cccc1CC ZINC000473989294 331561755 /nfs/dbraw/zinc/56/17/55/331561755.db2.gz LEAHSKOQZMIURC-GFCCVEGCSA-N 0 3 267.800 3.177 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc(OC)cc1 ZINC000489477808 332055429 /nfs/dbraw/zinc/05/54/29/332055429.db2.gz MMFWAYJVSCIIJI-OAHLLOKOSA-N 0 3 288.391 3.064 20 30 CGEDHN C#C[C@H](CC)NC/C(C)=C\c1ccccc1COC ZINC000491125996 332153738 /nfs/dbraw/zinc/15/37/38/332153738.db2.gz JNSZDCBFFNJSTH-VWILAXROSA-N 0 3 257.377 3.238 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@H](C3CC3)C2)c1 ZINC000491161175 332158873 /nfs/dbraw/zinc/15/88/73/332158873.db2.gz JUXFJFLVEBGPKG-HNNXBMFYSA-N 0 3 259.780 3.423 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCOCC1)c1ccc(Cl)cc1 ZINC000491630699 332253278 /nfs/dbraw/zinc/25/32/78/332253278.db2.gz NLSJEICCWSYCKP-CABCVRRESA-N 0 3 263.768 3.173 20 30 CGEDHN C#C[C@H](NCCCc1cnccc1C)c1ccc(F)cc1 ZINC000491662682 332272290 /nfs/dbraw/zinc/27/22/90/332272290.db2.gz OTQWCEBXYLJWOQ-SFHVURJKSA-N 0 3 282.362 3.426 20 30 CGEDHN C#C[C@H](N[C@@H](C)Cc1ccn(C(C)C)n1)C(C)(C)C ZINC000491709929 332301972 /nfs/dbraw/zinc/30/19/72/332301972.db2.gz QDWHOYKTSCQPDF-ZFWWWQNUSA-N 0 3 261.413 3.033 20 30 CGEDHN C#C[C@H](NC[C@@H]1CCO[C@H](CC)C1)c1ccc(F)cc1 ZINC000491750611 332327328 /nfs/dbraw/zinc/32/73/28/332327328.db2.gz VIWRKEJATBSPTD-XYPHTWIQSA-N 0 3 275.367 3.295 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H]1NCCCC1(C)C ZINC000575796096 335115775 /nfs/dbraw/zinc/11/57/75/335115775.db2.gz DAXCSWJRDYXDHX-CQSZACIVSA-N 0 3 292.448 3.041 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(Oc2cccc(F)c2)CC1 ZINC000528573917 333446729 /nfs/dbraw/zinc/44/67/29/333446729.db2.gz MRXNFTHRQUOSKV-ZDUSSCGKSA-N 0 3 276.355 3.361 20 30 CGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000174211313 335150625 /nfs/dbraw/zinc/15/06/25/335150625.db2.gz CSIFVIIPJNDAAR-CQSZACIVSA-N 0 3 291.354 3.160 20 30 CGEDHN Cc1cccc([C@@H](C)CNCc2ccc(C#N)o2)c1 ZINC000174425009 335154502 /nfs/dbraw/zinc/15/45/02/335154502.db2.gz ZVZTYMKHPBJVLY-ZDUSSCGKSA-N 0 3 254.333 3.353 20 30 CGEDHN N#Cc1ccc(OCCNCc2ccc(Cl)s2)cc1 ZINC000174561238 335158970 /nfs/dbraw/zinc/15/89/70/335158970.db2.gz LDFOPHDCGVKVKO-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN COc1ccccc1/C=C\CN1CCC(CC#N)CC1 ZINC000541922115 333801076 /nfs/dbraw/zinc/80/10/76/333801076.db2.gz NOVDYWWNOZIIBQ-XQRVVYSFSA-N 0 3 270.376 3.334 20 30 CGEDHN CSc1ccc(OCCN2CCC(CC#N)CC2)cc1 ZINC000542879623 333847674 /nfs/dbraw/zinc/84/76/74/333847674.db2.gz OYYZCQYOQLVMFJ-UHFFFAOYSA-N 0 3 290.432 3.413 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000545241137 333972532 /nfs/dbraw/zinc/97/25/32/333972532.db2.gz RSQSBBXWSSUJAV-QWRGUYRKSA-N 0 3 270.298 3.386 20 30 CGEDHN C=CCCCCN[C@H](COC)c1ccc(CC)o1 ZINC000564288981 333977341 /nfs/dbraw/zinc/97/73/41/333977341.db2.gz AEXVHCQDOCSMSZ-CQSZACIVSA-N 0 3 251.370 3.475 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)s2)CC1 ZINC000075415235 334041599 /nfs/dbraw/zinc/04/15/99/334041599.db2.gz FOAQTYNCQHMDAL-UHFFFAOYSA-N 0 3 293.436 3.219 20 30 CGEDHN C=CCOCCCN1CCc2cccc(F)c2[C@H]1C ZINC000548095427 334139309 /nfs/dbraw/zinc/13/93/09/334139309.db2.gz GEFJULYFYDFPEA-CYBMUJFWSA-N 0 3 263.356 3.338 20 30 CGEDHN CCC[C@@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000549482952 334195177 /nfs/dbraw/zinc/19/51/77/334195177.db2.gz WZPMEIUPFLXJEM-KRWDZBQOSA-N 0 3 299.418 3.095 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000090919529 334369481 /nfs/dbraw/zinc/36/94/81/334369481.db2.gz WKFNYYZWOYUREN-NSHDSACASA-N 0 3 271.282 3.302 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000090919530 334369514 /nfs/dbraw/zinc/36/95/14/334369514.db2.gz WKFNYYZWOYUREN-LLVKDONJSA-N 0 3 271.282 3.302 20 30 CGEDHN Cc1ccnc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)c1 ZINC000577743609 335395549 /nfs/dbraw/zinc/39/55/49/335395549.db2.gz VFUABPCWQUEEKT-CYBMUJFWSA-N 0 3 283.400 3.313 20 30 CGEDHN C=CCCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000581984591 336184599 /nfs/dbraw/zinc/18/45/99/336184599.db2.gz OTBQISCKYJMCJF-DLBZAZTESA-N 0 3 277.383 3.143 20 30 CGEDHN COc1ccc(CN(C)C)cc1NCc1ccc(C#N)cc1 ZINC000387267095 336190970 /nfs/dbraw/zinc/19/09/70/336190970.db2.gz GPYOOZLAQQLFNR-UHFFFAOYSA-N 0 3 295.386 3.241 20 30 CGEDHN Cc1cc(CN[C@H](CCCC#N)c2ccccc2)n(C)n1 ZINC000418071384 533734265 /nfs/dbraw/zinc/73/42/65/533734265.db2.gz WGDLSPJZLNXDCZ-QGZVFWFLSA-N 0 3 282.391 3.253 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)C1CCCCC1 ZINC000425542495 534080912 /nfs/dbraw/zinc/08/09/12/534080912.db2.gz YEIRQBKLBQNNRU-KSSFIOAISA-N 0 3 286.419 3.492 20 30 CGEDHN C[C@@H](F)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367134598 534276626 /nfs/dbraw/zinc/27/66/26/534276626.db2.gz ZVKQDNGEVULLSU-CYBMUJFWSA-N 0 3 258.340 3.395 20 30 CGEDHN Cc1noc(C)c1CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532731 534338537 /nfs/dbraw/zinc/33/85/37/534338537.db2.gz JXFRFIYRIMPPOE-ZDUSSCGKSA-N 0 3 283.375 3.399 20 30 CGEDHN C#CCOc1ccc(CN(C)[C@H](C)c2ccncc2)cc1 ZINC000183713862 518324205 /nfs/dbraw/zinc/32/42/05/518324205.db2.gz AOSVFMBPDZDOAD-OAHLLOKOSA-N 0 3 280.371 3.287 20 30 CGEDHN Cc1ccc2[nH]c(CNC3CCC(C)(C#N)CC3)nc2c1 ZINC000336221447 534501987 /nfs/dbraw/zinc/50/19/87/534501987.db2.gz HVKJVNWUYBNQMO-UHFFFAOYSA-N 0 3 282.391 3.433 20 30 CGEDHN Cc1ccc2nc(CNC3CCC(C)(C#N)CC3)[nH]c2c1 ZINC000336221447 534501994 /nfs/dbraw/zinc/50/19/94/534501994.db2.gz HVKJVNWUYBNQMO-UHFFFAOYSA-N 0 3 282.391 3.433 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Br)c(F)c2)C1 ZINC000335286352 534755249 /nfs/dbraw/zinc/75/52/49/534755249.db2.gz QGEFGCXOLLHFSC-GXSJLCMTSA-N 0 3 297.171 3.370 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)cc1F ZINC000365277127 534782329 /nfs/dbraw/zinc/78/23/29/534782329.db2.gz SWFWNZWIRGGZGC-INIZCTEOSA-N 0 3 295.361 3.157 20 30 CGEDHN C=C(C)CCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000352112088 526439468 /nfs/dbraw/zinc/43/94/68/526439468.db2.gz ABOALTPCWQMCKH-UHFFFAOYSA-N 0 3 255.365 3.270 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CC)cc2)CC1 ZINC000106039509 526600445 /nfs/dbraw/zinc/60/04/45/526600445.db2.gz RRHZQPHTTFGGBM-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)COCCNCc1cc(C)c2ncccc2c1 ZINC000344329000 526654565 /nfs/dbraw/zinc/65/45/65/526654565.db2.gz RSKKFAALUCCYAH-UHFFFAOYSA-N 0 3 270.376 3.226 20 30 CGEDHN C=CCOCCCN(Cc1ccccc1F)C1CC1 ZINC000347970024 526749048 /nfs/dbraw/zinc/74/90/48/526749048.db2.gz VGYZWLGFJTUQCG-UHFFFAOYSA-N 0 3 263.356 3.383 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CC[C@@H]2SC)cc1 ZINC000344950060 526889702 /nfs/dbraw/zinc/88/97/02/526889702.db2.gz CALNBQOURWMRQP-CABCVRRESA-N 0 3 263.406 3.235 20 30 CGEDHN CC(C)(CCC#N)CN1CCOC[C@H]1CC1CCC1 ZINC000354727606 526986039 /nfs/dbraw/zinc/98/60/39/526986039.db2.gz KGSRFIRVOYCUOM-OAHLLOKOSA-N 0 3 264.413 3.207 20 30 CGEDHN C=CCCCN1CCN(Cc2cccc(C)c2)CC1 ZINC000344601891 527198613 /nfs/dbraw/zinc/19/86/13/527198613.db2.gz OTTKRPPQXRUYNI-UHFFFAOYSA-N 0 3 258.409 3.079 20 30 CGEDHN C=C[C@H](CO)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000353581101 527595320 /nfs/dbraw/zinc/59/53/20/527595320.db2.gz YLDDTCLGFOPIJU-NVXWUHKLSA-N 0 3 259.393 3.324 20 30 CGEDHN CC(C)[C@H](O)C1(CN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358555511 527717517 /nfs/dbraw/zinc/71/75/17/527717517.db2.gz AKJWHVAGOFNLOU-LRDDRELGSA-N 0 3 290.382 3.145 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439467173 527931877 /nfs/dbraw/zinc/93/18/77/527931877.db2.gz YHZMPGCMVZNBPC-QWHCGFSZSA-N 0 3 291.826 3.126 20 30 CGEDHN CC(C)COCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538067 528095649 /nfs/dbraw/zinc/09/56/49/528095649.db2.gz RFANMDDUKAVKHX-AWEZNQCLSA-N 0 3 260.381 3.224 20 30 CGEDHN CCOC1CC(CN(CCC#N)CC(C)(C)C)C1 ZINC000352024771 528496797 /nfs/dbraw/zinc/49/67/97/528496797.db2.gz ITMKXKBZIGLDCB-UHFFFAOYSA-N 0 3 252.402 3.063 20 30 CGEDHN CC(C)[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)(C)O ZINC000357786766 528597401 /nfs/dbraw/zinc/59/74/01/528597401.db2.gz JVPBWKZQHWPOQJ-XHDPSFHLSA-N 0 3 278.371 3.143 20 30 CGEDHN CC(C)Cc1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000344335606 528658161 /nfs/dbraw/zinc/65/81/61/528658161.db2.gz FCVAIXMHUMMVLG-OLZOCXBDSA-N 0 3 258.365 3.222 20 30 CGEDHN CCN(Cc1ccc2ccccc2c1)C(=O)C(C)C#N ZINC000347063287 528802058 /nfs/dbraw/zinc/80/20/58/528802058.db2.gz HFTAYSKNFVIOMX-CYBMUJFWSA-N 0 3 266.344 3.348 20 30 CGEDHN CCC1(CC)[C@H](NCc2cccc(C#N)c2F)C[C@H]1OC ZINC000358998303 529108729 /nfs/dbraw/zinc/10/87/29/529108729.db2.gz HHTAEBWFPXTWIT-HUUCEWRRSA-N 0 3 290.382 3.381 20 30 CGEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)[C@@H]1[C@H]1CCCO1 ZINC000351968536 529123714 /nfs/dbraw/zinc/12/37/14/529123714.db2.gz QZLWBVPKJSHDFY-IAGOWNOFSA-N 0 3 284.403 3.142 20 30 CGEDHN CCCC[C@@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000460347504 534947566 /nfs/dbraw/zinc/94/75/66/534947566.db2.gz MOJMJJIMUNMFSP-WBVHZDCISA-N 0 3 299.418 3.445 20 30 CGEDHN C#CCN(CC)Cc1ccc2cc(OC)ccc2c1 ZINC000746142557 571954344 /nfs/dbraw/zinc/95/43/44/571954344.db2.gz AARISGANUMONBX-UHFFFAOYSA-N 0 3 253.345 3.304 20 30 CGEDHN C=C1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000731032373 572392510 /nfs/dbraw/zinc/39/25/10/572392510.db2.gz IKHRZKNYNRLUFM-UHFFFAOYSA-N 0 3 284.403 3.075 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccccn1 ZINC000732593696 572473039 /nfs/dbraw/zinc/47/30/39/572473039.db2.gz QJVGRNGJUVFOFA-RHSMWYFYSA-N 0 3 290.366 3.453 20 30 CGEDHN C#CCOc1ccc(CNCCOC2CCCCC2)cc1 ZINC000733326045 572556287 /nfs/dbraw/zinc/55/62/87/572556287.db2.gz GARNHWXKPXIQEX-UHFFFAOYSA-N 0 3 287.403 3.138 20 30 CGEDHN Cn1c(CNCC(C)(C)CCC#N)nc2cc(F)ccc21 ZINC000742372078 572569252 /nfs/dbraw/zinc/56/92/52/572569252.db2.gz QKYGURMUEURZKA-UHFFFAOYSA-N 0 3 288.370 3.132 20 30 CGEDHN C#CCOc1ccccc1CN[C@H]1C[C@@H]1Cc1ccccc1 ZINC000742375865 572570428 /nfs/dbraw/zinc/57/04/28/572570428.db2.gz WYDZHNASRMVFAN-OALUTQOASA-N 0 3 291.394 3.419 20 30 CGEDHN N#Cc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000726606880 572589140 /nfs/dbraw/zinc/58/91/40/572589140.db2.gz FVRNFNGHFBENEI-HWKANZROSA-N 0 3 293.326 3.269 20 30 CGEDHN C#CCN(C[C@@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000744739301 572770777 /nfs/dbraw/zinc/77/07/77/572770777.db2.gz SQXRMVURYFTKOS-NSHDSACASA-N 0 3 260.208 3.448 20 30 CGEDHN C#CCN(CC)CCOc1ccccc1C(F)(F)F ZINC000746456761 572871944 /nfs/dbraw/zinc/87/19/44/572871944.db2.gz HUORWKVHRSJOCA-UHFFFAOYSA-N 0 3 271.282 3.039 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000947968383 613234443 /nfs/dbraw/zinc/23/44/43/613234443.db2.gz YQFDVLSNEJEHGI-MAUKXSAKSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2ccc(C)s2)CC1 ZINC000980636428 613254848 /nfs/dbraw/zinc/25/48/48/613254848.db2.gz VFHOMWZRZCGGRX-UHFFFAOYSA-N 0 3 292.448 3.171 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2occc2Cl)CC1 ZINC000981895835 613255869 /nfs/dbraw/zinc/25/58/69/613255869.db2.gz VVKXYHJHRDIYHY-UHFFFAOYSA-N 0 3 296.798 3.047 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)C[C@@H]1C ZINC000947896018 613269694 /nfs/dbraw/zinc/26/96/94/613269694.db2.gz UHIADZFIXVBVNC-YJBOKZPZSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190791 613325518 /nfs/dbraw/zinc/32/55/18/613325518.db2.gz MHRMSKYOYYRZPA-NVXWUHKLSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)C)C[C@H]2C1 ZINC000980226197 613380490 /nfs/dbraw/zinc/38/04/90/613380490.db2.gz PGYKGSQQSVGJRM-MELADBBJSA-N 0 3 298.858 3.002 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC=C(C)C)CC[C@@H]2C)C1 ZINC000968276155 613398896 /nfs/dbraw/zinc/39/88/96/613398896.db2.gz VDQYGIDAAUVAJS-JKSUJKDBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC000969103413 613684179 /nfs/dbraw/zinc/68/41/79/613684179.db2.gz RUOWIXFGZBGLPM-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccccc2Cl)C[C@H]1C ZINC000947958030 613754296 /nfs/dbraw/zinc/75/42/96/613754296.db2.gz OPSITOOJPVXBLY-CHWSQXEVSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000941098956 613760242 /nfs/dbraw/zinc/76/02/42/613760242.db2.gz IYVKPUHFHGRRAR-CQSZACIVSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940950460 613781448 /nfs/dbraw/zinc/78/14/48/613781448.db2.gz NSKVLMDJFWPURG-CVEARBPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940960359 613784893 /nfs/dbraw/zinc/78/48/93/613784893.db2.gz FIEOLNRJXRBVKH-CABCVRRESA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2sccc2Cl)[C@H](C)C1 ZINC000942074094 613801676 /nfs/dbraw/zinc/80/16/76/613801676.db2.gz UPOMOKAYDDPKHO-PWSUYJOCSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2sccc2Cl)[C@@H](C)C1 ZINC000942074093 613802016 /nfs/dbraw/zinc/80/20/16/613802016.db2.gz UPOMOKAYDDPKHO-JQWIXIFHSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](O)c1ccccc1 ZINC000034991796 617612169 /nfs/dbraw/zinc/61/21/69/617612169.db2.gz NVHQJZUEKGWAPZ-QGZVFWFLSA-N 0 3 283.371 3.075 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(C)cc2C)CCC1 ZINC000933300645 618196475 /nfs/dbraw/zinc/19/64/75/618196475.db2.gz BKGKPCUUPLDHFN-HNNXBMFYSA-N 0 3 284.403 3.166 20 30 CGEDHN C#CCC1(NCC(=O)Nc2c(C)cccc2CC)CCC1 ZINC000933301389 618196647 /nfs/dbraw/zinc/19/66/47/618196647.db2.gz NQNFBUGCVSQHNE-UHFFFAOYSA-N 0 3 284.403 3.032 20 30 CGEDHN CCOC(=O)CCCCCN(C)Cc1cc(C#N)cs1 ZINC000933772200 618325154 /nfs/dbraw/zinc/32/51/54/618325154.db2.gz ZQHJIWSIRDYHMB-UHFFFAOYSA-N 0 3 294.420 3.175 20 30 CGEDHN COC1(OC)CC[C@H]1N[C@@H](CCCC#N)c1ccccc1 ZINC000926478608 618705411 /nfs/dbraw/zinc/70/54/11/618705411.db2.gz AIUYUYQQQRKHOZ-JKSUJKDBSA-N 0 3 288.391 3.163 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000892420436 618768357 /nfs/dbraw/zinc/76/83/57/618768357.db2.gz RPXHGVHXHYTOIS-MELADBBJSA-N 0 3 293.370 3.186 20 30 CGEDHN C#CCCCCN[C@@H](C)c1nc(Br)ccc1F ZINC000925525465 619020306 /nfs/dbraw/zinc/02/03/06/619020306.db2.gz BBIZJHSGVIWDDS-JTQLQIEISA-N 0 3 299.187 3.437 20 30 CGEDHN C=C(Br)CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185219435 619222596 /nfs/dbraw/zinc/22/25/96/619222596.db2.gz ZQRNJLXXZKWJDF-WDEREUQCSA-N 0 3 276.218 3.077 20 30 CGEDHN CC(C)c1nnc(CNCC2CCC(C#N)CC2)s1 ZINC000894245825 619439761 /nfs/dbraw/zinc/43/97/61/619439761.db2.gz GQSKQGVBYIEPQS-UHFFFAOYSA-N 0 3 278.425 3.081 20 30 CGEDHN CCCOc1ccc(CN[C@@H](C)CC(C)(C)C#N)cn1 ZINC000925000924 619484279 /nfs/dbraw/zinc/48/42/79/619484279.db2.gz USRALIHDNCFMPY-ZDUSSCGKSA-N 0 3 275.396 3.288 20 30 CGEDHN C#C[C@@H](CC)NCc1cn(CC)nc1-c1ccccc1 ZINC000894737710 619617696 /nfs/dbraw/zinc/61/76/96/619617696.db2.gz FEWXMSDCNZMRRG-INIZCTEOSA-N 0 3 267.376 3.071 20 30 CGEDHN C#CCOc1ccccc1CNC[C@@H](OC)c1ccccc1 ZINC000237212838 619726349 /nfs/dbraw/zinc/72/63/49/619726349.db2.gz KKTBSFUICQGORQ-LJQANCHMSA-N 0 3 295.382 3.176 20 30 CGEDHN C#CCOc1ccc(CN2CCC(OC3CCC3)CC2)cc1 ZINC000841888232 619814771 /nfs/dbraw/zinc/81/47/71/619814771.db2.gz GEPVTWFYZOYASM-UHFFFAOYSA-N 0 3 299.414 3.232 20 30 CGEDHN C[C@@H](CCC#N)CN1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000895408372 619822646 /nfs/dbraw/zinc/82/26/46/619822646.db2.gz AZEJDRIRVLDFMC-BBRMVZONSA-N 0 3 280.412 3.122 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CO)c1ccc(Cl)cc1 ZINC000925293755 620364927 /nfs/dbraw/zinc/36/49/27/620364927.db2.gz DHCXARKDAKJNRO-SMDDNHRTSA-N 0 3 280.799 3.291 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000899076574 620620149 /nfs/dbraw/zinc/62/01/49/620620149.db2.gz QMCKRZUDPZICBW-RBSFLKMASA-N 0 3 292.423 3.427 20 30 CGEDHN C[C@@H](NCCc1cc(F)ccc1F)c1cc(C#N)ccn1 ZINC000902830256 621460386 /nfs/dbraw/zinc/46/03/86/621460386.db2.gz MLPZGJVPCRPHTF-LLVKDONJSA-N 0 3 287.313 3.125 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(CC2CCC2)c1 ZINC000903191710 621619794 /nfs/dbraw/zinc/61/97/94/621619794.db2.gz DSVCNMIIUKEJLD-IVMMDQJWSA-N 0 3 272.396 3.026 20 30 CGEDHN CC[C@H](NCc1cc(N(C)C)ccn1)c1ccc(C#N)cc1 ZINC000903198401 621622878 /nfs/dbraw/zinc/62/28/78/621622878.db2.gz KQDGGAOOXZKJSY-SFHVURJKSA-N 0 3 294.402 3.260 20 30 CGEDHN CC(C)CC[C@H](NCc1nc(C#N)cs1)C1CC1 ZINC000903262747 621648870 /nfs/dbraw/zinc/64/88/70/621648870.db2.gz HOPBFAIYJNDQRT-ZDUSSCGKSA-N 0 3 263.410 3.319 20 30 CGEDHN C[C@H](N[C@@H]1CCOC12CCCCC2)c1cc(C#N)ccn1 ZINC000903268150 621654559 /nfs/dbraw/zinc/65/45/59/621654559.db2.gz LBAMPSWHCJVTIE-XJKSGUPXSA-N 0 3 285.391 3.096 20 30 CGEDHN CC(C)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905083150 622032979 /nfs/dbraw/zinc/03/29/79/622032979.db2.gz ZSAZWJSSHYBJAQ-GYBQTFJISA-N 0 3 267.332 3.242 20 30 CGEDHN CCCc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905083855 622033318 /nfs/dbraw/zinc/03/33/18/622033318.db2.gz GNXFPDAUHYMMGV-LUHPIMIVSA-N 0 3 267.332 3.072 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccs1 ZINC000912070135 622596404 /nfs/dbraw/zinc/59/64/04/622596404.db2.gz ZFLQRZMFTPTJBY-STQMWFEESA-N 0 3 278.421 3.095 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000912158636 622605680 /nfs/dbraw/zinc/60/56/80/622605680.db2.gz DUJUJYFEOYTQAS-WFASDCNBSA-N 0 3 278.371 3.029 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000912271590 622623998 /nfs/dbraw/zinc/62/39/98/622623998.db2.gz ABCYWESJDCQCPJ-GFCCVEGCSA-N 0 3 270.735 3.101 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1cccc(Cl)c1 ZINC000876600503 622791953 /nfs/dbraw/zinc/79/19/53/622791953.db2.gz KBCQQYJMZDLWCD-LBPRGKRZSA-N 0 3 287.190 3.163 20 30 CGEDHN C#CCCOc1ccc(CNCc2cccc(O)c2)cc1 ZINC000172117718 623222258 /nfs/dbraw/zinc/22/22/58/623222258.db2.gz LZBNSEQLCKRUKB-UHFFFAOYSA-N 0 3 281.355 3.084 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)C3CCC(=C)CC3)CCC[C@@H]12 ZINC000992151152 623451458 /nfs/dbraw/zinc/45/14/58/623451458.db2.gz KIFBKJLZUBDAIN-SJLPKXTDSA-N 0 3 288.435 3.032 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@@H]12 ZINC000992289011 623504297 /nfs/dbraw/zinc/50/42/97/623504297.db2.gz URLJXKMAMOYUDI-MJGOQNOKSA-N 0 3 296.414 3.242 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992979400 623767099 /nfs/dbraw/zinc/76/70/99/623767099.db2.gz DMKQBNKWPGLZLB-NVXWUHKLSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993080286 623821802 /nfs/dbraw/zinc/82/18/02/623821802.db2.gz NZCYIBQUCAEULG-DOTOQJQBSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993327674 624026081 /nfs/dbraw/zinc/02/60/81/624026081.db2.gz NJWPZZWGXBDIBC-IUODEOHRSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993637827 624055540 /nfs/dbraw/zinc/05/55/40/624055540.db2.gz VCYYBKRJCYKMON-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C#CCCCN1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000766895144 624379006 /nfs/dbraw/zinc/37/90/06/624379006.db2.gz JDMUAIVSFRGBRE-OAHLLOKOSA-N 0 3 290.838 3.432 20 30 CGEDHN CC(C)=CCOc1ccc(CCC(C)=Nn2cnnc2)cc1 ZINC000920359412 624480540 /nfs/dbraw/zinc/48/05/40/624480540.db2.gz LXDNSUCYQJGZKL-UHFFFAOYSA-N 0 3 298.390 3.480 20 30 CGEDHN N#CC(C(=O)C1CCC=CCC1)c1nc2ccccc2[nH]1 ZINC000873495723 634390047 /nfs/dbraw/zinc/39/00/47/634390047.db2.gz WQGMAUNEUXNESV-ZDUSSCGKSA-N 0 3 279.343 3.486 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2)cc1 ZINC000237702774 624674902 /nfs/dbraw/zinc/67/49/02/624674902.db2.gz PCNFYSGCFJHDBI-AWEZNQCLSA-N 0 3 266.344 3.267 20 30 CGEDHN C#CCOc1ccccc1CNCCOC1CCCCC1 ZINC000070168143 624971653 /nfs/dbraw/zinc/97/16/53/624971653.db2.gz OXYUIEIVLSMYDC-UHFFFAOYSA-N 0 3 287.403 3.138 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001000843724 625881730 /nfs/dbraw/zinc/88/17/30/625881730.db2.gz YIGLWULATPJZGP-QGZVFWFLSA-N 0 3 288.435 3.057 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001000880814 625883164 /nfs/dbraw/zinc/88/31/64/625883164.db2.gz XCKIHPYIHZGLDE-DLBZAZTESA-N 0 3 290.451 3.137 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNCc1cccnc1C ZINC000922291876 625994083 /nfs/dbraw/zinc/99/40/83/625994083.db2.gz MMSWOFJARCHJMY-UHFFFAOYSA-N 0 3 265.360 3.168 20 30 CGEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccccc2)cs1 ZINC000922300958 625994445 /nfs/dbraw/zinc/99/44/45/625994445.db2.gz XGHHVYCAKOBOQT-CVEARBPZSA-N 0 3 284.384 3.240 20 30 CGEDHN Cc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1C#N ZINC000922758895 626043001 /nfs/dbraw/zinc/04/30/01/626043001.db2.gz BMYFCZGUFSYJBS-UHFFFAOYSA-N 0 3 294.398 3.384 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC001005627898 626093961 /nfs/dbraw/zinc/09/39/61/626093961.db2.gz DZSCICCBFSUNMF-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cc(C3CC3)n(C)n2)C1 ZINC000922955874 626108034 /nfs/dbraw/zinc/10/80/34/626108034.db2.gz PGRMLNKWIRXKMO-GXTWGEPZSA-N 0 3 259.397 3.132 20 30 CGEDHN CN(C)Cc1cccc(C(=O)OCC(C)(C)CCC#N)c1 ZINC000835385479 634477862 /nfs/dbraw/zinc/47/78/62/634477862.db2.gz AZNGRPRSPGLTGD-UHFFFAOYSA-N 0 3 288.391 3.235 20 30 CGEDHN C=CC[N@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)C(C)C ZINC000838793523 626249609 /nfs/dbraw/zinc/24/96/09/626249609.db2.gz NMIHRRANRZKFQZ-UHFFFAOYSA-N 0 3 283.375 3.246 20 30 CGEDHN C=CC[N@@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)C(C)C ZINC000838793523 626249612 /nfs/dbraw/zinc/24/96/12/626249612.db2.gz NMIHRRANRZKFQZ-UHFFFAOYSA-N 0 3 283.375 3.246 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCC1 ZINC000838791709 626255680 /nfs/dbraw/zinc/25/56/80/626255680.db2.gz XREQDZLBCOWTFM-CMPLNLGQSA-N 0 3 268.316 3.440 20 30 CGEDHN Cc1cc(F)ccc1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000750938347 626369905 /nfs/dbraw/zinc/36/99/05/626369905.db2.gz FXKOUBVNSDCNHI-LLVKDONJSA-N 0 3 261.344 3.159 20 30 CGEDHN C[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)[C@H]1C ZINC000751943968 626412743 /nfs/dbraw/zinc/41/27/43/626412743.db2.gz SGKOWCVVNXZOHD-KGLIPLIRSA-N 0 3 280.375 3.110 20 30 CGEDHN C[C@H]1CC(N=Nc2nccc3sccc32)CN1C1CC1 ZINC000753956766 626470212 /nfs/dbraw/zinc/47/02/12/626470212.db2.gz WJDYELDOIRWZBB-JTQLQIEISA-N 0 3 286.404 3.321 20 30 CGEDHN C=CCc1cc(C[N@H+](C)CC(C)C)c([O-])c(OC)c1 ZINC000754720113 626584486 /nfs/dbraw/zinc/58/44/86/626584486.db2.gz KKFAHMJGGNTRPH-UHFFFAOYSA-N 0 3 263.381 3.217 20 30 CGEDHN C=CCc1cc(C[N@@H+](C)CC(C)C)c([O-])c(OC)c1 ZINC000754720113 626584487 /nfs/dbraw/zinc/58/44/87/626584487.db2.gz KKFAHMJGGNTRPH-UHFFFAOYSA-N 0 3 263.381 3.217 20 30 CGEDHN CCCCCCCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000755074945 626599416 /nfs/dbraw/zinc/59/94/16/626599416.db2.gz IASXMTJNEJERKZ-MRXNPFEDSA-N 0 3 295.471 3.225 20 30 CGEDHN C1CCN([C@@H]2CCCCC2=NO[C@@H]2CCCCO2)CC1 ZINC000755825182 626651501 /nfs/dbraw/zinc/65/15/01/626651501.db2.gz VJBKMWVWRPFNQE-HZPDHXFCSA-N 0 3 280.412 3.314 20 30 CGEDHN Cc1ccc(C)c(N=NC2CN(C3CC3)C[C@@H]2C)c1 ZINC000755884937 626656122 /nfs/dbraw/zinc/65/61/22/626656122.db2.gz AJNLMQBLXPXHLL-ZDUSSCGKSA-N 0 3 257.381 3.185 20 30 CGEDHN C#CCN(Cc1cc(OC)cc(C)n1)C1CCCCC1 ZINC000757084546 626753967 /nfs/dbraw/zinc/75/39/67/626753967.db2.gz AMQYTSLKKVSDIM-UHFFFAOYSA-N 0 3 272.392 3.167 20 30 CGEDHN C=C(Cl)CN[C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000839602969 626764800 /nfs/dbraw/zinc/76/48/00/626764800.db2.gz VMIPBBSJMJJNGZ-UONOGXRCSA-N 0 3 253.773 3.087 20 30 CGEDHN C#C[C@@H](NCc1ccccc1OCC(F)(F)F)C(C)C ZINC000809685500 626767821 /nfs/dbraw/zinc/76/78/21/626767821.db2.gz WRTWAGSYOYJTQT-CYBMUJFWSA-N 0 3 285.309 3.375 20 30 CGEDHN C=C(C)CN(CC)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000764156842 627197174 /nfs/dbraw/zinc/19/71/74/627197174.db2.gz QJGWATDKKITXAU-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN CCN(CCc1ccccn1)Cc1ccc(C#N)cc1OC ZINC000766913882 627370236 /nfs/dbraw/zinc/37/02/36/627370236.db2.gz QXKGYYTYESUEOQ-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)cc1C#N ZINC000767684519 627427960 /nfs/dbraw/zinc/42/79/60/627427960.db2.gz AEMQECRLUPBHHZ-UHFFFAOYSA-N 0 3 291.354 3.037 20 30 CGEDHN C=CC[C@H](N[C@H](C)c1ccncc1)c1ccncc1 ZINC000768403995 627479237 /nfs/dbraw/zinc/47/92/37/627479237.db2.gz SWLFDCXXJNOQHQ-CJNGLKHVSA-N 0 3 253.349 3.445 20 30 CGEDHN C#CCN(CC#CC)CC1CCC(C(F)(F)F)CC1 ZINC000768509127 627482665 /nfs/dbraw/zinc/48/26/65/627482665.db2.gz MSOVSBCTXQYUMX-UHFFFAOYSA-N 0 3 271.326 3.314 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc[nH]2)cc1 ZINC000773121459 627859227 /nfs/dbraw/zinc/85/92/27/627859227.db2.gz ZJTULBWLDAUMEG-ZIAGYGMSSA-N 0 3 268.360 3.439 20 30 CGEDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1C#N ZINC000775131881 628066496 /nfs/dbraw/zinc/06/64/96/628066496.db2.gz YKPFXYGWNMLWJX-LBPRGKRZSA-N 0 3 282.343 3.123 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCc2ccc(C)cc21)[C@H]1CCCO1 ZINC000775572718 628108944 /nfs/dbraw/zinc/10/89/44/628108944.db2.gz UDCYYPBOANXNIU-RCCFBDPRSA-N 0 3 269.388 3.143 20 30 CGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCC#Cc1ccccc1 ZINC000778609676 628360998 /nfs/dbraw/zinc/36/09/98/628360998.db2.gz OQLMGEPBDJRZBO-UHFFFAOYSA-N 0 3 299.414 3.234 20 30 CGEDHN C#CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779099226 628388523 /nfs/dbraw/zinc/38/85/23/628388523.db2.gz IBMSVNUOYLIIMG-INIZCTEOSA-N 0 3 269.319 3.386 20 30 CGEDHN C=CCN(C)Cc1sc2nc(C)nc(C)c2c1C ZINC000779188530 628393143 /nfs/dbraw/zinc/39/31/43/628393143.db2.gz SCDDRVGCBWUOTF-UHFFFAOYSA-N 0 3 261.394 3.234 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCC=CO2)c([O-])c1 ZINC000780149869 628457272 /nfs/dbraw/zinc/45/72/72/628457272.db2.gz OYTYIXAOPKNDDE-IQFISFIMSA-N 0 3 288.391 3.350 20 30 CGEDHN CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000780251583 628471795 /nfs/dbraw/zinc/47/17/95/628471795.db2.gz VSLHJPAATNFGRN-OAHLLOKOSA-N 0 3 289.423 3.024 20 30 CGEDHN C[C@H](NC[C@@H]1CSCCS1)c1ccc(C#N)cc1F ZINC000781424231 628559213 /nfs/dbraw/zinc/55/92/13/628559213.db2.gz VZLGMXFZCUTGBJ-CMPLNLGQSA-N 0 3 296.436 3.197 20 30 CGEDHN COC1CCC(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000781450544 628560752 /nfs/dbraw/zinc/56/07/52/628560752.db2.gz DMCHQUTXSXQSOG-WXRRBKDZSA-N 0 3 298.342 3.209 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000783874665 628754510 /nfs/dbraw/zinc/75/45/10/628754510.db2.gz CKULGAPROPNGRF-SNVBAGLBSA-N 0 3 288.782 3.094 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc2c(c1)CCC(=O)N2C ZINC000787309473 629007778 /nfs/dbraw/zinc/00/77/78/629007778.db2.gz JBJPGRGMAIOMOJ-MRXNPFEDSA-N 0 3 284.403 3.136 20 30 CGEDHN C#CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000787416403 629011726 /nfs/dbraw/zinc/01/17/26/629011726.db2.gz NGBLNMAAPLTAAE-RAXLEYEMSA-N 0 3 270.332 3.096 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCC[C@@H](C)C2)n1 ZINC000789325338 629124148 /nfs/dbraw/zinc/12/41/48/629124148.db2.gz CMRGYESJYMTDPP-HZPDHXFCSA-N 0 3 273.424 3.165 20 30 CGEDHN C#CCCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790548326 629217262 /nfs/dbraw/zinc/21/72/62/629217262.db2.gz OYIDIMRHPBZDLC-UHFFFAOYSA-N 0 3 287.794 3.088 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000791570149 629289716 /nfs/dbraw/zinc/28/97/16/629289716.db2.gz ZMWZLELIKKYDBM-INIZCTEOSA-N 0 3 285.387 3.160 20 30 CGEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(OCC#N)cc1 ZINC000791579826 629290331 /nfs/dbraw/zinc/29/03/31/629290331.db2.gz SUVFUNYXVDTIBE-FZMZJTMJSA-N 0 3 298.308 3.362 20 30 CGEDHN CC(C)Cc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000791878415 629314534 /nfs/dbraw/zinc/31/45/34/629314534.db2.gz YGTADFZTGDCTOH-HNNXBMFYSA-N 0 3 279.343 3.165 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC000862443130 629375550 /nfs/dbraw/zinc/37/55/50/629375550.db2.gz LBDCXCGVLFCXFS-GFCCVEGCSA-N 0 3 278.193 3.294 20 30 CGEDHN C#CC[C@H]1CCN(Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000862448392 629380618 /nfs/dbraw/zinc/38/06/18/629380618.db2.gz XWZGFPMUFCWOSX-ZDUSSCGKSA-N 0 3 299.443 3.427 20 30 CGEDHN FC(F)(F)c1ccccc1ON=C1CN2C[C@@H]1CCC2 ZINC000863103927 629472597 /nfs/dbraw/zinc/47/25/97/629472597.db2.gz OGDWITBIBXBQJR-JTQLQIEISA-N 0 3 284.281 3.166 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/C1CC([NH+]2CCCCC2)C1 ZINC000794846819 629587916 /nfs/dbraw/zinc/58/79/16/629587916.db2.gz DQSKNKFNQZPMNP-WOJGMQOQSA-N 0 3 292.810 3.481 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1C ZINC000796640558 629809092 /nfs/dbraw/zinc/80/90/92/629809092.db2.gz ZOSQCPKTXFTUDI-LJQANCHMSA-N 0 3 279.383 3.164 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](O)C1CCCCC1 ZINC000796639685 629809115 /nfs/dbraw/zinc/80/91/15/629809115.db2.gz NEYUQWVRIRGGBK-SFHVURJKSA-N 0 3 271.404 3.063 20 30 CGEDHN C[C@H](OC(=O)C1CCN(C2CC2)CC1)c1cccc(C#N)c1 ZINC000801875501 630362458 /nfs/dbraw/zinc/36/24/58/630362458.db2.gz VMWMTWFDXLWIPS-ZDUSSCGKSA-N 0 3 298.386 3.037 20 30 CGEDHN C[C@@H](OC(=O)C1CCN(C2CC2)CC1)c1cccc(C#N)c1 ZINC000801875497 630363002 /nfs/dbraw/zinc/36/30/02/630363002.db2.gz VMWMTWFDXLWIPS-CYBMUJFWSA-N 0 3 298.386 3.037 20 30 CGEDHN C[C@@H](C#N)OCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000801923200 630367463 /nfs/dbraw/zinc/36/74/63/630367463.db2.gz BBWJUCHFTPGKJA-WWGRRREGSA-N 0 3 276.355 3.137 20 30 CGEDHN CCOc1ccccc1[C@H](CC)NCCO[C@H](C)C#N ZINC000801937554 630370521 /nfs/dbraw/zinc/37/05/21/630370521.db2.gz PPQHVKLNDSGXDC-HIFRSBDPSA-N 0 3 276.380 3.055 20 30 CGEDHN CC(C)Oc1ccccc1[C@H](C)NCCO[C@H](C)C#N ZINC000801937442 630370941 /nfs/dbraw/zinc/37/09/41/630370941.db2.gz NBCWCPGUKKBWRF-KGLIPLIRSA-N 0 3 276.380 3.053 20 30 CGEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1nccc2ccccc21 ZINC000802226269 630384978 /nfs/dbraw/zinc/38/49/78/630384978.db2.gz JUHZJSMRCZUYCZ-KXPUMZMLSA-N 0 3 287.322 3.453 20 30 CGEDHN C#Cc1ccc(CN(C)CCOCc2ccccc2)cc1 ZINC000809592382 630756226 /nfs/dbraw/zinc/75/62/26/630756226.db2.gz FXOLQDACBXEZJJ-UHFFFAOYSA-N 0 3 279.383 3.317 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000809656984 630775978 /nfs/dbraw/zinc/77/59/78/630775978.db2.gz QRYTVCKYMXNTNR-BXUZGUMPSA-N 0 3 267.294 3.441 20 30 CGEDHN C#C[C@@H](NCc1ccccc1OCc1cccnc1)C(C)C ZINC000809685541 630781017 /nfs/dbraw/zinc/78/10/17/630781017.db2.gz ZLJHJGUDXPZFRV-GOSISDBHSA-N 0 3 294.398 3.408 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OCCCC)c(OC)c1 ZINC000809686131 630782223 /nfs/dbraw/zinc/78/22/23/630782223.db2.gz RFBSYPONHQEPQS-OAHLLOKOSA-N 0 3 275.392 3.376 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000809686343 630782819 /nfs/dbraw/zinc/78/28/19/630782819.db2.gz MNFSQIQBCAJPMI-CYBMUJFWSA-N 0 3 260.337 3.220 20 30 CGEDHN C#C[C@H](CC)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000809686792 630783504 /nfs/dbraw/zinc/78/35/04/630783504.db2.gz LHEDGDYYOCMMPH-OAHLLOKOSA-N 0 3 273.376 3.143 20 30 CGEDHN C#C[C@H](NCc1cnc2ccc(Cl)cn12)C(C)(C)C ZINC000809781618 630806130 /nfs/dbraw/zinc/80/61/30/630806130.db2.gz XJHPPKGLZLLAJB-ZDUSSCGKSA-N 0 3 275.783 3.125 20 30 CGEDHN C#CCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000810534793 630886585 /nfs/dbraw/zinc/88/65/85/630886585.db2.gz ATOOFPQPFRSBCE-NSHDSACASA-N 0 3 266.300 3.054 20 30 CGEDHN C#C[C@H](C)NC/C(C)=C/c1ccccc1OC(F)F ZINC000811505122 631077115 /nfs/dbraw/zinc/07/71/15/631077115.db2.gz FJPKPLMQXDHUSA-ZKQHCESOSA-N 0 3 265.303 3.303 20 30 CGEDHN C#C[C@@H](N[C@H](C)CCn1cccn1)c1ccc(Cl)cc1 ZINC000811517460 631082402 /nfs/dbraw/zinc/08/24/02/631082402.db2.gz SZSLRNLCEBUELH-CZUORRHYSA-N 0 3 287.794 3.279 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCCCF ZINC000812773781 631305836 /nfs/dbraw/zinc/30/58/36/631305836.db2.gz RJMUGZVYULFTPT-UHFFFAOYSA-N 0 3 269.747 3.191 20 30 CGEDHN C#C[C@H](N[C@H](C)Cc1cccc(OC)n1)c1ccc(F)cc1 ZINC000812793711 631312576 /nfs/dbraw/zinc/31/25/76/631312576.db2.gz BOAJBWFYRKNYIE-DYVFJYSZSA-N 0 3 298.361 3.124 20 30 CGEDHN CCOc1ccc(N=NC2C[C@H](C)N(C3CC3)C2)cc1 ZINC000814985245 631702284 /nfs/dbraw/zinc/70/22/84/631702284.db2.gz YJXJNBQQUVQXKC-LBPRGKRZSA-N 0 3 273.380 3.110 20 30 CGEDHN C[C@]12CCN([C@@H]3CC[C@H](C#N)C3)C[C@H]1C2(Cl)Cl ZINC000815114755 631720444 /nfs/dbraw/zinc/72/04/44/631720444.db2.gz USWHVGJIJUWRDD-QCNOEVLYSA-N 0 3 273.207 3.194 20 30 CGEDHN Cc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)cc(C)n1 ZINC000817589990 632193170 /nfs/dbraw/zinc/19/31/70/632193170.db2.gz RURXPQJYPZYVMB-OAHLLOKOSA-N 0 3 295.386 3.452 20 30 CGEDHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000818967560 632358119 /nfs/dbraw/zinc/35/81/19/632358119.db2.gz WDRHWRFENXMZNQ-CSMYWGQOSA-N 0 3 296.370 3.098 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC23CC3)c([O-])c1 ZINC000818991520 632360842 /nfs/dbraw/zinc/36/08/42/632360842.db2.gz GJUIIXBPOSQFMH-VUVCFOEZSA-N 0 3 258.365 3.210 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000823618189 633128168 /nfs/dbraw/zinc/12/81/68/633128168.db2.gz PGQUMQQYRZGJCN-CZUORRHYSA-N 0 3 298.386 3.037 20 30 CGEDHN C=C(C)CCNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000824743647 633282481 /nfs/dbraw/zinc/28/24/81/633282481.db2.gz KLYBJTZWFKBFEK-UHFFFAOYSA-N 0 3 281.709 3.148 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000876586494 634862173 /nfs/dbraw/zinc/86/21/73/634862173.db2.gz AFNFAKUCIWAQBV-JOYOIKCWSA-N 0 3 286.828 3.012 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@@H](CC)c1ccccc1 ZINC000876598702 634865070 /nfs/dbraw/zinc/86/50/70/634865070.db2.gz OVGBHPHSZLDAHW-GJZGRUSLSA-N 0 3 294.826 3.456 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000876602107 634866289 /nfs/dbraw/zinc/86/62/89/634866289.db2.gz HEQXYRXWBJAPRX-CABCVRRESA-N 0 3 294.826 3.012 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000876608506 634866715 /nfs/dbraw/zinc/86/67/15/634866715.db2.gz BKBWPLLOHAGGHR-FZMZJTMJSA-N 0 3 296.798 3.272 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000876602991 634866859 /nfs/dbraw/zinc/86/68/59/634866859.db2.gz IVMCNNXSKWVTIJ-MMWSSPAHSA-N 0 3 284.831 3.026 20 30 CGEDHN C#C[C@@H](N[C@H]1CCCSCC1)c1ccc(F)cc1 ZINC000825955982 633391626 /nfs/dbraw/zinc/39/16/26/633391626.db2.gz VQKGBORPCNMCRL-LSDHHAIUSA-N 0 3 263.381 3.375 20 30 CGEDHN C#C[C@H](NCc1ccccc1C(F)(F)F)C1CCOCC1 ZINC000827576074 633499754 /nfs/dbraw/zinc/49/97/54/633499754.db2.gz YEEHKTVOCXKIOP-HNNXBMFYSA-N 0 3 297.320 3.223 20 30 CGEDHN COc1cccc(C[C@@H](NCC2(C#N)CCC2)C2CC2)c1 ZINC000828808236 633655978 /nfs/dbraw/zinc/65/59/78/633655978.db2.gz ILHPOSDVHAZFTN-QGZVFWFLSA-N 0 3 284.403 3.300 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccc(OC)c(F)c2)C1 ZINC000829774406 633780072 /nfs/dbraw/zinc/78/00/72/633780072.db2.gz PUQTWWIISKIIQD-ZDUSSCGKSA-N 0 3 261.340 3.070 20 30 CGEDHN C#CC[C@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000829804453 633789431 /nfs/dbraw/zinc/78/94/31/633789431.db2.gz HKEMSERBVGIOOU-KBPBESRZSA-N 0 3 289.375 3.171 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000829815359 633795891 /nfs/dbraw/zinc/79/58/91/633795891.db2.gz KIULUHRFYUYRFS-HNNXBMFYSA-N 0 3 255.361 3.125 20 30 CGEDHN CC(C)CO[C@@H]1C[C@@H](NCC2(C#N)CCC2)C1(C)C ZINC000831275641 633936540 /nfs/dbraw/zinc/93/65/40/633936540.db2.gz ANGZKEVEFIUNGN-ZIAGYGMSSA-N 0 3 264.413 3.110 20 30 CGEDHN C=CC[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046716 633969461 /nfs/dbraw/zinc/96/94/61/633969461.db2.gz ZNCCZGSPXUFDCY-VHSXEESVSA-N 0 3 252.289 3.349 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076145 633999318 /nfs/dbraw/zinc/99/93/18/633999318.db2.gz YHSXWWDIIJEJTE-WOPDTQHZSA-N 0 3 291.326 3.467 20 30 CGEDHN C=CC(C)(C)CCCN[C@H](C)c1cc2n(n1)CCC2 ZINC000872102719 634023661 /nfs/dbraw/zinc/02/36/61/634023661.db2.gz SIQNVGQXYCHQFQ-CYBMUJFWSA-N 0 3 261.413 3.472 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CNC2(C)CC(F)(F)C2)cc1 ZINC000873198110 634282069 /nfs/dbraw/zinc/28/20/69/634282069.db2.gz QLVHUEQWVYAGON-NSHDSACASA-N 0 3 280.318 3.255 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000876657831 634877237 /nfs/dbraw/zinc/87/72/37/634877237.db2.gz SHOHYGLEXAQCTK-LSDHHAIUSA-N 0 3 294.826 3.278 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1ccc(CC)cc1 ZINC000876688170 634881166 /nfs/dbraw/zinc/88/11/66/634881166.db2.gz VVZNZQCMVQUUNP-AWEZNQCLSA-N 0 3 294.826 3.070 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC(C)C)C(CC)CC ZINC000876698405 634884504 /nfs/dbraw/zinc/88/45/04/634884504.db2.gz QVGCBMCWZKLFDH-ZDUSSCGKSA-N 0 3 274.836 3.130 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000876873543 634917781 /nfs/dbraw/zinc/91/77/81/634917781.db2.gz JJNUDFJVKQPZOS-GFCCVEGCSA-N 0 3 296.798 3.232 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCC2(c3ccccc3)CC2)c1 ZINC000876918185 634928944 /nfs/dbraw/zinc/92/89/44/634928944.db2.gz IHBWBSBWTRGVSJ-UHFFFAOYSA-N 0 3 297.789 3.428 20 30 CGEDHN Cc1cccc(F)c1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000877067625 634969719 /nfs/dbraw/zinc/96/97/19/634969719.db2.gz HLSJLEQQDNRZOD-CQSZACIVSA-N 0 3 290.382 3.323 20 30 CGEDHN C#CCCCCCCNCc1nccn1CC(C)C ZINC000877150074 635001876 /nfs/dbraw/zinc/00/18/76/635001876.db2.gz WGEYKLCWWBLNKM-UHFFFAOYSA-N 0 3 261.413 3.212 20 30 CGEDHN C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(F)ccc1[O-] ZINC000840786929 635052605 /nfs/dbraw/zinc/05/26/05/635052605.db2.gz FXBWDEUQQXCEMP-JTQLQIEISA-N 0 3 250.317 3.122 20 30 CGEDHN c1ccc([C@@H]2CC(=NNC34CC(C3)C4)CCN2C2CC2)cc1 ZINC000842544364 635397928 /nfs/dbraw/zinc/39/79/28/635397928.db2.gz SBGTXMXJISXUPN-WHDUELSGSA-N 0 3 295.430 3.484 20 30 CGEDHN C#CCCCNCc1cc(Br)cnc1Cl ZINC000842685613 635440423 /nfs/dbraw/zinc/44/04/23/635440423.db2.gz FJGLLWLDRMECLN-UHFFFAOYSA-N 0 3 287.588 3.001 20 30 CGEDHN C=CC[C@H](C)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000878451137 635514537 /nfs/dbraw/zinc/51/45/37/635514537.db2.gz HRJCPWSYRMPEKS-BLLLJJGKSA-N 0 3 273.355 3.203 20 30 CGEDHN C=CCC1(NCc2nnc(-c3cccc(O)c3)o2)CCCC1 ZINC000878953297 635664648 /nfs/dbraw/zinc/66/46/48/635664648.db2.gz HGXFUNAVZAWKGM-UHFFFAOYSA-N 0 3 299.374 3.421 20 30 CGEDHN C#CC1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000843427014 635671101 /nfs/dbraw/zinc/67/11/01/635671101.db2.gz QWXRFPBDRWMEBJ-VURMDHGXSA-N 0 3 255.361 3.054 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373510 635884280 /nfs/dbraw/zinc/88/42/80/635884280.db2.gz JCXJANQJJBKPKS-BBRMVZONSA-N 0 3 292.810 3.316 20 30 CGEDHN CC(=O)Nc1ccc2c(c1)CN(CCCC(C)(C)C#N)CC2 ZINC000880030466 635902035 /nfs/dbraw/zinc/90/20/35/635902035.db2.gz PRYLFNRTARMRGQ-UHFFFAOYSA-N 0 3 299.418 3.333 20 30 CGEDHN C=Cc1ccccc1NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000880215478 635941318 /nfs/dbraw/zinc/94/13/18/635941318.db2.gz YNBJISSLHAOPHV-UHFFFAOYSA-N 0 3 299.418 3.492 20 30 CGEDHN C#CCC1(O)CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000880480677 636007832 /nfs/dbraw/zinc/00/78/32/636007832.db2.gz BJWSGCANEXGMMJ-MRXNPFEDSA-N 0 3 289.806 3.178 20 30 CGEDHN N#CC(C(=O)CC1=CCCCC1)C(=O)NC1CCCCC1 ZINC000106983933 636402442 /nfs/dbraw/zinc/40/24/42/636402442.db2.gz SMKKPVSLKRYHGS-HNNXBMFYSA-N 0 3 288.391 3.035 20 30 CGEDHN Clc1ccnc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848408695 636570063 /nfs/dbraw/zinc/57/00/63/636570063.db2.gz WLXUPOHZLZYMBI-CYBMUJFWSA-N 0 3 278.787 3.151 20 30 CGEDHN C=CCC[C@H](NCc1nn(C)c2ccccc12)[C@@H]1CCCO1 ZINC000883215961 636591051 /nfs/dbraw/zinc/59/10/51/636591051.db2.gz JDRQURUSMYUUMZ-YJBOKZPZSA-N 0 3 299.418 3.177 20 30 CGEDHN CCCCCCCN(CCS(C)(=O)=O)C(C)(C)C ZINC000131488992 636667680 /nfs/dbraw/zinc/66/76/80/636667680.db2.gz YTNZCGYRXXEXAG-UHFFFAOYSA-N 0 3 277.474 3.102 20 30 CGEDHN C#CC1CCN(Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000848918947 636691803 /nfs/dbraw/zinc/69/18/03/636691803.db2.gz BYESDHLPFGXRLA-UHFFFAOYSA-N 0 3 293.414 3.334 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc3cc(Cl)cnc3o2)C1 ZINC000848923987 636694914 /nfs/dbraw/zinc/69/49/14/636694914.db2.gz MBEYRRKXAGVMCH-LLVKDONJSA-N 0 3 274.751 3.326 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000848924491 636697869 /nfs/dbraw/zinc/69/78/69/636697869.db2.gz UASGJHXQHXBKHB-ZDUSSCGKSA-N 0 3 283.400 3.050 20 30 CGEDHN C=C(C)C[C@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000883391601 636736023 /nfs/dbraw/zinc/73/60/23/636736023.db2.gz OAVZUZBWRHISTL-UKRRQHHQSA-N 0 3 263.381 3.068 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1ccc(C)cc1Cl ZINC000883399677 636741617 /nfs/dbraw/zinc/74/16/17/636741617.db2.gz SVDQTPVGMKXNMF-ZDUSSCGKSA-N 0 3 253.773 3.065 20 30 CGEDHN CC(C)(C)[N@@H+]1CC[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000849170588 636763123 /nfs/dbraw/zinc/76/31/23/636763123.db2.gz NGIOFBZBAYSOON-LFMVTYOGSA-N 0 3 280.799 3.337 20 30 CGEDHN CC(C)(C)[N@H+]1CC[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000849170588 636763133 /nfs/dbraw/zinc/76/31/33/636763133.db2.gz NGIOFBZBAYSOON-LFMVTYOGSA-N 0 3 280.799 3.337 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@]2(C)CCCO2)c([O-])c1 ZINC000132414415 636806878 /nfs/dbraw/zinc/80/68/78/636806878.db2.gz RTRACPAUNZQRLH-BOFQVRIASA-N 0 3 290.407 3.226 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cc3ccccc3o2)CC1 ZINC001006370887 636865654 /nfs/dbraw/zinc/86/56/54/636865654.db2.gz TWXFFDFEIIITOU-UHFFFAOYSA-N 0 3 298.386 3.155 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)CCCCC1 ZINC000850550209 637118202 /nfs/dbraw/zinc/11/82/02/637118202.db2.gz NMXSSTXSWOQHEL-MCIONIFRSA-N 0 3 296.505 3.430 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@H]1C[C@@]12CCOC2 ZINC000885963893 637335596 /nfs/dbraw/zinc/33/55/96/637335596.db2.gz RUBAVJYKOYKGOT-NVXWUHKLSA-N 0 3 275.367 3.240 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1C[C@]12CCOC2 ZINC000886028115 637374113 /nfs/dbraw/zinc/37/41/13/637374113.db2.gz MJQDSJYFKGAJSL-RDGPPVDQSA-N 0 3 296.414 3.185 20 30 CGEDHN C#CCOCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000851716055 637472038 /nfs/dbraw/zinc/47/20/38/637472038.db2.gz FQVHTVCCNUYFPF-OAHLLOKOSA-N 0 3 263.768 3.127 20 30 CGEDHN C#CCOCCN1CCC[C@H]1c1ccccc1Cl ZINC000851731841 637481047 /nfs/dbraw/zinc/48/10/47/637481047.db2.gz ZLDPOYSRPWKOAD-HNNXBMFYSA-N 0 3 263.768 3.127 20 30 CGEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886355526 637510842 /nfs/dbraw/zinc/51/08/42/637510842.db2.gz JWACMTHILZWRKL-IRXDYDNUSA-N 0 3 298.430 3.284 20 30 CGEDHN C#CC[C@H]1CCN([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000886357821 637511392 /nfs/dbraw/zinc/51/13/92/637511392.db2.gz MHPLQTHCBDGRLD-CABCVRRESA-N 0 3 295.386 3.451 20 30 CGEDHN C#CCOCCN[C@@H](CCC)c1ccc(F)cc1F ZINC000851905416 637540715 /nfs/dbraw/zinc/54/07/15/637540715.db2.gz GAFYSIWNUOCILO-HNNXBMFYSA-N 0 3 267.319 3.045 20 30 CGEDHN C#C[C@H](C)N(C)CCSc1ccc(F)cc1F ZINC000851989500 637564840 /nfs/dbraw/zinc/56/48/40/637564840.db2.gz JQIDHEMKNIZTPW-JTQLQIEISA-N 0 3 255.333 3.010 20 30 CGEDHN C#CCN(C(=O)[C@H](C)CCC(C)(C)C)C1CCN(C)CC1 ZINC000886578769 637590540 /nfs/dbraw/zinc/59/05/40/637590540.db2.gz KUJYILHPWPUSBH-OAHLLOKOSA-N 0 3 292.467 3.005 20 30 CGEDHN C#C[C@](C)(CC)NCc1cc(F)cc2cccnc21 ZINC000852099402 637593101 /nfs/dbraw/zinc/59/31/01/637593101.db2.gz LKLLEVBWBUGTHW-MRXNPFEDSA-N 0 3 256.324 3.265 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cccc(SC(=O)N(C)C)c1 ZINC000852100806 637593984 /nfs/dbraw/zinc/59/39/84/637593984.db2.gz AZTAXCBTZKFQSM-INIZCTEOSA-N 0 3 290.432 3.352 20 30 CGEDHN C#C[C@](C)(CC)NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000852101230 637595573 /nfs/dbraw/zinc/59/55/73/637595573.db2.gz OTMORTSDTBZFSL-GOSISDBHSA-N 0 3 283.371 3.301 20 30 CGEDHN C#CCCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852126935 637601187 /nfs/dbraw/zinc/60/11/87/637601187.db2.gz KCMGHHHFQGWMMC-JTQLQIEISA-N 0 3 261.756 3.232 20 30 CGEDHN C#Cc1cccnc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000853154845 637773075 /nfs/dbraw/zinc/77/30/75/637773075.db2.gz HAPUGORLLLDGTO-GOSISDBHSA-N 0 3 291.398 3.139 20 30 CGEDHN C#C[C@H](NCc1ccc(F)c(Br)c1)C(C)C ZINC000300967871 637857391 /nfs/dbraw/zinc/85/73/91/637857391.db2.gz RTFGVRKBPWXVOJ-ZDUSSCGKSA-N 0 3 284.172 3.336 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](CC(C)(C)C)CC1=O ZINC000853598204 637871902 /nfs/dbraw/zinc/87/19/02/637871902.db2.gz OKXLLHPIENJBAF-HRCADAONSA-N 0 3 290.451 3.412 20 30 CGEDHN CCCCCCCC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000855166470 638150456 /nfs/dbraw/zinc/15/04/56/638150456.db2.gz KAGNUCPGVWMNOZ-AWEZNQCLSA-N 0 3 268.445 3.336 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H]1CC1(F)F ZINC000856802184 638391460 /nfs/dbraw/zinc/39/14/60/638391460.db2.gz CQAODNRJFBTVJU-LLVKDONJSA-N 0 3 299.748 3.487 20 30 CGEDHN Cc1ccc(N2CC[C@@H](N[C@H](C)CC(C)(C)C#N)C2=O)cc1 ZINC000925469625 638506315 /nfs/dbraw/zinc/50/63/15/638506315.db2.gz YOXKEBUTBCXRRL-GDBMZVCRSA-N 0 3 299.418 3.018 20 30 CGEDHN C#CC[C@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000858335540 638685080 /nfs/dbraw/zinc/68/50/80/638685080.db2.gz XGRPJUGJZRFPJU-GOSISDBHSA-N 0 3 295.382 3.187 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2c(Cl)ccnc21 ZINC000926530922 638781793 /nfs/dbraw/zinc/78/17/93/638781793.db2.gz CZMPPFRFXBGUOK-ILXRZTDVSA-N 0 3 292.810 3.436 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H]1COCc2cccc(Cl)c21 ZINC000926611967 638790958 /nfs/dbraw/zinc/79/09/58/638790958.db2.gz VETOMGDRHXVORM-GLQYFDAESA-N 0 3 293.794 3.092 20 30 CGEDHN Cc1ncc([C@H](C)N[C@@H](C)CC(C)(C)C#N)s1 ZINC000926784016 638811406 /nfs/dbraw/zinc/81/14/06/638811406.db2.gz CZVADIGZRQBXKR-UWVGGRQHSA-N 0 3 251.399 3.431 20 30 CGEDHN COC/C(C)=C/CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000929367390 638921511 /nfs/dbraw/zinc/92/15/11/638921511.db2.gz LBKMPJPWXMAALA-NTEUORMPSA-N 0 3 270.376 3.115 20 30 CGEDHN CC[C@H]1CN(CCCCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000930851903 639075879 /nfs/dbraw/zinc/07/58/79/639075879.db2.gz KQYMJTYUFUVHBQ-GJZGRUSLSA-N 0 3 264.413 3.350 20 30 CGEDHN CCN(CC1CCC(C#N)CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000930920325 639086660 /nfs/dbraw/zinc/08/66/60/639086660.db2.gz XEOZLFPHZXYKRF-NFOMZHRRSA-N 0 3 294.439 3.368 20 30 CGEDHN CC1(C)CN(Cc2cncc(C#N)c2)CCc2ccccc21 ZINC000930927949 639087272 /nfs/dbraw/zinc/08/72/72/639087272.db2.gz NEKFRISAXAQDPE-UHFFFAOYSA-N 0 3 291.398 3.289 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913923 639229456 /nfs/dbraw/zinc/22/94/56/639229456.db2.gz QLMPVLITSRVTLA-NXEZZACHSA-N 0 3 264.266 3.045 20 30 CGEDHN C=CCN1CCC(NC(=O)CC2(C=C)CCCCC2)CC1 ZINC000932140713 639273394 /nfs/dbraw/zinc/27/33/94/639273394.db2.gz GFJYGEXQXYPVJS-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cc3c(cccc3C)o2)CC1 ZINC000932141046 639274221 /nfs/dbraw/zinc/27/42/21/639274221.db2.gz NTQZHBYGUOZSOZ-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccccc2C2CCC2)CC1 ZINC000932144453 639274271 /nfs/dbraw/zinc/27/42/71/639274271.db2.gz RYJKVRAORXEDAF-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN CC(C)(C#N)CCCCN[C@@H](c1ncccn1)C1CC1 ZINC000932355188 639321164 /nfs/dbraw/zinc/32/11/64/639321164.db2.gz RADXYBQRRWUFEO-CQSZACIVSA-N 0 3 272.396 3.237 20 30 CGEDHN C[C@@H](COCC1CCCCC1)NCc1cncc(C#N)c1 ZINC000932423360 639329396 /nfs/dbraw/zinc/32/93/96/639329396.db2.gz RITKFEXPDGBYRF-AWEZNQCLSA-N 0 3 287.407 3.028 20 30 CGEDHN CCc1nocc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607193 639468325 /nfs/dbraw/zinc/46/83/25/639468325.db2.gz NVWUPJFTCMSIGY-UHFFFAOYSA-N 0 3 295.386 3.488 20 30 CGEDHN Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)c(C)c1 ZINC000933644781 639473710 /nfs/dbraw/zinc/47/37/10/639473710.db2.gz FFFCNWDCECMVLZ-UHFFFAOYSA-N 0 3 285.387 3.141 20 30 CGEDHN CC(C)N1CCC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000935027701 639734938 /nfs/dbraw/zinc/73/49/38/639734938.db2.gz QGHADOSAKBJVQF-SJORKVTESA-N 0 3 299.418 3.020 20 30 CGEDHN CCO[C@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000194484479 640535937 /nfs/dbraw/zinc/53/59/37/640535937.db2.gz FTCJYIQDELCUAD-PBHICJAKSA-N 0 3 280.327 3.036 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001007299878 640940410 /nfs/dbraw/zinc/94/04/10/640940410.db2.gz RYPKNIVFFKOWFC-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001007844506 640945767 /nfs/dbraw/zinc/94/57/67/640945767.db2.gz KWGOHJSYMGUHQQ-CYBMUJFWSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001017664530 641015038 /nfs/dbraw/zinc/01/50/38/641015038.db2.gz IMZPVUGKSXATKL-HRCADAONSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001019332653 641032914 /nfs/dbraw/zinc/03/29/14/641032914.db2.gz UPECOTWPPAGFJO-GOEBONIOSA-N 0 3 292.448 3.041 20 30 CGEDHN COc1cc(CN2CCC(CC#N)CC2)cc2c1OCC=C2 ZINC001250512827 805666475 /nfs/dbraw/zinc/66/64/75/805666475.db2.gz ODQGWEVAOXFHQO-UHFFFAOYSA-N 0 3 298.386 3.226 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001157486743 805820940 /nfs/dbraw/zinc/82/09/40/805820940.db2.gz ARSPKKSBTCACQY-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCN(C2CCC2)CC1 ZINC001252121811 806008569 /nfs/dbraw/zinc/00/85/69/806008569.db2.gz MGHNMSKLKIBZEW-GOSISDBHSA-N 0 3 296.499 3.268 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001253234850 806188556 /nfs/dbraw/zinc/18/85/56/806188556.db2.gz GDKUDPFQDZGWNB-YHUYYLMFSA-N 0 3 269.404 3.164 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1c(C)noc1C ZINC001253249035 806195673 /nfs/dbraw/zinc/19/56/73/806195673.db2.gz GKLWGTAFDCYQRJ-HNNXBMFYSA-N 0 3 280.412 3.269 20 30 CGEDHN CC(C)C[C@@H](C#N)Nc1ccc(CN2CCCC2)cn1 ZINC001160363957 806260794 /nfs/dbraw/zinc/26/07/94/806260794.db2.gz VNNKXCVPQSUKNH-HNNXBMFYSA-N 0 3 272.396 3.028 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC(C)=C(C)C)CC1 ZINC001160882241 806315170 /nfs/dbraw/zinc/31/51/70/806315170.db2.gz HYXVXDCVGMJMQC-UHFFFAOYSA-N 0 3 276.424 3.057 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cc(SCC)ccn1 ZINC001160957670 806328908 /nfs/dbraw/zinc/32/89/08/806328908.db2.gz ONUNQSYIBVWMFX-ZDUSSCGKSA-N 0 3 277.437 3.256 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001161390996 806373104 /nfs/dbraw/zinc/37/31/04/806373104.db2.gz NDSZMFZVXYQHAK-OAHLLOKOSA-N 0 3 292.467 3.383 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CO)c2ccc(Cl)c(Cl)c2)C1 ZINC001254653468 806475671 /nfs/dbraw/zinc/47/56/71/806475671.db2.gz NXFQHYQXNHELFA-UDZFHETQSA-N 0 3 299.201 3.309 20 30 CGEDHN COC(=O)c1cccc([C@@H]2CCCN2[C@H]2CC[C@@H](C#N)C2)c1 ZINC001254675481 806483365 /nfs/dbraw/zinc/48/33/65/806483365.db2.gz FTFZNQSIMCECTN-COXVUDFISA-N 0 3 298.386 3.302 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1CCCCCCC1 ZINC001162257222 806543062 /nfs/dbraw/zinc/54/30/62/806543062.db2.gz MSPYDCRVNOYDIM-UHFFFAOYSA-N 0 3 286.847 3.195 20 30 CGEDHN CC[C@H](CC#N)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255152639 806555033 /nfs/dbraw/zinc/55/50/33/806555033.db2.gz ZOPIZIHKLQMPJE-CYBMUJFWSA-N 0 3 295.427 3.058 20 30 CGEDHN CC[C@H](CC#N)NC1([C@H]2CCOC(C)(C)C2)CC1 ZINC001255164839 806562738 /nfs/dbraw/zinc/56/27/38/806562738.db2.gz RPYUIOROYNADPG-QWHCGFSZSA-N 0 3 250.386 3.006 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000037748478 798873529 /nfs/dbraw/zinc/87/35/29/798873529.db2.gz DIRAFCBOXHVYIC-ZDUSSCGKSA-N 0 3 278.355 3.344 20 30 CGEDHN CC(C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128765084 799019591 /nfs/dbraw/zinc/01/95/91/799019591.db2.gz XWCPMALUNUKEAW-CQSZACIVSA-N 0 3 280.327 3.143 20 30 CGEDHN CC(C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129686362 799023511 /nfs/dbraw/zinc/02/35/11/799023511.db2.gz NSTDJECIXPXZRY-SECBINFHSA-N 0 3 299.157 3.297 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCc1ccc(OC)cc1 ZINC000163365906 799082237 /nfs/dbraw/zinc/08/22/37/799082237.db2.gz VMEAISBFPNGOEZ-LBPRGKRZSA-N 0 3 253.773 3.358 20 30 CGEDHN N#Cc1cc(F)cc(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000163626056 799083649 /nfs/dbraw/zinc/08/36/49/799083649.db2.gz JVPZQTUAGLUWJV-ZBFHGGJFSA-N 0 3 258.340 3.462 20 30 CGEDHN N#CC1CCN([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255712155 806715077 /nfs/dbraw/zinc/71/50/77/806715077.db2.gz ZHJFWRAAINNJIO-RYUDHWBXSA-N 0 3 260.303 3.343 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C2CCCCC2)CC1 ZINC001163206075 806721759 /nfs/dbraw/zinc/72/17/59/806721759.db2.gz DPHNHSUZUAXWHJ-UHFFFAOYSA-N 0 3 298.858 3.195 20 30 CGEDHN N#Cc1cc2c(cccc2N[C@@H]2CNCc3ccsc32)[nH]1 ZINC001163230633 806731874 /nfs/dbraw/zinc/73/18/74/806731874.db2.gz YSRIHDKOQLORQH-OAHLLOKOSA-N 0 3 294.383 3.357 20 30 CGEDHN N#CCc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000399130104 799535738 /nfs/dbraw/zinc/53/57/38/799535738.db2.gz WMUSNKDHOXFASE-CYBMUJFWSA-N 0 3 268.282 3.137 20 30 CGEDHN C[C@@H](Cc1ccccc1F)N1CCC(C)(C#N)CC1 ZINC001255854637 806770885 /nfs/dbraw/zinc/77/08/85/806770885.db2.gz QKCQPBGLEZBXMJ-ZDUSSCGKSA-N 0 3 260.356 3.382 20 30 CGEDHN C#C[C@H](NCc1c[nH]nc1-c1ccccc1)C(C)(C)C ZINC000702294385 799908709 /nfs/dbraw/zinc/90/87/09/799908709.db2.gz MXYDAZSLDRIBPE-HNNXBMFYSA-N 0 3 267.376 3.214 20 30 CGEDHN C#CC[C@H](COC)N[C@H](C)c1cc2ccccc2o1 ZINC000716812325 800181811 /nfs/dbraw/zinc/18/18/11/800181811.db2.gz SGOBSKHVYYTZPV-TZMCWYRMSA-N 0 3 257.333 3.122 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@@]1(C)CC1(F)F ZINC000850379868 800517850 /nfs/dbraw/zinc/51/78/50/800517850.db2.gz ZFGNWNRVQHEFJN-CQSZACIVSA-N 0 3 299.748 3.487 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccccc1C ZINC001024307469 800722894 /nfs/dbraw/zinc/72/28/94/800722894.db2.gz WFGNVZONKIKTKX-INIZCTEOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745179 800735364 /nfs/dbraw/zinc/73/53/64/800735364.db2.gz PRPCIKYNOIJWLH-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C[C@@H](CC#N)NC1CCN(c2ccc(Cl)cc2)CC1 ZINC001256304360 806858412 /nfs/dbraw/zinc/85/84/12/806858412.db2.gz KPKXDNDRRPFGLF-LBPRGKRZSA-N 0 3 277.799 3.201 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027891431 800826877 /nfs/dbraw/zinc/82/68/77/800826877.db2.gz XCZDNCZCNJDHHS-ARFHVFGLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001028223239 800835183 /nfs/dbraw/zinc/83/51/83/800835183.db2.gz CZPLIKZTFQURFB-ULQDDVLXSA-N 0 3 292.467 3.215 20 30 CGEDHN Cc1cc(CN)nn1-c1ccc(C2(C#N)CCCCC2)cc1 ZINC001163984820 806869178 /nfs/dbraw/zinc/86/91/78/806869178.db2.gz CJHMGVWGDVQURH-UHFFFAOYSA-N 0 3 294.402 3.365 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCCCC1 ZINC001032371212 800926658 /nfs/dbraw/zinc/92/66/58/800926658.db2.gz ISJKSVNEHQIOAB-IRXDYDNUSA-N 0 3 288.435 3.128 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(C)(C)C1 ZINC001032583547 800932743 /nfs/dbraw/zinc/93/27/43/800932743.db2.gz RRJUJDCLRYGBJS-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888228 800944021 /nfs/dbraw/zinc/94/40/21/800944021.db2.gz KNFHAQNTXBWNGO-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033181221 800954438 /nfs/dbraw/zinc/95/44/38/800954438.db2.gz GVRLFNFVIYKGFL-IRXDYDNUSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033601214 800970240 /nfs/dbraw/zinc/97/02/40/800970240.db2.gz LMRGTFIYYBXGBS-ULQDDVLXSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034275094 801014239 /nfs/dbraw/zinc/01/42/39/801014239.db2.gz ABMKRMHQYNGGKW-UPTPFMHGSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@H]21 ZINC001042339995 801205218 /nfs/dbraw/zinc/20/52/18/801205218.db2.gz DADUWXQEXLYVPS-SJLPKXTDSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001046727091 801320871 /nfs/dbraw/zinc/32/08/71/801320871.db2.gz XQBWCSQALDDQJR-JFIYKMOQSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccsc2Cl)C1 ZINC001046672991 801322208 /nfs/dbraw/zinc/32/22/08/801322208.db2.gz BTEZKWZDIRVYJU-CQSZACIVSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001046775993 801323369 /nfs/dbraw/zinc/32/33/69/801323369.db2.gz XKCVAPFMPJNUEK-LJQANCHMSA-N 0 3 296.414 3.026 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001046775992 801323930 /nfs/dbraw/zinc/32/39/30/801323930.db2.gz XKCVAPFMPJNUEK-IBGZPJMESA-N 0 3 296.414 3.026 20 30 CGEDHN C[C@H]1CN(c2cc(F)ccc2C#N)CCN1C1CCCC1 ZINC001164145830 806901670 /nfs/dbraw/zinc/90/16/70/806901670.db2.gz HQOQFWKCAFDUSL-ZDUSSCGKSA-N 0 3 287.382 3.150 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C)ccc2C)C1 ZINC001046796668 801325530 /nfs/dbraw/zinc/32/55/30/801325530.db2.gz NMAVBOBWRKCGIN-GOSISDBHSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc(Cl)c2)C1 ZINC001046791865 801326189 /nfs/dbraw/zinc/32/61/89/801326189.db2.gz OGUUVCCXXIQLEY-MRXNPFEDSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049300587 801362274 /nfs/dbraw/zinc/36/22/74/801362274.db2.gz COMVUOOXHSZXND-KBPBESRZSA-N 0 3 290.432 3.003 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCCCC1 ZINC001049696020 801383904 /nfs/dbraw/zinc/38/39/04/801383904.db2.gz WZOJFRXOPVXURQ-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C=C)cc1 ZINC001049743461 801387278 /nfs/dbraw/zinc/38/72/78/801387278.db2.gz PWQBQIQRSUXLAP-MSOLQXFVSA-N 0 3 296.414 3.195 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)(CC)CC ZINC001049815666 801388051 /nfs/dbraw/zinc/38/80/51/801388051.db2.gz QIBYBKNLBUZZOS-HZPDHXFCSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(C[C@H](F)CC)CC2)C1 ZINC001052693684 801449002 /nfs/dbraw/zinc/44/90/02/801449002.db2.gz XFMDZQYQFRSOJS-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071391749 801532731 /nfs/dbraw/zinc/53/27/31/801532731.db2.gz MULBESFBUHARQP-GOEBONIOSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071488127 801540858 /nfs/dbraw/zinc/54/08/58/801540858.db2.gz PUPQSUUOIKTHHQ-BBRMVZONSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@@H]1C ZINC001072006387 801558310 /nfs/dbraw/zinc/55/83/10/801558310.db2.gz SNSMZHCLGHWBLU-LUKYLMHMSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001081027139 801660029 /nfs/dbraw/zinc/66/00/29/801660029.db2.gz ACUSWBJNJOJOBQ-PRLABOORSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001084173184 801665340 /nfs/dbraw/zinc/66/53/40/801665340.db2.gz IGOFJCSCOTURLL-IAGOWNOFSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001084796764 801672459 /nfs/dbraw/zinc/67/24/59/801672459.db2.gz QUXKJQUVEMSXKI-SJLPKXTDSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616404 801698150 /nfs/dbraw/zinc/69/81/50/801698150.db2.gz LRFZONSJIMBSGK-AWEZNQCLSA-N 0 3 292.448 3.087 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001086469601 801728409 /nfs/dbraw/zinc/72/84/09/801728409.db2.gz PQHUYNPCPVWLAY-AJNGGQMLSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C=C2CCC2)C1 ZINC001088294045 801781172 /nfs/dbraw/zinc/78/11/72/801781172.db2.gz NLNPIEXFHKFZEI-HNNXBMFYSA-N 0 3 296.842 3.210 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)=C1CCCC1)C2 ZINC001095298236 801882015 /nfs/dbraw/zinc/88/20/15/801882015.db2.gz OHFLZBCTSNKYSR-IKGGRYGDSA-N 0 3 288.435 3.175 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(C)c1)C2 ZINC001096476194 801889125 /nfs/dbraw/zinc/88/91/25/801889125.db2.gz COCNMGCIEIFDGF-SQNIBIBYSA-N 0 3 298.430 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001099164671 801929854 /nfs/dbraw/zinc/92/98/54/801929854.db2.gz FWUBFNPBQRBTDU-QAPCUYQASA-N 0 3 290.451 3.136 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)CN1CC(=C)C ZINC001099171913 801931895 /nfs/dbraw/zinc/93/18/95/801931895.db2.gz WNOJJYYOGGQLBF-HNNXBMFYSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C/C=C(\C)C=C ZINC001099181518 801931909 /nfs/dbraw/zinc/93/19/09/801931909.db2.gz AOKSGDGYIQWMLU-AHQMPEJBSA-N 0 3 290.451 3.302 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001099176617 801932898 /nfs/dbraw/zinc/93/28/98/801932898.db2.gz QYKLUXDYMGXIRK-CABCVRRESA-N 0 3 298.446 3.163 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001099230091 801935079 /nfs/dbraw/zinc/93/50/79/801935079.db2.gz QQCGDMVCAICSFB-HNNXBMFYSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001109046267 802105835 /nfs/dbraw/zinc/10/58/35/802105835.db2.gz LSUSJOBLGYNXSC-SQNIBIBYSA-N 0 3 298.430 3.183 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109590863 802117541 /nfs/dbraw/zinc/11/75/41/802117541.db2.gz FYJJRLSXRFNGCC-PMPSAXMXSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113243614 802209553 /nfs/dbraw/zinc/20/95/53/802209553.db2.gz LLSNMBSUVOGCIW-DLBZAZTESA-N 0 3 294.483 3.415 20 30 CGEDHN C=CCCCC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113282117 802213025 /nfs/dbraw/zinc/21/30/25/802213025.db2.gz LGTXFAIKWLBROJ-MRXNPFEDSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCCCC ZINC001114662576 802242439 /nfs/dbraw/zinc/24/24/39/802242439.db2.gz MGPKXUVUHNSZOJ-MWDXBVQZSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)c2ccoc2)CCCCC1 ZINC001115406844 802260459 /nfs/dbraw/zinc/26/04/59/802260459.db2.gz KGMYSTBSQADZJI-UHFFFAOYSA-N 0 3 296.798 3.054 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H]2C[C@@H]2C)CCCCC1 ZINC001115711056 802273597 /nfs/dbraw/zinc/27/35/97/802273597.db2.gz TZYXJIJTFVULRG-JSGCOSHPSA-N 0 3 298.858 3.194 20 30 CGEDHN CS[C@H]1CC[C@@H](N(C)CC#Cc2ccccc2)C1 ZINC001119929103 802708647 /nfs/dbraw/zinc/70/86/47/802708647.db2.gz JDKAJHRETPXTEB-CVEARBPZSA-N 0 3 259.418 3.254 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H]([C@H]2CCCN2CCF)C1 ZINC001120423442 802744155 /nfs/dbraw/zinc/74/41/55/802744155.db2.gz UOAFJZZQIZRENE-HZPDHXFCSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC=C)Cc1ccccc1F ZINC001121933915 802851998 /nfs/dbraw/zinc/85/19/98/802851998.db2.gz YLXBEEYNAKOOEI-INIZCTEOSA-N 0 3 290.382 3.024 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC001121961464 802853547 /nfs/dbraw/zinc/85/35/47/802853547.db2.gz JTIMEGWAUWMSEL-CABCVRRESA-N 0 3 296.361 3.216 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1ccoc1C1CC1 ZINC001123234627 802920639 /nfs/dbraw/zinc/92/06/39/802920639.db2.gz YTYYZKCPBVRDPO-SNVBAGLBSA-N 0 3 289.722 3.034 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1coc(C(F)F)c1 ZINC001123337868 802931126 /nfs/dbraw/zinc/93/11/26/802931126.db2.gz VJNQKEQKJNQAEX-SSDOTTSWSA-N 0 3 299.664 3.094 20 30 CGEDHN COc1ccc(-c2ccc(OC)c(CN(C)C)c2)c(C#N)c1 ZINC001243730996 802971239 /nfs/dbraw/zinc/97/12/39/802971239.db2.gz PDVXJWNFNZNNQG-UHFFFAOYSA-N 0 3 296.370 3.304 20 30 CGEDHN N#C[C@@H]1CC=C(c2ncccc2CN2CCCC2)CC1 ZINC001243798882 803017056 /nfs/dbraw/zinc/01/70/56/803017056.db2.gz UERVBPYFTXUBFJ-CQSZACIVSA-N 0 3 267.376 3.384 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@@H]1C ZINC001132079057 803372571 /nfs/dbraw/zinc/37/25/71/803372571.db2.gz SIESZWIKVPPRSH-GXTWGEPZSA-N 0 3 298.858 3.310 20 30 CGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132223569 803382398 /nfs/dbraw/zinc/38/23/98/803382398.db2.gz FCUGIPHRSLPETH-DMNRVOQQSA-N 0 3 276.424 3.054 20 30 CGEDHN C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)N(CC(=C)C)C2)CC1 ZINC001132277216 803389767 /nfs/dbraw/zinc/38/97/67/803389767.db2.gz CQPZKYPHQQSCLH-CVEARBPZSA-N 0 3 290.451 3.278 20 30 CGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132416147 803402696 /nfs/dbraw/zinc/40/26/96/803402696.db2.gz AOUMIVBBPSJVGI-CVEARBPZSA-N 0 3 292.467 3.051 20 30 CGEDHN N#CCCc1cccc(C2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001245424844 803734165 /nfs/dbraw/zinc/73/41/65/803734165.db2.gz OFAPBURVOAJNIX-IBGZPJMESA-N 0 3 296.414 3.411 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C)[C@@H](C)C2)c(C#N)c1 ZINC001137699505 803760160 /nfs/dbraw/zinc/76/01/60/803760160.db2.gz JWEAHTWLYKARTK-KBPBESRZSA-N 0 3 272.392 3.435 20 30 CGEDHN CCOc1ccc(CN2CCC(S)CC2)cc1OCC ZINC001138974253 804094933 /nfs/dbraw/zinc/09/49/33/804094933.db2.gz LQETVHFAOPNOIG-UHFFFAOYSA-N 0 3 295.448 3.378 20 30 CGEDHN CCOc1ccc(CN2CCC(S)CC2)c(OCC)c1 ZINC001138980448 804097678 /nfs/dbraw/zinc/09/76/78/804097678.db2.gz ZIYZFGKTINFPJT-UHFFFAOYSA-N 0 3 295.448 3.378 20 30 CGEDHN C=CCCN(Cc1cnc(N)s1)Cc1ccccc1 ZINC001139228708 804168108 /nfs/dbraw/zinc/16/81/08/804168108.db2.gz NNYRFPRGHNLNAW-UHFFFAOYSA-N 0 3 273.405 3.304 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC001140546015 804458130 /nfs/dbraw/zinc/45/81/30/804458130.db2.gz SVFGKUJXTJEAMM-HNNXBMFYSA-N 0 3 281.334 3.082 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(N2CCOCC2)cc1F ZINC001140663900 804487622 /nfs/dbraw/zinc/48/76/22/804487622.db2.gz SBAMVAHGCMGTSI-UHFFFAOYSA-N 0 3 292.398 3.060 20 30 CGEDHN N#Cc1c(F)cc(CN2C[C@H]3CCCC[C@@H]3C2)cc1F ZINC001140752525 804504715 /nfs/dbraw/zinc/50/47/15/804504715.db2.gz LOBAHUIZZFBXQR-CHWSQXEVSA-N 0 3 276.330 3.458 20 30 CGEDHN CSc1nc(CN(C)C[C@H]2CC2(C)C)ccc1C#N ZINC001141941491 804679918 /nfs/dbraw/zinc/67/99/18/804679918.db2.gz MAYQGFBEWZLAIT-GFCCVEGCSA-N 0 3 275.421 3.153 20 30 CGEDHN CSc1nc(CN(CC2CC2)C2CC2)ccc1C#N ZINC001141945974 804682280 /nfs/dbraw/zinc/68/22/80/804682280.db2.gz UPTIJFFSVVMCHK-UHFFFAOYSA-N 0 3 273.405 3.050 20 30 CGEDHN Cc1nn(C(C)(C)C)c(C)c1CN1CCC(S)CC1 ZINC001142178135 804700696 /nfs/dbraw/zinc/70/06/96/804700696.db2.gz DNENUWKVCHMXFK-UHFFFAOYSA-N 0 3 281.469 3.149 20 30 CGEDHN N#Cc1coc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001256806368 806981221 /nfs/dbraw/zinc/98/12/21/806981221.db2.gz ZRLZDMKVPDUMFN-NVXWUHKLSA-N 0 3 282.343 3.161 20 30 CGEDHN C[C@H]1C[C@@H](CF)N(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911862 804783528 /nfs/dbraw/zinc/78/35/28/804783528.db2.gz MCYVPGKHELCEFW-FZMZJTMJSA-N 0 3 271.339 3.219 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](OCc3ccccc3)C2)cc1 ZINC001144573629 805009145 /nfs/dbraw/zinc/00/91/45/805009145.db2.gz NSRHEVQXEJTKJJ-FQEVSTJZSA-N 0 3 291.394 3.459 20 30 CGEDHN C[C@]1(CF)CCN(Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249427024 805146434 /nfs/dbraw/zinc/14/64/34/805146434.db2.gz NYTWQNGRTHDKCL-MRXNPFEDSA-N 0 3 271.339 3.221 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC4(CCCO4)CC3)[nH]c2c1 ZINC001249429308 805147648 /nfs/dbraw/zinc/14/76/48/805147648.db2.gz WAMTZMCXLGSJOG-UHFFFAOYSA-N 0 3 295.386 3.185 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001167377777 807188979 /nfs/dbraw/zinc/18/89/79/807188979.db2.gz WJYNZSAVBKBSMY-GXTWGEPZSA-N 0 3 298.858 3.051 20 30 CGEDHN Cc1c2[nH]cnc2ccc1NCCc1ccc(C#N)cc1 ZINC001167679637 807226109 /nfs/dbraw/zinc/22/61/09/807226109.db2.gz XHQFTPDKYWBPQY-UHFFFAOYSA-N 0 3 276.343 3.398 20 30 CGEDHN CCCN(CCC#N)C1CCC(CC(=O)OCC)CC1 ZINC001258035272 807269793 /nfs/dbraw/zinc/26/97/93/807269793.db2.gz JHIXHWGRDXUETA-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168610107 807456513 /nfs/dbraw/zinc/45/65/13/807456513.db2.gz QCWZGKUHSJTOHX-VYDXJSESSA-N 0 3 288.391 3.197 20 30 CGEDHN CC1(C)CC[C@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001258594205 807494530 /nfs/dbraw/zinc/49/45/30/807494530.db2.gz DDPLGGPJODIAGO-JTQLQIEISA-N 0 3 251.761 3.019 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001258724657 807572136 /nfs/dbraw/zinc/57/21/36/807572136.db2.gz BSPPGGBUYNIXSR-CQSZACIVSA-N 0 3 294.439 3.426 20 30 CGEDHN C=CCC[C@@H](C)N(CC(=O)OCC)C1CCCC1 ZINC001258732961 807578789 /nfs/dbraw/zinc/57/87/89/807578789.db2.gz FNAJMLJZIUECPM-CYBMUJFWSA-N 0 3 253.386 3.149 20 30 CGEDHN CC(C)(CC#N)CNCc1ccccc1N1CCCC1 ZINC001261298761 807736262 /nfs/dbraw/zinc/73/62/62/807736262.db2.gz TWZCHTMSDCLVKH-UHFFFAOYSA-N 0 3 271.408 3.316 20 30 CGEDHN C=CCN(CC=C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170347151 807827508 /nfs/dbraw/zinc/82/75/08/807827508.db2.gz QSRZTEYKFFXLPL-CYBMUJFWSA-N 0 3 290.363 3.208 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC(C)C)cc1C ZINC001263075928 807930783 /nfs/dbraw/zinc/93/07/83/807930783.db2.gz GWABZUMFSLMLFK-OAHLLOKOSA-N 0 3 290.407 3.404 20 30 CGEDHN CC1(C#N)CCN([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000532 807955053 /nfs/dbraw/zinc/95/50/53/807955053.db2.gz JBOYNNHHUKXHOH-CQSZACIVSA-N 0 3 272.367 3.309 20 30 CGEDHN CCCCc1cccc(NC(=N)c2ccc(C(N)=O)cc2)c1 ZINC001171258544 808016600 /nfs/dbraw/zinc/01/66/00/808016600.db2.gz DAWBTISCUKCRIZ-UHFFFAOYSA-N 0 3 295.386 3.165 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001264384360 808065188 /nfs/dbraw/zinc/06/51/88/808065188.db2.gz UYCDEUWONXZCFT-GASCZTMLSA-N 0 3 298.858 3.194 20 30 CGEDHN CC(C)C[C@H](C#N)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171735461 808128556 /nfs/dbraw/zinc/12/85/56/808128556.db2.gz WIZSDFSROAULPI-JQHSSLGASA-N 0 3 285.435 3.177 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1[C@H](C)NCCF ZINC001265995931 808199719 /nfs/dbraw/zinc/19/97/19/808199719.db2.gz AAJBHVKBRSYNDB-GOEBONIOSA-N 0 3 296.430 3.084 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@@H]1c1ncccn1 ZINC001172317063 808226398 /nfs/dbraw/zinc/22/63/98/808226398.db2.gz PFPWSIDSYZCFTC-WMLDXEAASA-N 0 3 292.386 3.116 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1cccc2ccccc21 ZINC001266434603 808264321 /nfs/dbraw/zinc/26/43/21/808264321.db2.gz GVSAZIJKJJWBQW-UHFFFAOYSA-N 0 3 282.387 3.078 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001266486831 808273840 /nfs/dbraw/zinc/27/38/40/808273840.db2.gz VPPYPTHBNTVGBV-IYBDPMFKSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001266853440 808322951 /nfs/dbraw/zinc/32/29/51/808322951.db2.gz MINHWQIMYSCSDH-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN COc1cc(F)c(CN[C@H](C)CCCC#N)c(F)c1 ZINC001172483922 808346315 /nfs/dbraw/zinc/34/63/15/808346315.db2.gz WJKBIXBMQLNRDH-SNVBAGLBSA-N 0 3 268.307 3.145 20 30 CGEDHN C[C@H](CCCC#N)N[C@H](CO)c1cccc(Cl)c1F ZINC001172492292 808351438 /nfs/dbraw/zinc/35/14/38/808351438.db2.gz RQBJSDAXONFWOE-ZWNOBZJWSA-N 0 3 284.762 3.184 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(Cc2ccc(F)cc2)CC1 ZINC001172492405 808351524 /nfs/dbraw/zinc/35/15/24/808351524.db2.gz KYXTVPXPGMRINJ-OAHLLOKOSA-N 0 3 289.398 3.026 20 30 CGEDHN C[C@@H](CCCC#N)N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001172508072 808364270 /nfs/dbraw/zinc/36/42/70/808364270.db2.gz BBHZZVQLPZCGSI-HOCLYGCPSA-N 0 3 285.391 3.172 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)C[C@H](C)CC(C)(C)C ZINC001267318298 808414108 /nfs/dbraw/zinc/41/41/08/808414108.db2.gz WDDHODCNXUKLDJ-INIZCTEOSA-N 0 3 294.483 3.300 20 30 CGEDHN C=CCCC(=O)NCCN(Cc1cccc(C)c1)C1CC1 ZINC001267323044 808415810 /nfs/dbraw/zinc/41/58/10/808415810.db2.gz TXAUSHSFFQGWFF-UHFFFAOYSA-N 0 3 286.419 3.042 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001267544862 808444617 /nfs/dbraw/zinc/44/46/17/808444617.db2.gz UXOQPAZTVDDJNH-RDJZCZTQSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(CC=C(C)C)C1 ZINC001267937646 808517559 /nfs/dbraw/zinc/51/75/59/808517559.db2.gz QKAGGJUKFYRNKJ-QGZVFWFLSA-N 0 3 290.451 3.302 20 30 CGEDHN CC#CCNC/C=C\CNC(=O)CCCC1CCCCC1 ZINC001268621991 808600547 /nfs/dbraw/zinc/60/05/47/808600547.db2.gz ZMNYGEJNIMHUJM-FPLPWBNLSA-N 0 3 290.451 3.022 20 30 CGEDHN C=CCOC1CCC(NCC(=O)c2ccc(C)cc2)CC1 ZINC001173314072 808607364 /nfs/dbraw/zinc/60/73/64/808607364.db2.gz IGNKPKTVCUVKAT-UHFFFAOYSA-N 0 3 287.403 3.281 20 30 CGEDHN C=CCOC1CCC(NCc2ncc(Cl)s2)CC1 ZINC001173316974 808608772 /nfs/dbraw/zinc/60/87/72/808608772.db2.gz QCRYBOZCFMTTOF-UHFFFAOYSA-N 0 3 286.828 3.400 20 30 CGEDHN C=CCOC1CCC(N2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001173321357 808611557 /nfs/dbraw/zinc/61/15/57/808611557.db2.gz JIWVXVLSBALTSZ-WUCCLRPBSA-N 0 3 273.367 3.272 20 30 CGEDHN CC1(C#N)CCC(N2CCC[C@@H]2c2ncccn2)CC1 ZINC001173597505 808651494 /nfs/dbraw/zinc/65/14/94/808651494.db2.gz WJVFDSONNSMWKN-NPCAHTBFSA-N 0 3 270.380 3.086 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001269215760 808656986 /nfs/dbraw/zinc/65/69/86/808656986.db2.gz QZWJEWMBZIYBEX-HIFRSBDPSA-N 0 3 290.407 3.055 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001269229304 808658612 /nfs/dbraw/zinc/65/86/12/808658612.db2.gz GWAOWXUEBUSOKJ-ZIAGYGMSSA-N 0 3 290.407 3.001 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001269268226 808661717 /nfs/dbraw/zinc/66/17/17/808661717.db2.gz JHYKIJCHJIIMLH-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001269301267 808665893 /nfs/dbraw/zinc/66/58/93/808665893.db2.gz IVUZIVKYPJEIKF-QWNKOJSDSA-N 0 3 298.430 3.117 20 30 CGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001269306486 808667856 /nfs/dbraw/zinc/66/78/56/808667856.db2.gz DWFMJGLHMYAWLC-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001269583595 808690286 /nfs/dbraw/zinc/69/02/86/808690286.db2.gz NDZFHXUZSTVJSO-OAGGEKHMSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001271008111 808758865 /nfs/dbraw/zinc/75/88/65/808758865.db2.gz URNGZYYVVWGTHV-WMZOPIPTSA-N 0 3 294.483 3.463 20 30 CGEDHN CN(C)Cc1ccccc1Nc1c(C#N)cnn1C(C)(C)C ZINC001173928042 808766620 /nfs/dbraw/zinc/76/66/20/808766620.db2.gz VPUGNMPEBRIGTN-UHFFFAOYSA-N 0 3 297.406 3.315 20 30 CGEDHN COc1cccc(Nc2ccccc2CN(C)C)c1C#N ZINC001173932131 808770605 /nfs/dbraw/zinc/77/06/05/808770605.db2.gz OLBBDKXVXBBJMF-UHFFFAOYSA-N 0 3 281.359 3.372 20 30 CGEDHN C[NH+](C)Cc1ccccc1Nc1cc(C#N)ccc1[O-] ZINC001173931968 808770653 /nfs/dbraw/zinc/77/06/53/808770653.db2.gz PBBVDGYGRDEDNP-UHFFFAOYSA-N 0 3 267.332 3.069 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)CC(C)(C)CC(F)F ZINC001272067110 808796833 /nfs/dbraw/zinc/79/68/33/808796833.db2.gz CFVFQONLSHOXOI-UHFFFAOYSA-N 0 3 290.398 3.024 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C(C)(C)C1 ZINC001274454594 808876834 /nfs/dbraw/zinc/87/68/34/808876834.db2.gz PCVPTRUEKASQJX-JKSUJKDBSA-N 0 3 294.483 3.461 20 30 CGEDHN Cc1ccc(CN2CC3(CCN3C3CCCC3)C2)c(C#N)c1 ZINC001275615849 808951889 /nfs/dbraw/zinc/95/18/89/808951889.db2.gz BIYCGNZLJGAXLG-UHFFFAOYSA-N 0 3 295.430 3.069 20 30 CGEDHN C=CCCCCCN1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001276035144 808984964 /nfs/dbraw/zinc/98/49/64/808984964.db2.gz GIBHNGPDNACHSY-UHFFFAOYSA-N 0 3 273.424 3.021 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001276460347 809010063 /nfs/dbraw/zinc/01/00/63/809010063.db2.gz LMAOCFNNYHLSQR-CQSZACIVSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001278515694 809139170 /nfs/dbraw/zinc/13/91/70/809139170.db2.gz KSDNYGQFPIXIGP-HOTGVXAUSA-N 0 3 278.440 3.278 20 30 CGEDHN CCCC[C@@H](CNC[C@H](F)CC)NC(=O)C#CC(C)(C)C ZINC001282640243 809256149 /nfs/dbraw/zinc/25/61/49/809256149.db2.gz VQPTWZRVGVRLKP-CABCVRRESA-N 0 3 298.446 3.049 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@H](CC)C(C)C)C(C)(C)C1 ZINC001282833145 809264835 /nfs/dbraw/zinc/26/48/35/809264835.db2.gz NDQBYEYTCKRIBR-HOTGVXAUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001177197322 809787119 /nfs/dbraw/zinc/78/71/19/809787119.db2.gz XAVSGEORJXJONS-INIZCTEOSA-N 0 3 298.858 3.361 20 30 CGEDHN N#Cc1cc(CNC/C=C/c2ccccc2)cs1 ZINC001178327071 809860384 /nfs/dbraw/zinc/86/03/84/809860384.db2.gz XVNHPYMBCZDZOR-QPJJXVBHSA-N 0 3 254.358 3.423 20 30 CGEDHN C#CC(C)(C)C(=O)NCCP(C(C)C)C(C)C ZINC001182641597 810119404 /nfs/dbraw/zinc/11/94/04/810119404.db2.gz OANOMPXAPRDUTJ-UHFFFAOYSA-N 0 3 255.342 3.061 20 30 CGEDHN Cc1ccc(CNCc2cccn2C(F)F)cc1C#N ZINC001183755304 810159850 /nfs/dbraw/zinc/15/98/50/810159850.db2.gz PJXTYYRWXUTSJE-UHFFFAOYSA-N 0 3 275.302 3.353 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@H]2c2ccccc2)CCOCC1 ZINC001184276966 810187737 /nfs/dbraw/zinc/18/77/37/810187737.db2.gz JJBPXLOYMABOIB-IRXDYDNUSA-N 0 3 284.403 3.233 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC)CCCCCC)C1 ZINC001184834054 810221461 /nfs/dbraw/zinc/22/14/61/810221461.db2.gz OZIPMTSERMFXGX-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H](C)CCCCCC)C1 ZINC001187027878 810380118 /nfs/dbraw/zinc/38/01/18/810380118.db2.gz PNXXZGQLOURDBJ-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190338248 810622271 /nfs/dbraw/zinc/62/22/71/810622271.db2.gz ZYEHLLQCRDWRRN-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001191889506 810754077 /nfs/dbraw/zinc/75/40/77/810754077.db2.gz HBBJQPDAASKZNC-HOTGVXAUSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001192887106 810826445 /nfs/dbraw/zinc/82/64/45/810826445.db2.gz AKJVHFIBFGKBEI-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN CC[C@H]1CCCC[C@H]1N(C)Cc1ccncc1C#N ZINC001193459107 810890846 /nfs/dbraw/zinc/89/08/46/810890846.db2.gz APMDNXMXILITDE-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN CCCCCCCOC(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001194004648 810998441 /nfs/dbraw/zinc/99/84/41/810998441.db2.gz ZBFOEWQKBHDDRO-LSDHHAIUSA-N 0 3 282.428 3.119 20 30 CGEDHN C#CCN(Cc1ccccc1)C1CC(OC(C)C)C1 ZINC001194165150 811025010 /nfs/dbraw/zinc/02/50/10/811025010.db2.gz PFFNWBXXXGTOEB-UHFFFAOYSA-N 0 3 257.377 3.078 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194360143 811059671 /nfs/dbraw/zinc/05/96/71/811059671.db2.gz WZLUSXHOSVQGAJ-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN CN1CCc2ccc(Nc3cc(C#N)ccc3F)cc2C1 ZINC001214604309 815430807 /nfs/dbraw/zinc/43/08/07/815430807.db2.gz XEHWWZHOXXIJJA-UHFFFAOYSA-N 0 3 281.334 3.429 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@@](C)(CC)CCC)CC1 ZINC001197578445 811429795 /nfs/dbraw/zinc/42/97/95/811429795.db2.gz PBWUQTMNQQWANB-KRWDZBQOSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCC[C@@H](NCc1cnc(N(C)C)nc1)c1ccccc1 ZINC001201556828 811903380 /nfs/dbraw/zinc/90/33/80/811903380.db2.gz ASLFSJYRSZUJBO-QGZVFWFLSA-N 0 3 296.418 3.340 20 30 CGEDHN C#CCOc1ccc(CNCc2ccccc2NC)cc1 ZINC001202466791 812100263 /nfs/dbraw/zinc/10/02/63/812100263.db2.gz PWIAHQIAKKEFMK-UHFFFAOYSA-N 0 3 280.371 3.030 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C(C)=C\CC)C12CCC2 ZINC001202581792 812127829 /nfs/dbraw/zinc/12/78/29/812127829.db2.gz HRBDKMNHXUSQFQ-FGHOCRGKSA-N 0 3 296.842 3.112 20 30 CGEDHN N#C[C@H]1CCCN(Cc2ccc3ccccc3n2)CC1 ZINC001204502404 812657274 /nfs/dbraw/zinc/65/72/74/812657274.db2.gz DMNOKALRFJAADC-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN C=CCCCCCCCN1CCc2nn(C)cc2C1 ZINC001209439059 814038267 /nfs/dbraw/zinc/03/82/67/814038267.db2.gz HHVTYBDFBGGMLW-UHFFFAOYSA-N 0 3 261.413 3.305 20 30 CGEDHN C=CCCCCCCCN1CCN(c2cncnc2)CC1 ZINC001209440766 814041194 /nfs/dbraw/zinc/04/11/94/814041194.db2.gz CCBXEDSJGAJDFM-UHFFFAOYSA-N 0 3 288.439 3.125 20 30 CGEDHN COc1ccc2oc(CN3CCC(S)CC3)cc2c1 ZINC001209772002 814136511 /nfs/dbraw/zinc/13/65/11/814136511.db2.gz GNVIFNZUOHBXAC-UHFFFAOYSA-N 0 3 277.389 3.336 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(Nc3cccnc3C#N)cccc21 ZINC001210148006 814311962 /nfs/dbraw/zinc/31/19/62/814311962.db2.gz NTEMISUFCDCABT-MRXNPFEDSA-N 0 3 294.358 3.082 20 30 CGEDHN CCCCCCC/C=C/CN1CCNC[C@@H](F)C1 ZINC001210580101 814541420 /nfs/dbraw/zinc/54/14/20/814541420.db2.gz FCZQVCJQNLMFEW-XVJNWHFHSA-N 0 3 256.409 3.146 20 30 CGEDHN C[C@H]1CC(=O)C=C(Nc2ccc(CN(C)C)cc2)C1 ZINC001210771557 814617002 /nfs/dbraw/zinc/61/70/02/814617002.db2.gz XBJYQVUVYZDQFW-GFCCVEGCSA-N 0 3 258.365 3.043 20 30 CGEDHN Cc1cccc(O[C@@H]2CNCc3ccccc32)c1C#N ZINC001218486082 816241184 /nfs/dbraw/zinc/24/11/84/816241184.db2.gz NYJRGOJKWIRHIG-QGZVFWFLSA-N 0 3 264.328 3.090 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001221940242 816336123 /nfs/dbraw/zinc/33/61/23/816336123.db2.gz BLALRZPNZQFSCM-GVDBMIGSSA-N 0 3 292.467 3.168 20 30 CGEDHN C#CCN1CCC(CNC(=O)CCCCC(C)(C)C)CC1 ZINC001223294120 816599582 /nfs/dbraw/zinc/59/95/82/816599582.db2.gz GZGDZEKFCIHWMI-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCCCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224334749 816780811 /nfs/dbraw/zinc/78/08/11/816780811.db2.gz CPVKGNJIHGZVRV-WKILWMFISA-N 0 3 267.413 3.003 20 30 CGEDHN C=CCCO[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224339173 816782265 /nfs/dbraw/zinc/78/22/65/816782265.db2.gz FRYONPVSQQXVOW-HUUCEWRRSA-N 0 3 260.381 3.200 20 30 CGEDHN CC#CCN1CCC(CNC(=O)C(CC)(CC)CC)CC1 ZINC001224989504 816924376 /nfs/dbraw/zinc/92/43/76/816924376.db2.gz UOTJAXTVOXPTGX-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN CCCCCCCN(C)Cc1cccc(C(=O)OC)n1 ZINC001231425967 818099022 /nfs/dbraw/zinc/09/90/22/818099022.db2.gz OGKAJWZNXQZRFV-UHFFFAOYSA-N 0 3 278.396 3.270 20 30 CGEDHN C=CCCCCN(C)Cc1ccc(C#N)cc1OC ZINC001231620629 818137771 /nfs/dbraw/zinc/13/77/71/818137771.db2.gz GVRFRPAEGHEFHZ-UHFFFAOYSA-N 0 3 258.365 3.355 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H](C(C)=O)C2)c1 ZINC001231624903 818140223 /nfs/dbraw/zinc/14/02/23/818140223.db2.gz GWFASYQDOUJBPG-MRXNPFEDSA-N 0 3 273.376 3.052 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](Oc3ncccc3C)C2)c1 ZINC001231662647 818153204 /nfs/dbraw/zinc/15/32/04/818153204.db2.gz FFQXMFRHPQXBAS-GOSISDBHSA-N 0 3 292.382 3.025 20 30 CGEDHN C=CCN1CCN(Cc2ccccc2C(C)C)CC1 ZINC001231876352 818196347 /nfs/dbraw/zinc/19/63/47/818196347.db2.gz HWDMEEPDPZJFOO-UHFFFAOYSA-N 0 3 258.409 3.114 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2c1cccc2OC ZINC001231900220 818206743 /nfs/dbraw/zinc/20/67/43/818206743.db2.gz GAFXTAPCEOYOCZ-UHFFFAOYSA-N 0 3 256.349 3.351 20 30 CGEDHN CN(CCc1ccccn1)Cc1ccc(C#N)c(Cl)c1 ZINC001232111048 818259118 /nfs/dbraw/zinc/25/91/18/818259118.db2.gz ZPJRSDJQHRJOEU-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccnc3c(F)cccc23)C1 ZINC001232212329 818278921 /nfs/dbraw/zinc/27/89/21/818278921.db2.gz QTILJGSXJWIYQK-CYBMUJFWSA-N 0 3 268.335 3.219 20 30 CGEDHN C=CCN(Cc1c[nH]c2ncncc12)Cc1ccccc1 ZINC001232658515 818412308 /nfs/dbraw/zinc/41/23/08/818412308.db2.gz GZCJJHFRELOBKQ-UHFFFAOYSA-N 0 3 278.359 3.098 20 30 CGEDHN Cc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)c(C#N)c1 ZINC001232963625 818484339 /nfs/dbraw/zinc/48/43/39/818484339.db2.gz KNNGJYQKPXQNPP-HUUCEWRRSA-N 0 3 254.377 3.489 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001234086901 818775761 /nfs/dbraw/zinc/77/57/61/818775761.db2.gz FDYMSFWBIQRIQY-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C#C[C@@H]1CCC[C@H]1Oc1c(F)cc(CN(C)C)cc1OC ZINC001234244591 818814795 /nfs/dbraw/zinc/81/47/95/818814795.db2.gz QNWPNGLNWFYMEO-UKRRQHHQSA-N 0 3 291.366 3.077 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(CC=C)CC=C ZINC001234517819 818871803 /nfs/dbraw/zinc/87/18/03/818871803.db2.gz QBWAMWJTBJMVJF-KRWDZBQOSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563477 818882460 /nfs/dbraw/zinc/88/24/60/818882460.db2.gz RFHXAAFLNCUOPR-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235519567 819113951 /nfs/dbraw/zinc/11/39/51/819113951.db2.gz GLUDMVSJGHJNDC-UHFFFAOYSA-N 0 3 261.756 3.390 20 30 CGEDHN C=CCCCCCCCCCN1C[C@@H](N)[C@@H](F)C1 ZINC001235892941 819201657 /nfs/dbraw/zinc/20/16/57/819201657.db2.gz IBRJJGBHPJWESS-LSDHHAIUSA-N 0 3 256.409 3.274 20 30 CGEDHN C=CCOc1cccc(CN2CCc3ccc(N)cc3C2)c1 ZINC001236231153 819393763 /nfs/dbraw/zinc/39/37/63/819393763.db2.gz HSJLQCFGKJUVHW-UHFFFAOYSA-N 0 3 294.398 3.392 20 30 CGEDHN CN1CCc2ccc(-c3ccc(C#N)cc3F)cc2C1 ZINC001236535020 819525974 /nfs/dbraw/zinc/52/59/74/819525974.db2.gz RRPIQYDOKLJVMQ-UHFFFAOYSA-N 0 3 266.319 3.352 20 30 CGEDHN C#CC1CCN(Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001236918394 819637238 /nfs/dbraw/zinc/63/72/38/819637238.db2.gz KEBRXMJVMDYLSF-UHFFFAOYSA-N 0 3 299.805 3.371 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@]1(C)O ZINC001238189859 819951680 /nfs/dbraw/zinc/95/16/80/819951680.db2.gz YCEMTXQSBMLIBH-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN COc1cccc(-c2ccc3c(N)ccnc3c2)c1C#N ZINC001242301438 822944484 /nfs/dbraw/zinc/94/44/84/822944484.db2.gz NMGUWTAISPPJNL-UHFFFAOYSA-N 0 3 275.311 3.364 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)Cc1ccccc1Cl ZINC001340607512 936409282 /nfs/dbraw/zinc/40/92/82/936409282.db2.gz YBPNJWHBSCJCNF-DOMZBBRYSA-N 0 3 294.826 3.071 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC001341190164 936430165 /nfs/dbraw/zinc/43/01/65/936430165.db2.gz BHLSAFVONJVKGC-BFRYPLHYSA-N 0 3 298.430 3.374 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1oc2ccccc2c1C ZINC001341463441 936438984 /nfs/dbraw/zinc/43/89/84/936438984.db2.gz FMYYWCDKJYESKV-CQSZACIVSA-N 0 3 286.375 3.041 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1ccccn1 ZINC001341734019 936449053 /nfs/dbraw/zinc/44/90/53/936449053.db2.gz RTJNDWRDRROURC-MRXNPFEDSA-N 0 3 291.439 3.118 20 30 CGEDHN CC(C)(C)OC[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC001341946061 936455578 /nfs/dbraw/zinc/45/55/78/936455578.db2.gz QFQMUHAMFGDFNH-LBPRGKRZSA-N 0 3 278.421 3.399 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC001342163122 936461068 /nfs/dbraw/zinc/46/10/68/936461068.db2.gz BXVJVNUJUNWNRS-ZBFHGGJFSA-N 0 3 293.370 3.107 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001342128317 936460842 /nfs/dbraw/zinc/46/08/42/936460842.db2.gz LOYUCWBGUYTQAQ-QKPAOTATSA-N 0 3 298.471 3.137 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)Cc1ccc(C)cc1 ZINC001343999945 936522348 /nfs/dbraw/zinc/52/23/48/936522348.db2.gz MHSRGASCXPLPEZ-MRXNPFEDSA-N 0 3 274.408 3.027 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccccc1C ZINC001344325725 936529718 /nfs/dbraw/zinc/52/97/18/936529718.db2.gz HIQRAGFUDYSIHG-OAHLLOKOSA-N 0 3 281.359 3.021 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC001344438076 936534461 /nfs/dbraw/zinc/53/44/61/936534461.db2.gz DNPCBNLIWGQDHB-RDJZCZTQSA-N 0 3 270.376 3.116 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001346096356 936838140 /nfs/dbraw/zinc/83/81/40/936838140.db2.gz PJYHALAPLGKQOE-GHMZBOCLSA-N 0 3 291.782 3.220 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCCC1CCCCC1 ZINC001346547591 936852959 /nfs/dbraw/zinc/85/29/59/936852959.db2.gz AZKJQLZIDTXWER-AWEZNQCLSA-N 0 3 273.380 3.347 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001347338816 936880051 /nfs/dbraw/zinc/88/00/51/936880051.db2.gz VQJNFGQIUAMSDY-CHWSQXEVSA-N 0 3 271.364 3.050 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC001349701383 936958618 /nfs/dbraw/zinc/95/86/18/936958618.db2.gz DRDXUMAGOPUBHV-RWMBFGLXSA-N 0 3 299.399 3.253 20 30 CGEDHN C=CCCCN(CC)CC(=O)N(C)[C@H](C)CC(C)C ZINC001473862162 937825574 /nfs/dbraw/zinc/82/55/74/937825574.db2.gz XIBIVFMFXWMSGC-OAHLLOKOSA-N 0 3 268.445 3.168 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1ccc(C)c(C)c1)C1CC1 ZINC001481195102 926906130 /nfs/dbraw/zinc/90/61/30/926906130.db2.gz GTHHQFZPQFJWNV-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)c1ccc(OC(C)C)cc1 ZINC001353856868 926935817 /nfs/dbraw/zinc/93/58/17/926935817.db2.gz ACEBCFNOIYEIKM-INIZCTEOSA-N 0 3 290.407 3.120 20 30 CGEDHN C#CCCN[C@@H](CNC(=O)C(C)(C)C(=C)C)c1ccccc1 ZINC001481369113 926969119 /nfs/dbraw/zinc/96/91/19/926969119.db2.gz QDIBCXPZYYFTCQ-KRWDZBQOSA-N 0 3 298.430 3.059 20 30 CGEDHN C#CCCN[C@H](CNC(=O)C(C)(C)C(=C)C)c1ccccc1 ZINC001481369114 926969657 /nfs/dbraw/zinc/96/96/57/926969657.db2.gz QDIBCXPZYYFTCQ-QGZVFWFLSA-N 0 3 298.430 3.059 20 30 CGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H](CC)CC(C)C)C1 ZINC001481779572 927085975 /nfs/dbraw/zinc/08/59/75/927085975.db2.gz UJAJUCNWLKECSM-IRXDYDNUSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001483263072 927465622 /nfs/dbraw/zinc/46/56/22/927465622.db2.gz CYVNPKXOICNUFC-GUYCJALGSA-N 0 3 292.398 3.022 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)C/C=C\c1ccc(C)cc1 ZINC001483431374 927506210 /nfs/dbraw/zinc/50/62/10/927506210.db2.gz SMJQRRYLZGGGRG-WLMCBFPDSA-N 0 3 286.419 3.021 20 30 CGEDHN C=C[C@H](C(=O)NC[C@@H]1CCN1CCC(=C)C)c1ccccc1 ZINC001483707845 927581167 /nfs/dbraw/zinc/58/11/67/927581167.db2.gz FXJZIOONPKNVKK-ROUUACIJSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001483704553 927581264 /nfs/dbraw/zinc/58/12/64/927581264.db2.gz BAWFXGNGTXRFGK-AWEZNQCLSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001484169678 927686243 /nfs/dbraw/zinc/68/62/43/927686243.db2.gz ZHIQEELVTHABBV-AEFFLSMTSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001484512899 927714109 /nfs/dbraw/zinc/71/41/09/927714109.db2.gz YXKKZPRLHZMBSC-GXTWGEPZSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(CCCC)cc1 ZINC001485327486 927849088 /nfs/dbraw/zinc/84/90/88/927849088.db2.gz VSWQJFOSWDERNJ-OAHLLOKOSA-N 0 3 288.435 3.265 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CNCC1=CCCCC1 ZINC001474162853 937202933 /nfs/dbraw/zinc/20/29/33/937202933.db2.gz YPFMEWAQTBPVBS-UHFFFAOYSA-N 0 3 269.392 3.214 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC[C@@](C)(F)C1 ZINC001171208874 928201782 /nfs/dbraw/zinc/20/17/82/928201782.db2.gz GKZHCJNLAHZUMH-CZUORRHYSA-N 0 3 260.356 3.313 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@](C)(C=C)CC ZINC001488653401 928289508 /nfs/dbraw/zinc/28/95/08/928289508.db2.gz IVIZJINKZVALRF-WBVHZDCISA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)[C@H]1C ZINC001489293019 928324933 /nfs/dbraw/zinc/32/49/33/928324933.db2.gz GLPVFYZGJFSDBJ-PMPSAXMXSA-N 0 3 280.456 3.214 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001490579565 928375181 /nfs/dbraw/zinc/37/51/81/928375181.db2.gz FTWFFFJYVXBZHE-JKSUJKDBSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)CCCCC)CC1 ZINC001490608105 928379155 /nfs/dbraw/zinc/37/91/55/928379155.db2.gz GQXKVABVTLSZCP-UHFFFAOYSA-N 0 3 280.456 3.456 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(C)cc1C ZINC001202755514 928448180 /nfs/dbraw/zinc/44/81/80/928448180.db2.gz YUJIRKASALIMRP-HNNXBMFYSA-N 0 3 287.407 3.075 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC001434542232 937249113 /nfs/dbraw/zinc/24/91/13/937249113.db2.gz LXDPPLLZYLXDHB-WFASDCNBSA-N 0 3 281.359 3.112 20 30 CGEDHN CN1CCc2ccc(NC3=CC[C@@H](C#N)CC3)cc2C1 ZINC001212866644 928658929 /nfs/dbraw/zinc/65/89/29/928658929.db2.gz CWCGHWBZTWILHZ-CYBMUJFWSA-N 0 3 267.376 3.294 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NCc1cccc(F)c1 ZINC001491469942 928867906 /nfs/dbraw/zinc/86/79/06/928867906.db2.gz PSDCFOOYDIGVPZ-CYBMUJFWSA-N 0 3 292.398 3.022 20 30 CGEDHN C=CCCCN(CC)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC001460897398 937551777 /nfs/dbraw/zinc/55/17/77/937551777.db2.gz CRRHVARIYLKFDD-AWEZNQCLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccccc1 ZINC001460897456 937552071 /nfs/dbraw/zinc/55/20/71/937552071.db2.gz DFQLETVNYVDWSS-AWEZNQCLSA-N 0 3 260.381 3.302 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001230646522 932603126 /nfs/dbraw/zinc/60/31/26/932603126.db2.gz QGKOXLZPHTYPMY-ZIAGYGMSSA-N 0 3 292.448 3.249 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001230658845 932605163 /nfs/dbraw/zinc/60/51/63/932605163.db2.gz IGARNBDKEYSJNP-KRWDZBQOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658533 932605361 /nfs/dbraw/zinc/60/53/61/932605361.db2.gz BKLCSKLMTNZADO-UKRRQHHQSA-N 0 3 290.407 3.089 20 30 CGEDHN CC(C)(N[C@@H]1CC[C@@H](C#N)C1)c1cc(F)cc(F)c1 ZINC001254644035 932724973 /nfs/dbraw/zinc/72/49/73/932724973.db2.gz POIFTGXQDLISMV-QMTHXVAHSA-N 0 3 264.319 3.482 20 30 CGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001491933989 932798506 /nfs/dbraw/zinc/79/85/06/932798506.db2.gz GWNDFFVGIHXWOY-NVXWUHKLSA-N 0 3 292.467 3.005 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CCCCCC ZINC001307753188 932996199 /nfs/dbraw/zinc/99/61/99/932996199.db2.gz MUSIUNHQHDTLJA-SFHVURJKSA-N 0 3 273.420 3.453 20 30 CGEDHN C=C(CC)CN(CC1CC1)[C@](C)(CC)C(=O)OC ZINC001307861663 933012009 /nfs/dbraw/zinc/01/20/09/933012009.db2.gz XTTFAQYAERERMP-OAHLLOKOSA-N 0 3 253.386 3.006 20 30 CGEDHN CNc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC001308229782 933076626 /nfs/dbraw/zinc/07/66/26/933076626.db2.gz MKPCIAFALPYEAC-CYBMUJFWSA-N 0 3 265.360 3.451 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H]1C ZINC001316798846 933483026 /nfs/dbraw/zinc/48/30/26/933483026.db2.gz DHXQOICRTIDEKJ-CABCVRRESA-N 0 3 292.467 3.051 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001317002883 933511709 /nfs/dbraw/zinc/51/17/09/933511709.db2.gz QMFZRJJIUPVHIT-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001317002881 933512088 /nfs/dbraw/zinc/51/20/88/933512088.db2.gz QMFZRJJIUPVHIT-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C#CCCCCCC(=O)NC[C@@H]1CCCCN1CC(=C)C ZINC001317174334 933546913 /nfs/dbraw/zinc/54/69/13/933546913.db2.gz SOKNCCPFNKWHRV-KRWDZBQOSA-N 0 3 290.451 3.117 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC2(C)C)CCCC1 ZINC001319373224 933863485 /nfs/dbraw/zinc/86/34/85/933863485.db2.gz XSILIVSLGYXUPJ-ZDUSSCGKSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)C(C)C)CCCC1 ZINC001319376669 933865596 /nfs/dbraw/zinc/86/55/96/933865596.db2.gz AEUCVONZGBLRTH-CYBMUJFWSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001319981491 933971635 /nfs/dbraw/zinc/97/16/35/933971635.db2.gz QGSMOGVXBMRURX-UHFFFAOYSA-N 0 3 292.398 3.013 20 30 CGEDHN C=C[C@H](COC)N[C@@H](CCC)c1ccc(OC)cc1 ZINC001321242371 934168160 /nfs/dbraw/zinc/16/81/60/934168160.db2.gz WJQCNNHVNRMOKX-ZBFHGGJFSA-N 0 3 263.381 3.327 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@@H](C)CC(C)(C)C ZINC001322248134 934264006 /nfs/dbraw/zinc/26/40/06/934264006.db2.gz IYZXTXDJTXWVLF-ZIAGYGMSSA-N 0 3 268.445 3.071 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)C1CCC2(CC2)CC1 ZINC001322615953 934321819 /nfs/dbraw/zinc/32/18/19/934321819.db2.gz LIRUTYSDIGCJPF-UHFFFAOYSA-N 0 3 298.858 3.147 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC1(C)CCCCC1 ZINC001323259583 934377110 /nfs/dbraw/zinc/37/71/10/934377110.db2.gz SMRVXFGXTABLTH-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCC(=O)NC[C@H]1CCN1CCCC(C)(C)C ZINC001323293817 934382716 /nfs/dbraw/zinc/38/27/16/934382716.db2.gz OTLYPQLKIRWGLK-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001323371574 934391203 /nfs/dbraw/zinc/39/12/03/934391203.db2.gz MMUVGLWXNVMJNI-UYSNPLJNSA-N 0 3 292.467 3.215 20 30 CGEDHN C#CCN(C[C@H](OC(C)C)c1ccccc1)CC1CC1 ZINC001324152816 934466245 /nfs/dbraw/zinc/46/62/45/934466245.db2.gz AOKNOPCQOHCJSZ-SFHVURJKSA-N 0 3 271.404 3.498 20 30 CGEDHN CC[C@@H](C)N[C@H](CNc1cc(C)c(C#N)cn1)c1ccco1 ZINC001472778769 937783632 /nfs/dbraw/zinc/78/36/32/937783632.db2.gz OJKQOOFWQUKCAU-UKRRQHHQSA-N 0 3 298.390 3.396 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@H](C)CC)c1ccccc1CC ZINC001325362737 934907858 /nfs/dbraw/zinc/90/78/58/934907858.db2.gz PMKSYQUDDYWMJP-RHSMWYFYSA-N 0 3 288.435 3.228 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001329627776 935235763 /nfs/dbraw/zinc/23/57/63/935235763.db2.gz JJQJXDQOSSGJGO-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC001329746376 935243322 /nfs/dbraw/zinc/24/33/22/935243322.db2.gz UKILLNHXPMUCGM-QMTHXVAHSA-N 0 3 269.747 3.257 20 30 CGEDHN C[C@H]1CCCCN1N=Cc1ccc(N2CCCC2)cc1 ZINC001330028453 935262092 /nfs/dbraw/zinc/26/20/92/935262092.db2.gz FXVBNAJPVDTVKK-HNNXBMFYSA-N 0 3 271.408 3.495 20 30 CGEDHN COc1cccc(F)c1CNCC(C)(C)CCC#N ZINC001333734111 936060604 /nfs/dbraw/zinc/06/06/04/936060604.db2.gz ZHAHTBSRPQPHOB-UHFFFAOYSA-N 0 3 264.344 3.254 20 30 CGEDHN O=C1C=COC2(CCN(Cc3cccc4ccoc43)CC2)C1 ZINC001333876954 936073264 /nfs/dbraw/zinc/07/32/64/936073264.db2.gz UEBGCPIKLYGTSR-UHFFFAOYSA-N 0 3 297.354 3.271 20 30 CGEDHN N#CCC1CCN(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001334746325 936111326 /nfs/dbraw/zinc/11/13/26/936111326.db2.gz MNIWQNIHNCBHBK-STQMWFEESA-N 0 3 290.329 3.112 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2nc(C)sc2c1 ZINC001335844127 936164006 /nfs/dbraw/zinc/16/40/06/936164006.db2.gz TZZPFEHRQSAUTB-GFCCVEGCSA-N 0 3 289.404 3.227 20 30 CGEDHN N#Cc1ccnc(CN2CC=CC23CCCCC3)c1 ZINC001473898536 937828646 /nfs/dbraw/zinc/82/86/46/937828646.db2.gz BBPYPYNLFKWMGH-UHFFFAOYSA-N 0 3 253.349 3.028 20 30 CGEDHN C=CC[C@@H](NCc1ccc2oc(=O)oc2c1)c1ccncc1 ZINC001474007500 937835277 /nfs/dbraw/zinc/83/52/77/937835277.db2.gz FLCHAVMRHFTZDQ-CQSZACIVSA-N 0 3 296.326 3.188 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1ccc(C)cc1Br ZINC001474247186 937846016 /nfs/dbraw/zinc/84/60/16/937846016.db2.gz UMUDAYBCSILQMM-CYBMUJFWSA-N 0 3 298.224 3.174 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN1C[C@H](C)[C@@H](C)C1 ZINC001474369880 937855496 /nfs/dbraw/zinc/85/54/96/937855496.db2.gz QYXSSYDODUVQOR-STQMWFEESA-N 0 3 277.795 3.440 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCN1CCCCC ZINC001479245284 937918457 /nfs/dbraw/zinc/91/84/57/937918457.db2.gz ZYTFMXJTWMVPHO-WBVHZDCISA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C=C(C)C ZINC001479510403 937921996 /nfs/dbraw/zinc/92/19/96/937921996.db2.gz FGWOKCGMYVBUTN-ZFWWWQNUSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001479984528 937930735 /nfs/dbraw/zinc/93/07/35/937930735.db2.gz DMIXOQBIKFRLSZ-UQYHUFHVSA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001493019937 937946181 /nfs/dbraw/zinc/94/61/81/937946181.db2.gz PTORPVFNDQIVSS-UHFFFAOYSA-N 0 3 298.386 3.184 20 30 CGEDHN C#CCN(CCC)CCNC(=O)C[C@@H]1CCCCC1(C)C ZINC001493337616 937949467 /nfs/dbraw/zinc/94/94/67/937949467.db2.gz ULCJYVCULFAEOK-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccccc2)C1 ZINC001493938862 937952106 /nfs/dbraw/zinc/95/21/06/937952106.db2.gz MRURFHWJKPOXOC-QGZVFWFLSA-N 0 3 286.419 3.189 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001494870004 937956994 /nfs/dbraw/zinc/95/69/94/937956994.db2.gz XTAYXCPJMOCTQM-AEFFLSMTSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)CC1=CCCCC1)C(C)C ZINC001496536967 937962979 /nfs/dbraw/zinc/96/29/79/937962979.db2.gz KLBNUHDSBIMQIF-HNNXBMFYSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001496819079 937964190 /nfs/dbraw/zinc/96/41/90/937964190.db2.gz PXBUYOJIZCKREZ-OAHLLOKOSA-N 0 3 282.472 3.415 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(C)c1C ZINC001497311794 937965529 /nfs/dbraw/zinc/96/55/29/937965529.db2.gz JUCQHAUFDYNSJX-CYBMUJFWSA-N 0 3 294.826 3.154 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C(C)=C2CCCC2)CC1 ZINC001499976396 937975340 /nfs/dbraw/zinc/97/53/40/937975340.db2.gz VSTIHSRABSHGAR-UHFFFAOYSA-N 0 3 276.424 3.034 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)C(CC)(CC)CC ZINC001502385826 937982269 /nfs/dbraw/zinc/98/22/69/937982269.db2.gz ZUPZTDUBHUOODU-UHFFFAOYSA-N 0 3 280.456 3.006 20 30 CGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCCCCC ZINC001506581532 937990922 /nfs/dbraw/zinc/99/09/22/937990922.db2.gz KKHTVSXXTSKLJT-KRWDZBQOSA-N 0 3 292.467 3.341 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001508225584 937998897 /nfs/dbraw/zinc/99/88/97/937998897.db2.gz TWJVPKYHYUOERW-LSDHHAIUSA-N 0 3 292.467 3.239 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCCC1(C)C ZINC001517046635 938011022 /nfs/dbraw/zinc/01/10/22/938011022.db2.gz ORQSTFIRKJLMGJ-MNOVXSKESA-N 0 3 293.798 3.466 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C1CC1)C1CC1 ZINC001517045250 938011044 /nfs/dbraw/zinc/01/10/44/938011044.db2.gz AYYQYGOALYDISE-LBPRGKRZSA-N 0 3 291.782 3.076 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C1CC1)C1CC1 ZINC001517045237 938011051 /nfs/dbraw/zinc/01/10/51/938011051.db2.gz AYYQYGOALYDISE-GFCCVEGCSA-N 0 3 291.782 3.076 20 30 CGEDHN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001520447907 938025765 /nfs/dbraw/zinc/02/57/65/938025765.db2.gz DBOHYGPAQGMDMK-JLLWLGSASA-N 0 3 278.302 3.362 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1cnc(C)s1 ZINC001521453695 938032010 /nfs/dbraw/zinc/03/20/10/938032010.db2.gz BILSVGINQWTYOM-CQSZACIVSA-N 0 3 297.468 3.146 20 30 CGEDHN C=CCC1(C(=O)N(CCC)CCN(C)C)CCCCC1 ZINC001522300566 938036277 /nfs/dbraw/zinc/03/62/77/938036277.db2.gz LUIFVJWBDVQIIP-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(F)F)cc1 ZINC001523168551 938038610 /nfs/dbraw/zinc/03/86/10/938038610.db2.gz DZIGJHKTBSVDLG-GFCCVEGCSA-N 0 3 268.307 3.246 20 30 CGEDHN CCC(C)(CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001527018649 938059858 /nfs/dbraw/zinc/05/98/58/938059858.db2.gz BZKXHFRFSJECSN-SNVBAGLBSA-N 0 3 266.291 3.362 20 30 CGEDHN CC(C)(C(=O)C(C#N)c1ncc(F)cc1F)C1CCC1 ZINC001527019144 938059900 /nfs/dbraw/zinc/05/99/00/938059900.db2.gz IQWLQWWYEPSSSF-LLVKDONJSA-N 0 3 278.302 3.362 20 30 CGEDHN CCCCCCCCC(=O)NC[C@H]1CCCCN1C ZINC001537276145 938109098 /nfs/dbraw/zinc/10/90/98/938109098.db2.gz BXDSEJJOSWGSDU-OAHLLOKOSA-N 0 3 268.445 3.338 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C#N)cc2F)c1 ZINC001539802701 938126444 /nfs/dbraw/zinc/12/64/44/938126444.db2.gz HTBOIADUNJBFRX-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN C#CCN(CCC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001559498907 938227503 /nfs/dbraw/zinc/22/75/03/938227503.db2.gz CCQMPDUZVSVNLV-QGZVFWFLSA-N 0 3 299.414 3.341 20 30 CGEDHN C#CCN(CCC(=O)OC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001559498906 938227512 /nfs/dbraw/zinc/22/75/12/938227512.db2.gz CCQMPDUZVSVNLV-KRWDZBQOSA-N 0 3 299.414 3.341 20 30 CGEDHN CCC#C[C@H](C)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001559519254 938228241 /nfs/dbraw/zinc/22/82/41/938228241.db2.gz XKKGLIGOGXFQQF-GJZGRUSLSA-N 0 3 294.439 3.025 20 30 CGEDHN C#CCOCCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001559661653 938232181 /nfs/dbraw/zinc/23/21/81/938232181.db2.gz FKXLWVPGMBKSNZ-FQEVSTJZSA-N 0 3 291.394 3.436 20 30 CGEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(Cl)cc1C#N ZINC001559835516 938237014 /nfs/dbraw/zinc/23/70/14/938237014.db2.gz MRYIASXSMSFYCF-MRXNPFEDSA-N 0 3 291.826 3.128 20 30 CGEDHN C=CC[C@H]1CCN1Cc1ccc([Si](C)(C)C)cc1 ZINC001560206231 938247038 /nfs/dbraw/zinc/24/70/38/938247038.db2.gz SXKPZISPUOBYTC-HNNXBMFYSA-N 0 3 259.469 3.382 20 30 CGEDHN C#CCC1(NCc2cc(OC)cc3c2O[C@@H](C)C3)CCC1 ZINC001560598915 938264866 /nfs/dbraw/zinc/26/48/66/938264866.db2.gz SVGDJLVFIUVTTB-ZDUSSCGKSA-N 0 3 285.387 3.054 20 30 CGEDHN N#CC1(CNCC2(c3ccc4c(c3)OCO4)CC2)CCCC1 ZINC001560913448 938283754 /nfs/dbraw/zinc/28/37/54/938283754.db2.gz MLCRYCKYGNWPAP-UHFFFAOYSA-N 0 3 298.386 3.120 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 ZINC001574851869 960471379 /nfs/dbraw/zinc/47/13/79/960471379.db2.gz LWQOUETZBKRRBA-IHRRRGAJSA-N 0 3 286.847 3.177 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001565822565 960825752 /nfs/dbraw/zinc/82/57/52/960825752.db2.gz IMDPDWQNRNMKPG-XVJNWHFHSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001566918384 961057493 /nfs/dbraw/zinc/05/74/93/961057493.db2.gz PYAUFSQNXUPVGZ-KVPUOBJLSA-N 0 3 278.440 3.136 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001567201828 961137305 /nfs/dbraw/zinc/13/73/05/961137305.db2.gz JAUBXNXHRZNILE-HOTGVXAUSA-N 0 3 292.467 3.005 20 30 CGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001567200538 961141570 /nfs/dbraw/zinc/14/15/70/961141570.db2.gz ZLSWNAGCUASVQH-QGZVFWFLSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1=CCCCCC1 ZINC001567214089 961150448 /nfs/dbraw/zinc/15/04/48/961150448.db2.gz KKCMIQBJTPPKDB-CYBMUJFWSA-N 0 3 284.831 3.114 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)c1ccsc1)C1CC1 ZINC001567449449 961354344 /nfs/dbraw/zinc/35/43/44/961354344.db2.gz YIFYHZQKNGSADY-ZDUSSCGKSA-N 0 3 292.448 3.008 20 30 CGEDHN C#CCCCC(=O)NC[C@@H](NCC=C(C)C)c1ccccc1 ZINC001567658117 961378340 /nfs/dbraw/zinc/37/83/40/961378340.db2.gz YHNFYAOIYGYCFD-GOSISDBHSA-N 0 3 298.430 3.203 20 30 CGEDHN C=CCN[C@H](CNC(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC001567656722 961386119 /nfs/dbraw/zinc/38/61/19/961386119.db2.gz SJIAZAPBKZUBDL-YUQCYMQKSA-N 0 3 286.419 3.222 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CC(C)(C)C)C1 ZINC001567680075 961391498 /nfs/dbraw/zinc/39/14/98/961391498.db2.gz YQYUSLOSEWRALT-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1C ZINC001567863741 961441886 /nfs/dbraw/zinc/44/18/86/961441886.db2.gz MGFVOSHRYSULHC-IRXDYDNUSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)C2CCC2)CCCC1 ZINC001568237300 961523915 /nfs/dbraw/zinc/52/39/15/961523915.db2.gz VUOOAQFSCTVDIA-ZDUSSCGKSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001568380162 961568830 /nfs/dbraw/zinc/56/88/30/961568830.db2.gz DSNPOBXWRYTGSW-OAHLLOKOSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2ccccc2)CC1 ZINC001569411883 961763906 /nfs/dbraw/zinc/76/39/06/961763906.db2.gz NRVOCCUKJHXMAM-UHFFFAOYSA-N 0 3 286.419 3.027 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C[C@H](F)CC)CC1 ZINC001570181026 961913745 /nfs/dbraw/zinc/91/37/45/961913745.db2.gz BHIGPEPOQVQZNT-HUUCEWRRSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001571043991 962121471 /nfs/dbraw/zinc/12/14/71/962121471.db2.gz QNRQMJCLNLQMFQ-INIZCTEOSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN(C)CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001571617051 962197630 /nfs/dbraw/zinc/19/76/30/962197630.db2.gz SSWMMCLFUAHBSZ-HOTGVXAUSA-N 0 3 294.483 3.414 20 30 CGEDHN CC#CC[C@@H](N)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC001574962073 962327584 /nfs/dbraw/zinc/32/75/84/962327584.db2.gz FFXZWOPHPVFJSR-GOSISDBHSA-N 0 3 298.430 3.042 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc(C(C)C)cc1 ZINC001574908732 962331750 /nfs/dbraw/zinc/33/17/50/962331750.db2.gz WXISSOJVROILKD-KRWDZBQOSA-N 0 3 288.435 3.152 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1c(C)cccc1OC(F)F ZINC001574908312 962335314 /nfs/dbraw/zinc/33/53/14/962335314.db2.gz JNUWNSRGOCPUBP-NSHDSACASA-N 0 3 298.333 3.219 20 30 CGEDHN CC(C)(N)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001575345611 962360836 /nfs/dbraw/zinc/36/08/36/962360836.db2.gz IGGCKXCDAJBAAY-UHFFFAOYSA-N 0 3 295.342 3.026 20 30 CGEDHN C=CCCC[NH2+][C@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588600888 963294479 /nfs/dbraw/zinc/29/44/79/963294479.db2.gz SHQRBIHTQASSLY-INIZCTEOSA-N 0 3 297.406 3.190 20 30 CGEDHN C=CCCC[NH2+][C@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588600888 963294492 /nfs/dbraw/zinc/29/44/92/963294492.db2.gz SHQRBIHTQASSLY-INIZCTEOSA-N 0 3 297.406 3.190 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2OC(F)F)cc1F ZINC000337397973 214053411 /nfs/dbraw/zinc/05/34/11/214053411.db2.gz JNHGLHONSZNJJV-UONOGXRCSA-N 0 3 298.308 3.337 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCC[C@@H]2OC(F)F)c1F ZINC000337428470 214075485 /nfs/dbraw/zinc/07/54/85/214075485.db2.gz UCZFMJIEDKUVOQ-STQMWFEESA-N 0 3 298.308 3.337 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCC1(F)F ZINC000589921254 346817623 /nfs/dbraw/zinc/81/76/23/346817623.db2.gz JNRJARXNTAQODJ-KGLIPLIRSA-N 0 3 292.329 3.063 20 30 CGEDHN C[C@]1(NCC#Cc2ccc(Cl)cc2)CCO[C@@H]1C1CC1 ZINC000273071112 192035779 /nfs/dbraw/zinc/03/57/79/192035779.db2.gz OKEQYXGPIQIKJR-SJORKVTESA-N 0 3 289.806 3.239 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2nnc3n2CCCCC3)C1 ZINC000651673824 398267078 /nfs/dbraw/zinc/26/70/78/398267078.db2.gz YEJXGWPSJMWHAR-RBSFLKMASA-N 0 3 288.439 3.400 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC000621858789 349597672 /nfs/dbraw/zinc/59/76/72/349597672.db2.gz DQKJFCWTWQWPQX-INIZCTEOSA-N 0 3 280.456 3.215 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000590972485 346892476 /nfs/dbraw/zinc/89/24/76/346892476.db2.gz ZOYSQMLPNUDEHK-WBVHZDCISA-N 0 3 284.403 3.099 20 30 CGEDHN C=CCOCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348099 346917081 /nfs/dbraw/zinc/91/70/81/346917081.db2.gz IUFVBGZVJVAWTJ-INIZCTEOSA-N 0 3 290.363 3.155 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H]2c3ccccc3CN(C)C2=O)C1 ZINC000623236963 349770594 /nfs/dbraw/zinc/77/05/94/349770594.db2.gz LLHBNMFAACAOHB-KMFMINBZSA-N 0 3 284.403 3.034 20 30 CGEDHN C=CCOc1c(Cl)cc(CNCCOCC)cc1OC ZINC000623361127 349789339 /nfs/dbraw/zinc/78/93/39/349789339.db2.gz OKYKHTHJWRVIQR-UHFFFAOYSA-N 0 3 299.798 3.040 20 30 CGEDHN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(C)C#N)o1 ZINC000347720560 529718188 /nfs/dbraw/zinc/71/81/88/529718188.db2.gz JCXMLGIJEUBMGB-DYEKYZERSA-N 0 3 274.364 3.301 20 30 CGEDHN C=C(C)CNCc1cccc(F)c1OCC(F)(F)F ZINC000623516379 349824941 /nfs/dbraw/zinc/82/49/41/349824941.db2.gz PBJMLUXPJYMQFL-UHFFFAOYSA-N 0 3 277.261 3.433 20 30 CGEDHN CCC[C@H]1[C@@H](C)CCCN1Cc1ccncc1C#N ZINC000592083396 346961345 /nfs/dbraw/zinc/96/13/45/346961345.db2.gz PKHAMTYRJQOBBK-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H]1CN(CC(C)(C)CCC#N)CC2(CCCC2)O1 ZINC000592532444 346997637 /nfs/dbraw/zinc/99/76/37/346997637.db2.gz NXYMWLZFKIOMFE-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN C[C@@H](N[C@H]1CNc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000593319787 347062356 /nfs/dbraw/zinc/06/23/56/347062356.db2.gz PKWKTJCHFRSSAW-MLGOLLRUSA-N 0 3 295.361 3.385 20 30 CGEDHN N#CCCCN1CCC(COc2ccccc2)CC1 ZINC000055081676 345142889 /nfs/dbraw/zinc/14/28/89/345142889.db2.gz FNIOBAMXGXPXQQ-UHFFFAOYSA-N 0 3 258.365 3.081 20 30 CGEDHN CCc1ccc([C@@H](CNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000058482221 345195844 /nfs/dbraw/zinc/19/58/44/345195844.db2.gz YCAZCAZFEWXLMS-QGZVFWFLSA-N 0 3 294.402 3.230 20 30 CGEDHN C[C@@H](NCCCC(C)(C)CO)c1ccc(C#N)cc1F ZINC000305796463 201809271 /nfs/dbraw/zinc/80/92/71/201809271.db2.gz AQLFYBYTJMKXCU-GFCCVEGCSA-N 0 3 278.371 3.147 20 30 CGEDHN N#CCSCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000072513390 345410878 /nfs/dbraw/zinc/41/08/78/345410878.db2.gz FDDMRQHSMWTPOG-KRWDZBQOSA-N 0 3 297.427 3.407 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000075022027 345490651 /nfs/dbraw/zinc/49/06/51/345490651.db2.gz QJCJYTFAWUMZPF-HZPDHXFCSA-N 0 3 299.418 3.054 20 30 CGEDHN CCC(C)(C)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000074320781 345466024 /nfs/dbraw/zinc/46/60/24/345466024.db2.gz YAAYPCMOIFTRLC-UHFFFAOYSA-N 0 3 293.798 3.271 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CCOCC1 ZINC000076152446 345535456 /nfs/dbraw/zinc/53/54/56/345535456.db2.gz IHLJPXFWYZEMEZ-MSOLQXFVSA-N 0 3 284.403 3.185 20 30 CGEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCOCC1 ZINC000076152453 345535808 /nfs/dbraw/zinc/53/58/08/345535808.db2.gz IHLJPXFWYZEMEZ-ZWKOTPCHSA-N 0 3 284.403 3.185 20 30 CGEDHN C[C@@](CO)(NCc1ccc(F)cc1C#N)C1CCCCC1 ZINC000077655762 345581463 /nfs/dbraw/zinc/58/14/63/345581463.db2.gz HRBFZGSYAGDQEB-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN CC(C(=O)Nc1nncn1Cc1ccccc1)C(F)(F)F ZINC000080362154 345672201 /nfs/dbraw/zinc/67/22/01/345672201.db2.gz ZUQLKAWJQBHCNI-VIFPVBQESA-N 0 3 298.268 3.113 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000080656101 345682266 /nfs/dbraw/zinc/68/22/66/345682266.db2.gz JXJUHIWZVRAJKN-IUODEOHRSA-N 0 3 296.374 3.229 20 30 CGEDHN CC(C)(C#N)CCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000119967979 345995892 /nfs/dbraw/zinc/99/58/92/345995892.db2.gz FKFREBMYFGHDAZ-KRWDZBQOSA-N 0 3 286.419 3.260 20 30 CGEDHN CC#CCCN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000156013198 346157046 /nfs/dbraw/zinc/15/70/46/346157046.db2.gz ZTFKHARMMQLQFT-UHFFFAOYSA-N 0 3 276.468 3.232 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000174581246 346243929 /nfs/dbraw/zinc/24/39/29/346243929.db2.gz BNTZGNBBHGFCTO-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN CCO[C@@H]1C[C@@H](N[C@@H](CC)CC#N)C12CCCC2 ZINC000224461248 346302208 /nfs/dbraw/zinc/30/22/08/346302208.db2.gz QTCWUWQGQUABTR-BFHYXJOUSA-N 0 3 250.386 3.006 20 30 CGEDHN N#Cc1ccc(CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000247651161 346371782 /nfs/dbraw/zinc/37/17/82/346371782.db2.gz NASLOTPSDBMBSW-UHFFFAOYSA-N 0 3 297.446 3.256 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)NC1CC1 ZINC000294927507 346433372 /nfs/dbraw/zinc/43/33/72/346433372.db2.gz AZPUXUWIQGBGCH-JTQLQIEISA-N 0 3 298.839 3.057 20 30 CGEDHN COc1cc(CN2CCC23CCCC3)ccc1C#N ZINC000593647246 347098093 /nfs/dbraw/zinc/09/80/93/347098093.db2.gz YTUHLBAKMFDLTP-UHFFFAOYSA-N 0 3 256.349 3.085 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000321510870 346489781 /nfs/dbraw/zinc/48/97/81/346489781.db2.gz WAEHLSQPEJBRJH-MWLCHTKSSA-N 0 3 257.736 3.067 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCO[C@H](C)C1 ZINC000491147430 346627445 /nfs/dbraw/zinc/62/74/45/346627445.db2.gz RLHIMFNMTQKFHH-GDBMZVCRSA-N 0 3 275.367 3.076 20 30 CGEDHN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)C(C)C#N ZINC000504700576 346634613 /nfs/dbraw/zinc/63/46/13/346634613.db2.gz NXLPSMAPJPGLRP-ZIAGYGMSSA-N 0 3 290.432 3.450 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCCCC2 ZINC000585816727 346730929 /nfs/dbraw/zinc/73/09/29/346730929.db2.gz IYLJYXYXSMIZQH-SJORKVTESA-N 0 3 299.418 3.171 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC(F)(F)C1)CC2 ZINC000589342650 346794200 /nfs/dbraw/zinc/79/42/00/346794200.db2.gz AJMATKLEZOHTBU-OCCSQVGLSA-N 0 3 262.303 3.323 20 30 CGEDHN Cc1cc(CN2CCC[C@@H](OC3CCC3)C2)ccc1C#N ZINC000594026164 347139674 /nfs/dbraw/zinc/13/96/74/347139674.db2.gz DYFSKYQUXSBYFV-GOSISDBHSA-N 0 3 284.403 3.400 20 30 CGEDHN N#Cc1cc(F)ccc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594604382 347201143 /nfs/dbraw/zinc/20/11/43/347201143.db2.gz YUPRPVOUQRQHQI-HOTGVXAUSA-N 0 3 273.355 3.126 20 30 CGEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594426444 347173837 /nfs/dbraw/zinc/17/38/37/347173837.db2.gz CUVSZNAKRBCIHS-AWEZNQCLSA-N 0 3 293.798 3.104 20 30 CGEDHN N#Cc1csc(CN[C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594512923 347183857 /nfs/dbraw/zinc/18/38/57/347183857.db2.gz YLPZWEHXEUXFCX-CABCVRRESA-N 0 3 276.405 3.057 20 30 CGEDHN COc1cccc(CNCc2ccc(C#N)c(OC)c2)c1C ZINC000594998068 347252627 /nfs/dbraw/zinc/25/26/27/347252627.db2.gz GCYHRHNENLAGGE-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)s1)C1CCCCC1 ZINC000594998359 347252749 /nfs/dbraw/zinc/25/27/49/347252749.db2.gz XEOHDYDWOKMIFC-HNNXBMFYSA-N 0 3 278.421 3.305 20 30 CGEDHN CCC[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)OC ZINC000594942986 347236803 /nfs/dbraw/zinc/23/68/03/347236803.db2.gz FQDJKTVEOBOXHE-INIZCTEOSA-N 0 3 272.392 3.146 20 30 CGEDHN CCOc1ccccc1CNCCc1ccc(C#N)cc1 ZINC000594956137 347239922 /nfs/dbraw/zinc/23/99/22/347239922.db2.gz UYVYUFMROGDNQX-UHFFFAOYSA-N 0 3 280.371 3.289 20 30 CGEDHN C[C@H]1CC(CNCc2nc(C#N)cs2)C[C@H](C)C1 ZINC000594966352 347244586 /nfs/dbraw/zinc/24/45/86/347244586.db2.gz HPSIVZMFFLERMT-GHMZBOCLSA-N 0 3 263.410 3.177 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000594975609 347247010 /nfs/dbraw/zinc/24/70/10/347247010.db2.gz XIHCDHDRPNIVEW-OALUTQOASA-N 0 3 292.382 3.221 20 30 CGEDHN COCC1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000594981157 347247752 /nfs/dbraw/zinc/24/77/52/347247752.db2.gz HYXZMSDVKADWFL-UHFFFAOYSA-N 0 3 264.413 3.255 20 30 CGEDHN C[C@H](c1cccnc1)N(C)CCc1ccc(C#N)cc1 ZINC000595393096 347298420 /nfs/dbraw/zinc/29/84/20/347298420.db2.gz WHFOKUJFLVJZOU-CQSZACIVSA-N 0 3 265.360 3.189 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1COC2(CCC2)C1 ZINC000595045308 347267982 /nfs/dbraw/zinc/26/79/82/347267982.db2.gz TWLXRDNLDKYOBN-WBVHZDCISA-N 0 3 282.387 3.237 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1cc2cnccc2o1 ZINC000595053608 347271150 /nfs/dbraw/zinc/27/11/50/347271150.db2.gz WTWHSHWVSUJJAL-LLVKDONJSA-N 0 3 257.337 3.418 20 30 CGEDHN C[C@H](N[C@@H]1CCN(C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000595056874 347272331 /nfs/dbraw/zinc/27/23/31/347272331.db2.gz SAHTXWHVFXQUPA-GXTWGEPZSA-N 0 3 289.398 3.221 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000595057115 347272489 /nfs/dbraw/zinc/27/24/89/347272489.db2.gz ACOQDBGLNFNTFM-CYBMUJFWSA-N 0 3 267.442 3.424 20 30 CGEDHN C[C@@H](NCCc1ccoc1)c1ccc(C#N)c(F)c1 ZINC000595087690 347279370 /nfs/dbraw/zinc/27/93/70/347279370.db2.gz ODRYITJCTOIBPM-LLVKDONJSA-N 0 3 258.296 3.184 20 30 CGEDHN C[C@H](O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000595104262 347284344 /nfs/dbraw/zinc/28/43/44/347284344.db2.gz RMTWLGLPFJBULQ-DEYYWGMASA-N 0 3 280.371 3.331 20 30 CGEDHN N#CC[C@H]1CCCN(CCCOCCc2ccccc2)C1 ZINC000595611647 347326230 /nfs/dbraw/zinc/32/62/30/347326230.db2.gz MOMDNEKNLWVYMJ-GOSISDBHSA-N 0 3 286.419 3.261 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595613425 347327220 /nfs/dbraw/zinc/32/72/20/347327220.db2.gz COIFQURFGKVIPW-ZFWWWQNUSA-N 0 3 253.349 3.245 20 30 CGEDHN CCc1ccc(CCN2CCC[C@H](CC#N)C2)cc1 ZINC000595614356 347327872 /nfs/dbraw/zinc/32/78/72/347327872.db2.gz KZHDPYNVVBMHFS-QGZVFWFLSA-N 0 3 256.393 3.417 20 30 CGEDHN CO[C@@H](CNC(C)(C)c1cccc(C#N)c1)CC(C)C ZINC000595633760 347331246 /nfs/dbraw/zinc/33/12/46/347331246.db2.gz YRPVSTXDIBQCLS-MRXNPFEDSA-N 0 3 274.408 3.444 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000595660033 347334638 /nfs/dbraw/zinc/33/46/38/347334638.db2.gz QMTXKEFZYTZKDC-CYBMUJFWSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000595661617 347335371 /nfs/dbraw/zinc/33/53/71/347335371.db2.gz XTAYSTSVSSAWRZ-AWEZNQCLSA-N 0 3 270.376 3.355 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC[C@H](CCF)C1 ZINC000595755002 347350173 /nfs/dbraw/zinc/35/01/73/347350173.db2.gz DUFXJBPIKUSTOA-CQSZACIVSA-N 0 3 276.355 3.009 20 30 CGEDHN CN(c1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000595826285 347362070 /nfs/dbraw/zinc/36/20/70/347362070.db2.gz LWSUEULUKWLOCU-OAHLLOKOSA-N 0 3 297.427 3.330 20 30 CGEDHN COc1cc(C#N)ccc1CNC1(CC(C)C)CC1 ZINC000595831765 347362616 /nfs/dbraw/zinc/36/26/16/347362616.db2.gz RZCMKUYUUDOVDL-UHFFFAOYSA-N 0 3 258.365 3.235 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)ccc1F ZINC000595841148 347365245 /nfs/dbraw/zinc/36/52/45/347365245.db2.gz IPQPIOOTRPCKAY-GASCZTMLSA-N 0 3 256.324 3.380 20 30 CGEDHN CCN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCCO1 ZINC000596999673 347526430 /nfs/dbraw/zinc/52/64/30/347526430.db2.gz HWYXNGXHAWMUHF-QGZVFWFLSA-N 0 3 284.403 3.243 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC000597081772 347534226 /nfs/dbraw/zinc/53/42/26/347534226.db2.gz DFZYEPVATBASOS-KBPBESRZSA-N 0 3 256.393 3.246 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000597827956 347594687 /nfs/dbraw/zinc/59/46/87/347594687.db2.gz FGMFYVIMVRXFKD-ULQDDVLXSA-N 0 3 282.387 3.160 20 30 CGEDHN CC[C@@H](C)N(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000597854177 347595375 /nfs/dbraw/zinc/59/53/75/347595375.db2.gz CYBCVTUKVRMYOE-ZBFHGGJFSA-N 0 3 272.392 3.406 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(C)CCCC1)C(C)C ZINC000598109756 347628228 /nfs/dbraw/zinc/62/82/28/347628228.db2.gz XOJIMKNTAKVCAW-MRXNPFEDSA-N 0 3 292.467 3.382 20 30 CGEDHN CCN(C(=O)c1cccc(CN2CCCCC2)c1)[C@H](C)C#N ZINC000598351078 347647518 /nfs/dbraw/zinc/64/75/18/347647518.db2.gz VTLKSSGNDRJLHZ-OAHLLOKOSA-N 0 3 299.418 3.047 20 30 CGEDHN C=CCCCN(C)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598674424 347677189 /nfs/dbraw/zinc/67/71/89/347677189.db2.gz WTVPBUZEJOSLMQ-UHFFFAOYSA-N 0 3 290.407 3.009 20 30 CGEDHN Cc1ccc2oc(CNC[C@H](O)CC(C)(C)C#N)cc2c1 ZINC000598706674 347680609 /nfs/dbraw/zinc/68/06/09/347680609.db2.gz TUKKBXJZWMVICE-CQSZACIVSA-N 0 3 286.375 3.132 20 30 CGEDHN CCC[C@H](CN[C@@H](C)c1cccc(C#N)c1)OCC ZINC000599061147 347712850 /nfs/dbraw/zinc/71/28/50/347712850.db2.gz OEYGYVZDFLLERJ-XJKSGUPXSA-N 0 3 260.381 3.414 20 30 CGEDHN CCO[C@@]1(C)C[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000599071928 347714381 /nfs/dbraw/zinc/71/43/81/347714381.db2.gz BXVHDUCLYMXVBA-ZACQAIPSSA-N 0 3 270.376 3.093 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000598618363 347671236 /nfs/dbraw/zinc/67/12/36/347671236.db2.gz WTENBPWGWUSXRK-JSGCOSHPSA-N 0 3 292.448 3.432 20 30 CGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000598613373 347671600 /nfs/dbraw/zinc/67/16/00/347671600.db2.gz WHFFWMUQJZIPNJ-JSGCOSHPSA-N 0 3 286.375 3.384 20 30 CGEDHN CSc1ccccc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598620831 347672500 /nfs/dbraw/zinc/67/25/00/347672500.db2.gz SIPMLSLOKFOULX-STQMWFEESA-N 0 3 292.448 3.360 20 30 CGEDHN COc1ccc([C@@H](NCCC(C)(C)C#N)C2CC2)cn1 ZINC000599703359 347767905 /nfs/dbraw/zinc/76/79/05/347767905.db2.gz MWHSKIKEDAGHCK-HNNXBMFYSA-N 0 3 273.380 3.071 20 30 CGEDHN Cc1ccc(CN[C@H](C)c2cccnc2)cc1C#N ZINC000599344622 347737477 /nfs/dbraw/zinc/73/74/77/347737477.db2.gz GQCRDQRDWWRQJK-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN Cc1ccc(CN2CC[C@H](Cc3ccncc3)C2)cc1C#N ZINC000599357927 347738731 /nfs/dbraw/zinc/73/87/31/347738731.db2.gz YSLYJUCZCFOSIR-GOSISDBHSA-N 0 3 291.398 3.326 20 30 CGEDHN Cc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1C#N ZINC000599380116 347740242 /nfs/dbraw/zinc/74/02/42/347740242.db2.gz BBBBKGAGTIPPFM-SFHVURJKSA-N 0 3 284.403 3.258 20 30 CGEDHN CCOC1(C)CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599429769 347743739 /nfs/dbraw/zinc/74/37/39/347743739.db2.gz RZCKTQNNPHYTGU-UHFFFAOYSA-N 0 3 272.392 3.258 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C)C1(F)F ZINC000599515051 347749765 /nfs/dbraw/zinc/74/97/65/347749765.db2.gz PBBJFHIUJKDBBG-BETUJISGSA-N 0 3 278.346 3.476 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000599526472 347750647 /nfs/dbraw/zinc/75/06/47/347750647.db2.gz MMPARYYFDQRVLB-GFCCVEGCSA-N 0 3 276.336 3.001 20 30 CGEDHN C/C=C\C[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212820 347794283 /nfs/dbraw/zinc/79/42/83/347794283.db2.gz ICFGXVXTVGKJJX-GWQWAINWSA-N 0 3 294.402 3.384 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)[C@H](C)O1 ZINC000601149714 347875440 /nfs/dbraw/zinc/87/54/40/347875440.db2.gz QJYMVFLZKXJGPO-JKIFEVAISA-N 0 3 288.391 3.025 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CCC2)[C@H]2CCCO2)cc1F ZINC000601156347 347876287 /nfs/dbraw/zinc/87/62/87/347876287.db2.gz PPLQFILIBHTDQQ-IAGOWNOFSA-N 0 3 288.366 3.135 20 30 CGEDHN COC1CCC(CCNCc2cccc(F)c2C#N)CC1 ZINC000602014850 347933378 /nfs/dbraw/zinc/93/33/78/347933378.db2.gz IAYGRCOAYRPVSA-UHFFFAOYSA-N 0 3 290.382 3.382 20 30 CGEDHN C[C@@H](CNCc1cccc(F)c1C#N)CC(F)F ZINC000602020701 347933915 /nfs/dbraw/zinc/93/39/15/347933915.db2.gz SBWDJIIPVUMYRV-SECBINFHSA-N 0 3 256.271 3.078 20 30 CGEDHN C[C@H](CNCc1cccc(F)c1C#N)CC(F)(F)F ZINC000602022159 347934264 /nfs/dbraw/zinc/93/42/64/347934264.db2.gz XUENBVVAQSOTNV-VIFPVBQESA-N 0 3 274.261 3.375 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000601852220 347920237 /nfs/dbraw/zinc/92/02/37/347920237.db2.gz SXSWIVCSXLSFBW-SSDOTTSWSA-N 0 3 290.672 3.135 20 30 CGEDHN C[C@@H]1CCN(Cc2cccc(C#N)n2)[C@@H]2CCCC[C@@H]12 ZINC000602444335 347959168 /nfs/dbraw/zinc/95/91/68/347959168.db2.gz GPAIOEFFZWMLBW-XOKHGSTOSA-N 0 3 269.392 3.354 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000602463483 347962248 /nfs/dbraw/zinc/96/22/48/347962248.db2.gz GQCOXXQQCBKYCW-QGZVFWFLSA-N 0 3 291.398 3.408 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(C2CCC(C)CC2)CC1 ZINC000602467603 347962880 /nfs/dbraw/zinc/96/28/80/347962880.db2.gz HJSRYKOJRLKJCH-AQFXKWCLSA-N 0 3 277.456 3.123 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000602472180 347963603 /nfs/dbraw/zinc/96/36/03/347963603.db2.gz OWLHQIHLIHBZLA-KRWDZBQOSA-N 0 3 267.376 3.276 20 30 CGEDHN C[C@@H](CCc1ccccc1)NCc1cccc(C#N)n1 ZINC000602502610 347971594 /nfs/dbraw/zinc/97/15/94/347971594.db2.gz HDAKMKDIZZXGNX-AWEZNQCLSA-N 0 3 265.360 3.064 20 30 CGEDHN CC(C)[C@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602511454 347973093 /nfs/dbraw/zinc/97/30/93/347973093.db2.gz RYNLRAHBMSUINF-SFHVURJKSA-N 0 3 279.387 3.483 20 30 CGEDHN C[C@H](NC1CCC(C#N)CC1)c1cn(-c2ccccc2)nn1 ZINC000602570633 347984856 /nfs/dbraw/zinc/98/48/56/347984856.db2.gz UPPIQIJPJSFGEG-NFOMZHRRSA-N 0 3 295.390 3.000 20 30 CGEDHN CCC[C@@H](CN[C@@H](CCC#N)c1ccccc1)OC ZINC000602583591 347988664 /nfs/dbraw/zinc/98/86/64/347988664.db2.gz RUHZCSUCEJOHFT-HOTGVXAUSA-N 0 3 260.381 3.436 20 30 CGEDHN C=CC[C@@H](CC)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647725 348000500 /nfs/dbraw/zinc/00/05/00/348000500.db2.gz MABQSNYRBFAFSD-SNVBAGLBSA-N 0 3 275.308 3.180 20 30 CGEDHN C[C@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CS1 ZINC000602656673 348001870 /nfs/dbraw/zinc/00/18/70/348001870.db2.gz CWEIZSSGIHWVBN-CABZTGNLSA-N 0 3 266.797 3.195 20 30 CGEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CS1 ZINC000602657264 348002725 /nfs/dbraw/zinc/00/27/25/348002725.db2.gz CWEIZSSGIHWVBN-JOYOIKCWSA-N 0 3 266.797 3.195 20 30 CGEDHN CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1cccc(C#N)n1 ZINC000602683046 348008137 /nfs/dbraw/zinc/00/81/37/348008137.db2.gz OTCCKCHMFLNFRY-HZPDHXFCSA-N 0 3 257.381 3.066 20 30 CGEDHN N#Cc1cccc(CN2CCCC3(CCCC3)CC2)n1 ZINC000602706841 348014393 /nfs/dbraw/zinc/01/43/93/348014393.db2.gz MUJRCPJRBKQNLV-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN C/C=C\C[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602729005 348019282 /nfs/dbraw/zinc/01/92/82/348019282.db2.gz HAAZGRFDSIWLCL-PYLYLYNFSA-N 0 3 255.365 3.131 20 30 CGEDHN COCCN(CC1(CC#N)CC1)[C@@H](C)c1ccccc1 ZINC000602767043 348025670 /nfs/dbraw/zinc/02/56/70/348025670.db2.gz UZFDVLBOUYZQJB-HNNXBMFYSA-N 0 3 272.392 3.390 20 30 CGEDHN N#CCC1(CN2CC[C@H](c3ccccc3F)C2)CC1 ZINC000602775083 348026240 /nfs/dbraw/zinc/02/62/40/348026240.db2.gz FZFCYMZKFZQKBT-ZDUSSCGKSA-N 0 3 258.340 3.309 20 30 CGEDHN C[C@H](CCC#N)CNCc1c(F)cccc1OC(F)F ZINC000602561519 347982347 /nfs/dbraw/zinc/98/23/47/347982347.db2.gz RWZFFTFPEKRREV-SNVBAGLBSA-N 0 3 286.297 3.457 20 30 CGEDHN CO[C@@H](C)c1nc(CNC2CCC(C#N)CC2)cs1 ZINC000602563643 347982694 /nfs/dbraw/zinc/98/26/94/347982694.db2.gz FPUZOYYUOYBSQW-UNXYVOJBSA-N 0 3 279.409 3.022 20 30 CGEDHN Cc1nc2c(s1)[C@@H](N(C)CC1(CC#N)CC1)CCC2 ZINC000602790062 348030701 /nfs/dbraw/zinc/03/07/01/348030701.db2.gz GBVFVXDURLUPMQ-ZDUSSCGKSA-N 0 3 275.421 3.455 20 30 CGEDHN CC(C)(C)OC(=O)C1(C)CCN(CC2(CC#N)CC2)CC1 ZINC000602850927 348036428 /nfs/dbraw/zinc/03/64/28/348036428.db2.gz IKRSPSJLJUAHDU-UHFFFAOYSA-N 0 3 292.423 3.124 20 30 CGEDHN N#CCC1(CN2CC3CC2(c2ccccc2)C3)CC1 ZINC000602901308 348041722 /nfs/dbraw/zinc/04/17/22/348041722.db2.gz HCXBWVKJDAVDIW-UHFFFAOYSA-N 0 3 252.361 3.301 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)C(C)C ZINC000604332308 348116124 /nfs/dbraw/zinc/11/61/24/348116124.db2.gz XFENVYUUCYXLSV-CVEARBPZSA-N 0 3 294.483 3.483 20 30 CGEDHN C=CCCCN(C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000605738752 348167441 /nfs/dbraw/zinc/16/74/41/348167441.db2.gz GSQHTQYVQRWHCJ-UHFFFAOYSA-N 0 3 267.756 3.467 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000605738796 348167470 /nfs/dbraw/zinc/16/74/70/348167470.db2.gz YMQSRORZNOUJAO-SFHVURJKSA-N 0 3 288.435 3.398 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610422385 348382405 /nfs/dbraw/zinc/38/24/05/348382405.db2.gz QOHQJDTZNXBZAX-TZMCWYRMSA-N 0 3 281.359 3.034 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000609843643 348354217 /nfs/dbraw/zinc/35/42/17/348354217.db2.gz OYELXMJLYVEXIB-JTQLQIEISA-N 0 3 298.308 3.259 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000609920360 348357721 /nfs/dbraw/zinc/35/77/21/348357721.db2.gz HWWZFTRCUIUTLH-MRVPVSSYSA-N 0 3 271.147 3.111 20 30 CGEDHN C[C@H]1Cc2ccccc2CN1CCOc1cccc(C#N)c1 ZINC000357772653 233001393 /nfs/dbraw/zinc/00/13/93/233001393.db2.gz CQAULASARHWASG-HNNXBMFYSA-N 0 3 292.382 3.384 20 30 CGEDHN C[C@@H]1CCN(Cc2ccnc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000610991975 348413827 /nfs/dbraw/zinc/41/38/27/348413827.db2.gz NTUNLGVAYLBGAO-XOKHGSTOSA-N 0 3 269.392 3.354 20 30 CGEDHN CCC[C@H]1[C@H](C)CCCN1Cc1ccnc(C#N)c1 ZINC000610994979 348417109 /nfs/dbraw/zinc/41/71/09/348417109.db2.gz QFLWJMWCWZTDKM-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN COC[C@H](CC(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610829785 348404995 /nfs/dbraw/zinc/40/49/95/348404995.db2.gz LEOQABXMVVLXCT-BBRMVZONSA-N 0 3 260.381 3.270 20 30 CGEDHN COCCN(Cc1cc(C#N)cs1)C1CCCC1 ZINC000611257680 348432111 /nfs/dbraw/zinc/43/21/11/348432111.db2.gz IJLJLQHBUYDNBD-UHFFFAOYSA-N 0 3 264.394 3.011 20 30 CGEDHN CCCCOCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392606 348445386 /nfs/dbraw/zinc/44/53/86/348445386.db2.gz XNKTTWOSEYMDSP-QGZVFWFLSA-N 0 3 272.392 3.342 20 30 CGEDHN COc1ccc([C@@H](NCc2ccnc(C#N)c2)C2CC2)cc1 ZINC000611433411 348451784 /nfs/dbraw/zinc/45/17/84/348451784.db2.gz XTXJQHQDWJEENO-SFHVURJKSA-N 0 3 293.370 3.203 20 30 CGEDHN CC(C)(C#N)CCN1CCC(c2ccccn2)CC1 ZINC000611462756 348453276 /nfs/dbraw/zinc/45/32/76/348453276.db2.gz KWDMSNADRMJLLN-UHFFFAOYSA-N 0 3 257.381 3.201 20 30 CGEDHN CC(C)(C)OC1CC(NCc2ccc(C#N)cc2F)C1 ZINC000611519503 348458311 /nfs/dbraw/zinc/45/83/11/348458311.db2.gz LLNFEJKOGUMMTB-UHFFFAOYSA-N 0 3 276.355 3.133 20 30 CGEDHN Cc1csc(CCN[C@H](C)c2ccc(C#N)cc2F)n1 ZINC000611586874 348462117 /nfs/dbraw/zinc/46/21/17/348462117.db2.gz VLVYMBFUJKOEGZ-LLVKDONJSA-N 0 3 289.379 3.356 20 30 CGEDHN C[C@@H]1[C@@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614176821 348654887 /nfs/dbraw/zinc/65/48/87/348654887.db2.gz LXMAESKHZOFSRZ-HUUCEWRRSA-N 0 3 285.435 3.012 20 30 CGEDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000614402378 348674183 /nfs/dbraw/zinc/67/41/83/348674183.db2.gz CBNNVWONZLFAAP-GOSISDBHSA-N 0 3 294.402 3.246 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000614407658 348674837 /nfs/dbraw/zinc/67/48/37/348674837.db2.gz VPDDSSCFFVMHQN-SJORKVTESA-N 0 3 286.419 3.096 20 30 CGEDHN C[C@H](NC[C@H](O)CC1CCCC1)c1cccc(C#N)c1 ZINC000616113885 348787112 /nfs/dbraw/zinc/78/71/12/348787112.db2.gz IXDWQVYZXLTPAA-SUMWQHHRSA-N 0 3 272.392 3.150 20 30 CGEDHN CC(C)[C@H]1C[C@@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000352019978 219289907 /nfs/dbraw/zinc/28/99/07/219289907.db2.gz DZGGPFRKOKIQDT-WMLDXEAASA-N 0 3 290.382 3.238 20 30 CGEDHN CC(C)[C@H]1C[C@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000352019977 219291450 /nfs/dbraw/zinc/29/14/50/219291450.db2.gz DZGGPFRKOKIQDT-RHSMWYFYSA-N 0 3 290.382 3.238 20 30 CGEDHN C=CCOCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618988284 349192267 /nfs/dbraw/zinc/19/22/67/349192267.db2.gz BOACDKQNYNHVMG-OAHLLOKOSA-N 0 3 290.363 3.109 20 30 CGEDHN Cc1ccc(NC[C@H](C)CCC#N)c(CN(C)C)c1 ZINC000618887528 349175696 /nfs/dbraw/zinc/17/56/96/349175696.db2.gz ARMGCCYATDLGOX-CQSZACIVSA-N 0 3 259.397 3.408 20 30 CGEDHN COc1ccc([C@@H](C)[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000619428930 349248627 /nfs/dbraw/zinc/24/86/27/349248627.db2.gz OERHYVDEBJGITN-QWHCGFSZSA-N 0 3 260.381 3.327 20 30 CGEDHN N#CC1(CCCN2CCC[C@H]2c2ccccn2)CCOCC1 ZINC000619620728 349263092 /nfs/dbraw/zinc/26/30/92/349263092.db2.gz QEQRJOMFBXIQEF-KRWDZBQOSA-N 0 3 299.418 3.319 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]2C2CCC2)c(F)c1 ZINC000619753514 349281656 /nfs/dbraw/zinc/28/16/56/349281656.db2.gz GPRBOPZOFZZYPF-GOEBONIOSA-N 0 3 258.340 3.366 20 30 CGEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccsc1 ZINC000619782906 349285036 /nfs/dbraw/zinc/28/50/36/349285036.db2.gz ODMFGVHGWYYKPA-GFCCVEGCSA-N 0 3 272.373 3.349 20 30 CGEDHN C=CCC[C@@H](NCCN(C)CC(F)F)c1ccco1 ZINC000624328032 350028247 /nfs/dbraw/zinc/02/82/47/350028247.db2.gz OCGHRBFVEDQODM-GFCCVEGCSA-N 0 3 272.339 3.073 20 30 CGEDHN C=CCN(C[C@@H](OC)c1ccc(F)cc1)[C@@H](C)COC ZINC000625530137 350181024 /nfs/dbraw/zinc/18/10/24/350181024.db2.gz IXBQUWDODBVLFY-XJKSGUPXSA-N 0 3 281.371 3.036 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000625703201 350199249 /nfs/dbraw/zinc/19/92/49/350199249.db2.gz YZCGKACIAGWMMF-HOTGVXAUSA-N 0 3 286.419 3.104 20 30 CGEDHN C=CC[C@H]1CCN(CCCn2c3ccccc3[nH]c2=O)C1 ZINC000625701879 350199663 /nfs/dbraw/zinc/19/96/63/350199663.db2.gz CFTDKWFJPRVYDF-AWEZNQCLSA-N 0 3 285.391 3.030 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000625702334 350200101 /nfs/dbraw/zinc/20/01/01/350200101.db2.gz XLUNOCDLTNDDIH-MRXNPFEDSA-N 0 3 298.430 3.080 20 30 CGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC1(C)COC1 ZINC000625792240 350215012 /nfs/dbraw/zinc/21/50/12/350215012.db2.gz YCNDFENSQIXCIM-UHFFFAOYSA-N 0 3 297.320 3.025 20 30 CGEDHN C=CC(C)(C)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000625894899 350224147 /nfs/dbraw/zinc/22/41/47/350224147.db2.gz HAHWKEKIGREDBZ-UHFFFAOYSA-N 0 3 287.407 3.056 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000628405926 350529372 /nfs/dbraw/zinc/52/93/72/350529372.db2.gz XTDCPHWQOGGMDX-CYBMUJFWSA-N 0 3 261.365 3.102 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000628406335 350529712 /nfs/dbraw/zinc/52/97/12/350529712.db2.gz HSVOKQCAHCGKIG-LBPRGKRZSA-N 0 3 279.355 3.241 20 30 CGEDHN C=CC[C@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000628490731 350557604 /nfs/dbraw/zinc/55/76/04/350557604.db2.gz FZLXDGXHWKAXKE-DOTOQJQBSA-N 0 3 286.419 3.104 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000631313990 351023020 /nfs/dbraw/zinc/02/30/20/351023020.db2.gz UVCAHMDWDPTQIE-QGZVFWFLSA-N 0 3 298.430 3.124 20 30 CGEDHN C=CCC[C@H](CC)NCc1c(Br)cnn1C ZINC000631685637 351119312 /nfs/dbraw/zinc/11/93/12/351119312.db2.gz XJSOJAGZHHHFMT-JTQLQIEISA-N 0 3 286.217 3.017 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000632517831 351202966 /nfs/dbraw/zinc/20/29/66/351202966.db2.gz SBWOJKJFGCCVNC-ZBFHGGJFSA-N 0 3 286.419 3.150 20 30 CGEDHN CO[C@@H](C)[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000271432244 191133487 /nfs/dbraw/zinc/13/34/87/191133487.db2.gz CANMYEQCODNSQM-NEPJUHHUSA-N 0 3 285.309 3.070 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCc1ccccn1 ZINC000122886391 187057918 /nfs/dbraw/zinc/05/79/18/187057918.db2.gz ZJJWGZGNQRDTTI-AWEZNQCLSA-N 0 3 265.360 3.189 20 30 CGEDHN C=CCN(C[C@H](O)c1ccccc1Cl)C1CC1 ZINC000271472951 191158775 /nfs/dbraw/zinc/15/87/75/191158775.db2.gz RNJKMKBRLKBWKM-AWEZNQCLSA-N 0 3 251.757 3.024 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc(Cl)c1 ZINC000271682950 191276138 /nfs/dbraw/zinc/27/61/38/191276138.db2.gz KEUAFMOYLKMBJN-BXUZGUMPSA-N 0 3 253.773 3.318 20 30 CGEDHN CC(C)[C@H](O)C1(CN[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000271873345 191382619 /nfs/dbraw/zinc/38/26/19/191382619.db2.gz NJKJHWKCQACSJR-BBRMVZONSA-N 0 3 272.392 3.006 20 30 CGEDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1cccc(C#N)c1 ZINC000271876789 191383840 /nfs/dbraw/zinc/38/38/40/191383840.db2.gz OFKKZWHMJNGBBD-RDTXWAMCSA-N 0 3 280.371 3.333 20 30 CGEDHN N#Cc1cc(CN[C@H](CCCO)c2ccccc2)ccc1F ZINC000271858187 191371382 /nfs/dbraw/zinc/37/13/82/191371382.db2.gz YXWUTDOPLSFCOC-GOSISDBHSA-N 0 3 298.361 3.301 20 30 CGEDHN COC1([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000414294991 235381262 /nfs/dbraw/zinc/38/12/62/235381262.db2.gz CUNDQYKCFMLRIB-RYUDHWBXSA-N 0 3 276.355 3.306 20 30 CGEDHN N#Cc1ccc(CNCC2=CCOCC2)c(C(F)(F)F)c1 ZINC000449400163 283144756 /nfs/dbraw/zinc/14/47/56/283144756.db2.gz ADRDOJGOZKVNPJ-UHFFFAOYSA-N 0 3 296.292 3.013 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000176746467 283147669 /nfs/dbraw/zinc/14/76/69/283147669.db2.gz OWSTZJJFBZPENZ-MSOLQXFVSA-N 0 3 278.355 3.178 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000424187416 283147999 /nfs/dbraw/zinc/14/79/99/283147999.db2.gz VUIPPGLKCKPEII-LBPRGKRZSA-N 0 3 266.266 3.219 20 30 CGEDHN CC[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000128835089 138395187 /nfs/dbraw/zinc/39/51/87/138395187.db2.gz XMDXVSAAFKYFKA-CQSZACIVSA-N 0 3 282.391 3.218 20 30 CGEDHN N#Cc1csc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000449457221 283247265 /nfs/dbraw/zinc/24/72/65/283247265.db2.gz UGKPZCGKMPOSDA-XHSDSOJGSA-N 0 3 290.432 3.135 20 30 CGEDHN Cc1cccc(OC[C@@H](C)NCc2ccc(C#N)s2)c1 ZINC000176953740 189017019 /nfs/dbraw/zinc/01/70/19/189017019.db2.gz ODESBOAXKXIXCC-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN CCOCc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176946452 189016434 /nfs/dbraw/zinc/01/64/34/189016434.db2.gz RWRJJJPRZVFDBO-UHFFFAOYSA-N 0 3 286.400 3.446 20 30 CGEDHN C[C@](CO)(NCc1ccc(C#N)s1)C1CCCCC1 ZINC000176973902 189017988 /nfs/dbraw/zinc/01/79/88/189017988.db2.gz VQANGDWNHYXBSG-OAHLLOKOSA-N 0 3 278.421 3.041 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](CC)c1cc(F)ccc1F ZINC000179796274 189220597 /nfs/dbraw/zinc/22/05/97/189220597.db2.gz FCUDHQWPGLSVGP-WFASDCNBSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](CC)c1cc(F)ccc1F ZINC000179796287 189220853 /nfs/dbraw/zinc/22/08/53/189220853.db2.gz FCUDHQWPGLSVGP-SWLSCSKDSA-N 0 3 269.335 3.333 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@H](CCO)C2CCCCC2)c1 ZINC000181505535 189298346 /nfs/dbraw/zinc/29/83/46/189298346.db2.gz XLCTYCKOMLKOLB-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@@H](O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181564733 189301085 /nfs/dbraw/zinc/30/10/85/189301085.db2.gz HBIGDEYYZZLIHD-ZIAGYGMSSA-N 0 3 280.371 3.462 20 30 CGEDHN CCCN(CCC(C)(C)C#N)C[C@H]1CCCCO1 ZINC000119640531 370695339 /nfs/dbraw/zinc/69/53/39/370695339.db2.gz MNGKDHXEQWLRCV-CQSZACIVSA-N 0 3 252.402 3.207 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)CCc1ccc(F)cc1 ZINC000120694895 370792670 /nfs/dbraw/zinc/79/26/70/370792670.db2.gz INAQDOOMYCYDDT-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C12CCC2 ZINC000120949814 370816357 /nfs/dbraw/zinc/81/63/57/370816357.db2.gz PWGBGFZHBHXGMS-DLBZAZTESA-N 0 3 284.403 3.338 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccc(C#N)o1 ZINC000459762661 242217659 /nfs/dbraw/zinc/21/76/59/242217659.db2.gz UCQGRVJDKYSWTG-LBPRGKRZSA-N 0 3 272.323 3.353 20 30 CGEDHN N#CCCCCNCc1ccc(F)cc1Br ZINC000124252969 370923120 /nfs/dbraw/zinc/92/31/20/370923120.db2.gz GBOLYNWTWCWYOB-UHFFFAOYSA-N 0 3 285.160 3.372 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1ccc(F)cc1 ZINC000125628610 370939152 /nfs/dbraw/zinc/93/91/52/370939152.db2.gz PDLIEYKXWRTELR-HNNXBMFYSA-N 0 3 251.345 3.459 20 30 CGEDHN CCCCN(CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019846839 368773114 /nfs/dbraw/zinc/77/31/14/368773114.db2.gz LAIWSAMPWGOEEL-CYBMUJFWSA-N 0 3 273.380 3.007 20 30 CGEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000026466424 368859981 /nfs/dbraw/zinc/85/99/81/368859981.db2.gz ABGYQYIXZZINBK-CZUORRHYSA-N 0 3 285.391 3.007 20 30 CGEDHN CN(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000034674006 368976683 /nfs/dbraw/zinc/97/66/83/368976683.db2.gz FTZWOGBGRWCWLF-UHFFFAOYSA-N 0 3 266.344 3.069 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCc3c2cccc3O)c1 ZINC000037748858 369102807 /nfs/dbraw/zinc/10/28/07/369102807.db2.gz PRJBKPLDCGKDQA-MRXNPFEDSA-N 0 3 264.328 3.041 20 30 CGEDHN CN(Cc1cc(C#N)ccc1F)C(C1CC1)C1CC1 ZINC000050989040 369446570 /nfs/dbraw/zinc/44/65/70/369446570.db2.gz JOHWRKMCOSWRME-UHFFFAOYSA-N 0 3 258.340 3.318 20 30 CGEDHN CC(C)CN1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000051650250 369452222 /nfs/dbraw/zinc/45/22/22/369452222.db2.gz RMUKJYKCSIEWPS-UHFFFAOYSA-N 0 3 298.843 3.200 20 30 CGEDHN CCN1CCC[C@@H]1CNc1ccc(Cl)cc1C#N ZINC000052856886 369473796 /nfs/dbraw/zinc/47/37/96/369473796.db2.gz LULAEAFUTTYPNE-CYBMUJFWSA-N 0 3 263.772 3.108 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccc(OC)cc1 ZINC000054183563 369497353 /nfs/dbraw/zinc/49/73/53/369497353.db2.gz TZJLOUDUPKRQON-HIFRSBDPSA-N 0 3 260.381 3.298 20 30 CGEDHN N#Cc1cccc(NC(=O)CN2CCC[C@H]2C2CCCC2)c1 ZINC000055928117 369523465 /nfs/dbraw/zinc/52/34/65/369523465.db2.gz ZYXDKLUMKRUIKU-KRWDZBQOSA-N 0 3 297.402 3.151 20 30 CGEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)C(C)C ZINC000075673591 369915356 /nfs/dbraw/zinc/91/53/56/369915356.db2.gz MQGYAFYQGPADEL-CYBMUJFWSA-N 0 3 298.390 3.475 20 30 CGEDHN C=C(C)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917743 370298149 /nfs/dbraw/zinc/29/81/49/370298149.db2.gz BXZUNGQJOHYVOH-UHFFFAOYSA-N 0 3 276.355 3.052 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)CC[C@H]1C ZINC000130477187 371036931 /nfs/dbraw/zinc/03/69/31/371036931.db2.gz MGHCWMNKNHNKCE-QWHCGFSZSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000132680190 371193573 /nfs/dbraw/zinc/19/35/73/371193573.db2.gz ZVBCKBHSLPGQMU-AWEZNQCLSA-N 0 3 260.381 3.302 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(Cl)cc2)o1 ZINC000135123781 371393172 /nfs/dbraw/zinc/39/31/72/371393172.db2.gz PTKBBXUIBZAIHJ-UHFFFAOYSA-N 0 3 260.724 3.137 20 30 CGEDHN N#Cc1ccc(CNCc2ccccc2-n2cccn2)s1 ZINC000135688012 371443951 /nfs/dbraw/zinc/44/39/51/371443951.db2.gz JJUPPUIKEGWRHG-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN C[C@H]1C[C@H](Nc2cc(C#N)ccn2)CN1Cc1ccccc1 ZINC000287981620 371723953 /nfs/dbraw/zinc/72/39/53/371723953.db2.gz UXHSTCCBFAMQHW-YOEHRIQHSA-N 0 3 292.386 3.028 20 30 CGEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccncc1Cl ZINC000421859126 371681638 /nfs/dbraw/zinc/68/16/38/371681638.db2.gz SGOIDJZYLIZGED-GFCCVEGCSA-N 0 3 285.778 3.500 20 30 CGEDHN N#Cc1cccc(CNCc2cc(-n3ccnc3)cs2)c1 ZINC000344102555 217052137 /nfs/dbraw/zinc/05/21/37/217052137.db2.gz FRNYYNICMUXJED-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN C=CCCOCCNCc1c(C)oc2ccccc21 ZINC000156284668 371971644 /nfs/dbraw/zinc/97/16/44/371971644.db2.gz VAMKSVWBEVFLEJ-UHFFFAOYSA-N 0 3 259.349 3.424 20 30 CGEDHN CC#CCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000157640202 372031172 /nfs/dbraw/zinc/03/11/72/372031172.db2.gz WRUMLUAFPIBWFB-CYBMUJFWSA-N 0 3 254.333 3.031 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1c(CC)nn(C)c1CC ZINC000426551534 372163594 /nfs/dbraw/zinc/16/35/94/372163594.db2.gz ZGMACLBKHRQVLK-ZDUSSCGKSA-N 0 3 261.413 3.085 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)o1 ZINC000292784164 372209527 /nfs/dbraw/zinc/20/95/27/372209527.db2.gz ULCHIIUTOQMTGA-MQMHXKEQSA-N 0 3 270.307 3.326 20 30 CGEDHN C=CCOc1cccc(CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000428561572 372234181 /nfs/dbraw/zinc/23/41/81/372234181.db2.gz VTYUQFBDXKHTEG-INIZCTEOSA-N 0 3 295.382 3.214 20 30 CGEDHN C=CCOc1cccc(CNC2CC(F)(F)C2)c1 ZINC000428638289 372240924 /nfs/dbraw/zinc/24/09/24/372240924.db2.gz GRMPJCDOIHWSMZ-UHFFFAOYSA-N 0 3 253.292 3.139 20 30 CGEDHN Cc1ccsc1[C@H](CO)N[C@H](C)c1cccc(C#N)c1 ZINC000344292854 217136325 /nfs/dbraw/zinc/13/63/25/217136325.db2.gz PYTQLVVONOMLAD-DOMZBBRYSA-N 0 3 286.400 3.312 20 30 CGEDHN C=CCC(C)(C)CNCc1ccc(OC)c(OC)c1OC ZINC000293101318 372299866 /nfs/dbraw/zinc/29/98/66/372299866.db2.gz XSKBMBVCKLEJLP-UHFFFAOYSA-N 0 3 293.407 3.404 20 30 CGEDHN C=CCN1CC[C@H](N(C(C)C)[C@@H](C)c2ccccc2)C1=O ZINC000428864311 372273578 /nfs/dbraw/zinc/27/35/78/372273578.db2.gz SVJWNFZQIOEDJE-RDJZCZTQSA-N 0 3 286.419 3.245 20 30 CGEDHN C=C(C)[C@@H](NC[C@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC000293000949 372274252 /nfs/dbraw/zinc/27/42/52/372274252.db2.gz SULWMBRKCAGTPY-LSDHHAIUSA-N 0 3 269.335 3.189 20 30 CGEDHN Cc1ccc([C@@H](CNc2nc(C)ccc2C#N)N(C)C)cc1 ZINC000160883204 372285651 /nfs/dbraw/zinc/28/56/51/372285651.db2.gz CGNZVQRXIJTDNG-QGZVFWFLSA-N 0 3 294.402 3.285 20 30 CGEDHN C=CCOCCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429234469 372325796 /nfs/dbraw/zinc/32/57/96/372325796.db2.gz HGXMIQXQSKWCQQ-UHFFFAOYSA-N 0 3 278.352 3.012 20 30 CGEDHN C[C@@H]1CC[C@H](N(CC#Cc2ccc(Cl)cc2)CCO)C1 ZINC000429768513 372377392 /nfs/dbraw/zinc/37/73/92/372377392.db2.gz SREQQACFGPMPEB-PBHICJAKSA-N 0 3 291.822 3.174 20 30 CGEDHN CC(C)(C)c1ncc(CNCC2(CC#N)CC2)s1 ZINC000430059876 372383318 /nfs/dbraw/zinc/38/33/18/372383318.db2.gz QZNLNDZLZRWTBU-UHFFFAOYSA-N 0 3 263.410 3.224 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)COC2 ZINC000430744976 372394088 /nfs/dbraw/zinc/39/40/88/372394088.db2.gz XBOKLZLGKZVMEL-LBPRGKRZSA-N 0 3 256.349 3.061 20 30 CGEDHN COc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1F ZINC000430745780 372394238 /nfs/dbraw/zinc/39/42/38/372394238.db2.gz OLSWIFUIOKVENE-LLVKDONJSA-N 0 3 262.328 3.179 20 30 CGEDHN C=CCOCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000293552666 372409187 /nfs/dbraw/zinc/40/91/87/372409187.db2.gz LHZDWBPLBSSELM-MOPGFXCFSA-N 0 3 297.398 3.254 20 30 CGEDHN CC[C@@H]1CCCCN1CCNCc1ccc(C#N)cc1F ZINC000344407337 217184659 /nfs/dbraw/zinc/18/46/59/217184659.db2.gz KITRBHJPLTWJKX-MRXNPFEDSA-N 0 3 289.398 3.051 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@@H](C)c1cccc(C#N)c1)OC ZINC000294095356 372580173 /nfs/dbraw/zinc/58/01/73/372580173.db2.gz BLVDAWHCOOVOJP-HEHGZKQESA-N 0 3 260.381 3.270 20 30 CGEDHN C#CCSCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294570358 372660641 /nfs/dbraw/zinc/66/06/41/372660641.db2.gz BVYPIIMUKJSCDG-ZDUSSCGKSA-N 0 3 263.406 3.026 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccccc1Cl ZINC000435736011 372799960 /nfs/dbraw/zinc/79/99/60/372799960.db2.gz SJKQTPOLQCDBSG-DZGCQCFKSA-N 0 3 265.784 3.411 20 30 CGEDHN CCCN(CC#Cc1ccc(F)cc1)C[C@H]1CCCCO1 ZINC000440309281 372986051 /nfs/dbraw/zinc/98/60/51/372986051.db2.gz AMWDVMVGBBOCBE-GOSISDBHSA-N 0 3 289.394 3.458 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000442788213 373081611 /nfs/dbraw/zinc/08/16/11/373081611.db2.gz WKMQVPNBMIDCSY-AAEUAGOBSA-N 0 3 298.308 3.366 20 30 CGEDHN COc1ccc([C@H](OC)[C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442828326 373098686 /nfs/dbraw/zinc/09/86/86/373098686.db2.gz MRMHDVICEHWFCK-GZIXRCOHSA-N 0 3 288.391 3.053 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1ccncc1OCC(F)F ZINC000442859944 373107298 /nfs/dbraw/zinc/10/72/98/373107298.db2.gz VYNZHSRCJKGPAC-NEPJUHHUSA-N 0 3 284.350 3.416 20 30 CGEDHN Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c(OCCN(C)C)c1 ZINC000442864013 373109426 /nfs/dbraw/zinc/10/94/26/373109426.db2.gz YGKXVRJFPIQWLO-HUUCEWRRSA-N 0 3 287.407 3.040 20 30 CGEDHN CC[C@@H](C)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000296267207 373073335 /nfs/dbraw/zinc/07/33/35/373073335.db2.gz YCYLVNCRCZDTGT-OAHLLOKOSA-N 0 3 290.838 3.108 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2nc(Cl)ccc21 ZINC000296811356 373249045 /nfs/dbraw/zinc/24/90/45/373249045.db2.gz LWTRQOXARVDSRD-CYBMUJFWSA-N 0 3 280.799 3.295 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCO[C@H]2c2ccccc2)o1 ZINC000174305304 373288154 /nfs/dbraw/zinc/28/81/54/373288154.db2.gz FNAHVGVNNUGRQY-YJBOKZPZSA-N 0 3 296.370 3.409 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000446877830 373373987 /nfs/dbraw/zinc/37/39/87/373373987.db2.gz OVOMNMMUUICREM-LRDDRELGSA-N 0 3 282.318 3.191 20 30 CGEDHN C[C@H](CO)N(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000298505092 373341223 /nfs/dbraw/zinc/34/12/23/373341223.db2.gz KJKXTCUFCALXPK-CQSZACIVSA-N 0 3 280.371 3.038 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)o1)Oc1ccccc1Cl ZINC000174589638 373341368 /nfs/dbraw/zinc/34/13/68/373341368.db2.gz MCCWOPBTCFULHD-NSHDSACASA-N 0 3 290.750 3.362 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)o1)Oc1cccc(Cl)c1 ZINC000174587844 373341388 /nfs/dbraw/zinc/34/13/88/373341388.db2.gz PVGSTWNSFSGZNI-NSHDSACASA-N 0 3 290.750 3.362 20 30 CGEDHN Cc1cc(C)nc(NCc2ccc(C#N)cc2F)c1 ZINC000344986240 217377385 /nfs/dbraw/zinc/37/73/85/217377385.db2.gz RHAUXHUBNUWNPF-UHFFFAOYSA-N 0 3 255.296 3.321 20 30 CGEDHN CC[C@@H](NCc1ccn(C)c1)c1ccc(C#N)cc1 ZINC000447579656 373454921 /nfs/dbraw/zinc/45/49/21/373454921.db2.gz LCNKWRCEARUSQU-MRXNPFEDSA-N 0 3 253.349 3.138 20 30 CGEDHN COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000447589150 373459627 /nfs/dbraw/zinc/45/96/27/373459627.db2.gz WZJWMSIAIHZKJA-RCBQFDQVSA-N 0 3 276.355 3.185 20 30 CGEDHN C=CCCCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000175653946 373499358 /nfs/dbraw/zinc/49/93/58/373499358.db2.gz WCJZMQAHMMGMKI-MRXNPFEDSA-N 0 3 284.403 3.354 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CC)CCCCC1 ZINC000448599998 373621600 /nfs/dbraw/zinc/62/16/00/373621600.db2.gz BLEZRBZJBRXQQZ-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]3CCC[C@H]32)c1F ZINC000300239222 373622251 /nfs/dbraw/zinc/62/22/51/373622251.db2.gz LZQBHISUYIIFNC-IUODEOHRSA-N 0 3 258.340 3.462 20 30 CGEDHN C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000448702147 373635657 /nfs/dbraw/zinc/63/56/57/373635657.db2.gz RPOHWMCPQGNOBE-KSSFIOAISA-N 0 3 297.402 3.161 20 30 CGEDHN COc1cc(CN2C[C@@H](C)CC[C@H]2C)ccc1C#N ZINC000300115133 373620496 /nfs/dbraw/zinc/62/04/96/373620496.db2.gz CCATXZQKULHXFW-QWHCGFSZSA-N 0 3 258.365 3.187 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)CCCC#N)C1(CC)CC ZINC000177405771 373682054 /nfs/dbraw/zinc/68/20/54/373682054.db2.gz BYQZMIACNQVEIT-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN C=C(C)CCNCc1cnc([C@H]2CCCO2)s1 ZINC000449475180 373762123 /nfs/dbraw/zinc/76/21/23/373762123.db2.gz KUGAFEGUOIUOIE-GFCCVEGCSA-N 0 3 252.383 3.050 20 30 CGEDHN C=CCOc1ccc(CNC[C@](C)(CC)OC)cc1OC ZINC000449479506 373767498 /nfs/dbraw/zinc/76/74/98/373767498.db2.gz VGCNVNWEMKTBLI-KRWDZBQOSA-N 0 3 293.407 3.165 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C)cc(Cl)c1 ZINC000449548987 373829742 /nfs/dbraw/zinc/82/97/42/373829742.db2.gz STCYBKIEUCWRIP-CABCVRRESA-N 0 3 265.784 3.472 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OC(F)F)c1 ZINC000449548822 373830275 /nfs/dbraw/zinc/83/02/75/373830275.db2.gz QZHRUNWCUUQSQY-KGLIPLIRSA-N 0 3 283.318 3.111 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)c(OC)c1 ZINC000449549548 373832448 /nfs/dbraw/zinc/83/24/48/373832448.db2.gz YYTCFPHPZCZINA-GLQYFDAESA-N 0 3 279.355 3.219 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OC)[C@H](C)C2)cc1 ZINC000449491899 373782484 /nfs/dbraw/zinc/78/24/84/373782484.db2.gz BAFLLGXJKGUZGW-RHSMWYFYSA-N 0 3 275.392 3.108 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)s1)C1(O)CCCC1 ZINC000449737313 373865596 /nfs/dbraw/zinc/86/55/96/373865596.db2.gz RNPYJBGYCBNLKE-UHFFFAOYSA-N 0 3 278.421 3.041 20 30 CGEDHN C=CCOc1ccc(CN2CC(C)(C)[C@H]3COC[C@H]32)cc1 ZINC000449781968 373910485 /nfs/dbraw/zinc/91/04/85/373910485.db2.gz JVNDFXRIEYXQJK-DLBZAZTESA-N 0 3 287.403 3.108 20 30 CGEDHN CO[C@H](Cc1ccccc1)CN(C)Cc1ccc(C#N)cc1 ZINC000450227234 374009054 /nfs/dbraw/zinc/00/90/54/374009054.db2.gz OWCRYSBMTCACQC-LJQANCHMSA-N 0 3 294.398 3.248 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000303504121 374021590 /nfs/dbraw/zinc/02/15/90/374021590.db2.gz AHNKXFKFUNNWRT-GOSISDBHSA-N 0 3 288.435 3.009 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000449989886 373979822 /nfs/dbraw/zinc/97/98/22/373979822.db2.gz VNRFDDLCMQIYNQ-HUUCEWRRSA-N 0 3 278.440 3.064 20 30 CGEDHN CC1CCC(N2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC000303695243 374027529 /nfs/dbraw/zinc/02/75/29/374027529.db2.gz NLWJWWTWIWCZHS-UHFFFAOYSA-N 0 3 297.446 3.255 20 30 CGEDHN C=CCN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180954553 374062990 /nfs/dbraw/zinc/06/29/90/374062990.db2.gz OXEXQTPZHWXEFN-JTQLQIEISA-N 0 3 259.271 3.464 20 30 CGEDHN C[C@@H](NCC1(O)CCCCC1)c1ccc(C#N)c(F)c1 ZINC000305786727 374111522 /nfs/dbraw/zinc/11/15/22/374111522.db2.gz BYDNKPGUQMTGTB-GFCCVEGCSA-N 0 3 276.355 3.043 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CN1C1CC1 ZINC000450380209 374091021 /nfs/dbraw/zinc/09/10/21/374091021.db2.gz RBOLORNIPXUDFW-GHMZBOCLSA-N 0 3 275.783 3.249 20 30 CGEDHN CC(C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000307783998 374152608 /nfs/dbraw/zinc/15/26/08/374152608.db2.gz XCXCGHHVVLSXEX-HOCLYGCPSA-N 0 3 299.418 3.253 20 30 CGEDHN C[C@H](NCCN(C)c1ccccc1)c1cccc(C#N)c1 ZINC000181986043 374200753 /nfs/dbraw/zinc/20/07/53/374200753.db2.gz SRKJCGCZYGLTNO-HNNXBMFYSA-N 0 3 279.387 3.345 20 30 CGEDHN CC[C@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000182314458 374256754 /nfs/dbraw/zinc/25/67/54/374256754.db2.gz ONDPZGVQHIRQIX-JKSUJKDBSA-N 0 3 277.795 3.239 20 30 CGEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1c(C)noc1C ZINC000182433809 374271471 /nfs/dbraw/zinc/27/14/71/374271471.db2.gz DDQVPWFREXKXLY-INIZCTEOSA-N 0 3 299.374 3.283 20 30 CGEDHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183045397 374361735 /nfs/dbraw/zinc/36/17/35/374361735.db2.gz UAAJWWFNZZQKBK-GHMZBOCLSA-N 0 3 293.798 3.174 20 30 CGEDHN C[S@](=O)C[C@H](NCCCC(C)(C)C#N)c1ccccc1 ZINC000183107471 374373921 /nfs/dbraw/zinc/37/39/21/374373921.db2.gz KOPBXWVEJWPYBI-YWZLYKJASA-N 0 3 292.448 3.026 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000453273552 374383586 /nfs/dbraw/zinc/38/35/86/374383586.db2.gz WIGWRMANVZUFDE-HWWQOWPSSA-N 0 3 278.371 3.409 20 30 CGEDHN CO[C@@H]([C@@H](C)N[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000453340004 374431952 /nfs/dbraw/zinc/43/19/52/374431952.db2.gz BOGPGHANPMQAOJ-UVWXRNBGSA-N 0 3 276.355 3.161 20 30 CGEDHN C[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000334203391 374657332 /nfs/dbraw/zinc/65/73/32/374657332.db2.gz TYVZDTUTEBITKL-GXTWGEPZSA-N 0 3 288.366 3.450 20 30 CGEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458262461 374739643 /nfs/dbraw/zinc/73/96/43/374739643.db2.gz KLMUUZSQTQRPNY-UHFFFAOYSA-N 0 3 297.358 3.082 20 30 CGEDHN C[C@@H](c1ccc(C#N)c(F)c1)N1CCC[C@]2(CCOC2)C1 ZINC000334531896 374828518 /nfs/dbraw/zinc/82/85/18/374828518.db2.gz XZELXVRPFOWPDA-GUYCJALGSA-N 0 3 288.366 3.261 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccccc1OC(F)(F)F ZINC000186696456 374900699 /nfs/dbraw/zinc/90/06/99/374900699.db2.gz HIABVBCSVYVLBH-GHMZBOCLSA-N 0 3 289.297 3.173 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000186699532 374901922 /nfs/dbraw/zinc/90/19/22/374901922.db2.gz JLWXBBVKXIDAPU-GXFFZTMASA-N 0 3 273.298 3.293 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000186684453 374898554 /nfs/dbraw/zinc/89/85/54/374898554.db2.gz CBTGVWCAXIDXHA-OCCSQVGLSA-N 0 3 289.375 3.419 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1sc(C(C)C)nc1C ZINC000186708143 374904170 /nfs/dbraw/zinc/90/41/70/374904170.db2.gz WUQMSUWXMMSWES-PWSUYJOCSA-N 0 3 268.426 3.163 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(OC(F)F)c1 ZINC000464859813 374911685 /nfs/dbraw/zinc/91/16/85/374911685.db2.gz YUGULDQRIDAHQL-BETUJISGSA-N 0 3 292.329 3.392 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470771521 374999591 /nfs/dbraw/zinc/99/95/91/374999591.db2.gz GBKBXUZNKJNWJQ-GOSISDBHSA-N 0 3 269.388 3.251 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](c1cc(F)ccc1F)C(C)C ZINC000479400605 375151230 /nfs/dbraw/zinc/15/12/30/375151230.db2.gz AQJRERLBPNKSCN-BLLLJJGKSA-N 0 3 283.362 3.436 20 30 CGEDHN CC#CCCNCc1cc(C(F)(F)F)ccc1F ZINC000482151234 375167543 /nfs/dbraw/zinc/16/75/43/375167543.db2.gz NYHXSKAKXUOBJI-UHFFFAOYSA-N 0 3 259.246 3.348 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000335092366 375125109 /nfs/dbraw/zinc/12/51/09/375125109.db2.gz AISUFSULWWOAQE-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](O)C23CCCC3)c(Cl)c1 ZINC000335226599 375244642 /nfs/dbraw/zinc/24/46/42/375244642.db2.gz BOMXQSFVXZXAOK-OAHLLOKOSA-N 0 3 290.794 3.091 20 30 CGEDHN Cn1cc(CN[C@@H](c2ccccc2)C2CC2)cc1C#N ZINC000189585201 375418319 /nfs/dbraw/zinc/41/83/19/375418319.db2.gz VKPSIURGRZMTQS-KRWDZBQOSA-N 0 3 265.360 3.138 20 30 CGEDHN Cn1cc(CN2CCC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC000191367553 375619040 /nfs/dbraw/zinc/61/90/40/375619040.db2.gz LRMHRTJQRVMDIC-LJQANCHMSA-N 0 3 293.414 3.450 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000335998446 375604924 /nfs/dbraw/zinc/60/49/24/375604924.db2.gz GINVTAFPJZOJLS-GXFFZTMASA-N 0 3 262.740 3.163 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000335999384 375606283 /nfs/dbraw/zinc/60/62/83/375606283.db2.gz XWCKPDDOOOZCIF-MNOVXSKESA-N 0 3 294.757 3.172 20 30 CGEDHN C=CCN1CC[C@H](NC2(c3cccc(C)c3)CCCC2)C1=O ZINC000499517354 375632236 /nfs/dbraw/zinc/63/22/36/375632236.db2.gz IVEBOWIMAOTTKT-KRWDZBQOSA-N 0 3 298.430 3.141 20 30 CGEDHN N#Cc1cc(F)ccc1CN[C@@H]1CCCC12CCOCC2 ZINC000336166887 375744486 /nfs/dbraw/zinc/74/44/86/375744486.db2.gz NCJLYQJURIUWLV-MRXNPFEDSA-N 0 3 288.366 3.136 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc3ncccc3c2)C1 ZINC000336364871 375782376 /nfs/dbraw/zinc/78/23/76/375782376.db2.gz KIABQRNCBFVSDD-IUODEOHRSA-N 0 3 251.333 3.017 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510552484 375786153 /nfs/dbraw/zinc/78/61/53/375786153.db2.gz VOQAPYSYQXMBGG-QAPCUYQASA-N 0 3 288.435 3.459 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@]3(CCN(C)C3)C2)CCCCC1 ZINC000336298567 375774376 /nfs/dbraw/zinc/77/43/76/375774376.db2.gz DSCJPAZRABCDQS-KRWDZBQOSA-N 0 3 290.451 3.067 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000336320995 375776356 /nfs/dbraw/zinc/77/63/56/375776356.db2.gz JCZRVTDWISZVLD-CPCISQLKSA-N 0 3 283.158 3.257 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1CC#Cc1ccc(F)cc1 ZINC000512463181 375795915 /nfs/dbraw/zinc/79/59/15/375795915.db2.gz OZPNVIZYENDREM-CRAIPNDOSA-N 0 3 289.394 3.193 20 30 CGEDHN C=CCCCCCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511627377 375791363 /nfs/dbraw/zinc/79/13/63/375791363.db2.gz NDTSNRFTALUBGG-QWHCGFSZSA-N 0 3 279.346 3.226 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOC1CCCCC1)CC2 ZINC000520463148 375857986 /nfs/dbraw/zinc/85/79/86/375857986.db2.gz SPYQWGAZXIOGMK-SFHVURJKSA-N 0 3 284.403 3.484 20 30 CGEDHN CC(C)(C)N1CCCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000522107123 375876807 /nfs/dbraw/zinc/87/68/07/375876807.db2.gz MPKYGVNJBOUDIW-UHFFFAOYSA-N 0 3 293.361 3.147 20 30 CGEDHN CC#CCN(CCCO)C(c1ccccc1)c1ccccc1 ZINC000533506706 375955294 /nfs/dbraw/zinc/95/52/94/375955294.db2.gz ZCWLEVJQTWUNLL-UHFFFAOYSA-N 0 3 293.410 3.484 20 30 CGEDHN CCN(CCOC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759803 375918745 /nfs/dbraw/zinc/91/87/45/375918745.db2.gz BSGALANPYOJEOL-AWEZNQCLSA-N 0 3 260.381 3.366 20 30 CGEDHN C=CCCN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000530733783 375943115 /nfs/dbraw/zinc/94/31/15/375943115.db2.gz YUTGVLJDGNZAGJ-LSDHHAIUSA-N 0 3 265.397 3.006 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cccc(Cl)c2C)CC1 ZINC000194581303 376021353 /nfs/dbraw/zinc/02/13/53/376021353.db2.gz QZLZLQFGXPENFL-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN N#CC1(CCCN2CCc3sccc3C2)CCOCC1 ZINC000337124509 376085211 /nfs/dbraw/zinc/08/52/11/376085211.db2.gz DBHRGJUZWFUFTB-UHFFFAOYSA-N 0 3 290.432 3.207 20 30 CGEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O ZINC000337136177 376092231 /nfs/dbraw/zinc/09/22/31/376092231.db2.gz MWUNFURTWVIZGO-MAUKXSAKSA-N 0 3 298.430 3.074 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C2CCC(C(C)(C)C)CC2)C1=O ZINC000337139818 376094543 /nfs/dbraw/zinc/09/45/43/376094543.db2.gz QLZZQKYCVHJACE-UYSNPLJNSA-N 0 3 292.467 3.310 20 30 CGEDHN C[C@H](NCCOc1ccccc1F)c1cccc(C#N)c1 ZINC000538394177 376238501 /nfs/dbraw/zinc/23/85/01/376238501.db2.gz QOIXGYSPSIWMCQ-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN COCC[C@H](NCc1cc(C#N)ccc1OC)C(C)(C)C ZINC000338366333 376352421 /nfs/dbraw/zinc/35/24/21/376352421.db2.gz XAGUIPPMAJGJLA-INIZCTEOSA-N 0 3 290.407 3.108 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCc3ccccc3OC2)c1F ZINC000338316120 376330528 /nfs/dbraw/zinc/33/05/28/376330528.db2.gz HICOJVABAILCKL-INIZCTEOSA-N 0 3 296.345 3.181 20 30 CGEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1ccncc1F ZINC000338341739 376341026 /nfs/dbraw/zinc/34/10/26/376341026.db2.gz FUJAXENYWCVJTN-CYBMUJFWSA-N 0 3 299.349 3.212 20 30 CGEDHN C[C@H]1CC(CCNCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000338476035 376385854 /nfs/dbraw/zinc/38/58/54/376385854.db2.gz FPNZUHIEJZFGSI-STQMWFEESA-N 0 3 290.382 3.381 20 30 CGEDHN CN(CC#Cc1ccc(F)cc1)C[C@H]1CC=CCC1 ZINC000541316030 376436166 /nfs/dbraw/zinc/43/61/66/376436166.db2.gz ZGQXCJHDWBOUPV-INIZCTEOSA-N 0 3 257.352 3.465 20 30 CGEDHN CC[C@H]1CO[C@H](C)CN1CCCCC(C)(C)C#N ZINC000234087338 376610068 /nfs/dbraw/zinc/61/00/68/376610068.db2.gz MTPQIBIJZWNBHG-KGLIPLIRSA-N 0 3 252.402 3.206 20 30 CGEDHN C[C@@H]1CCCN(CCNc2cccc(Cl)c2C#N)C1 ZINC000338991663 376616319 /nfs/dbraw/zinc/61/63/19/376616319.db2.gz AXGHYFOFFSATPO-GFCCVEGCSA-N 0 3 277.799 3.355 20 30 CGEDHN COc1cc(CN2CC[C@@H](C)[C@@H](C)C2)ccc1C#N ZINC000234994807 376627326 /nfs/dbraw/zinc/62/73/26/376627326.db2.gz IEVXEAVPAIHJHO-OLZOCXBDSA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(F)c(C#N)c1 ZINC000235546389 376643602 /nfs/dbraw/zinc/64/36/02/376643602.db2.gz RCXDJZNIASELMM-XJKSGUPXSA-N 0 3 290.382 3.213 20 30 CGEDHN C=C(C)CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339428094 376757077 /nfs/dbraw/zinc/75/70/77/376757077.db2.gz JKAODDZPMBFVMJ-LBPRGKRZSA-N 0 3 259.328 3.238 20 30 CGEDHN N#CC(C(=O)c1ccc(SC2CC2)cc1)c1ccncn1 ZINC000545446921 376822244 /nfs/dbraw/zinc/82/22/44/376822244.db2.gz ZZJZEFDWFOKPQJ-AWEZNQCLSA-N 0 3 295.367 3.221 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000554075166 376848812 /nfs/dbraw/zinc/84/88/12/376848812.db2.gz SIJNEGWEQYUGOH-KLZNWCGWSA-N 0 3 292.467 3.214 20 30 CGEDHN Cc1cc(CN2CCCO[C@@H](C(C)C)C2)ccc1C#N ZINC000339835208 376868355 /nfs/dbraw/zinc/86/83/55/376868355.db2.gz UHBHVRJHOBXTLC-QGZVFWFLSA-N 0 3 272.392 3.114 20 30 CGEDHN N#Cc1cccc(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246202079 376987055 /nfs/dbraw/zinc/98/70/55/376987055.db2.gz XCSYSJSTDRIBPL-HZPDHXFCSA-N 0 3 272.417 3.418 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@H](CC)c1ccccc1OC ZINC000561955142 377253979 /nfs/dbraw/zinc/25/39/79/377253979.db2.gz JKPBDGZAPPNVEG-GDBMZVCRSA-N 0 3 277.408 3.405 20 30 CGEDHN C=C(C)[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc(F)c(F)c1 ZINC000248563388 377349613 /nfs/dbraw/zinc/34/96/13/377349613.db2.gz NVTHUKAGYBNCPI-KMUNFCNLSA-N 0 3 267.319 3.349 20 30 CGEDHN CCC[C@H](C)[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000563263429 377428813 /nfs/dbraw/zinc/42/88/13/377428813.db2.gz GASWKCYGPOPZJJ-MQIPJXDCSA-N 0 3 278.371 3.145 20 30 CGEDHN CC(C)[C@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000568545273 377519305 /nfs/dbraw/zinc/51/93/05/377519305.db2.gz GDWUCHAJGBXOTI-FZMZJTMJSA-N 0 3 278.783 3.355 20 30 CGEDHN C=CCCN(C)Cc1cc2c(c(Br)c1)OCO2 ZINC000342764200 377776699 /nfs/dbraw/zinc/77/66/99/377776699.db2.gz JIZVQIQPDLFECF-UHFFFAOYSA-N 0 3 298.180 3.186 20 30 CGEDHN CC(C)(C#N)CCN(CCCO)[C@@H]1CCc2ccccc21 ZINC000266021617 378013864 /nfs/dbraw/zinc/01/38/64/378013864.db2.gz PVTNHUZPEWULEB-QGZVFWFLSA-N 0 3 286.419 3.298 20 30 CGEDHN CC(C)CN(CCCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000266007135 378013974 /nfs/dbraw/zinc/01/39/74/378013974.db2.gz QKQGLIMDXDASBW-MRXNPFEDSA-N 0 3 278.371 3.121 20 30 CGEDHN C=CCCN(C)Cc1cnc2ccc(Br)cn12 ZINC000343440835 377979717 /nfs/dbraw/zinc/97/97/17/377979717.db2.gz JZTIDCCGEJSEEB-UHFFFAOYSA-N 0 3 294.196 3.105 20 30 CGEDHN Cc1ccc([C@H](CNc2nccc(C)c2C#N)N(C)C)cc1 ZINC000343448349 377981790 /nfs/dbraw/zinc/98/17/90/377981790.db2.gz ZUFGHTUHPMTVJS-KRWDZBQOSA-N 0 3 294.402 3.285 20 30 CGEDHN Cc1ccc([C@H](C)NCCc2cccc(C#N)c2)o1 ZINC000343629281 378047378 /nfs/dbraw/zinc/04/73/78/378047378.db2.gz YCPRBRQDOZFYQA-ZDUSSCGKSA-N 0 3 254.333 3.353 20 30 CGEDHN C=C(CN[C@H](CC)c1cnn(C)c1)c1ccccc1 ZINC000268794794 378114459 /nfs/dbraw/zinc/11/44/59/378114459.db2.gz DCJFJUFUUREDQP-MRXNPFEDSA-N 0 3 255.365 3.174 20 30 CGEDHN C=CCCCCN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000580036294 378218203 /nfs/dbraw/zinc/21/82/03/378218203.db2.gz ZFPKHDGUWYEHEM-UHFFFAOYSA-N 0 3 294.464 3.351 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)nc1 ZINC000580325244 378241279 /nfs/dbraw/zinc/24/12/79/378241279.db2.gz MMLUXMDIESBASM-MRXNPFEDSA-N 0 3 277.371 3.018 20 30 CGEDHN CC(C)CSCCNCc1ccc(C#N)cc1F ZINC000270066381 378302565 /nfs/dbraw/zinc/30/25/65/378302565.db2.gz HHUKZUBEAFVYQX-UHFFFAOYSA-N 0 3 266.385 3.176 20 30 CGEDHN CCC[C@H](C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582340772 378305116 /nfs/dbraw/zinc/30/51/16/378305116.db2.gz WTKBESJZNUAIKE-YOEHRIQHSA-N 0 3 299.418 3.174 20 30 CGEDHN CC(C)(C)C1=CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000270369232 378341397 /nfs/dbraw/zinc/34/13/97/378341397.db2.gz MKQLSONCJYKQSI-KRWDZBQOSA-N 0 3 284.403 3.270 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)CCC(C)(C)C#N)C1(C)C ZINC000345709977 378350727 /nfs/dbraw/zinc/35/07/27/378350727.db2.gz CGQBMEOJWRGURM-OLZOCXBDSA-N 0 3 252.402 3.062 20 30 CGEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000270675004 378386424 /nfs/dbraw/zinc/38/64/24/378386424.db2.gz RIAKZLJRXNCTJT-HOCLYGCPSA-N 0 3 290.382 3.381 20 30 CGEDHN CS[C@@H](C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271924262 378519534 /nfs/dbraw/zinc/51/95/34/378519534.db2.gz FXUOUHADPCAMDQ-UWVGGRQHSA-N 0 3 252.358 3.099 20 30 CGEDHN CS[C@H](C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271924261 378519782 /nfs/dbraw/zinc/51/97/82/378519782.db2.gz FXUOUHADPCAMDQ-NXEZZACHSA-N 0 3 252.358 3.099 20 30 CGEDHN CS[C@H](C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271924264 378519839 /nfs/dbraw/zinc/51/98/39/378519839.db2.gz FXUOUHADPCAMDQ-ZJUUUORDSA-N 0 3 252.358 3.099 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccccc1F ZINC000272333787 378614000 /nfs/dbraw/zinc/61/40/00/378614000.db2.gz XBPKJTZCZVBRML-KRWDZBQOSA-N 0 3 289.350 3.183 20 30 CGEDHN C=CCCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000274175213 378787081 /nfs/dbraw/zinc/78/70/81/378787081.db2.gz NTVNUZFOUYETAS-CYBMUJFWSA-N 0 3 250.411 3.003 20 30 CGEDHN C=CCCCCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000274418255 378829885 /nfs/dbraw/zinc/82/98/85/378829885.db2.gz GIGJMAJFVURXTF-OAHLLOKOSA-N 0 3 295.448 3.103 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1cc(C#N)cs1 ZINC000348548281 378988644 /nfs/dbraw/zinc/98/86/44/378988644.db2.gz QKSUHQZNSNEUBC-JSGCOSHPSA-N 0 3 278.421 3.135 20 30 CGEDHN C=CC[C@H](CC)NCc1nc2ccccc2nc1C ZINC000639131893 379057499 /nfs/dbraw/zinc/05/74/99/379057499.db2.gz AYIRQKVXOOLZIK-ZDUSSCGKSA-N 0 3 255.365 3.383 20 30 CGEDHN C#Cc1ccc(CN(C)CCc2ncc(C)s2)cc1 ZINC000278912830 194208830 /nfs/dbraw/zinc/20/88/30/194208830.db2.gz JSCFTASIWGCZTO-UHFFFAOYSA-N 0 3 270.401 3.107 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccccc2OCC(F)(F)F)C1 ZINC000349821096 379401179 /nfs/dbraw/zinc/40/11/79/379401179.db2.gz ISRPBPDUBPWIJY-AAEUAGOBSA-N 0 3 298.308 3.410 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000349833013 379410961 /nfs/dbraw/zinc/41/09/61/379410961.db2.gz XUPFKBUTJQQUHG-QWHCGFSZSA-N 0 3 298.308 3.410 20 30 CGEDHN N#CCCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374573518 379463133 /nfs/dbraw/zinc/46/31/33/379463133.db2.gz ZUTLXZIAHBECBI-LLVKDONJSA-N 0 3 260.303 3.345 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@H](C)NCc1cccc(C#N)c1 ZINC000279652891 379481815 /nfs/dbraw/zinc/48/18/15/379481815.db2.gz CCNZQWGNEHWYKM-KBXCAEBGSA-N 0 3 280.371 3.424 20 30 CGEDHN CC(C)(C#N)CCCN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375431811 379496731 /nfs/dbraw/zinc/49/67/31/379496731.db2.gz SOIMRVCSFHYNPD-CYBMUJFWSA-N 0 3 288.395 3.066 20 30 CGEDHN C=CCOc1ccc(CN(CC=C)C2CC2)cc1OC ZINC000350268348 379532791 /nfs/dbraw/zinc/53/27/91/379532791.db2.gz PSSXGMFGGZUKGY-UHFFFAOYSA-N 0 3 273.376 3.410 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](Cc3ccncc3)C2)ccc1F ZINC000376371725 379544734 /nfs/dbraw/zinc/54/47/34/379544734.db2.gz VVTMJDHOMFMLOY-INIZCTEOSA-N 0 3 295.361 3.157 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCSC(C)(C)CC1 ZINC000279800815 379519092 /nfs/dbraw/zinc/51/90/92/379519092.db2.gz WRTSRHZZVKRMFH-UHFFFAOYSA-N 0 3 290.432 3.284 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000280569772 379736409 /nfs/dbraw/zinc/73/64/09/379736409.db2.gz RVHZDDYYHIGWNP-MRXNPFEDSA-N 0 3 276.355 3.088 20 30 CGEDHN C=C(C)CCN1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000351719451 379741235 /nfs/dbraw/zinc/74/12/35/379741235.db2.gz MDSFLGNNRJVRCJ-MRXNPFEDSA-N 0 3 273.376 3.115 20 30 CGEDHN CCN(CC)[C@H](CNc1ccc(C#N)nc1)c1ccco1 ZINC000267387524 190326359 /nfs/dbraw/zinc/32/63/59/190326359.db2.gz MTIDRSWQHPRKJR-OAHLLOKOSA-N 0 3 284.363 3.041 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccco3)C2)s1 ZINC000378347278 379809185 /nfs/dbraw/zinc/80/91/85/379809185.db2.gz VAYZYDUPDGGIPD-NSHDSACASA-N 0 3 258.346 3.202 20 30 CGEDHN CC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000281542488 379839279 /nfs/dbraw/zinc/83/92/79/379839279.db2.gz WZUMXOLCNJUTCE-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN N#Cc1ccccc1CN1CC[C@@H](Cc2ccncc2)C1 ZINC000378633433 379849195 /nfs/dbraw/zinc/84/91/95/379849195.db2.gz NCHVNHMFWVKZHO-INIZCTEOSA-N 0 3 277.371 3.018 20 30 CGEDHN N#Cc1ccc(OCCN2CCC=C(c3ccco3)C2)cc1 ZINC000352549721 379854796 /nfs/dbraw/zinc/85/47/96/379854796.db2.gz GEHVFFZFWSACQH-UHFFFAOYSA-N 0 3 294.354 3.319 20 30 CGEDHN COc1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000399434024 379941634 /nfs/dbraw/zinc/94/16/34/379941634.db2.gz ZWDVXNMCPKCBLJ-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN CCOC1CC2(C1)CCN(Cc1ccc(C#N)c(C)c1)C2 ZINC000353010621 380073024 /nfs/dbraw/zinc/07/30/24/380073024.db2.gz VVERFNBIPNTIIH-UHFFFAOYSA-N 0 3 284.403 3.258 20 30 CGEDHN N#CC1(CCN2CCC[C@H](c3ncc[nH]3)C2)CCCCC1 ZINC000411390966 380141841 /nfs/dbraw/zinc/14/18/41/380141841.db2.gz PEMRMTUPBBXSQK-HNNXBMFYSA-N 0 3 286.423 3.453 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@H](C)CCC#N)cc1OC ZINC000411445133 380146275 /nfs/dbraw/zinc/14/62/75/380146275.db2.gz GIYGPKXJKWFAFF-OLZOCXBDSA-N 0 3 276.380 3.437 20 30 CGEDHN CCOC(=O)C[C@H](C)N(C)CCC1(C#N)CCCCC1 ZINC000411503863 380149817 /nfs/dbraw/zinc/14/98/17/380149817.db2.gz LJMSABIPLTZMQP-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN COC(=O)c1csc([C@H](C)NCC(C)(C)CC#N)c1 ZINC000414160100 380195077 /nfs/dbraw/zinc/19/50/77/380195077.db2.gz CMCRNKQGFNUNKR-JTQLQIEISA-N 0 3 280.393 3.125 20 30 CGEDHN CN(CCOCc1ccccc1)Cc1cccc(C#N)c1 ZINC000268314638 190394806 /nfs/dbraw/zinc/39/48/06/190394806.db2.gz JCQHYDPBCTXOQP-UHFFFAOYSA-N 0 3 280.371 3.207 20 30 CGEDHN CC1(C)SC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000353593326 380215392 /nfs/dbraw/zinc/21/53/92/380215392.db2.gz CWFCKUIHKRGDMV-UONOGXRCSA-N 0 3 258.390 3.029 20 30 CGEDHN C=CCC(C)(C)CNCc1ccc(C(=O)OCC)o1 ZINC000353923225 380237203 /nfs/dbraw/zinc/23/72/03/380237203.db2.gz FWPCKNYFOMRFLA-UHFFFAOYSA-N 0 3 265.353 3.148 20 30 CGEDHN C=CCOCCN[C@@H](c1ccc(OC)cc1F)C(C)C ZINC000643348423 380290963 /nfs/dbraw/zinc/29/09/63/380290963.db2.gz GTZFLDHLKOMVSK-MRXNPFEDSA-N 0 3 281.371 3.324 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)cc1 ZINC000354078943 380311647 /nfs/dbraw/zinc/31/16/47/380311647.db2.gz ALQOZRFXQSBMAY-INIZCTEOSA-N 0 3 291.398 3.269 20 30 CGEDHN C=CCOCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000644543635 380442951 /nfs/dbraw/zinc/44/29/51/380442951.db2.gz ZHOWBBLTPZJNEY-PBHICJAKSA-N 0 3 293.382 3.086 20 30 CGEDHN CC[C@H](CC(F)(F)F)NCc1cc(C#N)cs1 ZINC000354660190 380518003 /nfs/dbraw/zinc/51/80/03/380518003.db2.gz UDROMOCGLGNFJU-SECBINFHSA-N 0 3 262.300 3.440 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](CC(F)(F)F)C2)C1 ZINC000420957114 380868410 /nfs/dbraw/zinc/86/84/10/380868410.db2.gz ZEWPZOULANYTGO-UTUOFQBUSA-N 0 3 260.303 3.343 20 30 CGEDHN C[C@H]1CCCC[C@@H]1OCCNCc1ccc(C#N)c(F)c1 ZINC000421333475 380879048 /nfs/dbraw/zinc/87/90/48/380879048.db2.gz ODLKEGMTMQWBNT-GUYCJALGSA-N 0 3 290.382 3.382 20 30 CGEDHN Cc1cc(CNCc2ccc(C#N)c(C)c2)cc(C)n1 ZINC000421384640 380928977 /nfs/dbraw/zinc/92/89/77/380928977.db2.gz PJDBFYWTFYXLCK-UHFFFAOYSA-N 0 3 265.360 3.168 20 30 CGEDHN C[C@@H](C1CCC1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000357047411 381011120 /nfs/dbraw/zinc/01/11/20/381011120.db2.gz VUMQNSHPQOPERR-LBPRGKRZSA-N 0 3 296.374 3.229 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358459988 381310046 /nfs/dbraw/zinc/31/00/46/381310046.db2.gz VYXCXSYNJPOKTB-NSHDSACASA-N 0 3 264.369 3.267 20 30 CGEDHN C=C(CC)CN(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000358496834 381311492 /nfs/dbraw/zinc/31/14/92/381311492.db2.gz JVMUJCVGDWKLLZ-UHFFFAOYSA-N 0 3 297.345 3.296 20 30 CGEDHN C=C(CC)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000358511294 381314438 /nfs/dbraw/zinc/31/44/38/381314438.db2.gz QQIBIXAGWXUWEY-UHFFFAOYSA-N 0 3 270.376 3.368 20 30 CGEDHN C[C@H](C[C@@H]1CCCO1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358558734 381315314 /nfs/dbraw/zinc/31/53/14/381315314.db2.gz DBANUXVAHCGKQL-DYEKYZERSA-N 0 3 276.355 3.306 20 30 CGEDHN CC[C@@H](C)CN(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000361337509 381704614 /nfs/dbraw/zinc/70/46/14/381704614.db2.gz SHIYLNUWKIRPKW-OAHLLOKOSA-N 0 3 293.455 3.039 20 30 CGEDHN Cc1nn(C)cc1[C@H]1CCCN1CCCC(C)(C)C#N ZINC000363926306 262036511 /nfs/dbraw/zinc/03/65/11/262036511.db2.gz VNXXJRCPPWMZRP-OAHLLOKOSA-N 0 3 274.412 3.195 20 30 CGEDHN CC(C)(CCC#N)CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000367966199 382361855 /nfs/dbraw/zinc/36/18/55/382361855.db2.gz OJFNZGGSQWPWKU-UONOGXRCSA-N 0 3 264.413 3.206 20 30 CGEDHN COC[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1F ZINC000177858766 533044329 /nfs/dbraw/zinc/04/43/29/533044329.db2.gz GOIQMCKDJBBTCN-KRWDZBQOSA-N 0 3 298.361 3.045 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCCOC2)ccc1F ZINC000335379122 208320581 /nfs/dbraw/zinc/32/05/81/208320581.db2.gz JNLKLNGNNGDTEN-WMLDXEAASA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000347065007 533108518 /nfs/dbraw/zinc/10/85/18/533108518.db2.gz ISYQKFAGCAJVMG-JTQLQIEISA-N 0 3 296.292 3.356 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000354679714 533116094 /nfs/dbraw/zinc/11/60/94/533116094.db2.gz RVBFTPVHXKCAPN-GUYCJALGSA-N 0 3 296.345 3.385 20 30 CGEDHN C=CCOCCNCc1ccc(C(C)(C)C)s1 ZINC000301760793 542413648 /nfs/dbraw/zinc/41/36/48/542413648.db2.gz CDSJYWAHXMAVAQ-UHFFFAOYSA-N 0 3 253.411 3.338 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cnc2ccsc2c1 ZINC000310732913 542428579 /nfs/dbraw/zinc/42/85/79/542428579.db2.gz XLHVRXVZZSZTOJ-NSHDSACASA-N 0 3 262.378 3.150 20 30 CGEDHN CC#CCN1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000741781282 572526475 /nfs/dbraw/zinc/52/64/75/572526475.db2.gz RPRDVUHFDOYPNX-CQSZACIVSA-N 0 3 263.768 3.207 20 30 CGEDHN C[C@@H](NCC1CC(F)(F)C1)c1ccc(C#N)cc1F ZINC000425952594 533365598 /nfs/dbraw/zinc/36/55/98/533365598.db2.gz PSTGSXRYGFLSJZ-SECBINFHSA-N 0 3 268.282 3.393 20 30 CGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C)c1ccc(C#N)cc1F ZINC000358555539 533431198 /nfs/dbraw/zinc/43/11/98/533431198.db2.gz LWDMUXSUQURLIG-DGCLKSJQSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H](N[C@@H]1CS[C@H](C)C1)c1ccc(C#N)cc1F ZINC000414236859 533529297 /nfs/dbraw/zinc/52/92/97/533529297.db2.gz VVTMEWRUCIZUFQ-FOGDFJRCSA-N 0 3 264.369 3.242 20 30 CGEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(Cl)c1 ZINC000189577890 129994398 /nfs/dbraw/zinc/99/43/98/129994398.db2.gz IDHXYUPZHBTTDI-NSHDSACASA-N 0 3 273.767 3.401 20 30 CGEDHN C=CCOCCNCc1c(OC)ccc2ccccc21 ZINC000380395380 542595025 /nfs/dbraw/zinc/59/50/25/542595025.db2.gz BTYBJRJUMBSYFL-UHFFFAOYSA-N 0 3 271.360 3.141 20 30 CGEDHN Cc1ccc(SCCNCc2cc(C#N)n(C)c2)cc1 ZINC000190698533 130135600 /nfs/dbraw/zinc/13/56/00/130135600.db2.gz PZOCIFYZHFYRBM-UHFFFAOYSA-N 0 3 285.416 3.087 20 30 CGEDHN C=CCOc1ccc(CNCCC2(O)CCC2)cc1Cl ZINC000283797596 392307586 /nfs/dbraw/zinc/30/75/86/392307586.db2.gz ABDXRMBWVDLTGT-UHFFFAOYSA-N 0 3 295.810 3.300 20 30 CGEDHN C=CCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285433555 392322765 /nfs/dbraw/zinc/32/27/65/392322765.db2.gz HMRRWGWQAYUKLH-UHFFFAOYSA-N 0 3 274.339 3.117 20 30 CGEDHN C=CCC[C@@H](NCCNc1ccccn1)c1ccco1 ZINC000286023380 392364211 /nfs/dbraw/zinc/36/42/11/392364211.db2.gz JWELMCQXCSJWJI-CQSZACIVSA-N 0 3 271.364 3.384 20 30 CGEDHN C=CC[C@@H](C)NCc1c(C)nn(-c2ccccn2)c1Cl ZINC000286621858 392384207 /nfs/dbraw/zinc/38/42/07/392384207.db2.gz SCZAXLNNEUKBPM-LLVKDONJSA-N 0 3 290.798 3.283 20 30 CGEDHN CCS[C@H]1CCC[C@@H]1NCC#Cc1ccccc1 ZINC000286183014 392378878 /nfs/dbraw/zinc/37/88/78/392378878.db2.gz PHJRLAFROHVAIK-HOTGVXAUSA-N 0 3 259.418 3.302 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1OCCc2ccccc21 ZINC000263763328 131325146 /nfs/dbraw/zinc/32/51/46/131325146.db2.gz VHWWJGUCIPFOEW-IBGZPJMESA-N 0 3 292.382 3.304 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000289721267 392429645 /nfs/dbraw/zinc/42/96/45/392429645.db2.gz JQTHCOVKRDXAHN-RDJZCZTQSA-N 0 3 288.435 3.265 20 30 CGEDHN C=CCC[C@H](NCc1csc(COC)n1)C1CC1 ZINC000289719018 392430286 /nfs/dbraw/zinc/43/02/86/392430286.db2.gz JLUNVLCOHJXTCM-ZDUSSCGKSA-N 0 3 266.410 3.124 20 30 CGEDHN CC#CCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374503446 392679021 /nfs/dbraw/zinc/67/90/21/392679021.db2.gz IPOGKBKINRHJLW-GFCCVEGCSA-N 0 3 259.315 3.454 20 30 CGEDHN C=CCSCCNCc1cc2cc(OC)ccc2o1 ZINC000179302549 392696140 /nfs/dbraw/zinc/69/61/40/392696140.db2.gz OZYKPQZCASEXRO-UHFFFAOYSA-N 0 3 277.389 3.450 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]2C2CCOCC2)ccc1F ZINC000336387082 392852356 /nfs/dbraw/zinc/85/23/56/392852356.db2.gz RKAVRAZCASNZIA-KRWDZBQOSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@H]1Cc2ccccc2CN1CCOc1ccc(C#N)cc1 ZINC000525640491 392944549 /nfs/dbraw/zinc/94/45/49/392944549.db2.gz KVQKOAWHNGTDTA-HNNXBMFYSA-N 0 3 292.382 3.384 20 30 CGEDHN C[C@@H]1C[C@@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000525410474 392937891 /nfs/dbraw/zinc/93/78/91/392937891.db2.gz HMAGVPIKFDEGHS-CHWSQXEVSA-N 0 3 253.349 3.041 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000338952947 392938038 /nfs/dbraw/zinc/93/80/38/392938038.db2.gz RMHIYOYLFYWYCY-UHFFFAOYSA-N 0 3 299.418 3.030 20 30 CGEDHN N#Cc1cccc(C2(NCCOCC3CCCC3)CC2)c1 ZINC000459383222 392941798 /nfs/dbraw/zinc/94/17/98/392941798.db2.gz GXGNALMOFGTBRZ-UHFFFAOYSA-N 0 3 284.403 3.344 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC[C@H](Oc3ccccc3)C2)C1 ZINC000411986454 392992909 /nfs/dbraw/zinc/99/29/09/392992909.db2.gz PJQXOBFQGCZPJT-UXLLHSPISA-N 0 3 270.376 3.222 20 30 CGEDHN CCC(CC)CN(CCC#N)CCC(C)(C)OC ZINC000346439324 393087638 /nfs/dbraw/zinc/08/76/38/393087638.db2.gz VHOPQUOMALQACA-UHFFFAOYSA-N 0 3 254.418 3.453 20 30 CGEDHN CCc1cccnc1[C@H](C)NCCc1cccc(C#N)c1 ZINC000467440377 393100518 /nfs/dbraw/zinc/10/05/18/393100518.db2.gz SBQMXSSZEHDJBO-AWEZNQCLSA-N 0 3 279.387 3.409 20 30 CGEDHN C=CCOCCCN1Cc2ccccc2OC(C)(C)C1 ZINC000344106774 393037620 /nfs/dbraw/zinc/03/76/20/393037620.db2.gz IHDBEMLJQLAGLE-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000345665961 393061574 /nfs/dbraw/zinc/06/15/74/393061574.db2.gz PKTCDBVUZFKDHF-BDAKNGLRSA-N 0 3 270.254 3.042 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000346117180 393076545 /nfs/dbraw/zinc/07/65/45/393076545.db2.gz XMQCGWABSXIHPT-MNOVXSKESA-N 0 3 298.308 3.254 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@](C)(OC)C2)c1 ZINC000355215020 393262241 /nfs/dbraw/zinc/26/22/41/393262241.db2.gz HVRAAFQMBNUNCV-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)[C@H](CO)N1CC=C(c2ccc(CC)cc2)CC1 ZINC000649407362 393414288 /nfs/dbraw/zinc/41/42/88/393414288.db2.gz JJNMOKALROMFHA-SFHVURJKSA-N 0 3 271.404 3.275 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC=C(c2cccc(C)c2)CC1 ZINC000649406915 393414407 /nfs/dbraw/zinc/41/44/07/393414407.db2.gz HNHDOPAXYRMFGW-QGZVFWFLSA-N 0 3 257.377 3.021 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429565174 393481354 /nfs/dbraw/zinc/48/13/54/393481354.db2.gz HBHJVNRADIYNOY-SWLSCSKDSA-N 0 3 258.365 3.187 20 30 CGEDHN Cc1cc(CN[C@@H](CCCO)c2ccccc2)ccc1C#N ZINC000488156086 393464669 /nfs/dbraw/zinc/46/46/69/393464669.db2.gz ARSWFOQMLJZYLG-IBGZPJMESA-N 0 3 294.398 3.470 20 30 CGEDHN Cc1cc(CN(CCCO)Cc2ccccc2)ccc1C#N ZINC000488245673 393472915 /nfs/dbraw/zinc/47/29/15/393472915.db2.gz RQLJCESTLGVNKR-UHFFFAOYSA-N 0 3 294.398 3.251 20 30 CGEDHN C=CCCC[C@@H](C)N1CCCN(c2nc(C)ns2)CC1 ZINC000359507548 393550851 /nfs/dbraw/zinc/55/08/51/393550851.db2.gz LKWYJUOXPNNYKQ-CYBMUJFWSA-N 0 3 294.468 3.103 20 30 CGEDHN CN(Cc1ccc(C#N)c(F)c1)C1CC(OC(C)(C)C)C1 ZINC000421009625 393573002 /nfs/dbraw/zinc/57/30/02/393573002.db2.gz NFFBDIAMOJDZHG-UHFFFAOYSA-N 0 3 290.382 3.475 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(C2CC2)n1 ZINC000435732886 393715342 /nfs/dbraw/zinc/71/53/42/393715342.db2.gz RAIJKRNXRGQKMT-GXTWGEPZSA-N 0 3 278.421 3.091 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000443650372 393769569 /nfs/dbraw/zinc/76/95/69/393769569.db2.gz IVYFFQGBFYNQCW-QLFBSQMISA-N 0 3 299.418 3.253 20 30 CGEDHN COc1ccc(OCCNCc2ccc(C#N)c(C)c2)cc1 ZINC000443957552 393778405 /nfs/dbraw/zinc/77/84/05/393778405.db2.gz BGUQQIMJNZSGCJ-UHFFFAOYSA-N 0 3 296.370 3.044 20 30 CGEDHN Cc1cc(CNC[C@H](c2cccs2)N(C)C)ccc1C#N ZINC000443964360 393778632 /nfs/dbraw/zinc/77/86/32/393778632.db2.gz VKXGMBHNONYEPI-MRXNPFEDSA-N 0 3 299.443 3.321 20 30 CGEDHN Cc1cc(CNCCn2cnc3ccccc32)ccc1C#N ZINC000443970911 393779471 /nfs/dbraw/zinc/77/94/71/393779471.db2.gz JRQFWPSGHSXFBP-UHFFFAOYSA-N 0 3 290.370 3.006 20 30 CGEDHN Cc1cccc(OCCNCc2ccc(C#N)c(C)c2)c1 ZINC000443970776 393779646 /nfs/dbraw/zinc/77/96/46/393779646.db2.gz UKBHYAFECXRQGW-UHFFFAOYSA-N 0 3 280.371 3.344 20 30 CGEDHN Cc1ccc(F)c(CCNCc2cc(C#N)cs2)c1 ZINC000449550889 393896943 /nfs/dbraw/zinc/89/69/43/393896943.db2.gz CSVWZNXBQXIWPZ-UHFFFAOYSA-N 0 3 274.364 3.400 20 30 CGEDHN CO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)cs2)C12CCC2 ZINC000449627822 393926422 /nfs/dbraw/zinc/92/64/22/393926422.db2.gz AUTPICMDGZSDLG-ZIAGYGMSSA-N 0 3 276.405 3.009 20 30 CGEDHN CO[C@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C12CCC2 ZINC000449629690 393927392 /nfs/dbraw/zinc/92/73/92/393927392.db2.gz GCEKEBLFTTWOTB-KBPBESRZSA-N 0 3 276.405 3.009 20 30 CGEDHN C=C(C)[C@@H](NCCC[C@H](C)O)c1ccc(F)c(F)c1 ZINC000450784483 394035755 /nfs/dbraw/zinc/03/57/55/394035755.db2.gz ZSTDYJRKZFDJCZ-XHDPSFHLSA-N 0 3 269.335 3.333 20 30 CGEDHN CO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C12CCC2 ZINC000453197364 394202116 /nfs/dbraw/zinc/20/21/16/394202116.db2.gz SLQBFEDXZWFSAG-HFBAOOFYSA-N 0 3 288.366 3.306 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)OC ZINC000453287351 394222653 /nfs/dbraw/zinc/22/26/53/394222653.db2.gz KWQUJUFPAHAMLY-ZLIFDBKOSA-N 0 3 272.392 3.196 20 30 CGEDHN N#Cc1csc(CNCC2(C3CCC3)CCC2)n1 ZINC000453589090 394251665 /nfs/dbraw/zinc/25/16/65/394251665.db2.gz UXDJMRMGFXRGMD-UHFFFAOYSA-N 0 3 261.394 3.075 20 30 CGEDHN C=CCN(CCCOC(C)C)Cc1ccc(OC)cc1 ZINC000171499680 335067323 /nfs/dbraw/zinc/06/73/23/335067323.db2.gz LWCCKNHKFGHCCX-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccnn2CC2CC2)C1 ZINC000668494148 543020007 /nfs/dbraw/zinc/02/00/07/543020007.db2.gz WOORLXZEUJMKAZ-AWEZNQCLSA-N 0 3 259.397 3.081 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CCC2)CC1 ZINC000671728838 543181545 /nfs/dbraw/zinc/18/15/45/543181545.db2.gz LMAJQCUZUATJPE-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000338566507 397683911 /nfs/dbraw/zinc/68/39/11/397683911.db2.gz JDKDGAGLGDAWJN-UHFFFAOYSA-N 0 3 260.381 3.409 20 30 CGEDHN C=CCC[C@@H](NCc1cn2cc(C)ccc2n1)C1CC1 ZINC000676639792 543408848 /nfs/dbraw/zinc/40/88/48/543408848.db2.gz WXIULFNVKYADND-MRXNPFEDSA-N 0 3 269.392 3.477 20 30 CGEDHN CCC#C[C@H](C)N(C)CCCc1ccc(OC)cc1 ZINC000677048179 543427869 /nfs/dbraw/zinc/42/78/69/543427869.db2.gz ORALRCPDNMNOJB-HNNXBMFYSA-N 0 3 259.393 3.362 20 30 CGEDHN COCC#CCN1CCCCC[C@@H]1c1ccccc1 ZINC000677818649 543468192 /nfs/dbraw/zinc/46/81/92/543468192.db2.gz SJUOXDQDRJOBEJ-QGZVFWFLSA-N 0 3 257.377 3.254 20 30 CGEDHN C=C(CC)CN1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000678624409 543547450 /nfs/dbraw/zinc/54/74/50/543547450.db2.gz AKFAKYKNVDIRCO-SFHVURJKSA-N 0 3 292.467 3.456 20 30 CGEDHN COCC#CCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000678767743 543554920 /nfs/dbraw/zinc/55/49/20/543554920.db2.gz QCSRFZUJBPNSEB-MRXNPFEDSA-N 0 3 277.795 3.421 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C)CC2)cc1C#N ZINC000087833411 165188840 /nfs/dbraw/zinc/18/88/40/165188840.db2.gz IBQNINPJDIOMFK-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN COc1ccc(CN(C)Cc2ccccc2)cc1C#N ZINC000087833092 165190617 /nfs/dbraw/zinc/19/06/17/165190617.db2.gz FSJAINBKOZYIOM-UHFFFAOYSA-N 0 3 266.344 3.199 20 30 CGEDHN CC[C@@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000087833133 165191264 /nfs/dbraw/zinc/19/12/64/165191264.db2.gz SZPGZUDSOGSHTI-OAHLLOKOSA-N 0 3 258.365 3.331 20 30 CGEDHN CCC[C@H](NCCOc1ccc(C#N)cc1)c1ccccn1 ZINC000090106924 165228010 /nfs/dbraw/zinc/22/80/10/165228010.db2.gz GLJGVLBCMXWFMS-KRWDZBQOSA-N 0 3 295.386 3.463 20 30 CGEDHN N#Cc1csc(CN2CCC[C@H]2CN2CCCCC2)c1 ZINC000092219158 165287895 /nfs/dbraw/zinc/28/78/95/165287895.db2.gz JGJQQSMYVGXFFL-HNNXBMFYSA-N 0 3 289.448 3.070 20 30 CGEDHN N#Cc1cc(CN2C[C@@H]3CCCC[C@@H]3C2)ccc1F ZINC000121694619 287202077 /nfs/dbraw/zinc/20/20/77/287202077.db2.gz NHZOJNOZHWMKNH-OKILXGFUSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccncc1)c1cccc(C#N)c1 ZINC000037217929 173035951 /nfs/dbraw/zinc/03/59/51/173035951.db2.gz KABFRHGKGFEXJR-QWHCGFSZSA-N 0 3 251.333 3.365 20 30 CGEDHN CN(CCCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000076416093 177022035 /nfs/dbraw/zinc/02/20/35/177022035.db2.gz YOLVCNGSRRXERG-UHFFFAOYSA-N 0 3 288.391 3.112 20 30 CGEDHN C=CCOCCN[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000679575752 543648080 /nfs/dbraw/zinc/64/80/80/543648080.db2.gz ALDSKHDSQQAUES-QGZVFWFLSA-N 0 3 287.403 3.181 20 30 CGEDHN CC#CCCN1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000680884882 543742539 /nfs/dbraw/zinc/74/25/39/543742539.db2.gz BVJUQRUNZXIDFB-INIZCTEOSA-N 0 3 282.431 3.315 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000680418555 543710229 /nfs/dbraw/zinc/71/02/29/543710229.db2.gz ZOUORIRIYHKWSX-SWLSCSKDSA-N 0 3 289.375 3.337 20 30 CGEDHN CC(C#N)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000334834476 225328662 /nfs/dbraw/zinc/32/86/62/225328662.db2.gz NXDCDMNYTRSETQ-QMMMGPOBSA-N 0 3 283.158 3.038 20 30 CGEDHN CC(C#N)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000347099663 226048816 /nfs/dbraw/zinc/04/88/16/226048816.db2.gz DXLXWLLOQAGLON-HLIUYOAVSA-N 0 3 270.376 3.236 20 30 CGEDHN C=CCOCCCN[C@@H](CC(C)C)c1ccccn1 ZINC000684204873 543972948 /nfs/dbraw/zinc/97/29/48/543972948.db2.gz IEONOKXEZGKADB-INIZCTEOSA-N 0 3 262.397 3.351 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC000347829572 226381676 /nfs/dbraw/zinc/38/16/76/226381676.db2.gz QHLVMNBTBAORHL-VIFPVBQESA-N 0 3 282.746 3.033 20 30 CGEDHN Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000336396322 226969877 /nfs/dbraw/zinc/96/98/77/226969877.db2.gz IJSUFLSORPZVIJ-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000336569818 227124483 /nfs/dbraw/zinc/12/44/83/227124483.db2.gz ZFGRCVABGBOUKU-NSHDSACASA-N 0 3 274.751 3.115 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc3ccccc3n2)C1 ZINC000336611842 227181500 /nfs/dbraw/zinc/18/15/00/227181500.db2.gz WHRBSPMJMCLSOQ-OCCSQVGLSA-N 0 3 251.333 3.017 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cccc3cccnc32)C1 ZINC000336625985 227218709 /nfs/dbraw/zinc/21/87/09/227218709.db2.gz VWZSZPLXSZSRPY-WFASDCNBSA-N 0 3 251.333 3.017 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2CNC)C1 ZINC000659019755 418956367 /nfs/dbraw/zinc/95/63/67/418956367.db2.gz PULHNCKRHBBHPX-CQSZACIVSA-N 0 3 287.407 3.226 20 30 CGEDHN C=CCCC1(CNC(=O)C2(N)CC3(CCC3)C2)CCCC1 ZINC000659334299 418977500 /nfs/dbraw/zinc/97/75/00/418977500.db2.gz KBMQCHBUVIAKLI-UHFFFAOYSA-N 0 3 290.451 3.291 20 30 CGEDHN C=C[C@H](C)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000655750028 419086519 /nfs/dbraw/zinc/08/65/19/419086519.db2.gz YKVNLMCJGPGUAP-ZDUSSCGKSA-N 0 3 255.365 3.153 20 30 CGEDHN C=C(C)COCCNCc1cn(-c2ccc(C)cc2)nc1C ZINC000655747471 419087304 /nfs/dbraw/zinc/08/73/04/419087304.db2.gz GNNZIFYSWDXPKT-UHFFFAOYSA-N 0 3 299.418 3.171 20 30 CGEDHN C=CCC1(CN[C@H]2CCCn3ccnc32)CCCC1 ZINC000655774574 419094739 /nfs/dbraw/zinc/09/47/39/419094739.db2.gz XMJWQOQXVSNZJX-AWEZNQCLSA-N 0 3 259.397 3.444 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H]1CCCn2ccnc21 ZINC000655777834 419096609 /nfs/dbraw/zinc/09/66/09/419096609.db2.gz ZQUIEUWAIRZZCM-IAGOWNOFSA-N 0 3 281.403 3.495 20 30 CGEDHN C=CCN(Cc1ccc(SC)cc1)[C@@H](C)COC ZINC000661248943 419244781 /nfs/dbraw/zinc/24/47/81/419244781.db2.gz WZEVSECMRCRHAY-ZDUSSCGKSA-N 0 3 265.422 3.431 20 30 CGEDHN C=C(CNCc1c(C2CCC2)cnn1C)c1ccccc1 ZINC000657334136 419252489 /nfs/dbraw/zinc/25/24/89/419252489.db2.gz NHVKGKKTKORGOA-UHFFFAOYSA-N 0 3 281.403 3.491 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NCc2cccs2)C1 ZINC000661378885 419255668 /nfs/dbraw/zinc/25/56/68/419255668.db2.gz NSNXSBREOFJMOV-ZIAGYGMSSA-N 0 3 292.448 3.041 20 30 CGEDHN C[C@@H](CO)[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000661440547 419259990 /nfs/dbraw/zinc/25/99/90/419259990.db2.gz DNNPQQMHULHZAH-WMLDXEAASA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@H]1CCCN(CC#Cc2cccc(Cl)c2)[C@@H]1CCO ZINC000661502022 419267225 /nfs/dbraw/zinc/26/72/25/419267225.db2.gz YXTYEELBUPQNEO-WMLDXEAASA-N 0 3 291.822 3.174 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2cccs2)cc1 ZINC000657436335 419279028 /nfs/dbraw/zinc/27/90/28/419279028.db2.gz SRIYXMHAENHLTP-HNNXBMFYSA-N 0 3 273.401 3.442 20 30 CGEDHN C=CCOCCCNCc1cc2cc(F)ccc2o1 ZINC000657657832 419320845 /nfs/dbraw/zinc/32/08/45/419320845.db2.gz FJXAOLDUXACTDT-UHFFFAOYSA-N 0 3 263.312 3.254 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@@H](C)CC(C)C ZINC000662084724 419334265 /nfs/dbraw/zinc/33/42/65/419334265.db2.gz VSDNHOLVYCURID-HRCADAONSA-N 0 3 278.440 3.062 20 30 CGEDHN Cn1nccc1-c1ccccc1CN1CCC(C)(C#N)CC1 ZINC000336164643 228202284 /nfs/dbraw/zinc/20/22/84/228202284.db2.gz QYHDWVZJRPQIDC-UHFFFAOYSA-N 0 3 294.402 3.213 20 30 CGEDHN Cc1c2ccccc2n(C)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000336233010 228218553 /nfs/dbraw/zinc/21/85/53/228218553.db2.gz YQAVLKBZZHRESA-KGLIPLIRSA-N 0 3 267.376 3.269 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncnn1C(C)(C)C ZINC000658004609 419487729 /nfs/dbraw/zinc/48/77/29/419487729.db2.gz RCWHEMLURSDXJG-ZIAGYGMSSA-N 0 3 276.428 3.258 20 30 CGEDHN C=CCCC1(CNC(=O)[C@@](C)(N)CCC)CCCC1 ZINC000662620527 419466651 /nfs/dbraw/zinc/46/66/51/419466651.db2.gz LYDQBOPGVJYPCQ-HNNXBMFYSA-N 0 3 266.429 3.147 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nn(C)cc1Cl ZINC000658027773 419501744 /nfs/dbraw/zinc/50/17/44/419501744.db2.gz OQCIEAVEXCYREB-AAEUAGOBSA-N 0 3 267.804 3.298 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncccc1OC ZINC000658031439 419508396 /nfs/dbraw/zinc/50/83/96/419508396.db2.gz FQJUMQIXMPCTDA-KGLIPLIRSA-N 0 3 260.381 3.315 20 30 CGEDHN C=CCC[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1ccco1 ZINC000658251993 419705031 /nfs/dbraw/zinc/70/50/31/419705031.db2.gz PRNXFWBOHDNLAO-AEGPPILISA-N 0 3 261.365 3.180 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCN(CCC)C1)c1ccco1 ZINC000658287539 419736874 /nfs/dbraw/zinc/73/68/74/419736874.db2.gz ZZYFBNJOHIKGCM-LSDHHAIUSA-N 0 3 262.397 3.361 20 30 CGEDHN C=CCN[C@H](c1cncc(Br)c1)C1CC1 ZINC000308862634 260294512 /nfs/dbraw/zinc/29/45/12/260294512.db2.gz VSZISYJZSKOOON-LBPRGKRZSA-N 0 3 267.170 3.071 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090450836 260358906 /nfs/dbraw/zinc/35/89/06/260358906.db2.gz HLNQNGUTGWDIGO-ZDUSSCGKSA-N 0 3 278.352 3.147 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccccc1OCC ZINC000090450719 260359059 /nfs/dbraw/zinc/35/90/59/260359059.db2.gz VMDCRZVVEQPDQA-AWEZNQCLSA-N 0 3 263.381 3.329 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(OCC)cc1 ZINC000090451037 260359878 /nfs/dbraw/zinc/35/98/78/260359878.db2.gz FHOWHCHSAPXIMG-CQSZACIVSA-N 0 3 263.381 3.329 20 30 CGEDHN CC(C)C[C@H]1COCCN1CCCC(C)(C)C#N ZINC000174862786 261200066 /nfs/dbraw/zinc/20/00/66/261200066.db2.gz ZUCUVVAPFCAVOD-AWEZNQCLSA-N 0 3 252.402 3.063 20 30 CGEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185768659 262069963 /nfs/dbraw/zinc/06/99/63/262069963.db2.gz SXXKYZBGCGYBQU-DUVNUKRYSA-N 0 3 285.391 3.378 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000192593790 262206115 /nfs/dbraw/zinc/20/61/15/262206115.db2.gz JWWHNDJOQMGUIT-ARFHVFGLSA-N 0 3 287.407 3.088 20 30 CGEDHN CC[C@H](CC#N)NC1CCN(Cc2cccc(F)c2)CC1 ZINC000365043760 262268110 /nfs/dbraw/zinc/26/81/10/262268110.db2.gz LLEUJYYVJFNHES-MRXNPFEDSA-N 0 3 289.398 3.072 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1F ZINC000413958581 262794277 /nfs/dbraw/zinc/79/42/77/262794277.db2.gz RJJQBARIZHSJPC-ARFHVFGLSA-N 0 3 288.366 3.156 20 30 CGEDHN COc1cc([C@@H](C)NCCCC#N)ccc1SC ZINC000273275790 263014665 /nfs/dbraw/zinc/01/46/65/263014665.db2.gz PIXMTFXKWSRNMV-LLVKDONJSA-N 0 3 264.394 3.371 20 30 CGEDHN N#CCCCN[C@@H]1CCSc2ccc(F)cc21 ZINC000273323112 263015310 /nfs/dbraw/zinc/01/53/10/263015310.db2.gz ZUPIHXAQVCRYON-GFCCVEGCSA-N 0 3 250.342 3.256 20 30 CGEDHN COc1ccc2c(c1)[C@@H](NCCCC#N)CCS2 ZINC000276164660 263035025 /nfs/dbraw/zinc/03/50/25/263035025.db2.gz RNOLJVLXDMYQON-ZDUSSCGKSA-N 0 3 262.378 3.125 20 30 CGEDHN C[C@H](CCC#N)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000276332935 263036530 /nfs/dbraw/zinc/03/65/30/263036530.db2.gz RICMVMQWNDNZDB-CYBMUJFWSA-N 0 3 280.375 3.344 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000277108622 263039818 /nfs/dbraw/zinc/03/98/18/263039818.db2.gz WEBKVAHPZZVDTK-JSGCOSHPSA-N 0 3 276.380 3.004 20 30 CGEDHN C[C@H](CCC#N)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000279079459 263052794 /nfs/dbraw/zinc/05/27/94/263052794.db2.gz SKYKTSPHWJMXLD-ONERCXAPSA-N 0 3 280.318 3.077 20 30 CGEDHN N#CC1(CCCN2CCC[C@@H]2c2ccncc2)CCOCC1 ZINC000282055015 263073822 /nfs/dbraw/zinc/07/38/22/263073822.db2.gz RSWNPKVSUSKTBP-QGZVFWFLSA-N 0 3 299.418 3.319 20 30 CGEDHN CCOC(=O)[C@H]1CC[C@@H](NCCCC#N)c2ccccc21 ZINC000282956085 263079936 /nfs/dbraw/zinc/07/99/36/263079936.db2.gz CFNVHUVJOQOAHD-JKSUJKDBSA-N 0 3 286.375 3.062 20 30 CGEDHN N#CCCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000285937394 263096637 /nfs/dbraw/zinc/09/66/37/263096637.db2.gz FNQRPIRXMZBXLF-CQSZACIVSA-N 0 3 260.385 3.315 20 30 CGEDHN CC(C)N1CCCC[C@@H]1CN(CCC#N)Cc1ccco1 ZINC000340281105 263104356 /nfs/dbraw/zinc/10/43/56/263104356.db2.gz AIZKDIJYEMPMON-MRXNPFEDSA-N 0 3 289.423 3.258 20 30 CGEDHN C[C@]1(CN[C@@H]2CCC[C@@H](C#N)C2)OCCc2sccc21 ZINC000289735779 263111634 /nfs/dbraw/zinc/11/16/34/263111634.db2.gz KGUYKPYLROPTGY-XJKCOSOUSA-N 0 3 290.432 3.208 20 30 CGEDHN N#CCCOCCN1CCCCC[C@@H]1c1ccco1 ZINC000293067953 263137771 /nfs/dbraw/zinc/13/77/71/263137771.db2.gz LQCYJDZTZFNEKO-CQSZACIVSA-N 0 3 262.353 3.127 20 30 CGEDHN CN(CCOCCC#N)Cc1ccccc1C(F)(F)F ZINC000293671253 263146416 /nfs/dbraw/zinc/14/64/16/263146416.db2.gz ZMAXJBDDAZIAJE-UHFFFAOYSA-N 0 3 286.297 3.067 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(C(F)(F)F)c2)C1 ZINC000295034684 263171194 /nfs/dbraw/zinc/17/11/94/263171194.db2.gz MABBGHXPQSTQKV-JQWIXIFHSA-N 0 3 283.297 3.272 20 30 CGEDHN CN(CCC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296459644 263191872 /nfs/dbraw/zinc/19/18/72/263191872.db2.gz WZYCIGDVRLYSNL-CQSZACIVSA-N 0 3 280.799 3.245 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@H](C)CCC#N ZINC000298048880 263214703 /nfs/dbraw/zinc/21/47/03/263214703.db2.gz HPFWTHZKVQLVMN-CQSZACIVSA-N 0 3 258.365 3.375 20 30 CGEDHN C=CCOc1ccc(CN(C)CCSC)cc1 ZINC000340663951 263259502 /nfs/dbraw/zinc/25/95/02/263259502.db2.gz YERSKJVNRZPCHQ-UHFFFAOYSA-N 0 3 251.395 3.046 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc2ccccc2n1 ZINC000341882325 263362447 /nfs/dbraw/zinc/36/24/47/263362447.db2.gz GVPSXXBNVQRNRR-KBPBESRZSA-N 0 3 270.376 3.070 20 30 CGEDHN COCC1(C#N)CCN(CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000341983835 263370598 /nfs/dbraw/zinc/37/05/98/263370598.db2.gz FWJLZUZWBZXYHU-HOTGVXAUSA-N 0 3 278.440 3.455 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000342767211 263493307 /nfs/dbraw/zinc/49/33/07/263493307.db2.gz YFOMSUHGEXUARZ-CQSZACIVSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCN(C(=O)OCC)C1)c1ccco1 ZINC000286140328 264576869 /nfs/dbraw/zinc/57/68/69/264576869.db2.gz OKWAEEBHMMECIX-KGLIPLIRSA-N 0 3 292.379 3.107 20 30 CGEDHN C=CCCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294326009 265010975 /nfs/dbraw/zinc/01/09/75/265010975.db2.gz JANQRLITDYNXRB-HNNXBMFYSA-N 0 3 292.448 3.094 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000442851545 265134415 /nfs/dbraw/zinc/13/44/15/265134415.db2.gz FCUNXSSJJDFOQM-WPGHFRTFSA-N 0 3 258.340 3.485 20 30 CGEDHN N#Cc1ccc(OCCNCc2cc(Cl)cs2)cc1 ZINC000193127945 270078844 /nfs/dbraw/zinc/07/88/44/270078844.db2.gz SZOXAGPPZWIRAJ-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN C=CCCCCCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000514614649 266019300 /nfs/dbraw/zinc/01/93/00/266019300.db2.gz OALNZSGDZSKJIA-KRWDZBQOSA-N 0 3 286.419 3.342 20 30 CGEDHN C[C@]1(NCc2cccc(OCCCC#N)c2)CCCOC1 ZINC000357346373 266279765 /nfs/dbraw/zinc/27/97/65/266279765.db2.gz QPFWTQXZFWQWJS-KRWDZBQOSA-N 0 3 288.391 3.028 20 30 CGEDHN N#Cc1csc(CNC[C@@H]2CCN2C2CCCCC2)c1 ZINC000527751151 270134629 /nfs/dbraw/zinc/13/46/29/270134629.db2.gz ILMPWCWJEHTCBO-HNNXBMFYSA-N 0 3 289.448 3.116 20 30 CGEDHN C#CCN(C)[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000369291303 267232523 /nfs/dbraw/zinc/23/25/23/267232523.db2.gz YCDFGTXPPFSTBI-INIZCTEOSA-N 0 3 277.795 3.373 20 30 CGEDHN CC(C)N(CCc1nccs1)CCC(C)(C)C#N ZINC000120010175 267352771 /nfs/dbraw/zinc/35/27/71/267352771.db2.gz CDYQHTKHELCGCQ-UHFFFAOYSA-N 0 3 265.426 3.336 20 30 CGEDHN COC(=O)CCC[C@H]1CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000418145876 267366554 /nfs/dbraw/zinc/36/65/54/267366554.db2.gz ZCGYULFJCJXKCQ-CABCVRRESA-N 0 3 292.423 3.172 20 30 CGEDHN N#Cc1ccc(NC[C@H]2CCN2C2CCCC2)c(F)c1 ZINC000528212974 268249897 /nfs/dbraw/zinc/24/98/97/268249897.db2.gz ZEGJMCUVFUIWGN-CQSZACIVSA-N 0 3 273.355 3.126 20 30 CGEDHN COCc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353412693 274053446 /nfs/dbraw/zinc/05/34/46/274053446.db2.gz MTGCPWLHCITQHU-IBGZPJMESA-N 0 3 292.382 3.482 20 30 CGEDHN C[C@H](N[C@@H]1COc2ccc(F)cc2C1)c1ccc(C#N)cc1 ZINC000290167812 274522821 /nfs/dbraw/zinc/52/28/21/274522821.db2.gz DQEQZELTSKCECT-SJCJKPOMSA-N 0 3 296.345 3.352 20 30 CGEDHN CCC[C@]1(CO)CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000288899709 276053706 /nfs/dbraw/zinc/05/37/06/276053706.db2.gz SMCGGPZADUYIHW-YOEHRIQHSA-N 0 3 272.392 3.104 20 30 CGEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)C(C)C ZINC000129700496 276087040 /nfs/dbraw/zinc/08/70/40/276087040.db2.gz JUWUSYAQYHSFMG-LBPRGKRZSA-N 0 3 291.395 3.073 20 30 CGEDHN C=C(C)[C@@H](N[C@@H]1CCO[C@H]1C)c1ccc(F)c(F)c1 ZINC000186452658 276868027 /nfs/dbraw/zinc/86/80/27/276868027.db2.gz NVTHUKAGYBNCPI-COLVAYQJSA-N 0 3 267.319 3.349 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000411893577 277771116 /nfs/dbraw/zinc/77/11/16/277771116.db2.gz NVLBDJBYEBAQHC-MSOLQXFVSA-N 0 3 296.345 3.099 20 30 CGEDHN COc1cccc2c1CCN(CCC(C)(C)C#N)CC2 ZINC000347137520 278027725 /nfs/dbraw/zinc/02/77/25/278027725.db2.gz WEYYSOCIJACGDT-UHFFFAOYSA-N 0 3 272.392 3.036 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000337532287 279507825 /nfs/dbraw/zinc/50/78/25/279507825.db2.gz DNTCUEULWMZULF-GDLCADMTSA-N 0 3 280.318 3.369 20 30 CGEDHN C[C@H](N[C@@H]1CSC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000354012362 279524461 /nfs/dbraw/zinc/52/44/61/279524461.db2.gz ZEGPQBFAGMYBLT-PKFCDNJMSA-N 0 3 264.369 3.099 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccncn2)CC1 ZINC000298139834 279595881 /nfs/dbraw/zinc/59/58/81/279595881.db2.gz LMSMYWHWLURMDF-CQSZACIVSA-N 0 3 292.386 3.289 20 30 CGEDHN Cc1ccccc1[C@@H]([C@@H](C)NCc1ccc(C#N)o1)N(C)C ZINC000443008759 281361367 /nfs/dbraw/zinc/36/13/67/281361367.db2.gz HDWCJMLLROSHLG-RDTXWAMCSA-N 0 3 297.402 3.241 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2c2ccccc2)nc1 ZINC000550676549 289081814 /nfs/dbraw/zinc/08/18/14/289081814.db2.gz IYLVQJVOJIVEFJ-ZWKOTPCHSA-N 0 3 277.371 3.379 20 30 CGEDHN CC(C)[C@@H](CO)CN[C@H](C)c1ccc(C#N)cc1Cl ZINC000554085184 289255880 /nfs/dbraw/zinc/25/58/80/289255880.db2.gz AEXKRXCFYJJBMW-DGCLKSJQSA-N 0 3 280.799 3.127 20 30 CGEDHN C[C@H](CNC1(c2cccc(C#N)c2)CC1)C(F)(F)F ZINC000556510041 289395289 /nfs/dbraw/zinc/39/52/89/289395289.db2.gz UYMJMJRYCDDABX-SNVBAGLBSA-N 0 3 268.282 3.335 20 30 CGEDHN COc1cc(F)c([C@H](C)NCCCCC#N)cc1OC ZINC000178649124 327795382 /nfs/dbraw/zinc/79/53/82/327795382.db2.gz ICOCCJXROMCKCL-NSHDSACASA-N 0 3 280.343 3.187 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000388368465 327875065 /nfs/dbraw/zinc/87/50/65/327875065.db2.gz IKAKGLBPTXYHMY-CQSZACIVSA-N 0 3 259.393 3.419 20 30 CGEDHN C=CC1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000338539090 327983559 /nfs/dbraw/zinc/98/35/59/327983559.db2.gz DJLMZEDJRSULMU-UHFFFAOYSA-N 0 3 298.430 3.321 20 30 CGEDHN CC(C)[C@@](C)(CO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000563614104 328077831 /nfs/dbraw/zinc/07/78/31/328077831.db2.gz WKZRBQKAXFBDKS-OAHLLOKOSA-N 0 3 299.336 3.054 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000274196147 328209280 /nfs/dbraw/zinc/20/92/80/328209280.db2.gz JHZCHBMLJRHBHJ-YDHLFZDLSA-N 0 3 258.365 3.428 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000274637589 328212297 /nfs/dbraw/zinc/21/22/97/328212297.db2.gz QIBYJPDMJDLQPA-SCRDCRAPSA-N 0 3 274.364 3.047 20 30 CGEDHN Cc1cnc(C2CCN(CCCCC#N)CC2)s1 ZINC000277553685 328221506 /nfs/dbraw/zinc/22/15/06/328221506.db2.gz WMAPKBYZMACERT-UHFFFAOYSA-N 0 3 263.410 3.325 20 30 CGEDHN N#CCCOCCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000293557963 328276732 /nfs/dbraw/zinc/27/67/32/328276732.db2.gz RSMYTZISZRJOMG-OAHLLOKOSA-N 0 3 292.810 3.277 20 30 CGEDHN C[C@@H]1CSC[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000295606505 328286160 /nfs/dbraw/zinc/28/61/60/328286160.db2.gz GCDWZRZHFJNWAM-SNPRPXQTSA-N 0 3 260.406 3.373 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000340586349 328295146 /nfs/dbraw/zinc/29/51/46/328295146.db2.gz SGCGWKRTURJLHZ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc(C#N)cc1Cl ZINC000565050269 322057266 /nfs/dbraw/zinc/05/72/66/322057266.db2.gz ZKQBTSKPJUCFRN-IAQYHMDHSA-N 0 3 280.799 3.098 20 30 CGEDHN CC[C@H](C)[C@@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000565539658 322081586 /nfs/dbraw/zinc/08/15/86/322081586.db2.gz HZTOCJKZGHTLOV-BBRMVZONSA-N 0 3 297.406 3.002 20 30 CGEDHN CC1(CN2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000566655071 322133037 /nfs/dbraw/zinc/13/30/37/322133037.db2.gz PJBGKEZRWLHBTJ-UHFFFAOYSA-N 0 3 252.361 3.447 20 30 CGEDHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986916 322186880 /nfs/dbraw/zinc/18/68/80/322186880.db2.gz IYYQYRMIWFFDLK-SMDDNHRTSA-N 0 3 273.336 3.229 20 30 CGEDHN CCC(O)(CC)C(C)(C)CNCc1cc(C#N)cs1 ZINC000574584758 322447810 /nfs/dbraw/zinc/44/78/10/322447810.db2.gz KPHAVULWSGMIPR-UHFFFAOYSA-N 0 3 280.437 3.287 20 30 CGEDHN N#CCCCOc1cccc(CN2C3CCC2CC3)c1 ZINC000535067382 328382804 /nfs/dbraw/zinc/38/28/04/328382804.db2.gz QLHIMPBTORNAJX-UHFFFAOYSA-N 0 3 270.376 3.496 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@]3(C2)CCc2ccccc2O3)C1 ZINC000559247787 327150089 /nfs/dbraw/zinc/15/00/89/327150089.db2.gz IMVYCKNUMKSHFP-KYJSFNMBSA-N 0 3 282.387 3.148 20 30 CGEDHN CCC[C@@H]1[C@H](C)CCCN1Cc1ccc(C#N)cn1 ZINC000578334746 327317500 /nfs/dbraw/zinc/31/75/00/327317500.db2.gz WUONBJYBYXIUHX-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CCOc1cccc(CN[C@H](C)[C@@H](OC)C2CC2)c1 ZINC000449632257 327398082 /nfs/dbraw/zinc/39/80/82/327398082.db2.gz QWFSADKLIDAZSD-CXAGYDPISA-N 0 3 275.392 3.155 20 30 CGEDHN C=C[C@H](CO)N[C@@H](CC)c1cccc(Br)c1 ZINC000289560407 327531365 /nfs/dbraw/zinc/53/13/65/327531365.db2.gz AKADUPKMKYQQPG-OLZOCXBDSA-N 0 3 284.197 3.037 20 30 CGEDHN C=CCN1CCC(NC(=O)CCC2CCCCC2)CC1 ZINC000171724585 329079328 /nfs/dbraw/zinc/07/93/28/329079328.db2.gz KAEYQMBTCSQVGG-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCC1(CNC(=O)N(CCN(C)C)C(C)C)CCCC1 ZINC000459045483 329135583 /nfs/dbraw/zinc/13/55/83/329135583.db2.gz DWTPHLWMXVGWAA-UHFFFAOYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000175273365 329166469 /nfs/dbraw/zinc/16/64/69/329166469.db2.gz DWKWTKIHIFRVRE-QGZVFWFLSA-N 0 3 286.419 3.124 20 30 CGEDHN C=CCCCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000175687662 329167935 /nfs/dbraw/zinc/16/79/35/329167935.db2.gz VMVWYCQZPWZJQK-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC[C@H](C)N[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000180949350 329224279 /nfs/dbraw/zinc/22/42/79/329224279.db2.gz QNYGAXFRCCEJMC-RYUDHWBXSA-N 0 3 288.370 3.330 20 30 CGEDHN C=C(C)CN(C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000181333423 329232051 /nfs/dbraw/zinc/23/20/51/329232051.db2.gz PJJFZIDVXJPNDZ-UHFFFAOYSA-N 0 3 274.408 3.080 20 30 CGEDHN C[C@H](NCCCC(C)(C)C#N)c1cn(-c2ccccc2)nn1 ZINC000185455370 329273828 /nfs/dbraw/zinc/27/38/28/329273828.db2.gz LBGVDYWDGFJVEC-AWEZNQCLSA-N 0 3 297.406 3.248 20 30 CGEDHN Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)ccc1C#N ZINC000582940414 329291650 /nfs/dbraw/zinc/29/16/50/329291650.db2.gz BMWCIFNXWUIFKT-CHWSQXEVSA-N 0 3 260.406 3.193 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000186625052 329346816 /nfs/dbraw/zinc/34/68/16/329346816.db2.gz AEKBBBJIHIRLEY-AWEZNQCLSA-N 0 3 270.376 3.353 20 30 CGEDHN C=CCCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425608868 329553736 /nfs/dbraw/zinc/55/37/36/329553736.db2.gz PIVJWNRZHQPAQJ-MRXNPFEDSA-N 0 3 286.419 3.252 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(F)c(F)c1 ZINC000125607729 329585217 /nfs/dbraw/zinc/58/52/17/329585217.db2.gz DMCQWHHTPUWNOV-LLVKDONJSA-N 0 3 255.308 3.208 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000237159033 329694088 /nfs/dbraw/zinc/69/40/88/329694088.db2.gz HQHIJRDTIRRVTH-SNVBAGLBSA-N 0 3 289.297 3.300 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(C3CC3)cc2)C1=O ZINC000419329425 329721388 /nfs/dbraw/zinc/72/13/88/329721388.db2.gz FFNHOVVVAWOBPC-CXAGYDPISA-N 0 3 284.403 3.002 20 30 CGEDHN COc1ccc(CN2[C@H](C)C[C@H]2C)cc1OCCCC#N ZINC000527529536 330258025 /nfs/dbraw/zinc/25/80/25/330258025.db2.gz ZUCROOANRCLJMD-ZIAGYGMSSA-N 0 3 288.391 3.360 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527904271 330289625 /nfs/dbraw/zinc/28/96/25/330289625.db2.gz KJVWBOBHSWDROW-ZNMIVQPWSA-N 0 3 281.758 3.400 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc2ccc(F)cc2s1 ZINC000424166592 330309314 /nfs/dbraw/zinc/30/93/14/330309314.db2.gz CSRQLYIMYKETEQ-GWCFXTLKSA-N 0 3 292.379 3.116 20 30 CGEDHN CCC1(CC)CN(C(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424174220 330314376 /nfs/dbraw/zinc/31/43/76/330314376.db2.gz LWSPGECSPMNVAR-HNNXBMFYSA-N 0 3 299.418 3.112 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](CC(C)C)C2)nn1 ZINC000424176025 330316162 /nfs/dbraw/zinc/31/61/62/330316162.db2.gz WOFYMXOEJLCDLP-HUUCEWRRSA-N 0 3 276.428 3.159 20 30 CGEDHN CCCOc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OC ZINC000424189976 330322912 /nfs/dbraw/zinc/32/29/12/330322912.db2.gz FKYBRDVNHQPXSS-DZGCQCFKSA-N 0 3 288.391 3.266 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(Cl)c1OC ZINC000424200777 330326605 /nfs/dbraw/zinc/32/66/05/330326605.db2.gz RIARQPACLCDHAQ-CMPLNLGQSA-N 0 3 294.782 3.139 20 30 CGEDHN Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000424316132 330339387 /nfs/dbraw/zinc/33/93/87/330339387.db2.gz AOXPIRJMMLYJFL-MBNYWOFBSA-N 0 3 273.336 3.246 20 30 CGEDHN CC(C)C1CCC(N2CCN(CCCC#N)CC2)CC1 ZINC000084681130 330362544 /nfs/dbraw/zinc/36/25/44/330362544.db2.gz PWHCZTVIKUYFRJ-UHFFFAOYSA-N 0 3 277.456 3.123 20 30 CGEDHN C=CCC[C@@H](NCc1cccnc1OCC)C1CC1 ZINC000120088723 330385432 /nfs/dbraw/zinc/38/54/32/330385432.db2.gz GHUSHWXRSZLWIY-OAHLLOKOSA-N 0 3 260.381 3.315 20 30 CGEDHN C=CCC[C@H](N[C@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000089637801 330386671 /nfs/dbraw/zinc/38/66/71/330386671.db2.gz NQCSGUTXUFHWJT-ZBFHGGJFSA-N 0 3 295.448 3.107 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2nc(C)sc21 ZINC000090450996 330392603 /nfs/dbraw/zinc/39/26/03/330392603.db2.gz RNJQBQNOALOXRL-LBPRGKRZSA-N 0 3 266.410 3.011 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000090883933 330396541 /nfs/dbraw/zinc/39/65/41/330396541.db2.gz VTHMSUASYKOTBW-SNVBAGLBSA-N 0 3 273.298 3.347 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000090919514 330397154 /nfs/dbraw/zinc/39/71/54/330397154.db2.gz NUYCXLLZKICEBC-ZDUSSCGKSA-N 0 3 261.365 3.158 20 30 CGEDHN C=CC1CCN(Cc2ccc(OC)c(OCC)c2)CC1 ZINC000093359229 330419555 /nfs/dbraw/zinc/41/95/55/330419555.db2.gz QFBWEFSEGXHSLZ-UHFFFAOYSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000429902884 330556314 /nfs/dbraw/zinc/55/63/14/330556314.db2.gz NRAGOHVTDMFDOU-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(C)CNCc1cc(Br)ccc1OC ZINC000153383800 330643307 /nfs/dbraw/zinc/64/33/07/330643307.db2.gz JDBFDNNWITTWST-UHFFFAOYSA-N 0 3 270.170 3.123 20 30 CGEDHN COc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442774378 330781874 /nfs/dbraw/zinc/78/18/74/330781874.db2.gz FADMGXKMGGHSNU-PWSUYJOCSA-N 0 3 298.308 3.496 20 30 CGEDHN CC#CCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449227134 330907648 /nfs/dbraw/zinc/90/76/48/330907648.db2.gz OWHHKVFIUPMESF-LLVKDONJSA-N 0 3 253.267 3.094 20 30 CGEDHN C=CCOc1ccc(CN[C@H](CO)C(C)(C)C)cc1Cl ZINC000194637044 330980941 /nfs/dbraw/zinc/98/09/41/330980941.db2.gz BNBACGSXIZCKMT-OAHLLOKOSA-N 0 3 297.826 3.401 20 30 CGEDHN C=CCCCCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451205646 331020579 /nfs/dbraw/zinc/02/05/79/331020579.db2.gz CWZVOLQINFPZTR-UHFFFAOYSA-N 0 3 286.419 3.496 20 30 CGEDHN Fc1ccc(C#CCN[C@H]2CCC23CCCC3)cc1 ZINC000451454969 331030152 /nfs/dbraw/zinc/03/01/52/331030152.db2.gz JGISMELPQYQBMD-INIZCTEOSA-N 0 3 257.352 3.490 20 30 CGEDHN CC#CCN[C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000451689649 331039318 /nfs/dbraw/zinc/03/93/18/331039318.db2.gz JVPIOBUMYBVANZ-CQSZACIVSA-N 0 3 285.309 3.396 20 30 CGEDHN CC[C@@H](C)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000451848396 331044560 /nfs/dbraw/zinc/04/45/60/331044560.db2.gz UQNIYHFGJMLKDP-MRXNPFEDSA-N 0 3 299.462 3.404 20 30 CGEDHN C=CCCC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000452735007 331074693 /nfs/dbraw/zinc/07/46/93/331074693.db2.gz WTVWFISCKSKTMK-UHFFFAOYSA-N 0 3 286.419 3.124 20 30 CGEDHN C=CC(C)(C)CN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000453303106 331113530 /nfs/dbraw/zinc/11/35/30/331113530.db2.gz BEYKFFQVMOFBFO-ZDUSSCGKSA-N 0 3 284.407 3.439 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc2ccccc2n1 ZINC000453339132 331118908 /nfs/dbraw/zinc/11/89/08/331118908.db2.gz CUXZYIAVNPLGGW-DZGCQCFKSA-N 0 3 270.376 3.213 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000453340330 331119030 /nfs/dbraw/zinc/11/90/30/331119030.db2.gz CFHZGQLODUEUMC-SNVBAGLBSA-N 0 3 253.367 3.152 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(F)c1F ZINC000453357359 331121795 /nfs/dbraw/zinc/12/17/95/331121795.db2.gz OLFAWVRAJWBXDK-GDLCADMTSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000453375588 331124783 /nfs/dbraw/zinc/12/47/83/331124783.db2.gz XFZVOTRBXMVVON-OAGGEKHMSA-N 0 3 285.387 3.366 20 30 CGEDHN CCOc1ccc(CNCC(C)(C)CC#N)cc1F ZINC000459730071 331296390 /nfs/dbraw/zinc/29/63/90/331296390.db2.gz LGYGOKQLMOWZOP-UHFFFAOYSA-N 0 3 264.344 3.254 20 30 CGEDHN C=C(CC)CN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000464565700 331362747 /nfs/dbraw/zinc/36/27/47/331362747.db2.gz AFYXYFBLNMLIPE-CYBMUJFWSA-N 0 3 253.386 3.006 20 30 CGEDHN C=CCOc1ccccc1CN1CCN(C)[C@H](C(C)C)C1 ZINC000488530505 332015792 /nfs/dbraw/zinc/01/57/92/332015792.db2.gz CZNNHMQJCVNTGT-KRWDZBQOSA-N 0 3 288.435 3.023 20 30 CGEDHN COCCN(CCCC(C)(C)C#N)Cc1scnc1C ZINC000489474755 332054017 /nfs/dbraw/zinc/05/40/17/332054017.db2.gz KXRAYKNRLOKKHN-UHFFFAOYSA-N 0 3 295.452 3.230 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccccc1F ZINC000489466762 332054194 /nfs/dbraw/zinc/05/41/94/332054194.db2.gz YXLLDURGHOVASJ-ZDUSSCGKSA-N 0 3 276.355 3.195 20 30 CGEDHN C#C[C@H](C)N(C)C/C(C)=C/c1ccccc1COC ZINC000491072551 332146856 /nfs/dbraw/zinc/14/68/56/332146856.db2.gz STDGVNFDLMIGQO-GOFCXVBSSA-N 0 3 257.377 3.190 20 30 CGEDHN C=CCCC[C@H](C)NCc1cnnn1Cc1ccccc1 ZINC000491293907 332182966 /nfs/dbraw/zinc/18/29/66/332182966.db2.gz HMWBUQJUTWGSIM-HNNXBMFYSA-N 0 3 284.407 3.161 20 30 CGEDHN C=CCN(CC=C)Cc1ccccc1N1CCN(CC)CC1 ZINC000505865313 332755705 /nfs/dbraw/zinc/75/57/05/332755705.db2.gz ZWEOTCALOSFAKG-UHFFFAOYSA-N 0 3 299.462 3.003 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000186367270 333159622 /nfs/dbraw/zinc/15/96/22/333159622.db2.gz HZDCPFGCIWMBMX-ZWKOTPCHSA-N 0 3 289.394 3.361 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@@H]1CC ZINC000523557897 333333132 /nfs/dbraw/zinc/33/31/32/333333132.db2.gz FTNJOILQXDULIA-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN COC(=O)CN(CCCCC(C)(C)C#N)C1CCCC1 ZINC000234514050 333360565 /nfs/dbraw/zinc/36/05/65/333360565.db2.gz DDRORSVBYMYOAZ-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN COc1ccc([C@@H](C)NCCCC#N)cc1Cl ZINC000541571798 333781607 /nfs/dbraw/zinc/78/16/07/333781607.db2.gz ZKCOWLIFLCUVST-SNVBAGLBSA-N 0 3 252.745 3.303 20 30 CGEDHN C=C[C@@H](CC(=O)NCCN(C)CCCC)c1ccccc1 ZINC000134421442 334090245 /nfs/dbraw/zinc/09/02/45/334090245.db2.gz JTJPVJTVUJGVFV-INIZCTEOSA-N 0 3 288.435 3.194 20 30 CGEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCCc2ccccc21 ZINC000548782249 334173730 /nfs/dbraw/zinc/17/37/30/334173730.db2.gz PIUYMEBWPFJECW-HOCLYGCPSA-N 0 3 267.376 3.140 20 30 CGEDHN CCC[C@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548865845 334177543 /nfs/dbraw/zinc/17/75/43/334177543.db2.gz XKNWBVUJJUURHF-AWEZNQCLSA-N 0 3 257.381 3.127 20 30 CGEDHN C=CCOCCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000549612494 334199797 /nfs/dbraw/zinc/19/97/97/334199797.db2.gz SRNYZGVBHHEDOY-NSHDSACASA-N 0 3 265.319 3.099 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000154223988 334690889 /nfs/dbraw/zinc/69/08/89/334690889.db2.gz DRAHFHYCTOXJLY-GHMZBOCLSA-N 0 3 264.325 3.219 20 30 CGEDHN CCN(Cc1ccncc1)Cc1ccc(CC#N)cc1 ZINC000343754844 335219006 /nfs/dbraw/zinc/21/90/06/335219006.db2.gz WYPPBJFEJJPNPN-UHFFFAOYSA-N 0 3 265.360 3.170 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000192599039 335281002 /nfs/dbraw/zinc/28/10/02/335281002.db2.gz MRMPWSWGODZZKE-MAUKXSAKSA-N 0 3 298.430 3.316 20 30 CGEDHN C[C@@H]1Cc2ccccc2N1CCNCc1ccc(C#N)s1 ZINC000176957301 335344766 /nfs/dbraw/zinc/34/47/66/335344766.db2.gz UYGMCMKSONWNJE-CYBMUJFWSA-N 0 3 297.427 3.161 20 30 CGEDHN Cc1cccc(C)c1OCCNCc1cc(C#N)cs1 ZINC000177688538 335379258 /nfs/dbraw/zinc/37/92/58/335379258.db2.gz AALPMFPOYLWJQV-UHFFFAOYSA-N 0 3 286.400 3.405 20 30 CGEDHN C=CCCCCN1CCN(C)C2(CCCCC2)C1 ZINC000577623209 335380830 /nfs/dbraw/zinc/38/08/30/335380830.db2.gz INLPIWKRBFGNJZ-UHFFFAOYSA-N 0 3 250.430 3.293 20 30 CGEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000578063302 335474874 /nfs/dbraw/zinc/47/48/74/335474874.db2.gz KBZDBFFOLKCTKK-FRRDWIJNSA-N 0 3 273.336 3.246 20 30 CGEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccccc1 ZINC000181376506 335759567 /nfs/dbraw/zinc/75/95/67/335759567.db2.gz MUJYZIQSHLHWPN-CQSZACIVSA-N 0 3 266.344 3.288 20 30 CGEDHN CC#CCCNCc1cc(Br)c(OC)s1 ZINC000380219795 335962940 /nfs/dbraw/zinc/96/29/40/335962940.db2.gz JAGQAFPGNUWNKZ-UHFFFAOYSA-N 0 3 288.210 3.022 20 30 CGEDHN COc1cccc([C@@H]2C[C@H]2CNCc2ccc(C#N)o2)c1 ZINC000414549504 533753047 /nfs/dbraw/zinc/75/30/47/533753047.db2.gz ATOXYIAGXWHGNR-GUYCJALGSA-N 0 3 282.343 3.053 20 30 CGEDHN C[C@H]1CC[C@]2(CCN(Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000368086554 533774135 /nfs/dbraw/zinc/77/41/35/533774135.db2.gz QNXACZFPALAVCL-KSSFIOAISA-N 0 3 294.402 3.218 20 30 CGEDHN C[C@H](CN(C)Cc1ccc(CC#N)cc1)c1nccs1 ZINC000344341788 534021985 /nfs/dbraw/zinc/02/19/85/534021985.db2.gz YURLZHOPSWJMCN-CYBMUJFWSA-N 0 3 285.416 3.445 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000347072284 534284193 /nfs/dbraw/zinc/28/41/93/534284193.db2.gz PNZKCURRJOTIMQ-MLGOLLRUSA-N 0 3 282.318 3.191 20 30 CGEDHN CC(C)(C)[C@@H](CCO)NCC#Cc1cccc(Cl)c1 ZINC000183674071 518916517 /nfs/dbraw/zinc/91/65/17/518916517.db2.gz KPRYKAPTGHESSE-OAHLLOKOSA-N 0 3 279.811 3.078 20 30 CGEDHN Cc1ccc2nc(CNC3CCC(C)(C#N)CC3)cn2c1 ZINC000336226333 534502485 /nfs/dbraw/zinc/50/24/85/534502485.db2.gz RGTYUCHPIKLYFX-UHFFFAOYSA-N 0 3 282.391 3.205 20 30 CGEDHN CN(C)CCSCc1ccc(C#N)cc1Cl ZINC000163436035 521804068 /nfs/dbraw/zinc/80/40/68/521804068.db2.gz ORZZILATJUUHOI-UHFFFAOYSA-N 0 3 254.786 3.006 20 30 CGEDHN C[C@H](CN(C)Cc1ccc(F)c(C#N)c1)c1nccs1 ZINC000183957001 524295917 /nfs/dbraw/zinc/29/59/17/524295917.db2.gz JXCMLRBFVHUNCH-LLVKDONJSA-N 0 3 289.379 3.389 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc2c(c1)OCCO2 ZINC000352699547 526326804 /nfs/dbraw/zinc/32/68/04/526326804.db2.gz ARDCZEYVJZATNL-UHFFFAOYSA-N 0 3 299.370 3.282 20 30 CGEDHN C=CCN(Cc1ccc(OCC)c(OC)c1)C1CC1 ZINC000350262837 526341435 /nfs/dbraw/zinc/34/14/35/526341435.db2.gz IYQLHPLQOJLSHK-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN C=CCNC(=O)CN[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000347333161 526571477 /nfs/dbraw/zinc/57/14/77/526571477.db2.gz JGYMRQKDUGRKEV-QGZVFWFLSA-N 0 3 286.419 3.079 20 30 CGEDHN C=C(C)COCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000353264567 526656445 /nfs/dbraw/zinc/65/64/45/526656445.db2.gz KWZNLPWABDXQNQ-HNNXBMFYSA-N 0 3 283.799 3.210 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348417828 527294302 /nfs/dbraw/zinc/29/43/02/527294302.db2.gz FRQZYLJFZDGXQK-YOEHRIQHSA-N 0 3 295.386 3.102 20 30 CGEDHN C=C[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)s1 ZINC000352480829 527440997 /nfs/dbraw/zinc/44/09/97/527440997.db2.gz LWQCQKAERWSGKK-ZDUSSCGKSA-N 0 3 277.364 3.191 20 30 CGEDHN C=CCC[C@@H](NCC1(C(=O)NCC)CCC1)c1ccco1 ZINC000353587041 527446816 /nfs/dbraw/zinc/44/68/16/527446816.db2.gz DTRCLZLDDKDTJX-CQSZACIVSA-N 0 3 290.407 3.183 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@@H](C)c1ccccc1OC ZINC000347045525 527771902 /nfs/dbraw/zinc/77/19/02/527771902.db2.gz ZOVYZJRPCIITEL-STQMWFEESA-N 0 3 274.364 3.154 20 30 CGEDHN CC(C)CC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425540507 527850984 /nfs/dbraw/zinc/85/09/84/527850984.db2.gz VOOKSILSJGCVPH-PBHICJAKSA-N 0 3 274.408 3.348 20 30 CGEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000344320158 529105373 /nfs/dbraw/zinc/10/53/73/529105373.db2.gz KVRNQOLEXQKUKE-MFKMUULPSA-N 0 3 264.756 3.313 20 30 CGEDHN Cc1ncccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000729686010 571929559 /nfs/dbraw/zinc/92/95/59/571929559.db2.gz RBWGYZUWLBGSMS-ZDUSSCGKSA-N 0 3 281.359 3.143 20 30 CGEDHN C(=Nn1cnnc1-c1ccccc1)[C@H]1CC=CCC1 ZINC000725856358 572447619 /nfs/dbraw/zinc/44/76/19/572447619.db2.gz JDYRYQWWRKDOKO-ZDUSSCGKSA-N 0 3 252.321 3.135 20 30 CGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000735208233 572708941 /nfs/dbraw/zinc/70/89/41/572708941.db2.gz KWSKYFFDYABLMB-VCFDLTMXSA-N 0 3 290.750 3.344 20 30 CGEDHN C=CCCC[N@@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413381 572717397 /nfs/dbraw/zinc/71/73/97/572717397.db2.gz SXTUMVIOUITPIV-CYBMUJFWSA-N 0 3 285.395 3.216 20 30 CGEDHN C=CCCC[N@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413381 572717401 /nfs/dbraw/zinc/71/74/01/572717401.db2.gz SXTUMVIOUITPIV-CYBMUJFWSA-N 0 3 285.395 3.216 20 30 CGEDHN C=CCCC[N@@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413381 572717403 /nfs/dbraw/zinc/71/74/03/572717403.db2.gz SXTUMVIOUITPIV-CYBMUJFWSA-N 0 3 285.395 3.216 20 30 CGEDHN C=CCCC[N@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413381 572717407 /nfs/dbraw/zinc/71/74/07/572717407.db2.gz SXTUMVIOUITPIV-CYBMUJFWSA-N 0 3 285.395 3.216 20 30 CGEDHN C=CCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735412658 572717860 /nfs/dbraw/zinc/71/78/60/572717860.db2.gz HECJDYDWIMIQAG-UHFFFAOYSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735412658 572717861 /nfs/dbraw/zinc/71/78/61/572717861.db2.gz HECJDYDWIMIQAG-UHFFFAOYSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735412658 572717862 /nfs/dbraw/zinc/71/78/62/572717862.db2.gz HECJDYDWIMIQAG-UHFFFAOYSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735412658 572717863 /nfs/dbraw/zinc/71/78/63/572717863.db2.gz HECJDYDWIMIQAG-UHFFFAOYSA-N 0 3 285.395 3.043 20 30 CGEDHN C[C@@H]1CN(CCCSCC#N)Cc2ccccc21 ZINC000745982649 572846913 /nfs/dbraw/zinc/84/69/13/572846913.db2.gz WHEAWPVJMOWAKO-CYBMUJFWSA-N 0 3 260.406 3.253 20 30 CGEDHN C#CCN(CC)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000746457587 572872061 /nfs/dbraw/zinc/87/20/61/572872061.db2.gz KEPCQHSXBPCIHX-UHFFFAOYSA-N 0 3 299.201 3.277 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC12CCCC2 ZINC000747478000 572931124 /nfs/dbraw/zinc/93/11/24/572931124.db2.gz DIIVEAQNZDDFQV-STQMWFEESA-N 0 3 293.370 3.330 20 30 CGEDHN N#Cc1ccc(CNCCCOc2ccccc2F)s1 ZINC000749110124 572989190 /nfs/dbraw/zinc/98/91/90/572989190.db2.gz ZIWUNVHZCKXCIN-UHFFFAOYSA-N 0 3 290.363 3.318 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852589 613337512 /nfs/dbraw/zinc/33/75/12/613337512.db2.gz YEFNJAWINORLHD-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974720296 613338026 /nfs/dbraw/zinc/33/80/26/613338026.db2.gz MLWRCQKSUIGJBK-JKSUJKDBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)C2CCCCC2)C1 ZINC000972507076 613626375 /nfs/dbraw/zinc/62/63/75/613626375.db2.gz PZIGDIRDTLMSCR-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccoc1Cl ZINC000968832196 613686968 /nfs/dbraw/zinc/68/69/68/613686968.db2.gz UXCMRZFKVUVMCY-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000940731394 613749623 /nfs/dbraw/zinc/74/96/23/613749623.db2.gz SWMOIJGHELRIPX-CQSZACIVSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2occc2C(C)C)[C@@H](C)C1 ZINC000942577599 613763150 /nfs/dbraw/zinc/76/31/50/613763150.db2.gz MTKGLFDUQHBVHR-DZGCQCFKSA-N 0 3 290.407 3.029 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000940547043 613791130 /nfs/dbraw/zinc/79/11/30/613791130.db2.gz DHOIEGLZIMAPPU-INIZCTEOSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H](C)C1 ZINC000943332837 613799443 /nfs/dbraw/zinc/79/94/43/613799443.db2.gz FNHVIDXJWKNTJD-PWSUYJOCSA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001022271575 618248706 /nfs/dbraw/zinc/24/87/06/618248706.db2.gz GPBQQVDGBWBSIH-KFWWJZLASA-N 0 3 296.842 3.112 20 30 CGEDHN COCCCC1(CN(CCC#N)CC2CC2)CCC1 ZINC000891933905 618393912 /nfs/dbraw/zinc/39/39/12/618393912.db2.gz OMFUECSRDAPLLM-UHFFFAOYSA-N 0 3 264.413 3.209 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cccc(C(=O)NCC(C)C)c1 ZINC000934469527 618626568 /nfs/dbraw/zinc/62/65/68/618626568.db2.gz VJNIAQUXXPVNNY-QGZVFWFLSA-N 0 3 286.419 3.223 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@]2(C)CCCO2)c([O-])c1 ZINC000255776875 618791470 /nfs/dbraw/zinc/79/14/70/618791470.db2.gz RTRACPAUNZQRLH-KMTKGMGQSA-N 0 3 290.407 3.226 20 30 CGEDHN C=C(CNCc1cn(C)nc1C1CC1)c1ccccc1 ZINC000892712574 618919083 /nfs/dbraw/zinc/91/90/83/618919083.db2.gz SBJUQXJSIFYOPT-UHFFFAOYSA-N 0 3 267.376 3.101 20 30 CGEDHN COc1ccccc1O[C@@H](C)CNCC#Cc1ccccc1 ZINC000893094481 618993768 /nfs/dbraw/zinc/99/37/68/618993768.db2.gz KBIBRUPGSGXJKL-INIZCTEOSA-N 0 3 295.382 3.104 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(OC)CCC2)c([O-])c1 ZINC000182198499 619033647 /nfs/dbraw/zinc/03/36/47/619033647.db2.gz BCOIFFTYMHATIJ-LDADJPATSA-N 0 3 290.407 3.226 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000931064034 619107716 /nfs/dbraw/zinc/10/77/16/619107716.db2.gz YYNBWHXETVRLBE-OUAUKWLOSA-N 0 3 299.283 3.118 20 30 CGEDHN N#Cc1cccc(CN2CCC3(CCCC3)C2)c1F ZINC000311369998 619141971 /nfs/dbraw/zinc/14/19/71/619141971.db2.gz IFHKYFKVEYGTNI-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cc(N)ccn1 ZINC000925767476 619228273 /nfs/dbraw/zinc/22/82/73/619228273.db2.gz PPBNZAPJQMVQLP-GOSISDBHSA-N 0 3 292.386 3.093 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000931753030 619249098 /nfs/dbraw/zinc/24/90/98/619249098.db2.gz PEHSVLPWLQHTIM-GDBMZVCRSA-N 0 3 290.794 3.213 20 30 CGEDHN CSC[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000067001873 619272187 /nfs/dbraw/zinc/27/21/87/619272187.db2.gz OKGLUPWYYBXBNY-UWVGGRQHSA-N 0 3 274.345 3.003 20 30 CGEDHN CCN(Cc1n[nH]c(C)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000893950756 619339567 /nfs/dbraw/zinc/33/95/67/619339567.db2.gz AHPDRLPVLRXSFV-CQSZACIVSA-N 0 3 282.391 3.481 20 30 CGEDHN COCCCC1(CN(C)CC(C)(C)C#N)CCC1 ZINC000894608827 619585369 /nfs/dbraw/zinc/58/53/69/619585369.db2.gz AJRHTKRBVHCWJG-UHFFFAOYSA-N 0 3 252.402 3.065 20 30 CGEDHN N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc([O-])cc(Cl)c2)C1 ZINC000894694981 619606792 /nfs/dbraw/zinc/60/67/92/619606792.db2.gz JLTKAXJUJSFKFZ-GWCFXTLKSA-N 0 3 264.756 3.218 20 30 CGEDHN C[C@@H](NN=Cc1ccc(N2CCCC2)nc1)C(C)(C)C ZINC000793113449 619678821 /nfs/dbraw/zinc/67/88/21/619678821.db2.gz AILZDONBDFXWDG-CYBMUJFWSA-N 0 3 274.412 3.040 20 30 CGEDHN C=CC(C)(C)CC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000909477107 619759176 /nfs/dbraw/zinc/75/91/76/619759176.db2.gz RLVUHWBUCKUDFP-UHFFFAOYSA-N 0 3 290.407 3.298 20 30 CGEDHN C=CCCC1(CNCc2nnc(C)s2)CCCC1 ZINC000895320155 619805018 /nfs/dbraw/zinc/80/50/18/619805018.db2.gz MPJTTXLWFSDOQZ-UHFFFAOYSA-N 0 3 265.426 3.463 20 30 CGEDHN C=C(C)C[N@@H+](CC)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000007489311 620097576 /nfs/dbraw/zinc/09/75/76/620097576.db2.gz UDTKUAMJYZSYNO-UHFFFAOYSA-N 0 3 287.359 3.205 20 30 CGEDHN C=C(C)C[N@H+](CC)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000007489311 620097578 /nfs/dbraw/zinc/09/75/78/620097578.db2.gz UDTKUAMJYZSYNO-UHFFFAOYSA-N 0 3 287.359 3.205 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H](C3CCOCC3)C2)cs1 ZINC000897271382 620176143 /nfs/dbraw/zinc/17/61/43/620176143.db2.gz KSPDWMHDRZMBPL-HNNXBMFYSA-N 0 3 290.432 3.258 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(Br)c1)C(C)C ZINC000309985517 620206415 /nfs/dbraw/zinc/20/64/15/620206415.db2.gz LXRXPNOBYFJTOR-CYBMUJFWSA-N 0 3 296.208 3.205 20 30 CGEDHN C#CCC1([NH2+]Cc2cc(Cl)c([O-])c(OCC)c2)CCC1 ZINC000897350878 620222176 /nfs/dbraw/zinc/22/21/76/620222176.db2.gz NFYOHSZUODDUAE-UHFFFAOYSA-N 0 3 293.794 3.480 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(CSC(F)F)o1 ZINC000321039864 620274878 /nfs/dbraw/zinc/27/48/78/620274878.db2.gz SKKLTYAHPYYQFI-SNVBAGLBSA-N 0 3 291.363 3.152 20 30 CGEDHN C/C(C=Nn1cnnc1)=C/c1ccccc1C(F)(F)F ZINC000799865472 620306208 /nfs/dbraw/zinc/30/62/08/620306208.db2.gz GRAGDGJYMLTKEO-NPMASPPRSA-N 0 3 280.253 3.234 20 30 CGEDHN C=CCCCN(CC)Cc1cnc(CCOC)s1 ZINC000898245168 620496500 /nfs/dbraw/zinc/49/65/00/620496500.db2.gz XLNXZLTWFCRSMO-UHFFFAOYSA-N 0 3 268.426 3.120 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007061122 620516887 /nfs/dbraw/zinc/51/68/87/620516887.db2.gz YCWGOFYGYCUWGK-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C[C@H](NC[C@]1(C)CCCCO1)c1ccc(C#N)cc1F ZINC000927022745 620563526 /nfs/dbraw/zinc/56/35/26/620563526.db2.gz SFALMOCFOHEEMH-LRDDRELGSA-N 0 3 276.355 3.307 20 30 CGEDHN COCCOc1ccccc1CN[C@@H](C)CC(C)(C)C#N ZINC000924735828 620598926 /nfs/dbraw/zinc/59/89/26/620598926.db2.gz WPPIQPGVHSQDPU-AWEZNQCLSA-N 0 3 290.407 3.130 20 30 CGEDHN C=C(Br)CN[C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902792864 621449164 /nfs/dbraw/zinc/44/91/64/621449164.db2.gz DUHRZWTVOPQJFI-AAEUAGOBSA-N 0 3 296.208 3.124 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1cccc(C#N)c1 ZINC000902888617 621485622 /nfs/dbraw/zinc/48/56/22/621485622.db2.gz UPNGJOKQGRYDST-XHDPSFHLSA-N 0 3 254.337 3.083 20 30 CGEDHN CC[C@@H](N[C@@H]1CCCn2nccc21)c1cccc(C#N)c1 ZINC000903084833 621564724 /nfs/dbraw/zinc/56/47/24/621564724.db2.gz KMGPENVLTGMAJX-HZPDHXFCSA-N 0 3 280.375 3.331 20 30 CGEDHN N#CC1(CN[C@H](C2CCC2)[C@H]2CCCO2)CCCC1 ZINC000903109879 621583331 /nfs/dbraw/zinc/58/33/31/621583331.db2.gz WVFNCSSIHOOHGY-HUUCEWRRSA-N 0 3 262.397 3.008 20 30 CGEDHN CC(C)c1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905087234 622033843 /nfs/dbraw/zinc/03/38/43/622033843.db2.gz WNJMYXADPXBXHN-ZEVOCZHWSA-N 0 3 267.332 3.242 20 30 CGEDHN CC1/C(=C/c2ccsc2C(F)(F)F)C(=O)c2ncnn21 ZINC000905086942 622033972 /nfs/dbraw/zinc/03/39/72/622033972.db2.gz UWBPLIHTJOPMGI-LBOWODLNSA-N 0 3 299.277 3.199 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000912100049 622605827 /nfs/dbraw/zinc/60/58/27/622605827.db2.gz LFSBFVDPFUMCKH-INIZCTEOSA-N 0 3 290.382 3.000 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1c(C)noc1C ZINC000912278107 622631275 /nfs/dbraw/zinc/63/12/75/622631275.db2.gz ZHWSCIFOFNQTOG-ZDUSSCGKSA-N 0 3 281.400 3.308 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1OCC(C)C ZINC000912325700 622636682 /nfs/dbraw/zinc/63/66/82/622636682.db2.gz IKWOVRNOEXXNJJ-CQSZACIVSA-N 0 3 290.407 3.344 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000912394102 622646088 /nfs/dbraw/zinc/64/60/88/622646088.db2.gz HWQQDKWCAFKSRO-IAGOWNOFSA-N 0 3 286.419 3.342 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)cc1OCC ZINC000912457796 622659584 /nfs/dbraw/zinc/65/95/84/622659584.db2.gz AWZWTTPGPALVAC-ZDUSSCGKSA-N 0 3 276.380 3.016 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000045796824 622898802 /nfs/dbraw/zinc/89/88/02/622898802.db2.gz XEEXWVWKJUYWDE-SFHVURJKSA-N 0 3 267.372 3.408 20 30 CGEDHN C[C@@H]1CC[C@@H](CCC(=O)C(C#N)c2nc3ccccc3o2)O1 ZINC000174013388 623353208 /nfs/dbraw/zinc/35/32/08/623353208.db2.gz GDZNIPRALUDZPS-FRRDWIJNSA-N 0 3 298.342 3.352 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@H]12 ZINC000992289016 623504434 /nfs/dbraw/zinc/50/44/34/623504434.db2.gz URLJXKMAMOYUDI-PKOBYXMFSA-N 0 3 296.414 3.242 20 30 CGEDHN Cc1ccc(F)c(N=NC2C[C@H](C)N(C3CC3)C2)c1 ZINC000759653596 623563813 /nfs/dbraw/zinc/56/38/13/623563813.db2.gz SHHHJAMDONLTAY-NSHDSACASA-N 0 3 261.344 3.159 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(C)s2)[C@@H]1C ZINC000992970361 623760996 /nfs/dbraw/zinc/76/09/96/623760996.db2.gz RMLNDYBSRSECSO-KBPBESRZSA-N 0 3 292.448 3.215 20 30 CGEDHN C[C@@H](COc1cccc(F)c1)NCc1csc(C#N)c1 ZINC000921579893 625685912 /nfs/dbraw/zinc/68/59/12/625685912.db2.gz VVCFRKNLZGDRBT-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993198946 623944501 /nfs/dbraw/zinc/94/45/01/623944501.db2.gz FWZHCUYPJWCVPU-HIFRSBDPSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993290997 623998914 /nfs/dbraw/zinc/99/89/14/623998914.db2.gz BYUZBCHWKOSDAS-WBVHZDCISA-N 0 3 290.451 3.422 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccsc2)nc(C)n1 ZINC000916880732 624220978 /nfs/dbraw/zinc/22/09/78/624220978.db2.gz VDRZHNVJSBBCPD-SCOBNMCVSA-N 0 3 283.356 3.045 20 30 CGEDHN C#CCCCN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000766895817 624384667 /nfs/dbraw/zinc/38/46/67/624384667.db2.gz SSTPSYZRUWNJSR-UHFFFAOYSA-N 0 3 294.801 3.010 20 30 CGEDHN C=CC[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000155026241 624412809 /nfs/dbraw/zinc/41/28/09/624412809.db2.gz RBBHOOSCIMPSSX-UHFFFAOYSA-N 0 3 257.333 3.172 20 30 CGEDHN C=CC[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000155026241 624412812 /nfs/dbraw/zinc/41/28/12/624412812.db2.gz RBBHOOSCIMPSSX-UHFFFAOYSA-N 0 3 257.333 3.172 20 30 CGEDHN C#CCN(Cc1ccc(Br)cc1)C(C)C ZINC000920089834 624446051 /nfs/dbraw/zinc/44/60/51/624446051.db2.gz UVTXPPRRLNITKJ-UHFFFAOYSA-N 0 3 266.182 3.293 20 30 CGEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000180737249 624770026 /nfs/dbraw/zinc/77/00/26/624770026.db2.gz OUUGYIZFIIKJOB-INIZCTEOSA-N 0 3 296.370 3.090 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(C)s2)C1 ZINC000998380746 625807241 /nfs/dbraw/zinc/80/72/41/625807241.db2.gz RGTARXHLZAUQQI-UHFFFAOYSA-N 0 3 298.839 3.002 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000999715205 625833589 /nfs/dbraw/zinc/83/35/89/625833589.db2.gz CQLQLOVJOGLATM-QUWGATTBSA-N 0 3 298.858 3.144 20 30 CGEDHN N#Cc1cc(CNC2(c3ccccc3)CCOCC2)cs1 ZINC000921778372 625872951 /nfs/dbraw/zinc/87/29/51/625872951.db2.gz ZPMJBXYSYHSTKV-UHFFFAOYSA-N 0 3 298.411 3.415 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001000880820 625883365 /nfs/dbraw/zinc/88/33/65/625883365.db2.gz XCKIHPYIHZGLDE-IRXDYDNUSA-N 0 3 290.451 3.137 20 30 CGEDHN N#Cc1ccc(Br)c(CN[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000922260508 625990895 /nfs/dbraw/zinc/99/08/95/625990895.db2.gz XUXITGBNLUOPDL-IMRBUKKESA-N 0 3 291.192 3.209 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC=CCCC2)CC1 ZINC001005578811 626092795 /nfs/dbraw/zinc/09/27/95/626092795.db2.gz HHOFQUNKJAKKQX-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)sc2C)CC1 ZINC001005676151 626094900 /nfs/dbraw/zinc/09/49/00/626094900.db2.gz LAWGGJIYMAJWMO-UHFFFAOYSA-N 0 3 292.448 3.087 20 30 CGEDHN C#CCC1(NCc2nccn2C(C)C)CCCCC1 ZINC000922982209 626115454 /nfs/dbraw/zinc/11/54/54/626115454.db2.gz YKPAZEDXRYFKIL-UHFFFAOYSA-N 0 3 259.397 3.280 20 30 CGEDHN C#CCC1(NCc2nc3ccc(OC)cc3s2)CCC1 ZINC000922997397 626117342 /nfs/dbraw/zinc/11/73/42/626117342.db2.gz HLKJJCVSSBKJRI-UHFFFAOYSA-N 0 3 286.400 3.341 20 30 CGEDHN Cc1cc(F)ccc1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000750938351 626369637 /nfs/dbraw/zinc/36/96/37/626369637.db2.gz FXKOUBVNSDCNHI-NSHDSACASA-N 0 3 261.344 3.159 20 30 CGEDHN C[C@@H]1CN(C)CC1N=Nc1ccnc2cc(Cl)ccc12 ZINC000752154937 626420509 /nfs/dbraw/zinc/42/05/09/626420509.db2.gz MFDDSQDYQROWPS-SNVBAGLBSA-N 0 3 288.782 3.238 20 30 CGEDHN C[C@H](N(C)Cn1ccc(-c2ccc(C#N)cc2)n1)C1(C)CC1 ZINC000753112586 626445727 /nfs/dbraw/zinc/44/57/27/626445727.db2.gz VDJRGSNWWFUOIO-AWEZNQCLSA-N 0 3 294.402 3.500 20 30 CGEDHN C#CCOCCN[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000753768853 626465346 /nfs/dbraw/zinc/46/53/46/626465346.db2.gz NOFPVBKWWJQMAR-CYBMUJFWSA-N 0 3 287.359 3.132 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)s1 ZINC000754673772 626581548 /nfs/dbraw/zinc/58/15/48/626581548.db2.gz YVOCIRBITKGOCR-ZIAGYGMSSA-N 0 3 292.448 3.296 20 30 CGEDHN CCCCCCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000755076024 626599546 /nfs/dbraw/zinc/59/95/46/626599546.db2.gz QSFSCYFKTRXDAX-MRXNPFEDSA-N 0 3 293.455 3.003 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc2cnccc21 ZINC000755890100 626656455 /nfs/dbraw/zinc/65/64/55/626656455.db2.gz POUYSDUUGBFNLY-GFCCVEGCSA-N 0 3 280.375 3.117 20 30 CGEDHN C=C(C)COCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756761959 626729663 /nfs/dbraw/zinc/72/96/63/626729663.db2.gz VMNDLTMWDYMJKU-WCQYABFASA-N 0 3 279.355 3.262 20 30 CGEDHN CC(C)N1CC(=NOCc2ccc(F)cc2)[C@@H](C)C1 ZINC000758143885 626830902 /nfs/dbraw/zinc/83/09/02/626830902.db2.gz XIFVZDHSELTAPD-LBPRGKRZSA-N 0 3 264.344 3.058 20 30 CGEDHN C#CCN(CCc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000763951281 627187249 /nfs/dbraw/zinc/18/72/49/627187249.db2.gz VBUOTKBFFWAURC-UHFFFAOYSA-N 0 3 283.293 3.225 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](C)CC(F)(F)F)cc1 ZINC000766479694 627335546 /nfs/dbraw/zinc/33/55/46/627335546.db2.gz OTRINQLZENQTEW-NSHDSACASA-N 0 3 271.282 3.129 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCOC(C)(C)C)cc1 ZINC000769514042 627561627 /nfs/dbraw/zinc/56/16/27/627561627.db2.gz FGHXRFJCDOMJAS-AWEZNQCLSA-N 0 3 290.407 3.224 20 30 CGEDHN CC(=NNCc1ccccc1)c1ccccc1N(C)C ZINC000769569389 627567511 /nfs/dbraw/zinc/56/75/11/627567511.db2.gz QGPPXTRFTVJUHW-UHFFFAOYSA-N 0 3 267.376 3.266 20 30 CGEDHN C#C[C@@H](C)N(C)CCOc1c(Cl)cccc1Cl ZINC000769976302 627593764 /nfs/dbraw/zinc/59/37/64/627593764.db2.gz YNDFRBDWIJUHND-SNVBAGLBSA-N 0 3 272.175 3.326 20 30 CGEDHN CCN(C)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000773832296 627917925 /nfs/dbraw/zinc/91/79/25/627917925.db2.gz OPCOTYUGCUVQOP-UHFFFAOYSA-N 0 3 271.408 3.268 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000775184993 628070703 /nfs/dbraw/zinc/07/07/03/628070703.db2.gz UNECEMILBBVABU-OAHLLOKOSA-N 0 3 289.382 3.479 20 30 CGEDHN C#C[C@H](N[C@H](C)c1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000775572320 628108989 /nfs/dbraw/zinc/10/89/89/628108989.db2.gz ABPWSNHJMCXEEN-BVGQSLNGSA-N 0 3 269.388 3.007 20 30 CGEDHN C#C[C@@H](NC1CC(c2cccc(Cl)c2)C1)[C@@H]1CCCO1 ZINC000775574379 628110118 /nfs/dbraw/zinc/11/01/18/628110118.db2.gz PJJQYCRVCJSFIY-BNICSPFPSA-N 0 3 289.806 3.356 20 30 CGEDHN C#C[C@H](NCc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000775793975 628137260 /nfs/dbraw/zinc/13/72/60/628137260.db2.gz XTZBUIHYRUHRKP-ROUUACIJSA-N 0 3 265.356 3.110 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC1CCC1 ZINC000778165520 628330218 /nfs/dbraw/zinc/33/02/18/628330218.db2.gz QHTSZRAPBHSBDL-UHFFFAOYSA-N 0 3 263.768 3.242 20 30 CGEDHN COc1ccc2c(c1)nccc2NCc1ccc(C#N)cn1 ZINC000780611624 628504741 /nfs/dbraw/zinc/50/47/41/628504741.db2.gz RKULWRMNWXJFHN-UHFFFAOYSA-N 0 3 290.326 3.122 20 30 CGEDHN CCc1cnccc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000783016031 628672974 /nfs/dbraw/zinc/67/29/74/628672974.db2.gz GRNVMCDXHBIUTJ-CQSZACIVSA-N 0 3 295.386 3.397 20 30 CGEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cn2)c2c1c(F)ccc2O ZINC000783293860 628699395 /nfs/dbraw/zinc/69/93/95/628699395.db2.gz JWYXPSXAOMZZSA-YGRLFVJLSA-N 0 3 297.333 3.136 20 30 CGEDHN N#CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000784621821 628825653 /nfs/dbraw/zinc/82/56/53/628825653.db2.gz PCNACJSXIJMXSL-UHFFFAOYSA-N 0 3 266.344 3.453 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000785617671 628875204 /nfs/dbraw/zinc/87/52/04/628875204.db2.gz SGNMVWXVPRBNOQ-INIZCTEOSA-N 0 3 264.328 3.041 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H](C)Cc2ccccc2)n1 ZINC000789759646 629165909 /nfs/dbraw/zinc/16/59/09/629165909.db2.gz YPPXWDBJRUAYKY-QGZVFWFLSA-N 0 3 295.430 3.217 20 30 CGEDHN C=CC[C@H]1CCN(Cc2c(Cl)n(C)nc2CC)C1 ZINC000862441152 629373413 /nfs/dbraw/zinc/37/34/13/629373413.db2.gz OZPWZICSBWZVBW-NSHDSACASA-N 0 3 267.804 3.034 20 30 CGEDHN C=C(CN[C@H](C)c1cc(C)nn1C)c1ccccc1 ZINC000793526293 629475959 /nfs/dbraw/zinc/47/59/59/629475959.db2.gz LXFKNTJZIRINNP-CQSZACIVSA-N 0 3 255.365 3.093 20 30 CGEDHN CC[NH+](CC)[C@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000794832750 629583878 /nfs/dbraw/zinc/58/38/78/629583878.db2.gz KORKAPCBWRZEIG-HPUUJOOBSA-N 0 3 268.788 3.195 20 30 CGEDHN N#Cc1cc([O-])ccc1-c1cccc(C[C@H]2CC[NH2+]C2)c1 ZINC000863723249 629660860 /nfs/dbraw/zinc/66/08/60/629660860.db2.gz UUGLEYVOWGJGRR-CQSZACIVSA-N 0 3 278.355 3.083 20 30 CGEDHN C=CCN(CCOC)[C@@H]1CCc2cc(Cl)ccc21 ZINC000796031153 629738065 /nfs/dbraw/zinc/73/80/65/629738065.db2.gz DHPJVZKOEAPNBW-OAHLLOKOSA-N 0 3 265.784 3.462 20 30 CGEDHN CCCCCCCCN1CCO[C@@]2(CCCOC2)C1 ZINC000796077547 629743336 /nfs/dbraw/zinc/74/33/36/629743336.db2.gz QINBZIZCBIZKHZ-INIZCTEOSA-N 0 3 269.429 3.228 20 30 CGEDHN C#C[C@H](N[C@H](CC)c1cccc(C)c1)[C@@H]1CCCO1 ZINC000796948343 629863919 /nfs/dbraw/zinc/86/39/19/629863919.db2.gz KODINKFMFNXPSG-IKGGRYGDSA-N 0 3 257.377 3.217 20 30 CGEDHN C=CCC(F)(F)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000839827751 629961358 /nfs/dbraw/zinc/96/13/58/629961358.db2.gz WPSJVTFTRNLPSE-UHFFFAOYSA-N 0 3 286.297 3.037 20 30 CGEDHN Cc1ccc(CNCc2cc(C#N)ccc2N(C)C)s1 ZINC000865415850 630111059 /nfs/dbraw/zinc/11/10/59/630111059.db2.gz QXGYVUGZAWMNKQ-UHFFFAOYSA-N 0 3 285.416 3.284 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1C ZINC000799335629 630169281 /nfs/dbraw/zinc/16/92/81/630169281.db2.gz ALCUCJPAFWGZHV-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000800384675 630270555 /nfs/dbraw/zinc/27/05/55/630270555.db2.gz HXXDQQPFDYRPGE-TZMCWYRMSA-N 0 3 272.348 3.160 20 30 CGEDHN C[C@H](C#N)OCCN(C)Cc1csc2ccccc12 ZINC000801914518 630365306 /nfs/dbraw/zinc/36/53/06/630365306.db2.gz JMPOFZRWJKNEII-GFCCVEGCSA-N 0 3 274.389 3.262 20 30 CGEDHN C[C@@H](C#N)OCCN1CCCCC[C@H]1c1ccco1 ZINC000801922134 630366920 /nfs/dbraw/zinc/36/69/20/630366920.db2.gz GFBYUJANBSBWJQ-KBPBESRZSA-N 0 3 262.353 3.125 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H](C)C(C)(C)C)n1 ZINC000802651579 630402292 /nfs/dbraw/zinc/40/22/92/630402292.db2.gz RBHKHURMYSMROR-CQSZACIVSA-N 0 3 261.413 3.020 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(OCCC)c1)C(C)C ZINC000809685204 630780444 /nfs/dbraw/zinc/78/04/44/630780444.db2.gz FYYFHEQAWONETM-HNNXBMFYSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@H](NCc1ccc(N(C)C(C)C)nc1)C(C)(C)C ZINC000809780956 630805110 /nfs/dbraw/zinc/80/51/10/630805110.db2.gz BNLMNGZOCMAHOW-HNNXBMFYSA-N 0 3 273.424 3.064 20 30 CGEDHN C#Cc1ccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811510576 631079044 /nfs/dbraw/zinc/07/90/44/631079044.db2.gz KHIPRXVZDBINNP-SJORKVTESA-N 0 3 269.388 3.057 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC1CC(F)(F)C1 ZINC000813780465 631460084 /nfs/dbraw/zinc/46/00/84/631460084.db2.gz BZCXRCVZWJRPSQ-UHFFFAOYSA-N 0 3 299.748 3.487 20 30 CGEDHN CCC(CC)NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814851866 631655844 /nfs/dbraw/zinc/65/58/44/631655844.db2.gz ZBEZBNBQVBKJDC-LLVKDONJSA-N 0 3 257.381 3.472 20 30 CGEDHN CS[C@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000866488479 633158212 /nfs/dbraw/zinc/15/82/12/633158212.db2.gz OPDJRXWKCCGSTK-YUSALJHKSA-N 0 3 264.369 3.242 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000876561848 634857683 /nfs/dbraw/zinc/85/76/83/634857683.db2.gz UWLLBKBEEGECPF-KGLIPLIRSA-N 0 3 280.799 3.114 20 30 CGEDHN C#C[C@H](NCc1cncc(Br)c1C)C(C)(C)C ZINC000825940090 633389857 /nfs/dbraw/zinc/38/98/57/633389857.db2.gz LPZVNBNLVRAAOQ-ZDUSSCGKSA-N 0 3 295.224 3.290 20 30 CGEDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC000826862024 633437837 /nfs/dbraw/zinc/43/78/37/633437837.db2.gz RFZGWCBRHPBRCT-GFCCVEGCSA-N 0 3 278.783 3.480 20 30 CGEDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC000826862024 633437838 /nfs/dbraw/zinc/43/78/38/633437838.db2.gz RFZGWCBRHPBRCT-GFCCVEGCSA-N 0 3 278.783 3.480 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(SC(F)(F)F)cc1 ZINC000123084866 633571955 /nfs/dbraw/zinc/57/19/55/633571955.db2.gz RRUAMNGQSCFTIE-SECBINFHSA-N 0 3 259.296 3.410 20 30 CGEDHN C#CC1CCN(Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000830311487 633848109 /nfs/dbraw/zinc/84/81/09/633848109.db2.gz NLNOGTMUWDTXGO-UHFFFAOYSA-N 0 3 295.329 3.142 20 30 CGEDHN C#CC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000830305834 633848159 /nfs/dbraw/zinc/84/81/59/633848159.db2.gz WGDRDEPXBPLDOX-LBPRGKRZSA-N 0 3 258.321 3.001 20 30 CGEDHN C=C(C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074448 633997264 /nfs/dbraw/zinc/99/72/64/633997264.db2.gz DWTFTSIXCHRAFV-SNVBAGLBSA-N 0 3 252.289 3.351 20 30 CGEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cc(O)ccc1F ZINC000872090816 634015726 /nfs/dbraw/zinc/01/57/26/634015726.db2.gz DPDAOMXNAPFNIM-XHDPSFHLSA-N 0 3 296.345 3.221 20 30 CGEDHN C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc([O-])c1F ZINC000872094192 634019234 /nfs/dbraw/zinc/01/92/34/634019234.db2.gz ZRGXNSVBIKRRGB-XHDPSFHLSA-N 0 3 296.345 3.221 20 30 CGEDHN COc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1C#N ZINC000834688628 634219584 /nfs/dbraw/zinc/21/95/84/634219584.db2.gz BTOBWUFBQLOJFJ-OAHLLOKOSA-N 0 3 294.354 3.050 20 30 CGEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CCCS1 ZINC000873150501 634258297 /nfs/dbraw/zinc/25/82/97/634258297.db2.gz LEDYICQUHPYFEQ-LBPRGKRZSA-N 0 3 264.369 3.073 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000834889073 634268614 /nfs/dbraw/zinc/26/86/14/634268614.db2.gz SHYYBDMKWNIFKK-FMKPAKJESA-N 0 3 261.365 3.085 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834889668 634269687 /nfs/dbraw/zinc/26/96/87/634269687.db2.gz WFOWQOLNIOAXDX-TWJQMWNJSA-N 0 3 277.339 3.013 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2ncc(Cl)s2)CC1 ZINC000873198255 634283281 /nfs/dbraw/zinc/28/32/81/634283281.db2.gz BKHADTULQLCXBH-MGCOHNPYSA-N 0 3 254.786 3.078 20 30 CGEDHN C#CCN[C@@H](CC)c1ccc(Br)cc1 ZINC000019875578 634326092 /nfs/dbraw/zinc/32/60/92/634326092.db2.gz BGYNBFSVAFTIHL-LBPRGKRZSA-N 0 3 252.155 3.123 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(F)F)c1 ZINC000876639392 634873691 /nfs/dbraw/zinc/87/36/91/634873691.db2.gz OVOVOFAGVIGLRG-JTQLQIEISA-N 0 3 274.698 3.033 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(SCC)c1 ZINC000876664222 634877961 /nfs/dbraw/zinc/87/79/61/634877961.db2.gz QBDOXAJKODDMOR-LBPRGKRZSA-N 0 3 284.812 3.207 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)C#CC(C)(C)C ZINC000837453882 634912020 /nfs/dbraw/zinc/91/20/20/634912020.db2.gz IVOARSJVSPGNAL-UHFFFAOYSA-N 0 3 272.392 3.045 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000876970394 634940951 /nfs/dbraw/zinc/94/09/51/634940951.db2.gz QIROLPDVQQZWQN-HNNXBMFYSA-N 0 3 290.794 3.445 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC2(Cc3ccccc3)CC2)c1 ZINC000877408896 635037744 /nfs/dbraw/zinc/03/77/44/635037744.db2.gz UNZJNCZJQPEERS-UHFFFAOYSA-N 0 3 297.789 3.472 20 30 CGEDHN Cc1ccc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000877703916 635156039 /nfs/dbraw/zinc/15/60/39/635156039.db2.gz GIWRIPKQZRXSEH-UHFFFAOYSA-N 0 3 254.333 3.134 20 30 CGEDHN C[C@@H]1CN(CC(C)(C)CCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000877825184 635228914 /nfs/dbraw/zinc/22/89/14/635228914.db2.gz XYAVHQBGEPASEJ-NEPJUHHUSA-N 0 3 292.345 3.358 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CCC[C@H](C)C1)c1ccccc1 ZINC000877935547 635278869 /nfs/dbraw/zinc/27/88/69/635278869.db2.gz TYRJGGPRNGFPSN-MAUKXSAKSA-N 0 3 284.403 3.159 20 30 CGEDHN C#C[C@@H](OC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000842328721 635330530 /nfs/dbraw/zinc/33/05/30/635330530.db2.gz PQACMZICIJQNKN-GOSISDBHSA-N 0 3 297.398 3.241 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1nc(C2CC2)cs1)C(C)(F)F ZINC000842941626 635521669 /nfs/dbraw/zinc/52/16/69/635521669.db2.gz BWLZABYJFSNPBF-IONNQARKSA-N 0 3 284.331 3.488 20 30 CGEDHN C#CCCCCCN[C@@H](C)c1c(F)cncc1F ZINC000878613274 635569591 /nfs/dbraw/zinc/56/95/91/635569591.db2.gz JRUVSFAEEKSDRH-NSHDSACASA-N 0 3 252.308 3.204 20 30 CGEDHN C#CC1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000843426807 635671230 /nfs/dbraw/zinc/67/12/30/635671230.db2.gz KRAQULTXAWCUDF-UHFFFAOYSA-N 0 3 285.435 3.313 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000879064297 635693301 /nfs/dbraw/zinc/69/33/01/635693301.db2.gz BHSVRAJSCXAAGQ-VDZJLULYSA-N 0 3 296.414 3.068 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879995410 635892991 /nfs/dbraw/zinc/89/29/91/635892991.db2.gz DTJRGOVDUGPRQG-HNNXBMFYSA-N 0 3 276.355 3.219 20 30 CGEDHN C#CCC1(O)CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000880477534 636008405 /nfs/dbraw/zinc/00/84/05/636008405.db2.gz JQZDQXQQALGKRD-CYBMUJFWSA-N 0 3 277.795 3.251 20 30 CGEDHN Cc1ccc(NC[C@H](c2ccsc2)N(C)C)c(C#N)n1 ZINC000881794774 636200558 /nfs/dbraw/zinc/20/05/58/636200558.db2.gz MZTCMYBMVNFFDT-OAHLLOKOSA-N 0 3 286.404 3.038 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000847026579 636317722 /nfs/dbraw/zinc/31/77/22/636317722.db2.gz QBQHCYIGQJAWGK-CQSZACIVSA-N 0 3 250.345 3.080 20 30 CGEDHN C=CCC[C@H](NCc1cn2cc(C)ccc2n1)[C@H]1CCCO1 ZINC000883186381 636572315 /nfs/dbraw/zinc/57/23/15/636572315.db2.gz QUADDQIFSXTNCB-DLBZAZTESA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@H](NCc1cn2ccc(C)cc2n1)[C@@H]1CCCO1 ZINC000883185933 636572514 /nfs/dbraw/zinc/57/25/14/636572514.db2.gz HJBDOFLJJPBADU-IRXDYDNUSA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000883200208 636580773 /nfs/dbraw/zinc/58/07/73/636580773.db2.gz CXCICPHRXHPGQL-HOCLYGCPSA-N 0 3 290.363 3.198 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](CC)c1sccc1Cl ZINC000883215836 636589493 /nfs/dbraw/zinc/58/94/93/636589493.db2.gz GYKYOZBAOPOEKR-GXSJLCMTSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CCC[C@H](NCc1c(C)onc1CC)[C@H]1CCCO1 ZINC000883224052 636596452 /nfs/dbraw/zinc/59/64/52/636596452.db2.gz DLWINBWGKSPOLD-JKSUJKDBSA-N 0 3 278.396 3.149 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000883392488 636737098 /nfs/dbraw/zinc/73/70/98/636737098.db2.gz IQJYFOCTJKQGHY-PWSUYJOCSA-N 0 3 285.309 3.008 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1csc(C(F)(F)F)c1 ZINC000883399050 636740273 /nfs/dbraw/zinc/74/02/73/636740273.db2.gz BUXYWDNUEMBYGY-JTQLQIEISA-N 0 3 279.327 3.184 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000883400530 636740930 /nfs/dbraw/zinc/74/09/30/636740930.db2.gz PBICHMWYASKZPG-AWEZNQCLSA-N 0 3 287.359 3.489 20 30 CGEDHN C#CCCCN[C@@H](C)c1ncc(Br)cc1F ZINC000187260232 636767293 /nfs/dbraw/zinc/76/72/93/636767293.db2.gz KGFKISCUBOMQGO-VIFPVBQESA-N 0 3 285.160 3.047 20 30 CGEDHN C=CCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000850354416 637023534 /nfs/dbraw/zinc/02/35/34/637023534.db2.gz GWDVDRZLIJZIMM-UHFFFAOYSA-N 0 3 275.783 3.251 20 30 CGEDHN C=C(Cl)COc1ccc([C@@H](C)NC/C=C/CO)cc1 ZINC000850510704 637096251 /nfs/dbraw/zinc/09/62/51/637096251.db2.gz ZMJOVSDRFJIQSW-ITDFMYJTSA-N 0 3 281.783 3.017 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cccc(O)c32)CCCCC1 ZINC000850548787 637118180 /nfs/dbraw/zinc/11/81/80/637118180.db2.gz ACMNIXIROFMPOS-AWEZNQCLSA-N 0 3 270.376 3.443 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850739157 637136635 /nfs/dbraw/zinc/13/66/35/637136635.db2.gz SWTCXTXLMHORIX-RYUDHWBXSA-N 0 3 281.359 3.186 20 30 CGEDHN N#CC[C@@H]1CCCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000852320737 637634777 /nfs/dbraw/zinc/63/47/77/637634777.db2.gz OGGBAXOMEVPHIV-QWRGUYRKSA-N 0 3 261.196 3.196 20 30 CGEDHN C#CCCCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925161916 638465820 /nfs/dbraw/zinc/46/58/20/638465820.db2.gz ROUUGVPNGOQTTE-SFHVURJKSA-N 0 3 264.372 3.482 20 30 CGEDHN N#CCC[C@H](Nc1ccnc(CO)c1)c1ccccc1 ZINC000858455076 638723927 /nfs/dbraw/zinc/72/39/27/638723927.db2.gz QOFAHILETCSIQE-INIZCTEOSA-N 0 3 267.332 3.031 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926866553 638819247 /nfs/dbraw/zinc/81/92/47/638819247.db2.gz XYQGYGPLLOXMKC-BXUZGUMPSA-N 0 3 280.799 3.029 20 30 CGEDHN C=C1CCC(C[NH2+][C@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000926926234 638826508 /nfs/dbraw/zinc/82/65/08/638826508.db2.gz UOYPCJGLXUSUFA-INIZCTEOSA-N 0 3 282.391 3.230 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCc2cccnc21 ZINC000927061138 638836397 /nfs/dbraw/zinc/83/63/97/638836397.db2.gz BTKAFXASVGOOBK-GXTWGEPZSA-N 0 3 257.381 3.377 20 30 CGEDHN C[C@@H]1CCN(Cc2cncc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000929259531 638912617 /nfs/dbraw/zinc/91/26/17/638912617.db2.gz GAAMXJDOVGLWTO-COXVUDFISA-N 0 3 269.392 3.354 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000929290185 638915964 /nfs/dbraw/zinc/91/59/64/638915964.db2.gz WGMWXEQLMBLLGC-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cc(C)nnc1C ZINC000929361115 638921135 /nfs/dbraw/zinc/92/11/35/638921135.db2.gz DCNGGICTRRHBCK-UHFFFAOYSA-N 0 3 281.403 3.324 20 30 CGEDHN Cc1ccccc1[C@@H]1CCN(Cc2cncc(C#N)c2)C1 ZINC000929457920 638926641 /nfs/dbraw/zinc/92/66/41/638926641.db2.gz LJYBPBRBWDXKKV-QGZVFWFLSA-N 0 3 277.371 3.251 20 30 CGEDHN CC[C@H]1CN(CCCCC2(C#N)CCC2)C[C@@H](C)O1 ZINC000929618465 638935008 /nfs/dbraw/zinc/93/50/08/638935008.db2.gz AHVTWEIMBPPRLA-CABCVRRESA-N 0 3 264.413 3.350 20 30 CGEDHN CCS[C@H]1CC[C@@H](N(C)Cc2cncc(C#N)c2)C1 ZINC000929751354 638947280 /nfs/dbraw/zinc/94/72/80/638947280.db2.gz TVHOJXKUYYHHHV-CABCVRRESA-N 0 3 275.421 3.059 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCc3ccns3)CC2)cc1 ZINC000930159095 638978234 /nfs/dbraw/zinc/97/82/34/638978234.db2.gz SASVTRBFBNHTJO-UHFFFAOYSA-N 0 3 295.411 3.347 20 30 CGEDHN COc1ccc([C@@H](NCc2cncc(C#N)c2)C2CC2)cc1 ZINC000930238785 638985135 /nfs/dbraw/zinc/98/51/35/638985135.db2.gz HSORGIVFCTZNIH-SFHVURJKSA-N 0 3 293.370 3.203 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1C[C@H]1CC ZINC000930456306 639002864 /nfs/dbraw/zinc/00/28/64/639002864.db2.gz RYGLKDZNFHOMHS-KGLIPLIRSA-N 0 3 263.381 3.196 20 30 CGEDHN N#Cc1sc(NC[C@H]2CCN2C2CCCC2)nc1Cl ZINC000858781999 639021376 /nfs/dbraw/zinc/02/13/76/639021376.db2.gz ZACPVLLLEBSVRJ-SNVBAGLBSA-N 0 3 296.827 3.097 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931920598 639230304 /nfs/dbraw/zinc/23/03/04/639230304.db2.gz YUWNSXSTQVAVCD-CYBMUJFWSA-N 0 3 298.283 3.425 20 30 CGEDHN C#CCC1(NCc2ccc(C#N)cc2Cl)CCC1 ZINC000933294752 639435510 /nfs/dbraw/zinc/43/55/10/639435510.db2.gz NKDUCTGOEZDANW-UHFFFAOYSA-N 0 3 258.752 3.247 20 30 CGEDHN N#CCOc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000934694152 639657756 /nfs/dbraw/zinc/65/77/56/639657756.db2.gz XQVQAPMBWLMLRG-SFHVURJKSA-N 0 3 293.370 3.225 20 30 CGEDHN N#Cc1cc(CN[C@H](c2ccncc2)C2CC2)ccc1F ZINC000934690655 639658817 /nfs/dbraw/zinc/65/88/17/639658817.db2.gz BPGPNHCDOHMXDT-KRWDZBQOSA-N 0 3 281.334 3.333 20 30 CGEDHN C#CCN(C)[C@@H](C)c1cccc(Br)c1 ZINC000194972300 640561084 /nfs/dbraw/zinc/56/10/84/640561084.db2.gz ZXQOXOLVBUDDNA-JTQLQIEISA-N 0 3 252.155 3.075 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000245754761 640636271 /nfs/dbraw/zinc/63/62/71/640636271.db2.gz OKJFBSMWZHLLFH-RDBSUJKOSA-N 0 3 290.432 3.303 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009099647 640956656 /nfs/dbraw/zinc/95/66/56/640956656.db2.gz YMITZTZGRCZZQB-HNNXBMFYSA-N 0 3 296.430 3.206 20 30 CGEDHN CCN(CCC#N)c1ccc([C@H]2CCCCN2CC)cn1 ZINC001165048619 721987672 /nfs/dbraw/zinc/98/76/72/721987672.db2.gz NXZBZNGACRPBPS-MRXNPFEDSA-N 0 3 286.423 3.368 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001155438727 805581728 /nfs/dbraw/zinc/58/17/28/805581728.db2.gz GVSUSMFGJJECJQ-HZPDHXFCSA-N 0 3 294.483 3.299 20 30 CGEDHN CN(Cc1ccc(N[C@H]2CC[C@H](C#N)CC2)nc1)C1CC1 ZINC001157054929 805770593 /nfs/dbraw/zinc/77/05/93/805770593.db2.gz CTFQMQLULVXAGT-CTYIDZIISA-N 0 3 284.407 3.170 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC001157464968 805817406 /nfs/dbraw/zinc/81/74/06/805817406.db2.gz PBKAOEGTPKTIMX-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1=CCCCCC1 ZINC001157871717 805890689 /nfs/dbraw/zinc/89/06/89/805890689.db2.gz NPIVAHDUNYTOQY-QGZVFWFLSA-N 0 3 290.451 3.376 20 30 CGEDHN Cc1ccnc(N(C2CCCC2)C2CCN(C)CC2)c1C#N ZINC001158485706 805959667 /nfs/dbraw/zinc/95/96/67/805959667.db2.gz QBVWAJZTHGOHFQ-UHFFFAOYSA-N 0 3 298.434 3.105 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CCCC1 ZINC001158744484 805995509 /nfs/dbraw/zinc/99/55/09/805995509.db2.gz LHVMEABNWRRHKT-DOTOQJQBSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCC[C@H](O)CNC(C)(C)C(C)=O ZINC001252131199 806017863 /nfs/dbraw/zinc/01/78/63/806017863.db2.gz IVXBLZHQBVDCGP-AWEZNQCLSA-N 0 3 257.418 3.055 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cncc(C#N)c1 ZINC001252138765 806024193 /nfs/dbraw/zinc/02/41/93/806024193.db2.gz DFEDSBPOAXIKIP-QGZVFWFLSA-N 0 3 289.423 3.154 20 30 CGEDHN C=CCOC[C@@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC001252465463 806048945 /nfs/dbraw/zinc/04/89/45/806048945.db2.gz GXTVJXVFHWJGKN-XJKSGUPXSA-N 0 3 295.810 3.040 20 30 CGEDHN N#Cc1c2c(sc1N=C1CCCCC1)CNCC2 ZINC001159159722 806053610 /nfs/dbraw/zinc/05/36/10/806053610.db2.gz PCEYSGMRIOXSCF-UHFFFAOYSA-N 0 3 259.378 3.135 20 30 CGEDHN C=C[C@@](C)(O)CN[C@H](C)c1cccc(F)c1Cl ZINC001252584808 806075286 /nfs/dbraw/zinc/07/52/86/806075286.db2.gz GDWLRICFPUDIGC-NOZJJQNGSA-N 0 3 257.736 3.067 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H]1CCOc2ccc(Cl)cc21 ZINC001252624368 806093089 /nfs/dbraw/zinc/09/30/89/806093089.db2.gz DDUHUMLXGHNQEY-TZMCWYRMSA-N 0 3 281.783 3.080 20 30 CGEDHN CCCCCCCCCC[C@H](O)CN1CCN(C)CC1 ZINC001252978703 806144402 /nfs/dbraw/zinc/14/44/02/806144402.db2.gz DEPWMCKZNNMBMZ-KRWDZBQOSA-N 0 3 284.488 3.126 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001160221642 806237391 /nfs/dbraw/zinc/23/73/91/806237391.db2.gz ICZZQSFRXHZOIW-WBVHZDCISA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1ccc(Cl)c(C)n1 ZINC001160952902 806327189 /nfs/dbraw/zinc/32/71/89/806327189.db2.gz HSVWQSRCROANQH-LBPRGKRZSA-N 0 3 265.788 3.106 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001160979455 806333399 /nfs/dbraw/zinc/33/33/99/806333399.db2.gz SMJXRMRKJCCNSI-HIFRSBDPSA-N 0 3 286.847 3.051 20 30 CGEDHN COc1ccccc1C(C)(C)N[C@@H]1CC[C@H](C#N)C1 ZINC001254649764 806472697 /nfs/dbraw/zinc/47/26/97/806472697.db2.gz QOUGXLGTQQVDAQ-QWHCGFSZSA-N 0 3 258.365 3.212 20 30 CGEDHN Cc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)C2CC2)nc1 ZINC001254656387 806476575 /nfs/dbraw/zinc/47/65/75/806476575.db2.gz JMBKFCLZTBICAZ-XNRPHZJLSA-N 0 3 255.365 3.123 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCSc3ccccc3C2)C1 ZINC001254674413 806483664 /nfs/dbraw/zinc/48/36/64/806483664.db2.gz YTOURUFFIYHUAV-OCCSQVGLSA-N 0 3 258.390 3.287 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001255152521 806555609 /nfs/dbraw/zinc/55/56/09/806555609.db2.gz VXUZWVLUKQYUKX-MELADBBJSA-N 0 3 295.427 3.104 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccccc2)CC1 ZINC001255162812 806561075 /nfs/dbraw/zinc/56/10/75/806561075.db2.gz ZJNQCDRDWIJZAC-ULQDDVLXSA-N 0 3 299.418 3.009 20 30 CGEDHN CC[C@@H](CC#N)NCC1(Cc2ccccc2F)CC1 ZINC001255162173 806561868 /nfs/dbraw/zinc/56/18/68/806561868.db2.gz JIEVQDNWXAVYGV-AWEZNQCLSA-N 0 3 260.356 3.430 20 30 CGEDHN COc1nc(NCCP(C(C)C)C(C)C)ncc1C#N ZINC001162357561 806564049 /nfs/dbraw/zinc/56/40/49/806564049.db2.gz BJFSSYNULAREBX-UHFFFAOYSA-N 0 3 294.339 3.067 20 30 CGEDHN CC(C)C[C@](C)(C#N)Nc1ccc(CN2CCCC2)cn1 ZINC001162519534 806606361 /nfs/dbraw/zinc/60/63/61/806606361.db2.gz HKQUWVMKOMCXGL-QGZVFWFLSA-N 0 3 286.423 3.418 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1C=CCC1 ZINC000122212339 798991024 /nfs/dbraw/zinc/99/10/24/798991024.db2.gz QAQBPCSNMQKBTI-CHWSQXEVSA-N 0 3 279.343 3.106 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1 ZINC000128617842 799019736 /nfs/dbraw/zinc/01/97/36/799019736.db2.gz UNPNXHZWDOEGAX-HNNXBMFYSA-N 0 3 286.375 3.333 20 30 CGEDHN N#CC(C(=O)C1CCC(F)(F)CC1)c1ccccn1 ZINC000160980412 799078232 /nfs/dbraw/zinc/07/82/32/799078232.db2.gz KPNPMKZORNAUPR-NSHDSACASA-N 0 3 264.275 3.083 20 30 CGEDHN N#CCc1c(F)cccc1N[C@@H]1CNCc2ccsc21 ZINC001163239972 806731482 /nfs/dbraw/zinc/73/14/82/806731482.db2.gz TWTOTXJDBFTIRE-CQSZACIVSA-N 0 3 287.363 3.210 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc([N+](=O)[O-])cc1 ZINC000695837683 799835738 /nfs/dbraw/zinc/83/57/38/799835738.db2.gz SPZAVSNWEBMASY-NSHDSACASA-N 0 3 261.325 3.013 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCCC2(CC2)C1)c1ccccn1 ZINC000695929227 799836759 /nfs/dbraw/zinc/83/67/59/799836759.db2.gz DHJOYSDILYFGBO-CHWSQXEVSA-N 0 3 254.333 3.228 20 30 CGEDHN C=CC(C)(C)CCNCc1c(Cl)c(C)nn1C ZINC000701849819 799896441 /nfs/dbraw/zinc/89/64/41/799896441.db2.gz YCFGCRKFYKRQCU-UHFFFAOYSA-N 0 3 255.793 3.074 20 30 CGEDHN C=CCN(CC=C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255913847 806789072 /nfs/dbraw/zinc/78/90/72/806789072.db2.gz FCKPKVPZCDKORE-CQSZACIVSA-N 0 3 280.412 3.060 20 30 CGEDHN C=CCCC(C)(C)CNCc1ncc(Cl)n1C ZINC000704038592 799934657 /nfs/dbraw/zinc/93/46/57/799934657.db2.gz GTABWQYRPOPXNU-UHFFFAOYSA-N 0 3 255.793 3.156 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](c3nccs3)C2)c1 ZINC000710358425 800033704 /nfs/dbraw/zinc/03/37/04/800033704.db2.gz FCEKTBXNILUJEI-AWEZNQCLSA-N 0 3 269.373 3.004 20 30 CGEDHN C#CC[C@@H](COC)NCc1ccc(Cl)c(Cl)c1 ZINC000716856500 800182413 /nfs/dbraw/zinc/18/24/13/800182413.db2.gz MICMVYJJTQBJBT-NSHDSACASA-N 0 3 272.175 3.121 20 30 CGEDHN C[C@H]1Cc2cc(CN3CCC[C@@H](CC#N)C3)ccc2O1 ZINC000720829709 800268302 /nfs/dbraw/zinc/26/83/02/800268302.db2.gz QXUUXHFVKRJOAK-KBPBESRZSA-N 0 3 270.376 3.136 20 30 CGEDHN N#Cc1cccc(OCCN[C@@H](c2ccccn2)C2CC2)c1 ZINC000932381995 800662005 /nfs/dbraw/zinc/66/20/05/800662005.db2.gz PGHWMFFUQNNLEQ-GOSISDBHSA-N 0 3 293.370 3.073 20 30 CGEDHN CN(CCN(C)Cc1ccccc1)Cc1cc(C#N)cs1 ZINC000933770910 800675855 /nfs/dbraw/zinc/67/58/55/800675855.db2.gz ANRAKOCVDFYLNF-UHFFFAOYSA-N 0 3 299.443 3.184 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001006209707 800699224 /nfs/dbraw/zinc/69/92/24/800699224.db2.gz DQZXUMCHUPQKQN-WMZOPIPTSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024641240 800733131 /nfs/dbraw/zinc/73/31/31/800733131.db2.gz IBHIZGPNZLEGPM-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001024635972 800733287 /nfs/dbraw/zinc/73/32/87/800733287.db2.gz MEYCOZMOCBDDGK-JFIYKMOQSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001028112793 800831146 /nfs/dbraw/zinc/83/11/46/800831146.db2.gz FEFIFTAFCBZPIA-AWEZNQCLSA-N 0 3 292.810 3.029 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccsc1Cl ZINC001028180568 800834967 /nfs/dbraw/zinc/83/49/67/800834967.db2.gz CASLMQAFYIVVJH-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032557378 800928868 /nfs/dbraw/zinc/92/88/68/800928868.db2.gz HWXFPNJIVCQNHP-GJZGRUSLSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC ZINC001032591698 800932279 /nfs/dbraw/zinc/93/22/79/800932279.db2.gz MVJPPLZXCYMMHG-IRXDYDNUSA-N 0 3 298.430 3.114 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001032742324 800934775 /nfs/dbraw/zinc/93/47/75/800934775.db2.gz KPZFKEKWPKJWTI-QAETUUGQSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1C ZINC001032753301 800935326 /nfs/dbraw/zinc/93/53/26/800935326.db2.gz NPQHPBIIHYIOQS-IRXDYDNUSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033383060 800963286 /nfs/dbraw/zinc/96/32/86/800963286.db2.gz GHWOIWSKSKGNHS-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033873505 800987579 /nfs/dbraw/zinc/98/75/79/800987579.db2.gz PKZXWAGGJKKYOA-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034518018 801029492 /nfs/dbraw/zinc/02/94/92/801029492.db2.gz FUEZMGUGUCXDCO-QGZVFWFLSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038525135 801126250 /nfs/dbraw/zinc/12/62/50/801126250.db2.gz BZULOYUMYLQOBZ-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001038852049 801133673 /nfs/dbraw/zinc/13/36/73/801133673.db2.gz WUNDYWROCGCOCX-ULQDDVLXSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(=C)C ZINC001039821284 801167186 /nfs/dbraw/zinc/16/71/86/801167186.db2.gz PYGXDMRGISRMDR-IYBDPMFKSA-N 0 3 290.451 3.230 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC ZINC001039896645 801168538 /nfs/dbraw/zinc/16/85/38/801168538.db2.gz NZBDBBSUJVOPIV-JZXOWHBKSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)ccc2C)CC1 ZINC001045628573 801283155 /nfs/dbraw/zinc/28/31/55/801283155.db2.gz IHWRRWBLAYVWCE-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001046337675 801310349 /nfs/dbraw/zinc/31/03/49/801310349.db2.gz ATORBNSXZKSYAH-SJLPKXTDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)(C)C ZINC001049637516 801381000 /nfs/dbraw/zinc/38/10/00/801381000.db2.gz HIGOTKIDWMSHLP-HUUCEWRRSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1C ZINC001049878636 801390199 /nfs/dbraw/zinc/39/01/99/801390199.db2.gz YZQDRXAUINQHND-QZTJIDSGSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(C)c2)CC[C@@H]1C ZINC001071317239 801526131 /nfs/dbraw/zinc/52/61/31/801526131.db2.gz QCEBRVPGCXJKFK-DOTOQJQBSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCC=CCC2)CC[C@@H]1C ZINC001072079680 801562174 /nfs/dbraw/zinc/56/21/74/801562174.db2.gz QWZXORPHULDTLV-DOTOQJQBSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001080780885 801653736 /nfs/dbraw/zinc/65/37/36/801653736.db2.gz GGTQSINKARLIIO-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C)CC=CC1 ZINC001085320688 801681815 /nfs/dbraw/zinc/68/18/15/801681815.db2.gz LFXANCLPXYDRMS-ZIAGYGMSSA-N 0 3 296.842 3.112 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085775429 801704223 /nfs/dbraw/zinc/70/42/23/801704223.db2.gz VUGIEPPATYBKGD-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001086171538 801721836 /nfs/dbraw/zinc/72/18/36/801721836.db2.gz SOQDUYAOBGAFDZ-HZSPNIEDSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001086191655 801722636 /nfs/dbraw/zinc/72/26/36/801722636.db2.gz BVADFFGVJBWKDK-MCIONIFRSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2=CCCCCC2)C1 ZINC001086349565 801727332 /nfs/dbraw/zinc/72/73/32/801727332.db2.gz JHXHLUQNSNJDHO-CTYIDZIISA-N 0 3 296.842 3.114 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1CC ZINC001087837579 801768302 /nfs/dbraw/zinc/76/83/02/801768302.db2.gz RLGLUWGKRCOWMP-ZWKOTPCHSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1CC ZINC001087837278 801769006 /nfs/dbraw/zinc/76/90/06/801769006.db2.gz CGXUWVQGTIKDHB-LZLYRXPVSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1CC ZINC001087843019 801770126 /nfs/dbraw/zinc/77/01/26/801770126.db2.gz YZTMKNWZFPUAKQ-ZWKOTPCHSA-N 0 3 298.430 3.333 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1C ZINC001088751355 801806211 /nfs/dbraw/zinc/80/62/11/801806211.db2.gz LJJNFPZKTLEEHT-ZBFHGGJFSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCCC1)C2 ZINC001095223777 801879745 /nfs/dbraw/zinc/87/97/45/801879745.db2.gz XAEUPYPLUUVOBC-IKGGRYGDSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001098977069 801924666 /nfs/dbraw/zinc/92/46/66/801924666.db2.gz ZYAFGYHPJXHKPQ-KVPUOBJLSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(C)C2CCC2)C1 ZINC001100543776 801952264 /nfs/dbraw/zinc/95/22/64/801952264.db2.gz WIIRSPAAELKDIU-UHFFFAOYSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCCC1)C2 ZINC001111215213 802156315 /nfs/dbraw/zinc/15/63/15/802156315.db2.gz YVFZUUKMFKIYPF-OAGGEKHMSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCC(C)C)CC1 ZINC001113375636 802217462 /nfs/dbraw/zinc/21/74/62/802217462.db2.gz XFECCBFJXXTQEF-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN CC1(C)CN(CCC(=O)Nc2sccc2C#N)C1(C)C ZINC001116344673 802332069 /nfs/dbraw/zinc/33/20/69/802332069.db2.gz NJZNDNNEKLSVHB-UHFFFAOYSA-N 0 3 291.420 3.069 20 30 CGEDHN C[C@@H](CCCC#N)N[C@H](c1ccccc1)c1cccnn1 ZINC001172490346 808350447 /nfs/dbraw/zinc/35/04/47/808350447.db2.gz DVZAKPCACWHUAU-WMLDXEAASA-N 0 3 280.375 3.238 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2CCCCCC2)C1 ZINC001270942490 808755630 /nfs/dbraw/zinc/75/56/30/808755630.db2.gz YZLDVHIKEPFGDT-SFHVURJKSA-N 0 3 292.467 3.361 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001275411962 808935519 /nfs/dbraw/zinc/93/55/19/808935519.db2.gz DLHQWLUCJAGMTB-GHMZBOCLSA-N 0 3 293.238 3.145 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001275411965 808935627 /nfs/dbraw/zinc/93/56/27/808935627.db2.gz DLHQWLUCJAGMTB-QWRGUYRKSA-N 0 3 293.238 3.145 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1OC(C)(C)C ZINC001121882230 802849165 /nfs/dbraw/zinc/84/91/65/802849165.db2.gz WYBJNYOEDQDRPO-ZDUSSCGKSA-N 0 3 290.407 3.486 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC)c1ccc(F)cc1F ZINC001121961467 802853724 /nfs/dbraw/zinc/85/37/24/802853724.db2.gz JTIMEGWAUWMSEL-LSDHHAIUSA-N 0 3 296.361 3.216 20 30 CGEDHN C[C@@H]1CCC[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123383085 802939018 /nfs/dbraw/zinc/93/90/18/802939018.db2.gz ZBFOVIPPFJIPSE-CKYFFXLPSA-N 0 3 278.302 3.362 20 30 CGEDHN CC1(C)CC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123381129 802939121 /nfs/dbraw/zinc/93/91/21/802939121.db2.gz GHWGHHPJUCQCDP-GXSJLCMTSA-N 0 3 278.302 3.362 20 30 CGEDHN CN(C)Cc1cccc(-c2ccc(C#N)cc2Cl)n1 ZINC001244327563 803306750 /nfs/dbraw/zinc/30/67/50/803306750.db2.gz LOXZGLFZHLKYSG-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN C#CCCN1C[C@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132256357 803389210 /nfs/dbraw/zinc/38/92/10/803389210.db2.gz MQAASRRMUKNBFS-NVXWUHKLSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(C)C)CC[C@H]1C ZINC001132319052 803394572 /nfs/dbraw/zinc/39/45/72/803394572.db2.gz UBTFZBGFJJZMLY-CVEARBPZSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132332853 803395806 /nfs/dbraw/zinc/39/58/06/803395806.db2.gz XKBJYHNBJOGYJV-LSDHHAIUSA-N 0 3 278.440 3.134 20 30 CGEDHN CCc1cc(-c2cccc(CN(C)C)n2)ccc1C#N ZINC001244952801 803589966 /nfs/dbraw/zinc/58/99/66/803589966.db2.gz UOBZWVAYIXQTJC-UHFFFAOYSA-N 0 3 265.360 3.244 20 30 CGEDHN N#CCCc1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245424784 803733425 /nfs/dbraw/zinc/73/34/25/803733425.db2.gz NLXDGAIPVSCBOK-LJQANCHMSA-N 0 3 296.414 3.411 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCCC[C@H]2COC)c1[O-] ZINC001138625622 803982202 /nfs/dbraw/zinc/98/22/02/803982202.db2.gz QUSFNGNKRIORPV-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@H]2COC)c1[O-] ZINC001138625622 803982206 /nfs/dbraw/zinc/98/22/06/803982206.db2.gz QUSFNGNKRIORPV-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(OCC)CC2)c1[O-] ZINC001138629225 803984579 /nfs/dbraw/zinc/98/45/79/803984579.db2.gz RADUTLQHQNPUCO-UHFFFAOYSA-N 0 3 275.392 3.122 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC[C@@]2(CCO2)C1 ZINC001138665743 803996234 /nfs/dbraw/zinc/99/62/34/803996234.db2.gz WISFCRPVWACQJR-GOSISDBHSA-N 0 3 287.403 3.396 20 30 CGEDHN C=C(C)COc1ccccc1CN(CC)CCn1ccnc1 ZINC001138665614 803997825 /nfs/dbraw/zinc/99/78/25/803997825.db2.gz AJUXKDMJHWHUOE-UHFFFAOYSA-N 0 3 299.418 3.360 20 30 CGEDHN O=C1C=C2CN(Cc3cc(F)ccc3Cl)CCC2S1 ZINC001138672063 803998431 /nfs/dbraw/zinc/99/84/31/803998431.db2.gz PPMAXPYEQIIEPU-ZDUSSCGKSA-N 0 3 297.782 3.253 20 30 CGEDHN CC(C)c1nc(CN2CCC3SC(=O)C=C3C2)cs1 ZINC001138882899 804061814 /nfs/dbraw/zinc/06/18/14/804061814.db2.gz BFNLSLAUBAFASN-GFCCVEGCSA-N 0 3 294.445 3.041 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001139028420 804112165 /nfs/dbraw/zinc/11/21/65/804112165.db2.gz SZOVQWACNCEJKH-QILLFSRXSA-N 0 3 287.403 3.251 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(C)ccc2OCC)C1 ZINC001139604853 804223828 /nfs/dbraw/zinc/22/38/28/804223828.db2.gz OKKSKQFHFHZWGD-OAHLLOKOSA-N 0 3 257.377 3.239 20 30 CGEDHN CCCCCCCCCC[C@@H](C)N[C@@H]1CNCCC1=O ZINC001246287842 804261327 /nfs/dbraw/zinc/26/13/27/804261327.db2.gz GJYDXHFKFRFMNC-HZPDHXFCSA-N 0 3 282.472 3.426 20 30 CGEDHN C=CCn1cc(CN2CCC3(CCCC3)CC2)cn1 ZINC001139768244 804278620 /nfs/dbraw/zinc/27/86/20/804278620.db2.gz LCWHFZXGPSOWHB-UHFFFAOYSA-N 0 3 259.397 3.225 20 30 CGEDHN O=C1C=C2CN(Cc3ccccc3C3CC3)CCC2S1 ZINC001139881714 804311979 /nfs/dbraw/zinc/31/19/79/804311979.db2.gz VZJHQXWHFYJOOA-INIZCTEOSA-N 0 3 285.412 3.338 20 30 CGEDHN COCC[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC001140137771 804386337 /nfs/dbraw/zinc/38/63/37/804386337.db2.gz YHQANYXTCIPNTO-OAHLLOKOSA-N 0 3 276.355 3.088 20 30 CGEDHN N#CC1CCC(n2nc(-c3ccccc3)cc2CN)CC1 ZINC001256954037 807014988 /nfs/dbraw/zinc/01/49/88/807014988.db2.gz WJGUURHIFADLAX-UHFFFAOYSA-N 0 3 280.375 3.264 20 30 CGEDHN N#Cc1c(N)sc(CN2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC001141108600 804591910 /nfs/dbraw/zinc/59/19/10/804591910.db2.gz BCPWLQDCJXBHBI-RKDXNWHRSA-N 0 3 281.812 3.087 20 30 CGEDHN CCCN(Cc1sc(N)c(C#N)c1Cl)CC1CC1 ZINC001141108778 804592328 /nfs/dbraw/zinc/59/23/28/804592328.db2.gz HAQWFSBTDQJLEU-UHFFFAOYSA-N 0 3 283.828 3.477 20 30 CGEDHN CSc1nc(CN(C)CC(C)(C)C)ccc1C#N ZINC001141938739 804680692 /nfs/dbraw/zinc/68/06/92/804680692.db2.gz GXHHMUGBXICBOJ-UHFFFAOYSA-N 0 3 263.410 3.153 20 30 CGEDHN N#Cc1ccc2c(CN3CC4(CCC4)C3)c[nH]c2c1 ZINC001142915556 804782954 /nfs/dbraw/zinc/78/29/54/804782954.db2.gz CHCURTHXQDIWRV-UHFFFAOYSA-N 0 3 251.333 3.025 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CCC[C@H](CC#N)C1 ZINC001248751606 804984314 /nfs/dbraw/zinc/98/43/14/804984314.db2.gz CLGLQZFHXTVVNQ-CQSZACIVSA-N 0 3 267.376 3.246 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CCC)CC1 ZINC001144643773 805020487 /nfs/dbraw/zinc/02/04/87/805020487.db2.gz BAYIQEAJDSVBOH-ULQDDVLXSA-N 0 3 292.467 3.360 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2Cc2ccccn2)c1F ZINC001249685525 805212074 /nfs/dbraw/zinc/21/20/74/805212074.db2.gz LZEZUEABPYJVPE-QGZVFWFLSA-N 0 3 295.361 3.299 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](CCCC)C(C)C)C2)C1 ZINC001148851938 805213610 /nfs/dbraw/zinc/21/36/10/805213610.db2.gz WHCGGGGCNDDALI-INIZCTEOSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN(C)Cc1ccc(OC(F)(F)F)c(OC)c1 ZINC001249991860 805350260 /nfs/dbraw/zinc/35/02/60/805350260.db2.gz OEKZLLQWQQWTJI-UHFFFAOYSA-N 0 3 275.270 3.212 20 30 CGEDHN CCOC(=O)c1ccc(C[C@@H](C)N[C@@H](CC)CC#N)cc1 ZINC001257150831 807056573 /nfs/dbraw/zinc/05/65/73/807056573.db2.gz GYGAQVRXGPSUGB-CJNGLKHVSA-N 0 3 288.391 3.076 20 30 CGEDHN CCC[C@H](C)CC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001257485485 807180611 /nfs/dbraw/zinc/18/06/11/807180611.db2.gz MWODQJJWVZMBQD-GJZGRUSLSA-N 0 3 294.439 3.370 20 30 CGEDHN CCCCC[C@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001257502212 807183818 /nfs/dbraw/zinc/18/38/18/807183818.db2.gz UONLUTPNQNZPHO-JTQLQIEISA-N 0 3 253.777 3.409 20 30 CGEDHN Cc1c2[nH]cnc2ccc1NCc1ccccc1C#N ZINC001167634952 807220853 /nfs/dbraw/zinc/22/08/53/807220853.db2.gz GVGCPMPCPXZGMX-UHFFFAOYSA-N 0 3 262.316 3.355 20 30 CGEDHN CCCCCCC[C@H](C)N1Cc2ccnn2CC[C@@H]1CO ZINC001258050757 807277033 /nfs/dbraw/zinc/27/70/33/807277033.db2.gz XTYRYBZKFVRRLR-DOTOQJQBSA-N 0 3 293.455 3.199 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001168166560 807330298 /nfs/dbraw/zinc/33/02/98/807330298.db2.gz LRDSHKSYNYVDMN-STQMWFEESA-N 0 3 288.863 3.153 20 30 CGEDHN COc1ccc2c(c1)C[C@H](N(CCC#N)C1CCCC1)C2 ZINC001168271058 807368916 /nfs/dbraw/zinc/36/89/16/807368916.db2.gz BYZGDZUCRMMULE-QGZVFWFLSA-N 0 3 284.403 3.321 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cc(F)ccc3C2)CCCC1 ZINC001168397189 807404023 /nfs/dbraw/zinc/40/40/23/807404023.db2.gz MNXMYMOUUJYXEG-INIZCTEOSA-N 0 3 272.367 3.357 20 30 CGEDHN C=CCC[C@H](C)N1CCN(c2noc3ccccc32)CC1 ZINC001258725084 807573149 /nfs/dbraw/zinc/57/31/49/807573149.db2.gz HYDFUHKSTFRITB-AWEZNQCLSA-N 0 3 285.391 3.305 20 30 CGEDHN C=C(C)CCc1ccccc1-n1ccc([C@@H](C)N)n1 ZINC001169232947 807611289 /nfs/dbraw/zinc/61/12/89/807611289.db2.gz KQNAGKQHGLZVNU-CYBMUJFWSA-N 0 3 255.365 3.401 20 30 CGEDHN C=CCC[C@H](NCc1cnc(C)o1)[C@]1(C)CCCCO1 ZINC001262160299 807830152 /nfs/dbraw/zinc/83/01/52/807830152.db2.gz AQWMYUUJUALVQJ-HOTGVXAUSA-N 0 3 278.396 3.367 20 30 CGEDHN COC[C@H](NCCCCC1(C#N)CCC1)c1ccco1 ZINC001262256952 807842330 /nfs/dbraw/zinc/84/23/30/807842330.db2.gz YRFVECLXRIIXMI-AWEZNQCLSA-N 0 3 276.380 3.421 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC(C)C)cc1F ZINC001263079104 807930740 /nfs/dbraw/zinc/93/07/40/807930740.db2.gz GDFWKJOAHUASLR-CQSZACIVSA-N 0 3 294.370 3.235 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC001263087056 807932330 /nfs/dbraw/zinc/93/23/30/807932330.db2.gz VTIOTZBFTXXVFE-ZDUSSCGKSA-N 0 3 290.411 3.080 20 30 CGEDHN C=C[C@H]1C[C@@]1(Nc1ccc2cnc(C)cc2c1)C(=O)OCC ZINC001170927567 807937127 /nfs/dbraw/zinc/93/71/27/807937127.db2.gz LFVLOKXUNIGGMT-YJBOKZPZSA-N 0 3 296.370 3.463 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(CCC)c1ccccc1 ZINC001263246343 807941190 /nfs/dbraw/zinc/94/11/90/807941190.db2.gz NSXBNSPEKFFTLA-HOCLYGCPSA-N 0 3 294.826 3.288 20 30 CGEDHN CC1(C#N)CCN([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000531 807954867 /nfs/dbraw/zinc/95/48/67/807954867.db2.gz JBOYNNHHUKXHOH-AWEZNQCLSA-N 0 3 272.367 3.309 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001263616541 807978778 /nfs/dbraw/zinc/97/87/78/807978778.db2.gz YUQMQEMTWWSXTF-MGPQQGTHSA-N 0 3 285.391 3.296 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001263616375 807979185 /nfs/dbraw/zinc/97/91/85/807979185.db2.gz VMUBZMFBZVZONU-ARFHVFGLSA-N 0 3 293.370 3.191 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171105354 807985349 /nfs/dbraw/zinc/98/53/49/807985349.db2.gz SPDGSYIXZLTGNP-CABCVRRESA-N 0 3 262.784 3.479 20 30 CGEDHN CC[C@H](C)[C@@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001263665131 807991693 /nfs/dbraw/zinc/99/16/93/807991693.db2.gz VDTOCAANYRIWAQ-IQJOONFLSA-N 0 3 266.291 3.218 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](C)c1nccs1 ZINC001171185269 808002848 /nfs/dbraw/zinc/00/28/48/808002848.db2.gz PPGNLZSZQSSHCX-VXGBXAGGSA-N 0 3 271.389 3.297 20 30 CGEDHN Cc1ccc(F)c(CN[C@H](C)Cc2cccc(C#N)c2)n1 ZINC001171189757 808004514 /nfs/dbraw/zinc/00/45/14/808004514.db2.gz KWHPZRAZTYVNTR-CYBMUJFWSA-N 0 3 283.350 3.122 20 30 CGEDHN Cc1cnc(CN[C@@H](C)Cc2cccc(C#N)c2)s1 ZINC001171191527 808005421 /nfs/dbraw/zinc/00/54/21/808005421.db2.gz AQXKUZUIJLFQQW-NSHDSACASA-N 0 3 271.389 3.044 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC[C@@H]1c1cnccn1 ZINC001171220854 808010689 /nfs/dbraw/zinc/01/06/89/808010689.db2.gz FADMIOYHVGLFLL-KBXCAEBGSA-N 0 3 292.386 3.116 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001171230236 808014334 /nfs/dbraw/zinc/01/43/34/808014334.db2.gz UFCSRAMRHYXGGA-AWEZNQCLSA-N 0 3 292.382 3.253 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001171230236 808014337 /nfs/dbraw/zinc/01/43/37/808014337.db2.gz UFCSRAMRHYXGGA-AWEZNQCLSA-N 0 3 292.382 3.253 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171300032 808023183 /nfs/dbraw/zinc/02/31/83/808023183.db2.gz VLBICLQHIOYCHK-NWDGAFQWSA-N 0 3 292.810 3.488 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349294 808033030 /nfs/dbraw/zinc/03/30/30/808033030.db2.gz HYWFLUUHOKTNAQ-CHWSQXEVSA-N 0 3 264.319 3.104 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001265235089 808122341 /nfs/dbraw/zinc/12/23/41/808122341.db2.gz IFCDBQWDLSMKEF-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCCC(C)C)C1 ZINC001265561924 808154732 /nfs/dbraw/zinc/15/47/32/808154732.db2.gz OMBLRULNWBOJCF-OKILXGFUSA-N 0 3 286.847 3.192 20 30 CGEDHN CC(C)(C)OC(=O)C1CCC(N2CC[C@@](C)(C#N)C2)CC1 ZINC001171933658 808156262 /nfs/dbraw/zinc/15/62/62/808156262.db2.gz ZSBNYMBBQZAGPY-KVULBXGLSA-N 0 3 292.423 3.122 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001265705961 808171864 /nfs/dbraw/zinc/17/18/64/808171864.db2.gz PDRMTZRAFSDBOG-FZXWVIKQSA-N 0 3 298.858 3.312 20 30 CGEDHN COc1cccc(F)c1CN[C@H](C)Cc1ccc(C#N)cc1 ZINC001172295880 808218641 /nfs/dbraw/zinc/21/86/41/808218641.db2.gz VKFCWTSSPHQUCV-CYBMUJFWSA-N 0 3 298.361 3.427 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@@](C)(F)C1 ZINC001172314265 808224717 /nfs/dbraw/zinc/22/47/17/808224717.db2.gz IIIGKJGCCKYNBT-CZUORRHYSA-N 0 3 260.356 3.313 20 30 CGEDHN C=CCN(C)CCNC(=O)c1ccc(C2CCCC2)cc1 ZINC001266298290 808237930 /nfs/dbraw/zinc/23/79/30/808237930.db2.gz GEGZGDHYEYJYJH-UHFFFAOYSA-N 0 3 286.419 3.192 20 30 CGEDHN CCCCCCCN1CC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001266327891 808243022 /nfs/dbraw/zinc/24/30/22/808243022.db2.gz NUXXCEZBOKNUEP-OAHLLOKOSA-N 0 3 298.446 3.430 20 30 CGEDHN COc1cccc(F)c1CN[C@H](C)CCCC#N ZINC001172480018 808342978 /nfs/dbraw/zinc/34/29/78/808342978.db2.gz QDAYAFCFSDGUIU-LLVKDONJSA-N 0 3 250.317 3.006 20 30 CGEDHN C[C@@H](CCCC#N)NCc1cc(O)ccc1Br ZINC001172487411 808348301 /nfs/dbraw/zinc/34/83/01/808348301.db2.gz HLOKVZGHVSZXOZ-JTQLQIEISA-N 0 3 297.196 3.327 20 30 CGEDHN CCCCCCC[C@H](CCC)N[C@@H]1C=CS(=O)(=O)C1 ZINC001172502480 808358282 /nfs/dbraw/zinc/35/82/82/808358282.db2.gz QCCWTPLDRAYXKV-LSDHHAIUSA-N 0 3 287.469 3.416 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(c2nc3ccccc3o2)CC1 ZINC001172507036 808362883 /nfs/dbraw/zinc/36/28/83/808362883.db2.gz NZGOGFZHUIBAFY-CQSZACIVSA-N 0 3 298.390 3.032 20 30 CGEDHN C[C@H](CCCC#N)N(C)Cc1cccc(F)c1F ZINC001172510227 808365701 /nfs/dbraw/zinc/36/57/01/808365701.db2.gz XTXAVXRBTSJVIE-LLVKDONJSA-N 0 3 252.308 3.479 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1CCCC1 ZINC001267157393 808369593 /nfs/dbraw/zinc/36/95/93/808369593.db2.gz DEKAGHAPYQSKNG-HNNXBMFYSA-N 0 3 298.858 3.290 20 30 CGEDHN CCCN(CCC#N)C1CC(C)(C)OC(C)(C)C1 ZINC001172658344 808410781 /nfs/dbraw/zinc/41/07/81/808410781.db2.gz OXOKXNYSNRBBNT-UHFFFAOYSA-N 0 3 252.402 3.348 20 30 CGEDHN N#C[C@@H]1CCCN([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721414 808419549 /nfs/dbraw/zinc/41/95/49/808419549.db2.gz DXADOFDAVGACDR-MLGOLLRUSA-N 0 3 274.795 3.433 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC001267522424 808438515 /nfs/dbraw/zinc/43/85/15/808438515.db2.gz GDXKEOYARKFZEU-DOTOQJQBSA-N 0 3 288.435 3.302 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](C)C2CCC2)C1 ZINC001267544863 808444881 /nfs/dbraw/zinc/44/48/81/808444881.db2.gz UXOQPAZTVDDJNH-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN Cc1ccc2c(c1)C[C@H](NCC1(C#N)CCC1)CC2 ZINC001172824015 808446919 /nfs/dbraw/zinc/44/69/19/808446919.db2.gz OVRLINWQUUXFPM-MRXNPFEDSA-N 0 3 254.377 3.136 20 30 CGEDHN CCCN(CCC#N)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172832823 808450920 /nfs/dbraw/zinc/45/09/20/808450920.db2.gz YPALNZWHKFAGCS-QGZVFWFLSA-N 0 3 256.393 3.478 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001267789694 808493673 /nfs/dbraw/zinc/49/36/73/808493673.db2.gz JZFWJISJMQDCEF-RDJZCZTQSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccccc1CC ZINC001268232961 808563667 /nfs/dbraw/zinc/56/36/67/808563667.db2.gz OGQXMMPYJKOEDM-UHFFFAOYSA-N 0 3 288.435 3.105 20 30 CGEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](CC)CC1CCCC1 ZINC001268252829 808569413 /nfs/dbraw/zinc/56/94/13/808569413.db2.gz DRKWSKGFIFHAIG-KRWDZBQOSA-N 0 3 292.467 3.006 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001268254224 808570444 /nfs/dbraw/zinc/57/04/44/808570444.db2.gz MFEQYVFWLSDSMD-HOTGVXAUSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001268898928 808635248 /nfs/dbraw/zinc/63/52/48/808635248.db2.gz OBLHEAXCKFPIIJ-CABCVRRESA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CC1 ZINC001268935249 808636579 /nfs/dbraw/zinc/63/65/79/808636579.db2.gz QRQNMBFQPFISGZ-PVAVHDDUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCCC(C)C)C1 ZINC001269279717 808663685 /nfs/dbraw/zinc/66/36/85/808663685.db2.gz CFEVBGAPSLGFFI-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001269311741 808667494 /nfs/dbraw/zinc/66/74/94/808667494.db2.gz VFOCJQJOJIGFOI-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCC(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001269383155 808676794 /nfs/dbraw/zinc/67/67/94/808676794.db2.gz CIQDTAJYFXHHAW-CYBMUJFWSA-N 0 3 290.382 3.091 20 30 CGEDHN C=C(Cl)CNC[C@]1(NC(=O)CCC)CCCC[C@@H]1C ZINC001269656705 808694665 /nfs/dbraw/zinc/69/46/65/808694665.db2.gz FHEAJVXILSGXHJ-SWLSCSKDSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CC(C)(C)C(=O)NCC1(C)CCN(C[C@@H](F)CC)CC1 ZINC001270899635 808752680 /nfs/dbraw/zinc/75/26/80/808752680.db2.gz TZAPSLDBKAOIFX-AWEZNQCLSA-N 0 3 298.446 3.165 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CCC)CCC1 ZINC001272031885 808793503 /nfs/dbraw/zinc/79/35/03/808793503.db2.gz AVQOUHFNIQKUCA-CVEARBPZSA-N 0 3 290.451 3.208 20 30 CGEDHN CCCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001272293551 808803855 /nfs/dbraw/zinc/80/38/55/808803855.db2.gz IOABPQTYBPPSCG-JYJNAYRXSA-N 0 3 280.456 3.288 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccccc1F ZINC001277106630 809058603 /nfs/dbraw/zinc/05/86/03/809058603.db2.gz KTCOWYFZMZCUKO-LBPRGKRZSA-N 0 3 298.789 3.066 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CC12CCCC2 ZINC001277335145 809070359 /nfs/dbraw/zinc/07/03/59/809070359.db2.gz IOKOJEARXYTUDJ-UONOGXRCSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001278662998 809150254 /nfs/dbraw/zinc/15/02/54/809150254.db2.gz HLOJYVATPYZLAK-QGZVFWFLSA-N 0 3 280.456 3.217 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@H]2CN(C[C@H](F)CC)C[C@H]21 ZINC001279624567 809175740 /nfs/dbraw/zinc/17/57/40/809175740.db2.gz MCDGNUMDDMOETK-ARFHVFGLSA-N 0 3 296.430 3.014 20 30 CGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(CC=C(C)C)[C@H]1C ZINC001284129470 809297874 /nfs/dbraw/zinc/29/78/74/809297874.db2.gz IJJONBMUNOHWMF-DLBZAZTESA-N 0 3 290.451 3.115 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H]1CC=CCC1)C(C)C ZINC001284544917 809309564 /nfs/dbraw/zinc/30/95/64/809309564.db2.gz LFRMQRZVNMGWRA-KRWDZBQOSA-N 0 3 292.467 3.478 20 30 CGEDHN C=C[C@H](COC)NC/C=C/c1cc(C)c(C)cc1C ZINC001178537345 809873479 /nfs/dbraw/zinc/87/34/79/809873479.db2.gz NCMQRNFEUMPBGC-IWAYRVGRSA-N 0 3 259.393 3.416 20 30 CGEDHN C=CC[C@H]1N(Cc2ccn(CC)n2)CCCC1(C)C ZINC001181297056 810046903 /nfs/dbraw/zinc/04/69/03/810046903.db2.gz KOWOLVIAPDFBAU-OAHLLOKOSA-N 0 3 261.413 3.470 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189323981 810558654 /nfs/dbraw/zinc/55/86/54/810558654.db2.gz CVDCBDNQOWDCED-OWCLPIDISA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001190354289 810622459 /nfs/dbraw/zinc/62/24/59/810622459.db2.gz HTNHPJYKVIYXLD-AWEZNQCLSA-N 0 3 298.858 3.264 20 30 CGEDHN CCCCCCCCNC(=O)N[C@@]1(C)CCCN(C)C1 ZINC001191081298 810672466 /nfs/dbraw/zinc/67/24/66/810672466.db2.gz KVVMJYQBCOUIPG-INIZCTEOSA-N 0 3 283.460 3.130 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001192471479 810800471 /nfs/dbraw/zinc/80/04/71/810800471.db2.gz DEPCFZKIUOSRFI-IRXDYDNUSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCCN(CC/C=C\CCC)CC1 ZINC001196731849 811361169 /nfs/dbraw/zinc/36/11/69/811361169.db2.gz JGBKMIYPWDXHCT-HJWRWDBZSA-N 0 3 292.467 3.479 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001196790912 811366851 /nfs/dbraw/zinc/36/68/51/811366851.db2.gz QKZDKVHJGBIFMM-MRXNPFEDSA-N 0 3 298.446 3.261 20 30 CGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001196854816 811374727 /nfs/dbraw/zinc/37/47/27/811374727.db2.gz UKNCMLWUGCSBKI-FNQZAJIHSA-N 0 3 292.467 3.335 20 30 CGEDHN C=CC[C@H]1CCN1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001198489582 811508935 /nfs/dbraw/zinc/50/89/35/811508935.db2.gz CDIZPEPBVAGGBU-LSDHHAIUSA-N 0 3 290.794 3.483 20 30 CGEDHN CCCCCCCCCCCN1CCCNC(=O)C1 ZINC001201631731 811926105 /nfs/dbraw/zinc/92/61/05/811926105.db2.gz ZIXUEAVYLOFHCF-UHFFFAOYSA-N 0 3 268.445 3.339 20 30 CGEDHN CCCCCCCN1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001201762927 811963520 /nfs/dbraw/zinc/96/35/20/811963520.db2.gz ZXDNUWBCVFIVIV-INIZCTEOSA-N 0 3 293.455 3.419 20 30 CGEDHN CCCCCCCN1CC(N2CCC(F)CC2)C1 ZINC001201788029 811964287 /nfs/dbraw/zinc/96/42/87/811964287.db2.gz SVNGEWICMCMOPU-UHFFFAOYSA-N 0 3 256.409 3.075 20 30 CGEDHN CCCCCCCN1CCN(CCc2ccccn2)CC1 ZINC001201788054 811964476 /nfs/dbraw/zinc/96/44/76/811964476.db2.gz VASRLSZVNPURIG-UHFFFAOYSA-N 0 3 289.467 3.212 20 30 CGEDHN CCCCCCCCN1CCS[C@H](C(=O)OCC)C1 ZINC001201839779 811969180 /nfs/dbraw/zinc/96/91/80/811969180.db2.gz JCXGTYOPCUGYLB-AWEZNQCLSA-N 0 3 287.469 3.327 20 30 CGEDHN C(#CC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC001204066248 812539097 /nfs/dbraw/zinc/53/90/97/812539097.db2.gz WTUHIQXPKNJHQI-UHFFFAOYSA-N 0 3 276.383 3.345 20 30 CGEDHN N#Cc1ccc(CC2CCN(Cc3ccncc3)CC2)cc1 ZINC001204080835 812542904 /nfs/dbraw/zinc/54/29/04/812542904.db2.gz YBMFTMCFWQYMLO-UHFFFAOYSA-N 0 3 291.398 3.408 20 30 CGEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccnc1N ZINC001204697193 812710541 /nfs/dbraw/zinc/71/05/41/812710541.db2.gz MCWBNVCAUIGPHY-UHFFFAOYSA-N 0 3 294.402 3.194 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H]3CCC[C@@H]3C2)ccc1F ZINC001205459205 812986958 /nfs/dbraw/zinc/98/69/58/812986958.db2.gz HILQBVJVDZNPPP-UONOGXRCSA-N 0 3 258.340 3.319 20 30 CGEDHN O=C1C=C2CN(Cc3cc(Cl)ccc3F)CCC2S1 ZINC001206007397 813162422 /nfs/dbraw/zinc/16/24/22/813162422.db2.gz PXMKDNSNFSMKSC-CYBMUJFWSA-N 0 3 297.782 3.253 20 30 CGEDHN COc1cc(C)ccc1CN1CCC[C@H](C#N)CC1 ZINC001206768759 813430069 /nfs/dbraw/zinc/43/00/69/813430069.db2.gz AMSBLZAJFAYNEQ-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN COc1cc(C)ccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001206769366 813432257 /nfs/dbraw/zinc/43/22/57/813432257.db2.gz JHAONPMRABGCBE-MKZZRHPPSA-N 0 3 270.376 3.270 20 30 CGEDHN C=CCCCN1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001209165169 813955496 /nfs/dbraw/zinc/95/54/96/813955496.db2.gz OEUJNSSYUPOFOF-HNNXBMFYSA-N 0 3 276.399 3.471 20 30 CGEDHN C=CCCCCN1CC2(CCN2Cc2ccccc2)C1 ZINC001209204940 813967307 /nfs/dbraw/zinc/96/73/07/813967307.db2.gz MAXGBQWMXVPMAJ-UHFFFAOYSA-N 0 3 270.420 3.303 20 30 CGEDHN C=CCCCCCN1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001209422941 814025988 /nfs/dbraw/zinc/02/59/88/814025988.db2.gz LEXHMFBECOSJDQ-MRXNPFEDSA-N 0 3 291.439 3.195 20 30 CGEDHN C=CCCCCCN1CCCC[C@H]1C(=O)NCCC ZINC001209427522 814028123 /nfs/dbraw/zinc/02/81/23/814028123.db2.gz RRLHKBOWLNNNEV-HNNXBMFYSA-N 0 3 266.429 3.114 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001211224996 814855845 /nfs/dbraw/zinc/85/58/45/814855845.db2.gz YOIPAIPNTDHNDV-HUUCEWRRSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCCCCCCCCCO[C@H]1CNC[C@H]1C#N ZINC001217833964 815973682 /nfs/dbraw/zinc/97/36/82/815973682.db2.gz UPUMWEJYROIMOO-CVEARBPZSA-N 0 3 264.413 3.421 20 30 CGEDHN C=C(C)[C@@H]1CC=C(C)[C@H](OC[C@@H]2COC(C)(C)N2)C1 ZINC001217836893 815974078 /nfs/dbraw/zinc/97/40/78/815974078.db2.gz JDSCQVIPLPQKAP-RBSFLKMASA-N 0 3 265.397 3.029 20 30 CGEDHN C=CCCCCCCCCCO[C@@H]1CNC[C@@H]1C#N ZINC001217833979 815974220 /nfs/dbraw/zinc/97/42/20/815974220.db2.gz UPUMWEJYROIMOO-JKSUJKDBSA-N 0 3 264.413 3.421 20 30 CGEDHN Cc1cc(O[C@@H]2CNCc3ccccc32)cc(C)c1C#N ZINC001218486685 816242662 /nfs/dbraw/zinc/24/26/62/816242662.db2.gz QHLYTXQJRMLQDE-GOSISDBHSA-N 0 3 278.355 3.398 20 30 CGEDHN C=CCCC(=O)N1C[C@H]2CCN([C@H](C)c3ccccc3)C[C@H]21 ZINC001221424509 816312763 /nfs/dbraw/zinc/31/27/63/816312763.db2.gz GYUDVLCDQWLUQC-KBAYOESNSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCn1cc(-c2ccc(C3=NCCC3)cc2)cn1 ZINC001222386956 816427297 /nfs/dbraw/zinc/42/72/97/816427297.db2.gz ZJWLEOWKBVCTSL-UHFFFAOYSA-N 0 3 251.333 3.319 20 30 CGEDHN C[NH+]1C(C)(C)CC(Oc2cc(C#N)ccc2[O-])CC1(C)C ZINC001227351267 817630717 /nfs/dbraw/zinc/63/07/17/817630717.db2.gz UAMHAJMBUVLBQQ-UHFFFAOYSA-N 0 3 288.391 3.294 20 30 CGEDHN N#Cc1c(Cl)cccc1OC1CCN(C2CC2)CC1 ZINC001227790003 817721125 /nfs/dbraw/zinc/72/11/25/817721125.db2.gz SIIFXBINEQZGEO-UHFFFAOYSA-N 0 3 276.767 3.217 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001231663172 818153722 /nfs/dbraw/zinc/15/37/22/818153722.db2.gz KVPLMVGJXBTWDJ-SFHVURJKSA-N 0 3 292.382 3.025 20 30 CGEDHN C=CCN(Cc1cc(OC)ccn1)C1CCCCC1 ZINC001231972792 818220284 /nfs/dbraw/zinc/22/02/84/818220284.db2.gz OPLGVJOOMNYPEW-UHFFFAOYSA-N 0 3 260.381 3.411 20 30 CGEDHN CCCCN(CCC#N)Cc1cc(F)cc(CN(C)C)c1 ZINC001232146849 818264484 /nfs/dbraw/zinc/26/44/84/818264484.db2.gz IOLFIKFPBGBPSQ-UHFFFAOYSA-N 0 3 291.414 3.403 20 30 CGEDHN CC1(C)OCCC12CCN(Cc1ccc(C#N)s1)CC2 ZINC001232845224 818454523 /nfs/dbraw/zinc/45/45/23/818454523.db2.gz PMJFLWCTPQDXOU-UHFFFAOYSA-N 0 3 290.432 3.401 20 30 CGEDHN CCN1CC[C@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233730906 818692075 /nfs/dbraw/zinc/69/20/75/818692075.db2.gz AMNWOFWGCMZVJX-LBPRGKRZSA-N 0 3 284.281 3.050 20 30 CGEDHN C#C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761143 818699276 /nfs/dbraw/zinc/69/92/76/818699276.db2.gz QIHVXCHVOSTRAN-NSHDSACASA-N 0 3 299.292 3.136 20 30 CGEDHN C#C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761143 818699287 /nfs/dbraw/zinc/69/92/87/818699287.db2.gz QIHVXCHVOSTRAN-NSHDSACASA-N 0 3 299.292 3.136 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CCCCCCC ZINC001233946439 818738123 /nfs/dbraw/zinc/73/81/23/818738123.db2.gz BKUVKJNABHITNI-QGZVFWFLSA-N 0 3 292.467 3.293 20 30 CGEDHN Cc1cc(F)c(CN2CCC3SC(=O)C=C3C2)c(F)c1 ZINC001235189116 819029366 /nfs/dbraw/zinc/02/93/66/819029366.db2.gz FVFDYLIHUPVFHL-CQSZACIVSA-N 0 3 295.354 3.047 20 30 CGEDHN C[C@@H](c1ccccc1)N(CCO)Cc1ccc(C#N)cc1 ZINC001236145565 819346798 /nfs/dbraw/zinc/34/67/98/819346798.db2.gz YDPCRWWTHHZVCI-HNNXBMFYSA-N 0 3 280.371 3.114 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1ccc(C#N)cc1F ZINC001236534969 819525687 /nfs/dbraw/zinc/52/56/87/819525687.db2.gz PMXBFIJEXHYGOQ-SOFGYWHQSA-N 0 3 267.307 3.292 20 30 CGEDHN Cc1c(CN2CCC3SC(=O)C=C3C2)ccc(F)c1F ZINC001237158833 819684523 /nfs/dbraw/zinc/68/45/23/819684523.db2.gz OONBXTVLKUDXAV-CYBMUJFWSA-N 0 3 295.354 3.047 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC001237745066 819833191 /nfs/dbraw/zinc/83/31/91/819833191.db2.gz BPZXSNFJZPSHLJ-ZIAGYGMSSA-N 0 3 260.768 3.444 20 30 CGEDHN COc1cc(CN2CC[C@H](C)C(F)(F)CC2)ccc1C#N ZINC001238411037 819987923 /nfs/dbraw/zinc/98/79/23/819987923.db2.gz XIERRRWWUVLUFG-LBPRGKRZSA-N 0 3 294.345 3.434 20 30 CGEDHN CCc1cc(CN2CC[C@H]3CCCO[C@@H]3C2)ccc1C#N ZINC001238760337 820109459 /nfs/dbraw/zinc/10/94/59/820109459.db2.gz HWHJQFNQDIZROR-SJLPKXTDSA-N 0 3 284.403 3.122 20 30 CGEDHN COc1cc(C)c(C)cc1CN1CCC[C@H](C#N)CC1 ZINC001238767567 820113619 /nfs/dbraw/zinc/11/36/19/820113619.db2.gz QXMRGZVISUITNS-HNNXBMFYSA-N 0 3 272.392 3.438 20 30 CGEDHN N#Cc1cc(C(F)(F)F)ccc1-c1ccc(CN)nc1 ZINC001238842548 820131612 /nfs/dbraw/zinc/13/16/12/820131612.db2.gz LISDFWJMJSRJJA-UHFFFAOYSA-N 0 3 277.249 3.098 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1CCNCC1(C)C ZINC001239286221 820252418 /nfs/dbraw/zinc/25/24/18/820252418.db2.gz FHIDHIMYUUHTRU-AWEZNQCLSA-N 0 3 283.460 3.129 20 30 CGEDHN C=C/C(=N\COC)C1=CCCN(Cc2ccccc2)C1 ZINC001240385923 821009813 /nfs/dbraw/zinc/00/98/13/821009813.db2.gz QUPLSOAWNMPHRH-ISLYRVAYSA-N 0 3 270.376 3.050 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C)nn1CCCCC ZINC001340749604 936412904 /nfs/dbraw/zinc/41/29/04/936412904.db2.gz YFUHEYFZDCZJFL-CQSZACIVSA-N 0 3 292.427 3.004 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC001340766667 936413591 /nfs/dbraw/zinc/41/35/91/936413591.db2.gz JCMJCPDVYZSZQJ-GXFFZTMASA-N 0 3 298.789 3.340 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC001341190173 936430420 /nfs/dbraw/zinc/43/04/20/936430420.db2.gz BHLSAFVONJVKGC-QUQQQVAWSA-N 0 3 298.430 3.374 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1CCSC ZINC001341500409 936440172 /nfs/dbraw/zinc/44/01/72/936440172.db2.gz CLWWTIAZACZZLY-CQSZACIVSA-N 0 3 292.448 3.214 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1ccccn1 ZINC001341734018 936449255 /nfs/dbraw/zinc/44/92/55/936449255.db2.gz RTJNDWRDRROURC-INIZCTEOSA-N 0 3 291.439 3.118 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC001341810227 936451904 /nfs/dbraw/zinc/45/19/04/936451904.db2.gz JILIVPGLKLSJDG-ZDUSSCGKSA-N 0 3 282.334 3.420 20 30 CGEDHN N#CC(C(=O)c1ccc2ccccc2n1)c1cccc(F)n1 ZINC001342557965 936469760 /nfs/dbraw/zinc/46/97/60/936469760.db2.gz LBTQURNQTRMNKJ-LBPRGKRZSA-N 0 3 291.285 3.259 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC(C)(C)C(F)(F)F ZINC001344322277 936529468 /nfs/dbraw/zinc/52/94/68/936529468.db2.gz LHPWGJHELPCGIJ-VIFPVBQESA-N 0 3 287.285 3.058 20 30 CGEDHN CN(C)Cc1cccc(C(=O)O[C@H](CC#N)c2ccco2)c1 ZINC001345982317 936832521 /nfs/dbraw/zinc/83/25/21/936832521.db2.gz QIWJBKBSFNLIBP-MRXNPFEDSA-N 0 3 298.342 3.153 20 30 CGEDHN CCC[C@H](CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346000055 936833903 /nfs/dbraw/zinc/83/39/03/936833903.db2.gz NQSFGKVKLIIRKK-GXSJLCMTSA-N 0 3 266.291 3.362 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCCC1CCCCC1 ZINC001346547601 936852702 /nfs/dbraw/zinc/85/27/02/936852702.db2.gz AZKJQLZIDTXWER-CQSZACIVSA-N 0 3 273.380 3.347 20 30 CGEDHN C=CCCCCCN1CCC[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001479909530 936921517 /nfs/dbraw/zinc/92/15/17/936921517.db2.gz ZFHUEBYZVVNHHQ-GJZGRUSLSA-N 0 3 284.419 3.062 20 30 CGEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001479968062 936951414 /nfs/dbraw/zinc/95/14/14/936951414.db2.gz ZQFUFXUTESLRFG-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC001353146464 937058903 /nfs/dbraw/zinc/05/89/03/937058903.db2.gz NCHYECOIBXXXQR-DLBZAZTESA-N 0 3 299.418 3.221 20 30 CGEDHN CC(C)c1ccc(CCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC001353605902 937072330 /nfs/dbraw/zinc/07/23/30/937072330.db2.gz MQWMYSUPDXYGOR-CALCHBBNSA-N 0 3 299.462 3.271 20 30 CGEDHN C=CCN(CC)CCNC(=O)C1(CC(C)C)CCCC1 ZINC001481006479 926856558 /nfs/dbraw/zinc/85/65/58/926856558.db2.gz USJQAXGBTGTWGO-UHFFFAOYSA-N 0 3 280.456 3.217 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CC1 ZINC001481674584 927055598 /nfs/dbraw/zinc/05/55/98/927055598.db2.gz NHFSPWNLYGJQRE-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCC2CCCCC2)C1 ZINC001481749578 927077203 /nfs/dbraw/zinc/07/72/03/927077203.db2.gz AFDMZOVOQSWUJF-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@@H](C)CC)C1CC1 ZINC001481927334 927113331 /nfs/dbraw/zinc/11/33/31/927113331.db2.gz OGRVYOJKRHOYKB-NHYWBVRUSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCc1ccc(CNCC#CC)cc1 ZINC001482033258 927134380 /nfs/dbraw/zinc/13/43/80/927134380.db2.gz UEROVPSWSJQLER-INIZCTEOSA-N 0 3 298.430 3.018 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001505836290 927361196 /nfs/dbraw/zinc/36/11/96/927361196.db2.gz CJQFDGBXNDEKQE-ZDUSSCGKSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)C1CCCC1 ZINC001483621131 927533628 /nfs/dbraw/zinc/53/36/28/927533628.db2.gz FQFWYDCAUWRBSI-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001357546362 937174498 /nfs/dbraw/zinc/17/44/98/937174498.db2.gz MGWVQDCIVPOQLP-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001483694670 927578660 /nfs/dbraw/zinc/57/86/60/927578660.db2.gz CXHJKQYXZQWVIN-OAHLLOKOSA-N 0 3 292.810 3.110 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C=C(\C)CC)cc1 ZINC001484559269 927720181 /nfs/dbraw/zinc/72/01/81/927720181.db2.gz OYWZNABKLBZMAM-QJPKHSJYSA-N 0 3 298.430 3.333 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)CC)cc1 ZINC001484560500 927721886 /nfs/dbraw/zinc/72/18/86/927721886.db2.gz ZEZMCLRPEYEFBW-LSDHHAIUSA-N 0 3 286.419 3.023 20 30 CGEDHN C=CCN(C)CCN(CC)CC#Cc1cccc(Cl)c1 ZINC001473431390 937199683 /nfs/dbraw/zinc/19/96/83/937199683.db2.gz CHYDNBXIZRBXKN-UHFFFAOYSA-N 0 3 290.838 3.131 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001485581465 927891290 /nfs/dbraw/zinc/89/12/90/927891290.db2.gz DNCMBAOQCMLOSV-HUUCEWRRSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001485702263 927907022 /nfs/dbraw/zinc/90/70/22/927907022.db2.gz NFBPGGYULKFDGN-YDHLFZDLSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)CCCC)CCC[C@H]12 ZINC001486152098 927989622 /nfs/dbraw/zinc/98/96/22/927989622.db2.gz NUVYZQBWKWKYFF-YQQAZPJKSA-N 0 3 278.440 3.112 20 30 CGEDHN CC#CCN1CCC([C@H](C)NC(=O)CC[C@H](C)CC)CC1 ZINC001486449138 928023677 /nfs/dbraw/zinc/02/36/77/928023677.db2.gz PPSIDJCGYPSJAF-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN CN1CCc2ccc(Nc3ccc(OCC#N)cc3)cc2C1 ZINC001212612174 928187570 /nfs/dbraw/zinc/18/75/70/928187570.db2.gz HSLLHTMDBVXVPG-UHFFFAOYSA-N 0 3 293.370 3.320 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC2CCCC2)C1 ZINC001494880182 928274014 /nfs/dbraw/zinc/27/40/14/928274014.db2.gz YZWRZAKCOULBQT-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCC1(C)C)C1CC1 ZINC001495282006 928331305 /nfs/dbraw/zinc/33/13/05/928331305.db2.gz VPOBUDPSASQFSO-XJKSGUPXSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H]2C=CCC2)CC1 ZINC001490610846 928379192 /nfs/dbraw/zinc/37/91/92/928379192.db2.gz YCKSJCZNFLLWBU-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN N#Cc1cc(-c2nccc3c2CCN3)ccc1Cl ZINC001240399084 928468477 /nfs/dbraw/zinc/46/84/77/928468477.db2.gz KNXVDFKKKFPIEP-UHFFFAOYSA-N 0 3 255.708 3.242 20 30 CGEDHN CN1CCC[C@H]1CSc1nc2c(cc1C#N)CCCC2 ZINC001458916928 937476374 /nfs/dbraw/zinc/47/63/74/937476374.db2.gz YSBMNLKDCYUUAU-AWEZNQCLSA-N 0 3 287.432 3.018 20 30 CGEDHN C#CCCN1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001460336838 937527072 /nfs/dbraw/zinc/52/70/72/937527072.db2.gz WNTZMKDBHCOCOV-BRWVUGGUSA-N 0 3 255.361 3.004 20 30 CGEDHN C=C(CC)CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001460690146 937540066 /nfs/dbraw/zinc/54/00/66/937540066.db2.gz GZOZNKKEFGSTLU-UONOGXRCSA-N 0 3 287.325 3.077 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1occc1Cl ZINC001158437763 931980495 /nfs/dbraw/zinc/98/04/95/931980495.db2.gz BXEMZUDGOBZRJP-GFCCVEGCSA-N 0 3 296.798 3.046 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@@H](C3CCCC3)C2)c1 ZINC001460948024 937555610 /nfs/dbraw/zinc/55/56/10/937555610.db2.gz MPRLERMEGITTGN-QGZVFWFLSA-N 0 3 269.392 3.355 20 30 CGEDHN C=C[C@H](C)NCc1cnn(Cc2ccccc2Cl)c1 ZINC001461339280 937576722 /nfs/dbraw/zinc/57/67/22/937576722.db2.gz IUTOCVRCHYFDMD-LBPRGKRZSA-N 0 3 275.783 3.249 20 30 CGEDHN C[N@@H+]1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229933014 932505159 /nfs/dbraw/zinc/50/51/59/932505159.db2.gz KZGCKKUCNZDIHC-IYSPOMMRSA-N 0 3 296.370 3.226 20 30 CGEDHN C[N@H+]1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229933014 932505164 /nfs/dbraw/zinc/50/51/64/932505164.db2.gz KZGCKKUCNZDIHC-IYSPOMMRSA-N 0 3 296.370 3.226 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001230588454 932594736 /nfs/dbraw/zinc/59/47/36/932594736.db2.gz PQZUMIWTKYAYKY-HNNXBMFYSA-N 0 3 290.407 3.172 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230614871 932598438 /nfs/dbraw/zinc/59/84/38/932598438.db2.gz SXMLPQQMLRJTOR-CQSZACIVSA-N 0 3 286.435 3.238 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658531 932605023 /nfs/dbraw/zinc/60/50/23/932605023.db2.gz BKLCSKLMTNZADO-DZGCQCFKSA-N 0 3 290.407 3.089 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001316599110 932743762 /nfs/dbraw/zinc/74/37/62/932743762.db2.gz AOHBMJVBICFBJP-LSDHHAIUSA-N 0 3 290.407 3.089 20 30 CGEDHN CC(=NNC1CCSCC1)c1c(C)cc(N)cc1C ZINC001333655656 932760044 /nfs/dbraw/zinc/76/00/44/932760044.db2.gz YYVWQZMWPWHWKF-UHFFFAOYSA-N 0 3 277.437 3.095 20 30 CGEDHN C[C@H](C#N)CN(C[C@@H]1CCCC12CCOCC2)C1CC1 ZINC001307643198 932978609 /nfs/dbraw/zinc/97/86/09/932978609.db2.gz KFQVLDLHFDFLKC-CABCVRRESA-N 0 3 276.424 3.207 20 30 CGEDHN C=CCN(C[C@@H]1CC[C@@H](c2ccccc2)O1)[C@H](C)COC ZINC001307925076 933021452 /nfs/dbraw/zinc/02/14/52/933021452.db2.gz WZZSLEZRBPZFPP-NJAFHUGGSA-N 0 3 289.419 3.430 20 30 CGEDHN C=CCCCCCN1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC001307971833 933027127 /nfs/dbraw/zinc/02/71/27/933027127.db2.gz KKHIWFRNGDIKGE-ZDUSSCGKSA-N 0 3 289.366 3.253 20 30 CGEDHN C=CCCCN(CC)CC(=O)Nc1cccc(C)c1 ZINC001308134229 933055181 /nfs/dbraw/zinc/05/51/81/933055181.db2.gz OJNIEFNMPGTPBK-UHFFFAOYSA-N 0 3 260.381 3.222 20 30 CGEDHN C[C@@H](NCc1ccc2nccnc2c1)c1ccc(C#N)cc1 ZINC001308229814 933076675 /nfs/dbraw/zinc/07/66/75/933076675.db2.gz NPNGNRRMLISNTO-CYBMUJFWSA-N 0 3 288.354 3.352 20 30 CGEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(C)n1 ZINC001308389250 933105216 /nfs/dbraw/zinc/10/52/16/933105216.db2.gz CHIUBUDFWSSSKQ-SFHVURJKSA-N 0 3 277.371 3.347 20 30 CGEDHN C#CCCCCCCN[C@H](C(N)=O)c1ccc(Cl)cc1 ZINC001308980363 933220029 /nfs/dbraw/zinc/22/00/29/933220029.db2.gz YABUFBFZSGBZFO-HNNXBMFYSA-N 0 3 292.810 3.040 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001316955424 933502523 /nfs/dbraw/zinc/50/25/23/933502523.db2.gz RPCBYOGBHZJSHG-HOTGVXAUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(C)CCCCC1 ZINC001317406142 933587701 /nfs/dbraw/zinc/58/77/01/933587701.db2.gz SLBIOVJBKWCBRV-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C)c(C)c1 ZINC001317412751 933588842 /nfs/dbraw/zinc/58/88/42/933588842.db2.gz PKBXATRKHPSGCV-AWEZNQCLSA-N 0 3 294.826 3.154 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC001317722267 933637966 /nfs/dbraw/zinc/63/79/66/933637966.db2.gz PONHPVFFRVYLNC-BZSNNMDCSA-N 0 3 298.430 3.056 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001318268554 933703468 /nfs/dbraw/zinc/70/34/68/933703468.db2.gz AJDFOTXQEWRRSF-RDJZCZTQSA-N 0 3 298.430 3.077 20 30 CGEDHN C=CCO[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001320160831 934010301 /nfs/dbraw/zinc/01/03/01/934010301.db2.gz RWTPYJCJGSDIRC-HIFRSBDPSA-N 0 3 290.363 3.241 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CCc2c1cccc2Br ZINC001320592955 934071737 /nfs/dbraw/zinc/07/17/37/934071737.db2.gz VDDKGMJWBXWAJI-YGRLFVJLSA-N 0 3 296.208 3.227 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001323285859 934378730 /nfs/dbraw/zinc/37/87/30/934378730.db2.gz AKVWGTCUPRASFC-LTIDMASMSA-N 0 3 292.467 3.193 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001323439276 934396580 /nfs/dbraw/zinc/39/65/80/934396580.db2.gz YDTSWDCWNADVAW-RNCFNFMXSA-N 0 3 257.736 3.067 20 30 CGEDHN CC[C@H](C)N[C@@H](CNc1cc(C)c(C#N)cn1)c1ccco1 ZINC001472778770 937783682 /nfs/dbraw/zinc/78/36/82/937783682.db2.gz OJKQOOFWQUKCAU-ZFWWWQNUSA-N 0 3 298.390 3.396 20 30 CGEDHN C=CCO[C@H]1CCN(CCOc2ccc(Cl)c(F)c2)C1 ZINC001473304371 937801441 /nfs/dbraw/zinc/80/14/41/937801441.db2.gz NMXAZMAZYHXHEH-ZDUSSCGKSA-N 0 3 299.773 3.135 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CCC)C(C)C ZINC001325925397 934939505 /nfs/dbraw/zinc/93/95/05/934939505.db2.gz ZRWZHWZCHGKBKO-YESZJQIVSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CC[C@H](C)c2ccsc21 ZINC001328091525 935116329 /nfs/dbraw/zinc/11/63/29/935116329.db2.gz OORPEBYGDQPDTF-LOWVWBTDSA-N 0 3 251.395 3.477 20 30 CGEDHN CN(C)c1ccc(CCNCc2cccc(F)c2C#N)cc1 ZINC001330589019 935298966 /nfs/dbraw/zinc/29/89/66/935298966.db2.gz PYPBPTSOLOGEDN-UHFFFAOYSA-N 0 3 297.377 3.096 20 30 CGEDHN CC[C@@H](NCc1cncc(C#N)c1)c1ccc(OC)cc1 ZINC001333156980 935515027 /nfs/dbraw/zinc/51/50/27/935515027.db2.gz DLZQWYVEVJVLFS-QGZVFWFLSA-N 0 3 281.359 3.203 20 30 CGEDHN CC[C@H](NCc1cncc(C#N)c1)c1ccc(OC)cc1 ZINC001333156979 935515157 /nfs/dbraw/zinc/51/51/57/935515157.db2.gz DLZQWYVEVJVLFS-KRWDZBQOSA-N 0 3 281.359 3.203 20 30 CGEDHN C=C[C@@H](CC)CC(=O)Nc1cccc(CN(C)C)c1 ZINC001333156579 935515431 /nfs/dbraw/zinc/51/54/31/935515431.db2.gz AYCWOCCENAPLGD-ZDUSSCGKSA-N 0 3 260.381 3.289 20 30 CGEDHN N#CCC1CCN(C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001334746324 936111077 /nfs/dbraw/zinc/11/10/77/936111077.db2.gz MNIWQNIHNCBHBK-QWHCGFSZSA-N 0 3 290.329 3.112 20 30 CGEDHN C#C[C@H](CCC)NC[C@H](O)c1ccccc1C(F)(F)F ZINC001335434437 936145094 /nfs/dbraw/zinc/14/50/94/936145094.db2.gz YBVLAJHOYQZRMI-RISCZKNCSA-N 0 3 285.309 3.130 20 30 CGEDHN C#CCN(CCc1c(F)cccc1Cl)C(C)C ZINC001473817142 937823184 /nfs/dbraw/zinc/82/31/84/937823184.db2.gz PSDHEJWHOKXSEJ-UHFFFAOYSA-N 0 3 253.748 3.365 20 30 CGEDHN C=CCCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001480106995 937932190 /nfs/dbraw/zinc/93/21/90/937932190.db2.gz WEKRBNVPQRCXPZ-KGLIPLIRSA-N 0 3 290.382 3.043 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1CCCCCC1 ZINC001480754002 937943576 /nfs/dbraw/zinc/94/35/76/937943576.db2.gz PBTYJQDGFQTMLA-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1CC(C)(C)C1)C1CC1 ZINC001495241128 937958580 /nfs/dbraw/zinc/95/85/80/937958580.db2.gz QOSYSZHMZVKAEZ-INIZCTEOSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]1CCC ZINC001496734470 937964091 /nfs/dbraw/zinc/96/40/91/937964091.db2.gz SRPLPEXJFXEXLG-HZPDHXFCSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001500547501 937978119 /nfs/dbraw/zinc/97/81/19/937978119.db2.gz WUDJTCDWJMXKGM-CRAIPNDOSA-N 0 3 292.467 3.217 20 30 CGEDHN C=CCN[C@@H](CNC(=O)/C(C)=C/C)c1ccccc1CC ZINC001501019538 937978558 /nfs/dbraw/zinc/97/85/58/937978558.db2.gz RHTYZXNURCXQAH-ZZZKQGFOSA-N 0 3 286.419 3.148 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001506740009 937991690 /nfs/dbraw/zinc/99/16/90/937991690.db2.gz NURQOWOQRAURBH-CQSZACIVSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001506882699 937992404 /nfs/dbraw/zinc/99/24/04/937992404.db2.gz KSWBQJCJLSTUHO-JOCQHMNTSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)CCC(C)C)c(F)c1 ZINC001508235040 937998774 /nfs/dbraw/zinc/99/87/74/937998774.db2.gz XFUKNFJUPGMUTK-UHFFFAOYSA-N 0 3 292.398 3.154 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC001521379106 938031636 /nfs/dbraw/zinc/03/16/36/938031636.db2.gz GCOOZCNQTQCAIZ-AWEZNQCLSA-N 0 3 288.391 3.022 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC001526587635 938056475 /nfs/dbraw/zinc/05/64/75/938056475.db2.gz SKKJYLFPZNWYJI-LLVKDONJSA-N 0 3 291.782 3.220 20 30 CGEDHN C#Cc1cccc(N(C(=O)[C@H]2CCCN2C(C)C)C(C)C)c1 ZINC001528199230 938066112 /nfs/dbraw/zinc/06/61/12/938066112.db2.gz MXXZSOSWGHXBSE-GOSISDBHSA-N 0 3 298.430 3.282 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001534730611 938097561 /nfs/dbraw/zinc/09/75/61/938097561.db2.gz SEKJMAXZPIDPCS-OAHLLOKOSA-N 0 3 288.435 3.225 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001537815630 938113672 /nfs/dbraw/zinc/11/36/72/938113672.db2.gz WRTYAVNMWLPAQT-IIDMSEBBSA-N 0 3 288.435 3.396 20 30 CGEDHN CCC#C[C@H](C)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001559638671 938231482 /nfs/dbraw/zinc/23/14/82/938231482.db2.gz JMXRDJJFCDJFCG-AWEZNQCLSA-N 0 3 279.387 3.454 20 30 CGEDHN C=CCC[C@@H]1CCCN1[C@@H](C)C(=O)OCCCC ZINC001560199695 938246842 /nfs/dbraw/zinc/24/68/42/938246842.db2.gz BAYNNCGFXFIHLH-UONOGXRCSA-N 0 3 253.386 3.149 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@]2(CO)c2ccccc2)c1 ZINC001560231474 938248140 /nfs/dbraw/zinc/24/81/40/938248140.db2.gz UPIOWARNLVTVAQ-IBGZPJMESA-N 0 3 292.382 3.042 20 30 CGEDHN C#CC1(NCc2cccc(OCC=C)c2)CCCC1 ZINC001560569016 938263337 /nfs/dbraw/zinc/26/33/37/938263337.db2.gz HGMHQSZVRJOCOJ-UHFFFAOYSA-N 0 3 255.361 3.287 20 30 CGEDHN C=CCC[C@@H](C)N[C@H]1COc2cc(F)cc(F)c21 ZINC001560751962 938273879 /nfs/dbraw/zinc/27/38/79/938273879.db2.gz VEQQQVDITPHURB-SKDRFNHKSA-N 0 3 253.292 3.343 20 30 CGEDHN C#CCC[C@@H](O)CN[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC001560991106 938288603 /nfs/dbraw/zinc/28/86/03/938288603.db2.gz CJIRDEQXGZBAQW-MAUKXSAKSA-N 0 3 294.398 3.174 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@H](OC)CC[C@H]1C ZINC001577426402 960476322 /nfs/dbraw/zinc/47/63/22/960476322.db2.gz NJWLYHDAIDCIFT-OAGGEKHMSA-N 0 3 298.471 3.090 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001566754622 961008840 /nfs/dbraw/zinc/00/88/40/961008840.db2.gz LRJNUGJLOFYMFL-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCC(=O)NCCN(CC)[C@H](C)c1cccc(F)c1 ZINC001567327466 961272553 /nfs/dbraw/zinc/27/25/53/961272553.db2.gz PVJGYNGXYSHESO-CQSZACIVSA-N 0 3 292.398 3.291 20 30 CGEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001567419841 961318387 /nfs/dbraw/zinc/31/83/87/961318387.db2.gz VOCHWKJYRPYKOI-SJORKVTESA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCCN[C@H](CNC(=O)C(C)(C)CC=C)c1ccccc1 ZINC001567662884 961379801 /nfs/dbraw/zinc/37/98/01/961379801.db2.gz DEVAEMNYDFCDDY-QGZVFWFLSA-N 0 3 298.430 3.059 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2(CCF)CC2)C1 ZINC001567687045 961394819 /nfs/dbraw/zinc/39/48/19/961394819.db2.gz STBGDBKMJMBAIS-OAHLLOKOSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2(CCF)CC2)C1 ZINC001567687044 961396951 /nfs/dbraw/zinc/39/69/51/961396951.db2.gz STBGDBKMJMBAIS-HNNXBMFYSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCC ZINC001567853577 961442140 /nfs/dbraw/zinc/44/21/40/961442140.db2.gz BQJFUMDXRPKOQG-IKGGRYGDSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(C)C(C)(C)C1(C)C ZINC001568506924 961605975 /nfs/dbraw/zinc/60/59/75/961605975.db2.gz QBEGUXQTNYVGCL-UHFFFAOYSA-N 0 3 280.456 3.025 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1CCCC(C)C ZINC001569359752 961743333 /nfs/dbraw/zinc/74/33/33/961743333.db2.gz LPOYAQFUTRZHTI-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCC(=O)NCCN(CCF)C1CCCCCC1 ZINC001569448202 961771914 /nfs/dbraw/zinc/77/19/14/961771914.db2.gz KZGLZZWVJRQMQI-UHFFFAOYSA-N 0 3 284.419 3.063 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2sccc2C)C1 ZINC001569708732 961828745 /nfs/dbraw/zinc/82/87/45/961828745.db2.gz HONXJAJGNOJWPV-MRXNPFEDSA-N 0 3 292.448 3.074 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569913588 961866858 /nfs/dbraw/zinc/86/68/58/961866858.db2.gz TXCDJGPANHQCKE-HUUCEWRRSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CCC1(C)C ZINC001571297132 962126901 /nfs/dbraw/zinc/12/69/01/962126901.db2.gz NSYVXSHXQOYIRE-OLZOCXBDSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC001574857725 962326257 /nfs/dbraw/zinc/32/62/57/962326257.db2.gz XWCVYFWEGXDRNM-PWSUYJOCSA-N 0 3 292.766 3.080 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](c1ccccc1)C(C)C ZINC001574903230 962327625 /nfs/dbraw/zinc/32/76/25/962327625.db2.gz NCYNTTAQRCROSB-DLBZAZTESA-N 0 3 288.435 3.226 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCCCc2sccc21 ZINC001574903455 962334067 /nfs/dbraw/zinc/33/40/67/962334067.db2.gz RDCGZPMITMCDFE-GFCCVEGCSA-N 0 3 278.421 3.101 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC001574903471 962335632 /nfs/dbraw/zinc/33/56/32/962335632.db2.gz RLGPMURZEUITNY-ILXRZTDVSA-N 0 3 280.456 3.391 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cccc(O)c1 ZINC001577429944 962541384 /nfs/dbraw/zinc/54/13/84/962541384.db2.gz CZXVDKRKNQHHJK-HNNXBMFYSA-N 0 3 278.396 3.409 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588593927 963286410 /nfs/dbraw/zinc/28/64/10/963286410.db2.gz NCGCFJMAJOVHPX-UHFFFAOYSA-N 0 3 299.422 3.353 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588593927 963286418 /nfs/dbraw/zinc/28/64/18/963286418.db2.gz NCGCFJMAJOVHPX-UHFFFAOYSA-N 0 3 299.422 3.353 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588593927 963286430 /nfs/dbraw/zinc/28/64/30/963286430.db2.gz NCGCFJMAJOVHPX-UHFFFAOYSA-N 0 3 299.422 3.353 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588593927 963286440 /nfs/dbraw/zinc/28/64/40/963286440.db2.gz NCGCFJMAJOVHPX-UHFFFAOYSA-N 0 3 299.422 3.353 20 30 CGEDHN C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001588541968 963288235 /nfs/dbraw/zinc/28/82/35/963288235.db2.gz VFSVECHYSOMTJM-CMPLNLGQSA-N 0 3 289.358 3.011 20 30 CGEDHN C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001588541968 963288241 /nfs/dbraw/zinc/28/82/41/963288241.db2.gz VFSVECHYSOMTJM-CMPLNLGQSA-N 0 3 289.358 3.011 20 30 CGEDHN N#Cc1ccc(CNC2CCC(O)(c3ccccc3)CC2)o1 ZINC000273820196 192321742 /nfs/dbraw/zinc/32/17/42/192321742.db2.gz OJMLUCJYOXRLDW-UHFFFAOYSA-N 0 3 296.370 3.071 20 30 CGEDHN C=CCCCN(C)Cc1cc(F)c(OC)cc1OC ZINC000651642642 398260965 /nfs/dbraw/zinc/26/09/65/398260965.db2.gz AKVBQHYSNCFGOE-UHFFFAOYSA-N 0 3 267.344 3.241 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H](c3ccccc3)C2)ccn1 ZINC000590118861 346828842 /nfs/dbraw/zinc/82/88/42/346828842.db2.gz RBKRYNUPEJLSJK-QGZVFWFLSA-N 0 3 277.371 3.333 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](CO)c2ccccc2OC)C1 ZINC000651713716 398273988 /nfs/dbraw/zinc/27/39/88/398273988.db2.gz APZHKDLASDBAID-YCPHGPKFSA-N 0 3 275.392 3.063 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nn(C)c3ccccc23)C1 ZINC000651762421 398284153 /nfs/dbraw/zinc/28/41/53/398284153.db2.gz UIFXKDIPYQGCLV-KBPBESRZSA-N 0 3 269.392 3.408 20 30 CGEDHN CC[C@H](CSC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358578624 529415654 /nfs/dbraw/zinc/41/56/54/529415654.db2.gz VVIZUJXLYMKCND-CMPLNLGQSA-N 0 3 266.385 3.490 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1ccnc(C#N)c1 ZINC000590971626 346892374 /nfs/dbraw/zinc/89/23/74/346892374.db2.gz ANQMRPQXYBHCSO-CYBMUJFWSA-N 0 3 283.350 3.155 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cccc(Cl)c3C2)CCC1 ZINC000591357683 346916853 /nfs/dbraw/zinc/91/68/53/346916853.db2.gz KHKYEIKUEKKCSN-ZDUSSCGKSA-N 0 3 274.795 3.481 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623237155 349770577 /nfs/dbraw/zinc/77/05/77/349770577.db2.gz RVUWIDOJKJDFGP-YOEHRIQHSA-N 0 3 286.419 3.424 20 30 CGEDHN CN(C)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccco1 ZINC000353391356 282250255 /nfs/dbraw/zinc/25/02/55/282250255.db2.gz WXZOFLPPIWCKIU-DLBZAZTESA-N 0 3 295.386 3.031 20 30 CGEDHN CC1(CN2CCN(c3cccc(F)c3C#N)CC2)CCC1 ZINC000340284785 136398129 /nfs/dbraw/zinc/39/81/29/136398129.db2.gz BHJNKYZWGVQQER-UHFFFAOYSA-N 0 3 287.382 3.010 20 30 CGEDHN C=CC[C@@H](CO)CNCc1csc(C(F)(F)F)c1 ZINC000623483669 349817719 /nfs/dbraw/zinc/81/77/19/349817719.db2.gz NKQMNYLIWOGLDC-SECBINFHSA-N 0 3 279.327 3.041 20 30 CGEDHN C=CCCCNCc1cc(OCC)c(OC)cc1F ZINC000623510383 349823277 /nfs/dbraw/zinc/82/32/77/349823277.db2.gz VDCVEVRHTCYWFM-UHFFFAOYSA-N 0 3 267.344 3.289 20 30 CGEDHN CCCc1cc(N2CC[C@](O)(CC#N)C2)c2ccccc2n1 ZINC000591973142 346952152 /nfs/dbraw/zinc/95/21/52/346952152.db2.gz CBLBSVQKGJOXAE-GOSISDBHSA-N 0 3 295.386 3.042 20 30 CGEDHN C=CC(C)(C)CCNCc1c(C(F)(F)F)cnn1C ZINC000623593165 349843463 /nfs/dbraw/zinc/84/34/63/349843463.db2.gz WSNBVQNWZVGPOQ-UHFFFAOYSA-N 0 3 275.318 3.131 20 30 CGEDHN CCC[C@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000592106392 346963276 /nfs/dbraw/zinc/96/32/76/346963276.db2.gz HSYDZOVNBJBQFJ-XJKSGUPXSA-N 0 3 257.381 3.402 20 30 CGEDHN CC(C)(C#N)CCCN[C@H](CCO)c1ccccc1F ZINC000592159123 346967596 /nfs/dbraw/zinc/96/75/96/346967596.db2.gz CIZXOTVHCUCXKL-OAHLLOKOSA-N 0 3 278.371 3.169 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)o1 ZINC000126944640 187272290 /nfs/dbraw/zinc/27/22/90/187272290.db2.gz XAAMOGXXSCJVPM-CQSZACIVSA-N 0 3 284.334 3.355 20 30 CGEDHN CCN(Cc1ccncc1C#N)[C@H]1CCCC[C@H]1C ZINC000592117071 346964475 /nfs/dbraw/zinc/96/44/75/346964475.db2.gz WSESQWBTYLDWNM-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CO1 ZINC000592366172 346979539 /nfs/dbraw/zinc/97/95/39/346979539.db2.gz ZUEXBUBEQHPBNE-KDOFPFPSSA-N 0 3 292.382 3.492 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000592392110 346982473 /nfs/dbraw/zinc/98/24/73/346982473.db2.gz AEJQTFXZDRPDNO-ZYHUDNBSSA-N 0 3 294.301 3.180 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000593032315 347030301 /nfs/dbraw/zinc/03/03/01/347030301.db2.gz XDCZFZCIQRBUCC-ABIUDSBCSA-N 0 3 285.347 3.135 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC12CCCC2 ZINC000593038958 347031019 /nfs/dbraw/zinc/03/10/19/347031019.db2.gz OLHCPAPERVDSOZ-UHFFFAOYSA-N 0 3 256.349 3.085 20 30 CGEDHN C[C@@]1(c2cccc(F)c2)CCN(CCCCC#N)C1 ZINC000593046857 347031915 /nfs/dbraw/zinc/03/19/15/347031915.db2.gz UFAOCBODKBLRBW-MRXNPFEDSA-N 0 3 260.356 3.483 20 30 CGEDHN CCCCN1CCC(Nc2cc(C(C)=O)ccc2C#N)CC1 ZINC000273224065 192079827 /nfs/dbraw/zinc/07/98/27/192079827.db2.gz PUFHEVMZDFOQIW-UHFFFAOYSA-N 0 3 299.418 3.437 20 30 CGEDHN C[C@H](NCc1ccc(O)cc1)c1ccc(C#N)cc1 ZINC000035256331 344941764 /nfs/dbraw/zinc/94/17/64/344941764.db2.gz ZQDLEWNBLHRVSN-LBPRGKRZSA-N 0 3 252.317 3.115 20 30 CGEDHN CN(C)Cc1ccccc1NC(=O)c1cccc(CC#N)c1 ZINC000052666055 345107120 /nfs/dbraw/zinc/10/71/20/345107120.db2.gz FWBAIWJWBXROPM-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)C(C)C ZINC000067661298 345328261 /nfs/dbraw/zinc/32/82/61/345328261.db2.gz JCMGHYDPASLPSH-HNNXBMFYSA-N 0 3 293.455 3.038 20 30 CGEDHN N#CCSCCCN1CC[C@@H](c2ccccc2F)C1 ZINC000074990507 345489767 /nfs/dbraw/zinc/48/97/67/345489767.db2.gz HXFIQLVDLQGNOB-CYBMUJFWSA-N 0 3 278.396 3.262 20 30 CGEDHN COc1ccc(CN2CC[C@H](C)C2)cc1OCCCC#N ZINC000092471602 345841778 /nfs/dbraw/zinc/84/17/78/345841778.db2.gz BAUQFHZJCXJYEW-AWEZNQCLSA-N 0 3 288.391 3.220 20 30 CGEDHN N#Cc1ccc(F)cc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000160983864 232247441 /nfs/dbraw/zinc/24/74/41/232247441.db2.gz LFLCOGMELZIYJS-ZIAGYGMSSA-N 0 3 258.340 3.319 20 30 CGEDHN Cc1cc(C#N)ccc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000161348391 232249352 /nfs/dbraw/zinc/24/93/52/232249352.db2.gz HHXHUVHNEHAGOQ-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN CN(Cc1cc(C#N)ccc1F)CC(C)(C)CCC#N ZINC000155399650 346153335 /nfs/dbraw/zinc/15/33/35/346153335.db2.gz OEIRKQGAGUVVFF-UHFFFAOYSA-N 0 3 273.355 3.459 20 30 CGEDHN Cc1cccc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000280186966 346417624 /nfs/dbraw/zinc/41/76/24/346417624.db2.gz RZULWXXMUKGBDB-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN COc1ccc2c(c1)C1(CC1)CN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000293542518 346431574 /nfs/dbraw/zinc/43/15/74/346431574.db2.gz KJUWFSRHWROQKC-DZGCQCFKSA-N 0 3 282.387 3.235 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000335999284 346497623 /nfs/dbraw/zinc/49/76/23/346497623.db2.gz NVDPMJCSUKAQDD-KSSFIOAISA-N 0 3 290.366 3.320 20 30 CGEDHN COC[C@@H](CC(C)(C)C)NCc1ccc(C#N)c(OC)c1 ZINC000593630429 347097334 /nfs/dbraw/zinc/09/73/34/347097334.db2.gz NZEIHPSRUIDJQU-OAHLLOKOSA-N 0 3 290.407 3.108 20 30 CGEDHN COc1cccc2c1CC[C@@H](NCC1(C#N)CCCC1)C2 ZINC000593654476 347100788 /nfs/dbraw/zinc/10/07/88/347100788.db2.gz CRLDTSFRKBTHOJ-OAHLLOKOSA-N 0 3 284.403 3.226 20 30 CGEDHN COc1ccc(OCCN2CCC(CCC#N)CC2)cc1 ZINC000399296267 346587706 /nfs/dbraw/zinc/58/77/06/346587706.db2.gz CWYZWOMDZOUTMT-UHFFFAOYSA-N 0 3 288.391 3.090 20 30 CGEDHN CCCCCCCCCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000584649960 346704593 /nfs/dbraw/zinc/70/45/93/346704593.db2.gz ICQMVFSCRKNRHU-INIZCTEOSA-N 0 3 297.487 3.473 20 30 CGEDHN COC(C)(C)[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000585726517 346727883 /nfs/dbraw/zinc/72/78/83/346727883.db2.gz NYVTWBLHMMRJGY-JTQLQIEISA-N 0 3 266.772 3.115 20 30 CGEDHN N#C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000585717918 346727202 /nfs/dbraw/zinc/72/72/02/346727202.db2.gz XCLZBLGMOKHSJB-HOTGVXAUSA-N 0 3 289.810 3.075 20 30 CGEDHN CC[C@H](NCc1cc(C#N)ccc1OC)[C@H]1CCCCO1 ZINC000594044943 347144284 /nfs/dbraw/zinc/14/42/84/347144284.db2.gz VLQWMJXDRVNKKP-DOTOQJQBSA-N 0 3 288.391 3.004 20 30 CGEDHN N#Cc1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000594600442 347199901 /nfs/dbraw/zinc/19/99/01/347199901.db2.gz LFSXTGIYKUIPSA-HOTGVXAUSA-N 0 3 273.355 3.126 20 30 CGEDHN CCC(CC)Nc1ccncc1NC(=O)CCCCC#N ZINC000594361561 347171606 /nfs/dbraw/zinc/17/16/06/347171606.db2.gz CXVSLHZGVDQYPD-UHFFFAOYSA-N 0 3 288.395 3.126 20 30 CGEDHN N#CCCCCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000594441339 347174730 /nfs/dbraw/zinc/17/47/30/347174730.db2.gz GOGPIOUFALXGGP-UHFFFAOYSA-N 0 3 299.296 3.187 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)cc1F ZINC000594509750 347183368 /nfs/dbraw/zinc/18/33/68/347183368.db2.gz MDBNQQSKJYQVTL-SJORKVTESA-N 0 3 288.366 3.135 20 30 CGEDHN C[C@@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)[C@@H](C)O1 ZINC000594517278 347186757 /nfs/dbraw/zinc/18/67/57/347186757.db2.gz KDJQKGAREJHSOQ-IOASZLSFSA-N 0 3 270.376 3.093 20 30 CGEDHN C=CCSCCNCc1ccc(F)c(F)c1F ZINC000594923507 347230920 /nfs/dbraw/zinc/23/09/20/347230920.db2.gz YMUJPXKWOWXAKQ-UHFFFAOYSA-N 0 3 261.312 3.113 20 30 CGEDHN CC[C@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000594952615 347239337 /nfs/dbraw/zinc/23/93/37/347239337.db2.gz XLLYGIGUVHPUTL-CVEARBPZSA-N 0 3 270.376 3.095 20 30 CGEDHN CC[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CO1 ZINC000594959072 347241018 /nfs/dbraw/zinc/24/10/18/347241018.db2.gz RZQXJEKWTNUJNG-ARFHVFGLSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@@]1(CCNCc2ccc(C#N)cc2F)CC1(F)F ZINC000594978693 347247685 /nfs/dbraw/zinc/24/76/85/347247685.db2.gz VNIWRTFTHRQRCZ-CYBMUJFWSA-N 0 3 268.282 3.222 20 30 CGEDHN CC[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)CCO1 ZINC000594982101 347248523 /nfs/dbraw/zinc/24/85/23/347248523.db2.gz YPEKZCZOUDVCKO-UONOGXRCSA-N 0 3 250.386 3.008 20 30 CGEDHN CO[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC000595297022 347288658 /nfs/dbraw/zinc/28/86/58/347288658.db2.gz OXMWGQWHWLVZDM-SFHVURJKSA-N 0 3 284.403 3.338 20 30 CGEDHN CC(C)N1CCCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595308112 347290103 /nfs/dbraw/zinc/29/01/03/347290103.db2.gz ZIBXZOYYMZKKNV-MRXNPFEDSA-N 0 3 291.826 3.321 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)OC)o1 ZINC000595007114 347255438 /nfs/dbraw/zinc/25/54/38/347255438.db2.gz GEKYJQMTIDELNW-OCCSQVGLSA-N 0 3 277.364 3.291 20 30 CGEDHN C=CCCSCCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000595058324 347273417 /nfs/dbraw/zinc/27/34/17/347273417.db2.gz HPAHODBLDURFEA-GFCCVEGCSA-N 0 3 279.405 3.375 20 30 CGEDHN C[C@H](COc1c(F)cccc1F)N[C@@H]1CC[C@@H](C#N)C1 ZINC000595071879 347276705 /nfs/dbraw/zinc/27/67/05/347276705.db2.gz CEJDQGLEJRAXPF-IJLUTSLNSA-N 0 3 280.318 3.014 20 30 CGEDHN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000595104264 347284073 /nfs/dbraw/zinc/28/40/73/347284073.db2.gz RMTWLGLPFJBULQ-PMUMKWKESA-N 0 3 280.371 3.331 20 30 CGEDHN CCc1ccc(CCN2CCC[C@@H](CC#N)C2)cc1 ZINC000595614355 347327126 /nfs/dbraw/zinc/32/71/26/347327126.db2.gz KZHDPYNVVBMHFS-KRWDZBQOSA-N 0 3 256.393 3.417 20 30 CGEDHN N#Cc1ccc(OCCN2CCC(c3ccco3)CC2)cc1 ZINC000595618888 347328376 /nfs/dbraw/zinc/32/83/76/347328376.db2.gz URAVKXVIZIJKRH-UHFFFAOYSA-N 0 3 296.370 3.410 20 30 CGEDHN N#CC[C@@H]1CCCN(CCc2nsc3ccccc32)C1 ZINC000595618445 347328524 /nfs/dbraw/zinc/32/85/24/347328524.db2.gz YCYVWHQPGIBAHH-ZDUSSCGKSA-N 0 3 285.416 3.464 20 30 CGEDHN COc1ccc([C@@H](C)CN2CCC[C@H](CC#N)C2)cc1 ZINC000595623949 347329321 /nfs/dbraw/zinc/32/93/21/347329321.db2.gz ZKUSGADEHPZLRZ-LSDHHAIUSA-N 0 3 272.392 3.424 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000595659351 347334550 /nfs/dbraw/zinc/33/45/50/347334550.db2.gz NAWHMGGKXIBBDR-CYBMUJFWSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC000595659068 347334604 /nfs/dbraw/zinc/33/46/04/347334604.db2.gz JEXDURSXMLWQAO-CYBMUJFWSA-N 0 3 277.364 3.163 20 30 CGEDHN COc1cccc2c1CCN(CCc1ccc(C#N)cc1)C2 ZINC000595428094 347302239 /nfs/dbraw/zinc/30/22/39/347302239.db2.gz ZZHMXHQPSRCNEH-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN N#CC1(c2ccccn2)CCN(CCC2CCC2)CC1 ZINC000595471823 347308317 /nfs/dbraw/zinc/30/83/17/347308317.db2.gz DOUZWWAVHRLHLT-UHFFFAOYSA-N 0 3 269.392 3.129 20 30 CGEDHN CCn1cc(CN(CCc2ccc(C#N)cc2)C(C)C)cn1 ZINC000595556735 347319134 /nfs/dbraw/zinc/31/91/34/347319134.db2.gz CNNRJVKAKJQASO-UHFFFAOYSA-N 0 3 296.418 3.228 20 30 CGEDHN CC[C@H](C)N(CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595594016 347322863 /nfs/dbraw/zinc/32/28/63/347322863.db2.gz WDHOOORKXCWEBQ-LBPRGKRZSA-N 0 3 284.363 3.229 20 30 CGEDHN N#Cc1ccc(CCN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000595830499 347361954 /nfs/dbraw/zinc/36/19/54/347361954.db2.gz GILCBLZOTIIEJW-LJQANCHMSA-N 0 3 292.382 3.254 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cnccc2C(F)(F)F)C1 ZINC000596117452 347385484 /nfs/dbraw/zinc/38/54/84/347385484.db2.gz GPKCLUWCGIIQQB-JQWIXIFHSA-N 0 3 283.297 3.272 20 30 CGEDHN N#CC[C@H]1CCCN(CCCc2ccc3c(c2)CCO3)C1 ZINC000597177522 347545150 /nfs/dbraw/zinc/54/51/50/347545150.db2.gz OCMUTUZMDVGLCF-MRXNPFEDSA-N 0 3 284.403 3.180 20 30 CGEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598234579 347637458 /nfs/dbraw/zinc/63/74/58/347637458.db2.gz TYLNVTGIXKWEKD-HOTGVXAUSA-N 0 3 270.376 3.064 20 30 CGEDHN N#CC1(c2ccc(CN3CC(CC4CC4)C3)cc2)CC1 ZINC000598678753 347678122 /nfs/dbraw/zinc/67/81/22/347678122.db2.gz SLFQKZMIJQLORB-UHFFFAOYSA-N 0 3 266.388 3.474 20 30 CGEDHN C=C[C@H](C)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598967585 347701632 /nfs/dbraw/zinc/70/16/32/347701632.db2.gz HSABINHRORRQGE-JTQLQIEISA-N 0 3 267.394 3.368 20 30 CGEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)[C@H]1CCCCO1 ZINC000599055913 347711522 /nfs/dbraw/zinc/71/15/22/347711522.db2.gz UJDUZADRDQVIBA-WMLDXEAASA-N 0 3 284.403 3.485 20 30 CGEDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598586092 347666893 /nfs/dbraw/zinc/66/68/93/347666893.db2.gz COLUIYMSCXYOJI-DGCLKSJQSA-N 0 3 296.361 3.258 20 30 CGEDHN C[C@@H](c1ccco1)N(C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598598416 347669482 /nfs/dbraw/zinc/66/94/82/347669482.db2.gz RKJYKEZPOHLYKE-GXTWGEPZSA-N 0 3 276.380 3.106 20 30 CGEDHN Cc1cccc(C2=CCN(C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598601998 347669981 /nfs/dbraw/zinc/66/99/81/347669981.db2.gz YQPYEYBMYDXOPO-SFHVURJKSA-N 0 3 298.430 3.385 20 30 CGEDHN C/C(=C/c1ccccc1)CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598612046 347671484 /nfs/dbraw/zinc/67/14/84/347671484.db2.gz YHIUHLPOBUHQIF-MJSCBBHESA-N 0 3 286.419 3.322 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNC1(c2ccccc2F)CCC1 ZINC000598626423 347673221 /nfs/dbraw/zinc/67/32/21/347673221.db2.gz WCAVYUSMYVKHFX-ZDUSSCGKSA-N 0 3 290.382 3.095 20 30 CGEDHN Cc1ccc(CN2CCC[C@@]3(CCCOC3)C2)cc1C#N ZINC000599307852 347734570 /nfs/dbraw/zinc/73/45/70/347734570.db2.gz NJSZOCFIXMNCGF-GOSISDBHSA-N 0 3 284.403 3.259 20 30 CGEDHN CO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)CC1(C)C ZINC000599433172 347744613 /nfs/dbraw/zinc/74/46/13/347744613.db2.gz CKTGAAHHIPUPAI-INIZCTEOSA-N 0 3 272.392 3.114 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCCC(F)(F)CC1 ZINC000599552087 347753571 /nfs/dbraw/zinc/75/35/71/347753571.db2.gz FHOAOOFUXZUCND-UHFFFAOYSA-N 0 3 264.319 3.488 20 30 CGEDHN CC(C)(C#N)CCCCN1CCc2nc(C3CC3)ncc2C1 ZINC000599619604 347758684 /nfs/dbraw/zinc/75/86/84/347758684.db2.gz LKNOIDOHTSSASS-UHFFFAOYSA-N 0 3 298.434 3.432 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC000600688750 347828458 /nfs/dbraw/zinc/82/84/58/347828458.db2.gz QHBLQLKPUODXFB-CYBMUJFWSA-N 0 3 280.371 3.393 20 30 CGEDHN C[C@@]1(c2ccccc2)CC[C@@H](N2CCN(CCC#N)CC2)C1 ZINC000601316375 347890917 /nfs/dbraw/zinc/89/09/17/347890917.db2.gz KNRAEIDYFSIYNP-RTBURBONSA-N 0 3 297.446 3.028 20 30 CGEDHN N#CC1(C[C@@H](O)CNCc2ccc(Cl)c(Cl)c2)CC1 ZINC000601960129 347929356 /nfs/dbraw/zinc/92/93/56/347929356.db2.gz PBWOTPIESGOVDE-LLVKDONJSA-N 0 3 299.201 3.138 20 30 CGEDHN Cc1ccsc1CCNCc1cccc(F)c1C#N ZINC000602015298 347933464 /nfs/dbraw/zinc/93/34/64/347933464.db2.gz KPSYCUOLQJAXAQ-UHFFFAOYSA-N 0 3 274.364 3.400 20 30 CGEDHN CC(C)(CCC#N)CNCc1nc2cc(F)ccc2o1 ZINC000602018251 347933588 /nfs/dbraw/zinc/93/35/88/347933588.db2.gz WSXCPURVABWPGG-UHFFFAOYSA-N 0 3 275.327 3.386 20 30 CGEDHN N#Cc1c(F)cccc1CNCCCc1ccco1 ZINC000602028838 347934737 /nfs/dbraw/zinc/93/47/37/347934737.db2.gz QPTIVBRBDHJZFW-UHFFFAOYSA-N 0 3 258.296 3.013 20 30 CGEDHN CC(C#N)C(=O)N[C@H](CCc1ccccc1)c1ccccn1 ZINC000601715144 347909400 /nfs/dbraw/zinc/90/94/00/347909400.db2.gz OYWMNITWXFFCCJ-WMLDXEAASA-N 0 3 293.370 3.031 20 30 CGEDHN CC(C#N)C(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC000601746928 347911391 /nfs/dbraw/zinc/91/13/91/347911391.db2.gz WBCPPRJIOIVJBP-QAPCUYQASA-N 0 3 282.387 3.231 20 30 CGEDHN CC(C)N(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602423721 347955325 /nfs/dbraw/zinc/95/53/25/347955325.db2.gz DJSRHGCVGSBFLQ-UHFFFAOYSA-N 0 3 265.360 3.364 20 30 CGEDHN C[C@H](CCC#N)CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000602448042 347960149 /nfs/dbraw/zinc/96/01/49/347960149.db2.gz QNHYQJWYAUJGAE-OAHLLOKOSA-N 0 3 294.402 3.170 20 30 CGEDHN N#Cc1cccc(CNCC2(c3ccc(Cl)cc3)CC2)n1 ZINC000602531806 347976900 /nfs/dbraw/zinc/97/69/00/347976900.db2.gz KSBLAQUTKVOELP-UHFFFAOYSA-N 0 3 297.789 3.428 20 30 CGEDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cc1cccc(C#N)n1 ZINC000602477940 347965301 /nfs/dbraw/zinc/96/53/01/347965301.db2.gz UTXATQGLAHAEKG-DOTOQJQBSA-N 0 3 291.398 3.406 20 30 CGEDHN CCS[C@H]1CC[C@H](N(C)Cc2cccc(C#N)n2)C1 ZINC000602485908 347967864 /nfs/dbraw/zinc/96/78/64/347967864.db2.gz RRNWOACYVCEZGF-GJZGRUSLSA-N 0 3 275.421 3.059 20 30 CGEDHN C[C@H](CCC#N)CNCc1cc(-c2ccccc2)on1 ZINC000602525022 347976129 /nfs/dbraw/zinc/97/61/29/347976129.db2.gz CWVXRHIZAMOYBE-CYBMUJFWSA-N 0 3 269.348 3.371 20 30 CGEDHN Cc1csc([C@H](NC[C@H](C)CCC#N)C2CC2)n1 ZINC000602566799 347984100 /nfs/dbraw/zinc/98/41/00/347984100.db2.gz KONLFZBPXBEHQF-ZWNOBZJWSA-N 0 3 263.410 3.432 20 30 CGEDHN C[C@H](CCC#N)CNC(C)(C)c1nc2ccccc2n1C ZINC000602617113 347994780 /nfs/dbraw/zinc/99/47/80/347994780.db2.gz ALYKPVMXBFQIPG-CYBMUJFWSA-N 0 3 284.407 3.338 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000602613802 347994941 /nfs/dbraw/zinc/99/49/41/347994941.db2.gz WMBUPQBPZZMHTF-JWZBEHFJSA-N 0 3 272.392 3.469 20 30 CGEDHN CO[C@@H](CN[C@@H]1CCc2cc(C#N)ccc21)CC(C)C ZINC000602640298 347999272 /nfs/dbraw/zinc/99/92/72/347999272.db2.gz MQSMDXNYZYZUJK-NVXWUHKLSA-N 0 3 272.392 3.196 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602645234 348000040 /nfs/dbraw/zinc/00/00/40/348000040.db2.gz QOPYYEZIQGTNTE-CYBMUJFWSA-N 0 3 257.381 3.211 20 30 CGEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)CC1(CC#N)CC1 ZINC000602794727 348030105 /nfs/dbraw/zinc/03/01/05/348030105.db2.gz JHPRDQUSAWUZRP-XJKSGUPXSA-N 0 3 270.376 3.004 20 30 CGEDHN C[C@@H](CCC#N)CN[C@@H](C)c1nccn1-c1ccccc1 ZINC000602667824 348004915 /nfs/dbraw/zinc/00/49/15/348004915.db2.gz UJBBRNMSCHGSKH-GJZGRUSLSA-N 0 3 282.391 3.463 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602688342 348009831 /nfs/dbraw/zinc/00/98/31/348009831.db2.gz AZHWKFWNBOQWJG-IRXDYDNUSA-N 0 3 285.435 3.133 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)n1)CC(F)(F)F ZINC000602715001 348016466 /nfs/dbraw/zinc/01/64/66/348016466.db2.gz KXTSINDFJGULJA-UHFFFAOYSA-N 0 3 271.286 3.021 20 30 CGEDHN CO[C@@H](CNCC1(C#N)CCCCC1)C1CCCC1 ZINC000602715702 348016496 /nfs/dbraw/zinc/01/64/96/348016496.db2.gz HCEADPATIBAERS-HNNXBMFYSA-N 0 3 264.413 3.255 20 30 CGEDHN N#Cc1cccc(CNCC2(C(F)(F)F)CCCC2)n1 ZINC000602731222 348020248 /nfs/dbraw/zinc/02/02/48/348020248.db2.gz SXKUGAJSMQWRHM-UHFFFAOYSA-N 0 3 283.297 3.166 20 30 CGEDHN CN(Cc1ccc(OC(F)F)cc1)CC1(CC#N)CC1 ZINC000602756105 348024172 /nfs/dbraw/zinc/02/41/72/348024172.db2.gz LAYABJAFWNZUHF-UHFFFAOYSA-N 0 3 280.318 3.414 20 30 CGEDHN N#CCC1(CN2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000602773120 348026602 /nfs/dbraw/zinc/02/66/02/348026602.db2.gz QKZYOZJYCNDVOH-MRXNPFEDSA-N 0 3 270.376 3.144 20 30 CGEDHN CCc1nc([C@@H](C)NC[C@H](C)CCC#N)cs1 ZINC000602553935 347980675 /nfs/dbraw/zinc/98/06/75/347980675.db2.gz LJWZWMORQFEDPT-GHMZBOCLSA-N 0 3 251.399 3.296 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 ZINC000602556304 347981301 /nfs/dbraw/zinc/98/13/01/347981301.db2.gz KZNVXJWTJOXXBH-MELADBBJSA-N 0 3 255.365 3.012 20 30 CGEDHN C[C@@H]1C[C@@H](c2cccnc2)N(CC2(CC#N)CC2)C1 ZINC000602807043 348032174 /nfs/dbraw/zinc/03/21/74/348032174.db2.gz HJXOYDFZOFKVDU-HIFRSBDPSA-N 0 3 255.365 3.158 20 30 CGEDHN Cn1cc(C2=CCCN(CCC3(C#N)CCCCC3)C2)cn1 ZINC000602883949 348041101 /nfs/dbraw/zinc/04/11/01/348041101.db2.gz TVORWBVBNZJBLT-UHFFFAOYSA-N 0 3 298.434 3.373 20 30 CGEDHN COc1cccc(C2(NCC3(CC#N)CC3)CCC2)c1 ZINC000602902353 348041910 /nfs/dbraw/zinc/04/19/10/348041910.db2.gz IEBGPWUTSLTDRR-UHFFFAOYSA-N 0 3 270.376 3.358 20 30 CGEDHN CN(C[C@H]1CCc2ccccc21)CC1(CC#N)CC1 ZINC000602904104 348042494 /nfs/dbraw/zinc/04/24/94/348042494.db2.gz IXALAPZXRMKQFX-OAHLLOKOSA-N 0 3 254.377 3.342 20 30 CGEDHN COc1ccc(C(C)(C)NCC2(CC#N)CC2)cc1F ZINC000602916738 348043187 /nfs/dbraw/zinc/04/31/87/348043187.db2.gz VARXBZKBILRTBM-UHFFFAOYSA-N 0 3 276.355 3.353 20 30 CGEDHN CN(C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602981902 348051683 /nfs/dbraw/zinc/05/16/83/348051683.db2.gz KYVCRFACQOPWIA-QZWWFDLISA-N 0 3 254.377 3.414 20 30 CGEDHN C[C@H]1c2ccccc2OCCN1CCCSCC#N ZINC000610412589 348382468 /nfs/dbraw/zinc/38/24/68/348382468.db2.gz AUUSDYBMXOHVTG-ZDUSSCGKSA-N 0 3 276.405 3.089 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000610947122 348411483 /nfs/dbraw/zinc/41/14/83/348411483.db2.gz SWSJZSNVPZEKPF-MRXNPFEDSA-N 0 3 290.382 3.382 20 30 CGEDHN CN(CCCCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991777 348414197 /nfs/dbraw/zinc/41/41/97/348414197.db2.gz JJRCTTXHSNPACK-UHFFFAOYSA-N 0 3 279.387 3.408 20 30 CGEDHN CCN(CCc1cccs1)Cc1ccnc(C#N)c1 ZINC000610992176 348415053 /nfs/dbraw/zinc/41/50/53/348415053.db2.gz IOGIIJIRHNMNAI-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@]3(CC=CCC3)C2)ccn1 ZINC000610993448 348416710 /nfs/dbraw/zinc/41/67/10/348416710.db2.gz SUWRMTVKZMDIMX-KRWDZBQOSA-N 0 3 267.376 3.276 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCC(F)(F)F ZINC000611393796 348445754 /nfs/dbraw/zinc/44/57/54/348445754.db2.gz MBSSRDAFMXDJGE-ZDUSSCGKSA-N 0 3 268.282 3.478 20 30 CGEDHN CCOCCN(CC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167315 348654203 /nfs/dbraw/zinc/65/42/03/348654203.db2.gz NSXQZENWXDLUHA-UHFFFAOYSA-N 0 3 274.408 3.346 20 30 CGEDHN COCC1=CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614221800 348660078 /nfs/dbraw/zinc/66/00/78/348660078.db2.gz KFUPMFMVMCZLSN-UHFFFAOYSA-N 0 3 284.403 3.266 20 30 CGEDHN CC1(C)CN(Cc2ccnc(C#N)c2)CC(C)(C)C1 ZINC000613500723 348611979 /nfs/dbraw/zinc/61/19/79/348611979.db2.gz WQVZNSOXQAXEQF-UHFFFAOYSA-N 0 3 257.381 3.211 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000273458314 192158620 /nfs/dbraw/zinc/15/86/20/192158620.db2.gz PZQYIFGCLPUYCH-WCBMZHEXSA-N 0 3 289.206 3.163 20 30 CGEDHN Cc1cc(C#N)ccc1CN(Cc1ccccc1)C[C@H](C)O ZINC000614400816 348673693 /nfs/dbraw/zinc/67/36/93/348673693.db2.gz HFZMYRLKVMSIHG-INIZCTEOSA-N 0 3 294.398 3.250 20 30 CGEDHN CCO[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000614461760 348677992 /nfs/dbraw/zinc/67/79/92/348677992.db2.gz VVPKOPLIVGACTK-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C(F)F)C1 ZINC000615444966 348740484 /nfs/dbraw/zinc/74/04/84/348740484.db2.gz RAIUEDILZFYPJA-GXFFZTMASA-N 0 3 250.292 3.206 20 30 CGEDHN CCn1ccc(CN(C)CCCOc2cccc(C#N)c2)c1 ZINC000616786109 348877957 /nfs/dbraw/zinc/87/79/57/348877957.db2.gz ILPUKSUNYDRKGM-UHFFFAOYSA-N 0 3 297.402 3.281 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000617784378 349012466 /nfs/dbraw/zinc/01/24/66/349012466.db2.gz RRXAWGAJEWZTCE-OAHLLOKOSA-N 0 3 286.419 3.177 20 30 CGEDHN Cc1cc(C[C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)[nH]n1 ZINC000358557647 233154458 /nfs/dbraw/zinc/15/44/58/233154458.db2.gz CHJYCMFCEBAELD-JQWIXIFHSA-N 0 3 286.354 3.011 20 30 CGEDHN Cc1cc(C[C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358557647 233154460 /nfs/dbraw/zinc/15/44/60/233154460.db2.gz CHJYCMFCEBAELD-JQWIXIFHSA-N 0 3 286.354 3.011 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@@H](OC(F)F)C1 ZINC000618304557 349068049 /nfs/dbraw/zinc/06/80/49/349068049.db2.gz PFDMOZUPUBZBPD-GFCCVEGCSA-N 0 3 274.355 3.410 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(F)c1 ZINC000618741573 349151585 /nfs/dbraw/zinc/15/15/85/349151585.db2.gz HCIKEJYNUILLNA-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN COc1ccc([C@H](C)[C@@H](C)NCC(C)(C)C#N)cc1OC ZINC000619428957 349248756 /nfs/dbraw/zinc/24/87/56/349248756.db2.gz VZFAUWSIZMRJOI-CHWSQXEVSA-N 0 3 290.407 3.335 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ncc(C)c(OC)c2C)C1 ZINC000625699546 350197381 /nfs/dbraw/zinc/19/73/81/350197381.db2.gz AIHQBYNPHUJGAI-CQSZACIVSA-N 0 3 260.381 3.105 20 30 CGEDHN C=CC[C@H]1CCN(Cc2c(C3CCC3)cnn2C)C1 ZINC000628406565 350529740 /nfs/dbraw/zinc/52/97/40/350529740.db2.gz MIPFRQTYZBEIHK-ZDUSSCGKSA-N 0 3 259.397 3.086 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628544294 350573218 /nfs/dbraw/zinc/57/32/18/350573218.db2.gz AAVUYEDJUBWNCW-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000630579005 350855038 /nfs/dbraw/zinc/85/50/38/350855038.db2.gz MRNHGRSRSDRUSI-QGZVFWFLSA-N 0 3 298.430 3.296 20 30 CGEDHN C=CCCC(C)(C)CNCc1cn(C(C)(C)C)nn1 ZINC000631222946 350996301 /nfs/dbraw/zinc/99/63/01/350996301.db2.gz ZRDBZIXLJOUQDP-UHFFFAOYSA-N 0 3 264.417 3.115 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000090451392 260359771 /nfs/dbraw/zinc/35/97/71/260359771.db2.gz VBZRTVNPTBKVSR-LBPRGKRZSA-N 0 3 267.344 3.078 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000122767686 187050435 /nfs/dbraw/zinc/05/04/35/187050435.db2.gz SDRMEXRJFYSTLJ-OLZOCXBDSA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCc1ccccn1 ZINC000122886615 187057455 /nfs/dbraw/zinc/05/74/55/187057455.db2.gz ZJJWGZGNQRDTTI-CQSZACIVSA-N 0 3 265.360 3.189 20 30 CGEDHN CCCO[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000124036947 187119922 /nfs/dbraw/zinc/11/99/22/187119922.db2.gz SZLPIMCNTVFXNH-ZDUSSCGKSA-N 0 3 278.421 3.401 20 30 CGEDHN C[C@@H](C[C@H](O)c1cccs1)NCc1ccc(C#N)cc1 ZINC000131215738 187549641 /nfs/dbraw/zinc/54/96/41/187549641.db2.gz YUZQXWUQZAHNCD-WFASDCNBSA-N 0 3 286.400 3.222 20 30 CGEDHN N#Cc1ccc(CNCC2(Cc3ccc(F)cc3)CC2)o1 ZINC000271587114 191228978 /nfs/dbraw/zinc/22/89/78/191228978.db2.gz ZGXUKVGXOGAGCO-UHFFFAOYSA-N 0 3 284.334 3.403 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)s1 ZINC000369596479 234386973 /nfs/dbraw/zinc/38/69/73/234386973.db2.gz JLQDILJOKMZIEU-ARFHVFGLSA-N 0 3 290.432 3.135 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000157379012 188313314 /nfs/dbraw/zinc/31/33/14/188313314.db2.gz JQNLUZZOTJGLGY-RHSMWYFYSA-N 0 3 282.343 3.161 20 30 CGEDHN Cc1cc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)ccc1F ZINC000271681837 191275079 /nfs/dbraw/zinc/27/50/79/191275079.db2.gz BTOAOEZGVVGYLC-ACJLOTCBSA-N 0 3 298.361 3.390 20 30 CGEDHN N#Cc1cccc(C2(NC[C@H](O)c3ccccc3F)CC2)c1 ZINC000271862076 191373980 /nfs/dbraw/zinc/37/39/80/191373980.db2.gz ZRBISQVYEKSKGR-KRWDZBQOSA-N 0 3 296.345 3.010 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CCCO)CC1 ZINC000272775583 191910954 /nfs/dbraw/zinc/91/09/54/191910954.db2.gz CWWLTERMGZFTSJ-CQSZACIVSA-N 0 3 272.392 3.104 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000110058676 283147612 /nfs/dbraw/zinc/14/76/12/283147612.db2.gz XAEZHQZSIVKDEZ-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)COC3)CC2 ZINC000353243576 283198807 /nfs/dbraw/zinc/19/88/07/283198807.db2.gz RKHKIBOJYYFPDF-LJQANCHMSA-N 0 3 290.366 3.366 20 30 CGEDHN CCc1ccc(CNCCc2cccc(C#N)c2)o1 ZINC000341448462 215973572 /nfs/dbraw/zinc/97/35/72/215973572.db2.gz BFDDSNNBYKNZQP-UHFFFAOYSA-N 0 3 254.333 3.046 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000335955899 212749067 /nfs/dbraw/zinc/74/90/67/212749067.db2.gz ZDOSUIAMADSBMO-SNVBAGLBSA-N 0 3 256.321 3.287 20 30 CGEDHN CCCN(CCC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000297973047 200311400 /nfs/dbraw/zinc/31/14/00/200311400.db2.gz VNOJVVXEQRTIIR-LBPRGKRZSA-N 0 3 291.395 3.217 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)s1)Oc1ccccc1 ZINC000176969741 189017533 /nfs/dbraw/zinc/01/75/33/189017533.db2.gz YTAGVWPRDMCEBY-GFCCVEGCSA-N 0 3 272.373 3.177 20 30 CGEDHN C[C@H]1CC[C@@](CO)(N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439450777 238255948 /nfs/dbraw/zinc/25/59/48/238255948.db2.gz WYGIJUAUAYFHAW-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN CS[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000180754275 189273629 /nfs/dbraw/zinc/27/36/29/189273629.db2.gz YHXYNKQJWPPKKM-GFCCVEGCSA-N 0 3 266.435 3.337 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cc(C#N)ccc1F ZINC000119382252 370672419 /nfs/dbraw/zinc/67/24/19/370672419.db2.gz MHNJXQBXRGGNJO-ZDUSSCGKSA-N 0 3 298.361 3.466 20 30 CGEDHN C[C@H](NCCC(=O)N1CCCCCC1)c1cccc(C#N)c1 ZINC000181634449 189302994 /nfs/dbraw/zinc/30/29/94/189302994.db2.gz YYLXEHSTDRRTJM-HNNXBMFYSA-N 0 3 299.418 3.002 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N(C)CC[C@H]1CCCCN1C ZINC000302103716 201341677 /nfs/dbraw/zinc/34/16/77/201341677.db2.gz MJTDXCFEPWIPMW-MRXNPFEDSA-N 0 3 299.418 3.071 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N[C@H](C)CN1CCCCC1 ZINC000302110198 201343649 /nfs/dbraw/zinc/34/36/49/201343649.db2.gz PGRDEALKIVENNY-CYBMUJFWSA-N 0 3 285.391 3.047 20 30 CGEDHN CC(C)(C#N)CCCN(Cc1cccnc1)C1CC1 ZINC000119759769 370707448 /nfs/dbraw/zinc/70/74/48/370707448.db2.gz DJTOBCMJAJKDJN-UHFFFAOYSA-N 0 3 257.381 3.376 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C1(C)C ZINC000120574385 370781816 /nfs/dbraw/zinc/78/18/16/370781816.db2.gz YKVXGTFHSSNLET-CVEARBPZSA-N 0 3 272.392 3.194 20 30 CGEDHN CCO[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000451551795 240324741 /nfs/dbraw/zinc/32/47/41/240324741.db2.gz XYQWVKBYMIYFPS-JJRVBVJISA-N 0 3 272.392 3.366 20 30 CGEDHN Cc1ccc(CCN[C@H](C)c2ccc(C#N)c(F)c2)nc1 ZINC000453413768 240926155 /nfs/dbraw/zinc/92/61/55/240926155.db2.gz IEFQZFAYABIYSJ-CYBMUJFWSA-N 0 3 283.350 3.294 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)CC[C@@H]1C ZINC000121102004 370828923 /nfs/dbraw/zinc/82/89/23/370828923.db2.gz MLRYVILHZVDTAB-STQMWFEESA-N 0 3 258.365 3.187 20 30 CGEDHN COc1cc(CN2CC(C3CCCC3)C2)ccc1C#N ZINC000459613557 242146794 /nfs/dbraw/zinc/14/67/94/242146794.db2.gz NEPGCVOCHVKGCZ-UHFFFAOYSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459794176 242238257 /nfs/dbraw/zinc/23/82/57/242238257.db2.gz MKJNIJQBOFOZJG-MDASCCDHSA-N 0 3 298.430 3.492 20 30 CGEDHN CCC[C@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000574191906 334999431 /nfs/dbraw/zinc/99/94/31/334999431.db2.gz LWXFHXRLSVKQPJ-DLBZAZTESA-N 0 3 269.392 3.431 20 30 CGEDHN Cc1cc(CN(C)CCOc2ccccc2)ccc1C#N ZINC000486803808 243372867 /nfs/dbraw/zinc/37/28/67/243372867.db2.gz WODVGEMSBNJJQY-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN C[C@H](NC/C=C\c1ccncc1)c1ccc(C#N)cc1 ZINC000486979095 243390291 /nfs/dbraw/zinc/39/02/91/243390291.db2.gz DGZBYIIODZHVJD-SFAKSCPVSA-N 0 3 263.344 3.317 20 30 CGEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)Nc2sccc2C#N)C1 ZINC000026469552 368859745 /nfs/dbraw/zinc/85/97/45/368859745.db2.gz QXPWCFRKNABRNX-WCQYABFASA-N 0 3 291.420 3.069 20 30 CGEDHN N#CCOc1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000035047654 368993499 /nfs/dbraw/zinc/99/34/99/368993499.db2.gz YDKLCSUFLLJTQN-SFHVURJKSA-N 0 3 278.355 3.366 20 30 CGEDHN C[C@@H](NC[C@H](c1ccco1)N(C)C)c1cccc(C#N)c1 ZINC000037218174 369077602 /nfs/dbraw/zinc/07/76/02/369077602.db2.gz NGSBTXXILRFOEZ-CZUORRHYSA-N 0 3 283.375 3.105 20 30 CGEDHN COc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000042268034 369208633 /nfs/dbraw/zinc/20/86/33/369208633.db2.gz FRZNVHIDUQNNGU-UHFFFAOYSA-N 0 3 266.344 3.199 20 30 CGEDHN CN(CCOc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000042267812 369208834 /nfs/dbraw/zinc/20/88/34/369208834.db2.gz CXXVVBMTMZWQSZ-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2ccccn2)cc1F ZINC000048540416 369357870 /nfs/dbraw/zinc/35/78/70/369357870.db2.gz ITHMYWVTPCXAJE-GFCCVEGCSA-N 0 3 254.264 3.019 20 30 CGEDHN N#Cc1ccc(NCCN2CCCCC2)cc1C(F)(F)F ZINC000049575523 369410932 /nfs/dbraw/zinc/41/09/32/369410932.db2.gz QOMLDFBDLAKSGT-UHFFFAOYSA-N 0 3 297.324 3.475 20 30 CGEDHN CC[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000128213691 370961410 /nfs/dbraw/zinc/96/14/10/370961410.db2.gz JMVCCXISAWCSEF-UMQBVGHOSA-N 0 3 284.403 3.158 20 30 CGEDHN C=CCOc1ccccc1CNCCc1nccs1 ZINC000060230191 369584973 /nfs/dbraw/zinc/58/49/73/369584973.db2.gz VFQSOAZHZXDMNP-UHFFFAOYSA-N 0 3 274.389 3.040 20 30 CGEDHN C=C(C)CN(CC)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000074020816 369869296 /nfs/dbraw/zinc/86/92/96/369869296.db2.gz YNABWUFQTUQEDE-UHFFFAOYSA-N 0 3 288.391 3.116 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CC[C@H](SCC)C1 ZINC000076069578 369928988 /nfs/dbraw/zinc/92/89/88/369928988.db2.gz DCLVGXGKQNKJRM-CABCVRRESA-N 0 3 298.496 3.017 20 30 CGEDHN C=CCCCN(C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000076733728 369942026 /nfs/dbraw/zinc/94/20/26/369942026.db2.gz JULHIPLESLBGOE-UHFFFAOYSA-N 0 3 286.419 3.076 20 30 CGEDHN N#CCCCN1CCC(OCc2ccccc2F)CC1 ZINC000091865247 370076068 /nfs/dbraw/zinc/07/60/68/370076068.db2.gz YBSNKUFHOCDYSG-UHFFFAOYSA-N 0 3 276.355 3.110 20 30 CGEDHN CCC1(CC)[C@H](N(C)Cc2ccc(C#N)o2)C[C@@H]1OC ZINC000092042884 370089438 /nfs/dbraw/zinc/08/94/38/370089438.db2.gz MCBXSFSXXZFEJW-CABCVRRESA-N 0 3 276.380 3.177 20 30 CGEDHN Cc1ccc(Cl)cc1N1CCN(CCCCC#N)CC1 ZINC000096970777 370214103 /nfs/dbraw/zinc/21/41/03/370214103.db2.gz SPDMTAQJRMETLV-UHFFFAOYSA-N 0 3 291.826 3.464 20 30 CGEDHN C[C@H](NCCOc1ccccc1)c1ccc(C#N)cc1F ZINC000512642727 245044620 /nfs/dbraw/zinc/04/46/20/245044620.db2.gz RZFLGEUOBXFDLH-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN CC[C@@H](O)[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000130350244 371027331 /nfs/dbraw/zinc/02/73/31/371027331.db2.gz NCHLIRLAWQUZHS-IAGOWNOFSA-N 0 3 291.822 3.317 20 30 CGEDHN Cc1cccc(C)c1CCNCc1ccc(C#N)o1 ZINC000132710463 371196359 /nfs/dbraw/zinc/19/63/59/371196359.db2.gz NUBPHYNMNDPCFA-UHFFFAOYSA-N 0 3 254.333 3.100 20 30 CGEDHN CC[C@H]1CCCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000134726482 371360930 /nfs/dbraw/zinc/36/09/30/371360930.db2.gz BHEYZHJAUPTBQX-INIZCTEOSA-N 0 3 285.391 3.151 20 30 CGEDHN C=CCCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288264367 371732971 /nfs/dbraw/zinc/73/29/71/371732971.db2.gz GQAMDEJAQHBMSK-LJQANCHMSA-N 0 3 298.430 3.077 20 30 CGEDHN Cc1cnn([C@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000289739474 371805846 /nfs/dbraw/zinc/80/58/46/371805846.db2.gz DWCVANYPGYHNFP-YOEHRIQHSA-N 0 3 280.375 3.071 20 30 CGEDHN CCOC1CC2(C1)CCN(Cc1ccc(C#N)s1)C2 ZINC000289747034 371808750 /nfs/dbraw/zinc/80/87/50/371808750.db2.gz QKFDABVDLGDOSE-UHFFFAOYSA-N 0 3 276.405 3.011 20 30 CGEDHN CCOC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000353344792 220037912 /nfs/dbraw/zinc/03/79/12/220037912.db2.gz MIHLTOXXNQGTIA-MLGOLLRUSA-N 0 3 278.371 3.409 20 30 CGEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)CCC1(F)F ZINC000289976158 371866846 /nfs/dbraw/zinc/86/68/46/371866846.db2.gz XJKSODMGJQATRI-CYBMUJFWSA-N 0 3 294.345 3.304 20 30 CGEDHN C=C[C@H](CO)N[C@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000289991785 371872032 /nfs/dbraw/zinc/87/20/32/371872032.db2.gz YMGFEBKADASRHC-SJLPKXTDSA-N 0 3 285.387 3.436 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2F)sc1C ZINC000155649020 371936400 /nfs/dbraw/zinc/93/64/00/371936400.db2.gz UEUXTESVXVPONH-SNVBAGLBSA-N 0 3 289.335 3.145 20 30 CGEDHN N#Cc1c(CN2CCC[C@@H](C3CC3)C2)cn2ccccc12 ZINC000344105429 217051781 /nfs/dbraw/zinc/05/17/81/217051781.db2.gz PLYYGIIPNIVXJE-OAHLLOKOSA-N 0 3 279.387 3.433 20 30 CGEDHN CC#CCN1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000157784228 372035899 /nfs/dbraw/zinc/03/58/99/372035899.db2.gz NYUWLJSCZKDCFL-UHFFFAOYSA-N 0 3 282.387 3.379 20 30 CGEDHN CN1CCC(Nc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428129375 372180284 /nfs/dbraw/zinc/18/02/84/372180284.db2.gz HNSJWLWQHYIXFN-UHFFFAOYSA-N 0 3 298.434 3.073 20 30 CGEDHN CN(Cc1cc(C#N)n(C)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291287233 372153425 /nfs/dbraw/zinc/15/34/25/372153425.db2.gz PGLVZZDTOBVLLZ-KGLIPLIRSA-N 0 3 299.340 3.450 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000428468009 372214285 /nfs/dbraw/zinc/21/42/85/372214285.db2.gz CFYXBDLZVVIFCL-CABCVRRESA-N 0 3 282.391 3.274 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@](CC)(CO)C2)cc1 ZINC000428489631 372222847 /nfs/dbraw/zinc/22/28/47/372222847.db2.gz WJISVXOXQCTOLK-GOSISDBHSA-N 0 3 289.419 3.236 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1c1cccc(OC)c1 ZINC000293432762 372381784 /nfs/dbraw/zinc/38/17/84/372381784.db2.gz JLLKFFLUBSJFRQ-MRXNPFEDSA-N 0 3 261.365 3.035 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000430727015 372393954 /nfs/dbraw/zinc/39/39/54/372393954.db2.gz XGOYFUBSJCMBKF-GFCCVEGCSA-N 0 3 297.402 3.261 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cc(F)cc(F)c1 ZINC000430741549 372394678 /nfs/dbraw/zinc/39/46/78/372394678.db2.gz JJHQDQPFBUEMCU-SNVBAGLBSA-N 0 3 250.292 3.309 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cnn(Cc2ccccc2)c1 ZINC000430737476 372394876 /nfs/dbraw/zinc/39/48/76/372394876.db2.gz BQKYSAYHMUTLMG-HNNXBMFYSA-N 0 3 294.402 3.276 20 30 CGEDHN N#Cc1csc(CNC/C=C\c2ccccc2)c1 ZINC000344341690 217158859 /nfs/dbraw/zinc/15/88/59/217158859.db2.gz MYIALSINIZPPJA-DAXSKMNVSA-N 0 3 254.358 3.423 20 30 CGEDHN CC(C)[C@@H](NCC1(CC#N)CC1)c1ccc(F)cn1 ZINC000430756091 372396155 /nfs/dbraw/zinc/39/61/55/372396155.db2.gz SBOLCHARGGOTPL-CQSZACIVSA-N 0 3 261.344 3.201 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1c1ccc(OC)cc1 ZINC000293645181 372435121 /nfs/dbraw/zinc/43/51/21/372435121.db2.gz XRUKAFZBVHYDED-MRXNPFEDSA-N 0 3 261.365 3.035 20 30 CGEDHN C#CCN(CCc1c(C)noc1C)[C@@H]1CCc2ccccc21 ZINC000164945044 372538657 /nfs/dbraw/zinc/53/86/57/372538657.db2.gz RARVLRSDPDVOEG-LJQANCHMSA-N 0 3 294.398 3.457 20 30 CGEDHN CN(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433131962 372581291 /nfs/dbraw/zinc/58/12/91/372581291.db2.gz WEXKOUGIUJPDQV-SFHVURJKSA-N 0 3 292.382 3.418 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000433110300 372582175 /nfs/dbraw/zinc/58/21/75/372582175.db2.gz ABWDQZVIIPGZHR-GDBMZVCRSA-N 0 3 293.370 3.031 20 30 CGEDHN C[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433311150 372588379 /nfs/dbraw/zinc/58/83/79/372588379.db2.gz GFVAZAXVWJFHQV-WBVHZDCISA-N 0 3 284.403 3.408 20 30 CGEDHN CC[C@H](C)[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433354501 372598568 /nfs/dbraw/zinc/59/85/68/372598568.db2.gz NJMXIXADRDNAPT-OFQRWUPVSA-N 0 3 272.392 3.310 20 30 CGEDHN Cc1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000170670693 372648319 /nfs/dbraw/zinc/64/83/19/372648319.db2.gz YCQOFZARJNYKGA-UHFFFAOYSA-N 0 3 286.400 3.483 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000438517189 372968071 /nfs/dbraw/zinc/96/80/71/372968071.db2.gz XZTGLXUYTSERPE-WBVHZDCISA-N 0 3 289.806 3.192 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000439448038 372978430 /nfs/dbraw/zinc/97/84/30/372978430.db2.gz ZGNGBVUNSQOKKG-UKRRQHHQSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000439448038 372978438 /nfs/dbraw/zinc/97/84/38/372978438.db2.gz ZGNGBVUNSQOKKG-UKRRQHHQSA-N 0 3 270.380 3.229 20 30 CGEDHN CC(C)(C)CN(CC#Cc1ccccc1Cl)CCCO ZINC000441150056 372997006 /nfs/dbraw/zinc/99/70/06/372997006.db2.gz XQPCJKCRQJZOFI-UHFFFAOYSA-N 0 3 293.838 3.422 20 30 CGEDHN CO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000296165624 373040183 /nfs/dbraw/zinc/04/01/83/373040183.db2.gz UQYCXHSNLNVOIB-XJKSGUPXSA-N 0 3 272.392 3.366 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000442657871 373061740 /nfs/dbraw/zinc/06/17/40/373061740.db2.gz WBARFZYCHDBRJU-KBAYOESNSA-N 0 3 283.419 3.105 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000442726983 373069407 /nfs/dbraw/zinc/06/94/07/373069407.db2.gz URPMQANCTDJTDZ-VHSXEESVSA-N 0 3 284.281 3.085 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000296179431 373045447 /nfs/dbraw/zinc/04/54/47/373045447.db2.gz CSSHMNXOEDKZPU-KXBFYZLASA-N 0 3 294.398 3.467 20 30 CGEDHN CC(C)CC(=O)Nc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442787692 373082105 /nfs/dbraw/zinc/08/21/05/373082105.db2.gz ICYQIZJEBNHRBJ-GOEBONIOSA-N 0 3 299.418 3.453 20 30 CGEDHN COc1ccc([C@H](OC)[C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442828329 373099807 /nfs/dbraw/zinc/09/98/07/373099807.db2.gz MRMHDVICEHWFCK-TZDHZFECSA-N 0 3 288.391 3.053 20 30 CGEDHN COc1cc(CN2CC[C@H]2Cc2ccccc2)ccc1C#N ZINC000442883936 373119706 /nfs/dbraw/zinc/11/97/06/373119706.db2.gz IMEIOSQHFBVIGJ-SFHVURJKSA-N 0 3 292.382 3.384 20 30 CGEDHN COc1cc(CN2CCCC[C@H](SC)C2)ccc1C#N ZINC000442890240 373123462 /nfs/dbraw/zinc/12/34/62/373123462.db2.gz NZRXMZBWKJEJIV-HNNXBMFYSA-N 0 3 290.432 3.284 20 30 CGEDHN C#CCOc1ccc(CN[C@H](C)c2cncc(C)c2)cc1 ZINC000296469803 373146133 /nfs/dbraw/zinc/14/61/33/373146133.db2.gz NRWMTZUFFBFDIZ-OAHLLOKOSA-N 0 3 280.371 3.253 20 30 CGEDHN N#Cc1ccc(CNCCSCc2ccccc2F)o1 ZINC000174244662 373274279 /nfs/dbraw/zinc/27/42/79/373274279.db2.gz PMIZYTGKTVDVTL-UHFFFAOYSA-N 0 3 290.363 3.313 20 30 CGEDHN CN1CCN(Cc2cccc(C#N)c2)c2ccccc2C1 ZINC000353588075 220173759 /nfs/dbraw/zinc/17/37/59/220173759.db2.gz LELAKUVAGLCQKV-UHFFFAOYSA-N 0 3 277.371 3.010 20 30 CGEDHN C#CCOc1ccc(CN[C@H](CC)c2ccncc2)cc1 ZINC000174436686 373316567 /nfs/dbraw/zinc/31/65/67/373316567.db2.gz CPTZYSQPIHKDRG-GOSISDBHSA-N 0 3 280.371 3.335 20 30 CGEDHN Cc1ccccc1O[C@H](C)CNCc1ccc(C#N)o1 ZINC000174589990 373340956 /nfs/dbraw/zinc/34/09/56/373340956.db2.gz YOZMATGLEMGBLC-CYBMUJFWSA-N 0 3 270.332 3.017 20 30 CGEDHN COc1cccc(O[C@@H](C)CNCc2cccc(C#N)c2)c1 ZINC000174587612 373341403 /nfs/dbraw/zinc/34/14/03/373341403.db2.gz RMPPUHDXGWDSJO-AWEZNQCLSA-N 0 3 296.370 3.124 20 30 CGEDHN C=CC[C@@H]1N(Cc2c[nH]c(C(=O)OC)c2)CCCC1(C)C ZINC000446830628 373367387 /nfs/dbraw/zinc/36/73/87/373367387.db2.gz VAJWBEYZQNHFIM-HNNXBMFYSA-N 0 3 290.407 3.368 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000446875019 373373564 /nfs/dbraw/zinc/37/35/64/373373564.db2.gz HPNPDSPVUWCAIG-IAQYHMDHSA-N 0 3 274.339 3.333 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1ccccc1C#N)c1cccs1 ZINC000298805870 373411203 /nfs/dbraw/zinc/41/12/03/373411203.db2.gz FDPHWZDWMCOOKE-GFCCVEGCSA-N 0 3 299.399 3.299 20 30 CGEDHN C=CCCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175404286 373463277 /nfs/dbraw/zinc/46/32/77/373463277.db2.gz RRJFWVFZCDBFMF-ACJLOTCBSA-N 0 3 265.422 3.383 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000447393044 373433751 /nfs/dbraw/zinc/43/37/51/373433751.db2.gz NNNZXAXUEOMIEU-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175834439 373527819 /nfs/dbraw/zinc/52/78/19/373527819.db2.gz IWCLSPYLJFLBDO-OLZOCXBDSA-N 0 3 251.395 3.212 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C3CC3)C2)CCCCC1 ZINC000448963848 373651101 /nfs/dbraw/zinc/65/11/01/373651101.db2.gz TVIDSSLRNRLBHD-INIZCTEOSA-N 0 3 290.451 3.208 20 30 CGEDHN CO[C@@H](C)c1nc(CNC2CCC(C)(C#N)CC2)cs1 ZINC000449175639 373667687 /nfs/dbraw/zinc/66/76/87/373667687.db2.gz KROSSAAGJQTQMX-BZUNDVKYSA-N 0 3 293.436 3.413 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H](CC)CO)cc1Cl ZINC000449379156 373684942 /nfs/dbraw/zinc/68/49/42/373684942.db2.gz ZRRAFMCVFAPHCY-ZDUSSCGKSA-N 0 3 283.799 3.108 20 30 CGEDHN N#Cc1cc(NCCN2CCCCC2)c2ccccc2n1 ZINC000301389988 373770034 /nfs/dbraw/zinc/77/00/34/373770034.db2.gz ZUIGNQIWNFDZBA-UHFFFAOYSA-N 0 3 280.375 3.004 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)cc1C ZINC000449520144 373820197 /nfs/dbraw/zinc/82/01/97/373820197.db2.gz OJSOWAKFDVIVIB-KGLIPLIRSA-N 0 3 251.757 3.082 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2c(ccc(C)c2C)[nH]1 ZINC000449523817 373821919 /nfs/dbraw/zinc/82/19/19/373821919.db2.gz YRUIGVUGKHFONU-SJORKVTESA-N 0 3 270.376 3.218 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000449546727 373830342 /nfs/dbraw/zinc/83/03/42/373830342.db2.gz DNXYRRXANVNIKJ-KGLIPLIRSA-N 0 3 267.319 3.447 20 30 CGEDHN CCN1CCCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301538406 373785525 /nfs/dbraw/zinc/78/55/25/373785525.db2.gz RKOUBKGCKKSXMD-UHFFFAOYSA-N 0 3 297.324 3.109 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OC)[C@@H](C)C2)c1 ZINC000449497016 373791239 /nfs/dbraw/zinc/79/12/39/373791239.db2.gz JTRHHSZHCQAONK-YOEHRIQHSA-N 0 3 275.392 3.108 20 30 CGEDHN C=C(CC)CNCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000449730887 373857292 /nfs/dbraw/zinc/85/72/92/373857292.db2.gz GOWUXNNEJYIALT-UHFFFAOYSA-N 0 3 271.364 3.141 20 30 CGEDHN C=C(CC)CNCc1c[nH]nc1-c1ccccc1F ZINC000449730509 373857307 /nfs/dbraw/zinc/85/73/07/373857307.db2.gz FEQGIZAYNPDIAX-UHFFFAOYSA-N 0 3 259.328 3.272 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(F)c(OC)c1 ZINC000180454983 374010161 /nfs/dbraw/zinc/01/01/61/374010161.db2.gz AZSAUGXIKBINQM-LLVKDONJSA-N 0 3 269.385 3.404 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCCCC1 ZINC000450071042 373987012 /nfs/dbraw/zinc/98/70/12/373987012.db2.gz ASNGYQXMUAIBQG-LSDHHAIUSA-N 0 3 290.451 3.254 20 30 CGEDHN C#CCSCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181100700 374080957 /nfs/dbraw/zinc/08/09/57/374080957.db2.gz MUXLXCLARXXHTN-CQSZACIVSA-N 0 3 278.377 3.002 20 30 CGEDHN N#Cc1cccc(CN(CCO)[C@H]2CCc3ccccc32)c1 ZINC000304119382 374039196 /nfs/dbraw/zinc/03/91/96/374039196.db2.gz PWOVIIQZMCLCCV-IBGZPJMESA-N 0 3 292.382 3.040 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](CC(C)C)C1 ZINC000307784163 374152234 /nfs/dbraw/zinc/15/22/34/374152234.db2.gz XUSOYFNVNCIDCC-HNNXBMFYSA-N 0 3 272.392 3.435 20 30 CGEDHN N#Cc1cccc(CN2C[C@H]3CCCC[C@@H]3C2)c1F ZINC000312070820 374267953 /nfs/dbraw/zinc/26/79/53/374267953.db2.gz HHZNRGRBQLHBFX-ZIAGYGMSSA-N 0 3 258.340 3.319 20 30 CGEDHN O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1CCCN1C1CCCC1 ZINC000329324476 374404664 /nfs/dbraw/zinc/40/46/64/374404664.db2.gz IDMAAKGHWDQPRJ-BZUAXINKSA-N 0 3 294.439 3.044 20 30 CGEDHN Cc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)c(=O)[nH]1 ZINC000329675444 374420611 /nfs/dbraw/zinc/42/06/11/374420611.db2.gz PAULAZZAHMQVHY-CQSZACIVSA-N 0 3 289.379 3.091 20 30 CGEDHN CCN1CCC[C@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC000329951421 374444509 /nfs/dbraw/zinc/44/45/09/374444509.db2.gz IFSWKVGKVPYMMC-ZDUSSCGKSA-N 0 3 291.395 3.121 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2ccc(O)cc2)CC1 ZINC000091506742 541966087 /nfs/dbraw/zinc/96/60/87/541966087.db2.gz MCDCASXMCKFCKS-HNNXBMFYSA-N 0 3 274.408 3.259 20 30 CGEDHN CC[C@H]1CC[C@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332105418 374553312 /nfs/dbraw/zinc/55/33/12/374553312.db2.gz HQELWPCVDDHPBB-WFASDCNBSA-N 0 3 296.374 3.371 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(CC(F)(F)F)CC2)C1 ZINC000334180087 374653660 /nfs/dbraw/zinc/65/36/60/374653660.db2.gz DQWGYIOQTQDEGW-VXGBXAGGSA-N 0 3 260.303 3.343 20 30 CGEDHN CC#CCCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000185406229 374657589 /nfs/dbraw/zinc/65/75/89/374657589.db2.gz SHWRWCXHSDLDOW-KRWDZBQOSA-N 0 3 296.414 3.191 20 30 CGEDHN CC[C@H]1[C@H](C)CCN1Cc1cc(C#N)ccc1OC ZINC000185680302 374712223 /nfs/dbraw/zinc/71/22/23/374712223.db2.gz FJHUPFXGYYBZRH-DOMZBBRYSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000186700391 374902178 /nfs/dbraw/zinc/90/21/78/374902178.db2.gz QWWUUSPWZUKUNO-UKRRQHHQSA-N 0 3 293.407 3.072 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000186391878 374843381 /nfs/dbraw/zinc/84/33/81/374843381.db2.gz CQYBRRHXQFWULS-DLBZAZTESA-N 0 3 290.382 3.381 20 30 CGEDHN C=C(C)[C@H](N[C@@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000186450730 374853805 /nfs/dbraw/zinc/85/38/05/374853805.db2.gz AWAINWCZLPRYSL-DOMZBBRYSA-N 0 3 267.319 3.351 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(F)cc1Cl ZINC000186711238 374904000 /nfs/dbraw/zinc/90/40/00/374904000.db2.gz JBINWADUWNEMTM-GXSJLCMTSA-N 0 3 257.736 3.067 20 30 CGEDHN C=C(C)[C@H](NC[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000479416707 375151777 /nfs/dbraw/zinc/15/17/77/375151777.db2.gz ZFXINJKGDVASOD-ABAIWWIYSA-N 0 3 267.319 3.208 20 30 CGEDHN CC#CCCNCc1ccc(OCC(F)(F)F)cc1 ZINC000482158672 375167272 /nfs/dbraw/zinc/16/72/72/375167272.db2.gz RHZGRIZZDZKMTR-UHFFFAOYSA-N 0 3 271.282 3.131 20 30 CGEDHN N#Cc1cccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000335232043 375248522 /nfs/dbraw/zinc/24/85/22/375248522.db2.gz GCCCTSHOYXRPJD-SFHVURJKSA-N 0 3 296.414 3.339 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)s1 ZINC000335420689 375278691 /nfs/dbraw/zinc/27/86/91/375278691.db2.gz DBKCOVSOMJPEKC-IUODEOHRSA-N 0 3 276.405 3.011 20 30 CGEDHN Cc1cc(CN(C)[C@@H](CO)c2ccccc2)ccc1C#N ZINC000487909423 375283452 /nfs/dbraw/zinc/28/34/52/375283452.db2.gz GFMQCOZMYZMOLA-SFHVURJKSA-N 0 3 280.371 3.032 20 30 CGEDHN C=CCCCCCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000487916129 375285125 /nfs/dbraw/zinc/28/51/25/375285125.db2.gz PZQGPWKYPJCEOY-RYUDHWBXSA-N 0 3 265.319 3.120 20 30 CGEDHN Cc1cc(CN2CCN(C)c3ccccc3C2)ccc1C#N ZINC000487927952 375285765 /nfs/dbraw/zinc/28/57/65/375285765.db2.gz HKNYRDRXODXORK-UHFFFAOYSA-N 0 3 291.398 3.319 20 30 CGEDHN C=CCCCCCN[C@@H](CO)c1cccc(F)c1 ZINC000488244725 375306395 /nfs/dbraw/zinc/30/63/95/375306395.db2.gz FIZPXMRCMQCSCG-HNNXBMFYSA-N 0 3 251.345 3.195 20 30 CGEDHN CN(Cc1ccc(F)c(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000335331981 375262722 /nfs/dbraw/zinc/26/27/22/375262722.db2.gz NVHAHRFNRKPLIZ-PWSUYJOCSA-N 0 3 250.292 3.089 20 30 CGEDHN CC(C#N)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000335369130 375266961 /nfs/dbraw/zinc/26/69/61/375266961.db2.gz SMOGPCMYIFJCSH-LRDDRELGSA-N 0 3 268.360 3.215 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCCC(F)(F)C2)o1 ZINC000491571112 375332882 /nfs/dbraw/zinc/33/28/82/375332882.db2.gz AESLODSATTWRIV-NSHDSACASA-N 0 3 268.307 3.456 20 30 CGEDHN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1CCCC#N ZINC000496530922 375541237 /nfs/dbraw/zinc/54/12/37/375541237.db2.gz DYUYTDDFPJABMN-CQSZACIVSA-N 0 3 295.427 3.059 20 30 CGEDHN N#CCC1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000335870902 375500950 /nfs/dbraw/zinc/50/09/50/375500950.db2.gz ARYITUMADBVMDJ-MRXNPFEDSA-N 0 3 276.424 3.494 20 30 CGEDHN N#CC(C(=O)c1ccc(F)cc1)c1cnc2ccccc2n1 ZINC000190895469 375547658 /nfs/dbraw/zinc/54/76/58/375547658.db2.gz XBYCXSRCOQVCOR-CYBMUJFWSA-N 0 3 291.285 3.259 20 30 CGEDHN Cc1cc(C)c(CNCc2cc(C#N)n(C)c2)c(C)c1 ZINC000190906357 375549514 /nfs/dbraw/zinc/54/95/14/375549514.db2.gz FRPBXOCQXYXMJV-UHFFFAOYSA-N 0 3 267.376 3.112 20 30 CGEDHN CCCN(Cc1ccc(C#N)c(F)c1)C[C@H]1CCCCO1 ZINC000192101840 375698279 /nfs/dbraw/zinc/69/82/79/375698279.db2.gz QRQUKMGMWSBHOE-MRXNPFEDSA-N 0 3 290.382 3.478 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192145747 375703192 /nfs/dbraw/zinc/70/31/92/375703192.db2.gz CLDHSXXOEAVBGL-CYBMUJFWSA-N 0 3 266.385 3.271 20 30 CGEDHN CC1(C#N)CCC(N[C@H]2COc3ccc(F)cc32)CC1 ZINC000336219149 375759971 /nfs/dbraw/zinc/75/99/71/375759971.db2.gz DMDWQYGHACJEOS-UGWHAMFMSA-N 0 3 274.339 3.321 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)CCc1ccc(F)cc1F ZINC000515344948 375813291 /nfs/dbraw/zinc/81/32/91/375813291.db2.gz XQLMHHBGJWAVQI-MNOVXSKESA-N 0 3 252.308 3.035 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193052587 375819955 /nfs/dbraw/zinc/81/99/55/375819955.db2.gz QQYUYZWNFZZUFL-INIZCTEOSA-N 0 3 290.363 3.155 20 30 CGEDHN C=CCCCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510724526 375787641 /nfs/dbraw/zinc/78/76/41/375787641.db2.gz YDPGRKTXMHLMQX-KRWDZBQOSA-N 0 3 257.377 3.127 20 30 CGEDHN C=C(C)COCCNC/C(C)=C\c1ccccc1COC ZINC000511631251 375791295 /nfs/dbraw/zinc/79/12/95/375791295.db2.gz VCCZURUYGNSUHU-WJDWOHSUSA-N 0 3 289.419 3.419 20 30 CGEDHN C=CCCCCCN1CCC[C@H](c2nc(C)no2)C1 ZINC000193316388 375859418 /nfs/dbraw/zinc/85/94/18/375859418.db2.gz AZPVELBZPGULRR-AWEZNQCLSA-N 0 3 263.385 3.304 20 30 CGEDHN C=CCN(CCC(C)(C)C(=O)OC)Cc1ccccc1 ZINC000525977477 375888672 /nfs/dbraw/zinc/88/86/72/375888672.db2.gz GUVCYVKGVPJHFU-UHFFFAOYSA-N 0 3 275.392 3.264 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1=CCCCC1)C(C)C ZINC000527107010 375892346 /nfs/dbraw/zinc/89/23/46/375892346.db2.gz NOUXXPOPMUOGMM-KRWDZBQOSA-N 0 3 290.451 3.302 20 30 CGEDHN CC#CCCN1CCC(Oc2cccc(F)c2)CC1 ZINC000528571410 375904351 /nfs/dbraw/zinc/90/43/51/375904351.db2.gz HWPBGNJYXSUPPO-UHFFFAOYSA-N 0 3 261.340 3.082 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2CCC=CO2)C2CC2)cc1 ZINC000193682315 375908323 /nfs/dbraw/zinc/90/83/23/375908323.db2.gz DEHVUNQECMGBFH-KRWDZBQOSA-N 0 3 268.360 3.215 20 30 CGEDHN C=CCCCN(CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000533954681 375956905 /nfs/dbraw/zinc/95/69/05/375956905.db2.gz SOAJNVZCVZGQOD-CYBMUJFWSA-N 0 3 255.402 3.395 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1cc(Br)cs1 ZINC000194173201 375967113 /nfs/dbraw/zinc/96/71/13/375967113.db2.gz JDNOOJKPASRTAB-PSASIEDQSA-N 0 3 290.226 3.098 20 30 CGEDHN CCC(C#N)(CC)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000528910244 375914479 /nfs/dbraw/zinc/91/44/79/375914479.db2.gz QGJGYQKFCMAFHY-LBPRGKRZSA-N 0 3 294.358 3.080 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3[C@H](C4CC4)[C@@H]3C)nc21 ZINC000528954421 375915514 /nfs/dbraw/zinc/91/55/14/375915514.db2.gz RYLQNEMDWOYOJZ-MMMKDXCPSA-N 0 3 293.370 3.340 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3[C@H](C4CC4)[C@@H]3C)[nH]c21 ZINC000528954421 375915520 /nfs/dbraw/zinc/91/55/20/375915520.db2.gz RYLQNEMDWOYOJZ-MMMKDXCPSA-N 0 3 293.370 3.340 20 30 CGEDHN C=CCSCCNCc1ccc(SC)s1 ZINC000336744420 375929272 /nfs/dbraw/zinc/92/92/72/375929272.db2.gz ZJGNXCFOYUDQLT-UHFFFAOYSA-N 0 3 259.465 3.479 20 30 CGEDHN CCO[C@H](CNCc1cccc(C#N)c1)c1ccccc1 ZINC000194465992 376006400 /nfs/dbraw/zinc/00/64/00/376006400.db2.gz VFJCUSWOTQPWND-GOSISDBHSA-N 0 3 280.371 3.426 20 30 CGEDHN N#Cc1ccc2ncc(CN(C3CC3)C3CCCC3)n2c1 ZINC000535069184 376018321 /nfs/dbraw/zinc/01/83/21/376018321.db2.gz AYQNBMQKGMRDHI-UHFFFAOYSA-N 0 3 280.375 3.113 20 30 CGEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O ZINC000337136182 376092503 /nfs/dbraw/zinc/09/25/03/376092503.db2.gz MWUNFURTWVIZGO-YJBOKZPZSA-N 0 3 298.430 3.074 20 30 CGEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@@H](C)CC)C1=O ZINC000337135429 376092632 /nfs/dbraw/zinc/09/26/32/376092632.db2.gz NSDNMNAJXVVIHT-RDJZCZTQSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@@H](N2CCCCC[C@H]2c2ccccc2)C1=O ZINC000337147978 376102540 /nfs/dbraw/zinc/10/25/40/376102540.db2.gz ZSWKWFWIVWEINQ-ZWKOTPCHSA-N 0 3 298.430 3.391 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(Cc2ccsc2)CC1 ZINC000536630941 376105842 /nfs/dbraw/zinc/10/58/42/376105842.db2.gz BDHWOEWOZFUQFJ-UHFFFAOYSA-N 0 3 291.464 3.196 20 30 CGEDHN C=CCN1CC[C@@H](N2CC[C@H](C)C3(CCCCC3)C2)C1=O ZINC000337216059 376143762 /nfs/dbraw/zinc/14/37/62/376143762.db2.gz YXKXEZOBHPJQBM-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN Cc1cc(C)c(C#N)c(NC[C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000221736064 376219761 /nfs/dbraw/zinc/21/97/61/376219761.db2.gz SODNIZFTNKIYFR-DOMZBBRYSA-N 0 3 286.423 3.102 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1cccs1)C(CC)CC ZINC000539278770 376302256 /nfs/dbraw/zinc/30/22/56/376302256.db2.gz GONXOQKHFADRPE-HNNXBMFYSA-N 0 3 280.437 3.117 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H](C)CC ZINC000539315783 376303654 /nfs/dbraw/zinc/30/36/54/376303654.db2.gz OMCOUADXYLPHMT-LRDDRELGSA-N 0 3 294.826 3.319 20 30 CGEDHN CS[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000227597633 376401827 /nfs/dbraw/zinc/40/18/27/376401827.db2.gz BYTVPKPQWYFSGB-KGLIPLIRSA-N 0 3 278.396 3.461 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000540995024 376412051 /nfs/dbraw/zinc/41/20/51/376412051.db2.gz GJGYTDFBYJYJQN-UHFFFAOYSA-N 0 3 298.365 3.341 20 30 CGEDHN C=C(C)COCCN[C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000540155797 376360340 /nfs/dbraw/zinc/36/03/40/376360340.db2.gz CJLGICKIVWSYKA-BLLLJJGKSA-N 0 3 263.356 3.241 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000540344421 376371539 /nfs/dbraw/zinc/37/15/39/376371539.db2.gz BIGJRSOKJYSWLY-KGLIPLIRSA-N 0 3 274.399 3.393 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CC=CCC1 ZINC000540560317 376380692 /nfs/dbraw/zinc/38/06/92/376380692.db2.gz JSMUFYVLOQMCDS-DLBZAZTESA-N 0 3 282.387 3.231 20 30 CGEDHN COc1ccc(CN2CCSC(C)(C)CC2)cc1C#N ZINC000228087498 376426507 /nfs/dbraw/zinc/42/65/07/376426507.db2.gz ALSOYAUURXZVFH-UHFFFAOYSA-N 0 3 290.432 3.284 20 30 CGEDHN C=C(C)CN(CC)C[C@H](O)COc1cc(C)ccc1Cl ZINC000543449623 376643425 /nfs/dbraw/zinc/64/34/25/376643425.db2.gz OMNHDAZLHKQTSU-AWEZNQCLSA-N 0 3 297.826 3.286 20 30 CGEDHN CC[C@@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000236987181 376722209 /nfs/dbraw/zinc/72/22/09/376722209.db2.gz PUPGYDGNUBCNIT-ZDUSSCGKSA-N 0 3 254.333 3.435 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CCC[C@@H]2F)cc1OC ZINC000339585001 376763992 /nfs/dbraw/zinc/76/39/92/376763992.db2.gz RJJPWLFMXWYNPJ-KBPBESRZSA-N 0 3 279.355 3.240 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(CSC)s1 ZINC000339385095 376750931 /nfs/dbraw/zinc/75/09/31/376750931.db2.gz LHIMAFGYFOZOOJ-FZMZJTMJSA-N 0 3 298.477 3.077 20 30 CGEDHN C=CCCC(=O)Nc1cnccc1NC(CC)CC ZINC000554905499 376853711 /nfs/dbraw/zinc/85/37/11/376853711.db2.gz MDFFEMVVABDEDH-UHFFFAOYSA-N 0 3 261.369 3.009 20 30 CGEDHN CC#CCN[C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555131593 376854631 /nfs/dbraw/zinc/85/46/31/376854631.db2.gz BDKVLKUNKAMCCO-HZPDHXFCSA-N 0 3 294.801 3.227 20 30 CGEDHN CC#CCN[C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555131595 376854801 /nfs/dbraw/zinc/85/48/01/376854801.db2.gz BDKVLKUNKAMCCO-JKSUJKDBSA-N 0 3 294.801 3.227 20 30 CGEDHN C=CCC(C)(C)C(=O)N(CCC)CCN1CCCCC1 ZINC000556945455 376908677 /nfs/dbraw/zinc/90/86/77/376908677.db2.gz YAWCBONMLYBWAK-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN CC(C)[C@@H](C)N1Cc2cccc(N[C@H](C)C#N)c2C1 ZINC000246236649 376995968 /nfs/dbraw/zinc/99/59/68/376995968.db2.gz VOZPHDKSBAHGPE-CHWSQXEVSA-N 0 3 257.381 3.371 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246873109 377109800 /nfs/dbraw/zinc/10/98/00/377109800.db2.gz WLTOZHHFUQSYJY-UONOGXRCSA-N 0 3 295.810 3.120 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@@H](SC)C1 ZINC000246577397 377055518 /nfs/dbraw/zinc/05/55/18/377055518.db2.gz LUSCONZUWQEQNB-HUUCEWRRSA-N 0 3 298.496 3.017 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)C[C@H](C)C1 ZINC000246841339 377102894 /nfs/dbraw/zinc/10/28/94/377102894.db2.gz VEKDRDMDUCWTGH-ILXRZTDVSA-N 0 3 299.418 3.253 20 30 CGEDHN CC[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000341216596 377449888 /nfs/dbraw/zinc/44/98/88/377449888.db2.gz XCUBHYLSTIDHDC-QGZVFWFLSA-N 0 3 293.370 3.238 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000564276915 377475292 /nfs/dbraw/zinc/47/52/92/377475292.db2.gz KHCWJCQOLXIKTN-GJZGRUSLSA-N 0 3 258.340 3.355 20 30 CGEDHN N#Cc1ccc(NC[C@@H]2CCCN2Cc2ccccc2)nc1 ZINC000265148244 190161589 /nfs/dbraw/zinc/16/15/89/190161589.db2.gz SBUPXRPZNLRQPD-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1cccc(C#N)c1 ZINC000290284419 249072205 /nfs/dbraw/zinc/07/22/05/249072205.db2.gz MKMLSOFOJWVYOB-SUNYJGFJSA-N 0 3 280.371 3.331 20 30 CGEDHN COc1ccc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)cc1C#N ZINC000253100028 377676661 /nfs/dbraw/zinc/67/66/61/377676661.db2.gz PPQCRXBZWANKEN-MGPQQGTHSA-N 0 3 272.392 3.433 20 30 CGEDHN N#Cc1ccccc1-c1ccc(CN(CCO)C2CC2)cc1 ZINC000264207993 377963814 /nfs/dbraw/zinc/96/38/14/377963814.db2.gz LLXULMWMNXYLCF-UHFFFAOYSA-N 0 3 292.382 3.182 20 30 CGEDHN C=C(C)CN1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000264458006 377988223 /nfs/dbraw/zinc/98/82/23/377988223.db2.gz FEPXTOYVFNIVRF-UHFFFAOYSA-N 0 3 291.345 3.289 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000343466087 377989159 /nfs/dbraw/zinc/98/91/59/377989159.db2.gz IHIZECJIPIXGHH-YOEHRIQHSA-N 0 3 275.392 3.108 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000343493581 377995168 /nfs/dbraw/zinc/99/51/68/377995168.db2.gz CYFHTHMLDJEMKR-TZMCWYRMSA-N 0 3 259.349 3.329 20 30 CGEDHN C=CCCN(C)Cc1ccc(OC)cc1OC(F)F ZINC000343501811 377997674 /nfs/dbraw/zinc/99/76/74/377997674.db2.gz XXGWAAGIWJXHPI-UHFFFAOYSA-N 0 3 271.307 3.305 20 30 CGEDHN C=CCC(CC=C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000343613588 378040825 /nfs/dbraw/zinc/04/08/25/378040825.db2.gz OGAPUUQEPZVSRP-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN C[C@H]1CC[C@@H](N(CC#Cc2ccccc2Cl)CCO)C1 ZINC000577903896 378022424 /nfs/dbraw/zinc/02/24/24/378022424.db2.gz QKSSNYMEZAOKRD-GOEBONIOSA-N 0 3 291.822 3.174 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(Nc3ncccc3C#N)cccc21 ZINC000578953737 378115296 /nfs/dbraw/zinc/11/52/96/378115296.db2.gz FNIHDZIGFJCAOC-OAHLLOKOSA-N 0 3 294.358 3.082 20 30 CGEDHN C=CCOc1cccc(CN[C@H]2CCCc3cn[nH]c32)c1 ZINC000268874490 378137971 /nfs/dbraw/zinc/13/79/71/378137971.db2.gz WDJUPOMFGKERSE-INIZCTEOSA-N 0 3 283.375 3.142 20 30 CGEDHN C=CCOc1ccc(CNCC2(CO)CCC2)cc1Cl ZINC000184366501 542235358 /nfs/dbraw/zinc/23/53/58/542235358.db2.gz CBMUWCTXMYYKEZ-UHFFFAOYSA-N 0 3 295.810 3.157 20 30 CGEDHN CCc1nc(CCNCc2ccc(C#N)cc2F)cs1 ZINC000269409959 378217816 /nfs/dbraw/zinc/21/78/16/378217816.db2.gz IUKJCSYTQUAEQZ-UHFFFAOYSA-N 0 3 289.379 3.049 20 30 CGEDHN Cc1nc(CCNCc2ccc(C#N)cc2F)sc1C ZINC000269436601 378221750 /nfs/dbraw/zinc/22/17/50/378221750.db2.gz REAATAVYHBCGIJ-UHFFFAOYSA-N 0 3 289.379 3.103 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000618743109 378410437 /nfs/dbraw/zinc/41/04/37/378410437.db2.gz WZUABKNIEDBQIG-QGZVFWFLSA-N 0 3 293.326 3.244 20 30 CGEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742782 378410480 /nfs/dbraw/zinc/41/04/80/378410480.db2.gz SGAGUILYZBXUHK-GOSISDBHSA-N 0 3 278.355 3.344 20 30 CGEDHN C#CCCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000270564324 378370093 /nfs/dbraw/zinc/37/00/93/378370093.db2.gz YPFJPMUONUYXOM-AWEZNQCLSA-N 0 3 299.349 3.078 20 30 CGEDHN C=CCCC[C@@H](C)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000346034994 378446087 /nfs/dbraw/zinc/44/60/87/378446087.db2.gz SLDMJZRXRFKPBH-RDTXWAMCSA-N 0 3 271.470 3.354 20 30 CGEDHN Cc1nc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000271937473 378523758 /nfs/dbraw/zinc/52/37/58/378523758.db2.gz NSHNDSSAXQOSDD-JTQLQIEISA-N 0 3 289.379 3.356 20 30 CGEDHN CC[C@H]1CC[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271443954 378492675 /nfs/dbraw/zinc/49/26/75/378492675.db2.gz CEIOTWUGYYYJCO-WFASDCNBSA-N 0 3 296.374 3.371 20 30 CGEDHN C=CCOCCCN1CCc2sccc2[C@@H]1C ZINC000347965834 378741420 /nfs/dbraw/zinc/74/14/20/378741420.db2.gz FHEAAPDXEOEROF-LBPRGKRZSA-N 0 3 251.395 3.260 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCCc2cccc(CN)c21 ZINC000638543435 378832272 /nfs/dbraw/zinc/83/22/72/378832272.db2.gz ZZUONAJQNQOIFF-CYBMUJFWSA-N 0 3 272.392 3.027 20 30 CGEDHN C=C(C)CN(CCOCC(F)F)Cc1ccccc1 ZINC000348234983 378855676 /nfs/dbraw/zinc/85/56/76/378855676.db2.gz STGXXGQPICFQIO-UHFFFAOYSA-N 0 3 269.335 3.346 20 30 CGEDHN Cc1nc([C@@H](C)NCC(C)(C)CCC#N)cs1 ZINC000348207319 378838635 /nfs/dbraw/zinc/83/86/35/378838635.db2.gz OWRCAZZWUYHANW-SNVBAGLBSA-N 0 3 251.399 3.432 20 30 CGEDHN CCC(O)(CC)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000276660485 378975303 /nfs/dbraw/zinc/97/53/03/378975303.db2.gz NPSFFEKAEYLILJ-LBPRGKRZSA-N 0 3 278.371 3.289 20 30 CGEDHN CC(C)(CNc1snc(Cl)c1C#N)CN1CCCC1 ZINC000276819836 379003047 /nfs/dbraw/zinc/00/30/47/379003047.db2.gz NESVTUBQNJAMLX-UHFFFAOYSA-N 0 3 298.843 3.202 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000278618486 194071160 /nfs/dbraw/zinc/07/11/60/194071160.db2.gz GBZLBULJIFKKQZ-INIZCTEOSA-N 0 3 258.365 3.192 20 30 CGEDHN C=CCN1CCC(Nc2ccc3ccccc3n2)CC1 ZINC000266386529 190253321 /nfs/dbraw/zinc/25/33/21/190253321.db2.gz NNHGMHJPOKJYIN-UHFFFAOYSA-N 0 3 267.376 3.297 20 30 CGEDHN CC[C@@H](NC[C@@H](O)c1ccsc1)c1ccc(C#N)cc1 ZINC000278791574 194156827 /nfs/dbraw/zinc/15/68/27/194156827.db2.gz QJMLXVQNRQVCAX-HZPDHXFCSA-N 0 3 286.400 3.394 20 30 CGEDHN C=CCN1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000266414267 190255938 /nfs/dbraw/zinc/25/59/38/190255938.db2.gz RAWBLIOWTVOWED-UHFFFAOYSA-N 0 3 275.783 3.274 20 30 CGEDHN CC[C@@H](NC1CC(F)(F)C1)c1ccc(C#N)cc1 ZINC000278818407 194167758 /nfs/dbraw/zinc/16/77/58/194167758.db2.gz SGWKBZIXVVLKBP-CYBMUJFWSA-N 0 3 250.292 3.397 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCC12CCC2 ZINC000373094904 379219926 /nfs/dbraw/zinc/21/99/26/379219926.db2.gz LWBCMORMTQAENZ-UHFFFAOYSA-N 0 3 256.349 3.085 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccco3)C2)c(F)c1 ZINC000374009223 379361604 /nfs/dbraw/zinc/36/16/04/379361604.db2.gz WPPWMDUMVBLAER-CQSZACIVSA-N 0 3 270.307 3.280 20 30 CGEDHN CC(C)Oc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349820400 379402675 /nfs/dbraw/zinc/40/26/75/379402675.db2.gz GDVYROCMALFSPM-HIFRSBDPSA-N 0 3 258.365 3.256 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000349851377 379422467 /nfs/dbraw/zinc/42/24/67/379422467.db2.gz GXJSTKVGRVSFNO-ZFWWWQNUSA-N 0 3 256.349 3.033 20 30 CGEDHN COc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000349856786 379424861 /nfs/dbraw/zinc/42/48/61/379424861.db2.gz SKNWCVKYMMAYLN-PWSUYJOCSA-N 0 3 264.756 3.130 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374624080 379471416 /nfs/dbraw/zinc/47/14/16/379471416.db2.gz YAVGNMHFNFSZNC-CQSZACIVSA-N 0 3 292.427 3.061 20 30 CGEDHN C#CCCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375842797 379513677 /nfs/dbraw/zinc/51/36/77/379513677.db2.gz WVCKCFMWTRUYCG-HNNXBMFYSA-N 0 3 259.397 3.424 20 30 CGEDHN C=CCCCCCN(C)Cc1cnn(CC(F)F)c1 ZINC000351625306 379732014 /nfs/dbraw/zinc/73/20/14/379732014.db2.gz WBUCFTKZUJBQMB-UHFFFAOYSA-N 0 3 271.355 3.326 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1csc(C)n1 ZINC000280902117 379808894 /nfs/dbraw/zinc/80/88/94/379808894.db2.gz RELXAYJGTXYZEK-QKCSRTOESA-N 0 3 266.410 3.083 20 30 CGEDHN C=CCSCCN[C@H]1CCc2cc(F)c(OC)cc21 ZINC000281540897 379839038 /nfs/dbraw/zinc/83/90/38/379839038.db2.gz IPUDYUSSVQTMCG-AWEZNQCLSA-N 0 3 281.396 3.330 20 30 CGEDHN C=CCCCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640564655 379823278 /nfs/dbraw/zinc/82/32/78/379823278.db2.gz SCNJJTBNBZFOFF-KBPBESRZSA-N 0 3 287.325 3.077 20 30 CGEDHN C=CCCCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640564659 379823400 /nfs/dbraw/zinc/82/34/00/379823400.db2.gz SCNJJTBNBZFOFF-ZIAGYGMSSA-N 0 3 287.325 3.077 20 30 CGEDHN COCCN(CCSC(C)C)Cc1ccc(C#N)cc1 ZINC000283565967 380073400 /nfs/dbraw/zinc/07/34/00/380073400.db2.gz OCUMKLNKQYSLJY-UHFFFAOYSA-N 0 3 292.448 3.148 20 30 CGEDHN C[C@@H](CCC#N)N1CCC2(CC1)OCCc1ccsc12 ZINC000411481673 380146586 /nfs/dbraw/zinc/14/65/86/380146586.db2.gz BGPJRPHHKBYJPB-ZDUSSCGKSA-N 0 3 290.432 3.304 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000411446996 380146921 /nfs/dbraw/zinc/14/69/21/380146921.db2.gz BHZDBYGCHGKODA-ZIAGYGMSSA-N 0 3 285.391 3.156 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000411143409 380132336 /nfs/dbraw/zinc/13/23/36/380132336.db2.gz HZEPQBNXTNUOBB-LSDHHAIUSA-N 0 3 285.391 3.029 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000411143392 380132411 /nfs/dbraw/zinc/13/24/11/380132411.db2.gz HZEPQBNXTNUOBB-CABCVRRESA-N 0 3 285.391 3.029 20 30 CGEDHN COCC#CCN(C(C)C)[C@@H](C)c1ccsc1 ZINC000643255273 380245826 /nfs/dbraw/zinc/24/58/26/380245826.db2.gz GCLNIGQECLANNQ-ZDUSSCGKSA-N 0 3 251.395 3.169 20 30 CGEDHN N#Cc1csc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000353973027 380258852 /nfs/dbraw/zinc/25/88/52/380258852.db2.gz PDUDMOAKLLPGPZ-OAHLLOKOSA-N 0 3 268.385 3.437 20 30 CGEDHN Cc1ncc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353915955 380231451 /nfs/dbraw/zinc/23/14/51/380231451.db2.gz OXCJLJFJZVFBKG-QGZVFWFLSA-N 0 3 280.375 3.310 20 30 CGEDHN CC#CCCNCc1cnc(-c2ccsc2)s1 ZINC000354179961 380355457 /nfs/dbraw/zinc/35/54/57/380355457.db2.gz PJWYBUDUZZQYSU-UHFFFAOYSA-N 0 3 262.403 3.375 20 30 CGEDHN CC#CCCNCc1cnc(-c2ccc(C)o2)s1 ZINC000354182009 380356790 /nfs/dbraw/zinc/35/67/90/380356790.db2.gz XZSXJOLLATXGDL-UHFFFAOYSA-N 0 3 260.362 3.215 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1ccccc1CCN(C)C ZINC000354198324 380362282 /nfs/dbraw/zinc/36/22/82/380362282.db2.gz GYFYKGQCWYILJJ-UHFFFAOYSA-N 0 3 286.419 3.498 20 30 CGEDHN N#CC(C(=O)c1cccc(-c2ccoc2)c1)c1ccncn1 ZINC000354457478 380446223 /nfs/dbraw/zinc/44/62/23/380446223.db2.gz BDERUKWNRJCUKX-HNNXBMFYSA-N 0 3 289.294 3.227 20 30 CGEDHN CC[C@H](C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354459369 380447907 /nfs/dbraw/zinc/44/79/07/380447907.db2.gz DQZXLVXSMFJCNO-WFASDCNBSA-N 0 3 295.342 3.144 20 30 CGEDHN CC[C@H](C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354459369 380447915 /nfs/dbraw/zinc/44/79/15/380447915.db2.gz DQZXLVXSMFJCNO-WFASDCNBSA-N 0 3 295.342 3.144 20 30 CGEDHN C=CC(C)(C)CNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416242281 380525824 /nfs/dbraw/zinc/52/58/24/380525824.db2.gz FTCYXIOTHGSFEI-HNNXBMFYSA-N 0 3 274.408 3.008 20 30 CGEDHN C=CC[C@@H]1N(Cc2cncn2CC)CCCC1(C)C ZINC000418040831 380696438 /nfs/dbraw/zinc/69/64/38/380696438.db2.gz WKQCBPADHOWQMG-HNNXBMFYSA-N 0 3 261.413 3.470 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419368990 380816688 /nfs/dbraw/zinc/81/66/88/380816688.db2.gz GPUBZGYARODQKH-AVGNSLFASA-N 0 3 258.365 3.043 20 30 CGEDHN C=CCN1CC[C@@H](N2CC[C@H](c3ccccc3)C2(C)C)C1=O ZINC000421019053 380871765 /nfs/dbraw/zinc/87/17/65/380871765.db2.gz LVHUDAVRAQHMDU-IAGOWNOFSA-N 0 3 298.430 3.041 20 30 CGEDHN C[C@@H](CC(=O)Nc1ccccc1)NCc1ccc(C#N)s1 ZINC000421355513 380892688 /nfs/dbraw/zinc/89/26/88/380892688.db2.gz UOANNFMQOQEQPU-LBPRGKRZSA-N 0 3 299.399 3.127 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357040615 381006312 /nfs/dbraw/zinc/00/63/12/381006312.db2.gz OFVNUJOBBMUMJW-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN CC(C)[C@@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000357658399 381240366 /nfs/dbraw/zinc/24/03/66/381240366.db2.gz ZVXGTMIQJUUKKY-INIZCTEOSA-N 0 3 267.376 3.431 20 30 CGEDHN CC[C@@H](CC#N)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000358085421 381291382 /nfs/dbraw/zinc/29/13/82/381291382.db2.gz YAZZTPRSKOFXGH-INIZCTEOSA-N 0 3 299.418 3.093 20 30 CGEDHN CCC1(Cc2ccccc2)CCN(C(=O)C(C)C#N)CC1 ZINC000358194439 381295808 /nfs/dbraw/zinc/29/58/08/381295808.db2.gz ZRIFJYZBHSHTIN-HNNXBMFYSA-N 0 3 284.403 3.408 20 30 CGEDHN CCCN1CCC[C@@H]1CNc1nc(C)c(C#N)cc1Cl ZINC000359966675 381391571 /nfs/dbraw/zinc/39/15/71/381391571.db2.gz ASCVXHDEPJTCQZ-CYBMUJFWSA-N 0 3 292.814 3.201 20 30 CGEDHN C=C(CNC(=O)[C@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000360207370 381479635 /nfs/dbraw/zinc/47/96/35/381479635.db2.gz GTXSTWAOSWDTOI-GOSISDBHSA-N 0 3 298.430 3.223 20 30 CGEDHN C[C@@H](Cn1cccn1)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360650551 381606560 /nfs/dbraw/zinc/60/65/60/381606560.db2.gz YJBIFWWMZPFDOA-KSSFIOAISA-N 0 3 294.402 3.201 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1OC)CC1CCC1 ZINC000361482403 381765932 /nfs/dbraw/zinc/76/59/32/381765932.db2.gz XQEQLIHJXKADIN-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CC(C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC000361563319 381806806 /nfs/dbraw/zinc/80/68/06/381806806.db2.gz GCPSVEWXQXRSHL-HIFPTAJRSA-N 0 3 250.386 3.115 20 30 CGEDHN C[C@H]1CCOCCN1Cc1ccccc1C(C)(C)C#N ZINC000362234139 381912951 /nfs/dbraw/zinc/91/29/51/381912951.db2.gz GXMZUXQUMXBGRA-AWEZNQCLSA-N 0 3 272.392 3.099 20 30 CGEDHN COCCN(Cc1cc(C#N)ccc1F)[C@@H]1CC[C@H](C)C1 ZINC000362157122 381891987 /nfs/dbraw/zinc/89/19/87/381891987.db2.gz OUZHMJNTMJTOCF-XJKSGUPXSA-N 0 3 290.382 3.334 20 30 CGEDHN CSCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367210098 382339446 /nfs/dbraw/zinc/33/94/46/382339446.db2.gz ZPSAJBMEMPPDTH-UHFFFAOYSA-N 0 3 258.390 3.010 20 30 CGEDHN COc1cccc2c1OCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000365819599 382296811 /nfs/dbraw/zinc/29/68/11/382296811.db2.gz JLNSNPALNRXCJT-YDHLFZDLSA-N 0 3 286.375 3.191 20 30 CGEDHN C#CCCCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000192053706 533013245 /nfs/dbraw/zinc/01/32/45/533013245.db2.gz CHVMUNYEFIUVNE-HNNXBMFYSA-N 0 3 286.419 3.036 20 30 CGEDHN N#Cc1c(F)cccc1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000335382330 208325565 /nfs/dbraw/zinc/32/55/65/208325565.db2.gz YRTFJOYFJXQFIV-YOEHRIQHSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000347080298 533108554 /nfs/dbraw/zinc/10/85/54/533108554.db2.gz WPCNVVKUSKHFSO-ZDUSSCGKSA-N 0 3 278.355 3.490 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000353200725 542555130 /nfs/dbraw/zinc/55/51/30/542555130.db2.gz CKASZPAHHHGODP-SJLPKXTDSA-N 0 3 298.430 3.270 20 30 CGEDHN CCOc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281650576 195322176 /nfs/dbraw/zinc/32/21/76/195322176.db2.gz JUQQQTLACZDHQX-UHFFFAOYSA-N 0 3 296.370 3.255 20 30 CGEDHN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000187844579 533432472 /nfs/dbraw/zinc/43/24/72/533432472.db2.gz UNZDIYIBMVPWRU-IUODEOHRSA-N 0 3 258.365 3.166 20 30 CGEDHN CCc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000189582519 129996021 /nfs/dbraw/zinc/99/60/21/129996021.db2.gz ADEXUAMSPGVDRM-CYBMUJFWSA-N 0 3 267.376 3.310 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)Nc1ccccc1CCN(C)C ZINC000281936915 392259214 /nfs/dbraw/zinc/25/92/14/392259214.db2.gz LBVBBXHIETXHSY-OAHLLOKOSA-N 0 3 289.423 3.267 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000233990133 130932491 /nfs/dbraw/zinc/93/24/91/130932491.db2.gz ZYKDBTNDXNMIOJ-LSDHHAIUSA-N 0 3 278.396 3.461 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OC)C[C@@H]2C)c1 ZINC000282234601 392286193 /nfs/dbraw/zinc/28/61/93/392286193.db2.gz ISSVINZBRXKTQX-GOEBONIOSA-N 0 3 275.392 3.251 20 30 CGEDHN C[C@H](CNc1nc(Cl)c(C#N)s1)CN1CCCCC1 ZINC000235488087 130950746 /nfs/dbraw/zinc/95/07/46/130950746.db2.gz HCEYNYCHKWOEIF-SNVBAGLBSA-N 0 3 298.843 3.202 20 30 CGEDHN C[C@@H](c1cccnc1)N(C)CCOc1ccccc1C#N ZINC000108386218 392342375 /nfs/dbraw/zinc/34/23/75/392342375.db2.gz FZGMPUQEEXGZPL-AWEZNQCLSA-N 0 3 281.359 3.025 20 30 CGEDHN C=CCC[C@@H](N[C@@H](CO)Cc1ccccc1)c1ccco1 ZINC000286124504 392377319 /nfs/dbraw/zinc/37/73/19/392377319.db2.gz NUHVZIDHPZIXOO-IAGOWNOFSA-N 0 3 285.387 3.480 20 30 CGEDHN C[C@@H](O)CN(Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000263789653 131331300 /nfs/dbraw/zinc/33/13/00/131331300.db2.gz QBUPYRGTSOYQHQ-CYBMUJFWSA-N 0 3 290.382 3.213 20 30 CGEDHN C=CCCCCCCCCN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000286889711 392390783 /nfs/dbraw/zinc/39/07/83/392390783.db2.gz CYLZSZLQTKUQBB-AWEZNQCLSA-N 0 3 277.412 3.337 20 30 CGEDHN C=CCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000263858664 131347301 /nfs/dbraw/zinc/34/73/01/131347301.db2.gz XACRFRLGIIEUCP-KRWDZBQOSA-N 0 3 286.419 3.214 20 30 CGEDHN C=CCN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000121170132 392410635 /nfs/dbraw/zinc/41/06/35/392410635.db2.gz MYDKUSVYJXRGBY-UHFFFAOYSA-N 0 3 259.271 3.246 20 30 CGEDHN C=CCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000121819073 392415747 /nfs/dbraw/zinc/41/57/47/392415747.db2.gz MQSCAPXCZDITSZ-NSHDSACASA-N 0 3 259.328 3.156 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000289602756 392427003 /nfs/dbraw/zinc/42/70/03/392427003.db2.gz CQZWTTQACDYMMG-YJBOKZPZSA-N 0 3 297.398 3.463 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OCCCC)cc1 ZINC000289771916 392431679 /nfs/dbraw/zinc/43/16/79/392431679.db2.gz MFHPWVCRSDSKMN-ZFWWWQNUSA-N 0 3 263.381 3.063 20 30 CGEDHN C=C(C)COc1cc(CNC[C@H](CC)OC)ccc1OC ZINC000289883235 392435235 /nfs/dbraw/zinc/43/52/35/392435235.db2.gz SAAFIEMUQVZRLQ-HNNXBMFYSA-N 0 3 293.407 3.165 20 30 CGEDHN C=CCCCCCN1C[C@H](C)OC2(CCOCC2)C1 ZINC000366093015 392450155 /nfs/dbraw/zinc/45/01/55/392450155.db2.gz NTELAVIQKMNMGZ-HNNXBMFYSA-N 0 3 267.413 3.003 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(F)cc1Cl ZINC000320379478 392671015 /nfs/dbraw/zinc/67/10/15/392671015.db2.gz KSJQPWQEALDXBD-ZYHUDNBSSA-N 0 3 271.763 3.457 20 30 CGEDHN CCN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCCO1 ZINC000178535259 392680696 /nfs/dbraw/zinc/68/06/96/392680696.db2.gz STGVTVDZORDHQJ-INIZCTEOSA-N 0 3 286.419 3.489 20 30 CGEDHN C=CCC[C@H](NCC(C)(C)[C@@]1(O)CCOC1)c1ccco1 ZINC000647342620 392690403 /nfs/dbraw/zinc/69/04/03/392690403.db2.gz UEEBKKYEHASZPI-WMLDXEAASA-N 0 3 293.407 3.054 20 30 CGEDHN C=CCC[C@@H](NCC(C)(C)[C@@]1(O)CCOC1)c1ccco1 ZINC000647342619 392691068 /nfs/dbraw/zinc/69/10/68/392691068.db2.gz UEEBKKYEHASZPI-RHSMWYFYSA-N 0 3 293.407 3.054 20 30 CGEDHN Cc1sc(NC(=O)CN[C@H](C)C(C)(C)C)c(C#N)c1C ZINC000177168360 392658722 /nfs/dbraw/zinc/65/87/22/392658722.db2.gz WJFGHKTUCLWRSN-LLVKDONJSA-N 0 3 293.436 3.199 20 30 CGEDHN C=C(C)CN(C)CCOc1ccc(SC)cc1 ZINC000181333796 392729076 /nfs/dbraw/zinc/72/90/76/392729076.db2.gz OBYQKFZEOBOVDA-UHFFFAOYSA-N 0 3 251.395 3.295 20 30 CGEDHN CN(C)CCSCc1ccc(C#N)cc1Br ZINC000182368052 392744727 /nfs/dbraw/zinc/74/47/27/392744727.db2.gz GKQWGMMFDHEZIP-UHFFFAOYSA-N 0 3 299.237 3.116 20 30 CGEDHN CC(C#N)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000334313570 392718864 /nfs/dbraw/zinc/71/88/64/392718864.db2.gz NRBGHQQUXGAXLA-ZFWWWQNUSA-N 0 3 256.349 3.290 20 30 CGEDHN CCOC[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186231246 392779946 /nfs/dbraw/zinc/77/99/46/392779946.db2.gz ZQSMJSWVSYOJOK-MRXNPFEDSA-N 0 3 272.392 3.115 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@H](C)O1 ZINC000190383441 392816117 /nfs/dbraw/zinc/81/61/17/392816117.db2.gz RPWUFQWSHARCGG-WMLDXEAASA-N 0 3 272.392 3.338 20 30 CGEDHN CC(C)N(C(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192719344 392858864 /nfs/dbraw/zinc/85/88/64/392858864.db2.gz ZBEBEYSORPEGPK-QGZVFWFLSA-N 0 3 299.418 3.172 20 30 CGEDHN C=CCCCNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000519623878 392875816 /nfs/dbraw/zinc/87/58/16/392875816.db2.gz CPBGOULSWQJMLA-GFCCVEGCSA-N 0 3 261.365 3.074 20 30 CGEDHN C=CC[C@H]1N(Cc2cncnc2OC)CCCC1(C)C ZINC000648029110 392876085 /nfs/dbraw/zinc/87/60/85/392876085.db2.gz WXTWJNRHWLPTRM-CQSZACIVSA-N 0 3 275.396 3.052 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1cnccc1C#N)C(C)C ZINC000339017185 392941511 /nfs/dbraw/zinc/94/15/11/392941511.db2.gz ONUPXIXFXGHZRL-QGZVFWFLSA-N 0 3 284.407 3.064 20 30 CGEDHN N#CCCOCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000339066244 392945934 /nfs/dbraw/zinc/94/59/34/392945934.db2.gz GEDZUBUVGPQEPM-ZDUSSCGKSA-N 0 3 286.297 3.200 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCC3)CC2)cc1F ZINC000404088966 392962498 /nfs/dbraw/zinc/96/24/98/392962498.db2.gz SMZQXKBUCAWWDT-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1cccc(C#N)c1 ZINC000411653154 392983526 /nfs/dbraw/zinc/98/35/26/392983526.db2.gz YHHMIUPNFUTIGS-HNNXBMFYSA-N 0 3 271.408 3.059 20 30 CGEDHN N#CCCCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000927 392992270 /nfs/dbraw/zinc/99/22/70/392992270.db2.gz PIAWFAUAKCGRQC-INIZCTEOSA-N 0 3 270.376 3.144 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000412618900 393004697 /nfs/dbraw/zinc/00/46/97/393004697.db2.gz WPBRFSRLDIFUTH-QKCSRTOESA-N 0 3 276.767 3.252 20 30 CGEDHN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(C)C#N)CCC2 ZINC000342973447 393014446 /nfs/dbraw/zinc/01/44/46/393014446.db2.gz BSCPDBJHOCZKBN-WBMJQRKESA-N 0 3 270.376 3.463 20 30 CGEDHN C=CCOCCNCc1cnc(-c2ccccc2F)s1 ZINC000648510012 393071795 /nfs/dbraw/zinc/07/17/95/393071795.db2.gz PSRZTPZMWRLEQH-UHFFFAOYSA-N 0 3 292.379 3.241 20 30 CGEDHN N#CCCCOc1cccc(CN2CCCSCC2)c1 ZINC000349034520 393136369 /nfs/dbraw/zinc/13/63/69/393136369.db2.gz DSLAFHPJDNQXJD-UHFFFAOYSA-N 0 3 290.432 3.308 20 30 CGEDHN C[C@H](CCC#N)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000351332658 393182662 /nfs/dbraw/zinc/18/26/62/393182662.db2.gz UFIBJLPNLVGODX-CYBMUJFWSA-N 0 3 282.391 3.435 20 30 CGEDHN Cc1cccc2c1CN(CCOc1cccc(C#N)c1)CC2 ZINC000429581468 393488691 /nfs/dbraw/zinc/48/86/91/393488691.db2.gz ZCYADHDCJGONEH-UHFFFAOYSA-N 0 3 292.382 3.304 20 30 CGEDHN C=C(C)CN(CCc1cncc(C)n1)Cc1ccccc1 ZINC000649595387 393506219 /nfs/dbraw/zinc/50/62/19/393506219.db2.gz JHRXJXUAISFVSY-UHFFFAOYSA-N 0 3 281.403 3.406 20 30 CGEDHN Cc1cc(CN2CCC[C@]3(CCCOC3)C2)ccc1C#N ZINC000488438251 393512715 /nfs/dbraw/zinc/51/27/15/393512715.db2.gz XIOQWSNUCYBVHN-SFHVURJKSA-N 0 3 284.403 3.259 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359541949 393550190 /nfs/dbraw/zinc/55/01/90/393550190.db2.gz DZNAVPWDECDULU-RYRKJORJSA-N 0 3 290.451 3.088 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1ccccc1F ZINC000649739462 393567909 /nfs/dbraw/zinc/56/79/09/393567909.db2.gz WNSCXORDYIAIEP-DOMZBBRYSA-N 0 3 251.345 3.194 20 30 CGEDHN CCN(Cc1cnc2ccc(C#N)cn12)CC(C)(C)C ZINC000361007608 393639070 /nfs/dbraw/zinc/63/90/70/393639070.db2.gz AENIQWSSTLMBRS-UHFFFAOYSA-N 0 3 270.380 3.074 20 30 CGEDHN CC1(C)CCCN(CCNc2ccc(C#N)cc2F)C1 ZINC000443955225 393778394 /nfs/dbraw/zinc/77/83/94/393778394.db2.gz FVWGGBDHXSPAKM-UHFFFAOYSA-N 0 3 275.371 3.231 20 30 CGEDHN Cc1cc(CNCCN(C)c2ccccc2)ccc1C#N ZINC000443962609 393778572 /nfs/dbraw/zinc/77/85/72/393778572.db2.gz GTGSFEZKAYWCBP-UHFFFAOYSA-N 0 3 279.387 3.093 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667472807 542872604 /nfs/dbraw/zinc/87/26/04/542872604.db2.gz QHCGVAZHLHIITR-QGZVFWFLSA-N 0 3 273.376 3.028 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668078584 542966180 /nfs/dbraw/zinc/96/61/80/542966180.db2.gz PIWKGTNGZMNPDY-AEFFLSMTSA-N 0 3 287.403 3.395 20 30 CGEDHN Cc1cccc(CCNCc2ccc(C#N)cc2F)c1 ZINC000051670260 397636992 /nfs/dbraw/zinc/63/69/92/397636992.db2.gz VKQHRPIMLRRWDQ-UHFFFAOYSA-N 0 3 268.335 3.338 20 30 CGEDHN CCCN(CCCCC#N)CC(=O)Nc1ccccc1C ZINC000198673408 397664505 /nfs/dbraw/zinc/66/45/05/397664505.db2.gz HDASKZMNSPGREV-UHFFFAOYSA-N 0 3 287.407 3.339 20 30 CGEDHN C=CCCN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000286271649 397671528 /nfs/dbraw/zinc/67/15/28/397671528.db2.gz BXBCBMPVCNUNRQ-AWEZNQCLSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCC[C@@H](NCCC(=O)N[C@H](C)CC)c1ccco1 ZINC000286307955 397671554 /nfs/dbraw/zinc/67/15/54/397671554.db2.gz WZUKSANGPBEZOQ-ZIAGYGMSSA-N 0 3 278.396 3.181 20 30 CGEDHN C=CCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000735492564 572726153 /nfs/dbraw/zinc/72/61/53/572726153.db2.gz JLVCBACMJSUGNU-OKILXGFUSA-N 0 3 282.428 3.282 20 30 CGEDHN Cc1ccc(NC[C@@H](C)N(C)Cc2ccccc2)nc1C#N ZINC000302603189 292161075 /nfs/dbraw/zinc/16/10/75/292161075.db2.gz CQCMHDULTQIRCK-OAHLLOKOSA-N 0 3 294.402 3.194 20 30 CGEDHN CCN(CC#CCOC)[C@@H](C)c1cc2ccccc2o1 ZINC000677478302 543450620 /nfs/dbraw/zinc/45/06/20/543450620.db2.gz UMDMTTWXPGKGLF-AWEZNQCLSA-N 0 3 271.360 3.466 20 30 CGEDHN COCC#CCN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000677817811 543467229 /nfs/dbraw/zinc/46/72/29/543467229.db2.gz BPOWEXCBLIWEKS-KRWDZBQOSA-N 0 3 257.377 3.090 20 30 CGEDHN COCC#CCN1CCCCC[C@H]1c1ccccc1 ZINC000677818648 543467922 /nfs/dbraw/zinc/46/79/22/543467922.db2.gz SJUOXDQDRJOBEJ-KRWDZBQOSA-N 0 3 257.377 3.254 20 30 CGEDHN COCC#CCN1CCC[C@H]1c1cc(C)ccc1C ZINC000677820627 543467952 /nfs/dbraw/zinc/46/79/52/543467952.db2.gz RFZPLJSWJATZIF-KRWDZBQOSA-N 0 3 257.377 3.090 20 30 CGEDHN COCC#CCN(Cc1ccc(F)cc1)C(C)(C)C ZINC000677820447 543468299 /nfs/dbraw/zinc/46/82/99/543468299.db2.gz NUKPXLOMHZTHMQ-UHFFFAOYSA-N 0 3 263.356 3.076 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(=Cc2cccc(OC)c2)CC1 ZINC000678049344 543479100 /nfs/dbraw/zinc/47/91/00/543479100.db2.gz IEWYGKZFNDAAEF-GOSISDBHSA-N 0 3 287.403 3.111 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000678742747 543552533 /nfs/dbraw/zinc/55/25/33/543552533.db2.gz PYONYCLUISERQG-CHWSQXEVSA-N 0 3 291.391 3.165 20 30 CGEDHN CO[C@]1(C)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000279299480 286161426 /nfs/dbraw/zinc/16/14/26/286161426.db2.gz LZRQSYWGZSNHMX-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@@H]1CCCN(C(C)(C)CNc2ncc(C#N)cc2F)C1 ZINC000413114986 533676532 /nfs/dbraw/zinc/67/65/32/533676532.db2.gz MYSKFNRGPBGYTC-GFCCVEGCSA-N 0 3 290.386 3.015 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2)CCS1 ZINC000076065709 165112318 /nfs/dbraw/zinc/11/23/18/165112318.db2.gz VZWKYUMKFIMLFA-HNNXBMFYSA-N 0 3 260.406 3.132 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1[C@H](C)CCC[C@@H]1C ZINC000077281542 165121251 /nfs/dbraw/zinc/12/12/51/165121251.db2.gz CITXXUGTIDXSNC-OKILXGFUSA-N 0 3 288.391 3.209 20 30 CGEDHN COc1ccccc1C[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000092660830 165305751 /nfs/dbraw/zinc/30/57/51/165305751.db2.gz AZMRQGJMSMXXSK-HNNXBMFYSA-N 0 3 296.370 3.367 20 30 CGEDHN CO[C@]1(C)C[C@H](N(C)Cc2cc(C#N)cs2)C1(C)C ZINC000093871903 165339728 /nfs/dbraw/zinc/33/97/28/165339728.db2.gz RVQHWJHXHUITGZ-DZGCQCFKSA-N 0 3 278.421 3.255 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000020124371 171006009 /nfs/dbraw/zinc/00/60/09/171006009.db2.gz NUGPJEQRROINJC-GFCCVEGCSA-N 0 3 280.327 3.138 20 30 CGEDHN C=CCOCCNCc1ccccc1OC1CCCC1 ZINC000679487195 543640603 /nfs/dbraw/zinc/64/06/03/543640603.db2.gz ZSSRTMBEKMBXRN-UHFFFAOYSA-N 0 3 275.392 3.300 20 30 CGEDHN COCC#CCN[C@@H](C)c1cc2ccccc2s1 ZINC000680418656 543710074 /nfs/dbraw/zinc/71/00/74/543710074.db2.gz LLGPUUUQDKVUKI-LBPRGKRZSA-N 0 3 259.374 3.202 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000680418554 543710270 /nfs/dbraw/zinc/71/02/70/543710270.db2.gz ZOUORIRIYHKWSX-IUODEOHRSA-N 0 3 289.375 3.337 20 30 CGEDHN CC(C#N)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000336539941 227103034 /nfs/dbraw/zinc/10/30/34/227103034.db2.gz DJZKFPFGLXOTSF-LBPRGKRZSA-N 0 3 290.794 3.380 20 30 CGEDHN C[C@H]1CCCC[C@@H]1CCNCc1nc(C#N)cs1 ZINC000352834493 227311126 /nfs/dbraw/zinc/31/11/26/227311126.db2.gz ISIYRAPUABVOEF-NWDGAFQWSA-N 0 3 263.410 3.321 20 30 CGEDHN C=CCC1(NC(=O)Nc2cccc(CN)c2)CCCC1 ZINC000659018212 418956963 /nfs/dbraw/zinc/95/69/63/418956963.db2.gz MGHSGQDVXDQOCL-UHFFFAOYSA-N 0 3 273.380 3.156 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000659019955 418957253 /nfs/dbraw/zinc/95/72/53/418957253.db2.gz VOLWCLFXLUTVKM-CQSZACIVSA-N 0 3 287.407 3.226 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@H]2[C@H](C)CCC)nn1 ZINC000653570900 419051835 /nfs/dbraw/zinc/05/18/35/419051835.db2.gz JAXMKJTTZJNAKH-ZBFHGGJFSA-N 0 3 276.428 3.255 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000656224827 419154410 /nfs/dbraw/zinc/15/44/10/419154410.db2.gz AAZPTFLNKJGCNK-WMZOPIPTSA-N 0 3 297.402 3.190 20 30 CGEDHN C=CCN(Cc1cc(C)sc1C)[C@@H](C)COC ZINC000661240878 419243075 /nfs/dbraw/zinc/24/30/75/419243075.db2.gz SNSZOSQJHNAGOI-NSHDSACASA-N 0 3 253.411 3.388 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nn1 ZINC000657298185 419245743 /nfs/dbraw/zinc/24/57/43/419245743.db2.gz UMAUIMAOAPPGNQ-BZUAXINKSA-N 0 3 288.439 3.303 20 30 CGEDHN C=CCCn1cc(CNCC(C)(C)c2cccc(C)c2)nn1 ZINC000657336450 419253999 /nfs/dbraw/zinc/25/39/99/419253999.db2.gz RDWIEWRIQUDZRE-UHFFFAOYSA-N 0 3 298.434 3.230 20 30 CGEDHN C=CCCn1cc(CNC2(CC=C)CCCCC2)nn1 ZINC000657482821 419290124 /nfs/dbraw/zinc/29/01/24/419290124.db2.gz CCDPEEWHDPXGJV-UHFFFAOYSA-N 0 3 274.412 3.223 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)nn1 ZINC000657494803 419293335 /nfs/dbraw/zinc/29/33/35/419293335.db2.gz HNWWBIULFPHSGO-LSDHHAIUSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H]2C(C)(C)C)nn1 ZINC000657494802 419293520 /nfs/dbraw/zinc/29/35/20/419293520.db2.gz HNWWBIULFPHSGO-HUUCEWRRSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCN(CC(=O)NC1CCCCCC1)C(C)(C)C ZINC000661755015 419295099 /nfs/dbraw/zinc/29/50/99/419295099.db2.gz GOHVKOXBMVBVHZ-UHFFFAOYSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCCNCc1ccc(OC)cc1OCc1cccnc1 ZINC000657583818 419309485 /nfs/dbraw/zinc/30/94/85/419309485.db2.gz QTSXDEKNBIXFHF-UHFFFAOYSA-N 0 3 298.386 3.335 20 30 CGEDHN C=CCCNCc1cc(OC)ccc1OCc1ccccn1 ZINC000657583054 419309994 /nfs/dbraw/zinc/30/99/94/419309994.db2.gz WFQMSQCSOVQCOK-UHFFFAOYSA-N 0 3 298.386 3.335 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2COC3(CCC3)C2)cc1 ZINC000657629519 419316448 /nfs/dbraw/zinc/31/64/48/419316448.db2.gz CFNLDCWKPVGSCO-OAHLLOKOSA-N 0 3 273.376 3.053 20 30 CGEDHN C=CCC1(NCc2cc(F)ccc2F)CCOCC1 ZINC000657633186 419317279 /nfs/dbraw/zinc/31/72/79/419317279.db2.gz KANBNYLBVDVKPS-UHFFFAOYSA-N 0 3 267.319 3.180 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nccc(OC)c2F)C1 ZINC000657674688 419326645 /nfs/dbraw/zinc/32/66/45/419326645.db2.gz RSVMWUVZMOFLCP-VXGBXAGGSA-N 0 3 264.344 3.064 20 30 CGEDHN CC#CCCN1CCC2(CCc3ccccc3O2)CC1 ZINC000662050626 419329100 /nfs/dbraw/zinc/32/91/00/419329100.db2.gz RZRLLEAPOKIYAA-UHFFFAOYSA-N 0 3 269.388 3.260 20 30 CGEDHN C=CCOCCCNCc1c(F)cccc1Cl ZINC000657657630 419320414 /nfs/dbraw/zinc/32/04/14/419320414.db2.gz RMVSNPMRQJIHRC-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccccc1 ZINC000662079314 419333712 /nfs/dbraw/zinc/33/37/12/419333712.db2.gz JRUHGJLGMVBCEH-BMFZPTHFSA-N 0 3 270.376 3.197 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000335986981 228175271 /nfs/dbraw/zinc/17/52/71/228175271.db2.gz YQFCGZVWOCKWCK-NSHDSACASA-N 0 3 299.349 3.173 20 30 CGEDHN Cc1c2ccccc2n(C)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000336233006 228218508 /nfs/dbraw/zinc/21/85/08/228218508.db2.gz YQAVLKBZZHRESA-KBPBESRZSA-N 0 3 267.376 3.269 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C)s1 ZINC000657971362 419468565 /nfs/dbraw/zinc/46/85/65/419468565.db2.gz KCJWNBBXZSBMEC-RYUDHWBXSA-N 0 3 251.399 3.071 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658030183 419506331 /nfs/dbraw/zinc/50/63/31/419506331.db2.gz PJJHSCQMNVTTNX-SUHUHFCYSA-N 0 3 282.334 3.403 20 30 CGEDHN C=CCCN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000658117502 419596606 /nfs/dbraw/zinc/59/66/06/419596606.db2.gz VOLWSJBKEAXQNI-CYBMUJFWSA-N 0 3 270.380 3.111 20 30 CGEDHN C=CCOCCCN[C@H](c1ccc(F)cn1)C(C)C ZINC000658209195 419662090 /nfs/dbraw/zinc/66/20/90/419662090.db2.gz DZFTVJBXKGDXNQ-HNNXBMFYSA-N 0 3 266.360 3.100 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000658206737 419657889 /nfs/dbraw/zinc/65/78/89/419657889.db2.gz PSGLRFYAVBOCNZ-AWEZNQCLSA-N 0 3 277.412 3.242 20 30 CGEDHN C#CC[C@H](N[C@@H]1C[C@@H](OCC)[C@@H]1SC)c1ccccc1 ZINC000297812789 260135144 /nfs/dbraw/zinc/13/51/44/260135144.db2.gz YHZNZQWSJVTQLH-YLFCFFPRSA-N 0 3 289.444 3.250 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@H](Oc2ccccc2)C1 ZINC000363467308 260263482 /nfs/dbraw/zinc/26/34/82/260263482.db2.gz ISMUCHYWVVGGFF-HNNXBMFYSA-N 0 3 258.365 3.080 20 30 CGEDHN CCC(CC)[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000224637018 260668316 /nfs/dbraw/zinc/66/83/16/260668316.db2.gz WEDVAQQJMIBFJM-WBMJQRKESA-N 0 3 260.381 3.006 20 30 CGEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1ccccn1 ZINC000105697837 261314670 /nfs/dbraw/zinc/31/46/70/261314670.db2.gz YQJKXGHSVUXQCK-NSHDSACASA-N 0 3 268.341 3.122 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC000487232462 261676248 /nfs/dbraw/zinc/67/62/48/261676248.db2.gz NSEVZXABLCHVNT-AWEZNQCLSA-N 0 3 274.408 3.223 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000185797868 262071751 /nfs/dbraw/zinc/07/17/51/262071751.db2.gz GFHQTAHPFNLXGO-DZGCQCFKSA-N 0 3 298.365 3.183 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccccc1Cl ZINC000320615596 262162551 /nfs/dbraw/zinc/16/25/51/262162551.db2.gz HLCHIFONDKSXMP-NEPJUHHUSA-N 0 3 253.773 3.318 20 30 CGEDHN C=CC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000111257055 262257976 /nfs/dbraw/zinc/25/79/76/262257976.db2.gz VXFFUHXUAAMKRI-UHFFFAOYSA-N 0 3 267.376 3.270 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000111260394 262259220 /nfs/dbraw/zinc/25/92/20/262259220.db2.gz GSJHTBZYNRTTAS-HOCLYGCPSA-N 0 3 278.440 3.064 20 30 CGEDHN CC[C@@H](CC#N)NC1CCN(Cc2cccc(F)c2)CC1 ZINC000365043759 262268044 /nfs/dbraw/zinc/26/80/44/262268044.db2.gz LLEUJYYVJFNHES-INIZCTEOSA-N 0 3 289.398 3.072 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCC2(F)F)c(F)c1 ZINC000390862467 262355872 /nfs/dbraw/zinc/35/58/72/262355872.db2.gz KWIFFQOMDIYSGB-GFCCVEGCSA-N 0 3 268.282 3.222 20 30 CGEDHN CC[C@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000336783642 262394885 /nfs/dbraw/zinc/39/48/85/262394885.db2.gz DARXLBKUYKMENN-KGLIPLIRSA-N 0 3 252.402 3.206 20 30 CGEDHN Cc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000272002327 263001170 /nfs/dbraw/zinc/00/11/70/263001170.db2.gz HXDLFVXZZMEBML-GFCCVEGCSA-N 0 3 275.352 3.494 20 30 CGEDHN C[C@@H](CCO)N(CCC(C)(C)C#N)Cc1ccccc1 ZINC000272065561 263001866 /nfs/dbraw/zinc/00/18/66/263001866.db2.gz XUMCLPUJEMUIAL-HNNXBMFYSA-N 0 3 274.408 3.199 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(C#N)cc1 ZINC000274217304 263021972 /nfs/dbraw/zinc/02/19/72/263021972.db2.gz OYPOHZKTRCNCGF-BJJXKVORSA-N 0 3 253.349 3.291 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000275643935 263033667 /nfs/dbraw/zinc/03/36/67/263033667.db2.gz SGFSEBLKIODQQU-PVAVHDDUSA-N 0 3 267.376 3.356 20 30 CGEDHN C[C@@H](CCC#N)N(C)CCOc1ccc(Cl)cc1 ZINC000276280730 263035694 /nfs/dbraw/zinc/03/56/94/263035694.db2.gz FUYNTQBMACDDKR-LBPRGKRZSA-N 0 3 266.772 3.343 20 30 CGEDHN N#CCOc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278939113 263051914 /nfs/dbraw/zinc/05/19/14/263051914.db2.gz XXSSJFLUCJFSQE-CYBMUJFWSA-N 0 3 298.308 3.363 20 30 CGEDHN CC[C@H](C)CN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280315290 263060181 /nfs/dbraw/zinc/06/01/81/263060181.db2.gz GIMNZSWMAWTGCA-WMLDXEAASA-N 0 3 297.402 3.135 20 30 CGEDHN COc1ccc2c(c1)C1(CC1)CN(CCCCC#N)C2 ZINC000289498236 263110619 /nfs/dbraw/zinc/11/06/19/263110619.db2.gz JRVCVDJEZNOXCT-UHFFFAOYSA-N 0 3 270.376 3.236 20 30 CGEDHN N#CCCOCCN1CCC(Cc2ccccc2F)CC1 ZINC000292699168 263133717 /nfs/dbraw/zinc/13/37/17/263133717.db2.gz AIODJPWGPQUZFB-UHFFFAOYSA-N 0 3 290.382 3.010 20 30 CGEDHN C=CCC(F)(F)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000293637969 263145492 /nfs/dbraw/zinc/14/54/92/263145492.db2.gz YMRJPMJWQWMGNL-OCCSQVGLSA-N 0 3 296.361 3.005 20 30 CGEDHN CC[C@@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000293801627 263150084 /nfs/dbraw/zinc/15/00/84/263150084.db2.gz NJGNHYLZTJHGNW-CQSZACIVSA-N 0 3 266.772 3.311 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 ZINC000294482886 263162715 /nfs/dbraw/zinc/16/27/15/263162715.db2.gz PDHOWSHUELHBKI-GOSISDBHSA-N 0 3 297.402 3.161 20 30 CGEDHN CC(C)(C)[C@H](NCCOCCC#N)c1cccc(F)c1 ZINC000294722424 263166759 /nfs/dbraw/zinc/16/67/59/263166759.db2.gz VSQHGRBKFONYTM-OAHLLOKOSA-N 0 3 278.371 3.433 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2cc(F)c(F)cc2F)C1 ZINC000295122318 263172673 /nfs/dbraw/zinc/17/26/73/263172673.db2.gz WTCCLAGLPMVJKE-ONGXEEELSA-N 0 3 268.282 3.276 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(CCCO)CC1 ZINC000341558576 263341083 /nfs/dbraw/zinc/34/10/83/263341083.db2.gz FNRSSZOBQKNDKH-UHFFFAOYSA-N 0 3 289.419 3.236 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000341950696 263367950 /nfs/dbraw/zinc/36/79/50/263367950.db2.gz XSEMGAJSRDIRFB-IUODEOHRSA-N 0 3 288.391 3.413 20 30 CGEDHN COCC1(C#N)CCN(CCCc2cccc(F)c2)CC1 ZINC000342027130 263380481 /nfs/dbraw/zinc/38/04/81/263380481.db2.gz XUYJZCBAHKTOSB-UHFFFAOYSA-N 0 3 290.382 3.010 20 30 CGEDHN CCn1nc(CNCC(C)(C)CCC#N)c2ccccc21 ZINC000342294349 263413815 /nfs/dbraw/zinc/41/38/15/263413815.db2.gz PASIULWYIQXXDT-UHFFFAOYSA-N 0 3 284.407 3.476 20 30 CGEDHN Cc1ccc([C@H](CC(=O)OC(C)C)NCCCC#N)cc1 ZINC000342482664 263440439 /nfs/dbraw/zinc/44/04/39/263440439.db2.gz QLRPLZGTSZVLCK-INIZCTEOSA-N 0 3 288.391 3.271 20 30 CGEDHN CCCN1CCC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC000330675313 264014751 /nfs/dbraw/zinc/01/47/51/264014751.db2.gz RTMRBBQXXBZZRQ-ZDUSSCGKSA-N 0 3 293.411 3.285 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccc(Br)o1 ZINC000189508046 264303378 /nfs/dbraw/zinc/30/33/78/264303378.db2.gz XUWJYODIPHFDKA-UHFFFAOYSA-N 0 3 285.185 3.462 20 30 CGEDHN C=CCN(CCCCOC)Cc1ccc(OC)cc1 ZINC000074351065 264305080 /nfs/dbraw/zinc/30/50/80/264305080.db2.gz YZIDFSQVCGYLIA-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN COCC[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180560 264392119 /nfs/dbraw/zinc/39/21/19/264392119.db2.gz JREWKINDJIWQAF-LBPRGKRZSA-N 0 3 285.309 3.072 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281540898 264483453 /nfs/dbraw/zinc/48/34/53/264483453.db2.gz IPUDYUSSVQTMCG-CQSZACIVSA-N 0 3 281.396 3.330 20 30 CGEDHN C=C(C)CN(CC)Cc1ccnc(Br)c1 ZINC000293475561 264953561 /nfs/dbraw/zinc/95/35/61/264953561.db2.gz MBYCNAQNNRTZLR-UHFFFAOYSA-N 0 3 269.186 3.242 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccccc1SC ZINC000294091936 265007400 /nfs/dbraw/zinc/00/74/00/265007400.db2.gz LVGPUQFJICVENH-GFCCVEGCSA-N 0 3 251.395 3.262 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000185210892 265015426 /nfs/dbraw/zinc/01/54/26/265015426.db2.gz JOSJSBQILWLLFU-KRWDZBQOSA-N 0 3 288.435 3.473 20 30 CGEDHN Cc1ccccc1C[C@H](CO)N[C@@H](C)c1cccc(C#N)c1 ZINC000191572965 270075335 /nfs/dbraw/zinc/07/53/35/270075335.db2.gz GOMGUCREWDYSIR-HNAYVOBHSA-N 0 3 294.398 3.121 20 30 CGEDHN CCC(CC)[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000224636975 266006015 /nfs/dbraw/zinc/00/60/15/266006015.db2.gz WEDVAQQJMIBFJM-BLLLJJGKSA-N 0 3 260.381 3.006 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000356893561 266207456 /nfs/dbraw/zinc/20/74/56/266207456.db2.gz JZDFJEIMWZFLFU-BDAKNGLRSA-N 0 3 270.254 3.042 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000357802520 266368328 /nfs/dbraw/zinc/36/83/28/266368328.db2.gz VOZYLQKUTBEPTH-AWEZNQCLSA-N 0 3 270.376 3.160 20 30 CGEDHN COC[C@H]1CCCN1Cc1c(C#N)ccc2ccccc21 ZINC000527532994 270128696 /nfs/dbraw/zinc/12/86/96/270128696.db2.gz GEBORTJOOBHFGA-MRXNPFEDSA-N 0 3 280.371 3.322 20 30 CGEDHN C[C@@H](NCC[C@@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000527923114 270144392 /nfs/dbraw/zinc/14/43/92/270144392.db2.gz BVOBFDSTCYPKOA-OLZOCXBDSA-N 0 3 276.355 3.165 20 30 CGEDHN C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(C#N)cc1F ZINC000528004576 270150413 /nfs/dbraw/zinc/15/04/13/270150413.db2.gz QWMWYYVMBSKTPS-XMQPUEPBSA-N 0 3 276.355 3.160 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000362690230 267036000 /nfs/dbraw/zinc/03/60/00/267036000.db2.gz PJZQBUFYSTUVSL-ABAIWWIYSA-N 0 3 274.339 3.333 20 30 CGEDHN C[C@@H](NCC1(C#N)CCC1)C1CCC(F)(F)CC1 ZINC000418143234 267365400 /nfs/dbraw/zinc/36/54/00/267365400.db2.gz OXUPPKJPSMDWRC-LLVKDONJSA-N 0 3 256.340 3.484 20 30 CGEDHN C[C@H]1C[C@H](c2cccnc2)N(CCC(C)(C)C#N)C1 ZINC000376550411 267993587 /nfs/dbraw/zinc/99/35/87/267993587.db2.gz DUIJLVOAHZAFHS-DZGCQCFKSA-N 0 3 257.381 3.404 20 30 CGEDHN N#Cc1ccc(NC[C@@H]2CCN2C2CCCC2)c(F)c1 ZINC000528212971 268248895 /nfs/dbraw/zinc/24/88/95/268248895.db2.gz ZEGJMCUVFUIWGN-AWEZNQCLSA-N 0 3 273.355 3.126 20 30 CGEDHN COC[C@]1(C)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000296571965 274052882 /nfs/dbraw/zinc/05/28/82/274052882.db2.gz DETSGTMHZJGGEZ-MRXNPFEDSA-N 0 3 277.795 3.050 20 30 CGEDHN COCc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353412694 277611717 /nfs/dbraw/zinc/61/17/17/277611717.db2.gz MTGCPWLHCITQHU-LJQANCHMSA-N 0 3 292.382 3.482 20 30 CGEDHN COc1cc(CN[C@H]2CCc3ccccc32)ccc1C#N ZINC000235009995 277820038 /nfs/dbraw/zinc/82/00/38/277820038.db2.gz RZBWCZTZQFCEOZ-KRWDZBQOSA-N 0 3 278.355 3.344 20 30 CGEDHN CC[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000278621076 280939168 /nfs/dbraw/zinc/93/91/68/280939168.db2.gz GIEVUWUNOUVNOC-MGPUTAFESA-N 0 3 292.448 3.146 20 30 CGEDHN C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000543762473 288819284 /nfs/dbraw/zinc/81/92/84/288819284.db2.gz ZGBBMPWLDDPGCM-OPDFLTKYSA-N 0 3 276.355 3.304 20 30 CGEDHN COc1ccccc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000274209265 328209572 /nfs/dbraw/zinc/20/95/72/328209572.db2.gz NHEPNKSHXNHUPJ-MELADBBJSA-N 0 3 258.365 3.428 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000278527822 328226267 /nfs/dbraw/zinc/22/62/67/328226267.db2.gz DMQREWCPHJNOLC-WMLDXEAASA-N 0 3 282.387 3.274 20 30 CGEDHN CC(C)(C#N)CCCN1CCN(Cc2ccsc2)CC1 ZINC000534528665 328305445 /nfs/dbraw/zinc/30/54/45/328305445.db2.gz DVQZCKHCEISGCM-UHFFFAOYSA-N 0 3 291.464 3.196 20 30 CGEDHN CCC[C@@H]1[C@H](C)CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564211507 322023272 /nfs/dbraw/zinc/02/32/72/322023272.db2.gz KWKBRNGTWBKWOJ-CZUORRHYSA-N 0 3 297.406 3.002 20 30 CGEDHN N#Cc1ccc(CN(CCc2ccc(F)cc2)C2CC2)nc1 ZINC000565166324 322063957 /nfs/dbraw/zinc/06/39/57/322063957.db2.gz SIJNCEJWVJNHKN-UHFFFAOYSA-N 0 3 295.361 3.299 20 30 CGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCCC1 ZINC000566621909 322131899 /nfs/dbraw/zinc/13/18/99/322131899.db2.gz NFEYJJIOFIEEPV-UHFFFAOYSA-N 0 3 273.336 3.088 20 30 CGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000566741236 322136248 /nfs/dbraw/zinc/13/62/48/322136248.db2.gz UMKQZRHXQJPRFA-ZDUSSCGKSA-N 0 3 285.347 3.255 20 30 CGEDHN C[C@H](C1CCCCC1)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000567887243 322181437 /nfs/dbraw/zinc/18/14/37/322181437.db2.gz FSVCRHPKYXPYPD-CYBMUJFWSA-N 0 3 297.406 3.002 20 30 CGEDHN C[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC000569344617 322244082 /nfs/dbraw/zinc/24/40/82/322244082.db2.gz TXETZIGGRZAFHD-JMSVASOKSA-N 0 3 287.363 3.381 20 30 CGEDHN CC[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570283047 322269819 /nfs/dbraw/zinc/26/98/19/322269819.db2.gz KENGQCJIIKMUTC-TZMCWYRMSA-N 0 3 273.336 3.135 20 30 CGEDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1ccc(C#N)cn1 ZINC000571413722 322298192 /nfs/dbraw/zinc/29/81/92/322298192.db2.gz JJBZEADXBFECSX-CRAIPNDOSA-N 0 3 291.398 3.406 20 30 CGEDHN COC(=O)c1cccc(CN[C@H](C)C2CCCC2)c1C#N ZINC000574369506 322436871 /nfs/dbraw/zinc/43/68/71/322436871.db2.gz HVXABSWPJUPNDJ-GFCCVEGCSA-N 0 3 286.375 3.013 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCOC1 ZINC000389040250 328606181 /nfs/dbraw/zinc/60/61/81/328606181.db2.gz QLWJMFXNDTZPMK-SMDDNHRTSA-N 0 3 278.783 3.116 20 30 CGEDHN N#CC1CCC(CNCc2ccc(Cl)o2)CC1 ZINC000441377940 328437298 /nfs/dbraw/zinc/43/72/98/328437298.db2.gz GZPBZLZUJWWPOV-UHFFFAOYSA-N 0 3 252.745 3.353 20 30 CGEDHN CCCc1nc(C)c(CN2CCC(CCC#N)CC2)o1 ZINC000516864765 326960494 /nfs/dbraw/zinc/96/04/94/326960494.db2.gz GOBPJIHEKBMMSK-UHFFFAOYSA-N 0 3 275.396 3.451 20 30 CGEDHN CC(C)Oc1ccccc1[C@@H](C)NCCOCCC#N ZINC000559147152 327143245 /nfs/dbraw/zinc/14/32/45/327143245.db2.gz MPIBVPOXHGTPCG-CQSZACIVSA-N 0 3 276.380 3.055 20 30 CGEDHN C=CCOCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000559266862 327152351 /nfs/dbraw/zinc/15/23/51/327152351.db2.gz HERUAJBAQOOONA-AWEZNQCLSA-N 0 3 265.784 3.332 20 30 CGEDHN CCCN(CCCCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000102400186 327226932 /nfs/dbraw/zinc/22/69/32/327226932.db2.gz NPTAGXURWSXHKJ-OAHLLOKOSA-N 0 3 287.407 3.419 20 30 CGEDHN CC(C)(C#N)CCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000531101115 327246677 /nfs/dbraw/zinc/24/66/77/327246677.db2.gz DASWNPQMVBNUIU-LBPRGKRZSA-N 0 3 292.345 3.360 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152803095 327297896 /nfs/dbraw/zinc/29/78/96/327297896.db2.gz AKSZQEIVFKTHIK-NVXWUHKLSA-N 0 3 289.806 3.192 20 30 CGEDHN C=CCOc1cccc(CN[C@H](C)[C@H](OC)C2CC2)c1 ZINC000449632258 327398170 /nfs/dbraw/zinc/39/81/70/327398170.db2.gz QWFSADKLIDAZSD-DYVFJYSZSA-N 0 3 275.392 3.155 20 30 CGEDHN C=C(C)[C@H](N[C@H]1CCO[C@@H]1C)c1ccc(F)c(F)c1 ZINC000248563394 327499507 /nfs/dbraw/zinc/49/95/07/327499507.db2.gz NVTHUKAGYBNCPI-ONERCXAPSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)CC2CCCC2)CC1 ZINC000114331238 328644055 /nfs/dbraw/zinc/64/40/55/328644055.db2.gz NCLLMGHMLIAPDV-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1sccc1Br ZINC000393626141 329088118 /nfs/dbraw/zinc/08/81/18/329088118.db2.gz XWIZGEVALDHHEO-BDAKNGLRSA-N 0 3 290.226 3.098 20 30 CGEDHN C=CCN(CCOC)C[C@@H]1CCC2(CCCCC2)O1 ZINC000189423199 329382105 /nfs/dbraw/zinc/38/21/05/329382105.db2.gz XXYZHXAISQNOJZ-HNNXBMFYSA-N 0 3 267.413 3.003 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(C3CC3)cc2)C1=O ZINC000419329429 329721381 /nfs/dbraw/zinc/72/13/81/329721381.db2.gz FFNHOVVVAWOBPC-SUMWQHHRSA-N 0 3 284.403 3.002 20 30 CGEDHN C=CCn1cc(CN[C@H]2CC[C@@H](CCC(C)C)C2)nn1 ZINC000424166379 330309368 /nfs/dbraw/zinc/30/93/68/330309368.db2.gz AXDWOTNVZXDSMO-CABCVRRESA-N 0 3 276.428 3.159 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000424178307 330318168 /nfs/dbraw/zinc/31/81/68/330318168.db2.gz WLHLEZTVOPRTDX-SJORKVTESA-N 0 3 299.418 3.055 20 30 CGEDHN CC(C)(C)[C@H]1CN(C(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424182492 330319983 /nfs/dbraw/zinc/31/99/83/330319983.db2.gz AADOWADCSABNTM-LSDHHAIUSA-N 0 3 299.418 3.184 20 30 CGEDHN C=CCC[C@H](CC)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000424330144 330342132 /nfs/dbraw/zinc/34/21/32/330342132.db2.gz QJFPEMVHICWORF-MNOVXSKESA-N 0 3 282.409 3.325 20 30 CGEDHN CC#CCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000533148477 330351171 /nfs/dbraw/zinc/35/11/71/330351171.db2.gz OZOVXYXYSHUXJR-AWEZNQCLSA-N 0 3 277.795 3.454 20 30 CGEDHN C=CCC[C@H](NCC(=O)NC1CCCC1)c1ccccc1 ZINC000089592066 330386643 /nfs/dbraw/zinc/38/66/43/330386643.db2.gz DJCRABCICHNXDI-KRWDZBQOSA-N 0 3 286.419 3.342 20 30 CGEDHN C=C(C)COCCN[C@@H]1CSCCc2ccccc21 ZINC000090451362 330392676 /nfs/dbraw/zinc/39/26/76/330392676.db2.gz OTWNKALCHJGLPY-MRXNPFEDSA-N 0 3 277.433 3.199 20 30 CGEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000442874189 330789492 /nfs/dbraw/zinc/78/94/92/330789492.db2.gz LZKWYBWNMMFFAO-YDHLFZDLSA-N 0 3 256.349 3.019 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](CC(C)C)CN(C)C)CCCC1 ZINC000449805097 330950815 /nfs/dbraw/zinc/95/08/15/330950815.db2.gz OJSPHIMJSMMNIA-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCOCCCN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451405249 331027793 /nfs/dbraw/zinc/02/77/93/331027793.db2.gz HSIFHBXJHQXGQD-NWDGAFQWSA-N 0 3 265.319 3.242 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@]2(CCSC2)C1 ZINC000451986526 331049490 /nfs/dbraw/zinc/04/94/90/331049490.db2.gz XXUNNAPVYFGJGP-KRWDZBQOSA-N 0 3 271.429 3.257 20 30 CGEDHN C[C@H](Cc1cnccn1)N[C@H](CCC#N)c1ccccc1 ZINC000453163271 331095956 /nfs/dbraw/zinc/09/59/56/331095956.db2.gz CVJNTYSVJCOUFA-RHSMWYFYSA-N 0 3 280.375 3.042 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc2ccccc2n1 ZINC000453339144 331119010 /nfs/dbraw/zinc/11/90/10/331119010.db2.gz CUXZYIAVNPLGGW-UKRRQHHQSA-N 0 3 270.376 3.213 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(SC)cc1 ZINC000453341773 331119225 /nfs/dbraw/zinc/11/92/25/331119225.db2.gz CVFCSSKWYVCFJE-DFBGVHRSSA-N 0 3 263.406 3.403 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)sc1C ZINC000453360511 331122384 /nfs/dbraw/zinc/12/23/84/331122384.db2.gz OLAHXUHQJGNBLG-GDLCADMTSA-N 0 3 251.395 3.359 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H]1CCSc2ccc(OC)cc21 ZINC000453363236 331122813 /nfs/dbraw/zinc/12/28/13/331122813.db2.gz QRLJCDZBEJGGFC-IUODEOHRSA-N 0 3 293.432 3.149 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000453372279 331124290 /nfs/dbraw/zinc/12/42/90/331124290.db2.gz SELCCVOAQMUYCO-LBPRGKRZSA-N 0 3 276.380 3.270 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1nccc2ccccc21 ZINC000453376477 331124965 /nfs/dbraw/zinc/12/49/65/331124965.db2.gz XFFKEYLIJJYGTJ-ZFWWWQNUSA-N 0 3 270.376 3.213 20 30 CGEDHN CC(C)(CC#N)CNCc1cccc2cccnc21 ZINC000459689986 331294579 /nfs/dbraw/zinc/29/45/79/331294579.db2.gz IYRARSJITRTMEB-UHFFFAOYSA-N 0 3 253.349 3.264 20 30 CGEDHN COc1cc2c(c(CNCC(C)(C)CC#N)c1)O[C@@H](C)C2 ZINC000459690789 331294672 /nfs/dbraw/zinc/29/46/72/331294672.db2.gz JUGPDAHKJMAQSU-LBPRGKRZSA-N 0 3 288.391 3.048 20 30 CGEDHN C=CCC[C@@H](C)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459722275 331295838 /nfs/dbraw/zinc/29/58/38/331295838.db2.gz ZREKXHPIUJCNTH-SCDSUCTJSA-N 0 3 281.421 3.265 20 30 CGEDHN CC(C)c1ccc(C[C@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000461710580 331314073 /nfs/dbraw/zinc/31/40/73/331314073.db2.gz SIUYSGDEIPSEKW-GDBMZVCRSA-N 0 3 284.403 3.361 20 30 CGEDHN CCN(CC#Cc1cccc(Cl)c1)C[C@@H](C)OC ZINC000463425269 331347412 /nfs/dbraw/zinc/34/74/12/331347412.db2.gz HAAZVZMRJYBJEF-CYBMUJFWSA-N 0 3 265.784 3.048 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000464849836 331371219 /nfs/dbraw/zinc/37/12/19/331371219.db2.gz JEDXENQNJQVAFG-NVXWUHKLSA-N 0 3 289.806 3.192 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1c(C)nc2ccccn21 ZINC000489452245 332053622 /nfs/dbraw/zinc/05/36/22/332053622.db2.gz VWQZHKFFXCAQKB-AWEZNQCLSA-N 0 3 255.365 3.183 20 30 CGEDHN C=C[C@H]1CCCCN1CCOc1ccc(OC)cc1 ZINC000489502515 332057004 /nfs/dbraw/zinc/05/70/04/332057004.db2.gz YUZJQFZVCPIMBL-AWEZNQCLSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCC(C)(C)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000489958043 332074450 /nfs/dbraw/zinc/07/44/50/332074450.db2.gz RLAZKWNSKJOLNL-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc(C(=O)OC)c1 ZINC000491259474 332175874 /nfs/dbraw/zinc/17/58/74/332175874.db2.gz KQQFBRXVGDGGOQ-UHFFFAOYSA-N 0 3 299.370 3.297 20 30 CGEDHN C#CCN(CC)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000491669009 332276517 /nfs/dbraw/zinc/27/65/17/332276517.db2.gz WXSJPSXCDUFXHD-UHFFFAOYSA-N 0 3 299.201 3.277 20 30 CGEDHN C#C[C@@H](NC[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000491670887 332277931 /nfs/dbraw/zinc/27/79/31/332277931.db2.gz RDYPGMZSYWDVOV-IUODEOHRSA-N 0 3 263.768 3.031 20 30 CGEDHN C#C[C@@H](NCc1cc(F)cc2cccnc21)C(C)C ZINC000491712322 332303539 /nfs/dbraw/zinc/30/35/39/332303539.db2.gz ZGQHUSAKJFESMS-OAHLLOKOSA-N 0 3 256.324 3.121 20 30 CGEDHN C#C[C@@H](CC)NCc1cnc(-c2ccsc2)s1 ZINC000491772407 332338628 /nfs/dbraw/zinc/33/86/28/332338628.db2.gz TWZWUOLTLYRRJA-NSHDSACASA-N 0 3 262.403 3.373 20 30 CGEDHN C#C[C@@H](NCc1cccc(OCCCC#N)c1)C(C)C ZINC000491788085 332350295 /nfs/dbraw/zinc/35/02/95/332350295.db2.gz WVFHLIULKSOUMU-QGZVFWFLSA-N 0 3 270.376 3.117 20 30 CGEDHN C=C(C)CN1CCC(NCc2nc(CCC)cs2)CC1 ZINC000494069168 332462492 /nfs/dbraw/zinc/46/24/92/332462492.db2.gz MXZINHPISOHIIF-UHFFFAOYSA-N 0 3 293.480 3.226 20 30 CGEDHN C=C(Cl)CN[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000494591222 332478938 /nfs/dbraw/zinc/47/89/38/332478938.db2.gz VKAUAYRFPLUFFM-GHMZBOCLSA-N 0 3 276.808 3.020 20 30 CGEDHN C=C(C)CN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496475330 332550636 /nfs/dbraw/zinc/55/06/36/332550636.db2.gz NVQFRMQSRYVLDA-UHFFFAOYSA-N 0 3 280.412 3.038 20 30 CGEDHN CC(C#N)C(=O)NCc1cccc(OCc2ccccc2)c1 ZINC000336726309 335116116 /nfs/dbraw/zinc/11/61/16/335116116.db2.gz YMVGDVUFFJAQKQ-CQSZACIVSA-N 0 3 294.354 3.041 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000178540820 333074957 /nfs/dbraw/zinc/07/49/57/333074957.db2.gz LLAOCOWQHVXNOB-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN CC(C)C[C@@H](CO)N(C)CC#Cc1cccc(Cl)c1 ZINC000185336219 333139051 /nfs/dbraw/zinc/13/90/51/333139051.db2.gz IUYFZGJKBKRYCN-INIZCTEOSA-N 0 3 279.811 3.030 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000220336608 333165403 /nfs/dbraw/zinc/16/54/03/333165403.db2.gz BOQRDXPATHDANQ-LJQANCHMSA-N 0 3 281.399 3.278 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1C[C@@H](OC)C1(C)C ZINC000227827078 333288745 /nfs/dbraw/zinc/28/87/45/333288745.db2.gz TZXVYPRMRYPAFP-JKSUJKDBSA-N 0 3 275.392 3.155 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H](OC)C1(C)C ZINC000227827083 333288905 /nfs/dbraw/zinc/28/89/05/333288905.db2.gz TZXVYPRMRYPAFP-CVEARBPZSA-N 0 3 275.392 3.155 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(Br)cs1 ZINC000229533462 333305868 /nfs/dbraw/zinc/30/58/68/333305868.db2.gz ZSUAILLQJVWAPX-VIFPVBQESA-N 0 3 258.184 3.012 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000575926861 335132069 /nfs/dbraw/zinc/13/20/69/335132069.db2.gz LHNTUQHIWIXBLD-SJORKVTESA-N 0 3 289.806 3.335 20 30 CGEDHN Cc1ncc(CN2CCC(CC#N)CC2)n1-c1ccccc1 ZINC000540995959 333757404 /nfs/dbraw/zinc/75/74/04/333757404.db2.gz VJNMHSTVRHPMCI-UHFFFAOYSA-N 0 3 294.402 3.306 20 30 CGEDHN CSc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000174560578 335158931 /nfs/dbraw/zinc/15/89/31/335158931.db2.gz UIAYYVMKTXFJLQ-UHFFFAOYSA-N 0 3 298.411 3.449 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC(C)(C)c1cccs1 ZINC000543497834 333878385 /nfs/dbraw/zinc/87/83/85/333878385.db2.gz UKVPAGVVNQPZQG-CYBMUJFWSA-N 0 3 294.464 3.386 20 30 CGEDHN C=CCOCCCN1CCC[C@@H]1c1cccc(C)n1 ZINC000547767634 334115834 /nfs/dbraw/zinc/11/58/34/334115834.db2.gz CXPCEEAPCMXYMW-MRXNPFEDSA-N 0 3 260.381 3.120 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@](CO)(CCC)C2)cc1 ZINC000564330920 334118026 /nfs/dbraw/zinc/11/80/26/334118026.db2.gz UEUCMTNKFVTDEO-GOSISDBHSA-N 0 3 289.419 3.236 20 30 CGEDHN C=C(C)CN1CCC(N[C@@H](C)c2cn3ccccc3n2)CC1 ZINC000548056385 334137237 /nfs/dbraw/zinc/13/72/37/334137237.db2.gz GEASOUMDRXHIPC-HNNXBMFYSA-N 0 3 298.434 3.025 20 30 CGEDHN CC(C)c1nc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)no1 ZINC000549401667 334192532 /nfs/dbraw/zinc/19/25/32/334192532.db2.gz SHOWQJGDWQPROC-JSGCOSHPSA-N 0 3 288.395 3.065 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000551423609 334250073 /nfs/dbraw/zinc/25/00/73/334250073.db2.gz NVTGOTACZREBRM-IRXDYDNUSA-N 0 3 289.806 3.335 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000249116881 334328208 /nfs/dbraw/zinc/32/82/08/334328208.db2.gz WLTSRMRCLQIFLF-KZNAEPCWSA-N 0 3 281.403 3.431 20 30 CGEDHN COC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000090180651 334358413 /nfs/dbraw/zinc/35/84/13/334358413.db2.gz XYTODOOLEIBLNO-OAHLLOKOSA-N 0 3 299.336 3.318 20 30 CGEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)CC#N ZINC000572582726 334700270 /nfs/dbraw/zinc/70/02/70/334700270.db2.gz VMFITTSWGDHKDM-GFCCVEGCSA-N 0 3 275.352 3.494 20 30 CGEDHN CC(C)c1nc(CNCCCCC#N)c2ccccn21 ZINC000576524573 335214830 /nfs/dbraw/zinc/21/48/30/335214830.db2.gz WRDBKIKWLATZGS-UHFFFAOYSA-N 0 3 270.380 3.241 20 30 CGEDHN N#Cc1ccc(CNCc2ccc(-n3ccnc3)cc2)s1 ZINC000176956727 335344839 /nfs/dbraw/zinc/34/48/39/335344839.db2.gz KOQHFYDKJDUZPO-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN C[C@H](CNCc1cc(C#N)cs1)Oc1cccc(F)c1 ZINC000177706865 335380322 /nfs/dbraw/zinc/38/03/22/335380322.db2.gz ZHDXYCKDKCDVCK-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000178887937 335457848 /nfs/dbraw/zinc/45/78/48/335457848.db2.gz SQTYKXFWTYQXMI-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC[C@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000179990924 335538706 /nfs/dbraw/zinc/53/87/06/335538706.db2.gz DHXBNRADSJVRLE-ZDUSSCGKSA-N 0 3 281.346 3.261 20 30 CGEDHN Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000181779945 335785051 /nfs/dbraw/zinc/78/50/51/335785051.db2.gz SQPYYIBMBAVTOV-RYUDHWBXSA-N 0 3 283.375 3.445 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccc(C)c1C ZINC000183709247 335902687 /nfs/dbraw/zinc/90/26/87/335902687.db2.gz KQNUBFAUUODRFG-INIZCTEOSA-N 0 3 286.419 3.155 20 30 CGEDHN C[C@H]1C[C@@H](CN(CCC#N)CC(C)(C)C)CCO1 ZINC000352690400 534078060 /nfs/dbraw/zinc/07/80/60/534078060.db2.gz DTMTULJJHPERRF-KBPBESRZSA-N 0 3 252.402 3.063 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000347362369 534284181 /nfs/dbraw/zinc/28/41/81/534284181.db2.gz BSWFRLBTMAELES-CHWSQXEVSA-N 0 3 279.343 3.085 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000347441803 534284840 /nfs/dbraw/zinc/28/48/40/534284840.db2.gz CAAOEIMZDQMJLQ-GMTAPVOTSA-N 0 3 298.308 3.473 20 30 CGEDHN CCc1cccc2c1OCC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000442871959 517857875 /nfs/dbraw/zinc/85/78/75/517857875.db2.gz XZAHMDJMSFLECE-NOLJZWGESA-N 0 3 270.376 3.354 20 30 CGEDHN C=CC[C@H](C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000190184789 534328226 /nfs/dbraw/zinc/32/82/26/534328226.db2.gz SRHODFTZQZGBLH-KYJSFNMBSA-N 0 3 298.430 3.088 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000411661157 518177082 /nfs/dbraw/zinc/17/70/82/518177082.db2.gz BGUHDTAACGGGGX-AWEZNQCLSA-N 0 3 286.423 3.091 20 30 CGEDHN C=CCCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000183488203 518702956 /nfs/dbraw/zinc/70/29/56/518702956.db2.gz CHOSJNFVSHOSLI-NSHDSACASA-N 0 3 267.344 3.460 20 30 CGEDHN CC(C)(C)[C@H](CCO)NCC#Cc1ccc(Cl)cc1 ZINC000183667449 518956114 /nfs/dbraw/zinc/95/61/14/518956114.db2.gz KWJVVENSMOFGDT-HNNXBMFYSA-N 0 3 279.811 3.078 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc3ccc(F)cc3[nH]2)C1 ZINC000335286637 534754985 /nfs/dbraw/zinc/75/49/85/534754985.db2.gz YPWDPPONVMZHEB-GXFFZTMASA-N 0 3 257.312 3.089 20 30 CGEDHN C=CC1CCN(C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000746674325 572890912 /nfs/dbraw/zinc/89/09/12/572890912.db2.gz UQIQGXZATIUBOZ-INIZCTEOSA-N 0 3 263.356 3.066 20 30 CGEDHN C=CCN(CCc1ccco1)CC[C@H]1CCCCO1 ZINC000347784579 526325738 /nfs/dbraw/zinc/32/57/38/526325738.db2.gz AVWSOCXQXINGAT-OAHLLOKOSA-N 0 3 263.381 3.269 20 30 CGEDHN C=C(C)CNCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000352853405 526624267 /nfs/dbraw/zinc/62/42/67/526624267.db2.gz MYXOVASVXRJVRK-UHFFFAOYSA-N 0 3 261.756 3.396 20 30 CGEDHN N#Cc1cccc(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291514559 526703819 /nfs/dbraw/zinc/70/38/19/526703819.db2.gz IPLNMHVBFTXLFC-INIZCTEOSA-N 0 3 252.361 3.323 20 30 CGEDHN C=CCCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000353824269 527094840 /nfs/dbraw/zinc/09/48/40/527094840.db2.gz ISNICQRVJNJXCE-KRWDZBQOSA-N 0 3 298.430 3.124 20 30 CGEDHN C=CCCCN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000344534411 527194156 /nfs/dbraw/zinc/19/41/56/527194156.db2.gz ZTPACYRCTODRRP-MRXNPFEDSA-N 0 3 272.392 3.080 20 30 CGEDHN C=CCCCN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347359579 527196591 /nfs/dbraw/zinc/19/65/91/527196591.db2.gz WIFCHVGHWVNHJW-HUUCEWRRSA-N 0 3 277.433 3.453 20 30 CGEDHN Cn1cc(CNCc2cc3ccccc3s2)cc1C#N ZINC000339417410 527217670 /nfs/dbraw/zinc/21/76/70/527217670.db2.gz ROKHSWCNXWDQRD-UHFFFAOYSA-N 0 3 281.384 3.401 20 30 CGEDHN C=CCC[C@H](NCCN(CC)C1CC1)c1ccco1 ZINC000353495857 527484041 /nfs/dbraw/zinc/48/40/41/527484041.db2.gz KDDCKEUVJFUPPD-HNNXBMFYSA-N 0 3 262.397 3.361 20 30 CGEDHN C=CCC[C@H](NCCC[C@H](O)CC)c1ccco1 ZINC000353626616 527484113 /nfs/dbraw/zinc/48/41/13/527484113.db2.gz YHPYHEQXNGJLHI-KGLIPLIRSA-N 0 3 251.370 3.428 20 30 CGEDHN CCCN(CCC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441182961 528060661 /nfs/dbraw/zinc/06/06/61/528060661.db2.gz VSMKBABWYGYACS-UHFFFAOYSA-N 0 3 284.363 3.230 20 30 CGEDHN CCN(CC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356061967 528186332 /nfs/dbraw/zinc/18/63/32/528186332.db2.gz UUIKDZPPRAWRAP-UHFFFAOYSA-N 0 3 256.271 3.419 20 30 CGEDHN CCC(CC)(CNC(=O)C(C)C#N)c1ccccc1 ZINC000345631214 528685390 /nfs/dbraw/zinc/68/53/90/528685390.db2.gz LXGIJWLSGOKLSI-CYBMUJFWSA-N 0 3 258.365 3.020 20 30 CGEDHN CCCCCCCCC(=O)N1CCCN(CC)CC1 ZINC000748850748 572986902 /nfs/dbraw/zinc/98/69/02/572986902.db2.gz IRBMFDNMCLFOMA-UHFFFAOYSA-N 0 3 268.445 3.291 20 30 CGEDHN N#Cc1ccccc1CSCCNCc1ccoc1 ZINC000727467628 571747504 /nfs/dbraw/zinc/74/75/04/571747504.db2.gz JJQCSNBDQUHVNR-UHFFFAOYSA-N 0 3 272.373 3.174 20 30 CGEDHN CCCCCCCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730792492 572376342 /nfs/dbraw/zinc/37/63/42/572376342.db2.gz BQAAOSBAAVTKEG-INIZCTEOSA-N 0 3 280.456 3.434 20 30 CGEDHN C#CCSCCNCc1ccc(OCC=C)c(Cl)c1 ZINC000740014969 572428865 /nfs/dbraw/zinc/42/88/65/572428865.db2.gz QLPPTMIGNHZAAI-UHFFFAOYSA-N 0 3 295.835 3.361 20 30 CGEDHN CC#CCN1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000741785236 572528366 /nfs/dbraw/zinc/52/83/66/572528366.db2.gz XTEMVFJROWPHTK-HNNXBMFYSA-N 0 3 292.220 3.479 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CNCCC(F)(F)F)cc1 ZINC000742390632 572574628 /nfs/dbraw/zinc/57/46/28/572574628.db2.gz KHTNBIILFCYMRB-SNVBAGLBSA-N 0 3 272.270 3.019 20 30 CGEDHN C#CCN(C[C@@H](O)c1c(F)cccc1F)C1CCCCC1 ZINC000744213847 572724147 /nfs/dbraw/zinc/72/41/47/572724147.db2.gz OBFQEHFLTRDYQU-MRXNPFEDSA-N 0 3 293.357 3.266 20 30 CGEDHN C#CCN(CC)[C@@H](C)c1ccc(Br)cc1 ZINC000746144098 572856938 /nfs/dbraw/zinc/85/69/38/572856938.db2.gz KSHRUJNBJIOCPE-NSHDSACASA-N 0 3 266.182 3.465 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCOC(C)(C)C)c([O-])c1 ZINC000746681598 572891570 /nfs/dbraw/zinc/89/15/70/572891570.db2.gz LWBMUKGXKAGMSF-QGOAFFKASA-N 0 3 292.423 3.472 20 30 CGEDHN CCN(CCc1ccccn1)Cc1cc(C#N)ccc1OC ZINC000747668267 572939755 /nfs/dbraw/zinc/93/97/55/572939755.db2.gz CLWPEBCONZCAPH-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819729823 607011943 /nfs/dbraw/zinc/01/19/43/607011943.db2.gz NGIXYXJRSBHZKC-AVGNSLFASA-N 0 3 285.395 3.118 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819729823 607011944 /nfs/dbraw/zinc/01/19/44/607011944.db2.gz NGIXYXJRSBHZKC-AVGNSLFASA-N 0 3 285.395 3.118 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819733760 607015022 /nfs/dbraw/zinc/01/50/22/607015022.db2.gz BDIXEWBKZZQXFA-WFASDCNBSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819733760 607015024 /nfs/dbraw/zinc/01/50/24/607015024.db2.gz BDIXEWBKZZQXFA-WFASDCNBSA-N 0 3 285.395 3.262 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993316 613323955 /nfs/dbraw/zinc/32/39/55/613323955.db2.gz IWXFVIJIVKIPOW-ZBFHGGJFSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565598 613332735 /nfs/dbraw/zinc/33/27/35/613332735.db2.gz HNJHSTOKDMLPSQ-QAETUUGQSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885153 613333437 /nfs/dbraw/zinc/33/34/37/613333437.db2.gz CRTMELKDFWCZOB-WMLDXEAASA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977629882 613337554 /nfs/dbraw/zinc/33/75/54/613337554.db2.gz YTKNIQQCMXFKHV-MRXNPFEDSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CCC1 ZINC000960255821 613350476 /nfs/dbraw/zinc/35/04/76/613350476.db2.gz KTDGDVMZRSHINW-IEBWSBKVSA-N 0 3 298.430 3.125 20 30 CGEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968504129 613516725 /nfs/dbraw/zinc/51/67/25/613516725.db2.gz DXZCZJIJDPZPSS-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C2CCC2)C1 ZINC000980287195 613622487 /nfs/dbraw/zinc/62/24/87/613622487.db2.gz WEXKGILXURREKH-MRXNPFEDSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC000980506907 613636536 /nfs/dbraw/zinc/63/65/36/613636536.db2.gz HZPYPQVIQFTGCI-ZDUSSCGKSA-N 0 3 292.448 3.204 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc3ccccc32)C1 ZINC000980312822 613637606 /nfs/dbraw/zinc/63/76/06/613637606.db2.gz OFWPFZHCXRAKLS-INIZCTEOSA-N 0 3 294.398 3.172 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)C3(CC)CCCC3)C2)C1 ZINC000982094030 613677564 /nfs/dbraw/zinc/67/75/64/613677564.db2.gz YOVWNUQGEZRYDN-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2)C[C@H]1C ZINC000947961557 613754165 /nfs/dbraw/zinc/75/41/65/613754165.db2.gz CHUOORYPLVBWHK-IUODEOHRSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000940615496 613780793 /nfs/dbraw/zinc/78/07/93/613780793.db2.gz OKZHLOPCTSVQKS-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2coc3ccccc23)C[C@@H]1C ZINC000948093780 613798348 /nfs/dbraw/zinc/79/83/48/613798348.db2.gz AKDXTZWQHLZKTR-KBPBESRZSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CC2CCCCCC2)C(C)(C)C1 ZINC000975089359 613826579 /nfs/dbraw/zinc/82/65/79/613826579.db2.gz DPEAOXORIWTMEM-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN CCC#C[C@@H](C)N1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933074201 618138220 /nfs/dbraw/zinc/13/82/20/618138220.db2.gz YJQIKKUUPPVTKI-WBVHZDCISA-N 0 3 299.414 3.139 20 30 CGEDHN C#CCC1(N[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000933298220 618194489 /nfs/dbraw/zinc/19/44/89/618194489.db2.gz DMLAOPKCBWQXGG-LBPRGKRZSA-N 0 3 258.321 3.191 20 30 CGEDHN COCCCC1(CN(CCC#N)CC(C)C)CCC1 ZINC000891464194 618227764 /nfs/dbraw/zinc/22/77/64/618227764.db2.gz DIMKIXAKADXJRS-UHFFFAOYSA-N 0 3 266.429 3.455 20 30 CGEDHN C=CCOCCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933817991 618334994 /nfs/dbraw/zinc/33/49/94/618334994.db2.gz FKHNGVKEIMOWNA-UHFFFAOYSA-N 0 3 282.387 3.460 20 30 CGEDHN C=C1CCC(C(=O)C(C#N)C(=O)NCCCCCC)CC1 ZINC000892464316 618792428 /nfs/dbraw/zinc/79/24/28/618792428.db2.gz BSJDRWRGKJAUIH-HNNXBMFYSA-N 0 3 290.407 3.138 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000229895298 618870123 /nfs/dbraw/zinc/87/01/23/618870123.db2.gz FTLFIVJCQDDMAD-LBPRGKRZSA-N 0 3 259.246 3.346 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@H](Cc2nccs2)C1 ZINC000932205301 619309874 /nfs/dbraw/zinc/30/98/74/619309874.db2.gz WCTRXUTZQQHCJE-QWHCGFSZSA-N 0 3 263.410 3.090 20 30 CGEDHN C#C[C@H](NC1CC2(C1)CO[C@@H](C)C2)c1ccc(F)cc1 ZINC000894576014 619579900 /nfs/dbraw/zinc/57/99/00/619579900.db2.gz YMCIYBBJGHOCDZ-FDTVDDQNSA-N 0 3 273.351 3.047 20 30 CGEDHN C=C(Cl)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253085977 619707580 /nfs/dbraw/zinc/70/75/80/619707580.db2.gz AEQVECBEGIYEJA-MCIONIFRSA-N 0 3 257.805 3.145 20 30 CGEDHN C#CCN(CCCO)C(c1ccccc1)c1ccccc1 ZINC000067399294 619718171 /nfs/dbraw/zinc/71/81/71/619718171.db2.gz DJAZTFJMAKCXDU-UHFFFAOYSA-N 0 3 279.383 3.094 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc3c(c2)CCCO3)C1 ZINC000895313108 619804472 /nfs/dbraw/zinc/80/44/72/619804472.db2.gz CQWIQLDWBDENKE-CQSZACIVSA-N 0 3 270.376 3.137 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](c1ccccc1)[C@@H](C)O ZINC000895473114 619835457 /nfs/dbraw/zinc/83/54/57/619835457.db2.gz LZAIMLNGLGRVOR-DNVCBOLYSA-N 0 3 294.398 3.387 20 30 CGEDHN C=CCOc1ccc(CN2CCC(O)(CC=C)CC2)cc1 ZINC000895836235 619895615 /nfs/dbraw/zinc/89/56/15/619895615.db2.gz ZLTPPXCMJJNASG-UHFFFAOYSA-N 0 3 287.403 3.154 20 30 CGEDHN CC(C)(CNCc1cccc(F)c1C#N)C1CCOCC1 ZINC000897446020 620338920 /nfs/dbraw/zinc/33/89/20/620338920.db2.gz QPKZSWKEMPATOQ-UHFFFAOYSA-N 0 3 290.382 3.240 20 30 CGEDHN COc1c(Cl)cccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000897481446 620347796 /nfs/dbraw/zinc/34/77/96/620347796.db2.gz DWVILDOEXKPCIV-PWSUYJOCSA-N 0 3 264.756 3.130 20 30 CGEDHN N#Cc1cccc(CN[C@H]2C[C@H](c3ccc(F)cc3F)C2)n1 ZINC000897882914 620443564 /nfs/dbraw/zinc/44/35/64/620443564.db2.gz XRMFHMOFUFEPNT-FUKZOUPISA-N 0 3 299.324 3.267 20 30 CGEDHN C=CCCCN(CC)Cc1c2c(nn1C)CCCC2 ZINC000898244112 620496449 /nfs/dbraw/zinc/49/64/49/620496449.db2.gz CXXOEQVAFPLPCS-UHFFFAOYSA-N 0 3 261.413 3.087 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000163521138 620515736 /nfs/dbraw/zinc/51/57/36/620515736.db2.gz WNEZTUALXPQWGW-HNNXBMFYSA-N 0 3 285.391 3.116 20 30 CGEDHN CN(C)C[C@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000921501881 625450781 /nfs/dbraw/zinc/45/07/81/625450781.db2.gz BGYWKHZAQUNFGU-INIZCTEOSA-N 0 3 285.416 3.012 20 30 CGEDHN C[C@H](C[C@@H](O)c1ccccc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902848609 621471494 /nfs/dbraw/zinc/47/14/94/621471494.db2.gz UDYHZKBIRONOOY-QWQRMKEZSA-N 0 3 295.386 3.116 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902956336 621506325 /nfs/dbraw/zinc/50/63/25/621506325.db2.gz HPSYMVYINFITJT-DAXOMENPSA-N 0 3 287.407 3.196 20 30 CGEDHN C=CCC[C@@H](NCC(C)(C)C#N)[C@]1(C)CCCCO1 ZINC000903101670 621574790 /nfs/dbraw/zinc/57/47/90/621574790.db2.gz KOBKKYPBJRAORW-ZBFHGGJFSA-N 0 3 264.413 3.420 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903094327 621586275 /nfs/dbraw/zinc/58/62/75/621586275.db2.gz MQDIBOKUOXLUKN-ZYHUDNBSSA-N 0 3 288.313 3.078 20 30 CGEDHN C=CC[C@@H](CO)N[C@H]1CCCc2ccc(OC)c(Cl)c21 ZINC000903154785 621600323 /nfs/dbraw/zinc/60/03/23/621600323.db2.gz WPTOBYMZQGOQAZ-STQMWFEESA-N 0 3 295.810 3.253 20 30 CGEDHN CC[C@@H]1CC[C@H](C)C[C@H]1NCc1nc(C#N)cs1 ZINC000903263516 621648708 /nfs/dbraw/zinc/64/87/08/621648708.db2.gz NOONCLATBYMDHY-DMDPSCGWSA-N 0 3 263.410 3.319 20 30 CGEDHN CCCc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905084133 622033200 /nfs/dbraw/zinc/03/32/00/622033200.db2.gz HOWHXAUUXCVSCN-LUHPIMIVSA-N 0 3 267.332 3.072 20 30 CGEDHN CC1/C(=C/c2ccsc2C(F)(F)F)C(=O)c2ncnn21 ZINC000905086944 622033851 /nfs/dbraw/zinc/03/38/51/622033851.db2.gz UWBPLIHTJOPMGI-OJYYCGRUSA-N 0 3 299.277 3.199 20 30 CGEDHN C=CCc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906207352 622186826 /nfs/dbraw/zinc/18/68/26/622186826.db2.gz UZCBCSORDZAWEJ-MRXNPFEDSA-N 0 3 265.360 3.297 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000912243214 622624093 /nfs/dbraw/zinc/62/40/93/622624093.db2.gz DISTUDXCTDPPTH-AWEZNQCLSA-N 0 3 271.364 3.098 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000912353567 622640065 /nfs/dbraw/zinc/64/00/65/622640065.db2.gz UOZIKBZFVWAABM-ABAIWWIYSA-N 0 3 296.361 3.168 20 30 CGEDHN CCCCCCCCC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912921828 622711040 /nfs/dbraw/zinc/71/10/40/622711040.db2.gz KNLQVQMMKIPGMU-OAHLLOKOSA-N 0 3 266.429 3.044 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000164632845 622839739 /nfs/dbraw/zinc/83/97/39/622839739.db2.gz MBOABXFJNBOGNX-QWHCGFSZSA-N 0 3 257.805 3.456 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(C)c(Br)c1 ZINC000229883967 623171809 /nfs/dbraw/zinc/17/18/09/623171809.db2.gz LLLHWTJDSJCPBR-LBPRGKRZSA-N 0 3 266.182 3.259 20 30 CGEDHN CCN(CCSC)Cc1cc(Cl)ccc1OCC#N ZINC000830999782 623655388 /nfs/dbraw/zinc/65/53/88/623655388.db2.gz SZYCOBKJYKVCRI-UHFFFAOYSA-N 0 3 298.839 3.427 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992979399 623766536 /nfs/dbraw/zinc/76/65/36/623766536.db2.gz DMKQBNKWPGLZLB-DOTOQJQBSA-N 0 3 286.419 3.154 20 30 CGEDHN C(=NOC[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000788034498 623886981 /nfs/dbraw/zinc/88/69/81/623886981.db2.gz SBQJUPIKZLJPOJ-INIZCTEOSA-N 0 3 288.391 3.064 20 30 CGEDHN N#CC(C(=O)CC1CC1)c1ccc2ccccc2n1 ZINC000916848130 624216350 /nfs/dbraw/zinc/21/63/50/624216350.db2.gz BWNAZDINCHJLOA-ZDUSSCGKSA-N 0 3 250.301 3.211 20 30 CGEDHN Cc1cccc(OCCNCc2csc(C#N)c2)c1 ZINC000921488772 624595629 /nfs/dbraw/zinc/59/56/29/624595629.db2.gz IGJRNKGTKVHRHB-UHFFFAOYSA-N 0 3 272.373 3.097 20 30 CGEDHN Cc1ncsc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000071212784 625065430 /nfs/dbraw/zinc/06/54/30/625065430.db2.gz LVMJRIPCGJFBCV-LLVKDONJSA-N 0 3 287.388 3.205 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cscc2C)C1 ZINC000998590775 625816824 /nfs/dbraw/zinc/81/68/24/625816824.db2.gz BVPAXDVFAOOUHW-UHFFFAOYSA-N 0 3 298.839 3.002 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001001481241 625897841 /nfs/dbraw/zinc/89/78/41/625897841.db2.gz NMOFHDBCGHWPRY-MRXNPFEDSA-N 0 3 290.451 3.137 20 30 CGEDHN Cc1nc(CNC(C)(C)Cc2ccc(C#N)cc2)[nH]c1C ZINC000922604541 626019524 /nfs/dbraw/zinc/01/95/24/626019524.db2.gz URKQIYFKPGIGCC-UHFFFAOYSA-N 0 3 282.391 3.009 20 30 CGEDHN C=C1CCC(CNCc2ncc(C3OCCO3)s2)CC1 ZINC000922712043 626037961 /nfs/dbraw/zinc/03/79/61/626037961.db2.gz XXHDXCDPYWIIKR-UHFFFAOYSA-N 0 3 294.420 3.025 20 30 CGEDHN CCOc1ccc(C[NH2+]Cc2ccc(C)c(C#N)c2)c([O-])c1 ZINC000922759362 626042891 /nfs/dbraw/zinc/04/28/91/626042891.db2.gz OXLIDTLREBKLFU-UHFFFAOYSA-N 0 3 296.370 3.261 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccsc2C)CC1 ZINC001005364358 626089450 /nfs/dbraw/zinc/08/94/50/626089450.db2.gz CZCZUJNDZDJKKW-UHFFFAOYSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756733602 626728958 /nfs/dbraw/zinc/72/89/58/626728958.db2.gz RBBMLVDMGATTPD-OIBJUYFYSA-N 0 3 255.720 3.422 20 30 CGEDHN C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756761955 626730080 /nfs/dbraw/zinc/73/00/80/626730080.db2.gz VMNDLTMWDYMJKU-DGCLKSJQSA-N 0 3 279.355 3.262 20 30 CGEDHN C=CCN(Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000757924073 626814735 /nfs/dbraw/zinc/81/47/35/626814735.db2.gz VNLQYFPRJQQMCV-ZDUSSCGKSA-N 0 3 256.349 3.128 20 30 CGEDHN N#Cc1ccc(-c2ccn(CN3CCC4(CCC4)C3)n2)cc1 ZINC000758393889 626841324 /nfs/dbraw/zinc/84/13/24/626841324.db2.gz PLFOSCCVZIYKLD-UHFFFAOYSA-N 0 3 292.386 3.255 20 30 CGEDHN CCC(=NNC1CCCC1)c1ccc(N(C)C)cc1 ZINC000759195538 626880317 /nfs/dbraw/zinc/88/03/17/626880317.db2.gz OIFOZOSCKGGBJQ-UHFFFAOYSA-N 0 3 259.397 3.399 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759868281 626928406 /nfs/dbraw/zinc/92/84/06/626928406.db2.gz UOKTTWZHAYKFPB-ZDUSSCGKSA-N 0 3 257.736 3.020 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc(OC(F)(F)F)cc2)CN1C ZINC000761805023 627061680 /nfs/dbraw/zinc/06/16/80/627061680.db2.gz VYDJWRDXDAUGNW-VIFPVBQESA-N 0 3 287.285 3.077 20 30 CGEDHN CC(C)CCCON=Cc1ccc(N2CCOCC2)cc1 ZINC000762189698 627100323 /nfs/dbraw/zinc/10/03/23/627100323.db2.gz LMKIMRKYKFRERT-UHFFFAOYSA-N 0 3 290.407 3.310 20 30 CGEDHN C#CCN(CCCC1CCOCC1)Cc1ccc(F)cc1 ZINC000769460822 627555393 /nfs/dbraw/zinc/55/53/93/627555393.db2.gz XRENOQDVLZNRAY-UHFFFAOYSA-N 0 3 289.394 3.468 20 30 CGEDHN CCCN(CCC)c1ccc(C=NNC[C@@H](C)C#N)cc1 ZINC000771108947 627684545 /nfs/dbraw/zinc/68/45/45/627684545.db2.gz WJKWGGXJSWUQJX-HNNXBMFYSA-N 0 3 286.423 3.396 20 30 CGEDHN CC(C)CNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000771558023 627718970 /nfs/dbraw/zinc/71/89/70/627718970.db2.gz SZHNJVCFOPLRIU-HNNXBMFYSA-N 0 3 251.418 3.017 20 30 CGEDHN C#CCCCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000773276528 627870382 /nfs/dbraw/zinc/87/03/82/627870382.db2.gz WDVVLHZRAKFCNP-SJLPKXTDSA-N 0 3 298.430 3.132 20 30 CGEDHN CCc1cc(CN[C@@H](CC)c2ccc(C#N)cc2)n[nH]1 ZINC000774194696 627959897 /nfs/dbraw/zinc/95/98/97/627959897.db2.gz YTSBCALSXPAVOR-INIZCTEOSA-N 0 3 268.364 3.085 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000775185244 628069093 /nfs/dbraw/zinc/06/90/93/628069093.db2.gz ZQIYTOXLBRQEGW-ZDUSSCGKSA-N 0 3 262.372 3.125 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000775260766 628076110 /nfs/dbraw/zinc/07/61/10/628076110.db2.gz CVEJVHHCNFSQGH-ZIAGYGMSSA-N 0 3 286.375 3.096 20 30 CGEDHN C[C@@H](NCc1cccc2nsnc21)c1cccc(C#N)c1 ZINC000775335948 628083868 /nfs/dbraw/zinc/08/38/68/628083868.db2.gz VHQPQSIKGCUSTQ-LLVKDONJSA-N 0 3 294.383 3.414 20 30 CGEDHN C#CC[C@@H](NCCC(=O)OCCCC)c1ccccc1 ZINC000775400255 628091025 /nfs/dbraw/zinc/09/10/25/628091025.db2.gz XTSNLHNQOXVXKR-MRXNPFEDSA-N 0 3 273.376 3.074 20 30 CGEDHN C#CC[C@H](NCC[S@](=O)c1ccccc1)c1ccccc1 ZINC000775404412 628092017 /nfs/dbraw/zinc/09/20/17/628092017.db2.gz MPGFYFUCLVOKCO-RXVVDRJESA-N 0 3 297.423 3.148 20 30 CGEDHN C#CC[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000775401289 628092031 /nfs/dbraw/zinc/09/20/31/628092031.db2.gz YYFWZOGURKEJDV-IBGZPJMESA-N 0 3 290.366 3.443 20 30 CGEDHN N#CCC[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000775554339 628106323 /nfs/dbraw/zinc/10/63/23/628106323.db2.gz WZKVJLZETVXHDT-ROUUACIJSA-N 0 3 298.361 3.494 20 30 CGEDHN C#C[C@@H](NCCSc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775791628 628137295 /nfs/dbraw/zinc/13/72/95/628137295.db2.gz NDAGACOKFRPDKB-CABCVRRESA-N 0 3 295.835 3.203 20 30 CGEDHN C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc[nH]1 ZINC000776171391 628175143 /nfs/dbraw/zinc/17/51/43/628175143.db2.gz MXNMEMBWZBOZSG-CHWSQXEVSA-N 0 3 269.348 3.329 20 30 CGEDHN N#Cc1ccc(SCCN2CCCC2)c(Cl)c1 ZINC000776433632 628212189 /nfs/dbraw/zinc/21/21/89/628212189.db2.gz XOKGPWNYRCDPOY-UHFFFAOYSA-N 0 3 266.797 3.400 20 30 CGEDHN Cc1cc2ccccc2nc1N=NC1CN(C2CC2)C[C@H]1C ZINC000776786082 628232334 /nfs/dbraw/zinc/23/23/34/628232334.db2.gz PHTMYNZYFKOXCN-CYBMUJFWSA-N 0 3 294.402 3.425 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC1CCSCC1 ZINC000778167231 628330152 /nfs/dbraw/zinc/33/01/52/628330152.db2.gz CQNXDJIQHLMZNR-UHFFFAOYSA-N 0 3 295.835 3.337 20 30 CGEDHN C=C(Br)CN1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000782502037 628650594 /nfs/dbraw/zinc/65/05/94/628650594.db2.gz DPCBZQQGKRIOLJ-ZMLRMANQSA-N 0 3 258.203 3.406 20 30 CGEDHN C#C[C@H](C)N(C)CCc1cc(Cl)ccc1Cl ZINC000785832912 628890989 /nfs/dbraw/zinc/89/09/89/628890989.db2.gz JWQTUUZEANVJPR-JTQLQIEISA-N 0 3 256.176 3.489 20 30 CGEDHN CSCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000788178886 629040017 /nfs/dbraw/zinc/04/00/17/629040017.db2.gz GEKIDAQYXNDOCO-JTQLQIEISA-N 0 3 288.372 3.393 20 30 CGEDHN C=CCCN(C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789424900 629132633 /nfs/dbraw/zinc/13/26/33/629132633.db2.gz LLZUVLGRAHLKGS-INIZCTEOSA-N 0 3 286.419 3.225 20 30 CGEDHN CC(C)Cc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000791878418 629314519 /nfs/dbraw/zinc/31/45/19/629314519.db2.gz YGTADFZTGDCTOH-OAHLLOKOSA-N 0 3 279.343 3.165 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC000862444494 629378028 /nfs/dbraw/zinc/37/80/28/629378028.db2.gz AWCGAEBMXDLAJY-CYBMUJFWSA-N 0 3 279.330 3.442 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000862446763 629378991 /nfs/dbraw/zinc/37/89/91/629378991.db2.gz DEWISXMNJNPIQI-LBPRGKRZSA-N 0 3 272.373 3.248 20 30 CGEDHN c1ccc2c(c1)cccc2N=NC1CN2C[C@@H]1CCC2 ZINC000863085499 629469101 /nfs/dbraw/zinc/46/91/01/629469101.db2.gz FVSJCLJTWSZEAI-AWEZNQCLSA-N 0 3 265.360 3.333 20 30 CGEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)c1cnc(C)cn1 ZINC000793911764 629507762 /nfs/dbraw/zinc/50/77/62/629507762.db2.gz VDIQFTNARXJONW-DOTOQJQBSA-N 0 3 279.387 3.070 20 30 CGEDHN C=CC[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccncc1 ZINC000794800611 629578514 /nfs/dbraw/zinc/57/85/14/629578514.db2.gz FDHRGGXTZLRYKJ-HOTGVXAUSA-N 0 3 282.391 3.100 20 30 CGEDHN C#CCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000796288638 629761269 /nfs/dbraw/zinc/76/12/69/629761269.db2.gz IACLEBJZNZWVLW-CYBMUJFWSA-N 0 3 269.266 3.259 20 30 CGEDHN CCc1ccc([C@@H](O)CNCc2ccc(C#N)cc2F)cc1 ZINC000796452863 629782479 /nfs/dbraw/zinc/78/24/79/629782479.db2.gz ZPRYMDBMZZJCKG-SFHVURJKSA-N 0 3 298.361 3.083 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@@H]1C ZINC000796527470 629795878 /nfs/dbraw/zinc/79/58/78/629795878.db2.gz ZLHWMTDWHIRZNQ-FZMZJTMJSA-N 0 3 263.768 3.240 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCCN(C(=O)OC)C1)c1ccco1 ZINC000796749045 629825734 /nfs/dbraw/zinc/82/57/34/629825734.db2.gz ZBZWFVATPWYBGA-KGLIPLIRSA-N 0 3 292.379 3.107 20 30 CGEDHN C=CC[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccncc1 ZINC000796771956 629830614 /nfs/dbraw/zinc/83/06/14/629830614.db2.gz MZSLGYFHJGTQIE-CABCVRRESA-N 0 3 268.364 3.089 20 30 CGEDHN CC(C)(C(=O)C(C#N)c1cnc2ccccc2n1)C(F)F ZINC000796899740 629855930 /nfs/dbraw/zinc/85/59/30/629855930.db2.gz KQQMTTQVMIQGCK-SECBINFHSA-N 0 3 289.285 3.097 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)c2sccc2CC#N)c1 ZINC000864845247 629927224 /nfs/dbraw/zinc/92/72/24/629927224.db2.gz ONAFXDOQGZDLDL-UHFFFAOYSA-N 0 3 299.399 3.128 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc(O)c(F)c2)cc1 ZINC000120456400 630038092 /nfs/dbraw/zinc/03/80/92/630038092.db2.gz VPRZGLSIGRSOLR-UHFFFAOYSA-N 0 3 287.334 3.386 20 30 CGEDHN C=CCOc1ccc(C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC000120456400 630038097 /nfs/dbraw/zinc/03/80/97/630038097.db2.gz VPRZGLSIGRSOLR-UHFFFAOYSA-N 0 3 287.334 3.386 20 30 CGEDHN CCCCCCCCN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000800456416 630280987 /nfs/dbraw/zinc/28/09/87/630280987.db2.gz FDMHZBNQRLHSBI-HNNXBMFYSA-N 0 3 289.485 3.246 20 30 CGEDHN CC(CCc1ccc(C(F)(F)F)cc1)=Nn1cnnc1 ZINC000800804208 630300140 /nfs/dbraw/zinc/30/01/40/630300140.db2.gz URSAFLRILZGTCD-UHFFFAOYSA-N 0 3 282.269 3.154 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1Cl ZINC000800895304 630309981 /nfs/dbraw/zinc/30/99/81/630309981.db2.gz AQRAGANOPLOLQH-UHFFFAOYSA-N 0 3 298.773 3.436 20 30 CGEDHN C=CCCC(C)(C)CNCc1ncc(CN(C)C)s1 ZINC000865678757 630348386 /nfs/dbraw/zinc/34/83/86/630348386.db2.gz FMNWEPQUZISXLK-UHFFFAOYSA-N 0 3 281.469 3.287 20 30 CGEDHN C[C@@H](C#N)OCCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000801913596 630365194 /nfs/dbraw/zinc/36/51/94/630365194.db2.gz XZMYNYNWHVPHLZ-JTQLQIEISA-N 0 3 287.190 3.354 20 30 CGEDHN C[C@@H](C#N)OCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000801932616 630369154 /nfs/dbraw/zinc/36/91/54/630369154.db2.gz RSEALOGHNTUWDK-KBXCAEBGSA-N 0 3 298.361 3.433 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCNc1nc(Cl)c(C#N)s1 ZINC000804442440 630527362 /nfs/dbraw/zinc/52/73/62/630527362.db2.gz BZYKZKRBFRJKEY-UWVGGRQHSA-N 0 3 298.843 3.343 20 30 CGEDHN N#CCC1(CN[C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806164422 630551799 /nfs/dbraw/zinc/55/17/99/630551799.db2.gz SPZGYGJUDOYPKG-NSHDSACASA-N 0 3 261.756 3.006 20 30 CGEDHN Cn1c(Cl)nc(Cl)c1CNCC(C)(C)CCC#N ZINC000808429743 630644423 /nfs/dbraw/zinc/64/44/23/630644423.db2.gz OGSPUEGETMJUIJ-UHFFFAOYSA-N 0 3 289.210 3.146 20 30 CGEDHN C#Cc1ccc(CNCc2cccc(OCC)c2)cc1 ZINC000809606152 630760186 /nfs/dbraw/zinc/76/01/86/630760186.db2.gz MUJKTXJMQRDJEJ-UHFFFAOYSA-N 0 3 265.356 3.356 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(OCC(=C)C)c1)C(C)C ZINC000809684877 630780856 /nfs/dbraw/zinc/78/08/56/630780856.db2.gz QXVFGUJWUBIUKY-INIZCTEOSA-N 0 3 287.403 3.398 20 30 CGEDHN C#C[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000809685521 630781096 /nfs/dbraw/zinc/78/10/96/630781096.db2.gz YFYWZPFSUXZWHE-CYBMUJFWSA-N 0 3 251.757 3.101 20 30 CGEDHN C#C[C@@H](NCc1c[nH]nc1-c1cccc(OC)c1)C(C)(C)C ZINC000809781396 630806354 /nfs/dbraw/zinc/80/63/54/630806354.db2.gz PXHLTVKHXVMXCO-MRXNPFEDSA-N 0 3 297.402 3.223 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(Br)nc1 ZINC000810227106 630856854 /nfs/dbraw/zinc/85/68/54/630856854.db2.gz RKALPKIAWXFTFM-LLVKDONJSA-N 0 3 299.212 3.087 20 30 CGEDHN C(=NOCC1CC1)c1ccccc1N1CCCCC1 ZINC000814243436 631557381 /nfs/dbraw/zinc/55/73/81/631557381.db2.gz VZOPSQSQNAUQOR-UHFFFAOYSA-N 0 3 258.365 3.437 20 30 CGEDHN C[C@H](C#N)OCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666464 631619679 /nfs/dbraw/zinc/61/96/79/631619679.db2.gz HCTNBOSZXAUGPQ-OCCSQVGLSA-N 0 3 278.783 3.058 20 30 CGEDHN C#CCN(C)CCCNC(=O)[C@H](CCC)CC1CCCC1 ZINC000818592825 632338983 /nfs/dbraw/zinc/33/89/83/632338983.db2.gz ASLQASNIRPDWSL-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C[C@@H](CC)CC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000822190592 632884973 /nfs/dbraw/zinc/88/49/73/632884973.db2.gz HBWUMKJYMJMLNN-ZDUSSCGKSA-N 0 3 290.407 3.298 20 30 CGEDHN N#CCCN(CC[C@@H]1CC1(Cl)Cl)CC1CC1 ZINC000822663622 633002298 /nfs/dbraw/zinc/00/22/98/633002298.db2.gz GDPXAJMSVTVWLT-LLVKDONJSA-N 0 3 261.196 3.196 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1nn(C)cc1C(F)F ZINC000866563405 633195429 /nfs/dbraw/zinc/19/54/29/633195429.db2.gz LFTHCAQXFLEYLF-NXEZZACHSA-N 0 3 257.328 3.048 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000876593204 634864598 /nfs/dbraw/zinc/86/45/98/634864598.db2.gz XSXWENXZCATOOP-UONOGXRCSA-N 0 3 284.831 3.028 20 30 CGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000826946185 633445272 /nfs/dbraw/zinc/44/52/72/633445272.db2.gz FUROEJYAFMEEGA-CYBMUJFWSA-N 0 3 261.365 3.189 20 30 CGEDHN C=CC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000826946185 633445276 /nfs/dbraw/zinc/44/52/76/633445276.db2.gz FUROEJYAFMEEGA-CYBMUJFWSA-N 0 3 261.365 3.189 20 30 CGEDHN C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@](O)(CC#N)C1 ZINC000829975780 633814280 /nfs/dbraw/zinc/81/42/80/633814280.db2.gz TXWJIBFSHBQPID-BXUZGUMPSA-N 0 3 298.308 3.117 20 30 CGEDHN C#CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000830326329 633849997 /nfs/dbraw/zinc/84/99/97/633849997.db2.gz KOFKNVMOKOXIGD-LBPRGKRZSA-N 0 3 258.321 3.001 20 30 CGEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000872129490 634050106 /nfs/dbraw/zinc/05/01/06/634050106.db2.gz CIRTUQOTTOPFAL-FRRDWIJNSA-N 0 3 273.336 3.328 20 30 CGEDHN C=CC(C)(C)CCCNCc1cnn(C)c1Cl ZINC000873151940 634259827 /nfs/dbraw/zinc/25/98/27/634259827.db2.gz SWGDLBZDYQZNTK-UHFFFAOYSA-N 0 3 255.793 3.156 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC(C)C)c1 ZINC000835063972 634343394 /nfs/dbraw/zinc/34/33/94/634343394.db2.gz SNYCTAMUJISLSA-HNNXBMFYSA-N 0 3 286.375 3.469 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000876630035 634871085 /nfs/dbraw/zinc/87/10/85/634871085.db2.gz YLRVMLIIRYZSIN-HUUCEWRRSA-N 0 3 298.858 3.418 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)cc(OC)c(C)c1C ZINC000876884231 634920485 /nfs/dbraw/zinc/92/04/85/634920485.db2.gz OPDSWYCGHYYRDH-GFCCVEGCSA-N 0 3 296.798 3.029 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000876886425 634921235 /nfs/dbraw/zinc/92/12/35/634921235.db2.gz VPJAZGWYDSZDJB-BXUZGUMPSA-N 0 3 292.810 3.387 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H](C)CC(C)(C)C ZINC000876907965 634926435 /nfs/dbraw/zinc/92/64/35/634926435.db2.gz FUJNYWWUIPPRRM-PWSUYJOCSA-N 0 3 274.836 3.035 20 30 CGEDHN C=CCCC1(CNC(=O)[C@@H](N)CC(=C)Cl)CCCC1 ZINC000876959213 634937259 /nfs/dbraw/zinc/93/72/59/634937259.db2.gz QAILNTOTDFZDAG-ZDUSSCGKSA-N 0 3 284.831 3.099 20 30 CGEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000877088757 634981185 /nfs/dbraw/zinc/98/11/85/634981185.db2.gz INBXOOFTPFJVED-LLVKDONJSA-N 0 3 285.725 3.274 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC2CCC3(CC3)CC2)c1 ZINC000877478530 635052284 /nfs/dbraw/zinc/05/22/84/635052284.db2.gz NNBSJEULWNPVAR-UHFFFAOYSA-N 0 3 275.783 3.419 20 30 CGEDHN C=CCOc1c(Cl)cc(CNC2CSC2)cc1OC ZINC000877633593 635124353 /nfs/dbraw/zinc/12/43/53/635124353.db2.gz CSLBBGOVMDZSGE-UHFFFAOYSA-N 0 3 299.823 3.118 20 30 CGEDHN N#Cc1cnc(Cl)c(CN[C@@]23C[C@@H]2CCCC3)c1 ZINC000877685543 635146360 /nfs/dbraw/zinc/14/63/60/635146360.db2.gz BIOJEKWKOMTJQK-JSGCOSHPSA-N 0 3 261.756 3.029 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1ccc2c(n1)CCC2 ZINC000877705222 635157540 /nfs/dbraw/zinc/15/75/40/635157540.db2.gz XAHDFIRIONIVCH-UHFFFAOYSA-N 0 3 291.398 3.116 20 30 CGEDHN N#Cc1c(F)cccc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877718685 635162418 /nfs/dbraw/zinc/16/24/18/635162418.db2.gz PFJQUGLSICQWGB-BETUJISGSA-N 0 3 256.324 3.095 20 30 CGEDHN C[C@H]1CN(CC(C)(C)CCC#N)CC[C@H](C(F)(F)F)O1 ZINC000877825186 635228783 /nfs/dbraw/zinc/22/87/83/635228783.db2.gz XYAVHQBGEPASEJ-NWDGAFQWSA-N 0 3 292.345 3.358 20 30 CGEDHN C#CCCCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000878269971 635439529 /nfs/dbraw/zinc/43/95/29/635439529.db2.gz RZYRMWZNPNOQNZ-UHFFFAOYSA-N 0 3 267.376 3.156 20 30 CGEDHN N#Cc1cc(CN2CC=CCC2)cc(CN2CC=CCC2)c1 ZINC000878384802 635485179 /nfs/dbraw/zinc/48/51/79/635485179.db2.gz QCEAAIJVBKJVIN-UHFFFAOYSA-N 0 3 293.414 3.082 20 30 CGEDHN N#CCc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000842888210 635504131 /nfs/dbraw/zinc/50/41/31/635504131.db2.gz QBQNJOJAHAMOLU-INIZCTEOSA-N 0 3 278.355 3.235 20 30 CGEDHN C#CC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000843427274 635671002 /nfs/dbraw/zinc/67/10/02/635671002.db2.gz XREVAWPAAKYVEM-UHFFFAOYSA-N 0 3 283.400 3.050 20 30 CGEDHN C#CC1CCN(Cc2ccc(OCCC)c(OC)c2)CC1 ZINC000843428746 635673005 /nfs/dbraw/zinc/67/30/05/635673005.db2.gz NFQGAQFCAJQOGX-UHFFFAOYSA-N 0 3 287.403 3.329 20 30 CGEDHN C#CC1CCN(Cc2ccc(OCC=C)c(OC)c2)CC1 ZINC000843428738 635673430 /nfs/dbraw/zinc/67/34/30/635673430.db2.gz MZLIQYTXLHEAHG-UHFFFAOYSA-N 0 3 285.387 3.105 20 30 CGEDHN CC(C)(NCC#Cc1ccc(F)cc1)[C@@H]1CCCCO1 ZINC000879406838 635779547 /nfs/dbraw/zinc/77/95/47/635779547.db2.gz JQQHJZOMKCDRKG-INIZCTEOSA-N 0 3 275.367 3.115 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844438362 635901260 /nfs/dbraw/zinc/90/12/60/635901260.db2.gz NQRNGNBHJSNLHN-HNNXBMFYSA-N 0 3 292.329 3.058 20 30 CGEDHN CCc1ccc(CN2CCN(CCCCC#N)CC2)cc1 ZINC000880244257 635951818 /nfs/dbraw/zinc/95/18/18/635951818.db2.gz ARCUNDPBIZZUDN-UHFFFAOYSA-N 0 3 285.435 3.060 20 30 CGEDHN CN(C)c1ccc(CN(C)Cc2ccc(C#N)cc2)cc1F ZINC000131173755 636571051 /nfs/dbraw/zinc/57/10/51/636571051.db2.gz BBBDYXQIOCWLGM-UHFFFAOYSA-N 0 3 297.377 3.395 20 30 CGEDHN C=CCC[C@@H](NCc1nc2cc(C)ccc2[nH]1)[C@@H]1CCCO1 ZINC000883194377 636577559 /nfs/dbraw/zinc/57/75/59/636577559.db2.gz UQJCYRQELRDSTJ-WBVHZDCISA-N 0 3 299.418 3.475 20 30 CGEDHN C=CCC[C@@H](NCc1nc2ccc(C)cc2[nH]1)[C@@H]1CCCO1 ZINC000883194377 636577571 /nfs/dbraw/zinc/57/75/71/636577571.db2.gz UQJCYRQELRDSTJ-WBVHZDCISA-N 0 3 299.418 3.475 20 30 CGEDHN C=CCC[C@@H](NCc1c(CC)noc1CC)[C@H]1CCCO1 ZINC000883196781 636578790 /nfs/dbraw/zinc/57/87/90/636578790.db2.gz VZKCZHXJCRPERR-NVXWUHKLSA-N 0 3 292.423 3.403 20 30 CGEDHN C=CCC[C@H](N[C@H](C)c1nccn1CC)[C@H]1CCCO1 ZINC000883227870 636599324 /nfs/dbraw/zinc/59/93/24/636599324.db2.gz ZZUYTWPVTVFVGQ-QLFBSQMISA-N 0 3 277.412 3.067 20 30 CGEDHN N#Cc1sc(N[C@H]2CCCN3CCCC[C@@H]23)nc1Cl ZINC000848785270 636656816 /nfs/dbraw/zinc/65/68/16/636656816.db2.gz KDCXTRFPYJAPJG-UWVGGRQHSA-N 0 3 296.827 3.097 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000848925590 636697243 /nfs/dbraw/zinc/69/72/43/636697243.db2.gz XNODRKGDCIARCW-LJQANCHMSA-N 0 3 299.414 3.232 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](CC)c1ccc(F)cc1F ZINC000883389328 636731872 /nfs/dbraw/zinc/73/18/72/636731872.db2.gz OPOHHRZVXIFFGB-SWLSCSKDSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccccc1Br ZINC000883389445 636732408 /nfs/dbraw/zinc/73/24/08/636732408.db2.gz QQIXDXAHSOVALJ-VXGBXAGGSA-N 0 3 298.224 3.427 20 30 CGEDHN C=C(Br)CN[C@@H]1C[C@H](OC)C1(CC)CC ZINC000132744086 636834333 /nfs/dbraw/zinc/83/43/33/636834333.db2.gz PSMQYVIZWSEALS-MNOVXSKESA-N 0 3 276.218 3.078 20 30 CGEDHN C=CCCN[C@@H](C)c1cc(Br)ncc1F ZINC000850501467 637091962 /nfs/dbraw/zinc/09/19/62/637091962.db2.gz CWJJWZOYNBBFMI-QMMMGPOBSA-N 0 3 273.149 3.210 20 30 CGEDHN CO[C@H]1C[C@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC000850549378 637118159 /nfs/dbraw/zinc/11/81/59/637118159.db2.gz GIXJNDPYCBNMIY-KBPBESRZSA-N 0 3 262.397 3.008 20 30 CGEDHN N#CC(C(=O)CCCF)c1nccc2ccccc21 ZINC000850985671 637211987 /nfs/dbraw/zinc/21/19/87/637211987.db2.gz LCPMUMCXDNKQFK-ZDUSSCGKSA-N 0 3 256.280 3.161 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(OC(F)F)c(OC)c1 ZINC000852098444 637592713 /nfs/dbraw/zinc/59/27/13/637592713.db2.gz NKRYQBSAJLAMJZ-HNNXBMFYSA-N 0 3 283.318 3.188 20 30 CGEDHN C=CCN(C[C@H](O)c1cccc2ccccc21)[C@H](C)COC ZINC000852356301 637642457 /nfs/dbraw/zinc/64/24/57/637642457.db2.gz AIQHEBDJCYDKOK-BEFAXECRSA-N 0 3 299.414 3.396 20 30 CGEDHN C#CCC[N@@H+](CCOC)Cc1c([O-])ccc2ccccc21 ZINC000853619939 637873925 /nfs/dbraw/zinc/87/39/25/637873925.db2.gz NWXLCFDTSNVQBF-UHFFFAOYSA-N 0 3 283.371 3.017 20 30 CGEDHN C#CCC[N@H+](CCOC)Cc1c([O-])ccc2ccccc21 ZINC000853619939 637873927 /nfs/dbraw/zinc/87/39/27/637873927.db2.gz NWXLCFDTSNVQBF-UHFFFAOYSA-N 0 3 283.371 3.017 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@H]2CCOC23CCCCC3)c1 ZINC000925474747 638507503 /nfs/dbraw/zinc/50/75/03/638507503.db2.gz KCCPLXVTLPZIND-INIZCTEOSA-N 0 3 288.366 3.279 20 30 CGEDHN COc1ccc(CN[C@H](C)CC(C)(C)C#N)c(F)c1 ZINC000925516101 638516193 /nfs/dbraw/zinc/51/61/93/638516193.db2.gz HHRBIGLRCLICQA-LLVKDONJSA-N 0 3 264.344 3.252 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000925699474 638571943 /nfs/dbraw/zinc/57/19/43/638571943.db2.gz WKFCFTOWDZCHIB-VQIMIIECSA-N 0 3 296.414 3.254 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](C)c1cn(C(C)C)nn1 ZINC000926484022 638775926 /nfs/dbraw/zinc/77/59/26/638775926.db2.gz XNKNQYQKELCPAY-LBPRGKRZSA-N 0 3 250.390 3.112 20 30 CGEDHN C=C1CCC(C[NH2+][C@H](c2cccs2)c2nnc[n-]2)CC1 ZINC000926925082 638826478 /nfs/dbraw/zinc/82/64/78/638826478.db2.gz HKJIZKRQNSYUHU-CQSZACIVSA-N 0 3 288.420 3.292 20 30 CGEDHN C=C1CCC(CN[C@@H](C)c2cn(C(C)C)nn2)CC1 ZINC000926925857 638826501 /nfs/dbraw/zinc/82/65/01/638826501.db2.gz PDROASGQBVLCDP-ZDUSSCGKSA-N 0 3 262.401 3.256 20 30 CGEDHN CCCN(C[C@H](O)CC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000929332751 638919389 /nfs/dbraw/zinc/91/93/89/638919389.db2.gz JSXSAIBWTQJOPH-DZGCQCFKSA-N 0 3 286.375 3.480 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000930071404 638972322 /nfs/dbraw/zinc/97/23/22/638972322.db2.gz GRMMBNKURNHTJQ-CABCVRRESA-N 0 3 290.794 3.070 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC000930114284 638975372 /nfs/dbraw/zinc/97/53/72/638975372.db2.gz HPBSWBVJLDXWOH-QGZVFWFLSA-N 0 3 289.467 3.123 20 30 CGEDHN C=C[C@H](CC)CC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000930136536 638977117 /nfs/dbraw/zinc/97/71/17/638977117.db2.gz MPNRSVJNGLFUOT-CYBMUJFWSA-N 0 3 290.407 3.298 20 30 CGEDHN COC/C(C)=C/CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157961 638977946 /nfs/dbraw/zinc/97/79/46/638977946.db2.gz JCOFNSMAGQPBML-VIZOYTHASA-N 0 3 282.387 3.240 20 30 CGEDHN COc1ccc([C@H](NCc2cncc(C#N)c2)C2CC2)cc1 ZINC000930238784 638985293 /nfs/dbraw/zinc/98/52/93/638985293.db2.gz HSORGIVFCTZNIH-GOSISDBHSA-N 0 3 293.370 3.203 20 30 CGEDHN C#CCCN[C@H](C)c1cc(F)c(Br)cc1F ZINC000859507421 639152616 /nfs/dbraw/zinc/15/26/16/639152616.db2.gz LDGVEHQVBYIUGC-MRVPVSSYSA-N 0 3 288.135 3.401 20 30 CGEDHN C[C@]1(c2ccccc2)CCCN1Cc1cncc(C#N)c1 ZINC000931695826 639190563 /nfs/dbraw/zinc/19/05/63/639190563.db2.gz VAOLRVNFPJASJS-GOSISDBHSA-N 0 3 277.371 3.464 20 30 CGEDHN C#CCC1(O)CCN(Cc2ccccc2SCC)CC1 ZINC000931700998 639192145 /nfs/dbraw/zinc/19/21/45/639192145.db2.gz UQPNFUOITDPNOV-UHFFFAOYSA-N 0 3 289.444 3.149 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC000932140420 639274236 /nfs/dbraw/zinc/27/42/36/639274236.db2.gz BAKKMGRXLOGPDW-SFHVURJKSA-N 0 3 290.451 3.280 20 30 CGEDHN O=C1C=COC2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC000933645421 639473503 /nfs/dbraw/zinc/47/35/03/639473503.db2.gz PVGICTWGRYXGRL-UHFFFAOYSA-N 0 3 296.370 3.006 20 30 CGEDHN C=CCCCN(CC)CC[S@@](=O)c1ccccc1 ZINC000934647069 639649207 /nfs/dbraw/zinc/64/92/07/639649207.db2.gz YVBWQKBHXOIFCS-GOSISDBHSA-N 0 3 265.422 3.082 20 30 CGEDHN C=C(Br)CNC[C@H]1CCOc2ccccc21 ZINC000159262590 640037942 /nfs/dbraw/zinc/03/79/42/640037942.db2.gz JRVDMVRQXPNETD-LLVKDONJSA-N 0 3 282.181 3.051 20 30 CGEDHN CCCCOCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000194853891 640557231 /nfs/dbraw/zinc/55/72/31/640557231.db2.gz LUSAWECLAXSPRQ-NBVRZTHBSA-N 0 3 292.423 3.474 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015991769 640989853 /nfs/dbraw/zinc/98/98/53/640989853.db2.gz HADWBOMXVYWQCQ-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccccc1 ZINC001018185913 641020355 /nfs/dbraw/zinc/02/03/55/641020355.db2.gz QIHUJSBPHIRMTH-RYQLBKOJSA-N 0 3 298.430 3.041 20 30 CGEDHN CCN1CCN(c2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001250579929 805706400 /nfs/dbraw/zinc/70/64/00/805706400.db2.gz FNPSQYCQQJLIEI-UHFFFAOYSA-N 0 3 291.398 3.367 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001156680118 805726855 /nfs/dbraw/zinc/72/68/55/805726855.db2.gz SVSJPBMAZNZACH-GOSISDBHSA-N 0 3 292.467 3.479 20 30 CGEDHN C=C/C(C)=C/CC(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166679575 807080696 /nfs/dbraw/zinc/08/06/96/807080696.db2.gz YOJAWUKJJWUENE-WLRTZDKTSA-N 0 3 296.842 3.137 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1CCCCCC1 ZINC001157657059 805845896 /nfs/dbraw/zinc/84/58/96/805845896.db2.gz XSZAIDNTQSGOIM-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)cs1 ZINC001157913946 805902178 /nfs/dbraw/zinc/90/21/78/805902178.db2.gz SCYLBKHPGKCFTF-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCCCC ZINC001158818580 806008833 /nfs/dbraw/zinc/00/88/33/806008833.db2.gz JMLKCIIKLYKLFE-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1conc1C ZINC001252131494 806018458 /nfs/dbraw/zinc/01/84/58/806018458.db2.gz OWOMRYUJXHWUGK-OAHLLOKOSA-N 0 3 268.401 3.184 20 30 CGEDHN C=C(CN1CCCCC1)c1nnc(-c2ccc(F)cc2)o1 ZINC001252221136 806030870 /nfs/dbraw/zinc/03/08/70/806030870.db2.gz MNXTYNGMKROBRA-UHFFFAOYSA-N 0 3 287.338 3.375 20 30 CGEDHN C=CCOC[C@@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC001252464795 806049270 /nfs/dbraw/zinc/04/92/70/806049270.db2.gz AFNIJXGTSJTOLB-HOTGVXAUSA-N 0 3 295.810 3.040 20 30 CGEDHN CC(C)(C)CC=Nc1sc2c(c1C#N)CCNC2 ZINC001159160024 806053558 /nfs/dbraw/zinc/05/35/58/806053558.db2.gz VTBFNEYJMBXYFO-FNORWQNLSA-N 0 3 261.394 3.237 20 30 CGEDHN C=C[C@](C)(O)CN(CCC#N)C1CCCCCCC1 ZINC001252549129 806061459 /nfs/dbraw/zinc/06/14/59/806061459.db2.gz BZFDSGPEGDSCHO-INIZCTEOSA-N 0 3 264.413 3.252 20 30 CGEDHN C=CCC[C@@H](O)CNc1ccnc(-c2ccccc2)c1 ZINC001252591154 806078081 /nfs/dbraw/zinc/07/80/81/806078081.db2.gz LBFNKYPQKDKVQB-MRXNPFEDSA-N 0 3 268.360 3.488 20 30 CGEDHN C=CCC[C@@H](O)CNCc1cccc(Cl)c1Cl ZINC001252614226 806089088 /nfs/dbraw/zinc/08/90/88/806089088.db2.gz GRXDOEQWRCBXLG-LLVKDONJSA-N 0 3 274.191 3.410 20 30 CGEDHN C(#Cc1ccccc1)CNc1ncccc1CN1CCCC1 ZINC001159377212 806091452 /nfs/dbraw/zinc/09/14/52/806091452.db2.gz OKTMCRDAKWTHNR-UHFFFAOYSA-N 0 3 291.398 3.141 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ccoc1 ZINC001253248909 806194923 /nfs/dbraw/zinc/19/49/23/806194923.db2.gz CMOMACWZDNIWLO-HNNXBMFYSA-N 0 3 251.370 3.257 20 30 CGEDHN C=CCCCCCC[C@H](O)CN[C@@H](C)c1cncnc1 ZINC001253249592 806195418 /nfs/dbraw/zinc/19/54/18/806195418.db2.gz KQRUXZKRGXPLDM-HOCLYGCPSA-N 0 3 277.412 3.015 20 30 CGEDHN C=C[C@@H](O)CNC(c1cccs1)c1cccs1 ZINC001253611875 806273249 /nfs/dbraw/zinc/27/32/49/806273249.db2.gz UTZWTCZJINDLGJ-SNVBAGLBSA-N 0 3 265.403 3.036 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001160689818 806296809 /nfs/dbraw/zinc/29/68/09/806296809.db2.gz SOORHTFETZNMTR-IRXDYDNUSA-N 0 3 286.419 3.294 20 30 CGEDHN CCCCN(CC#N)C(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001160730290 806299704 /nfs/dbraw/zinc/29/97/04/806299704.db2.gz OWGOMMADMNSIGD-IRXDYDNUSA-N 0 3 299.418 3.022 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cnc(-c2ccccc2)cn1 ZINC001160957393 806328013 /nfs/dbraw/zinc/32/80/13/806328013.db2.gz KVNOWWJHXOMTLZ-INIZCTEOSA-N 0 3 294.402 3.206 20 30 CGEDHN N#Cc1ccc2c(c1)CCN(C1CCC(F)(F)CC1)C2 ZINC001254218354 806368872 /nfs/dbraw/zinc/36/88/72/806368872.db2.gz FJTOTUKYZDPRFS-UHFFFAOYSA-N 0 3 276.330 3.494 20 30 CGEDHN CN(C)/C=N/c1ccc(NCCC(F)(F)F)cc1C#N ZINC001161825374 806465325 /nfs/dbraw/zinc/46/53/25/806465325.db2.gz HGCOBUZXKMPDGI-DJKKODMXSA-N 0 3 284.285 3.144 20 30 CGEDHN COc1c(F)cccc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC001254654608 806475399 /nfs/dbraw/zinc/47/53/99/806475399.db2.gz WJODINXPQBOREX-QJPTWQEYSA-N 0 3 262.328 3.177 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCSc3ccccc3C2)C1 ZINC001254674412 806483022 /nfs/dbraw/zinc/48/30/22/806483022.db2.gz YTOURUFFIYHUAV-JSGCOSHPSA-N 0 3 258.390 3.287 20 30 CGEDHN CCN1CC=C(c2cnc(NC3(C#N)CCC3)c(C)c2)CC1 ZINC001162310431 806552231 /nfs/dbraw/zinc/55/22/31/806552231.db2.gz JPIKRQOBBGPLIW-UHFFFAOYSA-N 0 3 296.418 3.357 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001255152519 806554653 /nfs/dbraw/zinc/55/46/53/806554653.db2.gz VXUZWVLUKQYUKX-IHRRRGAJSA-N 0 3 295.427 3.104 20 30 CGEDHN N#Cc1cc(F)cc(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000163626166 799083009 /nfs/dbraw/zinc/08/30/09/799083009.db2.gz JVPZQTUAGLUWJV-HOCLYGCPSA-N 0 3 258.340 3.462 20 30 CGEDHN C#Cc1cccc(NC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000176409069 799097067 /nfs/dbraw/zinc/09/70/67/799097067.db2.gz KOHKBWIPHXNXRG-UHFFFAOYSA-N 0 3 299.418 3.006 20 30 CGEDHN N#Cc1ccc(F)c(N[C@@H]2CNCc3ccsc32)c1 ZINC001163227191 806728068 /nfs/dbraw/zinc/72/80/68/806728068.db2.gz RMAQUZJIEIACAZ-CYBMUJFWSA-N 0 3 273.336 3.015 20 30 CGEDHN C#CCCCCNCc1ccnc(Cl)c1Cl ZINC000381616725 799383442 /nfs/dbraw/zinc/38/34/42/799383442.db2.gz VRZLOPJCLMKAER-UHFFFAOYSA-N 0 3 257.164 3.282 20 30 CGEDHN CS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000708302697 799984927 /nfs/dbraw/zinc/98/49/27/799984927.db2.gz OSJYMCOADMPQPH-UONOGXRCSA-N 0 3 278.396 3.413 20 30 CGEDHN C=C(C)CCNCc1nc(C)c(Br)s1 ZINC000719257382 800234628 /nfs/dbraw/zinc/23/46/28/800234628.db2.gz BTQBZBIMIDZXKH-UHFFFAOYSA-N 0 3 275.215 3.270 20 30 CGEDHN CSCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000719300174 800235124 /nfs/dbraw/zinc/23/51/24/800235124.db2.gz DPGGWTDWHYAYDS-UHFFFAOYSA-N 0 3 290.432 3.012 20 30 CGEDHN C[C@@H]1Cc2cc(CN3CCC[C@@H](CC#N)C3)ccc2O1 ZINC000720829711 800267973 /nfs/dbraw/zinc/26/79/73/800267973.db2.gz QXUUXHFVKRJOAK-KGLIPLIRSA-N 0 3 270.376 3.136 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000809546952 800444713 /nfs/dbraw/zinc/44/47/13/800444713.db2.gz GHHANNDKHCCPRS-GOSISDBHSA-N 0 3 262.356 3.400 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000894216477 800577061 /nfs/dbraw/zinc/57/70/61/800577061.db2.gz CSPHKYDATSNOJU-IUODEOHRSA-N 0 3 281.783 3.116 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001023145338 800705616 /nfs/dbraw/zinc/70/56/16/800705616.db2.gz RLSMJZLERNPQHH-MJBXVCDLSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001023140928 800705684 /nfs/dbraw/zinc/70/56/84/800705684.db2.gz PDGVADGYKQSNNS-OKILXGFUSA-N 0 3 298.858 3.192 20 30 CGEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917662 800826938 /nfs/dbraw/zinc/82/69/38/800826938.db2.gz CYWKKKAVIVHGIY-MRXNPFEDSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001028272746 800837525 /nfs/dbraw/zinc/83/75/25/800837525.db2.gz ITUAQIHUAFMMNW-AWEZNQCLSA-N 0 3 294.345 3.004 20 30 CGEDHN C=C1CCC(C(=O)N(C)[C@@H]2CCN(CC=C(C)C)C2)CC1 ZINC001033389764 800962425 /nfs/dbraw/zinc/96/24/25/800962425.db2.gz VCUKIDJTOFTYMG-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033698488 800975202 /nfs/dbraw/zinc/97/52/02/800975202.db2.gz SKLHQWSLRXYWAF-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001034177597 801008601 /nfs/dbraw/zinc/00/86/01/801008601.db2.gz JGHQUBIXAMDKLO-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001034445472 801026984 /nfs/dbraw/zinc/02/69/84/801026984.db2.gz TYFSQXOGJOIYDW-HNNXBMFYSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034481671 801028982 /nfs/dbraw/zinc/02/89/82/801028982.db2.gz WEBJSLNJICYCDG-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001034505314 801030723 /nfs/dbraw/zinc/03/07/23/801030723.db2.gz DUFVATLZLXQRBK-OAHLLOKOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034543885 801032641 /nfs/dbraw/zinc/03/26/41/801032641.db2.gz BRWWJFDSWKXJAR-GPANFISMSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001039326486 801158207 /nfs/dbraw/zinc/15/82/07/801158207.db2.gz APUADAICYBRCMJ-SJORKVTESA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cc(Cl)cs2)CC1 ZINC001045580183 801280017 /nfs/dbraw/zinc/28/00/17/801280017.db2.gz SKLDPHRCDUZRGO-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2csc(Cl)c2)CC1 ZINC001045578527 801280894 /nfs/dbraw/zinc/28/08/94/801280894.db2.gz LIPWYHDBUCUQAJ-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001046860975 801331376 /nfs/dbraw/zinc/33/13/76/801331376.db2.gz RABGJSXEBVFFKX-YJBOKZPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CCC1 ZINC001049619922 801378312 /nfs/dbraw/zinc/37/83/12/801378312.db2.gz XTZJELHKBYSARL-HZPDHXFCSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001050195260 801399859 /nfs/dbraw/zinc/39/98/59/801399859.db2.gz OUFODNLFAIHEIH-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071322135 801528695 /nfs/dbraw/zinc/52/86/95/801528695.db2.gz TZPDZFHCLZAKIH-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071488128 801541156 /nfs/dbraw/zinc/54/11/56/801541156.db2.gz PUPQSUUOIKTHHQ-CJNGLKHVSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001079808889 801646597 /nfs/dbraw/zinc/64/65/97/801646597.db2.gz HDVOCSOUXDEPDO-RDTXWAMCSA-N 0 3 298.430 3.190 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1occc1Cl ZINC001085802333 801704585 /nfs/dbraw/zinc/70/45/85/801704585.db2.gz QZURPPFSDIHMTF-LBPRGKRZSA-N 0 3 296.798 3.046 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854183 801709539 /nfs/dbraw/zinc/70/95/39/801709539.db2.gz SBISIKLNLLXCTG-LBPRGKRZSA-N 0 3 298.839 3.124 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085938507 801711873 /nfs/dbraw/zinc/71/18/73/801711873.db2.gz IVYYMSFMKVMQKJ-ZDUSSCGKSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]2CC)C1 ZINC001086189236 801722716 /nfs/dbraw/zinc/72/27/16/801722716.db2.gz PQHUYNPCPVWLAY-APIJFGDWSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2(C)CCC2)C1 ZINC001088362448 801786876 /nfs/dbraw/zinc/78/68/76/801786876.db2.gz RZTIFGROTVBWGK-CQSZACIVSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1C ZINC001088657006 801805423 /nfs/dbraw/zinc/80/54/23/801805423.db2.gz NTOLGXCAGWILBB-ZACQAIPSSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCCC1)C2 ZINC001096765676 801895660 /nfs/dbraw/zinc/89/56/60/801895660.db2.gz HWBOERJSJYBRCW-ZACQAIPSSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC)C2 ZINC001097735971 801903849 /nfs/dbraw/zinc/90/38/49/801903849.db2.gz SDVFCFDAVMXBIQ-NXHRZFHOSA-N 0 3 298.430 3.160 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001098247381 801907552 /nfs/dbraw/zinc/90/75/52/801907552.db2.gz YRHLIDBTLJPNKN-HHARLNAUSA-N 0 3 290.451 3.110 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001099137627 801930372 /nfs/dbraw/zinc/93/03/72/801930372.db2.gz VHBHGYAOBVQAHF-HKUYNNGSSA-N 0 3 298.430 3.074 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)cc2C)C1 ZINC001099144010 801931066 /nfs/dbraw/zinc/93/10/66/801931066.db2.gz FGMSXJFIXWDARS-LPHOPBHVSA-N 0 3 298.430 3.074 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC=C ZINC001099250980 801933579 /nfs/dbraw/zinc/93/35/79/801933579.db2.gz DXGYYDHZGPEZIE-OAHLLOKOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099257329 801935056 /nfs/dbraw/zinc/93/50/56/801935056.db2.gz DITFGWOTHSHZCJ-HOTGVXAUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CCCC)CC2)C1 ZINC001100642512 801957474 /nfs/dbraw/zinc/95/74/74/801957474.db2.gz APOFVFWICOIJJY-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C)CCCC1)C2 ZINC001109231771 802112407 /nfs/dbraw/zinc/11/24/07/802112407.db2.gz XLMYAEWXYQVJFL-PMPSAXMXSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001109769569 802125396 /nfs/dbraw/zinc/12/53/96/802125396.db2.gz JXKLNJHOJYQMKB-KBXIAJHMSA-N 0 3 296.430 3.058 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001109874581 802127411 /nfs/dbraw/zinc/12/74/11/802127411.db2.gz KNOJRQCDPTVWEH-FZKCQIBNSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccs1)C2 ZINC001110249632 802135054 /nfs/dbraw/zinc/13/50/54/802135054.db2.gz BDHKKSGGYXLVEO-MCIONIFRSA-N 0 3 290.432 3.049 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC(C)(C)C=C)CC1 ZINC001112894633 802195399 /nfs/dbraw/zinc/19/53/99/802195399.db2.gz HYYCMYFCMKRSKE-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001112898432 802195857 /nfs/dbraw/zinc/19/58/57/802195857.db2.gz QKTRHLHABUVEEL-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113243615 802209066 /nfs/dbraw/zinc/20/90/66/802209066.db2.gz LLSNMBSUVOGCIW-IAGOWNOFSA-N 0 3 294.483 3.415 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CCc2ccc(Cl)cc21 ZINC001116643454 802391245 /nfs/dbraw/zinc/39/12/45/802391245.db2.gz PAVUMXZRLDFLEI-OCCSQVGLSA-N 0 3 251.757 3.118 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OCCC)cc1 ZINC001116643533 802392014 /nfs/dbraw/zinc/39/20/14/802392014.db2.gz QWHGHVWQDKWWME-ZFWWWQNUSA-N 0 3 263.381 3.327 20 30 CGEDHN C[C@H](N)c1nc2ccccc2n1[C@@H](C)CCCC#N ZINC001172476292 808341813 /nfs/dbraw/zinc/34/18/13/808341813.db2.gz JOTBYIUNMHIZRN-RYUDHWBXSA-N 0 3 256.353 3.311 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCCCC)C2 ZINC001120636674 802756184 /nfs/dbraw/zinc/75/61/84/802756184.db2.gz ZSVWMOPAOMEYHL-UHFFFAOYSA-N 0 3 298.858 3.336 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC001123232639 802919692 /nfs/dbraw/zinc/91/96/92/802919692.db2.gz BHDOQGKMASNZLP-CYBMUJFWSA-N 0 3 271.364 3.050 20 30 CGEDHN C=CCCC(=O)NCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001124655397 803033178 /nfs/dbraw/zinc/03/31/78/803033178.db2.gz CHDUXEBNKBDSDI-LLVKDONJSA-N 0 3 298.789 3.212 20 30 CGEDHN C[Si](C)(C)C#Cc1ccc(C2=CNCCC2)cn1 ZINC001243951647 803097823 /nfs/dbraw/zinc/09/78/23/803097823.db2.gz KOWJUGXTMKEFQQ-UHFFFAOYSA-N 0 3 256.425 3.035 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@@H]1C ZINC001131900344 803356455 /nfs/dbraw/zinc/35/64/55/803356455.db2.gz XCYCLHZJTOIRKQ-GJZGRUSLSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)CC)CC[C@H]1C ZINC001132054913 803370462 /nfs/dbraw/zinc/37/04/62/803370462.db2.gz UWWYPKYHTWFKEA-CABCVRRESA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(C)C)CC[C@@H]1C ZINC001132319055 803395375 /nfs/dbraw/zinc/39/53/75/803395375.db2.gz UBTFZBGFJJZMLY-JKSUJKDBSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132413711 803402453 /nfs/dbraw/zinc/40/24/53/803402453.db2.gz GDIXTTQWNLLROW-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(CC)CC)CC[C@@H]1C ZINC001132494583 803409260 /nfs/dbraw/zinc/40/92/60/803409260.db2.gz UPGKDICTGOFPAC-LSDHHAIUSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCCCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001133154296 803457574 /nfs/dbraw/zinc/45/75/74/803457574.db2.gz FOJJRFZVMPRXKL-UHFFFAOYSA-N 0 3 298.789 3.041 20 30 CGEDHN C=CC1(CC(=O)NC[C@H]2CCCCN2C)CCCCC1 ZINC001134767710 803555773 /nfs/dbraw/zinc/55/57/73/803555773.db2.gz DEMLSAMQQHHLAE-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)CCC1(F)F ZINC001137115534 803685115 /nfs/dbraw/zinc/68/51/15/803685115.db2.gz TWYQJBIRILXVGO-UHFFFAOYSA-N 0 3 294.345 3.456 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2cnc3ccccc3c2)CC1 ZINC001137282602 803708319 /nfs/dbraw/zinc/70/83/19/803708319.db2.gz DWWVDDGQRYMZJL-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(Cl)cc3F)CCC2S1 ZINC001137657787 803753460 /nfs/dbraw/zinc/75/34/60/803753460.db2.gz OSKAKPLDLFCUJO-CYBMUJFWSA-N 0 3 297.782 3.253 20 30 CGEDHN SC1CCN(Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138177089 803872940 /nfs/dbraw/zinc/87/29/40/803872940.db2.gz FVEZFHDGGJLCLM-UHFFFAOYSA-N 0 3 280.437 3.164 20 30 CGEDHN COCCN(C)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138333801 803896962 /nfs/dbraw/zinc/89/69/62/803896962.db2.gz QXNVPOFDHLXMAW-UHFFFAOYSA-N 0 3 279.383 3.165 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1[O-] ZINC001138626865 803983713 /nfs/dbraw/zinc/98/37/13/803983713.db2.gz RAEVQROAUUVCFJ-RRQGHBQHSA-N 0 3 287.403 3.120 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1[O-] ZINC001138626865 803983717 /nfs/dbraw/zinc/98/37/17/803983717.db2.gz RAEVQROAUUVCFJ-RRQGHBQHSA-N 0 3 287.403 3.120 20 30 CGEDHN C=C(C)COc1ccccc1CN1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001138667426 803998562 /nfs/dbraw/zinc/99/85/62/803998562.db2.gz XCKLTLABFMEVHL-NVXWUHKLSA-N 0 3 299.414 3.443 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](OC(C)C)C1 ZINC001139030490 804114849 /nfs/dbraw/zinc/11/48/49/804114849.db2.gz OGVLPNSAXDCRJX-INIZCTEOSA-N 0 3 275.392 3.251 20 30 CGEDHN CCCCCN1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC001139651104 804244331 /nfs/dbraw/zinc/24/43/31/804244331.db2.gz BVBANYJYIPYMCL-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN CCCCCCC[C@H](CC(C)C)N[C@@H]1CNCCC1=O ZINC001246287121 804259774 /nfs/dbraw/zinc/25/97/74/804259774.db2.gz FJKSTDACVOTUKG-HZPDHXFCSA-N 0 3 282.472 3.282 20 30 CGEDHN CCCCCCCCC[C@@H](C)N[C@H]1CNCCC1=O ZINC001246293052 804263037 /nfs/dbraw/zinc/26/30/37/804263037.db2.gz OVIQEKSPANTFOA-CABCVRRESA-N 0 3 268.445 3.036 20 30 CGEDHN CCCCCCCCN(C)Cc1ccnc(NC)n1 ZINC001140042902 804358998 /nfs/dbraw/zinc/35/89/98/804358998.db2.gz JZJSWGLSLNYNKW-UHFFFAOYSA-N 0 3 264.417 3.311 20 30 CGEDHN CN(Cc1c[nH]c2ccc(C#N)cc12)Cc1cccc(O)c1 ZINC001140111042 804380665 /nfs/dbraw/zinc/38/06/65/804380665.db2.gz XNDLXOLLKQLCIH-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN C[C@]1(CO)CCCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001140808510 804525819 /nfs/dbraw/zinc/52/58/19/804525819.db2.gz UGYDCHFUSFHRHD-INIZCTEOSA-N 0 3 292.810 3.196 20 30 CGEDHN C=CCCCCN(C)Cc1c[nH]nc1C(F)(F)F ZINC001141016888 804571012 /nfs/dbraw/zinc/57/10/12/804571012.db2.gz RDSFTQAGIOHJIU-UHFFFAOYSA-N 0 3 261.291 3.217 20 30 CGEDHN N#CCC1CCN(Cc2ccc3cccc(O)c3n2)CC1 ZINC001141022906 804573446 /nfs/dbraw/zinc/57/34/46/804573446.db2.gz BLRCJQHKWRBOAQ-UHFFFAOYSA-N 0 3 281.359 3.066 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)CCC(C)(C)C)C2)C1 ZINC001148620623 805200502 /nfs/dbraw/zinc/20/05/02/805200502.db2.gz UMTVSMDCCZIDJB-HNNXBMFYSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CCCCCCCC)C2)C1 ZINC001148666265 805203733 /nfs/dbraw/zinc/20/37/33/805203733.db2.gz NPNJQSQEVGTHBF-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN CC#CCNCCNC(=O)[C@@](C)(CC)CCCCCC ZINC001151683187 805307222 /nfs/dbraw/zinc/30/72/22/805307222.db2.gz CGTOUVNKGUJHPT-KRWDZBQOSA-N 0 3 280.456 3.102 20 30 CGEDHN C=CCC1(C(=O)NCCNCc2ccsc2)CCCC1 ZINC001153814270 805415970 /nfs/dbraw/zinc/41/59/70/805415970.db2.gz YHVYEQJZYYRDSS-UHFFFAOYSA-N 0 3 292.448 3.090 20 30 CGEDHN N#CC1CCC(N[C@H](c2ccccc2)c2cccnn2)CC1 ZINC001256963818 807017296 /nfs/dbraw/zinc/01/72/96/807017296.db2.gz PXNBRZQQOIVFKW-JFUPDXTOSA-N 0 3 292.386 3.238 20 30 CGEDHN Cn1ccnc1CNC1CCC(c2ccc(C#N)cc2)CC1 ZINC001257009029 807026235 /nfs/dbraw/zinc/02/62/35/807026235.db2.gz SMYZLUXHWSRAOF-UHFFFAOYSA-N 0 3 294.402 3.108 20 30 CGEDHN C=C1C[C@@H]2CC(N(CC)[C@@H](C)C(=O)OC)C[C@H](C1)C2 ZINC001257893868 807243873 /nfs/dbraw/zinc/24/38/73/807243873.db2.gz BJBBMNXUTWVABO-RDGKXADDSA-N 0 3 265.397 3.005 20 30 CGEDHN CCCCCCC[C@H](C)N[C@H](CO)c1ccccn1 ZINC001258040698 807271676 /nfs/dbraw/zinc/27/16/76/807271676.db2.gz GWEVQCAXBYISCX-GOEBONIOSA-N 0 3 264.413 3.454 20 30 CGEDHN CCOC(=O)C1(C#N)CCN([C@@H](C)CCC=C(C)C)CC1 ZINC001258095721 807305196 /nfs/dbraw/zinc/30/51/96/807305196.db2.gz JNNMOTUCJZDSPQ-HNNXBMFYSA-N 0 3 292.423 3.290 20 30 CGEDHN N#CCCCCNc1nc2cccc(Br)c2[nH]1 ZINC001168430346 807412712 /nfs/dbraw/zinc/41/27/12/807412712.db2.gz ARDNCAMNBCXVGH-UHFFFAOYSA-N 0 3 293.168 3.431 20 30 CGEDHN C=CCC[C@@H](C)n1nc(CN)c2cc(OC)ccc21 ZINC001258723643 807572634 /nfs/dbraw/zinc/57/26/34/807572634.db2.gz BFNQMXDFLZZWRX-LLVKDONJSA-N 0 3 259.353 3.031 20 30 CGEDHN C[C@@H](N)c1ccn(-c2ccc(-c3ccc(C#N)o3)cc2)n1 ZINC001169232329 807609349 /nfs/dbraw/zinc/60/93/49/807609349.db2.gz DHONSBJYVYKDQQ-LLVKDONJSA-N 0 3 278.315 3.024 20 30 CGEDHN C[C@@H](N)c1ccn(-c2cc(CC#N)cc3ccccc32)n1 ZINC001169238353 807613269 /nfs/dbraw/zinc/61/32/69/807613269.db2.gz WCFSJUHNYWDNQE-GFCCVEGCSA-N 0 3 276.343 3.111 20 30 CGEDHN CN(CCCC(F)(F)F)Cc1cc(C#N)cs1 ZINC001262367734 807858644 /nfs/dbraw/zinc/85/86/44/807858644.db2.gz FACLMNDLNDGQBN-UHFFFAOYSA-N 0 3 262.300 3.394 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(COC(C)C)c1 ZINC001263078888 807930583 /nfs/dbraw/zinc/93/05/83/807930583.db2.gz XHYZQKBLOMTUIE-MRXNPFEDSA-N 0 3 290.407 3.234 20 30 CGEDHN CC[C@@H](F)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC001263314030 807947001 /nfs/dbraw/zinc/94/70/01/807947001.db2.gz COMRTNXIPBUTQU-DTWKUNHWSA-N 0 3 295.264 3.356 20 30 CGEDHN C[C@H]1CCCCN1c1cccc(NCCCS)n1 ZINC001171001156 807956657 /nfs/dbraw/zinc/95/66/57/807956657.db2.gz RRKMTOPNHFUXHF-LBPRGKRZSA-N 0 3 265.426 3.192 20 30 CGEDHN CC(C)c1cc(CN[C@H](C)Cc2cccc(C#N)c2)on1 ZINC001171185306 808003032 /nfs/dbraw/zinc/00/30/32/808003032.db2.gz QJIKWQKMRXTNEF-CYBMUJFWSA-N 0 3 283.375 3.390 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@](C)(F)CCCC ZINC001263801724 808006620 /nfs/dbraw/zinc/00/66/20/808006620.db2.gz BSGLRHAJBSEARU-NVXWUHKLSA-N 0 3 298.446 3.404 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)Nc1cncn1C ZINC001171371869 808038218 /nfs/dbraw/zinc/03/82/18/808038218.db2.gz BPYFJDQBJTYYHC-GFCCVEGCSA-N 0 3 257.337 3.158 20 30 CGEDHN C#C[C@H]1CCCN([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171544478 808089375 /nfs/dbraw/zinc/08/93/75/808089375.db2.gz VFPGLPILVNEPMC-WCQYABFASA-N 0 3 293.332 3.306 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)c1ccccc1 ZINC001264837567 808097729 /nfs/dbraw/zinc/09/77/29/808097729.db2.gz JGLXUGXBOUAEJZ-OAHLLOKOSA-N 0 3 274.408 3.184 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCOc1ccccc1 ZINC001172298612 808219436 /nfs/dbraw/zinc/21/94/36/808219436.db2.gz ZCWDKWKNJUGBTF-AWEZNQCLSA-N 0 3 266.344 3.115 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccoc1C1CC1 ZINC001266170517 808222547 /nfs/dbraw/zinc/22/25/47/808222547.db2.gz VTQTVXNCOCCUMN-LLVKDONJSA-N 0 3 296.798 3.008 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(CF)cc1 ZINC001266191812 808225706 /nfs/dbraw/zinc/22/57/06/808225706.db2.gz KMOWFFXOVQYVRM-LBPRGKRZSA-N 0 3 298.789 3.007 20 30 CGEDHN C=CCN(C)CCNC(=O)c1csc2cc(C)ccc21 ZINC001266278697 808237067 /nfs/dbraw/zinc/23/70/67/808237067.db2.gz OSGRWVWXCWQSDC-UHFFFAOYSA-N 0 3 288.416 3.057 20 30 CGEDHN CCCCCCC[C@H](CC)n1cc(CN)c(C)nc1=N ZINC001172359480 808254139 /nfs/dbraw/zinc/25/41/39/808254139.db2.gz WTYPHDPJFUXHIN-HNNXBMFYSA-N 0 3 278.444 3.441 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(CC(C)C)CCC1 ZINC001266471385 808272815 /nfs/dbraw/zinc/27/28/15/808272815.db2.gz NUJXHEUFABYIAG-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001266723519 808309224 /nfs/dbraw/zinc/30/92/24/808309224.db2.gz JDOVIPPEYCHOCB-BNOWGMLFSA-N 0 3 286.847 3.048 20 30 CGEDHN CCCCCCC[C@@H](CCC)N1CCO[C@H](CO)C1 ZINC001172507862 808364324 /nfs/dbraw/zinc/36/43/24/808364324.db2.gz BZZJMHHPEHSJQS-CVEARBPZSA-N 0 3 271.445 3.209 20 30 CGEDHN CCCCCCC[C@@H](CCC)N1CCN(C(N)=O)CC1 ZINC001172511425 808365946 /nfs/dbraw/zinc/36/59/46/808365946.db2.gz QQTRXLLELWGMSU-OAHLLOKOSA-N 0 3 283.460 3.212 20 30 CGEDHN C=C(C)CN(CCNC(=O)C1(C2CCC2)CCC1)C1CC1 ZINC001267330595 808415124 /nfs/dbraw/zinc/41/51/24/808415124.db2.gz FJKIKPHTUXLPOE-UHFFFAOYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN[C@@H](CNC(=O)CC)c1ccc(C(C)C)cc1 ZINC001267341508 808418658 /nfs/dbraw/zinc/41/86/58/808418658.db2.gz YGJUTRNCAUCTRX-INIZCTEOSA-N 0 3 274.408 3.153 20 30 CGEDHN C=CCN[C@H](CNC(=O)CC)c1ccc(C(C)C)cc1 ZINC001267341510 808419310 /nfs/dbraw/zinc/41/93/10/808419310.db2.gz YGJUTRNCAUCTRX-MRXNPFEDSA-N 0 3 274.408 3.153 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C[C@@H]1C=CCCC1)c1ccccc1 ZINC001267362742 808421219 /nfs/dbraw/zinc/42/12/19/808421219.db2.gz VMGPKLSITJNDQX-AEFFLSMTSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CCC)[C@H]1CCN(CC(=C)C)C1 ZINC001267542450 808443286 /nfs/dbraw/zinc/44/32/86/808443286.db2.gz WYXLKKBIVZXPCP-INIZCTEOSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H](CC)c1ccccc1 ZINC001267704273 808474516 /nfs/dbraw/zinc/47/45/16/808474516.db2.gz LCVPNYKQTGDQHK-OKZBNKHCSA-N 0 3 298.430 3.389 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/CC ZINC001267704027 808475293 /nfs/dbraw/zinc/47/52/93/808475293.db2.gz CNUDFONJFBFHRQ-DAPLNWGVSA-N 0 3 290.451 3.374 20 30 CGEDHN N#CCC1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173336772 808617128 /nfs/dbraw/zinc/61/71/28/808617128.db2.gz LEGLHRBFDRHLML-UHFFFAOYSA-N 0 3 270.376 3.223 20 30 CGEDHN N#CCC1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173336772 808617132 /nfs/dbraw/zinc/61/71/32/808617132.db2.gz LEGLHRBFDRHLML-UHFFFAOYSA-N 0 3 270.376 3.223 20 30 CGEDHN N#CCC1CCC(N2CCC[C@H]2c2ncccn2)CC1 ZINC001173338276 808618390 /nfs/dbraw/zinc/61/83/90/808618390.db2.gz GYAGUWBPNQIPJU-NRXISQOPSA-N 0 3 270.380 3.086 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001268898931 808635539 /nfs/dbraw/zinc/63/55/39/808635539.db2.gz OBLHEAXCKFPIIJ-LSDHHAIUSA-N 0 3 298.858 3.003 20 30 CGEDHN CC1(C#N)CCC(Nc2cccc(F)c2CN)CC1 ZINC001173584785 808646365 /nfs/dbraw/zinc/64/63/65/808646365.db2.gz LXXYHERMSMUJQW-UHFFFAOYSA-N 0 3 261.344 3.169 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001269215759 808655832 /nfs/dbraw/zinc/65/58/32/808655832.db2.gz QZWJEWMBZIYBEX-DZGCQCFKSA-N 0 3 290.407 3.055 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](CC)CCCCC)C1 ZINC001269296800 808665995 /nfs/dbraw/zinc/66/59/95/808665995.db2.gz RKWNCWWAOJEVAT-DLBZAZTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1ccccc1Cl ZINC001270915274 808753267 /nfs/dbraw/zinc/75/32/67/808753267.db2.gz VVAXGDAJPPRLTC-ZDUSSCGKSA-N 0 3 294.826 3.243 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001272513172 808814648 /nfs/dbraw/zinc/81/46/48/808814648.db2.gz OMHRAOFRRRIAJU-CQSZACIVSA-N 0 3 298.858 3.147 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(CCCC)CC1 ZINC001275143774 808915202 /nfs/dbraw/zinc/91/52/02/808915202.db2.gz QBKHVPXOAXKCAE-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](CCC)C(C)C ZINC001275150653 808918047 /nfs/dbraw/zinc/91/80/47/808918047.db2.gz KYXHGNKBGQQEIM-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)CC1=CCCCC1 ZINC001275914724 808975071 /nfs/dbraw/zinc/97/50/71/808975071.db2.gz BIXPHPZZFDKUPN-UHFFFAOYSA-N 0 3 284.831 3.068 20 30 CGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001276311300 809001729 /nfs/dbraw/zinc/00/17/29/809001729.db2.gz LZSPRLSGRHPMPJ-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCC1CCCC1 ZINC001276780962 809031497 /nfs/dbraw/zinc/03/14/97/809031497.db2.gz BHDITRXZWOQNEX-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C(CCC)CCC)[C@H]1C ZINC001278520809 809138553 /nfs/dbraw/zinc/13/85/53/809138553.db2.gz ISWXWMDZHWEWGA-NVXWUHKLSA-N 0 3 292.467 3.195 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C/C=C(/C)C=C)cc1 ZINC001280354339 809186640 /nfs/dbraw/zinc/18/66/40/809186640.db2.gz NOIKQRULYFWPPN-NXADEVLQSA-N 0 3 296.414 3.109 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001280872546 809203579 /nfs/dbraw/zinc/20/35/79/809203579.db2.gz GMZLSWUFIACETI-INIZCTEOSA-N 0 3 294.483 3.252 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C=C)CC ZINC001281906398 809222420 /nfs/dbraw/zinc/22/24/20/809222420.db2.gz WGIVKXKHVGSXTL-POZUXBRTSA-N 0 3 298.430 3.147 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(OC)ccc2Cl)C1 ZINC001176070787 809614218 /nfs/dbraw/zinc/61/42/18/809614218.db2.gz QAOLRGHYQGWLND-GFCCVEGCSA-N 0 3 263.768 3.194 20 30 CGEDHN C#CCN(Cc1cc(C)nc2c1CCCC2)CC1CC1 ZINC001180116922 809975201 /nfs/dbraw/zinc/97/52/01/809975201.db2.gz OTQYKDVLUSSRBY-UHFFFAOYSA-N 0 3 268.404 3.114 20 30 CGEDHN COc1ccc(SCCN2CCC[C@H](CC#N)C2)cc1 ZINC001182856132 810127489 /nfs/dbraw/zinc/12/74/89/810127489.db2.gz SVIWLFLJRFPPBZ-CQSZACIVSA-N 0 3 290.432 3.413 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001185070938 810232808 /nfs/dbraw/zinc/23/28/08/810232808.db2.gz LLQJQUULDQEBNS-DZGCQCFKSA-N 0 3 292.448 3.041 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H](C)CCCCCC)C1 ZINC001187027879 810379777 /nfs/dbraw/zinc/37/97/77/810379777.db2.gz PNXXZGQLOURDBJ-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CN(CC=C(C)C)C[C@H]21 ZINC001188885575 810521314 /nfs/dbraw/zinc/52/13/14/810521314.db2.gz QWHPKKKWGRSMDT-IXDOHACOSA-N 0 3 290.451 3.088 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001190388637 810625387 /nfs/dbraw/zinc/62/53/87/810625387.db2.gz OBCGIZPGKOIWDJ-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN N#Cc1ccnc(CN2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC001191071517 810670994 /nfs/dbraw/zinc/67/09/94/810670994.db2.gz WTWJJWDKQMEATD-MRXNPFEDSA-N 0 3 295.361 3.157 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001191590892 810726208 /nfs/dbraw/zinc/72/62/08/810726208.db2.gz HXYJXGWGUOXQNX-ILXRZTDVSA-N 0 3 294.439 3.023 20 30 CGEDHN CCC#C[C@H](C)N1CCC2(CC1)OCc1ccccc12 ZINC001192161765 810771941 /nfs/dbraw/zinc/77/19/41/810771941.db2.gz XYFANWYLCYYUFU-HNNXBMFYSA-N 0 3 269.388 3.310 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001192471477 810800666 /nfs/dbraw/zinc/80/06/66/810800666.db2.gz DEPCFZKIUOSRFI-DLBZAZTESA-N 0 3 292.467 3.478 20 30 CGEDHN C=CC[C@H](C)N1CCN(c2ccccc2F)C[C@@H]1C ZINC001194020992 811003823 /nfs/dbraw/zinc/00/38/23/811003823.db2.gz UJVZBWJFJMEHSN-KBPBESRZSA-N 0 3 262.372 3.301 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CCCCC(C)C)CC1 ZINC001197484123 811424238 /nfs/dbraw/zinc/42/42/38/811424238.db2.gz APLKFGOVFWYOHU-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C#CCN(Cc1cnc2ccccc2c1)C(C)(C)C ZINC001197929220 811464931 /nfs/dbraw/zinc/46/49/31/811464931.db2.gz FCWRPLWJGYQESN-UHFFFAOYSA-N 0 3 252.361 3.469 20 30 CGEDHN CCCCCCCCCNC(=S)N(C)[C@H]1CCN(C)C1 ZINC001200374912 811683419 /nfs/dbraw/zinc/68/34/19/811683419.db2.gz XGPYOVBPAPFGGD-HNNXBMFYSA-N 0 3 299.528 3.247 20 30 CGEDHN C=CC[C@@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccncc1 ZINC001200563025 811711076 /nfs/dbraw/zinc/71/10/76/811711076.db2.gz SXAFYHQTGQNRGV-CQSZACIVSA-N 0 3 294.358 3.071 20 30 CGEDHN COc1ccc(CN2CCC(C#N)CC2)c(C)c1C ZINC001203712977 812437695 /nfs/dbraw/zinc/43/76/95/812437695.db2.gz ODZWTXGVUDBQLA-UHFFFAOYSA-N 0 3 258.365 3.048 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC001203760305 812456436 /nfs/dbraw/zinc/45/64/36/812456436.db2.gz GYFGZAKQBDXWPR-GOSISDBHSA-N 0 3 296.345 3.351 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](C(F)F)C2)c1 ZINC001203762218 812458372 /nfs/dbraw/zinc/45/83/72/812458372.db2.gz AQSDFJANYUCUCL-ZDUSSCGKSA-N 0 3 250.292 3.035 20 30 CGEDHN Cn1cc(CN2CCC(C)(C#N)CC2)c2ccccc21 ZINC001204323776 812613056 /nfs/dbraw/zinc/61/30/56/812613056.db2.gz GREMHEJLQACBLZ-UHFFFAOYSA-N 0 3 267.376 3.304 20 30 CGEDHN Cc1c(F)cccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001204510246 812661137 /nfs/dbraw/zinc/66/11/37/812661137.db2.gz JPYIDQFIWWBGJP-XMQYKBBCSA-N 0 3 258.340 3.401 20 30 CGEDHN CCCCCCCCN1CC[C@@](N)(C(F)(F)F)C1 ZINC001206210980 813243094 /nfs/dbraw/zinc/24/30/94/813243094.db2.gz LNDBKIHIHKMEIU-LBPRGKRZSA-N 0 3 266.351 3.312 20 30 CGEDHN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCN1CCN(C)CC1 ZINC001206594932 813368676 /nfs/dbraw/zinc/36/86/76/813368676.db2.gz CUUIUAVZOMCLNO-FGTMMUONSA-N 0 3 294.483 3.021 20 30 CGEDHN CO[C@H](CNCc1cc(C#N)ccc1F)C1CCCCC1 ZINC001207557474 813594090 /nfs/dbraw/zinc/59/40/90/813594090.db2.gz KMHDFUFXIFMIMG-QGZVFWFLSA-N 0 3 290.382 3.382 20 30 CGEDHN C#CCC1(NCc2cc(C(=O)OC)c(C)o2)CCCCC1 ZINC001207658922 813629065 /nfs/dbraw/zinc/62/90/65/813629065.db2.gz ZLEAGPXQPHCXTB-UHFFFAOYSA-N 0 3 289.375 3.190 20 30 CGEDHN CCCCCCC/C=C/CN1CCO[C@@H](CN(C)C)C1 ZINC001208121158 813697423 /nfs/dbraw/zinc/69/74/23/813697423.db2.gz YVFMSJKWFXZHSI-DVQDXYAYSA-N 0 3 282.472 3.166 20 30 CGEDHN CCCCCCC/C=C/CN1CCO[C@H](CN(C)C)C1 ZINC001208121166 813698006 /nfs/dbraw/zinc/69/80/06/813698006.db2.gz YVFMSJKWFXZHSI-SXSDINLZSA-N 0 3 282.472 3.166 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCC(F)(F)[C@@H](CO)C2)CC1 ZINC001208171496 813725858 /nfs/dbraw/zinc/72/58/58/813725858.db2.gz VAMVGUORIFCMMC-HUUCEWRRSA-N 0 3 285.378 3.239 20 30 CGEDHN CC/C=C\CCCCCN1CCN(CCC#N)CC1 ZINC001208191736 813737289 /nfs/dbraw/zinc/73/72/89/813737289.db2.gz YBBRAWOGYBHQCT-ARJAWSKDSA-N 0 3 263.429 3.044 20 30 CGEDHN CC(C)Oc1ncccc1CCN1CCC[C@H](C#N)CC1 ZINC001208798826 813852420 /nfs/dbraw/zinc/85/24/20/813852420.db2.gz NUPWRXGUTHDACF-HNNXBMFYSA-N 0 3 287.407 3.037 20 30 CGEDHN C=CCCCCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC001209439443 814039201 /nfs/dbraw/zinc/03/92/01/814039201.db2.gz PWXFJLASXACWLS-SFHVURJKSA-N 0 3 294.483 3.310 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209599075 814097251 /nfs/dbraw/zinc/09/72/51/814097251.db2.gz IHGOOCBVTZWBNV-NSHDSACASA-N 0 3 273.767 3.062 20 30 CGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001209657788 814108787 /nfs/dbraw/zinc/10/87/87/814108787.db2.gz VSRVAZZNLLHSGC-GVDBMIGSSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001209784790 814139858 /nfs/dbraw/zinc/13/98/58/814139858.db2.gz XFZFROMPPLXBPS-INMHGKMJSA-N 0 3 280.456 3.215 20 30 CGEDHN COc1cccc(Nc2ccc3c(c2)CN(C)CC3)c1C#N ZINC001210127585 814302658 /nfs/dbraw/zinc/30/26/58/814302658.db2.gz DABWMLBMMRVDQT-UHFFFAOYSA-N 0 3 293.370 3.298 20 30 CGEDHN C[C@@H]1CC(=O)C=C(c2cccc(OCCN(C)C)c2)C1 ZINC001242744829 823120082 /nfs/dbraw/zinc/12/00/82/823120082.db2.gz PAXGVNGHESFSKH-ZDUSSCGKSA-N 0 3 273.376 3.009 20 30 CGEDHN C=C1CC[NH2+]C[C@H]1Oc1ccccc1Oc1ccccc1[O-] ZINC001218206306 816127531 /nfs/dbraw/zinc/12/75/31/816127531.db2.gz AQYPTRHTFANUSP-GOSISDBHSA-N 0 3 297.354 3.481 20 30 CGEDHN [O-]c1ccccc1/N=C/c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001218283368 816151884 /nfs/dbraw/zinc/15/18/84/816151884.db2.gz HMTPSNUXKZIUPA-SLDJAQPHSA-N 0 3 296.370 3.274 20 30 CGEDHN C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc([O-])c1Cl ZINC001218452066 816219703 /nfs/dbraw/zinc/21/97/03/816219703.db2.gz OJXKASLLNZKFKR-ZYHUDNBSSA-N 0 3 267.756 3.121 20 30 CGEDHN CCN1CCC[C@@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227787816 817720379 /nfs/dbraw/zinc/72/03/79/817720379.db2.gz LJLUVLJTOHXYBI-LLVKDONJSA-N 0 3 264.756 3.075 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001231659901 818152197 /nfs/dbraw/zinc/15/21/97/818152197.db2.gz WRQQAPUYKZOJAK-KRWDZBQOSA-N 0 3 299.414 3.222 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](Oc3cccc(C)n3)C2)c1 ZINC001231664726 818153800 /nfs/dbraw/zinc/15/38/00/818153800.db2.gz VMCRTBIBMJDIDO-SFHVURJKSA-N 0 3 292.382 3.025 20 30 CGEDHN C=C(C)CN(CC)Cc1cnc(-c2cccnc2)o1 ZINC001232133938 818262387 /nfs/dbraw/zinc/26/23/87/818262387.db2.gz SDXXYJNZJACMJQ-UHFFFAOYSA-N 0 3 257.337 3.135 20 30 CGEDHN O=C1C=C2CN(Cc3cc(Cl)cs3)CCC2S1 ZINC001232278746 818303375 /nfs/dbraw/zinc/30/33/75/818303375.db2.gz UAMDIOQLIXNWDJ-LLVKDONJSA-N 0 3 285.821 3.176 20 30 CGEDHN CCCCN1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001232607316 818394783 /nfs/dbraw/zinc/39/47/83/818394783.db2.gz KIHDWPXIPYXTDJ-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC(c2ccccc2)C1 ZINC001233082496 818519392 /nfs/dbraw/zinc/51/93/92/818519392.db2.gz OMDSQEFCUAMXLL-UHFFFAOYSA-N 0 3 262.356 3.466 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233683485 818680592 /nfs/dbraw/zinc/68/05/92/818680592.db2.gz QJFSEUXJKSAPFV-OAHLLOKOSA-N 0 3 294.414 3.283 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866498 818720423 /nfs/dbraw/zinc/72/04/23/818720423.db2.gz RCJWSRDMOOXIKO-XJKSGUPXSA-N 0 3 290.407 3.089 20 30 CGEDHN C#C[C@@H]1CCC[C@@H]1Oc1c(F)cc(CN(C)C)cc1OC ZINC001234244590 818815475 /nfs/dbraw/zinc/81/54/75/818815475.db2.gz QNWPNGLNWFYMEO-HIFRSBDPSA-N 0 3 291.366 3.077 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235193652 819032777 /nfs/dbraw/zinc/03/27/77/819032777.db2.gz SNGOVAZMRCDHHX-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN N#CCc1ccccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001235522597 819114132 /nfs/dbraw/zinc/11/41/32/819114132.db2.gz HOERAZMGVWBYOF-CYBMUJFWSA-N 0 3 268.282 3.137 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001235794510 819169179 /nfs/dbraw/zinc/16/91/79/819169179.db2.gz CYHFBPIKKGGVFS-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C[C@@H](c1ccccc1)N(CCO)Cc1cccc(C#N)c1 ZINC001236147105 819346579 /nfs/dbraw/zinc/34/65/79/819346579.db2.gz NUOAQAXMBSYACE-HNNXBMFYSA-N 0 3 280.371 3.114 20 30 CGEDHN C=CCOc1ccc(CN2CCc3c(N)cccc3C2)cc1 ZINC001236363300 819435424 /nfs/dbraw/zinc/43/54/24/819435424.db2.gz JEFXTCMNASXSNC-UHFFFAOYSA-N 0 3 294.398 3.392 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4ccoc43)CCC2S1 ZINC001236729214 819584191 /nfs/dbraw/zinc/58/41/91/819584191.db2.gz GLSNFDUNLCEVKO-AWEZNQCLSA-N 0 3 285.368 3.207 20 30 CGEDHN Cn1cc(CN2CCC[C@H](C#N)CC2)c2cc(C#N)ccc21 ZINC001237471689 819758901 /nfs/dbraw/zinc/75/89/01/819758901.db2.gz XTRVEAWPDZSMMJ-AWEZNQCLSA-N 0 3 292.386 3.176 20 30 CGEDHN CCCO[C@@H]1CCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237470388 819759213 /nfs/dbraw/zinc/75/92/13/819759213.db2.gz IRSDKTNRPFHAFT-MRXNPFEDSA-N 0 3 297.402 3.051 20 30 CGEDHN Cc1ccnc2cccc(CN3CCC(C#N)CC3)c12 ZINC001237623465 819789061 /nfs/dbraw/zinc/78/90/61/819789061.db2.gz GQDVDKIDSYMJRL-UHFFFAOYSA-N 0 3 265.360 3.279 20 30 CGEDHN N#CC1(c2ccccc2-c2cccc([O-])c2F)CC[NH2+]CC1 ZINC001243546291 823439143 /nfs/dbraw/zinc/43/91/43/823439143.db2.gz MAWXQLHRHICGCD-UHFFFAOYSA-N 0 3 296.345 3.343 20 30 CGEDHN N#Cc1cc(CN2C[C@@H]3CCC[C@@H]3C2)ccc1Cl ZINC001238188842 819950683 /nfs/dbraw/zinc/95/06/83/819950683.db2.gz IZBLHNTZXSXJJY-BETUJISGSA-N 0 3 260.768 3.444 20 30 CGEDHN C=CCN(C)Cc1cc(OC)ncc1-c1ccccc1 ZINC001238603827 820058442 /nfs/dbraw/zinc/05/84/42/820058442.db2.gz MYMTVQRETPPSHK-UHFFFAOYSA-N 0 3 268.360 3.375 20 30 CGEDHN CCc1cc(CN2CC[C@]3(C2)CCCCO3)ccc1C#N ZINC001238761588 820111774 /nfs/dbraw/zinc/11/17/74/820111774.db2.gz VELMJZKUVZRQBQ-SFHVURJKSA-N 0 3 284.403 3.266 20 30 CGEDHN CN(C)Cc1ccnc(-c2ccc(Cl)c(C#N)c2)c1 ZINC001240400783 821022645 /nfs/dbraw/zinc/02/26/45/821022645.db2.gz COWUXUKFIJUYPC-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN CCN(CCCSCC#N)Cc1ccccc1F ZINC001339742190 936383680 /nfs/dbraw/zinc/38/36/80/936383680.db2.gz NUAPORNOBYMPRW-UHFFFAOYSA-N 0 3 266.385 3.294 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001340458203 936405466 /nfs/dbraw/zinc/40/54/66/936405466.db2.gz YWJIJNMEJBHDFU-JHJVBQTASA-N 0 3 299.349 3.278 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC001341266051 936432738 /nfs/dbraw/zinc/43/27/38/936432738.db2.gz SDXYOTOUOTXUAO-OAHLLOKOSA-N 0 3 290.382 3.005 20 30 CGEDHN C[C@H]1COC(C)(C)CN1CCCCC1(C#N)CCC1 ZINC001341360146 936435642 /nfs/dbraw/zinc/43/56/42/936435642.db2.gz NNJXOUKOROWMAJ-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001341463277 936438712 /nfs/dbraw/zinc/43/87/12/936438712.db2.gz MQWPNYZPJQTVTE-HUUCEWRRSA-N 0 3 292.810 3.127 20 30 CGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCC=CCCC1 ZINC001342717624 936476142 /nfs/dbraw/zinc/47/61/42/936476142.db2.gz MSHCQCVGHVVBNX-ZBFHGGJFSA-N 0 3 296.370 3.470 20 30 CGEDHN C[C@@H](Cc1ccccc1Cl)NCC(C)(C)C#N ZINC001342711071 936476551 /nfs/dbraw/zinc/47/65/51/936476551.db2.gz XCOJFZUEYRZTSI-NSHDSACASA-N 0 3 250.773 3.410 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC(C1CCC1)C1CCC1 ZINC001342926347 936483693 /nfs/dbraw/zinc/48/36/93/936483693.db2.gz YFMYEAKVHDFBAE-HNNXBMFYSA-N 0 3 285.391 3.203 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001343719327 936511493 /nfs/dbraw/zinc/51/14/93/936511493.db2.gz ZDILNFOJICASTC-ARFHVFGLSA-N 0 3 293.370 3.180 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2ncc(Cl)n2C)c(C)s1 ZINC001344322497 936529502 /nfs/dbraw/zinc/52/95/02/936529502.db2.gz QOWFSVFPYYFGTN-JTQLQIEISA-N 0 3 293.779 3.242 20 30 CGEDHN C=C(C)CCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC001345133800 936803173 /nfs/dbraw/zinc/80/31/73/936803173.db2.gz ZVWZEBVJPQIHOG-UHFFFAOYSA-N 0 3 291.391 3.391 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCC=CCCC1 ZINC001345643281 936819107 /nfs/dbraw/zinc/81/91/07/936819107.db2.gz PKUFIXDVODNIAQ-KGLIPLIRSA-N 0 3 271.364 3.216 20 30 CGEDHN Cc1coc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c1C ZINC001346088425 936837300 /nfs/dbraw/zinc/83/73/00/936837300.db2.gz XTNNFZDACHREEL-AWEZNQCLSA-N 0 3 296.326 3.166 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CC(C(C)(C)C)C1 ZINC001346097036 936837891 /nfs/dbraw/zinc/83/78/91/936837891.db2.gz WHCKOJVCIZIGGC-ILDUYXDCSA-N 0 3 293.798 3.322 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)CC(C)C ZINC001346097136 936838056 /nfs/dbraw/zinc/83/80/56/936838056.db2.gz YONPAIDBDNQWOJ-CHWSQXEVSA-N 0 3 261.369 3.152 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCC1CCCC1 ZINC001346095527 936838170 /nfs/dbraw/zinc/83/81/70/936838170.db2.gz FMQREPBOPZUBSB-NSHDSACASA-N 0 3 279.771 3.220 20 30 CGEDHN C#CC1CCN(Cc2cc3c(cccc3C)[nH]2)CC1 ZINC001347400377 936882890 /nfs/dbraw/zinc/88/28/90/936882890.db2.gz HXZNJRSWJOWMDK-UHFFFAOYSA-N 0 3 252.361 3.322 20 30 CGEDHN Cc1ccc(CN(Cc2ccccc2)[C@H](C)CO)cc1C#N ZINC001348136092 936912095 /nfs/dbraw/zinc/91/20/95/936912095.db2.gz LUOFXXUEFWAJKK-MRXNPFEDSA-N 0 3 294.398 3.250 20 30 CGEDHN C=C(CC)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001348772068 936933341 /nfs/dbraw/zinc/93/33/41/936933341.db2.gz IXTMINYCJHFAKN-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1cccc(C)n1 ZINC001353482528 937066489 /nfs/dbraw/zinc/06/64/89/937066489.db2.gz MOSIGKXLIPSULP-MRXNPFEDSA-N 0 3 291.439 3.084 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1c(C)nn(C)c1C ZINC001356512872 927274512 /nfs/dbraw/zinc/27/45/12/927274512.db2.gz PVCKEQJUUKRDCS-AWEZNQCLSA-N 0 3 294.443 3.053 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CCCCCC)C1 ZINC001483678511 927568392 /nfs/dbraw/zinc/56/83/92/927568392.db2.gz ATHHHWUMKYULBB-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001484317640 927691398 /nfs/dbraw/zinc/69/13/98/927691398.db2.gz HULVGYWBIOEREE-MLRXNPTLSA-N 0 3 296.842 3.064 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C)(C)CCC ZINC001484997813 927783586 /nfs/dbraw/zinc/78/35/86/927783586.db2.gz MFIVDCFYEQAFKW-LBPRGKRZSA-N 0 3 274.836 3.050 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001485387154 927862907 /nfs/dbraw/zinc/86/29/07/927862907.db2.gz DKTHLRSPAYNZNU-CABCVRRESA-N 0 3 288.435 3.436 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)C1CCC1)C(C)C ZINC001486370490 928009753 /nfs/dbraw/zinc/00/97/53/928009753.db2.gz XVDHBKJJLQYETF-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230845022 928073257 /nfs/dbraw/zinc/07/32/57/928073257.db2.gz UXXXYRCLQIPGIR-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(CC=C)Cc1ccccc1-n1cccn1 ZINC000158118315 928259476 /nfs/dbraw/zinc/25/94/76/928259476.db2.gz KUQYABBXKKWIME-UHFFFAOYSA-N 0 3 253.349 3.046 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@](C)(C=C)CC ZINC001488653398 928287331 /nfs/dbraw/zinc/28/73/31/928287331.db2.gz IVIZJINKZVALRF-RDJZCZTQSA-N 0 3 278.440 3.088 20 30 CGEDHN CC#CCN(C)CCCNC(=O)[C@H](CC)CC1CCCC1 ZINC001490255408 928337698 /nfs/dbraw/zinc/33/76/98/928337698.db2.gz BOGNEBUKICTIEX-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(SC)c(OC)c1 ZINC001320427547 928491861 /nfs/dbraw/zinc/49/18/61/928491861.db2.gz GGQZINWJAOWNOM-YPMHNXCESA-N 0 3 281.421 3.269 20 30 CGEDHN COc1cccc(CN2CCC[C@H](CC#N)C2)c1C ZINC000930921603 928628014 /nfs/dbraw/zinc/62/80/14/928628014.db2.gz FQMBJEDJSZGOFT-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)CCCC ZINC001491206014 928845398 /nfs/dbraw/zinc/84/53/98/928845398.db2.gz HWZBVUOEMOYPFV-HZPDHXFCSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001440669746 937333060 /nfs/dbraw/zinc/33/30/60/937333060.db2.gz AYRMESLZIQIXHP-KRWDZBQOSA-N 0 3 288.435 3.324 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cc(Cl)ccc1F ZINC001459819707 937501643 /nfs/dbraw/zinc/50/16/43/937501643.db2.gz ZDSIKUVLUCDJPO-ZYHUDNBSSA-N 0 3 296.773 3.184 20 30 CGEDHN CC#CCN1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001460645880 937537977 /nfs/dbraw/zinc/53/79/77/937537977.db2.gz NRZZLDXGFVFSRQ-INIZCTEOSA-N 0 3 263.331 3.385 20 30 CGEDHN C=CCCCN(CC)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC001460897403 937551855 /nfs/dbraw/zinc/55/18/55/937551855.db2.gz CRRHVARIYLKFDD-CQSZACIVSA-N 0 3 278.440 3.064 20 30 CGEDHN CCCCCCCN1CCOC[C@H]1C[C@@H]1CCOC1 ZINC001460859029 937547827 /nfs/dbraw/zinc/54/78/27/937547827.db2.gz NPVZEMJAEPCJNP-JKSUJKDBSA-N 0 3 269.429 3.084 20 30 CGEDHN N#Cc1cc(F)ccc1CN[C@H]1CCOCC12CCCC2 ZINC001460967733 937556098 /nfs/dbraw/zinc/55/60/98/937556098.db2.gz SWZVIMLLDOZWLB-INIZCTEOSA-N 0 3 288.366 3.136 20 30 CGEDHN C#C[C@@H](CC(C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228944541 932057278 /nfs/dbraw/zinc/05/72/78/932057278.db2.gz ONYKFWOBZYXQFP-INIZCTEOSA-N 0 3 257.377 3.101 20 30 CGEDHN C#CCN(Cc1cnn(CC2CCC2)c1)C1CCCCC1 ZINC001461901343 937605496 /nfs/dbraw/zinc/60/54/96/937605496.db2.gz SDOQQCQFLRAABV-UHFFFAOYSA-N 0 3 285.435 3.451 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)NCc1cccc(F)c1 ZINC001491556316 932581650 /nfs/dbraw/zinc/58/16/50/932581650.db2.gz DKIMYGKNIHFCHC-ZIAGYGMSSA-N 0 3 292.398 3.022 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230574537 932591937 /nfs/dbraw/zinc/59/19/37/932591937.db2.gz GFIMWLDPIIOLDG-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230608787 932599108 /nfs/dbraw/zinc/59/91/08/932599108.db2.gz SHPJLHLACNZYFA-AWEZNQCLSA-N 0 3 284.419 3.014 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230823431 932627894 /nfs/dbraw/zinc/62/78/94/932627894.db2.gz HFDZPBNTZKLSRM-HUUCEWRRSA-N 0 3 298.496 3.015 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230923314 932643067 /nfs/dbraw/zinc/64/30/67/932643067.db2.gz BQKXNMAWWFNLLT-LSDHHAIUSA-N 0 3 298.496 3.017 20 30 CGEDHN CC(C)c1c(C#N)cccc1O[C@H]1CCCN(C)C1 ZINC001234853571 932687670 /nfs/dbraw/zinc/68/76/70/932687670.db2.gz GDQPPFPWDSHOGN-AWEZNQCLSA-N 0 3 258.365 3.155 20 30 CGEDHN Cc1cccnc1[C@H](N[C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC001254642827 932724383 /nfs/dbraw/zinc/72/43/83/932724383.db2.gz LDYFCKFADPTVLG-XNRPHZJLSA-N 0 3 255.365 3.123 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C=C(CC)CC)C1 ZINC001316646852 932758665 /nfs/dbraw/zinc/75/86/65/932758665.db2.gz BPYAWEOVADEODP-LSDHHAIUSA-N 0 3 298.858 3.360 20 30 CGEDHN C[C@@H](COc1ccc(F)cc1)NCc1csc(C#N)c1 ZINC001308256974 933083739 /nfs/dbraw/zinc/08/37/39/933083739.db2.gz NLKNGTXOKNERDC-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN Cc1ccc([C@@H](C)CNCC2(C#N)CCOCC2)cc1 ZINC001462653257 937656573 /nfs/dbraw/zinc/65/65/73/937656573.db2.gz KFUVHQFINNNLJD-HNNXBMFYSA-N 0 3 272.392 3.009 20 30 CGEDHN C#Cc1ccc(CNCc2cc(C)ccc2NC)cc1 ZINC001308410621 933106535 /nfs/dbraw/zinc/10/65/35/933106535.db2.gz SVIWQVRLLKFCHZ-UHFFFAOYSA-N 0 3 264.372 3.308 20 30 CGEDHN C#C[C@@H](C)NCc1ccnc2c(Br)cccc12 ZINC001308754524 933171475 /nfs/dbraw/zinc/17/14/75/933171475.db2.gz IHWNTPMOTUJKBB-SNVBAGLBSA-N 0 3 289.176 3.109 20 30 CGEDHN CCC[C@H](Cc1ccccc1)NCC1(C#N)CCOCC1 ZINC001308977297 933219028 /nfs/dbraw/zinc/21/90/28/933219028.db2.gz QDGPCOYUVSQCDH-QGZVFWFLSA-N 0 3 286.419 3.308 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H](C)c1cncs1 ZINC001341520512 933371732 /nfs/dbraw/zinc/37/17/32/933371732.db2.gz FGPGOOWRSWULJD-STQMWFEESA-N 0 3 297.468 3.398 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C=C2CCCCC2)C1 ZINC001316813114 933484657 /nfs/dbraw/zinc/48/46/57/933484657.db2.gz FNFUCBYWYLVMGD-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001317401313 933585717 /nfs/dbraw/zinc/58/57/17/933585717.db2.gz QKOCIXTXRDGNMM-XQLPTFJDSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CC1(CC(=O)N(C)CCNC[C@@H](F)CC)CCCCC1 ZINC001317637845 933626447 /nfs/dbraw/zinc/62/64/47/933626447.db2.gz AGRPROTUEOJSCB-HNNXBMFYSA-N 0 3 298.446 3.309 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC1(CNCC(=C)Cl)CCCC1 ZINC001318653920 933759039 /nfs/dbraw/zinc/75/90/39/933759039.db2.gz REUGZAJPZNXATM-CQSZACIVSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)CCC=C2 ZINC001467728732 937721380 /nfs/dbraw/zinc/72/13/80/937721380.db2.gz OKZWNPOCYHMJMF-UHFFFAOYSA-N 0 3 298.430 3.226 20 30 CGEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)C1(C)C ZINC001319418330 933872184 /nfs/dbraw/zinc/87/21/84/933872184.db2.gz OXPMDFGSFOKMAW-UHFFFAOYSA-N 0 3 258.365 3.209 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001468225882 937725748 /nfs/dbraw/zinc/72/57/48/937725748.db2.gz RIHFAIVSZOETQA-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C[C@H](COc1ccccc1F)NCc1ccc(C#N)s1 ZINC001319834288 933940754 /nfs/dbraw/zinc/94/07/54/933940754.db2.gz PNMXBPJTEUWFIF-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN Cc1cccnc1CNCCSCc1ccccc1C#N ZINC001320018483 933979332 /nfs/dbraw/zinc/97/93/32/933979332.db2.gz WUMDHMCYBXVGFZ-UHFFFAOYSA-N 0 3 297.427 3.285 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001320540348 934062999 /nfs/dbraw/zinc/06/29/99/934062999.db2.gz GPXXVXCHIXPXOS-CHWSQXEVSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CC[C@H](NCc1cccc(C(=O)OC)c1)c1ccncc1 ZINC001321117921 934152988 /nfs/dbraw/zinc/15/29/88/934152988.db2.gz KSFPWKDIUHKNNQ-KRWDZBQOSA-N 0 3 296.370 3.275 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CCc2c1cccc2Cl ZINC001321242578 934168770 /nfs/dbraw/zinc/16/87/70/934168770.db2.gz XVHKITAMMDDOFB-YGRLFVJLSA-N 0 3 251.757 3.118 20 30 CGEDHN C=CCCCCCCCCNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC001470384014 937752247 /nfs/dbraw/zinc/75/22/47/937752247.db2.gz DIINUKCQGVBXBD-HOTGVXAUSA-N 0 3 295.471 3.295 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)CCCc1sccc1C ZINC001322284952 934270567 /nfs/dbraw/zinc/27/05/67/934270567.db2.gz HTSLVRMJORBQNO-CQSZACIVSA-N 0 3 294.464 3.002 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)cc(C)c1 ZINC001322808105 934337685 /nfs/dbraw/zinc/33/76/85/934337685.db2.gz UORGVXNYHYVTIB-UHFFFAOYSA-N 0 3 294.826 3.108 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001323262455 934375224 /nfs/dbraw/zinc/37/52/24/934375224.db2.gz NRLHUGSGINOCRD-VUGNNNGISA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1CCCCCC ZINC001323277424 934378856 /nfs/dbraw/zinc/37/88/56/934378856.db2.gz LGLKGIILLNQCFH-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001323285858 934380042 /nfs/dbraw/zinc/38/00/42/934380042.db2.gz AKVWGTCUPRASFC-HZMVEIRTSA-N 0 3 292.467 3.193 20 30 CGEDHN C=CCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001323716151 934420648 /nfs/dbraw/zinc/42/06/48/934420648.db2.gz UVTWECFFSLZDPZ-OAHLLOKOSA-N 0 3 283.371 3.322 20 30 CGEDHN C=CCO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001323716151 934420653 /nfs/dbraw/zinc/42/06/53/934420653.db2.gz UVTWECFFSLZDPZ-OAHLLOKOSA-N 0 3 283.371 3.322 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC001324023683 934450098 /nfs/dbraw/zinc/45/00/98/934450098.db2.gz YRKKNCYUQLVIEM-JSGCOSHPSA-N 0 3 251.345 3.294 20 30 CGEDHN CC[C@@H](C)N[C@@H](CNc1cc(C)c(C#N)cn1)c1ccco1 ZINC001472778768 937783700 /nfs/dbraw/zinc/78/37/00/937783700.db2.gz OJKQOOFWQUKCAU-HIFRSBDPSA-N 0 3 298.390 3.396 20 30 CGEDHN C=C1CCN(Cc2cnc(N(C)C)c3ccccc23)CC1 ZINC001473149089 937794164 /nfs/dbraw/zinc/79/41/64/937794164.db2.gz NNLMZYVQSPFPNQ-UHFFFAOYSA-N 0 3 281.403 3.453 20 30 CGEDHN C=CCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001473335225 937801895 /nfs/dbraw/zinc/80/18/95/937801895.db2.gz YYTBXSJIRBZJSI-UONOGXRCSA-N 0 3 282.428 3.282 20 30 CGEDHN C#CCN1CCC(C)(CNC(=O)C(CCC)CCC)CC1 ZINC001324879686 934868756 /nfs/dbraw/zinc/86/87/56/934868756.db2.gz DBQWHAXFBZOBSE-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCCCCC)C1 ZINC001324974519 934878606 /nfs/dbraw/zinc/87/86/06/934878606.db2.gz AOSYIVJDOTVCOO-SFHVURJKSA-N 0 3 292.467 3.198 20 30 CGEDHN C#CCN(C[C@H]1CCC2(CCCCCC2)O1)C1CC1 ZINC001473482048 937808420 /nfs/dbraw/zinc/80/84/20/937808420.db2.gz PHYLATNBXREHAN-MRXNPFEDSA-N 0 3 261.409 3.356 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)CC)c1ccccc1CC ZINC001325363089 934907353 /nfs/dbraw/zinc/90/73/53/934907353.db2.gz PMKSYQUDDYWMJP-YOEHRIQHSA-N 0 3 288.435 3.228 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC001325619302 934920600 /nfs/dbraw/zinc/92/06/00/934920600.db2.gz BRKAFYCMDKYZOP-JQWIXIFHSA-N 0 3 269.772 3.200 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001326190878 934958015 /nfs/dbraw/zinc/95/80/15/934958015.db2.gz LFWMKCPOGXILEU-CYBMUJFWSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(C)c1)[C@H](C)COC ZINC001473637892 937815449 /nfs/dbraw/zinc/81/54/49/937815449.db2.gz XJSCOJFESITTQU-CQSZACIVSA-N 0 3 263.381 3.027 20 30 CGEDHN CCc1cccc(CNCc2cccc(OCC#N)c2)c1 ZINC001326779048 935005595 /nfs/dbraw/zinc/00/55/95/935005595.db2.gz SRWOPAGGHGFWKJ-UHFFFAOYSA-N 0 3 280.371 3.441 20 30 CGEDHN N#Cc1cc(F)ccc1CNC1(CO)CCCCCCC1 ZINC001473731312 937819141 /nfs/dbraw/zinc/81/91/41/937819141.db2.gz RQPGJFDFYJMTHA-UHFFFAOYSA-N 0 3 290.382 3.262 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(C)c(Cl)cc1C ZINC001329501110 935220829 /nfs/dbraw/zinc/22/08/29/935220829.db2.gz OKWCZTSYVDXWAH-CYBMUJFWSA-N 0 3 294.826 3.193 20 30 CGEDHN CC#CCN[C@H](C)CN(C)C(=O)C(C)(C)CCCCC ZINC001331645000 935400709 /nfs/dbraw/zinc/40/07/09/935400709.db2.gz TVXOJUAWSLGHRZ-OAHLLOKOSA-N 0 3 280.456 3.053 20 30 CGEDHN N#CC1CCC(CN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001333118019 935511644 /nfs/dbraw/zinc/51/16/44/935511644.db2.gz GGDLGNQWFFQLCU-UHFFFAOYSA-N 0 3 299.374 3.283 20 30 CGEDHN CO[C@H](CNCc1csc(C#N)c1)c1ccc(F)cc1 ZINC001333505171 935541159 /nfs/dbraw/zinc/54/11/59/935541159.db2.gz PTQSHIYPHCNRJC-OAHLLOKOSA-N 0 3 290.363 3.236 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@H](C3CCCC3)C2)c1 ZINC001473886607 937827639 /nfs/dbraw/zinc/82/76/39/937827639.db2.gz FKSZOOXEVYFIGG-INIZCTEOSA-N 0 3 269.392 3.355 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc[nH]2)c1 ZINC001474100043 937840155 /nfs/dbraw/zinc/84/01/55/937840155.db2.gz IVMJIHDWPDSWBW-ZDUSSCGKSA-N 0 3 256.349 3.430 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)c2ccc[nH]2)cc1OC ZINC001474099819 937840213 /nfs/dbraw/zinc/84/02/13/937840213.db2.gz HYKACNGTTKSXDB-CYBMUJFWSA-N 0 3 286.375 3.439 20 30 CGEDHN COC1(CNCC2(C#N)CCC2)CCCCCC1 ZINC001474584633 937868815 /nfs/dbraw/zinc/86/88/15/937868815.db2.gz DXXQDLHKFIHDRA-UHFFFAOYSA-N 0 3 250.386 3.009 20 30 CGEDHN CC1(C#N)CCC(N[C@@H](CO)c2cc(F)ccc2F)CC1 ZINC001474750747 937878972 /nfs/dbraw/zinc/87/89/72/937878972.db2.gz WREMAHQPONVFQX-NRAUKZCXSA-N 0 3 294.345 3.060 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001479226528 937917764 /nfs/dbraw/zinc/91/77/64/937917764.db2.gz VEWGZHFORBTMMO-UPTPFMHGSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CCC)CC1 ZINC001494672761 937955572 /nfs/dbraw/zinc/95/55/72/937955572.db2.gz LWENBMICCMAHPC-JYJNAYRXSA-N 0 3 290.451 3.207 20 30 CGEDHN C#CCCN1CC[C@@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001494794399 937956348 /nfs/dbraw/zinc/95/63/48/937956348.db2.gz UUXHPAAMVRGGKW-SJLPKXTDSA-N 0 3 292.467 3.197 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001494850933 937956781 /nfs/dbraw/zinc/95/67/81/937956781.db2.gz NMYRORKMHYJZRV-CVEARBPZSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccco1 ZINC001496377047 937962181 /nfs/dbraw/zinc/96/21/81/937962181.db2.gz UNMXURGQTKENEX-CYBMUJFWSA-N 0 3 296.798 3.007 20 30 CGEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001496792611 937964231 /nfs/dbraw/zinc/96/42/31/937964231.db2.gz RCYUNIMHNKDUPB-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001500258534 937976783 /nfs/dbraw/zinc/97/67/83/937976783.db2.gz UPJOHRQEBXPFOE-BBRMVZONSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001502907367 937983634 /nfs/dbraw/zinc/98/36/34/937983634.db2.gz VWOFMNUNRCCGLS-UKRRQHHQSA-N 0 3 292.448 3.183 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001503200466 937984173 /nfs/dbraw/zinc/98/41/73/937984173.db2.gz TZWMNLOZXPGHDL-KBPBESRZSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001521872327 938034919 /nfs/dbraw/zinc/03/49/19/938034919.db2.gz PXUAAGYKYZVNHV-IINYFYTJSA-N 0 3 298.789 3.340 20 30 CGEDHN C=CC[C@H](C)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001559538160 938228963 /nfs/dbraw/zinc/22/89/63/938228963.db2.gz QNYGVCDFONKDCA-GOEBONIOSA-N 0 3 272.392 3.078 20 30 CGEDHN CC(C)(C)CN(CCC#N)CCCCCCCO ZINC001559554027 938229469 /nfs/dbraw/zinc/22/94/69/938229469.db2.gz RCDQNYFGOHUITG-UHFFFAOYSA-N 0 3 254.418 3.191 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001559746716 938234161 /nfs/dbraw/zinc/23/41/61/938234161.db2.gz IBIDAVZFSQPRLQ-UHFFFAOYSA-N 0 3 287.403 3.486 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@H](C2CCCCC2)C1 ZINC001559977385 938240717 /nfs/dbraw/zinc/24/07/17/938240717.db2.gz SYLRKKOXJIZSDY-LSDHHAIUSA-N 0 3 265.397 3.006 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001560151689 938245077 /nfs/dbraw/zinc/24/50/77/938245077.db2.gz NHHGTYIJDNUBMO-AWEZNQCLSA-N 0 3 282.428 3.284 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCC1CCCCC1 ZINC001565833189 960835727 /nfs/dbraw/zinc/83/57/27/960835727.db2.gz LFSQIXCFPNSDGM-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)[C@H]1C ZINC001566104060 960878329 /nfs/dbraw/zinc/87/83/29/960878329.db2.gz IZZHESUOQPYNGV-ZNMIVQPWSA-N 0 3 280.456 3.214 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC1(C)C ZINC001566124588 960893732 /nfs/dbraw/zinc/89/37/32/960893732.db2.gz YXPUOHUEUVBHAM-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC001566119626 960895203 /nfs/dbraw/zinc/89/52/03/960895203.db2.gz MANAMTZWQDWYPH-KRWDZBQOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001566671834 960978688 /nfs/dbraw/zinc/97/86/88/960978688.db2.gz BXANAAWUNKAIGR-TWVNLXSWSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001566750756 961001106 /nfs/dbraw/zinc/00/11/06/961001106.db2.gz QNIPZSHUVKXWPU-VVLHAWIVSA-N 0 3 292.467 3.453 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001567379099 961306829 /nfs/dbraw/zinc/30/68/29/961306829.db2.gz NZMMTNLTTCHXBO-UKRRQHHQSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(CC1=CCCCC1)C1CC1 ZINC001567446822 961346909 /nfs/dbraw/zinc/34/69/09/961346909.db2.gz JMEKFEFHSRDTGQ-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)CC/C=C/c1ccccc1 ZINC001569137637 961698843 /nfs/dbraw/zinc/69/88/43/961698843.db2.gz GDUIANYPHYUEMD-RCLKMUNOSA-N 0 3 286.419 3.103 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001569346084 961738569 /nfs/dbraw/zinc/73/85/69/961738569.db2.gz AXIOKEOTGGSMMV-WFASDCNBSA-N 0 3 290.407 3.055 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001570740549 962076980 /nfs/dbraw/zinc/07/69/80/962076980.db2.gz QXKAHTWGLQZUNW-ZQIUZPCESA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCC1(C(=O)N[C@H](C)C2CN(CC=C(C)C)C2)CCC1 ZINC001570853941 962100944 /nfs/dbraw/zinc/10/09/44/962100944.db2.gz LJRSMEHWYZPZSZ-OAHLLOKOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)[C@H](N)C[C@@H](C)CC ZINC001574927650 962328795 /nfs/dbraw/zinc/32/87/95/962328795.db2.gz RROOMKGAEQPFSI-GOEBONIOSA-N 0 3 280.456 3.345 20 30 CGEDHN C=CC[N@@H+](CC/C=C/CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632196 963289468 /nfs/dbraw/zinc/28/94/68/963289468.db2.gz MXIRYGKFYXFAQU-AATRIKPKSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@H+](CC/C=C/CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632196 963289487 /nfs/dbraw/zinc/28/94/87/963289487.db2.gz MXIRYGKFYXFAQU-AATRIKPKSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@@H+](CC/C=C/CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632196 963289498 /nfs/dbraw/zinc/28/94/98/963289498.db2.gz MXIRYGKFYXFAQU-AATRIKPKSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@H+](CC/C=C/CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632196 963289509 /nfs/dbraw/zinc/28/95/09/963289509.db2.gz MXIRYGKFYXFAQU-AATRIKPKSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC(C)(C)CNCc1ccnn1CCc1ccccc1 ZINC000621359311 349506619 /nfs/dbraw/zinc/50/66/19/349506619.db2.gz CGSLPEUJDZKPIL-UHFFFAOYSA-N 0 3 283.419 3.428 20 30 CGEDHN C=CC[C@H]1N(Cc2nccnc2C)CCCC1(C)C ZINC000621725442 349567707 /nfs/dbraw/zinc/56/77/07/349567707.db2.gz OQKNUVYBZAYQQM-OAHLLOKOSA-N 0 3 259.397 3.352 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651824260 398294197 /nfs/dbraw/zinc/29/41/97/398294197.db2.gz LMIMEXPJEGCGSF-DGCLKSJQSA-N 0 3 283.774 3.383 20 30 CGEDHN C[C@H](c1ccccc1)[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000590712585 346866893 /nfs/dbraw/zinc/86/68/93/346866893.db2.gz PHGVPXCZZXDVKV-VCBZYWHSSA-N 0 3 294.398 3.373 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000652062469 398322041 /nfs/dbraw/zinc/32/20/41/398322041.db2.gz KUCJCLAQTTUTSU-OAHLLOKOSA-N 0 3 279.330 3.483 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@H]2COCC2(C)C)cc1 ZINC000590761766 346872815 /nfs/dbraw/zinc/87/28/15/346872815.db2.gz JHRQMQSEESVFIX-HNNXBMFYSA-N 0 3 272.392 3.002 20 30 CGEDHN COC(=O)C[C@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000591012802 346894124 /nfs/dbraw/zinc/89/41/24/346894124.db2.gz CTXZXGPPAKPRDH-OAHLLOKOSA-N 0 3 292.423 3.268 20 30 CGEDHN C[C@@H](CCC#N)N1CCC2(CC1)OCc1ccccc12 ZINC000591016765 346894777 /nfs/dbraw/zinc/89/47/77/346894777.db2.gz WZZDSJKZFVKYKF-AWEZNQCLSA-N 0 3 270.376 3.200 20 30 CGEDHN CC(C)(C#N)CN[C@H]1CCc2cccc(Cl)c2C1 ZINC000591260718 346912085 /nfs/dbraw/zinc/91/20/85/346912085.db2.gz MSYZAACBFFGRIG-LBPRGKRZSA-N 0 3 262.784 3.337 20 30 CGEDHN C=CCOCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348100 346917056 /nfs/dbraw/zinc/91/70/56/346917056.db2.gz IUFVBGZVJVAWTJ-MRXNPFEDSA-N 0 3 290.363 3.155 20 30 CGEDHN CC[C@H](NCc1cnc2n1CCCC2)c1ccc(C#N)cc1 ZINC000367439845 529634890 /nfs/dbraw/zinc/63/48/90/529634890.db2.gz XOUSGICRLBEXOF-KRWDZBQOSA-N 0 3 294.402 3.332 20 30 CGEDHN Cc1nc(CN)ccc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000591570979 346929350 /nfs/dbraw/zinc/92/93/50/346929350.db2.gz NQYHZHASJANZDI-OLZOCXBDSA-N 0 3 294.402 3.132 20 30 CGEDHN C=C(C)COCCNCc1ccc(Cl)c(OC)c1 ZINC000623449566 349812289 /nfs/dbraw/zinc/81/22/89/349812289.db2.gz APSTXQHTKOCQSG-UHFFFAOYSA-N 0 3 269.772 3.031 20 30 CGEDHN C=CC(C)(C)CNCc1cc(C)c(Br)cn1 ZINC000623538379 349829292 /nfs/dbraw/zinc/82/92/92/349829292.db2.gz AXKCLKIFFGFAAJ-UHFFFAOYSA-N 0 3 283.213 3.454 20 30 CGEDHN N#Cc1cnccc1CN1CCC[C@H]1C1CCCCC1 ZINC000592061080 346958546 /nfs/dbraw/zinc/95/85/46/346958546.db2.gz STHGENIXYZDPNY-KRWDZBQOSA-N 0 3 269.392 3.498 20 30 CGEDHN Cc1ccc(C[C@H]2CCCN2Cc2ccncc2C#N)cc1 ZINC000592070861 346960466 /nfs/dbraw/zinc/96/04/66/346960466.db2.gz RQFJLVLXWRLKOO-LJQANCHMSA-N 0 3 291.398 3.469 20 30 CGEDHN C=CCc1cc(CN(CC)CCSC)cc(OC)c1O ZINC000592530078 346997748 /nfs/dbraw/zinc/99/77/48/346997748.db2.gz VZGKAQYKNZCMRJ-UHFFFAOYSA-N 0 3 295.448 3.314 20 30 CGEDHN C[C@@]1(c2cccc(F)c2)CCN(CCCSCC#N)C1 ZINC000593046578 347031983 /nfs/dbraw/zinc/03/19/83/347031983.db2.gz OYAALWSWOPHZKH-MRXNPFEDSA-N 0 3 292.423 3.436 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593041354 347032039 /nfs/dbraw/zinc/03/20/39/347032039.db2.gz RZHHEENKFWJVQQ-CJNGLKHVSA-N 0 3 260.356 3.481 20 30 CGEDHN C[C@@H](COCC1CC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000593183404 347048480 /nfs/dbraw/zinc/04/84/80/347048480.db2.gz WBBFUJYHFVYBTC-STQMWFEESA-N 0 3 258.365 3.024 20 30 CGEDHN CCc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041574114 344971617 /nfs/dbraw/zinc/97/16/17/344971617.db2.gz GAKMPDHWFQSLOW-OAHLLOKOSA-N 0 3 279.343 3.146 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1)Oc1ccccc1 ZINC000073006189 232174407 /nfs/dbraw/zinc/17/44/07/232174407.db2.gz RWHJCPYRNZGRMC-AWEZNQCLSA-N 0 3 266.344 3.115 20 30 CGEDHN CCC1CCC(N(C)Cc2ccnc(C#N)c2)CC1 ZINC000068766151 345361650 /nfs/dbraw/zinc/36/16/50/345361650.db2.gz FKTLJTIZSAWYHK-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)(C)C1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000068766597 345362173 /nfs/dbraw/zinc/36/21/73/345362173.db2.gz MSJMSZZCKCJGKI-UHFFFAOYSA-N 0 3 257.381 3.211 20 30 CGEDHN CSCCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000075715156 345519773 /nfs/dbraw/zinc/51/97/73/345519773.db2.gz RSGWJFHXCSEQTI-UHFFFAOYSA-N 0 3 290.432 3.155 20 30 CGEDHN CC(C)[C@H](CO)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000093529887 345882930 /nfs/dbraw/zinc/88/29/30/345882930.db2.gz YIYYHSKXQYJTFQ-SFHVURJKSA-N 0 3 298.386 3.170 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000148852598 346129711 /nfs/dbraw/zinc/12/97/11/346129711.db2.gz FMDMCMJUWVHVOY-GOSISDBHSA-N 0 3 283.419 3.202 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000178408611 232388671 /nfs/dbraw/zinc/38/86/71/232388671.db2.gz CNDVMZRKXJXJOE-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccnn1-c1ccccc1 ZINC000281491337 346418330 /nfs/dbraw/zinc/41/83/30/346418330.db2.gz GIAUMGXVVKABPO-CQSZACIVSA-N 0 3 287.432 3.442 20 30 CGEDHN C=CCc1cc(CN2CC[C@H](SC)C2)cc(OC)c1O ZINC000295017157 346433665 /nfs/dbraw/zinc/43/36/65/346433665.db2.gz KEZCRXMSOKVEAX-AWEZNQCLSA-N 0 3 293.432 3.067 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2ccc(C(=O)OCC)o2)C1 ZINC000593627247 347096265 /nfs/dbraw/zinc/09/62/65/347096265.db2.gz BKNJXRAMKAILHN-CHWSQXEVSA-N 0 3 277.364 3.291 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000335999282 346497631 /nfs/dbraw/zinc/49/76/31/346497631.db2.gz NVDPMJCSUKAQDD-KDOFPFPSSA-N 0 3 290.366 3.320 20 30 CGEDHN C[C@@H]1CCN(CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000383107804 346561763 /nfs/dbraw/zinc/56/17/63/346561763.db2.gz KVDMHJVZYCHQFC-QGZVFWFLSA-N 0 3 297.446 3.277 20 30 CGEDHN C[C@H](Cc1ccc(F)cc1)NCC1(C#N)CCCC1 ZINC000405127024 346602906 /nfs/dbraw/zinc/60/29/06/346602906.db2.gz BFCWZZPVNCLBAT-CYBMUJFWSA-N 0 3 260.356 3.430 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](C(C)C)[C@H](C)C2)nn1 ZINC000424166787 346612689 /nfs/dbraw/zinc/61/26/89/346612689.db2.gz BHOKKPFHSAHNTI-FMKPAKJESA-N 0 3 276.428 3.015 20 30 CGEDHN CC(C)CC[C@H](NC1CCN(CC#N)CC1)c1ccoc1 ZINC000586789856 346735942 /nfs/dbraw/zinc/73/59/42/346735942.db2.gz CVMOQCGQZUYYQD-KRWDZBQOSA-N 0 3 289.423 3.334 20 30 CGEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](N)CCCCC#N ZINC000594428007 347174009 /nfs/dbraw/zinc/17/40/09/347174009.db2.gz YWNWXXDVVHNEDX-OAHLLOKOSA-N 0 3 287.407 3.468 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000594432723 347174860 /nfs/dbraw/zinc/17/48/60/347174860.db2.gz AXIFLGGVNCMPOB-SJORKVTESA-N 0 3 299.418 3.055 20 30 CGEDHN CC(C)CC[C@@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594445457 347174902 /nfs/dbraw/zinc/17/49/02/347174902.db2.gz GASFDWYGNUJMPA-JKSUJKDBSA-N 0 3 293.455 3.215 20 30 CGEDHN CSc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1C ZINC000594454075 347176354 /nfs/dbraw/zinc/17/63/54/347176354.db2.gz SITDFKBBFYSFQO-ZDUSSCGKSA-N 0 3 291.420 3.067 20 30 CGEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2F)CS1 ZINC000594494515 347177589 /nfs/dbraw/zinc/17/75/89/347177589.db2.gz GXQHGKRTDSOOQV-ZWNOBZJWSA-N 0 3 264.369 3.071 20 30 CGEDHN Cc1cnc(CCNCc2ccc(C#N)cc2F)c(C)c1 ZINC000594522285 347188908 /nfs/dbraw/zinc/18/89/08/347188908.db2.gz OYAXNJBJBKSMOV-UHFFFAOYSA-N 0 3 283.350 3.042 20 30 CGEDHN CO[C@H](CNCc1cc(C#N)cs1)C1CCCCC1 ZINC000594996296 347252322 /nfs/dbraw/zinc/25/23/22/347252322.db2.gz ADTIGSJZBRAZJE-OAHLLOKOSA-N 0 3 278.421 3.305 20 30 CGEDHN C[C@@H]1C[C@H](C)CN(CCSc2ccncc2C#N)C1 ZINC000594913672 347228079 /nfs/dbraw/zinc/22/80/79/347228079.db2.gz AVVXPPLSJKLWEW-BETUJISGSA-N 0 3 275.421 3.023 20 30 CGEDHN Cc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594925146 347231170 /nfs/dbraw/zinc/23/11/70/347231170.db2.gz LIKNACKTKJOTNE-UHFFFAOYSA-N 0 3 277.371 3.235 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H](SCC)C2)nn1 ZINC000594941739 347236274 /nfs/dbraw/zinc/23/62/74/347236274.db2.gz UGMJYFUJGCERLM-DZGCQCFKSA-N 0 3 294.468 3.008 20 30 CGEDHN Cc1ccc2cc(CN[C@@H]3CC[C@H](C#N)C3)[nH]c2c1 ZINC000594949911 347238566 /nfs/dbraw/zinc/23/85/66/347238566.db2.gz HWMYORGDRBEBDF-GXTWGEPZSA-N 0 3 253.349 3.258 20 30 CGEDHN COc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1C ZINC000595101014 347284477 /nfs/dbraw/zinc/28/44/77/347284477.db2.gz AFBTVCSEXGHZGF-ZFWWWQNUSA-N 0 3 258.365 3.176 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000595257037 347285510 /nfs/dbraw/zinc/28/55/10/347285510.db2.gz HHKRKKDSAMREQS-QGZVFWFLSA-N 0 3 297.402 3.386 20 30 CGEDHN CC(C)=CCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000595286515 347286792 /nfs/dbraw/zinc/28/67/92/347286792.db2.gz KBWKNKBFRXTVNL-UHFFFAOYSA-N 0 3 283.419 3.032 20 30 CGEDHN CC(C)[C@@H]1CN(CCc2ccc(C#N)cc2)CCS1 ZINC000595330291 347293193 /nfs/dbraw/zinc/29/31/93/347293193.db2.gz IIFQGQUCIKAUDP-INIZCTEOSA-N 0 3 274.433 3.174 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(C[C@@H]2CCCCC2(C)C)CC1 ZINC000595399309 347298500 /nfs/dbraw/zinc/29/85/00/347298500.db2.gz VJXUTQSWJNFRQN-DLBZAZTESA-N 0 3 291.483 3.369 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2cnccc2o1 ZINC000595044717 347267901 /nfs/dbraw/zinc/26/79/01/347267901.db2.gz OGJPHSACTTWEBY-NTZNESFSSA-N 0 3 255.321 3.171 20 30 CGEDHN C[C@H](NC[C@H]1CCN1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054471 347270898 /nfs/dbraw/zinc/27/08/98/347270898.db2.gz PTASMNPNVRJEOA-SWLSCSKDSA-N 0 3 289.398 3.221 20 30 CGEDHN C=CCCN[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000595057733 347272893 /nfs/dbraw/zinc/27/28/93/347272893.db2.gz DIAOWIHNEZERNA-GFCCVEGCSA-N 0 3 277.364 3.308 20 30 CGEDHN COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000595071423 347276509 /nfs/dbraw/zinc/27/65/09/347276509.db2.gz YZUMKZHFPUALHZ-UNEWFSDZSA-N 0 3 288.391 3.055 20 30 CGEDHN CC[C@@H](NCc1c(C2CC2)cnn1C)c1ccc(C#N)cc1 ZINC000595075405 347278068 /nfs/dbraw/zinc/27/80/68/347278068.db2.gz BBOWNNGMUXNFFO-QGZVFWFLSA-N 0 3 294.402 3.410 20 30 CGEDHN C[C@H](NCCc1ccoc1)c1ccc(C#N)cc1F ZINC000595082667 347279503 /nfs/dbraw/zinc/27/95/03/347279503.db2.gz CKYIZILOQCJQMG-NSHDSACASA-N 0 3 258.296 3.184 20 30 CGEDHN C[C@@H](NC[C@]1(C)CC1(F)F)c1ccc(C#N)c(F)c1 ZINC000595081896 347279880 /nfs/dbraw/zinc/27/98/80/347279880.db2.gz UBGYOBJSLVTREQ-RNCFNFMXSA-N 0 3 268.282 3.393 20 30 CGEDHN COCC[C@@H]1CCC[C@H]1NCC1(C#N)CCCCC1 ZINC000595090535 347280711 /nfs/dbraw/zinc/28/07/11/347280711.db2.gz HISQHDMRSSGYNG-LSDHHAIUSA-N 0 3 264.413 3.255 20 30 CGEDHN CC[C@@H](C)N(CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595600207 347324230 /nfs/dbraw/zinc/32/42/30/347324230.db2.gz OALWOUCCBWUTNL-LLVKDONJSA-N 0 3 293.798 3.271 20 30 CGEDHN Cc1cc(-n2ccnc2)ccc1CN1CCC[C@@H](CC#N)C1 ZINC000595623557 347329610 /nfs/dbraw/zinc/32/96/10/347329610.db2.gz TZWSIBSTHFOKAI-INIZCTEOSA-N 0 3 294.402 3.306 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](C3CCCCC3)C2)ccn1 ZINC000595731644 347348836 /nfs/dbraw/zinc/34/88/36/347348836.db2.gz AZCBMFKVNUPCSU-INIZCTEOSA-N 0 3 269.392 3.355 20 30 CGEDHN COc1cccc([C@]2(C)CCN([C@H](C)CCC#N)C2)c1 ZINC000595764439 347352561 /nfs/dbraw/zinc/35/25/61/347352561.db2.gz ISZDFSKUWVWKFB-RHSMWYFYSA-N 0 3 272.392 3.351 20 30 CGEDHN C=CCN(Cc1cc(C)c(C(=O)OC)o1)C(C)(C)C ZINC000595763360 347352713 /nfs/dbraw/zinc/35/27/13/347352713.db2.gz OTUSBRGADVZJOL-UHFFFAOYSA-N 0 3 265.353 3.161 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3C[C@H]3C2)c(OC(F)F)c1 ZINC000595805998 347357445 /nfs/dbraw/zinc/35/74/45/347357445.db2.gz CTIDPKBHEDUYEQ-AAEUAGOBSA-N 0 3 278.302 3.001 20 30 CGEDHN CN(c1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000595826765 347361592 /nfs/dbraw/zinc/36/15/92/347361592.db2.gz OVJOWEVXFPYDQG-LJQANCHMSA-N 0 3 291.398 3.269 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858511 347368291 /nfs/dbraw/zinc/36/82/91/347368291.db2.gz WPYGYWLMAQJYEB-JFOKOBIRSA-N 0 3 297.402 3.148 20 30 CGEDHN CCN(CCOc1ccccc1OC)[C@@H](C)CCC#N ZINC000595884430 347370047 /nfs/dbraw/zinc/37/00/47/347370047.db2.gz FNKCAHLUWZKTDR-AWEZNQCLSA-N 0 3 276.380 3.088 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cc(-n3ccnc3)cs2)C1 ZINC000597178248 347545266 /nfs/dbraw/zinc/54/52/66/347545266.db2.gz WPMZSHPFGDPONC-ZDUSSCGKSA-N 0 3 286.404 3.059 20 30 CGEDHN CC(C)(CCC#N)CN[C@H]1CCCc2scnc21 ZINC000599047026 347710324 /nfs/dbraw/zinc/71/03/24/347710324.db2.gz NUQJXTRQVZWBEJ-NSHDSACASA-N 0 3 263.410 3.440 20 30 CGEDHN CC[C@@H]1c2ccsc2CCN1C[C@H](O)CC(C)(C)C#N ZINC000598585834 347666727 /nfs/dbraw/zinc/66/67/27/347666727.db2.gz KZOQUCIZYLWTKE-TZMCWYRMSA-N 0 3 292.448 3.358 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1cccc(F)c1 ZINC000598585230 347666733 /nfs/dbraw/zinc/66/67/33/347666733.db2.gz AKWGJHKNLKBIAQ-CVEARBPZSA-N 0 3 290.382 3.263 20 30 CGEDHN C[C@H](c1ccccc1F)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598585442 347666856 /nfs/dbraw/zinc/66/68/56/347666856.db2.gz CXKPDUPZDDEGKJ-OLZOCXBDSA-N 0 3 278.371 3.119 20 30 CGEDHN CC(C)N(Cc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598587363 347666941 /nfs/dbraw/zinc/66/69/41/347666941.db2.gz RGLYEOILPKISCC-HNNXBMFYSA-N 0 3 292.398 3.337 20 30 CGEDHN Cc1ccc([C@H]2CCCN2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592121 347667579 /nfs/dbraw/zinc/66/75/79/347667579.db2.gz FXHOANYYHBMFPA-ZIAGYGMSSA-N 0 3 276.380 3.026 20 30 CGEDHN CCc1ccc([C@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592294 347667808 /nfs/dbraw/zinc/66/78/08/347667808.db2.gz IZPSVRRFQZDFPD-DZGCQCFKSA-N 0 3 290.407 3.280 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CC3)CC2)cc1F ZINC000599672438 347763028 /nfs/dbraw/zinc/76/30/28/347763028.db2.gz DVLKBSABNNXFLR-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN Cc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1C#N ZINC000599304054 347733575 /nfs/dbraw/zinc/73/35/75/347733575.db2.gz PKBNOTVFAFTWGN-STQMWFEESA-N 0 3 260.406 3.193 20 30 CGEDHN Cc1ccc(CN2CCS[C@H](C)CC2)cc1C#N ZINC000599388604 347741215 /nfs/dbraw/zinc/74/12/15/347741215.db2.gz JSOCJMHWWZLNIP-CYBMUJFWSA-N 0 3 260.406 3.194 20 30 CGEDHN CSc1ccccc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599399020 347742377 /nfs/dbraw/zinc/74/23/77/347742377.db2.gz IUWAZSNLMSLJSR-CHWSQXEVSA-N 0 3 290.432 3.114 20 30 CGEDHN CSc1ccccc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599397411 347742453 /nfs/dbraw/zinc/74/24/53/347742453.db2.gz IUWAZSNLMSLJSR-QWHCGFSZSA-N 0 3 290.432 3.114 20 30 CGEDHN CSc1ccccc1[C@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599397412 347742524 /nfs/dbraw/zinc/74/25/24/347742524.db2.gz IUWAZSNLMSLJSR-STQMWFEESA-N 0 3 290.432 3.114 20 30 CGEDHN CCO[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599440363 347745550 /nfs/dbraw/zinc/74/55/50/347745550.db2.gz QLUVMNDFUJMGTH-CXAGYDPISA-N 0 3 272.392 3.366 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599513723 347749488 /nfs/dbraw/zinc/74/94/88/347749488.db2.gz SYRJIVXYRKULAI-RYUDHWBXSA-N 0 3 264.319 3.281 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)OC)cc2F)C1 ZINC000599526783 347750718 /nfs/dbraw/zinc/75/07/18/347750718.db2.gz SAQPSFAZRYUJSC-GFCCVEGCSA-N 0 3 277.339 3.010 20 30 CGEDHN N#CC1(C[C@H](O)CNCc2cccc(Cl)c2Cl)CC1 ZINC000600715847 347830181 /nfs/dbraw/zinc/83/01/81/347830181.db2.gz CAGGLRRVUHAIGD-NSHDSACASA-N 0 3 299.201 3.138 20 30 CGEDHN N#CCCNCC/C=C/c1ccc(Br)cc1 ZINC000600745379 347832090 /nfs/dbraw/zinc/83/20/90/347832090.db2.gz IKSXKILIJXHNEV-DAFODLJHSA-N 0 3 279.181 3.356 20 30 CGEDHN N#CCC[C@H](C#N)CNCC(C1CCC1)C1CCC1 ZINC000600601525 347812899 /nfs/dbraw/zinc/81/28/99/347812899.db2.gz FQHKHESYXSYNTM-CYBMUJFWSA-N 0 3 259.397 3.236 20 30 CGEDHN Cc1[nH]c2ccc(F)cc2c1CCNC[C@@H](C#N)CCC#N ZINC000600612744 347814194 /nfs/dbraw/zinc/81/41/94/347814194.db2.gz CDTYQSAIZDPRPR-CYBMUJFWSA-N 0 3 298.365 3.191 20 30 CGEDHN N#CC1(C[C@H](O)CNCc2cc(Cl)cc(Cl)c2)CC1 ZINC000600751180 347831960 /nfs/dbraw/zinc/83/19/60/347831960.db2.gz ZPQIAJLAHCOTDX-ZDUSSCGKSA-N 0 3 299.201 3.138 20 30 CGEDHN N#CCCC[C@@H](NCc1ccc(=O)[nH]c1)c1ccccc1 ZINC000601124772 347872294 /nfs/dbraw/zinc/87/22/94/347872294.db2.gz SMPWUHPZVHAPHE-MRXNPFEDSA-N 0 3 281.359 3.312 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)[C@H](C)O1 ZINC000601148832 347874917 /nfs/dbraw/zinc/87/49/17/347874917.db2.gz AYYSXDZVYXIYOH-DVOMOZLQSA-N 0 3 272.392 3.143 20 30 CGEDHN COc1ccc2c(c1)CC[C@H]2NCC(C)(C)CC#N ZINC000601281921 347888915 /nfs/dbraw/zinc/88/89/15/347888915.db2.gz XGUFKHUSDDKAJE-OAHLLOKOSA-N 0 3 258.365 3.212 20 30 CGEDHN CC(C)(C#N)CCCCN1CCO[C@@H](C(F)F)CC1 ZINC000601977781 347931448 /nfs/dbraw/zinc/93/14/48/347931448.db2.gz TZGJUYRYCBANLW-GFCCVEGCSA-N 0 3 274.355 3.062 20 30 CGEDHN C=C(CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602528229 347976656 /nfs/dbraw/zinc/97/66/56/347976656.db2.gz NXCMCGMPDXDCNB-INIZCTEOSA-N 0 3 284.403 3.388 20 30 CGEDHN C[C@@H](CNCc1cccc(C#N)n1)C1CCCCC1 ZINC000602531499 347976682 /nfs/dbraw/zinc/97/66/82/347976682.db2.gz WJJGPBQPKMUOLF-ZDUSSCGKSA-N 0 3 257.381 3.259 20 30 CGEDHN C=CCN(CCC[C@@H]1CCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000602452201 347959996 /nfs/dbraw/zinc/95/99/96/347959996.db2.gz HNURBBWBRYSXCZ-MRXNPFEDSA-N 0 3 290.363 3.152 20 30 CGEDHN CCS[C@H]1CCCCN(Cc2cccc(C#N)n2)C1 ZINC000602471754 347963859 /nfs/dbraw/zinc/96/38/59/347963859.db2.gz HSFSWRQECZHQDI-HNNXBMFYSA-N 0 3 275.421 3.061 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000602469236 347964291 /nfs/dbraw/zinc/96/42/91/347964291.db2.gz RRNKVHXSPFZWBF-IRXDYDNUSA-N 0 3 285.435 3.133 20 30 CGEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cccc(C#N)n1 ZINC000602477323 347965204 /nfs/dbraw/zinc/96/52/04/347965204.db2.gz JQBCCRAYLIWKEU-HIFRSBDPSA-N 0 3 295.361 3.470 20 30 CGEDHN Cc1ccc(OCCCCNCc2cccc(C#N)n2)cc1 ZINC000602516083 347974538 /nfs/dbraw/zinc/97/45/38/347974538.db2.gz GLIFVKQTBMWRNB-UHFFFAOYSA-N 0 3 295.386 3.211 20 30 CGEDHN Cc1ccccc1CC(C)(C)NCc1cccc(C#N)n1 ZINC000602565589 347983519 /nfs/dbraw/zinc/98/35/19/347983519.db2.gz PVMGXQLIMNTGFI-UHFFFAOYSA-N 0 3 279.387 3.373 20 30 CGEDHN COC[C@@H](NC[C@H](C)CCC#N)c1ccc(F)c(F)c1 ZINC000602580035 347987566 /nfs/dbraw/zinc/98/75/66/347987566.db2.gz CCKOGLBARWMUNB-IAQYHMDHSA-N 0 3 282.334 3.182 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000602613803 347994683 /nfs/dbraw/zinc/99/46/83/347994683.db2.gz WMBUPQBPZZMHTF-LBRJOISOSA-N 0 3 272.392 3.469 20 30 CGEDHN COc1cccc(Cl)c1CNC[C@H](C)CCC#N ZINC000602634446 347997814 /nfs/dbraw/zinc/99/78/14/347997814.db2.gz QFQBLMHTFFCGQB-LLVKDONJSA-N 0 3 266.772 3.378 20 30 CGEDHN C[C@@H](CCc1c[nH]c2ccccc12)NCC1(C#N)CC1 ZINC000602642033 347999097 /nfs/dbraw/zinc/99/90/97/347999097.db2.gz HDTBJYDSTWQIRU-ZDUSSCGKSA-N 0 3 267.376 3.382 20 30 CGEDHN N#CC1CCC(NCc2c(F)cc(F)c(F)c2F)CC1 ZINC000602640373 347999287 /nfs/dbraw/zinc/99/92/87/347999287.db2.gz PWMKNFGDDIAODW-UHFFFAOYSA-N 0 3 286.272 3.415 20 30 CGEDHN CC(C)C1(CN2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000602653290 348001470 /nfs/dbraw/zinc/00/14/70/348001470.db2.gz OIUICJNLYXLKGZ-UHFFFAOYSA-N 0 3 283.419 3.375 20 30 CGEDHN C[C@H](CCC#N)CN1CC[C@](F)(c2ccccc2)C1 ZINC000602659220 348002982 /nfs/dbraw/zinc/00/29/82/348002982.db2.gz PVZQYRMDFINYGT-GDBMZVCRSA-N 0 3 260.356 3.497 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](C)CCC#N ZINC000602660672 348003694 /nfs/dbraw/zinc/00/36/94/348003694.db2.gz IGOABSQWYSPCAV-AWEZNQCLSA-N 0 3 276.380 3.090 20 30 CGEDHN C[C@H](CCC#N)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000602669583 348005033 /nfs/dbraw/zinc/00/50/33/348005033.db2.gz KGWOFJMGKDVAEI-UKRRQHHQSA-N 0 3 257.381 3.404 20 30 CGEDHN CC(C)[C@H]1CN(Cc2cccc(C#N)n2)[C@H]1C(C)C ZINC000602683043 348008149 /nfs/dbraw/zinc/00/81/49/348008149.db2.gz OTCCKCHMFLNFRY-CVEARBPZSA-N 0 3 257.381 3.066 20 30 CGEDHN CCC[C@@H](CNC(C)(C)c1cccc(C#N)c1)OC ZINC000602705244 348013465 /nfs/dbraw/zinc/01/34/65/348013465.db2.gz DWHFMPGRHMHTJY-HNNXBMFYSA-N 0 3 260.381 3.198 20 30 CGEDHN C=CCCC1(CNCc2cc(C(=O)OC)no2)CCCC1 ZINC000602710074 348015158 /nfs/dbraw/zinc/01/51/58/348015158.db2.gz XDTIMHAYBRSBNA-UHFFFAOYSA-N 0 3 292.379 3.077 20 30 CGEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CCc2ccccc21 ZINC000602712620 348015790 /nfs/dbraw/zinc/01/57/90/348015790.db2.gz YZTJTVDRMGWWQW-WMLDXEAASA-N 0 3 284.403 3.362 20 30 CGEDHN N#CC1(CNCC2CCSCC2)CCCCC1 ZINC000602717004 348016526 /nfs/dbraw/zinc/01/65/26/348016526.db2.gz LJGVMLOZAVBHKJ-UHFFFAOYSA-N 0 3 252.427 3.193 20 30 CGEDHN CC[C@](C)(NC[C@@H](C)CCC#N)c1nccs1 ZINC000602551339 347980824 /nfs/dbraw/zinc/98/08/24/347980824.db2.gz CHUREPPVUDGYFX-AAEUAGOBSA-N 0 3 251.399 3.298 20 30 CGEDHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CC1(CC#N)CC1 ZINC000602841530 348035696 /nfs/dbraw/zinc/03/56/96/348035696.db2.gz OJBXOVZYQHRQTP-QWRGUYRKSA-N 0 3 260.303 3.343 20 30 CGEDHN N#CCC1(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)CC1 ZINC000602849611 348036336 /nfs/dbraw/zinc/03/63/36/348036336.db2.gz KAOHRRRVUHRHEP-KRWDZBQOSA-N 0 3 296.414 3.340 20 30 CGEDHN CCC[C@H](C)CCCN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602849716 348036394 /nfs/dbraw/zinc/03/63/94/348036394.db2.gz MUSUSVDMSZIGCL-ARFHVFGLSA-N 0 3 265.445 3.121 20 30 CGEDHN N#CCC1(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000602852835 348036474 /nfs/dbraw/zinc/03/64/74/348036474.db2.gz RPWBZZLTXZKDGY-MSOLQXFVSA-N 0 3 298.430 3.138 20 30 CGEDHN Cc1ncsc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906998 348042797 /nfs/dbraw/zinc/04/27/97/348042797.db2.gz KMVQCBOUGVPIAT-UHFFFAOYSA-N 0 3 298.415 3.098 20 30 CGEDHN CSC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000602919147 348043582 /nfs/dbraw/zinc/04/35/82/348043582.db2.gz HEGNEKCBBGOAGS-GFCCVEGCSA-N 0 3 260.406 3.447 20 30 CGEDHN CN(CC1CCC(F)(F)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602981290 348051318 /nfs/dbraw/zinc/05/13/18/348051318.db2.gz AXKITHUWDGVQTC-OLZOCXBDSA-N 0 3 256.340 3.436 20 30 CGEDHN CCn1cc(CNCC2(CC#N)CC2)c(-c2ccccc2)n1 ZINC000603436383 348083539 /nfs/dbraw/zinc/08/35/39/348083539.db2.gz XZXLNDTYPBJGGT-UHFFFAOYSA-N 0 3 294.402 3.353 20 30 CGEDHN N#Cc1cccc(CNCc2ccc3cccnc3c2)c1 ZINC000608982229 348334934 /nfs/dbraw/zinc/33/49/34/348334934.db2.gz DZXAMGIDOYDEQH-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN N#CCCCCN1CCCO[C@@H](c2ccccc2)C1 ZINC000609233738 348340423 /nfs/dbraw/zinc/34/04/23/348340423.db2.gz IEUJKKNQGDHGAN-MRXNPFEDSA-N 0 3 258.365 3.144 20 30 CGEDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1ccnc(C#N)c1 ZINC000610993711 348416231 /nfs/dbraw/zinc/41/62/31/348416231.db2.gz DCYRHAIXATZSDE-QAPCUYQASA-N 0 3 291.398 3.406 20 30 CGEDHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccnc(C#N)c1 ZINC000610994683 348416257 /nfs/dbraw/zinc/41/62/57/348416257.db2.gz MXYRGNGNXLRMMC-KBXCAEBGSA-N 0 3 277.371 3.331 20 30 CGEDHN CCC[C@H](C)[C@@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994539 348416462 /nfs/dbraw/zinc/41/64/62/348416462.db2.gz SYIPQSCAQHXVDC-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN CN(CCCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000610681239 348396151 /nfs/dbraw/zinc/39/61/51/348396151.db2.gz MACMWQSCJZKHMU-UHFFFAOYSA-N 0 3 260.381 3.195 20 30 CGEDHN Cc1ccncc1[C@@H](C)NCc1ccc(C#N)cc1 ZINC000611293099 348435871 /nfs/dbraw/zinc/43/58/71/348435871.db2.gz FPBVISPYAWIMNI-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(COCC)c1)C1CC1 ZINC000273361621 192127467 /nfs/dbraw/zinc/12/74/67/192127467.db2.gz CSYPBQGWAFPLCI-UHFFFAOYSA-N 0 3 275.392 3.382 20 30 CGEDHN CCC#C[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000611403432 348447080 /nfs/dbraw/zinc/44/70/80/348447080.db2.gz LLVWMPKFFPWPHQ-SWLSCSKDSA-N 0 3 260.337 3.437 20 30 CGEDHN Cc1c(Cl)cnc(N[C@H]2CN(C(C)C)C[C@@H]2C)c1C#N ZINC000612085563 348492515 /nfs/dbraw/zinc/49/25/15/348492515.db2.gz XJQAESHFOIWPHK-HZMBPMFUSA-N 0 3 292.814 3.056 20 30 CGEDHN CO[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1C ZINC000615236135 348725983 /nfs/dbraw/zinc/72/59/83/348725983.db2.gz ZYKKNKDTFDUVMX-RHSMWYFYSA-N 0 3 286.419 3.345 20 30 CGEDHN C[C@H](C[C@H]1CCCO1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358558738 233154716 /nfs/dbraw/zinc/15/47/16/233154716.db2.gz DBANUXVAHCGKQL-YRGRVCCFSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(CO)c1 ZINC000618802539 349156314 /nfs/dbraw/zinc/15/63/14/349156314.db2.gz FIPNYILXWLVJEN-DJJJIMSYSA-N 0 3 292.382 3.389 20 30 CGEDHN C[C@H](NCC1(C(F)F)CC1)c1ccc(C#N)cc1F ZINC000359000690 233236467 /nfs/dbraw/zinc/23/64/67/233236467.db2.gz KJWJPVONEWJVBG-VIFPVBQESA-N 0 3 268.282 3.393 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](OCC)C1CC1 ZINC000625306060 350155952 /nfs/dbraw/zinc/15/59/52/350155952.db2.gz SQUCYIDZYIXLJR-MRXNPFEDSA-N 0 3 263.381 3.125 20 30 CGEDHN C=CC[C@@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000625701658 350199324 /nfs/dbraw/zinc/19/93/24/350199324.db2.gz LHYUCNFNPMNUFK-SNVBAGLBSA-N 0 3 287.272 3.099 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cn3cccc(C)c3n2)C1 ZINC000625702818 350199584 /nfs/dbraw/zinc/19/95/84/350199584.db2.gz JDINVDKHRLVRSH-CQSZACIVSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CCCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801693 350215657 /nfs/dbraw/zinc/21/56/57/350215657.db2.gz WXYCKKWOMLXPPL-GOSISDBHSA-N 0 3 285.387 3.453 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC#Cc1ccccc1Cl ZINC000625976185 350238737 /nfs/dbraw/zinc/23/87/37/350238737.db2.gz SPTVGHAJRWBXRZ-IATRGZMQSA-N 0 3 277.795 3.093 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007323 350246543 /nfs/dbraw/zinc/24/65/43/350246543.db2.gz BJUUHXKWPJMFKM-CQSZACIVSA-N 0 3 285.309 3.001 20 30 CGEDHN C=CC(C)(C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC000628316253 350497904 /nfs/dbraw/zinc/49/79/04/350497904.db2.gz ORKOSRYRDAJRII-UHFFFAOYSA-N 0 3 274.408 3.080 20 30 CGEDHN C=CC[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000628486892 350555763 /nfs/dbraw/zinc/55/57/63/350555763.db2.gz SJDSEAZXIUCXTR-MRXNPFEDSA-N 0 3 298.430 3.321 20 30 CGEDHN C=CCCC(C)(C)CNCc1c(Cl)cnn1C ZINC000631219944 350994485 /nfs/dbraw/zinc/99/44/85/350994485.db2.gz NQXGDSJAEXUATK-UHFFFAOYSA-N 0 3 255.793 3.156 20 30 CGEDHN C=CCN1CCC(Nc2cncc(SCCC)n2)CC1 ZINC000631109147 350956442 /nfs/dbraw/zinc/95/64/42/350956442.db2.gz LRQXRZFPVXYFAC-UHFFFAOYSA-N 0 3 292.452 3.041 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 ZINC000291654778 198052077 /nfs/dbraw/zinc/05/20/77/198052077.db2.gz DGPHIMWHTGDMMS-PXAZEXFGSA-N 0 3 298.411 3.412 20 30 CGEDHN CC(C(=O)Nc1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000335737181 212468966 /nfs/dbraw/zinc/46/89/66/212468966.db2.gz CBWSQPSZZZDVEV-ZCFIWIBFSA-N 0 3 276.645 3.349 20 30 CGEDHN C[C@@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)cc1 ZINC000154186312 188128850 /nfs/dbraw/zinc/12/88/50/188128850.db2.gz YBNSHWYELBLZMY-CQSZACIVSA-N 0 3 279.387 3.475 20 30 CGEDHN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000156638671 188273539 /nfs/dbraw/zinc/27/35/39/188273539.db2.gz CHWCQJHDWLYOHT-CCKFTAQKSA-N 0 3 292.382 3.285 20 30 CGEDHN CC[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000271698368 191282563 /nfs/dbraw/zinc/28/25/63/191282563.db2.gz SESONANCKFILJN-AWEZNQCLSA-N 0 3 299.399 3.299 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000412205209 235138220 /nfs/dbraw/zinc/13/82/20/235138220.db2.gz YBTCQXUFSLUABP-BZPMIXESSA-N 0 3 285.391 3.067 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(F)cc1Cl ZINC000271862037 191374184 /nfs/dbraw/zinc/37/41/84/191374184.db2.gz ZNNPLTCYJPEKEI-PWSUYJOCSA-N 0 3 271.763 3.457 20 30 CGEDHN C[C@H](NC[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(C#N)cc1F ZINC000414265804 235376167 /nfs/dbraw/zinc/37/61/67/235376167.db2.gz RNYGCZHUAFAYHU-OWTLIXCDSA-N 0 3 276.355 3.161 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC(F)(F)C2)cc1 ZINC000334377212 283146979 /nfs/dbraw/zinc/14/69/79/283146979.db2.gz WISBHKTVTKFAQM-CYBMUJFWSA-N 0 3 250.292 3.226 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1COc3ccccc3C1)CC2 ZINC000353280072 283199231 /nfs/dbraw/zinc/19/92/31/283199231.db2.gz ZPXPSVLDKCQPFB-FUHWJXTLSA-N 0 3 290.366 3.139 20 30 CGEDHN CCOc1ccc(CNCc2ccc(C#N)cc2)cc1F ZINC000106244218 138354131 /nfs/dbraw/zinc/35/41/31/138354131.db2.gz ZULJYINCXYZMFC-UHFFFAOYSA-N 0 3 284.334 3.386 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000336275692 213114794 /nfs/dbraw/zinc/11/47/94/213114794.db2.gz AGNJJXSRNPJCPA-LSDHHAIUSA-N 0 3 292.329 3.044 20 30 CGEDHN CC[C@@H](CNCc1ccc(C#N)o1)Oc1ccccc1F ZINC000176990233 189019485 /nfs/dbraw/zinc/01/94/85/189019485.db2.gz LGPROIKXFYHWPI-LBPRGKRZSA-N 0 3 288.322 3.238 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000177908462 189078245 /nfs/dbraw/zinc/07/82/45/189078245.db2.gz HDVRKCHKESUTEC-LLVKDONJSA-N 0 3 298.352 3.405 20 30 CGEDHN N#Cc1ccc(CN2CCCCC[C@@H]2CCO)c(Cl)c1 ZINC000342041157 216196518 /nfs/dbraw/zinc/19/65/18/216196518.db2.gz BPEXGIGVHORCFU-OAHLLOKOSA-N 0 3 292.810 3.339 20 30 CGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C)c1cccc(C#N)c1 ZINC000181768018 189305985 /nfs/dbraw/zinc/30/59/85/189305985.db2.gz GELNEJOLPJUYJK-IUODEOHRSA-N 0 3 260.381 3.006 20 30 CGEDHN CCN1CCCC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000301853176 201234213 /nfs/dbraw/zinc/23/42/13/201234213.db2.gz BERCNLXGNVLDDG-MRXNPFEDSA-N 0 3 298.434 3.118 20 30 CGEDHN C[C@H]1CCC(C)(C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000452000389 240393762 /nfs/dbraw/zinc/39/37/62/240393762.db2.gz BQAFWAILOFBLDW-LBPRGKRZSA-N 0 3 296.374 3.371 20 30 CGEDHN COc1ccc(CN2[C@@H](C)CCC2(C)C)cc1C#N ZINC000452014906 240395737 /nfs/dbraw/zinc/39/57/37/240395737.db2.gz USPMRJIQBWGGFV-LBPRGKRZSA-N 0 3 258.365 3.330 20 30 CGEDHN C=CCCOCCNCc1cccc(OC(C)C)c1 ZINC000120811633 370803432 /nfs/dbraw/zinc/80/34/32/370803432.db2.gz USVYNCLBNLZCIC-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@H](NCC(C)(C)C(C)(C)O)c1ccc(C#N)cc1F ZINC000453383444 240896735 /nfs/dbraw/zinc/89/67/35/240896735.db2.gz YTYGFQHPELMBQP-NSHDSACASA-N 0 3 278.371 3.145 20 30 CGEDHN C=CCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000121223605 370841403 /nfs/dbraw/zinc/84/14/03/370841403.db2.gz OJXIXCYMOPKCHF-ZDUSSCGKSA-N 0 3 285.391 3.100 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000459776666 242228223 /nfs/dbraw/zinc/22/82/23/242228223.db2.gz KVVFPRLWMMHQHI-ZLDLUXBVSA-N 0 3 260.768 3.490 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459794178 242237805 /nfs/dbraw/zinc/23/78/05/242237805.db2.gz MKJNIJQBOFOZJG-ZOCIIQOWSA-N 0 3 298.430 3.492 20 30 CGEDHN C=CCCCN[C@H](CO)c1cccc(Cl)c1F ZINC000337285289 376192214 /nfs/dbraw/zinc/19/22/14/376192214.db2.gz ZSJACHIPDVJGBL-GFCCVEGCSA-N 0 3 257.736 3.068 20 30 CGEDHN C=CCN(C)Cc1cccc(OCC(F)(F)F)c1 ZINC000121542353 370871146 /nfs/dbraw/zinc/87/11/46/370871146.db2.gz QUCBHSDFGAOVBM-UHFFFAOYSA-N 0 3 259.271 3.246 20 30 CGEDHN CN(CC(=O)Nc1cccc(C#N)c1)C1CCCCCC1 ZINC000014705058 368683748 /nfs/dbraw/zinc/68/37/48/368683748.db2.gz KELJNUZRVNDERO-UHFFFAOYSA-N 0 3 285.391 3.151 20 30 CGEDHN C=CCN(CCCn1ccnc1C)Cc1ccccc1 ZINC000124883947 370929541 /nfs/dbraw/zinc/92/95/41/370929541.db2.gz RKHZQVKJNZEPKA-UHFFFAOYSA-N 0 3 269.392 3.270 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000124054907 370918507 /nfs/dbraw/zinc/91/85/07/370918507.db2.gz YLTMIYSSMAMCHW-CQSZACIVSA-N 0 3 266.429 3.064 20 30 CGEDHN CC1CCC(N(C)CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000042294625 369210764 /nfs/dbraw/zinc/21/07/64/369210764.db2.gz KWTOHGBVSNGJLH-UHFFFAOYSA-N 0 3 285.391 3.007 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000044812974 369270066 /nfs/dbraw/zinc/27/00/66/369270066.db2.gz ZLMVOGDKBDHHGR-YUMQZZPRSA-N 0 3 271.147 3.330 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1C=CCC1)C(C)C ZINC000046049254 369288533 /nfs/dbraw/zinc/28/85/33/369288533.db2.gz ATRBDQLEJBIETH-IAGOWNOFSA-N 0 3 290.451 3.158 20 30 CGEDHN CCN1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000048936001 369374297 /nfs/dbraw/zinc/37/42/97/369374297.db2.gz LTGHXCQDTIMLLA-UHFFFAOYSA-N 0 3 263.772 3.108 20 30 CGEDHN CN(CCc1ccccc1)Cc1ccc(C#N)cc1F ZINC000051998783 369461161 /nfs/dbraw/zinc/46/11/61/369461161.db2.gz GNWLXJFKRRVZFJ-UHFFFAOYSA-N 0 3 268.335 3.372 20 30 CGEDHN CSCC[C@H](C)N(C)Cc1ccc(C#N)s1 ZINC000129021702 370971073 /nfs/dbraw/zinc/97/10/73/370971073.db2.gz QIYVKVURDLYFMC-JTQLQIEISA-N 0 3 254.424 3.193 20 30 CGEDHN C=CCC[C@H](NC[C@H](C)C[C@H](C)O)c1ccco1 ZINC000276511577 193363136 /nfs/dbraw/zinc/36/31/36/193363136.db2.gz ZLHAHCKPTGWNMS-RDBSUJKOSA-N 0 3 251.370 3.284 20 30 CGEDHN N#Cc1ccnc(N2CCN(CCC3CCCCC3)CC2)c1 ZINC000072559239 369825743 /nfs/dbraw/zinc/82/57/43/369825743.db2.gz OSEWIQVXRITQNW-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000076736120 369940966 /nfs/dbraw/zinc/94/09/66/369940966.db2.gz SUMBTBHRCRNYBU-CQSZACIVSA-N 0 3 290.407 3.310 20 30 CGEDHN COC[C@@H](N[C@@H](CCC#N)c1ccccc1)C(C)C ZINC000090665657 370063876 /nfs/dbraw/zinc/06/38/76/370063876.db2.gz MONRGTNFJSBOON-JKSUJKDBSA-N 0 3 260.381 3.292 20 30 CGEDHN CC(C)(C)CCN1CCN(CC(C)(C)CCC#N)CC1 ZINC000092219470 370095147 /nfs/dbraw/zinc/09/51/47/370095147.db2.gz SXWTWRZKEBUNJL-UHFFFAOYSA-N 0 3 279.472 3.370 20 30 CGEDHN C=CCCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000102342486 370302949 /nfs/dbraw/zinc/30/29/49/370302949.db2.gz MKQKQSSQPSTZPK-UHFFFAOYSA-N 0 3 294.826 3.196 20 30 CGEDHN Cc1nc(C)c([C@@H](C)N(C)CCCCC#N)s1 ZINC000106878869 370354136 /nfs/dbraw/zinc/35/41/36/370354136.db2.gz IILUWHUYAOEETL-LLVKDONJSA-N 0 3 251.399 3.447 20 30 CGEDHN C[C@@H](c1cccs1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000219961685 376205968 /nfs/dbraw/zinc/20/59/68/376205968.db2.gz LBUMSCOSIUMFRE-SWLSCSKDSA-N 0 3 286.400 3.346 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCOC3(CCCCC3)C2)o1 ZINC000136748332 371483262 /nfs/dbraw/zinc/48/32/62/371483262.db2.gz KDZRDNLIGXBZLS-ZDUSSCGKSA-N 0 3 274.364 3.123 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000151385974 371597003 /nfs/dbraw/zinc/59/70/03/371597003.db2.gz GICQSEBGNGKQOS-ASSNKEHSSA-N 0 3 298.411 3.146 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288112908 371732089 /nfs/dbraw/zinc/73/20/89/371732089.db2.gz HONGQCJDMAGGAM-NVXWUHKLSA-N 0 3 286.419 3.122 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)s1 ZINC000421879762 371694929 /nfs/dbraw/zinc/69/49/29/371694929.db2.gz NLGGZFXNBCQMAA-BLLLJJGKSA-N 0 3 286.400 3.486 20 30 CGEDHN CC(C)C[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000153448907 371770711 /nfs/dbraw/zinc/77/07/11/371770711.db2.gz MJROCNGSVFUDRN-OAHLLOKOSA-N 0 3 282.391 3.216 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(F)cc2)sc1C ZINC000155654467 371937927 /nfs/dbraw/zinc/93/79/27/371937927.db2.gz MJHORFMPILVFSR-GFCCVEGCSA-N 0 3 289.335 3.145 20 30 CGEDHN CCN(CCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 ZINC000157540004 372027501 /nfs/dbraw/zinc/02/75/01/372027501.db2.gz MAJZJZXOPKQXDK-UHFFFAOYSA-N 0 3 274.364 3.177 20 30 CGEDHN C#Cc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000290934827 372078253 /nfs/dbraw/zinc/07/82/53/372078253.db2.gz PFXGBGIRJYJTGI-ZWKOTPCHSA-N 0 3 281.399 3.201 20 30 CGEDHN CN(Cc1ccccc1)CC(C)(C)NCc1ccc(C#N)o1 ZINC000159380577 372138407 /nfs/dbraw/zinc/13/84/07/372138407.db2.gz DEDFUTJHFRLBTP-UHFFFAOYSA-N 0 3 297.402 3.151 20 30 CGEDHN COc1ccccc1CC(C)(C)NCc1ccc(C#N)o1 ZINC000344218931 217106048 /nfs/dbraw/zinc/10/60/48/217106048.db2.gz UCJRLJIGZVTDGY-UHFFFAOYSA-N 0 3 284.359 3.271 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H]2CC2(C)C)cc1OC ZINC000426578188 372165408 /nfs/dbraw/zinc/16/54/08/372165408.db2.gz HDEXNXIXOLMPCI-MRXNPFEDSA-N 0 3 275.392 3.490 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426765337 372171207 /nfs/dbraw/zinc/17/12/07/372171207.db2.gz MRNYPDMKSLPGJV-CQSZACIVSA-N 0 3 288.439 3.154 20 30 CGEDHN Cc1cc(CNC(=O)C(C)C#N)ccc1-c1ccccc1 ZINC000428564979 372234222 /nfs/dbraw/zinc/23/42/22/372234222.db2.gz GLZXLZVMEOAWOM-CQSZACIVSA-N 0 3 278.355 3.438 20 30 CGEDHN C=C(CC)CN[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000429141539 372318625 /nfs/dbraw/zinc/31/86/25/372318625.db2.gz KLPZWVFPRALAJG-FZMZJTMJSA-N 0 3 251.395 3.306 20 30 CGEDHN C=CCCC[C@H](C)N(C)Cc1cn2c(n1)CCCC2 ZINC000429538665 372373784 /nfs/dbraw/zinc/37/37/84/372373784.db2.gz IKVOAKUTTKYNNJ-AWEZNQCLSA-N 0 3 261.413 3.396 20 30 CGEDHN N#CC(C(=O)c1cnc2c(F)cccc2c1)c1ccccn1 ZINC000429686908 372375524 /nfs/dbraw/zinc/37/55/24/372375524.db2.gz QAQDTDCXSYZNFT-ZDUSSCGKSA-N 0 3 291.285 3.259 20 30 CGEDHN CCOc1ccccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430754417 372395751 /nfs/dbraw/zinc/39/57/51/372395751.db2.gz NLXDOSXWRSNIAL-CYBMUJFWSA-N 0 3 258.365 3.430 20 30 CGEDHN CCc1ccccc1NC(=O)C[C@H](C)NCC1(CC#N)CC1 ZINC000430758168 372396697 /nfs/dbraw/zinc/39/66/97/372396697.db2.gz ZPTKRRXOLRYFHF-AWEZNQCLSA-N 0 3 299.418 3.250 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2n2cccn2)c(F)c1 ZINC000162710838 372412508 /nfs/dbraw/zinc/41/25/08/372412508.db2.gz UXIBRVQRMWKASA-IAGOWNOFSA-N 0 3 298.365 3.167 20 30 CGEDHN C=CCOCCN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000293768405 372475640 /nfs/dbraw/zinc/47/56/40/372475640.db2.gz KRDRPBIEZWAHBB-HNNXBMFYSA-N 0 3 299.418 3.253 20 30 CGEDHN N#Cc1ccc(CNCCc2cccc(F)c2F)s1 ZINC000344373157 217174499 /nfs/dbraw/zinc/17/44/99/217174499.db2.gz JRLJGCUOIMRFIE-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1cccs1 ZINC000433107405 372581317 /nfs/dbraw/zinc/58/13/17/372581317.db2.gz YSGHDLIFLYYRBV-HNNXBMFYSA-N 0 3 298.411 3.179 20 30 CGEDHN C[C@@H]1C[C@@H](C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433118867 372582341 /nfs/dbraw/zinc/58/23/41/372582341.db2.gz ZRYMNQPARARGPJ-BFYDXBDKSA-N 0 3 284.403 3.263 20 30 CGEDHN Cc1occc1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433304507 372587648 /nfs/dbraw/zinc/58/76/48/372587648.db2.gz KWSNJBQXUOMAJJ-INIZCTEOSA-N 0 3 296.370 3.319 20 30 CGEDHN CCC(C)(CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000433355291 372598305 /nfs/dbraw/zinc/59/83/05/372598305.db2.gz PDWBPVLQVHOVEG-HNNXBMFYSA-N 0 3 272.392 3.454 20 30 CGEDHN N#Cc1ccccc1CN1CCC2(CCC(O)CC2)CC1 ZINC000295188130 372698527 /nfs/dbraw/zinc/69/85/27/372698527.db2.gz WXXDDQQLXZOBOS-UHFFFAOYSA-N 0 3 284.403 3.075 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCSC(C)(C)CC1 ZINC000434667464 372700445 /nfs/dbraw/zinc/70/04/45/372700445.db2.gz XEJDYCINWISEFZ-AWEZNQCLSA-N 0 3 298.496 3.017 20 30 CGEDHN CCCCCN(CC#Cc1cccc(Cl)c1)CCO ZINC000437143784 372845249 /nfs/dbraw/zinc/84/52/49/372845249.db2.gz SFOIWOHNASPGBM-UHFFFAOYSA-N 0 3 279.811 3.176 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437317016 372847463 /nfs/dbraw/zinc/84/74/63/372847463.db2.gz RBQRKJPAQUPAEJ-QOSJWCAFSA-N 0 3 283.158 3.125 20 30 CGEDHN CO[C@@H](C)CN(CC#Cc1cccc(Cl)c1)C(C)C ZINC000438068321 372868461 /nfs/dbraw/zinc/86/84/61/372868461.db2.gz RKONGYZRPXMZRT-AWEZNQCLSA-N 0 3 279.811 3.437 20 30 CGEDHN C=CCCN(C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000295866898 372941405 /nfs/dbraw/zinc/94/14/05/372941405.db2.gz CKFGPGBHYLQYKZ-UHFFFAOYSA-N 0 3 267.756 3.135 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000439448036 372976528 /nfs/dbraw/zinc/97/65/28/372976528.db2.gz ZGNGBVUNSQOKKG-DZGCQCFKSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000439448036 372976535 /nfs/dbraw/zinc/97/65/35/372976535.db2.gz ZGNGBVUNSQOKKG-DZGCQCFKSA-N 0 3 270.380 3.229 20 30 CGEDHN Cc1ccn(C)c1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000439670118 372980401 /nfs/dbraw/zinc/98/04/01/372980401.db2.gz FGXMTWUKRICIEV-LLVKDONJSA-N 0 3 295.367 3.433 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2ccc(Cl)cc2)[C@H]2CCO[C@@H]21 ZINC000296071071 373012199 /nfs/dbraw/zinc/01/21/99/373012199.db2.gz GOKFGWNJLUPQNV-OAGGEKHMSA-N 0 3 289.806 3.095 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000442784802 373081983 /nfs/dbraw/zinc/08/19/83/373081983.db2.gz PWSBEYUZYCUTGG-WCQYABFASA-N 0 3 298.308 3.366 20 30 CGEDHN Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(OCCN(C)C)c1 ZINC000442864015 373109860 /nfs/dbraw/zinc/10/98/60/373109860.db2.gz YGKXVRJFPIQWLO-LSDHHAIUSA-N 0 3 287.407 3.040 20 30 CGEDHN Cc1ccc(C[C@@H](C)NCc2ccc(C#N)o2)c(C)c1 ZINC000174372502 373301906 /nfs/dbraw/zinc/30/19/06/373301906.db2.gz JWSZMULWZRWITO-CQSZACIVSA-N 0 3 268.360 3.489 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000174378405 373303375 /nfs/dbraw/zinc/30/33/75/373303375.db2.gz ZFMLHOFHNPZFHT-XJKSGUPXSA-N 0 3 252.317 3.045 20 30 CGEDHN CCC1(CC)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000353609379 220188157 /nfs/dbraw/zinc/18/81/57/220188157.db2.gz NKMRZVIXLZCSDK-UHFFFAOYSA-N 0 3 282.391 3.218 20 30 CGEDHN C=CC[C@H]1N(Cc2cnc(N(C)C)nc2)CCCC1(C)C ZINC000446856059 373371925 /nfs/dbraw/zinc/37/19/25/373371925.db2.gz LSJKZPUOCDRLSP-OAHLLOKOSA-N 0 3 288.439 3.109 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)o2)C12CCCCC2 ZINC000175847788 373526752 /nfs/dbraw/zinc/52/67/52/373526752.db2.gz URQCLPMYAJSEDX-JKSUJKDBSA-N 0 3 288.391 3.369 20 30 CGEDHN CCS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000175870215 373531701 /nfs/dbraw/zinc/53/17/01/373531701.db2.gz WQYDRIJJEKMSMW-ZIAGYGMSSA-N 0 3 264.394 3.305 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1ncccc1N(C)C ZINC000449338486 373680908 /nfs/dbraw/zinc/68/09/08/373680908.db2.gz SBNBFIKPURQECI-CQSZACIVSA-N 0 3 261.413 3.372 20 30 CGEDHN C=C(C)CCNCc1ccc(OC)cc1OC(F)F ZINC000449479550 373767870 /nfs/dbraw/zinc/76/78/70/373767870.db2.gz VIZCQLAJZXREHX-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN Cc1oc(NC(=O)CN(CC(C)C)C(C)C)c(C#N)c1C ZINC000178711850 373805729 /nfs/dbraw/zinc/80/57/29/373805729.db2.gz GIIDDGNMTMVXBN-UHFFFAOYSA-N 0 3 291.395 3.073 20 30 CGEDHN C=CC(C)(C)CNCc1nccn1-c1ccccc1 ZINC000449487295 373777656 /nfs/dbraw/zinc/77/76/56/373777656.db2.gz XQTWJMFWXPVHEN-UHFFFAOYSA-N 0 3 255.365 3.174 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OCC)[C@H](C)C2)cc1 ZINC000449492355 373783918 /nfs/dbraw/zinc/78/39/18/373783918.db2.gz JBRDVCDHQJNQAJ-CRAIPNDOSA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OCC)[C@@H](C)C2)cc1 ZINC000449492358 373784730 /nfs/dbraw/zinc/78/47/30/373784730.db2.gz JBRDVCDHQJNQAJ-YJBOKZPZSA-N 0 3 289.419 3.498 20 30 CGEDHN C=CC1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179613406 373896786 /nfs/dbraw/zinc/89/67/86/373896786.db2.gz YPTKCRLPSBIXQZ-UHFFFAOYSA-N 0 3 267.376 3.475 20 30 CGEDHN C=CC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179613406 373896789 /nfs/dbraw/zinc/89/67/89/373896789.db2.gz YPTKCRLPSBIXQZ-UHFFFAOYSA-N 0 3 267.376 3.475 20 30 CGEDHN C=C(CC)CNCc1cnc(-c2ccncc2)s1 ZINC000449733033 373858146 /nfs/dbraw/zinc/85/81/46/373858146.db2.gz NQHYWQAQOGHXSQ-UHFFFAOYSA-N 0 3 259.378 3.261 20 30 CGEDHN C=C(C)CN[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000180033199 373956747 /nfs/dbraw/zinc/95/67/47/373956747.db2.gz KOVUINAMOGBDDZ-SMDDNHRTSA-N 0 3 274.364 3.023 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000179775044 373914795 /nfs/dbraw/zinc/91/47/95/373914795.db2.gz QWTJVNYEMHUYNO-CABCVRRESA-N 0 3 266.429 3.112 20 30 CGEDHN C#CCSCCN[C@H](C)c1ccc2ccccc2n1 ZINC000181095548 374077755 /nfs/dbraw/zinc/07/77/55/374077755.db2.gz XWJFZVCGSIMEBS-CYBMUJFWSA-N 0 3 270.401 3.252 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H]([C@H](C)O)C2)cc1Cl ZINC000180864574 374054764 /nfs/dbraw/zinc/05/47/64/374054764.db2.gz LVXXLOKFLQDVPM-GXTWGEPZSA-N 0 3 295.810 3.108 20 30 CGEDHN CCC(C)(C)OCCN[C@H](C)c1ccc(C#N)cc1 ZINC000308741979 374177768 /nfs/dbraw/zinc/17/77/68/374177768.db2.gz PGFQOJYFDJHKBU-CYBMUJFWSA-N 0 3 260.381 3.414 20 30 CGEDHN C[C@@H](NCCOc1cccc(F)c1)c1cccc(C#N)c1 ZINC000181982259 374201052 /nfs/dbraw/zinc/20/10/52/374201052.db2.gz ZJVNPDAAMYBXDT-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000451604790 374205717 /nfs/dbraw/zinc/20/57/17/374205717.db2.gz INZLILIYBRXQDD-FZZIBODNSA-N 0 3 269.747 3.473 20 30 CGEDHN CC[C@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000182314417 374257005 /nfs/dbraw/zinc/25/70/05/374257005.db2.gz ONDPZGVQHIRQIX-HOTGVXAUSA-N 0 3 277.795 3.239 20 30 CGEDHN C[C@H](CNC(=O)c1coc(C2CCCC2)n1)N(C)C1CC1 ZINC000328765365 374380285 /nfs/dbraw/zinc/38/02/85/374380285.db2.gz PDHDCNHONLTVRF-LLVKDONJSA-N 0 3 291.395 3.120 20 30 CGEDHN Cc1cnc([C@H](C)CNCc2cc(C#N)cs2)s1 ZINC000184344349 374515533 /nfs/dbraw/zinc/51/55/33/374515533.db2.gz BNXMLWRNOSWZOQ-SECBINFHSA-N 0 3 277.418 3.278 20 30 CGEDHN Cc1cc(C)c(NC(=O)CN[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000185880982 374759710 /nfs/dbraw/zinc/75/97/10/374759710.db2.gz UMBDZJINVSFOAB-HZPDHXFCSA-N 0 3 299.418 3.222 20 30 CGEDHN Cc1cc(C)c(NC(=O)CN[C@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000185880964 374759920 /nfs/dbraw/zinc/75/99/20/374759920.db2.gz UMBDZJINVSFOAB-HOTGVXAUSA-N 0 3 299.418 3.222 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(SC)c(F)c1 ZINC000186698665 374899932 /nfs/dbraw/zinc/89/99/32/374899932.db2.gz AVMJOGUEXPHLGW-ZYHUDNBSSA-N 0 3 269.385 3.135 20 30 CGEDHN C=CCC[C@H](O)CN(CC)Cc1cccc(Cl)c1 ZINC000472744793 375031599 /nfs/dbraw/zinc/03/15/99/375031599.db2.gz DEROVKNVWNFEOR-HNNXBMFYSA-N 0 3 267.800 3.489 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H]1CC[C@H](C)O1 ZINC000475048492 375130265 /nfs/dbraw/zinc/13/02/65/375130265.db2.gz PJEPSEWHPSEOHV-RDJZCZTQSA-N 0 3 259.393 3.285 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@H]1CC[C@@H](C)O1 ZINC000475048491 375130288 /nfs/dbraw/zinc/13/02/88/375130288.db2.gz PJEPSEWHPSEOHV-NVXWUHKLSA-N 0 3 259.393 3.285 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@@H](C)NC(C)(C)CC)c1 ZINC000475621297 375134859 /nfs/dbraw/zinc/13/48/59/375134859.db2.gz OOMZMOCUMYBCCL-CYBMUJFWSA-N 0 3 290.407 3.357 20 30 CGEDHN CC#CCN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000481304071 375163683 /nfs/dbraw/zinc/16/36/83/375163683.db2.gz CKYNRSXKPYIGBF-MRXNPFEDSA-N 0 3 256.393 3.440 20 30 CGEDHN CC#CCN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481304069 375163817 /nfs/dbraw/zinc/16/38/17/375163817.db2.gz CKYNRSXKPYIGBF-INIZCTEOSA-N 0 3 256.393 3.440 20 30 CGEDHN N#Cc1ccccc1CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000335235310 375253076 /nfs/dbraw/zinc/25/30/76/375253076.db2.gz SUCDXGJJOFUWLK-GOSISDBHSA-N 0 3 296.414 3.339 20 30 CGEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485622228 375192657 /nfs/dbraw/zinc/19/26/57/375192657.db2.gz IXVVPQGLEDQGFC-XLNGHYISSA-N 0 3 282.387 3.331 20 30 CGEDHN OCCN(CC#Cc1ccc(F)cc1)CC1CCCCC1 ZINC000485873487 375193797 /nfs/dbraw/zinc/19/37/97/375193797.db2.gz NEZXXSKZBVJSFU-UHFFFAOYSA-N 0 3 289.394 3.052 20 30 CGEDHN C=CCOc1ccc(CNc2nc3ccc(F)cc3[nH]2)cc1 ZINC000485957107 375194609 /nfs/dbraw/zinc/19/46/09/375194609.db2.gz YLBYJSZCDHPJDC-UHFFFAOYSA-N 0 3 297.333 3.301 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H](O)CC(F)(F)F ZINC000188914630 375291264 /nfs/dbraw/zinc/29/12/64/375291264.db2.gz WCDKRDMGWQIZOQ-AWEZNQCLSA-N 0 3 287.325 3.030 20 30 CGEDHN CO[C@@]1(C)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000335763651 375410697 /nfs/dbraw/zinc/41/06/97/375410697.db2.gz QETKMOBPMABRNQ-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H]2CCC(C)(C)O2)cc1 ZINC000495180086 375497251 /nfs/dbraw/zinc/49/72/51/375497251.db2.gz JDRCSGZLTWOOMV-INIZCTEOSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)C(C)C)C(C)C ZINC000498367161 375627373 /nfs/dbraw/zinc/62/73/73/375627373.db2.gz JPJHPWZGKUYHIH-JKSUJKDBSA-N 0 3 280.456 3.093 20 30 CGEDHN N#Cc1cc(CN2CCC[C@]3(CCCOC3)C2)ccc1F ZINC000336050214 375647746 /nfs/dbraw/zinc/64/77/46/375647746.db2.gz OVNACIDOVBOERD-KRWDZBQOSA-N 0 3 288.366 3.090 20 30 CGEDHN C=CCC[C@H](NCc1csc(N(C)C)n1)C1CC1 ZINC000121509115 542019389 /nfs/dbraw/zinc/01/93/89/542019389.db2.gz SCYSKLDPYDDZQB-ZDUSSCGKSA-N 0 3 265.426 3.044 20 30 CGEDHN Cc1cc(CN2CCC(C(F)F)CC2)ccc1C#N ZINC000336092416 375681328 /nfs/dbraw/zinc/68/13/28/375681328.db2.gz VCTWUWYOBZTTKO-UHFFFAOYSA-N 0 3 264.319 3.344 20 30 CGEDHN CSCC[C@@H](C)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192107852 375698641 /nfs/dbraw/zinc/69/86/41/375698641.db2.gz FQHXBAFMRNZXAE-LLVKDONJSA-N 0 3 266.385 3.271 20 30 CGEDHN CS[C@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192120817 375701490 /nfs/dbraw/zinc/70/14/90/375701490.db2.gz HBHKKDKFSKVPPD-AWEZNQCLSA-N 0 3 278.396 3.415 20 30 CGEDHN N#Cc1ccc(OCCN[C@H]2CCCc3occc32)cc1 ZINC000193008607 375813988 /nfs/dbraw/zinc/81/39/88/375813988.db2.gz IPQAAPXXYSLFAE-INIZCTEOSA-N 0 3 282.343 3.197 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000336634370 375894034 /nfs/dbraw/zinc/89/40/34/375894034.db2.gz GJZSGRSCTZEFLI-INIZCTEOSA-N 0 3 276.355 3.088 20 30 CGEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)c2ccc(C)cc2C)C1=O ZINC000337129386 376088710 /nfs/dbraw/zinc/08/87/10/376088710.db2.gz IODCDZLUZUJJQD-DOTOQJQBSA-N 0 3 286.419 3.083 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@@H](C)C(C)(C)C ZINC000536594872 376101131 /nfs/dbraw/zinc/10/11/31/376101131.db2.gz PZMFPFXNAUBZLY-LBPRGKRZSA-N 0 3 260.381 3.433 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337278823 376187495 /nfs/dbraw/zinc/18/74/95/376187495.db2.gz HSNJJSABYSCMJF-VXGBXAGGSA-N 0 3 286.347 3.260 20 30 CGEDHN CCC[C@@H](C)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000538307348 376232341 /nfs/dbraw/zinc/23/23/41/376232341.db2.gz OXHLGDBKDYBTHZ-SJLPKXTDSA-N 0 3 285.435 3.305 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000539464257 376313230 /nfs/dbraw/zinc/31/32/30/376313230.db2.gz FXYPOMHMFJNNPA-OAHLLOKOSA-N 0 3 295.471 3.247 20 30 CGEDHN C=CCCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000338546104 376418492 /nfs/dbraw/zinc/41/84/92/376418492.db2.gz KTESQAKOFHEQPV-UONOGXRCSA-N 0 3 286.202 3.459 20 30 CGEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CC=CCC1 ZINC000541316031 376435986 /nfs/dbraw/zinc/43/59/86/376435986.db2.gz ZGQXCJHDWBOUPV-MRXNPFEDSA-N 0 3 257.352 3.465 20 30 CGEDHN N#CCC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000541922181 376495345 /nfs/dbraw/zinc/49/53/45/376495345.db2.gz QJWLSZCFAVBUCK-UHFFFAOYSA-N 0 3 280.375 3.202 20 30 CGEDHN CCC(CC)(CNCc1ccc(C#N)o1)SC ZINC000230708011 376538520 /nfs/dbraw/zinc/53/85/20/376538520.db2.gz RGEOTHYUWNRMBA-UHFFFAOYSA-N 0 3 252.383 3.163 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1ccccc1C ZINC000338992229 376616510 /nfs/dbraw/zinc/61/65/10/376616510.db2.gz KFCABCAAESJGKK-GOSISDBHSA-N 0 3 298.430 3.333 20 30 CGEDHN COc1cc(CNCc2cscc2C)ccc1C#N ZINC000234932420 376624828 /nfs/dbraw/zinc/62/48/28/376624828.db2.gz XQGMCQIFTLARNW-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN CCc1cccc(OCCN2CCC(CC#N)CC2)c1 ZINC000543812017 376680911 /nfs/dbraw/zinc/68/09/11/376680911.db2.gz ZPHOSCWBCKZQEV-UHFFFAOYSA-N 0 3 272.392 3.253 20 30 CGEDHN C[C@@H]1C[C@@]1(NCCOCCC#N)c1ccc(Cl)cc1 ZINC000339157803 376717518 /nfs/dbraw/zinc/71/75/18/376717518.db2.gz VBBUYSMWZMMZKB-DOMZBBRYSA-N 0 3 278.783 3.095 20 30 CGEDHN N#CCCCCNCc1c(F)cccc1N1CCCC1 ZINC000237793298 376759570 /nfs/dbraw/zinc/75/95/70/376759570.db2.gz ZRPZESCBNTZSGW-UHFFFAOYSA-N 0 3 275.371 3.209 20 30 CGEDHN COCc1cc(CNCc2cccc(C#N)c2)ccc1F ZINC000237201533 376735399 /nfs/dbraw/zinc/73/53/99/376735399.db2.gz BGSNWJREMMHIMI-UHFFFAOYSA-N 0 3 284.334 3.134 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544442716 376737758 /nfs/dbraw/zinc/73/77/58/376737758.db2.gz UMYPGOKICXBMRY-COXVUDFISA-N 0 3 286.419 3.348 20 30 CGEDHN COc1ccc(F)c(CNCC(C)(C)CCC#N)c1 ZINC000339400205 376750602 /nfs/dbraw/zinc/75/06/02/376750602.db2.gz LTHXUCDOCJYYHC-UHFFFAOYSA-N 0 3 264.344 3.254 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCC[C@H]1O ZINC000245525676 376842578 /nfs/dbraw/zinc/84/25/78/376842578.db2.gz ABQNINGDNZDQQP-DOTOQJQBSA-N 0 3 291.822 3.174 20 30 CGEDHN N#CCC[C@H](C#N)CNCCCc1c[nH]c2ccccc12 ZINC000554551469 376851463 /nfs/dbraw/zinc/85/14/63/376851463.db2.gz KNGRUEOZRYJYNW-CQSZACIVSA-N 0 3 280.375 3.134 20 30 CGEDHN N#Cc1cccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000340195909 376943797 /nfs/dbraw/zinc/94/37/97/376943797.db2.gz FQPIFQSODMHFMC-YWEYNIOJSA-N 0 3 293.326 3.269 20 30 CGEDHN CC(C)[C@H](Cc1ccc(F)cc1)NCc1ccc(C#N)cn1 ZINC000558245926 376988657 /nfs/dbraw/zinc/98/86/57/376988657.db2.gz KYUYFQQOGXTYGX-SFHVURJKSA-N 0 3 297.377 3.449 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C#N)cc2)c1 ZINC000340333952 377010803 /nfs/dbraw/zinc/01/08/03/377010803.db2.gz DFSBRXPTGBIMEY-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C#N)c(F)c1 ZINC000340451211 377064873 /nfs/dbraw/zinc/06/48/73/377064873.db2.gz XQHZRHCAGVGVPG-MNOVXSKESA-N 0 3 285.322 3.210 20 30 CGEDHN CN(C)CCN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000340675265 377206023 /nfs/dbraw/zinc/20/60/23/377206023.db2.gz OCRQLQKGSGJISZ-UHFFFAOYSA-N 0 3 293.414 3.122 20 30 CGEDHN C=CCCCCN[C@H](CO)c1cccc(Cl)c1F ZINC000565873860 377490290 /nfs/dbraw/zinc/49/02/90/377490290.db2.gz FIRRNNPVJMCTMD-CYBMUJFWSA-N 0 3 271.763 3.458 20 30 CGEDHN COc1ccc(OC2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000568602376 377519577 /nfs/dbraw/zinc/51/95/77/377519577.db2.gz HOOYNFNXTHFTJH-CQSZACIVSA-N 0 3 288.391 3.231 20 30 CGEDHN COCc1ccccc1CNCc1cc(C#N)cs1 ZINC000093492244 249038240 /nfs/dbraw/zinc/03/82/40/249038240.db2.gz WLBFQSQNWVMEAQ-UHFFFAOYSA-N 0 3 272.373 3.056 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCCC[C@@H]1O ZINC000569931763 377531152 /nfs/dbraw/zinc/53/11/52/377531152.db2.gz KMYNUSLMVBHFIX-RDGPPVDQSA-N 0 3 298.430 3.309 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)nc1 ZINC000516781856 249244283 /nfs/dbraw/zinc/24/42/83/249244283.db2.gz YPKMXFHBXHWMGX-KRWDZBQOSA-N 0 3 291.398 3.408 20 30 CGEDHN COc1ccc(C)cc1CNCCc1cccc(C#N)c1 ZINC000341483417 377586098 /nfs/dbraw/zinc/58/60/98/377586098.db2.gz KLRWLVZQVUDUEP-UHFFFAOYSA-N 0 3 280.371 3.208 20 30 CGEDHN N#CCCCOc1cccc(CN[C@@H]2C[C@H]2C(F)F)c1 ZINC000342214989 377633739 /nfs/dbraw/zinc/63/37/39/377633739.db2.gz OWLXCAIINQGUIR-ZIAGYGMSSA-N 0 3 280.318 3.112 20 30 CGEDHN C=CCN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000342477683 377651810 /nfs/dbraw/zinc/65/18/10/377651810.db2.gz HFWUTRQTUUCFBT-HNNXBMFYSA-N 0 3 261.365 3.153 20 30 CGEDHN COc1ccccc1CC1CCN(CCCC#N)CC1 ZINC000263818871 377950924 /nfs/dbraw/zinc/95/09/24/377950924.db2.gz PJNSMWUOYALFFJ-UHFFFAOYSA-N 0 3 272.392 3.253 20 30 CGEDHN C=CCCN(C)Cc1cc(Br)cc2c1OCC2 ZINC000343501038 377996464 /nfs/dbraw/zinc/99/64/64/377996464.db2.gz XKUOXORGTGWWRK-UHFFFAOYSA-N 0 3 296.208 3.392 20 30 CGEDHN C=CCOc1ccccc1CN(C)CC[C@H]1CCCO1 ZINC000343500392 377996910 /nfs/dbraw/zinc/99/69/10/377996910.db2.gz WMZDRNXIZWPJHL-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN CCN(CCC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000267763815 378044458 /nfs/dbraw/zinc/04/44/58/378044458.db2.gz DKWPXWLCMSZNON-UHFFFAOYSA-N 0 3 299.418 3.048 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](c1ncccc1C)C(C)C ZINC000268526900 378071436 /nfs/dbraw/zinc/07/14/36/378071436.db2.gz HJXKQPZQMDUHAB-GJZGRUSLSA-N 0 3 262.397 3.004 20 30 CGEDHN C=C[C@H](CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1ccccc1 ZINC000579528601 378168380 /nfs/dbraw/zinc/16/83/80/378168380.db2.gz QWVJGKHLTNFKEI-BPQIPLTHSA-N 0 3 298.430 3.041 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)o1)Oc1ccccc1 ZINC000344447544 378172555 /nfs/dbraw/zinc/17/25/55/378172555.db2.gz LJAXQXDBVRSXKZ-UHFFFAOYSA-N 0 3 270.332 3.098 20 30 CGEDHN CC[C@@H](CC#N)NCC[C@@H](C)OCc1ccccc1 ZINC000583820647 378349929 /nfs/dbraw/zinc/34/99/29/378349929.db2.gz LNIGBEJISJYUJU-ZBFHGGJFSA-N 0 3 260.381 3.264 20 30 CGEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742783 378411046 /nfs/dbraw/zinc/41/10/46/378411046.db2.gz SGAGUILYZBXUHK-SFHVURJKSA-N 0 3 278.355 3.344 20 30 CGEDHN CC[C@H](Cc1ccccc1)N(CC)C(=O)C(C)C#N ZINC000346056421 378451952 /nfs/dbraw/zinc/45/19/52/378451952.db2.gz BHGTWKAPUWZFSR-DZGCQCFKSA-N 0 3 258.365 3.016 20 30 CGEDHN CSC[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271933619 378523009 /nfs/dbraw/zinc/52/30/09/378523009.db2.gz JHCFXWLMWVJFDA-UWVGGRQHSA-N 0 3 252.358 3.099 20 30 CGEDHN C[C@@H](NC[C@](C)(O)c1ccsc1)c1cccc(C#N)c1 ZINC000271911559 378515535 /nfs/dbraw/zinc/51/55/35/378515535.db2.gz YAVAIAQITGDWBX-WBMJQRKESA-N 0 3 286.400 3.178 20 30 CGEDHN CS[C@@H](C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271924263 378519765 /nfs/dbraw/zinc/51/97/65/378519765.db2.gz FXUOUHADPCAMDQ-VHSXEESVSA-N 0 3 252.358 3.099 20 30 CGEDHN C[C@@H](CN1CCCCC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271967872 378533600 /nfs/dbraw/zinc/53/36/00/378533600.db2.gz VZJFGPQZAMJJAV-KBPBESRZSA-N 0 3 289.398 3.222 20 30 CGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1)c1cccs1 ZINC000274064982 378772297 /nfs/dbraw/zinc/77/22/97/378772297.db2.gz QQQJEMLJGTYNDW-CQSZACIVSA-N 0 3 271.389 3.335 20 30 CGEDHN C=CCOCCCN[C@H](c1nc(C)cs1)C1CC1 ZINC000348062321 378772880 /nfs/dbraw/zinc/77/28/80/378772880.db2.gz UPKSDPMGVXQTPQ-ZDUSSCGKSA-N 0 3 266.410 3.085 20 30 CGEDHN C=CCC[C@H](NC[C@@H](CO)c1cccnc1)c1ccco1 ZINC000348245152 378860606 /nfs/dbraw/zinc/86/06/06/378860606.db2.gz OKSFFLHZWCPEMW-HOTGVXAUSA-N 0 3 286.375 3.048 20 30 CGEDHN COC(=O)c1coc([C@H](C)NCC(C)(C)CCC#N)c1 ZINC000348243606 378860984 /nfs/dbraw/zinc/86/09/84/378860984.db2.gz LUBILFHPPWWEDD-NSHDSACASA-N 0 3 278.352 3.047 20 30 CGEDHN Cc1nc([C@H](C)NCC(C)(C)CCC#N)cs1 ZINC000348207318 378838826 /nfs/dbraw/zinc/83/88/26/378838826.db2.gz OWRCAZZWUYHANW-JTQLQIEISA-N 0 3 251.399 3.432 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000638867061 378941102 /nfs/dbraw/zinc/94/11/02/378941102.db2.gz ZEBWYRMBXNUTNA-INIZCTEOSA-N 0 3 286.419 3.330 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000638875423 378944323 /nfs/dbraw/zinc/94/43/23/378944323.db2.gz SRHDFPGCEQZQQL-GOEBONIOSA-N 0 3 288.435 3.431 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC ZINC000348469952 378961711 /nfs/dbraw/zinc/96/17/11/378961711.db2.gz PGDDVCPWEFHSHF-GOEBONIOSA-N 0 3 290.432 3.331 20 30 CGEDHN CN(C)CCN(Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000348937353 379117381 /nfs/dbraw/zinc/11/73/81/379117381.db2.gz WBTALWMGFZYQRT-UHFFFAOYSA-N 0 3 299.443 3.184 20 30 CGEDHN CC[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(C#N)cc1 ZINC000278816027 194167272 /nfs/dbraw/zinc/16/72/72/194167272.db2.gz SFOLQSSQCMPZOI-OTWHNJEPSA-N 0 3 292.382 3.257 20 30 CGEDHN C#CCCCN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000266492222 190261185 /nfs/dbraw/zinc/26/11/85/190261185.db2.gz AEJOGYAIMXIATQ-NSHDSACASA-N 0 3 277.318 3.495 20 30 CGEDHN CC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000278235730 379323599 /nfs/dbraw/zinc/32/35/99/379323599.db2.gz KPJGTYWVKSWCQQ-ZWKOTPCHSA-N 0 3 298.361 3.472 20 30 CGEDHN Cn1cc(CN2CCC[C@H]2Cc2ccc(F)cc2)cc1C#N ZINC000373810632 379335731 /nfs/dbraw/zinc/33/57/31/379335731.db2.gz CVVGKSIHMWVYNF-KRWDZBQOSA-N 0 3 297.377 3.243 20 30 CGEDHN CC[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(C#N)cc1 ZINC000278289924 379337440 /nfs/dbraw/zinc/33/74/40/379337440.db2.gz QYGKXWPTSLJLJS-SJORKVTESA-N 0 3 297.402 3.495 20 30 CGEDHN N#Cc1ccc(OCCN2CC[C@@H](c3ccco3)C2)cc1 ZINC000374002022 379359386 /nfs/dbraw/zinc/35/93/86/379359386.db2.gz JNCXPIAPUZEINC-OAHLLOKOSA-N 0 3 282.343 3.020 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000349814746 379397496 /nfs/dbraw/zinc/39/74/96/379397496.db2.gz WCGVPEUEFFCWGY-NEPJUHHUSA-N 0 3 284.281 3.367 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349851376 379421856 /nfs/dbraw/zinc/42/18/56/379421856.db2.gz GXJSTKVGRVSFNO-UKRRQHHQSA-N 0 3 256.349 3.033 20 30 CGEDHN C[C@H](CC1CCOCC1)CN(C[C@H](C)C#N)C1CC1 ZINC000349961055 379459036 /nfs/dbraw/zinc/45/90/36/379459036.db2.gz BAZQPPDUZRRWKS-ZIAGYGMSSA-N 0 3 264.413 3.063 20 30 CGEDHN C=CCC[C@@H](O)CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375960150 379516812 /nfs/dbraw/zinc/51/68/12/379516812.db2.gz IQQLDUVGENPOED-OAHLLOKOSA-N 0 3 292.810 3.151 20 30 CGEDHN C[C@H]1CN(CCCCC(C)(C)C#N)C[C@H](C2CC2)O1 ZINC000375907811 379516892 /nfs/dbraw/zinc/51/68/92/379516892.db2.gz ZHSZABPESYZATH-DZGCQCFKSA-N 0 3 264.413 3.206 20 30 CGEDHN CCN1[C@H](C)CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000639742555 379564232 /nfs/dbraw/zinc/56/42/32/379564232.db2.gz OXKOOKUGRAJSMU-GASCZTMLSA-N 0 3 290.838 3.106 20 30 CGEDHN C[C@H]1C[C@@H](c2cccnc2)N(CCC(C)(C)C#N)C1 ZINC000376550414 379578096 /nfs/dbraw/zinc/57/80/96/379578096.db2.gz DUIJLVOAHZAFHS-ZFWWWQNUSA-N 0 3 257.381 3.404 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000639864308 379614100 /nfs/dbraw/zinc/61/41/00/379614100.db2.gz YEPSAWPIPAJZDF-AHCXZYCDSA-N 0 3 298.430 3.435 20 30 CGEDHN COc1ccc(CN(C)[C@H](C)CCC#N)cc1OC(F)F ZINC000351610091 379728734 /nfs/dbraw/zinc/72/87/34/379728734.db2.gz UXSANXZOFRPIGO-LLVKDONJSA-N 0 3 298.333 3.421 20 30 CGEDHN N#Cc1cccc(NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000267264285 190316330 /nfs/dbraw/zinc/31/63/30/190316330.db2.gz XUIUYQKOBBTWOB-CQSZACIVSA-N 0 3 298.415 3.264 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000351864172 379747978 /nfs/dbraw/zinc/74/79/78/379747978.db2.gz XVDCVLOIFVLNCW-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=C(C)CCN(CCc1ccccn1)Cc1cccnc1 ZINC000352409191 379801676 /nfs/dbraw/zinc/80/16/76/379801676.db2.gz YDNDRVWHTHAGHL-UHFFFAOYSA-N 0 3 281.403 3.488 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000280724482 379772092 /nfs/dbraw/zinc/77/20/92/379772092.db2.gz GAXUGRHTRSSXML-OZVIIMIRSA-N 0 3 279.355 3.163 20 30 CGEDHN C=CC[C@H](CC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000281595550 379841941 /nfs/dbraw/zinc/84/19/41/379841941.db2.gz CVUQWCRKCGVNGV-KRWDZBQOSA-N 0 3 286.419 3.367 20 30 CGEDHN CCCC[C@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000352821221 379981819 /nfs/dbraw/zinc/98/18/19/379981819.db2.gz GVTFTRIIDKKBIB-AAEUAGOBSA-N 0 3 263.410 3.463 20 30 CGEDHN CCc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000352777382 379953733 /nfs/dbraw/zinc/95/37/33/379953733.db2.gz AYTYXGIIYVLEGC-CYBMUJFWSA-N 0 3 265.360 3.366 20 30 CGEDHN C=C(C)CN(CCCCOC)Cc1cnn(C(C)C)c1 ZINC000352903845 380028696 /nfs/dbraw/zinc/02/86/96/380028696.db2.gz SDRZGXKSGTULTC-UHFFFAOYSA-N 0 3 279.428 3.269 20 30 CGEDHN C[C@H](N[C@@H]1CSC1(C)C)c1ccc(C#N)c(F)c1 ZINC000283468829 380064734 /nfs/dbraw/zinc/06/47/34/380064734.db2.gz WCXHSBJPBQTONR-TVQRCGJNSA-N 0 3 264.369 3.242 20 30 CGEDHN CCCC[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000347914773 218398205 /nfs/dbraw/zinc/39/82/05/218398205.db2.gz OXRIQWGEFVJFBY-SJORKVTESA-N 0 3 299.418 3.033 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(OC2CCCCC2)CC1 ZINC000411229424 380136868 /nfs/dbraw/zinc/13/68/68/380136868.db2.gz WZNGQIRKMBMEDC-AWEZNQCLSA-N 0 3 264.413 3.492 20 30 CGEDHN C[C@@H](CCC#N)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000411435567 380146325 /nfs/dbraw/zinc/14/63/25/380146325.db2.gz ZUZZZKWGFOQSPQ-AWEZNQCLSA-N 0 3 298.386 3.239 20 30 CGEDHN COc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)CCCO2 ZINC000414161887 380195352 /nfs/dbraw/zinc/19/53/52/380195352.db2.gz GGQOOMRUDXTQQC-HNNXBMFYSA-N 0 3 288.391 3.438 20 30 CGEDHN C=CCC[C@@H](NC[C@@H](CC)CCO)c1ccco1 ZINC000286334306 380197173 /nfs/dbraw/zinc/19/71/73/380197173.db2.gz YAKZCSCSUQHVBF-UONOGXRCSA-N 0 3 251.370 3.285 20 30 CGEDHN COc1ccsc1[C@@H](C)NCC(C)(C)CC#N ZINC000414172132 380198649 /nfs/dbraw/zinc/19/86/49/380198649.db2.gz VOLYCPQWNNYPIP-SNVBAGLBSA-N 0 3 252.383 3.347 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000414435242 380234447 /nfs/dbraw/zinc/23/44/47/380234447.db2.gz QTFGJYRRKFKKSV-LBPRGKRZSA-N 0 3 273.298 3.040 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1cc(C#N)cs1 ZINC000414499040 380273526 /nfs/dbraw/zinc/27/35/26/380273526.db2.gz XTDLNKRKGGITCE-CVEARBPZSA-N 0 3 284.384 3.022 20 30 CGEDHN C=C(C)COc1cc(CN2CC(C3CC3)C2)ccc1OC ZINC000643345694 380287617 /nfs/dbraw/zinc/28/76/17/380287617.db2.gz GPDRVHIQGBLBGP-UHFFFAOYSA-N 0 3 287.403 3.492 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1conc1C ZINC000414533914 380305312 /nfs/dbraw/zinc/30/53/12/380305312.db2.gz JECRGDDMPQOPAN-INIZCTEOSA-N 0 3 256.349 3.260 20 30 CGEDHN CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354460714 380448472 /nfs/dbraw/zinc/44/84/72/380448472.db2.gz FRHGFEOLHFXVNU-AWEZNQCLSA-N 0 3 295.342 3.144 20 30 CGEDHN CC(C)(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354460714 380448475 /nfs/dbraw/zinc/44/84/75/380448475.db2.gz FRHGFEOLHFXVNU-AWEZNQCLSA-N 0 3 295.342 3.144 20 30 CGEDHN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)[C@H]2CCC[C@@H]21 ZINC000354581525 380493278 /nfs/dbraw/zinc/49/32/78/380493278.db2.gz QAHLYMVSXDKENM-HOTGVXAUSA-N 0 3 294.402 3.216 20 30 CGEDHN C=CCCc1ccccc1NC(=O)C12CCCN1CCC2 ZINC000415622739 380513147 /nfs/dbraw/zinc/51/31/47/380513147.db2.gz DHIKSQBVOUVWDG-UHFFFAOYSA-N 0 3 284.403 3.372 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cccnc2C#N)C1 ZINC000357172691 381052539 /nfs/dbraw/zinc/05/25/39/381052539.db2.gz NBZPJGCMXCRRMS-GOEBONIOSA-N 0 3 292.386 3.201 20 30 CGEDHN C[C@@H]1CN(C2CC2)C[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000358337020 381306244 /nfs/dbraw/zinc/30/62/44/381306244.db2.gz DWKPNLCRQDCVNC-ZTFGCOKTSA-N 0 3 283.419 3.104 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000358702692 381324409 /nfs/dbraw/zinc/32/44/09/381324409.db2.gz BMBLQLYEBWJCST-ZDUSSCGKSA-N 0 3 289.338 3.001 20 30 CGEDHN C=C(CC)CN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000358620752 381319139 /nfs/dbraw/zinc/31/91/39/381319139.db2.gz AMYODXMMRONFGS-UHFFFAOYSA-N 0 3 286.419 3.109 20 30 CGEDHN C[C@@H](NCc1ccc(Cl)cc1C#N)[C@H]1CCCOC1 ZINC000360232451 381491282 /nfs/dbraw/zinc/49/12/82/381491282.db2.gz AKSFYDSMADMEMN-YPMHNXCESA-N 0 3 278.783 3.116 20 30 CGEDHN C[C@H]1CCCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000360605995 381592057 /nfs/dbraw/zinc/59/20/57/381592057.db2.gz YHNHFUVUKYKZRK-AWEZNQCLSA-N 0 3 267.376 3.433 20 30 CGEDHN CC[C@H](C)CN(CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000361336088 381703607 /nfs/dbraw/zinc/70/36/07/381703607.db2.gz MDCATBUIEXROFJ-ZDUSSCGKSA-N 0 3 298.390 3.476 20 30 CGEDHN C=CCCCN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000361459275 381754806 /nfs/dbraw/zinc/75/48/06/381754806.db2.gz WGGSFSINHWGXFN-GFCCVEGCSA-N 0 3 289.297 3.174 20 30 CGEDHN CCN(Cc1cn2ccccc2c1C#N)CC1CCC1 ZINC000361484776 381768485 /nfs/dbraw/zinc/76/84/85/381768485.db2.gz KPPURSSEIDMECK-UHFFFAOYSA-N 0 3 267.376 3.433 20 30 CGEDHN COCCN(Cc1cc(C#N)cs1)[C@@H]1CC[C@@H](C)C1 ZINC000361626150 381844770 /nfs/dbraw/zinc/84/47/70/381844770.db2.gz BMNNVZGLHFBDDV-TZMCWYRMSA-N 0 3 278.421 3.257 20 30 CGEDHN N#CC(C(=O)c1ccc(F)c2ccccc12)c1ccncn1 ZINC000361793165 381869905 /nfs/dbraw/zinc/86/99/05/381869905.db2.gz VLISMLGUVGOSKW-AWEZNQCLSA-N 0 3 291.285 3.259 20 30 CGEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)ccc1C#N ZINC000362961369 382165829 /nfs/dbraw/zinc/16/58/29/382165829.db2.gz WKVGRQBUYDVOLR-UHFFFAOYSA-N 0 3 275.355 3.370 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000352244093 533117318 /nfs/dbraw/zinc/11/73/18/533117318.db2.gz MLVMZDRELIZTTF-XHDPSFHLSA-N 0 3 299.761 3.100 20 30 CGEDHN C=CCOCCNCc1ccc(Br)c(C)c1 ZINC000303552202 542415606 /nfs/dbraw/zinc/41/56/06/542415606.db2.gz WOVAEZWTBZRTKO-UHFFFAOYSA-N 0 3 284.197 3.050 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000343475490 542500539 /nfs/dbraw/zinc/50/05/39/542500539.db2.gz TXDIYAUWTAATRI-HNNXBMFYSA-N 0 3 285.391 3.116 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C)CC1 ZINC000179657155 260061994 /nfs/dbraw/zinc/06/19/94/260061994.db2.gz RYJSCWDBCMCQII-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1ccncc1F ZINC000336215974 533337571 /nfs/dbraw/zinc/33/75/71/533337571.db2.gz SHIJSNOTKJSSOX-XIKARTHZSA-N 0 3 261.344 3.344 20 30 CGEDHN C[C@@H](NC[C@@H]1NCCc2ccccc21)c1cccc(C#N)c1 ZINC000423415060 533423927 /nfs/dbraw/zinc/42/39/27/533423927.db2.gz DHAVVTHNKJUHPR-KUHUBIRLSA-N 0 3 291.398 3.096 20 30 CGEDHN C[C@@H](NC[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(C#N)cc1F ZINC000414265797 533437105 /nfs/dbraw/zinc/43/71/05/533437105.db2.gz RNYGCZHUAFAYHU-HKUMRIAESA-N 0 3 276.355 3.161 20 30 CGEDHN CSCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358568502 533572573 /nfs/dbraw/zinc/57/25/73/533572573.db2.gz LHDZQGOTZBVSGW-JTQLQIEISA-N 0 3 252.358 3.101 20 30 CGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000189577467 129994016 /nfs/dbraw/zinc/99/40/16/129994016.db2.gz OMEJJUNKMQHOCI-LLVKDONJSA-N 0 3 273.767 3.401 20 30 CGEDHN CCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1cccc(OC)c1 ZINC000191240604 130208788 /nfs/dbraw/zinc/20/87/88/130208788.db2.gz LZGKUBHGOMMYBM-CQSZACIVSA-N 0 3 297.402 3.488 20 30 CGEDHN C[C@](O)(CNCc1ccc(C#N)s1)C1CCCCC1 ZINC000191668396 130274647 /nfs/dbraw/zinc/27/46/47/130274647.db2.gz JEJFCQZJLICHOB-HNNXBMFYSA-N 0 3 278.421 3.041 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCS[C@@H](C)CC1 ZINC000192178095 130389237 /nfs/dbraw/zinc/38/92/37/130389237.db2.gz WAERLXNZCXFCJG-STQMWFEESA-N 0 3 260.406 3.447 20 30 CGEDHN C=CCSCCNCc1ccc(C)c(OC)c1 ZINC000194293571 130683090 /nfs/dbraw/zinc/68/30/90/130683090.db2.gz XKKJVFICJBBENU-UHFFFAOYSA-N 0 3 251.395 3.012 20 30 CGEDHN Cc1cc(C)c(C#N)c(NC[C@H](C)N2CCC[C@H](C)C2)n1 ZINC000071954258 392194566 /nfs/dbraw/zinc/19/45/66/392194566.db2.gz SODNIZFTNKIYFR-WFASDCNBSA-N 0 3 286.423 3.102 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2cc(C)c(C)o2)CC1 ZINC000282439455 392290728 /nfs/dbraw/zinc/29/07/28/392290728.db2.gz ZIWBONOSLMJUTH-CYBMUJFWSA-N 0 3 262.397 3.197 20 30 CGEDHN C=CCC[C@@H](NCCC(=O)N1CCCCC1)c1ccco1 ZINC000285587862 392327343 /nfs/dbraw/zinc/32/73/43/392327343.db2.gz JACJWAPSZBMPJU-OAHLLOKOSA-N 0 3 290.407 3.279 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccco1 ZINC000285513936 392325235 /nfs/dbraw/zinc/32/52/35/392325235.db2.gz AVESJYRPGPZVRL-VNQPRFMTSA-N 0 3 274.408 3.359 20 30 CGEDHN CC(C)[C@H](CNc1nc(Cl)c(C#N)s1)N1CCCC1 ZINC000286017794 392364549 /nfs/dbraw/zinc/36/45/49/392364549.db2.gz FRHGENQXSHAUPJ-JTQLQIEISA-N 0 3 298.843 3.200 20 30 CGEDHN CC(C)[C@@H](CNc1nc(Cl)c(C#N)s1)N1CCCC1 ZINC000286017798 392364582 /nfs/dbraw/zinc/36/45/82/392364582.db2.gz FRHGENQXSHAUPJ-SNVBAGLBSA-N 0 3 298.843 3.200 20 30 CGEDHN CCS[C@H]1CCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000286028305 392366438 /nfs/dbraw/zinc/36/64/38/392366438.db2.gz HTGOJRIXQCOPPK-GJZGRUSLSA-N 0 3 278.396 3.461 20 30 CGEDHN C[C@@H](c1cccc(O)c1)N(C)CCOc1cccc(C#N)c1 ZINC000109781031 392372900 /nfs/dbraw/zinc/37/29/00/392372900.db2.gz LBERPYFCVXSSIH-AWEZNQCLSA-N 0 3 296.370 3.336 20 30 CGEDHN C=CCCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000263823181 131340086 /nfs/dbraw/zinc/34/00/86/131340086.db2.gz QYGFHTWLDWRNFO-UHFFFAOYSA-N 0 3 298.430 3.002 20 30 CGEDHN CC(C)N1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000121331404 392412255 /nfs/dbraw/zinc/41/22/55/392412255.db2.gz IGCPJDWJWFPIGV-UHFFFAOYSA-N 0 3 297.324 3.107 20 30 CGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)O1 ZINC000294971409 392540938 /nfs/dbraw/zinc/54/09/38/392540938.db2.gz FPPVIMJSPJDKNC-LALPHHSUSA-N 0 3 297.320 3.212 20 30 CGEDHN C#CCCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000372373719 392605438 /nfs/dbraw/zinc/60/54/38/392605438.db2.gz DNWYRBYVGJYSHV-AWEZNQCLSA-N 0 3 299.349 3.078 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647346175 392697393 /nfs/dbraw/zinc/69/73/93/392697393.db2.gz RXVYEELQSOCKKT-XEZPLFJOSA-N 0 3 265.372 3.440 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000334319938 392719063 /nfs/dbraw/zinc/71/90/63/392719063.db2.gz VCQCGELUSQVODH-CBAPKCEASA-N 0 3 268.769 3.055 20 30 CGEDHN CC1(C)C[C@@H](NCc2ccc(C#N)c(F)c2)C(C)(C)O1 ZINC000192194121 392842195 /nfs/dbraw/zinc/84/21/95/392842195.db2.gz NGDFOQVKOYTCAV-CQSZACIVSA-N 0 3 276.355 3.133 20 30 CGEDHN CC(C#N)C(=O)NC1c2ccccc2Oc2ccccc21 ZINC000335688386 392807916 /nfs/dbraw/zinc/80/79/16/392807916.db2.gz CJRDOTPBYHVCJJ-NSHDSACASA-N 0 3 278.311 3.158 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000335730497 392812131 /nfs/dbraw/zinc/81/21/31/392812131.db2.gz STUIEPBDZDFWBR-MLGOLLRUSA-N 0 3 281.359 3.381 20 30 CGEDHN CC(C)(CCC#N)CN1CC(C)(C)OC(C)(C)C1 ZINC000191195037 392824184 /nfs/dbraw/zinc/82/41/84/392824184.db2.gz RCLISFMDIPBVHB-UHFFFAOYSA-N 0 3 252.402 3.206 20 30 CGEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc2ccccc2c1 ZINC000514317436 392855643 /nfs/dbraw/zinc/85/56/43/392855643.db2.gz NRDTWISNVBOXNZ-SFHVURJKSA-N 0 3 299.414 3.478 20 30 CGEDHN Cc1ccn(-c2ccccc2CN[C@@H]2CCC[C@H](C#N)C2)n1 ZINC000193026780 392867801 /nfs/dbraw/zinc/86/78/01/392867801.db2.gz FCSURBPRRRCACV-DOTOQJQBSA-N 0 3 294.402 3.353 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(OCCc3ccccc3)CC2)C1 ZINC000338934653 392936030 /nfs/dbraw/zinc/93/60/30/392936030.db2.gz RGEYTTATRHRXOS-MSOLQXFVSA-N 0 3 298.430 3.402 20 30 CGEDHN C=CCOCCN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000339080758 392945007 /nfs/dbraw/zinc/94/50/07/392945007.db2.gz NDXAXAJELONSNL-UONOGXRCSA-N 0 3 275.392 3.205 20 30 CGEDHN CC[C@H](NCCOCCC#N)c1cccc(Cl)c1 ZINC000339065160 392945522 /nfs/dbraw/zinc/94/55/22/392945522.db2.gz JMYQFFWYTHOLJK-AWEZNQCLSA-N 0 3 266.772 3.311 20 30 CGEDHN C=CCOCCN(C)Cc1cccc(OC(C)C)c1 ZINC000339052544 392942877 /nfs/dbraw/zinc/94/28/77/392942877.db2.gz AZBNRGUXASMYSX-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN C=C(C)CCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976617 392993041 /nfs/dbraw/zinc/99/30/41/392993041.db2.gz DPIBNZXPACYLHH-KRWDZBQOSA-N 0 3 271.360 3.063 20 30 CGEDHN C=CCc1cc(CN2CC[C@H]2C(C)C)cc(OC)c1O ZINC000342847145 393011510 /nfs/dbraw/zinc/01/15/10/393011510.db2.gz AZWAPOJERUAOIG-HNNXBMFYSA-N 0 3 275.392 3.360 20 30 CGEDHN C=CCN(CCC(C)(C)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000346296568 393081775 /nfs/dbraw/zinc/08/17/75/393081775.db2.gz NAHNGQSSCIXSAG-UHFFFAOYSA-N 0 3 292.379 3.398 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)C(C)(C)C1 ZINC000546125368 393034207 /nfs/dbraw/zinc/03/42/07/393034207.db2.gz HFHQSDXSWYXELZ-ZDUSSCGKSA-N 0 3 272.392 3.435 20 30 CGEDHN CN1CCN(Cc2ccccc2C(C)(C)C#N)C(C)(C)C1 ZINC000347567480 393107509 /nfs/dbraw/zinc/10/75/09/393107509.db2.gz NINIRJIOIPHNQK-UHFFFAOYSA-N 0 3 285.435 3.014 20 30 CGEDHN C=CCN(CC=C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000348809536 393132554 /nfs/dbraw/zinc/13/25/54/393132554.db2.gz POMOCUBUQVGBGZ-UHFFFAOYSA-N 0 3 298.430 3.487 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](COC(F)F)C2)cc1 ZINC000348882606 393134536 /nfs/dbraw/zinc/13/45/36/393134536.db2.gz YZNSAMKWILLCSM-AWEZNQCLSA-N 0 3 297.345 3.313 20 30 CGEDHN C[C@@H]1C[C@H](C)N1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000547769553 393145853 /nfs/dbraw/zinc/14/58/53/393145853.db2.gz NKABVMPLCSFQJB-PHIMTYICSA-N 0 3 291.782 3.023 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CC(F)(F)F ZINC000279261019 393333021 /nfs/dbraw/zinc/33/30/21/393333021.db2.gz ICZXMPLSTATGAR-CQSZACIVSA-N 0 3 287.325 3.378 20 30 CGEDHN C=C(CC)CNCc1cn(C)nc1-c1ccc(C)o1 ZINC000647215676 393392543 /nfs/dbraw/zinc/39/25/43/393392543.db2.gz BGPPYUZOFCVIBB-UHFFFAOYSA-N 0 3 259.353 3.044 20 30 CGEDHN CC[C@H](COC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356184210 393371494 /nfs/dbraw/zinc/37/14/94/393371494.db2.gz CWOOCQWQBOVEGC-GFCCVEGCSA-N 0 3 286.297 3.092 20 30 CGEDHN C=CC[C@H]1CC[C@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000649488849 393449347 /nfs/dbraw/zinc/44/93/47/393449347.db2.gz BIWRQBRHDYNHGK-ZBEGNZNMSA-N 0 3 281.363 3.015 20 30 CGEDHN CC[C@@H]1CN(Cc2ccc(C#N)c(C)c2)CCS1 ZINC000488416261 393505134 /nfs/dbraw/zinc/50/51/34/393505134.db2.gz HXTMIJDHWPGMMC-OAHLLOKOSA-N 0 3 260.406 3.194 20 30 CGEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000489490257 393600834 /nfs/dbraw/zinc/60/08/34/393600834.db2.gz CDHRLDVXERYFTC-MRXNPFEDSA-N 0 3 294.402 3.189 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOCC(F)F ZINC000360882919 393605619 /nfs/dbraw/zinc/60/56/19/393605619.db2.gz HMNAONHCDDXSHB-HNNXBMFYSA-N 0 3 294.345 3.197 20 30 CGEDHN COc1ccc(F)cc1CNCCc1cccc(C#N)c1 ZINC000361116793 393677541 /nfs/dbraw/zinc/67/75/41/393677541.db2.gz GAZFNGWEYHEYAW-UHFFFAOYSA-N 0 3 284.334 3.038 20 30 CGEDHN Cc1nc([C@H](C)NCCc2cccc(C#N)c2)cs1 ZINC000361003411 393636269 /nfs/dbraw/zinc/63/62/69/393636269.db2.gz OFMBLMFHISWYOM-NSHDSACASA-N 0 3 271.389 3.217 20 30 CGEDHN C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)CC12CCC2 ZINC000361106779 393673475 /nfs/dbraw/zinc/67/34/75/393673475.db2.gz OUUVWTHKCGEGJX-AWEZNQCLSA-N 0 3 294.402 3.218 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCCSCC#N ZINC000425540504 393697874 /nfs/dbraw/zinc/69/78/74/393697874.db2.gz VOGGYPFJGJLACE-ZDUSSCGKSA-N 0 3 273.405 3.198 20 30 CGEDHN CCC[C@@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000501149449 393847607 /nfs/dbraw/zinc/84/76/07/393847607.db2.gz FCVPOAWOIDJSLH-CYBMUJFWSA-N 0 3 275.371 3.008 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2c(C3CC3)cnn2C)C1 ZINC000668493681 543020730 /nfs/dbraw/zinc/02/07/30/543020730.db2.gz QKBPRGXOZHSLRZ-CYBMUJFWSA-N 0 3 259.397 3.086 20 30 CGEDHN C=CCOc1ccccc1CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000668515078 543022568 /nfs/dbraw/zinc/02/25/68/543022568.db2.gz DYNGXUDHWGBTCU-HDICACEKSA-N 0 3 287.403 3.110 20 30 CGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000735208720 572708749 /nfs/dbraw/zinc/70/87/49/572708749.db2.gz NRTDIKGWHLGZFN-IHVVCDCBSA-N 0 3 290.750 3.344 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)s1 ZINC000041562690 397611934 /nfs/dbraw/zinc/61/19/34/397611934.db2.gz PUJURZNKNRFJLG-CYBMUJFWSA-N 0 3 285.372 3.262 20 30 CGEDHN C=CCCCCN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649827422 397730925 /nfs/dbraw/zinc/73/09/25/397730925.db2.gz OBNDQZBJXDRJEO-GOSISDBHSA-N 0 3 272.436 3.201 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000735490654 572725981 /nfs/dbraw/zinc/72/59/81/572725981.db2.gz MZZQJHSPZNPJGP-AWEZNQCLSA-N 0 3 295.448 3.439 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000676740265 543415298 /nfs/dbraw/zinc/41/52/98/543415298.db2.gz PKGMJEVJVJBISL-RDTXWAMCSA-N 0 3 298.386 3.462 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000677047443 543427734 /nfs/dbraw/zinc/42/77/34/543427734.db2.gz AXWNLSOEIGHLMK-CYBMUJFWSA-N 0 3 274.191 3.362 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(Cc2ccccc2F)CC1 ZINC000678049968 543479178 /nfs/dbraw/zinc/47/91/78/543479178.db2.gz RKUNKJFPAJANSS-KRWDZBQOSA-N 0 3 277.383 3.017 20 30 CGEDHN CCC#C[C@@H](C)N(CC)Cc1ccc2c(c1)OCO2 ZINC000677951941 543474582 /nfs/dbraw/zinc/47/45/82/543474582.db2.gz ZFYGFZTWWAKSQX-CYBMUJFWSA-N 0 3 259.349 3.039 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(SCCOC)cc1 ZINC000678765052 543554276 /nfs/dbraw/zinc/55/42/76/543554276.db2.gz BKWZDJFDYMXRBH-CJNGLKHVSA-N 0 3 295.448 3.013 20 30 CGEDHN COCC#CCN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000678767742 543555141 /nfs/dbraw/zinc/55/51/41/543555141.db2.gz QCSRFZUJBPNSEB-INIZCTEOSA-N 0 3 277.795 3.421 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](CC)c1ccc(Cl)cc1 ZINC000678734262 543551132 /nfs/dbraw/zinc/55/11/32/543551132.db2.gz CRUKQSPJCQEOGW-KGLIPLIRSA-N 0 3 253.773 3.318 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000678794007 543559271 /nfs/dbraw/zinc/55/92/71/543559271.db2.gz CGEDVGBWKMQOHI-KBXCAEBGSA-N 0 3 282.387 3.336 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)CC[C@@H]1C ZINC000076149690 165111040 /nfs/dbraw/zinc/11/10/40/165111040.db2.gz CFHJZSYZWCXLOD-KGLIPLIRSA-N 0 3 288.391 3.066 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C)[C@H]2C)cc1C#N ZINC000087833361 165191653 /nfs/dbraw/zinc/19/16/53/165191653.db2.gz RUXDSQRWWLUTFH-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2cc(C#N)c3ccccc3n2)CCN1C ZINC000090795400 165243179 /nfs/dbraw/zinc/24/31/79/165243179.db2.gz CFDIMVCUVOGHPL-OCCSQVGLSA-N 0 3 280.375 3.001 20 30 CGEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000093868679 165338151 /nfs/dbraw/zinc/33/81/51/165338151.db2.gz VTBQWUUKUZJMHT-SMDDNHRTSA-N 0 3 264.394 3.257 20 30 CGEDHN CO[C@@]1(C)C[C@H](N(C)Cc2cc(C#N)cs2)C1(C)C ZINC000093871905 165340755 /nfs/dbraw/zinc/34/07/55/165340755.db2.gz RVQHWJHXHUITGZ-ZFWWWQNUSA-N 0 3 278.421 3.255 20 30 CGEDHN CN(CCCN(C)Cc1ccc(C#N)cc1)Cc1ccco1 ZINC000285484108 196300244 /nfs/dbraw/zinc/30/02/44/196300244.db2.gz BRPGLTHFDCHVAI-UHFFFAOYSA-N 0 3 297.402 3.105 20 30 CGEDHN C=CCOCCNCc1ccc(Oc2cccnc2)c(C)c1 ZINC000679486757 543640504 /nfs/dbraw/zinc/64/05/04/543640504.db2.gz TUVFGQQUSCWNSO-UHFFFAOYSA-N 0 3 298.386 3.475 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000679576651 543647834 /nfs/dbraw/zinc/64/78/34/543647834.db2.gz QLHCARBYIICLME-NSHDSACASA-N 0 3 289.297 3.438 20 30 CGEDHN C=CCOCCN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000679576758 543648012 /nfs/dbraw/zinc/64/80/12/543648012.db2.gz SPTQSNXMTVBOLO-BLLLJJGKSA-N 0 3 263.356 3.241 20 30 CGEDHN C=CCOCCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000679576171 543648071 /nfs/dbraw/zinc/64/80/71/543648071.db2.gz JVKMSEUYNGQWBW-AWEZNQCLSA-N 0 3 281.783 3.346 20 30 CGEDHN C=CCOCCN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000679769801 543661027 /nfs/dbraw/zinc/66/10/27/543661027.db2.gz MDZUUJBZQRDSMG-OAHLLOKOSA-N 0 3 269.335 3.454 20 30 CGEDHN COCC#CCN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000681471392 543789508 /nfs/dbraw/zinc/78/95/08/543789508.db2.gz YJJIUQBLBKFXHV-KRWDZBQOSA-N 0 3 286.419 3.067 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000347072285 226014901 /nfs/dbraw/zinc/01/49/01/226014901.db2.gz PNZKCURRJOTIMQ-WBMJQRKESA-N 0 3 282.318 3.191 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000347100880 226049677 /nfs/dbraw/zinc/04/96/77/226049677.db2.gz CNTUQORMHLIZLV-DOMZBBRYSA-N 0 3 256.349 3.194 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000347109567 226054597 /nfs/dbraw/zinc/05/45/97/226054597.db2.gz PUJJOQPSVYUJDK-NSHDSACASA-N 0 3 276.767 3.038 20 30 CGEDHN C=CCN1CCC(Nc2nccnc2-c2ccccc2)CC1 ZINC000685269971 544058960 /nfs/dbraw/zinc/05/89/60/544058960.db2.gz LELFJMCTIANYMI-UHFFFAOYSA-N 0 3 294.402 3.206 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(C(F)F)cc2)C1 ZINC000354640492 227054820 /nfs/dbraw/zinc/05/48/20/227054820.db2.gz VJGTUFVRSLUZEI-YPMHNXCESA-N 0 3 250.292 3.406 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000336575910 227128862 /nfs/dbraw/zinc/12/88/62/227128862.db2.gz WLIDRHBYXLPHFA-ZWNOBZJWSA-N 0 3 294.807 3.193 20 30 CGEDHN C[C@@H]1C[C@@H](CN(CCC#N)CC(C)(C)C)CCO1 ZINC000352690401 227161508 /nfs/dbraw/zinc/16/15/08/227161508.db2.gz DTMTULJJHPERRF-KGLIPLIRSA-N 0 3 252.402 3.063 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000659329865 418976838 /nfs/dbraw/zinc/97/68/38/418976838.db2.gz SICCBBPXLLZLGW-CXAGYDPISA-N 0 3 284.403 3.155 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000659017007 418957141 /nfs/dbraw/zinc/95/71/41/418957141.db2.gz CVAWIXRXBFFFHZ-AWEZNQCLSA-N 0 3 299.418 3.152 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H]1COC(C)(C)C1 ZINC000659849446 419010938 /nfs/dbraw/zinc/01/09/38/419010938.db2.gz PBUXXOFGSODJEB-HNNXBMFYSA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCN(CCSc1cccc(OC)c1)C1CC1 ZINC000660169456 419092699 /nfs/dbraw/zinc/09/26/99/419092699.db2.gz IEQXGPBFMJVTJR-UHFFFAOYSA-N 0 3 263.406 3.438 20 30 CGEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000665269840 419096350 /nfs/dbraw/zinc/09/63/50/419096350.db2.gz NSKPPPOMQQUROD-HUUCEWRRSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000665269838 419096490 /nfs/dbraw/zinc/09/64/90/419096490.db2.gz NSKPPPOMQQUROD-CABCVRRESA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCCn1cc(CN(CC)[C@@H]2CCCC[C@H]2C)nn1 ZINC000653632595 419062575 /nfs/dbraw/zinc/06/25/75/419062575.db2.gz ZYRSSMMHZDJIJA-GDBMZVCRSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCN(Cc1ccc(-n2ccnc2)cc1C)[C@H](C)COC ZINC000661240131 419243391 /nfs/dbraw/zinc/24/33/91/419243391.db2.gz MBLGVXWXDYQHPJ-MRXNPFEDSA-N 0 3 299.418 3.204 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H](C(C)C)C2)nn1 ZINC000657353429 419257877 /nfs/dbraw/zinc/25/78/77/419257877.db2.gz NCJQOJSTIKHJBA-HUUCEWRRSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCCCCN[C@H](COC)c1cccc(OC)c1 ZINC000661468165 419262632 /nfs/dbraw/zinc/26/26/32/419262632.db2.gz AXSXVHABUZZLSP-MRXNPFEDSA-N 0 3 263.381 3.329 20 30 CGEDHN CC[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000657387437 419267539 /nfs/dbraw/zinc/26/75/39/419267539.db2.gz PQBOLCFBOXUWRG-HUUCEWRRSA-N 0 3 297.320 3.214 20 30 CGEDHN C=CCOCCN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857193 419203827 /nfs/dbraw/zinc/20/38/27/419203827.db2.gz HSHFUUUGXQCWSN-UHFFFAOYSA-N 0 3 299.418 3.020 20 30 CGEDHN C=CCCn1cc(CNCC2(C)CCCCCC2)nn1 ZINC000657429000 419276907 /nfs/dbraw/zinc/27/69/07/419276907.db2.gz PRQLHLUSCFGRJZ-UHFFFAOYSA-N 0 3 276.428 3.304 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)CCCC(F)(F)F)nn1 ZINC000657445747 419281019 /nfs/dbraw/zinc/28/10/19/419281019.db2.gz ALFIBZLEOZTORW-LLVKDONJSA-N 0 3 290.333 3.065 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(C(F)(F)F)nn1C ZINC000657472946 419287580 /nfs/dbraw/zinc/28/75/80/419287580.db2.gz CJZRWIHJKUTLBI-UHFFFAOYSA-N 0 3 275.318 3.131 20 30 CGEDHN C=CCCn1cc(CN[C@@H](CCC)C2CCCC2)nn1 ZINC000657490291 419291972 /nfs/dbraw/zinc/29/19/72/419291972.db2.gz IDSDEXGXCMMVHC-INIZCTEOSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(C(C)C)nn1 ZINC000657529828 419299653 /nfs/dbraw/zinc/29/96/53/419299653.db2.gz IXEZNFJQTRVTNO-UKRRQHHQSA-N 0 3 262.401 3.084 20 30 CGEDHN C=CCC1(NCc2cc(OC)cc(C)n2)CCCC1 ZINC000661852456 419304921 /nfs/dbraw/zinc/30/49/21/419304921.db2.gz VNBGDRLRCJCDNL-UHFFFAOYSA-N 0 3 260.381 3.377 20 30 CGEDHN C=CCCNCc1cn(-c2ccccc2Cl)nc1C ZINC000657583157 419309371 /nfs/dbraw/zinc/30/93/71/419309371.db2.gz CUXGMBAYJSYJAR-UHFFFAOYSA-N 0 3 275.783 3.500 20 30 CGEDHN C=CCCn1cc(CNC[C@H]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000657589100 419311675 /nfs/dbraw/zinc/31/16/75/419311675.db2.gz FEHZDOYIXYMBFT-FICVDOATSA-N 0 3 276.428 3.016 20 30 CGEDHN N#CCc1ccc(CN2CCC3(CCCC3=O)CC2)cc1 ZINC000661958435 419314820 /nfs/dbraw/zinc/31/48/20/419314820.db2.gz RVNPJDKFIWBFAN-UHFFFAOYSA-N 0 3 282.387 3.088 20 30 CGEDHN C=CCC1(NCc2cccc(F)c2F)CCOCC1 ZINC000657632938 419317519 /nfs/dbraw/zinc/31/75/19/419317519.db2.gz DEYILDWTDDBYSG-UHFFFAOYSA-N 0 3 267.319 3.180 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn2cc(C)ccc2n1 ZINC000662081181 419333117 /nfs/dbraw/zinc/33/31/17/419333117.db2.gz UQRUFEPJCVLOGD-IYBDPMFKSA-N 0 3 267.376 3.326 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn2ccccc2n1 ZINC000662079642 419333157 /nfs/dbraw/zinc/33/31/57/419333157.db2.gz IDOWBLQBDFQQLA-GASCZTMLSA-N 0 3 253.349 3.017 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCC(=O)c1ccc(OC)cc1 ZINC000662090095 419334789 /nfs/dbraw/zinc/33/47/89/419334789.db2.gz IPIITIMKZDCEAD-IYBDPMFKSA-N 0 3 285.387 3.451 20 30 CGEDHN C=CCCC(C)(C)NCc1nn(C)c2ccccc12 ZINC000657805093 419361535 /nfs/dbraw/zinc/36/15/35/419361535.db2.gz JTFKOFXJKOSTBO-UHFFFAOYSA-N 0 3 257.381 3.408 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cc2cnccc2o1 ZINC000657933247 419449861 /nfs/dbraw/zinc/44/98/61/419449861.db2.gz QEMUITAEWANTMO-LBPRGKRZSA-N 0 3 260.337 3.071 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180608174 260106685 /nfs/dbraw/zinc/10/66/85/260106685.db2.gz RSTJCSBDDJNNRF-ZDUSSCGKSA-N 0 3 296.345 3.362 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000447843923 260142831 /nfs/dbraw/zinc/14/28/31/260142831.db2.gz OLKFUYVQHMTOMA-YOEHRIQHSA-N 0 3 291.822 3.317 20 30 CGEDHN C=C(C)[C@@H](NC(=O)[C@@H](CC)N(C)C)c1ccc(F)c(F)c1 ZINC000298126875 260144119 /nfs/dbraw/zinc/14/41/19/260144119.db2.gz BEDRNLCUCHFQCI-HUUCEWRRSA-N 0 3 296.361 3.038 20 30 CGEDHN C=C(C)[C@@H](NC(=O)[C@H](CC)N(C)C)c1ccc(F)c(F)c1 ZINC000298126877 260145187 /nfs/dbraw/zinc/14/51/87/260145187.db2.gz BEDRNLCUCHFQCI-LSDHHAIUSA-N 0 3 296.361 3.038 20 30 CGEDHN N#CCCCN1CCC(Cc2cccc(F)c2)CC1 ZINC000071953310 260274483 /nfs/dbraw/zinc/27/44/83/260274483.db2.gz JXZHRGJALAVOAV-UHFFFAOYSA-N 0 3 260.356 3.384 20 30 CGEDHN N#CCCCNCc1cnc(CCc2ccccc2)s1 ZINC000449235049 260302745 /nfs/dbraw/zinc/30/27/45/260302745.db2.gz SLHYOSHDEVTHGD-UHFFFAOYSA-N 0 3 285.416 3.322 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000090451024 260359401 /nfs/dbraw/zinc/35/94/01/260359401.db2.gz SGFIHSRWEXHOBO-OAHLLOKOSA-N 0 3 285.391 3.116 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000130540387 260397808 /nfs/dbraw/zinc/39/78/08/260397808.db2.gz LWJKPVLCVCGEKD-STQMWFEESA-N 0 3 262.401 3.010 20 30 CGEDHN CN(CCCC(C)(C)C#N)Cc1cc(Cl)cn1C ZINC000120189876 260700718 /nfs/dbraw/zinc/70/07/18/260700718.db2.gz WQKPOASKQSYLIO-UHFFFAOYSA-N 0 3 267.804 3.440 20 30 CGEDHN CC#CCCN1CCC(c2nc3ccccc3o2)CC1 ZINC000155082496 260759467 /nfs/dbraw/zinc/75/94/67/260759467.db2.gz JNCDKLMTSGFQRW-UHFFFAOYSA-N 0 3 268.360 3.421 20 30 CGEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1c(C)noc1C ZINC000248937299 261219005 /nfs/dbraw/zinc/21/90/05/261219005.db2.gz YLGHMOPHDOVXDQ-MCIONIFRSA-N 0 3 261.369 3.415 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)SCCCC)CC1 ZINC000106034787 261320639 /nfs/dbraw/zinc/32/06/39/261320639.db2.gz CUWJEXCOHIPAQP-CQSZACIVSA-N 0 3 298.496 3.065 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000180457883 261424234 /nfs/dbraw/zinc/42/42/34/261424234.db2.gz XEYPUKWZDNUOMM-LBPRGKRZSA-N 0 3 281.421 3.274 20 30 CGEDHN COCc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000185713965 262067824 /nfs/dbraw/zinc/06/78/24/262067824.db2.gz PQXBWSOWOOONQC-IUODEOHRSA-N 0 3 276.355 3.144 20 30 CGEDHN COCc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000185713985 262067863 /nfs/dbraw/zinc/06/78/63/262067863.db2.gz PQXBWSOWOOONQC-DOMZBBRYSA-N 0 3 276.355 3.144 20 30 CGEDHN CN(C)Cc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185727063 262068713 /nfs/dbraw/zinc/06/87/13/262068713.db2.gz QPCHXYOKXSEMMQ-HIFRSBDPSA-N 0 3 257.381 3.242 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000185797891 262071404 /nfs/dbraw/zinc/07/14/04/262071404.db2.gz GFHQTAHPFNLXGO-ZFWWWQNUSA-N 0 3 298.365 3.183 20 30 CGEDHN COc1ccc(F)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000193311443 262220469 /nfs/dbraw/zinc/22/04/69/262220469.db2.gz MJZRNYNOZYTBHU-SMDDNHRTSA-N 0 3 262.328 3.006 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000365252556 262355236 /nfs/dbraw/zinc/35/52/36/262355236.db2.gz CKYDAPXFEPWLBR-RBUKOAKNSA-N 0 3 283.415 3.177 20 30 CGEDHN CC(C)(C#N)CCN(CCO)[C@H]1CCCc2ccccc21 ZINC000272020810 263001333 /nfs/dbraw/zinc/00/13/33/263001333.db2.gz MWSNJCKIVCOVCC-KRWDZBQOSA-N 0 3 286.419 3.298 20 30 CGEDHN CC[C@H](O)CN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000272034157 263001469 /nfs/dbraw/zinc/00/14/69/263001469.db2.gz PQRYVYFYKYVDBU-INIZCTEOSA-N 0 3 274.408 3.199 20 30 CGEDHN N#CCCCNCc1ccc(F)cc1C(F)(F)F ZINC000273068072 263011952 /nfs/dbraw/zinc/01/19/52/263011952.db2.gz NWFZWOKCQHGLLD-UHFFFAOYSA-N 0 3 260.234 3.238 20 30 CGEDHN COc1cc([C@H](C)NCCCC#N)ccc1SC ZINC000273275792 263014631 /nfs/dbraw/zinc/01/46/31/263014631.db2.gz PIXMTFXKWSRNMV-NSHDSACASA-N 0 3 264.394 3.371 20 30 CGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000274611968 263027579 /nfs/dbraw/zinc/02/75/79/263027579.db2.gz KNCMPXPIBGIYPH-YUTCNCBUSA-N 0 3 274.412 3.289 20 30 CGEDHN COc1ccc(F)cc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000274663694 263028992 /nfs/dbraw/zinc/02/89/92/263028992.db2.gz WEFWJPZYTSCHHA-GMXVVIOVSA-N 0 3 262.328 3.177 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000278211359 263045924 /nfs/dbraw/zinc/04/59/24/263045924.db2.gz HSXDLPXSACRCGT-WOSRLPQWSA-N 0 3 297.402 3.304 20 30 CGEDHN CCCCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279498159 263055785 /nfs/dbraw/zinc/05/57/85/263055785.db2.gz QCXVXAOBACHEMU-PBHICJAKSA-N 0 3 297.402 3.326 20 30 CGEDHN CN(C)c1ccc(CNCCCC#N)c(C(F)(F)F)c1 ZINC000280263338 263060040 /nfs/dbraw/zinc/06/00/40/263060040.db2.gz LMCFYGWEKWOEIC-UHFFFAOYSA-N 0 3 285.313 3.165 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000340069349 263065682 /nfs/dbraw/zinc/06/56/82/263065682.db2.gz LAQIZKVMIGFMDZ-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN COC(=O)c1coc([C@H](C)NCC2CCC(C#N)CC2)c1 ZINC000282415430 263076491 /nfs/dbraw/zinc/07/64/91/263076491.db2.gz SJDSWZREILSICU-HIFPTAJRSA-N 0 3 290.363 3.047 20 30 CGEDHN Cc1cnccc1OC1CCN(CCC(C)(C)C#N)CC1 ZINC000289403128 263109968 /nfs/dbraw/zinc/10/99/68/263109968.db2.gz OIPYGKYAXXSCJP-UHFFFAOYSA-N 0 3 287.407 3.173 20 30 CGEDHN C[C@@H]1Oc2ccccc2[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 ZINC000290280836 263115809 /nfs/dbraw/zinc/11/58/09/263115809.db2.gz ZALFYWNNLJEDTG-BCUIYNNISA-N 0 3 256.349 3.181 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000293229373 263138775 /nfs/dbraw/zinc/13/87/75/263138775.db2.gz VWOVECYTQBBSMK-XNRPHZJLSA-N 0 3 258.340 3.307 20 30 CGEDHN CC(C)(CCC#N)CNCc1cc(F)cnc1Cl ZINC000295103576 263172317 /nfs/dbraw/zinc/17/23/17/263172317.db2.gz KSTIACUURSVTKB-UHFFFAOYSA-N 0 3 269.751 3.294 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000353569672 263173710 /nfs/dbraw/zinc/17/37/10/263173710.db2.gz RRWOLRCSQGRPMH-ZFWWWQNUSA-N 0 3 293.407 3.072 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000353569670 263173804 /nfs/dbraw/zinc/17/38/04/263173804.db2.gz RRWOLRCSQGRPMH-UKRRQHHQSA-N 0 3 293.407 3.072 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(F)(c3ccccn3)CC2)C1 ZINC000295265624 263175406 /nfs/dbraw/zinc/17/54/06/263175406.db2.gz HISYZPQOLNMWRS-KGLIPLIRSA-N 0 3 273.355 3.034 20 30 CGEDHN COc1ccc(CN[C@@H]2CC2(C)C)cc1OCCCC#N ZINC000299444928 263242252 /nfs/dbraw/zinc/24/22/52/263242252.db2.gz LAHWVVIABKHESO-MRXNPFEDSA-N 0 3 288.391 3.266 20 30 CGEDHN COc1cc(C)c([C@@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000299561596 263247635 /nfs/dbraw/zinc/24/76/35/263247635.db2.gz GUFDTUQQDZRQOY-QWHCGFSZSA-N 0 3 276.380 3.355 20 30 CGEDHN C=C(CNCc1ccc2c(c1)ncn2C)c1ccccc1 ZINC000341165647 263324813 /nfs/dbraw/zinc/32/48/13/263324813.db2.gz GNAQSWGHRJNXJY-UHFFFAOYSA-N 0 3 277.371 3.376 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341865289 263356956 /nfs/dbraw/zinc/35/69/56/263356956.db2.gz FWEXOCYGHXQIHF-AWEZNQCLSA-N 0 3 293.370 3.008 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc2ccccc2o1 ZINC000341876370 263361554 /nfs/dbraw/zinc/36/15/54/263361554.db2.gz JMDSQEXUYIBEQN-CHWSQXEVSA-N 0 3 259.349 3.268 20 30 CGEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000341891695 263364359 /nfs/dbraw/zinc/36/43/59/263364359.db2.gz VOLUBCJUXXGWTD-WFASDCNBSA-N 0 3 295.810 3.328 20 30 CGEDHN COCC1(C#N)CCN(CCC2CCCCC2)CC1 ZINC000342026993 263380432 /nfs/dbraw/zinc/38/04/32/263380432.db2.gz XDLOQDPSSRQNFL-UHFFFAOYSA-N 0 3 264.413 3.209 20 30 CGEDHN N#CCC[C@@H](NC[C@H]1CCCOC1)c1ccccc1 ZINC000342202570 263406578 /nfs/dbraw/zinc/40/65/78/263406578.db2.gz KGFJADXJJUFNRR-GDBMZVCRSA-N 0 3 258.365 3.048 20 30 CGEDHN C=CCN1CCC(Nc2nccc(C)c2Cl)CC1 ZINC000342226263 263411985 /nfs/dbraw/zinc/41/19/85/263411985.db2.gz GTPQSHATLDRJJD-UHFFFAOYSA-N 0 3 265.788 3.106 20 30 CGEDHN CC[C@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331323160 264189671 /nfs/dbraw/zinc/18/96/71/264189671.db2.gz FOBJGDNNJHYIPU-MRXNPFEDSA-N 0 3 285.391 3.279 20 30 CGEDHN CO[C@@]1(C)C[C@@H](N(C)CCC(C)(C)C#N)C1(C)C ZINC000345706043 265097844 /nfs/dbraw/zinc/09/78/44/265097844.db2.gz FUVFOQKNEGLJDF-DOMZBBRYSA-N 0 3 252.402 3.062 20 30 CGEDHN C=C(C)CN(Cc1c[nH]c2nccnc12)Cc1ccccc1 ZINC000356381776 266105518 /nfs/dbraw/zinc/10/55/18/266105518.db2.gz AVESHKDZKWEQNO-UHFFFAOYSA-N 0 3 292.386 3.488 20 30 CGEDHN CC[C@H]1C[C@@H](CN(CCC#N)CC(C)(C)C)CCO1 ZINC000356998922 266228442 /nfs/dbraw/zinc/22/84/42/266228442.db2.gz UOKOVFNFUJFGBZ-GJZGRUSLSA-N 0 3 266.429 3.453 20 30 CGEDHN CCC(C)(C)C1CCC(NC(=O)C(C)C#N)CC1 ZINC000357814475 266370919 /nfs/dbraw/zinc/37/09/19/266370919.db2.gz GJIXXVUWCXMHJN-PNESKVBLSA-N 0 3 250.386 3.257 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000357842560 266375781 /nfs/dbraw/zinc/37/57/81/266375781.db2.gz WHYZHKJBAZQADK-GFCCVEGCSA-N 0 3 298.317 3.394 20 30 CGEDHN C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000528001160 270150160 /nfs/dbraw/zinc/15/01/60/270150160.db2.gz HVVBUTMAXNUJKA-VZTWBHMWSA-N 0 3 276.355 3.160 20 30 CGEDHN CN1CC[C@@H](NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000368057043 267142944 /nfs/dbraw/zinc/14/29/44/267142944.db2.gz TYLWMZSARMMLAM-HUUCEWRRSA-N 0 3 295.789 3.118 20 30 CGEDHN C[C@H]1C[C@H](NCC2(C#N)CCC2)CN(Cc2ccccc2)C1 ZINC000418141773 267364273 /nfs/dbraw/zinc/36/42/73/267364273.db2.gz LSPKQQIDJPNLKK-WMZOPIPTSA-N 0 3 297.446 3.180 20 30 CGEDHN CS[C@@H](C)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352807820 274179342 /nfs/dbraw/zinc/17/93/42/274179342.db2.gz ALONHAFGSIGIHD-VIFPVBQESA-N 0 3 288.338 3.418 20 30 CGEDHN CC1(C)CCC[C@@H](CNCc2nc(C#N)cs2)C1 ZINC000449747849 275817393 /nfs/dbraw/zinc/81/73/93/275817393.db2.gz KPOJGNYRMYWWGR-LLVKDONJSA-N 0 3 263.410 3.321 20 30 CGEDHN CCC[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000419316985 276025700 /nfs/dbraw/zinc/02/57/00/276025700.db2.gz RGMHGYKCMLYAPE-SJORKVTESA-N 0 3 299.418 3.033 20 30 CGEDHN CCC[C@@]1(CO)CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000288899708 276036977 /nfs/dbraw/zinc/03/69/77/276036977.db2.gz SMCGGPZADUYIHW-WMLDXEAASA-N 0 3 272.392 3.104 20 30 CGEDHN COc1cc(CNCc2c(C)cccc2C)ccc1C#N ZINC000353246899 277818573 /nfs/dbraw/zinc/81/85/73/277818573.db2.gz HJWJERLKINIHCU-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000020121199 278378679 /nfs/dbraw/zinc/37/86/79/278378679.db2.gz NAZVKCGZZNWDEU-CHWSQXEVSA-N 0 3 251.333 3.365 20 30 CGEDHN C[C@@H](N[C@H]1COc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000271970985 278389025 /nfs/dbraw/zinc/38/90/25/278389025.db2.gz ULFDCVWLESTRSO-MLGOLLRUSA-N 0 3 296.345 3.352 20 30 CGEDHN CC[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(C#N)cc1 ZINC000278157093 288069005 /nfs/dbraw/zinc/06/90/05/288069005.db2.gz AXIAPCACSZZSOO-DLBZAZTESA-N 0 3 294.402 3.410 20 30 CGEDHN C[C@@H]1N(CC#Cc2ccc(F)cc2)CCC12CCOCC2 ZINC000335997489 279024979 /nfs/dbraw/zinc/02/49/79/279024979.db2.gz IMQJVPWMAIAKBK-HNNXBMFYSA-N 0 3 287.378 3.068 20 30 CGEDHN CCN1CCN(Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000352669214 279363630 /nfs/dbraw/zinc/36/36/30/279363630.db2.gz YBBMBAHJRDKGPP-OAHLLOKOSA-N 0 3 285.435 3.014 20 30 CGEDHN COC[C@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000540975904 288680453 /nfs/dbraw/zinc/68/04/53/288680453.db2.gz MZZDQAZMUULEDZ-ABAIWWIYSA-N 0 3 264.344 3.019 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(CC)CC ZINC000554364892 289275963 /nfs/dbraw/zinc/27/59/63/289275963.db2.gz RISCFGDDZRJLEL-HZPDHXFCSA-N 0 3 287.407 3.027 20 30 CGEDHN N#CC1(NC(=O)[C@H](C2CC2)N2CCCC2)CCCCC1 ZINC000329856052 294779436 /nfs/dbraw/zinc/77/94/36/294779436.db2.gz UMNAHSOUSHETAT-AWEZNQCLSA-N 0 3 275.396 3.044 20 30 CGEDHN N#CC1(CCN2CCS[C@H]3COCC[C@H]32)CCCCC1 ZINC000334562564 303141512 /nfs/dbraw/zinc/14/15/12/303141512.db2.gz MZQCRBKNIPQMHP-CABCVRRESA-N 0 3 294.464 3.057 20 30 CGEDHN N#Cc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000246138725 303190996 /nfs/dbraw/zinc/19/09/96/303190996.db2.gz NKZWETIZZBGGKX-CVEARBPZSA-N 0 3 272.417 3.418 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000580147435 327710763 /nfs/dbraw/zinc/71/07/63/327710763.db2.gz RSSZZGHCXAVTHG-UKRRQHHQSA-N 0 3 299.374 3.199 20 30 CGEDHN C=CC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412582426 328112679 /nfs/dbraw/zinc/11/26/79/328112679.db2.gz SMMZJOLNKPHKFV-UHFFFAOYSA-N 0 3 264.344 3.038 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](O)c2c(F)cccc2Cl)C1 ZINC000274207781 328209524 /nfs/dbraw/zinc/20/95/24/328209524.db2.gz MXTMCHJECIBNQY-JTNHKYCSSA-N 0 3 296.773 3.184 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274243302 328210144 /nfs/dbraw/zinc/21/01/44/328210144.db2.gz WVXGUSFGJSZIGK-HUUCEWRRSA-N 0 3 258.365 3.257 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000278527821 328226107 /nfs/dbraw/zinc/22/61/07/328226107.db2.gz DMQREWCPHJNOLC-RHSMWYFYSA-N 0 3 282.387 3.274 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)CC(C)(C)C#N)c1 ZINC000278627121 328228654 /nfs/dbraw/zinc/22/86/54/328228654.db2.gz XUOYVHWBOGDLDB-UHFFFAOYSA-N 0 3 287.407 3.407 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2ccccn2)c1 ZINC000566596025 322130698 /nfs/dbraw/zinc/13/06/98/322130698.db2.gz VOHUTLKTIPCLFW-SFHVURJKSA-N 0 3 293.370 3.169 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000567052789 322148625 /nfs/dbraw/zinc/14/86/25/322148625.db2.gz JPPCWZVOXHAACT-UHFFFAOYSA-N 0 3 287.363 3.477 20 30 CGEDHN CC(C)CC[C@@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000567111612 322150675 /nfs/dbraw/zinc/15/06/75/322150675.db2.gz PGUWODHOKYQZMC-INIZCTEOSA-N 0 3 297.406 3.002 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CCCC3)C2)nc1 ZINC000569351670 322244611 /nfs/dbraw/zinc/24/46/11/322244611.db2.gz LADSTJPTPOZDCP-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN Cc1nc(N[C@H]2CN(C(C)C)C[C@@H]2C)c(Cl)cc1C#N ZINC000573380709 322385096 /nfs/dbraw/zinc/38/50/96/322385096.db2.gz HYIXWENEORXHHL-HZMBPMFUSA-N 0 3 292.814 3.056 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000573448742 322388082 /nfs/dbraw/zinc/38/80/82/322388082.db2.gz JWUMAEQUUAYKFR-DAXOMENPSA-N 0 3 299.374 3.477 20 30 CGEDHN C=CCOc1ccccc1CNCCOC1CCCC1 ZINC000070168018 328444053 /nfs/dbraw/zinc/44/40/53/328444053.db2.gz UFPNBANYXMYOBC-UHFFFAOYSA-N 0 3 275.392 3.300 20 30 CGEDHN CC(C)(C)c1ncc(CNCC(C)(C)CCC#N)cn1 ZINC000563777757 328515685 /nfs/dbraw/zinc/51/56/85/328515685.db2.gz KYPHVEYICOYWHS-UHFFFAOYSA-N 0 3 274.412 3.194 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000289559902 328527170 /nfs/dbraw/zinc/52/71/70/328527170.db2.gz AHWLFNKIIVQKMI-DGCLKSJQSA-N 0 3 283.799 3.325 20 30 CGEDHN N#CCCCCNCc1cc(F)ccc1Br ZINC000049578464 326974349 /nfs/dbraw/zinc/97/43/49/326974349.db2.gz WRMHUZYLRJKWOI-UHFFFAOYSA-N 0 3 285.160 3.372 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000090883675 327101703 /nfs/dbraw/zinc/10/17/03/327101703.db2.gz DXUPWEKFMPZQFJ-HNNXBMFYSA-N 0 3 285.391 3.116 20 30 CGEDHN C=CCN(CCCSCC#N)Cc1ccc(OC)cc1 ZINC000074982043 327122738 /nfs/dbraw/zinc/12/27/38/327122738.db2.gz QYKGOJOQNGFQDX-UHFFFAOYSA-N 0 3 290.432 3.330 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000313484043 327133205 /nfs/dbraw/zinc/13/32/05/327133205.db2.gz NXILVOVGBOYJIJ-CYBMUJFWSA-N 0 3 261.365 3.465 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@]3(C2)CCc2ccccc2O3)C1 ZINC000559247788 327150218 /nfs/dbraw/zinc/15/02/18/327150218.db2.gz IMVYCKNUMKSHFP-QGPMSJSTSA-N 0 3 282.387 3.148 20 30 CGEDHN C=CCOCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000559266863 327152408 /nfs/dbraw/zinc/15/24/08/327152408.db2.gz HERUAJBAQOOONA-CQSZACIVSA-N 0 3 265.784 3.332 20 30 CGEDHN CC#CCN(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000159421015 327184166 /nfs/dbraw/zinc/18/41/66/327184166.db2.gz PCQCJMXERAISKO-UHFFFAOYSA-N 0 3 299.393 3.114 20 30 CGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000150903037 327397018 /nfs/dbraw/zinc/39/70/18/327397018.db2.gz UCRJLZWNTCPBPP-RDJZCZTQSA-N 0 3 293.455 3.108 20 30 CGEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@@H]1C1CC1 ZINC000427576035 327397787 /nfs/dbraw/zinc/39/77/87/327397787.db2.gz ZCVQBGZAKZLENI-IAGOWNOFSA-N 0 3 296.414 3.406 20 30 CGEDHN C=C[C@@H](C)N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358745456 328893321 /nfs/dbraw/zinc/89/33/21/328893321.db2.gz DZUYNIIAEVQZHI-CZUORRHYSA-N 0 3 267.376 3.414 20 30 CGEDHN C=CC[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169087611 329063749 /nfs/dbraw/zinc/06/37/49/329063749.db2.gz LMETVINXDLMDHY-VIFPVBQESA-N 0 3 255.745 3.108 20 30 CGEDHN C=CC[C@@H](C)N[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000180949362 329224266 /nfs/dbraw/zinc/22/42/66/329224266.db2.gz QNYGAXFRCCEJMC-VXGBXAGGSA-N 0 3 288.370 3.330 20 30 CGEDHN N#Cc1ccc(CN[C@@H](CO)C2CCCCC2)c(Cl)c1 ZINC000395289430 329285959 /nfs/dbraw/zinc/28/59/59/329285959.db2.gz MFNOSWAVUBUEOQ-INIZCTEOSA-N 0 3 292.810 3.242 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3c(c2)OCCCO3)C1 ZINC000185811800 329329472 /nfs/dbraw/zinc/32/94/72/329329472.db2.gz CGLHYSPTWOGPOI-HIFRSBDPSA-N 0 3 286.375 3.020 20 30 CGEDHN CO[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000185848053 329333325 /nfs/dbraw/zinc/33/33/25/329333325.db2.gz YNQWOLUKTUPRFG-MAZHCROVSA-N 0 3 276.355 3.185 20 30 CGEDHN COc1cccc(C2CCN(CCCC#N)CC2)c1 ZINC000194880317 329689401 /nfs/dbraw/zinc/68/94/01/329689401.db2.gz UXKKYDOCIXPLOX-UHFFFAOYSA-N 0 3 258.365 3.178 20 30 CGEDHN C=CCCCCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000572423119 330070907 /nfs/dbraw/zinc/07/09/07/330070907.db2.gz RKQUYQTZPJSGFD-MRXNPFEDSA-N 0 3 278.440 3.256 20 30 CGEDHN C[C@]1(CCCO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000272066894 330084774 /nfs/dbraw/zinc/08/47/74/330084774.db2.gz YAQLHONOUJIHGL-QGZVFWFLSA-N 0 3 291.822 3.319 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccncc1Cl ZINC000421860474 330097928 /nfs/dbraw/zinc/09/79/28/330097928.db2.gz TZZZUWFFFUFLMU-WOPDTQHZSA-N 0 3 263.772 3.468 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(OCC)c(OC)cc1F ZINC000527661723 330273624 /nfs/dbraw/zinc/27/36/24/330273624.db2.gz NBCPWGAWSLCQCQ-LLVKDONJSA-N 0 3 267.344 3.287 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2ccccn2)C2CCC2)C1 ZINC000527962653 330300836 /nfs/dbraw/zinc/30/08/36/330300836.db2.gz HFIPVFZXHSQXSJ-XPKDYRNWSA-N 0 3 255.365 3.205 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](CCC(C)C)C2)nn1 ZINC000424166381 330309320 /nfs/dbraw/zinc/30/93/20/330309320.db2.gz AXDWOTNVZXDSMO-HUUCEWRRSA-N 0 3 276.428 3.159 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(F)cc(C)cc1F ZINC000424190514 330321081 /nfs/dbraw/zinc/32/10/81/330321081.db2.gz MMYVGMHUPAPXKD-BLLLJJGKSA-N 0 3 281.346 3.344 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(F)cc(C)cc1F ZINC000424190524 330322950 /nfs/dbraw/zinc/32/29/50/330322950.db2.gz MMYVGMHUPAPXKD-WBMJQRKESA-N 0 3 281.346 3.344 20 30 CGEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[C@H](C#N)C1 ZINC000424197245 330325691 /nfs/dbraw/zinc/32/56/91/330325691.db2.gz NULAKFUQEGZUQO-CEOLHISLSA-N 0 3 285.347 3.280 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000424318106 330339762 /nfs/dbraw/zinc/33/97/62/330339762.db2.gz CNIVVNKDUSCKHU-PEYYIBSZSA-N 0 3 258.340 3.485 20 30 CGEDHN Cc1nc2c(s1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000424323393 330340616 /nfs/dbraw/zinc/34/06/16/330340616.db2.gz JALIPDGTIAYEKE-DMDPSCGWSA-N 0 3 261.394 3.111 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC1CCCCC1 ZINC000533222612 330353584 /nfs/dbraw/zinc/35/35/84/330353584.db2.gz IGTHXGVEKRWHFY-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(CC)CN(Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000536892017 330363438 /nfs/dbraw/zinc/36/34/38/330363438.db2.gz BDXRDODAZFITEC-OAHLLOKOSA-N 0 3 275.392 3.264 20 30 CGEDHN C=C(C)COCCN[C@H](CC(C)C)c1ccccn1 ZINC000090451181 330392523 /nfs/dbraw/zinc/39/25/23/330392523.db2.gz NHOVGIZKZGMZQD-MRXNPFEDSA-N 0 3 262.397 3.351 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(-n2ccnc2)cc1 ZINC000430746415 330572544 /nfs/dbraw/zinc/57/25/44/330572544.db2.gz QMWGHIMVKMZELQ-AWEZNQCLSA-N 0 3 280.375 3.217 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)COC2 ZINC000430744975 330572649 /nfs/dbraw/zinc/57/26/49/330572649.db2.gz XBOKLZLGKZVMEL-GFCCVEGCSA-N 0 3 256.349 3.061 20 30 CGEDHN C=CCSCCNCc1c[nH]nc1-c1ccsc1 ZINC000436235523 330671260 /nfs/dbraw/zinc/67/12/60/330671260.db2.gz ZSVXZCAWKAENGH-UHFFFAOYSA-N 0 3 279.434 3.147 20 30 CGEDHN CO[C@H]1CCCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000441256771 330764195 /nfs/dbraw/zinc/76/41/95/330764195.db2.gz HFPKANNFRBUHGA-HOTGVXAUSA-N 0 3 277.795 3.239 20 30 CGEDHN N#C[C@@H]1CC[C@H](NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000442647821 330778185 /nfs/dbraw/zinc/77/81/85/330778185.db2.gz MAFHYEIEDFUBQU-OWCLPIDISA-N 0 3 287.407 3.088 20 30 CGEDHN Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)c(OCCN(C)C)c1 ZINC000442864008 330788298 /nfs/dbraw/zinc/78/82/98/330788298.db2.gz YGKXVRJFPIQWLO-CABCVRRESA-N 0 3 287.407 3.040 20 30 CGEDHN CCCNc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442865809 330788486 /nfs/dbraw/zinc/78/84/86/330788486.db2.gz UVTCXRIQKSDUBY-GDBMZVCRSA-N 0 3 257.381 3.290 20 30 CGEDHN Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(CN(C)C)c1 ZINC000442881705 330790299 /nfs/dbraw/zinc/79/02/99/330790299.db2.gz NOGXBMPSKXCWDM-DZGCQCFKSA-N 0 3 257.381 3.161 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc(Cl)c(F)c2)C1 ZINC000449483817 330929730 /nfs/dbraw/zinc/92/97/30/330929730.db2.gz CLMFPQZQHUMKNU-GHMZBOCLSA-N 0 3 282.746 3.140 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2CCCO[C@H]2C=C)c1 ZINC000449548464 330935673 /nfs/dbraw/zinc/93/56/73/330935673.db2.gz NODCCRVMAYRKAM-SJORKVTESA-N 0 3 273.376 3.075 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449548694 330935858 /nfs/dbraw/zinc/93/58/58/330935858.db2.gz PTOUUNITGYZSHW-UPJWGTAASA-N 0 3 297.320 3.414 20 30 CGEDHN N#CC1(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CCC1 ZINC000450892976 331005218 /nfs/dbraw/zinc/00/52/18/331005218.db2.gz GAJQYDWQNYLDHW-ARFHVFGLSA-N 0 3 276.424 3.086 20 30 CGEDHN N#CC1(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CCC1 ZINC000450892978 331005326 /nfs/dbraw/zinc/00/53/26/331005326.db2.gz GAJQYDWQNYLDHW-BZUAXINKSA-N 0 3 276.424 3.086 20 30 CGEDHN N#CC1(F)CCN(CC/C=C\c2ccccc2)CC1 ZINC000450978266 331009738 /nfs/dbraw/zinc/00/97/38/331009738.db2.gz XVJPBSPIBNXBOB-YWEYNIOJSA-N 0 3 258.340 3.418 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@]3(CCOC3)C2)c1 ZINC000451908728 331047114 /nfs/dbraw/zinc/04/71/14/331047114.db2.gz WQMXXFSRRWIGAT-KRWDZBQOSA-N 0 3 289.806 3.194 20 30 CGEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cn[nH]c1 ZINC000453224449 331103497 /nfs/dbraw/zinc/10/34/97/331103497.db2.gz AWTBJXXOIBLLSM-CJNGLKHVSA-N 0 3 268.364 3.495 20 30 CGEDHN C=C(C)CCN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000453329723 331117548 /nfs/dbraw/zinc/11/75/48/331117548.db2.gz XQRVIHOSZYPXEX-CYBMUJFWSA-N 0 3 270.380 3.193 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000453330938 331117666 /nfs/dbraw/zinc/11/76/66/331117666.db2.gz BQIGPULFTQALNG-CFVMTHIKSA-N 0 3 291.391 3.088 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1OCC ZINC000453347008 331120011 /nfs/dbraw/zinc/12/00/11/331120011.db2.gz GWRWCGVKVPACQC-CFVMTHIKSA-N 0 3 261.365 3.079 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](CC)c1ccc(F)cc1F ZINC000453352184 331120863 /nfs/dbraw/zinc/12/08/63/331120863.db2.gz KZNCCEXNOSDJFE-DOMZBBRYSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(CC)CN[C@H]1CCCOc2ccc(OC)cc21 ZINC000453353410 331121066 /nfs/dbraw/zinc/12/10/66/331121066.db2.gz JCDYDMRYMZBIHI-HNNXBMFYSA-N 0 3 261.365 3.465 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnn(C(C)C)c1C ZINC000453376867 331125008 /nfs/dbraw/zinc/12/50/08/331125008.db2.gz YEQUYWPEZYKDPG-MAZHCROVSA-N 0 3 277.412 3.157 20 30 CGEDHN C=C(CC)CN[C@H](C)c1sc(CCOC)nc1C ZINC000453380616 331125722 /nfs/dbraw/zinc/12/57/22/331125722.db2.gz WSKVLYPNCUORAX-LLVKDONJSA-N 0 3 268.426 3.257 20 30 CGEDHN Cc1csc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000456137441 331185254 /nfs/dbraw/zinc/18/52/54/331185254.db2.gz XIWUKTJWQHHTOB-HNNXBMFYSA-N 0 3 298.411 3.445 20 30 CGEDHN CC(C)C[C@@H]1C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000458011248 331240703 /nfs/dbraw/zinc/24/07/03/331240703.db2.gz XWLNWPAAEWCLFD-BRWVUGGUSA-N 0 3 284.403 3.310 20 30 CGEDHN C=C(CNCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000459392444 331279765 /nfs/dbraw/zinc/27/97/65/331279765.db2.gz WKOBRZGPNIJPLI-UHFFFAOYSA-N 0 3 265.360 3.157 20 30 CGEDHN Cc1ccccc1-n1nccc1CNCC(C)(C)CC#N ZINC000459726309 331296044 /nfs/dbraw/zinc/29/60/44/331296044.db2.gz DXWWXDXGUJNMCZ-UHFFFAOYSA-N 0 3 282.391 3.210 20 30 CGEDHN CC(C)c1ncc(CNCC(C)(C)CC#N)s1 ZINC000459730106 331296324 /nfs/dbraw/zinc/29/63/24/331296324.db2.gz LKEUDGXDJFOGJC-UHFFFAOYSA-N 0 3 251.399 3.296 20 30 CGEDHN C=CCC[C@H](CC)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462878387 331333762 /nfs/dbraw/zinc/33/37/62/331333762.db2.gz RSCKGOOUQDHHOE-FUHWJXTLSA-N 0 3 288.435 3.410 20 30 CGEDHN C=C(C)[C@@H](NCC1(O)CCCC1)c1ccc(F)c(F)c1 ZINC000481603198 331810235 /nfs/dbraw/zinc/81/02/35/331810235.db2.gz HWUNSSPBGYIHPO-OAHLLOKOSA-N 0 3 281.346 3.477 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1cccc(-n2cccn2)c1 ZINC000489437877 332052411 /nfs/dbraw/zinc/05/24/11/332052411.db2.gz WWGXADISKKFGCF-INIZCTEOSA-N 0 3 267.376 3.413 20 30 CGEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000491450533 332213195 /nfs/dbraw/zinc/21/31/95/332213195.db2.gz AXQNXVGGDQAVSG-SNVBAGLBSA-N 0 3 299.201 3.276 20 30 CGEDHN C#C[C@H](NC(=N)Nc1ccccn1)c1ccc(Cl)cc1 ZINC000491526181 332230588 /nfs/dbraw/zinc/23/05/88/332230588.db2.gz XWKBEPJDZJGUDF-ZDUSSCGKSA-N 0 3 284.750 3.046 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(OCc2ccncc2)cc1 ZINC000491621152 332246693 /nfs/dbraw/zinc/24/66/93/332246693.db2.gz CVICTJYJKBROOS-HNNXBMFYSA-N 0 3 280.371 3.114 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccc(/C=C/C)cc2)CC1 ZINC000491661550 332271331 /nfs/dbraw/zinc/27/13/31/332271331.db2.gz PBVFEHYYMVFBMG-HWKANZROSA-N 0 3 282.387 3.003 20 30 CGEDHN C=CCN(CCOC)CCc1ccc(F)cc1Cl ZINC000575376513 335099050 /nfs/dbraw/zinc/09/90/50/335099050.db2.gz TXGCUCRGGRTVAN-UHFFFAOYSA-N 0 3 271.763 3.156 20 30 CGEDHN C=C(CC)CN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496832530 332561706 /nfs/dbraw/zinc/56/17/06/332561706.db2.gz HXAMKHJNFMVMFU-UHFFFAOYSA-N 0 3 294.439 3.428 20 30 CGEDHN C[C@H]1CSC[C@@H]1NCC#Cc1ccccc1Cl ZINC000512176049 332956108 /nfs/dbraw/zinc/95/61/08/332956108.db2.gz AVKJNAHJRFYCIM-FZMZJTMJSA-N 0 3 265.809 3.033 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@@H](CCC)CCCC)CC1 ZINC000175742479 333031502 /nfs/dbraw/zinc/03/15/02/333031502.db2.gz NOAHQWAITHEWLI-HNNXBMFYSA-N 0 3 295.471 3.295 20 30 CGEDHN C=CCCOCCNCc1cccc(SCC)c1 ZINC000185609399 333144974 /nfs/dbraw/zinc/14/49/74/333144974.db2.gz FPSBMZMDMNCBOV-UHFFFAOYSA-N 0 3 265.422 3.481 20 30 CGEDHN C=CCNC(=O)[C@H](C)N(CC)C[C@H](CC)c1ccccc1 ZINC000186623199 333163876 /nfs/dbraw/zinc/16/38/76/333163876.db2.gz XBNUKKOZEINMTB-HOTGVXAUSA-N 0 3 288.435 3.193 20 30 CGEDHN CN1CCN(CCCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000227841711 333289139 /nfs/dbraw/zinc/28/91/39/333289139.db2.gz JSNNGACXMPIELU-KRWDZBQOSA-N 0 3 285.435 3.305 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000250212512 333303512 /nfs/dbraw/zinc/30/35/12/333303512.db2.gz PGDCEWONMOLSMY-FUHWJXTLSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CS[C@@H](C)C1 ZINC000397731151 333427917 /nfs/dbraw/zinc/42/79/17/333427917.db2.gz AFDOIBBBOAGPDD-GXTWGEPZSA-N 0 3 263.406 3.235 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cc2c(s1)CCC2 ZINC000537956164 333550585 /nfs/dbraw/zinc/55/05/85/333550585.db2.gz CQONDHVCUVVIGO-LBPRGKRZSA-N 0 3 265.422 3.480 20 30 CGEDHN Cc1nn(C(C)(C)C)c(C)c1CN1CCC(CC#N)CC1 ZINC000541922020 333801048 /nfs/dbraw/zinc/80/10/48/333801048.db2.gz ZYKSTNZYYCKDMQ-UHFFFAOYSA-N 0 3 288.439 3.381 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)o2)C1(CC)CC ZINC000175037623 335171687 /nfs/dbraw/zinc/17/16/87/335171687.db2.gz FRDLSFFQCWPOJW-LSDHHAIUSA-N 0 3 276.380 3.225 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000135268360 334122782 /nfs/dbraw/zinc/12/27/82/334122782.db2.gz HNQBAQLIJSCXJX-SNVBAGLBSA-N 0 3 257.255 3.259 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000246696656 334267450 /nfs/dbraw/zinc/26/74/50/334267450.db2.gz AQZVOSSQFAJSKQ-ZNMIVQPWSA-N 0 3 278.440 3.062 20 30 CGEDHN C=CCOc1cccc(CN2CCCO[C@@H](C(C)C)C2)c1 ZINC000552444262 334327921 /nfs/dbraw/zinc/32/79/21/334327921.db2.gz ZTLPKHMUVOERDD-GOSISDBHSA-N 0 3 289.419 3.498 20 30 CGEDHN C[C@H](CCc1c(F)cccc1F)NC[C@H](C)C#N ZINC000555321046 334474413 /nfs/dbraw/zinc/47/44/13/334474413.db2.gz MBQAHBBNRMVAOA-GHMZBOCLSA-N 0 3 252.308 3.035 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000577048264 335289695 /nfs/dbraw/zinc/28/96/95/335289695.db2.gz RQSXVFDWDWHXEW-CJNGLKHVSA-N 0 3 297.402 3.207 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccc(F)c(F)c2)s1 ZINC000176965383 335348327 /nfs/dbraw/zinc/34/83/27/335348327.db2.gz XTLIQZOBRXWYMT-UHFFFAOYSA-N 0 3 294.326 3.067 20 30 CGEDHN CCc1ccc([C@@H]2CCN(Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000577520767 335364121 /nfs/dbraw/zinc/36/41/21/335364121.db2.gz TXCSANLDLBNTSI-GOSISDBHSA-N 0 3 293.414 3.449 20 30 CGEDHN N#Cc1csc(CNCc2ccccc2-n2ccnc2)c1 ZINC000177689866 335379040 /nfs/dbraw/zinc/37/90/40/335379040.db2.gz GRCDYSAZOJBVBK-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN Cc1ccccc1OCCCNCc1cc(C#N)cs1 ZINC000177697304 335379861 /nfs/dbraw/zinc/37/98/61/335379861.db2.gz PLCCGADOFYWXMQ-UHFFFAOYSA-N 0 3 286.400 3.487 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](CC)OC)cc1Cl ZINC000577989915 335449443 /nfs/dbraw/zinc/44/94/43/335449443.db2.gz YSCSFDYSNPVNDR-CYBMUJFWSA-N 0 3 283.799 3.419 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000349428999 335467296 /nfs/dbraw/zinc/46/72/96/335467296.db2.gz PIYIKWJAXNMYBY-OSAQELSMSA-N 0 3 274.339 3.321 20 30 CGEDHN CCCn1ccc(CNCc2ccc(CC#N)cc2)c1 ZINC000581725654 336138051 /nfs/dbraw/zinc/13/80/51/336138051.db2.gz ASKZBZMRLKQXLG-UHFFFAOYSA-N 0 3 267.376 3.254 20 30 CGEDHN C[C@H]1CC[C@@]2(CCN(Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000368086552 533731095 /nfs/dbraw/zinc/73/10/95/533731095.db2.gz QNXACZFPALAVCL-KBXCAEBGSA-N 0 3 294.402 3.218 20 30 CGEDHN C[C@@H]1OCC[C@@]1(C)NCc1cccc(OCCCC#N)c1 ZINC000344387983 534187423 /nfs/dbraw/zinc/18/74/23/534187423.db2.gz FLILSQLLUQKTGW-WMLDXEAASA-N 0 3 288.391 3.026 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(OCc2ccccc2)cc1 ZINC000184263089 519104096 /nfs/dbraw/zinc/10/40/96/519104096.db2.gz BFTJXRCDOOPVSM-SFHVURJKSA-N 0 3 297.398 3.292 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000263778306 534616778 /nfs/dbraw/zinc/61/67/78/534616778.db2.gz GJGCYQOEXOSUAR-CQSZACIVSA-N 0 3 292.448 3.043 20 30 CGEDHN Cc1cccc(C)c1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000330211012 534673247 /nfs/dbraw/zinc/67/32/47/534673247.db2.gz CSRGPTNJNKPWHH-WMLDXEAASA-N 0 3 288.391 3.049 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc3cc(F)ccc3o2)C1 ZINC000335286024 534755160 /nfs/dbraw/zinc/75/51/60/534755160.db2.gz LZOGENUWBWOCRI-GXFFZTMASA-N 0 3 258.296 3.354 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccncc3)C2)cc1F ZINC000365277128 534782728 /nfs/dbraw/zinc/78/27/28/534782728.db2.gz SWFWNZWIRGGZGC-MRXNPFEDSA-N 0 3 295.361 3.157 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cccc(C(N)=O)c1 ZINC000352760372 526313969 /nfs/dbraw/zinc/31/39/69/526313969.db2.gz PBWFDAQNWCXWDQ-UHFFFAOYSA-N 0 3 294.398 3.016 20 30 CGEDHN C=C(C)CN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347380533 526569618 /nfs/dbraw/zinc/56/96/18/526569618.db2.gz SFNIWMXAURZKNB-UONOGXRCSA-N 0 3 263.406 3.063 20 30 CGEDHN C=CCOCCCN(CC=C)Cc1cccc(C#N)c1 ZINC000347960056 526747850 /nfs/dbraw/zinc/74/78/50/526747850.db2.gz DMASRBXTWSQGEO-UHFFFAOYSA-N 0 3 270.376 3.139 20 30 CGEDHN C=CCOCCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000347970858 526749571 /nfs/dbraw/zinc/74/95/71/526749571.db2.gz XLKYDEOFFUGJBX-HNNXBMFYSA-N 0 3 295.448 3.322 20 30 CGEDHN CC(C)(C)c1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354481773 526797901 /nfs/dbraw/zinc/79/79/01/526797901.db2.gz YMHVWZNPARHVNH-ZDUSSCGKSA-N 0 3 279.343 3.264 20 30 CGEDHN C=CCOc1ccc(CN2CCC(C)(COC)CC2)cc1 ZINC000354763409 526866163 /nfs/dbraw/zinc/86/61/63/526866163.db2.gz MDFXXAXQNAYFTQ-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN C=CCOc1ccccc1CNCCC(=O)OC(C)(C)C ZINC000344530665 526949488 /nfs/dbraw/zinc/94/94/88/526949488.db2.gz LAPYDQKPJHJIIC-UHFFFAOYSA-N 0 3 291.391 3.073 20 30 CGEDHN C=CCSCCNCc1nc2ccc(OC)cc2s1 ZINC000353231176 527003028 /nfs/dbraw/zinc/00/30/28/527003028.db2.gz ARUPPFHRABGKFS-UHFFFAOYSA-N 0 3 294.445 3.314 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](CC)c1cc(Cl)ccc1OC ZINC000349758902 527103644 /nfs/dbraw/zinc/10/36/44/527103644.db2.gz OATRGMBLORAURZ-GXTWGEPZSA-N 0 3 283.799 3.326 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)c(F)c1)c1ccccn1 ZINC000421376236 527171376 /nfs/dbraw/zinc/17/13/76/527171376.db2.gz DUJMIHXDNOUTJP-UHFFFAOYSA-N 0 3 283.350 3.160 20 30 CGEDHN C=CCCCN(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000344561238 527195210 /nfs/dbraw/zinc/19/52/10/527195210.db2.gz OQJYDWLVMKMXAE-UHFFFAOYSA-N 0 3 297.345 3.296 20 30 CGEDHN C=CCCCN(CC(=O)N1CCCCCC1)C(C)C ZINC000353201424 527195558 /nfs/dbraw/zinc/19/55/58/527195558.db2.gz FQEWHKXLSAZGPW-UHFFFAOYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCCCN[C@@H](CCC)c1nnc2ccccn21 ZINC000347628579 527235685 /nfs/dbraw/zinc/23/56/85/527235685.db2.gz ZLRPLLWOMYKPRW-ZDUSSCGKSA-N 0 3 258.369 3.126 20 30 CGEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)C ZINC000441282506 528154925 /nfs/dbraw/zinc/15/49/25/528154925.db2.gz VQLAQDJBJVOSHF-UHFFFAOYSA-N 0 3 298.390 3.476 20 30 CGEDHN CC(C)[C@H](NCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000347665362 529119711 /nfs/dbraw/zinc/11/97/11/529119711.db2.gz DIFGWKYFHDOCPL-HNNXBMFYSA-N 0 3 299.422 3.346 20 30 CGEDHN CCCN(CCC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514786943 535327652 /nfs/dbraw/zinc/32/76/52/535327652.db2.gz OEMMLWSIPTXDDY-QGZVFWFLSA-N 0 3 299.418 3.176 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1csc2ccccc21 ZINC000730021884 571941950 /nfs/dbraw/zinc/94/19/50/571941950.db2.gz KTYNJLKUYGJLER-RYUDHWBXSA-N 0 3 288.416 3.243 20 30 CGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000733324203 572555713 /nfs/dbraw/zinc/55/57/13/572555713.db2.gz MUULNZUXNWPJTH-OAHLLOKOSA-N 0 3 290.366 3.421 20 30 CGEDHN COc1ccc(CNCc2cc(C)c(O)c(C)c2)cc1C#N ZINC000742368357 572568067 /nfs/dbraw/zinc/56/80/67/572568067.db2.gz DCUSSSDQOZYXCR-UHFFFAOYSA-N 0 3 296.370 3.179 20 30 CGEDHN CCC[NH+]1CCC(/N=C\c2ccc(OCC)cc2[O-])CC1 ZINC000743333882 572647593 /nfs/dbraw/zinc/64/75/93/572647593.db2.gz CRTMNSZEGQXEAL-AQTBWJFISA-N 0 3 290.407 3.084 20 30 CGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000735208722 572708848 /nfs/dbraw/zinc/70/88/48/572708848.db2.gz NRTDIKGWHLGZFN-MUBLQREKSA-N 0 3 290.750 3.344 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CC=CCC3)nc21 ZINC000735790653 572741357 /nfs/dbraw/zinc/74/13/57/572741357.db2.gz OLHVCDWXLNXVBS-OLZOCXBDSA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CC=CCC3)[nH]c21 ZINC000735790653 572741359 /nfs/dbraw/zinc/74/13/59/572741359.db2.gz OLHVCDWXLNXVBS-OLZOCXBDSA-N 0 3 279.343 3.404 20 30 CGEDHN C(#Cc1ccccc1)CNCc1cccc2cc[nH]c21 ZINC000736353543 572783582 /nfs/dbraw/zinc/78/35/82/572783582.db2.gz HSOCFLNYYSCUAP-UHFFFAOYSA-N 0 3 260.340 3.309 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1csc2ccccc21 ZINC000736675281 572804568 /nfs/dbraw/zinc/80/45/68/572804568.db2.gz ZGRXCJARTMRLDN-NXEZZACHSA-N 0 3 258.346 3.238 20 30 CGEDHN CCCCCCC[C@@H](C)CNC(=O)C1CCN(C)CC1 ZINC000746152388 572857042 /nfs/dbraw/zinc/85/70/42/572857042.db2.gz HRLNZDJMJYMAJJ-OAHLLOKOSA-N 0 3 282.472 3.441 20 30 CGEDHN C[C@H]1CN(C)CC1N=Nc1ccc(C(F)(F)F)cc1 ZINC000746578488 572881902 /nfs/dbraw/zinc/88/19/02/572881902.db2.gz NPALRDLTEURBDF-VIFPVBQESA-N 0 3 271.286 3.055 20 30 CGEDHN CCOc1ccc(/C=N\[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([O-])c1 ZINC000749844618 573046044 /nfs/dbraw/zinc/04/60/44/573046044.db2.gz KZBIWVSMIDQMQI-TYAXTIJKSA-N 0 3 290.407 3.083 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964777700 613325775 /nfs/dbraw/zinc/32/57/75/613325775.db2.gz XEUAHYFNUOUSHO-NVXWUHKLSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2csc(Cl)c2)CC1 ZINC000982081213 613498954 /nfs/dbraw/zinc/49/89/54/613498954.db2.gz JWRVWYKBMZKYHD-UHFFFAOYSA-N 0 3 298.839 3.126 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@@H]2C)cc1 ZINC000968339413 613515167 /nfs/dbraw/zinc/51/51/67/613515167.db2.gz GWFPOQNJQRNTBI-MAUKXSAKSA-N 0 3 298.430 3.346 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000980565992 613628946 /nfs/dbraw/zinc/62/89/46/613628946.db2.gz GVDFKVDMGWOMHH-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000940835809 613781592 /nfs/dbraw/zinc/78/15/92/613781592.db2.gz DMHGBCMNSGXZPS-HOTGVXAUSA-N 0 3 290.451 3.136 20 30 CGEDHN C[C@H](C/N=C\c1ccccc1O)N1CCc2ccccc2C1 ZINC000255067333 617896421 /nfs/dbraw/zinc/89/64/21/617896421.db2.gz IHQXCEVINDQPSR-CTFRJJSNSA-N 0 3 294.398 3.258 20 30 CGEDHN CN(CCc1ccc(F)cc1)Cc1csc(C#N)c1 ZINC000891742754 618270517 /nfs/dbraw/zinc/27/05/17/618270517.db2.gz DTDRDNNSDXNAMS-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001022913830 618681349 /nfs/dbraw/zinc/68/13/49/618681349.db2.gz SQSMUTLFKHGWFU-FQLMCAECSA-N 0 3 298.858 3.048 20 30 CGEDHN N#Cc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)s1 ZINC000176944108 618767715 /nfs/dbraw/zinc/76/77/15/618767715.db2.gz NFFSKUSTBGQXTL-AWEZNQCLSA-N 0 3 292.791 3.096 20 30 CGEDHN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)c1nc2ccccc2[nH]1 ZINC000892420865 618768218 /nfs/dbraw/zinc/76/82/18/618768218.db2.gz ZBERGRQDRGYDLA-RWMBFGLXSA-N 0 3 279.343 3.175 20 30 CGEDHN CCCCCCCN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177009639 618771768 /nfs/dbraw/zinc/77/17/68/618771768.db2.gz HEYQKUFGIIFEDZ-GJZGRUSLSA-N 0 3 289.485 3.244 20 30 CGEDHN CC[C@H](C[C@](C)(O)CC)NCC1(C#N)CCCCC1 ZINC000926712846 618834531 /nfs/dbraw/zinc/83/45/31/618834531.db2.gz NTEUADYJTJOGFC-HUUCEWRRSA-N 0 3 266.429 3.380 20 30 CGEDHN C#C[C@H](CC)NCc1cccc(OC(F)(F)F)c1 ZINC000229899859 618870163 /nfs/dbraw/zinc/87/01/63/618870163.db2.gz DPFQHQDRASWLCF-LLVKDONJSA-N 0 3 257.255 3.087 20 30 CGEDHN C#CCCCCN[C@H](C)c1nc(Br)ccc1F ZINC000925525466 619020742 /nfs/dbraw/zinc/02/07/42/619020742.db2.gz BBIZJHSGVIWDDS-SNVBAGLBSA-N 0 3 299.187 3.437 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000893274844 619058811 /nfs/dbraw/zinc/05/88/11/619058811.db2.gz LKFIYYLCGCTHQG-PMPSAXMXSA-N 0 3 289.469 3.007 20 30 CGEDHN CC1(C)C[C@@H](CN2CCC[C@](C)(C#N)C2)C(C)(C)O1 ZINC000878406524 619424802 /nfs/dbraw/zinc/42/48/02/619424802.db2.gz XJYXLRQHHHJJKI-XJKSGUPXSA-N 0 3 264.413 3.206 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000925067751 619519339 /nfs/dbraw/zinc/51/93/39/619519339.db2.gz QYJOTGXBYITJMU-GDBMZVCRSA-N 0 3 299.418 3.100 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(OC)c(OC)c2F)C1 ZINC000895390129 619819757 /nfs/dbraw/zinc/81/97/57/619819757.db2.gz RRUBAMUEQFRMJX-LBPRGKRZSA-N 0 3 279.355 3.241 20 30 CGEDHN CC1(CNCc2cccc(F)c2C#N)CC(F)(F)C1 ZINC000895531480 619842757 /nfs/dbraw/zinc/84/27/57/619842757.db2.gz HSNXTZWUJAIMEO-UHFFFAOYSA-N 0 3 268.282 3.222 20 30 CGEDHN C=CCC1(O)CCN(C/C=C/c2cccc(F)c2)CC1 ZINC000895827880 619889663 /nfs/dbraw/zinc/88/96/63/619889663.db2.gz QMMWFUQOTYFGML-GQCTYLIASA-N 0 3 275.367 3.242 20 30 CGEDHN C=CCOc1cccc(CN2CCC(O)(CC=C)CC2)c1 ZINC000895835950 619895454 /nfs/dbraw/zinc/89/54/54/619895454.db2.gz RRLAZNAMPAXFER-UHFFFAOYSA-N 0 3 287.403 3.154 20 30 CGEDHN C#Cc1cncc(-c2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000896560288 620027130 /nfs/dbraw/zinc/02/71/30/620027130.db2.gz OMPKSMHARQTVDS-XQQFMLRXSA-N 0 3 296.374 3.047 20 30 CGEDHN C#CCN(CC[C@H]1CCCCO1)Cc1ccccc1 ZINC000796639334 620118384 /nfs/dbraw/zinc/11/83/84/620118384.db2.gz AUWYBEYGNMKCGY-QGZVFWFLSA-N 0 3 257.377 3.081 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3ccc(CO)o3)CC2)cc1 ZINC000897589688 620404817 /nfs/dbraw/zinc/40/48/17/620404817.db2.gz SZMXAGDLJGPZDR-UHFFFAOYSA-N 0 3 296.370 3.023 20 30 CGEDHN O=C1C=COC2(CCN(Cc3coc4ccccc34)CC2)C1 ZINC000897602231 620406997 /nfs/dbraw/zinc/40/69/97/620406997.db2.gz KFFMQGTUGKHBRR-UHFFFAOYSA-N 0 3 297.354 3.271 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@@H](c3cccnc3)C2)n1 ZINC000897629928 620414097 /nfs/dbraw/zinc/41/40/97/620414097.db2.gz PEBJMZISIPEOOL-OCCSQVGLSA-N 0 3 298.415 3.226 20 30 CGEDHN C=CC(C)(C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000898460571 620589721 /nfs/dbraw/zinc/58/97/21/620589721.db2.gz OSNBBRQOMONBRD-UHFFFAOYSA-N 0 3 254.717 3.302 20 30 CGEDHN C=CC(C)(C)NCc1cn(-c2cccc(F)c2)nc1C ZINC000898460880 620589820 /nfs/dbraw/zinc/58/98/20/620589820.db2.gz WMCQTDBRDAPGFU-UHFFFAOYSA-N 0 3 273.355 3.374 20 30 CGEDHN C=CC(C)(C)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000898458132 620589930 /nfs/dbraw/zinc/58/99/30/620589930.db2.gz XATNSFLGBOJSFK-UHFFFAOYSA-N 0 3 285.290 3.071 20 30 CGEDHN C[C@H](NCCc1c(F)cccc1F)c1cc(C#N)ccn1 ZINC000902754662 621425593 /nfs/dbraw/zinc/42/55/93/621425593.db2.gz FVTLOWMLVNWVGM-NSHDSACASA-N 0 3 287.313 3.125 20 30 CGEDHN C[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902873145 621476225 /nfs/dbraw/zinc/47/62/25/621476225.db2.gz WWXQNIMZTCABOD-QANKJYHBSA-N 0 3 277.371 3.235 20 30 CGEDHN CC[C@H](NCc1cc(N(C)C)ccn1)c1cccc(C#N)c1 ZINC000903197542 621622874 /nfs/dbraw/zinc/62/28/74/621622874.db2.gz QKCVZLCTYXSVGI-SFHVURJKSA-N 0 3 294.402 3.260 20 30 CGEDHN C=CCC(C)(C)c1noc(-c2ccc3n2CCN[C@@H]3C)n1 ZINC000904723937 621957634 /nfs/dbraw/zinc/95/76/34/621957634.db2.gz IKIIZOYLSBSZHH-LLVKDONJSA-N 0 3 286.379 3.056 20 30 CGEDHN CC1/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)c2ncnn21 ZINC000905079914 622032616 /nfs/dbraw/zinc/03/26/16/622032616.db2.gz HCODOSNFHLFAKK-LUHPIMIVSA-N 0 3 281.359 3.417 20 30 CGEDHN Cc1cc(Cl)cc(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905085059 622033793 /nfs/dbraw/zinc/03/37/93/622033793.db2.gz LTLGKGPHTMTSID-YRVKEHPISA-N 0 3 287.750 3.389 20 30 CGEDHN CC1/C(=C\c2ccc(C(F)(F)F)s2)C(=O)c2ncnn21 ZINC000905087862 622034538 /nfs/dbraw/zinc/03/45/38/622034538.db2.gz ZWFAPAUKKKWOQI-LDHBFYIBSA-N 0 3 299.277 3.199 20 30 CGEDHN N#CCC[C@H](C#N)CNCCC1(c2ccccc2)CC1 ZINC000905846045 622120576 /nfs/dbraw/zinc/12/05/76/622120576.db2.gz KCHCPBOSWSOWHG-OAHLLOKOSA-N 0 3 267.376 3.141 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000912322868 622634714 /nfs/dbraw/zinc/63/47/14/622634714.db2.gz ZYXZGFSTQIZCLL-SNVBAGLBSA-N 0 3 291.376 3.025 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000912395220 622646105 /nfs/dbraw/zinc/64/61/05/622646105.db2.gz NAITYVWRHDQWKS-KBPBESRZSA-N 0 3 278.421 3.095 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)C3CCC(=C)CC3)CCC[C@H]12 ZINC000992151154 623450828 /nfs/dbraw/zinc/45/08/28/623450828.db2.gz KIFBKJLZUBDAIN-WMZOPIPTSA-N 0 3 288.435 3.032 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccccc3CC)CCC[C@H]12 ZINC000992159883 623454901 /nfs/dbraw/zinc/45/49/01/623454901.db2.gz MSQNEDDHLYOOCT-HKUYNNGSSA-N 0 3 298.430 3.162 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993083518 623827972 /nfs/dbraw/zinc/82/79/72/623827972.db2.gz UOLXZIUGITVFAB-HOCLYGCPSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCOc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000915682004 624021198 /nfs/dbraw/zinc/02/11/98/624021198.db2.gz NQKINKIQEXNYGB-UHFFFAOYSA-N 0 3 278.355 3.413 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993651917 624055639 /nfs/dbraw/zinc/05/56/39/624055639.db2.gz AMVJSBOQOIOSMN-GDBMZVCRSA-N 0 3 290.451 3.112 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccsc2)nc(C)n1 ZINC000916880731 624221087 /nfs/dbraw/zinc/22/10/87/624221087.db2.gz VDRZHNVJSBBCPD-DHCBQETCSA-N 0 3 283.356 3.045 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccoc2C)cc1 ZINC000916908571 624222300 /nfs/dbraw/zinc/22/23/00/624222300.db2.gz BCDLPDYHAGKUSG-HNNXBMFYSA-N 0 3 296.326 3.112 20 30 CGEDHN C#CCN(C[C@H]1CCCCO1)[C@H]1CCc2ccccc21 ZINC000917117232 624242656 /nfs/dbraw/zinc/24/26/56/624242656.db2.gz GDRHPIYRAPJZSK-AEFFLSMTSA-N 0 3 269.388 3.178 20 30 CGEDHN C#CCN1CCC(C(=O)NCCCCCCC(C)C)CC1 ZINC000918758814 624373864 /nfs/dbraw/zinc/37/38/64/624373864.db2.gz KZEFXVNMJXQHAR-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN(C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000181247080 624832739 /nfs/dbraw/zinc/83/27/39/624832739.db2.gz NQZWNZSCOHEAFX-UHFFFAOYSA-N 0 3 283.371 3.290 20 30 CGEDHN C=C(C)CN(C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000181259084 624834699 /nfs/dbraw/zinc/83/46/99/624834699.db2.gz PVKKPCHFEAGWRA-UHFFFAOYSA-N 0 3 271.360 3.363 20 30 CGEDHN N#Cc1cc(CNCCOC2CCCCCC2)cs1 ZINC000921753668 625864884 /nfs/dbraw/zinc/86/48/84/625864884.db2.gz BQPLVHJWOHMYPM-UHFFFAOYSA-N 0 3 278.421 3.449 20 30 CGEDHN CCO[C@H](CNCc1csc(C#N)c1)c1ccccc1 ZINC000922067094 625968887 /nfs/dbraw/zinc/96/88/87/625968887.db2.gz BMFYCBAKCZFYPT-MRXNPFEDSA-N 0 3 286.400 3.487 20 30 CGEDHN N#Cc1ccc(Br)c(CNCCCCF)c1 ZINC000922142176 625972206 /nfs/dbraw/zinc/97/22/06/625972206.db2.gz HFEZCPRORFABCE-UHFFFAOYSA-N 0 3 285.160 3.160 20 30 CGEDHN C#Cc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000922167471 625978147 /nfs/dbraw/zinc/97/81/47/625978147.db2.gz ASCWJLQGRYTQOT-UHFFFAOYSA-N 0 3 277.367 3.283 20 30 CGEDHN C[C@@H]1CN(C)CC1N=Nc1ccc(Cl)c(Cl)c1 ZINC000752159522 626420406 /nfs/dbraw/zinc/42/04/06/626420406.db2.gz DOHZDCDOKONWIQ-MRVPVSSYSA-N 0 3 272.179 3.343 20 30 CGEDHN CC1(C)C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000752479553 626429254 /nfs/dbraw/zinc/42/92/54/626429254.db2.gz SKEZWTRWHGDRAG-ZJUUUORDSA-N 0 3 254.289 3.050 20 30 CGEDHN C#CCOCCN[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000753768856 626465077 /nfs/dbraw/zinc/46/50/77/626465077.db2.gz NOFPVBKWWJQMAR-ZDUSSCGKSA-N 0 3 287.359 3.132 20 30 CGEDHN C[C@H](C=Nn1cnnc1)Cc1ccc(C(C)(C)C)cc1 ZINC000754696052 626582655 /nfs/dbraw/zinc/58/26/55/626582655.db2.gz ZCLQJYLOWXIIEH-ZDUSSCGKSA-N 0 3 270.380 3.288 20 30 CGEDHN C[C@H]1C[C@@H]([NH2+]CCCCC#N)c2c1c(F)ccc2[O-] ZINC000756534343 626713354 /nfs/dbraw/zinc/71/33/54/626713354.db2.gz KEDZVIBBLVSHHT-CMPLNLGQSA-N 0 3 262.328 3.363 20 30 CGEDHN C=C(Cl)CN[C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000839602968 626764442 /nfs/dbraw/zinc/76/44/42/626764442.db2.gz VMIPBBSJMJJNGZ-KGLIPLIRSA-N 0 3 253.773 3.087 20 30 CGEDHN C#C[C@H](NCc1ccccc1OCC(F)(F)F)C(C)C ZINC000809685501 626767485 /nfs/dbraw/zinc/76/74/85/626767485.db2.gz WRTWAGSYOYJTQT-ZDUSSCGKSA-N 0 3 285.309 3.375 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OCC=C)c(Cl)c1 ZINC000809686023 626773148 /nfs/dbraw/zinc/77/31/48/626773148.db2.gz IMXFMBLMUWKEMA-CYBMUJFWSA-N 0 3 263.768 3.406 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000809686230 626775233 /nfs/dbraw/zinc/77/52/33/626775233.db2.gz BUKLSSHOKYEITM-GFCCVEGCSA-N 0 3 284.325 3.273 20 30 CGEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NNC1CCOCC1 ZINC000757585529 626791106 /nfs/dbraw/zinc/79/11/06/626791106.db2.gz MCTVSQSRORNTKJ-COTUAXAZSA-N 0 3 299.418 3.052 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccnc3cc(Cl)ccc23)CN1C ZINC000761794954 627061250 /nfs/dbraw/zinc/06/12/50/627061250.db2.gz UEEKSCRRLYFGRQ-SNVBAGLBSA-N 0 3 288.782 3.380 20 30 CGEDHN C[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1C ZINC000766376307 627324642 /nfs/dbraw/zinc/32/46/42/627324642.db2.gz YQZMPCQVTCGXFX-CABCVRRESA-N 0 3 294.402 3.357 20 30 CGEDHN C#CCN(Cc1ccc(C#N)cc1OC)C1CCCCC1 ZINC000766894392 627367522 /nfs/dbraw/zinc/36/75/22/627367522.db2.gz FQIFSJQXKNAAGP-UHFFFAOYSA-N 0 3 282.387 3.335 20 30 CGEDHN C#CCCOc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1 ZINC000769446330 627552645 /nfs/dbraw/zinc/55/26/45/627552645.db2.gz NIKLGRPXPAQVRW-HUUCEWRRSA-N 0 3 289.444 3.415 20 30 CGEDHN CC1=CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000769445676 627552876 /nfs/dbraw/zinc/55/28/76/627552876.db2.gz KIDDDGJPUYLXES-AWEZNQCLSA-N 0 3 256.349 3.129 20 30 CGEDHN C[C@H](CC#N)NN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000771882836 627740117 /nfs/dbraw/zinc/74/01/17/627740117.db2.gz BERWAPATLSXQIA-PCWMTALYSA-N 0 3 282.391 3.175 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc[nH]2)cc1 ZINC000773121456 627859130 /nfs/dbraw/zinc/85/91/30/627859130.db2.gz ZJTULBWLDAUMEG-UONOGXRCSA-N 0 3 268.360 3.439 20 30 CGEDHN C=C(CC)CN1CCN(Cc2cccc3cccnc32)CC1 ZINC000773421236 627882526 /nfs/dbraw/zinc/88/25/26/627882526.db2.gz NTISEGBVFZNLDU-UHFFFAOYSA-N 0 3 295.430 3.319 20 30 CGEDHN C=C(CC)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000773456071 627885400 /nfs/dbraw/zinc/88/54/00/627885400.db2.gz IVEPQVMJERNMBN-MRXNPFEDSA-N 0 3 275.392 3.339 20 30 CGEDHN C=C(CC)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000773456071 627885403 /nfs/dbraw/zinc/88/54/03/627885403.db2.gz IVEPQVMJERNMBN-MRXNPFEDSA-N 0 3 275.392 3.339 20 30 CGEDHN C=C1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000774618756 628009226 /nfs/dbraw/zinc/00/92/26/628009226.db2.gz NXEZYPSNMPXERM-CQSZACIVSA-N 0 3 251.757 3.025 20 30 CGEDHN C#CCN[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000775019123 628053875 /nfs/dbraw/zinc/05/38/75/628053875.db2.gz LJXZTCADHRUNFH-CYBMUJFWSA-N 0 3 273.376 3.300 20 30 CGEDHN C#CC[C@@H](NCC[S@](=O)c1ccccc1)c1ccccc1 ZINC000775404411 628091876 /nfs/dbraw/zinc/09/18/76/628091876.db2.gz MPGFYFUCLVOKCO-NQIIRXRSSA-N 0 3 297.423 3.148 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000775573798 628109868 /nfs/dbraw/zinc/10/98/68/628109868.db2.gz KHMUXNGZOAHYGU-XIRDDKMYSA-N 0 3 257.377 3.135 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc[nH]1 ZINC000776171397 628175327 /nfs/dbraw/zinc/17/53/27/628175327.db2.gz MXNMEMBWZBOZSG-QWHCGFSZSA-N 0 3 269.348 3.329 20 30 CGEDHN CC(C)Oc1ccc([C@H]2CCCC2=Nn2cnnc2)cc1 ZINC000776757271 628230214 /nfs/dbraw/zinc/23/02/14/628230214.db2.gz LDRKXPLHKDOHGJ-OAHLLOKOSA-N 0 3 284.363 3.237 20 30 CGEDHN CO[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000777013880 628244996 /nfs/dbraw/zinc/24/49/96/628244996.db2.gz XWQAZMOOOUNYKK-UONOGXRCSA-N 0 3 298.308 3.103 20 30 CGEDHN CC[C@@H](C(=O)Nc1cc(C#N)c(F)cc1C)N(CC)CC ZINC000874900902 634647142 /nfs/dbraw/zinc/64/71/42/634647142.db2.gz XGJJIJKZOJTCPY-HNNXBMFYSA-N 0 3 291.370 3.065 20 30 CGEDHN CCCN(CCC)c1ccc(C=NN[C@H](C)COC)cc1 ZINC000777894650 628308052 /nfs/dbraw/zinc/30/80/52/628308052.db2.gz NFDXMJMBFUDNHH-OAHLLOKOSA-N 0 3 291.439 3.271 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCCS1 ZINC000778177292 628331651 /nfs/dbraw/zinc/33/16/51/628331651.db2.gz UHNRQNWSLDBLCS-LBPRGKRZSA-N 0 3 295.835 3.337 20 30 CGEDHN C#CC[C@@H](NCc1ccc(CO)cc1)c1ccccc1 ZINC000778958016 628379597 /nfs/dbraw/zinc/37/95/97/628379597.db2.gz KKJBGMXYHVLLPU-GOSISDBHSA-N 0 3 265.356 3.033 20 30 CGEDHN C=CCOCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779992776 628450121 /nfs/dbraw/zinc/45/01/21/628450121.db2.gz JTEWTNFLDNOIKU-UHFFFAOYSA-N 0 3 283.371 3.351 20 30 CGEDHN C#CCCCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000780676893 628508802 /nfs/dbraw/zinc/50/88/02/628508802.db2.gz AAQZAWNUYIGEPY-IEBWSBKVSA-N 0 3 298.430 3.132 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2c[nH]nc2c1 ZINC000785617608 628875031 /nfs/dbraw/zinc/87/50/31/628875031.db2.gz PNMBACNOQONZDT-QGZVFWFLSA-N 0 3 288.354 3.212 20 30 CGEDHN CC[C@@H](c1ccccc1OC)N(C)CCO[C@H](C)C#N ZINC000805836586 629012371 /nfs/dbraw/zinc/01/23/71/629012371.db2.gz SXXFDPMIQOQXNZ-HIFRSBDPSA-N 0 3 276.380 3.007 20 30 CGEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2o1)C1CC1 ZINC000805860936 629042180 /nfs/dbraw/zinc/04/21/80/629042180.db2.gz MPEPMIYPMISDLJ-LLVKDONJSA-N 0 3 268.316 3.440 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H]2C(C)=CCC[C@H]2C)n1 ZINC000789761834 629165766 /nfs/dbraw/zinc/16/57/66/629165766.db2.gz LAYCLUXJMCPLGX-SJLPKXTDSA-N 0 3 285.435 3.331 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H]2C(C)=CCC[C@H]2C)n1 ZINC000789761832 629166130 /nfs/dbraw/zinc/16/61/30/629166130.db2.gz LAYCLUXJMCPLGX-AEFFLSMTSA-N 0 3 285.435 3.331 20 30 CGEDHN CC[C@@H](CC#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805928207 629219295 /nfs/dbraw/zinc/21/92/95/629219295.db2.gz LJIUBDZBRPYRLB-INIZCTEOSA-N 0 3 286.375 3.131 20 30 CGEDHN N#CC(C(=O)C=C1CCCC1)c1cnc2ccccc2n1 ZINC000792102109 629337694 /nfs/dbraw/zinc/33/76/94/629337694.db2.gz VUMHFYRPKSMMOB-ZDUSSCGKSA-N 0 3 277.327 3.306 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cccc(OC3CC3)c2F)C1 ZINC000862446750 629379984 /nfs/dbraw/zinc/37/99/84/629379984.db2.gz CXJOJSJENSAIKS-ZDUSSCGKSA-N 0 3 273.351 3.212 20 30 CGEDHN CC[C@H](C)CON=Cc1ccc(N(C)CCC#N)cc1 ZINC000793147125 629417156 /nfs/dbraw/zinc/41/71/56/629417156.db2.gz YZWOMUOMKUAKDA-AWEZNQCLSA-N 0 3 273.380 3.433 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793185237 629424711 /nfs/dbraw/zinc/42/47/11/629424711.db2.gz IJYKOIVFDLWWNZ-NSHDSACASA-N 0 3 284.325 3.225 20 30 CGEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)c1cnc(C)cn1 ZINC000793911772 629507320 /nfs/dbraw/zinc/50/73/20/629507320.db2.gz VDIQFTNARXJONW-WBVHZDCISA-N 0 3 279.387 3.070 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CSC[C@H]2C)c([O-])c1 ZINC000794675431 629564596 /nfs/dbraw/zinc/56/45/96/629564596.db2.gz BBUYDNICIULCRR-DYZWQOHUSA-N 0 3 292.448 3.409 20 30 CGEDHN C=C(C)CN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796683782 629814734 /nfs/dbraw/zinc/81/47/34/629814734.db2.gz OXNCQMWILGJEDZ-HNNXBMFYSA-N 0 3 280.412 3.086 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1cccc(C#N)c1 ZINC000796780627 629832600 /nfs/dbraw/zinc/83/26/00/629832600.db2.gz KNOBXKGLHGGFGG-IAQYHMDHSA-N 0 3 266.348 3.010 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2n[nH]cc21)c1cccc(C#N)c1 ZINC000796780610 629832944 /nfs/dbraw/zinc/83/29/44/629832944.db2.gz KNOBXKGLHGGFGG-ABAIWWIYSA-N 0 3 266.348 3.010 20 30 CGEDHN CC[C@](C)(OC)C(=O)C(C#N)c1nccc2ccccc21 ZINC000796900880 629856030 /nfs/dbraw/zinc/85/60/30/629856030.db2.gz SAZYIBSMFLNAFC-PBHICJAKSA-N 0 3 282.343 3.226 20 30 CGEDHN Fc1ccc(C#CCN[C@H]2CCc3ccccc3OC2)cc1 ZINC000801575141 630345192 /nfs/dbraw/zinc/34/51/92/630345192.db2.gz GTCNQKRUUATSMN-SFHVURJKSA-N 0 3 295.357 3.161 20 30 CGEDHN CC(C)Oc1ccccc1[C@@H](C)NCCO[C@H](C)C#N ZINC000801937444 630370681 /nfs/dbraw/zinc/37/06/81/630370681.db2.gz NBCWCPGUKKBWRF-ZIAGYGMSSA-N 0 3 276.380 3.053 20 30 CGEDHN CCC[C@H](NCCO[C@H](C)C#N)c1ccc(F)cc1F ZINC000801938904 630371415 /nfs/dbraw/zinc/37/14/15/630371415.db2.gz KIJACAZYMXAQKP-ABAIWWIYSA-N 0 3 282.334 3.324 20 30 CGEDHN C[C@@H](C#N)OCCNC(C)(C)c1cccc(Cl)c1F ZINC000801942386 630371894 /nfs/dbraw/zinc/37/18/94/630371894.db2.gz QKLUMKHWHTUGKW-JTQLQIEISA-N 0 3 284.762 3.232 20 30 CGEDHN Clc1cccc([C@@H]2CCCC(=Nn3cnnc3)C2)c1 ZINC000841602706 630638151 /nfs/dbraw/zinc/63/81/51/630638151.db2.gz BRLMQLIZKNMWMJ-GFCCVEGCSA-N 0 3 274.755 3.493 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000809609614 630760998 /nfs/dbraw/zinc/76/09/98/630760998.db2.gz MGQYIOZBDNBIOM-UHFFFAOYSA-N 0 3 257.283 3.236 20 30 CGEDHN C#C[C@@H](NCc1c(C)nn(C(C)(C)C)c1C)C(C)(C)C ZINC000809782440 630807849 /nfs/dbraw/zinc/80/78/49/630807849.db2.gz UEYCLMHSAXOAPJ-OAHLLOKOSA-N 0 3 275.440 3.392 20 30 CGEDHN CCN(CC)c1ccc(C=NOCCOC(C)C)cc1 ZINC000812239129 631229880 /nfs/dbraw/zinc/22/98/80/631229880.db2.gz NNZMJLSGFIUZSA-UHFFFAOYSA-N 0 3 278.396 3.308 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000876558239 634856462 /nfs/dbraw/zinc/85/64/62/634856462.db2.gz JSZKWVZXIFJHSY-KBPBESRZSA-N 0 3 280.799 3.032 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)COC ZINC000813789668 631460674 /nfs/dbraw/zinc/46/06/74/631460674.db2.gz AMFQBDLLVINRBJ-UHFFFAOYSA-N 0 3 295.810 3.114 20 30 CGEDHN C#CCN(Cc1ccc(CC)cn1)C1CCCCC1 ZINC000815028236 631705099 /nfs/dbraw/zinc/70/50/99/631705099.db2.gz VLKHYXSMVDTPKA-UHFFFAOYSA-N 0 3 256.393 3.412 20 30 CGEDHN Cc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc(C)n1 ZINC000817589988 632192751 /nfs/dbraw/zinc/19/27/51/632192751.db2.gz RURXPQJYPZYVMB-HNNXBMFYSA-N 0 3 295.386 3.452 20 30 CGEDHN CCN(C(=O)[C@H](N)CCCC#N)c1ccc2ccccc2c1 ZINC000818100387 632288431 /nfs/dbraw/zinc/28/84/31/632288431.db2.gz DJTIDWLEARCIED-QGZVFWFLSA-N 0 3 295.386 3.214 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000879518712 635802847 /nfs/dbraw/zinc/80/28/47/635802847.db2.gz UZJMIGUVZZBHPX-PBHICJAKSA-N 0 3 288.435 3.396 20 30 CGEDHN Cc1ccncc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000824909523 633303667 /nfs/dbraw/zinc/30/36/67/633303667.db2.gz NUYBJOPMZKZADJ-UHFFFAOYSA-N 0 3 294.402 3.030 20 30 CGEDHN C#CC[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000826579453 633417145 /nfs/dbraw/zinc/41/71/45/633417145.db2.gz WXJTTXQLVIPHNL-AWEZNQCLSA-N 0 3 250.345 3.475 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2ccnc(F)c2)CC1 ZINC000831457974 633964192 /nfs/dbraw/zinc/96/41/92/633964192.db2.gz GJXDHXFYLAHLKG-CQSZACIVSA-N 0 3 277.387 3.088 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872070118 633992053 /nfs/dbraw/zinc/99/20/53/633992053.db2.gz XYTVUORXSHTYDT-MKBNYLNASA-N 0 3 279.355 3.163 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872130900 634051848 /nfs/dbraw/zinc/05/18/48/634051848.db2.gz MTASVUPPMJHBHN-NHCYSSNCSA-N 0 3 283.297 3.443 20 30 CGEDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCC(C)(C)CC#N ZINC000873131715 634252704 /nfs/dbraw/zinc/25/27/04/634252704.db2.gz XSHZIWJJIOPRMY-UHFFFAOYSA-N 0 3 275.352 3.241 20 30 CGEDHN CCN(C)c1ccc(C(C)=NN[C@@H]2CCOC2(C)C)cc1 ZINC000835016886 634318618 /nfs/dbraw/zinc/31/86/18/634318618.db2.gz IORZESCOKXEXPD-MRXNPFEDSA-N 0 3 289.423 3.024 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1nc2ccccc2[nH]1 ZINC000835036544 634327399 /nfs/dbraw/zinc/32/73/99/634327399.db2.gz LKNHVESLOVHDHD-MROQNXINSA-N 0 3 279.343 3.175 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1CCC ZINC000876575730 634861047 /nfs/dbraw/zinc/86/10/47/634861047.db2.gz QUBINSWOLCLBBK-LBPRGKRZSA-N 0 3 266.772 3.048 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000876593102 634864336 /nfs/dbraw/zinc/86/43/36/634864336.db2.gz XSXWENXZCATOOP-KBPBESRZSA-N 0 3 284.831 3.028 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000876630033 634871450 /nfs/dbraw/zinc/87/14/50/634871450.db2.gz YLRVMLIIRYZSIN-GJZGRUSLSA-N 0 3 298.858 3.418 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1sc2c(c1C)CCCC2 ZINC000876680808 634879628 /nfs/dbraw/zinc/87/96/28/634879628.db2.gz JJNMEPWMJXTMTE-NSHDSACASA-N 0 3 298.839 3.344 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000876884147 634919810 /nfs/dbraw/zinc/91/98/10/634919810.db2.gz AIQOGWSLUMJBSF-CQSZACIVSA-N 0 3 298.858 3.419 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Cl)c(C)c1 ZINC000876955188 634936342 /nfs/dbraw/zinc/93/63/42/634936342.db2.gz VCFMIWDMAUAOQA-LLVKDONJSA-N 0 3 273.163 3.057 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000876983893 634943533 /nfs/dbraw/zinc/94/35/33/634943533.db2.gz ZPCSIUAEFFURGO-PWSUYJOCSA-N 0 3 298.839 3.128 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(CC)c1ccc(F)cc1 ZINC000877132945 634996693 /nfs/dbraw/zinc/99/66/93/634996693.db2.gz RRNNQTVLSINMST-ZFWWWQNUSA-N 0 3 298.789 3.037 20 30 CGEDHN C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc(F)ccc1[O-] ZINC000840786931 635052456 /nfs/dbraw/zinc/05/24/56/635052456.db2.gz FXBWDEUQQXCEMP-SNVBAGLBSA-N 0 3 250.317 3.122 20 30 CGEDHN Cc1ccc(CNCC2(C#N)CCCCC2)c(O)c1 ZINC000877633128 635123829 /nfs/dbraw/zinc/12/38/29/635123829.db2.gz APGLWDFCCVDEHR-UHFFFAOYSA-N 0 3 258.365 3.264 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CN1CCCC(F)(F)CC1 ZINC000877652920 635133117 /nfs/dbraw/zinc/13/31/17/635133117.db2.gz QDDWMZZCPNCGPB-UHFFFAOYSA-N 0 3 293.361 3.245 20 30 CGEDHN C=CCCC(C)(C)CNCc1cc(F)ncc1F ZINC000877673694 635140828 /nfs/dbraw/zinc/14/08/28/635140828.db2.gz KCIAFAJEGJPXRR-UHFFFAOYSA-N 0 3 254.324 3.442 20 30 CGEDHN C=CC(C)(C)CCCNCc1cc(F)ncc1F ZINC000877804178 635208091 /nfs/dbraw/zinc/20/80/91/635208091.db2.gz PKFCFVJUWYIGEH-UHFFFAOYSA-N 0 3 254.324 3.442 20 30 CGEDHN C[C@@H](CCC#N)CNCc1noc2c1CC(C)(C)CC2 ZINC000877809359 635212207 /nfs/dbraw/zinc/21/22/07/635212207.db2.gz BCJUMOPQQCOORR-LBPRGKRZSA-N 0 3 275.396 3.219 20 30 CGEDHN C#C[C@H](N[C@@H](C)CCOC)c1ccc(Br)cc1 ZINC000842150590 635296650 /nfs/dbraw/zinc/29/66/50/635296650.db2.gz HDSLWSNNRZHCFK-FZMZJTMJSA-N 0 3 296.208 3.138 20 30 CGEDHN CCN(C[C@@H](O)c1ccc(C)cc1)CC1(CC#N)CC1 ZINC000878148310 635379502 /nfs/dbraw/zinc/37/95/02/635379502.db2.gz GFFIEJVZQNJSFA-MRXNPFEDSA-N 0 3 272.392 3.044 20 30 CGEDHN C#CCCCCCN[C@H](CC)c1nnc2n1CCCCC2 ZINC000878965289 635668117 /nfs/dbraw/zinc/66/81/17/635668117.db2.gz MELVHLZOZKBBLE-OAHLLOKOSA-N 0 3 288.439 3.239 20 30 CGEDHN C#CCCCCCN(C)Cc1c(C)nn(CC)c1C ZINC000879118094 635706621 /nfs/dbraw/zinc/70/66/21/635706621.db2.gz AJAQCUHYQUJJEW-UHFFFAOYSA-N 0 3 261.413 3.145 20 30 CGEDHN CC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000844395702 635889762 /nfs/dbraw/zinc/88/97/62/635889762.db2.gz IDMSXPQARVJBSX-ROUUACIJSA-N 0 3 298.361 3.472 20 30 CGEDHN Cc1ccncc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000128491513 636022244 /nfs/dbraw/zinc/02/22/44/636022244.db2.gz MHZGYJLCOKWOCJ-AWEZNQCLSA-N 0 3 281.359 3.143 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846106345 636144137 /nfs/dbraw/zinc/14/41/37/636144137.db2.gz AAOPLCQGGMHOMN-INIZCTEOSA-N 0 3 291.341 3.320 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(COC)CC2)c([O-])c1 ZINC000846755624 636230345 /nfs/dbraw/zinc/23/03/45/636230345.db2.gz CPLGBRKTWXPPNB-WOJGMQOQSA-N 0 3 290.407 3.084 20 30 CGEDHN CCOC(CN(CC)[C@@H](C)c1cccc(C#N)c1)OCC ZINC000846976787 636298481 /nfs/dbraw/zinc/29/84/81/636298481.db2.gz SBUSXCDOLDDBCZ-AWEZNQCLSA-N 0 3 290.407 3.340 20 30 CGEDHN CCOC(CN(CC)Cc1ccc(C#N)cc1C)OCC ZINC000846977278 636298748 /nfs/dbraw/zinc/29/87/48/636298748.db2.gz UMPDCOHSSADFRI-UHFFFAOYSA-N 0 3 290.407 3.088 20 30 CGEDHN CCOC(CN(CC)[C@H](C)c1cccc(C#N)c1)OCC ZINC000846976791 636298862 /nfs/dbraw/zinc/29/88/62/636298862.db2.gz SBUSXCDOLDDBCZ-CQSZACIVSA-N 0 3 290.407 3.340 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2C)C1 ZINC000848923301 636694097 /nfs/dbraw/zinc/69/40/97/636694097.db2.gz IMBMBYXOUZZQQX-MRXNPFEDSA-N 0 3 279.387 3.026 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000848923598 636694636 /nfs/dbraw/zinc/69/46/36/636694636.db2.gz GVGZBYJWLYMGOP-AWEZNQCLSA-N 0 3 285.387 3.177 20 30 CGEDHN C=C(Br)CN[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000132744481 636834890 /nfs/dbraw/zinc/83/48/90/636834890.db2.gz PSMQYVIZWSEALS-GHMZBOCLSA-N 0 3 276.218 3.078 20 30 CGEDHN C=CCCNCc1c(C)nn(-c2ccccc2)c1Cl ZINC000850354733 637024646 /nfs/dbraw/zinc/02/46/46/637024646.db2.gz WXRDPXXKPYQHOR-UHFFFAOYSA-N 0 3 275.783 3.500 20 30 CGEDHN C=CCC1(NCc2ncc(CN(C)C)s2)CCCC1 ZINC000850388697 637044587 /nfs/dbraw/zinc/04/45/87/637044587.db2.gz KBXJJINJJUNXHB-UHFFFAOYSA-N 0 3 279.453 3.183 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc2cnccc2o1 ZINC000850462311 637075886 /nfs/dbraw/zinc/07/58/86/637075886.db2.gz OGJPHSACTTWEBY-LOWVWBTDSA-N 0 3 255.321 3.171 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000850498898 637091483 /nfs/dbraw/zinc/09/14/83/637091483.db2.gz FMSCCMCDYPHVBQ-BFHYXJOUSA-N 0 3 262.401 3.399 20 30 CGEDHN C=C(Cl)COc1ccc([C@H](C)NC/C=C/CO)cc1 ZINC000850510705 637096379 /nfs/dbraw/zinc/09/63/79/637096379.db2.gz ZMJOVSDRFJIQSW-OOPCZODUSA-N 0 3 281.783 3.017 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1C[C@@H](O)c3ccccc31)CC2 ZINC000850526902 637105714 /nfs/dbraw/zinc/10/57/14/637105714.db2.gz SQWINUVICNEEQA-CEXWTWQISA-N 0 3 290.366 3.314 20 30 CGEDHN C=CCOCCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850532340 637109426 /nfs/dbraw/zinc/10/94/26/637109426.db2.gz SXJRRUVMPZFTFB-AAEUAGOBSA-N 0 3 279.355 3.262 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)[C@@H]1CCCO1 ZINC000850783094 637152087 /nfs/dbraw/zinc/15/20/87/637152087.db2.gz WABWWLQECVEJNX-XUJVJEKNSA-N 0 3 298.342 3.209 20 30 CGEDHN CC1(C)CC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782518 637152179 /nfs/dbraw/zinc/15/21/79/637152179.db2.gz NHSQNAJNZYMZNY-QWRGUYRKSA-N 0 3 268.316 3.440 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCC2)CO1 ZINC000885938389 637321502 /nfs/dbraw/zinc/32/15/02/637321502.db2.gz YWGHJKMKRYBQPK-KRWDZBQOSA-N 0 3 284.403 3.339 20 30 CGEDHN C[C@@H]1c2sccc2CCN1C[C@H](O)CC1(C#N)CCC1 ZINC000886318037 637498477 /nfs/dbraw/zinc/49/84/77/637498477.db2.gz IALHSRRIPRIMKT-TZMCWYRMSA-N 0 3 290.432 3.112 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000886353992 637508838 /nfs/dbraw/zinc/50/88/38/637508838.db2.gz UFOZKTKQTHGMLV-AWEZNQCLSA-N 0 3 266.344 3.187 20 30 CGEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886355525 637511212 /nfs/dbraw/zinc/51/12/12/637511212.db2.gz JWACMTHILZWRKL-IAGOWNOFSA-N 0 3 298.430 3.284 20 30 CGEDHN C[C@]1(CN2CCC[C@H](CC#N)C2)CC1(Cl)Cl ZINC000852319735 637633381 /nfs/dbraw/zinc/63/33/81/637633381.db2.gz RFBCXIUSHYSINE-GHMZBOCLSA-N 0 3 261.196 3.196 20 30 CGEDHN N#CC[C@@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000852320738 637634476 /nfs/dbraw/zinc/63/44/76/637634476.db2.gz OGGBAXOMEVPHIV-WDEREUQCSA-N 0 3 261.196 3.196 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccccc2OC(C)C)CC1 ZINC000886764306 637680474 /nfs/dbraw/zinc/68/04/74/637680474.db2.gz PYBKJRVLEXKWSY-UHFFFAOYSA-N 0 3 289.419 3.377 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000886764116 637680507 /nfs/dbraw/zinc/68/05/07/637680507.db2.gz LMSHQIOVHBEQRJ-UHFFFAOYSA-N 0 3 289.419 3.377 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccc(C)c(F)c2)CC1 ZINC000886780715 637686132 /nfs/dbraw/zinc/68/61/32/637686132.db2.gz XNWXWBYFJVFYID-UHFFFAOYSA-N 0 3 263.356 3.037 20 30 CGEDHN C#C[C@@H](NCc1ccccc1C(F)(F)F)C(C)C ZINC000302411873 637899940 /nfs/dbraw/zinc/89/99/40/637899940.db2.gz SQWIKXQQFKBAFG-CYBMUJFWSA-N 0 3 255.283 3.453 20 30 CGEDHN COc1cccc(CN[C@H](C)CC(C)(C)C#N)c1OC ZINC000924713077 638392820 /nfs/dbraw/zinc/39/28/20/638392820.db2.gz HBQHAPAUWYPDQK-GFCCVEGCSA-N 0 3 276.380 3.122 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCC1(OC)OC)c1ccccc1 ZINC000925581848 638536625 /nfs/dbraw/zinc/53/66/25/638536625.db2.gz WEIRWQGPZSGVMA-HOTGVXAUSA-N 0 3 275.392 3.435 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(-c2ccccc2)no1 ZINC000925696349 638571017 /nfs/dbraw/zinc/57/10/17/638571017.db2.gz KJEKGLPCAIXMGB-ZIAGYGMSSA-N 0 3 286.375 3.177 20 30 CGEDHN C=C(CC)CN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048173 638622126 /nfs/dbraw/zinc/62/21/26/638622126.db2.gz QBXBPSJIFKIYMZ-INIZCTEOSA-N 0 3 272.392 3.378 20 30 CGEDHN C=C(CC)CNCc1cc(F)c(N(C)C)cc1F ZINC000858174768 638649415 /nfs/dbraw/zinc/64/94/15/638649415.db2.gz WUCRWUZZFBDGOV-UHFFFAOYSA-N 0 3 254.324 3.087 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)C1(Cl)CC1 ZINC000926369771 638767517 /nfs/dbraw/zinc/76/75/17/638767517.db2.gz KERAWHWDARLLNC-VIFPVBQESA-N 0 3 269.175 3.461 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000926591090 638788956 /nfs/dbraw/zinc/78/89/56/638788956.db2.gz HQXFYNKFHHACLW-NUEKZKHPSA-N 0 3 282.391 3.061 20 30 CGEDHN Cc1ccccc1[C@H]1CCN(Cc2cncc(C#N)c2)C1 ZINC000929457879 638926550 /nfs/dbraw/zinc/92/65/50/638926550.db2.gz LJYBPBRBWDXKKV-KRWDZBQOSA-N 0 3 277.371 3.251 20 30 CGEDHN CCC(CC)(NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000929952417 638963931 /nfs/dbraw/zinc/96/39/31/638963931.db2.gz FWKCKOVMQBSZPV-CQSZACIVSA-N 0 3 280.799 3.219 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000930071410 638972263 /nfs/dbraw/zinc/97/22/63/638972263.db2.gz GRMMBNKURNHTJQ-HUUCEWRRSA-N 0 3 290.794 3.070 20 30 CGEDHN CC(C)(C)C[C@H](NC[C@H](O)CC#N)c1ccc(F)cc1 ZINC000930206083 638982872 /nfs/dbraw/zinc/98/28/72/638982872.db2.gz ZXRSEJVJKNFGNW-CABCVRRESA-N 0 3 278.371 3.167 20 30 CGEDHN CC(C)c1ncc(CN(C)CC2CCC(C#N)CC2)cn1 ZINC000930321171 638990856 /nfs/dbraw/zinc/99/08/56/638990856.db2.gz GCFUMBAPJJDBFN-UHFFFAOYSA-N 0 3 286.423 3.362 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1cc(F)ccc1OC ZINC000932475728 639340103 /nfs/dbraw/zinc/34/01/03/639340103.db2.gz WDIIVDLHKBMXEJ-HIFRSBDPSA-N 0 3 281.371 3.202 20 30 CGEDHN C=C(CC)CNC1(c2ccc3c(c2)OCCO3)CC1 ZINC000933999572 639520567 /nfs/dbraw/zinc/52/05/67/639520567.db2.gz RQDDQKXUWYMZQD-UHFFFAOYSA-N 0 3 259.349 3.003 20 30 CGEDHN Clc1ccccc1C#CCN[C@@H]1CCOC12CCCC2 ZINC000934384050 639599693 /nfs/dbraw/zinc/59/96/93/639599693.db2.gz PPPXJQUZYLPYIF-MRXNPFEDSA-N 0 3 289.806 3.383 20 30 CGEDHN Cc1cccc(C2=CCN(CCOCCC#N)CC2)c1C ZINC000934840704 639688854 /nfs/dbraw/zinc/68/88/54/639688854.db2.gz ITDRWKOQGJRWJJ-UHFFFAOYSA-N 0 3 284.403 3.323 20 30 CGEDHN COc1cc(CN(C)Cc2cccc(C#N)c2)c(O)cc1C ZINC000159771279 640067421 /nfs/dbraw/zinc/06/74/21/640067421.db2.gz QAIGVYQJFUOHEF-UHFFFAOYSA-N 0 3 296.370 3.213 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001006461717 640336860 /nfs/dbraw/zinc/33/68/60/640336860.db2.gz HKKSVEGLEDIEJP-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN CCO[C@@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000194484467 640535992 /nfs/dbraw/zinc/53/59/92/640535992.db2.gz FTCJYIQDELCUAD-WMLDXEAASA-N 0 3 280.327 3.036 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001006860973 640938055 /nfs/dbraw/zinc/93/80/55/640938055.db2.gz DAJXGKRPHMGHCW-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015902457 640988672 /nfs/dbraw/zinc/98/86/72/640988672.db2.gz JNJKERUJSNVETA-BRWVUGGUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016172524 640992537 /nfs/dbraw/zinc/99/25/37/640992537.db2.gz ZAZVRQPLKZITCN-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016344445 640995826 /nfs/dbraw/zinc/99/58/26/640995826.db2.gz CRALAQBBMHJMRQ-QAPCUYQASA-N 0 3 298.430 3.028 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CCCC)C(C)C ZINC001157159186 805785842 /nfs/dbraw/zinc/78/58/42/805785842.db2.gz WQOOKGIDKYMKTG-IAGOWNOFSA-N 0 3 294.483 3.299 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC001157450683 805813678 /nfs/dbraw/zinc/81/36/78/805813678.db2.gz GJJOORFHWONDSF-KKUMJFAQSA-N 0 3 266.429 3.240 20 30 CGEDHN C=C[C@@](C)(O)CN1CCC[C@@H]1c1ccc(Cl)s1 ZINC001252554999 806063465 /nfs/dbraw/zinc/06/34/65/806063465.db2.gz NQPOQVZNIOSGID-ZWNOBZJWSA-N 0 3 271.813 3.475 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)COC[C@@H](CC)CCCC ZINC001253006059 806152912 /nfs/dbraw/zinc/15/29/12/806152912.db2.gz IECQNALTNCIYCN-IRXDYDNUSA-N 0 3 283.456 3.254 20 30 CGEDHN C=C(CN1CCCCC1)c1nnc(-c2cccc(OC)c2)o1 ZINC001253316776 806203386 /nfs/dbraw/zinc/20/33/86/806203386.db2.gz LUDPRAUXXJYDQQ-UHFFFAOYSA-N 0 3 299.374 3.244 20 30 CGEDHN C=C[C@H](O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC001253564733 806260186 /nfs/dbraw/zinc/26/01/86/806260186.db2.gz HUYSVCUGTQXFOM-WPRPVWTQSA-N 0 3 260.164 3.191 20 30 CGEDHN C=C[C@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC001253579189 806263638 /nfs/dbraw/zinc/26/36/38/806263638.db2.gz NLXABFVAYLCYAF-SMDDNHRTSA-N 0 3 251.757 3.024 20 30 CGEDHN C=C[C@@H](O)CN1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001253578404 806264000 /nfs/dbraw/zinc/26/40/00/806264000.db2.gz ANEFNECCWPTYOK-VXGBXAGGSA-N 0 3 286.202 3.330 20 30 CGEDHN C=C[C@@H](O)CN(C)Cc1ccccc1Oc1ccccc1 ZINC001253585688 806265845 /nfs/dbraw/zinc/26/58/45/806265845.db2.gz YSKVVPUARFCTBB-MRXNPFEDSA-N 0 3 283.371 3.458 20 30 CGEDHN C=CCN(CC=C)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254203111 806363399 /nfs/dbraw/zinc/36/33/99/806363399.db2.gz OXVGGDJTNRNKEU-HNNXBMFYSA-N 0 3 294.439 3.450 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cc3ccccc3cn2)C1 ZINC001254635269 806465724 /nfs/dbraw/zinc/46/57/24/806465724.db2.gz FLEAQYJGHLQFFO-DOMZBBRYSA-N 0 3 251.333 3.017 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc3ccccc3cn2)C1 ZINC001254635291 806465944 /nfs/dbraw/zinc/46/59/44/806465944.db2.gz FLEAQYJGHLQFFO-SWLSCSKDSA-N 0 3 251.333 3.017 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCCC[C@H]2c2cccnc2)C1 ZINC001254669535 806479923 /nfs/dbraw/zinc/47/99/23/806479923.db2.gz SHEZYPUSPOOTDQ-BMFZPTHFSA-N 0 3 255.365 3.301 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001254672508 806482058 /nfs/dbraw/zinc/48/20/58/806482058.db2.gz CDRAZQLEJVALCU-IAGOWNOFSA-N 0 3 296.414 3.360 20 30 CGEDHN N#CCCN(C1CCCC1)C1Cc2ccccc2C1 ZINC001255024391 806529116 /nfs/dbraw/zinc/52/91/16/806529116.db2.gz JBFMAWPNLAHWGV-UHFFFAOYSA-N 0 3 254.377 3.312 20 30 CGEDHN CC[C@H](CC#N)NCC1(Cc2cccc(OC)c2)CC1 ZINC001255162156 806561216 /nfs/dbraw/zinc/56/12/16/806561216.db2.gz IZYFLCSYLVUBRR-OAHLLOKOSA-N 0 3 272.392 3.300 20 30 CGEDHN N#Cc1cnc(CNC2CCC(C(F)(F)F)CC2)s1 ZINC001255512913 806657998 /nfs/dbraw/zinc/65/79/98/806657998.db2.gz YPBOPDUZIJYRSP-UHFFFAOYSA-N 0 3 289.326 3.225 20 30 CGEDHN N#CC(C(=O)C1CCC(F)(F)CC1)c1ccccn1 ZINC000160980290 799078026 /nfs/dbraw/zinc/07/80/26/799078026.db2.gz KPNPMKZORNAUPR-LLVKDONJSA-N 0 3 264.275 3.083 20 30 CGEDHN C#CCN(CCOc1ccccc1C(C)=O)C1CCCC1 ZINC000176384197 799094982 /nfs/dbraw/zinc/09/49/82/799094982.db2.gz AXPLRLQEIAUPRW-UHFFFAOYSA-N 0 3 285.387 3.146 20 30 CGEDHN C#CCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000381581916 799382805 /nfs/dbraw/zinc/38/28/05/799382805.db2.gz FRWWTGONVRBBKJ-CYBMUJFWSA-N 0 3 282.156 3.262 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(Br)s1 ZINC000395158448 799503501 /nfs/dbraw/zinc/50/35/01/799503501.db2.gz RTIDKWDTRPWYPM-NSHDSACASA-N 0 3 272.211 3.402 20 30 CGEDHN COc1ccc(C2CCC(NCCC#N)CC2)cc1 ZINC000425976081 799603499 /nfs/dbraw/zinc/60/34/99/799603499.db2.gz DUVRCVVYYYXRKA-UHFFFAOYSA-N 0 3 258.365 3.225 20 30 CGEDHN C[C@H](Cc1ccc(F)cc1)NC(=N)c1ccc(Cl)cn1 ZINC001255858686 806771397 /nfs/dbraw/zinc/77/13/97/806771397.db2.gz AVURVUMMMRTINX-SNVBAGLBSA-N 0 3 291.757 3.211 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C)c1cn(CCC)nn1 ZINC000715879662 800150366 /nfs/dbraw/zinc/15/03/66/800150366.db2.gz GGRXPIPXYPZJGA-QWHCGFSZSA-N 0 3 250.390 3.084 20 30 CGEDHN C=CC[C@@H](C)NCc1nc(C)c(Br)s1 ZINC000719256871 800234529 /nfs/dbraw/zinc/23/45/29/800234529.db2.gz LZNQUWNVXGUKMO-SSDOTTSWSA-N 0 3 275.215 3.268 20 30 CGEDHN CSCC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000719306198 800235811 /nfs/dbraw/zinc/23/58/11/800235811.db2.gz JLJBMVUJJTUIFL-UHFFFAOYSA-N 0 3 274.433 3.442 20 30 CGEDHN COc1cccc(C[C@H](C)NCc2ccccc2C#N)c1 ZINC001256146390 806834116 /nfs/dbraw/zinc/83/41/16/806834116.db2.gz XNZVSBGYIZNONB-AWEZNQCLSA-N 0 3 280.371 3.288 20 30 CGEDHN C[C@H](Cc1cccc(Br)c1)NCC1(C#N)CC1 ZINC001256177731 806843801 /nfs/dbraw/zinc/84/38/01/806843801.db2.gz QTOGTZJGOMABAO-LLVKDONJSA-N 0 3 293.208 3.273 20 30 CGEDHN COC(C)(C)[C@H](C)NCC#Cc1ccccc1Cl ZINC000932371330 800658356 /nfs/dbraw/zinc/65/83/56/800658356.db2.gz WMPBNLMSHBIXBB-LBPRGKRZSA-N 0 3 265.784 3.095 20 30 CGEDHN C#CCC1(NCC#Cc2ccccc2Cl)CCC1 ZINC000933295861 800673544 /nfs/dbraw/zinc/67/35/44/800673544.db2.gz YDCFTUMGXZJSNB-UHFFFAOYSA-N 0 3 257.764 3.227 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024596511 800730182 /nfs/dbraw/zinc/73/01/82/800730182.db2.gz IDHVNKVJAFIQBJ-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024641243 800733355 /nfs/dbraw/zinc/73/33/55/800733355.db2.gz IBHIZGPNZLEGPM-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027877866 800823288 /nfs/dbraw/zinc/82/32/88/800823288.db2.gz BLCUJNMAJSYVRI-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027903504 800826231 /nfs/dbraw/zinc/82/62/31/800826231.db2.gz IKJBJOPJKRASNN-IAGOWNOFSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001028295101 800840517 /nfs/dbraw/zinc/84/05/17/800840517.db2.gz DECQYHPXIFFQLR-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001028285357 800841074 /nfs/dbraw/zinc/84/10/74/800841074.db2.gz WPIHAYZXJVZISY-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032563228 800930195 /nfs/dbraw/zinc/93/01/95/800930195.db2.gz SCEVDLOLHGPBTN-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001033636992 800972108 /nfs/dbraw/zinc/97/21/08/800972108.db2.gz IGRRRNXQPQCPLM-LLVKDONJSA-N 0 3 298.839 3.124 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033693084 800975098 /nfs/dbraw/zinc/97/50/98/800975098.db2.gz OPPXOWATPKKMSO-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033945330 800990661 /nfs/dbraw/zinc/99/06/61/800990661.db2.gz LSMCPRHHLLLQCV-LBPRGKRZSA-N 0 3 296.798 3.046 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034020450 800994712 /nfs/dbraw/zinc/99/47/12/800994712.db2.gz KBDUYBVZPSNNAP-BRWVUGGUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001034205316 801010276 /nfs/dbraw/zinc/01/02/76/801010276.db2.gz VGHYPGOJDGHCCA-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034274332 801015188 /nfs/dbraw/zinc/01/51/88/801015188.db2.gz SZKBSVMNQCHCKV-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001034395784 801024158 /nfs/dbraw/zinc/02/41/58/801024158.db2.gz ZEDNPNZKYFPBIJ-ZFWWWQNUSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034496527 801030810 /nfs/dbraw/zinc/03/08/10/801030810.db2.gz JCRZXJRQVUBSIV-BRWVUGGUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038824308 801135051 /nfs/dbraw/zinc/13/50/51/801135051.db2.gz ZSHZLEJHUGQTNA-CQSZACIVSA-N 0 3 292.810 3.029 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)C)CC1 ZINC001039432276 801161874 /nfs/dbraw/zinc/16/18/74/801161874.db2.gz QEKPWYFRQLDXAG-CVEARBPZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC)CC1 ZINC001039887516 801167656 /nfs/dbraw/zinc/16/76/56/801167656.db2.gz FYAUQMDPRHYHRY-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049306668 801361939 /nfs/dbraw/zinc/36/19/39/801361939.db2.gz DCEKBKNHUXYHDX-CABCVRRESA-N 0 3 290.432 3.003 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)C3=CCCC3)cc2C1 ZINC001054260901 801482725 /nfs/dbraw/zinc/48/27/25/801482725.db2.gz GLRMUESXJMCIPA-UHFFFAOYSA-N 0 3 296.414 3.305 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2sccc2C)CC[C@H]1C ZINC001071315230 801525523 /nfs/dbraw/zinc/52/55/23/801525523.db2.gz UJUODKCIFNMEGU-ZIAGYGMSSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C2CCC2)CC[C@H]1C ZINC001071708146 801545968 /nfs/dbraw/zinc/54/59/68/801545968.db2.gz AQIWAUNXXJXAMT-ZBFHGGJFSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)cc2)CC[C@@H]1C ZINC001072011735 801559053 /nfs/dbraw/zinc/55/90/53/801559053.db2.gz BVNUTCFOELYXNF-DOTOQJQBSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001079866666 801648002 /nfs/dbraw/zinc/64/80/02/801648002.db2.gz SHTYMTFHZPGBNA-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001081023546 801658741 /nfs/dbraw/zinc/65/87/41/801658741.db2.gz WPSZHAPDZDYWLA-UKRRQHHQSA-N 0 3 290.407 3.029 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001084796281 801670918 /nfs/dbraw/zinc/67/09/18/801670918.db2.gz TVSGZCNANHIMMO-SJLPKXTDSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001085460813 801688329 /nfs/dbraw/zinc/68/83/29/801688329.db2.gz QHDMSLVEKDKCDO-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085537709 801692143 /nfs/dbraw/zinc/69/21/43/801692143.db2.gz FVFXTNGCKROARH-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001085669233 801698964 /nfs/dbraw/zinc/69/89/64/801698964.db2.gz VNDWZMXLSPYFOO-SJORKVTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085670497 801699013 /nfs/dbraw/zinc/69/90/13/801699013.db2.gz XGBYVCKIFWYGIL-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085909442 801710539 /nfs/dbraw/zinc/71/05/39/801710539.db2.gz JQVXPGLDOHCECQ-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940610 801712329 /nfs/dbraw/zinc/71/23/29/801712329.db2.gz KSCWZVKKUDOYJR-HNNXBMFYSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001086181237 801722892 /nfs/dbraw/zinc/72/28/92/801722892.db2.gz ARBXOCHMDVRPIC-MHEUCROKSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1CC ZINC001087712174 801764612 /nfs/dbraw/zinc/76/46/12/801764612.db2.gz RZEKIKQGKFLMHL-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1CC ZINC001087844454 801771743 /nfs/dbraw/zinc/77/17/43/801771743.db2.gz AAVWOPOPHJEBLI-BNQMIIOLSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1CC ZINC001087842673 801772050 /nfs/dbraw/zinc/77/20/50/801772050.db2.gz FACPGIVCVVBVPV-JKSUJKDBSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C)CC)C1 ZINC001088266677 801779562 /nfs/dbraw/zinc/77/95/62/801779562.db2.gz GUWBZWAHFFPDHN-GXTWGEPZSA-N 0 3 286.847 3.146 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089627298 801845668 /nfs/dbraw/zinc/84/56/68/801845668.db2.gz WVBRHVCSQGNEMK-LSDHHAIUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)C(C)C ZINC001098960903 801921779 /nfs/dbraw/zinc/92/17/79/801921779.db2.gz TZZSBEVVFPGPRZ-HZPDHXFCSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CCCC2)C1 ZINC001102633014 802014609 /nfs/dbraw/zinc/01/46/09/802014609.db2.gz YJOQMELTKXJLNT-IUODEOHRSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109634302 802121423 /nfs/dbraw/zinc/12/14/23/802121423.db2.gz JORPOWSKJCBCRP-NCOADZHNSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110933322 802151001 /nfs/dbraw/zinc/15/10/01/802151001.db2.gz JORPOWSKJCBCRP-VQHPVUNQSA-N 0 3 290.451 3.276 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001112896221 802195591 /nfs/dbraw/zinc/19/55/91/802195591.db2.gz MPFOOLJJPNXORQ-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCN(CC(CC)CC)CC1 ZINC001113248411 802211253 /nfs/dbraw/zinc/21/12/53/802211253.db2.gz YUTYBSUHBQTNME-HNNXBMFYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC[C@H](C)CC)CC1 ZINC001113452927 802222500 /nfs/dbraw/zinc/22/25/00/802222500.db2.gz NLIOOUCBRHHWEO-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(CCSc1ccncc1)CCc1ccco1 ZINC001119777023 802699407 /nfs/dbraw/zinc/69/94/07/802699407.db2.gz PGVZGURKULHQME-UHFFFAOYSA-N 0 3 288.416 3.497 20 30 CGEDHN CS[C@@H]1CC[C@@H](N(C)CC#Cc2ccccc2)C1 ZINC001119929105 802708591 /nfs/dbraw/zinc/70/85/91/802708591.db2.gz JDKAJHRETPXTEB-HZPDHXFCSA-N 0 3 259.418 3.254 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C=C(\C)CC)C2 ZINC001121072598 802802882 /nfs/dbraw/zinc/80/28/82/802802882.db2.gz WTNPPFUVMBUTSN-VZUCSPMQSA-N 0 3 296.842 3.112 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC001122038884 802857716 /nfs/dbraw/zinc/85/77/16/802857716.db2.gz QYWAAPSRQAWXPT-WBVHZDCISA-N 0 3 276.424 3.019 20 30 CGEDHN N#CCCc1ccc(NC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC001122254114 802863855 /nfs/dbraw/zinc/86/38/55/802863855.db2.gz OVKQUQNABMPTKK-QGZVFWFLSA-N 0 3 299.418 3.379 20 30 CGEDHN N#C[C@H]1CC=C(c2cncc(CN3CCCC3)c2)CC1 ZINC001243793028 803011713 /nfs/dbraw/zinc/01/17/13/803011713.db2.gz NLHIPOIENVEGHG-AWEZNQCLSA-N 0 3 267.376 3.384 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132056988 803369186 /nfs/dbraw/zinc/36/91/86/803369186.db2.gz ICPBBETWFUZVGF-WBVHZDCISA-N 0 3 290.451 3.300 20 30 CGEDHN CC#CCCCC(=O)N[C@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001132224861 803380716 /nfs/dbraw/zinc/38/07/16/803380716.db2.gz RHDVXMZSLGEFKM-SJORKVTESA-N 0 3 290.451 3.115 20 30 CGEDHN C#CCCCCCC(=O)N[C@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132228289 803383351 /nfs/dbraw/zinc/38/33/51/803383351.db2.gz OMWRYXGDVCZJBX-IRXDYDNUSA-N 0 3 290.451 3.115 20 30 CGEDHN CN(C)Cc1cncc(-c2cccc(Cl)c2C#N)c1 ZINC001244734391 803515032 /nfs/dbraw/zinc/51/50/32/803515032.db2.gz UCXCLTKNVXZABE-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN COCCN(C)Cc1ccnc(-c2cccc(C#N)c2C)c1 ZINC001244815536 803534286 /nfs/dbraw/zinc/53/42/86/803534286.db2.gz IGWKNHDXUMGVHE-UHFFFAOYSA-N 0 3 295.386 3.007 20 30 CGEDHN O=C1C=C2CN(Cc3cccc(Cl)c3F)CCC2S1 ZINC001137958542 803806676 /nfs/dbraw/zinc/80/66/76/803806676.db2.gz JNACQWJQWSJEOM-LBPRGKRZSA-N 0 3 297.782 3.253 20 30 CGEDHN C(#Cc1ccc(CN2CCCOCC2)cc1)c1ccccc1 ZINC001138333902 803896153 /nfs/dbraw/zinc/89/61/53/803896153.db2.gz WGMQUKCOSMSQKR-UHFFFAOYSA-N 0 3 291.394 3.309 20 30 CGEDHN C=CCc1cccc(C[NH+]2CC3(C2)CCCC3)c1[O-] ZINC001138625895 803982008 /nfs/dbraw/zinc/98/20/08/803982008.db2.gz WBBXLPJKKZLTIS-UHFFFAOYSA-N 0 3 257.377 3.497 20 30 CGEDHN C#CC1CCN(Cc2cccn2-c2ccccc2F)CC1 ZINC001138633014 803987328 /nfs/dbraw/zinc/98/73/28/803987328.db2.gz POWMWNVXVHTVON-UHFFFAOYSA-N 0 3 282.362 3.462 20 30 CGEDHN C=CCOc1ccccc1CN1CCN(C(C)C)[C@@H](C)C1 ZINC001139031032 804113610 /nfs/dbraw/zinc/11/36/10/804113610.db2.gz QADFJZXLHCGBMI-INIZCTEOSA-N 0 3 288.435 3.166 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@]12CCOC2 ZINC001139030312 804114773 /nfs/dbraw/zinc/11/47/73/804114773.db2.gz JAXKOYMVRAKQNR-KRWDZBQOSA-N 0 3 273.376 3.006 20 30 CGEDHN Cc1nc2cc(C)ccn2c1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139676243 804250676 /nfs/dbraw/zinc/25/06/76/804250676.db2.gz DOAFETROHURAAC-PHZGNYQRSA-N 0 3 294.402 3.218 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@H]4OCCC[C@H]4C3)c[nH]c21 ZINC001139702087 804258299 /nfs/dbraw/zinc/25/82/99/804258299.db2.gz VLVRERIFGRCKON-WMLDXEAASA-N 0 3 295.386 3.040 20 30 CGEDHN CN(Cc1c[nH]c2c1cccc2C#N)C1CC(F)(F)C1 ZINC001139701350 804258659 /nfs/dbraw/zinc/25/86/59/804258659.db2.gz FFQGPCAMYNNDCP-UHFFFAOYSA-N 0 3 275.302 3.269 20 30 CGEDHN Cc1ccc(CN(C)C[C@H]2Cc3ccccc3O2)cc1C#N ZINC001139728814 804268942 /nfs/dbraw/zinc/26/89/42/804268942.db2.gz GWIMKUZXVRMJSI-GOSISDBHSA-N 0 3 292.382 3.302 20 30 CGEDHN C=CCn1cc(CN(C)CCc2ccc(Cl)cc2)cn1 ZINC001139772601 804277518 /nfs/dbraw/zinc/27/75/18/804277518.db2.gz LWLQUBLEZJEDJT-UHFFFAOYSA-N 0 3 289.810 3.397 20 30 CGEDHN CCCCCCCCN(C)Cc1cnn(CCOC)c1 ZINC001139781540 804279849 /nfs/dbraw/zinc/27/98/49/804279849.db2.gz PSLWPSWMDTZGJJ-UHFFFAOYSA-N 0 3 281.444 3.322 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[C@@H]1CCC ZINC001139874365 804306326 /nfs/dbraw/zinc/30/63/26/804306326.db2.gz WHNUDTOFRLPZLN-HOTGVXAUSA-N 0 3 280.456 3.169 20 30 CGEDHN COC(C)(C)[C@@H]1CCCN1Cc1cc(F)cc(C#N)c1 ZINC001139875656 804306958 /nfs/dbraw/zinc/30/69/58/804306958.db2.gz YOLCDXAJAWLVBE-HNNXBMFYSA-N 0 3 276.355 3.087 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc3ccccc3cn2)C1 ZINC001139998747 804347496 /nfs/dbraw/zinc/34/74/96/804347496.db2.gz CFRNJFOHHZXMCA-AWEZNQCLSA-N 0 3 250.345 3.080 20 30 CGEDHN COc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)nc1 ZINC001140546846 804457729 /nfs/dbraw/zinc/45/77/29/804457729.db2.gz WTUNWZLVIWXFLX-AWEZNQCLSA-N 0 3 295.386 3.025 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)cn1 ZINC001140543468 804458399 /nfs/dbraw/zinc/45/83/99/804458399.db2.gz AOHGXCJFVBYDPJ-MRXNPFEDSA-N 0 3 277.371 3.018 20 30 CGEDHN CN(Cc1sc(N)c(C#N)c1Cl)C1CCCC1 ZINC001141112266 804592160 /nfs/dbraw/zinc/59/21/60/804592160.db2.gz WCMAHJMDZUJMDU-UHFFFAOYSA-N 0 3 269.801 3.230 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(OC2CCOCC2)cc1 ZINC001141413210 804638415 /nfs/dbraw/zinc/63/84/15/804638415.db2.gz KQQKNTQXSMPECJ-UHFFFAOYSA-N 0 3 287.403 3.418 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3cc(F)ccc3n2)C1 ZINC001141648817 804661025 /nfs/dbraw/zinc/66/10/25/804661025.db2.gz GOCVJBSRXYZWIK-ZDUSSCGKSA-N 0 3 268.335 3.219 20 30 CGEDHN CCN1CCN(Cc2c(Cl)cccc2C#N)C(C)(C)C1 ZINC001143732513 804889307 /nfs/dbraw/zinc/88/93/07/804889307.db2.gz QICWEVPOXLBEFL-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN CCc1cc(C#N)ccc1CN1C[C@@H](C)C[C@H]1CF ZINC001248748239 804982969 /nfs/dbraw/zinc/98/29/69/804982969.db2.gz CCVZMTLOGKSFDL-LRDDRELGSA-N 0 3 260.356 3.301 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)CCCCC)C2)C1 ZINC001148395707 805179190 /nfs/dbraw/zinc/17/91/90/805179190.db2.gz CRIVBYZKXBBAJW-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCN(Cc1ccccc1)c1cc(N(C)C)nc(C)n1 ZINC001167125886 807156006 /nfs/dbraw/zinc/15/60/06/807156006.db2.gz FBXCXKSLGATIQG-UHFFFAOYSA-N 0 3 282.391 3.044 20 30 CGEDHN C=C(C)CCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167412711 807191049 /nfs/dbraw/zinc/19/10/49/807191049.db2.gz QEBTXJTXXPZZRZ-ZIAGYGMSSA-N 0 3 282.428 3.282 20 30 CGEDHN COCC#CCN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC001167478068 807196459 /nfs/dbraw/zinc/19/64/59/807196459.db2.gz KREITHGHCFAMMV-WMZOPIPTSA-N 0 3 271.404 3.418 20 30 CGEDHN C=C1C[C@@H]2CC(N3CCC[C@]4(CCC(=O)O4)C3)C[C@H](C1)C2 ZINC001257895709 807245605 /nfs/dbraw/zinc/24/56/05/807245605.db2.gz YYNUZNDMMKVCAG-ONYGOOLBSA-N 0 3 289.419 3.293 20 30 CGEDHN C[C@H]1CC(NC(=N)c2ccc(Cl)cn2)C[C@@H](C)C1 ZINC001258154335 807324188 /nfs/dbraw/zinc/32/41/88/807324188.db2.gz WRRSFMNRWJETNG-DHHPTOIESA-N 0 3 265.788 3.265 20 30 CGEDHN C=CCN1CCN([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168179906 807337614 /nfs/dbraw/zinc/33/76/14/807337614.db2.gz OBUGQYCISDSKMV-AWEZNQCLSA-N 0 3 278.827 3.075 20 30 CGEDHN C=CCN(CC=C)[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168863976 807532722 /nfs/dbraw/zinc/53/27/22/807532722.db2.gz LENKQHSFIPEPFX-KGLIPLIRSA-N 0 3 280.412 3.058 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2ncc(C#N)s2)CC(C)(C)C1 ZINC001258689416 807546261 /nfs/dbraw/zinc/54/62/61/807546261.db2.gz GBVJYMZUGVYBNA-GHMZBOCLSA-N 0 3 263.410 3.319 20 30 CGEDHN C#CCN(CC#C)[C@H](CCCC)Cc1ccccc1 ZINC001258714824 807565516 /nfs/dbraw/zinc/56/55/16/807565516.db2.gz TYUYFQDQJMREPE-GOSISDBHSA-N 0 3 253.389 3.356 20 30 CGEDHN C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCCC1 ZINC001169134956 807587295 /nfs/dbraw/zinc/58/72/95/807587295.db2.gz AUMFAHMDVVTUQG-GUYCJALGSA-N 0 3 299.418 3.033 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@](C)(CC)CCC ZINC001169336699 807629350 /nfs/dbraw/zinc/62/93/50/807629350.db2.gz JYBYCRRXPURLLD-AWEZNQCLSA-N 0 3 274.836 3.051 20 30 CGEDHN N#CC(C(=O)CCc1ccc(F)cc1)c1cccc(F)n1 ZINC001263377870 807949283 /nfs/dbraw/zinc/94/92/83/807949283.db2.gz OBKDVHIOOOZQDY-CYBMUJFWSA-N 0 3 286.281 3.169 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCC(=O)c1ccc(F)cc1 ZINC001171180572 808002139 /nfs/dbraw/zinc/00/21/39/808002139.db2.gz BHULGJJRMAZFCN-ZDUSSCGKSA-N 0 3 296.345 3.101 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001263817379 808008655 /nfs/dbraw/zinc/00/86/55/808008655.db2.gz UQEGOURIIMLFJJ-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)C2CCCCC2)[C@H]1C ZINC001264164666 808042657 /nfs/dbraw/zinc/04/26/57/808042657.db2.gz LPXGCPIKRQQPJI-INMHGKMJSA-N 0 3 292.467 3.358 20 30 CGEDHN N#Cc1ccccc1CN[C@H]1CCc2c(F)cccc2C1 ZINC001171402636 808047119 /nfs/dbraw/zinc/04/71/19/808047119.db2.gz SAYMOWANZBBGPA-INIZCTEOSA-N 0 3 280.346 3.344 20 30 CGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2occc2C)C1 ZINC001265271232 808125191 /nfs/dbraw/zinc/12/51/91/808125191.db2.gz UVLIVLUFKHADAN-HNNXBMFYSA-N 0 3 290.407 3.139 20 30 CGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001265655511 808165863 /nfs/dbraw/zinc/16/58/63/808165863.db2.gz JOSZVSYDFAFMDH-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCC[C@H]1[C@H](C)NCCF ZINC001265995932 808199944 /nfs/dbraw/zinc/19/99/44/808199944.db2.gz AAJBHVKBRSYNDB-HOCLYGCPSA-N 0 3 296.430 3.084 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C)(C)C1CCC1 ZINC001266163671 808221714 /nfs/dbraw/zinc/22/17/14/808221714.db2.gz MVPPTJWRNDBTGW-LBPRGKRZSA-N 0 3 286.847 3.050 20 30 CGEDHN CCCCCCCC[C@H](CC)N1CCO[C@@H](CO)C1 ZINC001172506011 808363118 /nfs/dbraw/zinc/36/31/18/808363118.db2.gz ZBQMNFFTCUUJGU-JKSUJKDBSA-N 0 3 271.445 3.209 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(C)[C@H](c2ccccc2)C1 ZINC001172507126 808364495 /nfs/dbraw/zinc/36/44/95/808364495.db2.gz PMGXLPBDOFSLJW-RDJZCZTQSA-N 0 3 271.408 3.057 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1cc(C)c(C)o1)c1ccccc1 ZINC001267358112 808420510 /nfs/dbraw/zinc/42/05/10/808420510.db2.gz WXZLIQCUZGXANO-MRXNPFEDSA-N 0 3 298.386 3.143 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)C#CC(C)(C)C)c1ccccc1 ZINC001267521886 808437968 /nfs/dbraw/zinc/43/79/68/808437968.db2.gz WWYCRIIFDRDSJQ-KRWDZBQOSA-N 0 3 298.430 3.059 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001267544860 808444304 /nfs/dbraw/zinc/44/43/04/808444304.db2.gz UXOQPAZTVDDJNH-DOTOQJQBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C[C@@H](C(=O)N[C@@H]1CCCN(CC(=C)C)C1)c1ccccc1 ZINC001267622117 808461203 /nfs/dbraw/zinc/46/12/03/808461203.db2.gz MUKUJVDUUCHBKN-QZTJIDSGSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267778229 808490821 /nfs/dbraw/zinc/49/08/21/808490821.db2.gz YAYGXVNYWJUBAA-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCC1(NCC(=C)Cl)CCCC1 ZINC001268036902 808529626 /nfs/dbraw/zinc/52/96/26/808529626.db2.gz FDULIUYSFUIKDQ-UHFFFAOYSA-N 0 3 298.858 3.360 20 30 CGEDHN CCSC[C@@H](C)NC(=N)c1ccc2ccccc2n1 ZINC001173297172 808596663 /nfs/dbraw/zinc/59/66/63/808596663.db2.gz RGXAXTHVVURRFF-LLVKDONJSA-N 0 3 273.405 3.082 20 30 CGEDHN CC1(C#N)CCC(N2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001173592654 808648372 /nfs/dbraw/zinc/64/83/72/808648372.db2.gz XLGMMBZHZBAGJC-KRIMKBQASA-N 0 3 274.408 3.292 20 30 CGEDHN Cc1nc2ccc(Nc3c(N)cccc3C#N)cc2[nH]1 ZINC001213076462 815225468 /nfs/dbraw/zinc/22/54/68/815225468.db2.gz SHJFNPXFJANRHR-UHFFFAOYSA-N 0 3 263.304 3.069 20 30 CGEDHN CCCCCCCN1CC[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC001269209022 808655724 /nfs/dbraw/zinc/65/57/24/808655724.db2.gz SHFMSAOIRWNRFX-CYBMUJFWSA-N 0 3 290.398 3.145 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001269337150 808671312 /nfs/dbraw/zinc/67/13/12/808671312.db2.gz HFCUQVBQHKARMC-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001275945988 808979470 /nfs/dbraw/zinc/97/94/70/808979470.db2.gz QCXWZZKCKUEYOV-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CC[C@@H](C)C2)C1 ZINC001277027191 809054429 /nfs/dbraw/zinc/05/44/29/809054429.db2.gz OBFVWCMDLFCDLA-FAAHXZRKSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCCCCCCCCN1CC2(C[C@H]2C(=O)N(C)C)C1 ZINC001277170366 809061191 /nfs/dbraw/zinc/06/11/91/809061191.db2.gz MYJUKVUUIDMNKZ-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN Cc1cc(C#N)c(Nc2ccncc2C)cc1Cl ZINC001174538789 809071419 /nfs/dbraw/zinc/07/14/19/809071419.db2.gz QSXVCQCTXDQIIN-UHFFFAOYSA-N 0 3 257.724 3.389 20 30 CGEDHN Cc1cnccc1Nc1cc(C#N)ccc1C(F)(F)F ZINC001174539486 809071951 /nfs/dbraw/zinc/07/19/51/809071951.db2.gz HWPVUMAUGJAPEJ-UHFFFAOYSA-N 0 3 277.249 3.446 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001278501750 809137643 /nfs/dbraw/zinc/13/76/43/809137643.db2.gz YKRNUKNIAZNPGX-RDJZCZTQSA-N 0 3 286.419 3.122 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C(CCC)CCC)[C@@H]1C ZINC001278520808 809138738 /nfs/dbraw/zinc/13/87/38/809138738.db2.gz ISWXWMDZHWEWGA-DOTOQJQBSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(C)Nc1sc(N)c2c1CN(CCC)CC2 ZINC001174790172 809163928 /nfs/dbraw/zinc/16/39/28/809163928.db2.gz LPVUFDHCCADPII-UHFFFAOYSA-N 0 3 251.399 3.044 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C/C=C(\C)C=C)cc1 ZINC001280354338 809186522 /nfs/dbraw/zinc/18/65/22/809186522.db2.gz NOIKQRULYFWPPN-NHKNYXOTSA-N 0 3 296.414 3.109 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)Cc1cccc2ccccc21 ZINC001282487004 809251713 /nfs/dbraw/zinc/25/17/13/809251713.db2.gz SWVIERMCGNNWCY-OAHLLOKOSA-N 0 3 296.414 3.005 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001282504366 809252301 /nfs/dbraw/zinc/25/23/01/809252301.db2.gz OIYHIYOAYBYMOW-WLMCBFPDSA-N 0 3 286.419 3.021 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCCC)C[C@@H]2C1 ZINC001282938037 809266650 /nfs/dbraw/zinc/26/66/50/809266650.db2.gz JBSHEJRWKGTECJ-RRFJBIMHSA-N 0 3 298.858 3.146 20 30 CGEDHN C=C(C)CCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC001293771507 809454140 /nfs/dbraw/zinc/45/41/40/809454140.db2.gz VEQAFMJKVQDVGR-UHFFFAOYSA-N 0 3 286.419 3.472 20 30 CGEDHN CCCCCCCC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC001299832704 809556186 /nfs/dbraw/zinc/55/61/86/809556186.db2.gz DZQOGDMCPSXJSH-HNNXBMFYSA-N 0 3 268.445 3.290 20 30 CGEDHN CCCCCCCCC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001179993906 809965853 /nfs/dbraw/zinc/96/58/53/809965853.db2.gz CAZOOJUDSCWDIQ-GJZGRUSLSA-N 0 3 286.435 3.286 20 30 CGEDHN C[C@H](C#N)c1ccc(NC(=O)CN(C)C2CCCC2)cc1 ZINC001180629209 810015250 /nfs/dbraw/zinc/01/52/50/810015250.db2.gz PUFMPTWVVSSLJJ-CYBMUJFWSA-N 0 3 285.391 3.127 20 30 CGEDHN CCCCCCC[C@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC001181132455 810039919 /nfs/dbraw/zinc/03/99/19/810039919.db2.gz DDLRXQVRUXVLGH-GJZGRUSLSA-N 0 3 268.445 3.193 20 30 CGEDHN C=CCCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001181543844 810058271 /nfs/dbraw/zinc/05/82/71/810058271.db2.gz WEKRBNVPQRCXPZ-UONOGXRCSA-N 0 3 290.382 3.043 20 30 CGEDHN C#CCN(Cc1ccccc1)CC(C)(C)CC(=O)OCC ZINC001181637223 810062488 /nfs/dbraw/zinc/06/24/88/810062488.db2.gz BXNDQHZYGTYFOX-UHFFFAOYSA-N 0 3 287.403 3.101 20 30 CGEDHN C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2CCCN2CC2CC2)cc1 ZINC001182554340 810114890 /nfs/dbraw/zinc/11/48/90/810114890.db2.gz FSDOEEMOBREALL-GUYCJALGSA-N 0 3 297.402 3.127 20 30 CGEDHN C#CCC1(O)CCN(C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC001183497819 810150615 /nfs/dbraw/zinc/15/06/15/810150615.db2.gz CACCYWDXWTYFSV-SREVYHEPSA-N 0 3 297.442 3.475 20 30 CGEDHN C=CCC[C@H](CC)N[C@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184328648 810192818 /nfs/dbraw/zinc/19/28/18/810192818.db2.gz QDULFHGKRBVJBL-KBPBESRZSA-N 0 3 280.799 3.201 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](CC)CCCC)[C@@H]2C1 ZINC001186966119 810375436 /nfs/dbraw/zinc/37/54/36/810375436.db2.gz PKAPMHZLDNDGOT-IXDOHACOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001192696108 810816731 /nfs/dbraw/zinc/81/67/31/810816731.db2.gz MIUKMLMVHACEBM-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194184140 811030564 /nfs/dbraw/zinc/03/05/64/811030564.db2.gz ZCYCOWYAZGNOAP-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN CCCCCCCN1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195754695 811285984 /nfs/dbraw/zinc/28/59/84/811285984.db2.gz RYJKTQFKRFFRMT-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N1CCC[C@H](C2CCCCC2)C1 ZINC001196411195 811342298 /nfs/dbraw/zinc/34/22/98/811342298.db2.gz ZSCLWRACDAFYGX-HOTGVXAUSA-N 0 3 279.424 3.396 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCCC)C12CCC2 ZINC001202459344 812097965 /nfs/dbraw/zinc/09/79/65/812097965.db2.gz OIXUVYAUPBUEHG-KBPBESRZSA-N 0 3 298.858 3.336 20 30 CGEDHN Cc1cc(O)cnc1NC=Cc1ccc(C#N)cc1 ZINC001203298758 812301613 /nfs/dbraw/zinc/30/16/13/812301613.db2.gz QTKRDNNTSFDODL-VOTSOKGWSA-N 0 3 251.289 3.050 20 30 CGEDHN O=C1C=C2CN(Cc3c(F)cccc3Cl)CCC2S1 ZINC001203399593 812343873 /nfs/dbraw/zinc/34/38/73/812343873.db2.gz GNPSRIQZXLQNDT-CYBMUJFWSA-N 0 3 297.782 3.253 20 30 CGEDHN N#Cc1ccc(CC2CCN(Cc3ccccn3)CC2)cc1 ZINC001204061471 812537606 /nfs/dbraw/zinc/53/76/06/812537606.db2.gz JNBUTJOODORQBU-UHFFFAOYSA-N 0 3 291.398 3.408 20 30 CGEDHN C#C[C@H](NCc1cn(C)nc1C1CCCC1)C(C)(C)C ZINC001206076975 813191747 /nfs/dbraw/zinc/19/17/47/813191747.db2.gz HQGHDTOIBQIJDT-HNNXBMFYSA-N 0 3 273.424 3.215 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cc(C)cc(F)c2)no1 ZINC001206094256 813198050 /nfs/dbraw/zinc/19/80/50/813198050.db2.gz CKWNWQVLIDPYOK-UHFFFAOYSA-N 0 3 287.338 3.293 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001207933847 813673626 /nfs/dbraw/zinc/67/36/26/813673626.db2.gz RUSFIXAVJCXGSN-HZPDHXFCSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001208827172 813857870 /nfs/dbraw/zinc/85/78/70/813857870.db2.gz GUDFAGKFGPCRTC-BRWVUGGUSA-N 0 3 292.467 3.382 20 30 CGEDHN CC(C)c1ccc(NC2=CCN(C)CC2)c(C#N)c1 ZINC001208858784 813871840 /nfs/dbraw/zinc/87/18/40/813871840.db2.gz RHKKGGCEKUVNEK-UHFFFAOYSA-N 0 3 255.365 3.313 20 30 CGEDHN C=CCCCCN1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209200400 813964144 /nfs/dbraw/zinc/96/41/44/813964144.db2.gz HQQUESHAOULKQJ-UHFFFAOYSA-N 0 3 294.439 3.428 20 30 CGEDHN C=CCCCCCCN1CCS[C@@H](C(=O)OCC)C1 ZINC001209441556 814040939 /nfs/dbraw/zinc/04/09/39/814040939.db2.gz XPZAXMZPFSYWHK-CQSZACIVSA-N 0 3 285.453 3.103 20 30 CGEDHN C=CCCCCCCCN1CCS[C@H](C(=O)OCC)C1 ZINC001209441263 814042095 /nfs/dbraw/zinc/04/20/95/814042095.db2.gz GLPSUALYYJZLBJ-HNNXBMFYSA-N 0 3 299.480 3.494 20 30 CGEDHN C=CCCCCCCCCN1CCC2(C1)OCCO2 ZINC001209442643 814043881 /nfs/dbraw/zinc/04/38/81/814043881.db2.gz AOUSDIMHLBIRDC-UHFFFAOYSA-N 0 3 267.413 3.352 20 30 CGEDHN CN1CCc2ccc(Nc3ccc(F)cc3C#N)cc2C1 ZINC001210556568 814524526 /nfs/dbraw/zinc/52/45/26/814524526.db2.gz VKCMBGWBUOXOGD-UHFFFAOYSA-N 0 3 281.334 3.429 20 30 CGEDHN N#C[C@H]1CNC[C@@H]1OCc1cccc(Oc2ccccc2)c1 ZINC001217834278 815973880 /nfs/dbraw/zinc/97/38/80/815973880.db2.gz WFWRVDXDDYRLJH-YJBOKZPZSA-N 0 3 294.354 3.107 20 30 CGEDHN C=C[C@H](CCCCCC)OC[C@@H]1COC(C)(C)N1 ZINC001217896140 815995200 /nfs/dbraw/zinc/99/52/00/815995200.db2.gz OSWUQYLXIHGFIM-ZIAGYGMSSA-N 0 3 255.402 3.253 20 30 CGEDHN Cc1cccc(O[C@H]2CNCc3ccccc32)c1C#N ZINC001218486081 816240680 /nfs/dbraw/zinc/24/06/80/816240680.db2.gz NYJRGOJKWIRHIG-KRWDZBQOSA-N 0 3 264.328 3.090 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)C(CC)CC)[C@@H]2C1 ZINC001221660820 816322421 /nfs/dbraw/zinc/32/24/21/816322421.db2.gz BYMZGEFNSYXVSG-DJIMGWMZSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001224198634 816752819 /nfs/dbraw/zinc/75/28/19/816752819.db2.gz RYUQKGKCBXAQQA-GDBMZVCRSA-N 0 3 298.446 3.165 20 30 CGEDHN CCCCCCCCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC001224253867 816761507 /nfs/dbraw/zinc/76/15/07/816761507.db2.gz MYTMKFCHFWSSGZ-INIZCTEOSA-N 0 3 297.487 3.473 20 30 CGEDHN C=CCCO[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224339172 816782533 /nfs/dbraw/zinc/78/25/33/816782533.db2.gz FRYONPVSQQXVOW-GJZGRUSLSA-N 0 3 260.381 3.200 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001224386742 816791168 /nfs/dbraw/zinc/79/11/68/816791168.db2.gz SJMFKJVETRVIMC-WBVHZDCISA-N 0 3 298.446 3.165 20 30 CGEDHN C=CCCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001226535267 817391256 /nfs/dbraw/zinc/39/12/56/817391256.db2.gz RXCDWHLCHKBPBR-UHFFFAOYSA-N 0 3 292.448 3.103 20 30 CGEDHN C[Si](C)(C)C#Cc1ccc(O[C@@H]2CN3CCC2CC3)cc1 ZINC001227431082 817648230 /nfs/dbraw/zinc/64/82/30/817648230.db2.gz AMIZLHWPYALQFF-GOSISDBHSA-N 0 3 299.490 3.389 20 30 CGEDHN Cc1c(F)ccc(CN2CCC3SC(=O)C=C3C2)c1F ZINC001231476781 818104120 /nfs/dbraw/zinc/10/41/20/818104120.db2.gz UIBNUEXHRVNJBL-ZDUSSCGKSA-N 0 3 295.354 3.047 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001231621965 818138180 /nfs/dbraw/zinc/13/81/80/818138180.db2.gz MYEDKAXPVHDNJS-WMZOPIPTSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H](C(C)=O)C2)c1 ZINC001231624902 818140877 /nfs/dbraw/zinc/14/08/77/818140877.db2.gz GWFASYQDOUJBPG-INIZCTEOSA-N 0 3 273.376 3.052 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC001231659924 818151868 /nfs/dbraw/zinc/15/18/68/818151868.db2.gz XAJQHZBJMLYDBR-ZDUSSCGKSA-N 0 3 253.267 3.052 20 30 CGEDHN CC(C)N1CCC(Oc2ccc(C(=O)CC#N)cc2)CC1 ZINC001233524720 818633559 /nfs/dbraw/zinc/63/35/59/818633559.db2.gz DZGNNMNONJEWOR-UHFFFAOYSA-N 0 3 286.375 3.035 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233562316 818643638 /nfs/dbraw/zinc/64/36/38/818643638.db2.gz YJNPMMBEHBLAPO-KNDGBBJPSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001233612821 818658399 /nfs/dbraw/zinc/65/83/99/818658399.db2.gz ZCIDCGVIRCFROU-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN N#C[C@H]1CCCN(Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001233999937 818752503 /nfs/dbraw/zinc/75/25/03/818752503.db2.gz UUUFUVDZJSEXAI-ZDUSSCGKSA-N 0 3 281.359 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234049363 818768285 /nfs/dbraw/zinc/76/82/85/818768285.db2.gz HCRWKFOVNJIPMX-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN CC#CC[C@@H](CC)Oc1cccc2c1CCN(C)C2 ZINC001234422654 818851254 /nfs/dbraw/zinc/85/12/54/818851254.db2.gz ITFLBJKNLIXGFP-OAHLLOKOSA-N 0 3 257.377 3.245 20 30 CGEDHN CC#C[C@@H](CC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234660760 818909098 /nfs/dbraw/zinc/90/90/98/818909098.db2.gz LLNOBAQWUSUQOJ-QGZVFWFLSA-N 0 3 286.419 3.009 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2CC#N)CCC1(F)F ZINC001235512041 819112972 /nfs/dbraw/zinc/11/29/72/819112972.db2.gz OTCQAFATCRMNQB-GFCCVEGCSA-N 0 3 264.319 3.230 20 30 CGEDHN SC1CCN(Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235518760 819114631 /nfs/dbraw/zinc/11/46/31/819114631.db2.gz CIGZAURISMQQLK-UHFFFAOYSA-N 0 3 281.812 3.111 20 30 CGEDHN N#Cc1ccc(-c2ncccc2CN2CCCC2)c(F)c1 ZINC001236528013 819519466 /nfs/dbraw/zinc/51/94/66/819519466.db2.gz QBXWSSRSQKIVLX-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC(S)CC1 ZINC001236834397 819612834 /nfs/dbraw/zinc/61/28/34/819612834.db2.gz YBDVLNSFDIGSGZ-UHFFFAOYSA-N 0 3 273.401 3.440 20 30 CGEDHN CN(Cc1cn2cc(C#N)ccc2n1)CC1CCCCC1 ZINC001237606358 819785977 /nfs/dbraw/zinc/78/59/77/819785977.db2.gz LABIBANVRLEUAU-UHFFFAOYSA-N 0 3 282.391 3.218 20 30 CGEDHN CC(C)(C)N1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237751112 819835722 /nfs/dbraw/zinc/83/57/22/819835722.db2.gz GOCAFPKPWXVBII-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN CCc1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1C#N ZINC001238779017 820116434 /nfs/dbraw/zinc/11/64/34/820116434.db2.gz SLKVFERRYXOTLU-HNNXBMFYSA-N 0 3 276.330 3.352 20 30 CGEDHN CCCCCCCNC(=S)N1CCN[C@H](CCCC)C1 ZINC001239445479 820308909 /nfs/dbraw/zinc/30/89/09/820308909.db2.gz OKGYPZDZNWHXCZ-OAHLLOKOSA-N 0 3 299.528 3.295 20 30 CGEDHN COc1ccc(-c2ccc(C#N)cc2OC)cc1CN(C)C ZINC001241408600 821804132 /nfs/dbraw/zinc/80/41/32/821804132.db2.gz XDUTYILTQWJFHH-UHFFFAOYSA-N 0 3 296.370 3.304 20 30 CGEDHN Cc1cc(-c2ccc3c(N)ccnc3c2)cnc1C#N ZINC001242358654 822965614 /nfs/dbraw/zinc/96/56/14/822965614.db2.gz RRMBGEQQRVCFNR-UHFFFAOYSA-N 0 3 260.300 3.059 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC001340045439 936395866 /nfs/dbraw/zinc/39/58/66/936395866.db2.gz RLOYDODHOXOMGW-GFCCVEGCSA-N 0 3 295.814 3.028 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC)c1cc(F)ccc1F ZINC001340728668 936412439 /nfs/dbraw/zinc/41/24/39/936412439.db2.gz UWLXYNLZEOFUFX-CABCVRRESA-N 0 3 296.361 3.216 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CC2CC1(C)C2 ZINC001340805333 936414845 /nfs/dbraw/zinc/41/48/45/936414845.db2.gz DHDNCDNICSESRY-BBBYJDLNSA-N 0 3 266.429 3.075 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC001340864821 936417308 /nfs/dbraw/zinc/41/73/08/936417308.db2.gz LEVUZFJGRRXRLN-MRXNPFEDSA-N 0 3 289.423 3.153 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(-c2ncco2)ccc1C ZINC001341014124 936423629 /nfs/dbraw/zinc/42/36/29/936423629.db2.gz WNWFVZGQEAFXPC-AWEZNQCLSA-N 0 3 299.374 3.272 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1NC1CCC1 ZINC001341306470 936433624 /nfs/dbraw/zinc/43/36/24/936433624.db2.gz SERDDEODDZXSNF-AWEZNQCLSA-N 0 3 287.407 3.273 20 30 CGEDHN C=CCCCN(CC)C(=O)C[C@@H]1NCc2ccccc21 ZINC001343125959 936489223 /nfs/dbraw/zinc/48/92/23/936489223.db2.gz UCVSXFOYEDTZRR-INIZCTEOSA-N 0 3 272.392 3.036 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC001343188884 936490328 /nfs/dbraw/zinc/49/03/28/936490328.db2.gz RYHGVUGBKPHNIR-GJZGRUSLSA-N 0 3 292.810 3.127 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC001343188887 936490763 /nfs/dbraw/zinc/49/07/63/936490763.db2.gz RYHGVUGBKPHNIR-HUUCEWRRSA-N 0 3 292.810 3.127 20 30 CGEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1cccc(F)n1 ZINC001344004124 936522324 /nfs/dbraw/zinc/52/23/24/936522324.db2.gz JVMFNPRXDCJPLV-SNVBAGLBSA-N 0 3 286.331 3.261 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001344862862 936546625 /nfs/dbraw/zinc/54/66/25/936546625.db2.gz APFZDYABPVZMCL-XQQFMLRXSA-N 0 3 273.380 3.152 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001344865083 936547354 /nfs/dbraw/zinc/54/73/54/936547354.db2.gz YUPJBKAULLZYOW-HOCLYGCPSA-N 0 3 295.386 3.267 20 30 CGEDHN C=CCC[C@H]1CCCN1C(=O)C[C@H](N)c1ccccc1 ZINC001345876016 936827930 /nfs/dbraw/zinc/82/79/30/936827930.db2.gz SGZNIJZOUFXCJT-HOTGVXAUSA-N 0 3 272.392 3.034 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCSC(C)(C)C ZINC001349701980 936958227 /nfs/dbraw/zinc/95/82/27/936958227.db2.gz LKYOKGJEOVTKFC-LBPRGKRZSA-N 0 3 293.436 3.391 20 30 CGEDHN N#Cc1cc(F)cc(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000227418357 926845981 /nfs/dbraw/zinc/84/59/81/926845981.db2.gz JVPZQTUAGLUWJV-GOEBONIOSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)N3CC)CCCCC1 ZINC001481384080 926973668 /nfs/dbraw/zinc/97/36/68/926973668.db2.gz QTZDMBHNVDCQFN-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](C)CC ZINC001481670828 927050294 /nfs/dbraw/zinc/05/02/94/927050294.db2.gz KUFLKAQOOHUPNJ-PVAVHDDUSA-N 0 3 290.451 3.086 20 30 CGEDHN C=CC[C@H](C(=O)N[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001481696364 927062887 /nfs/dbraw/zinc/06/28/87/927062887.db2.gz FRVIXXPHDUFITR-ROUUACIJSA-N 0 3 298.430 3.113 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCCC1(F)F)c1ccccn1 ZINC001356238224 937155668 /nfs/dbraw/zinc/15/56/68/937155668.db2.gz GRJNXWDTYIKFOS-WDEREUQCSA-N 0 3 264.275 3.083 20 30 CGEDHN C/C=C(\C)C(=O)NC[C@@H]1CCN1CCCCCCC ZINC001483641705 927558302 /nfs/dbraw/zinc/55/83/02/927558302.db2.gz PJWQZQOBBZCWTL-JVDKPVQESA-N 0 3 266.429 3.114 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C1(CC=C)CCC1 ZINC001483676330 927566798 /nfs/dbraw/zinc/56/67/98/927566798.db2.gz BUAWTFUEMVZXRF-HZPDHXFCSA-N 0 3 290.451 3.278 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)C(C)(C)CCCCC)CC1 ZINC001484728729 927746104 /nfs/dbraw/zinc/74/61/04/927746104.db2.gz UZSMJKXPHMKSFE-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001485001703 927786654 /nfs/dbraw/zinc/78/66/54/927786654.db2.gz KTBMQCIJCAZOME-UBHSHLNASA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CC(C)C ZINC001485071922 927801632 /nfs/dbraw/zinc/80/16/32/927801632.db2.gz ABHHAFSKEPGTIJ-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001485574608 927893276 /nfs/dbraw/zinc/89/32/76/927893276.db2.gz VCWJVJDWZBRQRY-OAHLLOKOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C)cc1 ZINC001485746280 927912585 /nfs/dbraw/zinc/91/25/85/927912585.db2.gz CRTDWBIOLIULFG-AWEZNQCLSA-N 0 3 294.826 3.236 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)/C=C\c1ccco1)C(C)C ZINC001486361971 928008853 /nfs/dbraw/zinc/00/88/53/928008853.db2.gz ZKMXOKSGAFAYHT-HJWRWDBZSA-N 0 3 290.407 3.038 20 30 CGEDHN C#CCCN(C)CCN(C(=O)CC1(C)CCCC1)C(C)C ZINC001486367996 928010148 /nfs/dbraw/zinc/01/01/48/928010148.db2.gz QQGATPARLWZBSQ-UHFFFAOYSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCCC12CC2)C(C)C ZINC001486369264 928011612 /nfs/dbraw/zinc/01/16/12/928011612.db2.gz JMARBOQWKZZZOX-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1ccccc1)C(C)C ZINC001486378976 928015185 /nfs/dbraw/zinc/01/51/85/928015185.db2.gz SLFRSXWMUCFQBP-INIZCTEOSA-N 0 3 288.435 3.145 20 30 CGEDHN COc1cccc([C@H](C/N=C/c2ccccc2O)N(C)C)c1 ZINC000005292364 928124279 /nfs/dbraw/zinc/12/42/79/928124279.db2.gz SPRMLQULUBWHDT-DAQNXSASSA-N 0 3 298.386 3.123 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC2CC(C)(C)C2)C1 ZINC001488849117 928300959 /nfs/dbraw/zinc/30/09/59/928300959.db2.gz RWCDDLQTMBITJO-MQMHXKEQSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(CC)(CC)CC)[C@H]1CC ZINC001489136648 928316672 /nfs/dbraw/zinc/31/66/72/928316672.db2.gz WFSSILDWKCNROR-LSDHHAIUSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001490593848 928375552 /nfs/dbraw/zinc/37/55/52/928375552.db2.gz ACTZXCXWZPFAGT-VSZOKUSCSA-N 0 3 296.842 3.066 20 30 CGEDHN CC(C)(C)[C@H]1CCCN(Cc2cc(C#N)ccn2)C1 ZINC001460018398 937511239 /nfs/dbraw/zinc/51/12/39/937511239.db2.gz CYNPBYNZZFUNPH-AWEZNQCLSA-N 0 3 257.381 3.211 20 30 CGEDHN C#CCCN1CCc2c(ccc(OC)c2OC)[C@H]1CC ZINC001460344694 937527619 /nfs/dbraw/zinc/52/76/19/937527619.db2.gz QZXIZFATIRBXGK-OAHLLOKOSA-N 0 3 273.376 3.036 20 30 CGEDHN C=C(C)CN(C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001460356911 937528472 /nfs/dbraw/zinc/52/84/72/937528472.db2.gz ALRFARQGRRKKPV-UHFFFAOYSA-N 0 3 280.412 3.036 20 30 CGEDHN C=CCN(CC(=O)N(C)[C@H](C)CC(C)C)C(C)(C)C ZINC001460459616 937532137 /nfs/dbraw/zinc/53/21/37/937532137.db2.gz SBLGHJMDZZPOOT-CQSZACIVSA-N 0 3 268.445 3.166 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@](C)(CC)CCCCC ZINC001157172864 931978950 /nfs/dbraw/zinc/97/89/50/931978950.db2.gz YTEHQPSYMAUCGK-AEFFLSMTSA-N 0 3 294.483 3.443 20 30 CGEDHN CCC#C[C@H](C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303042 932129404 /nfs/dbraw/zinc/12/94/04/932129404.db2.gz PHBQZBLRTKNTDA-AWEZNQCLSA-N 0 3 273.376 3.002 20 30 CGEDHN C#Cc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC001461580057 937587000 /nfs/dbraw/zinc/58/70/00/937587000.db2.gz KPSRUNPDTVHYQE-UHFFFAOYSA-N 0 3 260.340 3.439 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230607853 932596426 /nfs/dbraw/zinc/59/64/26/932596426.db2.gz HNNDHPMVEDXTSS-INIZCTEOSA-N 0 3 280.456 3.290 20 30 CGEDHN C#C[C@@H](N[C@H]1CCCN(CC)C1)c1ccc(Cl)cc1F ZINC001462224898 937626098 /nfs/dbraw/zinc/62/60/98/937626098.db2.gz JQWKXZZLJCYRST-XJKSGUPXSA-N 0 3 294.801 3.227 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2CCCCC)C1 ZINC001316601396 932745637 /nfs/dbraw/zinc/74/56/37/932745637.db2.gz CACZXNAKSYBNAP-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001492027566 932804161 /nfs/dbraw/zinc/80/41/61/932804161.db2.gz FMCDYONKNOWZQY-CABCVRRESA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001492426672 932817432 /nfs/dbraw/zinc/81/74/32/932817432.db2.gz YEGAZDGVHVFMLW-UHFFFAOYSA-N 0 3 298.386 3.184 20 30 CGEDHN C[C@@H]1Cc2n[nH]cc2CN(CCCCC(C)(C)C#N)C1 ZINC001308076371 933044277 /nfs/dbraw/zinc/04/42/77/933044277.db2.gz BIXDIZKHZZDURG-CYBMUJFWSA-N 0 3 274.412 3.124 20 30 CGEDHN C#CCC1(NCc2cc3c(cc2Cl)OCCO3)CCC1 ZINC001308102339 933047398 /nfs/dbraw/zinc/04/73/98/933047398.db2.gz ZJAWDIRZDTUWIG-UHFFFAOYSA-N 0 3 291.778 3.147 20 30 CGEDHN C=CCc1cc(CNCCC(F)(F)F)cc(OC)c1O ZINC001308287121 933088943 /nfs/dbraw/zinc/08/89/43/933088943.db2.gz RDUSJMZIZUJVPI-UHFFFAOYSA-N 0 3 289.297 3.171 20 30 CGEDHN C#CC1(NCc2ccc(OCC)c(F)c2)CCCC1 ZINC001308501037 933120892 /nfs/dbraw/zinc/12/08/92/933120892.db2.gz OFDYWDJCYMCDEZ-UHFFFAOYSA-N 0 3 261.340 3.260 20 30 CGEDHN C=C(C)[C@@H](N[C@@H]1CCCN(C)C1)c1ccc(F)c(F)c1 ZINC001308698206 933160297 /nfs/dbraw/zinc/16/02/97/933160297.db2.gz YTEOYXHGPLPRAD-CZUORRHYSA-N 0 3 280.362 3.266 20 30 CGEDHN C=CCC1(NC(=O)NC[C@@H]2CCCCN2C)CCCCC1 ZINC001313376171 933447891 /nfs/dbraw/zinc/44/78/91/933447891.db2.gz MOCVHWGXMWOAAL-HNNXBMFYSA-N 0 3 293.455 3.049 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001317177122 933546695 /nfs/dbraw/zinc/54/66/95/933546695.db2.gz RTNYRQTWVJTAKR-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001317208842 933553343 /nfs/dbraw/zinc/55/33/43/933553343.db2.gz MCSFJLDVKLNMQX-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(CC)CCNC(=O)C/C=C/c1ccc(C)cc1 ZINC001317491011 933601474 /nfs/dbraw/zinc/60/14/74/933601474.db2.gz DAFYRWWIMZFGJM-VOTSOKGWSA-N 0 3 286.419 3.022 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccccc2C(F)F)CC1 ZINC001464923125 937696680 /nfs/dbraw/zinc/69/66/80/937696680.db2.gz XNARSQWNHSOBAF-UHFFFAOYSA-N 0 3 294.345 3.004 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H](C)CCC)C1 ZINC001318458058 933729349 /nfs/dbraw/zinc/72/93/49/933729349.db2.gz MVRUSUYAXCVKCD-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN N#CCOc1cccc(CNCc2ccc3c(c2)CCC3)c1 ZINC001318797560 933780614 /nfs/dbraw/zinc/78/06/14/933780614.db2.gz PJOZCGBTKNGADI-UHFFFAOYSA-N 0 3 292.382 3.367 20 30 CGEDHN C#CCCN(C)CCN(C)C(=O)CC1CCC(C)(C)CC1 ZINC001320096675 933998657 /nfs/dbraw/zinc/99/86/57/933998657.db2.gz OSOXCVQOFMIDHR-UHFFFAOYSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCO[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001320160830 934011285 /nfs/dbraw/zinc/01/12/85/934011285.db2.gz RWTPYJCJGSDIRC-DZGCQCFKSA-N 0 3 290.363 3.241 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CCc2ccc(Br)cc21 ZINC001321225747 934164337 /nfs/dbraw/zinc/16/43/37/934164337.db2.gz PXXXYZJLIXWKMT-TZMCWYRMSA-N 0 3 296.208 3.227 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CCc2ccc(Br)cc21 ZINC001321225745 934164423 /nfs/dbraw/zinc/16/44/23/934164423.db2.gz PXXXYZJLIXWKMT-JSGCOSHPSA-N 0 3 296.208 3.227 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001323262453 934376273 /nfs/dbraw/zinc/37/62/73/934376273.db2.gz NRLHUGSGINOCRD-UERKLNTKSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccccc2OC(C)C)C1 ZINC001323786267 934426269 /nfs/dbraw/zinc/42/62/69/934426269.db2.gz UODLWFZGMYFYJD-INIZCTEOSA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCCCCN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC001473183955 937796468 /nfs/dbraw/zinc/79/64/68/937796468.db2.gz CCCAJVLBXNMAEG-QGZVFWFLSA-N 0 3 286.419 3.470 20 30 CGEDHN C=C[C@@H](COC)NC/C(C)=C\c1ccccc1COC ZINC001326198025 934958712 /nfs/dbraw/zinc/95/87/12/934958712.db2.gz WIWLUFBPRWFSKM-QXSWTLKVSA-N 0 3 275.392 3.027 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cnn(-c2ccccc2)n1 ZINC001473638466 937815325 /nfs/dbraw/zinc/81/53/25/937815325.db2.gz VPSGWOLWHQJMCY-QAPCUYQASA-N 0 3 296.418 3.492 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC001329575478 935229071 /nfs/dbraw/zinc/22/90/71/935229071.db2.gz TYHZYNSXBBBEOZ-HOTGVXAUSA-N 0 3 288.435 3.193 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC001329746375 935243639 /nfs/dbraw/zinc/24/36/39/935243639.db2.gz UKILLNHXPMUCGM-IINYFYTJSA-N 0 3 269.747 3.257 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2ccsc2)C1 ZINC001331545185 935390665 /nfs/dbraw/zinc/39/06/65/935390665.db2.gz FBPIZVHZJPZDRZ-CYBMUJFWSA-N 0 3 292.448 3.041 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@H](NC/C=C\Cl)C(C)(C)C1 ZINC001332414509 935467696 /nfs/dbraw/zinc/46/76/96/935467696.db2.gz ZLWJPGIOERYHMG-BYTACQFHSA-N 0 3 298.858 3.168 20 30 CGEDHN C=C1CCC(C(=O)NCc2ccccc2CN(C)C)CC1 ZINC001332717713 935484677 /nfs/dbraw/zinc/48/46/77/935484677.db2.gz MMGSOFPOMQVQPG-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN CO[C@@H](CNCc1csc(C#N)c1)c1ccc(F)cc1 ZINC001333505168 935541282 /nfs/dbraw/zinc/54/12/82/935541282.db2.gz PTQSHIYPHCNRJC-HNNXBMFYSA-N 0 3 290.363 3.236 20 30 CGEDHN N#CCC1CCN(C/C=C/c2cccc(F)c2)CC1 ZINC001333704810 936057884 /nfs/dbraw/zinc/05/78/84/936057884.db2.gz BXSODNYCJWEOST-DUXPYHPUSA-N 0 3 258.340 3.465 20 30 CGEDHN C=CCN1CCC(Nc2cc3c(cccc3OC)cn2)CC1 ZINC001336697797 936207543 /nfs/dbraw/zinc/20/75/43/936207543.db2.gz MUVHKUDUFJKQTH-UHFFFAOYSA-N 0 3 297.402 3.306 20 30 CGEDHN C#C[C@@H](NCC1(COC)CCC1)c1ccc(Cl)cc1 ZINC001474557716 937866875 /nfs/dbraw/zinc/86/68/75/937866875.db2.gz UOLNCLZNMQQNKP-OAHLLOKOSA-N 0 3 277.795 3.421 20 30 CGEDHN CCc1cccc(CNCc2cc(C#N)ccc2F)c1O ZINC001474708414 937876014 /nfs/dbraw/zinc/87/60/14/937876014.db2.gz VCGULACYBSBIFU-UHFFFAOYSA-N 0 3 284.334 3.255 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001479402220 937920604 /nfs/dbraw/zinc/92/06/04/937920604.db2.gz AVBYBMBHACNLMH-UBHSHLNASA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001479402218 937920732 /nfs/dbraw/zinc/92/07/32/937920732.db2.gz AVBYBMBHACNLMH-MRVWCRGKSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCC[C@H]1CN(C)CC=C ZINC001479735589 937924633 /nfs/dbraw/zinc/92/46/33/937924633.db2.gz VGRNERWEGICCNF-KRWDZBQOSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(CC)cc1 ZINC001480809477 937944652 /nfs/dbraw/zinc/94/46/52/937944652.db2.gz HLCAKCQNTLQKLK-CYBMUJFWSA-N 0 3 294.826 3.100 20 30 CGEDHN C#CCN(CCC)CCNC(=O)CCC1CCCCCC1 ZINC001493306198 937949235 /nfs/dbraw/zinc/94/92/35/937949235.db2.gz APDDWGWSAOEMFK-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1c(C)coc1C)c1ccccc1 ZINC001493888224 937952002 /nfs/dbraw/zinc/95/20/02/937952002.db2.gz AJDGIRFJYBJYRJ-INIZCTEOSA-N 0 3 298.386 3.143 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](CC)CCCC)C1 ZINC001494800209 937956309 /nfs/dbraw/zinc/95/63/09/937956309.db2.gz BROXEFIVVSPSDA-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001494870006 937957127 /nfs/dbraw/zinc/95/71/27/937957127.db2.gz XTAYXCPJMOCTQM-SJLPKXTDSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001496386525 937962332 /nfs/dbraw/zinc/96/23/32/937962332.db2.gz BAQMMRWALGWYMS-HNNXBMFYSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(C)CCC(=O)N(C)CCCNCC=C(Cl)Cl ZINC001498554941 937970323 /nfs/dbraw/zinc/97/03/23/937970323.db2.gz ZJLKOBSLPMRHRJ-UHFFFAOYSA-N 0 3 293.238 3.100 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CC2CC2)CCCCC1 ZINC001499128357 937972761 /nfs/dbraw/zinc/97/27/61/937972761.db2.gz WQEMHAFNUVQIQN-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001499558871 937973783 /nfs/dbraw/zinc/97/37/83/937973783.db2.gz JXKQVBSNSGPOGU-IYBDPMFKSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccoc1C ZINC001501658279 937979977 /nfs/dbraw/zinc/97/99/77/937979977.db2.gz LPYNEOVABGANQS-UHFFFAOYSA-N 0 3 298.386 3.136 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)C2CC2)cc1 ZINC001501681343 937980213 /nfs/dbraw/zinc/98/02/13/937980213.db2.gz GYIPOMWAOCNUOD-LSDHHAIUSA-N 0 3 298.430 3.023 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)[C@](C)(CC)CCC ZINC001502385111 937982148 /nfs/dbraw/zinc/98/21/48/937982148.db2.gz JTAXMCWPJSCAGB-QGZVFWFLSA-N 0 3 280.456 3.006 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccsc2)[C@@H](C)C1 ZINC001502907365 937983752 /nfs/dbraw/zinc/98/37/52/937983752.db2.gz VWOFMNUNRCCGLS-DZGCQCFKSA-N 0 3 292.448 3.183 20 30 CGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001506577917 937990842 /nfs/dbraw/zinc/99/08/42/937990842.db2.gz DMTIQILFLBUICX-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001506567049 937990852 /nfs/dbraw/zinc/99/08/52/937990852.db2.gz XKIOUMLKMPTZRR-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001517047042 938011079 /nfs/dbraw/zinc/01/10/79/938011079.db2.gz RSFJYRVOEQPABN-FRRDWIJNSA-N 0 3 299.761 3.053 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1ncc(F)cc1F)C1CCCC1 ZINC001520455893 938025738 /nfs/dbraw/zinc/02/57/38/938025738.db2.gz OGPXBDRUWVJOKA-BXKDBHETSA-N 0 3 278.302 3.362 20 30 CGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)c1ncc(F)cc1F ZINC001520447863 938025743 /nfs/dbraw/zinc/02/57/43/938025743.db2.gz CIAGSVTUKBOAMF-CBAPKCEASA-N 0 3 288.244 3.217 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CCC)CC1 ZINC001520715007 938027115 /nfs/dbraw/zinc/02/71/15/938027115.db2.gz MBLLVUOWNGQOAX-INIZCTEOSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)c1cc2c(s1)CNCC2 ZINC001522278730 938036219 /nfs/dbraw/zinc/03/62/19/938036219.db2.gz NJOLRVQKTPNLNW-UHFFFAOYSA-N 0 3 292.448 3.116 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCC1(C)C ZINC001526588124 938056446 /nfs/dbraw/zinc/05/64/46/938056446.db2.gz WOYCWCXFOVHQJP-NXEZZACHSA-N 0 3 279.771 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(C(C)(C)C)cn1 ZINC001526594639 938056550 /nfs/dbraw/zinc/05/65/50/938056550.db2.gz QOXJUGXBKDMRCD-ZDUSSCGKSA-N 0 3 296.374 3.086 20 30 CGEDHN C#Cc1ccc(CNCc2ccccc2NCC)cc1 ZINC001560477934 938259740 /nfs/dbraw/zinc/25/97/40/938259740.db2.gz BQKUVWOHOQBRTI-UHFFFAOYSA-N 0 3 264.372 3.390 20 30 CGEDHN C(#Cc1ccccc1)CNCc1cccc2ncccc12 ZINC001561000256 938288887 /nfs/dbraw/zinc/28/88/87/938288887.db2.gz ORAQPRSOJPGBFF-UHFFFAOYSA-N 0 3 272.351 3.376 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCCC(CC)(CC)C1 ZINC001574903493 960467713 /nfs/dbraw/zinc/46/77/13/960467713.db2.gz SDWPOYPUBXKGQJ-AWEZNQCLSA-N 0 3 266.429 3.099 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC001574902797 960470635 /nfs/dbraw/zinc/47/06/35/960470635.db2.gz GXWQHELDZQKQGS-HZPDHXFCSA-N 0 3 278.440 3.241 20 30 CGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC(C)(C)CC)C1 ZINC001566962819 961071843 /nfs/dbraw/zinc/07/18/43/961071843.db2.gz MCNYORAKKQZXRQ-HOTGVXAUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C=C1CCC1 ZINC001567247592 961157751 /nfs/dbraw/zinc/15/77/51/961157751.db2.gz MRYNXMNEIVUING-HNNXBMFYSA-N 0 3 296.842 3.210 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)/C(C)=C\CC)c1ccccc1 ZINC001567656463 961380442 /nfs/dbraw/zinc/38/04/42/961380442.db2.gz PEXNRLWAEPFVDT-BAPRJRNISA-N 0 3 286.419 3.366 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C ZINC001567863334 961444117 /nfs/dbraw/zinc/44/41/17/961444117.db2.gz ZHMQXBQBXVUSSP-HOTGVXAUSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001567922718 961468282 /nfs/dbraw/zinc/46/82/82/961468282.db2.gz XZHAGEQVMSOODZ-HUUCEWRRSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC2 ZINC001568253023 961527029 /nfs/dbraw/zinc/52/70/29/961527029.db2.gz VSKRAMIACFRIHQ-HOTGVXAUSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001569346082 961745585 /nfs/dbraw/zinc/74/55/85/961745585.db2.gz AXIOKEOTGGSMMV-IUODEOHRSA-N 0 3 290.407 3.055 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CC2(C)CCCC2)C1 ZINC001569712909 961829950 /nfs/dbraw/zinc/82/99/50/961829950.db2.gz FUFXCRGNYLIGRO-SFHVURJKSA-N 0 3 292.467 3.361 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001569724505 961838002 /nfs/dbraw/zinc/83/80/02/961838002.db2.gz YHLDYUBRSHRKHT-SFHVURJKSA-N 0 3 294.483 3.463 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001570824866 962095571 /nfs/dbraw/zinc/09/55/71/962095571.db2.gz HHWSUNUOMOFAMZ-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1CCC ZINC001574908089 962329617 /nfs/dbraw/zinc/32/96/17/962329617.db2.gz CUCYWYMOAHMBNK-JYJNAYRXSA-N 0 3 280.456 3.393 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC(C)(CC(C)C)CC1 ZINC001574903049 962330085 /nfs/dbraw/zinc/33/00/85/962330085.db2.gz KKMVKNOAIPCBEZ-HNNXBMFYSA-N 0 3 280.456 3.345 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nncn2-c2ccccc2)C1 ZINC000651676263 398267366 /nfs/dbraw/zinc/26/73/66/398267366.db2.gz UOPQPYVZIOZXMN-LSDHHAIUSA-N 0 3 282.391 3.102 20 30 CGEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nnc(C(C)C)[n-]2)C1 ZINC000651745966 398280739 /nfs/dbraw/zinc/28/07/39/398280739.db2.gz BSMDSQRJXXOBGD-UPJWGTAASA-N 0 3 262.401 3.324 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2nnc(C(C)C)[nH]2)C1 ZINC000651745966 398280741 /nfs/dbraw/zinc/28/07/41/398280741.db2.gz BSMDSQRJXXOBGD-UPJWGTAASA-N 0 3 262.401 3.324 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cn3cccc(C)c3n2)C1 ZINC000651752586 398282530 /nfs/dbraw/zinc/28/25/30/398282530.db2.gz LXFXIEHMHXZOKF-CABCVRRESA-N 0 3 269.392 3.477 20 30 CGEDHN C[C@H](CCC#N)N1CCC2(CC1)OCc1ccccc12 ZINC000591016766 346894627 /nfs/dbraw/zinc/89/46/27/346894627.db2.gz WZZDSJKZFVKYKF-CQSZACIVSA-N 0 3 270.376 3.200 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000591255931 346912391 /nfs/dbraw/zinc/91/23/91/346912391.db2.gz IPLMNOXVIVUDBC-KWBADKCTSA-N 0 3 250.292 3.253 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000591610846 346930918 /nfs/dbraw/zinc/93/09/18/346930918.db2.gz NWGMEZGWYKKTIR-ZVWUFJHRSA-N 0 3 262.303 3.234 20 30 CGEDHN CN1CC[C@@H](NCc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000366989015 529795773 /nfs/dbraw/zinc/79/57/73/529795773.db2.gz VQNFAQCWGJVNAM-MOPGFXCFSA-N 0 3 291.398 3.093 20 30 CGEDHN CCCc1cc(N2CC[C@@](O)(CC#N)C2)c2ccccc2n1 ZINC000591973143 346952171 /nfs/dbraw/zinc/95/21/71/346952171.db2.gz CBLBSVQKGJOXAE-SFHVURJKSA-N 0 3 295.386 3.042 20 30 CGEDHN C=CC(C)(C)CCNCc1cn(-c2ccccc2C)nn1 ZINC000623593189 349843424 /nfs/dbraw/zinc/84/34/24/349843424.db2.gz YDGXXVZBGGPLCB-UHFFFAOYSA-N 0 3 284.407 3.268 20 30 CGEDHN CCC(CC)CN(CCC#N)CCC[C@@H]1CCOC1 ZINC000592072160 346960719 /nfs/dbraw/zinc/96/07/19/346960719.db2.gz XUJVUQXMLRLSSG-MRXNPFEDSA-N 0 3 266.429 3.455 20 30 CGEDHN C[C@H]1CC2(CN1Cc1cccc(C#N)c1F)CCOCC2 ZINC000592185101 346970070 /nfs/dbraw/zinc/97/00/70/346970070.db2.gz VVXAMLWLYRNTHN-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1 ZINC000592374355 346980204 /nfs/dbraw/zinc/98/02/04/346980204.db2.gz BTAAWCPOXYLXMC-PHIMTYICSA-N 0 3 264.394 3.055 20 30 CGEDHN C[C@@H]1CC2(CN1Cc1cc(C#N)cs1)CCOCC2 ZINC000592528418 346996975 /nfs/dbraw/zinc/99/69/75/346996975.db2.gz RLAWLAZIRYRSJW-GFCCVEGCSA-N 0 3 276.405 3.011 20 30 CGEDHN Cc1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1C#N ZINC000593119352 347042261 /nfs/dbraw/zinc/04/22/61/347042261.db2.gz WILCEYZBZLJKLA-AWEZNQCLSA-N 0 3 262.303 3.098 20 30 CGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)CC1CCC1 ZINC000437151318 529984146 /nfs/dbraw/zinc/98/41/46/529984146.db2.gz FTGLMCIEMBOHDV-UHFFFAOYSA-N 0 3 280.318 3.392 20 30 CGEDHN Cc1ccsc1CN(C)CCOc1ccc(C#N)cc1 ZINC000061798591 345234447 /nfs/dbraw/zinc/23/44/47/345234447.db2.gz DDBNHDLSULBKQK-UHFFFAOYSA-N 0 3 286.400 3.439 20 30 CGEDHN CCO[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000076403438 345542696 /nfs/dbraw/zinc/54/26/96/345542696.db2.gz QEPZXZDFYFCMEU-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nc(C)cs1 ZINC000623977213 349934318 /nfs/dbraw/zinc/93/43/18/349934318.db2.gz KPUPPFHOSGCPAF-UPJWGTAASA-N 0 3 266.410 3.083 20 30 CGEDHN CCN1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 ZINC000092886387 345861298 /nfs/dbraw/zinc/86/12/98/345861298.db2.gz OCRNQSOIFHNJQP-UHFFFAOYSA-N 0 3 280.375 3.003 20 30 CGEDHN C=CCN1CCC(NC(=O)N(CCCC)CCCC)CC1 ZINC000171741337 346210514 /nfs/dbraw/zinc/21/05/14/346210514.db2.gz XESHURNBQZVWMU-UHFFFAOYSA-N 0 3 295.471 3.249 20 30 CGEDHN C=CCCCCCN1CCCN(CC(F)F)CC1 ZINC000193459891 346269419 /nfs/dbraw/zinc/26/94/19/346269419.db2.gz QEIWOYRYDGWXGY-UHFFFAOYSA-N 0 3 260.372 3.006 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCC(=C)Cl)cc1 ZINC000289675481 346423852 /nfs/dbraw/zinc/42/38/52/346423852.db2.gz HMMGZASUAIWUOV-TZMCWYRMSA-N 0 3 281.783 3.015 20 30 CGEDHN COC[C@H](CC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC000593639829 347098636 /nfs/dbraw/zinc/09/86/36/347098636.db2.gz AHWOUDZVKIFWML-AWEZNQCLSA-N 0 3 278.371 3.238 20 30 CGEDHN CCOC(=O)C(C)(C)CCC[C@@H](C)NCC1(C#N)CCC1 ZINC000593632728 347097452 /nfs/dbraw/zinc/09/74/52/347097452.db2.gz IQIVNFLNLSYPFN-CQSZACIVSA-N 0 3 294.439 3.418 20 30 CGEDHN CC(C)[C@H]1C[C@@H](NCC2(C#N)CCCC2)CS1 ZINC000593654784 347100820 /nfs/dbraw/zinc/10/08/20/347100820.db2.gz OHNBZFAQCWCTFT-CHWSQXEVSA-N 0 3 252.427 3.190 20 30 CGEDHN C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)N1[C@H](C)CC[C@@H]1C ZINC000412224181 346607567 /nfs/dbraw/zinc/60/75/67/346607567.db2.gz ZJDBRQJEBYTKOG-ZNMIVQPWSA-N 0 3 293.455 3.036 20 30 CGEDHN CC(C)c1cnc(CN[C@H]2CC[C@@H](CC#N)C2)s1 ZINC000449446758 346619061 /nfs/dbraw/zinc/61/90/61/346619061.db2.gz STKNGCPJYGRZFL-RYUDHWBXSA-N 0 3 263.410 3.438 20 30 CGEDHN C[C@@H](CCC#N)CN1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000585727846 346727878 /nfs/dbraw/zinc/72/78/78/346727878.db2.gz XIXDPHHBBCXCND-JSGCOSHPSA-N 0 3 288.395 3.066 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)CCCCCC#N ZINC000588756232 346767318 /nfs/dbraw/zinc/76/73/18/346767318.db2.gz MIBNYNZTIIGBLB-UHFFFAOYSA-N 0 3 287.407 3.469 20 30 CGEDHN CC(C)(CCC#N)CNCc1nc2c(s1)CCCC2 ZINC000588929531 346776583 /nfs/dbraw/zinc/77/65/83/346776583.db2.gz JXPSUDCWUUUUDK-UHFFFAOYSA-N 0 3 277.437 3.441 20 30 CGEDHN C=CCC[C@H](CC)NCc1ccc(C(=O)OCC)o1 ZINC000589198051 346789575 /nfs/dbraw/zinc/78/95/75/346789575.db2.gz SAIADONPYPLHHN-LBPRGKRZSA-N 0 3 265.353 3.291 20 30 CGEDHN CC[C@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCOC1 ZINC000589512858 346799203 /nfs/dbraw/zinc/79/92/03/346799203.db2.gz MBQGHKUMFMIQNZ-AWEZNQCLSA-N 0 3 298.308 3.236 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](OC2CCC2)C1 ZINC000594027378 347139280 /nfs/dbraw/zinc/13/92/80/347139280.db2.gz TVTHHUXQEQEBCL-SFHVURJKSA-N 0 3 284.403 3.400 20 30 CGEDHN C[C@H]1CC[C@H](CNC2(c3ccc(C#N)cc3)CCC2)O1 ZINC000594033422 347141059 /nfs/dbraw/zinc/14/10/59/347141059.db2.gz PRGHPLGORGEKQN-XJKSGUPXSA-N 0 3 270.376 3.095 20 30 CGEDHN CC[C@H](NCc1cc(C#N)ccc1F)[C@H]1CCCCO1 ZINC000594042126 347143059 /nfs/dbraw/zinc/14/30/59/347143059.db2.gz GRKCKZHKBPTSHN-JKSUJKDBSA-N 0 3 276.355 3.135 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cc(C(=O)OC)oc1C ZINC000594607936 347201920 /nfs/dbraw/zinc/20/19/20/347201920.db2.gz WDZWRSKMCSSUKO-LLVKDONJSA-N 0 3 265.353 3.209 20 30 CGEDHN N#Cc1ccc(C2(NCc3ccc(O)cc3)CCC2)cc1 ZINC000594626589 347204680 /nfs/dbraw/zinc/20/46/80/347204680.db2.gz ZXOCBSAKFXOIIP-UHFFFAOYSA-N 0 3 278.355 3.433 20 30 CGEDHN CC(C)OC(=O)C[C@H](NCc1cc(C#N)cs1)C(C)C ZINC000594624462 347204708 /nfs/dbraw/zinc/20/47/08/347204708.db2.gz PWPGSPGLFSMCOM-AWEZNQCLSA-N 0 3 294.420 3.076 20 30 CGEDHN N#CCCCCC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000594442788 347174930 /nfs/dbraw/zinc/17/49/30/347174930.db2.gz VHTIIUFOWMQNHW-KRWDZBQOSA-N 0 3 295.386 3.040 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)C1CCC(F)CC1 ZINC000594989064 347250446 /nfs/dbraw/zinc/25/04/46/347250446.db2.gz GDCBPVIPXOEWAE-WHXUTIOJSA-N 0 3 267.373 3.021 20 30 CGEDHN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1ccc(C#N)cc1 ZINC000594733234 347214988 /nfs/dbraw/zinc/21/49/88/347214988.db2.gz ZTCIASZYLPFSLO-XJKCOSOUSA-N 0 3 258.365 3.166 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000594997213 347252256 /nfs/dbraw/zinc/25/22/56/347252256.db2.gz JASJFUMLPLJWHV-QGZVFWFLSA-N 0 3 290.382 3.382 20 30 CGEDHN COc1cccc(CNCc2ccc(C#N)s2)c1C ZINC000594999473 347252767 /nfs/dbraw/zinc/25/27/67/347252767.db2.gz SUICCWLYVKSVCO-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594923574 347230659 /nfs/dbraw/zinc/23/06/59/347230659.db2.gz ZNIUZBOVQIFNAB-CYBMUJFWSA-N 0 3 294.402 3.135 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(F)c(F)c2F)C1 ZINC000594947682 347238525 /nfs/dbraw/zinc/23/85/25/347238525.db2.gz BQMWZGNIFXIDJG-ONGXEEELSA-N 0 3 268.282 3.276 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000594962826 347243072 /nfs/dbraw/zinc/24/30/72/347243072.db2.gz KXVCNPVZHIUWPS-AAEUAGOBSA-N 0 3 261.394 3.239 20 30 CGEDHN CCSC1(CNCc2ccc(C#N)cc2F)CC1 ZINC000594986229 347249407 /nfs/dbraw/zinc/24/94/07/347249407.db2.gz AXIJTMZRCORIMO-UHFFFAOYSA-N 0 3 264.369 3.073 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H]1COC(C)(C)C1 ZINC000595292155 347287646 /nfs/dbraw/zinc/28/76/46/347287646.db2.gz ZRIOVNYEVIQAOW-INIZCTEOSA-N 0 3 272.392 3.338 20 30 CGEDHN CCN(CCO[C@@H]1CC1(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000595294635 347288535 /nfs/dbraw/zinc/28/85/35/347288535.db2.gz AEKNGZIIGFRIFF-IUODEOHRSA-N 0 3 294.345 3.365 20 30 CGEDHN N#C[C@@H](c1ccccc1)N1CCN(CCC2CCC2)CC1 ZINC000595377240 347296890 /nfs/dbraw/zinc/29/68/90/347296890.db2.gz NJTNRRRZDJSEHJ-SFHVURJKSA-N 0 3 283.419 3.059 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)C(C)(C)C(F)F ZINC000595052439 347269815 /nfs/dbraw/zinc/26/98/15/347269815.db2.gz RGIDKFIBIDOZNE-SECBINFHSA-N 0 3 270.298 3.467 20 30 CGEDHN C[C@@H](NC[C@]1(C)CC1(F)F)c1ccc(C#N)cc1F ZINC000595081834 347279561 /nfs/dbraw/zinc/27/95/61/347279561.db2.gz SHLSOUNHJQEISB-RNCFNFMXSA-N 0 3 268.282 3.393 20 30 CGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@]1(C)CCCO1 ZINC000595091591 347281237 /nfs/dbraw/zinc/28/12/37/347281237.db2.gz RSQKXUYNGHBPEP-KBPBESRZSA-N 0 3 250.386 3.008 20 30 CGEDHN COc1ccc(C#N)cc1CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595703846 347343757 /nfs/dbraw/zinc/34/37/57/347343757.db2.gz AEXYJWWCEHNHOX-SCLBCKFNSA-N 0 3 292.382 3.385 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](CCF)C2)cc1F ZINC000595754791 347350436 /nfs/dbraw/zinc/35/04/36/347350436.db2.gz CBHPELJHUDQGPQ-GFCCVEGCSA-N 0 3 264.319 3.269 20 30 CGEDHN N#Cc1cccc(C2(NCC3=CCCC3)CCOCC2)c1 ZINC000595768608 347353218 /nfs/dbraw/zinc/35/32/18/347353218.db2.gz JFQFLVNMDUAFHW-UHFFFAOYSA-N 0 3 282.387 3.264 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000595778952 347355387 /nfs/dbraw/zinc/35/53/87/347355387.db2.gz WJTWDEPGYQHCFK-CVEARBPZSA-N 0 3 299.418 3.169 20 30 CGEDHN N#Cc1ccc(CCN2CCCc3occc3C2)cc1 ZINC000595491444 347311386 /nfs/dbraw/zinc/31/13/86/347311386.db2.gz WRNWKDIOAVSBKB-UHFFFAOYSA-N 0 3 266.344 3.142 20 30 CGEDHN N#Cc1ccc(CCN2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000595559529 347319195 /nfs/dbraw/zinc/31/91/95/347319195.db2.gz FMESLVRPMZETNJ-GOSISDBHSA-N 0 3 284.403 3.134 20 30 CGEDHN N#CCC[C@@H](C#N)CNC1CCC(C2CCC2)CC1 ZINC000596066001 347379088 /nfs/dbraw/zinc/37/90/88/347379088.db2.gz LQJXQQNLQVFBDH-JEYLPNPQSA-N 0 3 259.397 3.378 20 30 CGEDHN C[C@H](N[C@H]1CCc2cc(N)ccc21)c1cccc(C#N)c1 ZINC000596652259 347498458 /nfs/dbraw/zinc/49/84/58/347498458.db2.gz OVRPOIIKXKBRHA-SGTLLEGYSA-N 0 3 277.371 3.479 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000597174740 347544463 /nfs/dbraw/zinc/54/44/63/347544463.db2.gz UNFMGSSRGLAHPH-AWEZNQCLSA-N 0 3 280.375 3.202 20 30 CGEDHN N#CCC[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000597066098 347532159 /nfs/dbraw/zinc/53/21/59/347532159.db2.gz OLPBYFOEYPOWOS-YESZJQIVSA-N 0 3 270.376 3.189 20 30 CGEDHN CCN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCOC1 ZINC000597156924 347541612 /nfs/dbraw/zinc/54/16/12/347541612.db2.gz CLAWBYUYGQGMBA-QGZVFWFLSA-N 0 3 284.403 3.243 20 30 CGEDHN COc1ccc(CN2CCC[C@H](CC#N)C2)cc1C ZINC000597172514 347543116 /nfs/dbraw/zinc/54/31/16/347543116.db2.gz BVDNHDCMVOPAPL-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN N#CCCCOc1cccc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000597222748 347556926 /nfs/dbraw/zinc/55/69/26/347556926.db2.gz HAOAHDFVJUVOEN-HOTGVXAUSA-N 0 3 270.376 3.211 20 30 CGEDHN C[C@@H](CCc1ccccc1)CN1CC[C@@](C)(C#N)C1 ZINC000597232037 347560189 /nfs/dbraw/zinc/56/01/89/347560189.db2.gz RCCPQUAVGLPXHT-RDJZCZTQSA-N 0 3 256.393 3.491 20 30 CGEDHN CC1(C)CN(Cc2ccc(C#N)o2)CCc2ccccc21 ZINC000597183897 347546565 /nfs/dbraw/zinc/54/65/65/347546565.db2.gz YNSHHQAEHRLGLH-UHFFFAOYSA-N 0 3 280.371 3.487 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCCC1CCC1 ZINC000598218605 347636421 /nfs/dbraw/zinc/63/64/21/347636421.db2.gz MTPXLHYPSMWIEY-QGZVFWFLSA-N 0 3 284.403 3.455 20 30 CGEDHN CC1(C)C[C@@]1(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000598386559 347652833 /nfs/dbraw/zinc/65/28/33/347652833.db2.gz QLWIVXBUKNVFMF-RHSMWYFYSA-N 0 3 270.376 3.064 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000599009369 347706072 /nfs/dbraw/zinc/70/60/72/347706072.db2.gz KHZFLLWGUFFJQQ-IAGOWNOFSA-N 0 3 284.403 3.145 20 30 CGEDHN CC(C)CC[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000599069541 347714106 /nfs/dbraw/zinc/71/41/06/347714106.db2.gz UKFIMDUZSDYECS-JSGCOSHPSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H]1CCN(C[C@@H](O)CC(C)(C)C#N)[C@@H](c2ccco2)C1 ZINC000598594315 347668437 /nfs/dbraw/zinc/66/84/37/347668437.db2.gz FROQVICJEVQFIS-QLFBSQMISA-N 0 3 290.407 3.353 20 30 CGEDHN CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598602191 347669842 /nfs/dbraw/zinc/66/98/42/347669842.db2.gz LOISIOAFEKVLQJ-SWLSCSKDSA-N 0 3 296.361 3.306 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCc2ccccc2C1(C)C ZINC000598601760 347670028 /nfs/dbraw/zinc/67/00/28/347670028.db2.gz VWSZNAGXWZLDKE-OAHLLOKOSA-N 0 3 286.419 3.081 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNC1(c2ccccc2Cl)CC1 ZINC000598626181 347673129 /nfs/dbraw/zinc/67/31/29/347673129.db2.gz TUKQYLSWLRHEFX-LBPRGKRZSA-N 0 3 292.810 3.219 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCCC3(CC3)CC2)c1 ZINC000599673638 347764006 /nfs/dbraw/zinc/76/40/06/347764006.db2.gz RXMLKGICKCISQK-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN COc1ccc([C@H]2CCN([C@H](C)CCC#N)C2)cc1F ZINC000599680558 347764826 /nfs/dbraw/zinc/76/48/26/347764826.db2.gz RXOARYVCYQVHDQ-OCCSQVGLSA-N 0 3 276.355 3.316 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@H](O)CC1CCCC1)C2 ZINC000599679159 347765215 /nfs/dbraw/zinc/76/52/15/347765215.db2.gz WSWORBWLKQUVAS-GOSISDBHSA-N 0 3 298.430 3.052 20 30 CGEDHN COC1(CCN2CCc3c(CC#N)cccc3C2)CCC1 ZINC000599678986 347765271 /nfs/dbraw/zinc/76/52/71/347765271.db2.gz UYBPWDPFPUJXSX-UHFFFAOYSA-N 0 3 284.403 3.070 20 30 CGEDHN Cc1cc(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)n[nH]1 ZINC000599344675 347737687 /nfs/dbraw/zinc/73/76/87/347737687.db2.gz HTPFACKPINEPPU-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN Cc1cc(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)[nH]n1 ZINC000599344675 347737689 /nfs/dbraw/zinc/73/76/89/347737689.db2.gz HTPFACKPINEPPU-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN CCO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000599349607 347738263 /nfs/dbraw/zinc/73/82/63/347738263.db2.gz KNSXZEDYBUFUIR-WBMJQRKESA-N 0 3 258.365 3.024 20 30 CGEDHN Cc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1C#N ZINC000599354865 347739127 /nfs/dbraw/zinc/73/91/27/347739127.db2.gz SEPMUQGNYHNICP-KRWDZBQOSA-N 0 3 296.418 3.477 20 30 CGEDHN Cc1ccc(CN2CCSC[C@H]2C2CC2)cc1C#N ZINC000599432709 347744729 /nfs/dbraw/zinc/74/47/29/347744729.db2.gz ANWYJDJMHNBCJV-INIZCTEOSA-N 0 3 272.417 3.194 20 30 CGEDHN CN1CCN(Cc2cccc(F)c2C#N)c2ccccc2C1 ZINC000600847053 347840720 /nfs/dbraw/zinc/84/07/20/347840720.db2.gz OYXXVGYWSCCEED-UHFFFAOYSA-N 0 3 295.361 3.149 20 30 CGEDHN COc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000601278918 347888020 /nfs/dbraw/zinc/88/80/20/347888020.db2.gz KYIWQBOGKDVBSX-GOSISDBHSA-N 0 3 296.345 3.483 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000601852222 347920239 /nfs/dbraw/zinc/92/02/39/347920239.db2.gz SXSWIVCSXLSFBW-ZETCQYMHSA-N 0 3 290.672 3.135 20 30 CGEDHN CC[C@H](C)[C@@H](C)N(Cc1cccc(C#N)n1)C1CC1 ZINC000602465379 347962991 /nfs/dbraw/zinc/96/29/91/347962991.db2.gz QCHYXUDKEIQFTJ-QWHCGFSZSA-N 0 3 257.381 3.352 20 30 CGEDHN CCN(C[C@@H](C)CCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000602477277 347964862 /nfs/dbraw/zinc/96/48/62/347964862.db2.gz ZZDSAVSQSFPALJ-RDJZCZTQSA-N 0 3 299.418 3.054 20 30 CGEDHN C[C@H](CCC#N)CN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000602483556 347967293 /nfs/dbraw/zinc/96/72/93/347967293.db2.gz MPSAMWGGNFVFOR-CKNLXJGOSA-N 0 3 292.448 3.357 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000602568503 347983991 /nfs/dbraw/zinc/98/39/91/347983991.db2.gz NXIMXCHOKCAXIV-FZMZJTMJSA-N 0 3 297.324 3.412 20 30 CGEDHN CCC(CC)[C@@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602586935 347989295 /nfs/dbraw/zinc/98/92/95/347989295.db2.gz BILOZFVNQLCAJW-YOEHRIQHSA-N 0 3 287.407 3.027 20 30 CGEDHN C[C@H](C#N)CN[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602607473 347993014 /nfs/dbraw/zinc/99/30/14/347993014.db2.gz LBCGKHVMNNVYRB-QGPMSJSTSA-N 0 3 283.419 3.104 20 30 CGEDHN CO[C@](C)(CNCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000602659546 348002851 /nfs/dbraw/zinc/00/28/51/348002851.db2.gz SJEIFPQUDDOVIM-OAHLLOKOSA-N 0 3 278.783 3.116 20 30 CGEDHN C[C@H](NCc1cccc(C#N)n1)[C@@H]1CCC[C@@H](C)C1 ZINC000602685521 348009181 /nfs/dbraw/zinc/00/91/81/348009181.db2.gz IJZJAEFPGNTZOF-HZSPNIEDSA-N 0 3 257.381 3.258 20 30 CGEDHN N#CC1CCC(N[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000602694954 348011511 /nfs/dbraw/zinc/01/15/11/348011511.db2.gz QSWRCKUHDAFRIX-AHNOJICISA-N 0 3 258.340 3.296 20 30 CGEDHN COc1ccccc1-c1cc(CNC[C@@H](C)CCC#N)on1 ZINC000602717462 348016335 /nfs/dbraw/zinc/01/63/35/348016335.db2.gz ZHGOCHQXIKSCTI-ZDUSSCGKSA-N 0 3 299.374 3.380 20 30 CGEDHN CC[C@@](C)(NC[C@@H](C)CCC#N)c1nccs1 ZINC000602551348 347980816 /nfs/dbraw/zinc/98/08/16/347980816.db2.gz CHUREPPVUDGYFX-WCQYABFASA-N 0 3 251.399 3.298 20 30 CGEDHN Cc1ccc([C@@H]2CCN(CC3(CC#N)CC3)C2)cc1 ZINC000602803727 348031335 /nfs/dbraw/zinc/03/13/35/348031335.db2.gz FYPRHBGGPVASAH-MRXNPFEDSA-N 0 3 254.377 3.478 20 30 CGEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CC1(CC#N)CC1 ZINC000602807189 348032479 /nfs/dbraw/zinc/03/24/79/348032479.db2.gz QUMIKHNMXVWSFK-MNOVXSKESA-N 0 3 260.303 3.343 20 30 CGEDHN N#CCC1(CN2CCSC3(CCC3)CC2)CC1 ZINC000602839865 348035561 /nfs/dbraw/zinc/03/55/61/348035561.db2.gz JVBLJPPSQYTYEL-UHFFFAOYSA-N 0 3 250.411 3.042 20 30 CGEDHN Cc1cc(C)c(NC(=O)CCCN[C@@H](C)CC#N)c(C)c1 ZINC000602870819 348039237 /nfs/dbraw/zinc/03/92/37/348039237.db2.gz XMPPEPPXPRWZPI-HNNXBMFYSA-N 0 3 287.407 3.222 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(c3ccc(F)cn3)CC2)C1 ZINC000602902965 348041854 /nfs/dbraw/zinc/04/18/54/348041854.db2.gz HJYUIADNCRKYAG-WFASDCNBSA-N 0 3 273.355 3.092 20 30 CGEDHN CN(CCCCOC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602979181 348049957 /nfs/dbraw/zinc/04/99/57/348049957.db2.gz ATEJOMYJCOYYHC-UONOGXRCSA-N 0 3 252.402 3.206 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc2[nH]c(=O)oc2c1 ZINC000602991595 348053257 /nfs/dbraw/zinc/05/32/57/348053257.db2.gz JBFZQLVHIIQNOC-SNVBAGLBSA-N 0 3 273.336 3.124 20 30 CGEDHN CC#CCN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000607725976 348258081 /nfs/dbraw/zinc/25/80/81/348258081.db2.gz YRDZNTVKOWLCAQ-UHFFFAOYSA-N 0 3 271.360 3.183 20 30 CGEDHN N#CCSCCCN1CCCO[C@H](c2ccccc2)C1 ZINC000610409914 348381428 /nfs/dbraw/zinc/38/14/28/348381428.db2.gz RCLLVBXYJLVMCK-INIZCTEOSA-N 0 3 290.432 3.097 20 30 CGEDHN CC(C#N)C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000610831721 348405227 /nfs/dbraw/zinc/40/52/27/348405227.db2.gz QBNQVZFUWVJSBF-CQSZACIVSA-N 0 3 278.355 3.172 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](Cc3ccccc3)C2)ccn1 ZINC000610993369 348415218 /nfs/dbraw/zinc/41/52/18/348415218.db2.gz OLCISCCGEGXTHN-QGZVFWFLSA-N 0 3 277.371 3.018 20 30 CGEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)C1 ZINC000610993966 348415946 /nfs/dbraw/zinc/41/59/46/348415946.db2.gz OUBHEHMPSZYDHZ-CABCVRRESA-N 0 3 275.421 3.059 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](c3ccco3)C2)c1F ZINC000611371798 348441595 /nfs/dbraw/zinc/44/15/95/348441595.db2.gz XIKCDIYYOYGEAS-ZDUSSCGKSA-N 0 3 270.307 3.280 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000611431807 348451485 /nfs/dbraw/zinc/45/14/85/348451485.db2.gz BNZYRWJOKRVYAL-QGZVFWFLSA-N 0 3 291.483 3.369 20 30 CGEDHN C[C@H](NCCN1CCc2ccccc21)c1cccc(C#N)c1 ZINC000611438200 348452141 /nfs/dbraw/zinc/45/21/41/348452141.db2.gz GERARSXPNQBYOP-HNNXBMFYSA-N 0 3 291.398 3.272 20 30 CGEDHN Cc1ccnc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1C#N ZINC000273391575 192136545 /nfs/dbraw/zinc/13/65/45/192136545.db2.gz UYPOTLJVGXFWBZ-DLBZAZTESA-N 0 3 292.386 3.119 20 30 CGEDHN N#CCc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000612131054 348496430 /nfs/dbraw/zinc/49/64/30/348496430.db2.gz JJMHVKOXVUIVJR-SFHVURJKSA-N 0 3 284.403 3.001 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cc3ccsc3[nH]2)n1 ZINC000613286733 348586312 /nfs/dbraw/zinc/58/63/12/348586312.db2.gz APSFAEMRODXESP-SECBINFHSA-N 0 3 287.369 3.484 20 30 CGEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N ZINC000613429518 348601878 /nfs/dbraw/zinc/60/18/78/348601878.db2.gz MFOLMHMUCNKADS-WFASDCNBSA-N 0 3 298.434 3.145 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(CC2CCCCCC2)CC1 ZINC000613023094 348559860 /nfs/dbraw/zinc/55/98/60/348559860.db2.gz YCGQLZOZRQLHBU-QGZVFWFLSA-N 0 3 277.456 3.123 20 30 CGEDHN C[C@@H](CCc1n[nH]c2ccccc21)NCC(C)(C)C#N ZINC000613540360 348616406 /nfs/dbraw/zinc/61/64/06/348616406.db2.gz MZQXUYAYYGJQAZ-LBPRGKRZSA-N 0 3 270.380 3.023 20 30 CGEDHN CO[C@@]1(C(F)(F)F)CCCN(CC(C)(C)CCC#N)C1 ZINC000615141417 348717475 /nfs/dbraw/zinc/71/74/75/348717475.db2.gz WZJYKFYGYIPXRU-ZDUSSCGKSA-N 0 3 292.345 3.360 20 30 CGEDHN Cc1ccsc1[C@H](CO)NCc1ccc(C#N)cc1C ZINC000614577919 348684024 /nfs/dbraw/zinc/68/40/24/348684024.db2.gz YITVASJGHKKCJO-HNNXBMFYSA-N 0 3 286.400 3.060 20 30 CGEDHN C=CCN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000273470543 192164191 /nfs/dbraw/zinc/16/41/91/192164191.db2.gz JEERRLAFJREAKU-FNORWQNLSA-N 0 3 258.321 3.258 20 30 CGEDHN CCn1ccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000616129515 348789018 /nfs/dbraw/zinc/78/90/18/348789018.db2.gz FDZNCZIVXLVWJP-UHFFFAOYSA-N 0 3 253.349 3.012 20 30 CGEDHN Cc1cccc(NCCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358574016 233158674 /nfs/dbraw/zinc/15/86/74/233158674.db2.gz RIXPRCZADUYLJX-ZDUSSCGKSA-N 0 3 298.365 3.164 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](Cn2cccn2)c2ccccc2)C1 ZINC000618569186 349108279 /nfs/dbraw/zinc/10/82/79/349108279.db2.gz NDQPUBKIUFMUFC-NXHRZFHOSA-N 0 3 294.402 3.296 20 30 CGEDHN C[C@H](CSc1cccc(Cl)c1C#N)N(C)C ZINC000358801712 233198474 /nfs/dbraw/zinc/19/84/74/233198474.db2.gz NETPLVPPSGOQSD-SECBINFHSA-N 0 3 254.786 3.254 20 30 CGEDHN CC[C@H](C)c1nc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000618578057 349110138 /nfs/dbraw/zinc/11/01/38/349110138.db2.gz YATMURZJVFYIPF-CYDGBPFRSA-N 0 3 275.400 3.051 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000619535102 349257743 /nfs/dbraw/zinc/25/77/43/349257743.db2.gz JTBBGZWYQHULMD-MRXNPFEDSA-N 0 3 265.360 3.219 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000625701008 350198783 /nfs/dbraw/zinc/19/87/83/350198783.db2.gz NWAJZOQJICSXJT-HNNXBMFYSA-N 0 3 267.376 3.270 20 30 CGEDHN C=C(C)CCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625803177 350215796 /nfs/dbraw/zinc/21/57/96/350215796.db2.gz OAUSETXATGEVJD-GOSISDBHSA-N 0 3 285.387 3.453 20 30 CGEDHN C=CC(C)(C)CCNC(=O)Nc1cc(C)cc(CN)c1 ZINC000625898669 350225343 /nfs/dbraw/zinc/22/53/43/350225343.db2.gz YQODOSHTDSPKBR-UHFFFAOYSA-N 0 3 275.396 3.178 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC#Cc1ccccc1Cl ZINC000625976187 350238984 /nfs/dbraw/zinc/23/89/84/350238984.db2.gz SPTVGHAJRWBXRZ-OQMKEHIESA-N 0 3 277.795 3.093 20 30 CGEDHN C=CCN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000271365303 191098102 /nfs/dbraw/zinc/09/81/02/191098102.db2.gz HAFGPSVSVXQQLD-UHFFFAOYSA-N 0 3 298.430 3.463 20 30 CGEDHN C=CCN(C[C@H](O)c1ccc(Br)cc1)C1CC1 ZINC000271373587 191103338 /nfs/dbraw/zinc/10/33/38/191103338.db2.gz HFCDEPVUTHIOFU-AWEZNQCLSA-N 0 3 296.208 3.133 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(OC)c(OCC)c2)C1 ZINC000628405542 350528825 /nfs/dbraw/zinc/52/88/25/350528825.db2.gz OBXUCQCDORKUDZ-AWEZNQCLSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000628406197 350530103 /nfs/dbraw/zinc/53/01/03/350530103.db2.gz DOCGEPCPHLBPMZ-OAHLLOKOSA-N 0 3 299.393 3.469 20 30 CGEDHN C=CCOc1ccc(CN(C)CC2(C)COC2)cc1Cl ZINC000628423432 350534811 /nfs/dbraw/zinc/53/48/11/350534811.db2.gz UIKOJMNBVQMOCF-UHFFFAOYSA-N 0 3 295.810 3.373 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000632952638 351232616 /nfs/dbraw/zinc/23/26/16/351232616.db2.gz FHRRECCNFNEKHK-UHFFFAOYSA-N 0 3 287.407 3.404 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000632517829 351202837 /nfs/dbraw/zinc/20/28/37/351202837.db2.gz SBWOJKJFGCCVNC-GOEBONIOSA-N 0 3 286.419 3.150 20 30 CGEDHN Cc1cc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000633900274 351392974 /nfs/dbraw/zinc/39/29/74/351392974.db2.gz OQPSPPCAXFKKSK-GFCCVEGCSA-N 0 3 285.372 3.262 20 30 CGEDHN C=CCC[C@@H](NC(=O)CN(C)C(C)C)c1ccccc1 ZINC000123049146 187067906 /nfs/dbraw/zinc/06/79/06/187067906.db2.gz COHWXZQSBVYLMZ-MRXNPFEDSA-N 0 3 274.408 3.150 20 30 CGEDHN N#Cc1cccc(OCCCN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000123353589 187086834 /nfs/dbraw/zinc/08/68/34/187086834.db2.gz MIWAWKOYEFNICB-SFHVURJKSA-N 0 3 295.386 3.492 20 30 CGEDHN C[C@H]1CC[C@@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000364490669 234046768 /nfs/dbraw/zinc/04/67/68/234046768.db2.gz LRDNYVYZOFUJQA-KSSFIOAISA-N 0 3 282.387 3.215 20 30 CGEDHN C=C(Cl)CN[C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271503250 191178475 /nfs/dbraw/zinc/17/84/75/191178475.db2.gz NMOHMGIUTIITFG-ZDUSSCGKSA-N 0 3 282.815 3.030 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000292274801 198227729 /nfs/dbraw/zinc/22/77/29/198227729.db2.gz BHWFXTQLJGVNPK-CYBMUJFWSA-N 0 3 260.406 3.133 20 30 CGEDHN CC#CCCN(C)Cc1ccccc1N1CCCC1 ZINC000155015732 188175858 /nfs/dbraw/zinc/17/58/58/188175858.db2.gz AQEGNRBLNWURIV-UHFFFAOYSA-N 0 3 256.393 3.132 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCc3cncs3)CC2)cc1 ZINC000411437697 235057186 /nfs/dbraw/zinc/05/71/86/235057186.db2.gz ISIUYYOPDAOEHA-UHFFFAOYSA-N 0 3 295.411 3.347 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC000271891482 191393716 /nfs/dbraw/zinc/39/37/16/191393716.db2.gz RZPNMOMXACWTOE-HZPDHXFCSA-N 0 3 288.366 3.135 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000271862035 191372935 /nfs/dbraw/zinc/37/29/35/191372935.db2.gz ZNNPLTCYJPEKEI-CMPLNLGQSA-N 0 3 271.763 3.457 20 30 CGEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccccc3F)CC2)c1 ZINC000271862077 191373323 /nfs/dbraw/zinc/37/33/23/191373323.db2.gz ZRBISQVYEKSKGR-QGZVFWFLSA-N 0 3 296.345 3.010 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000110058674 283148802 /nfs/dbraw/zinc/14/88/02/283148802.db2.gz XAEZHQZSIVKDEZ-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN N#Cc1ccc2ncc(CN(C3CCC3)C3CCC3)n2c1 ZINC000430140999 283201038 /nfs/dbraw/zinc/20/10/38/283201038.db2.gz WBBBXAPGWCFLKC-UHFFFAOYSA-N 0 3 280.375 3.113 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000175457142 188951396 /nfs/dbraw/zinc/95/13/96/188951396.db2.gz NEKSFQANQDQGIC-INIZCTEOSA-N 0 3 274.408 3.070 20 30 CGEDHN COc1ccc(C2(NCc3ccc(C#N)cc3)CC2)cc1 ZINC000341695432 216069846 /nfs/dbraw/zinc/06/98/46/216069846.db2.gz VITSWBPXKVCFCU-UHFFFAOYSA-N 0 3 278.355 3.346 20 30 CGEDHN C=CCC[C@@H](NCC(=O)NC(C)(C)C)c1ccccc1 ZINC000178756371 189143354 /nfs/dbraw/zinc/14/33/54/189143354.db2.gz GSKXLRRPQHOJFP-OAHLLOKOSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179591769 189205941 /nfs/dbraw/zinc/20/59/41/189205941.db2.gz MOCBVZYQZWTVAL-WCQYABFASA-N 0 3 285.334 3.266 20 30 CGEDHN C[C@@H](NC[C@H](O)C1CCCCC1)c1ccc(C#N)cc1 ZINC000181674300 189303798 /nfs/dbraw/zinc/30/37/98/189303798.db2.gz MSLOQOWRBMRCIP-DYVFJYSZSA-N 0 3 272.392 3.150 20 30 CGEDHN C[C@H](NC[C@H](O)CC(C)(C)C)c1cccc(C#N)c1 ZINC000181767998 189305791 /nfs/dbraw/zinc/30/57/91/189305791.db2.gz GELNEJOLPJUYJK-SWLSCSKDSA-N 0 3 260.381 3.006 20 30 CGEDHN C[C@H](NC[C@@H](O)C1CCCCC1)c1cccc(C#N)c1 ZINC000181674593 189303660 /nfs/dbraw/zinc/30/36/60/189303660.db2.gz IOTSVBVEBRKSPW-SUMWQHHRSA-N 0 3 272.392 3.150 20 30 CGEDHN N#Cc1csc(CNCc2cccc3cc[nH]c32)c1 ZINC000342341145 216315948 /nfs/dbraw/zinc/31/59/48/216315948.db2.gz BUEOOWXKPLSSPX-UHFFFAOYSA-N 0 3 267.357 3.391 20 30 CGEDHN C=CCC[C@H](NCc1nccn1CC(C)C)C1CC1 ZINC000121349167 370854554 /nfs/dbraw/zinc/85/45/54/370854554.db2.gz HKIXGRPAIIPDRK-HNNXBMFYSA-N 0 3 261.413 3.374 20 30 CGEDHN CC(C)(C)CCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000462791355 242362255 /nfs/dbraw/zinc/36/22/55/242362255.db2.gz OOTJKBFQIAFAIA-UHFFFAOYSA-N 0 3 289.398 3.256 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1OC)CC(C)(C)C ZINC000463357361 242393217 /nfs/dbraw/zinc/39/32/17/242393217.db2.gz AVWQOOMROSBDAC-UHFFFAOYSA-N 0 3 260.381 3.435 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(SC)c(OC)c1 ZINC000124772563 370928008 /nfs/dbraw/zinc/92/80/08/370928008.db2.gz UIZSDTZITLGRAT-CQSZACIVSA-N 0 3 295.448 3.176 20 30 CGEDHN C=C(C)COCCNCc1ccc(SC)cc1 ZINC000125818529 370941144 /nfs/dbraw/zinc/94/11/44/370941144.db2.gz CLCVJZINMAUXCI-UHFFFAOYSA-N 0 3 251.395 3.091 20 30 CGEDHN C[C@@H](CSc1nc(C(F)(F)F)ccc1C#N)N(C)C ZINC000488743149 243607952 /nfs/dbraw/zinc/60/79/52/243607952.db2.gz GXKOXUNYMRLCIN-QMMMGPOBSA-N 0 3 289.326 3.014 20 30 CGEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)Nc2sccc2C#N)C1 ZINC000026469545 368860113 /nfs/dbraw/zinc/86/01/13/368860113.db2.gz QXPWCFRKNABRNX-DGCLKSJQSA-N 0 3 291.420 3.069 20 30 CGEDHN CN(C)Cc1cccc(NCc2ccc(C#N)cc2)c1 ZINC000036979696 369045798 /nfs/dbraw/zinc/04/57/98/369045798.db2.gz MEAIGJNPXWXSHO-UHFFFAOYSA-N 0 3 265.360 3.232 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3cccnc32)cc1 ZINC000037505760 369087794 /nfs/dbraw/zinc/08/77/94/369087794.db2.gz XDFNIJPLHKDKNX-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000044812980 369270787 /nfs/dbraw/zinc/27/07/87/369270787.db2.gz ZLMVOGDKBDHHGR-JGVFFNPUSA-N 0 3 271.147 3.330 20 30 CGEDHN CC1CCN(CCNc2cccc(Cl)c2C#N)CC1 ZINC000048336386 369342856 /nfs/dbraw/zinc/34/28/56/369342856.db2.gz UCKWUXWWZIGQPJ-UHFFFAOYSA-N 0 3 277.799 3.355 20 30 CGEDHN CC[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000128214188 370960262 /nfs/dbraw/zinc/96/02/62/370960262.db2.gz JMVCCXISAWCSEF-QLOLRVAOSA-N 0 3 284.403 3.158 20 30 CGEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1Cl ZINC000051766965 369455440 /nfs/dbraw/zinc/45/54/40/369455440.db2.gz XJLTXMCZHQWMMP-UHFFFAOYSA-N 0 3 278.783 3.343 20 30 CGEDHN N#Cc1cccc(C2(NC[C@H](O)CC3CCCC3)CC2)c1 ZINC000276411033 193320959 /nfs/dbraw/zinc/32/09/59/193320959.db2.gz MGFJIJQVEYUKAP-QGZVFWFLSA-N 0 3 284.403 3.078 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000063751176 369648298 /nfs/dbraw/zinc/64/82/98/369648298.db2.gz FEROGIIQTAZSKH-KRWDZBQOSA-N 0 3 272.392 3.338 20 30 CGEDHN C=CCOc1ccc(CNC[C@H]2CCCO2)cc1Cl ZINC000066969954 369708983 /nfs/dbraw/zinc/70/89/83/369708983.db2.gz JBQAYMJLBUWPIG-CYBMUJFWSA-N 0 3 281.783 3.173 20 30 CGEDHN CCOC(CCN[C@H](C)c1ccc(C#N)c(F)c1)OCC ZINC000276475413 193346182 /nfs/dbraw/zinc/34/61/82/193346182.db2.gz FGASACBWARZBRL-GFCCVEGCSA-N 0 3 294.370 3.137 20 30 CGEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000074334999 369874507 /nfs/dbraw/zinc/87/45/07/369874507.db2.gz JRYDFYYSWUOSGX-CYBMUJFWSA-N 0 3 296.370 3.426 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000074334738 369874545 /nfs/dbraw/zinc/87/45/45/369874545.db2.gz RHBJEHHMIAGVHO-ZDUSSCGKSA-N 0 3 294.354 3.180 20 30 CGEDHN CN(C)CCOc1ccc(NCc2ccc(C#N)cc2)cc1 ZINC000079723571 369975305 /nfs/dbraw/zinc/97/53/05/369975305.db2.gz RSPMCCSMQYUBBR-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN CN(CCc1cccs1)Cc1ccc(C#N)cc1F ZINC000075965294 369924001 /nfs/dbraw/zinc/92/40/01/369924001.db2.gz OMZONFJKFWYYSX-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN C=CCCCN(C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000076738322 369941201 /nfs/dbraw/zinc/94/12/01/369941201.db2.gz ZOOZYUBTYBGRJT-UHFFFAOYSA-N 0 3 288.435 3.470 20 30 CGEDHN C=CCCCN(C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000076733968 369941697 /nfs/dbraw/zinc/94/16/97/369941697.db2.gz AGTZOGAORMLLCX-UHFFFAOYSA-N 0 3 288.435 3.322 20 30 CGEDHN C=CCN(CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000077384276 369946000 /nfs/dbraw/zinc/94/60/00/369946000.db2.gz UHFUOEWUIMPQPO-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN CS[C@@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000092064279 370091633 /nfs/dbraw/zinc/09/16/33/370091633.db2.gz SGBFOFJTHAZASR-GFCCVEGCSA-N 0 3 266.435 3.337 20 30 CGEDHN C=CCN(CCc1ccccc1)CC1=CCCOC1 ZINC000092505698 370097902 /nfs/dbraw/zinc/09/79/02/370097902.db2.gz OXQXWZQXVQKFCU-UHFFFAOYSA-N 0 3 257.377 3.064 20 30 CGEDHN CC1(C)CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000112701842 370442572 /nfs/dbraw/zinc/44/25/72/370442572.db2.gz PEOUPOABXUMTJS-UHFFFAOYSA-N 0 3 291.420 3.070 20 30 CGEDHN CCC(CC)CN(CC)CC(=O)Nc1sccc1C#N ZINC000114725793 370510162 /nfs/dbraw/zinc/51/01/62/370510162.db2.gz VKVVBIVJOUDDPG-UHFFFAOYSA-N 0 3 293.436 3.316 20 30 CGEDHN N#CCCCCN1CCSC[C@H]1c1ccccc1 ZINC000115559770 370535191 /nfs/dbraw/zinc/53/51/91/370535191.db2.gz SQOXJNKUEAPGLM-HNNXBMFYSA-N 0 3 260.406 3.470 20 30 CGEDHN C=CCOc1ccccc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000129968691 371008784 /nfs/dbraw/zinc/00/87/84/371008784.db2.gz OZCAGWOWOFUIJE-HNNXBMFYSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H]2CCSC2)cc1 ZINC000130485659 371038091 /nfs/dbraw/zinc/03/80/91/371038091.db2.gz GROSMNQHPBJPCJ-CQSZACIVSA-N 0 3 263.406 3.189 20 30 CGEDHN C[C@H](C[C@H](O)c1cccs1)NCc1ccc(C#N)cc1 ZINC000131215953 371090847 /nfs/dbraw/zinc/09/08/47/371090847.db2.gz YUZQXWUQZAHNCD-DOMZBBRYSA-N 0 3 286.400 3.222 20 30 CGEDHN C=CCCCN(C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000132613342 371188391 /nfs/dbraw/zinc/18/83/91/371188391.db2.gz SWHRHMSKGCTKHU-UHFFFAOYSA-N 0 3 288.313 3.421 20 30 CGEDHN N#CCCCN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134809348 371365454 /nfs/dbraw/zinc/36/54/54/371365454.db2.gz WKIRFTQJPWRALM-JKSUJKDBSA-N 0 3 276.355 3.017 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)o1 ZINC000135165819 371397309 /nfs/dbraw/zinc/39/73/09/371397309.db2.gz URKWZVPREBDXHX-IRHMCKRBSA-N 0 3 256.349 3.066 20 30 CGEDHN N#Cc1ccnc(NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000287489193 371664565 /nfs/dbraw/zinc/66/45/65/371664565.db2.gz YBLZSSLUIZMZGX-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CCC[C@H](N[C@H](CO)Cc1ccccc1)c1ccco1 ZINC000287502817 371666140 /nfs/dbraw/zinc/66/61/40/371666140.db2.gz NUHVZIDHPZIXOO-IRXDYDNUSA-N 0 3 285.387 3.480 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](C)[C@@H](O)c2ccccc2)c1 ZINC000288656628 371743928 /nfs/dbraw/zinc/74/39/28/371743928.db2.gz VMMYAOYENYDZAF-HNAYVOBHSA-N 0 3 297.398 3.463 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2(C)CCCCC2)CC1 ZINC000153028266 371744234 /nfs/dbraw/zinc/74/42/34/371744234.db2.gz DJQGQMKGVFRHSO-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN(CCc1ccco1)CC1(SC)CC1 ZINC000290230744 371942240 /nfs/dbraw/zinc/94/22/40/371942240.db2.gz FVYWNBNPHPLIDB-UHFFFAOYSA-N 0 3 251.395 3.206 20 30 CGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000156161866 371965818 /nfs/dbraw/zinc/96/58/18/371965818.db2.gz QVMCZXFYRNUVHR-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000157503286 372024501 /nfs/dbraw/zinc/02/45/01/372024501.db2.gz PZUPLHFWYVMREV-HNNXBMFYSA-N 0 3 299.418 3.277 20 30 CGEDHN CCN(CC1CC1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157983780 372045570 /nfs/dbraw/zinc/04/55/70/372045570.db2.gz BGWVBNONKMLHIS-OAHLLOKOSA-N 0 3 299.418 3.054 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000157285255 372013887 /nfs/dbraw/zinc/01/38/87/372013887.db2.gz IBLKXOAYUXETCT-NVXWUHKLSA-N 0 3 289.806 3.192 20 30 CGEDHN CC(C)N(CC#Cc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000291878092 372175842 /nfs/dbraw/zinc/17/58/42/372175842.db2.gz QARKPCCSYWJFKM-INIZCTEOSA-N 0 3 277.795 3.191 20 30 CGEDHN C=CCC[C@@H](NCC(=O)N1CCCCC1)c1ccccc1 ZINC000159908116 372192581 /nfs/dbraw/zinc/19/25/81/372192581.db2.gz HANZNEDWMQNHCB-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CCC(CC=C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000160479451 372252034 /nfs/dbraw/zinc/25/20/34/372252034.db2.gz YZCSXCXVYDSYJR-UHFFFAOYSA-N 0 3 286.419 3.133 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)COC2)c1cccc(C#N)c1 ZINC000344317860 217148729 /nfs/dbraw/zinc/14/87/29/217148729.db2.gz FJQXPJLMSDDRPH-CYBMUJFWSA-N 0 3 278.355 3.439 20 30 CGEDHN C[C@@H](CCC#N)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000429701241 372376978 /nfs/dbraw/zinc/37/69/78/372376978.db2.gz TYCMSWAWMQDVHL-SJCJKPOMSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ccccc1F ZINC000429713696 372378056 /nfs/dbraw/zinc/37/80/56/372378056.db2.gz DWLFJGGNZXSHLK-AWEZNQCLSA-N 0 3 264.388 3.326 20 30 CGEDHN COc1cc(CNCC2(CC#N)CC2)ccc1OC(F)F ZINC000430045628 372383471 /nfs/dbraw/zinc/38/34/71/372383471.db2.gz ZBTAQNNWZQXHNZ-UHFFFAOYSA-N 0 3 296.317 3.080 20 30 CGEDHN CC1(C)[C@H](NCC2(C#N)CC2)C[C@@H]1OCc1ccccc1 ZINC000430876770 372400701 /nfs/dbraw/zinc/40/07/01/372400701.db2.gz SKYVZHZABCDOKT-CVEARBPZSA-N 0 3 284.403 3.264 20 30 CGEDHN C=CCC[C@H](CC)NCc1cc(C)nc(N2CCCC2)n1 ZINC000293788078 372483545 /nfs/dbraw/zinc/48/35/45/372483545.db2.gz UFLUAMSEKBFQJK-HNNXBMFYSA-N 0 3 288.439 3.220 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000433229661 372583981 /nfs/dbraw/zinc/58/39/81/372583981.db2.gz ZNXIJIVEAJIOID-MRXNPFEDSA-N 0 3 278.440 3.208 20 30 CGEDHN CCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433233724 372584322 /nfs/dbraw/zinc/58/43/22/372584322.db2.gz QEDZGLPLRVSSFI-AWEZNQCLSA-N 0 3 258.365 3.064 20 30 CGEDHN CN(CCCCC1CCOCC1)CC(C)(C)C#N ZINC000433322932 372592868 /nfs/dbraw/zinc/59/28/68/372592868.db2.gz SOAKOEXTPMXNAQ-UHFFFAOYSA-N 0 3 252.402 3.065 20 30 CGEDHN CC[C@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433344429 372596754 /nfs/dbraw/zinc/59/67/54/372596754.db2.gz RTUHUEZPVLCKFL-GOEBONIOSA-N 0 3 272.392 3.263 20 30 CGEDHN N#Cc1c(F)cccc1NC[C@@H]1CCCCN1C1CC1 ZINC000433794314 372632071 /nfs/dbraw/zinc/63/20/71/372632071.db2.gz SGJQXVDXSGEONC-ZDUSSCGKSA-N 0 3 273.355 3.126 20 30 CGEDHN C[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)O1 ZINC000294971403 372681601 /nfs/dbraw/zinc/68/16/01/372681601.db2.gz FPPVIMJSPJDKNC-JMSVASOKSA-N 0 3 297.320 3.212 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000434586225 372691990 /nfs/dbraw/zinc/69/19/90/372691990.db2.gz MXXKDPUGLIUNRH-PBHICJAKSA-N 0 3 270.376 3.017 20 30 CGEDHN CC(C#N)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000434588903 372693022 /nfs/dbraw/zinc/69/30/22/372693022.db2.gz WGRLJAXDGIBOKQ-LLVKDONJSA-N 0 3 292.329 3.396 20 30 CGEDHN C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(C#N)cc1 ZINC000171125884 372716383 /nfs/dbraw/zinc/71/63/83/372716383.db2.gz JUEVNOJRVWZHKD-AWEZNQCLSA-N 0 3 293.370 3.238 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000171739344 372821231 /nfs/dbraw/zinc/82/12/31/372821231.db2.gz RQYOEIWJZFCDJH-UHFFFAOYSA-N 0 3 287.407 3.075 20 30 CGEDHN Cc1ccc([C@H]2OCCC[C@H]2NCc2ccc(C#N)o2)cc1 ZINC000344608440 217247458 /nfs/dbraw/zinc/24/74/58/217247458.db2.gz XOMLPYLRTBOACL-QZTJIDSGSA-N 0 3 296.370 3.470 20 30 CGEDHN Cc1ccc(C)c(CNCc2ccc(OCC#N)cc2)c1 ZINC000171769832 372825310 /nfs/dbraw/zinc/82/53/10/372825310.db2.gz UFDBUXJBHXNEAB-UHFFFAOYSA-N 0 3 280.371 3.496 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1coc(-c2ccccc2)n1 ZINC000435743820 372801093 /nfs/dbraw/zinc/80/10/93/372801093.db2.gz UMYNTBATSIZBII-RDJZCZTQSA-N 0 3 298.386 3.412 20 30 CGEDHN C=CCCCN(C)Cc1ccc(Br)cn1 ZINC000172325019 372941189 /nfs/dbraw/zinc/94/11/89/372941189.db2.gz BIWAVAFHMIUZOK-UHFFFAOYSA-N 0 3 269.186 3.242 20 30 CGEDHN C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438468775 372959237 /nfs/dbraw/zinc/95/92/37/372959237.db2.gz KZOUTSRQYUHZSK-GFCCVEGCSA-N 0 3 283.293 3.279 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000439681612 372981192 /nfs/dbraw/zinc/98/11/92/372981192.db2.gz OHVBPHKJAHHISV-DOTOQJQBSA-N 0 3 284.403 3.408 20 30 CGEDHN N#Cc1ccc(CNCCc2cc(F)ccc2F)c(F)c1 ZINC000344765080 217303552 /nfs/dbraw/zinc/30/35/52/217303552.db2.gz HCLBOLILXFCULN-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN C=CCN(CCC(=O)OC(C)C)CCc1ccccc1 ZINC000441256457 373001453 /nfs/dbraw/zinc/00/14/53/373001453.db2.gz AKPMLPBRBSDJQP-UHFFFAOYSA-N 0 3 275.392 3.059 20 30 CGEDHN CC[C@@H](NCc1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC000344758456 217301331 /nfs/dbraw/zinc/30/13/31/217301331.db2.gz JXELZXXHGKWPAV-MRXNPFEDSA-N 0 3 282.391 3.150 20 30 CGEDHN C=CCc1cc(CNCCC(C)(F)F)cc(OC)c1O ZINC000296207569 373053839 /nfs/dbraw/zinc/05/38/39/373053839.db2.gz ZPFJPPZWAVZVRS-UHFFFAOYSA-N 0 3 285.334 3.264 20 30 CGEDHN Cc1ccc(-c2nc(CCN[C@H]3CC[C@@H](C#N)C3)co2)cc1 ZINC000442799414 373088535 /nfs/dbraw/zinc/08/85/35/373088535.db2.gz YBNYCUZSEMTZLX-ZBFHGGJFSA-N 0 3 295.386 3.474 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000296397676 373118249 /nfs/dbraw/zinc/11/82/49/373118249.db2.gz KIDDBNNBWCBTLE-MQIPJXDCSA-N 0 3 278.371 3.409 20 30 CGEDHN CC(C#N)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000442726982 373070428 /nfs/dbraw/zinc/07/04/28/373070428.db2.gz URPMQANCTDJTDZ-UWVGGRQHSA-N 0 3 284.281 3.085 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000442728008 373070983 /nfs/dbraw/zinc/07/09/83/373070983.db2.gz XUFJCYWXNBNCCJ-SNVBAGLBSA-N 0 3 298.308 3.302 20 30 CGEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(C#N)cc1 ZINC000173435952 373140141 /nfs/dbraw/zinc/14/01/41/373140141.db2.gz YLTXAGUZWTVASP-UNEWFSDZSA-N 0 3 297.402 3.150 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(N[C@H]3CC[C@H](C#N)C3)cccc21 ZINC000443063801 373149136 /nfs/dbraw/zinc/14/91/36/373149136.db2.gz NUWOWXPPDHJSHP-HEHGZKQESA-N 0 3 285.391 3.176 20 30 CGEDHN N#CCCN1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444408073 373185787 /nfs/dbraw/zinc/18/57/87/373185787.db2.gz QQVLAGNNVXJTNI-UHFFFAOYSA-N 0 3 297.446 3.421 20 30 CGEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(CO)c2)cc1 ZINC000296602346 373191114 /nfs/dbraw/zinc/19/11/14/373191114.db2.gz VRRRSASXLSWXQY-OAHLLOKOSA-N 0 3 295.382 3.042 20 30 CGEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C ZINC000444673152 373230687 /nfs/dbraw/zinc/23/06/87/373230687.db2.gz IBLZWZZBBBDZDX-WMLDXEAASA-N 0 3 299.418 3.397 20 30 CGEDHN CCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C ZINC000444677837 373231769 /nfs/dbraw/zinc/23/17/69/373231769.db2.gz QIALXTULFNEKIK-YOEHRIQHSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)o1)c1cccc(F)c1 ZINC000174407995 373312100 /nfs/dbraw/zinc/31/21/00/373312100.db2.gz RXGLIHLJVJOOER-UHFFFAOYSA-N 0 3 272.323 3.358 20 30 CGEDHN CC(C)[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000446728832 373347289 /nfs/dbraw/zinc/34/72/89/373347289.db2.gz QFZQTKABRZUVEG-OAHLLOKOSA-N 0 3 296.374 3.086 20 30 CGEDHN CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)C(C)C#N ZINC000447864062 373511664 /nfs/dbraw/zinc/51/16/64/373511664.db2.gz CLOUXCYDUROTOR-SMDDNHRTSA-N 0 3 262.328 3.141 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)[C@@]2(C#N)C[C@H]2C)c1 ZINC000448674287 373633651 /nfs/dbraw/zinc/63/36/51/373633651.db2.gz FPXTWFQANCLLER-CXAGYDPISA-N 0 3 285.391 3.017 20 30 CGEDHN COc1cc(CN2CCC[C@H]3CCC[C@H]32)ccc1C#N ZINC000300200671 373620373 /nfs/dbraw/zinc/62/03/73/373620373.db2.gz VXQDVPPNNLYEPL-GDBMZVCRSA-N 0 3 270.376 3.331 20 30 CGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000301105930 373663700 /nfs/dbraw/zinc/66/37/00/373663700.db2.gz SITWKQANKQWHJN-QGZVFWFLSA-N 0 3 283.350 3.412 20 30 CGEDHN CC1(F)CC(NCc2cccc(OCCCC#N)c2)C1 ZINC000449370250 373684714 /nfs/dbraw/zinc/68/47/14/373684714.db2.gz IVBGOHYYTUMYCC-UHFFFAOYSA-N 0 3 276.355 3.349 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@](C)(COC)C2)cc1 ZINC000449392352 373687054 /nfs/dbraw/zinc/68/70/54/373687054.db2.gz JWNIXZGBWSPUJV-QGZVFWFLSA-N 0 3 275.392 3.110 20 30 CGEDHN C[C@H]1CCCCN1CCNc1ccc(Cl)cc1C#N ZINC000301194696 373687910 /nfs/dbraw/zinc/68/79/10/373687910.db2.gz NAYIZWRFBAUIDB-LBPRGKRZSA-N 0 3 277.799 3.498 20 30 CGEDHN CCc1ccc([C@H](CNc2cccc(C#N)n2)N(C)C)cc1 ZINC000301274934 373725451 /nfs/dbraw/zinc/72/54/51/373725451.db2.gz LNVIKOUPNVGOPP-KRWDZBQOSA-N 0 3 294.402 3.230 20 30 CGEDHN C=C(C)CCNCc1nc2ccc(Cl)cc2n1C ZINC000449474364 373760978 /nfs/dbraw/zinc/76/09/78/373760978.db2.gz JITOTVWUSKWFQU-UHFFFAOYSA-N 0 3 263.772 3.283 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OC2CCCC2)c1 ZINC000449517542 373818010 /nfs/dbraw/zinc/81/80/10/373818010.db2.gz GLDXPBVKAOIPJQ-MSOLQXFVSA-N 0 3 287.403 3.441 20 30 CGEDHN Cn1cc(CN2CC[C@H](CC(C)(C)C)C2)cc1C#N ZINC000449775337 373903510 /nfs/dbraw/zinc/90/35/10/373903510.db2.gz MFPVHQVYAFZEGY-CYBMUJFWSA-N 0 3 259.397 3.155 20 30 CGEDHN CN(C[C@@H]1COc2ccccc2O1)CC(C)(C)CCC#N ZINC000179636108 373895730 /nfs/dbraw/zinc/89/57/30/373895730.db2.gz UMWUSYDBYMJFFF-CQSZACIVSA-N 0 3 288.391 3.088 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)CN2CCCCCC2)c1 ZINC000302349967 373855157 /nfs/dbraw/zinc/85/51/57/373855157.db2.gz DBPGHBOGWZWDSV-CQSZACIVSA-N 0 3 299.418 3.437 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)o2)[C@H](C)[C@@H]1OC ZINC000180213514 373978931 /nfs/dbraw/zinc/97/89/31/373978931.db2.gz NLBJVTMFIIFSTR-GLQYFDAESA-N 0 3 276.380 3.081 20 30 CGEDHN C=CCN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180954573 374062004 /nfs/dbraw/zinc/06/20/04/374062004.db2.gz OXEXQTPZHWXEFN-SNVBAGLBSA-N 0 3 259.271 3.464 20 30 CGEDHN CCC(CC)[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305824266 374116869 /nfs/dbraw/zinc/11/68/69/374116869.db2.gz QJBGGTNIDZCZFD-ZBEGNZNMSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000181214429 374095024 /nfs/dbraw/zinc/09/50/24/374095024.db2.gz PRDPLQIXPJRMQX-OCCSQVGLSA-N 0 3 297.320 3.072 20 30 CGEDHN N#CCCCN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181233218 374096721 /nfs/dbraw/zinc/09/67/21/374096721.db2.gz NZNOJHSTIUCDRS-HOCLYGCPSA-N 0 3 258.365 3.048 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000320366765 374351350 /nfs/dbraw/zinc/35/13/50/374351350.db2.gz IEVMXKAFKYYKCK-JQWIXIFHSA-N 0 3 271.763 3.457 20 30 CGEDHN Cc1cc(NC(=O)C2CCN(C3CC3)CC2)cc2n[nH]cc21 ZINC000328708555 374377444 /nfs/dbraw/zinc/37/74/44/374377444.db2.gz BCADCLAYBWCLOX-UHFFFAOYSA-N 0 3 298.390 3.334 20 30 CGEDHN O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1CCCN1C1CCCC1 ZINC000329324477 374404681 /nfs/dbraw/zinc/40/46/81/374404681.db2.gz IDMAAKGHWDQPRJ-OWCLPIDISA-N 0 3 294.439 3.044 20 30 CGEDHN C[C@H](CC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457194812 374643250 /nfs/dbraw/zinc/64/32/50/374643250.db2.gz PPCJSSXJIJLWHX-CJNGLKHVSA-N 0 3 297.402 3.181 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185384801 374653861 /nfs/dbraw/zinc/65/38/61/374653861.db2.gz AJRJWERNHKBQRY-HNNXBMFYSA-N 0 3 288.435 3.392 20 30 CGEDHN C[C@H]1CSC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000334392849 374709632 /nfs/dbraw/zinc/70/96/32/374709632.db2.gz YPNPMUSBWZAQGP-ZANVPECISA-N 0 3 266.797 3.053 20 30 CGEDHN CC[C@@H]1[C@H](C)CCN1Cc1cc(C#N)ccc1OC ZINC000185680284 374711233 /nfs/dbraw/zinc/71/12/33/374711233.db2.gz FJHUPFXGYYBZRH-IUODEOHRSA-N 0 3 258.365 3.187 20 30 CGEDHN Cc1cc2cc(CN[C@H]3CC[C@H](C#N)C3)ccc2[nH]1 ZINC000334420917 374736153 /nfs/dbraw/zinc/73/61/53/374736153.db2.gz QOWAMLZINRJWKH-WFASDCNBSA-N 0 3 253.349 3.258 20 30 CGEDHN C=CCOCCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000470763575 374999331 /nfs/dbraw/zinc/99/93/31/374999331.db2.gz FDBUMCMSTLZBJF-CQSZACIVSA-N 0 3 295.810 3.386 20 30 CGEDHN C#CCCCCNCc1cccc(Br)c1OC ZINC000187295667 374999796 /nfs/dbraw/zinc/99/97/96/374999796.db2.gz PNJUJNMWTKLQGQ-UHFFFAOYSA-N 0 3 296.208 3.351 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000334777466 375032307 /nfs/dbraw/zinc/03/23/07/375032307.db2.gz SKLVPISTCMXHKH-KBXCAEBGSA-N 0 3 290.366 3.320 20 30 CGEDHN C=CCC[C@@H](O)CN(CC)Cc1cccc(Cl)c1 ZINC000472744795 375032319 /nfs/dbraw/zinc/03/23/19/375032319.db2.gz DEROVKNVWNFEOR-OAHLLOKOSA-N 0 3 267.800 3.489 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000475640743 375135448 /nfs/dbraw/zinc/13/54/48/375135448.db2.gz IHLPYSGVKWBMRM-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(C)Cc1cc2c(c(Br)c1)OCO2 ZINC000481328695 375163597 /nfs/dbraw/zinc/16/35/97/375163597.db2.gz DGQAUCJRYQCFMJ-UHFFFAOYSA-N 0 3 298.180 3.186 20 30 CGEDHN CC#CCCNCc1ccc(OC)c(OCCCC)c1 ZINC000482167555 375167209 /nfs/dbraw/zinc/16/72/09/375167209.db2.gz WHQFTRYURDLHNE-UHFFFAOYSA-N 0 3 275.392 3.377 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](O)C23CCCC3)c(Cl)c1 ZINC000335226598 375244018 /nfs/dbraw/zinc/24/40/18/375244018.db2.gz BOMXQSFVXZXAOK-HNNXBMFYSA-N 0 3 290.794 3.091 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)CC#Cc2ccccc2)C1(C)C ZINC000483970492 375185398 /nfs/dbraw/zinc/18/53/98/375185398.db2.gz CGRGXNTZLHQXFH-IAGOWNOFSA-N 0 3 271.404 3.174 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)cc1F ZINC000335413898 375273347 /nfs/dbraw/zinc/27/33/47/375273347.db2.gz CQDZLSPALDXLFS-MRXNPFEDSA-N 0 3 281.334 3.082 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000335814761 375452424 /nfs/dbraw/zinc/45/24/24/375452424.db2.gz GDMYRCDESAVRTE-SNVBAGLBSA-N 0 3 278.302 3.010 20 30 CGEDHN C[C@@H]1CC[C@](CO)(N(C)CC#Cc2ccccc2Cl)C1 ZINC000495203093 375497422 /nfs/dbraw/zinc/49/74/22/375497422.db2.gz QFFIPQQJLPIRQW-PBHICJAKSA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@@H]1CC[C@@](CO)(N(C)CC#Cc2ccccc2Cl)C1 ZINC000495203094 375497619 /nfs/dbraw/zinc/49/76/19/375497619.db2.gz QFFIPQQJLPIRQW-RHSMWYFYSA-N 0 3 291.822 3.174 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)NCCN1CCCC[C@@H]1CC ZINC000495231314 375499541 /nfs/dbraw/zinc/49/95/41/375499541.db2.gz OLGYKGLAOBRZQG-JKSUJKDBSA-N 0 3 293.455 3.001 20 30 CGEDHN CC(C)[C@H]1CCCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191368505 375618896 /nfs/dbraw/zinc/61/88/96/375618896.db2.gz FCOBJJBDGORMSA-HNNXBMFYSA-N 0 3 259.397 3.155 20 30 CGEDHN CCN1C[C@H](C)N(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000498918034 375628118 /nfs/dbraw/zinc/62/81/18/375628118.db2.gz ZTYZGTUELOHGTG-GJZGRUSLSA-N 0 3 290.838 3.106 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000335998445 375605448 /nfs/dbraw/zinc/60/54/48/375605448.db2.gz GINVTAFPJZOJLS-GWCFXTLKSA-N 0 3 262.740 3.163 20 30 CGEDHN CN(C)CCSCc1cc(C#N)ccc1Br ZINC000191742696 375657791 /nfs/dbraw/zinc/65/77/91/375657791.db2.gz SYRXMAZVHRJZDS-UHFFFAOYSA-N 0 3 299.237 3.116 20 30 CGEDHN C=CCN(CCOC)Cc1cc(C)nc2ccccc12 ZINC000191760212 375660559 /nfs/dbraw/zinc/66/05/59/375660559.db2.gz PLFTVPLLIHQVMS-UHFFFAOYSA-N 0 3 270.376 3.178 20 30 CGEDHN CC#CCCNCc1ccc(OC)c(OCC(C)C)c1 ZINC000499218782 375630918 /nfs/dbraw/zinc/63/09/18/375630918.db2.gz YPZLNJLHSZNPRY-UHFFFAOYSA-N 0 3 275.392 3.233 20 30 CGEDHN CC(C(=O)Nc1ccc(C#N)cc1Cl)C(F)(F)F ZINC000336114742 375694383 /nfs/dbraw/zinc/69/43/83/375694383.db2.gz XYBAMEUOESSPBW-ZCFIWIBFSA-N 0 3 276.645 3.349 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCC2)cc1F ZINC000191989886 375687605 /nfs/dbraw/zinc/68/76/05/375687605.db2.gz PUXJHXACFYCPGQ-INIZCTEOSA-N 0 3 258.340 3.462 20 30 CGEDHN C[C@@]12CCN(Cc3cccc(C#N)c3)C[C@@H]1C2(F)F ZINC000336114808 375697020 /nfs/dbraw/zinc/69/70/20/375697020.db2.gz CEVLJSIACTXSPU-UONOGXRCSA-N 0 3 262.303 3.035 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H]1COc2ccccc21 ZINC000192186199 375708410 /nfs/dbraw/zinc/70/84/10/375708410.db2.gz YSIVVJSTAOEKFG-LRDDRELGSA-N 0 3 296.345 3.352 20 30 CGEDHN N#Cc1csc(CNCc2cccc(-n3ccnc3)c2)c1 ZINC000507509460 375710222 /nfs/dbraw/zinc/71/02/22/375710222.db2.gz LYPQEZVJKPKYHI-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN Cn1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000336354482 375780743 /nfs/dbraw/zinc/78/07/43/375780743.db2.gz GITZYLXMVQUELS-QGZVFWFLSA-N 0 3 265.360 3.064 20 30 CGEDHN C=C(C)CCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000508991683 375767038 /nfs/dbraw/zinc/76/70/38/375767038.db2.gz QHZBLVIGXVQXIH-HNNXBMFYSA-N 0 3 276.399 3.471 20 30 CGEDHN CCC[C@]1(NCC#Cc2ccc(Cl)cc2)CCOC1 ZINC000512270686 375796305 /nfs/dbraw/zinc/79/63/05/375796305.db2.gz PPGQIFCBBGSJSM-INIZCTEOSA-N 0 3 277.795 3.240 20 30 CGEDHN CC#CCCNCc1ccc(Sc2ccccn2)o1 ZINC000512238009 375796757 /nfs/dbraw/zinc/79/67/57/375796757.db2.gz XQLOFAUYVAMHFR-UHFFFAOYSA-N 0 3 272.373 3.329 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000525179029 375881708 /nfs/dbraw/zinc/88/17/08/375881708.db2.gz VLXZGEMLQCFVBP-CYBMUJFWSA-N 0 3 288.366 3.303 20 30 CGEDHN COCCC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000527938017 375895093 /nfs/dbraw/zinc/89/50/93/375895093.db2.gz XSCGPHCQKQWCFK-AWEZNQCLSA-N 0 3 272.392 3.368 20 30 CGEDHN C=C[C@@H](C)NCc1cccc(Br)c1OC ZINC000336727647 375922186 /nfs/dbraw/zinc/92/21/86/375922186.db2.gz HOKKIXYOOFWNPD-SECBINFHSA-N 0 3 270.170 3.122 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529623870 375930765 /nfs/dbraw/zinc/93/07/65/375930765.db2.gz WJPJNFFCSFLWLC-CYBMUJFWSA-N 0 3 253.349 3.294 20 30 CGEDHN C=CCCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000530733778 375943263 /nfs/dbraw/zinc/94/32/63/375943263.db2.gz YUTGVLJDGNZAGJ-CABCVRRESA-N 0 3 265.397 3.006 20 30 CGEDHN C=CCN1CC[C@H](N(CCC)[C@H]2CCc3ccccc32)C1=O ZINC000337122545 376084032 /nfs/dbraw/zinc/08/40/32/376084032.db2.gz BLXAGKGLEKBGFM-ROUUACIJSA-N 0 3 298.430 3.173 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)(CC)CC1 ZINC000337626617 376232573 /nfs/dbraw/zinc/23/25/73/376232573.db2.gz AQMJNOHBPFBBLX-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN CCN1C[C@H](C)N(c2ccc3cc(C#N)ccc3n2)C[C@H]1C ZINC000538978751 376283506 /nfs/dbraw/zinc/28/35/06/376283506.db2.gz JDKGBFGFWQWKAJ-KGLIPLIRSA-N 0 3 294.402 3.025 20 30 CGEDHN N#Cc1ccc(CNCCSC(F)(F)F)c(F)c1 ZINC000227596346 376401042 /nfs/dbraw/zinc/40/10/42/376401042.db2.gz WGOYVFYHABWWAN-UHFFFAOYSA-N 0 3 278.274 3.040 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228012595 376422834 /nfs/dbraw/zinc/42/28/34/376422834.db2.gz OJMBCRFSGBBAKP-XJKSGUPXSA-N 0 3 258.340 3.462 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(OC(F)F)cc2)o1 ZINC000540514052 376379213 /nfs/dbraw/zinc/37/92/13/376379213.db2.gz QHGBVHPOTVAEJK-UHFFFAOYSA-N 0 3 292.285 3.085 20 30 CGEDHN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000540595533 376384175 /nfs/dbraw/zinc/38/41/75/376384175.db2.gz XVUOUGCJOKZCLP-KBXCAEBGSA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(C#N)c(F)c1 ZINC000540768045 376395999 /nfs/dbraw/zinc/39/59/99/376395999.db2.gz SBTMSDAYTOEHSJ-WBMJQRKESA-N 0 3 296.345 3.352 20 30 CGEDHN N#CC1(CNC2(Cc3ccccc3)CCCC2)CC1 ZINC000541700769 376473097 /nfs/dbraw/zinc/47/30/97/376473097.db2.gz BFTXYHIGTWKEHC-UHFFFAOYSA-N 0 3 254.377 3.435 20 30 CGEDHN N#Cc1cc(NCCN2CC=CCC2)ccc1C(F)(F)F ZINC000338713301 376493671 /nfs/dbraw/zinc/49/36/71/376493671.db2.gz PYVKBMHKMNBKFS-UHFFFAOYSA-N 0 3 295.308 3.251 20 30 CGEDHN C=CC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000338944591 376591240 /nfs/dbraw/zinc/59/12/40/376591240.db2.gz GKJDJDXBEVYIOW-UHFFFAOYSA-N 0 3 296.418 3.282 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000339130614 376696431 /nfs/dbraw/zinc/69/64/31/376696431.db2.gz ZXQVBSYOWFGIHV-TYNCELHUSA-N 0 3 256.349 3.051 20 30 CGEDHN C=CCN1CCC(Nc2ccnc(-c3ccccc3)n2)CC1 ZINC000264497593 190113997 /nfs/dbraw/zinc/11/39/97/190113997.db2.gz XNZSIMBMFAUNQX-UHFFFAOYSA-N 0 3 294.402 3.206 20 30 CGEDHN Cc1ccc2c(c1)CN(CCOCCC#N)C(C)(C)C2 ZINC000339638307 376777933 /nfs/dbraw/zinc/77/79/33/376777933.db2.gz OBKNTBBQQOOIEO-UHFFFAOYSA-N 0 3 272.392 3.062 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000545222504 376800236 /nfs/dbraw/zinc/80/02/36/376800236.db2.gz KEWITIPRRYZZJG-ZDUSSCGKSA-N 0 3 290.407 3.298 20 30 CGEDHN COc1ccc(CN2CC[C@@H](CC3CC3)C2)cc1C#N ZINC000339684159 376808835 /nfs/dbraw/zinc/80/88/35/376808835.db2.gz QJONXHBTKKMQKK-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@H]1CCCC[C@H]1O ZINC000245525679 376841973 /nfs/dbraw/zinc/84/19/73/376841973.db2.gz ABQNINGDNZDQQP-NVXWUHKLSA-N 0 3 291.822 3.174 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2sccc2C#N)c1 ZINC000340334740 377009472 /nfs/dbraw/zinc/00/94/72/377009472.db2.gz YMMLWUHYAVJZNQ-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN CC1(C2CC2)CCN(CCOc2ccccc2C#N)CC1 ZINC000558471360 377011678 /nfs/dbraw/zinc/01/16/78/377011678.db2.gz PXLIXYFOVAESBZ-UHFFFAOYSA-N 0 3 284.403 3.449 20 30 CGEDHN CC(C)C[C@@H](C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000560707795 377189125 /nfs/dbraw/zinc/18/91/25/377189125.db2.gz XMSGHKTVEMMUNG-CQSZACIVSA-N 0 3 289.398 3.254 20 30 CGEDHN CC[C@@H](C)N(CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000561926227 377253528 /nfs/dbraw/zinc/25/35/28/377253528.db2.gz YNIUSGLTTFXNOD-CYBMUJFWSA-N 0 3 299.336 3.150 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248144888 377271261 /nfs/dbraw/zinc/27/12/61/377271261.db2.gz ZHVFXBQKYCKMTK-GOEBONIOSA-N 0 3 295.810 3.120 20 30 CGEDHN CC#CCCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248389788 377303300 /nfs/dbraw/zinc/30/33/00/377303300.db2.gz GXPZAVAGTNSPFI-HUUCEWRRSA-N 0 3 298.213 3.297 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@H](C)C1 ZINC000248566666 377349319 /nfs/dbraw/zinc/34/93/19/377349319.db2.gz OYZDWDZGPDDNKG-UONOGXRCSA-N 0 3 285.391 3.007 20 30 CGEDHN Cn1ccnc1[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000565155302 377483509 /nfs/dbraw/zinc/48/35/09/377483509.db2.gz DABOPCQFCUSQPG-OAHLLOKOSA-N 0 3 286.423 3.074 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@H](C)O3)n1 ZINC000565245745 377486098 /nfs/dbraw/zinc/48/60/98/377486098.db2.gz LFUPHJDIWXBTEM-GWCFXTLKSA-N 0 3 298.367 3.265 20 30 CGEDHN CCN(CC)CCSc1nc2c(cc1C#N)CCCC2 ZINC000088734136 249027190 /nfs/dbraw/zinc/02/71/90/249027190.db2.gz MXZJRYVRNNSQBB-UHFFFAOYSA-N 0 3 289.448 3.266 20 30 CGEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)c1cccs1 ZINC000093492107 249037454 /nfs/dbraw/zinc/03/74/54/249037454.db2.gz GOHLSMZESIULPS-ZDUSSCGKSA-N 0 3 291.445 3.074 20 30 CGEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000298455823 249077175 /nfs/dbraw/zinc/07/71/75/249077175.db2.gz JBZXBFJINKJEFS-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CCCCCCN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000571940230 377544833 /nfs/dbraw/zinc/54/48/33/377544833.db2.gz VNNYALXTAQCHAE-OAHLLOKOSA-N 0 3 272.392 3.430 20 30 CGEDHN Cc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)cn1 ZINC000573697157 377564393 /nfs/dbraw/zinc/56/43/93/377564393.db2.gz ZSSOCJJVIQNFEO-HNNXBMFYSA-N 0 3 279.387 3.325 20 30 CGEDHN COc1cccc(NC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000573342011 377556434 /nfs/dbraw/zinc/55/64/34/377556434.db2.gz GQZOXLUGLIXBGJ-RHSMWYFYSA-N 0 3 299.418 3.264 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000341443237 377566184 /nfs/dbraw/zinc/56/61/84/377566184.db2.gz VBNPWBKRWWOZNV-MELADBBJSA-N 0 3 276.428 3.256 20 30 CGEDHN N#Cc1ccc(CN(C[C@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000518192707 249276742 /nfs/dbraw/zinc/27/67/42/249276742.db2.gz PONRZNLCRAAATJ-SJLPKXTDSA-N 0 3 284.403 3.074 20 30 CGEDHN N#Cc1cccc(CCNCc2c(F)cccc2F)c1 ZINC000341487626 377591053 /nfs/dbraw/zinc/59/10/53/377591053.db2.gz OWAFSDKWLFLBQC-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)[C@@H](C)OC)cc1Cl ZINC000342342677 377641010 /nfs/dbraw/zinc/64/10/10/377641010.db2.gz FLMYDEQRTYSWNC-VXGBXAGGSA-N 0 3 283.799 3.418 20 30 CGEDHN O[C@@H]1CCC[C@H]1[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000253086052 377671842 /nfs/dbraw/zinc/67/18/42/377671842.db2.gz AJLWXQVUYWEWOK-IPMKNSEASA-N 0 3 283.415 3.054 20 30 CGEDHN CC[C@@H](C)N[C@@H](CNc1ncccc1C#N)c1ccco1 ZINC000343259129 377941260 /nfs/dbraw/zinc/94/12/60/377941260.db2.gz XTQIOQLHUNXDTH-OCCSQVGLSA-N 0 3 284.363 3.088 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N(C)c1ccccc1 ZINC000343278871 377944912 /nfs/dbraw/zinc/94/49/12/377944912.db2.gz LUWOLSUYYDYRGA-AWEZNQCLSA-N 0 3 297.377 3.312 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N1CCCC[C@@H]1C ZINC000343281586 377946880 /nfs/dbraw/zinc/94/68/80/377946880.db2.gz FEILWQIEXRLXNR-KBPBESRZSA-N 0 3 289.398 3.050 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1OCCc2ccccc21 ZINC000263653714 377949109 /nfs/dbraw/zinc/94/91/09/377949109.db2.gz CEFANYUJQMXEGY-LJQANCHMSA-N 0 3 292.382 3.304 20 30 CGEDHN COc1cccc(CN(C)Cc2ccc(OCC#N)cc2)c1 ZINC000264116570 377957373 /nfs/dbraw/zinc/95/73/73/377957373.db2.gz KBHHICXQZGYCHP-UHFFFAOYSA-N 0 3 296.370 3.230 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000265634466 378005966 /nfs/dbraw/zinc/00/59/66/378005966.db2.gz QFBCJRKCEYTGGQ-INIZCTEOSA-N 0 3 299.418 3.220 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCSC2)c([O-])c1 ZINC000266328502 378018989 /nfs/dbraw/zinc/01/89/89/378018989.db2.gz JRFHSJOAWSHBCO-RKPNYOAGSA-N 0 3 278.421 3.163 20 30 CGEDHN C=CCCN(C)Cc1ccc(OCCC)c(OC)c1 ZINC000343448013 377981773 /nfs/dbraw/zinc/98/17/73/377981773.db2.gz UHQHOKFKUIWXMT-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN CN(C)[C@H]1CCOc2c(Nc3ncccc3C#N)cccc21 ZINC000578953736 378115467 /nfs/dbraw/zinc/11/54/67/378115467.db2.gz FNIHDZIGFJCAOC-HNNXBMFYSA-N 0 3 294.358 3.082 20 30 CGEDHN C=C(CN[C@@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000268842526 378129140 /nfs/dbraw/zinc/12/91/40/378129140.db2.gz RBYBDYXFLGPWOZ-ZDUSSCGKSA-N 0 3 255.365 3.093 20 30 CGEDHN C=C(CN[C@@H](C)c1cnc(C)nc1C)c1ccccc1 ZINC000268870061 378136830 /nfs/dbraw/zinc/13/68/30/378136830.db2.gz XMLYZQUTHFFROU-ZDUSSCGKSA-N 0 3 267.376 3.457 20 30 CGEDHN CC#CCCN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343774444 378088312 /nfs/dbraw/zinc/08/83/12/378088312.db2.gz CGSVWSOYCBUFIQ-LBPRGKRZSA-N 0 3 299.340 3.032 20 30 CGEDHN N#CC(C(=O)NC1CCCCC1)c1nccc2ccccc21 ZINC000579541145 378170194 /nfs/dbraw/zinc/17/01/94/378170194.db2.gz JDBWCRGIDYUDNI-MRXNPFEDSA-N 0 3 293.370 3.291 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000278324389 193919088 /nfs/dbraw/zinc/91/90/88/193919088.db2.gz ANJWUZAFVQVVQJ-UHFFFAOYSA-N 0 3 296.414 3.238 20 30 CGEDHN C[C@H](C1CC1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000583477710 378324870 /nfs/dbraw/zinc/32/48/70/378324870.db2.gz HTGVZEFDPZGURB-CJNGLKHVSA-N 0 3 270.376 3.016 20 30 CGEDHN C[C@H]1CCc2nc(CNCCCCC#N)sc2C1 ZINC000345845571 378385753 /nfs/dbraw/zinc/38/57/53/378385753.db2.gz HYXGPBGBGGIGKK-NSHDSACASA-N 0 3 263.410 3.051 20 30 CGEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000346128829 378471724 /nfs/dbraw/zinc/47/17/24/378471724.db2.gz KEMDDWVZKRYXKI-KNXALSJPSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271932634 378522956 /nfs/dbraw/zinc/52/29/56/378522956.db2.gz ISUNJWLOIVTDSU-FZMZJTMJSA-N 0 3 278.371 3.145 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000271238922 378485345 /nfs/dbraw/zinc/48/53/45/378485345.db2.gz XNEGWKKIRFDGHM-LVJAFBKBSA-N 0 3 290.407 3.225 20 30 CGEDHN C=CCC[C@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000271690925 378500457 /nfs/dbraw/zinc/50/04/57/378500457.db2.gz FAYVDEZJHBXFDK-KRWDZBQOSA-N 0 3 299.418 3.046 20 30 CGEDHN CC(C)CCOCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271915496 378516669 /nfs/dbraw/zinc/51/66/69/378516669.db2.gz CAHMCJJCTUDWTB-ZDUSSCGKSA-N 0 3 278.371 3.411 20 30 CGEDHN CC(C)C[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000271981491 378535803 /nfs/dbraw/zinc/53/58/03/378535803.db2.gz JXZRDJQDYUFSOA-HOTGVXAUSA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000272373580 378624213 /nfs/dbraw/zinc/62/42/13/378624213.db2.gz AHGBFUFPSCIBJI-JTQLQIEISA-N 0 3 257.736 3.332 20 30 CGEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000346959414 378698039 /nfs/dbraw/zinc/69/80/39/378698039.db2.gz JGXYTTITGVYMFP-UHFFFAOYSA-N 0 3 288.435 3.105 20 30 CGEDHN C[C@H](CO)N(Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000347239553 378711634 /nfs/dbraw/zinc/71/16/34/378711634.db2.gz VVESZKVGHYTCLG-GFCCVEGCSA-N 0 3 292.810 3.337 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C[C@H](C)C1 ZINC000347279941 378714626 /nfs/dbraw/zinc/71/46/26/378714626.db2.gz NGXMOEUWHUATDT-KBPBESRZSA-N 0 3 272.392 3.435 20 30 CGEDHN C=CCOCCCN[C@@H](CC)c1nc(C)cs1 ZINC000348063402 378772793 /nfs/dbraw/zinc/77/27/93/378772793.db2.gz VXJAHFACXKFKSV-LBPRGKRZSA-N 0 3 254.399 3.085 20 30 CGEDHN C=CCOCCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000348030069 378759920 /nfs/dbraw/zinc/75/99/20/378759920.db2.gz IEKKURYIKBJQAF-LBPRGKRZSA-N 0 3 268.426 3.345 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000266221482 190240699 /nfs/dbraw/zinc/24/06/99/190240699.db2.gz RJJOFHIRCMUUMT-LLVKDONJSA-N 0 3 258.296 3.184 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2=CCCCCC2)CC1 ZINC000274703221 378879174 /nfs/dbraw/zinc/87/91/74/378879174.db2.gz WPDDRFJQEMNZCN-UHFFFAOYSA-N 0 3 276.424 3.034 20 30 CGEDHN COc1ccc2c(c1)CCC[C@H]2NCC1(CC#N)CC1 ZINC000348378652 378933558 /nfs/dbraw/zinc/93/35/58/378933558.db2.gz KBSDFCYDQSQTEZ-MRXNPFEDSA-N 0 3 270.376 3.356 20 30 CGEDHN C=C(C)[C@H](NC[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000274874616 378911782 /nfs/dbraw/zinc/91/17/82/378911782.db2.gz LKUKBNHZDWNTKX-WFASDCNBSA-N 0 3 267.319 3.351 20 30 CGEDHN N#CCC1(CN[C@@H]2CSCCc3ccccc32)CC1 ZINC000348415215 378947518 /nfs/dbraw/zinc/94/75/18/378947518.db2.gz XTACZEFHRAONDY-OAHLLOKOSA-N 0 3 272.417 3.300 20 30 CGEDHN CC[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000278621071 194071963 /nfs/dbraw/zinc/07/19/63/194071963.db2.gz GIEVUWUNOUVNOC-FOIQADDNSA-N 0 3 292.448 3.146 20 30 CGEDHN CC[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000278621085 194072581 /nfs/dbraw/zinc/07/25/81/194072581.db2.gz GIEVUWUNOUVNOC-YWZLYKJASA-N 0 3 292.448 3.146 20 30 CGEDHN C=C[C@H]1CCCCN1[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111902 379036681 /nfs/dbraw/zinc/03/66/81/379036681.db2.gz KQIINMAMSNSBQY-LSDHHAIUSA-N 0 3 274.412 3.467 20 30 CGEDHN C=C(C)CCNCc1cc(OC)c(O)cc1Cl ZINC000639226247 379165738 /nfs/dbraw/zinc/16/57/38/379165738.db2.gz DNCSFBCOJJRFTP-UHFFFAOYSA-N 0 3 255.745 3.110 20 30 CGEDHN C=CC[C@H]1N(Cc2cc(=O)c(OC)co2)CCCC1(C)C ZINC000277749041 379226408 /nfs/dbraw/zinc/22/64/08/379226408.db2.gz LIXLPUZUIISOIV-MRXNPFEDSA-N 0 3 291.391 3.215 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000349375515 379255003 /nfs/dbraw/zinc/25/50/03/379255003.db2.gz CNIVVNKDUSCKHU-DIOULYMOSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCC1(NCc2cnc(OC)s2)CCCC1 ZINC000639322417 379274865 /nfs/dbraw/zinc/27/48/65/379274865.db2.gz VNCJRKYMGLKWBU-UHFFFAOYSA-N 0 3 252.383 3.130 20 30 CGEDHN CC[C@H](NCCC(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000278155288 379304756 /nfs/dbraw/zinc/30/47/56/379304756.db2.gz ASMKRFMXTWLNLB-KRWDZBQOSA-N 0 3 299.418 3.002 20 30 CGEDHN C#CCSCCNCc1ccc(N(CC)CC)c(F)c1 ZINC000740017889 572428876 /nfs/dbraw/zinc/42/88/76/572428876.db2.gz FJWBQLPNMVDLMM-UHFFFAOYSA-N 0 3 294.439 3.128 20 30 CGEDHN COc1ccc(OC(F)F)c(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000349786467 379382240 /nfs/dbraw/zinc/38/22/40/379382240.db2.gz IAMAYCOQLCKLDN-ZYHUDNBSSA-N 0 3 296.317 3.078 20 30 CGEDHN COc1ccc(Cl)cc1CN[C@H]1CC[C@H](C#N)C1 ZINC000349821291 379402366 /nfs/dbraw/zinc/40/23/66/379402366.db2.gz JZDGIQPNSXHCRV-GWCFXTLKSA-N 0 3 264.756 3.130 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000349833012 379412164 /nfs/dbraw/zinc/41/21/64/379412164.db2.gz XUPFKBUTJQQUHG-OLZOCXBDSA-N 0 3 298.308 3.410 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccccc1SCC ZINC000349839221 379415919 /nfs/dbraw/zinc/41/59/19/379415919.db2.gz YUKYMJISAIXIKN-QWHCGFSZSA-N 0 3 265.422 3.386 20 30 CGEDHN CC(C)OCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374312561 379416941 /nfs/dbraw/zinc/41/69/41/379416941.db2.gz RZKOLOLKORRIPX-UHFFFAOYSA-N 0 3 284.403 3.462 20 30 CGEDHN CC(C)(CCC#N)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375404979 379495398 /nfs/dbraw/zinc/49/53/98/379495398.db2.gz PBJXYYVENSSAGV-CYBMUJFWSA-N 0 3 288.395 3.066 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccccc1 ZINC000279798122 379518451 /nfs/dbraw/zinc/51/84/51/379518451.db2.gz WAULQGWVRHRQQJ-QGZVFWFLSA-N 0 3 271.360 3.044 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2ccc(C#N)s2)CC1 ZINC000280196629 379636473 /nfs/dbraw/zinc/63/64/73/379636473.db2.gz HSIDHIRYBYUDFN-AWEZNQCLSA-N 0 3 264.394 3.011 20 30 CGEDHN CC(C#N)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000351532156 379727155 /nfs/dbraw/zinc/72/71/55/379727155.db2.gz ZWZFXUCHKKGZLG-IUODEOHRSA-N 0 3 256.349 3.194 20 30 CGEDHN C=CCCCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280870632 379809484 /nfs/dbraw/zinc/80/94/84/379809484.db2.gz OBCUMZBJKBKTJL-GDBMZVCRSA-N 0 3 295.448 3.025 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000280812416 379797453 /nfs/dbraw/zinc/79/74/53/379797453.db2.gz MHGNHMNVZSEYNX-ZQIUZPCESA-N 0 3 275.392 3.332 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nc2ccccc2n1C ZINC000280900609 379810087 /nfs/dbraw/zinc/81/00/87/379810087.db2.gz RCGXLSKOECQKCT-CPUCHLNUSA-N 0 3 299.418 3.205 20 30 CGEDHN C=CC[C@@H](CC)NCc1cc(OC)c(OC)cc1OC ZINC000281368357 379832142 /nfs/dbraw/zinc/83/21/42/379832142.db2.gz NPYBFHVOIPXIMD-CYBMUJFWSA-N 0 3 279.380 3.157 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccco2)C1 ZINC000378358998 379811487 /nfs/dbraw/zinc/81/14/87/379811487.db2.gz FWJZRHGULDCJGJ-HNNXBMFYSA-N 0 3 282.343 3.149 20 30 CGEDHN C=C[C@H](CO)NCc1cc(-c2ccccc2)cs1 ZINC000352449197 379820811 /nfs/dbraw/zinc/82/08/11/379820811.db2.gz XUXHQEIMRZYJRE-CQSZACIVSA-N 0 3 259.374 3.052 20 30 CGEDHN C=C(C)CCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640568140 379823459 /nfs/dbraw/zinc/82/34/59/379823459.db2.gz PXFHGAFLSJHXTG-KGLIPLIRSA-N 0 3 287.325 3.077 20 30 CGEDHN CSc1ccccc1[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000282289579 379890794 /nfs/dbraw/zinc/89/07/94/379890794.db2.gz IYHTWPISJRDESC-LBPRGKRZSA-N 0 3 285.416 3.469 20 30 CGEDHN N#Cc1ccc(OCCNCc2ccc3occc3c2)cc1 ZINC000352790499 379962833 /nfs/dbraw/zinc/96/28/33/379962833.db2.gz NXFSDIRGVXOYHY-UHFFFAOYSA-N 0 3 292.338 3.473 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 ZINC000352808191 379972128 /nfs/dbraw/zinc/97/21/28/379972128.db2.gz BPQSBNLMULMPEU-GRYCIOLGSA-N 0 3 261.394 3.073 20 30 CGEDHN Cc1ccc(CNCc2ccc(CC#N)cc2)s1 ZINC000399176128 379937507 /nfs/dbraw/zinc/93/75/07/379937507.db2.gz JVYGVWNYSMHIKO-UHFFFAOYSA-N 0 3 256.374 3.412 20 30 CGEDHN C=CCC[C@H](CO)NCc1cccc(Cl)c1OCC ZINC000641760538 380084056 /nfs/dbraw/zinc/08/40/56/380084056.db2.gz SYRUVKDVZFSULN-CYBMUJFWSA-N 0 3 283.799 3.155 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@]1(C#N)C[C@H]1C ZINC000410594708 380106870 /nfs/dbraw/zinc/10/68/70/380106870.db2.gz VFQSIKOTZQOEJR-KDOFPFPSSA-N 0 3 297.402 3.079 20 30 CGEDHN CO[C@H](CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000283997534 380114382 /nfs/dbraw/zinc/11/43/82/380114382.db2.gz NJNWCSMHBVNLOQ-GOSISDBHSA-N 0 3 280.371 3.378 20 30 CGEDHN C=CCOc1ccc(CNCCN(C)c2ccccc2)cc1 ZINC000642339185 380167349 /nfs/dbraw/zinc/16/73/49/380167349.db2.gz SOMLNLAHFSHWLU-UHFFFAOYSA-N 0 3 296.414 3.477 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccnn1-c1ccccc1 ZINC000414158820 380193391 /nfs/dbraw/zinc/19/33/91/380193391.db2.gz ANERRESOUZIXQE-AWEZNQCLSA-N 0 3 282.391 3.463 20 30 CGEDHN CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000353260749 380194476 /nfs/dbraw/zinc/19/44/76/380194476.db2.gz GCBWRVHTKHFAJW-HOTGVXAUSA-N 0 3 272.392 3.196 20 30 CGEDHN CC(=O)N1CC[C@H](NCC(C)(C)CC#N)c2ccccc2C1 ZINC000414164547 380196258 /nfs/dbraw/zinc/19/62/58/380196258.db2.gz KIERSUTVUYULRS-KRWDZBQOSA-N 0 3 299.418 3.009 20 30 CGEDHN Cc1n[nH]cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353911787 380229216 /nfs/dbraw/zinc/22/92/16/380229216.db2.gz CQHMSPSNZZUYIG-INIZCTEOSA-N 0 3 268.364 3.243 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cn(C(C)(C)C)nn1 ZINC000414528069 380300171 /nfs/dbraw/zinc/30/01/71/380300171.db2.gz ABTOFJFGHNLSRT-MRXNPFEDSA-N 0 3 298.434 3.310 20 30 CGEDHN CSC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000279135002 194298330 /nfs/dbraw/zinc/29/83/30/194298330.db2.gz RIBWGFSPAQYKQJ-SNVBAGLBSA-N 0 3 264.369 3.244 20 30 CGEDHN C=CCOc1ccc(CNCC2(C(F)F)CC2)cc1OC ZINC000355122276 380585459 /nfs/dbraw/zinc/58/54/59/380585459.db2.gz IYYOXSJLYITIOQ-UHFFFAOYSA-N 0 3 297.345 3.395 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)CC(C)C ZINC000417326916 380593726 /nfs/dbraw/zinc/59/37/26/380593726.db2.gz BGCUCYFSRJNVFY-WFASDCNBSA-N 0 3 278.371 3.409 20 30 CGEDHN C=CCC(F)(F)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000645550864 380703014 /nfs/dbraw/zinc/70/30/14/380703014.db2.gz HSMLUUMTQSAJPQ-FGWVZKOKSA-N 0 3 283.322 3.078 20 30 CGEDHN C=C(CC)CNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418272253 380716090 /nfs/dbraw/zinc/71/60/90/380716090.db2.gz XHQVPGYPYJWJDU-MRXNPFEDSA-N 0 3 289.423 3.075 20 30 CGEDHN C[C@H](N[C@@H](CCO)C(C)(C)C)c1ccc(C#N)cc1F ZINC000355745334 380767376 /nfs/dbraw/zinc/76/73/76/380767376.db2.gz ZSBQFCHTFXJEPE-NHYWBVRUSA-N 0 3 278.371 3.145 20 30 CGEDHN C=C(C)CN(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418494142 380722937 /nfs/dbraw/zinc/72/29/37/380722937.db2.gz XNAFLOKVMOPWTL-KRWDZBQOSA-N 0 3 297.402 3.057 20 30 CGEDHN CCN(Cc1nc(C#N)cs1)[C@@H]1CCCC[C@@H]1C ZINC000419248263 380788708 /nfs/dbraw/zinc/78/87/08/380788708.db2.gz CNCVHEPSPOOFNB-WCQYABFASA-N 0 3 263.410 3.415 20 30 CGEDHN C=C(C)CN1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420935457 380862827 /nfs/dbraw/zinc/86/28/27/380862827.db2.gz YISUUUMJGGGZDQ-CHWSQXEVSA-N 0 3 253.386 3.005 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1OCCNCc1ccc(C#N)c(F)c1 ZINC000421333474 380878762 /nfs/dbraw/zinc/87/87/62/380878762.db2.gz ODLKEGMTMQWBNT-DYVFJYSZSA-N 0 3 290.382 3.382 20 30 CGEDHN N#Cc1csc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000357379311 381135247 /nfs/dbraw/zinc/13/52/47/381135247.db2.gz YDPLIQLJJUBHRY-WBVHZDCISA-N 0 3 298.411 3.487 20 30 CGEDHN C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000357716874 381264048 /nfs/dbraw/zinc/26/40/48/381264048.db2.gz PEMKIXRWZYSIHH-KGLIPLIRSA-N 0 3 267.376 3.431 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000334804203 207108284 /nfs/dbraw/zinc/10/82/84/207108284.db2.gz LFZXQNJCQKBAJK-ZBFHGGJFSA-N 0 3 290.794 3.213 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000357788074 381282947 /nfs/dbraw/zinc/28/29/47/381282947.db2.gz IRACKPJKQBKLPY-CHWSQXEVSA-N 0 3 258.365 3.019 20 30 CGEDHN C[C@H](CN1CCCCC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358570635 381315409 /nfs/dbraw/zinc/31/54/09/381315409.db2.gz NLFAAKKWABSNAY-KGLIPLIRSA-N 0 3 289.398 3.222 20 30 CGEDHN CC(C)[C@@H]1N(Cc2ccc(C#N)cc2)CC12CCOCC2 ZINC000334823342 207140596 /nfs/dbraw/zinc/14/05/96/207140596.db2.gz CBWUJYCERZODQT-KRWDZBQOSA-N 0 3 284.403 3.195 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H]1CCC(C)(C)O1 ZINC000360235983 381492691 /nfs/dbraw/zinc/49/26/91/381492691.db2.gz YGEHBEIXSQPQNV-HNNXBMFYSA-N 0 3 263.381 3.268 20 30 CGEDHN Cn1ccc(C(=O)C(C#N)c2nccc3ccccc32)c1 ZINC000361532820 381788309 /nfs/dbraw/zinc/78/83/09/381788309.db2.gz ZLXWMGYTMYQLAB-HNNXBMFYSA-N 0 3 275.311 3.063 20 30 CGEDHN Cn1cc(CN2CCC[C@@H]3CCCC[C@H]32)cc1C#N ZINC000361551818 381798824 /nfs/dbraw/zinc/79/88/24/381798824.db2.gz XTEBYPHOJASZMW-GOEBONIOSA-N 0 3 257.381 3.051 20 30 CGEDHN COCCN(Cc1cc(C#N)ccc1F)[C@H]1CC[C@@H](C)C1 ZINC000362157120 381891664 /nfs/dbraw/zinc/89/16/64/381891664.db2.gz OUZHMJNTMJTOCF-CJNGLKHVSA-N 0 3 290.382 3.334 20 30 CGEDHN CC(C)[C@H]1CN(CCOc2cccc(C#N)c2)CCS1 ZINC000362384688 381966295 /nfs/dbraw/zinc/96/62/95/381966295.db2.gz JSGOSQOXQZMTAG-MRXNPFEDSA-N 0 3 290.432 3.010 20 30 CGEDHN CC(C)(CCC#N)CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000367966197 382361943 /nfs/dbraw/zinc/36/19/43/382361943.db2.gz OJFNZGGSQWPWKU-KBPBESRZSA-N 0 3 264.413 3.206 20 30 CGEDHN C#CCCCC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000192070259 533015700 /nfs/dbraw/zinc/01/57/00/533015700.db2.gz DQQRBKZTSKCLRP-OAHLLOKOSA-N 0 3 292.448 3.051 20 30 CGEDHN C=CCCCCN[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000282427269 542385384 /nfs/dbraw/zinc/38/53/84/542385384.db2.gz SXZXYCBEDKJGQM-QGZVFWFLSA-N 0 3 269.392 3.455 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000336558414 533108789 /nfs/dbraw/zinc/10/87/89/533108789.db2.gz HLBLREOQNVSMHS-QMMMGPOBSA-N 0 3 271.147 3.111 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000353200724 542555292 /nfs/dbraw/zinc/55/52/92/542555292.db2.gz CKASZPAHHHGODP-FUHWJXTLSA-N 0 3 298.430 3.270 20 30 CGEDHN CC(C)(C#N)CCCCN1CCOC2(CCCC2)C1 ZINC000365431231 262364883 /nfs/dbraw/zinc/36/48/83/262364883.db2.gz HNBYTYVTSQMSCA-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN C[C@@H](NC[C@@H]1CCCS1)c1ccc(C#N)cc1F ZINC000358570003 533420548 /nfs/dbraw/zinc/42/05/48/533420548.db2.gz MZVYOJKHACIOAD-PWSUYJOCSA-N 0 3 264.369 3.244 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)[C@@H]2CCCCO2)cc1 ZINC000381718267 542598626 /nfs/dbraw/zinc/59/86/26/542598626.db2.gz TXMICHFNSIITBU-PBHICJAKSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOCCN[C@@H]1CCc2cc(Br)ccc21 ZINC000383228978 542600104 /nfs/dbraw/zinc/60/01/04/542600104.db2.gz BATIFKRSVSMZPF-CQSZACIVSA-N 0 3 296.208 3.229 20 30 CGEDHN Cc1cccc(C)c1OC[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000190864620 130155145 /nfs/dbraw/zinc/15/51/45/130155145.db2.gz MTYJYHUVNLPIQA-OAHLLOKOSA-N 0 3 297.402 3.071 20 30 CGEDHN C=CCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192069886 130363471 /nfs/dbraw/zinc/36/34/71/130363471.db2.gz HTFYRRLQOCEEGB-QWHCGFSZSA-N 0 3 255.720 3.085 20 30 CGEDHN C=CCC[C@H](NC[C@H]1CCCC[C@@H]1O)c1ccco1 ZINC000285990776 392360709 /nfs/dbraw/zinc/36/07/09/392360709.db2.gz IBGURFKWSSLEAG-ILXRZTDVSA-N 0 3 263.381 3.428 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000286132508 392377045 /nfs/dbraw/zinc/37/70/45/392377045.db2.gz OCLNVNHCBXFBBI-CQSZACIVSA-N 0 3 293.407 3.256 20 30 CGEDHN C=C(C)CN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263645308 131300458 /nfs/dbraw/zinc/30/04/58/131300458.db2.gz AMNBQDQBOHDDFS-UHFFFAOYSA-N 0 3 276.355 3.052 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000263778300 131328791 /nfs/dbraw/zinc/32/87/91/131328791.db2.gz GJGCYQOEXOSUAR-AWEZNQCLSA-N 0 3 292.448 3.043 20 30 CGEDHN C#C[C@H](NCc1ccc(Oc2cnccn2)cc1)C(C)C ZINC000289384675 392421188 /nfs/dbraw/zinc/42/11/88/392421188.db2.gz MVZKNNBCOUTYCT-INIZCTEOSA-N 0 3 281.359 3.016 20 30 CGEDHN C=CCC[C@H](O)CN(CC=C)Cc1ccc(OC)cc1 ZINC000123511430 392428585 /nfs/dbraw/zinc/42/85/85/392428585.db2.gz WEBHZERCEVAABZ-INIZCTEOSA-N 0 3 275.392 3.010 20 30 CGEDHN C=CCN1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000374022386 392666677 /nfs/dbraw/zinc/66/66/77/392666677.db2.gz QITKOIFGSJQHQS-HNNXBMFYSA-N 0 3 294.439 3.284 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccccc1OCC ZINC000320422892 392670674 /nfs/dbraw/zinc/67/06/74/392670674.db2.gz SXEHDAAQIVSELH-KBPBESRZSA-N 0 3 263.381 3.063 20 30 CGEDHN CC[C@@H]1CCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000329180912 392678585 /nfs/dbraw/zinc/67/85/85/392678585.db2.gz NFKDOAOENJAHHY-MNOVXSKESA-N 0 3 293.436 3.388 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000182646152 392747936 /nfs/dbraw/zinc/74/79/36/392747936.db2.gz BPJNWRMZQWKVIE-JSGCOSHPSA-N 0 3 259.349 3.411 20 30 CGEDHN C#CCCCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000183331418 392755459 /nfs/dbraw/zinc/75/54/59/392755459.db2.gz NOGZHXNSDFGZAC-OAHLLOKOSA-N 0 3 267.319 3.045 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000192061396 392838136 /nfs/dbraw/zinc/83/81/36/392838136.db2.gz SJTFSSALHPQUII-GASCZTMLSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1c(F)cncc1F ZINC000335575739 392800822 /nfs/dbraw/zinc/80/08/22/392800822.db2.gz MRHUOEGDQKGUQF-RWWNRMGGSA-N 0 3 279.334 3.483 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)CCC1(F)F ZINC000335673570 392805749 /nfs/dbraw/zinc/80/57/49/392805749.db2.gz VRUDSJSGIFFASQ-GFCCVEGCSA-N 0 3 264.319 3.230 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000335725481 392811261 /nfs/dbraw/zinc/81/12/61/392811261.db2.gz GUTSBVVIWHVYOO-YUMQZZPRSA-N 0 3 271.147 3.330 20 30 CGEDHN C=CCOCCN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000339080760 392945437 /nfs/dbraw/zinc/94/54/37/392945437.db2.gz NDXAXAJELONSNL-ZIAGYGMSSA-N 0 3 275.392 3.205 20 30 CGEDHN COc1cccc([C@H]2C[C@H](C)CN2CCOCCC#N)c1 ZINC000339084192 392947252 /nfs/dbraw/zinc/94/72/52/392947252.db2.gz NTWHIQYEXMWAPE-WMLDXEAASA-N 0 3 288.391 3.008 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cc(-c2ccccc2)on1 ZINC000411643746 392983930 /nfs/dbraw/zinc/98/39/30/392983930.db2.gz PXLULVGWJGDINZ-UHFFFAOYSA-N 0 3 299.418 3.281 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC[C@H](Oc3ccccc3)C2)C1 ZINC000411986467 392993279 /nfs/dbraw/zinc/99/32/79/392993279.db2.gz PJQXOBFQGCZPJT-ZOBUZTSGSA-N 0 3 270.376 3.222 20 30 CGEDHN COCC1(C#N)CCN(Cc2c(C)oc3ccccc32)CC1 ZINC000342833434 393008671 /nfs/dbraw/zinc/00/86/71/393008671.db2.gz AMJHCELXAZRVKJ-UHFFFAOYSA-N 0 3 298.386 3.493 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1c(F)cccc1Cl ZINC000346253634 393081824 /nfs/dbraw/zinc/08/18/24/393081824.db2.gz UMHWXKVNUKVJHJ-VIFPVBQESA-N 0 3 282.746 3.033 20 30 CGEDHN CCC(CC)CN(CCC#N)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000345326818 393053377 /nfs/dbraw/zinc/05/33/77/393053377.db2.gz VYOBJGVHYLOVFL-GASCZTMLSA-N 0 3 293.455 3.038 20 30 CGEDHN C[C@H](N[C@@H]1CSC[C@H]1C)c1ccc(C#N)cc1F ZINC000354010295 393237190 /nfs/dbraw/zinc/23/71/90/393237190.db2.gz MXNOEHXRUQFYJK-ISTVAULSSA-N 0 3 264.369 3.099 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000352833253 393211238 /nfs/dbraw/zinc/21/12/38/393211238.db2.gz HROSBTFLVSISEZ-IUCAKERBSA-N 0 3 289.326 3.225 20 30 CGEDHN C=CC(C)(C)CNCc1cnn(-c2ccccc2C)c1 ZINC000647214643 393392077 /nfs/dbraw/zinc/39/20/77/393392077.db2.gz JPBFKLIXAGORTF-UHFFFAOYSA-N 0 3 269.392 3.483 20 30 CGEDHN COc1cc(CN[C@@H]2CS[C@H](C(C)C)C2)ccc1C#N ZINC000356374123 393431159 /nfs/dbraw/zinc/43/11/59/393431159.db2.gz WUPUDYRDUAZLBB-HOCLYGCPSA-N 0 3 290.432 3.187 20 30 CGEDHN Cc1ccsc1[C@@H](CO)NCc1ccc(C#N)c(C)c1 ZINC000488101908 393457231 /nfs/dbraw/zinc/45/72/31/393457231.db2.gz VXRLPZYRSGBJAO-OAHLLOKOSA-N 0 3 286.400 3.060 20 30 CGEDHN Cc1cccc2c1CN(CCOc1ccc(C#N)cc1)CC2 ZINC000429560559 393478791 /nfs/dbraw/zinc/47/87/91/393478791.db2.gz OCTMFBCRLPTIJC-UHFFFAOYSA-N 0 3 292.382 3.304 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000443650370 393769818 /nfs/dbraw/zinc/76/98/18/393769818.db2.gz IVYFFQGBFYNQCW-ILXRZTDVSA-N 0 3 299.418 3.253 20 30 CGEDHN N#Cc1csc(CN2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449541748 393891361 /nfs/dbraw/zinc/89/13/61/393891361.db2.gz OUJLTHORWXWQSM-HUUCEWRRSA-N 0 3 258.390 3.240 20 30 CGEDHN COc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cc1C#N ZINC000449545658 393893400 /nfs/dbraw/zinc/89/34/00/393893400.db2.gz ZEYQWWLXCISBGL-AEFFLSMTSA-N 0 3 282.387 3.187 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccnn2CC2CC2)C1 ZINC000668494150 543019841 /nfs/dbraw/zinc/01/98/41/543019841.db2.gz WOORLXZEUJMKAZ-CQSZACIVSA-N 0 3 259.397 3.081 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000668493466 543020279 /nfs/dbraw/zinc/02/02/79/543020279.db2.gz NYBQAMZDIJNGOS-ZDUSSCGKSA-N 0 3 291.391 3.198 20 30 CGEDHN C#CCCN1CCC(NC(=O)C[C@H](CC)CCCC)CC1 ZINC000743492615 572666913 /nfs/dbraw/zinc/66/69/13/572666913.db2.gz XPCQFPCCLOTVGT-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCOc1ccc(CNCc2cnc3ccccn23)cc1 ZINC000671723926 543181150 /nfs/dbraw/zinc/18/11/50/543181150.db2.gz FXBKLGFZSRJFRY-UHFFFAOYSA-N 0 3 293.370 3.189 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000671745210 543184845 /nfs/dbraw/zinc/18/48/45/543184845.db2.gz BXLHWWLQAFEHQM-LLVKDONJSA-N 0 3 281.340 3.423 20 30 CGEDHN C=C(C)CN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000649781715 397718656 /nfs/dbraw/zinc/71/86/56/397718656.db2.gz YYNNQXPHFDNKRH-GXTWGEPZSA-N 0 3 275.396 3.024 20 30 CGEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(C#N)cc1 ZINC000223664636 397667472 /nfs/dbraw/zinc/66/74/72/397667472.db2.gz LMDVWKOVGVWZCH-LBPRGKRZSA-N 0 3 279.318 3.420 20 30 CGEDHN COCC#CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC000677819045 543467879 /nfs/dbraw/zinc/46/78/79/543467879.db2.gz PDEGHIHWFAXEMY-LJQANCHMSA-N 0 3 279.383 3.210 20 30 CGEDHN C=C(CC)CN1CCC2(CC1)OCc1ccccc12 ZINC000678625214 543547421 /nfs/dbraw/zinc/54/74/21/543547421.db2.gz PIHUQVAQAZWTKE-UHFFFAOYSA-N 0 3 257.377 3.474 20 30 CGEDHN CCCC[C@H](NCC#CCOC)c1ccc(OC)cc1 ZINC000678763031 543553895 /nfs/dbraw/zinc/55/38/95/543553895.db2.gz BMKSAPSSIVYXAT-KRWDZBQOSA-N 0 3 275.392 3.166 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(SCC)cc1 ZINC000678764041 543554199 /nfs/dbraw/zinc/55/41/99/543554199.db2.gz KXJNKTFXSABAEF-IUODEOHRSA-N 0 3 265.422 3.386 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)CC[C@H]1C ZINC000076149693 165112805 /nfs/dbraw/zinc/11/28/05/165112805.db2.gz CFHJZSYZWCXLOD-UONOGXRCSA-N 0 3 288.391 3.066 20 30 CGEDHN COc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1C#N ZINC000087833116 165189049 /nfs/dbraw/zinc/18/90/49/165189049.db2.gz GKTRISADUXKJLK-BETUJISGSA-N 0 3 258.365 3.330 20 30 CGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccsc1 ZINC000090107762 287099751 /nfs/dbraw/zinc/09/97/51/287099751.db2.gz BJUKHVFDOLLMJF-GFCCVEGCSA-N 0 3 272.373 3.349 20 30 CGEDHN C[C@@H](c1ccncc1)N(C)CCCOc1cccc(C#N)c1 ZINC000091989007 165278516 /nfs/dbraw/zinc/27/85/16/165278516.db2.gz DONIZHNJHYWOLZ-HNNXBMFYSA-N 0 3 295.386 3.415 20 30 CGEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccsc1 ZINC000035206424 172051418 /nfs/dbraw/zinc/05/14/18/172051418.db2.gz PVIFTWPSQYLHHV-UHFFFAOYSA-N 0 3 299.399 3.080 20 30 CGEDHN Cc1cccc(CNCc2cccc(C#N)c2)c1C ZINC000043314189 175003949 /nfs/dbraw/zinc/00/39/49/175003949.db2.gz TWTGFKHITRIRRW-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN Cc1cccc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000271812473 224699960 /nfs/dbraw/zinc/69/99/60/224699960.db2.gz BAIRRQZLRVMGLU-KBXCAEBGSA-N 0 3 280.371 3.251 20 30 CGEDHN C=CCCCN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679676509 543655819 /nfs/dbraw/zinc/65/58/19/543655819.db2.gz YWONUFOGPJSWEU-AWEZNQCLSA-N 0 3 287.325 3.378 20 30 CGEDHN C=CCOCCN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000679769799 543660763 /nfs/dbraw/zinc/66/07/63/543660763.db2.gz MDZUUJBZQRDSMG-HNNXBMFYSA-N 0 3 269.335 3.454 20 30 CGEDHN CCC#C[C@H](C)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000679870866 543666413 /nfs/dbraw/zinc/66/64/13/543666413.db2.gz HCDZJOXOPKCQHW-INIZCTEOSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CCN[C@H](Cn1cccn1)c1ccccc1 ZINC000681406672 543787085 /nfs/dbraw/zinc/78/70/85/543787085.db2.gz VNLIHVHAWYNAST-MRXNPFEDSA-N 0 3 255.365 3.180 20 30 CGEDHN CC#CCCNCc1c(Cl)ccc2cccnc21 ZINC000681489871 543791056 /nfs/dbraw/zinc/79/10/56/543791056.db2.gz OPTRJQNREAQQHY-UHFFFAOYSA-N 0 3 258.752 3.391 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000681758215 543807136 /nfs/dbraw/zinc/80/71/36/543807136.db2.gz MFCNGYPDJHBWMU-CYBMUJFWSA-N 0 3 263.381 3.490 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)CC1=Cc2ccccc2OC1 ZINC000131184064 287372644 /nfs/dbraw/zinc/37/26/44/287372644.db2.gz YUYPVHBZMFSNEN-UHFFFAOYSA-N 0 3 290.366 3.466 20 30 CGEDHN N#CCCCCN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347347026 226121782 /nfs/dbraw/zinc/12/17/82/226121782.db2.gz QWBAMGLJEWDIAH-HUUCEWRRSA-N 0 3 290.432 3.181 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000684622314 544020708 /nfs/dbraw/zinc/02/07/08/544020708.db2.gz LHAYONICKXHABG-QGZVFWFLSA-N 0 3 285.431 3.166 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000349814749 226850056 /nfs/dbraw/zinc/85/00/56/226850056.db2.gz WCGVPEUEFFCWGY-VXGBXAGGSA-N 0 3 284.281 3.367 20 30 CGEDHN C=CCC1(NC(=O)Nc2cccc3c2CCNC3)CCCC1 ZINC000659019061 418956802 /nfs/dbraw/zinc/95/68/02/418956802.db2.gz VKXHVIOSRXIOPF-UHFFFAOYSA-N 0 3 299.418 3.343 20 30 CGEDHN C=CCCn1cc(CN(CC2CC2)C2CCCCC2)nn1 ZINC000653539766 419044572 /nfs/dbraw/zinc/04/45/72/419044572.db2.gz KXQRNLIKUJCURS-UHFFFAOYSA-N 0 3 288.439 3.399 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC(C)(C)C[C@H]2C)nn1 ZINC000653619766 419060785 /nfs/dbraw/zinc/06/07/85/419060785.db2.gz DJROSIZUTQZKKQ-UKRRQHHQSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)nn1 ZINC000653754957 419080510 /nfs/dbraw/zinc/08/05/10/419080510.db2.gz ASUDXCJUKJNWOF-ILXRZTDVSA-N 0 3 276.428 3.159 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660535966 419158601 /nfs/dbraw/zinc/15/86/01/419158601.db2.gz DETFCFVXGGWGRS-QDMKHBRRSA-N 0 3 275.392 3.196 20 30 CGEDHN C=CCN(Cc1cccc(SC)c1)[C@H](C)COC ZINC000661241073 419244178 /nfs/dbraw/zinc/24/41/78/419244178.db2.gz WOMPGLPFEAGOTL-CYBMUJFWSA-N 0 3 265.422 3.431 20 30 CGEDHN C=CCN(Cc1cc(F)cc2cccnc21)[C@H](C)COC ZINC000661243415 419244280 /nfs/dbraw/zinc/24/42/80/419244280.db2.gz KUJUAZMMNUSNKP-CYBMUJFWSA-N 0 3 288.366 3.397 20 30 CGEDHN C=CCCn1cc(CNCC[C@@H]2CCCC[C@H]2C)nn1 ZINC000657361631 419259402 /nfs/dbraw/zinc/25/94/02/419259402.db2.gz OPHQYMCWWMKXBV-CABCVRRESA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCCn1cc(CNCC[C@@H]2CCC[C@H](C)C2)nn1 ZINC000657362647 419260829 /nfs/dbraw/zinc/26/08/29/419260829.db2.gz FOWBSKFIKHZMJJ-GJZGRUSLSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C)n1C1CC1 ZINC000661114696 419231412 /nfs/dbraw/zinc/23/14/12/419231412.db2.gz KBPWHGJYYNHJRB-HIFRSBDPSA-N 0 3 274.412 3.146 20 30 CGEDHN C=CCCn1cc(CNCC(C)(C)C2CCCC2)nn1 ZINC000657416568 419273484 /nfs/dbraw/zinc/27/34/84/419273484.db2.gz VIIBSCFEFVYPGH-UHFFFAOYSA-N 0 3 276.428 3.160 20 30 CGEDHN CC#CCCN1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000661712401 419290147 /nfs/dbraw/zinc/29/01/47/419290147.db2.gz QSQHAOORUMLEMQ-QGZVFWFLSA-N 0 3 257.377 3.072 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)CC1CCCCCC1 ZINC000331875535 228134593 /nfs/dbraw/zinc/13/45/93/228134593.db2.gz MRSAIWBMTBIOND-LBPRGKRZSA-N 0 3 250.386 3.401 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000336153309 228198270 /nfs/dbraw/zinc/19/82/70/228198270.db2.gz IURBQXZULMMEFA-RHSMWYFYSA-N 0 3 270.376 3.116 20 30 CGEDHN CC#CCCN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662213563 419362349 /nfs/dbraw/zinc/36/23/49/419362349.db2.gz AHCHYURRVVFQDR-UHFFFAOYSA-N 0 3 267.372 3.340 20 30 CGEDHN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000191509747 287594151 /nfs/dbraw/zinc/59/41/51/287594151.db2.gz FFNGKFFTFBXTGF-FZKQIMNGSA-N 0 3 279.387 3.310 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccccc1 ZINC000107071651 260232412 /nfs/dbraw/zinc/23/24/12/260232412.db2.gz NHEJGEBISSROBD-HUUCEWRRSA-N 0 3 274.408 3.150 20 30 CGEDHN C#CCCCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000090398804 260259465 /nfs/dbraw/zinc/25/94/65/260259465.db2.gz VVFZRXQKQDTCBL-ZDUSSCGKSA-N 0 3 261.365 3.158 20 30 CGEDHN COC[C@H](NC1CCC(C)(C#N)CC1)c1ccc(C)o1 ZINC000449177265 260273468 /nfs/dbraw/zinc/27/34/68/260273468.db2.gz PMFQGUGAIBIDSH-BBBYJDLNSA-N 0 3 276.380 3.338 20 30 CGEDHN C=CCC[C@@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000130541002 260397950 /nfs/dbraw/zinc/39/79/50/260397950.db2.gz LWJKPVLCVCGEKD-CHWSQXEVSA-N 0 3 262.401 3.010 20 30 CGEDHN C=CCN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000154783913 261094738 /nfs/dbraw/zinc/09/47/38/261094738.db2.gz WFXDYFWFFXJRSS-UHFFFAOYSA-N 0 3 280.375 3.082 20 30 CGEDHN C=CC1CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000448333748 261117415 /nfs/dbraw/zinc/11/74/15/261117415.db2.gz DPHASIHJBVJQHP-UHFFFAOYSA-N 0 3 267.376 3.270 20 30 CGEDHN CC1CCN(CCSc2ccccc2C#N)CC1 ZINC000178158579 261377464 /nfs/dbraw/zinc/37/74/64/261377464.db2.gz IRDQNBJPWBEOAR-UHFFFAOYSA-N 0 3 260.406 3.382 20 30 CGEDHN C#C[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(C)(C)C ZINC000491229536 261380758 /nfs/dbraw/zinc/38/07/58/261380758.db2.gz HVLAACSMMLIVOR-BBRMVZONSA-N 0 3 270.376 3.115 20 30 CGEDHN N#CCCCN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181233198 261889814 /nfs/dbraw/zinc/88/98/14/261889814.db2.gz NZNOJHSTIUCDRS-GOEBONIOSA-N 0 3 258.365 3.048 20 30 CGEDHN CCOCc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185774878 262069866 /nfs/dbraw/zinc/06/98/66/262069866.db2.gz LQIHAIRSSKXIOZ-SJORKVTESA-N 0 3 272.392 3.395 20 30 CGEDHN CCN(CC)C(=O)OC[C@@H]1CCCCN1CCCCC#N ZINC000497230543 262118034 /nfs/dbraw/zinc/11/80/34/262118034.db2.gz XPTLJQYQPSHOHK-HNNXBMFYSA-N 0 3 295.427 3.013 20 30 CGEDHN N#CCCCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192022759 262197462 /nfs/dbraw/zinc/19/74/62/262197462.db2.gz CMHZDKVXMKTTIE-KGLIPLIRSA-N 0 3 264.756 3.063 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OC(F)F)cc2)C1 ZINC000192607315 262206048 /nfs/dbraw/zinc/20/60/48/262206048.db2.gz JCUXXALGKJHVBJ-CHWSQXEVSA-N 0 3 280.318 3.460 20 30 CGEDHN C=CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000365177209 262282686 /nfs/dbraw/zinc/28/26/86/262282686.db2.gz KZECSUKEAGHTHB-CRAIPNDOSA-N 0 3 295.386 3.276 20 30 CGEDHN C(#Cc1ccccc1)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000365279279 262357761 /nfs/dbraw/zinc/35/77/61/262357761.db2.gz XUCIQXFPVBOQCK-VQTJNVASSA-N 0 3 291.394 3.406 20 30 CGEDHN COc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1OC ZINC000414170388 262813425 /nfs/dbraw/zinc/81/34/25/262813425.db2.gz SUIAYKQRGHVESY-GFCCVEGCSA-N 0 3 276.380 3.294 20 30 CGEDHN CC(C)(C#N)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000272009628 263001266 /nfs/dbraw/zinc/00/12/66/263001266.db2.gz KAUZKNJPIXIYEM-UHFFFAOYSA-N 0 3 267.376 3.463 20 30 CGEDHN Cc1cc(NCCCC#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000273312449 263015167 /nfs/dbraw/zinc/01/51/67/263015167.db2.gz ITDNBMKIUSSKCR-UHFFFAOYSA-N 0 3 270.292 3.167 20 30 CGEDHN N#CCCCN[C@H]1CCSc2ccc(F)cc21 ZINC000273323113 263015390 /nfs/dbraw/zinc/01/53/90/263015390.db2.gz ZUPIHXAQVCRYON-LBPRGKRZSA-N 0 3 250.342 3.256 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@]3(CCSC3)C2)cc1 ZINC000451982734 263019046 /nfs/dbraw/zinc/01/90/46/263019046.db2.gz UBZVHKQWPQRJIA-KRWDZBQOSA-N 0 3 289.419 3.396 20 30 CGEDHN Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000274569030 263026531 /nfs/dbraw/zinc/02/65/31/263026531.db2.gz AOXPIRJMMLYJFL-SGMGOOAPSA-N 0 3 273.336 3.246 20 30 CGEDHN COc1ccc(OC)c([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 ZINC000274611810 263027702 /nfs/dbraw/zinc/02/77/02/263027702.db2.gz KIWUTTHAFOEKFU-AVGNSLFASA-N 0 3 274.364 3.047 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000274645252 263028447 /nfs/dbraw/zinc/02/84/47/263028447.db2.gz RXHYTLLPFNTOGF-ZLDLUXBVSA-N 0 3 273.336 3.328 20 30 CGEDHN COc1ccc(F)cc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000274663692 263028937 /nfs/dbraw/zinc/02/89/37/263028937.db2.gz WEFWJPZYTSCHHA-DMDPSCGWSA-N 0 3 262.328 3.177 20 30 CGEDHN C=CCCN(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000276116029 263034996 /nfs/dbraw/zinc/03/49/96/263034996.db2.gz ISBYDXOILOEPLK-UHFFFAOYSA-N 0 3 288.391 3.386 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC000278213635 263045800 /nfs/dbraw/zinc/04/58/00/263045800.db2.gz IGDYOHCLXCLQDQ-JQWIXIFHSA-N 0 3 250.292 3.137 20 30 CGEDHN COCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(C)o1 ZINC000278773799 263050838 /nfs/dbraw/zinc/05/08/38/263050838.db2.gz PHVABFGEAMQSQV-ILXRZTDVSA-N 0 3 276.380 3.338 20 30 CGEDHN CC(C)(C#N)CCCCN[C@H](CCO)c1ccco1 ZINC000278875718 263051599 /nfs/dbraw/zinc/05/15/99/263051599.db2.gz SWGFJQTYHVZKCY-CYBMUJFWSA-N 0 3 264.369 3.013 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)[C@](C)(C#N)CC)c1 ZINC000284982556 263088865 /nfs/dbraw/zinc/08/88/65/263088865.db2.gz BTARKSVCGBFCMM-KRWDZBQOSA-N 0 3 287.407 3.407 20 30 CGEDHN C=CCN(CCc1cscn1)Cc1ccccc1 ZINC000340276437 263103959 /nfs/dbraw/zinc/10/39/59/263103959.db2.gz FZZDYGRTEOXVRG-UHFFFAOYSA-N 0 3 258.390 3.374 20 30 CGEDHN CN(C)c1ccccc1CN(C)CCC(C)(C)C#N ZINC000288565270 263104880 /nfs/dbraw/zinc/10/48/80/263104880.db2.gz AVTMYSAWDFVGOQ-UHFFFAOYSA-N 0 3 259.397 3.124 20 30 CGEDHN C=CCC[C@H](NC[C@@H]1CCC[C@H](O)C1)c1ccco1 ZINC000353514564 263107670 /nfs/dbraw/zinc/10/76/70/263107670.db2.gz CCFYWZCLLQEIAH-ILXRZTDVSA-N 0 3 263.381 3.428 20 30 CGEDHN N#CCCCCN1CCC(F)(c2ccccn2)CC1 ZINC000289384387 263109849 /nfs/dbraw/zinc/10/98/49/263109849.db2.gz QJQSAFMLAYMBLA-UHFFFAOYSA-N 0 3 261.344 3.036 20 30 CGEDHN CCN(CC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291480126 263123144 /nfs/dbraw/zinc/12/31/44/263123144.db2.gz QTJTVEVHPIUCOU-INIZCTEOSA-N 0 3 297.402 3.135 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)[C@@H]1OCCc2sccc21 ZINC000292368686 263131554 /nfs/dbraw/zinc/13/15/54/263131554.db2.gz ISMFKNDTTNIVPG-FZMZJTMJSA-N 0 3 278.421 3.280 20 30 CGEDHN N#CCCCN[C@@H]1CCc2c1ccc(F)c2Br ZINC000295426674 263177548 /nfs/dbraw/zinc/17/75/48/263177548.db2.gz OIIXKXDPPCJIIX-GFCCVEGCSA-N 0 3 297.171 3.469 20 30 CGEDHN C[C@H](CCC#N)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000297919808 263212140 /nfs/dbraw/zinc/21/21/40/263212140.db2.gz QIJPJMQNPQEKRG-RHSMWYFYSA-N 0 3 272.392 3.124 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(N2CCc3ccccc32)CC1 ZINC000298416802 263219314 /nfs/dbraw/zinc/21/93/14/263219314.db2.gz FTVNYSJZKFTSHQ-HNNXBMFYSA-N 0 3 283.419 3.206 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](CC)c1ccc(F)cc1F ZINC000453353159 263246118 /nfs/dbraw/zinc/24/61/18/263246118.db2.gz KZNCCEXNOSDJFE-WFASDCNBSA-N 0 3 269.335 3.333 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000341101221 263322524 /nfs/dbraw/zinc/32/25/24/263322524.db2.gz JDAQLHZUTWUPFJ-HOCLYGCPSA-N 0 3 270.376 3.160 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc2ccccc2o1 ZINC000341876374 263360856 /nfs/dbraw/zinc/36/08/56/263360856.db2.gz JMDSQEXUYIBEQN-QWHCGFSZSA-N 0 3 259.349 3.268 20 30 CGEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000341887732 263363889 /nfs/dbraw/zinc/36/38/89/263363889.db2.gz ZPCCDNPELDWORI-WFASDCNBSA-N 0 3 295.810 3.328 20 30 CGEDHN C=CCOCCCN1CCC(CC(F)(F)F)CC1 ZINC000341974975 263368810 /nfs/dbraw/zinc/36/88/10/263368810.db2.gz IFXMZAPVDHFADL-UHFFFAOYSA-N 0 3 265.319 3.244 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000341999721 263375005 /nfs/dbraw/zinc/37/50/05/263375005.db2.gz DTGJDHDXLYFJRD-AQFXKWCLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCN(C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000076737485 264342851 /nfs/dbraw/zinc/34/28/51/264342851.db2.gz BVDBVWMJUDVBKF-UHFFFAOYSA-N 0 3 271.360 3.499 20 30 CGEDHN C#CCCCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000183331399 264553712 /nfs/dbraw/zinc/55/37/12/264553712.db2.gz NOGZHXNSDFGZAC-HNNXBMFYSA-N 0 3 267.319 3.045 20 30 CGEDHN CC(C#N)C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000334630962 265066785 /nfs/dbraw/zinc/06/67/85/265066785.db2.gz LYWOYKTWEQCSCN-LBPRGKRZSA-N 0 3 276.339 3.374 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)CCCC)CC1 ZINC000519270382 265380689 /nfs/dbraw/zinc/38/06/89/265380689.db2.gz KJSPXKBCVUQWTJ-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C[C@@H]1CCCC[C@H]1OCCN1CCC(C)(C#N)CC1 ZINC000356451443 266116958 /nfs/dbraw/zinc/11/69/58/266116958.db2.gz GUUQGPUREIKYSX-HUUCEWRRSA-N 0 3 264.413 3.207 20 30 CGEDHN C=CCN(CCOc1ccccc1OCC)C1CC1 ZINC000357552463 266322145 /nfs/dbraw/zinc/32/21/45/266322145.db2.gz MNGBKUKYNJBFNL-UHFFFAOYSA-N 0 3 261.365 3.115 20 30 CGEDHN C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000528001155 270150141 /nfs/dbraw/zinc/15/01/41/270150141.db2.gz HVVBUTMAXNUJKA-RPHNGCRZSA-N 0 3 276.355 3.160 20 30 CGEDHN C#CCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000370605101 267331043 /nfs/dbraw/zinc/33/10/43/267331043.db2.gz VXAUVZDLGNMESE-UHFFFAOYSA-N 0 3 275.779 3.258 20 30 CGEDHN CCCN(CCC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019846799 273609589 /nfs/dbraw/zinc/60/95/89/273609589.db2.gz JBWHYJIZQPABCO-CYBMUJFWSA-N 0 3 273.380 3.007 20 30 CGEDHN CC1(C)OCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000294609041 275880511 /nfs/dbraw/zinc/88/05/11/275880511.db2.gz DREXHMDEIGJRIJ-AWEZNQCLSA-N 0 3 297.320 3.214 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2ccc(Cl)cc2)[C@@H]2CCO[C@@H]21 ZINC000296071076 275889656 /nfs/dbraw/zinc/88/96/56/275889656.db2.gz GOKFGWNJLUPQNV-XHSDSOJGSA-N 0 3 289.806 3.095 20 30 CGEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)C(C)C ZINC000129700727 276087062 /nfs/dbraw/zinc/08/70/62/276087062.db2.gz JUWUSYAQYHSFMG-GFCCVEGCSA-N 0 3 291.395 3.073 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)[C@H]1SC ZINC000298538254 279880027 /nfs/dbraw/zinc/88/00/27/279880027.db2.gz STGKXRAWPCIBGF-MSQAHXEGSA-N 0 3 290.432 3.118 20 30 CGEDHN Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000271161674 281393281 /nfs/dbraw/zinc/39/32/81/281393281.db2.gz IWTYWWRWEVOZRD-AWEZNQCLSA-N 0 3 266.344 3.449 20 30 CGEDHN C[C@@H]1Cc2ccccc2N1CCNCc1ccc(C#N)cc1 ZINC000067452338 288817375 /nfs/dbraw/zinc/81/73/75/288817375.db2.gz LUULJKOVTZYAPF-OAHLLOKOSA-N 0 3 291.398 3.099 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)nc1 ZINC000554066329 289254259 /nfs/dbraw/zinc/25/42/59/289254259.db2.gz GKVNXIXOUMAPMB-MJGOQNOKSA-N 0 3 291.398 3.454 20 30 CGEDHN CC[C@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000580709610 327697166 /nfs/dbraw/zinc/69/71/66/327697166.db2.gz HZBPIXJXPUDXMN-JKSUJKDBSA-N 0 3 255.365 3.041 20 30 CGEDHN CCC(CC)[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)CCO1 ZINC000580186596 327725132 /nfs/dbraw/zinc/72/51/32/327725132.db2.gz AITCCEOFNQEBTM-KBMXLJTQSA-N 0 3 277.412 3.003 20 30 CGEDHN N#CCCOCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000339250475 328003460 /nfs/dbraw/zinc/00/34/60/328003460.db2.gz UXVXZZQELXYYDJ-CQSZACIVSA-N 0 3 278.783 3.060 20 30 CGEDHN C=C(Cl)CN[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000160999791 328116315 /nfs/dbraw/zinc/11/63/15/328116315.db2.gz KRPFJQNYHYKZNZ-RYUDHWBXSA-N 0 3 288.819 3.164 20 30 CGEDHN C=CCCCCN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000571612058 328137495 /nfs/dbraw/zinc/13/74/95/328137495.db2.gz FUPFVYLNTLXSDH-AWEZNQCLSA-N 0 3 270.380 3.274 20 30 CGEDHN N#CCCOCCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000292934251 328273950 /nfs/dbraw/zinc/27/39/50/328273950.db2.gz ZJJMLYOPWJCQTL-MRXNPFEDSA-N 0 3 276.355 3.187 20 30 CGEDHN CCc1oc2ccccc2c1CN(C)CCOCCC#N ZINC000293529160 328276367 /nfs/dbraw/zinc/27/63/67/328276367.db2.gz PGSVUTGRTSHYGM-UHFFFAOYSA-N 0 3 286.375 3.357 20 30 CGEDHN CCc1nocc1CN(C)CCCCC(C)(C)C#N ZINC000293552107 328276613 /nfs/dbraw/zinc/27/66/13/328276613.db2.gz ZDNDHHOFVVSZFM-UHFFFAOYSA-N 0 3 263.385 3.389 20 30 CGEDHN N#CCC1(CN[C@H]2CCCc3c(O)cccc32)CC1 ZINC000340533846 328289852 /nfs/dbraw/zinc/28/98/52/328289852.db2.gz PTDHSXNMSGQANS-AWEZNQCLSA-N 0 3 256.349 3.053 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1cc(C#N)cs1 ZINC000564324168 322027316 /nfs/dbraw/zinc/02/73/16/322027316.db2.gz FWZDIFHKBSMUTH-NSHDSACASA-N 0 3 254.424 3.193 20 30 CGEDHN CC[C@H](C)[C@@H](C)N(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000569464499 322248097 /nfs/dbraw/zinc/24/80/97/322248097.db2.gz HTLXCZBQVCOERC-UONOGXRCSA-N 0 3 299.418 3.396 20 30 CGEDHN Cc1n[nH]cc1C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000571546223 322301699 /nfs/dbraw/zinc/30/16/99/322301699.db2.gz RZWLJYGKJACDNP-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN C=C(C)CN(CC)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000535062363 328382248 /nfs/dbraw/zinc/38/22/48/328382248.db2.gz QNMHPRKCZOSRIV-ZDUSSCGKSA-N 0 3 275.392 3.417 20 30 CGEDHN C=CC[C@@H](CO)CNCc1csc(-c2ccccc2)n1 ZINC000341270412 328405896 /nfs/dbraw/zinc/40/58/96/328405896.db2.gz LVGNSJOEZCXUAU-CYBMUJFWSA-N 0 3 288.416 3.084 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000281595554 328499553 /nfs/dbraw/zinc/49/95/53/328499553.db2.gz CVUQWCRKCGVNGV-QGZVFWFLSA-N 0 3 286.419 3.367 20 30 CGEDHN C=CCSCCNCc1ccc(OC)c(Cl)c1 ZINC000230655537 329367821 /nfs/dbraw/zinc/36/78/21/329367821.db2.gz SBNVEJKEXHQADB-UHFFFAOYSA-N 0 3 271.813 3.357 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)cc1F ZINC000090884001 327101556 /nfs/dbraw/zinc/10/15/56/327101556.db2.gz GWXIOTSDPGUMGV-LBPRGKRZSA-N 0 3 267.344 3.078 20 30 CGEDHN C=CCCCN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000448023413 327207895 /nfs/dbraw/zinc/20/78/95/327207895.db2.gz AHERUOFOBWSIEO-GFCCVEGCSA-N 0 3 288.370 3.332 20 30 CGEDHN CN(C)Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000361426082 328925291 /nfs/dbraw/zinc/92/52/91/328925291.db2.gz LKZFIRYNCAVHEP-CZUORRHYSA-N 0 3 289.398 3.059 20 30 CGEDHN COCc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000194166772 329066224 /nfs/dbraw/zinc/06/62/24/329066224.db2.gz WLJVUBMBHBLSIZ-UHFFFAOYSA-N 0 3 296.370 3.025 20 30 CGEDHN COc1cc(CNCc2ccc(CC#N)cc2)cc(OC)c1 ZINC000514672559 329191298 /nfs/dbraw/zinc/19/12/98/329191298.db2.gz OUYTUIICPNDVHQ-UHFFFAOYSA-N 0 3 296.370 3.060 20 30 CGEDHN N#CC1(c2ccccc2)CC(NC[C@H]2CCCS2)C1 ZINC000149568019 329209137 /nfs/dbraw/zinc/20/91/37/329209137.db2.gz SIIAYXHOIFAPLC-HWOWSKLDSA-N 0 3 272.417 3.096 20 30 CGEDHN C=CCSCCN[C@H]1CCc2c1cccc2F ZINC000221939701 329215773 /nfs/dbraw/zinc/21/57/73/329215773.db2.gz NDFGOCMFNPNKET-AWEZNQCLSA-N 0 3 251.370 3.322 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC)c(OCCC)c1 ZINC000181048679 329225381 /nfs/dbraw/zinc/22/53/81/329225381.db2.gz POQDRMMELNXPQN-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C=C(C)CN(C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000181265824 329228875 /nfs/dbraw/zinc/22/88/75/329228875.db2.gz QGFJITXJVMNSDG-UHFFFAOYSA-N 0 3 298.386 3.218 20 30 CGEDHN C=C(CN[C@@H]1C[C@@H](OCC)[C@H]1SC)c1ccccc1 ZINC000459380316 329232671 /nfs/dbraw/zinc/23/26/71/329232671.db2.gz BENIAJPAIGXKIY-OAGGEKHMSA-N 0 3 277.433 3.198 20 30 CGEDHN CC(C)C(CNCc1nc(C#N)cs1)C(C)C ZINC000395259341 329285151 /nfs/dbraw/zinc/28/51/51/329285151.db2.gz WUWMWERWVANJJQ-UHFFFAOYSA-N 0 3 251.399 3.033 20 30 CGEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@@H]1COc2ccccc21 ZINC000185553576 329326492 /nfs/dbraw/zinc/32/64/92/329326492.db2.gz OCAFNHQDKBJEBE-KSSFIOAISA-N 0 3 295.357 3.332 20 30 CGEDHN Cc1nn(-c2ccccc2)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185896037 329334686 /nfs/dbraw/zinc/33/46/86/329334686.db2.gz QSKBBWAESNGCPF-WBVHZDCISA-N 0 3 294.402 3.353 20 30 CGEDHN Cc1ccc(-c2n[nH]cc2CNCC(C)(C)CC#N)o1 ZINC000459685592 329361816 /nfs/dbraw/zinc/36/18/16/329361816.db2.gz FLXGQFBBVHSAMG-UHFFFAOYSA-N 0 3 272.352 3.008 20 30 CGEDHN CC(C)(CC#N)CNCc1cc(-c2ccccc2)n[nH]1 ZINC000459733621 329373297 /nfs/dbraw/zinc/37/32/97/329373297.db2.gz QQNXCSPWPFLEPT-UHFFFAOYSA-N 0 3 268.364 3.106 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(Cl)cc1OC ZINC000421831551 330090898 /nfs/dbraw/zinc/09/08/98/330090898.db2.gz FFEXWFKBDFMKEA-NEPJUHHUSA-N 0 3 283.799 3.184 20 30 CGEDHN COc1cc(Cl)ccc1[C@@H](C)NCCCC#N ZINC000421841907 330093979 /nfs/dbraw/zinc/09/39/79/330093979.db2.gz LYCFSSPFRMCLBS-SNVBAGLBSA-N 0 3 252.745 3.303 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)CC(F)(F)F ZINC000279261018 330122224 /nfs/dbraw/zinc/12/22/24/330122224.db2.gz ICZXMPLSTATGAR-AWEZNQCLSA-N 0 3 287.325 3.378 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](OC(F)F)C1 ZINC000580454676 330141871 /nfs/dbraw/zinc/14/18/71/330141871.db2.gz XOACCOFDKFUCSF-ZDUSSCGKSA-N 0 3 294.345 3.301 20 30 CGEDHN C[C@@H]1C[C@@H](C)N1Cc1cccc(OCCCC#N)c1 ZINC000527238693 330240627 /nfs/dbraw/zinc/24/06/27/330240627.db2.gz OZMGINDRSCHYQG-ZIAGYGMSSA-N 0 3 258.365 3.352 20 30 CGEDHN COc1cccc([C@H](CN[C@@H]2CCC[C@@H](C#N)C2)OC)c1 ZINC000527923431 330296133 /nfs/dbraw/zinc/29/61/33/330296133.db2.gz DAPWLOAZDHAWCM-UNEWFSDZSA-N 0 3 288.391 3.055 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC000527972432 330301765 /nfs/dbraw/zinc/30/17/65/330301765.db2.gz DDCCZMHHCUCIPA-BFHYXJOUSA-N 0 3 288.391 3.437 20 30 CGEDHN CCC1(CC)CN(C(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424174227 330314309 /nfs/dbraw/zinc/31/43/09/330314309.db2.gz LWSPGECSPMNVAR-OAHLLOKOSA-N 0 3 299.418 3.112 20 30 CGEDHN COc1ccc(CN[C@H]2CC23CC3)cc1OCCCC#N ZINC000424184472 330320111 /nfs/dbraw/zinc/32/01/11/330320111.db2.gz MIAQYDPJGUMNAM-INIZCTEOSA-N 0 3 286.375 3.020 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(OC)cc1Cl ZINC000424292529 330335077 /nfs/dbraw/zinc/33/50/77/330335077.db2.gz VUJRWHOHJHYYRI-NEPJUHHUSA-N 0 3 283.799 3.184 20 30 CGEDHN COc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424321202 330340210 /nfs/dbraw/zinc/34/02/10/330340210.db2.gz HCKYXEXPIWDNAV-WOSRLPQWSA-N 0 3 286.375 3.191 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000424334463 330343124 /nfs/dbraw/zinc/34/31/24/330343124.db2.gz VPBRBTYJRQECRE-RWMBFGLXSA-N 0 3 274.364 3.047 20 30 CGEDHN N#CCC1(CN[C@@H](c2cccnc2)C2CCC2)CC1 ZINC000430725029 330571470 /nfs/dbraw/zinc/57/14/70/330571470.db2.gz PPGBNEZQGZRLDW-OAHLLOKOSA-N 0 3 255.365 3.206 20 30 CGEDHN CN(C)[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000442645078 330778051 /nfs/dbraw/zinc/77/80/51/330778051.db2.gz IEQAYBJIDFTIDX-HEHGZKQESA-N 0 3 291.826 3.225 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2cccs2)s1 ZINC000449521937 330933712 /nfs/dbraw/zinc/93/37/12/330933712.db2.gz UBCNCQHNUXTEHN-NEPJUHHUSA-N 0 3 292.429 3.305 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000449733803 330946603 /nfs/dbraw/zinc/94/66/03/330946603.db2.gz KGPLDHVLSDWTLJ-LBPRGKRZSA-N 0 3 276.380 3.270 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(F)c1Cl ZINC000451681150 331038879 /nfs/dbraw/zinc/03/88/79/331038879.db2.gz LQEZASYBZCWCOB-OLZOCXBDSA-N 0 3 269.747 3.302 20 30 CGEDHN C=C(C)CCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000452720132 331073556 /nfs/dbraw/zinc/07/35/56/331073556.db2.gz VWWVTGFFYCIEIN-UHFFFAOYSA-N 0 3 286.419 3.369 20 30 CGEDHN C=C(C)CCN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000453329724 331117595 /nfs/dbraw/zinc/11/75/95/331117595.db2.gz XQRVIHOSZYPXEX-ZDUSSCGKSA-N 0 3 270.380 3.193 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(F)cc(F)c1 ZINC000453332474 331117788 /nfs/dbraw/zinc/11/77/88/331117788.db2.gz CODABDHMKVKNBR-KMUNFCNLSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2c(O)cccc21 ZINC000453337035 331118657 /nfs/dbraw/zinc/11/86/57/331118657.db2.gz GFNXIGXVUCWNGM-UXLLHSPISA-N 0 3 273.376 3.093 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc2ccccc2n1 ZINC000453339822 331118883 /nfs/dbraw/zinc/11/88/83/331118883.db2.gz CUXZYIAVNPLGGW-ZFWWWQNUSA-N 0 3 270.376 3.213 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000453340815 331119083 /nfs/dbraw/zinc/11/90/83/331119083.db2.gz CMGPLMOSYGDAHD-ZNMIVQPWSA-N 0 3 291.391 3.088 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000453340813 331119123 /nfs/dbraw/zinc/11/91/23/331119123.db2.gz CMGPLMOSYGDAHD-KFWWJZLASA-N 0 3 291.391 3.088 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cc(C)ccc1OC ZINC000453354281 331121413 /nfs/dbraw/zinc/12/14/13/331121413.db2.gz KTEAGAYUZDIZIA-OAGGEKHMSA-N 0 3 275.392 3.388 20 30 CGEDHN C=CCSCCNCc1cccc(Br)c1 ZINC000163897095 331138208 /nfs/dbraw/zinc/13/82/08/331138208.db2.gz FSICGVYIPJKZQM-UHFFFAOYSA-N 0 3 286.238 3.458 20 30 CGEDHN CC(C)[C@]1(C)C[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000458108083 331243100 /nfs/dbraw/zinc/24/31/00/331243100.db2.gz DZZXGFDVLFDVPM-RYRKJORJSA-N 0 3 284.403 3.310 20 30 CGEDHN COCC1(C#N)CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000459514950 331285663 /nfs/dbraw/zinc/28/56/63/331285663.db2.gz CPPHQVAPQAHNIE-UHFFFAOYSA-N 0 3 284.403 3.316 20 30 CGEDHN COc1cccc(CNCC(C)(C)CC#N)c1OC(F)F ZINC000459699715 331295049 /nfs/dbraw/zinc/29/50/49/331295049.db2.gz RMQHJYSZUCHKRY-UHFFFAOYSA-N 0 3 298.333 3.326 20 30 CGEDHN CCOc1cc(CNCC(C)(C)CC#N)ccc1OC ZINC000459703348 331295159 /nfs/dbraw/zinc/29/51/59/331295159.db2.gz VZXFEGJKGHJFPF-UHFFFAOYSA-N 0 3 276.380 3.123 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc2ccc(Cl)cn12 ZINC000459727525 331296178 /nfs/dbraw/zinc/29/61/78/331296178.db2.gz GUWSLTBWGGBZEE-UHFFFAOYSA-N 0 3 276.771 3.017 20 30 CGEDHN CC(C)(CC#N)CNCc1c[nH]nc1-c1ccsc1 ZINC000459729840 331296450 /nfs/dbraw/zinc/29/64/50/331296450.db2.gz KXDLPTYTRZDIRP-UHFFFAOYSA-N 0 3 274.393 3.168 20 30 CGEDHN CO[C@H]1C[C@@H](NCC#Cc2cccc(Cl)c2)C12CCC2 ZINC000459768642 331299488 /nfs/dbraw/zinc/29/94/88/331299488.db2.gz QLXKGYPIFZDMNU-CVEARBPZSA-N 0 3 289.806 3.239 20 30 CGEDHN C=C[C@H](C)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462782282 331328689 /nfs/dbraw/zinc/32/86/89/331328689.db2.gz BPOIRAGMNIGUCQ-LBPRGKRZSA-N 0 3 261.365 3.306 20 30 CGEDHN C=C(CC)CN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000464565701 331362697 /nfs/dbraw/zinc/36/26/97/331362697.db2.gz AFYXYFBLNMLIPE-ZDUSSCGKSA-N 0 3 253.386 3.006 20 30 CGEDHN N#CC1(F)CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000510872505 332919431 /nfs/dbraw/zinc/91/94/31/332919431.db2.gz NROJDAFLVAIDSQ-AWEZNQCLSA-N 0 3 272.367 3.119 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cccc(Cl)c1OCC ZINC000487567795 331975175 /nfs/dbraw/zinc/97/51/75/331975175.db2.gz BHGSISOUTOMSGD-GFCCVEGCSA-N 0 3 283.799 3.013 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000489406109 332050673 /nfs/dbraw/zinc/05/06/73/332050673.db2.gz RHYZJBMEBBKRCS-IAGOWNOFSA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1 ZINC000489440434 332052746 /nfs/dbraw/zinc/05/27/46/332052746.db2.gz PELXOSJCAFTASK-OAHLLOKOSA-N 0 3 258.365 3.056 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1c(C)cccc1C ZINC000489488073 332055584 /nfs/dbraw/zinc/05/55/84/332055584.db2.gz VYZAJRSTVNVRQX-IRXDYDNUSA-N 0 3 289.419 3.084 20 30 CGEDHN CC#CCCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490052149 332078766 /nfs/dbraw/zinc/07/87/66/332078766.db2.gz YNGRCRUHJIXJHN-HNNXBMFYSA-N 0 3 265.784 3.373 20 30 CGEDHN Cc1ccc([C@@H]2C[C@H](C)N(CC3(C#N)CC3)C2)cc1 ZINC000490073659 332080134 /nfs/dbraw/zinc/08/01/34/332080134.db2.gz RCBZGRMSYGKTDX-GOEBONIOSA-N 0 3 254.377 3.477 20 30 CGEDHN C#CCN(CC1CCC(=O)CC1)[C@@H]1CCc2ccccc21 ZINC000491294294 332183028 /nfs/dbraw/zinc/18/30/28/332183028.db2.gz AUWKVHIAXXUTAC-LJQANCHMSA-N 0 3 281.399 3.368 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(-c2cccnc2)c1 ZINC000491427012 332209439 /nfs/dbraw/zinc/20/94/39/332209439.db2.gz ILKIZHROMDPGEN-CQSZACIVSA-N 0 3 250.345 3.202 20 30 CGEDHN C#CCN(CCc1cscn1)[C@H]1CCc2ccccc21 ZINC000491713781 332304514 /nfs/dbraw/zinc/30/45/14/332304514.db2.gz DLISIXLLPMCOHD-KRWDZBQOSA-N 0 3 282.412 3.308 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)/C=C/C2CCCCC2)CC1 ZINC000491862211 332372700 /nfs/dbraw/zinc/37/27/00/332372700.db2.gz WKSXEBAGZLWCRH-CMDGGOBGSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC(C)(C)C)C(C)C ZINC000514073639 333064522 /nfs/dbraw/zinc/06/45/22/333064522.db2.gz ANADFVOYYFJYMW-OAHLLOKOSA-N 0 3 295.471 3.030 20 30 CGEDHN C=CCC[C@@H](NCCOC[C@@H]1CCCO1)c1ccco1 ZINC000520937406 333107813 /nfs/dbraw/zinc/10/78/13/333107813.db2.gz PXCGPHJWKDGBFD-LSDHHAIUSA-N 0 3 279.380 3.072 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccccc1 ZINC000192076797 333229181 /nfs/dbraw/zinc/22/91/81/333229181.db2.gz LHPNYKWQOJDSRW-MRXNPFEDSA-N 0 3 279.383 3.307 20 30 CGEDHN C=C(C)COCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000194113920 333265822 /nfs/dbraw/zinc/26/58/22/333265822.db2.gz BBCFKMMGKIYEGD-OAHLLOKOSA-N 0 3 283.799 3.210 20 30 CGEDHN C[C@H]1CC[C@H](N(CC#Cc2cccc(Cl)c2)CCO)C1 ZINC000572529510 333383908 /nfs/dbraw/zinc/38/39/08/333383908.db2.gz WIOFCTRZMFJQOD-YOEHRIQHSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2cc(C)ccn2)CC1 ZINC000538148196 333576619 /nfs/dbraw/zinc/57/66/19/333576619.db2.gz RPNSIAMBAMFUPZ-INIZCTEOSA-N 0 3 273.424 3.257 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000538332516 333585500 /nfs/dbraw/zinc/58/55/00/333585500.db2.gz GCPFPUMZFAFYOT-JKSUJKDBSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCCCCN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000576105952 335155032 /nfs/dbraw/zinc/15/50/32/335155032.db2.gz LCABYTSONDQZIR-UHFFFAOYSA-N 0 3 278.440 3.210 20 30 CGEDHN C[C@H](CNCc1cccc(C#N)c1)Oc1ccccc1F ZINC000174602448 335159999 /nfs/dbraw/zinc/15/99/99/335159999.db2.gz MPZNTLIXRICNJA-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000174603220 335160267 /nfs/dbraw/zinc/16/02/67/335160267.db2.gz INZFQYYUBPFQFC-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(Br)c(C)c1 ZINC000130453431 333843081 /nfs/dbraw/zinc/84/30/81/333843081.db2.gz UYXFEBCONYMMKF-SNVBAGLBSA-N 0 3 254.171 3.422 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133862906 334065493 /nfs/dbraw/zinc/06/54/93/334065493.db2.gz ACBONTGNUQBYHG-QZTJIDSGSA-N 0 3 298.430 3.113 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)[C@@H](CO)C(C)(C)C ZINC000135215187 334119858 /nfs/dbraw/zinc/11/98/58/334119858.db2.gz RIDVQEPFDFJMEJ-HNNXBMFYSA-N 0 3 279.811 3.030 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000549831484 334206107 /nfs/dbraw/zinc/20/61/07/334206107.db2.gz YKOLWSXQMFRFPU-UMVBOHGHSA-N 0 3 298.365 3.354 20 30 CGEDHN N#CCCC[C@@H]([NH2+]Cc1ncccc1[O-])c1ccccc1 ZINC000552313192 334315701 /nfs/dbraw/zinc/31/57/01/334315701.db2.gz UJKFFWGVAWJSME-OAHLLOKOSA-N 0 3 281.359 3.312 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N(CC)C[C@@H](CC)c1ccccc1 ZINC000249481834 334334607 /nfs/dbraw/zinc/33/46/07/334334607.db2.gz XBNUKKOZEINMTB-HZPDHXFCSA-N 0 3 288.435 3.193 20 30 CGEDHN N#CCc1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000343530576 335207072 /nfs/dbraw/zinc/20/70/72/335207072.db2.gz BWPIMTRNGHUZKI-UHFFFAOYSA-N 0 3 264.319 3.230 20 30 CGEDHN C[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581728962 336138799 /nfs/dbraw/zinc/13/87/99/336138799.db2.gz CMDOYZUECMULKU-SMDDNHRTSA-N 0 3 273.336 3.087 20 30 CGEDHN Cc1cn[nH]c1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000356093680 533988872 /nfs/dbraw/zinc/98/88/72/533988872.db2.gz VMQHXNPXZYLRPR-UHFFFAOYSA-N 0 3 282.391 3.248 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000354553504 534284619 /nfs/dbraw/zinc/28/46/19/534284619.db2.gz XFMJYYBLWYUBHA-CHWSQXEVSA-N 0 3 279.343 3.085 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000334672829 534284829 /nfs/dbraw/zinc/28/48/29/534284829.db2.gz MPVZGAKITKRFGW-RNFRBKRXSA-N 0 3 289.137 3.469 20 30 CGEDHN Cc1noc(C)c1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358566679 534348196 /nfs/dbraw/zinc/34/81/96/534348196.db2.gz BLCUSDYZQHKXOA-JTQLQIEISA-N 0 3 287.338 3.196 20 30 CGEDHN N#CCCCNCc1ccc(-n2cnc3ccccc32)cc1 ZINC000344369172 534613846 /nfs/dbraw/zinc/61/38/46/534613846.db2.gz WKIZLCZSVOTXNG-UHFFFAOYSA-N 0 3 290.370 3.419 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000335286589 534755176 /nfs/dbraw/zinc/75/51/76/534755176.db2.gz WVVPUYGMFSAKEI-GXSJLCMTSA-N 0 3 252.720 3.261 20 30 CGEDHN N#Cc1csc(CNCC[C@H]2CCc3ccccc32)n1 ZINC000449374315 534830099 /nfs/dbraw/zinc/83/00/99/534830099.db2.gz FIZOHERSIBOPMO-CYBMUJFWSA-N 0 3 283.400 3.224 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC000347937255 526442961 /nfs/dbraw/zinc/44/29/61/526442961.db2.gz JKNUNJWVDYCAJL-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C)c2C)CC1 ZINC000106037933 526600103 /nfs/dbraw/zinc/60/01/03/526600103.db2.gz IOBMQHBUXXOSIH-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCOCCCN(C)Cc1ccc(OC(F)F)cc1 ZINC000347973515 526748517 /nfs/dbraw/zinc/74/85/17/526748517.db2.gz RPXLGTQCAJNGIQ-UHFFFAOYSA-N 0 3 285.334 3.313 20 30 CGEDHN C=CCOCCCN(C)Cc1cc(OC)c(OC)cc1C ZINC000347967644 526748553 /nfs/dbraw/zinc/74/85/53/526748553.db2.gz PXQYGXRNAWJWBH-UHFFFAOYSA-N 0 3 293.407 3.037 20 30 CGEDHN C=CCOc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000352854264 526865981 /nfs/dbraw/zinc/86/59/81/526865981.db2.gz RWANFASXNQOCII-UHFFFAOYSA-N 0 3 297.402 3.354 20 30 CGEDHN CC(C)(CCC#N)CNCc1nccn1Cc1ccccc1 ZINC000344769263 526999308 /nfs/dbraw/zinc/99/93/08/526999308.db2.gz UUXULSOVEOUGNF-UHFFFAOYSA-N 0 3 296.418 3.351 20 30 CGEDHN C#CCOc1ccc(CNCc2cccc(COC)c2)cc1 ZINC000113322731 527104773 /nfs/dbraw/zinc/10/47/73/527104773.db2.gz QETUDNMKOLRQAZ-UHFFFAOYSA-N 0 3 295.382 3.135 20 30 CGEDHN C=CCCCN[C@H](CCC)c1nnc2ccccn21 ZINC000347628578 527236009 /nfs/dbraw/zinc/23/60/09/527236009.db2.gz ZLRPLLWOMYKPRW-CYBMUJFWSA-N 0 3 258.369 3.126 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000353579836 527442482 /nfs/dbraw/zinc/44/24/82/527442482.db2.gz VODVOKSVJOMAIS-CABZTGNLSA-N 0 3 294.445 3.378 20 30 CGEDHN CC(C)(C#N)CCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000347248651 527466900 /nfs/dbraw/zinc/46/69/00/527466900.db2.gz LVNATRIWEMXLMI-UHFFFAOYSA-N 0 3 288.395 3.066 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@@H]1CCc2ccccc21 ZINC000347045594 527771476 /nfs/dbraw/zinc/77/14/76/527771476.db2.gz ZWMFUYCUYJPMMB-SWLSCSKDSA-N 0 3 256.349 3.072 20 30 CGEDHN CCCCOCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425530114 528588858 /nfs/dbraw/zinc/58/88/58/528588858.db2.gz DQEJNINVVGLPNE-CQSZACIVSA-N 0 3 260.381 3.368 20 30 CGEDHN CCCC[C@H](NC(=O)C(C)C#N)c1ccc(OC)cc1 ZINC000347132807 528980125 /nfs/dbraw/zinc/98/01/25/528980125.db2.gz KCXDUUPUUIHUMW-WFASDCNBSA-N 0 3 274.364 3.202 20 30 CGEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)[C@H]1[C@H]1CCCO1 ZINC000351968538 529124231 /nfs/dbraw/zinc/12/42/31/529124231.db2.gz QZLWBVPKJSHDFY-SJORKVTESA-N 0 3 284.403 3.142 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)CCc1n[nH]c2ccccc21 ZINC000344681169 529301154 /nfs/dbraw/zinc/30/11/54/529301154.db2.gz AEXMBGWUPAWEDJ-CHWSQXEVSA-N 0 3 270.380 3.166 20 30 CGEDHN CC[C@H](CNc1nc(C)c(C#N)cc1Cl)N1CCCC1 ZINC000359880104 529373338 /nfs/dbraw/zinc/37/33/38/529373338.db2.gz POEABFFDLHWQBY-CYBMUJFWSA-N 0 3 292.814 3.201 20 30 CGEDHN CC[C@H]1CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000727823740 571771584 /nfs/dbraw/zinc/77/15/84/571771584.db2.gz CEBFVWKJGLWHNF-INIZCTEOSA-N 0 3 280.375 3.254 20 30 CGEDHN CN(Cc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000729266687 571893710 /nfs/dbraw/zinc/89/37/10/571893710.db2.gz AOLXDHGQHNFINA-UHFFFAOYSA-N 0 3 284.334 3.360 20 30 CGEDHN CSCCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417397 572351734 /nfs/dbraw/zinc/35/17/34/572351734.db2.gz NIIHGLBNJRFWCX-VIFPVBQESA-N 0 3 294.376 3.365 20 30 CGEDHN COc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1O ZINC000743496943 572400936 /nfs/dbraw/zinc/40/09/36/572400936.db2.gz UNFBTISXOQZMBP-LBPRGKRZSA-N 0 3 282.343 3.123 20 30 CGEDHN C#CCSCCNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000740018452 572428506 /nfs/dbraw/zinc/42/85/06/572428506.db2.gz RZWQHXZALYYOQT-UHFFFAOYSA-N 0 3 289.444 3.246 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000733325694 572556606 /nfs/dbraw/zinc/55/66/06/572556606.db2.gz QEHPQFJIZKVRGH-UHFFFAOYSA-N 0 3 287.309 3.267 20 30 CGEDHN C=CCCCN1CCN(Cc2cccc3cccnc32)CC1 ZINC000735491091 572726383 /nfs/dbraw/zinc/72/63/83/572726383.db2.gz DEZUCLACJYFYPD-UHFFFAOYSA-N 0 3 295.430 3.319 20 30 CGEDHN CCCCCCN(C)CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000735658413 572737074 /nfs/dbraw/zinc/73/70/74/572737074.db2.gz ATCAOSOCNNOEKB-RDJZCZTQSA-N 0 3 293.455 3.087 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000736675285 572804866 /nfs/dbraw/zinc/80/48/66/572804866.db2.gz ZGRXCJARTMRLDN-ZJUUUORDSA-N 0 3 258.346 3.238 20 30 CGEDHN C#CCN(CC)[C@H](C)c1cccc(Br)c1 ZINC000746145198 572857185 /nfs/dbraw/zinc/85/71/85/572857185.db2.gz RIUBAXODXDPVIH-LLVKDONJSA-N 0 3 266.182 3.465 20 30 CGEDHN C#CCOc1ccccc1CNc1cc(C)cc(C)n1 ZINC000746747237 572893947 /nfs/dbraw/zinc/89/39/47/572893947.db2.gz FXXSXLZLMFFPDB-UHFFFAOYSA-N 0 3 266.344 3.323 20 30 CGEDHN C[C@@H](COc1ccccc1)NCc1cc(C#N)cs1 ZINC000748099055 572959960 /nfs/dbraw/zinc/95/99/60/572959960.db2.gz CFXBSNBTPHJRQQ-LBPRGKRZSA-N 0 3 272.373 3.177 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000980965940 613251497 /nfs/dbraw/zinc/25/14/97/613251497.db2.gz BJOGHQTXHVEGLI-UHFFFAOYSA-N 0 3 294.414 3.285 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2sccc2C)CC1 ZINC000980630613 613256399 /nfs/dbraw/zinc/25/63/99/613256399.db2.gz XIKWHQRMEMCEDE-UHFFFAOYSA-N 0 3 292.448 3.171 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2C(C)C)C[C@H]1C ZINC000947369463 613270686 /nfs/dbraw/zinc/27/06/86/613270686.db2.gz MNJDQFAUJFJCBN-CVEARBPZSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967491872 613332014 /nfs/dbraw/zinc/33/20/14/613332014.db2.gz AVYFKZQPJOMTQP-HOCLYGCPSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964777698 613334184 /nfs/dbraw/zinc/33/41/84/613334184.db2.gz XEUAHYFNUOUSHO-DOTOQJQBSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977321792 613338925 /nfs/dbraw/zinc/33/89/25/613338925.db2.gz SRBROCSQZHBJCP-CQSZACIVSA-N 0 3 292.448 3.073 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974618154 613341985 /nfs/dbraw/zinc/34/19/85/613341985.db2.gz CVILOGYDJXVLKY-YJBOKZPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2coc3c2cccc3C)C1 ZINC000971689530 613640133 /nfs/dbraw/zinc/64/01/33/613640133.db2.gz KJNXMXWXNWARAH-AWEZNQCLSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC000982130140 613681410 /nfs/dbraw/zinc/68/14/10/613681410.db2.gz CYWLWRXFJAPRBG-UHFFFAOYSA-N 0 3 298.430 3.027 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cscc1C ZINC000968804610 613685518 /nfs/dbraw/zinc/68/55/18/613685518.db2.gz ZHTWRDQPPRTRDK-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000941002110 613740234 /nfs/dbraw/zinc/74/02/34/613740234.db2.gz FBVOSLPXCXYGLT-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000940918780 613740616 /nfs/dbraw/zinc/74/06/16/613740616.db2.gz UYPKLIMUNFOTQR-OAHLLOKOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000941185984 613789658 /nfs/dbraw/zinc/78/96/58/613789658.db2.gz YNINWYRANOHCOM-INIZCTEOSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(Br)CN[C@@H]1CS[C@H](C(C)C)C1 ZINC000308141325 618182878 /nfs/dbraw/zinc/18/28/78/618182878.db2.gz ISKXKYJKROXOKE-UWVGGRQHSA-N 0 3 264.232 3.015 20 30 CGEDHN C#CCN(Cc1cn(C)nc1C1CC1)C1CCCCC1 ZINC000891825037 618318531 /nfs/dbraw/zinc/31/85/31/618318531.db2.gz XIHPPUYXQXBPNS-UHFFFAOYSA-N 0 3 271.408 3.065 20 30 CGEDHN CN(CCc1cccc(F)c1)Cc1cc(C#N)cs1 ZINC000933769791 618321246 /nfs/dbraw/zinc/32/12/46/618321246.db2.gz FVHHZONKNSBJEN-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN COC1CCC(CN(CCC#N)CCC(C)C)CC1 ZINC000891937888 618394817 /nfs/dbraw/zinc/39/48/17/618394817.db2.gz SREJCCRDXIOQDY-UHFFFAOYSA-N 0 3 266.429 3.453 20 30 CGEDHN C=C(Br)CN[C@@H]1CCc2ccccc2C1 ZINC000051631728 618616519 /nfs/dbraw/zinc/61/65/19/618616519.db2.gz QOONOHIKECLJPB-CYBMUJFWSA-N 0 3 266.182 3.042 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926544715 618732684 /nfs/dbraw/zinc/73/26/84/618732684.db2.gz DPUHEHZMXMRRJB-ZFWWWQNUSA-N 0 3 286.375 3.319 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(Br)c(Cl)c1 ZINC000235208223 618742808 /nfs/dbraw/zinc/74/28/08/618742808.db2.gz JYKLKTNQRAJRGI-MRVPVSSYSA-N 0 3 272.573 3.214 20 30 CGEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000892496101 618812100 /nfs/dbraw/zinc/81/21/00/618812100.db2.gz VYNPZDFIJOSFNJ-CQSZACIVSA-N 0 3 284.359 3.245 20 30 CGEDHN CCCCCCCCCC(=O)N1CCCN(C)CC1 ZINC000163064460 618885014 /nfs/dbraw/zinc/88/50/14/618885014.db2.gz QSTPNYNOKAMWCV-UHFFFAOYSA-N 0 3 268.445 3.291 20 30 CGEDHN C#CCOc1ccccc1CNCCOCc1ccccc1 ZINC000080244530 618885696 /nfs/dbraw/zinc/88/56/96/618885696.db2.gz GMYQWJKHWDNARF-UHFFFAOYSA-N 0 3 295.382 3.005 20 30 CGEDHN C=C(CNCc1cn(CC)nc1C)c1ccccc1 ZINC000892711011 618918736 /nfs/dbraw/zinc/91/87/36/618918736.db2.gz GXEFXQVCNYKKGJ-UHFFFAOYSA-N 0 3 255.365 3.014 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000775573726 619077788 /nfs/dbraw/zinc/07/77/88/619077788.db2.gz JJGAJHSKSUSTTJ-BHYGNILZSA-N 0 3 257.377 3.135 20 30 CGEDHN C#C[C@H](N[C@H](C)c1ccc(CC)s1)[C@H]1CCCO1 ZINC000775575000 619078315 /nfs/dbraw/zinc/07/83/15/619078315.db2.gz UGMBMUGQCCPLLY-KWCYVHTRSA-N 0 3 263.406 3.142 20 30 CGEDHN CSC[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000067001874 619272232 /nfs/dbraw/zinc/27/22/32/619272232.db2.gz OKGLUPWYYBXBNY-ZJUUUORDSA-N 0 3 274.345 3.003 20 30 CGEDHN C=CCC1(CNCc2nnc(CC)s2)CCCC1 ZINC000894754043 619623156 /nfs/dbraw/zinc/62/31/56/619623156.db2.gz PGPJNEWHRGBIAY-UHFFFAOYSA-N 0 3 265.426 3.327 20 30 CGEDHN C[C@H](NN=Cc1ccc(N2CCCC2)nc1)C(C)(C)C ZINC000793113451 619679089 /nfs/dbraw/zinc/67/90/89/619679089.db2.gz AILZDONBDFXWDG-ZDUSSCGKSA-N 0 3 274.412 3.040 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](CC#N)C2)c(C)c1 ZINC000895314408 619804178 /nfs/dbraw/zinc/80/41/78/619804178.db2.gz VNIIHCDSOGMQHH-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN C#CCOc1ccccc1CN1CC[C@@H](c2nccs2)C1 ZINC000895583137 619853856 /nfs/dbraw/zinc/85/38/56/619853856.db2.gz KXQCSHGMHNUWNI-OAHLLOKOSA-N 0 3 298.411 3.145 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@@]1(c2ccccc2)CCCO1 ZINC000897233371 620166441 /nfs/dbraw/zinc/16/64/41/620166441.db2.gz OCBFGQMZNFEYIE-HXUWFJFHSA-N 0 3 291.394 3.334 20 30 CGEDHN C[C@H](CCC#N)CN1CC(c2nc(-c3ccccc3)no2)C1 ZINC000897320024 620202055 /nfs/dbraw/zinc/20/20/55/620202055.db2.gz HHYFLUCXVRFKRH-CYBMUJFWSA-N 0 3 296.374 3.076 20 30 CGEDHN CC1(C)C[C@@H](NCc2cc(C#N)cnc2Cl)CCS1 ZINC000897794429 620433010 /nfs/dbraw/zinc/43/30/10/620433010.db2.gz VEOPGBXALWFFHF-LBPRGKRZSA-N 0 3 295.839 3.370 20 30 CGEDHN CC(C)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000927071752 620570465 /nfs/dbraw/zinc/57/04/65/620570465.db2.gz UKYGARLSLJMYMB-SUMWQHHRSA-N 0 3 282.391 3.340 20 30 CGEDHN C[C@@H]1C[C@@H](NN=C2CCCNc3ccccc32)C[C@H](C)O1 ZINC000901308551 620852897 /nfs/dbraw/zinc/85/28/97/620852897.db2.gz UTYCSTFMBZWLGM-BTTYYORXSA-N 0 3 287.407 3.142 20 30 CGEDHN CC[C@H](N[C@@H]1CCCc2c1cnn2C)c1cccc(C#N)c1 ZINC000902742706 621422220 /nfs/dbraw/zinc/42/22/20/621422220.db2.gz WCYRVCBJSZEJHO-DLBZAZTESA-N 0 3 294.402 3.410 20 30 CGEDHN CC[C@H](N[C@H](C)c1cn(C)nc1C)c1cccc(C#N)c1 ZINC000902789698 621447425 /nfs/dbraw/zinc/44/74/25/621447425.db2.gz IYSIFDKIWMEDIO-PXAZEXFGSA-N 0 3 282.391 3.402 20 30 CGEDHN CC[C@H](NCc1cccc(CO)c1)c1cccc(C#N)c1 ZINC000902794001 621449741 /nfs/dbraw/zinc/44/97/41/621449741.db2.gz QJDLAAOQWABABE-SFHVURJKSA-N 0 3 280.371 3.291 20 30 CGEDHN CC[C@@H](N[C@H](C)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000902816830 621463674 /nfs/dbraw/zinc/46/36/74/621463674.db2.gz RUAJKMXZUQQUQT-MLGOLLRUSA-N 0 3 268.364 3.094 20 30 CGEDHN C[C@H](C[C@@H](O)c1ccccc1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902848607 621471379 /nfs/dbraw/zinc/47/13/79/621471379.db2.gz UDYHZKBIRONOOY-HBUWYVDXSA-N 0 3 295.386 3.116 20 30 CGEDHN COC1([C@H](C)NCC2(C#N)CCC2)CCCCC1 ZINC000903036021 621537416 /nfs/dbraw/zinc/53/74/16/621537416.db2.gz ZNNZQUGLSWQSSQ-ZDUSSCGKSA-N 0 3 250.386 3.008 20 30 CGEDHN Cc1ccc([C@@H](C)NCC2(C#N)CCCC2)c(O)c1 ZINC000903109507 621582632 /nfs/dbraw/zinc/58/26/32/621582632.db2.gz QJRNAHOPMYXMDI-CYBMUJFWSA-N 0 3 258.365 3.435 20 30 CGEDHN Cc1cc(C)c(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905081833 622033159 /nfs/dbraw/zinc/03/31/59/622033159.db2.gz TWDDLEGBHVITID-OBTCNRAFSA-N 0 3 267.332 3.044 20 30 CGEDHN CC(C)c1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905084625 622033717 /nfs/dbraw/zinc/03/37/17/622033717.db2.gz JJHDPFLZQJFAOR-GYBQTFJISA-N 0 3 267.332 3.242 20 30 CGEDHN CC1/C(=C/c2cccc(OC(C)(C)C)c2)C(=O)c2ncnn21 ZINC000905085007 622033880 /nfs/dbraw/zinc/03/38/80/622033880.db2.gz LCFXMGDEGZYYLT-RLIURORJSA-N 0 3 297.358 3.296 20 30 CGEDHN C=CCC1(O)CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906594939 622256803 /nfs/dbraw/zinc/25/68/03/622256803.db2.gz FTIILMJZBBJLIK-HOTGVXAUSA-N 0 3 275.367 3.085 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccsc2C#N)c1 ZINC000907146384 622285138 /nfs/dbraw/zinc/28/51/38/622285138.db2.gz KPTMYZQRLBGYJN-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)cc1Cl ZINC000911927500 622565741 /nfs/dbraw/zinc/56/57/41/622565741.db2.gz NJUDITCZBXXQFL-GFCCVEGCSA-N 0 3 266.772 3.271 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000912017656 622589029 /nfs/dbraw/zinc/58/90/29/622589029.db2.gz YBIMDONQEBQQQW-CQSZACIVSA-N 0 3 298.789 3.121 20 30 CGEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000173963737 623350620 /nfs/dbraw/zinc/35/06/20/623350620.db2.gz KTXSCBKTWXAKJN-GXTWGEPZSA-N 0 3 272.348 3.079 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC3(CCCC3)C2)c1 ZINC000174267125 623375803 /nfs/dbraw/zinc/37/58/03/623375803.db2.gz ROFZWITVHMMBBB-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccccc3CC)CCC[C@@H]12 ZINC000992159884 623454474 /nfs/dbraw/zinc/45/44/74/623454474.db2.gz MSQNEDDHLYOOCT-IEBWSBKVSA-N 0 3 298.430 3.162 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC2CCC1CC2)c1ccccn1 ZINC000311803735 623466161 /nfs/dbraw/zinc/46/61/61/623466161.db2.gz BWNWGRSQGHHQNZ-NWINJMCUSA-N 0 3 254.333 3.084 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993186349 623909550 /nfs/dbraw/zinc/90/95/50/623909550.db2.gz PJGDXMBCRRIDPD-KBPBESRZSA-N 0 3 292.467 3.214 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993288528 623998876 /nfs/dbraw/zinc/99/88/76/623998876.db2.gz ZBRZWZLHYWOHCR-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993748092 624060504 /nfs/dbraw/zinc/06/05/04/624060504.db2.gz SXXBJHVPQNPAKD-ZBFHGGJFSA-N 0 3 292.467 3.358 20 30 CGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C1CCC1 ZINC000916898900 624221061 /nfs/dbraw/zinc/22/10/61/624221061.db2.gz GADGSWXJZJTNID-HNNXBMFYSA-N 0 3 298.386 3.259 20 30 CGEDHN N#CCCCN1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000916977057 624224827 /nfs/dbraw/zinc/22/48/27/624224827.db2.gz HYJKSZXHUCNETP-CQSZACIVSA-N 0 3 278.783 3.487 20 30 CGEDHN C#CCOc1ccccc1CNCCOc1cccc(C)c1 ZINC000237713894 624677900 /nfs/dbraw/zinc/67/79/00/624677900.db2.gz BOIIKSKTYFHERW-UHFFFAOYSA-N 0 3 295.382 3.176 20 30 CGEDHN C#CCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183158608 625049162 /nfs/dbraw/zinc/04/91/62/625049162.db2.gz PGEZISHEFFIVEA-UHFFFAOYSA-N 0 3 295.382 3.474 20 30 CGEDHN C=CCN1CC=C(CNC(=O)c2ccccc2CCC)CC1 ZINC001000937063 625883999 /nfs/dbraw/zinc/88/39/99/625883999.db2.gz VQOZVRGPLMFPGF-UHFFFAOYSA-N 0 3 298.430 3.187 20 30 CGEDHN CC1(CNCc2cc(C#N)ccc2Br)CC1 ZINC000921813239 625885512 /nfs/dbraw/zinc/88/55/12/625885512.db2.gz DEQOWGIXAJLGKU-UHFFFAOYSA-N 0 3 279.181 3.210 20 30 CGEDHN CS[C@@H](C)CNCc1cc(C#N)ccc1Br ZINC000921926060 625931593 /nfs/dbraw/zinc/93/15/93/625931593.db2.gz VZUPOZDSQZBYQC-VIFPVBQESA-N 0 3 299.237 3.162 20 30 CGEDHN CCO[C@@H](CNCc1csc(C#N)c1)c1ccccc1 ZINC000922067092 625968947 /nfs/dbraw/zinc/96/89/47/625968947.db2.gz BMFYCBAKCZFYPT-INIZCTEOSA-N 0 3 286.400 3.487 20 30 CGEDHN N#Cc1cc(CNC[C@H]2CCC3(CCCC3)O2)cs1 ZINC000922226738 625986923 /nfs/dbraw/zinc/98/69/23/625986923.db2.gz NFRZSUYAFHBDRQ-CYBMUJFWSA-N 0 3 276.405 3.201 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cc(C3CC3)n(C)n2)C1 ZINC000922955877 626107891 /nfs/dbraw/zinc/10/78/91/626107891.db2.gz PGRMLNKWIRXKMO-TZMCWYRMSA-N 0 3 259.397 3.132 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1cnn(-c2ccccc2)c1 ZINC000840785519 626174817 /nfs/dbraw/zinc/17/48/17/626174817.db2.gz HVPYXBVDECVVQO-AWEZNQCLSA-N 0 3 282.391 3.463 20 30 CGEDHN Cc1cc(F)ccc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000750938375 626369887 /nfs/dbraw/zinc/36/98/87/626369887.db2.gz GRTQSBYAUGRYNG-NSHDSACASA-N 0 3 261.344 3.016 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CCOC1)c1ccc2ccccc2n1 ZINC000751825894 626406253 /nfs/dbraw/zinc/40/62/53/626406253.db2.gz MCVATRSRSQVLGE-UKRRQHHQSA-N 0 3 294.354 3.228 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000809616147 626444689 /nfs/dbraw/zinc/44/46/89/626444689.db2.gz KPKOJRWUKBKMLO-CYBMUJFWSA-N 0 3 251.329 3.224 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCCCO1)c1ccc2ccccc2n1 ZINC000756225454 626685376 /nfs/dbraw/zinc/68/53/76/626685376.db2.gz KPERZBIDNSGGJX-CABCVRRESA-N 0 3 294.354 3.370 20 30 CGEDHN C#CCCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756755672 626729072 /nfs/dbraw/zinc/72/90/72/626729072.db2.gz CJWZVJSRFZKHIO-WCQYABFASA-N 0 3 261.340 3.473 20 30 CGEDHN C#C[C@@H](CCC)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000839735101 626778931 /nfs/dbraw/zinc/77/89/31/626778931.db2.gz XVUCQMSQYSMFFN-SFHVURJKSA-N 0 3 298.430 3.204 20 30 CGEDHN Clc1ccccc1[C@H]1CCCC1=Nn1cnnc1 ZINC000758069910 626825754 /nfs/dbraw/zinc/82/57/54/626825754.db2.gz OHGOCIMQJDBHBB-LLVKDONJSA-N 0 3 260.728 3.103 20 30 CGEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1 ZINC000760444012 626970466 /nfs/dbraw/zinc/97/04/66/626970466.db2.gz BPCXKBWRNVPZOL-AWEZNQCLSA-N 0 3 268.360 3.268 20 30 CGEDHN C#C[C@H](C)[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000766665477 627351693 /nfs/dbraw/zinc/35/16/93/627351693.db2.gz HCWGIPAQCAEEFG-LBPRGKRZSA-N 0 3 269.344 3.008 20 30 CGEDHN C#C[C@H](C)[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000766665477 627351696 /nfs/dbraw/zinc/35/16/96/627351696.db2.gz HCWGIPAQCAEEFG-LBPRGKRZSA-N 0 3 269.344 3.008 20 30 CGEDHN C=CCN(Cc1cc2c(cc1OC)C[C@@H](C)O2)C(C)C ZINC000768546748 627486044 /nfs/dbraw/zinc/48/60/44/627486044.db2.gz DUWJAYKZZCAIGF-CYBMUJFWSA-N 0 3 275.392 3.415 20 30 CGEDHN CCOCCON=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000774430209 627988649 /nfs/dbraw/zinc/98/86/49/627988649.db2.gz AQBVMZCPTHCECZ-KRHMZKEVSA-N 0 3 288.391 3.337 20 30 CGEDHN C#CC[C@H](NCc1ccc2c(c1)ncn2C)c1ccccc1 ZINC000774820117 628034926 /nfs/dbraw/zinc/03/49/26/628034926.db2.gz QJMUQNOZDXZPAY-KRWDZBQOSA-N 0 3 289.382 3.428 20 30 CGEDHN C[C@@H](NCc1cccc2nsnc21)c1ccc(C#N)cc1 ZINC000775160159 628068063 /nfs/dbraw/zinc/06/80/63/628068063.db2.gz YBFWNKQKVLINOV-LLVKDONJSA-N 0 3 294.383 3.414 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)CCCCC1 ZINC000874826436 634627849 /nfs/dbraw/zinc/62/78/49/634627849.db2.gz OBSCJMGYFGNARJ-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C#CC[C@@H](NCc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000775401602 628091858 /nfs/dbraw/zinc/09/18/58/628091858.db2.gz WIQYPASAXFFPSB-GOSISDBHSA-N 0 3 293.366 3.327 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cccc(C)c1C)[C@@H]1CCCO1 ZINC000775571575 628107993 /nfs/dbraw/zinc/10/79/93/628107993.db2.gz IKRFQJAUEHHPQY-XIRDDKMYSA-N 0 3 257.377 3.135 20 30 CGEDHN C#C[C@H](N[C@@H](CCC)c1ccc(OC)cc1)[C@H]1CCCO1 ZINC000775571312 628108204 /nfs/dbraw/zinc/10/82/04/628108204.db2.gz FCNHIZQXSBXBTL-OKZBNKHCSA-N 0 3 287.403 3.307 20 30 CGEDHN Cc1noc(C)c1[C@H](C)NCCCOc1ccc(C#N)cc1 ZINC000775618085 628114120 /nfs/dbraw/zinc/11/41/20/628114120.db2.gz WACWEQRSGXTDKL-LBPRGKRZSA-N 0 3 299.374 3.283 20 30 CGEDHN C#C[C@@H](NCCSc1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000775793660 628137287 /nfs/dbraw/zinc/13/72/87/628137287.db2.gz WPFKJFVLIZRWKJ-SJORKVTESA-N 0 3 289.444 3.166 20 30 CGEDHN CCCCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000775995703 628156735 /nfs/dbraw/zinc/15/67/35/628156735.db2.gz AMQMYLUKQBPFJU-UHFFFAOYSA-N 0 3 285.435 3.256 20 30 CGEDHN CC(C)[C@@H](NCc1ccccc1C#N)[C@H](O)c1ccccc1 ZINC000788536188 629062966 /nfs/dbraw/zinc/06/29/66/629062966.db2.gz FQFMUDVBTWQIGX-RTBURBONSA-N 0 3 294.398 3.406 20 30 CGEDHN CC[C@@H](C)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000790182577 629189980 /nfs/dbraw/zinc/18/99/80/629189980.db2.gz DUKARZQEBUJHNB-UKRRQHHQSA-N 0 3 251.418 3.159 20 30 CGEDHN C=C[C@@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805923530 629210625 /nfs/dbraw/zinc/21/06/25/629210625.db2.gz JXXJDLMDLCJIPB-OAHLLOKOSA-N 0 3 287.403 3.406 20 30 CGEDHN C=C[C@@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805924006 629211453 /nfs/dbraw/zinc/21/14/53/629211453.db2.gz TUVDHEQZMWRTNV-CQSZACIVSA-N 0 3 273.376 3.016 20 30 CGEDHN Cc1c(F)nccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000862351085 629346021 /nfs/dbraw/zinc/34/60/21/629346021.db2.gz GENBLHAADRLMRE-INIZCTEOSA-N 0 3 281.334 3.178 20 30 CGEDHN C=CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862441223 629374692 /nfs/dbraw/zinc/37/46/92/629374692.db2.gz PSVHHEKYLCGSKI-LLVKDONJSA-N 0 3 281.783 3.452 20 30 CGEDHN C=CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862441223 629374700 /nfs/dbraw/zinc/37/47/00/629374700.db2.gz PSVHHEKYLCGSKI-LLVKDONJSA-N 0 3 281.783 3.452 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000862445599 629379553 /nfs/dbraw/zinc/37/95/53/629379553.db2.gz XUDVLIXUFVBDPE-NSHDSACASA-N 0 3 283.293 3.272 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000862445598 629380015 /nfs/dbraw/zinc/38/00/15/629380015.db2.gz XUDVLIXUFVBDPE-LLVKDONJSA-N 0 3 283.293 3.272 20 30 CGEDHN C=C(Cl)CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792897399 629391541 /nfs/dbraw/zinc/39/15/41/629391541.db2.gz AWJPMBFYODUGMD-BDAKNGLRSA-N 0 3 254.588 3.255 20 30 CGEDHN Cc1cc(NN=C(CC(C)C)c2ccccn2)ccn1 ZINC000863159159 629484896 /nfs/dbraw/zinc/48/48/96/629484896.db2.gz FZMYYNJHNFDFPW-UHFFFAOYSA-N 0 3 268.364 3.069 20 30 CGEDHN C=C(C)COCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794814696 629581536 /nfs/dbraw/zinc/58/15/36/629581536.db2.gz HZYZEEVXGYJZQP-OAHLLOKOSA-N 0 3 263.381 3.334 20 30 CGEDHN COCCCON=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000795050772 629627683 /nfs/dbraw/zinc/62/76/83/629627683.db2.gz IGVDPBCLSVUIFL-KRHMZKEVSA-N 0 3 288.391 3.337 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(CC#N)CC2)c([O-])c1 ZINC000797397906 629941211 /nfs/dbraw/zinc/94/12/11/629941211.db2.gz IUASYOYHOJKNFB-XDHOZWIPSA-N 0 3 285.391 3.351 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000798086886 630020511 /nfs/dbraw/zinc/02/05/11/630020511.db2.gz XHVWHCGTPSQUAH-WBMJQRKESA-N 0 3 295.810 3.425 20 30 CGEDHN C=CCCCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801873745 630362792 /nfs/dbraw/zinc/36/27/92/630362792.db2.gz VXQNDYXXUQORRM-UHFFFAOYSA-N 0 3 265.397 3.150 20 30 CGEDHN C[C@@H](C#N)OCCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000801918583 630366142 /nfs/dbraw/zinc/36/61/42/630366142.db2.gz RTAVBBQNIYNKRY-LBPRGKRZSA-N 0 3 294.345 3.073 20 30 CGEDHN Cc1ccc([C@@H]2CCCCCN2CCO[C@H](C)C#N)o1 ZINC000801922739 630366381 /nfs/dbraw/zinc/36/63/81/630366381.db2.gz OBXACBJVFGCJHG-CABCVRRESA-N 0 3 276.380 3.434 20 30 CGEDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC#N)c1[O-] ZINC000808713637 630669310 /nfs/dbraw/zinc/66/93/10/630669310.db2.gz OJLIRVIGEIDXMK-SNVBAGLBSA-N 0 3 252.745 3.308 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000809607113 630760160 /nfs/dbraw/zinc/76/01/60/630760160.db2.gz PKKAHCBKLZPBAZ-CYBMUJFWSA-N 0 3 280.327 3.427 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(C)c(OC)c2)cc1 ZINC000809610600 630761299 /nfs/dbraw/zinc/76/12/99/630761299.db2.gz YMGBQKRLFGNSAI-UHFFFAOYSA-N 0 3 265.356 3.275 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000809630240 630768209 /nfs/dbraw/zinc/76/82/09/630768209.db2.gz PWVPGAOWSITJCR-SPLOXXLWSA-N 0 3 297.423 3.256 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000809645167 630773542 /nfs/dbraw/zinc/77/35/42/630773542.db2.gz RMYGROKWVLEAIT-SFHVURJKSA-N 0 3 269.388 3.059 20 30 CGEDHN C#Cc1ccc(CN2CC(C)(C)OC(C)(C)C2)cc1 ZINC000809650227 630774400 /nfs/dbraw/zinc/77/44/00/630774400.db2.gz RNRHBYNTEFFJDY-UHFFFAOYSA-N 0 3 257.377 3.057 20 30 CGEDHN C#C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809683031 630779181 /nfs/dbraw/zinc/77/91/81/630779181.db2.gz MPBYKZCEAWACKL-CQSZACIVSA-N 0 3 281.355 3.083 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729019 630793118 /nfs/dbraw/zinc/79/31/18/630793118.db2.gz OMRYAUFYMZPTLM-GOSISDBHSA-N 0 3 262.356 3.400 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccc(O)cc2)cc1 ZINC000809753386 630801070 /nfs/dbraw/zinc/80/10/70/630801070.db2.gz HGIGIUWNLDKZPW-UHFFFAOYSA-N 0 3 251.329 3.006 20 30 CGEDHN C[C@H](CNCc1nc(C#N)cs1)c1cccc(F)c1 ZINC000810140112 630844099 /nfs/dbraw/zinc/84/40/99/630844099.db2.gz PTBAHZXNBHOELU-SNVBAGLBSA-N 0 3 275.352 3.047 20 30 CGEDHN N#CC(C(=O)CCCC1CC1)c1nc2ccccc2[nH]1 ZINC000813057470 631342952 /nfs/dbraw/zinc/34/29/52/631342952.db2.gz KQUSNWJYQGPCIE-LBPRGKRZSA-N 0 3 267.332 3.319 20 30 CGEDHN C=CCC(C)(C)COC(=O)C1CCN(C2CC2)CC1 ZINC000814005023 631506979 /nfs/dbraw/zinc/50/69/79/631506979.db2.gz GVTLPLYTXUTTIE-UHFFFAOYSA-N 0 3 265.397 3.006 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000814169793 631536354 /nfs/dbraw/zinc/53/63/54/631536354.db2.gz MLTAHZGNIADDRB-CVEARBPZSA-N 0 3 291.341 3.176 20 30 CGEDHN N#Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])nc1 ZINC000816583356 632017858 /nfs/dbraw/zinc/01/78/58/632017858.db2.gz IUQHSGHJTRLQRC-UHFFFAOYSA-N 0 3 289.338 3.102 20 30 CGEDHN CCCCC[C@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000818123328 632289442 /nfs/dbraw/zinc/28/94/42/632289442.db2.gz RCEAEVQDEDDHII-KGLIPLIRSA-N 0 3 281.444 3.119 20 30 CGEDHN CCCCCC[C@H](O)CNCc1ccc(C#N)cc1F ZINC000819021812 632365948 /nfs/dbraw/zinc/36/59/48/632365948.db2.gz WNLFBZTUSBKGIV-HNNXBMFYSA-N 0 3 278.371 3.118 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000822497895 632948660 /nfs/dbraw/zinc/94/86/60/632948660.db2.gz NDULNBZYPBMIOL-GXSJLCMTSA-N 0 3 279.727 3.030 20 30 CGEDHN C[C@@H](NCCCC#N)c1cc2c(ccnc2Cl)o1 ZINC000866336929 633085503 /nfs/dbraw/zinc/08/55/03/633085503.db2.gz SXFQRGGHXVXMRN-SECBINFHSA-N 0 3 263.728 3.436 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866368061 633106176 /nfs/dbraw/zinc/10/61/76/633106176.db2.gz VKJCLYUUHJPTCD-JLLWLGSASA-N 0 3 292.766 3.475 20 30 CGEDHN CC[C@@H](NCc1ccnc(F)c1)c1ccc(C#N)cc1 ZINC000866473211 633147895 /nfs/dbraw/zinc/14/78/95/633147895.db2.gz BWDSHCXARPKAEK-OAHLLOKOSA-N 0 3 269.323 3.333 20 30 CGEDHN CS[C@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000866488478 633158840 /nfs/dbraw/zinc/15/88/40/633158840.db2.gz OPDJRXWKCCGSTK-DLOVCJGASA-N 0 3 264.369 3.242 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCc3cccc([O-])c31)C2 ZINC000866616736 633216178 /nfs/dbraw/zinc/21/61/78/633216178.db2.gz UFUJYEONLCSSPO-IAGOWNOFSA-N 0 3 290.366 3.008 20 30 CGEDHN C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cc(F)ccc1[O-] ZINC000866618245 633217986 /nfs/dbraw/zinc/21/79/86/633217986.db2.gz XUCMQXCOFVMGSQ-BDJLRTHQSA-N 0 3 296.345 3.221 20 30 CGEDHN C#C[C@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000824363947 633236188 /nfs/dbraw/zinc/23/61/88/633236188.db2.gz NBCCWJXXPQJTCH-AWEZNQCLSA-N 0 3 284.428 3.496 20 30 CGEDHN C#C[C@H](N[C@@H]1CSC[C@H]1C)c1ccc(Cl)cc1 ZINC000824417540 633243981 /nfs/dbraw/zinc/24/39/81/633243981.db2.gz XNSZGFZKFWKTBV-DDTOSNHZSA-N 0 3 265.809 3.355 20 30 CGEDHN C=C(C)CCNCc1c(Cl)n(C)nc1C(C)C ZINC000824743808 633281493 /nfs/dbraw/zinc/28/14/93/633281493.db2.gz NOEZMKADDUKESL-UHFFFAOYSA-N 0 3 255.793 3.253 20 30 CGEDHN C[C@]1(CNCc2ccc(C#N)cc2F)CC1(Cl)Cl ZINC000824766624 633285780 /nfs/dbraw/zinc/28/57/80/633285780.db2.gz WEFRYNXZEBLXEE-GFCCVEGCSA-N 0 3 287.165 3.371 20 30 CGEDHN C=CC(C)(C)CNCc1c(Cl)nc(Cl)n1C ZINC000824790638 633290713 /nfs/dbraw/zinc/29/07/13/633290713.db2.gz XNYNZWDWJXDIHT-UHFFFAOYSA-N 0 3 262.184 3.029 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000876586493 634861960 /nfs/dbraw/zinc/86/19/60/634861960.db2.gz AFNFAKUCIWAQBV-CABZTGNLSA-N 0 3 286.828 3.012 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000876587469 634862259 /nfs/dbraw/zinc/86/22/59/634862259.db2.gz SFIRXOJZYWZATC-FRRDWIJNSA-N 0 3 286.847 3.177 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OCC(C)C ZINC000876584503 634862316 /nfs/dbraw/zinc/86/23/16/634862316.db2.gz IGCOJURMEBXHJE-GFCCVEGCSA-N 0 3 296.798 3.130 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000876593100 634864414 /nfs/dbraw/zinc/86/44/14/634864414.db2.gz XOMYTELZAVRTNJ-HUUCEWRRSA-N 0 3 292.810 3.128 20 30 CGEDHN C=C(CC)CNCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000825221056 633336884 /nfs/dbraw/zinc/33/68/84/633336884.db2.gz HUDXTHMZXGMSFL-UHFFFAOYSA-N 0 3 291.395 3.484 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000829773800 633780583 /nfs/dbraw/zinc/78/05/83/633780583.db2.gz JXZZBOOUEFXYEF-ZDUSSCGKSA-N 0 3 254.333 3.063 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000829815360 633795337 /nfs/dbraw/zinc/79/53/37/633795337.db2.gz KIULUHRFYUYRFS-OAHLLOKOSA-N 0 3 255.361 3.125 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cccc(O)c1F ZINC000872085049 634010463 /nfs/dbraw/zinc/01/04/63/634010463.db2.gz MUUVCNXIQCCELW-LLVKDONJSA-N 0 3 269.385 3.491 20 30 CGEDHN C[C@@H](NC[C@@H]1CC(C)(C)CO1)c1ccc(C#N)cc1F ZINC000872105199 634026858 /nfs/dbraw/zinc/02/68/58/634026858.db2.gz CTYNCTFPSNETPB-YPMHNXCESA-N 0 3 276.355 3.163 20 30 CGEDHN CC(C)C1(C=Nn2cnnc2-c2ccccc2)CC1 ZINC000872339177 634110817 /nfs/dbraw/zinc/11/08/17/634110817.db2.gz BBUZEVLKDHFVME-UHFFFAOYSA-N 0 3 254.337 3.215 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2csc(-c3ccccn3)n2)CC1 ZINC000873198586 634283296 /nfs/dbraw/zinc/28/32/96/634283296.db2.gz QRTZWHMAEKRBTA-HDJSIYSDSA-N 0 3 297.427 3.487 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000835040639 634329695 /nfs/dbraw/zinc/32/96/95/634329695.db2.gz QZWYYBVOVBPNFK-WZRBSPASSA-N 0 3 298.367 3.064 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000876578298 634861024 /nfs/dbraw/zinc/86/10/24/634861024.db2.gz IMGQKIZCLIVGTO-AWEZNQCLSA-N 0 3 294.826 3.070 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000876657830 634876753 /nfs/dbraw/zinc/87/67/53/634876753.db2.gz SHOHYGLEXAQCTK-HUUCEWRRSA-N 0 3 294.826 3.278 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(SCC)c1 ZINC000876664221 634877845 /nfs/dbraw/zinc/87/78/45/634877845.db2.gz QBDOXAJKODDMOR-GFCCVEGCSA-N 0 3 284.812 3.207 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CCC1)c1ccccc1 ZINC000876688843 634880768 /nfs/dbraw/zinc/88/07/68/634880768.db2.gz WSFRSUBBIXSZSC-HNNXBMFYSA-N 0 3 292.810 3.290 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000876687722 634881050 /nfs/dbraw/zinc/88/10/50/634881050.db2.gz LYEOEVCSPUFLLT-AWEZNQCLSA-N 0 3 280.799 3.243 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(CC)ccc1CC ZINC000876699244 634883905 /nfs/dbraw/zinc/88/39/05/634883905.db2.gz UDXAHSAEAZPHAB-CYBMUJFWSA-N 0 3 280.799 3.220 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000876975450 634942310 /nfs/dbraw/zinc/94/23/10/634942310.db2.gz HFEJDKZFEHUUGJ-KGLIPLIRSA-N 0 3 284.831 3.028 20 30 CGEDHN CO[C@@H](CNCc1cc(C#N)ccc1F)Cc1ccccc1 ZINC000877067774 634969689 /nfs/dbraw/zinc/96/96/89/634969689.db2.gz IHTMCWHVPILMAO-QGZVFWFLSA-N 0 3 298.361 3.045 20 30 CGEDHN CCC(CC)(CNC[C@@H](C)C#N)CNC(=O)OC(C)(C)C ZINC000877320910 635025954 /nfs/dbraw/zinc/02/59/54/635025954.db2.gz BBTDUBLFAIQKIT-ZDUSSCGKSA-N 0 3 297.443 3.067 20 30 CGEDHN COC1(CNCc2cc(C#N)cnc2Cl)CCCCC1 ZINC000877408946 635037490 /nfs/dbraw/zinc/03/74/90/635037490.db2.gz VWEBRBLZEARVKI-UHFFFAOYSA-N 0 3 293.798 3.046 20 30 CGEDHN C#C[C@@H](NCc1cn(-c2cccc(F)c2)nc1C)C(C)C ZINC000840944964 635089358 /nfs/dbraw/zinc/08/93/58/635089358.db2.gz PXSNECJQYTUPML-QGZVFWFLSA-N 0 3 285.366 3.067 20 30 CGEDHN N#Cc1cnc(Cl)c(CN2CCC3(CC3(F)F)CC2)c1 ZINC000877612617 635112445 /nfs/dbraw/zinc/11/24/45/635112445.db2.gz MDRDGNPYOOQRDY-UHFFFAOYSA-N 0 3 297.736 3.228 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000877623879 635118001 /nfs/dbraw/zinc/11/80/01/635118001.db2.gz CSBFYVUADRZSMW-GFCCVEGCSA-N 0 3 272.348 3.322 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877649746 635131324 /nfs/dbraw/zinc/13/13/24/635131324.db2.gz GYWNNNMJDVUUQE-LBPRGKRZSA-N 0 3 286.325 3.358 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@@H](CO)c2ccc(Cl)cc2)C1 ZINC000877699754 635149944 /nfs/dbraw/zinc/14/99/44/635149944.db2.gz INUVAJKJKZUGSI-GLQYFDAESA-N 0 3 278.783 3.045 20 30 CGEDHN C[C@H]1CN(CC(C)(C)CCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000877825187 635229330 /nfs/dbraw/zinc/22/93/30/635229330.db2.gz XYAVHQBGEPASEJ-RYUDHWBXSA-N 0 3 292.345 3.358 20 30 CGEDHN N#C[C@@H](OC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000842315144 635324155 /nfs/dbraw/zinc/32/41/55/635324155.db2.gz OCHCZBGVAVWFRT-QGZVFWFLSA-N 0 3 298.386 3.131 20 30 CGEDHN C#CC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000842634221 635423202 /nfs/dbraw/zinc/42/32/02/635423202.db2.gz RBBHUHNXRMGALL-UHFFFAOYSA-N 0 3 295.382 3.399 20 30 CGEDHN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1ccc(C#N)cc1F ZINC000878407448 635492067 /nfs/dbraw/zinc/49/20/67/635492067.db2.gz SATSGWPMAJXIIY-GXTWGEPZSA-N 0 3 288.366 3.450 20 30 CGEDHN C=CC[C@H](C)N1CCc2nccc(Br)c2C1 ZINC000878768173 635625909 /nfs/dbraw/zinc/62/59/09/635625909.db2.gz TXEOOSVSWDCXFC-JTQLQIEISA-N 0 3 281.197 3.167 20 30 CGEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccc(C)o1)C(C)(C)C ZINC000843409436 635659790 /nfs/dbraw/zinc/65/97/90/635659790.db2.gz IFXZQVNGCXICIW-OAHLLOKOSA-N 0 3 285.391 3.126 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000843424450 635668570 /nfs/dbraw/zinc/66/85/70/635668570.db2.gz UPUIFHGKWBMODN-HNNXBMFYSA-N 0 3 279.387 3.312 20 30 CGEDHN C#CC1CCN(Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000843426568 635670337 /nfs/dbraw/zinc/67/03/37/635670337.db2.gz ADVVTIWMDDQIBD-UHFFFAOYSA-N 0 3 279.387 3.026 20 30 CGEDHN CC(C)(NCC#Cc1ccc(F)cc1)[C@H]1CCCCO1 ZINC000879406840 635779682 /nfs/dbraw/zinc/77/96/82/635779682.db2.gz JQQHJZOMKCDRKG-MRXNPFEDSA-N 0 3 275.367 3.115 20 30 CGEDHN CC(=O)c1cccc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000879432104 635785366 /nfs/dbraw/zinc/78/53/66/635785366.db2.gz CHRAKOWOUWRIAU-UHFFFAOYSA-N 0 3 292.382 3.435 20 30 CGEDHN Cc1cncc([C@@H]2CCCN2CCC(C)(C)C#N)c1 ZINC000879749408 635853123 /nfs/dbraw/zinc/85/31/23/635853123.db2.gz HWZKHLKXTGTRCL-HNNXBMFYSA-N 0 3 257.381 3.467 20 30 CGEDHN C[C@@]1(C(F)(F)F)CCN(CCOc2cccc(C#N)c2)C1 ZINC000880000515 635894796 /nfs/dbraw/zinc/89/47/96/635894796.db2.gz MHOSIAMLRDDAKM-CQSZACIVSA-N 0 3 298.308 3.211 20 30 CGEDHN COc1ccccc1[C@@H]1CSCCCN1CCCC#N ZINC000880173918 635927820 /nfs/dbraw/zinc/92/78/20/635927820.db2.gz PXLSZPMBPNVGPG-HNNXBMFYSA-N 0 3 290.432 3.479 20 30 CGEDHN C#C[C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000847026603 636317152 /nfs/dbraw/zinc/31/71/52/636317152.db2.gz QDNIQDOEWQHNSY-OLZOCXBDSA-N 0 3 258.321 3.001 20 30 CGEDHN Fc1ccccc1N=NC1CCCN2CCCC[C@H]12 ZINC000848404237 636567823 /nfs/dbraw/zinc/56/78/23/636567823.db2.gz IANWTFSTLOCLDQ-OAHLLOKOSA-N 0 3 261.344 3.242 20 30 CGEDHN COc1cc(F)ccc1N=NC1CCCN2CCCC[C@H]12 ZINC000848409928 636570014 /nfs/dbraw/zinc/57/00/14/636570014.db2.gz FWKUNKXJTKBQKX-OAHLLOKOSA-N 0 3 291.370 3.251 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)N[C@@H](C)c1nncn1C ZINC000883185171 636571009 /nfs/dbraw/zinc/57/10/09/636571009.db2.gz PWKZKDOFUYZGSH-HOCLYGCPSA-N 0 3 284.407 3.043 20 30 CGEDHN C=CCC[C@H](NCc1nc2cc(C)ccc2[nH]1)[C@H]1CCCO1 ZINC000883194374 636577733 /nfs/dbraw/zinc/57/77/33/636577733.db2.gz UQJCYRQELRDSTJ-DOTOQJQBSA-N 0 3 299.418 3.475 20 30 CGEDHN C=CCC[C@H](NCc1nc2ccc(C)cc2[nH]1)[C@H]1CCCO1 ZINC000883194374 636577735 /nfs/dbraw/zinc/57/77/35/636577735.db2.gz UQJCYRQELRDSTJ-DOTOQJQBSA-N 0 3 299.418 3.475 20 30 CGEDHN C=CCC[C@@H](NCc1c(CC)noc1CC)[C@@H]1CCCO1 ZINC000883196783 636578929 /nfs/dbraw/zinc/57/89/29/636578929.db2.gz VZKCZHXJCRPERR-WBVHZDCISA-N 0 3 292.423 3.403 20 30 CGEDHN C=CCCC[C@H](NC[C@H](C)S(C)(=O)=O)c1ccccc1 ZINC000883207781 636585948 /nfs/dbraw/zinc/58/59/48/636585948.db2.gz SNZCMLSYZBYOTR-HOCLYGCPSA-N 0 3 295.448 3.107 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](CC)c1sccc1Cl ZINC000883215837 636589755 /nfs/dbraw/zinc/58/97/55/636589755.db2.gz GYKYOZBAOPOEKR-KOLCDFICSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CCC[C@H](N[C@@H](C)c1nccn1CC)[C@H]1CCCO1 ZINC000883227871 636598982 /nfs/dbraw/zinc/59/89/82/636598982.db2.gz ZZUYTWPVTVFVGQ-SOUVJXGZSA-N 0 3 277.412 3.067 20 30 CGEDHN C[C@@H](NCCc1ccns1)c1ccc(C#N)cc1F ZINC000883247744 636617600 /nfs/dbraw/zinc/61/76/00/636617600.db2.gz UQOFZAYTTJSCEI-SNVBAGLBSA-N 0 3 275.352 3.047 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000848923690 636695813 /nfs/dbraw/zinc/69/58/13/636695813.db2.gz IKDLYAIVXXDMQN-OAHLLOKOSA-N 0 3 297.377 3.165 20 30 CGEDHN C#C[C@H]1CCCN(C/C=C/c2ccccc2OC)C1 ZINC000848924112 636695822 /nfs/dbraw/zinc/69/58/22/636695822.db2.gz NXJXGJVJVGGUPU-VSGCLNPGSA-N 0 3 255.361 3.054 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000848925289 636698205 /nfs/dbraw/zinc/69/82/05/636698205.db2.gz RQAOVYGAKLTREU-GOSISDBHSA-N 0 3 299.414 3.232 20 30 CGEDHN C=CCCn1cc(CNC2CCCCCCC2)nn1 ZINC000850005960 636925852 /nfs/dbraw/zinc/92/58/52/636925852.db2.gz MWSYUMJKJZPELN-UHFFFAOYSA-N 0 3 262.401 3.057 20 30 CGEDHN CCCCCCCNCc1cn(C2CCC2)nn1 ZINC000850012736 636928471 /nfs/dbraw/zinc/92/84/71/636928471.db2.gz OFIPEQARJHUPCY-UHFFFAOYSA-N 0 3 250.390 3.063 20 30 CGEDHN N#CC1(c2ccc(C[NH2+]Cc3ccccc3[O-])cc2)CC1 ZINC000850113727 636960909 /nfs/dbraw/zinc/96/09/09/636960909.db2.gz SYJBHZAKJAMOLG-UHFFFAOYSA-N 0 3 278.355 3.237 20 30 CGEDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(C#N)cc2)c([O-])c1 ZINC000850488440 637088167 /nfs/dbraw/zinc/08/81/67/637088167.db2.gz MWBKYNBOEBSGDF-AWEZNQCLSA-N 0 3 280.371 3.466 20 30 CGEDHN C#CC[C@@H]1CCN([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000886355515 637511279 /nfs/dbraw/zinc/51/12/79/637511279.db2.gz JQSGDYGLRSZFGG-ZIAGYGMSSA-N 0 3 281.359 3.143 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000886356263 637511446 /nfs/dbraw/zinc/51/14/46/637511446.db2.gz XEEKFWSHVRUGQX-CQSZACIVSA-N 0 3 296.370 3.195 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@H]2Cc2ccccn2)CCC1 ZINC000852565263 637679800 /nfs/dbraw/zinc/67/98/00/637679800.db2.gz FQIOHSQMXMLTJV-HOCLYGCPSA-N 0 3 269.392 3.076 20 30 CGEDHN C=CCC1(O)CCN(Cc2cccc(OCCC)c2)CC1 ZINC000886778854 637686057 /nfs/dbraw/zinc/68/60/57/637686057.db2.gz YAEHXROSEIAXMV-UHFFFAOYSA-N 0 3 289.419 3.378 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000886819621 637706056 /nfs/dbraw/zinc/70/60/56/637706056.db2.gz UVGQVSISIHEQAC-GDBMZVCRSA-N 0 3 290.794 3.213 20 30 CGEDHN C#C[C@H](N[C@H](CC)c1ccc(F)cc1F)C1CCOCC1 ZINC000853079055 637752474 /nfs/dbraw/zinc/75/24/74/637752474.db2.gz WYKWNFIWYFOAHL-DLBZAZTESA-N 0 3 293.357 3.434 20 30 CGEDHN N#C[C@H]1CC[C@H](N2Cc3ccccc3OC3(CCC3)C2)C1 ZINC000887150123 637764225 /nfs/dbraw/zinc/76/42/25/637764225.db2.gz YBCRDNDHTOZZIX-HOCLYGCPSA-N 0 3 282.387 3.496 20 30 CGEDHN C#Cc1cccnc1NC[C@H](c1ccco1)N(CC)CC ZINC000853235778 637789063 /nfs/dbraw/zinc/78/90/63/637789063.db2.gz MQCKEAYHUCZBLH-OAHLLOKOSA-N 0 3 283.375 3.151 20 30 CGEDHN CO[C@@H](C=Nn1cnc2ccccc21)C1CCCCC1 ZINC000853284228 637800463 /nfs/dbraw/zinc/80/04/63/637800463.db2.gz USIDOVKMPFWJKT-INIZCTEOSA-N 0 3 271.364 3.466 20 30 CGEDHN CC[C@@H](C)CON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853349771 637820739 /nfs/dbraw/zinc/82/07/39/637820739.db2.gz HYGAPPDQOINELA-CQSZACIVSA-N 0 3 290.407 3.044 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1nccc1-c1ccncc1 ZINC000853598158 637871678 /nfs/dbraw/zinc/87/16/78/637871678.db2.gz MOYAFOBAPWERGN-IYBDPMFKSA-N 0 3 280.375 3.086 20 30 CGEDHN C=C1CCC(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000887650732 637880584 /nfs/dbraw/zinc/88/05/84/637880584.db2.gz OYLBYXTTWQLNJP-KRWDZBQOSA-N 0 3 286.419 3.152 20 30 CGEDHN C=C1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000887712084 637890618 /nfs/dbraw/zinc/89/06/18/637890618.db2.gz BPBQCQHFTQZNRP-GOSISDBHSA-N 0 3 298.430 3.124 20 30 CGEDHN COc1cccc2c1OCC[C@@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925402445 638500198 /nfs/dbraw/zinc/50/01/98/638500198.db2.gz GFDXBVOKSASSFI-JSGCOSHPSA-N 0 3 288.391 3.437 20 30 CGEDHN C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000925601945 638542997 /nfs/dbraw/zinc/54/29/97/638542997.db2.gz PWXYIHOVQTWUQY-CZUORRHYSA-N 0 3 281.359 3.483 20 30 CGEDHN N#CCC[C@@H](N[C@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000857857101 638579412 /nfs/dbraw/zinc/57/94/12/638579412.db2.gz AAKAZNHXDKYNOG-CVEARBPZSA-N 0 3 280.375 3.422 20 30 CGEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccnc(C)c2)c1 ZINC000858137286 638640561 /nfs/dbraw/zinc/64/05/61/638640561.db2.gz LLHGTJKBFUWNGX-QGZVFWFLSA-N 0 3 295.386 3.361 20 30 CGEDHN C=CCCn1cc(CNC2(C)CCC(C)(C)CC2)nn1 ZINC000858276719 638670841 /nfs/dbraw/zinc/67/08/41/638670841.db2.gz WAOQSHRKHVBZNC-UHFFFAOYSA-N 0 3 276.428 3.303 20 30 CGEDHN C#CC[C@@H](COC)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000858335528 638685566 /nfs/dbraw/zinc/68/55/66/638685566.db2.gz ZYTFPCLTIUWESI-ZDUSSCGKSA-N 0 3 285.309 3.142 20 30 CGEDHN C=C1CCC(CN[C@H](C)c2cc(OC)no2)CC1 ZINC000926925910 638826441 /nfs/dbraw/zinc/82/64/41/638826441.db2.gz QXLMARJZLMHYMO-LLVKDONJSA-N 0 3 250.342 3.080 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000929290186 638916076 /nfs/dbraw/zinc/91/60/76/638916076.db2.gz WGMWXEQLMBLLGC-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN Cc1c2ccccc2oc1[C@H](NC[C@H](O)CC#N)C(C)C ZINC000930223315 638984017 /nfs/dbraw/zinc/98/40/17/638984017.db2.gz WAUJAQZVUGCBHW-CZUORRHYSA-N 0 3 286.375 3.303 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CCC(F)(F)CC1 ZINC000930292843 638988646 /nfs/dbraw/zinc/98/86/46/638988646.db2.gz KTWOJLIHBIKKQI-UHFFFAOYSA-N 0 3 264.319 3.406 20 30 CGEDHN CCOC(=O)/C=C/CN[C@@H](CCCC#N)c1ccccc1 ZINC000930571937 639028839 /nfs/dbraw/zinc/02/88/39/639028839.db2.gz ZZXSLCKOGKTSKE-RCLKMUNOSA-N 0 3 286.375 3.130 20 30 CGEDHN Cc1cc(CN2CCC(c3ncco3)CC2)ccc1C#N ZINC000931443967 639149904 /nfs/dbraw/zinc/14/99/04/639149904.db2.gz JRUICRWCHRNOFC-UHFFFAOYSA-N 0 3 281.359 3.234 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@](O)(c3ccccc3)C2)s1 ZINC000859587951 639168978 /nfs/dbraw/zinc/16/89/78/639168978.db2.gz CQEFPBRQJPBFKV-KRWDZBQOSA-N 0 3 298.411 3.103 20 30 CGEDHN C=CCN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000932231320 639299518 /nfs/dbraw/zinc/29/95/18/639299518.db2.gz BFEHBGLECATEOF-UHFFFAOYSA-N 0 3 286.297 3.130 20 30 CGEDHN N#Cc1ccccc1CN[C@H]1CCOC12CCCCC2 ZINC000933869793 639500108 /nfs/dbraw/zinc/50/01/08/639500108.db2.gz FHCWBOCPKMDPMB-INIZCTEOSA-N 0 3 270.376 3.140 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000118399012 639600398 /nfs/dbraw/zinc/60/03/98/639600398.db2.gz NBKWZBKUERFKOO-CYBMUJFWSA-N 0 3 266.344 3.457 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000118399012 639600405 /nfs/dbraw/zinc/60/04/05/639600405.db2.gz NBKWZBKUERFKOO-CYBMUJFWSA-N 0 3 266.344 3.457 20 30 CGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000934649759 639650434 /nfs/dbraw/zinc/65/04/34/639650434.db2.gz YUFCCZRSCNUSJI-CQSZACIVSA-N 0 3 292.427 3.079 20 30 CGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccccc1OC ZINC000934650993 639651401 /nfs/dbraw/zinc/65/14/01/639651401.db2.gz OTSFDPIJFGDLIV-CQSZACIVSA-N 0 3 290.407 3.310 20 30 CGEDHN C=CC1(CC(=O)N[C@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000935311531 639786272 /nfs/dbraw/zinc/78/62/72/639786272.db2.gz DGSCOGKAMXJNCK-OAHLLOKOSA-N 0 3 290.451 3.280 20 30 CGEDHN N#CC(C(=O)C[C@H]1C=CCC1)c1nc2ccccc2[nH]1 ZINC000041496150 639904962 /nfs/dbraw/zinc/90/49/62/639904962.db2.gz ZLMXOAODHJTMKN-RYUDHWBXSA-N 0 3 265.316 3.095 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000075604477 640146729 /nfs/dbraw/zinc/14/67/29/640146729.db2.gz UXZJEZXWHJOLDU-UHFFFAOYSA-N 0 3 297.354 3.309 20 30 CGEDHN C#CCN(CCOCC(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000194308566 640526230 /nfs/dbraw/zinc/52/62/30/640526230.db2.gz LPDCIRJGBSSTDO-OAHLLOKOSA-N 0 3 297.320 3.188 20 30 CGEDHN CCO[C@@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000194484490 640535956 /nfs/dbraw/zinc/53/59/56/640535956.db2.gz FTCJYIQDELCUAD-RHSMWYFYSA-N 0 3 280.327 3.036 20 30 CGEDHN C#CCN(CCO[C@@H]1CCCCO1)[C@@H]1CCc2ccccc21 ZINC000195234736 640574573 /nfs/dbraw/zinc/57/45/73/640574573.db2.gz VBPAMCVCJPBIHX-RTBURBONSA-N 0 3 299.414 3.152 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001007219406 640928418 /nfs/dbraw/zinc/92/84/18/640928418.db2.gz GUFDRUGPPOECMU-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001008431329 640950281 /nfs/dbraw/zinc/95/02/81/640950281.db2.gz WZZQBSMNOAYGTP-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001016010310 640989819 /nfs/dbraw/zinc/98/98/19/640989819.db2.gz ZRFZROYUPYLNNJ-SFHVURJKSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016172526 640992913 /nfs/dbraw/zinc/99/29/13/640992913.db2.gz ZAZVRQPLKZITCN-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@H](C)C1 ZINC001017821742 641017040 /nfs/dbraw/zinc/01/70/40/641017040.db2.gz GYXVXEZWWVVQNA-LUKYLMHMSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCC(=O)NCCCNCc1cccc(Cl)c1F ZINC001155580221 805595339 /nfs/dbraw/zinc/59/53/39/805595339.db2.gz WNNHCUOOMDKGDO-UHFFFAOYSA-N 0 3 298.789 3.041 20 30 CGEDHN C=CCCC(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001155601914 805596947 /nfs/dbraw/zinc/59/69/47/805596947.db2.gz FAQDBUKFIASFOW-GFCCVEGCSA-N 0 3 296.361 3.088 20 30 CGEDHN C=CCCC(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001155601915 805597499 /nfs/dbraw/zinc/59/74/99/805597499.db2.gz FAQDBUKFIASFOW-LBPRGKRZSA-N 0 3 296.361 3.088 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)CCCCC ZINC001155654501 805600423 /nfs/dbraw/zinc/60/04/23/805600423.db2.gz QNQHPYDAUWZINO-IAGOWNOFSA-N 0 3 294.483 3.443 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCC[C@H]1C(C)=O ZINC001252132746 806018363 /nfs/dbraw/zinc/01/83/63/806018363.db2.gz KROBAWQJSUKTEL-CVEARBPZSA-N 0 3 269.429 3.151 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cc(OC)ccn1 ZINC001252136074 806021713 /nfs/dbraw/zinc/02/17/13/806021713.db2.gz LUFAMNSGZWRJDG-INIZCTEOSA-N 0 3 294.439 3.291 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1ccnn1CCF ZINC001252138417 806023449 /nfs/dbraw/zinc/02/34/49/806023449.db2.gz BOKBSMWOXMTPRO-MRXNPFEDSA-N 0 3 299.434 3.054 20 30 CGEDHN C=C[C@](C)(O)CN1CCC[C@H]1c1cc(F)ccc1F ZINC001252555677 806063211 /nfs/dbraw/zinc/06/32/11/806063211.db2.gz ZXOZXGMTDFDBTF-GJZGRUSLSA-N 0 3 267.319 3.039 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC001252620258 806091750 /nfs/dbraw/zinc/09/17/50/806091750.db2.gz SJNPIBNBJHPXOO-OALUTQOASA-N 0 3 297.398 3.398 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1C[C@@H](C)[C@@H](F)C1 ZINC001253234314 806188591 /nfs/dbraw/zinc/18/85/91/806188591.db2.gz YUEGCQGCAKDFKN-ILXRZTDVSA-N 0 3 257.393 3.164 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ccccn1 ZINC001253230392 806185719 /nfs/dbraw/zinc/18/57/19/806185719.db2.gz YSTKMJNGRVDWDY-MRXNPFEDSA-N 0 3 262.397 3.059 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1CCN(CCCC)CC1 ZINC001253239582 806190349 /nfs/dbraw/zinc/19/03/49/806190349.db2.gz OBTXGTIFZXJYDT-SFHVURJKSA-N 0 3 296.499 3.292 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001160882346 806315977 /nfs/dbraw/zinc/31/59/77/806315977.db2.gz LLXBPMRIMZZFLG-QGZVFWFLSA-N 0 3 288.435 3.057 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cnc2cccc(C)c2n1 ZINC001160952844 806325769 /nfs/dbraw/zinc/32/57/69/806325769.db2.gz FFMDSMMUGDOLBN-AWEZNQCLSA-N 0 3 282.391 3.001 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)N[C@H]1CCCOC1 ZINC001254369579 806385415 /nfs/dbraw/zinc/38/54/15/806385415.db2.gz IXGCCJHMEQDNOY-KGLIPLIRSA-N 0 3 261.365 3.081 20 30 CGEDHN N#CCCN([C@@H]1CCCOC1)C1CCCCCCC1 ZINC001254384937 806390999 /nfs/dbraw/zinc/39/09/99/806390999.db2.gz VPEKRQDFCYYZIF-MRXNPFEDSA-N 0 3 264.413 3.494 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H](C)CC(C)C)CC1 ZINC001161688726 806420779 /nfs/dbraw/zinc/42/07/79/806420779.db2.gz QAMZAEQCKHZASQ-MRXNPFEDSA-N 0 3 292.467 3.383 20 30 CGEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccccc1C#N ZINC001254536245 806444625 /nfs/dbraw/zinc/44/46/25/806444625.db2.gz AVBPSMODZMTBSH-CYBMUJFWSA-N 0 3 295.342 3.187 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccncc2Cl)C2CC2)C1 ZINC001254648116 806471737 /nfs/dbraw/zinc/47/17/37/806471737.db2.gz KBWMVHXLWMVNGS-GMXABZIVSA-N 0 3 275.783 3.468 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2ccc(Cl)cn2)C2CC2)C1 ZINC001254654894 806477077 /nfs/dbraw/zinc/47/70/77/806477077.db2.gz BGCWAFFANOGTBR-YVLXSGLVSA-N 0 3 275.783 3.468 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2[C@H]2CC[C@H](C#N)C2)cn1 ZINC001254672462 806482192 /nfs/dbraw/zinc/48/21/92/806482192.db2.gz BKXRYDYCXUDJGA-BPUTZDHNSA-N 0 3 255.365 3.219 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCSc3ccccc3C2)C1 ZINC001254674414 806483541 /nfs/dbraw/zinc/48/35/41/806483541.db2.gz YTOURUFFIYHUAV-TZMCWYRMSA-N 0 3 258.390 3.287 20 30 CGEDHN N=C(NC1Cc2ccccc2C1)c1ccc2ccccc2n1 ZINC001255014762 806525931 /nfs/dbraw/zinc/52/59/31/806525931.db2.gz JZCANNYBGUQWKZ-UHFFFAOYSA-N 0 3 287.366 3.108 20 30 CGEDHN CC[C@H](CC#N)NC[C@H](c1ccccc1)N1CCCC1 ZINC001255153005 806555493 /nfs/dbraw/zinc/55/54/93/806555493.db2.gz NAKOKXLADYKJKN-IAGOWNOFSA-N 0 3 271.408 3.105 20 30 CGEDHN CC[C@H](CC#N)NC1(Cc2ccccc2)CCOCC1 ZINC001255162254 806560991 /nfs/dbraw/zinc/56/09/91/806560991.db2.gz LQIJLGJADQULDL-MRXNPFEDSA-N 0 3 272.392 3.060 20 30 CGEDHN CC[C@@H](CC#N)NCC1(Cc2cccc(OC)c2)CC1 ZINC001255162155 806561086 /nfs/dbraw/zinc/56/10/86/806561086.db2.gz IZYFLCSYLVUBRR-HNNXBMFYSA-N 0 3 272.392 3.300 20 30 CGEDHN N#CC1(c2ccc(-n3nccc3CN)cc2)CCCCC1 ZINC001162593194 806626231 /nfs/dbraw/zinc/62/62/31/806626231.db2.gz BGRKRWRHELCKGS-UHFFFAOYSA-N 0 3 280.375 3.056 20 30 CGEDHN CN1CCC[C@@H](N(CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001255490422 806649894 /nfs/dbraw/zinc/64/98/94/806649894.db2.gz VNGKRZJJGAKQNW-MRXNPFEDSA-N 0 3 291.826 3.150 20 30 CGEDHN C[C@@H](N)c1nc2ccccc2n1-c1cc(C#N)ccc1F ZINC001162767647 806661919 /nfs/dbraw/zinc/66/19/19/806661919.db2.gz ZNTFBOGWSOAVHX-SNVBAGLBSA-N 0 3 280.306 3.056 20 30 CGEDHN C[C@H](N)c1nc2ccccc2n1-c1ccccc1CS ZINC001162778224 806663202 /nfs/dbraw/zinc/66/32/02/806663202.db2.gz ZRUVGNUUKBRXSH-NSHDSACASA-N 0 3 283.400 3.475 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1 ZINC000128618078 799019419 /nfs/dbraw/zinc/01/94/19/799019419.db2.gz UNPNXHZWDOEGAX-OAHLLOKOSA-N 0 3 286.375 3.333 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CC1 ZINC000176542603 799099393 /nfs/dbraw/zinc/09/93/93/799099393.db2.gz VPPLXGSCXVBTGC-KOLCDFICSA-N 0 3 254.289 3.050 20 30 CGEDHN N#CCc1cccc(N[C@@H]2CNCc3ccsc32)c1F ZINC001163230235 806729869 /nfs/dbraw/zinc/72/98/69/806729869.db2.gz UGLASJUBZAZHQU-CYBMUJFWSA-N 0 3 287.363 3.210 20 30 CGEDHN C[C@@H]1CC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000338951004 799278436 /nfs/dbraw/zinc/27/84/36/799278436.db2.gz BVXWVCXCTRGGDI-UKRRQHHQSA-N 0 3 287.382 3.008 20 30 CGEDHN CCCCCCCNC(=O)c1cc2c(s1)CCNC2 ZINC000705864269 799953620 /nfs/dbraw/zinc/95/36/20/799953620.db2.gz WTTIELKIJYSBQF-UHFFFAOYSA-N 0 3 280.437 3.094 20 30 CGEDHN CCCCCCCN[C@@H](C)c1cn(CCC)nn1 ZINC000715862915 800148145 /nfs/dbraw/zinc/14/81/45/800148145.db2.gz RMWSKJSBWYFSCN-ZDUSSCGKSA-N 0 3 252.406 3.309 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107847 800832231 /nfs/dbraw/zinc/83/22/31/800832231.db2.gz CTBYJMNPGXSREZ-QGZVFWFLSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(CC)CC ZINC001032790878 800936372 /nfs/dbraw/zinc/93/63/72/800936372.db2.gz AREBCKRQLJCKAA-GJZGRUSLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001033471278 800965964 /nfs/dbraw/zinc/96/59/64/800965964.db2.gz IUYLFHKARNRMHR-LBPRGKRZSA-N 0 3 298.839 3.124 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033679008 800972768 /nfs/dbraw/zinc/97/27/68/800972768.db2.gz RNQQQOOQVZWCNS-SJLPKXTDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034501592 801030082 /nfs/dbraw/zinc/03/00/82/801030082.db2.gz XEXFVJTTYFAETL-QGZVFWFLSA-N 0 3 286.419 3.155 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402536 801125143 /nfs/dbraw/zinc/12/51/43/801125143.db2.gz NOWSUVZCEVMBSK-SJORKVTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001038492279 801126341 /nfs/dbraw/zinc/12/63/41/801126341.db2.gz BRDYPWFTISZEFE-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038522243 801126649 /nfs/dbraw/zinc/12/66/49/801126649.db2.gz CGDZQQXNRXAFPQ-HNNXBMFYSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CCCC1 ZINC001039371113 801160120 /nfs/dbraw/zinc/16/01/20/801160120.db2.gz QRWCCOHYBWCGKR-CVEARBPZSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(C)c3C)C[C@H]21 ZINC001042339474 801205159 /nfs/dbraw/zinc/20/51/59/801205159.db2.gz XCZSNYPOBDIIBC-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046413918 801310365 /nfs/dbraw/zinc/31/03/65/801310365.db2.gz CZHJQROIVIDRDN-FUHWJXTLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCN1CC[C@@](C)(NC(=O)c2cc(Cl)cs2)C1 ZINC001046675808 801320324 /nfs/dbraw/zinc/32/03/24/801320324.db2.gz UCLXAJZRUXYZDB-CQSZACIVSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049306677 801362330 /nfs/dbraw/zinc/36/23/30/801362330.db2.gz DCEKBKNHUXYHDX-HUUCEWRRSA-N 0 3 290.432 3.003 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCCCC1 ZINC001049696019 801383417 /nfs/dbraw/zinc/38/34/17/801383417.db2.gz WZOJFRXOPVXURQ-CVEARBPZSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457994 801536672 /nfs/dbraw/zinc/53/66/72/801536672.db2.gz OVHVMYALXWPLOM-NVXWUHKLSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(C)=O)CC2)CC1 ZINC001075441675 801601374 /nfs/dbraw/zinc/60/13/74/801601374.db2.gz MJXLZKOMMWGQEE-OAHLLOKOSA-N 0 3 298.858 3.100 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001081020190 801659247 /nfs/dbraw/zinc/65/92/47/801659247.db2.gz VVHNYSPTUVCUFI-GARNVTTQSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC(C)(C)C1 ZINC001085188352 801679825 /nfs/dbraw/zinc/67/98/25/801679825.db2.gz XVKPDPGJNBTYFN-ZIAGYGMSSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594574 801696060 /nfs/dbraw/zinc/69/60/60/801696060.db2.gz JYUNFELJRFCQGS-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1CC ZINC001087578506 801756576 /nfs/dbraw/zinc/75/65/76/801756576.db2.gz ZKMYRSGCLZAWPJ-XUWVNRHRSA-N 0 3 292.467 3.214 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1CC ZINC001087561154 801756805 /nfs/dbraw/zinc/75/68/05/801756805.db2.gz GOIWCUHBJUSBMN-LSDHHAIUSA-N 0 3 290.407 3.055 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088586380 801800600 /nfs/dbraw/zinc/80/06/00/801800600.db2.gz QJXARFNERQEXEW-IKGGRYGDSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001099215479 801934296 /nfs/dbraw/zinc/93/42/96/801934296.db2.gz VDINWXSSUHTHCO-HNNXBMFYSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102262986 802003998 /nfs/dbraw/zinc/00/39/98/802003998.db2.gz RHRJVZXJADVXJY-VREHXWONSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109350969 802113815 /nfs/dbraw/zinc/11/38/15/802113815.db2.gz KZXAWMDZOIUCRY-SQNIBIBYSA-N 0 3 298.430 3.264 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001111929797 802172735 /nfs/dbraw/zinc/17/27/35/802172735.db2.gz ASULUIQORVVEOG-BQFCYCMXSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC001112693696 802186649 /nfs/dbraw/zinc/18/66/49/802186649.db2.gz NUWKJNMDMIWNNX-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OCC=C)C2)cc1 ZINC001116576015 802380127 /nfs/dbraw/zinc/38/01/27/802380127.db2.gz NWHPVXKKIBVHEK-QGZVFWFLSA-N 0 3 273.376 3.028 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)CCCCC ZINC001176720591 809750222 /nfs/dbraw/zinc/75/02/22/809750222.db2.gz CSUKACSQZCPIGH-CQSZACIVSA-N 0 3 288.863 3.441 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)C(C)C)C2 ZINC001121860285 802848699 /nfs/dbraw/zinc/84/86/99/802848699.db2.gz LLCZMEVWLIJNSX-BAYAOMGESA-N 0 3 298.858 3.048 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC001122038883 802858325 /nfs/dbraw/zinc/85/83/25/802858325.db2.gz QYWAAPSRQAWXPT-RDJZCZTQSA-N 0 3 276.424 3.019 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001122099273 802859552 /nfs/dbraw/zinc/85/95/52/802859552.db2.gz FIXMITUREMHXBJ-IXDOHACOSA-N 0 3 286.419 3.123 20 30 CGEDHN CCCC[C@](C)(F)C(=O)C(C#N)c1ncc(Cl)n1C ZINC001123232542 802919273 /nfs/dbraw/zinc/91/92/73/802919273.db2.gz ACOYILQGOTZJMB-ZANVPECISA-N 0 3 285.750 3.168 20 30 CGEDHN Cc1scc(C(=O)C(C#N)c2ncc(Cl)n2C)c1C ZINC001123234265 802920286 /nfs/dbraw/zinc/92/02/86/802920286.db2.gz STGTYEFVILUYOP-VIFPVBQESA-N 0 3 293.779 3.242 20 30 CGEDHN C=C(C)CCC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001128413320 803190265 /nfs/dbraw/zinc/19/02/65/803190265.db2.gz CELJTFBKMLXVJN-LBPRGKRZSA-N 0 3 296.361 3.088 20 30 CGEDHN N#Cc1ccc(-c2ccc3[nH]c(N)nc3c2)c(Cl)c1 ZINC001244330771 803308637 /nfs/dbraw/zinc/30/86/37/803308637.db2.gz XNAISSAEIGCLLW-UHFFFAOYSA-N 0 3 268.707 3.337 20 30 CGEDHN N#Cc1ccc(-c2ccc3nc(N)[nH]c3c2)c(Cl)c1 ZINC001244330771 803308641 /nfs/dbraw/zinc/30/86/41/803308641.db2.gz XNAISSAEIGCLLW-UHFFFAOYSA-N 0 3 268.707 3.337 20 30 CGEDHN CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001132224859 803381249 /nfs/dbraw/zinc/38/12/49/803381249.db2.gz RHDVXMZSLGEFKM-IAGOWNOFSA-N 0 3 290.451 3.115 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001132227274 803381344 /nfs/dbraw/zinc/38/13/44/803381344.db2.gz BFVCFUXMNSTJOQ-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132241090 803385064 /nfs/dbraw/zinc/38/50/64/803385064.db2.gz QOGBZOFFXMKSHY-HUUCEWRRSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)CCC)CC[C@@H]1C ZINC001132252809 803387956 /nfs/dbraw/zinc/38/79/56/803387956.db2.gz KSRMIDZSZGKAMR-GJZGRUSLSA-N 0 3 280.456 3.358 20 30 CGEDHN COc1ccc(CN2CCCCC[C@H]2C)c(C#N)c1 ZINC001137703927 803760843 /nfs/dbraw/zinc/76/08/43/803760843.db2.gz ZDOOXYFLNRHUPL-CYBMUJFWSA-N 0 3 258.365 3.331 20 30 CGEDHN CN1CCCc2cc(CN3CCC[C@@H](CC#N)C3)ccc21 ZINC001138358743 803903387 /nfs/dbraw/zinc/90/33/87/803903387.db2.gz YYBDGCJXSSOLMP-HNNXBMFYSA-N 0 3 283.419 3.195 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001138556098 803966928 /nfs/dbraw/zinc/96/69/28/803966928.db2.gz FNQXWXGVIZBAKE-OAHLLOKOSA-N 0 3 297.320 3.268 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccccc2N2CCCC2)C1 ZINC001138611430 803977739 /nfs/dbraw/zinc/97/77/39/803977739.db2.gz OMZPTHKVAMHPEH-INIZCTEOSA-N 0 3 283.419 3.412 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(CF)CC2)c1[O-] ZINC001138628305 803984562 /nfs/dbraw/zinc/98/45/62/803984562.db2.gz RZJKHBKHYRPICP-UHFFFAOYSA-N 0 3 263.356 3.302 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC001138628328 803984808 /nfs/dbraw/zinc/98/48/08/803984808.db2.gz SEWIYVMNVQLDND-GASCZTMLSA-N 0 3 257.377 3.209 20 30 CGEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC001138628328 803984816 /nfs/dbraw/zinc/98/48/16/803984816.db2.gz SEWIYVMNVQLDND-GASCZTMLSA-N 0 3 257.377 3.209 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(CCOC)CC2)c1[O-] ZINC001138628911 803985018 /nfs/dbraw/zinc/98/50/18/803985018.db2.gz JTHPSSVNBQZRIS-UHFFFAOYSA-N 0 3 289.419 3.369 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccccc2OCCC)C1 ZINC001139001351 804104888 /nfs/dbraw/zinc/10/48/88/804104888.db2.gz DBBWKFXMYNTPGG-HNNXBMFYSA-N 0 3 257.377 3.321 20 30 CGEDHN C=CCOc1ccccc1CN1CCCC[C@H]1COC ZINC001139028876 804111769 /nfs/dbraw/zinc/11/17/69/804111769.db2.gz HNSRWTPPPFPAFB-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(N2CCCCC2)nc1 ZINC001139345117 804180102 /nfs/dbraw/zinc/18/01/02/804180102.db2.gz CKRYIVTWAIPMFJ-UHFFFAOYSA-N 0 3 273.424 3.470 20 30 CGEDHN CCCCCCC[C@@H](C)NC1=C(C(=O)OCC)CNCC1 ZINC001246283856 804258113 /nfs/dbraw/zinc/25/81/13/804258113.db2.gz JZRJPYISCMURCI-CQSZACIVSA-N 0 3 296.455 3.136 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[C@H]1CCC ZINC001139874364 804305438 /nfs/dbraw/zinc/30/54/38/804305438.db2.gz WHNUDTOFRLPZLN-CVEARBPZSA-N 0 3 280.456 3.169 20 30 CGEDHN CCCO[C@H]1CCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140114370 804381580 /nfs/dbraw/zinc/38/15/80/804381580.db2.gz OHTYIARRTOVXGU-HNNXBMFYSA-N 0 3 283.375 3.040 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccn2)c(F)c1 ZINC001140139287 804387252 /nfs/dbraw/zinc/38/72/52/804387252.db2.gz PUCOLIMJBNMYET-QGZVFWFLSA-N 0 3 295.361 3.299 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OCC3CC3)c2)C1 ZINC001140490910 804447248 /nfs/dbraw/zinc/44/72/48/804447248.db2.gz INJOUGQSVKDVFB-HNNXBMFYSA-N 0 3 299.414 3.329 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)C2)cn1 ZINC001140543706 804457960 /nfs/dbraw/zinc/45/79/60/804457960.db2.gz RJPDXDDYRJIYJZ-QGZVFWFLSA-N 0 3 277.371 3.333 20 30 CGEDHN CN(CCc1ccccc1Cl)Cc1ccc(C#N)nc1 ZINC001140544635 804458349 /nfs/dbraw/zinc/45/83/49/804458349.db2.gz WYQKMKQKMYKRCE-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OC(F)F)c(O)c1 ZINC001140629635 804478269 /nfs/dbraw/zinc/47/82/69/804478269.db2.gz CEXIWFMVHXOYMQ-UHFFFAOYSA-N 0 3 271.307 3.392 20 30 CGEDHN CC(C)[C@H]1CCCN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140757105 804506564 /nfs/dbraw/zinc/50/65/64/804506564.db2.gz VRQDAIUOTVILMW-OAHLLOKOSA-N 0 3 264.319 3.457 20 30 CGEDHN CN(Cc1sc(N)c(C#N)c1Cl)C[C@H]1CC1(C)C ZINC001141114406 804591421 /nfs/dbraw/zinc/59/14/21/804591421.db2.gz NPQNARNTFMJKJS-MRVPVSSYSA-N 0 3 283.828 3.333 20 30 CGEDHN Cc1cc(Cl)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001141230809 804617198 /nfs/dbraw/zinc/61/71/98/804617198.db2.gz MWOFBYQMDPNLMS-AWEZNQCLSA-N 0 3 293.819 3.423 20 30 CGEDHN CSc1nc(CN2C[C@@H]3CCCC[C@H]3C2)ccc1C#N ZINC001141932107 804679989 /nfs/dbraw/zinc/67/99/89/804679989.db2.gz SVTAPECURBKQFF-KBPBESRZSA-N 0 3 287.432 3.297 20 30 CGEDHN N#Cc1ccc2c(CN3CCCC[C@H](F)C3)c[nH]c2c1 ZINC001142912129 804783042 /nfs/dbraw/zinc/78/30/42/804783042.db2.gz VSOPCMYJQBWVAA-AWEZNQCLSA-N 0 3 271.339 3.364 20 30 CGEDHN CCc1cc(C#N)ccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001248751753 804984125 /nfs/dbraw/zinc/98/41/25/804984125.db2.gz JDJIOZZSUGZZBL-GJWQZFMSSA-N 0 3 279.387 3.387 20 30 CGEDHN C#Cc1ccc(CN(CC)Cc2ccc3c(c2)OCO3)cc1 ZINC001144581073 805010839 /nfs/dbraw/zinc/01/08/39/805010839.db2.gz NCDAYRGPVKQNLD-UHFFFAOYSA-N 0 3 293.366 3.419 20 30 CGEDHN CCO[C@@H]1CCCN(Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249429248 805146482 /nfs/dbraw/zinc/14/64/82/805146482.db2.gz SZJFMEUEAYSMSS-MRXNPFEDSA-N 0 3 283.375 3.040 20 30 CGEDHN N#Cc1ccc2cc(CN3CC[C@H]4OCCC[C@@H]4C3)[nH]c2c1 ZINC001249426323 805146791 /nfs/dbraw/zinc/14/67/91/805146791.db2.gz MIRCUIIBOZQWMZ-CRAIPNDOSA-N 0 3 295.386 3.040 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCCC(C)(C)C ZINC001153581349 805404307 /nfs/dbraw/zinc/40/43/07/805404307.db2.gz SYEQWLLBSPUXCK-MRXNPFEDSA-N 0 3 294.483 3.443 20 30 CGEDHN C=C(CC(C)C)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001154889575 805505792 /nfs/dbraw/zinc/50/57/92/805505792.db2.gz QPIRYMAMKWQLOU-OAHLLOKOSA-N 0 3 278.440 3.064 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257645981 807204392 /nfs/dbraw/zinc/20/43/92/807204392.db2.gz JLNDLLCVGIODDG-MELADBBJSA-N 0 3 295.427 3.056 20 30 CGEDHN CC(C)(C)C#CCN[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257953178 807254758 /nfs/dbraw/zinc/25/47/58/807254758.db2.gz OLAKYPMWIAEOKE-AWEZNQCLSA-N 0 3 277.795 3.283 20 30 CGEDHN CCCCCCC[C@H](C)n1cnc(CN)c1C(=O)OCC ZINC001258042763 807272248 /nfs/dbraw/zinc/27/22/48/807272248.db2.gz XXZZOIGEXTXUGR-ZDUSSCGKSA-N 0 3 295.427 3.440 20 30 CGEDHN CCCCCCC[C@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258043159 807274073 /nfs/dbraw/zinc/27/40/73/807274073.db2.gz KEEHPNWWYNYGRW-IHRRRGAJSA-N 0 3 272.433 3.245 20 30 CGEDHN COc1ccc2c(c1)C[C@@H](N(CCC#N)C1CCCC1)C2 ZINC001168271057 807369048 /nfs/dbraw/zinc/36/90/48/807369048.db2.gz BYZGDZUCRMMULE-KRWDZBQOSA-N 0 3 284.403 3.321 20 30 CGEDHN CCCCC[C@@H](CC)NCc1ncc(C#N)s1 ZINC001258439203 807451350 /nfs/dbraw/zinc/45/13/50/807451350.db2.gz SFPRFFNDZJAHMW-LLVKDONJSA-N 0 3 251.399 3.463 20 30 CGEDHN N#Cc1ccccc1CNC1CCN(c2ccccc2)CC1 ZINC001258504607 807480756 /nfs/dbraw/zinc/48/07/56/807480756.db2.gz KTWSTADFLGJMCK-UHFFFAOYSA-N 0 3 291.398 3.317 20 30 CGEDHN C#CCN(C)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258682426 807541498 /nfs/dbraw/zinc/54/14/98/807541498.db2.gz MLBWQISUIOEMTP-JTQLQIEISA-N 0 3 256.176 3.489 20 30 CGEDHN C=CCN(CC=C)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168863978 807533036 /nfs/dbraw/zinc/53/30/36/807533036.db2.gz LENKQHSFIPEPFX-ZIAGYGMSSA-N 0 3 280.412 3.058 20 30 CGEDHN C#CCN(CC#C)[C@@H](Cc1ccccc1)CC(C)C ZINC001169086597 807571656 /nfs/dbraw/zinc/57/16/56/807571656.db2.gz VDDKYWCZNLZAIK-GOSISDBHSA-N 0 3 253.389 3.212 20 30 CGEDHN C=CCC[C@@H](C)NCc1cn(Cc2ccccc2OC)cn1 ZINC001258723666 807572101 /nfs/dbraw/zinc/57/21/01/807572101.db2.gz BSCJSUBPBFWOOR-OAHLLOKOSA-N 0 3 299.418 3.384 20 30 CGEDHN C=CCC[C@@H](C)NCC(=O)c1cc(F)cc(F)c1 ZINC001258725327 807573533 /nfs/dbraw/zinc/57/35/33/807573533.db2.gz IXEBWJVOEQZVCT-SNVBAGLBSA-N 0 3 253.292 3.092 20 30 CGEDHN C=CCC[C@@H](C)N1CCc2cnc(C3CC3)nc2C1 ZINC001258735956 807581611 /nfs/dbraw/zinc/58/16/11/807581611.db2.gz GRMAKPKICLGQBN-GFCCVEGCSA-N 0 3 257.381 3.067 20 30 CGEDHN C=CCC[C@@H](C)N(C)Cc1cn2ccc(C)cc2n1 ZINC001258735809 807581811 /nfs/dbraw/zinc/58/18/11/807581811.db2.gz CLCGIUXZTMCLSS-CQSZACIVSA-N 0 3 257.381 3.429 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H]1COC2(CCCCC2)O1 ZINC001169862317 807717355 /nfs/dbraw/zinc/71/73/55/807717355.db2.gz DNLICXHBNFLPQJ-LSDHHAIUSA-N 0 3 265.397 3.103 20 30 CGEDHN CC1(C)CC(NCC#Cc2ccccc2)CC(C)(C)N1O ZINC001169981302 807733164 /nfs/dbraw/zinc/73/31/64/807733164.db2.gz UCLOMFAGCFFKIL-UHFFFAOYSA-N 0 3 286.419 3.039 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC001263084174 807931953 /nfs/dbraw/zinc/93/19/53/807931953.db2.gz LJHMWYLQVSJKOT-AWEZNQCLSA-N 0 3 292.810 3.129 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cccc(F)c3C2)CCCC1 ZINC001170947448 807942362 /nfs/dbraw/zinc/94/23/62/807942362.db2.gz WTUZCEGGXDSOTF-AWEZNQCLSA-N 0 3 272.367 3.357 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022032 807962249 /nfs/dbraw/zinc/96/22/49/807962249.db2.gz IVZCOJAPFOQNEM-CHWSQXEVSA-N 0 3 262.784 3.479 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001263616273 807977882 /nfs/dbraw/zinc/97/78/82/807977882.db2.gz RSFJYRVOEQPABN-XQQFMLRXSA-N 0 3 299.761 3.053 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCC(=O)c1ccc(F)cc1 ZINC001171180570 808002148 /nfs/dbraw/zinc/00/21/48/808002148.db2.gz BHULGJJRMAZFCN-CYBMUJFWSA-N 0 3 296.345 3.101 20 30 CGEDHN N#Cc1coc(CN[C@H]2CCc3c(F)cc(F)cc3C2)c1 ZINC001171361127 808035414 /nfs/dbraw/zinc/03/54/14/808035414.db2.gz UEPUBJPIPWBNKL-ZDUSSCGKSA-N 0 3 288.297 3.077 20 30 CGEDHN N#C[C@@H]1CCCN([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382713 808040650 /nfs/dbraw/zinc/04/06/50/808040650.db2.gz CYIVQXUHVGLZHR-DOMZBBRYSA-N 0 3 290.357 3.448 20 30 CGEDHN C#C[C@@H]1CCCN(CCOc2ccc(F)c(Cl)c2)C1 ZINC001171573904 808101854 /nfs/dbraw/zinc/10/18/54/808101854.db2.gz WGBFTWSXAQMEJC-GFCCVEGCSA-N 0 3 281.758 3.203 20 30 CGEDHN N#Cc1ccc2c(c1)CCN([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001171793200 808142109 /nfs/dbraw/zinc/14/21/09/808142109.db2.gz KIBYNDVNDKDILO-QGZVFWFLSA-N 0 3 292.357 3.223 20 30 CGEDHN C(#Cc1ccccc1)CN[C@H]1CSc2ccccc2C1 ZINC001172198929 808196547 /nfs/dbraw/zinc/19/65/47/808196547.db2.gz YGHRVIIYOGMYDN-QGZVFWFLSA-N 0 3 279.408 3.345 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCC[C@H]1[C@@H](C)NCCF ZINC001265995933 808199896 /nfs/dbraw/zinc/19/98/96/808199896.db2.gz AAJBHVKBRSYNDB-ZBFHGGJFSA-N 0 3 296.430 3.084 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)N[C@H]1COC(C)(C)C1 ZINC001172278064 808211223 /nfs/dbraw/zinc/21/12/23/808211223.db2.gz QRWIBNHOZSFUKK-UONOGXRCSA-N 0 3 275.392 3.470 20 30 CGEDHN CCCCCCC[C@@H](CC)N[C@@H]1C=CS(=O)(=O)C1 ZINC001172345880 808243942 /nfs/dbraw/zinc/24/39/42/808243942.db2.gz DUUPKVVUNZWKFR-ZIAGYGMSSA-N 0 3 273.442 3.026 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001266475902 808272054 /nfs/dbraw/zinc/27/20/54/808272054.db2.gz OQQNLGKDJFZQFQ-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001266514449 808280684 /nfs/dbraw/zinc/28/06/84/808280684.db2.gz CMUVDUSAXDILNE-HNNXBMFYSA-N 0 3 298.386 3.090 20 30 CGEDHN CCCCN(CCC#N)[C@@H](C)CCOCC(C)C ZINC001172468837 808337097 /nfs/dbraw/zinc/33/70/97/808337097.db2.gz NYWMDJYIKWIJBO-HNNXBMFYSA-N 0 3 254.418 3.453 20 30 CGEDHN C[C@H](CCCC#N)NCc1cc(F)cnc1Cl ZINC001172489206 808349474 /nfs/dbraw/zinc/34/94/74/808349474.db2.gz OXIIPRYUQOGCDV-SECBINFHSA-N 0 3 255.724 3.046 20 30 CGEDHN CCCCCCC[C@@H](CCC)N1CCO[C@@H](CO)C1 ZINC001172507864 808363810 /nfs/dbraw/zinc/36/38/10/808363810.db2.gz BZZJMHHPEHSJQS-HZPDHXFCSA-N 0 3 271.445 3.209 20 30 CGEDHN C=C(C)CN(CCNC(=O)C(C)(C)C1CCCC1)C1CC1 ZINC001267327248 808415183 /nfs/dbraw/zinc/41/51/83/808415183.db2.gz HDYGZDXRJDBVGQ-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN Cc1ccc2c(c1)C[C@@H](NC(=N)c1ccc(Cl)cn1)CC2 ZINC001172834664 808451342 /nfs/dbraw/zinc/45/13/42/808451342.db2.gz HRLGLFKXCULJLQ-HNNXBMFYSA-N 0 3 299.805 3.306 20 30 CGEDHN CC(C)C[C@H]([NH2+]C1CCC2(CCCCC2)CC1)C(=O)N[O-] ZINC001173117753 808515302 /nfs/dbraw/zinc/51/53/02/808515302.db2.gz MQEWAMNNLXHNDI-HNNXBMFYSA-N 0 3 296.455 3.389 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1ccsc1 ZINC001268589515 808599722 /nfs/dbraw/zinc/59/97/22/808599722.db2.gz ZZWQZPTVKKAQOQ-WLMCBFPDSA-N 0 3 292.448 3.112 20 30 CGEDHN CCCCCCCC[C@@H](CCC)NC1(CO)COC1 ZINC001173309751 808605539 /nfs/dbraw/zinc/60/55/39/808605539.db2.gz KSUWFNMIUAFUEC-OAHLLOKOSA-N 0 3 271.445 3.257 20 30 CGEDHN C=CCOC1CCC(NCc2ncc(C)s2)CC1 ZINC001173318188 808610093 /nfs/dbraw/zinc/61/00/93/808610093.db2.gz QXRPVRABLJRAAX-UHFFFAOYSA-N 0 3 266.410 3.055 20 30 CGEDHN N#CCC1CCC(NCc2nnc(-c3ccccc3)o2)CC1 ZINC001173326334 808612938 /nfs/dbraw/zinc/61/29/38/808612938.db2.gz XXNBPZXGVDBNEW-UHFFFAOYSA-N 0 3 296.374 3.299 20 30 CGEDHN CC1(C#N)CCC(NCC(=O)c2ccccc2F)CC1 ZINC001173586295 808646234 /nfs/dbraw/zinc/64/62/34/808646234.db2.gz NNBFRJQDQPDZTI-UHFFFAOYSA-N 0 3 274.339 3.070 20 30 CGEDHN COc1ccc2c(c1)c(CN)nn2C1CCC(C)(C#N)CC1 ZINC001173593254 808649695 /nfs/dbraw/zinc/64/96/95/808649695.db2.gz KNNBPACXLRPIJO-UHFFFAOYSA-N 0 3 298.390 3.149 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](CC)CCCCC)C1 ZINC001269296802 808666282 /nfs/dbraw/zinc/66/62/82/808666282.db2.gz RKWNCWWAOJEVAT-IRXDYDNUSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001269317979 808669512 /nfs/dbraw/zinc/66/95/12/808669512.db2.gz IMMOMMAYBOTMCC-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(Cl)CNC[C@@]1(NC(=O)CCC)CCCC[C@H]1C ZINC001269656702 808695067 /nfs/dbraw/zinc/69/50/67/808695067.db2.gz FHEAJVXILSGXHJ-DOMZBBRYSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001271016460 808758661 /nfs/dbraw/zinc/75/86/61/808758661.db2.gz GTTHCLYJBYDMOT-INIZCTEOSA-N 0 3 280.456 3.217 20 30 CGEDHN Cc1ncc(C#N)cc1Nc1ccccc1CN(C)C ZINC001173930552 808770052 /nfs/dbraw/zinc/77/00/52/808770052.db2.gz VZVCIKYZRKFAOM-UHFFFAOYSA-N 0 3 266.348 3.067 20 30 CGEDHN C=C/C(C)=C/CC(=O)N1CC[C@@H](CCNCC(=C)Cl)C1 ZINC001272523349 808815827 /nfs/dbraw/zinc/81/58/27/808815827.db2.gz FHQIBIANBDCKIP-DTHCKZEYSA-N 0 3 296.842 3.090 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCC2CC2)cc1 ZINC001272692717 808821255 /nfs/dbraw/zinc/82/12/55/808821255.db2.gz WVECVDVYPHENOU-OAHLLOKOSA-N 0 3 298.430 3.167 20 30 CGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001275131886 808914278 /nfs/dbraw/zinc/91/42/78/808914278.db2.gz ZRGOGNMHICYQBJ-CALCHBBNSA-N 0 3 290.455 3.029 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001276900196 809041108 /nfs/dbraw/zinc/04/11/08/809041108.db2.gz QSTKXWPZVBCTOE-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001276971084 809051071 /nfs/dbraw/zinc/05/10/71/809051071.db2.gz YDDVXGUXVYYXQZ-OAHLLOKOSA-N 0 3 291.439 3.098 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@]1(C)CC=CCC1 ZINC001277193077 809062389 /nfs/dbraw/zinc/06/23/89/809062389.db2.gz APGWOZFWVHIPJQ-GOEBONIOSA-N 0 3 298.858 3.360 20 30 CGEDHN CCCCCCCCN1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001277231569 809064273 /nfs/dbraw/zinc/06/42/73/809064273.db2.gz NZJUQTAMVJUSKO-MRXNPFEDSA-N 0 3 290.451 3.067 20 30 CGEDHN Cc1cnccc1Nc1c(C)cc(C#N)cc1Cl ZINC001174537496 809069162 /nfs/dbraw/zinc/06/91/62/809069162.db2.gz IAGVLNTWVPOUJO-UHFFFAOYSA-N 0 3 257.724 3.389 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CC12CCCC2 ZINC001277335146 809069545 /nfs/dbraw/zinc/06/95/45/809069545.db2.gz IOKOJEARXYTUDJ-ZIAGYGMSSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NC[C@@H](F)CC)CCCC1 ZINC001278035898 809113161 /nfs/dbraw/zinc/11/31/61/809113161.db2.gz VRUGWYNDLXIULA-CABCVRRESA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C(=C)C)[C@@H]1C ZINC001278516350 809139421 /nfs/dbraw/zinc/13/94/21/809139421.db2.gz RGABNJRPWZMNQZ-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CCCC ZINC001279539941 809173161 /nfs/dbraw/zinc/17/31/61/809173161.db2.gz DXZQAWNFQRJGKV-GVDBMIGSSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001279669252 809176812 /nfs/dbraw/zinc/17/68/12/809176812.db2.gz WJYLFBIBQNZQTI-INIZCTEOSA-N 0 3 292.467 3.383 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001281572662 809215722 /nfs/dbraw/zinc/21/57/22/809215722.db2.gz ULSWNXUPLCMZOB-JKSUJKDBSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C(=C)C ZINC001281906151 809222494 /nfs/dbraw/zinc/22/24/94/809222494.db2.gz UBCAKJIJFZOTBW-IAGOWNOFSA-N 0 3 298.430 3.147 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCCC1(C)C)C(C)C ZINC001284544948 809309380 /nfs/dbraw/zinc/30/93/80/809309380.db2.gz LPQAFPUICMUTCU-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccc(C)c(C)c1)C(C)C ZINC001284557340 809309400 /nfs/dbraw/zinc/30/94/00/809309400.db2.gz CPEMSJLBGYNCOI-UHFFFAOYSA-N 0 3 288.435 3.272 20 30 CGEDHN CN1CCc2ccc(Nc3cc(F)cc(C#N)c3)cc2C1 ZINC001175688786 809504848 /nfs/dbraw/zinc/50/48/48/809504848.db2.gz DMIVOFJNLDEIHX-UHFFFAOYSA-N 0 3 281.334 3.429 20 30 CGEDHN CN1CCc2ccc(Nc3ccc(F)c(C#N)c3)cc2C1 ZINC001176618826 809731956 /nfs/dbraw/zinc/73/19/56/809731956.db2.gz VSCLHZVBDFAHSN-UHFFFAOYSA-N 0 3 281.334 3.429 20 30 CGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)CC ZINC001177166811 809784055 /nfs/dbraw/zinc/78/40/55/809784055.db2.gz FRTWRHUYYZFEBN-UHFFFAOYSA-N 0 3 286.847 3.147 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001177309925 809793471 /nfs/dbraw/zinc/79/34/71/809793471.db2.gz KTIFBNJKZUDHGQ-JSGCOSHPSA-N 0 3 286.847 3.051 20 30 CGEDHN C=C[C@H](COC)NCc1cccc(Oc2ccccn2)c1 ZINC001178536915 809874087 /nfs/dbraw/zinc/87/40/87/809874087.db2.gz DBSNIORJSZFEII-OAHLLOKOSA-N 0 3 284.359 3.165 20 30 CGEDHN COc1cccc2c1CCC[C@H](NCC1(C#N)CCC1)C2 ZINC001179776207 809944043 /nfs/dbraw/zinc/94/40/43/809944043.db2.gz MDXNTEODKYBOSB-HNNXBMFYSA-N 0 3 284.403 3.226 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC001181315926 810047394 /nfs/dbraw/zinc/04/73/94/810047394.db2.gz SMHKNMOPDXMUDO-AWEZNQCLSA-N 0 3 290.407 3.349 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](CCC)C(C)C)[C@@H]2C1 ZINC001189293363 810555550 /nfs/dbraw/zinc/55/55/50/810555550.db2.gz QWKCOZCLGOGEBN-YESZJQIVSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001189318876 810556680 /nfs/dbraw/zinc/55/66/80/810556680.db2.gz RNOCDQNSWDJKPI-HNNXBMFYSA-N 0 3 292.448 3.055 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)NCCCCCCCC ZINC001191076791 810671669 /nfs/dbraw/zinc/67/16/69/810671669.db2.gz LYJSTEWAFZVQSE-INIZCTEOSA-N 0 3 295.471 3.297 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001191684373 810730631 /nfs/dbraw/zinc/73/06/31/810730631.db2.gz QFGTXHKBLFHSAX-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C#CCCCCCCN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC001191853626 810753129 /nfs/dbraw/zinc/75/31/29/810753129.db2.gz OOGLQRPSZPKWEO-SFHVURJKSA-N 0 3 298.430 3.307 20 30 CGEDHN N#Cc1cccc([C@H](O)CNC2(c3cccc(F)c3)CC2)c1 ZINC001192690481 810817146 /nfs/dbraw/zinc/81/71/46/810817146.db2.gz TTWGUWDKAZIZAI-QGZVFWFLSA-N 0 3 296.345 3.010 20 30 CGEDHN CC[C@H]1CCCC[C@@H]1N(C)Cc1ccncc1C#N ZINC001193459102 810891018 /nfs/dbraw/zinc/89/10/18/810891018.db2.gz APMDNXMXILITDE-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)[C@H](NCc1ccc(Cl)cc1C#N)C(C)(C)O ZINC001194175539 811028027 /nfs/dbraw/zinc/02/80/27/811028027.db2.gz DHAFRKBQXRGFKA-AWEZNQCLSA-N 0 3 280.799 3.097 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC001194912805 811169217 /nfs/dbraw/zinc/16/92/17/811169217.db2.gz JTZMXLZZYLXRFJ-OAHLLOKOSA-N 0 3 298.496 3.019 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N1CCC[C@@H](C2CCCCC2)C1 ZINC001196411191 811341997 /nfs/dbraw/zinc/34/19/97/811341997.db2.gz ZSCLWRACDAFYGX-CVEARBPZSA-N 0 3 279.424 3.396 20 30 CGEDHN COc1ccc(C#N)cc1Nc1ccc2c(c1)CN(C)CC2 ZINC001201592212 811917240 /nfs/dbraw/zinc/91/72/40/811917240.db2.gz WFAUSUIUFZJRBG-UHFFFAOYSA-N 0 3 293.370 3.298 20 30 CGEDHN CCCCCCCN1CCN(c2cccnc2)CC1 ZINC001201761597 811963453 /nfs/dbraw/zinc/96/34/53/811963453.db2.gz LQDMXVQVQZTXKG-UHFFFAOYSA-N 0 3 261.413 3.174 20 30 CGEDHN CCCCCCCCN1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001201813026 811966569 /nfs/dbraw/zinc/96/65/69/811966569.db2.gz AKDZVJBNNLTCMQ-MRXNPFEDSA-N 0 3 293.455 3.326 20 30 CGEDHN CCCCCCCCCN1Cc2ccnn2CC[C@H]1CO ZINC001201852981 811972891 /nfs/dbraw/zinc/97/28/91/811972891.db2.gz VULFWQNUECVTCJ-KRWDZBQOSA-N 0 3 293.455 3.200 20 30 CGEDHN C=CCOCc1ncn2c1CN(CCC(C)(C)C)CCC2 ZINC001202065100 812009032 /nfs/dbraw/zinc/00/90/32/812009032.db2.gz IUSSHVAPGKOKCF-UHFFFAOYSA-N 0 3 291.439 3.228 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC001202812216 812179667 /nfs/dbraw/zinc/17/96/67/812179667.db2.gz KLIYZTPXCJDZMK-UHFFFAOYSA-N 0 3 287.366 3.143 20 30 CGEDHN COc1ccc(CN2CCC(CC#N)CC2)c(OC)c1C ZINC001204262507 812590890 /nfs/dbraw/zinc/59/08/90/812590890.db2.gz SFEVSFIWQAMUSF-UHFFFAOYSA-N 0 3 288.391 3.138 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)cc1 ZINC001204297657 812603683 /nfs/dbraw/zinc/60/36/83/812603683.db2.gz MMOWIAIKEKCEGC-FUHWJXTLSA-N 0 3 287.403 3.252 20 30 CGEDHN CO[C@]1(C)C[C@H](N(C)Cc2csc(C#N)c2)C1(C)C ZINC001204359810 812620505 /nfs/dbraw/zinc/62/05/05/812620505.db2.gz RJIZUIPUZXPCHH-DZGCQCFKSA-N 0 3 278.421 3.255 20 30 CGEDHN C#C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001205974842 813149459 /nfs/dbraw/zinc/14/94/59/813149459.db2.gz UMGCKNHNMBEGDH-KRWDZBQOSA-N 0 3 298.317 3.241 20 30 CGEDHN O=C1C=C2CN(Cc3cccc(C(F)F)c3)CCC2S1 ZINC001207128563 813492820 /nfs/dbraw/zinc/49/28/20/813492820.db2.gz QBLAINILVZJEMK-CYBMUJFWSA-N 0 3 295.354 3.398 20 30 CGEDHN N#CCC1CN(C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207178521 813506769 /nfs/dbraw/zinc/50/67/69/813506769.db2.gz VNDNYUGUHUMCTC-UKRRQHHQSA-N 0 3 260.768 3.289 20 30 CGEDHN CC(C)(O)CCCC1=CC[C@H](CN2CC[C@H](C#N)C2)CC1 ZINC001207413866 813558523 /nfs/dbraw/zinc/55/85/23/813558523.db2.gz STQKMFXGKGDTEM-DLBZAZTESA-N 0 3 290.451 3.500 20 30 CGEDHN C[C@H](CCCC(C)(C)O)CCN1CC[C@](C)(C#N)C1 ZINC001207683203 813635771 /nfs/dbraw/zinc/63/57/71/813635771.db2.gz NLFWXMFKZMYRGR-GDBMZVCRSA-N 0 3 266.429 3.189 20 30 CGEDHN CC#CCN(C)Cc1c(C)cc(C)c(COC)c1C ZINC001207716390 813640395 /nfs/dbraw/zinc/64/03/95/813640395.db2.gz YSSDRUVJNJIHCX-UHFFFAOYSA-N 0 3 259.393 3.213 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCC(F)(F)[C@H](CO)C2)CC1 ZINC001208171495 813725867 /nfs/dbraw/zinc/72/58/67/813725867.db2.gz VAMVGUORIFCMMC-CABCVRRESA-N 0 3 285.378 3.239 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H](NC[C@@H](F)CC)C1 ZINC001208193630 813740016 /nfs/dbraw/zinc/74/00/16/813740016.db2.gz JHKGOFVCOKLLKO-HOTGVXAUSA-N 0 3 296.430 3.084 20 30 CGEDHN N#CC1(c2ccccc2F)CCN(CCC2CC2)CC1 ZINC001208686825 813797161 /nfs/dbraw/zinc/79/71/61/813797161.db2.gz RSFBTSKOGUEDOG-UHFFFAOYSA-N 0 3 272.367 3.483 20 30 CGEDHN N#Cc1cccc(CCCN2CCc3c(O)cccc3C2)c1 ZINC001208843938 813865161 /nfs/dbraw/zinc/86/51/61/813865161.db2.gz BWCDYFDZWFWAQV-UHFFFAOYSA-N 0 3 292.382 3.255 20 30 CGEDHN N#Cc1ccccc1O[C@H]1CCCN(C[C@H]2CCC=CO2)C1 ZINC001208880851 813879267 /nfs/dbraw/zinc/87/92/67/813879267.db2.gz PSYPQIVYVNFQDO-SJORKVTESA-N 0 3 298.386 3.094 20 30 CGEDHN Cc1cc(C#N)c(NC2=CCN(C)CC2)cc1Cl ZINC001208980331 813912676 /nfs/dbraw/zinc/91/26/76/813912676.db2.gz SNMDETQIJMGEOB-UHFFFAOYSA-N 0 3 261.756 3.151 20 30 CGEDHN C=CCCCN1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001209158402 813952001 /nfs/dbraw/zinc/95/20/01/813952001.db2.gz NGWUVEMNTFAKHX-KGLIPLIRSA-N 0 3 280.412 3.036 20 30 CGEDHN C=CCCCN1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001209165170 813955326 /nfs/dbraw/zinc/95/53/26/813955326.db2.gz OEUJNSSYUPOFOF-OAHLLOKOSA-N 0 3 276.399 3.471 20 30 CGEDHN C=CCCCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC001209207335 813968434 /nfs/dbraw/zinc/96/84/34/813968434.db2.gz UBOOYBLRICGRFU-KRWDZBQOSA-N 0 3 259.393 3.286 20 30 CGEDHN C#CCCCN1CCSC[C@@H]1c1ccc(F)cc1 ZINC001209265973 813988235 /nfs/dbraw/zinc/98/82/35/813988235.db2.gz DOPIXSIGZIMPDU-OAHLLOKOSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCCCCCN1CCC(F)(C(=O)OCC)CC1 ZINC001209427092 814028521 /nfs/dbraw/zinc/02/85/21/814028521.db2.gz FUPGMRCRWLTEHN-UHFFFAOYSA-N 0 3 271.376 3.100 20 30 CGEDHN N#Cc1ncccc1Nc1ccnc(C2CCC2)c1 ZINC001210145815 814310373 /nfs/dbraw/zinc/31/03/73/814310373.db2.gz XOVPAIVQUVSGCI-UHFFFAOYSA-N 0 3 250.305 3.359 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCC2CCCCC2)C1 ZINC001210801504 814634226 /nfs/dbraw/zinc/63/42/26/814634226.db2.gz OWESGECLWDUGNZ-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H](NCCF)C2)CCCCC1 ZINC001211213089 814850241 /nfs/dbraw/zinc/85/02/41/814850241.db2.gz KVULUFLHCRHRHU-HNNXBMFYSA-N 0 3 296.430 3.063 20 30 CGEDHN C[C@H]1NC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217906906 815997669 /nfs/dbraw/zinc/99/76/69/815997669.db2.gz JTKWPJHZQIBFKP-ONDOHLBJSA-N 0 3 266.344 3.142 20 30 CGEDHN C[C@@H]1NC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217906905 815997974 /nfs/dbraw/zinc/99/79/74/815997974.db2.gz JTKWPJHZQIBFKP-MLQXJZLRSA-N 0 3 266.344 3.142 20 30 CGEDHN N#Cc1cc(F)c(F)cc1O[C@H]1CNCc2ccccc21 ZINC001218488949 816243372 /nfs/dbraw/zinc/24/33/72/816243372.db2.gz NNUUKNCDMJIUPJ-INIZCTEOSA-N 0 3 286.281 3.060 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCO2 ZINC001218915512 816257744 /nfs/dbraw/zinc/25/77/44/816257744.db2.gz OUXLCKXXLCTNDR-HNNXBMFYSA-N 0 3 288.391 3.024 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C(C)=C\CC ZINC001225147408 816947987 /nfs/dbraw/zinc/94/79/87/816947987.db2.gz OZLPRCDCNGMZPR-XAVULWGNSA-N 0 3 284.831 3.112 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CC/C=C/CCC ZINC001231169958 818050133 /nfs/dbraw/zinc/05/01/33/818050133.db2.gz LRZMMXKKNWIHJE-ROJDOSBLSA-N 0 3 278.440 3.232 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](OCc3ccccc3)C2)c1 ZINC001231659925 818152073 /nfs/dbraw/zinc/15/20/73/818152073.db2.gz XAKUFCAIUAMUAR-FQEVSTJZSA-N 0 3 291.394 3.459 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1 ZINC001231660931 818152421 /nfs/dbraw/zinc/15/24/21/818152421.db2.gz LQWMXKJUPSIXPA-KRWDZBQOSA-N 0 3 299.414 3.222 20 30 CGEDHN CN(Cc1cc2c[nH]ccc-2n1)Cc1cccc(C#N)c1 ZINC001232015145 818233499 /nfs/dbraw/zinc/23/34/99/818233499.db2.gz BPSZAQZSNSSJQM-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C[C@]1(CO)CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232111719 818258957 /nfs/dbraw/zinc/25/89/57/818258957.db2.gz KHLIZRUHWOSZAC-INIZCTEOSA-N 0 3 292.810 3.196 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccn2)s1 ZINC001232844031 818454863 /nfs/dbraw/zinc/45/48/63/818454863.db2.gz LQTIXKZMFBQKIA-CQSZACIVSA-N 0 3 283.400 3.222 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccccn2)s1 ZINC001232844029 818454963 /nfs/dbraw/zinc/45/49/63/818454963.db2.gz LQTIXKZMFBQKIA-AWEZNQCLSA-N 0 3 283.400 3.222 20 30 CGEDHN N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)n1 ZINC001232926362 818475520 /nfs/dbraw/zinc/47/55/20/818475520.db2.gz KUQHZOCNJJXUEF-OKILXGFUSA-N 0 3 275.355 3.040 20 30 CGEDHN Cc1ccc(CN2CC[C@H]3CCC[C@H]3C2)c(C#N)c1 ZINC001232963620 818483976 /nfs/dbraw/zinc/48/39/76/818483976.db2.gz KNNGJYQKPXQNPP-CABCVRRESA-N 0 3 254.377 3.489 20 30 CGEDHN COC(C)(C)[C@@H]1CCCN1Cc1ccc(C)cc1C#N ZINC001232966722 818485745 /nfs/dbraw/zinc/48/57/45/818485745.db2.gz SPRMSTNCNQJSKK-INIZCTEOSA-N 0 3 272.392 3.256 20 30 CGEDHN Cc1ccc(Cl)cc1CN1CCC2SC(=O)C=C2C1 ZINC001233248620 818551857 /nfs/dbraw/zinc/55/18/57/818551857.db2.gz RYANYXKORAFCJO-CQSZACIVSA-N 0 3 293.819 3.423 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC1CCC1 ZINC001233520454 818632420 /nfs/dbraw/zinc/63/24/20/818632420.db2.gz MJNBKYAYAKORIZ-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C#CC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233768450 818702067 /nfs/dbraw/zinc/70/20/67/818702067.db2.gz RJQXHZWMQRPYFM-UHFFFAOYSA-N 0 3 299.292 3.136 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1ccccc1 ZINC001233947257 818737446 /nfs/dbraw/zinc/73/74/46/818737446.db2.gz JVNUJDPOIDEERD-AEFFLSMTSA-N 0 3 298.430 3.084 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C/CCC ZINC001233966624 818742872 /nfs/dbraw/zinc/74/28/72/818742872.db2.gz NPYHIFBKDFNZOL-IJDCCNJMSA-N 0 3 290.451 3.069 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCCC ZINC001234517774 818871745 /nfs/dbraw/zinc/87/17/45/818871745.db2.gz PNZVWLUTGHAOHU-INIZCTEOSA-N 0 3 278.440 3.088 20 30 CGEDHN C#CC1CCN(Cc2ccc(OC)cc2OC(C)C)CC1 ZINC001234727234 818922190 /nfs/dbraw/zinc/92/21/90/818922190.db2.gz LIEMIFYVBVCHDV-UHFFFAOYSA-N 0 3 287.403 3.328 20 30 CGEDHN C#CC1CCN(Cc2cnc(OC(C)C)cc2C)CC1 ZINC001235432979 819096015 /nfs/dbraw/zinc/09/60/15/819096015.db2.gz OFTBBQMWDSLASM-UHFFFAOYSA-N 0 3 272.392 3.022 20 30 CGEDHN CN(C)Cc1ccnc(-c2ccc(C3(C#N)CC3)cc2)c1 ZINC001243421093 823400264 /nfs/dbraw/zinc/40/02/64/823400264.db2.gz QIMKQSZVZOFMSF-UHFFFAOYSA-N 0 3 277.371 3.365 20 30 CGEDHN C=CCCCC[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236820274 819607899 /nfs/dbraw/zinc/60/78/99/819607899.db2.gz JMHGQTWFNZZKNX-UHFFFAOYSA-N 0 3 263.381 3.497 20 30 CGEDHN C=CCCCC[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236820274 819607903 /nfs/dbraw/zinc/60/79/03/819607903.db2.gz JMHGQTWFNZZKNX-UHFFFAOYSA-N 0 3 263.381 3.497 20 30 CGEDHN CC(C)c1ccc(C[NH+]2CCC(S)CC2)c([O-])c1 ZINC001237049286 819651637 /nfs/dbraw/zinc/65/16/37/819651637.db2.gz NCMPBVVEODZZHA-UHFFFAOYSA-N 0 3 265.422 3.410 20 30 CGEDHN C=C(C)CN(CC)Cc1cccc(N2CCCCC2)n1 ZINC001238005696 819910093 /nfs/dbraw/zinc/91/00/93/819910093.db2.gz ZORZXIMNEXOPIY-UHFFFAOYSA-N 0 3 273.424 3.470 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001238711621 820097396 /nfs/dbraw/zinc/09/73/96/820097396.db2.gz PZEZHSKIKUJIPK-HNNXBMFYSA-N 0 3 286.394 3.271 20 30 CGEDHN CN1CCN(c2cccc(-c3cccc(CC#N)c3)c2)CC1 ZINC001243669087 823480502 /nfs/dbraw/zinc/48/05/02/823480502.db2.gz OFPHGXOYLWYHJQ-UHFFFAOYSA-N 0 3 291.398 3.171 20 30 CGEDHN N#Cc1c(F)cc(-c2cncc3cc[nH]c32)cc1F ZINC001239920419 820699028 /nfs/dbraw/zinc/69/90/28/820699028.db2.gz JEHNAIBBHROLEQ-UHFFFAOYSA-N 0 3 255.227 3.380 20 30 CGEDHN N#CCc1ccnc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240385708 821010622 /nfs/dbraw/zinc/01/06/22/821010622.db2.gz GXJMMUOKEAUOLR-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN N#Cc1ccc(-c2cncc(CN3CCCCC3)c2)cn1 ZINC001241431925 821826253 /nfs/dbraw/zinc/82/62/53/821826253.db2.gz UNHAAFBTAADZRD-UHFFFAOYSA-N 0 3 278.359 3.001 20 30 CGEDHN N#CCc1cc(C2=CCN(Cc3ccccc3)CC2)ccn1 ZINC001241507154 821907566 /nfs/dbraw/zinc/90/75/66/821907566.db2.gz QBEMOJNNFVHOOD-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN CN1CCC=C(c2ccc(C#C[Si](C)(C)C)nc2)C1 ZINC001241570298 821957044 /nfs/dbraw/zinc/95/70/44/821957044.db2.gz GXXPDHWJOLDBIA-UHFFFAOYSA-N 0 3 270.452 3.029 20 30 CGEDHN N#Cc1cc(-c2ccc([C@@H]3CC[NH2+]C3)cc2)ccc1[O-] ZINC001242566539 823036674 /nfs/dbraw/zinc/03/66/74/823036674.db2.gz DTXQMEGFSJHZON-OAHLLOKOSA-N 0 3 264.328 3.008 20 30 CGEDHN CN(Cc1ccc(-c2ccc(F)cc2C#N)nc1)C1CC1 ZINC001242582069 823043611 /nfs/dbraw/zinc/04/36/11/823043611.db2.gz LCAPTRRGXHYHFX-UHFFFAOYSA-N 0 3 281.334 3.354 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(C)cc1 ZINC001344875216 936547821 /nfs/dbraw/zinc/54/78/21/936547821.db2.gz PUGOSVFKECXJIW-MRXNPFEDSA-N 0 3 295.386 3.411 20 30 CGEDHN N#CC(C(=O)c1cnn(C2CCCCC2)c1)c1ccccn1 ZINC001346028071 936834874 /nfs/dbraw/zinc/83/48/74/936834874.db2.gz VEJIYLCRDNSBJT-HNNXBMFYSA-N 0 3 294.358 3.273 20 30 CGEDHN CC(C)[C@]1(C)C[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001350352542 936988810 /nfs/dbraw/zinc/98/88/10/936988810.db2.gz FCVIMDOFHUKDPT-PGUXBMHVSA-N 0 3 278.302 3.218 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H]1CCC[C@H](F)C1 ZINC001352865360 937051837 /nfs/dbraw/zinc/05/18/37/937051837.db2.gz ZJCTWUIYVFICLB-RYUDHWBXSA-N 0 3 250.292 3.068 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)CC[C@H](C)c1ccccc1 ZINC001480921779 926795894 /nfs/dbraw/zinc/79/58/94/926795894.db2.gz URYGHHKRGRPHGX-INIZCTEOSA-N 0 3 288.435 3.194 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2sccc2F)C1 ZINC001481701243 927063059 /nfs/dbraw/zinc/06/30/59/927063059.db2.gz GASXQDKIMLJHPJ-NWDGAFQWSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001481750411 927078749 /nfs/dbraw/zinc/07/87/49/927078749.db2.gz MALLPBVWEZIHIC-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC001357367942 937171108 /nfs/dbraw/zinc/17/11/08/937171108.db2.gz NQUWAZAJIQPYNW-ZDUSSCGKSA-N 0 3 295.814 3.028 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(SCC)cc1 ZINC001358037802 937185819 /nfs/dbraw/zinc/18/58/19/937185819.db2.gz OZADPOASSIGUEW-OAHLLOKOSA-N 0 3 292.448 3.098 20 30 CGEDHN CC#CCNC1(CNC(=O)c2ccccc2C(C)C)CCC1 ZINC001484637276 927734248 /nfs/dbraw/zinc/73/42/48/927734248.db2.gz XFETUHVRTMWZEF-UHFFFAOYSA-N 0 3 298.430 3.075 20 30 CGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2C1 ZINC001484874133 927763557 /nfs/dbraw/zinc/76/35/57/927763557.db2.gz GFDGZCNSIMZYEZ-KDOFPFPSSA-N 0 3 298.430 3.241 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)C(C)=C2CCCC2)C1 ZINC001485089023 927804365 /nfs/dbraw/zinc/80/43/65/927804365.db2.gz SNLGWZXFLQFMLM-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN CCCCCCCCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000144365535 928080337 /nfs/dbraw/zinc/08/03/37/928080337.db2.gz CRSRCNYLPQJRFA-HNNXBMFYSA-N 0 3 280.456 3.480 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C(C)=C/CC)C1 ZINC001489224739 928321565 /nfs/dbraw/zinc/32/15/65/928321565.db2.gz JWQJDGFZYTUYTE-XETPBLJFSA-N 0 3 298.858 3.456 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CC23CC3)CC1 ZINC001490619304 928379299 /nfs/dbraw/zinc/37/92/99/928379299.db2.gz YKYNUFKMVSNCEP-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C=C ZINC001490791619 928389961 /nfs/dbraw/zinc/38/99/61/928389961.db2.gz LQNCSHHOFLCLTL-IYBDPMFKSA-N 0 3 290.451 3.230 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C)c(C)c1Cl ZINC001492817528 937241799 /nfs/dbraw/zinc/24/17/99/937241799.db2.gz SMWYUCKSSBJANY-UHFFFAOYSA-N 0 3 294.826 3.195 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN(C[C@@H](F)CC)C1 ZINC001491107295 928833867 /nfs/dbraw/zinc/83/38/67/928833867.db2.gz HWUORUZIQXABFC-CABCVRRESA-N 0 3 298.446 3.165 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001455475974 937417785 /nfs/dbraw/zinc/41/77/85/937417785.db2.gz JGEJMSDNDRVAKA-UHFFFAOYSA-N 0 3 288.435 3.470 20 30 CGEDHN C#CCOCCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC001459312669 937485113 /nfs/dbraw/zinc/48/51/13/937485113.db2.gz XOFDEUCLCMNCHR-UHFFFAOYSA-N 0 3 297.320 3.320 20 30 CGEDHN C=CCN1CC[C@H](N2CCC(C3CCCCC3)CC2)C1=O ZINC001460372851 937529385 /nfs/dbraw/zinc/52/93/85/937529385.db2.gz TVMJIUPQWHCCRF-KRWDZBQOSA-N 0 3 290.451 3.066 20 30 CGEDHN C[C@H](COCc1ccccc1)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC001460603152 937536179 /nfs/dbraw/zinc/53/61/79/937536179.db2.gz AXOJKSZFDGNRCL-CGTJXYLNSA-N 0 3 286.419 3.463 20 30 CGEDHN C#CCN(CCOCC1CC1)[C@@H]1CCCc2ccccc21 ZINC001460823484 937547147 /nfs/dbraw/zinc/54/71/47/937547147.db2.gz BUCRGLAPKFOIRM-LJQANCHMSA-N 0 3 283.415 3.426 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@H](Cc2nc(C)cs2)C1 ZINC001460825530 937547447 /nfs/dbraw/zinc/54/74/47/937547447.db2.gz BNWTUSCEDLQKQQ-UONOGXRCSA-N 0 3 262.422 3.118 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CC2CCC1CC2 ZINC001492133778 932808933 /nfs/dbraw/zinc/80/89/33/932808933.db2.gz RBZOKTIJAAPTIB-URGYJCLVSA-N 0 3 298.858 3.050 20 30 CGEDHN C#Cc1ccc(CN2CC(c3ccc(F)cc3)C2)cc1 ZINC001462316828 937631824 /nfs/dbraw/zinc/63/18/24/937631824.db2.gz RXGQTISGBIXFTH-UHFFFAOYSA-N 0 3 265.331 3.406 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001307597620 932974688 /nfs/dbraw/zinc/97/46/88/932974688.db2.gz PFTHJJUTPOBKBO-DDTOSNHZSA-N 0 3 262.303 3.206 20 30 CGEDHN C#CCN(CC[C@H](C)c1ccccc1)C1CSC1 ZINC001462521461 937647342 /nfs/dbraw/zinc/64/73/42/937647342.db2.gz WZTXKEXBCMUNPH-AWEZNQCLSA-N 0 3 259.418 3.231 20 30 CGEDHN C=CCC1(NCc2cnn(-c3ccccc3)n2)CCCC1 ZINC001307934307 933024171 /nfs/dbraw/zinc/02/41/71/933024171.db2.gz UXRZILOCKQZVSF-UHFFFAOYSA-N 0 3 282.391 3.246 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC001316993911 933507861 /nfs/dbraw/zinc/50/78/61/933507861.db2.gz GGQIWPVUMTTZKY-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)/C=C(/C)CC ZINC001317422290 933591049 /nfs/dbraw/zinc/59/10/49/933591049.db2.gz SBBMZXJZLXCNBS-HVCHUGMYSA-N 0 3 298.858 3.456 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CC/C=C\CC)C2)C1 ZINC001317944823 933666991 /nfs/dbraw/zinc/66/69/91/933666991.db2.gz RRQGMZLAFQXKAK-OGZRUICASA-N 0 3 290.451 3.280 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCCCC ZINC001318209816 933697160 /nfs/dbraw/zinc/69/71/60/933697160.db2.gz QCUILIFUGHXIQY-HOTGVXAUSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCO[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001320160832 934011217 /nfs/dbraw/zinc/01/12/17/934011217.db2.gz RWTPYJCJGSDIRC-UKRRQHHQSA-N 0 3 290.363 3.241 20 30 CGEDHN Cc1ccc([C@H](C)NCc2cccc(OCC#N)c2)c(C)n1 ZINC001323396681 934395133 /nfs/dbraw/zinc/39/51/33/934395133.db2.gz KVZBLZCNIVMQLG-AWEZNQCLSA-N 0 3 295.386 3.452 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001324656967 934542299 /nfs/dbraw/zinc/54/22/99/934542299.db2.gz OXYQPKAUNBYVRE-SJLPKXTDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001473493732 937808965 /nfs/dbraw/zinc/80/89/65/937808965.db2.gz IJHWQVZQTJBYTB-CYBMUJFWSA-N 0 3 264.800 3.427 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)CC)c1ccccc1CC ZINC001325363088 934907405 /nfs/dbraw/zinc/90/74/05/934907405.db2.gz PMKSYQUDDYWMJP-WMLDXEAASA-N 0 3 288.435 3.228 20 30 CGEDHN CCN1[C@H](C)CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC001473599508 937813103 /nfs/dbraw/zinc/81/31/03/937813103.db2.gz OGFNCWYDVFYHJH-BETUJISGSA-N 0 3 291.826 3.126 20 30 CGEDHN C#CCCCCCCN(C)CC(=O)N(C)C1CCCCC1 ZINC001473635989 937814570 /nfs/dbraw/zinc/81/45/70/937814570.db2.gz ZELZFXNYJRGGKI-UHFFFAOYSA-N 0 3 292.467 3.293 20 30 CGEDHN C=C(C)CCC(=O)N(C)CCCN(C)Cc1ccsc1 ZINC001327213236 935044394 /nfs/dbraw/zinc/04/43/94/935044394.db2.gz PFDHISYUBHLMTR-UHFFFAOYSA-N 0 3 294.464 3.385 20 30 CGEDHN C=CCO[C@H]1CCN(C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC001327946373 935101121 /nfs/dbraw/zinc/10/11/21/935101121.db2.gz OWOQAEAEYRIIQO-LRDDRELGSA-N 0 3 281.346 3.345 20 30 CGEDHN C=CCO[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001328109039 935118319 /nfs/dbraw/zinc/11/83/19/935118319.db2.gz WQRDKKHSXDZQCJ-XFHJGTJQSA-N 0 3 286.419 3.043 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)CCCCCC(C)C)C[C@@H]1C ZINC001328279512 935128196 /nfs/dbraw/zinc/12/81/96/935128196.db2.gz OQZQZWDFIKNLFG-IRXDYDNUSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@](C)(C=C)CC ZINC001328694482 935160294 /nfs/dbraw/zinc/16/02/94/935160294.db2.gz RTXIYDCHHSEOBY-ZHALLVOQSA-N 0 3 298.430 3.147 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C2CCC2)cc1 ZINC001329459778 935218260 /nfs/dbraw/zinc/21/82/60/935218260.db2.gz LWRKBLNZNJNNFT-CQSZACIVSA-N 0 3 286.419 3.190 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(C)CC=C ZINC001329935321 935254543 /nfs/dbraw/zinc/25/45/43/935254543.db2.gz BGTRKMAKXBNUKI-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN N#CCC1CCN(CCOc2ccc(F)c(Cl)c2)CC1 ZINC001334746383 936111351 /nfs/dbraw/zinc/11/13/51/936111351.db2.gz NEBBVFCUWKEIJZ-UHFFFAOYSA-N 0 3 296.773 3.484 20 30 CGEDHN C=CCO[C@@H]1CCN(c2ccnc3ccc(OC)cc32)C1 ZINC001334982128 936124675 /nfs/dbraw/zinc/12/46/75/936124675.db2.gz LSFBPMYXFKOFIT-CQSZACIVSA-N 0 3 284.359 3.025 20 30 CGEDHN C=C(C)COCCNCc1ccc(C(F)F)c(F)c1 ZINC001334982950 936124693 /nfs/dbraw/zinc/12/46/93/936124693.db2.gz SOESPXQTLLERDD-UHFFFAOYSA-N 0 3 273.298 3.446 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001335919943 936167366 /nfs/dbraw/zinc/16/73/66/936167366.db2.gz KTPGIJDZLFEBSY-NVXWUHKLSA-N 0 3 286.419 3.122 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001473772691 937821121 /nfs/dbraw/zinc/82/11/21/937821121.db2.gz CCPKAOQEDYSFOC-BBRMVZONSA-N 0 3 261.340 3.081 20 30 CGEDHN C#CCCCCCCN1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC001473785348 937821920 /nfs/dbraw/zinc/82/19/20/937821920.db2.gz AGIWZQQKZVQXRN-DOTOQJQBSA-N 0 3 297.414 3.183 20 30 CGEDHN COc1ccccc1/C=C/CNCc1ccc(C#N)s1 ZINC001474185259 937843315 /nfs/dbraw/zinc/84/33/15/937843315.db2.gz PJLXAEAZNDTYRD-GQCTYLIASA-N 0 3 284.384 3.431 20 30 CGEDHN CC#CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001474407655 937857855 /nfs/dbraw/zinc/85/78/55/937857855.db2.gz AXUBQEFYVZOZRX-UHFFFAOYSA-N 0 3 295.382 3.474 20 30 CGEDHN C#C[C@H](NCC1(COC)CCC1)c1ccc(Cl)cc1 ZINC001474557714 937866883 /nfs/dbraw/zinc/86/68/83/937866883.db2.gz UOLNCLZNMQQNKP-HNNXBMFYSA-N 0 3 277.795 3.421 20 30 CGEDHN C=CCCCCCN1CCC[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001479908040 937928871 /nfs/dbraw/zinc/92/88/71/937928871.db2.gz CKGFKEMQUMRHTO-HOTGVXAUSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H](CN(C)C[C@H](F)CC)C1 ZINC001480085417 937932250 /nfs/dbraw/zinc/93/22/50/937932250.db2.gz RBJCDYRULUHGKU-JKSUJKDBSA-N 0 3 298.446 3.261 20 30 CGEDHN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001480332998 937936882 /nfs/dbraw/zinc/93/68/82/937936882.db2.gz VWAURDFFSBSVCD-MSOLQXFVSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001494818201 937956470 /nfs/dbraw/zinc/95/64/70/937956470.db2.gz COHRHWNQDPKKOJ-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCC(=O)N[C@@]1(CNCC(=C)Cl)CCCC[C@@H]1C ZINC001495308033 937958748 /nfs/dbraw/zinc/95/87/48/937958748.db2.gz NXEDKAUZNKQNKU-XJKSGUPXSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CC1(CC(=O)N[C@@H](C)CNC/C=C/Cl)CCCCC1 ZINC001498134300 937967794 /nfs/dbraw/zinc/96/77/94/937967794.db2.gz PAVWTZNLESMMSB-RNVIBTMRSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCN1[C@@H](C)c1ccccc1C ZINC001498944696 937971516 /nfs/dbraw/zinc/97/15/16/937971516.db2.gz QBUSPMDOHSVTGI-JKSUJKDBSA-N 0 3 286.419 3.213 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)CC=C ZINC001499072276 937972342 /nfs/dbraw/zinc/97/23/42/937972342.db2.gz NIWJMLMUVFGVTD-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)CCCCCCCC)CC1 ZINC001502145644 937981583 /nfs/dbraw/zinc/98/15/83/937981583.db2.gz VQESNNXSKVQXLQ-QGZVFWFLSA-N 0 3 292.467 3.341 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)CC1CCCCCC1 ZINC001502379138 937982294 /nfs/dbraw/zinc/98/22/94/937982294.db2.gz WIKLTOIUUWIIRA-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN CC#CCCCC(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001505441792 937985588 /nfs/dbraw/zinc/98/55/88/937985588.db2.gz KQGWYNYWKKIWGT-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN CC#CCN[C@H](C)CN(C)C(=O)CCCC1CCCCC1 ZINC001507153050 937994500 /nfs/dbraw/zinc/99/45/00/937994500.db2.gz LVAFSSMJXOFHGP-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCF)[C@@H]2C)CCC1 ZINC001507386336 937995830 /nfs/dbraw/zinc/99/58/30/937995830.db2.gz UZOQQPRZBNJAGQ-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1occc1Cl)C(C)C ZINC001507831110 937997158 /nfs/dbraw/zinc/99/71/58/937997158.db2.gz BSYYVLVEHXQAQJ-UHFFFAOYSA-N 0 3 298.814 3.292 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001517065064 938011070 /nfs/dbraw/zinc/01/10/70/938011070.db2.gz SBWOEEYLPHPTQK-WFASDCNBSA-N 0 3 299.349 3.412 20 30 CGEDHN C=C(C)CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001519538347 938019650 /nfs/dbraw/zinc/01/96/50/938019650.db2.gz RNBIWXSLYMUQBM-ABAIWWIYSA-N 0 3 295.310 3.432 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001526587271 938056505 /nfs/dbraw/zinc/05/65/05/938056505.db2.gz MNIOXVVXIDZGRN-SDDRHHMPSA-N 0 3 291.782 3.076 20 30 CGEDHN C=C(Br)CN[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001559901862 938238455 /nfs/dbraw/zinc/23/84/55/938238455.db2.gz KOOODGSPBZDQIV-WDEREUQCSA-N 0 3 290.245 3.467 20 30 CGEDHN C=C(C)CCNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001560479785 938259864 /nfs/dbraw/zinc/25/98/64/938259864.db2.gz BLMTVHARDPNIMC-UHFFFAOYSA-N 0 3 287.329 3.294 20 30 CGEDHN C#C[C@@H](NCc1cc(F)cc(OCC)c1)C(C)(C)C ZINC001560862727 938280197 /nfs/dbraw/zinc/28/01/97/938280197.db2.gz BISJYCIAEVZWKW-OAHLLOKOSA-N 0 3 263.356 3.362 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001490798928 957900936 /nfs/dbraw/zinc/90/09/36/957900936.db2.gz NWJFSAMPMYPUPQ-VQHPVUNQSA-N 0 3 292.467 3.308 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)[C@H]1C ZINC001566109240 960879379 /nfs/dbraw/zinc/87/93/79/960879379.db2.gz DVVYSORMWYRDMU-KFWWJZLASA-N 0 3 280.456 3.214 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC001566524646 960952946 /nfs/dbraw/zinc/95/29/46/960952946.db2.gz OHBRXNCFWIWBFB-JSGCOSHPSA-N 0 3 296.798 3.005 20 30 CGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ccoc2)C1 ZINC001566618529 960975180 /nfs/dbraw/zinc/97/51/80/960975180.db2.gz YQFRSWHHWYHFCC-INIZCTEOSA-N 0 3 292.423 3.444 20 30 CGEDHN C=CCN(C)CCNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001567286914 961259505 /nfs/dbraw/zinc/25/95/05/961259505.db2.gz BZRZDOKGETUDPU-UHFFFAOYSA-N 0 3 288.435 3.222 20 30 CGEDHN C=C(C)CCC(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001567284552 961260452 /nfs/dbraw/zinc/26/04/52/961260452.db2.gz MHRVGSJVERXQBH-UHFFFAOYSA-N 0 3 288.435 3.153 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCC ZINC001567853578 961444200 /nfs/dbraw/zinc/44/42/00/961444200.db2.gz BQJFUMDXRPKOQG-ULQDDVLXSA-N 0 3 292.467 3.454 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CC1 ZINC001567861076 961445175 /nfs/dbraw/zinc/44/51/75/961445175.db2.gz IQRFJBXGARMNIP-HOTGVXAUSA-N 0 3 292.467 3.432 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC(C)C ZINC001568374121 961560296 /nfs/dbraw/zinc/56/02/96/961560296.db2.gz MYEYCLQEQJJJGT-CQSZACIVSA-N 0 3 286.847 3.146 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H]2CNC[C@@H](F)CC)CCC1 ZINC001569554300 961795792 /nfs/dbraw/zinc/79/57/92/961795792.db2.gz MGHZQSWZXUTIAS-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001569643330 961815463 /nfs/dbraw/zinc/81/54/63/961815463.db2.gz WQGBEDUHKCWKMU-RHSMWYFYSA-N 0 3 280.456 3.215 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCCC)cc1 ZINC001570029903 961886323 /nfs/dbraw/zinc/88/63/23/961886323.db2.gz KLCAANMLNOWXMV-HNNXBMFYSA-N 0 3 286.419 3.167 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@H]1C ZINC001570449693 961971467 /nfs/dbraw/zinc/97/14/67/961971467.db2.gz TVRCDUWEQGVPCT-HUUCEWRRSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C/C(C)=C\CC(=O)N(C)CC(C)(C)CNCC(=C)Cl ZINC001570681519 962032422 /nfs/dbraw/zinc/03/24/22/962032422.db2.gz XWCIKFFQFPMNOQ-JYRVWZFOSA-N 0 3 298.858 3.336 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](CC)CCC ZINC001570827308 962092387 /nfs/dbraw/zinc/09/23/87/962092387.db2.gz OJSZUERMHLARQJ-CVEARBPZSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001570864201 962102198 /nfs/dbraw/zinc/10/21/98/962102198.db2.gz UIGAXZYQQGFEJR-CYBMUJFWSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)c1ccco1)C(C)C ZINC001571614287 962191213 /nfs/dbraw/zinc/19/12/13/962191213.db2.gz BUKDATPSHAFKSY-OAHLLOKOSA-N 0 3 292.423 3.128 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC(C)=C(C)C)C1 ZINC001571660836 962207353 /nfs/dbraw/zinc/20/73/53/962207353.db2.gz SGSFXCYSGPPWBI-UHFFFAOYSA-N 0 3 284.831 3.064 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC001574901505 962332075 /nfs/dbraw/zinc/33/20/75/962332075.db2.gz KNKLRSUVRRXOLS-ZFWWWQNUSA-N 0 3 266.429 3.097 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC001574901504 962335359 /nfs/dbraw/zinc/33/53/59/962335359.db2.gz KNKLRSUVRRXOLS-DZGCQCFKSA-N 0 3 266.429 3.097 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCCCC2 ZINC001580050965 962688384 /nfs/dbraw/zinc/68/83/84/962688384.db2.gz UJJNEXOHGLFKDQ-KRWDZBQOSA-N 0 3 299.418 3.305 20 30 CGEDHN C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588539441 963282999 /nfs/dbraw/zinc/28/29/99/963282999.db2.gz KZXGRPXAKVYDPD-LBPRGKRZSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588539441 963283011 /nfs/dbraw/zinc/28/30/11/963283011.db2.gz KZXGRPXAKVYDPD-LBPRGKRZSA-N 0 3 285.395 3.120 20 30 CGEDHN COc1cccc(NC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000573342010 334929805 /nfs/dbraw/zinc/92/98/05/334929805.db2.gz GQZOXLUGLIXBGJ-PBHICJAKSA-N 0 3 299.418 3.264 20 30 CGEDHN C=C(C)COCCNCc1ccc(CCC)s1 ZINC000621340357 349501289 /nfs/dbraw/zinc/50/12/89/349501289.db2.gz BSTJVTKLSWYOEN-UHFFFAOYSA-N 0 3 253.411 3.383 20 30 CGEDHN Cc1c(CN(Cc2ccc(C#N)cc2)CC(C)C)cnn1C ZINC000350661300 219045357 /nfs/dbraw/zinc/04/53/57/219045357.db2.gz PKVORWKERCTELR-UHFFFAOYSA-N 0 3 296.418 3.258 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cn3ccccc3n2)C1 ZINC000651668652 398264999 /nfs/dbraw/zinc/26/49/99/398264999.db2.gz SXIFBHRDNGBDBN-ZIAGYGMSSA-N 0 3 255.365 3.169 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000651700259 398271206 /nfs/dbraw/zinc/27/12/06/398271206.db2.gz ZCHKSSDDOZTFOD-BFYDXBDKSA-N 0 3 284.403 3.126 20 30 CGEDHN COCC[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000337945978 214325896 /nfs/dbraw/zinc/32/58/96/214325896.db2.gz FLKBNZYAXATBLG-OAHLLOKOSA-N 0 3 278.371 3.238 20 30 CGEDHN C=CCCCN1CCc2nccc(Br)c2C1 ZINC000623286431 349776026 /nfs/dbraw/zinc/77/60/26/349776026.db2.gz SBUOABLEURYYTP-UHFFFAOYSA-N 0 3 281.197 3.168 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000591503263 346926956 /nfs/dbraw/zinc/92/69/56/346926956.db2.gz QUAWVILLYQWWFW-UHFFFAOYSA-N 0 3 274.261 3.375 20 30 CGEDHN Cc1ccc(C[C@H](C)NC[C@@H](C#N)CCC#N)s1 ZINC000591743539 346934466 /nfs/dbraw/zinc/93/44/66/346934466.db2.gz BPGQNBRBRXEBRS-WCQYABFASA-N 0 3 261.394 3.021 20 30 CGEDHN C=CCCCNCc1ncc(Br)cc1F ZINC000623510372 349823014 /nfs/dbraw/zinc/82/30/14/349823014.db2.gz UFAHGFPWYGBYNF-UHFFFAOYSA-N 0 3 273.149 3.039 20 30 CGEDHN CC[C@@H](C)[C@H]1CCCCN1Cc1ccncc1C#N ZINC000592072542 346960555 /nfs/dbraw/zinc/96/05/55/346960555.db2.gz PQYIJRYFIZQRDJ-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN CCN(Cc1ccncc1C#N)[C@@H]1CCCC[C@H]1C ZINC000592117073 346964393 /nfs/dbraw/zinc/96/43/93/346964393.db2.gz WSESQWBTYLDWNM-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623856263 349896790 /nfs/dbraw/zinc/89/67/90/349896790.db2.gz QLWNIJAUCFBJPO-GOEBONIOSA-N 0 3 293.455 3.047 20 30 CGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)CC(F)F ZINC000592825938 347017728 /nfs/dbraw/zinc/01/77/28/347017728.db2.gz LVOYFLYBOXBKKQ-OCCSQVGLSA-N 0 3 294.345 3.166 20 30 CGEDHN COc1ccc(CN2CCC23CCCC3)cc1C#N ZINC000593037672 347030185 /nfs/dbraw/zinc/03/01/85/347030185.db2.gz BBYVCOVVGDSWHT-UHFFFAOYSA-N 0 3 256.349 3.085 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593118706 347042220 /nfs/dbraw/zinc/04/22/20/347042220.db2.gz RJMIJANRAGDWCN-RISCZKNCSA-N 0 3 262.303 3.350 20 30 CGEDHN CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000160464855 530000085 /nfs/dbraw/zinc/00/00/85/530000085.db2.gz OVNKXVSHNXBFFR-UHFFFAOYSA-N 0 3 254.308 3.329 20 30 CGEDHN CCCCN(CCCC)CC(=O)NC1(C#N)CCCCC1 ZINC000052870404 345109688 /nfs/dbraw/zinc/10/96/88/345109688.db2.gz UJCLGBYHIJMNFL-UHFFFAOYSA-N 0 3 293.455 3.231 20 30 CGEDHN CC(C)(C)CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000057568069 345182443 /nfs/dbraw/zinc/18/24/43/345182443.db2.gz BOHBLXYLTAZIFV-UHFFFAOYSA-N 0 3 285.435 3.112 20 30 CGEDHN CCN(CCn1nc(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000068809214 345364026 /nfs/dbraw/zinc/36/40/26/345364026.db2.gz MBNXOIMCIZCOCS-MRXNPFEDSA-N 0 3 296.418 3.455 20 30 CGEDHN N#Cc1cc(NCCN2CCCCC2)nc2ccccc12 ZINC000069052384 345371595 /nfs/dbraw/zinc/37/15/95/345371595.db2.gz RDQWKXPWBDJEGJ-UHFFFAOYSA-N 0 3 280.375 3.004 20 30 CGEDHN C=CCN(Cc1cnc(C)cn1)CC1CCCCC1 ZINC000069859698 345386340 /nfs/dbraw/zinc/38/63/40/345386340.db2.gz XKRWKGKDBWHMME-UHFFFAOYSA-N 0 3 259.397 3.353 20 30 CGEDHN N#CCSCCCN1CCSC2(CCCCC2)C1 ZINC000079503911 345644248 /nfs/dbraw/zinc/64/42/48/345644248.db2.gz NHUYBAIWNXMZMS-UHFFFAOYSA-N 0 3 284.494 3.385 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nc(C)cs1 ZINC000623977214 349933989 /nfs/dbraw/zinc/93/39/89/349933989.db2.gz KPUPPFHOSGCPAF-XQQFMLRXSA-N 0 3 266.410 3.083 20 30 CGEDHN CC(C)[C@@H](NCc1cccc(C#N)c1)c1cccnc1 ZINC000091283998 345809968 /nfs/dbraw/zinc/80/99/68/345809968.db2.gz CNTXFJYRHWYWLR-QGZVFWFLSA-N 0 3 265.360 3.440 20 30 CGEDHN N#Cc1cccc(Cl)c1N1CCC[C@H](N2CCCC2)C1 ZINC000091453479 345814057 /nfs/dbraw/zinc/81/40/57/345814057.db2.gz AAOXBTRMUQBNJT-AWEZNQCLSA-N 0 3 289.810 3.276 20 30 CGEDHN Cc1ncc([C@H](C)NCCOc2ccc(C#N)cc2)s1 ZINC000090107947 345783297 /nfs/dbraw/zinc/78/32/97/345783297.db2.gz OUTPKHQJTCOYFB-NSHDSACASA-N 0 3 287.388 3.053 20 30 CGEDHN C=CCOc1ccc(CN(C)CC(C)(C)O)cc1Cl ZINC000093414398 345877757 /nfs/dbraw/zinc/87/77/57/345877757.db2.gz BNYPSSODRZRBCE-UHFFFAOYSA-N 0 3 283.799 3.108 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(CC)(CO)CC1 ZINC000093591942 345883295 /nfs/dbraw/zinc/88/32/95/345883295.db2.gz FGPUMUDJXUGHAS-UHFFFAOYSA-N 0 3 289.419 3.236 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@@H](c2cccs2)N(C)C)n1 ZINC000127505510 187311714 /nfs/dbraw/zinc/31/17/14/187311714.db2.gz NEPJNFFOYIUSRE-ZDUSSCGKSA-N 0 3 286.404 3.038 20 30 CGEDHN C=CC[C@H](C)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000134747227 346083761 /nfs/dbraw/zinc/08/37/61/346083761.db2.gz KGDLOVYCBPIBHQ-RYUDHWBXSA-N 0 3 261.365 3.073 20 30 CGEDHN C=CC[C@@H](C)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000134747270 346084359 /nfs/dbraw/zinc/08/43/59/346084359.db2.gz KGDLOVYCBPIBHQ-NEPJUHHUSA-N 0 3 261.365 3.073 20 30 CGEDHN CC1(C#N)CCN(Cc2ccnc3ccccc23)CC1 ZINC000227521078 346310231 /nfs/dbraw/zinc/31/02/31/346310231.db2.gz VYKFJTQUOBRXOP-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN N#CC1(CNC2CCN(c3ccccc3)CC2)CCCC1 ZINC000593652756 347099468 /nfs/dbraw/zinc/09/94/68/347099468.db2.gz KFUUDHGMJMADGI-UHFFFAOYSA-N 0 3 283.419 3.329 20 30 CGEDHN C[C@@H](Cc1ccccc1F)NCC1(C#N)CCCC1 ZINC000593654474 347101134 /nfs/dbraw/zinc/10/11/34/347101134.db2.gz CRHORKKXJRKACJ-ZDUSSCGKSA-N 0 3 260.356 3.430 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCC1(C#N)CCCC1 ZINC000405153526 346602161 /nfs/dbraw/zinc/60/21/61/346602161.db2.gz QIHWLOZNYHZVDC-SJLPKXTDSA-N 0 3 297.446 3.180 20 30 CGEDHN C=CCSCCNCc1cnc(C(F)(F)F)s1 ZINC000443976563 346617812 /nfs/dbraw/zinc/61/78/12/346617812.db2.gz DIGWAVJSBSWFCN-UHFFFAOYSA-N 0 3 282.356 3.171 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc(-c2ccncc2)s1 ZINC000459734704 346624953 /nfs/dbraw/zinc/62/49/53/346624953.db2.gz SOKZCPJMIKZDDT-UHFFFAOYSA-N 0 3 286.404 3.235 20 30 CGEDHN CCc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000593690054 347103919 /nfs/dbraw/zinc/10/39/19/347103919.db2.gz YYZNRPLHBVHESJ-UHFFFAOYSA-N 0 3 256.374 3.472 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCC(F)(F)C1)CC2 ZINC000589342651 346794286 /nfs/dbraw/zinc/79/42/86/346794286.db2.gz AJMATKLEZOHTBU-TZMCWYRMSA-N 0 3 262.303 3.323 20 30 CGEDHN CC[C@H](NCc1cccc(C#N)c1F)[C@H]1CCCCO1 ZINC000594040474 347142448 /nfs/dbraw/zinc/14/24/48/347142448.db2.gz GCDLVCOQCGRLGR-LSDHHAIUSA-N 0 3 276.355 3.135 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCCO1 ZINC000594042123 347143485 /nfs/dbraw/zinc/14/34/85/347143485.db2.gz GRKCKZHKBPTSHN-CVEARBPZSA-N 0 3 276.355 3.135 20 30 CGEDHN CC[C@@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000594088180 347150577 /nfs/dbraw/zinc/15/05/77/347150577.db2.gz PSPYQQXWCLDBBS-KRWDZBQOSA-N 0 3 299.418 3.047 20 30 CGEDHN Cc1cc(CNC[C@@H]2CCC3(CCCC3)O2)ccc1C#N ZINC000594524271 347189668 /nfs/dbraw/zinc/18/96/68/347189668.db2.gz XUNUKEPUZRCPDG-KRWDZBQOSA-N 0 3 284.403 3.448 20 30 CGEDHN COc1ccc(CNC[C@@H](C)c2c(C)noc2C)cc1C#N ZINC000128465261 187372117 /nfs/dbraw/zinc/37/21/17/187372117.db2.gz VYAUYVUOGNQDKK-LLVKDONJSA-N 0 3 299.374 3.065 20 30 CGEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cc2ccccc2o1 ZINC000594427539 347173911 /nfs/dbraw/zinc/17/39/11/347173911.db2.gz VEFHYZJHSGVUHX-TZMCWYRMSA-N 0 3 299.374 3.021 20 30 CGEDHN CC(C)c1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594424689 347173953 /nfs/dbraw/zinc/17/39/53/347173953.db2.gz IGPTXZFXCYDONF-CQSZACIVSA-N 0 3 273.380 3.160 20 30 CGEDHN C[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594435288 347174809 /nfs/dbraw/zinc/17/48/09/347174809.db2.gz AOINXFCMXXKDIQ-HOCLYGCPSA-N 0 3 299.418 3.328 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c(F)c1 ZINC000594509694 347182280 /nfs/dbraw/zinc/18/22/80/347182280.db2.gz KMIYPWCCWHEFMH-IRXDYDNUSA-N 0 3 288.366 3.135 20 30 CGEDHN C[C@@H](NCc1nc(C#N)cs1)C1CCC(F)CC1 ZINC000594989063 347250357 /nfs/dbraw/zinc/25/03/57/347250357.db2.gz GDCBPVIPXOEWAE-KPPDAEKUSA-N 0 3 267.373 3.021 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1F ZINC000594994081 347250785 /nfs/dbraw/zinc/25/07/85/347250785.db2.gz DXHXSSPFKGLMBQ-BPQIPLTHSA-N 0 3 296.320 3.264 20 30 CGEDHN N#CCCCCNCc1cc(F)ccc1OC(F)F ZINC000594926179 347231869 /nfs/dbraw/zinc/23/18/69/347231869.db2.gz NEGQZNASVMYELE-UHFFFAOYSA-N 0 3 272.270 3.211 20 30 CGEDHN C[C@H](COCC1CC1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594951051 347239259 /nfs/dbraw/zinc/23/92/59/347239259.db2.gz XBFDKFMNLBZWMQ-CQSZACIVSA-N 0 3 284.403 3.146 20 30 CGEDHN Cc1ccncc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594969448 347245710 /nfs/dbraw/zinc/24/57/10/347245710.db2.gz QUANNUVCMYLGDZ-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN C=CCC1(NCc2ncc(CSC)s2)CCOCC1 ZINC000594977497 347246834 /nfs/dbraw/zinc/24/68/34/347246834.db2.gz SBRUJHPTDIDVOX-UHFFFAOYSA-N 0 3 298.477 3.221 20 30 CGEDHN Cc1csc(C(C)(C)NCCc2ccc(C#N)cc2)n1 ZINC000595373178 347296652 /nfs/dbraw/zinc/29/66/52/347296652.db2.gz XPCPUHYBNFHBSG-UHFFFAOYSA-N 0 3 285.416 3.391 20 30 CGEDHN Cc1cc(CN[C@H](c2ccccc2)[C@H](C)O)ccc1C#N ZINC000595005908 347254307 /nfs/dbraw/zinc/25/43/07/347254307.db2.gz FTTCAWQONACVHX-KSSFIOAISA-N 0 3 280.371 3.078 20 30 CGEDHN N#CC[C@@H]1CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000595613373 347327229 /nfs/dbraw/zinc/32/72/29/347327229.db2.gz CEEKRHSHGFMSKH-LRDDRELGSA-N 0 3 258.340 3.439 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CC#N)C1 ZINC000595613412 347327890 /nfs/dbraw/zinc/32/78/90/347327890.db2.gz COIFQURFGKVIPW-DZGCQCFKSA-N 0 3 253.349 3.245 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CC#N)C1 ZINC000595623103 347329127 /nfs/dbraw/zinc/32/91/27/347329127.db2.gz HMELHIHTPNOUAF-KGLIPLIRSA-N 0 3 253.349 3.245 20 30 CGEDHN CN(CCCN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595623107 347329769 /nfs/dbraw/zinc/32/97/69/347329769.db2.gz HORMVJHHMIPJBI-MRXNPFEDSA-N 0 3 271.408 3.139 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000595662049 347335012 /nfs/dbraw/zinc/33/50/12/347335012.db2.gz YZNZXASTFXPTET-ZDUSSCGKSA-N 0 3 258.340 3.485 20 30 CGEDHN COC(=O)CN(CCCC(C)(C)C#N)C1CCCCC1 ZINC000595663063 347335658 /nfs/dbraw/zinc/33/56/58/347335658.db2.gz GNGWOIQLEYMSEF-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN C[C@H](CO)[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000595679801 347336249 /nfs/dbraw/zinc/33/62/49/347336249.db2.gz YKWIRYKBGPMZOB-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN CN(CCC1(C#N)CCCCC1)CC1=CCCOC1 ZINC000595747959 347349503 /nfs/dbraw/zinc/34/95/03/347349503.db2.gz QUPWZUXHYMSRJJ-UHFFFAOYSA-N 0 3 262.397 3.129 20 30 CGEDHN COc1cccc([C@]2(C)CCN([C@@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000595771083 347353177 /nfs/dbraw/zinc/35/31/77/347353177.db2.gz ZNNBRSYVWCBSPK-QGPMSJSTSA-N 0 3 284.403 3.351 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000595779072 347355289 /nfs/dbraw/zinc/35/52/89/347355289.db2.gz YSSOHOYHMRNYPR-CVEARBPZSA-N 0 3 299.418 3.169 20 30 CGEDHN C[C@H]1[C@H](C(F)(F)F)CCN1CCc1ccc(C#N)cc1 ZINC000595467521 347307732 /nfs/dbraw/zinc/30/77/32/347307732.db2.gz HMWQNLSZNTYWHX-SMDDNHRTSA-N 0 3 282.309 3.373 20 30 CGEDHN CN(Cc1ccc(C#N)cn1)C[C@@H]1CCc2ccccc21 ZINC000595877812 347369809 /nfs/dbraw/zinc/36/98/09/347369809.db2.gz KFKJNMILQRGAEX-INIZCTEOSA-N 0 3 277.371 3.115 20 30 CGEDHN N#Cc1c(N[C@@H]2CCN(C3CC3)C2)cccc1C(F)F ZINC000596091556 347382622 /nfs/dbraw/zinc/38/26/22/347382622.db2.gz NIFNOVXMNTWERK-SNVBAGLBSA-N 0 3 277.318 3.144 20 30 CGEDHN N#CCCCOc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000597173908 347544286 /nfs/dbraw/zinc/54/42/86/347544286.db2.gz NGMJLOOLKYAHLL-INIZCTEOSA-N 0 3 297.402 3.495 20 30 CGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCCCO1 ZINC000597000158 347526306 /nfs/dbraw/zinc/52/63/06/347526306.db2.gz JCONZFUFYDJTQR-QGZVFWFLSA-N 0 3 284.403 3.243 20 30 CGEDHN CC(C)[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597113104 347536520 /nfs/dbraw/zinc/53/65/20/347536520.db2.gz PFQOFODZDREBTR-GOSISDBHSA-N 0 3 297.446 3.014 20 30 CGEDHN COC(=O)CC(C)(C)C[C@@H](C)NCC1(C#N)CCCC1 ZINC000597157738 347541541 /nfs/dbraw/zinc/54/15/41/347541541.db2.gz JGWFTBLPNXLISD-CYBMUJFWSA-N 0 3 280.412 3.028 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cscn1 ZINC000598014470 347617358 /nfs/dbraw/zinc/61/73/58/347617358.db2.gz GRKZLSOXJMSWHQ-OCCSQVGLSA-N 0 3 299.399 3.093 20 30 CGEDHN COc1nc(C)cc(C)c1CN(C)CCCC(C)(C)C#N ZINC000598647422 347674894 /nfs/dbraw/zinc/67/48/94/347674894.db2.gz CNVVADDMBLUVNT-UHFFFAOYSA-N 0 3 289.423 3.469 20 30 CGEDHN Cc1cccc2c1C[C@H](NCc1ccc(C#N)s1)CO2 ZINC000598986246 347703689 /nfs/dbraw/zinc/70/36/89/347703689.db2.gz GFAQEVSXVQDKIE-LBPRGKRZSA-N 0 3 284.384 3.022 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599084946 347715733 /nfs/dbraw/zinc/71/57/33/347715733.db2.gz GONSPFILBUYUAD-NZSAHSFTSA-N 0 3 296.414 3.483 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccc(F)cc1)C1CC1 ZINC000598584939 347665926 /nfs/dbraw/zinc/66/59/26/347665926.db2.gz JTEKLLARHFTGRT-INIZCTEOSA-N 0 3 290.382 3.091 20 30 CGEDHN CN(Cc1cccc(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598585405 347666775 /nfs/dbraw/zinc/66/67/75/347666775.db2.gz CJSAMSPHBJHHKE-CQSZACIVSA-N 0 3 280.799 3.073 20 30 CGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000598609243 347670543 /nfs/dbraw/zinc/67/05/43/347670543.db2.gz WHFFWMUQJZIPNJ-TZMCWYRMSA-N 0 3 286.375 3.384 20 30 CGEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccn1 ZINC000598622997 347672397 /nfs/dbraw/zinc/67/23/97/347672397.db2.gz QHQNPCBYLRBMDN-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN N#CCc1cccc2c1CCN([C@H]1C=CCCC1)C2 ZINC000599678722 347765194 /nfs/dbraw/zinc/76/51/94/347765194.db2.gz LUGQDQBJOMVYBY-INIZCTEOSA-N 0 3 252.361 3.219 20 30 CGEDHN Cc1ccc(CN[C@H](CCCO)c2ccccc2)cc1C#N ZINC000599355616 347739180 /nfs/dbraw/zinc/73/91/80/347739180.db2.gz CDPDXHZQCWWLTJ-LJQANCHMSA-N 0 3 294.398 3.470 20 30 CGEDHN CC(C)[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000599465757 347746885 /nfs/dbraw/zinc/74/68/85/347746885.db2.gz QITLODDGUGZISW-CZUORRHYSA-N 0 3 290.382 3.167 20 30 CGEDHN CC1(C)CCC[C@](CO)(NCc2cccc(F)c2C#N)C1 ZINC000599597703 347757452 /nfs/dbraw/zinc/75/74/52/347757452.db2.gz WXXJAJXPURTWSH-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN C=CCC1(NCc2cccc(C(=O)OCC)n2)CCCC1 ZINC000600181644 347789741 /nfs/dbraw/zinc/78/97/41/347789741.db2.gz XIBXVHXQXZYQCF-UHFFFAOYSA-N 0 3 288.391 3.237 20 30 CGEDHN CC(F)(F)CCCNCc1cccc(F)c1C#N ZINC000602024431 347933943 /nfs/dbraw/zinc/93/39/43/347933943.db2.gz MQVJTAZRQZQGTA-UHFFFAOYSA-N 0 3 256.271 3.222 20 30 CGEDHN Cc1cccc(C[C@@]2(C)CCCN2C(=O)C(C)C#N)c1 ZINC000601868727 347920686 /nfs/dbraw/zinc/92/06/86/347920686.db2.gz GMBGLXWTLLHFSU-RHSMWYFYSA-N 0 3 270.376 3.078 20 30 CGEDHN Cc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602506704 347972377 /nfs/dbraw/zinc/97/23/77/347972377.db2.gz LGEZPHRIASBUBJ-OAHLLOKOSA-N 0 3 272.392 3.184 20 30 CGEDHN Cc1nc(CNC2CCC(C#N)CC2)nc2ccccc12 ZINC000602526278 347975920 /nfs/dbraw/zinc/97/59/20/347975920.db2.gz GXYLNMQMUJRCKK-UHFFFAOYSA-N 0 3 280.375 3.110 20 30 CGEDHN CC[C@H](NC[C@H](C)CCC#N)c1nc(C)cs1 ZINC000602564792 347983414 /nfs/dbraw/zinc/98/34/14/347983414.db2.gz NXYVNHFZHLILPD-PWSUYJOCSA-N 0 3 251.399 3.432 20 30 CGEDHN C[C@@H](CCC#N)CN[C@@H]1COc2c1cccc2Cl ZINC000602567733 347984003 /nfs/dbraw/zinc/98/40/03/347984003.db2.gz GEWCCIYGXQSQCW-GXFFZTMASA-N 0 3 264.756 3.303 20 30 CGEDHN C[C@H](CCC#N)CNCc1cccc(OC(C)(C)C)n1 ZINC000602577278 347986447 /nfs/dbraw/zinc/98/64/47/347986447.db2.gz GKZFQHSWBBMZKG-CYBMUJFWSA-N 0 3 275.396 3.288 20 30 CGEDHN C=C(C)CNCc1ccc(I)s1 ZINC000602627019 347996903 /nfs/dbraw/zinc/99/69/03/347996903.db2.gz OQNZLITUUVUUGC-UHFFFAOYSA-N 0 3 293.173 3.018 20 30 CGEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000602644148 347999796 /nfs/dbraw/zinc/99/97/96/347999796.db2.gz VQNPFOWWSXOONY-DAXOMENPSA-N 0 3 270.376 3.081 20 30 CGEDHN CSc1ccc(CCNCc2cccc(C#N)n2)cc1 ZINC000602646624 348000735 /nfs/dbraw/zinc/00/07/35/348000735.db2.gz QPPBDNPPQOGKKF-UHFFFAOYSA-N 0 3 283.400 3.007 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CC1(F)F ZINC000602657272 348002790 /nfs/dbraw/zinc/00/27/90/348002790.db2.gz DACAMDFYPPUDKL-GZMMTYOYSA-N 0 3 270.710 3.345 20 30 CGEDHN N#CCC1(CNC2(c3ccc(F)cc3)CCC2)CC1 ZINC000602788293 348029765 /nfs/dbraw/zinc/02/97/65/348029765.db2.gz PQWFWPIOVRHYRI-UHFFFAOYSA-N 0 3 258.340 3.488 20 30 CGEDHN CC(C)[C@@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602543375 347979455 /nfs/dbraw/zinc/97/94/55/347979455.db2.gz CGJRHJVWLLHVOR-ZIAGYGMSSA-N 0 3 257.381 3.258 20 30 CGEDHN C[C@@H](CN(C)C(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000602560788 347982128 /nfs/dbraw/zinc/98/21/28/347982128.db2.gz UICZFIZZJZZBHP-HOCLYGCPSA-N 0 3 293.455 3.072 20 30 CGEDHN Cc1ccc2[nH]c(CNC3CCC(C#N)CC3)nc2c1 ZINC000602563331 347982728 /nfs/dbraw/zinc/98/27/28/347982728.db2.gz YTKOHCVRJPAVLW-UHFFFAOYSA-N 0 3 268.364 3.043 20 30 CGEDHN Cc1ccc2nc(CNC3CCC(C#N)CC3)[nH]c2c1 ZINC000602563331 347982732 /nfs/dbraw/zinc/98/27/32/347982732.db2.gz YTKOHCVRJPAVLW-UHFFFAOYSA-N 0 3 268.364 3.043 20 30 CGEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CC1(CC#N)CC1 ZINC000602841528 348035748 /nfs/dbraw/zinc/03/57/48/348035748.db2.gz OJBXOVZYQHRQTP-MNOVXSKESA-N 0 3 260.303 3.343 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](c3ccc4cccnc4n3)C2)C1 ZINC000602886211 348040892 /nfs/dbraw/zinc/04/08/92/348040892.db2.gz IIAXBJHKRGHEGT-FVQBIDKESA-N 0 3 292.386 3.111 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000606902740 348206315 /nfs/dbraw/zinc/20/63/15/348206315.db2.gz ZGNSPVVFSZURNV-HOTGVXAUSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1CCCC[C@H]1CC ZINC000606902242 348206490 /nfs/dbraw/zinc/20/64/90/348206490.db2.gz FNZXIGNXLQBVEO-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000451460815 535072231 /nfs/dbraw/zinc/07/22/31/535072231.db2.gz AESSJKKXOHGCAO-CFVMTHIKSA-N 0 3 290.794 3.115 20 30 CGEDHN C[C@@H](NCc1cnc2ccccn12)c1cccc(C#N)c1 ZINC000610344931 348377029 /nfs/dbraw/zinc/37/70/29/348377029.db2.gz NFHRRFNDKASVDS-CYBMUJFWSA-N 0 3 276.343 3.057 20 30 CGEDHN CC(C#N)C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000609848240 348354293 /nfs/dbraw/zinc/35/42/93/348354293.db2.gz OBAITGPUILAJNH-AWEZNQCLSA-N 0 3 278.355 3.226 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000609921619 348358390 /nfs/dbraw/zinc/35/83/90/348358390.db2.gz UJGNCXBFNCMPBH-CQSZACIVSA-N 0 3 272.392 3.311 20 30 CGEDHN CCC[C@H]1[C@@H](C)CCCN1Cc1ccnc(C#N)c1 ZINC000610994978 348417513 /nfs/dbraw/zinc/41/75/13/348417513.db2.gz QFLWJMWCWZTDKM-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN CCN1C[C@H](C)N(c2cc(C#N)nc3ccccc32)C[C@@H]1C ZINC000611221998 348428477 /nfs/dbraw/zinc/42/84/77/348428477.db2.gz CCDZSBGQFUJAEL-KBPBESRZSA-N 0 3 294.402 3.025 20 30 CGEDHN CC1CCC(N2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000611267851 348432916 /nfs/dbraw/zinc/43/29/16/348432916.db2.gz IIUFBGPIWGIKNH-NKELODKYSA-N 0 3 297.446 3.448 20 30 CGEDHN C=CCOCCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611543905 348460014 /nfs/dbraw/zinc/46/00/14/348460014.db2.gz IVWOTDXBSQRWIE-UHFFFAOYSA-N 0 3 278.352 3.010 20 30 CGEDHN N#CCCCNCc1c(Cl)ccc2cccnc21 ZINC000612194932 348500786 /nfs/dbraw/zinc/50/07/86/348500786.db2.gz VRWBCBUEJMVGRM-UHFFFAOYSA-N 0 3 259.740 3.282 20 30 CGEDHN CSc1ccccc1C[C@@H](C)NCC(C)(C)C#N ZINC000612584855 348530209 /nfs/dbraw/zinc/53/02/09/348530209.db2.gz DUUROZDIOMJUBB-GFCCVEGCSA-N 0 3 262.422 3.479 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000614407398 348674812 /nfs/dbraw/zinc/67/48/12/348674812.db2.gz PDIVZEZGDMHYEE-QGZVFWFLSA-N 0 3 296.418 3.477 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000358436811 233133176 /nfs/dbraw/zinc/13/31/76/233133176.db2.gz TUZMVJJCUSNTQZ-SGMGOOAPSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCCC1(CNC(=O)CC2CCN(C)CC2)CCCC1 ZINC000617416923 348959453 /nfs/dbraw/zinc/95/94/53/348959453.db2.gz CYEDSLYFBXBURG-UHFFFAOYSA-N 0 3 292.467 3.361 20 30 CGEDHN CO[C@@H]1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358561264 233155101 /nfs/dbraw/zinc/15/51/01/233155101.db2.gz GDQVPSVBFDIXMZ-NORZTCDRSA-N 0 3 276.355 3.163 20 30 CGEDHN COc1ccc(CN(C)C)cc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000618574728 349109346 /nfs/dbraw/zinc/10/93/46/349109346.db2.gz IROAAALKEXUIFE-DZGCQCFKSA-N 0 3 287.407 3.251 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)cc1 ZINC000618741992 349152209 /nfs/dbraw/zinc/15/22/09/349152209.db2.gz OHICFJRYAUMMBQ-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000618807934 349157831 /nfs/dbraw/zinc/15/78/31/349157831.db2.gz YBPMNZUXPSXVRJ-VMGRFDJRSA-N 0 3 265.360 3.218 20 30 CGEDHN C[C@]12C[C@H]1CCC[C@@H]2NCc1ccc(C#N)cc1F ZINC000619723905 349279145 /nfs/dbraw/zinc/27/91/45/349279145.db2.gz OYMAMQOACHXDSK-KBMXLJTQSA-N 0 3 258.340 3.366 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625658924 350194213 /nfs/dbraw/zinc/19/42/13/350194213.db2.gz MURRAGYCOKSFHP-GJZGRUSLSA-N 0 3 295.373 3.471 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000625703174 350199962 /nfs/dbraw/zinc/19/99/62/350199962.db2.gz YZCGKACIAGWMMF-CVEARBPZSA-N 0 3 286.419 3.104 20 30 CGEDHN C=CC[C@H]1CCN(Cc2nc3ccccc3n2CC)C1 ZINC000628405655 350529610 /nfs/dbraw/zinc/52/96/10/350529610.db2.gz QQGSRBMABQNLQB-AWEZNQCLSA-N 0 3 269.392 3.454 20 30 CGEDHN C=CC[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000628490733 350557529 /nfs/dbraw/zinc/55/75/29/350557529.db2.gz FZLXDGXHWKAXKE-RDJZCZTQSA-N 0 3 286.419 3.104 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2c(Br)cnn2C)C1 ZINC000631207884 350992297 /nfs/dbraw/zinc/99/22/97/350992297.db2.gz WKUJQPKBOAVNOX-MNOVXSKESA-N 0 3 298.228 3.017 20 30 CGEDHN Cc1nc(NC[C@H](c2cccc(F)c2)N(C)C)ccc1C#N ZINC000291670032 198056835 /nfs/dbraw/zinc/05/68/35/198056835.db2.gz PYNLTUULDHUNIK-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](CSC)C1 ZINC000292278971 198227990 /nfs/dbraw/zinc/22/79/90/198227990.db2.gz BPXTUULCKCCAIV-CQSZACIVSA-N 0 3 290.432 3.142 20 30 CGEDHN C=CCC[C@@H](NCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000271717945 191288862 /nfs/dbraw/zinc/28/88/62/191288862.db2.gz KVZDTSWGCPJSMG-MRXNPFEDSA-N 0 3 295.448 3.107 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccccc2C(F)(F)F)C1 ZINC000349823905 283067875 /nfs/dbraw/zinc/06/78/75/283067875.db2.gz XDKSMNZGCPQDHD-JQWIXIFHSA-N 0 3 268.282 3.487 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2Cc3ccccc3C3(CC3)C2)C1 ZINC000336573652 283066741 /nfs/dbraw/zinc/06/67/41/283066741.db2.gz VCKBYBNXNXQKGP-DZGCQCFKSA-N 0 3 252.361 3.226 20 30 CGEDHN CC(C)(NC[C@H](O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000271767580 191315164 /nfs/dbraw/zinc/31/51/64/191315164.db2.gz JBXVRBZUFGAODF-KRWDZBQOSA-N 0 3 298.361 3.256 20 30 CGEDHN N#Cc1cccc(C2(NC[C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000271780119 191323043 /nfs/dbraw/zinc/32/30/43/191323043.db2.gz LNGMOBNRPCGEOH-KRWDZBQOSA-N 0 3 296.345 3.010 20 30 CGEDHN C[C@@H](NC[C@](C)(O)c1ccsc1)c1ccc(C#N)cc1 ZINC000271836404 191356601 /nfs/dbraw/zinc/35/66/01/191356601.db2.gz FVLQHKJLRQHPIF-WBMJQRKESA-N 0 3 286.400 3.178 20 30 CGEDHN C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000271868260 191379410 /nfs/dbraw/zinc/37/94/10/191379410.db2.gz MASPPYRFEOVDBC-UGSOOPFHSA-N 0 3 298.361 3.256 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000133378828 283147318 /nfs/dbraw/zinc/14/73/18/283147318.db2.gz PAKPAHVKRXXBMC-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN C[C@H]1CCCC[C@H]1OCCNCc1ccc(C#N)c(F)c1 ZINC000421333476 235801315 /nfs/dbraw/zinc/80/13/15/235801315.db2.gz ODLKEGMTMQWBNT-SUMWQHHRSA-N 0 3 290.382 3.382 20 30 CGEDHN CCOC[C@@H](NCc1ccc(C#N)cc1Cl)C(C)C ZINC000233734418 138510763 /nfs/dbraw/zinc/51/07/63/138510763.db2.gz KSNRWEWJRRAUFN-OAHLLOKOSA-N 0 3 280.799 3.362 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CC1CCC(=O)CC1 ZINC000425530983 236257709 /nfs/dbraw/zinc/25/77/09/236257709.db2.gz GPMWVJDYHFLJKU-CYBMUJFWSA-N 0 3 270.376 3.310 20 30 CGEDHN COCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000426332577 236288391 /nfs/dbraw/zinc/28/83/91/236288391.db2.gz RLTCCCZHTNTYIL-LLVKDONJSA-N 0 3 264.344 3.021 20 30 CGEDHN CC1(C)CCN(Cc2cc(C#N)cs2)CCS1 ZINC000336193749 213012664 /nfs/dbraw/zinc/01/26/64/213012664.db2.gz HEINQGVVRZDNNR-UHFFFAOYSA-N 0 3 266.435 3.337 20 30 CGEDHN C[C@H](CNc1c(C#N)cccc1C#N)N1CCCC[C@@H]1C ZINC000436309476 237079970 /nfs/dbraw/zinc/07/99/70/237079970.db2.gz SGDWULPPPFSTAA-UONOGXRCSA-N 0 3 282.391 3.105 20 30 CGEDHN CC[C@H](CNCc1ccc(C#N)o1)Oc1ccccc1F ZINC000176990252 189019100 /nfs/dbraw/zinc/01/91/00/189019100.db2.gz LGPROIKXFYHWPI-GFCCVEGCSA-N 0 3 288.322 3.238 20 30 CGEDHN CC[C@@H](C)CN(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177859335 189074755 /nfs/dbraw/zinc/07/47/55/189074755.db2.gz NKSNDTOFQQTBBC-CYBMUJFWSA-N 0 3 298.390 3.476 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C12CCC2 ZINC000180729149 189272376 /nfs/dbraw/zinc/27/23/76/189272376.db2.gz HLEWKVWORMIWIU-LSDHHAIUSA-N 0 3 290.432 3.399 20 30 CGEDHN Cc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)o1 ZINC000119580911 370689078 /nfs/dbraw/zinc/68/90/78/370689078.db2.gz YSPQHJALRQIYOB-CYBMUJFWSA-N 0 3 270.332 3.189 20 30 CGEDHN CCN1CCCC[C@@H]1CNc1cc(C#N)ccc1C(C)=O ZINC000302037560 201311817 /nfs/dbraw/zinc/31/18/17/201311817.db2.gz GEQYOYNPVKNHOF-OAHLLOKOSA-N 0 3 285.391 3.047 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)C[C@H](C)C1 ZINC000120560964 370782013 /nfs/dbraw/zinc/78/20/13/370782013.db2.gz STRBXWFBXGXWSF-BETUJISGSA-N 0 3 258.365 3.045 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@H](C)CCSC ZINC000121431833 370861228 /nfs/dbraw/zinc/86/12/28/370861228.db2.gz MVMYJFCTZPRTDA-GFCCVEGCSA-N 0 3 278.421 3.140 20 30 CGEDHN C=CCN(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000121583347 370874950 /nfs/dbraw/zinc/87/49/50/370874950.db2.gz MVWMCGJMQMKHJO-UHFFFAOYSA-N 0 3 287.190 3.440 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C)s2)n1 ZINC000121950157 370902626 /nfs/dbraw/zinc/90/26/26/370902626.db2.gz FLNGGXZVHMDXIO-VIFPVBQESA-N 0 3 277.374 3.067 20 30 CGEDHN C=CCN1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000125533887 370937264 /nfs/dbraw/zinc/93/72/64/370937264.db2.gz KUYVEQVPFQWENF-UHFFFAOYSA-N 0 3 268.360 3.452 20 30 CGEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000026468490 368859397 /nfs/dbraw/zinc/85/93/97/368859397.db2.gz MAQGNGTVHUTXTJ-XJKSGUPXSA-N 0 3 285.391 3.007 20 30 CGEDHN CCc1ccc(CNCc2cccc(C#N)c2)s1 ZINC000037749407 369104834 /nfs/dbraw/zinc/10/48/34/369104834.db2.gz AERSZVVNTGJTDM-UHFFFAOYSA-N 0 3 256.374 3.472 20 30 CGEDHN COc1ccc(CN[C@H]2CC[C@@H](CC#N)C2)c(F)c1 ZINC000574331192 335011224 /nfs/dbraw/zinc/01/12/24/335011224.db2.gz LCKXYSZGXMUFCG-AAEUAGOBSA-N 0 3 262.328 3.006 20 30 CGEDHN C#CCOc1ccccc1CNCCc1ccsc1 ZINC000042374055 369218874 /nfs/dbraw/zinc/21/88/74/369218874.db2.gz NZXAPMLHTDGDHY-UHFFFAOYSA-N 0 3 271.385 3.092 20 30 CGEDHN CCCCCN(CC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000047833888 369328570 /nfs/dbraw/zinc/32/85/70/369328570.db2.gz ZPOATSZJUTYEFU-UHFFFAOYSA-N 0 3 287.407 3.397 20 30 CGEDHN N#Cc1cnc2ccccc2c1NCCN1CCCCC1 ZINC000049575276 369411348 /nfs/dbraw/zinc/41/13/48/369411348.db2.gz DFKVJAMBPPXUJK-UHFFFAOYSA-N 0 3 280.375 3.004 20 30 CGEDHN C=C(C)CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339177 369501235 /nfs/dbraw/zinc/50/12/35/369501235.db2.gz DNRJQCUTOGSFLA-KBPBESRZSA-N 0 3 286.202 3.459 20 30 CGEDHN CCCN(CCC)C(=O)C(C#N)CCc1ccccc1 ZINC000057684388 369545562 /nfs/dbraw/zinc/54/55/62/369545562.db2.gz PLZUFUFFCMVFRY-MRXNPFEDSA-N 0 3 272.392 3.408 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000062016463 369615410 /nfs/dbraw/zinc/61/54/10/369615410.db2.gz CJXJQBLKQSPISD-NXEZZACHSA-N 0 3 250.729 3.019 20 30 CGEDHN C=CCCN(C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000276422472 193324647 /nfs/dbraw/zinc/32/46/47/193324647.db2.gz MQJQVJBOHBUPMM-UHFFFAOYSA-N 0 3 291.782 3.440 20 30 CGEDHN Cc1cc([C@@H](C)NCc2cc(C#N)n(C)c2)ccc1F ZINC000276643309 193412448 /nfs/dbraw/zinc/41/24/48/193412448.db2.gz RFOHUSGTNHYRGI-GFCCVEGCSA-N 0 3 271.339 3.195 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000076737508 369941762 /nfs/dbraw/zinc/94/17/62/369941762.db2.gz NUDQEODGMVXCKB-UONOGXRCSA-N 0 3 292.398 3.289 20 30 CGEDHN CC(=O)Nc1cccc([C@@H](C)NCCC(C)(C)C#N)c1 ZINC000087591380 370028484 /nfs/dbraw/zinc/02/84/84/370028484.db2.gz ZTRULIPMINOHDV-GFCCVEGCSA-N 0 3 273.380 3.235 20 30 CGEDHN C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H](C)C1 ZINC000091893221 370079001 /nfs/dbraw/zinc/07/90/01/370079001.db2.gz KDJISSJKLNAYLH-UONOGXRCSA-N 0 3 282.391 3.074 20 30 CGEDHN COc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CC2 ZINC000092836367 370105129 /nfs/dbraw/zinc/10/51/29/370105129.db2.gz RJMSVZHZQRAUDI-GOSISDBHSA-N 0 3 278.355 3.344 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](n2cccn2)C1 ZINC000092967620 370105731 /nfs/dbraw/zinc/10/57/31/370105731.db2.gz AHBZBONMILKYTM-QGZVFWFLSA-N 0 3 297.402 3.285 20 30 CGEDHN CC(C)N(CCc1nccs1)Cc1ccc(C#N)o1 ZINC000093764181 370158440 /nfs/dbraw/zinc/15/84/40/370158440.db2.gz KPSNBZRHYPSSSM-UHFFFAOYSA-N 0 3 275.377 3.061 20 30 CGEDHN N#Cc1ccc(N2CCN(C[C@H]3CC=CCC3)CC2)c(F)c1 ZINC000512225836 245028317 /nfs/dbraw/zinc/02/83/17/245028317.db2.gz GTXOUZCOQBDLNC-HNNXBMFYSA-N 0 3 299.393 3.176 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](C3CC3)C2)c(OC(F)F)c1 ZINC000344016829 217011324 /nfs/dbraw/zinc/01/13/24/217011324.db2.gz NKUHUHUTMMXVRF-CYBMUJFWSA-N 0 3 292.329 3.392 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)o1)c1ccccc1 ZINC000135146512 371394059 /nfs/dbraw/zinc/39/40/59/371394059.db2.gz CXTKJNVWADICKO-UHFFFAOYSA-N 0 3 254.333 3.219 20 30 CGEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCCO1 ZINC000135177456 371398980 /nfs/dbraw/zinc/39/89/80/371398980.db2.gz YUFNOXPEUBHBCX-HNNXBMFYSA-N 0 3 272.392 3.099 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136959180 371488531 /nfs/dbraw/zinc/48/85/31/371488531.db2.gz XHAYOAAPEHSZPB-SZMVWBNQSA-N 0 3 285.435 3.179 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000289328438 371754189 /nfs/dbraw/zinc/75/41/89/371754189.db2.gz UPCYOMSTGMJBFO-QZTJIDSGSA-N 0 3 295.382 3.349 20 30 CGEDHN C[C@H](Cc1ccncc1)N[C@H](C)c1ccc(C#N)cc1F ZINC000337313881 214000169 /nfs/dbraw/zinc/00/01/69/214000169.db2.gz HGQZYUQEDIKGKT-CHWSQXEVSA-N 0 3 283.350 3.374 20 30 CGEDHN CCCN(CCc1ccccn1)Cc1ccc(C#N)o1 ZINC000289930152 371855078 /nfs/dbraw/zinc/85/50/78/371855078.db2.gz WIOYYBBCBJFZQF-UHFFFAOYSA-N 0 3 269.348 3.001 20 30 CGEDHN CC#CCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000155722402 371941428 /nfs/dbraw/zinc/94/14/28/371941428.db2.gz HSFARZZQCVFMLK-UHFFFAOYSA-N 0 3 261.340 3.082 20 30 CGEDHN C=CCc1cc(CN2CCC[C@@H](C)C2)cc(OC)c1O ZINC000157684018 372033059 /nfs/dbraw/zinc/03/30/59/372033059.db2.gz YOGBQJCKJNIWDI-CYBMUJFWSA-N 0 3 275.392 3.361 20 30 CGEDHN N#Cc1ncccc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000290505437 372003954 /nfs/dbraw/zinc/00/39/54/372003954.db2.gz LDJDPQKTWGPJSX-SFHVURJKSA-N 0 3 292.386 3.202 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccc(F)cc1 ZINC000157215646 372012291 /nfs/dbraw/zinc/01/22/91/372012291.db2.gz IKSOLOYBPXQCNH-OAHLLOKOSA-N 0 3 297.373 3.446 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnc(N(C)C)n2C)CCCC1(C)C ZINC000425337726 372121858 /nfs/dbraw/zinc/12/18/58/372121858.db2.gz NRBANSYHPWOOCJ-HNNXBMFYSA-N 0 3 290.455 3.053 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000424620729 372088271 /nfs/dbraw/zinc/08/82/71/372088271.db2.gz VRWNJNAQGHFTBE-MRXNPFEDSA-N 0 3 288.435 3.316 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000424749751 372097639 /nfs/dbraw/zinc/09/76/39/372097639.db2.gz FGPDCMZSKOQWRC-OAHLLOKOSA-N 0 3 288.435 3.225 20 30 CGEDHN CO[C@@](C)(CN[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000291257430 372148178 /nfs/dbraw/zinc/14/81/78/372148178.db2.gz PRQMNIHGRJIRCS-ZBEGNZNMSA-N 0 3 276.355 3.163 20 30 CGEDHN CC#CCCNCc1cccc(Cl)c1OCC ZINC000426143891 372149605 /nfs/dbraw/zinc/14/96/05/372149605.db2.gz AWSXNTMRUDNRJQ-UHFFFAOYSA-N 0 3 251.757 3.242 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(NC(C)=O)cc1 ZINC000426557581 372165387 /nfs/dbraw/zinc/16/53/87/372165387.db2.gz FYTLLIDNIBYFPR-MRXNPFEDSA-N 0 3 258.365 3.186 20 30 CGEDHN Cc1cccc(NCCN[C@H](C)c2cccc(C#N)c2)n1 ZINC000344281062 217133267 /nfs/dbraw/zinc/13/32/67/217133267.db2.gz AHQCXIROBYJYKU-CQSZACIVSA-N 0 3 280.375 3.024 20 30 CGEDHN C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000344320643 217148116 /nfs/dbraw/zinc/14/81/16/217148116.db2.gz IKUFWOAYJJRPEJ-QWHCGFSZSA-N 0 3 288.391 3.329 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cccc(Cl)c1 ZINC000429721682 372377419 /nfs/dbraw/zinc/37/74/19/372377419.db2.gz KIRFCAXFYBFOEZ-UHFFFAOYSA-N 0 3 266.816 3.280 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1c(F)cccc1F ZINC000429710313 372377904 /nfs/dbraw/zinc/37/79/04/372377904.db2.gz VOLNLEMOOJWZKL-ZDUSSCGKSA-N 0 3 282.378 3.466 20 30 CGEDHN CC(C)Oc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430042413 372381113 /nfs/dbraw/zinc/38/11/13/372381113.db2.gz YIPOQEBNISIYNA-UHFFFAOYSA-N 0 3 258.365 3.257 20 30 CGEDHN CCc1nc2c(s1)[C@H](NCC1(CC#N)CC1)CCC2 ZINC000430726805 372393426 /nfs/dbraw/zinc/39/34/26/372393426.db2.gz WDUWMXJAZCSFFX-LLVKDONJSA-N 0 3 275.421 3.366 20 30 CGEDHN C=CCC[C@H](NCCNC(=O)[C@H](C)CCC)c1ccco1 ZINC000293591721 372420974 /nfs/dbraw/zinc/42/09/74/372420974.db2.gz CUCSDCQEYSUJIA-CABCVRRESA-N 0 3 292.423 3.429 20 30 CGEDHN C[C@@H]1C[C@H](C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433118868 372581228 /nfs/dbraw/zinc/58/12/28/372581228.db2.gz ZRYMNQPARARGPJ-HLLBOEOZSA-N 0 3 284.403 3.263 20 30 CGEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc(C)cc1CN(C)C ZINC000435458150 372767095 /nfs/dbraw/zinc/76/70/95/372767095.db2.gz OCSDRYVVSQFTOK-UHFFFAOYSA-N 0 3 297.358 3.082 20 30 CGEDHN CCc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000171769712 372825299 /nfs/dbraw/zinc/82/52/99/372825299.db2.gz UOOGUWNODAXPFC-UHFFFAOYSA-N 0 3 280.371 3.441 20 30 CGEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)C[C@H]2C)C1=O ZINC000439318381 372976271 /nfs/dbraw/zinc/97/62/71/372976271.db2.gz QNNBMHAGLPLZDT-NXHRZFHOSA-N 0 3 298.430 3.041 20 30 CGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439664453 372979948 /nfs/dbraw/zinc/97/99/48/372979948.db2.gz GENCBVZSGHTOHD-UXLLHSPISA-N 0 3 299.418 3.020 20 30 CGEDHN CSCc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442878479 373114557 /nfs/dbraw/zinc/11/45/57/373114557.db2.gz UEDKPQYDTJFBLM-IUODEOHRSA-N 0 3 260.406 3.331 20 30 CGEDHN C[C@H]1Cc2ccccc2CN1CCCSCC#N ZINC000173899622 373213430 /nfs/dbraw/zinc/21/34/30/373213430.db2.gz REGSUBUNELQNJB-ZDUSSCGKSA-N 0 3 260.406 3.080 20 30 CGEDHN C[C@@H](Cc1ccccc1F)NCc1ccc(C#N)o1 ZINC000174298026 373286526 /nfs/dbraw/zinc/28/65/26/373286526.db2.gz WAHVBWJZGXRQIJ-NSHDSACASA-N 0 3 258.296 3.011 20 30 CGEDHN C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000353598890 220181320 /nfs/dbraw/zinc/18/13/20/220181320.db2.gz VAPLCMSTBWVTCC-ZANVPECISA-N 0 3 268.282 3.334 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H](O)Cc1ccccc1 ZINC000299375328 373523523 /nfs/dbraw/zinc/52/35/23/373523523.db2.gz LZNHXTWBJSMCBS-BEFAXECRSA-N 0 3 294.398 3.155 20 30 CGEDHN COc1cc(CN[C@@H](c2cccnc2)C(C)C)ccc1C#N ZINC000353634013 220210042 /nfs/dbraw/zinc/21/00/42/220210042.db2.gz YVBGKKNVDOJKOC-GOSISDBHSA-N 0 3 295.386 3.449 20 30 CGEDHN C[C@@H]1CCCCN1CCNc1cc(Cl)ccc1C#N ZINC000301266963 373718299 /nfs/dbraw/zinc/71/82/99/373718299.db2.gz ICZNIBJPPYTZGZ-GFCCVEGCSA-N 0 3 277.799 3.498 20 30 CGEDHN CO[C@](C)(CNCc1ccc(C#N)s1)c1ccccc1 ZINC000449484187 373773640 /nfs/dbraw/zinc/77/36/40/373773640.db2.gz LMLDANXUXXPYNA-MRXNPFEDSA-N 0 3 286.400 3.271 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCOc2ccc(Cl)c(F)c2)C1 ZINC000449483819 373773659 /nfs/dbraw/zinc/77/36/59/373773659.db2.gz CLMFPQZQHUMKNU-QWRGUYRKSA-N 0 3 282.746 3.140 20 30 CGEDHN N#Cc1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000301292162 373732616 /nfs/dbraw/zinc/73/26/16/373732616.db2.gz VFPRFYVKEMCRDR-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000301316673 373742610 /nfs/dbraw/zinc/74/26/10/373742610.db2.gz VJZOEIPMHFWMID-KRWDZBQOSA-N 0 3 289.419 3.026 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](OC)C(C)(C)C1 ZINC000449506196 373804916 /nfs/dbraw/zinc/80/49/16/373804916.db2.gz YPIZWZZQAULTCA-KRWDZBQOSA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](OC)[C@H](C)C1 ZINC000449510986 373811029 /nfs/dbraw/zinc/81/10/29/373811029.db2.gz YANSBIBDCCCXFO-GDBMZVCRSA-N 0 3 275.392 3.108 20 30 CGEDHN CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000178911201 373816545 /nfs/dbraw/zinc/81/65/45/373816545.db2.gz NXMDARWKLSJUFO-UHFFFAOYSA-N 0 3 283.293 3.421 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccc(F)cc2s1 ZINC000449549059 373829701 /nfs/dbraw/zinc/82/97/01/373829701.db2.gz UFYZQIATXUSOBV-YPMHNXCESA-N 0 3 292.379 3.259 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cc2ccccc2cc1OC ZINC000449695535 373844194 /nfs/dbraw/zinc/84/41/94/373844194.db2.gz FKMWXPQHAXATTD-KRWDZBQOSA-N 0 3 285.387 3.265 20 30 CGEDHN C[C@@H]1[C@@H](Nc2cccc(Cl)c2C#N)CCCN1C ZINC000450434201 374127570 /nfs/dbraw/zinc/12/75/70/374127570.db2.gz GCEYGPGGFPNIPW-MFKMUULPSA-N 0 3 263.772 3.106 20 30 CGEDHN CC(C)(C)C[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000307778460 374152414 /nfs/dbraw/zinc/15/24/14/374152414.db2.gz QZXMFQUQHBUKNW-CQSZACIVSA-N 0 3 257.381 3.211 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450691763 374172334 /nfs/dbraw/zinc/17/23/34/374172334.db2.gz ALXJSQDXVYIJBX-QFBILLFUSA-N 0 3 299.414 3.475 20 30 CGEDHN C=CCOc1ccccc1CNCCCSCC ZINC000310621683 374220446 /nfs/dbraw/zinc/22/04/46/374220446.db2.gz NJHOTBQNQRPURN-UHFFFAOYSA-N 0 3 265.422 3.484 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000185190500 374604772 /nfs/dbraw/zinc/60/47/72/374604772.db2.gz SAMHMZTWECLIBO-LSDHHAIUSA-N 0 3 278.421 3.303 20 30 CGEDHN Cc1nn(C)c(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334171553 374652939 /nfs/dbraw/zinc/65/29/39/374652939.db2.gz ARGJUSPWTCWCGY-GOSISDBHSA-N 0 3 294.402 3.076 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000334360933 374684290 /nfs/dbraw/zinc/68/42/90/374684290.db2.gz IJBQHHPPHPBZEO-NSHDSACASA-N 0 3 299.349 3.173 20 30 CGEDHN CC[C@@H]1[C@H](C)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185598373 374695296 /nfs/dbraw/zinc/69/52/96/374695296.db2.gz XUAQLYHHXNGUAY-IUODEOHRSA-N 0 3 296.374 3.229 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](c1ccccc1)N(C)C ZINC000185673375 374710293 /nfs/dbraw/zinc/71/02/93/374710293.db2.gz FBEUUWMIYGDMGU-DYVFJYSZSA-N 0 3 299.443 3.401 20 30 CGEDHN C[C@H]1CSC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000334392848 374710323 /nfs/dbraw/zinc/71/03/23/374710323.db2.gz YPNPMUSBWZAQGP-TVQRCGJNSA-N 0 3 266.797 3.053 20 30 CGEDHN CCN(CC)[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185803424 374740896 /nfs/dbraw/zinc/74/08/96/374740896.db2.gz AAIHZLMERPEQCC-HRCADAONSA-N 0 3 289.423 3.334 20 30 CGEDHN Cc1cc(NC(=O)c2cscc2C#N)ccc1CN(C)C ZINC000458271094 374742647 /nfs/dbraw/zinc/74/26/47/374742647.db2.gz UHWQINYWHHXUEO-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000334524358 374820384 /nfs/dbraw/zinc/82/03/84/374820384.db2.gz JKFLFZRPEIGCAF-HTQZYQBOSA-N 0 3 271.147 3.330 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cc(C#N)ccc1F ZINC000186391859 374843403 /nfs/dbraw/zinc/84/34/03/374843403.db2.gz CQYBRRHXQFWULS-SJORKVTESA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCCCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000472054425 375009460 /nfs/dbraw/zinc/00/94/60/375009460.db2.gz LRFCPSFHECQCLS-UHFFFAOYSA-N 0 3 299.317 3.463 20 30 CGEDHN C=C(C)COCCNCc1cc2c(ccc(C)c2C)[nH]1 ZINC000472042052 375009997 /nfs/dbraw/zinc/00/99/97/375009997.db2.gz BOKJDMGYIKFYTP-UHFFFAOYSA-N 0 3 272.392 3.467 20 30 CGEDHN C#CCCCCN[C@@H](C)c1ncc(Br)cc1F ZINC000187367784 375010801 /nfs/dbraw/zinc/01/08/01/375010801.db2.gz ICSABGXKWISZJU-JTQLQIEISA-N 0 3 299.187 3.437 20 30 CGEDHN CC(C)CO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187714082 375079519 /nfs/dbraw/zinc/07/95/19/375079519.db2.gz QNKLDVSKAOBOCN-WMLDXEAASA-N 0 3 272.392 3.366 20 30 CGEDHN Fc1ccc(C#CCN(CC2CC2)C2CCC2)cc1 ZINC000483297655 375177806 /nfs/dbraw/zinc/17/78/06/375177806.db2.gz SVZVATGDZPFQNJ-UHFFFAOYSA-N 0 3 257.352 3.442 20 30 CGEDHN C=CCN(CC(=O)N[C@@H](C)C(C)C)CC1CCCCC1 ZINC000484513485 375189052 /nfs/dbraw/zinc/18/90/52/375189052.db2.gz KBHZXLNDRZGFLL-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000188544026 375228085 /nfs/dbraw/zinc/22/80/85/375228085.db2.gz UJZWQDLFAXITBG-RHSMWYFYSA-N 0 3 272.392 3.336 20 30 CGEDHN CCOC[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000487864222 375278644 /nfs/dbraw/zinc/27/86/44/375278644.db2.gz YJNMZEFRIFFILM-MRXNPFEDSA-N 0 3 272.392 3.115 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)s1 ZINC000335420692 375278725 /nfs/dbraw/zinc/27/87/25/375278725.db2.gz DBKCOVSOMJPEKC-SWLSCSKDSA-N 0 3 276.405 3.011 20 30 CGEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335378537 375267349 /nfs/dbraw/zinc/26/73/49/375267349.db2.gz HAMTVGRCAWEHOR-RHSMWYFYSA-N 0 3 288.366 3.088 20 30 CGEDHN CC1=C(c2ccco2)CN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000335767440 375413093 /nfs/dbraw/zinc/41/30/93/375413093.db2.gz MPMXVBCUSJCTKV-ZIAGYGMSSA-N 0 3 256.349 3.451 20 30 CGEDHN N#Cc1ccc(CN2CCC3(C2)CCOCC3)c(Cl)c1 ZINC000335770236 375415869 /nfs/dbraw/zinc/41/58/69/375415869.db2.gz IQXICSLSHHUVLC-UHFFFAOYSA-N 0 3 290.794 3.214 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cnc3ccccc3c2)C1 ZINC000335846029 375479175 /nfs/dbraw/zinc/47/91/75/375479175.db2.gz CBXQNVXXODMIJE-BBRMVZONSA-N 0 3 265.360 3.407 20 30 CGEDHN COC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000494762926 375491088 /nfs/dbraw/zinc/49/10/88/375491088.db2.gz MUVDSXFWDWUSID-CQDKDKBSSA-N 0 3 278.783 3.309 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H]1CCC(C)(C)O1 ZINC000495160827 375497488 /nfs/dbraw/zinc/49/74/88/375497488.db2.gz ZLNKZBATRFXNDK-HNNXBMFYSA-N 0 3 275.392 3.299 20 30 CGEDHN C[C@H]1N(Cc2ccc(C#N)s2)CCC12CCOCC2 ZINC000336010448 375614285 /nfs/dbraw/zinc/61/42/85/375614285.db2.gz YJAMMAXORVEHJT-GFCCVEGCSA-N 0 3 276.405 3.011 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000192195529 375709463 /nfs/dbraw/zinc/70/94/63/375709463.db2.gz HGJHFDBXZFNSNW-IAGOWNOFSA-N 0 3 290.382 3.381 20 30 CGEDHN CC#CCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192468781 375754108 /nfs/dbraw/zinc/75/41/08/375754108.db2.gz RZXDBPOZDYFOEN-UHFFFAOYSA-N 0 3 273.351 3.134 20 30 CGEDHN C[C@H](OC(=O)C1CCN(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000192676292 375777946 /nfs/dbraw/zinc/77/79/46/375777946.db2.gz MHJYBSCQVFCXOH-ZDUSSCGKSA-N 0 3 298.386 3.037 20 30 CGEDHN C=CCOc1ccc(CN(C)C2CC(OCC)C2)cc1 ZINC000516514356 375820726 /nfs/dbraw/zinc/82/07/26/375820726.db2.gz QXEXQOYVNLXFAW-UHFFFAOYSA-N 0 3 275.392 3.251 20 30 CGEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NC[C@@H](C#N)CCC#N ZINC000515832427 375816114 /nfs/dbraw/zinc/81/61/14/375816114.db2.gz VRADVSGOKICSJV-NVXWUHKLSA-N 0 3 287.382 3.426 20 30 CGEDHN C[C@@H](CCc1ccccc1)N1CCC(F)(C#N)CC1 ZINC000510949296 375787695 /nfs/dbraw/zinc/78/76/95/375787695.db2.gz ILLYXMUHRZGNGF-AWEZNQCLSA-N 0 3 260.356 3.335 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2ccccc2nc1OC ZINC000518688237 375829813 /nfs/dbraw/zinc/82/98/13/375829813.db2.gz MJEKUQALZJQACO-SJORKVTESA-N 0 3 298.386 3.067 20 30 CGEDHN C=CCCCC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000193426951 375875232 /nfs/dbraw/zinc/87/52/32/375875232.db2.gz GTPPJJWSLDTOEN-KRWDZBQOSA-N 0 3 282.387 3.312 20 30 CGEDHN C=CCCCCCN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000193449442 375879860 /nfs/dbraw/zinc/87/98/60/375879860.db2.gz AQZYJSHEZNCELL-BZUAXINKSA-N 0 3 267.413 3.001 20 30 CGEDHN CCCCCN(CC(=O)NC1(C#N)CCC1)[C@@H](C)CCC ZINC000526291305 375890600 /nfs/dbraw/zinc/89/06/00/375890600.db2.gz UKSQJCSQAUALIV-HNNXBMFYSA-N 0 3 293.455 3.230 20 30 CGEDHN COC(C)(C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000533479332 375955684 /nfs/dbraw/zinc/95/56/84/375955684.db2.gz SHWRVMDGXRTRQI-UHFFFAOYSA-N 0 3 265.784 3.048 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000529947125 375937059 /nfs/dbraw/zinc/93/70/59/375937059.db2.gz IQCBXYPGEIALOL-SMDDNHRTSA-N 0 3 274.339 3.080 20 30 CGEDHN C=CCN1CC[C@@H](N(C)Cc2cccc3ccccc32)C1=O ZINC000337125680 376085479 /nfs/dbraw/zinc/08/54/79/376085479.db2.gz FEZRPVUAWIXOLE-GOSISDBHSA-N 0 3 294.398 3.059 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000338026938 376255472 /nfs/dbraw/zinc/25/54/72/376255472.db2.gz LFMGLYNNGXPOQF-KFNAQCHYSA-N 0 3 288.366 3.494 20 30 CGEDHN CC(C)CN(CCc1ccccc1)CC1(C#N)CC1 ZINC000539456014 376313138 /nfs/dbraw/zinc/31/31/38/376313138.db2.gz LESIJWYJQMGHSC-UHFFFAOYSA-N 0 3 256.393 3.491 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2ccc(F)cn2)CC1 ZINC000539318419 376303467 /nfs/dbraw/zinc/30/34/67/376303467.db2.gz BDNFHTOAFASAIZ-AWEZNQCLSA-N 0 3 277.387 3.088 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc2[nH]cnc2c1 ZINC000540918948 376404890 /nfs/dbraw/zinc/40/48/90/376404890.db2.gz RQNZOTKPHABUHY-UHFFFAOYSA-N 0 3 281.359 3.387 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc2nc[nH]c2c1 ZINC000540918948 376404902 /nfs/dbraw/zinc/40/49/02/376404902.db2.gz RQNZOTKPHABUHY-UHFFFAOYSA-N 0 3 281.359 3.387 20 30 CGEDHN COc1ccc(CN2CCC[C@H]3CCC[C@H]32)cc1C#N ZINC000228163839 376430371 /nfs/dbraw/zinc/43/03/71/376430371.db2.gz ZJHCYMIRCLKDRK-GDBMZVCRSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCOCCN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000338919116 376575589 /nfs/dbraw/zinc/57/55/89/376575589.db2.gz NNRWYWSIQAJKHG-INIZCTEOSA-N 0 3 291.391 3.043 20 30 CGEDHN COc1cc(CN[C@H](C)c2cccs2)ccc1C#N ZINC000234950759 376626390 /nfs/dbraw/zinc/62/63/90/376626390.db2.gz FILCSXJZBKLDMX-LLVKDONJSA-N 0 3 272.373 3.479 20 30 CGEDHN C[C@H]1CN(CCCCC(C)(C)C#N)CC(C)(C)O1 ZINC000235586328 376646433 /nfs/dbraw/zinc/64/64/33/376646433.db2.gz SHRCSBJWBXXBHZ-ZDUSSCGKSA-N 0 3 252.402 3.206 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(F)c(C#N)c1 ZINC000235556661 376647214 /nfs/dbraw/zinc/64/72/14/376647214.db2.gz RCXDJZNIASELMM-BBRMVZONSA-N 0 3 290.382 3.213 20 30 CGEDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC#N)CC1 ZINC000543811033 376680418 /nfs/dbraw/zinc/68/04/18/376680418.db2.gz MWDLWOZUOFCLQA-GFCCVEGCSA-N 0 3 273.336 3.281 20 30 CGEDHN N#CCCCOc1cccc(CN[C@H]2CCC[C@@H]2F)c1 ZINC000339588093 376763767 /nfs/dbraw/zinc/76/37/67/376763767.db2.gz VWPAGBAOJHYKAT-HOTGVXAUSA-N 0 3 276.355 3.349 20 30 CGEDHN CCc1ccc([C@@H]2CCCN(CCOCCC#N)C2)cc1 ZINC000339195860 376733654 /nfs/dbraw/zinc/73/36/54/376733654.db2.gz ODFHBQVMTQACDB-GOSISDBHSA-N 0 3 286.419 3.359 20 30 CGEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(C#N)cc1 ZINC000245465405 376824398 /nfs/dbraw/zinc/82/43/98/376824398.db2.gz YLTXAGUZWTVASP-FRFSOERESA-N 0 3 297.402 3.150 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C)[C@@H]1C ZINC000245896489 376927796 /nfs/dbraw/zinc/92/77/96/376927796.db2.gz KLVCECUYFDIOHA-STQMWFEESA-N 0 3 258.365 3.187 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C)[C@@H]1C ZINC000246510863 377044195 /nfs/dbraw/zinc/04/41/95/377044195.db2.gz BHYRUMKEZZNFPY-KGLIPLIRSA-N 0 3 288.391 3.066 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCNc1ccc(C#N)cc1F ZINC000341099001 377397789 /nfs/dbraw/zinc/39/77/89/377397789.db2.gz JJUMMBFWCHBRLR-STQMWFEESA-N 0 3 275.371 3.372 20 30 CGEDHN N#Cc1cccc(C2(NC/C=C/c3ccncc3)CC2)c1 ZINC000341212841 377446095 /nfs/dbraw/zinc/44/60/95/377446095.db2.gz KZIDLUAYRLRNPU-DUXPYHPUSA-N 0 3 275.355 3.245 20 30 CGEDHN C=CC[C@@H](CO)CNCc1csc(-c2ccsc2)n1 ZINC000341317697 377505051 /nfs/dbraw/zinc/50/50/51/377505051.db2.gz WZACEPIMMSAYNK-LLVKDONJSA-N 0 3 294.445 3.146 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000564203559 377475354 /nfs/dbraw/zinc/47/53/54/377475354.db2.gz QUPJCXYFSHLEQS-YESZJQIVSA-N 0 3 282.387 3.064 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000564276917 377475741 /nfs/dbraw/zinc/47/57/41/377475741.db2.gz KHCWJCQOLXIKTN-LSDHHAIUSA-N 0 3 258.340 3.355 20 30 CGEDHN CC[C@H](CC#N)NCCCOc1cc(C)cc(C)c1 ZINC000568289984 377517387 /nfs/dbraw/zinc/51/73/87/377517387.db2.gz WUHPXSYMLWISHK-OAHLLOKOSA-N 0 3 260.381 3.354 20 30 CGEDHN CCOc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000567854076 377511525 /nfs/dbraw/zinc/51/15/25/377511525.db2.gz YMSATIZNOUGNOC-UHFFFAOYSA-N 0 3 280.371 3.441 20 30 CGEDHN Cc1cc(NC[C@@H](c2cccc(F)c2)N(C)C)cc(C#N)n1 ZINC000341369301 377534181 /nfs/dbraw/zinc/53/41/81/377534181.db2.gz KFNCIMKHCZRSRL-KRWDZBQOSA-N 0 3 298.365 3.116 20 30 CGEDHN CCC1CCC(N(C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000315279341 249098156 /nfs/dbraw/zinc/09/81/56/249098156.db2.gz FTDXZDOWIRVYRM-UHFFFAOYSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000573643587 377557895 /nfs/dbraw/zinc/55/78/95/377557895.db2.gz GGJRHJPTDGZVBH-MRXNPFEDSA-N 0 3 288.435 3.379 20 30 CGEDHN COc1ccc([C@H](C)[C@@H](C)NCC2(C#N)CC2)cc1OC ZINC000574137966 377624480 /nfs/dbraw/zinc/62/44/80/377624480.db2.gz LDGUNZYWGBGLQI-CHWSQXEVSA-N 0 3 288.391 3.089 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)CC[C@H]1CCCO1 ZINC000342585013 377675999 /nfs/dbraw/zinc/67/59/99/377675999.db2.gz ITRAAEPVANGLSO-MRXNPFEDSA-N 0 3 277.795 3.192 20 30 CGEDHN CCCCCN(Cc1cnc2c(C#N)cnn2c1)C(C)C ZINC000575181506 377757530 /nfs/dbraw/zinc/75/75/30/377757530.db2.gz JLEFJDJTHFLFKF-UHFFFAOYSA-N 0 3 285.395 3.002 20 30 CGEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000342800288 377803704 /nfs/dbraw/zinc/80/37/04/377803704.db2.gz QXPRSMOOUNAZBN-MCIONIFRSA-N 0 3 282.391 3.072 20 30 CGEDHN CC[C@H](C)N[C@@H](CNc1nccc(C)c1C#N)c1ccco1 ZINC000343269094 377944001 /nfs/dbraw/zinc/94/40/01/377944001.db2.gz HQQPFRQGXSQGGR-ZFWWWQNUSA-N 0 3 298.390 3.396 20 30 CGEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC2(C#N)CC2)C1 ZINC000343320814 377952130 /nfs/dbraw/zinc/95/21/30/377952130.db2.gz MVMHDYTXOHEEQC-HUUCEWRRSA-N 0 3 254.377 3.477 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC(=O)Nc3ccccc32)s1 ZINC000578185092 378043993 /nfs/dbraw/zinc/04/39/93/378043993.db2.gz RWNWQYQBMJZTSS-AWEZNQCLSA-N 0 3 297.383 3.183 20 30 CGEDHN COc1ccc(CN2CC(C)(C)[C@@H]2C(C)C)cc1C#N ZINC000578177870 378044105 /nfs/dbraw/zinc/04/41/05/378044105.db2.gz ODKQVXLWKOZZQC-INIZCTEOSA-N 0 3 272.392 3.433 20 30 CGEDHN C=C(CC)CN[C@H](c1cccs1)C(C)(C)CO ZINC000578403647 378067018 /nfs/dbraw/zinc/06/70/18/378067018.db2.gz NPCABVYODYWQTJ-CYBMUJFWSA-N 0 3 253.411 3.364 20 30 CGEDHN Cn1cc([C@@H](NCc2ccc(CC#N)cc2)C(C)(C)C)cn1 ZINC000343699782 378068968 /nfs/dbraw/zinc/06/89/68/378068968.db2.gz VLJQEIKNWBQLMQ-QGZVFWFLSA-N 0 3 296.418 3.363 20 30 CGEDHN C[C@@H]1CC[C@@H](N(CC#Cc2ccccc2Cl)CCO)C1 ZINC000577903894 378022277 /nfs/dbraw/zinc/02/22/77/378022277.db2.gz QKSSNYMEZAOKRD-GDBMZVCRSA-N 0 3 291.822 3.174 20 30 CGEDHN CCCCC[C@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000577953489 378025755 /nfs/dbraw/zinc/02/57/55/378025755.db2.gz YZZSMXDIRWPULK-INIZCTEOSA-N 0 3 297.406 3.146 20 30 CGEDHN CCOc1cc(CNCc2ccc(CC#N)cc2)ccc1O ZINC000580075967 378221867 /nfs/dbraw/zinc/22/18/67/378221867.db2.gz LAPRVDAHTMTIEZ-UHFFFAOYSA-N 0 3 296.370 3.147 20 30 CGEDHN C[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000581432377 378279034 /nfs/dbraw/zinc/27/90/34/378279034.db2.gz UQJHPAZZEGQBAK-LBPRGKRZSA-N 0 3 273.336 3.088 20 30 CGEDHN Cc1ccc(O)c(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000269585572 378239838 /nfs/dbraw/zinc/23/98/38/378239838.db2.gz BCFRNGRORTYVHK-UHFFFAOYSA-N 0 3 278.355 3.351 20 30 CGEDHN CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(C)C#N ZINC000346056426 378451877 /nfs/dbraw/zinc/45/18/77/378451877.db2.gz BHGTWKAPUWZFSR-ZFWWWQNUSA-N 0 3 258.365 3.016 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000271787988 378504629 /nfs/dbraw/zinc/50/46/29/378504629.db2.gz WFYVVHXAAFDCCB-KBMXLJTQSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@@H](NC[C@@H]1CCCS1)c1ccc(C#N)c(F)c1 ZINC000346223057 378510416 /nfs/dbraw/zinc/51/04/16/378510416.db2.gz WAVCRZGZNQZYNM-MFKMUULPSA-N 0 3 264.369 3.244 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2cn[nH]c21)c1ccc(C#N)c(F)c1 ZINC000271925515 378519466 /nfs/dbraw/zinc/51/94/66/378519466.db2.gz GHGINQSDIKWGHO-BMIGLBTASA-N 0 3 284.338 3.149 20 30 CGEDHN CCCCOCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271964640 378531441 /nfs/dbraw/zinc/53/14/41/378531441.db2.gz SHOXHQSTAISXQM-GFCCVEGCSA-N 0 3 264.344 3.165 20 30 CGEDHN C[C@H](NCCN1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964905 378531818 /nfs/dbraw/zinc/53/18/18/378531818.db2.gz VCHQAHFBMQOCCT-KBPBESRZSA-N 0 3 289.398 3.222 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271972503 378534655 /nfs/dbraw/zinc/53/46/55/378534655.db2.gz UVRXYGLNRTVZRF-NSHDSACASA-N 0 3 264.369 3.267 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ncccc1C ZINC000272314101 378609941 /nfs/dbraw/zinc/60/99/41/378609941.db2.gz SGCUUOKAGWJLSD-UHFFFAOYSA-N 0 3 256.349 3.214 20 30 CGEDHN N#CCCCN[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000346836521 378692799 /nfs/dbraw/zinc/69/27/99/378692799.db2.gz PYDPBHSMROJRPW-INIZCTEOSA-N 0 3 270.376 3.282 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C[C@@H](C)C1 ZINC000347279944 378714609 /nfs/dbraw/zinc/71/46/09/378714609.db2.gz NGXMOEUWHUATDT-UONOGXRCSA-N 0 3 272.392 3.435 20 30 CGEDHN Cc1cc(CN2CCSCC[C@@H]2C)ccc1C#N ZINC000348189787 378831027 /nfs/dbraw/zinc/83/10/27/378831027.db2.gz XRZRKEJPBRSFFQ-ZDUSSCGKSA-N 0 3 260.406 3.194 20 30 CGEDHN C=CCCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000274403123 378826697 /nfs/dbraw/zinc/82/66/97/378826697.db2.gz BLTHLXVDVMPVER-UHFFFAOYSA-N 0 3 275.396 3.226 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](CCO)c2ccc(Cl)cc2)C1 ZINC000348216628 378843464 /nfs/dbraw/zinc/84/34/64/378843464.db2.gz OZWRNWGGSMIOQF-BYCMXARLSA-N 0 3 278.783 3.045 20 30 CGEDHN C[C@@H](NC[C@@H]1CCCSC1)c1ccc(C#N)cc1F ZINC000348216648 378843631 /nfs/dbraw/zinc/84/36/31/378843631.db2.gz PEKZQCGLJZITQF-YPMHNXCESA-N 0 3 278.396 3.491 20 30 CGEDHN C=CCN(C[C@@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000274831838 378905321 /nfs/dbraw/zinc/90/53/21/378905321.db2.gz MLXVPPVPTNXJST-CQSZACIVSA-N 0 3 269.747 3.163 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@H]2c2cccnc2)cc1 ZINC000346983029 218078189 /nfs/dbraw/zinc/07/81/89/218078189.db2.gz YYAFPICGSIDSQY-SFHVURJKSA-N 0 3 293.370 3.169 20 30 CGEDHN C=C(C)[C@@H](NCCc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000274866315 378909331 /nfs/dbraw/zinc/90/93/31/378909331.db2.gz JIQZZZCGJUWTDG-MRXNPFEDSA-N 0 3 291.345 3.148 20 30 CGEDHN COCCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1ccccc1 ZINC000276697761 378982112 /nfs/dbraw/zinc/98/21/12/378982112.db2.gz AKCFPWRHRADHPA-OAHLLOKOSA-N 0 3 297.402 3.106 20 30 CGEDHN CC[C@H](N[C@@H](CO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278791623 194156567 /nfs/dbraw/zinc/15/65/67/194156567.db2.gz QLTYVSVZRSSZDI-ROUUACIJSA-N 0 3 280.371 3.333 20 30 CGEDHN CC[C@@H](NC[C@@H](O)c1ccccc1F)c1ccc(C#N)cc1 ZINC000278284327 379336503 /nfs/dbraw/zinc/33/65/03/379336503.db2.gz QFWTVYIJKYDCCG-QZTJIDSGSA-N 0 3 298.361 3.472 20 30 CGEDHN CC[C@H](NC[C@@H](O)c1ccccc1F)c1ccc(C#N)cc1 ZINC000278284336 379337637 /nfs/dbraw/zinc/33/76/37/379337637.db2.gz QFWTVYIJKYDCCG-ZWKOTPCHSA-N 0 3 298.361 3.472 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000349806416 379392198 /nfs/dbraw/zinc/39/21/98/379392198.db2.gz YXUKGOSWDVOUKX-ZWNOBZJWSA-N 0 3 268.282 3.487 20 30 CGEDHN C[C@H](NCc1ccccc1N(C)C)c1cccc(C#N)c1 ZINC000266632332 190272244 /nfs/dbraw/zinc/27/22/44/190272244.db2.gz SMADKATWHKQKDI-AWEZNQCLSA-N 0 3 279.387 3.475 20 30 CGEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349821402 379401323 /nfs/dbraw/zinc/40/13/23/379401323.db2.gz KVROFESWCFIGFZ-JKSUJKDBSA-N 0 3 294.402 3.271 20 30 CGEDHN C[C@H](CC1CCOCC1)CN(CCC#N)CC1CC1 ZINC000350004131 379475321 /nfs/dbraw/zinc/47/53/21/379475321.db2.gz BJJSRPXGLZJOQI-CQSZACIVSA-N 0 3 264.413 3.065 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279629054 379475353 /nfs/dbraw/zinc/47/53/53/379475353.db2.gz YXLKLVGMRKTRSB-BFHYXJOUSA-N 0 3 299.422 3.426 20 30 CGEDHN C=CCOCCNCc1ccc(-c2ccncc2)cc1F ZINC000374804562 379477941 /nfs/dbraw/zinc/47/79/41/379477941.db2.gz CACJQZOPVGSUOX-UHFFFAOYSA-N 0 3 286.350 3.180 20 30 CGEDHN CC(C)(CCC#N)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375404982 379495830 /nfs/dbraw/zinc/49/58/30/379495830.db2.gz PBJXYYVENSSAGV-ZDUSSCGKSA-N 0 3 288.395 3.066 20 30 CGEDHN CN(C)[C@@H](CNCc1ccc(C#N)s1)c1ccsc1 ZINC000267156793 190307347 /nfs/dbraw/zinc/30/73/47/190307347.db2.gz DQLBFMYQCMUPFT-AWEZNQCLSA-N 0 3 291.445 3.074 20 30 CGEDHN CCc1cc(CCCN(C)Cc2ccc(C#N)cc2)on1 ZINC000347705395 218328300 /nfs/dbraw/zinc/32/83/00/218328300.db2.gz JVQXYVPZSMCOSQ-UHFFFAOYSA-N 0 3 283.375 3.173 20 30 CGEDHN C=CC[C@@H](CO)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000351592287 379728643 /nfs/dbraw/zinc/72/86/43/379728643.db2.gz JMULOKDGWNQBHI-INIZCTEOSA-N 0 3 299.418 3.022 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000280819163 379800089 /nfs/dbraw/zinc/80/00/89/379800089.db2.gz NEFYIVKFEYURIF-UNEWFSDZSA-N 0 3 275.392 3.414 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000280656900 379756933 /nfs/dbraw/zinc/75/69/33/379756933.db2.gz OSSAQWGXRIDXLM-RHSMWYFYSA-N 0 3 275.392 3.080 20 30 CGEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000280719612 379772847 /nfs/dbraw/zinc/77/28/47/379772847.db2.gz CAQYKYOFFYLXKF-QRVBRYPASA-N 0 3 298.430 3.464 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](c1ccccc1)C(C)(C)CO ZINC000352350652 379775477 /nfs/dbraw/zinc/77/54/77/379775477.db2.gz SOKZMWDMVJFNNM-HNNXBMFYSA-N 0 3 274.408 3.276 20 30 CGEDHN C=CCN(CCCCCCO)Cc1ccc(OC)cc1 ZINC000267505835 190334540 /nfs/dbraw/zinc/33/45/40/190334540.db2.gz HHWUTCHVSDFCNG-UHFFFAOYSA-N 0 3 277.408 3.236 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](C)c2cccc3ccccc32)C1=O ZINC000280992393 379812498 /nfs/dbraw/zinc/81/24/98/379812498.db2.gz JEMWEPQKEZYWQJ-KSSFIOAISA-N 0 3 294.398 3.277 20 30 CGEDHN CC(C)C1CCC(NCc2nc(C#N)cs2)CC1 ZINC000352793929 379963601 /nfs/dbraw/zinc/96/36/01/379963601.db2.gz GGBCCCKAOZLZQP-UHFFFAOYSA-N 0 3 263.410 3.319 20 30 CGEDHN CC(C)(CNCc1nc(C#N)cs1)Cc1ccccc1 ZINC000352811979 379975508 /nfs/dbraw/zinc/97/55/08/379975508.db2.gz VGWUYGAVWDWMPG-UHFFFAOYSA-N 0 3 285.416 3.373 20 30 CGEDHN CC[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(C#N)cc1 ZINC000282523550 379937916 /nfs/dbraw/zinc/93/79/16/379937916.db2.gz UVCBZYBWPVZCSW-DLBZAZTESA-N 0 3 294.402 3.410 20 30 CGEDHN Cc1c(CN2CCC(CCC#N)CC2)cccc1[N+](=O)[O-] ZINC000399299265 379938902 /nfs/dbraw/zinc/93/89/02/379938902.db2.gz FCCJZKLRQWSEKX-UHFFFAOYSA-N 0 3 287.363 3.419 20 30 CGEDHN CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000352767901 379950777 /nfs/dbraw/zinc/95/07/77/379950777.db2.gz DEBKHIVPHPYCIZ-UHFFFAOYSA-N 0 3 284.363 3.227 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)c(F)c1 ZINC000352871574 380015081 /nfs/dbraw/zinc/01/50/81/380015081.db2.gz BQOKHASGPSGVGW-BBRMVZONSA-N 0 3 290.382 3.213 20 30 CGEDHN CCN(CCC1(C#N)CCCCC1)C[C@H]1CCCO1 ZINC000411223681 380137321 /nfs/dbraw/zinc/13/73/21/380137321.db2.gz PJRQATPCLCNXGO-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN C=CCC[C@@H](NCC(=O)N(C)C(C)C)c1ccccc1 ZINC000411468766 380147467 /nfs/dbraw/zinc/14/74/67/380147467.db2.gz CVFWVFSEOQHTBT-MRXNPFEDSA-N 0 3 274.408 3.150 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc(N2CCCC2=O)c1 ZINC000414163477 380195416 /nfs/dbraw/zinc/19/54/16/380195416.db2.gz ITHLTIAQCXFBTF-CQSZACIVSA-N 0 3 299.418 3.404 20 30 CGEDHN CC(C)N(CCN1CCCCCC1)c1ncccc1C#N ZINC000353875156 380226288 /nfs/dbraw/zinc/22/62/88/380226288.db2.gz MGZSHAHEAILFDW-UHFFFAOYSA-N 0 3 286.423 3.044 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CS[C@H](C)C2)cc1OC ZINC000414495024 380270706 /nfs/dbraw/zinc/27/07/06/380270706.db2.gz AWZHRFIJCFCETP-OCCSQVGLSA-N 0 3 293.432 3.244 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(Cl)cc1OC ZINC000643348474 380291232 /nfs/dbraw/zinc/29/12/32/380291232.db2.gz WXEJZXFQNWOUOP-LLVKDONJSA-N 0 3 269.772 3.202 20 30 CGEDHN C=CCSCCN[C@H](c1ccc(F)cn1)C(C)C ZINC000354036038 380293063 /nfs/dbraw/zinc/29/30/63/380293063.db2.gz QGNWIVIBECTYHG-AWEZNQCLSA-N 0 3 268.401 3.427 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](CC)[C@H](O)C(C)C ZINC000414526690 380300590 /nfs/dbraw/zinc/30/05/90/380300590.db2.gz LQXFNAIAFQLFCM-DOTOQJQBSA-N 0 3 277.408 3.137 20 30 CGEDHN CC#CCCNCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000354193503 380360043 /nfs/dbraw/zinc/36/00/43/380360043.db2.gz ZSBDXEPOXRWWGI-UHFFFAOYSA-N 0 3 273.767 3.233 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000644786066 380510669 /nfs/dbraw/zinc/51/06/69/380510669.db2.gz BOGDQEOIQLYCDN-HUUCEWRRSA-N 0 3 297.851 3.443 20 30 CGEDHN C=CC1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000416155971 380524828 /nfs/dbraw/zinc/52/48/28/380524828.db2.gz FTYQIQQVLWFTOA-QGZVFWFLSA-N 0 3 286.419 3.104 20 30 CGEDHN C=C(C)CCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418239061 380714669 /nfs/dbraw/zinc/71/46/69/380714669.db2.gz GPXGDNAPVQEMLJ-MRXNPFEDSA-N 0 3 289.423 3.075 20 30 CGEDHN C=C(C)CCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418239060 380715156 /nfs/dbraw/zinc/71/51/56/380715156.db2.gz GPXGDNAPVQEMLJ-INIZCTEOSA-N 0 3 289.423 3.075 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418449509 380721691 /nfs/dbraw/zinc/72/16/91/380721691.db2.gz KSMHBZANLKURAE-MRXNPFEDSA-N 0 3 289.423 3.074 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](CC)OC ZINC000419205159 380778641 /nfs/dbraw/zinc/77/86/41/380778641.db2.gz IUFXWQZRSYDEDY-OAHLLOKOSA-N 0 3 263.381 3.108 20 30 CGEDHN OCC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000421015146 380871467 /nfs/dbraw/zinc/87/14/67/380871467.db2.gz LETBTHPSDHBFPC-MRXNPFEDSA-N 0 3 291.822 3.176 20 30 CGEDHN C[C@@H](C1CCC1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000357023253 380993961 /nfs/dbraw/zinc/99/39/61/380993961.db2.gz LJXZTBAGPVNFIY-LBPRGKRZSA-N 0 3 296.374 3.229 20 30 CGEDHN C=CCCOCCN[C@H]1c2cc(F)ccc2C[C@H]1C ZINC000358367214 381306209 /nfs/dbraw/zinc/30/62/09/381306209.db2.gz KQEZWMZKOXWAAX-MLGOLLRUSA-N 0 3 263.356 3.241 20 30 CGEDHN C=CCC[C@H](NCc1nnc(C(C)C)s1)C1CC1 ZINC000358296810 381301907 /nfs/dbraw/zinc/30/19/07/381301907.db2.gz KXMPGJKCPHOAIT-LBPRGKRZSA-N 0 3 265.426 3.496 20 30 CGEDHN C=C(CN[C@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000358755198 381326054 /nfs/dbraw/zinc/32/60/54/381326054.db2.gz NTFQSRUQKZEBRV-INIZCTEOSA-N 0 3 267.376 3.101 20 30 CGEDHN C=CCC[C@H](O)CN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359653523 381360420 /nfs/dbraw/zinc/36/04/20/381360420.db2.gz WNADTLAQSJVPNG-DZKIICNBSA-N 0 3 289.419 3.330 20 30 CGEDHN COC1CCC(N(C)Cc2ccc(F)cc2C#N)CC1 ZINC000360320711 381515223 /nfs/dbraw/zinc/51/52/23/381515223.db2.gz WFHCZBJNXVHZME-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN CN(Cc1cc(C#N)n(C)c1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361252576 381665043 /nfs/dbraw/zinc/66/50/43/381665043.db2.gz PGLVZZDTOBVLLZ-KBPBESRZSA-N 0 3 299.340 3.450 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(OC3CCC3)c2)C1 ZINC000361433044 381745909 /nfs/dbraw/zinc/74/59/09/381745909.db2.gz ZDUOGKYGPZVGRN-HIFRSBDPSA-N 0 3 285.391 3.185 20 30 CGEDHN C=CCCCN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000361459276 381754755 /nfs/dbraw/zinc/75/47/55/381754755.db2.gz WGGSFSINHWGXFN-LBPRGKRZSA-N 0 3 289.297 3.174 20 30 CGEDHN COCCN(Cc1ccccc1C#N)[C@@H]1CC[C@@H](C)C1 ZINC000361640601 381851136 /nfs/dbraw/zinc/85/11/36/381851136.db2.gz VDMPDAIIYAFTCY-RHSMWYFYSA-N 0 3 272.392 3.195 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)o1 ZINC000362391034 381972881 /nfs/dbraw/zinc/97/28/81/381972881.db2.gz YBKVMIMSLVPJTQ-ROUUACIJSA-N 0 3 296.370 3.239 20 30 CGEDHN Cc1cc(CN(C)Cc2ccccc2)ccc1C#N ZINC000362969414 382170263 /nfs/dbraw/zinc/17/02/63/382170263.db2.gz MAFNPJRTPWECRD-UHFFFAOYSA-N 0 3 250.345 3.499 20 30 CGEDHN C=CCC[C@@H](CC)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000369020609 382385049 /nfs/dbraw/zinc/38/50/49/382385049.db2.gz ZKHQOWKXKWWBRG-CABCVRRESA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000369020609 382385054 /nfs/dbraw/zinc/38/50/54/382385054.db2.gz ZKHQOWKXKWWBRG-CABCVRRESA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCC[C@@H](CC)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000369020609 382385057 /nfs/dbraw/zinc/38/50/57/382385057.db2.gz ZKHQOWKXKWWBRG-CABCVRRESA-N 0 3 270.380 3.229 20 30 CGEDHN N#Cc1csc(CN2CCC(Cc3cccnc3)CC2)c1 ZINC000350463712 219024805 /nfs/dbraw/zinc/02/48/05/219024805.db2.gz VPOUEHNESFUQCP-UHFFFAOYSA-N 0 3 297.427 3.469 20 30 CGEDHN C=CCOCCNCc1ccc(F)cc1C(F)(F)F ZINC000311578731 542429509 /nfs/dbraw/zinc/42/95/09/542429509.db2.gz SWPUTKOZVIIMLR-UHFFFAOYSA-N 0 3 277.261 3.137 20 30 CGEDHN COCc1ccccc1CNCc1ccc(C#N)c(OC)c1 ZINC000281669254 195328974 /nfs/dbraw/zinc/32/89/74/195328974.db2.gz LLWPPRZPCXEXGW-UHFFFAOYSA-N 0 3 296.370 3.003 20 30 CGEDHN C[C@@H](NCCCOCC1CC1)c1ccc(C#N)cc1F ZINC000358572562 533386141 /nfs/dbraw/zinc/38/61/41/533386141.db2.gz QNKDGLTYWRNELN-GFCCVEGCSA-N 0 3 276.355 3.165 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)CNC2)c1ccc(C#N)cc1F ZINC000423370622 533450934 /nfs/dbraw/zinc/45/09/34/533450934.db2.gz FUPFHFKTQRUORJ-GFCCVEGCSA-N 0 3 295.361 3.151 20 30 CGEDHN COc1ccc(CN2CC(C)(C)C[C@@H]2C)cc1C#N ZINC000412042819 533552345 /nfs/dbraw/zinc/55/23/45/533552345.db2.gz NCEKSUVTCMBQOI-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN Cn1cc(CN[C@@H]2CC(C)(C)c3ccccc32)cc1C#N ZINC000191367805 130227698 /nfs/dbraw/zinc/22/76/98/130227698.db2.gz UNRUHRAIPAXZLY-QGZVFWFLSA-N 0 3 279.387 3.409 20 30 CGEDHN C=CCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192069893 130364057 /nfs/dbraw/zinc/36/40/57/130364057.db2.gz HTFYRRLQOCEEGB-OLZOCXBDSA-N 0 3 255.720 3.085 20 30 CGEDHN COc1ccc(CN(C)CCOc2ccccc2C#N)cc1 ZINC000060461122 392120162 /nfs/dbraw/zinc/12/01/62/392120162.db2.gz JEMVQDIDOADJDY-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(COC)CC1 ZINC000093103601 392235733 /nfs/dbraw/zinc/23/57/33/392235733.db2.gz GYIACQLHGTXTOJ-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)C[C@H]1CC=CCC1 ZINC000361678362 392294248 /nfs/dbraw/zinc/29/42/48/392294248.db2.gz NVNFEBPINSJBBE-AWEZNQCLSA-N 0 3 290.432 3.424 20 30 CGEDHN C=CCN(Cc1ccc(-c2cnn(C)c2)s1)C1CC1 ZINC000282794222 392295610 /nfs/dbraw/zinc/29/56/10/392295610.db2.gz MKRFZNBSYHOPKO-UHFFFAOYSA-N 0 3 273.405 3.299 20 30 CGEDHN C=CC[C@@H](CC)NCc1cn(-c2ccccc2C)nn1 ZINC000290244982 392443802 /nfs/dbraw/zinc/44/38/02/392443802.db2.gz ZZZWRCDBKHKDIT-CQSZACIVSA-N 0 3 270.380 3.020 20 30 CGEDHN C=CC[C@H](CC)NCc1cn(-c2ccccc2C)nn1 ZINC000290244975 392444058 /nfs/dbraw/zinc/44/40/58/392444058.db2.gz ZZZWRCDBKHKDIT-AWEZNQCLSA-N 0 3 270.380 3.020 20 30 CGEDHN C=CCC[C@H](NCC(C)(C)[C@]1(O)CCOC1)c1ccco1 ZINC000647342621 392690613 /nfs/dbraw/zinc/69/06/13/392690613.db2.gz UEEBKKYEHASZPI-YOEHRIQHSA-N 0 3 293.407 3.054 20 30 CGEDHN CN(CCCC(C)(C)C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000174856708 392647609 /nfs/dbraw/zinc/64/76/09/392647609.db2.gz HIBZDZZADKWBLW-INIZCTEOSA-N 0 3 299.418 3.054 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@H](C)c1ccccc1 ZINC000181534648 392733648 /nfs/dbraw/zinc/73/36/48/392733648.db2.gz RPLKTGRWSJLRQN-JKSUJKDBSA-N 0 3 288.435 3.193 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000334313858 392718886 /nfs/dbraw/zinc/71/88/86/392718886.db2.gz OELQOPKDOJNYOB-JQWIXIFHSA-N 0 3 296.292 3.181 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cc(C)ccc2F)n1 ZINC000334343941 392722431 /nfs/dbraw/zinc/72/24/31/392722431.db2.gz MVRMGPUXEZAOGW-JTQLQIEISA-N 0 3 289.335 3.145 20 30 CGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000335234253 392784752 /nfs/dbraw/zinc/78/47/52/392784752.db2.gz QCFOHOFZDVUCIX-GOSISDBHSA-N 0 3 296.414 3.339 20 30 CGEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1c(F)cncc1F ZINC000335575738 392800291 /nfs/dbraw/zinc/80/02/91/392800291.db2.gz MRHUOEGDQKGUQF-NLTNOIMHSA-N 0 3 279.334 3.483 20 30 CGEDHN C=C(CC)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337439398 392886802 /nfs/dbraw/zinc/88/68/02/392886802.db2.gz LHYXSMBEKQYBMK-OAHLLOKOSA-N 0 3 273.424 3.365 20 30 CGEDHN C=CCCCCCN1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000338334356 392908942 /nfs/dbraw/zinc/90/89/42/392908942.db2.gz WJEQHTZFIJMSST-AWEZNQCLSA-N 0 3 262.401 3.387 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)[C@H]1CCCCO1 ZINC000381731916 392914132 /nfs/dbraw/zinc/91/41/32/392914132.db2.gz XCJMZFNDNYACAT-GOEBONIOSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000338925157 392935331 /nfs/dbraw/zinc/93/53/31/392935331.db2.gz YMIPBYMFQXAWIK-MRXNPFEDSA-N 0 3 263.356 3.035 20 30 CGEDHN C=CCOCCN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000338927557 392935801 /nfs/dbraw/zinc/93/58/01/392935801.db2.gz YPAUHAHUUWUOOV-UHFFFAOYSA-N 0 3 289.419 3.349 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000339064355 392943765 /nfs/dbraw/zinc/94/37/65/392943765.db2.gz XDTJHWPDIOLVPE-DMDPSCGWSA-N 0 3 262.328 3.177 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000339006146 392939333 /nfs/dbraw/zinc/93/93/33/392939333.db2.gz UXNSGOLVKYTWJA-UHFFFAOYSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCOCCN(CCc1cccc(F)c1)C1CC1 ZINC000338996871 392939464 /nfs/dbraw/zinc/93/94/64/392939464.db2.gz JREINRJDAOXPCO-UHFFFAOYSA-N 0 3 263.356 3.035 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1-n1cccn1 ZINC000339070252 392945998 /nfs/dbraw/zinc/94/59/98/392945998.db2.gz ZUGXUBZZANYVPD-SOUVJXGZSA-N 0 3 280.375 3.215 20 30 CGEDHN CCOC1CC(N(C)CCC2(C#N)CCCCC2)C1 ZINC000411736416 392987123 /nfs/dbraw/zinc/98/71/23/392987123.db2.gz FEIPCNOUDSCIMS-UHFFFAOYSA-N 0 3 264.413 3.350 20 30 CGEDHN CC[C@@H](C)[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000533426371 392995805 /nfs/dbraw/zinc/99/58/05/392995805.db2.gz JFTIUAQBYIBYFC-RHSMWYFYSA-N 0 3 299.418 3.397 20 30 CGEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000533426373 392996800 /nfs/dbraw/zinc/99/68/00/392996800.db2.gz JFTIUAQBYIBYFC-WMLDXEAASA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000412687926 393006397 /nfs/dbraw/zinc/00/63/97/393006397.db2.gz GKRRMNQBWINQBF-SDADXPQNSA-N 0 3 270.376 3.235 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1F ZINC000413958583 393035744 /nfs/dbraw/zinc/03/57/44/393035744.db2.gz RJJQBARIZHSJPC-BZUAXINKSA-N 0 3 288.366 3.156 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1cn2ccccc2c1C#N ZINC000466915335 393068493 /nfs/dbraw/zinc/06/84/93/393068493.db2.gz JFIWEKVHIPXHIB-UKRRQHHQSA-N 0 3 267.376 3.431 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000351223228 393168215 /nfs/dbraw/zinc/16/82/15/393168215.db2.gz HQSUWIKBDZGBEH-ZDUSSCGKSA-N 0 3 276.355 3.361 20 30 CGEDHN C[C@@H](Cc1ccccc1)CN1CCC(F)(C#N)CC1 ZINC000348710207 393128830 /nfs/dbraw/zinc/12/88/30/393128830.db2.gz NWTQTSHHHVMNGL-AWEZNQCLSA-N 0 3 260.356 3.193 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCc2nc3ccccc3s2)C1 ZINC000348902405 393133819 /nfs/dbraw/zinc/13/38/19/393133819.db2.gz CECMDHACPTXVAN-VXGBXAGGSA-N 0 3 271.389 3.121 20 30 CGEDHN C=CC(C)(C)CNCc1ncccc1C(F)(F)F ZINC000648733026 393228504 /nfs/dbraw/zinc/22/85/04/393228504.db2.gz LQZHLFXFRHHEQK-UHFFFAOYSA-N 0 3 258.287 3.402 20 30 CGEDHN CO[C@]1(C)C[C@@H](N(C)Cc2ccc(C#N)cc2)C1(C)C ZINC000353956963 393235456 /nfs/dbraw/zinc/23/54/56/393235456.db2.gz NAEBGOLGEHVDQY-NVXWUHKLSA-N 0 3 272.392 3.194 20 30 CGEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccccc1C(C)(C)C#N ZINC000351942643 393196736 /nfs/dbraw/zinc/19/67/36/393196736.db2.gz BHRKYGFAZZPYFS-LSDHHAIUSA-N 0 3 285.435 3.012 20 30 CGEDHN Cc1cc([C@@H]2CCCN2CC(C)(C)CCC#N)on1 ZINC000352096448 393199138 /nfs/dbraw/zinc/19/91/38/393199138.db2.gz GFNNDXPLYZJHQE-ZDUSSCGKSA-N 0 3 261.369 3.450 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(C2CC2)n1 ZINC000435732887 393715265 /nfs/dbraw/zinc/71/52/65/393715265.db2.gz RAIJKRNXRGQKMT-JSGCOSHPSA-N 0 3 278.421 3.091 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)C)nc2)nc(C)n1 ZINC000435749037 393715445 /nfs/dbraw/zinc/71/54/45/393715445.db2.gz HZAHHXINPILDMS-AWEZNQCLSA-N 0 3 294.358 3.102 20 30 CGEDHN Cc1cc(CN[C@@H](C)CC(=O)OC(C)(C)C)ccc1C#N ZINC000443996819 393781172 /nfs/dbraw/zinc/78/11/72/393781172.db2.gz ZUZWSOIWLGITPL-ZDUSSCGKSA-N 0 3 288.391 3.077 20 30 CGEDHN N#Cc1ccc(CN2CCCc3ccccc3CC2)o1 ZINC000449558317 393902909 /nfs/dbraw/zinc/90/29/09/393902909.db2.gz WYNWAQZELZJFPE-UHFFFAOYSA-N 0 3 266.344 3.142 20 30 CGEDHN CO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C12CCC2 ZINC000449629725 393927160 /nfs/dbraw/zinc/92/71/60/393927160.db2.gz GCEKEBLFTTWOTB-ZIAGYGMSSA-N 0 3 276.405 3.009 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000456955429 394300458 /nfs/dbraw/zinc/30/04/58/394300458.db2.gz BVIXNBYDVFOUCG-QGZVFWFLSA-N 0 3 297.402 3.212 20 30 CGEDHN C=CC1CCN(Cc2c(C3CCC3)cnn2C)CC1 ZINC000667624290 542899418 /nfs/dbraw/zinc/89/94/18/542899418.db2.gz SFXVNSQSHLECRS-UHFFFAOYSA-N 0 3 259.397 3.086 20 30 CGEDHN C=CC[C@H]1N(Cc2cnc3n2CCC3)CCCC1(C)C ZINC000668069956 542965284 /nfs/dbraw/zinc/96/52/84/542965284.db2.gz FHIUKJJFFYMBGI-OAHLLOKOSA-N 0 3 273.424 3.396 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(OC)c(O)c2)C1 ZINC000668492450 543020539 /nfs/dbraw/zinc/02/05/39/543020539.db2.gz BAZMZKAAOKUGFY-CYBMUJFWSA-N 0 3 261.365 3.189 20 30 CGEDHN COCC#CCN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000669944566 543135905 /nfs/dbraw/zinc/13/59/05/543135905.db2.gz OPCSMUOYAXBQQA-BCDXTJNWSA-N 0 3 269.388 3.047 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NC(C(C)C)C(C)C)CC1 ZINC000676293926 543389605 /nfs/dbraw/zinc/38/96/05/543389605.db2.gz OPBIBIHAHYKBQE-UHFFFAOYSA-N 0 3 295.471 3.007 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc2ccccc2c1 ZINC000677047906 543427963 /nfs/dbraw/zinc/42/79/63/543427963.db2.gz JUWRKPYLBGQCNM-QGZVFWFLSA-N 0 3 255.361 3.209 20 30 CGEDHN CCC#C[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000677476489 543450756 /nfs/dbraw/zinc/45/07/56/543450756.db2.gz QXPABNSSHJBNHH-HNNXBMFYSA-N 0 3 284.403 3.139 20 30 CGEDHN COCC#CCN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000677820265 543468438 /nfs/dbraw/zinc/46/84/38/543468438.db2.gz KSLTWJZHVDXLEQ-ZWKOTPCHSA-N 0 3 271.404 3.213 20 30 CGEDHN COCC#CCN[C@@H](C)c1cccc2ccccc21 ZINC000678729012 543550809 /nfs/dbraw/zinc/55/08/09/543550809.db2.gz SLNMLIANRCBLDN-AWEZNQCLSA-N 0 3 253.345 3.140 20 30 CGEDHN CC[C@@H](NCC#CCOC)c1ccc(Cl)cc1 ZINC000678735684 543551293 /nfs/dbraw/zinc/55/12/93/543551293.db2.gz VZCYWJBLTRKCSC-CQSZACIVSA-N 0 3 251.757 3.031 20 30 CGEDHN CC[C@@H](NCC#CCOC)c1cccc(Cl)c1 ZINC000678736308 543551522 /nfs/dbraw/zinc/55/15/22/543551522.db2.gz JJDQMVZTNNKEPX-CQSZACIVSA-N 0 3 251.757 3.031 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000678796332 543559468 /nfs/dbraw/zinc/55/94/68/543559468.db2.gz UFGZZIUDOHPKCJ-BLLLJJGKSA-N 0 3 293.382 3.202 20 30 CGEDHN CCO[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)C12CCC2 ZINC000272198689 286382301 /nfs/dbraw/zinc/38/23/01/286382301.db2.gz ISDBXWRSADLFCX-DLBZAZTESA-N 0 3 296.414 3.485 20 30 CGEDHN N#Cc1cccc(CNCC2=Cc3ccccc3OC2)c1 ZINC000066971926 286972144 /nfs/dbraw/zinc/97/21/44/286972144.db2.gz UCBPJSNFZXYOBW-UHFFFAOYSA-N 0 3 276.339 3.124 20 30 CGEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)C[C@H](C)S1 ZINC000070383280 286989164 /nfs/dbraw/zinc/98/91/64/286989164.db2.gz RUBHIPMMVBDSAG-KBPBESRZSA-N 0 3 290.432 3.153 20 30 CGEDHN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000008118402 287014523 /nfs/dbraw/zinc/01/45/23/287014523.db2.gz RTBLNGYVOFONRE-OAHLLOKOSA-N 0 3 299.418 3.022 20 30 CGEDHN CN1CCN(Cc2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000081613437 165164309 /nfs/dbraw/zinc/16/43/09/165164309.db2.gz ZQIKBFDLXKEJSN-UHFFFAOYSA-N 0 3 283.419 3.009 20 30 CGEDHN COc1ccc(CN2[C@@H](C)CCC[C@@H]2C)cc1C#N ZINC000087833117 165191111 /nfs/dbraw/zinc/19/11/11/165191111.db2.gz GKTRISADUXKJLK-STQMWFEESA-N 0 3 258.365 3.330 20 30 CGEDHN C[C@H](c1ccccn1)N(C)CCCOc1cccc(C#N)c1 ZINC000091703559 165269987 /nfs/dbraw/zinc/26/99/87/165269987.db2.gz DUFLVWIDVAFQDM-OAHLLOKOSA-N 0 3 295.386 3.415 20 30 CGEDHN CC[C@@H](C)CN(CC)Cc1cnc2ccc(C#N)cn12 ZINC000093844909 165339085 /nfs/dbraw/zinc/33/90/85/165339085.db2.gz BXSKUMCJAKEESI-CYBMUJFWSA-N 0 3 270.380 3.074 20 30 CGEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000122797434 287212735 /nfs/dbraw/zinc/21/27/35/287212735.db2.gz NUZUMKUFYMULRN-GXFFZTMASA-N 0 3 275.783 3.249 20 30 CGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000007379204 170281252 /nfs/dbraw/zinc/28/12/52/170281252.db2.gz PYDSDVHOQWSJET-KGLIPLIRSA-N 0 3 293.370 3.236 20 30 CGEDHN C[C@H](Cc1ccco1)NCc1ccc(C#N)cc1F ZINC000038093140 174106899 /nfs/dbraw/zinc/10/68/99/174106899.db2.gz NUJFXAYNAWCJFX-LLVKDONJSA-N 0 3 258.296 3.011 20 30 CGEDHN COc1ccccc1[C@H](CC(C)C)NC(=O)C(C)C#N ZINC000349572293 416541972 /nfs/dbraw/zinc/54/19/72/416541972.db2.gz YVIVYCGXAPCOIL-JSGCOSHPSA-N 0 3 274.364 3.058 20 30 CGEDHN C=CCOCCN[C@@H]1CCc2ccc(Cl)cc21 ZINC000679576697 543647799 /nfs/dbraw/zinc/64/77/99/543647799.db2.gz RMFGKRHKCMLOJM-CQSZACIVSA-N 0 3 251.757 3.120 20 30 CGEDHN C=CCOCCN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000679576163 543648001 /nfs/dbraw/zinc/64/80/01/543648001.db2.gz JRBRYPBFXFWBTF-AWEZNQCLSA-N 0 3 281.783 3.346 20 30 CGEDHN C=CCOc1ccc(CNCCOC(C)C)cc1Cl ZINC000680494962 543715522 /nfs/dbraw/zinc/71/55/22/543715522.db2.gz JOWPOVSUZJZJHH-UHFFFAOYSA-N 0 3 283.799 3.419 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cnc3ccccc3c2)C1 ZINC000334989217 225387836 /nfs/dbraw/zinc/38/78/36/225387836.db2.gz PWIKLSKIZPBFQW-WFASDCNBSA-N 0 3 251.333 3.017 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000411445135 262693595 /nfs/dbraw/zinc/69/35/95/262693595.db2.gz GIYGPKXJKWFAFF-STQMWFEESA-N 0 3 276.380 3.437 20 30 CGEDHN C=C(C)CN1CCC(Nc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000684572753 544015055 /nfs/dbraw/zinc/01/50/55/544015055.db2.gz UWBKKJSNCCKZTH-UHFFFAOYSA-N 0 3 297.402 3.393 20 30 CGEDHN C=CC[C@H](CC)NCc1nc2c(s1)CCCC2 ZINC000684930001 544041269 /nfs/dbraw/zinc/04/12/69/544041269.db2.gz SIFUNTSJIVYLGY-NSHDSACASA-N 0 3 250.411 3.466 20 30 CGEDHN C=CCN1CC[C@H](N2CCc3ccccc3[C@H]2C(C)C)C1=O ZINC000685002235 544050970 /nfs/dbraw/zinc/05/09/70/544050970.db2.gz CHSSOKWVSVPMDV-ZWKOTPCHSA-N 0 3 298.430 3.029 20 30 CGEDHN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)C(C)C#N)CC1 ZINC000336558465 227114889 /nfs/dbraw/zinc/11/48/89/227114889.db2.gz RWIXZMZKMBSGGG-ZDUSSCGKSA-N 0 3 293.370 3.252 20 30 CGEDHN C[C@H](F)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367134599 227193643 /nfs/dbraw/zinc/19/36/43/227193643.db2.gz ZVKQDNGEVULLSU-ZDUSSCGKSA-N 0 3 258.340 3.395 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000352833252 227309335 /nfs/dbraw/zinc/30/93/35/227309335.db2.gz HROSBTFLVSISEZ-DTWKUNHWSA-N 0 3 289.326 3.225 20 30 CGEDHN C=CC1CCN(Cc2cnc3ccccc3n2)CC1 ZINC000659917918 419033276 /nfs/dbraw/zinc/03/32/76/419033276.db2.gz UQGGWRQQMSJFGC-UHFFFAOYSA-N 0 3 253.349 3.028 20 30 CGEDHN C=CCCCCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654666956 418993677 /nfs/dbraw/zinc/99/36/77/418993677.db2.gz IAFJLHLORJBQLV-HOTGVXAUSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@]2(C)CC(C)C)nn1 ZINC000653723861 419075153 /nfs/dbraw/zinc/07/51/53/419075153.db2.gz FZIIYNHDCMNFRB-MRXNPFEDSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCN(Cc1cc2ccccc2o1)[C@@H](C)COC ZINC000661243669 419244055 /nfs/dbraw/zinc/24/40/55/419244055.db2.gz LQHGQMZRNGFMCJ-ZDUSSCGKSA-N 0 3 259.349 3.456 20 30 CGEDHN C=CCCn1cc(CNC2CCC(CCC)CC2)nn1 ZINC000657327189 419251146 /nfs/dbraw/zinc/25/11/46/419251146.db2.gz IAWBZPNILFDXLF-UHFFFAOYSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000661378537 419256064 /nfs/dbraw/zinc/25/60/64/419256064.db2.gz IKKOPRAITFBRNF-OAHLLOKOSA-N 0 3 286.419 3.177 20 30 CGEDHN C=CCCn1cc(CN[C@H](CCC)Cc2ccccc2)nn1 ZINC000657345849 419256127 /nfs/dbraw/zinc/25/61/27/419256127.db2.gz RVRLGMCEWBLHLN-QGZVFWFLSA-N 0 3 298.434 3.355 20 30 CGEDHN C=CCCn1cc(CNC[C@@H](C)c2ccc(C)cc2)nn1 ZINC000657369017 419262145 /nfs/dbraw/zinc/26/21/45/419262145.db2.gz WSCVLPKZQBXJPX-OAHLLOKOSA-N 0 3 284.407 3.056 20 30 CGEDHN CC[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000657387438 419267156 /nfs/dbraw/zinc/26/71/56/419267156.db2.gz PQBOLCFBOXUWRG-LSDHHAIUSA-N 0 3 297.320 3.214 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C)n1CCC ZINC000661114768 419232299 /nfs/dbraw/zinc/23/22/99/419232299.db2.gz MCIAPUJSMNIDCT-HUUCEWRRSA-N 0 3 276.428 3.221 20 30 CGEDHN C=CCCn1cc(CNC2(CC)CCCCC2)nn1 ZINC000657482973 419290017 /nfs/dbraw/zinc/29/00/17/419290017.db2.gz KLEOUXXWZZGAGG-UHFFFAOYSA-N 0 3 262.401 3.057 20 30 CGEDHN C=C(CC)CNCc1cncc(Br)c1C ZINC000657485237 419290880 /nfs/dbraw/zinc/29/08/80/419290880.db2.gz VYWDCMBZGAUQDJ-UHFFFAOYSA-N 0 3 269.186 3.208 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(OC2CC2)c1F ZINC000657496530 419294373 /nfs/dbraw/zinc/29/43/73/419294373.db2.gz UIQRLGYUCPEZSD-WFASDCNBSA-N 0 3 291.366 3.048 20 30 CGEDHN C=CCCC1(CNCc2nccnc2OC)CCCC1 ZINC000657567192 419307805 /nfs/dbraw/zinc/30/78/05/419307805.db2.gz MFNQBSMJHLFKQG-UHFFFAOYSA-N 0 3 275.396 3.101 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661872367 419309288 /nfs/dbraw/zinc/30/92/88/419309288.db2.gz APLLMMSHRHDBKE-RTBURBONSA-N 0 3 283.415 3.319 20 30 CGEDHN Cc1cc(CN2CCC3(CCCC3=O)CC2)ccc1C#N ZINC000661957458 419314987 /nfs/dbraw/zinc/31/49/87/419314987.db2.gz HLKQYRPPQJUGGZ-UHFFFAOYSA-N 0 3 282.387 3.202 20 30 CGEDHN C=CCOCCCNCc1c(C)nn(-c2ccccc2)c1C ZINC000657658087 419320330 /nfs/dbraw/zinc/32/03/30/419320330.db2.gz LTJQVKPAHVMJSM-UHFFFAOYSA-N 0 3 299.418 3.171 20 30 CGEDHN C=CCOCCCNCc1ccccc1Br ZINC000657657651 419320506 /nfs/dbraw/zinc/32/05/06/419320506.db2.gz RRSMKMKIQVPRHB-UHFFFAOYSA-N 0 3 284.197 3.131 20 30 CGEDHN C=CCOCCCNCc1cc2cc(Cl)cnc2o1 ZINC000657659335 419321594 /nfs/dbraw/zinc/32/15/94/419321594.db2.gz WGNPRNJTWDGPEI-UHFFFAOYSA-N 0 3 280.755 3.164 20 30 CGEDHN C=CCCCCCN[C@H](CO)c1ccc(F)cc1F ZINC000662163910 419349500 /nfs/dbraw/zinc/34/95/00/419349500.db2.gz VDBPBBXNHIXLEP-OAHLLOKOSA-N 0 3 269.335 3.334 20 30 CGEDHN C=C(CN[C@@H]1CCCn2nccc21)c1ccccc1 ZINC000657856042 419390113 /nfs/dbraw/zinc/39/01/13/419390113.db2.gz JTWCUJPYRFYJCY-OAHLLOKOSA-N 0 3 253.349 3.021 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](c2ccccc2)[C@H](C)O)c1 ZINC000657814001 419366851 /nfs/dbraw/zinc/36/68/51/419366851.db2.gz CBUZAWZZDRBJPJ-HNAYVOBHSA-N 0 3 297.398 3.463 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1c(CC)nn(C)c1OC ZINC000657908539 419431153 /nfs/dbraw/zinc/43/11/53/419431153.db2.gz IUJQEZWKSNMVCO-CJNGLKHVSA-N 0 3 291.439 3.216 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nn(C)cc1Cl ZINC000658027776 419502328 /nfs/dbraw/zinc/50/23/28/419502328.db2.gz OQCIEAVEXCYREB-YPMHNXCESA-N 0 3 267.804 3.298 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncccc1OC ZINC000658031376 419507320 /nfs/dbraw/zinc/50/73/20/419507320.db2.gz FQJUMQIXMPCTDA-KBPBESRZSA-N 0 3 260.381 3.315 20 30 CGEDHN C=CCCN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000658116116 419592192 /nfs/dbraw/zinc/59/21/92/419592192.db2.gz ZDJFKEQNKPFJCP-CYBMUJFWSA-N 0 3 255.365 3.314 20 30 CGEDHN N#CCCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000517744758 260014835 /nfs/dbraw/zinc/01/48/35/260014835.db2.gz JHAWTPRRSTWGCH-UHFFFAOYSA-N 0 3 298.434 3.198 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)c2cnn(C)c2C)cc1 ZINC000035274414 260018507 /nfs/dbraw/zinc/01/85/07/260018507.db2.gz SLVKWZUUTPPZIR-CYBMUJFWSA-N 0 3 285.391 3.144 20 30 CGEDHN C=C(C)[C@H](NC(=O)[C@@H](CC)N(C)C)c1ccc(F)c(F)c1 ZINC000298126869 260144859 /nfs/dbraw/zinc/14/48/59/260144859.db2.gz BEDRNLCUCHFQCI-CABCVRRESA-N 0 3 296.361 3.038 20 30 CGEDHN C=C[C@@H](C)NCc1cc(Br)ccc1OC ZINC000130444756 260396505 /nfs/dbraw/zinc/39/65/05/260396505.db2.gz CBQNLHMJEDWHQL-SECBINFHSA-N 0 3 270.170 3.122 20 30 CGEDHN C=C[C@H](C)NCc1ccc(OC)c(Br)c1 ZINC000130466374 260397173 /nfs/dbraw/zinc/39/71/73/260397173.db2.gz ADRSUJOKZPHUIN-VIFPVBQESA-N 0 3 270.170 3.122 20 30 CGEDHN C[C@@H](CCc1c(F)cccc1F)NCC1(C#N)CC1 ZINC000518403807 260399354 /nfs/dbraw/zinc/39/93/54/260399354.db2.gz LFONAWDXWVDGBG-NSHDSACASA-N 0 3 264.319 3.179 20 30 CGEDHN C[C@H](CCc1c(F)cccc1F)NCC1(C#N)CC1 ZINC000518403806 260399689 /nfs/dbraw/zinc/39/96/89/260399689.db2.gz LFONAWDXWVDGBG-LLVKDONJSA-N 0 3 264.319 3.179 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427983268 260897799 /nfs/dbraw/zinc/89/77/99/260897799.db2.gz DOSJXFBEPKFORU-KBPBESRZSA-N 0 3 272.392 3.348 20 30 CGEDHN C#C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)C(C)(C)C ZINC000491229537 261381047 /nfs/dbraw/zinc/38/10/47/261381047.db2.gz HVLAACSMMLIVOR-CJNGLKHVSA-N 0 3 270.376 3.115 20 30 CGEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000491266726 261395031 /nfs/dbraw/zinc/39/50/31/261395031.db2.gz QHHBFGBTPVTJRR-JSGCOSHPSA-N 0 3 292.810 3.367 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1cc(C)c(Br)s1 ZINC000336761522 262145541 /nfs/dbraw/zinc/14/55/41/262145541.db2.gz NGHWLMNWBRKTGA-RKDXNWHRSA-N 0 3 290.226 3.017 20 30 CGEDHN CN(C)Cc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1F ZINC000192868345 262211995 /nfs/dbraw/zinc/21/19/95/262211995.db2.gz VNZAFXOUZSLGEA-BBRMVZONSA-N 0 3 289.398 3.059 20 30 CGEDHN CCO[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000193429799 262221736 /nfs/dbraw/zinc/22/17/36/262221736.db2.gz BFCCUCCDEFGSFK-UAGQMJEPSA-N 0 3 272.392 3.436 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccnc(C(C)C)n2)CC1 ZINC000110586328 262257899 /nfs/dbraw/zinc/25/78/99/262257899.db2.gz ABGFQLHIETYVMS-UHFFFAOYSA-N 0 3 274.412 3.052 20 30 CGEDHN CO[C@@](C)([C@@H](C)NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000411951160 262710847 /nfs/dbraw/zinc/71/08/47/262710847.db2.gz PRZKAQDJXMSOGE-DYVFJYSZSA-N 0 3 291.822 3.485 20 30 CGEDHN C=CCCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986298 262713852 /nfs/dbraw/zinc/71/38/52/262713852.db2.gz ORTRTTQYTWWALN-KRWDZBQOSA-N 0 3 271.360 3.063 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1cccc(N2CCCC2=O)c1 ZINC000272037700 263001378 /nfs/dbraw/zinc/00/13/78/263001378.db2.gz QGPWCYDDMZREES-CQSZACIVSA-N 0 3 299.418 3.404 20 30 CGEDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCCC#N ZINC000273092081 263012524 /nfs/dbraw/zinc/01/25/24/263012524.db2.gz SSXQNBIMSAYYEN-UHFFFAOYSA-N 0 3 286.354 3.022 20 30 CGEDHN N#CCCCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000273205865 263013875 /nfs/dbraw/zinc/01/38/75/263013875.db2.gz JNBSCKXIRNHULG-AWEZNQCLSA-N 0 3 256.349 3.326 20 30 CGEDHN N#CCCCN[C@@H]1CCOc2c(Br)cccc21 ZINC000273272708 263014657 /nfs/dbraw/zinc/01/46/57/263014657.db2.gz OQBPYTNXNNPHCN-GFCCVEGCSA-N 0 3 295.180 3.166 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(N3CCCCC3)nc2)C1 ZINC000274226955 263022186 /nfs/dbraw/zinc/02/21/86/263022186.db2.gz ROCRDDQVLGKRKT-NVXWUHKLSA-N 0 3 298.434 3.244 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N2CCCC2=O)c1 ZINC000274578132 263026804 /nfs/dbraw/zinc/02/68/04/263026804.db2.gz BWIRTPHTKGNIRO-OFQRWUPVSA-N 0 3 297.402 3.156 20 30 CGEDHN C[C@H](CCC#N)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000279079457 263052912 /nfs/dbraw/zinc/05/29/12/263052912.db2.gz SKYKTSPHWJMXLD-KMUNFCNLSA-N 0 3 280.318 3.077 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H]1OCCc2sccc21 ZINC000291893564 263126269 /nfs/dbraw/zinc/12/62/69/263126269.db2.gz KVRKRDJRCRZEIM-VLXAULBPSA-N 0 3 290.432 3.422 20 30 CGEDHN C[C@@H](c1ccccc1)N(CCOCCC#N)C1CC1 ZINC000292723103 263134629 /nfs/dbraw/zinc/13/46/29/263134629.db2.gz FZHKGKMEZLZWQV-AWEZNQCLSA-N 0 3 258.365 3.142 20 30 CGEDHN COc1ccccc1[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000293009313 263136942 /nfs/dbraw/zinc/13/69/42/263136942.db2.gz HHDJRBYEUBNGNH-RBSFLKMASA-N 0 3 270.376 3.177 20 30 CGEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000293493576 263142089 /nfs/dbraw/zinc/14/20/89/263142089.db2.gz NHDFMDDEDGERAF-HIFRSBDPSA-N 0 3 288.391 3.218 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC=C(c3ccccc3)C2)C1 ZINC000294208899 263157909 /nfs/dbraw/zinc/15/79/09/263157909.db2.gz RSSQWNZITTVDQV-RHSMWYFYSA-N 0 3 252.361 3.468 20 30 CGEDHN CC(C)(CCC#N)CN1CC(COc2ccccc2)C1 ZINC000297463272 263205132 /nfs/dbraw/zinc/20/51/32/263205132.db2.gz RRYZUZZNDFHYIT-UHFFFAOYSA-N 0 3 272.392 3.327 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000298324553 263217630 /nfs/dbraw/zinc/21/76/30/263217630.db2.gz ZKXFXEOIOIIKHF-JKSUJKDBSA-N 0 3 270.376 3.375 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000298324546 263217867 /nfs/dbraw/zinc/21/78/67/263217867.db2.gz ZKXFXEOIOIIKHF-HOTGVXAUSA-N 0 3 270.376 3.375 20 30 CGEDHN COc1ccccc1O[C@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000298507044 263220555 /nfs/dbraw/zinc/22/05/55/263220555.db2.gz KLVGGJLQWDKJSG-GJZGRUSLSA-N 0 3 288.391 3.231 20 30 CGEDHN CC[C@@H](N[C@H](C)CCC#N)c1ccc(OC)c(OC)c1 ZINC000298672633 263223369 /nfs/dbraw/zinc/22/33/69/263223369.db2.gz YMKJGAQNODSLHE-TZMCWYRMSA-N 0 3 276.380 3.437 20 30 CGEDHN C=CCCOCCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000120816720 263288627 /nfs/dbraw/zinc/28/86/27/263288627.db2.gz ADBBLLZBYPOLSH-UHFFFAOYSA-N 0 3 299.798 3.040 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ncc(-c2ccccc2)s1 ZINC000341275645 263329911 /nfs/dbraw/zinc/32/99/11/263329911.db2.gz ADNRGUFSGFRHJG-CYBMUJFWSA-N 0 3 288.416 3.084 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000341407706 263335332 /nfs/dbraw/zinc/33/53/32/263335332.db2.gz GFOWZHYGPGCGPN-NSHDSACASA-N 0 3 276.767 3.238 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccccc1Br ZINC000341885448 263363481 /nfs/dbraw/zinc/36/34/81/263363481.db2.gz XGGDEDLMVJDJQD-VXGBXAGGSA-N 0 3 298.224 3.284 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000341891687 263363944 /nfs/dbraw/zinc/36/39/44/263363944.db2.gz VOLUBCJUXXGWTD-DOMZBBRYSA-N 0 3 295.810 3.328 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H]1CCCOc2c(Cl)cccc21 ZINC000341893516 263366558 /nfs/dbraw/zinc/36/65/58/263366558.db2.gz YJHNFULKJMUVLL-DOMZBBRYSA-N 0 3 295.810 3.328 20 30 CGEDHN COCC1(C#N)CCN(CCCC(C)(C)C)CC1 ZINC000341997255 263373953 /nfs/dbraw/zinc/37/39/53/263373953.db2.gz WRIUKQKUUUYNGR-UHFFFAOYSA-N 0 3 252.402 3.065 20 30 CGEDHN CC(C)(CCC#N)CNCc1cnc([C@H]2CCCO2)s1 ZINC000342314621 263419701 /nfs/dbraw/zinc/41/97/01/263419701.db2.gz YIAHYOKLCRFFGG-CYBMUJFWSA-N 0 3 293.436 3.414 20 30 CGEDHN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000331209811 264162716 /nfs/dbraw/zinc/16/27/16/264162716.db2.gz WYLSICRJGATKIR-DJIMGWMZSA-N 0 3 284.403 3.454 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000127506908 264255238 /nfs/dbraw/zinc/25/52/38/264255238.db2.gz YMISHHSLGRGYHT-SFHVURJKSA-N 0 3 280.371 3.364 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](OC)C1CC1 ZINC000425407727 264284518 /nfs/dbraw/zinc/28/45/18/264284518.db2.gz PUDFLODTESZPML-KRWDZBQOSA-N 0 3 275.392 3.108 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000358308068 266451826 /nfs/dbraw/zinc/45/18/26/266451826.db2.gz XTHOIMOPCNKOOD-KGLIPLIRSA-N 0 3 255.365 3.157 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000120111927 267382334 /nfs/dbraw/zinc/38/23/34/267382334.db2.gz NGNITJBJWDXNFO-QLFBSQMISA-N 0 3 266.429 3.062 20 30 CGEDHN C=CCC[C@@H](O)CN(Cc1cccc(F)c1)C1CC1 ZINC000123219277 268016409 /nfs/dbraw/zinc/01/64/09/268016409.db2.gz GGXZJASNOABEDG-MRXNPFEDSA-N 0 3 263.356 3.117 20 30 CGEDHN N#Cc1ccc(CNCC2Cc3ccccc3C2)c(F)c1 ZINC000533308845 270222838 /nfs/dbraw/zinc/22/28/38/270222838.db2.gz BYZZCNDRZROCQZ-UHFFFAOYSA-N 0 3 280.346 3.202 20 30 CGEDHN Cn1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000335872989 274895345 /nfs/dbraw/zinc/89/53/45/274895345.db2.gz ZRLXYDGDOPTYIB-SFHVURJKSA-N 0 3 279.387 3.454 20 30 CGEDHN N#Cc1ccc(CN[C@@H](CN2CCCC2)c2ccccc2)o1 ZINC000174254176 274922885 /nfs/dbraw/zinc/92/28/85/274922885.db2.gz DLYSOYDDUHZMRS-SFHVURJKSA-N 0 3 295.386 3.078 20 30 CGEDHN CC1(C#N)CCC(N[C@@H]2COc3ccccc32)CC1 ZINC000336208494 275804743 /nfs/dbraw/zinc/80/47/43/275804743.db2.gz NVSAZZMAJXAHHY-CXOJTPOUSA-N 0 3 256.349 3.182 20 30 CGEDHN CC1CCC(O)(CNC2(c3cccc(C#N)c3)CC2)CC1 ZINC000271841458 276192685 /nfs/dbraw/zinc/19/26/85/276192685.db2.gz VWMGRJUVRVZCQL-UHFFFAOYSA-N 0 3 284.403 3.078 20 30 CGEDHN CCC[C@]1(CO)CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000288899702 276294112 /nfs/dbraw/zinc/29/41/12/276294112.db2.gz SMCGGPZADUYIHW-PBHICJAKSA-N 0 3 272.392 3.104 20 30 CGEDHN CC[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(C#N)cc1 ZINC000282523565 276441365 /nfs/dbraw/zinc/44/13/65/276441365.db2.gz UVCBZYBWPVZCSW-SJORKVTESA-N 0 3 294.402 3.410 20 30 CGEDHN CC[C@H](C)N[C@@H](CNc1nc(C)ccc1C#N)c1ccco1 ZINC000343252195 276558960 /nfs/dbraw/zinc/55/89/60/276558960.db2.gz QAIIPLQLINRGGH-WFASDCNBSA-N 0 3 298.390 3.396 20 30 CGEDHN CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000417361507 276588977 /nfs/dbraw/zinc/58/89/77/276588977.db2.gz IXKJQXQTHDTFEH-ZWKOTPCHSA-N 0 3 294.402 3.410 20 30 CGEDHN C=CCOCCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000348195996 276905404 /nfs/dbraw/zinc/90/54/04/276905404.db2.gz ZZLKKYIIGPCFAY-HNNXBMFYSA-N 0 3 283.799 3.210 20 30 CGEDHN C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1 ZINC000371118757 278388739 /nfs/dbraw/zinc/38/87/39/278388739.db2.gz PXWTWQDQUVTGOW-KUHUBIRLSA-N 0 3 291.398 3.396 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](C3CC3)C2)c(Cl)c1 ZINC000400242720 288055041 /nfs/dbraw/zinc/05/50/41/288055041.db2.gz RVJDPPWYYNXSJX-ZDUSSCGKSA-N 0 3 260.768 3.444 20 30 CGEDHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 ZINC000348334253 279061878 /nfs/dbraw/zinc/06/18/78/279061878.db2.gz OROXTPUSISGOLR-GKSGUAPZSA-N 0 3 274.339 3.320 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)OC ZINC000294182293 280758757 /nfs/dbraw/zinc/75/87/57/280758757.db2.gz KFPMBNVHPPILSB-HEHGZKQESA-N 0 3 260.381 3.270 20 30 CGEDHN C[C@@H](NCCOC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540724519 288668716 /nfs/dbraw/zinc/66/87/16/288668716.db2.gz RQFXUBJUQFMTNE-LLVKDONJSA-N 0 3 264.344 3.163 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cn1)[C@H](C)c1ccccc1 ZINC000554358524 289274088 /nfs/dbraw/zinc/27/40/88/289274088.db2.gz HREFSQVOSDYXTP-UONOGXRCSA-N 0 3 265.360 3.235 20 30 CGEDHN COc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)CCCO2 ZINC000366838511 295270654 /nfs/dbraw/zinc/27/06/54/295270654.db2.gz ZLBVMIKZNSHODL-HNNXBMFYSA-N 0 3 286.375 3.192 20 30 CGEDHN Cc1cncc([C@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000184400867 327827730 /nfs/dbraw/zinc/82/77/30/327827730.db2.gz JVVKYWGLBQSJPF-AWEZNQCLSA-N 0 3 281.359 3.143 20 30 CGEDHN CCN(CC)[C@@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185803404 327845474 /nfs/dbraw/zinc/84/54/74/327845474.db2.gz AAIHZLMERPEQCC-JYJNAYRXSA-N 0 3 289.423 3.334 20 30 CGEDHN CCC[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)OC ZINC000293543906 328103423 /nfs/dbraw/zinc/10/34/23/328103423.db2.gz AYBYRYOUDHGVBM-CZUORRHYSA-N 0 3 276.380 3.055 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000160999909 328116306 /nfs/dbraw/zinc/11/63/06/328116306.db2.gz KRPFJQNYHYKZNZ-VXGBXAGGSA-N 0 3 288.819 3.164 20 30 CGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000177034964 329180639 /nfs/dbraw/zinc/18/06/39/329180639.db2.gz HSBUOAJTEAWWCS-UHFFFAOYSA-N 0 3 267.294 3.399 20 30 CGEDHN CC(C)(C#N)CCCCN1CCc2ccccc2[C@@H]1CO ZINC000277751396 328222185 /nfs/dbraw/zinc/22/21/85/328222185.db2.gz PPTCJHQDKOXCHS-KRWDZBQOSA-N 0 3 286.419 3.298 20 30 CGEDHN Cc1cccc2oc(CCN[C@H]3CCC[C@H](C#N)C3)nc21 ZINC000278367444 328225169 /nfs/dbraw/zinc/22/51/69/328225169.db2.gz BWZBUBNIEJQZHF-KBPBESRZSA-N 0 3 283.375 3.351 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000278620856 328228659 /nfs/dbraw/zinc/22/86/59/328228659.db2.gz NFVVETIFSNTXFO-YOEHRIQHSA-N 0 3 297.402 3.029 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H](C)COC)cc1Cl ZINC000179366027 329204596 /nfs/dbraw/zinc/20/45/96/329204596.db2.gz SEWFBHJTWKYMKF-GFCCVEGCSA-N 0 3 283.799 3.372 20 30 CGEDHN N#Cc1ccc2ncc(CNC/C=C/c3ccccc3)n2c1 ZINC000172340112 321939702 /nfs/dbraw/zinc/93/97/02/321939702.db2.gz ZEDWGVBGHIBLEX-QPJJXVBHSA-N 0 3 288.354 3.009 20 30 CGEDHN CC(C)C[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000565782715 322091074 /nfs/dbraw/zinc/09/10/74/322091074.db2.gz JHDFENYRNRIWIV-AWEZNQCLSA-N 0 3 257.381 3.211 20 30 CGEDHN CC(C)OCc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000570566251 322276734 /nfs/dbraw/zinc/27/67/34/322276734.db2.gz LPWOYVGQRYPNKR-UHFFFAOYSA-N 0 3 297.402 3.112 20 30 CGEDHN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571350077 322296349 /nfs/dbraw/zinc/29/63/49/322296349.db2.gz BCOPMWGJXVWWNL-AWEZNQCLSA-N 0 3 298.361 3.080 20 30 CGEDHN C=CCOCCN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000559106945 327141786 /nfs/dbraw/zinc/14/17/86/327141786.db2.gz PEOOPQOSHFTSOY-XJKSGUPXSA-N 0 3 263.356 3.411 20 30 CGEDHN C=CCC(C)(C)CNCc1cn2cc(C)ccc2n1 ZINC000559307228 327157661 /nfs/dbraw/zinc/15/76/61/327157661.db2.gz SADYKUYRPJFNOO-UHFFFAOYSA-N 0 3 257.381 3.335 20 30 CGEDHN C=CCCCCCN1CCN(c2cnccc2C)CC1 ZINC000536360561 327231645 /nfs/dbraw/zinc/23/16/45/327231645.db2.gz HQWHGNMPKORRLB-UHFFFAOYSA-N 0 3 273.424 3.258 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H]2CCO)cc1Cl ZINC000428459681 327380649 /nfs/dbraw/zinc/38/06/49/327380649.db2.gz NEXSJMTYAIYGIO-CQSZACIVSA-N 0 3 295.810 3.252 20 30 CGEDHN N#CCC1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000335870901 327523503 /nfs/dbraw/zinc/52/35/03/327523503.db2.gz ARYITUMADBVMDJ-INIZCTEOSA-N 0 3 276.424 3.494 20 30 CGEDHN COc1ccc([C@@H](CCC#N)NC[C@@H]2CCCCO2)cc1 ZINC000582466236 329088519 /nfs/dbraw/zinc/08/85/19/329088519.db2.gz MJKIUMGUPLXINB-DLBZAZTESA-N 0 3 288.391 3.199 20 30 CGEDHN C=CCSCCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000180458889 329217222 /nfs/dbraw/zinc/21/72/22/329217222.db2.gz NMFVYUAGRVGUOR-OAHLLOKOSA-N 0 3 293.432 3.418 20 30 CGEDHN CC#CCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000185041343 329264888 /nfs/dbraw/zinc/26/48/88/329264888.db2.gz SXIZYIMQUVYJED-GOSISDBHSA-N 0 3 298.430 3.133 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000185632645 329328337 /nfs/dbraw/zinc/32/83/37/329328337.db2.gz IECJFLYVXGFOPK-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC[C@H](CO)NCc1cccc(Cl)c1Cl ZINC000321505290 329366829 /nfs/dbraw/zinc/36/68/29/329366829.db2.gz VJVXXAPGJHQZHG-LLVKDONJSA-N 0 3 274.191 3.410 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccccc1Br ZINC000321520524 329371853 /nfs/dbraw/zinc/37/18/53/329371853.db2.gz XEJRTZZJFXHNQA-NEPJUHHUSA-N 0 3 298.224 3.427 20 30 CGEDHN N#CC1CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000123737878 329562145 /nfs/dbraw/zinc/56/21/45/329562145.db2.gz YVWMEMWACXLFDX-UHFFFAOYSA-N 0 3 277.371 3.484 20 30 CGEDHN CC#CCCNCc1cc(F)cc(C(F)(F)F)c1 ZINC000158346049 329833311 /nfs/dbraw/zinc/83/33/11/329833311.db2.gz OQHGZRQMTLVGEY-UHFFFAOYSA-N 0 3 259.246 3.348 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](CC(F)F)c1ccccc1 ZINC000420988856 329795843 /nfs/dbraw/zinc/79/58/43/329795843.db2.gz BAGHAZGNGKWNOU-ZIAGYGMSSA-N 0 3 269.335 3.300 20 30 CGEDHN COc1cc(Cl)ccc1[C@H](C)NCCCC#N ZINC000421841906 330093906 /nfs/dbraw/zinc/09/39/06/330093906.db2.gz LYCFSSPFRMCLBS-JTQLQIEISA-N 0 3 252.745 3.303 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(Cl)cc1OC ZINC000421848613 330095609 /nfs/dbraw/zinc/09/56/09/330095609.db2.gz AQAYPZRWPCAFOS-DGCLKSJQSA-N 0 3 283.799 3.326 20 30 CGEDHN C=CCCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000279246307 330122428 /nfs/dbraw/zinc/12/24/28/330122428.db2.gz RGGBVQUIVCDPEM-UHFFFAOYSA-N 0 3 286.375 3.190 20 30 CGEDHN COc1ccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)C2CC2)cn1 ZINC000528042129 330305938 /nfs/dbraw/zinc/30/59/38/330305938.db2.gz DETPMCPQFYCAJC-SRCQZFHVSA-N 0 3 285.391 3.213 20 30 CGEDHN C=CCn1cc(CNC[C@H](C)c2cccc(Cl)c2)nn1 ZINC000424171668 330311709 /nfs/dbraw/zinc/31/17/09/330311709.db2.gz MMHSHQCLDYQZRT-LBPRGKRZSA-N 0 3 290.798 3.011 20 30 CGEDHN N#C[C@H]1CC[C@@H](NC/C=C\c2ccc(F)cc2F)C1 ZINC000424194929 330324557 /nfs/dbraw/zinc/32/45/57/330324557.db2.gz MGBHDBMBEQWDMS-OXADCRRVSA-N 0 3 262.303 3.260 20 30 CGEDHN COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000424330779 330342360 /nfs/dbraw/zinc/34/23/60/330342360.db2.gz RCVFLNIYTXYLFD-HZSPNIEDSA-N 0 3 258.365 3.347 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000533299149 330356540 /nfs/dbraw/zinc/35/65/40/330356540.db2.gz DBGFDHNPEGTVAT-KLHDSHLOSA-N 0 3 280.456 3.214 20 30 CGEDHN C=CC[C@H](C)NCc1csc(-c2ccccn2)n1 ZINC000116927554 330488008 /nfs/dbraw/zinc/48/80/08/330488008.db2.gz KQMAWLFQGUFPOL-NSHDSACASA-N 0 3 259.378 3.259 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c1 ZINC000448674290 330781067 /nfs/dbraw/zinc/78/10/67/330781067.db2.gz FPXTWFQANCLLER-SUMWQHHRSA-N 0 3 285.391 3.017 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000442783906 330782938 /nfs/dbraw/zinc/78/29/38/330782938.db2.gz USBMFXIDFIYISN-KOLCDFICSA-N 0 3 299.205 3.082 20 30 CGEDHN N#CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442823482 330785656 /nfs/dbraw/zinc/78/56/56/330785656.db2.gz DFFYXYVCIFQOER-IMJJTQAJSA-N 0 3 253.349 3.313 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@@H](CC)C1 ZINC000449146447 330901643 /nfs/dbraw/zinc/90/16/43/330901643.db2.gz CICZOBFQWVWUOT-CVEARBPZSA-N 0 3 275.392 3.299 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Cl)cc1 ZINC000449516449 330932877 /nfs/dbraw/zinc/93/28/77/330932877.db2.gz AZFFBKXQGPCHLI-GDLCADMTSA-N 0 3 251.757 3.334 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](NCC2(C#N)CCC2)C1(C)C ZINC000450968274 331009158 /nfs/dbraw/zinc/00/91/58/331009158.db2.gz JNYBPNDDDWJHFK-ZIAGYGMSSA-N 0 3 264.413 3.254 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000451479427 331031054 /nfs/dbraw/zinc/03/10/54/331031054.db2.gz MGLODZJNSHEJDV-IAGOWNOFSA-N 0 3 287.378 3.115 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451554484 331034080 /nfs/dbraw/zinc/03/40/80/331034080.db2.gz ZZCTUBSJIHNHPA-UNEWFSDZSA-N 0 3 299.374 3.466 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1Cl ZINC000451595692 331035581 /nfs/dbraw/zinc/03/55/81/331035581.db2.gz DUYGGDIHAXBIDJ-GDLCADMTSA-N 0 3 251.757 3.334 20 30 CGEDHN C=CCC1(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)CCCC1 ZINC000451692987 331039221 /nfs/dbraw/zinc/03/92/21/331039221.db2.gz WOBBQQIGSWWMER-HZPDHXFCSA-N 0 3 290.451 3.208 20 30 CGEDHN COC[C@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000452038239 331051366 /nfs/dbraw/zinc/05/13/66/331051366.db2.gz MGQUAUWZBAQYHX-MRXNPFEDSA-N 0 3 286.419 3.489 20 30 CGEDHN C=CC(C)(C)CN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000453303104 331113534 /nfs/dbraw/zinc/11/35/34/331113534.db2.gz BEYKFFQVMOFBFO-CYBMUJFWSA-N 0 3 284.407 3.439 20 30 CGEDHN C=C(C)CCN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000453331178 331117715 /nfs/dbraw/zinc/11/77/15/331117715.db2.gz ZPZZPEFDMAOBQT-GFCCVEGCSA-N 0 3 288.370 3.332 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(Cl)ccc1OC ZINC000453356747 331121760 /nfs/dbraw/zinc/12/17/60/331121760.db2.gz MLFKUEFKEBEWPO-GDLCADMTSA-N 0 3 281.783 3.343 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)cc1OC ZINC000453374863 331124546 /nfs/dbraw/zinc/12/45/46/331124546.db2.gz WZQJFASSSJBAKX-WQVCFCJDSA-N 0 3 291.391 3.088 20 30 CGEDHN C=CCC1(CN[C@H](c2nnc[nH]2)c2cccnc2)CCCC1 ZINC000453390495 331127240 /nfs/dbraw/zinc/12/72/40/331127240.db2.gz XZZCIDXASOJOJL-HNNXBMFYSA-N 0 3 297.406 3.015 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000456777395 331203096 /nfs/dbraw/zinc/20/30/96/331203096.db2.gz QZSHTZUXSSSYPG-KBMXLJTQSA-N 0 3 270.376 3.236 20 30 CGEDHN C[C@]1(NC(=O)C(C#N)CCc2ccccc2)CC=CCC1 ZINC000458336392 331249289 /nfs/dbraw/zinc/24/92/89/331249289.db2.gz LSUNLKYGMBFCHS-AEFFLSMTSA-N 0 3 282.387 3.374 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000466367233 331393430 /nfs/dbraw/zinc/39/34/30/331393430.db2.gz RHQQFUMMXADFBH-OAHLLOKOSA-N 0 3 295.471 3.105 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccccc1Cl ZINC000489469054 332054468 /nfs/dbraw/zinc/05/44/68/332054468.db2.gz CPYPHZWAVVGUEB-KBPBESRZSA-N 0 3 295.810 3.120 20 30 CGEDHN C#C[C@@H](C)N(C)C/C(C)=C/c1ccccc1COC ZINC000491072550 332147024 /nfs/dbraw/zinc/14/70/24/332147024.db2.gz STDGVNFDLMIGQO-ATGUSINASA-N 0 3 257.377 3.190 20 30 CGEDHN C#C[C@@H](NC[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000491307697 332186942 /nfs/dbraw/zinc/18/69/42/332186942.db2.gz RGJRGJSKQQRLIR-SMDDNHRTSA-N 0 3 265.809 3.357 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC000172173351 335096519 /nfs/dbraw/zinc/09/65/19/335096519.db2.gz PIWBERCZKVVEKP-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000491701977 332296223 /nfs/dbraw/zinc/29/62/23/332296223.db2.gz GRVOEMGEDJJUFL-GJZGRUSLSA-N 0 3 272.392 3.022 20 30 CGEDHN C#C[C@H](NCc1cnc(-c2ccccn2)s1)C(C)(C)C ZINC000491757076 332330082 /nfs/dbraw/zinc/33/00/82/332330082.db2.gz BXLGFMFMAPBBJH-AWEZNQCLSA-N 0 3 285.416 3.343 20 30 CGEDHN C=CCCc1ccccc1NC1CCN(CCOC)CC1 ZINC000502362374 332654777 /nfs/dbraw/zinc/65/47/77/332654777.db2.gz DXLYXFCJPHEYRA-UHFFFAOYSA-N 0 3 288.435 3.328 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H]1NCCCC1(C)C ZINC000575796095 335115833 /nfs/dbraw/zinc/11/58/33/335115833.db2.gz DAXCSWJRDYXDHX-AWEZNQCLSA-N 0 3 292.448 3.041 20 30 CGEDHN CC#CCN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195613 333007718 /nfs/dbraw/zinc/00/77/18/333007718.db2.gz FFRZYWHXMBTVGQ-HNNXBMFYSA-N 0 3 297.320 3.020 20 30 CGEDHN N#CCC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000517707448 333106370 /nfs/dbraw/zinc/10/63/70/333106370.db2.gz QRCXKZCZTWQPQD-UHFFFAOYSA-N 0 3 259.397 3.476 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000185513149 333142302 /nfs/dbraw/zinc/14/23/02/333142302.db2.gz PKOHNLWVJACPMN-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C[C@H](CCO)N(CC#Cc1ccccc1)Cc1ccccc1 ZINC000192145012 333230805 /nfs/dbraw/zinc/23/08/05/333230805.db2.gz CQHZKZYBEKCDOX-GOSISDBHSA-N 0 3 293.410 3.311 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000227351628 333281327 /nfs/dbraw/zinc/28/13/27/333281327.db2.gz KEHWSLZHZBVOIX-UHFFFAOYSA-N 0 3 254.377 3.301 20 30 CGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000174645856 335162018 /nfs/dbraw/zinc/16/20/18/335162018.db2.gz DPEKQXXWXWYPPY-AWEZNQCLSA-N 0 3 293.370 3.238 20 30 CGEDHN C[C@@]1(NCC#Cc2ccccc2Cl)CCO[C@@H]1C1CC1 ZINC000544179606 333919952 /nfs/dbraw/zinc/91/99/52/333919952.db2.gz UNTDSEQGCQTUIF-IAGOWNOFSA-N 0 3 289.806 3.239 20 30 CGEDHN C=C(C)COCCNCc1cccc(-c2cccnc2)c1 ZINC000133941628 334074008 /nfs/dbraw/zinc/07/40/08/334074008.db2.gz HRIXXZVDMMAQDL-UHFFFAOYSA-N 0 3 282.387 3.431 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000076738024 334088422 /nfs/dbraw/zinc/08/84/22/334088422.db2.gz WCZVUHWDLJIGDZ-OAHLLOKOSA-N 0 3 278.440 3.280 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3ncccc3c2)n1 ZINC000136093987 334146357 /nfs/dbraw/zinc/14/63/57/334146357.db2.gz DQPCWPQHLGCFRY-CYBMUJFWSA-N 0 3 293.351 3.490 20 30 CGEDHN CCO[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)C1(CC)CC ZINC000247028063 334274146 /nfs/dbraw/zinc/27/41/46/334274146.db2.gz MFEXUBDDHGYCBH-RBSFLKMASA-N 0 3 277.412 3.003 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000249061164 334326205 /nfs/dbraw/zinc/32/62/05/334326205.db2.gz ZZSAEGMMVLHHDA-SCRDCRAPSA-N 0 3 273.336 3.328 20 30 CGEDHN CCC[C@@H](C)[C@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000566304730 334641709 /nfs/dbraw/zinc/64/17/09/334641709.db2.gz QJMRAIZDSCOUSA-CJNGLKHVSA-N 0 3 279.811 3.078 20 30 CGEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)CC#N ZINC000572582727 334700275 /nfs/dbraw/zinc/70/02/75/334700275.db2.gz VMFITTSWGDHKDM-LBPRGKRZSA-N 0 3 275.352 3.494 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000156482464 334743090 /nfs/dbraw/zinc/74/30/90/334743090.db2.gz PSSIHGWDGKIENO-PKOBYXMFSA-N 0 3 295.430 3.225 20 30 CGEDHN Cc1ccc(CNCCCC#N)cc1Br ZINC000273035912 334760004 /nfs/dbraw/zinc/76/00/04/334760004.db2.gz HJKQVSQTKAFPGY-UHFFFAOYSA-N 0 3 267.170 3.151 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000580571502 335285498 /nfs/dbraw/zinc/28/54/98/335285498.db2.gz LZWCHFZIACGUOC-HNNXBMFYSA-N 0 3 299.374 3.479 20 30 CGEDHN N#Cc1csc(CNCCOc2ccc(F)c(F)c2)c1 ZINC000177697859 335379780 /nfs/dbraw/zinc/37/97/80/335379780.db2.gz BCCKMFVFSFJTJJ-UHFFFAOYSA-N 0 3 294.326 3.067 20 30 CGEDHN CCO[C@@H]1C[C@@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000580868419 335976906 /nfs/dbraw/zinc/97/69/06/335976906.db2.gz XOBMNLMUOWJLTR-IXDOHACOSA-N 0 3 270.376 3.093 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000381973880 336079184 /nfs/dbraw/zinc/07/91/84/336079184.db2.gz KUSFVHXASZNWDL-LBPRGKRZSA-N 0 3 290.835 3.412 20 30 CGEDHN Cc1cn[nH]c1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000356053746 533988329 /nfs/dbraw/zinc/98/83/29/533988329.db2.gz AWBHVVMASNXPFH-UHFFFAOYSA-N 0 3 268.364 3.000 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)CC1CCCC1 ZINC000425534907 534081245 /nfs/dbraw/zinc/08/12/45/534081245.db2.gz MNAMYOKJYZZLMN-KBXCAEBGSA-N 0 3 286.419 3.492 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000347072325 534281822 /nfs/dbraw/zinc/28/18/22/534281822.db2.gz PYFHYNDSOGBEMX-NXEZZACHSA-N 0 3 284.281 3.384 20 30 CGEDHN Cc1ccnc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1C#N ZINC000439127765 534403482 /nfs/dbraw/zinc/40/34/82/534403482.db2.gz KODZGHXIPRXPRL-YOEHRIQHSA-N 0 3 294.402 3.365 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](CC)c1ccccc1OC(F)F ZINC000186707328 519107275 /nfs/dbraw/zinc/10/72/75/519107275.db2.gz NHMMKACGDNIWIA-WCQYABFASA-N 0 3 285.334 3.266 20 30 CGEDHN CN(C)Cc1cccc(C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000156200033 521921432 /nfs/dbraw/zinc/92/14/32/521921432.db2.gz ICMMOYODKPKLQH-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC000347937260 526444785 /nfs/dbraw/zinc/44/47/85/526444785.db2.gz JKNUNJWVDYCAJL-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](CC)CC(F)(F)F ZINC000354551726 526537327 /nfs/dbraw/zinc/53/73/27/526537327.db2.gz YDTUYUAPJSFUSY-VXGBXAGGSA-N 0 3 294.361 3.120 20 30 CGEDHN C=CCNC(=O)CN[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000347333160 526573198 /nfs/dbraw/zinc/57/31/98/526573198.db2.gz JGYMRQKDUGRKEV-KRWDZBQOSA-N 0 3 286.419 3.079 20 30 CGEDHN C=CCCC1(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000353683027 527090952 /nfs/dbraw/zinc/09/09/52/527090952.db2.gz GLYMYTNTILYRJW-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352256538 527467952 /nfs/dbraw/zinc/46/79/52/527467952.db2.gz JGOACEHCQBMFLW-DLBZAZTESA-N 0 3 286.419 3.024 20 30 CGEDHN CC(C)OCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358574458 527949946 /nfs/dbraw/zinc/94/99/46/527949946.db2.gz RZLZKAPYZOFTSB-GFCCVEGCSA-N 0 3 264.344 3.163 20 30 CGEDHN CC(C)COCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358571188 528095892 /nfs/dbraw/zinc/09/58/92/528095892.db2.gz OOLNBQHNHKVJRT-CYBMUJFWSA-N 0 3 278.371 3.411 20 30 CGEDHN CC(C)COc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354467214 528167154 /nfs/dbraw/zinc/16/71/54/528167154.db2.gz KWHLIFWPIHKBIM-HNNXBMFYSA-N 0 3 295.342 3.001 20 30 CGEDHN CCCCOc1ccc(CNC(=O)C(C)C#N)cc1Cl ZINC000347383365 528674612 /nfs/dbraw/zinc/67/46/12/528674612.db2.gz WNJKJZGQGYTLTI-NSHDSACASA-N 0 3 294.782 3.295 20 30 CGEDHN CC1(C#N)CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000335973964 528841374 /nfs/dbraw/zinc/84/13/74/528841374.db2.gz ATSLKJVFCZKKPI-HZPDHXFCSA-N 0 3 254.377 3.416 20 30 CGEDHN CC[C@H](CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352834141 529362169 /nfs/dbraw/zinc/36/21/69/529362169.db2.gz KYUWYGYGOVAGGX-GFCCVEGCSA-N 0 3 271.389 3.298 20 30 CGEDHN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000492872029 534950146 /nfs/dbraw/zinc/95/01/46/534950146.db2.gz KDGKHNXPVMSEHP-HYVNUMGLSA-N 0 3 299.418 3.033 20 30 CGEDHN CCOc1cccc([C@@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000190905311 535472429 /nfs/dbraw/zinc/47/24/29/535472429.db2.gz UIIHPLVRQXFEAQ-CYBMUJFWSA-N 0 3 283.375 3.146 20 30 CGEDHN CC[C@](C)(CN[C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000453308619 535826947 /nfs/dbraw/zinc/82/69/47/535826947.db2.gz WJOIEJDULXTGKJ-IAQYHMDHSA-N 0 3 264.344 3.163 20 30 CGEDHN CCCN(CCC)c1ccc(C=NOCCOC)cc1 ZINC000748791595 571686101 /nfs/dbraw/zinc/68/61/01/571686101.db2.gz KNQCIWKRPRJWSF-UHFFFAOYSA-N 0 3 278.396 3.310 20 30 CGEDHN CC(C)N(Cc1ccc(OCC#N)cc1)Cc1ccccn1 ZINC000731211398 572401831 /nfs/dbraw/zinc/40/18/31/572401831.db2.gz JDFKLVKIZIEDDF-UHFFFAOYSA-N 0 3 295.386 3.395 20 30 CGEDHN C[C@H]1CC(N=Nc2cccc3ncccc23)CCN1C ZINC000741459778 572499542 /nfs/dbraw/zinc/49/95/42/572499542.db2.gz HOUYSUKORKLVJF-LBPRGKRZSA-N 0 3 268.364 3.117 20 30 CGEDHN Cc1cc(O)c(CNCc2cc(C#N)ccc2F)cc1C ZINC000742382037 572572875 /nfs/dbraw/zinc/57/28/75/572572875.db2.gz YOWSEFIYAZTSCL-UHFFFAOYSA-N 0 3 284.334 3.310 20 30 CGEDHN C#CCCCNCc1csc(-c2ccc(OC)cc2)n1 ZINC000742385137 572574192 /nfs/dbraw/zinc/57/41/92/572574192.db2.gz SGZOXOLBVPFPTK-UHFFFAOYSA-N 0 3 286.400 3.322 20 30 CGEDHN C=CC[C@H](NCc1ccc2[nH]cnc2c1)c1ccncc1 ZINC000734508681 572661630 /nfs/dbraw/zinc/66/16/30/572661630.db2.gz BSERHVMXYGAIFT-HNNXBMFYSA-N 0 3 278.359 3.365 20 30 CGEDHN C=CC[C@H](NCc1ccc2nc[nH]c2c1)c1ccncc1 ZINC000734508681 572661634 /nfs/dbraw/zinc/66/16/34/572661634.db2.gz BSERHVMXYGAIFT-HNNXBMFYSA-N 0 3 278.359 3.365 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(F)cc1F)C1CCCCC1 ZINC000744213939 572724270 /nfs/dbraw/zinc/72/42/70/572724270.db2.gz XEZBELLIYRVOCR-KRWDZBQOSA-N 0 3 293.357 3.266 20 30 CGEDHN C(#Cc1ccccc1)CNCc1ccc2cccnc2c1 ZINC000736355786 572783676 /nfs/dbraw/zinc/78/36/76/572783676.db2.gz XZHFXWNUTFXNQR-UHFFFAOYSA-N 0 3 272.351 3.376 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1C)C1CCCCC1 ZINC000746662569 572889277 /nfs/dbraw/zinc/88/92/77/572889277.db2.gz FFQZVUYDECVYKJ-GOSISDBHSA-N 0 3 289.394 3.435 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2c(C)coc2C)CC1 ZINC000981089423 613255145 /nfs/dbraw/zinc/25/51/45/613255145.db2.gz SGQNWJBSQOCATA-UHFFFAOYSA-N 0 3 290.407 3.011 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2oc(C)cc2C)CC1 ZINC000980925922 613255829 /nfs/dbraw/zinc/25/58/29/613255829.db2.gz BRNNPQNHCDCAOI-UHFFFAOYSA-N 0 3 290.407 3.011 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000947968384 613267742 /nfs/dbraw/zinc/26/77/42/613267742.db2.gz YQFDVLSNEJEHGI-QAPCUYQASA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968188890 613332053 /nfs/dbraw/zinc/33/20/53/613332053.db2.gz DVOPCJXDNRFXNC-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977629877 613341256 /nfs/dbraw/zinc/34/12/56/613341256.db2.gz YTKNIQQCMXFKHV-INIZCTEOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C(C)(C)C)C[C@@H]2C1 ZINC000980226201 613381527 /nfs/dbraw/zinc/38/15/27/613381527.db2.gz PGYKGSQQSVGJRM-MJBXVCDLSA-N 0 3 298.858 3.002 20 30 CGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709093 613531813 /nfs/dbraw/zinc/53/18/13/613531813.db2.gz HCXKBBNNZFLXDA-GXTWGEPZSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763075 613746431 /nfs/dbraw/zinc/74/64/31/613746431.db2.gz CDHOZMDZHAGEJK-QAPCUYQASA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)sc2C)C[C@H]1C ZINC000947515638 613750068 /nfs/dbraw/zinc/75/00/68/613750068.db2.gz MPFZEWLORVVBEU-BXUZGUMPSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@@H](C)C1 ZINC000943290673 613788345 /nfs/dbraw/zinc/78/83/45/613788345.db2.gz YRLQOIVSPDTXKI-JQWIXIFHSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@@H](C)C1 ZINC000943332836 613799180 /nfs/dbraw/zinc/79/91/80/613799180.db2.gz FNHVIDXJWKNTJD-JQWIXIFHSA-N 0 3 298.839 3.028 20 30 CGEDHN C#CCCCCCCN[C@H](c1ncccn1)C1CC1 ZINC000932352906 617682780 /nfs/dbraw/zinc/68/27/80/617682780.db2.gz VQGZQIHMSNBTBP-HNNXBMFYSA-N 0 3 257.381 3.101 20 30 CGEDHN C#CCCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000070197454 617950042 /nfs/dbraw/zinc/95/00/42/617950042.db2.gz UROASAGNEVCUAV-GOSISDBHSA-N 0 3 265.356 3.398 20 30 CGEDHN Cc1csc(C[C@H]2CCN(CC3(CC#N)CC3)C2)n1 ZINC000933128469 618159430 /nfs/dbraw/zinc/15/94/30/618159430.db2.gz UUHIUSISGOUUKF-CYBMUJFWSA-N 0 3 275.421 3.010 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001022271577 618248678 /nfs/dbraw/zinc/24/86/78/618248678.db2.gz GPBQQVDGBWBSIH-SOUVJXGZSA-N 0 3 296.842 3.112 20 30 CGEDHN CN(Cc1csc(C#N)c1)C1Cc2ccccc2C1 ZINC000891786328 618296977 /nfs/dbraw/zinc/29/69/77/618296977.db2.gz LNHYBZOBLFRJCE-UHFFFAOYSA-N 0 3 268.385 3.219 20 30 CGEDHN CO[C@H](CN(C)Cc1cc(C#N)cs1)C1CCCC1 ZINC000933770752 618322254 /nfs/dbraw/zinc/32/22/54/618322254.db2.gz MNPRNFAFAUQRSL-OAHLLOKOSA-N 0 3 278.421 3.257 20 30 CGEDHN CN(CCCc1cccnc1)Cc1cc(C#N)cs1 ZINC000933770076 618322747 /nfs/dbraw/zinc/32/27/47/618322747.db2.gz GMNQBTFUTCKTJB-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN CC(C)(C)[C@@H](N)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900611808 620802901 /nfs/dbraw/zinc/80/29/01/620802901.db2.gz ITMUVYFMRMENMM-AWEZNQCLSA-N 0 3 289.427 3.188 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)c1cnn(CC2CCC2)c1 ZINC000934558176 618645693 /nfs/dbraw/zinc/64/56/93/618645693.db2.gz ANWVZNVXUVECRG-CHWSQXEVSA-N 0 3 260.385 3.026 20 30 CGEDHN Cc1cc(CNCc2ccc(C#N)cc2)c2c(n1)CCCC2 ZINC000892603644 618871957 /nfs/dbraw/zinc/87/19/57/618871957.db2.gz PEYAKLADJHOLBX-UHFFFAOYSA-N 0 3 291.398 3.430 20 30 CGEDHN C[C@@H](C[C@H](O)c1ccccc1)NCC#Cc1ccccc1 ZINC000893267791 619054490 /nfs/dbraw/zinc/05/44/90/619054490.db2.gz XBTRQMTTZRNFJV-LPHOPBHVSA-N 0 3 279.383 3.140 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000775573732 619077753 /nfs/dbraw/zinc/07/77/53/619077753.db2.gz JJGAJHSKSUSTTJ-HYVNUMGLSA-N 0 3 257.377 3.135 20 30 CGEDHN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccccc2)cc1C ZINC000162418191 619083106 /nfs/dbraw/zinc/08/31/06/619083106.db2.gz SLUMZHQFIFECAW-CYBMUJFWSA-N 0 3 296.326 3.112 20 30 CGEDHN C=C[C@H](Cc1ccccc1)OC(=O)C1CCN(C2CC2)CC1 ZINC000893449810 619178148 /nfs/dbraw/zinc/17/81/48/619178148.db2.gz GUOLQIVXQLHHHA-GOSISDBHSA-N 0 3 299.414 3.201 20 30 CGEDHN C#C[C@@H](NC1CCC(C)(O)CC1)c1ccc(Cl)cc1 ZINC000894551877 619574187 /nfs/dbraw/zinc/57/41/87/619574187.db2.gz ALWVQQKAHNTUDJ-HWOWSKLDSA-N 0 3 277.795 3.298 20 30 CGEDHN C[C@@]1(Br)C[C@H]1CNCC1(C#N)CCCCC1 ZINC000895404100 619823787 /nfs/dbraw/zinc/82/37/87/619823787.db2.gz PVKRVJFZFXECMG-NWDGAFQWSA-N 0 3 285.229 3.224 20 30 CGEDHN C=CCCC(C)(C)NCc1cn(Cc2ccccc2)nn1 ZINC000895470709 619835203 /nfs/dbraw/zinc/83/52/03/619835203.db2.gz AKZJSMJFFQDQNF-UHFFFAOYSA-N 0 3 284.407 3.161 20 30 CGEDHN C=CCCCN(CC)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000896009375 619929177 /nfs/dbraw/zinc/92/91/77/619929177.db2.gz AVMWKJBMYINYOQ-MRXNPFEDSA-N 0 3 293.455 3.001 20 30 CGEDHN C[C@@H]1C[C@H](NCc2cccc(F)c2C#N)CCS1 ZINC000896950694 620111880 /nfs/dbraw/zinc/11/18/80/620111880.db2.gz DWFPAHVRGHRZCH-ZYHUDNBSSA-N 0 3 264.369 3.071 20 30 CGEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CCC2(CCC2)O1 ZINC000897246529 620172130 /nfs/dbraw/zinc/17/21/30/620172130.db2.gz WDJXOUQSTYVEIY-AWEZNQCLSA-N 0 3 288.366 3.279 20 30 CGEDHN COc1c(Cl)cccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000897481444 620348007 /nfs/dbraw/zinc/34/80/07/620348007.db2.gz DWVILDOEXKPCIV-CMPLNLGQSA-N 0 3 264.756 3.130 20 30 CGEDHN CSC1(CN(C)Cc2cc(C#N)cs2)CCC1 ZINC000897624637 620412360 /nfs/dbraw/zinc/41/23/60/620412360.db2.gz SPACHRRBYVGWFY-UHFFFAOYSA-N 0 3 266.435 3.337 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@@H]1C[C@H]1c1cccs1 ZINC000897630249 620414266 /nfs/dbraw/zinc/41/42/66/620414266.db2.gz URQHRVZSQICYCZ-ZMLRMANQSA-N 0 3 289.429 3.358 20 30 CGEDHN CC1(C)C[C@H](NCc2cc(C#N)cnc2Cl)CCS1 ZINC000897794428 620432677 /nfs/dbraw/zinc/43/26/77/620432677.db2.gz VEOPGBXALWFFHF-GFCCVEGCSA-N 0 3 295.839 3.370 20 30 CGEDHN C=CCCC[N@@H+](CC)Cc1ccc(OC)c(OC)c1[O-] ZINC000898244872 620496468 /nfs/dbraw/zinc/49/64/68/620496468.db2.gz SPJURWZBWCYNBE-UHFFFAOYSA-N 0 3 279.380 3.198 20 30 CGEDHN C=CCCC[N@H+](CC)Cc1ccc(OC)c(OC)c1[O-] ZINC000898244872 620496469 /nfs/dbraw/zinc/49/64/69/620496469.db2.gz SPJURWZBWCYNBE-UHFFFAOYSA-N 0 3 279.380 3.198 20 30 CGEDHN N#Cc1csc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000898324907 620506756 /nfs/dbraw/zinc/50/67/56/620506756.db2.gz LYQAKJNNUQHXCH-HNNXBMFYSA-N 0 3 269.373 3.256 20 30 CGEDHN C=CCCCN(CC)Cn1nccc1-c1ccncc1 ZINC000902669044 621396427 /nfs/dbraw/zinc/39/64/27/621396427.db2.gz IBSLRLJLXCWUSG-UHFFFAOYSA-N 0 3 270.380 3.191 20 30 CGEDHN CC[C@@H](NCc1cccnc1)c1cccc(C#N)c1 ZINC000902721212 621409893 /nfs/dbraw/zinc/40/98/93/621409893.db2.gz WDCXUNYSXBTWGA-MRXNPFEDSA-N 0 3 251.333 3.194 20 30 CGEDHN C[C@@H](NCCCOc1ccccc1)c1cc(C#N)ccn1 ZINC000902730706 621415126 /nfs/dbraw/zinc/41/51/26/621415126.db2.gz SBEGDRYLBRJLLF-CQSZACIVSA-N 0 3 281.359 3.073 20 30 CGEDHN Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902886168 621484223 /nfs/dbraw/zinc/48/42/23/621484223.db2.gz LWKJKBKVLQBEFS-MNOVXSKESA-N 0 3 284.363 3.012 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](N[C@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902956337 621505856 /nfs/dbraw/zinc/50/58/56/621505856.db2.gz HPSYMVYINFITJT-UHOFOFEASA-N 0 3 287.407 3.196 20 30 CGEDHN Cc1ccc(C(C)(C)CN[C@@H](C)c2cc(C#N)ccn2)nc1 ZINC000903069173 621568498 /nfs/dbraw/zinc/56/84/98/621568498.db2.gz CDAQBLHYULWKKT-AWEZNQCLSA-N 0 3 294.402 3.285 20 30 CGEDHN CC(C)[C@H](COCc1ccccc1)NCC(C)(C)C#N ZINC000903101375 621574842 /nfs/dbraw/zinc/57/48/42/621574842.db2.gz GOBXIIOAWNOJKN-INIZCTEOSA-N 0 3 274.408 3.367 20 30 CGEDHN C=CCC[C@H](NCC1(C#N)CC1)[C@@]1(C)CCCCO1 ZINC000903109601 621582450 /nfs/dbraw/zinc/58/24/50/621582450.db2.gz SFYUDYGKSLTTCX-LSDHHAIUSA-N 0 3 262.397 3.174 20 30 CGEDHN Cc1ccc(O)c([C@H](C)NCC2(C#N)CCCC2)c1 ZINC000903109742 621583788 /nfs/dbraw/zinc/58/37/88/621583788.db2.gz UEVYNIJCHMALOZ-ZDUSSCGKSA-N 0 3 258.365 3.435 20 30 CGEDHN C=CCC[C@@H](NCc1nc(CN(C)C)cs1)C1CC1 ZINC000903222864 621633851 /nfs/dbraw/zinc/63/38/51/621633851.db2.gz MUQKJVKEGWQILS-CQSZACIVSA-N 0 3 279.453 3.039 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccn2)C2CC2)C1 ZINC000903335469 621692819 /nfs/dbraw/zinc/69/28/19/621692819.db2.gz QCHANSPTQJIKIT-XNRPHZJLSA-N 0 3 255.365 3.205 20 30 CGEDHN C=CCC[C@H](N[C@@H]1COC[C@H]1C1CC1)c1ccco1 ZINC000903438600 621746993 /nfs/dbraw/zinc/74/69/93/621746993.db2.gz VTZHPILWASMOSJ-SOUVJXGZSA-N 0 3 261.365 3.302 20 30 CGEDHN CC1/C(=C\c2ccc(C3CCC3)cc2)C(=O)c2ncnn21 ZINC000905085642 622033548 /nfs/dbraw/zinc/03/35/48/622033548.db2.gz OWRBEWRDQJMHSA-BTAWCLGRSA-N 0 3 279.343 3.387 20 30 CGEDHN CC1/C(=C\c2csc(C(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905087318 622033820 /nfs/dbraw/zinc/03/38/20/622033820.db2.gz XGHNMFHXEPLHCD-ONJTYKPQSA-N 0 3 299.277 3.199 20 30 CGEDHN CC1/C(=C/c2cscc2C(F)(F)F)C(=O)c2ncnn21 ZINC000905086933 622033855 /nfs/dbraw/zinc/03/38/55/622033855.db2.gz URDNERAGJDVCNZ-WNGQPZJSSA-N 0 3 299.277 3.199 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(SC)c1 ZINC000911904857 622568058 /nfs/dbraw/zinc/56/80/58/622568058.db2.gz VAKYGJJBWGNTHL-CYBMUJFWSA-N 0 3 264.394 3.031 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000912070132 622596641 /nfs/dbraw/zinc/59/66/41/622596641.db2.gz ZFLQRZMFTPTJBY-CHWSQXEVSA-N 0 3 278.421 3.095 20 30 CGEDHN C=CCc1cc(C[N@H+](C)CCC2CC2)c([O-])c(OC)c1 ZINC000164539648 622837761 /nfs/dbraw/zinc/83/77/61/622837761.db2.gz LXMQZYLPGXEIPS-UHFFFAOYSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCc1cc(C[N@@H+](C)CCC2CC2)c([O-])c(OC)c1 ZINC000164539648 622837764 /nfs/dbraw/zinc/83/77/64/622837764.db2.gz LXMQZYLPGXEIPS-UHFFFAOYSA-N 0 3 275.392 3.361 20 30 CGEDHN Cc1cccc([C@H]2CCN(Cc3cccc(C#N)n3)C2)c1 ZINC000602608548 623074839 /nfs/dbraw/zinc/07/48/39/623074839.db2.gz NQICCNDXQIEUGD-INIZCTEOSA-N 0 3 277.371 3.251 20 30 CGEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cncc(C#N)c1 ZINC000929676286 623504765 /nfs/dbraw/zinc/50/47/65/623504765.db2.gz MZPBESAZWPUPRP-SUMWQHHRSA-N 0 3 295.361 3.470 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993312486 624010643 /nfs/dbraw/zinc/01/06/43/624010643.db2.gz NGDSFAXJZHXNCS-GOEBONIOSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC000994503102 624244079 /nfs/dbraw/zinc/24/40/79/624244079.db2.gz DTGVWRBSIZKHEM-NEPJUHHUSA-N 0 3 296.411 3.046 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCCCO2)c([O-])c1 ZINC000920387283 624489488 /nfs/dbraw/zinc/48/94/88/624489488.db2.gz OLYWMZJOHAKEJC-UWCCDQBKSA-N 0 3 290.407 3.226 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC=CCC1 ZINC000873495221 634390111 /nfs/dbraw/zinc/39/01/11/634390111.db2.gz GHMPFPVDQHHZLF-AWEZNQCLSA-N 0 3 293.370 3.496 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC1CCC1 ZINC000175084350 624612465 /nfs/dbraw/zinc/61/24/65/624612465.db2.gz FRSXCPMXFZBOGM-CYBMUJFWSA-N 0 3 281.359 3.330 20 30 CGEDHN C=C(Br)CN[C@@H]1CCC[C@H]1SCC ZINC000233839100 624649116 /nfs/dbraw/zinc/64/91/16/624649116.db2.gz RQQYGKRVKDKQCX-NXEZZACHSA-N 0 3 264.232 3.159 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000237702307 624675279 /nfs/dbraw/zinc/67/52/79/624675279.db2.gz XUFAFAYZXPHTQH-AWEZNQCLSA-N 0 3 291.354 3.139 20 30 CGEDHN C#CCCCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180940973 624794984 /nfs/dbraw/zinc/79/49/84/624794984.db2.gz NZUICGXUAJQTLW-QGZVFWFLSA-N 0 3 285.366 3.042 20 30 CGEDHN C=CCNC(=O)CN[C@H](CCCCC)c1ccccc1 ZINC000181746053 624892287 /nfs/dbraw/zinc/89/22/87/624892287.db2.gz JDTRPKDMWDFGDC-MRXNPFEDSA-N 0 3 274.408 3.200 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2CCC(=C)CC2)C1 ZINC000999342830 625828752 /nfs/dbraw/zinc/82/87/52/625828752.db2.gz FSFDRENBJHLDEB-UHFFFAOYSA-N 0 3 296.842 3.064 20 30 CGEDHN N#Cc1cc(CNC[C@H]2OCCc3ccccc32)cs1 ZINC000921738816 625858535 /nfs/dbraw/zinc/85/85/35/625858535.db2.gz WWWNBSJKCCBRAG-MRXNPFEDSA-N 0 3 284.384 3.023 20 30 CGEDHN N#Cc1cc(CNC[C@@H]2CCC3(CCC3)CO2)cs1 ZINC000922339301 626000394 /nfs/dbraw/zinc/00/03/94/626000394.db2.gz PBEKDHGJKJFTQE-ZDUSSCGKSA-N 0 3 276.405 3.059 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001005627895 626094062 /nfs/dbraw/zinc/09/40/62/626094062.db2.gz DZSCICCBFSUNMF-DOTOQJQBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cc(C3CC3)n(C)n2)C1 ZINC000922955875 626108163 /nfs/dbraw/zinc/10/81/63/626108163.db2.gz PGRMLNKWIRXKMO-JSGCOSHPSA-N 0 3 259.397 3.132 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CCOC1)c1ccc2ccccc2n1 ZINC000751825895 626406375 /nfs/dbraw/zinc/40/63/75/626406375.db2.gz MCVATRSRSQVLGE-ZFWWWQNUSA-N 0 3 294.354 3.228 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(OC(F)F)cc1 ZINC000755890037 626655994 /nfs/dbraw/zinc/65/59/94/626655994.db2.gz NQORZDAXPRYHNY-JTQLQIEISA-N 0 3 295.333 3.170 20 30 CGEDHN C=CCCOCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756777161 626731503 /nfs/dbraw/zinc/73/15/03/626731503.db2.gz WEVKNTBKBGLPRP-DGCLKSJQSA-N 0 3 279.355 3.262 20 30 CGEDHN CC(C)(C)[C@H](NCn1cccc(C#N)c1=O)c1ccccc1 ZINC000758202784 626833021 /nfs/dbraw/zinc/83/30/21/626833021.db2.gz ATHYMIIFBMISIA-MRXNPFEDSA-N 0 3 295.386 3.054 20 30 CGEDHN C#CCCN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000760809381 626993448 /nfs/dbraw/zinc/99/34/48/626993448.db2.gz QXOVNALAVMGSHE-UHFFFAOYSA-N 0 3 269.388 3.221 20 30 CGEDHN C=C(Cl)CN(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760879249 626999015 /nfs/dbraw/zinc/99/90/15/626999015.db2.gz SUIWKMLIOAMZIS-MRXNPFEDSA-N 0 3 278.827 3.335 20 30 CGEDHN CC(=NNCc1cccc(C)c1)c1ccc(N)cc1 ZINC000764708983 627219588 /nfs/dbraw/zinc/21/95/88/627219588.db2.gz IYSYTAPPLVTJHX-UHFFFAOYSA-N 0 3 253.349 3.091 20 30 CGEDHN C=CCN1CCC(NC(=O)C(C)(C)C2CCCCC2)CC1 ZINC000766866101 627364779 /nfs/dbraw/zinc/36/47/79/627364779.db2.gz SNXHESJAYUGIDO-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCCCN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000766902556 627369181 /nfs/dbraw/zinc/36/91/81/627369181.db2.gz KOTKXOFNAYKMKL-HNNXBMFYSA-N 0 3 290.838 3.432 20 30 CGEDHN C=CC[C@@H](N[C@H](C)c1ccncc1)c1ccncc1 ZINC000768403996 627479074 /nfs/dbraw/zinc/47/90/74/627479074.db2.gz SWLFDCXXJNOQHQ-CZUORRHYSA-N 0 3 253.349 3.445 20 30 CGEDHN C#CCN(Cc1cccc(OCC)n1)C1CCCCC1 ZINC000769145626 627526284 /nfs/dbraw/zinc/52/62/84/627526284.db2.gz KIUUEYNRRABNEC-UHFFFAOYSA-N 0 3 272.392 3.248 20 30 CGEDHN C#CCCOc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1 ZINC000769446331 627552887 /nfs/dbraw/zinc/55/28/87/627552887.db2.gz NIKLGRPXPAQVRW-LSDHHAIUSA-N 0 3 289.444 3.415 20 30 CGEDHN C#CC[N@@H+](Cc1ccc(OCC)cc1[O-])C1CCCC1 ZINC000769531883 627562949 /nfs/dbraw/zinc/56/29/49/627562949.db2.gz YYYGXSHKWDTOLB-UHFFFAOYSA-N 0 3 273.376 3.169 20 30 CGEDHN C#CC[N@H+](Cc1ccc(OCC)cc1[O-])C1CCCC1 ZINC000769531883 627562954 /nfs/dbraw/zinc/56/29/54/627562954.db2.gz YYYGXSHKWDTOLB-UHFFFAOYSA-N 0 3 273.376 3.169 20 30 CGEDHN C#CCOc1ccccc1CN1CCCC2(CC2)C1 ZINC000770678121 627636989 /nfs/dbraw/zinc/63/69/89/627636989.db2.gz ZCLQOJDUCNNHBD-UHFFFAOYSA-N 0 3 255.361 3.075 20 30 CGEDHN C[C@@H](C#N)CNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000771101316 627683014 /nfs/dbraw/zinc/68/30/14/627683014.db2.gz YCHZCTGBKOMRNN-KVLVREFKSA-N 0 3 282.391 3.033 20 30 CGEDHN C=C(CC)CN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000773430298 627883134 /nfs/dbraw/zinc/88/31/34/627883134.db2.gz XMEHKZRCNYXCCB-AWEZNQCLSA-N 0 3 282.428 3.284 20 30 CGEDHN CCCCCCCCN(C)C[C@H](O)C(F)(F)F ZINC000774772426 628026779 /nfs/dbraw/zinc/02/67/79/628026779.db2.gz PWIUGXSLJQRYFZ-NSHDSACASA-N 0 3 255.324 3.202 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1C ZINC000775184039 628068859 /nfs/dbraw/zinc/06/88/59/628068859.db2.gz SYHVHLVTQLXMOJ-LLVKDONJSA-N 0 3 255.283 3.467 20 30 CGEDHN C#CC[C@@H](NCC[S@@](=O)c1ccccc1)c1ccccc1 ZINC000775404413 628091691 /nfs/dbraw/zinc/09/16/91/628091691.db2.gz MPGFYFUCLVOKCO-WIYYLYMNSA-N 0 3 297.423 3.148 20 30 CGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccccc1Cl ZINC000776182642 628177237 /nfs/dbraw/zinc/17/72/37/628177237.db2.gz CCOCGEDJTIGVHP-UHFFFAOYSA-N 0 3 274.755 3.247 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1C[C@H]1C ZINC000778155902 628328975 /nfs/dbraw/zinc/32/89/75/628328975.db2.gz LURBEMZOOFOSCM-VXGBXAGGSA-N 0 3 263.768 3.098 20 30 CGEDHN CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000780251582 628472086 /nfs/dbraw/zinc/47/20/86/628472086.db2.gz VSLHJPAATNFGRN-HNNXBMFYSA-N 0 3 289.423 3.024 20 30 CGEDHN COc1ccccc1CCCN(CCC#N)CC(C)C ZINC000780289721 628478718 /nfs/dbraw/zinc/47/87/18/628478718.db2.gz QSLCOTNFGULRKF-UHFFFAOYSA-N 0 3 274.408 3.499 20 30 CGEDHN CCN(C)c1ccc(C=NN[C@H]2CCCC2(C)C)cn1 ZINC000782301674 628636530 /nfs/dbraw/zinc/63/65/30/628636530.db2.gz QXMHTMWGNRTQRX-AWEZNQCLSA-N 0 3 274.412 3.040 20 30 CGEDHN N#Cc1ccc(CNC2CC(c3cccc(F)c3)C2)nc1 ZINC000783292922 628699433 /nfs/dbraw/zinc/69/94/33/628699433.db2.gz DUBPBMBUXLDWNU-UHFFFAOYSA-N 0 3 281.334 3.128 20 30 CGEDHN C#Cc1ccc(CN[C@H]2CCc3c2cccc3OC)cc1 ZINC000787778975 629029937 /nfs/dbraw/zinc/02/99/37/629029937.db2.gz YIRZVSWNOOEUGQ-SFHVURJKSA-N 0 3 277.367 3.454 20 30 CGEDHN C#CC(C)(C)N(C)CCOc1ccccc1Br ZINC000787998060 629038265 /nfs/dbraw/zinc/03/82/65/629038265.db2.gz WFJWIFJKTVFAFM-UHFFFAOYSA-N 0 3 296.208 3.172 20 30 CGEDHN COc1cc(N=NC2C[C@H](C)N(C3CC3)C2)ccc1Cl ZINC000788467265 629056336 /nfs/dbraw/zinc/05/63/36/629056336.db2.gz IHAZVPCNNSNDSR-JTQLQIEISA-N 0 3 293.798 3.373 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H]2CCC[C@H](C)C2)n1 ZINC000789325336 629124284 /nfs/dbraw/zinc/12/42/84/629124284.db2.gz CMRGYESJYMTDPP-HOTGVXAUSA-N 0 3 273.424 3.165 20 30 CGEDHN C#CCN(Cc1ccc(-c2cc[nH]n2)o1)C1CCCCC1 ZINC000789727850 629164950 /nfs/dbraw/zinc/16/49/50/629164950.db2.gz JGIYQIHTLOLVRX-UHFFFAOYSA-N 0 3 283.375 3.438 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCCC[C@H]2C)n1 ZINC000789761802 629166064 /nfs/dbraw/zinc/16/60/64/629166064.db2.gz JABMHFSVXPKDSV-CVEARBPZSA-N 0 3 273.424 3.165 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)CC1(OC)CCCC1 ZINC000792166234 629342591 /nfs/dbraw/zinc/34/25/91/629342591.db2.gz UHNDKQSLBOSAAO-UHFFFAOYSA-N 0 3 275.367 3.220 20 30 CGEDHN C=CC[C@H]1CC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000862441080 629373177 /nfs/dbraw/zinc/37/31/77/629373177.db2.gz OEHNATSTLNFOTH-ZDUSSCGKSA-N 0 3 261.365 3.189 20 30 CGEDHN C=CC[C@H]1CC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000862441080 629373194 /nfs/dbraw/zinc/37/31/94/629373194.db2.gz OEHNATSTLNFOTH-ZDUSSCGKSA-N 0 3 261.365 3.189 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(Cl)c(OC)c2)C1 ZINC000862446564 629379372 /nfs/dbraw/zinc/37/93/72/629379372.db2.gz ALFGQAFFJUMGKQ-LBPRGKRZSA-N 0 3 263.768 3.194 20 30 CGEDHN Cc1cc(NN=C(C[C@H]2CCOC2)c2ccccc2)ccn1 ZINC000863159228 629484287 /nfs/dbraw/zinc/48/42/87/629484287.db2.gz IKBGEOPIBYCBQK-OAHLLOKOSA-N 0 3 295.386 3.055 20 30 CGEDHN C#C[C@H](N[C@H](CC)c1cccc(C)c1)[C@H]1CCCO1 ZINC000796948346 629863987 /nfs/dbraw/zinc/86/39/87/629863987.db2.gz KODINKFMFNXPSG-IXDOHACOSA-N 0 3 257.377 3.217 20 30 CGEDHN Cc1ccsc1CNCc1cc(C#N)ccc1N(C)C ZINC000865431274 630118358 /nfs/dbraw/zinc/11/83/58/630118358.db2.gz AVCVMPMLOHSDRJ-UHFFFAOYSA-N 0 3 285.416 3.284 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CNCC1(C(F)(F)F)CC1 ZINC000865563955 630191876 /nfs/dbraw/zinc/19/18/76/630191876.db2.gz FSXXMZTUPFXDSC-UHFFFAOYSA-N 0 3 297.324 3.056 20 30 CGEDHN C[C@@H]1CC[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000800809215 630300664 /nfs/dbraw/zinc/30/06/64/630300664.db2.gz FZSGFMKINNTTQO-OLZOCXBDSA-N 0 3 254.337 3.215 20 30 CGEDHN C[C@H](C#N)OCCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000801909928 630363970 /nfs/dbraw/zinc/36/39/70/630363970.db2.gz IMVOOOWHULBYEZ-LLVKDONJSA-N 0 3 286.297 3.066 20 30 CGEDHN C[C@H](C#N)OCCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000801937856 630370594 /nfs/dbraw/zinc/37/05/94/630370594.db2.gz AOXFALIYHZTJOO-GUKXCFJFSA-N 0 3 270.376 3.093 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000809656985 630776772 /nfs/dbraw/zinc/77/67/72/630776772.db2.gz QRYTVCKYMXNTNR-FZMZJTMJSA-N 0 3 267.294 3.441 20 30 CGEDHN C#C[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)C(C)C ZINC000809685368 630781087 /nfs/dbraw/zinc/78/10/87/630781087.db2.gz PPELCMCJJGVYJV-MRXNPFEDSA-N 0 3 287.794 3.273 20 30 CGEDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1C#N ZINC000810251351 630859037 /nfs/dbraw/zinc/85/90/37/630859037.db2.gz QWDSRYLNMHEVRQ-GFCCVEGCSA-N 0 3 282.343 3.123 20 30 CGEDHN C#C[C@H](C)NC/C(C)=C\c1ccccc1OC(F)F ZINC000811505120 631077393 /nfs/dbraw/zinc/07/73/93/631077393.db2.gz FJPKPLMQXDHUSA-MMRAYRKESA-N 0 3 265.303 3.303 20 30 CGEDHN C#C[C@@H](N[C@H](C)CC1(OC)CCC1)c1ccc(F)cc1 ZINC000812794730 631313566 /nfs/dbraw/zinc/31/35/66/631313566.db2.gz DCDOARIPIWGULU-CZUORRHYSA-N 0 3 275.367 3.437 20 30 CGEDHN CCN(CC#Cc1ccccc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847904 631324654 /nfs/dbraw/zinc/32/46/54/631324654.db2.gz HHFSRCXDPQUFJK-YLJYHZDGSA-N 0 3 293.410 3.482 20 30 CGEDHN N#CC(C(=O)CC1(C#N)CC1)c1ccc2ccccc2n1 ZINC000815899531 631830676 /nfs/dbraw/zinc/83/06/76/631830676.db2.gz UQEMSUOHPDNCHN-ZDUSSCGKSA-N 0 3 275.311 3.105 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866338147 633085839 /nfs/dbraw/zinc/08/58/39/633085839.db2.gz XXGPSUYXDHBUDX-JTQLQIEISA-N 0 3 280.755 3.334 20 30 CGEDHN C[C@H]1CN(CCCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880059603 635905270 /nfs/dbraw/zinc/90/52/70/635905270.db2.gz JOXMMGJTGRFJCH-RYUDHWBXSA-N 0 3 292.345 3.358 20 30 CGEDHN C#Cc1cccc(CN[C@@H]2CCc3cc(OC)ccc32)c1 ZINC000866368370 633105694 /nfs/dbraw/zinc/10/56/94/633105694.db2.gz AZDHPKLWHFVCNT-LJQANCHMSA-N 0 3 277.367 3.454 20 30 CGEDHN C#CCCNC(C)(C)c1cc(Cl)ccc1OC ZINC000823503297 633114445 /nfs/dbraw/zinc/11/44/45/633114445.db2.gz PXUJWJMXJYVOIH-UHFFFAOYSA-N 0 3 251.757 3.197 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Br)cn2)C1 ZINC000866569174 633198958 /nfs/dbraw/zinc/19/89/58/633198958.db2.gz NMHUFSGOSNGYGW-ZYHUDNBSSA-N 0 3 294.196 3.016 20 30 CGEDHN COc1ccccc1[C@@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000866595795 633206176 /nfs/dbraw/zinc/20/61/76/633206176.db2.gz NHEPNKSHXNHUPJ-MGPQQGTHSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CCCCCC[C@H](C)[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000824603384 633264388 /nfs/dbraw/zinc/26/43/88/633264388.db2.gz QSJSFCOIIKSJFV-LBPRGKRZSA-N 0 3 262.401 3.297 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824954502 633310888 /nfs/dbraw/zinc/31/08/88/633310888.db2.gz QUFRRIWZIOKOQE-KGLIPLIRSA-N 0 3 281.783 3.177 20 30 CGEDHN CN(C)c1ccc(/C=C/CN2CCC[C@H](CC#N)C2)cc1 ZINC000826861329 633438001 /nfs/dbraw/zinc/43/80/01/633438001.db2.gz DWIREGWWKQEKEB-NJELEJDNSA-N 0 3 283.419 3.391 20 30 CGEDHN C#CCCOc1ccc(CN(C)CC2=CCSC2)cc1 ZINC000827806937 633520421 /nfs/dbraw/zinc/52/04/21/633520421.db2.gz XVSMQMPYINCZFA-UHFFFAOYSA-N 0 3 287.428 3.194 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(Br)c2cccnc12 ZINC000123131506 633583533 /nfs/dbraw/zinc/58/35/33/633583533.db2.gz DKPBBKUJKWWMAH-SNVBAGLBSA-N 0 3 289.176 3.109 20 30 CGEDHN C=CCC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834902505 634278882 /nfs/dbraw/zinc/27/88/82/634278882.db2.gz BPADCQPJEYHQLF-YPMHNXCESA-N 0 3 283.799 3.332 20 30 CGEDHN C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC)cc2[O-])CC1 ZINC000873198395 634283762 /nfs/dbraw/zinc/28/37/62/634283762.db2.gz HWHJPSHECJOBAC-CTYIDZIISA-N 0 3 273.376 3.073 20 30 CGEDHN CC[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835076331 634345954 /nfs/dbraw/zinc/34/59/54/634345954.db2.gz HPPQLWUQZOBSSH-GMTAPVOTSA-N 0 3 254.289 3.050 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000876593205 634864133 /nfs/dbraw/zinc/86/41/33/634864133.db2.gz XSXWENXZCATOOP-ZIAGYGMSSA-N 0 3 284.831 3.028 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C1CCCCCCC1 ZINC000876635584 634872396 /nfs/dbraw/zinc/87/23/96/634872396.db2.gz YSKLVBSTRRBZQK-ZDUSSCGKSA-N 0 3 272.820 3.028 20 30 CGEDHN CS[C@H]1CCC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877035826 634958458 /nfs/dbraw/zinc/95/84/58/634958458.db2.gz JYJAHGWTZUPUGW-STQMWFEESA-N 0 3 295.839 3.370 20 30 CGEDHN CS[C@H](CNCc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000877305592 635021223 /nfs/dbraw/zinc/02/12/23/635021223.db2.gz XZZUKOIOCFWTNH-GFCCVEGCSA-N 0 3 297.855 3.474 20 30 CGEDHN CCC(CC)(CNC[C@H](C)C#N)CNC(=O)OC(C)(C)C ZINC000877320909 635025897 /nfs/dbraw/zinc/02/58/97/635025897.db2.gz BBTDUBLFAIQKIT-CYBMUJFWSA-N 0 3 297.443 3.067 20 30 CGEDHN C=CCN(Cc1ccnc2c(C(=O)OC)cccc12)C1CC1 ZINC000877328576 635028031 /nfs/dbraw/zinc/02/80/31/635028031.db2.gz ILBWBPAUFVMCOL-UHFFFAOYSA-N 0 3 296.370 3.172 20 30 CGEDHN Cc1cccc([O-])c1C[NH2+]CC1CCC(C#N)CC1 ZINC000877500789 635062653 /nfs/dbraw/zinc/06/26/53/635062653.db2.gz JYPSBTBUFSIEAM-UHFFFAOYSA-N 0 3 258.365 3.120 20 30 CGEDHN C#C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)C(C)(C)C ZINC000877531905 635074924 /nfs/dbraw/zinc/07/49/24/635074924.db2.gz DISKTUYTUKNIOE-KRWDZBQOSA-N 0 3 298.430 3.060 20 30 CGEDHN C#C[C@@H](NCC1CC(OCC)C1)c1ccc(Cl)cc1 ZINC000877541471 635080463 /nfs/dbraw/zinc/08/04/63/635080463.db2.gz OLDJMSJHXSNZER-VDSRIPIWSA-N 0 3 277.795 3.419 20 30 CGEDHN C=CC(C)(C)CCNCc1cc(C#N)cnc1Cl ZINC000877647487 635129831 /nfs/dbraw/zinc/12/98/31/635129831.db2.gz DDIZOVNOAAVPHL-UHFFFAOYSA-N 0 3 263.772 3.299 20 30 CGEDHN C[C@H](CC#N)NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841633093 635202702 /nfs/dbraw/zinc/20/27/02/635202702.db2.gz NBJFZEGISHKWNB-KDOFPFPSSA-N 0 3 296.418 3.234 20 30 CGEDHN C(=Nn1cnnc1-c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000842524349 635390149 /nfs/dbraw/zinc/39/01/49/635390149.db2.gz AIFZUJNXUAZKRL-YCPHGPKFSA-N 0 3 278.359 3.381 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000126961543 635416564 /nfs/dbraw/zinc/41/65/64/635416564.db2.gz NGACVJBOPZHQMI-QGZVFWFLSA-N 0 3 298.411 3.341 20 30 CGEDHN Cc1cc(CNCc2ccc(CC#N)cc2)cnc1Cl ZINC000842719842 635448824 /nfs/dbraw/zinc/44/88/24/635448824.db2.gz MUIQWWZGKVUCMV-UHFFFAOYSA-N 0 3 285.778 3.399 20 30 CGEDHN C=CC[C@@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000878451140 635514518 /nfs/dbraw/zinc/51/45/18/635514518.db2.gz HRJCPWSYRMPEKS-WBMJQRKESA-N 0 3 273.355 3.203 20 30 CGEDHN C=CC[C@@H](C)N1CCc2nccc(Br)c2C1 ZINC000878768174 635625827 /nfs/dbraw/zinc/62/58/27/635625827.db2.gz TXEOOSVSWDCXFC-SNVBAGLBSA-N 0 3 281.197 3.167 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccnn2-c2ccccc2)C1 ZINC000843424409 635668179 /nfs/dbraw/zinc/66/81/79/635668179.db2.gz ZQYBMBMIYPQIPI-INIZCTEOSA-N 0 3 279.387 3.108 20 30 CGEDHN O[C@H](c1ccccc1)[C@H]1CCCN1CC#Cc1ccccc1 ZINC000879246796 635735423 /nfs/dbraw/zinc/73/54/23/635735423.db2.gz XVBJMLHYIIRIKB-WOJBJXKFSA-N 0 3 291.394 3.236 20 30 CGEDHN CN(CC[C@@H]1CCCC1(F)F)[C@H]1CCC[C@H]1C#N ZINC000879309499 635752295 /nfs/dbraw/zinc/75/22/95/635752295.db2.gz NUSWLOSIBOWSID-AVGNSLFASA-N 0 3 256.340 3.436 20 30 CGEDHN C[C@]1(C(F)(F)F)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000880000400 635895455 /nfs/dbraw/zinc/89/54/55/635895455.db2.gz HKGHVUNHHHMFNU-AWEZNQCLSA-N 0 3 298.308 3.363 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844437994 635901250 /nfs/dbraw/zinc/90/12/50/635901250.db2.gz AAOHHEFTQJHASX-OAHLLOKOSA-N 0 3 292.329 3.188 20 30 CGEDHN C#C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000848493366 636580640 /nfs/dbraw/zinc/58/06/40/636580640.db2.gz NJXWGLMYEALJAI-AWEZNQCLSA-N 0 3 265.356 3.391 20 30 CGEDHN C#C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000848493366 636580644 /nfs/dbraw/zinc/58/06/44/636580644.db2.gz NJXWGLMYEALJAI-AWEZNQCLSA-N 0 3 265.356 3.391 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)NCc1nonc1C ZINC000883244501 636612064 /nfs/dbraw/zinc/61/20/64/636612064.db2.gz OQIVZCLBSZELIU-OAHLLOKOSA-N 0 3 271.364 3.045 20 30 CGEDHN C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000848923722 636695705 /nfs/dbraw/zinc/69/57/05/636695705.db2.gz IXPQMTBLEDJWMX-GFCCVEGCSA-N 0 3 263.768 3.199 20 30 CGEDHN C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000848923722 636695706 /nfs/dbraw/zinc/69/57/06/636695706.db2.gz IXPQMTBLEDJWMX-GFCCVEGCSA-N 0 3 263.768 3.199 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(F)cc1Cl ZINC000883388882 636731302 /nfs/dbraw/zinc/73/13/02/636731302.db2.gz FPOMIPYNMCXWGO-CMPLNLGQSA-N 0 3 271.763 3.457 20 30 CGEDHN N#CC(C(=O)C1CCC(C2CC2)CC1)c1ccccn1 ZINC000850756139 637145966 /nfs/dbraw/zinc/14/59/66/637145966.db2.gz MWWXUIDCCFVFTR-YMAMQOFZSA-N 0 3 268.360 3.474 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)[C@@H]1CCCO1 ZINC000850783091 637152011 /nfs/dbraw/zinc/15/20/11/637152011.db2.gz WABWWLQECVEJNX-JMSVASOKSA-N 0 3 298.342 3.209 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCC2(CCC2)CO1 ZINC000885937695 637320656 /nfs/dbraw/zinc/32/06/56/637320656.db2.gz HRIYTHKXMYXLSM-QGZVFWFLSA-N 0 3 284.403 3.339 20 30 CGEDHN C[C@H](c1ccco1)N(C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886077380 637401857 /nfs/dbraw/zinc/40/18/57/637401857.db2.gz YTGMAZPWHNEUTB-UKRRQHHQSA-N 0 3 288.391 3.250 20 30 CGEDHN C#CCN(CCO[C@H]1CC1(F)F)[C@@H]1CCc2ccccc21 ZINC000851735649 637483804 /nfs/dbraw/zinc/48/38/04/637483804.db2.gz HNJWMTANDPWICT-CVEARBPZSA-N 0 3 291.341 3.033 20 30 CGEDHN C#CC[C@H]1CCN(CC(=O)Nc2cccc3ccccc32)C1 ZINC000886359769 637512230 /nfs/dbraw/zinc/51/22/30/637512230.db2.gz JQRJYFWJBPCYSF-HNNXBMFYSA-N 0 3 292.382 3.124 20 30 CGEDHN C#CCOCCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000851826052 637514946 /nfs/dbraw/zinc/51/49/46/637514946.db2.gz APSXQSSLWZISIA-UHFFFAOYSA-N 0 3 284.186 3.222 20 30 CGEDHN Cc1nc(C2CCN(Cc3cccc(C#N)c3)CC2)[nH]c1C ZINC000886660943 637638481 /nfs/dbraw/zinc/63/84/81/637638481.db2.gz IULRCNAHVZTOAH-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN Cc1cc(CN2CCC[C@@H](c3ncccn3)C2)ccc1C#N ZINC000886686594 637651703 /nfs/dbraw/zinc/65/17/03/637651703.db2.gz UJWTVWAIBQUDDC-QGZVFWFLSA-N 0 3 292.386 3.036 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ncccn2)C1 ZINC000886686787 637652141 /nfs/dbraw/zinc/65/21/41/637652141.db2.gz XPNVOTQNEOKBOT-RHSMWYFYSA-N 0 3 292.386 3.289 20 30 CGEDHN Clc1ccccc1[C@H]1CCCCC1=Nn1cnnc1 ZINC000853253759 637794834 /nfs/dbraw/zinc/79/48/34/637794834.db2.gz CKOOGNCVLNGIRN-GFCCVEGCSA-N 0 3 274.755 3.493 20 30 CGEDHN CCCCCCCN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856789697 638390257 /nfs/dbraw/zinc/39/02/57/638390257.db2.gz OIOUTEGMYBSUDM-INIZCTEOSA-N 0 3 295.448 3.216 20 30 CGEDHN CCCCCCCN[C@@H](C)c1cn(C(C)C)nn1 ZINC000925701769 638572448 /nfs/dbraw/zinc/57/24/48/638572448.db2.gz FKPJEWIZRPPDPD-ZDUSSCGKSA-N 0 3 252.406 3.480 20 30 CGEDHN C=CCC[C@@H](CCC)N1CCc2sc(CN)nc2C1 ZINC000925750556 638596687 /nfs/dbraw/zinc/59/66/87/638596687.db2.gz JFWZPHCQWQWGRV-GFCCVEGCSA-N 0 3 279.453 3.095 20 30 CGEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)C1(Cl)CC1 ZINC000925927034 638655794 /nfs/dbraw/zinc/65/57/94/638655794.db2.gz XCLMJBWCOYMLTQ-NSHDSACASA-N 0 3 260.768 3.297 20 30 CGEDHN C#CCCOc1ccc(CNCc2cccnc2C)cc1 ZINC000858273260 638671060 /nfs/dbraw/zinc/67/10/60/638671060.db2.gz MDTVXHFTOXEFNS-UHFFFAOYSA-N 0 3 280.371 3.082 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCC2(CCC2)O1 ZINC000929162250 638904116 /nfs/dbraw/zinc/90/41/16/638904116.db2.gz JPWSVUAYGNWFFT-KRWDZBQOSA-N 0 3 284.403 3.482 20 30 CGEDHN CCCN(C[C@H](O)CC#N)[C@H](C)c1cc2ccccc2o1 ZINC000929332752 638919483 /nfs/dbraw/zinc/91/94/83/638919483.db2.gz JSXSAIBWTQJOPH-UKRRQHHQSA-N 0 3 286.375 3.480 20 30 CGEDHN CCC[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1[O-] ZINC000929753152 638946926 /nfs/dbraw/zinc/94/69/26/638946926.db2.gz MPJCKDWWGGCKDH-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CCC[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1[O-] ZINC000929753152 638946928 /nfs/dbraw/zinc/94/69/28/638946928.db2.gz MPJCKDWWGGCKDH-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CCCN(Cc1cncc(C#N)c1)Cc1ccccc1O ZINC000929753152 638946930 /nfs/dbraw/zinc/94/69/30/638946930.db2.gz MPJCKDWWGGCKDH-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CC(C)Sc1ccc([C@H](C)NC[C@H](O)CC#N)cc1 ZINC000930216004 638983394 /nfs/dbraw/zinc/98/33/94/638983394.db2.gz UYLDMFOWHKBFMU-GXTWGEPZSA-N 0 3 278.421 3.112 20 30 CGEDHN CC(C)Cc1ccc([C@@H](NC[C@H](O)CC#N)C2CC2)cc1 ZINC000930236674 638985137 /nfs/dbraw/zinc/98/51/37/638985137.db2.gz OFQKRNXXRNVHPV-QZTJIDSGSA-N 0 3 286.419 3.200 20 30 CGEDHN Cc1cccc(C2(NCc3cncc(C#N)c3)CCC2)c1 ZINC000930819148 639072467 /nfs/dbraw/zinc/07/24/67/639072467.db2.gz SCKFAMLPFZFWLA-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN C=CCN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@@H](C)COC ZINC000930932426 639088567 /nfs/dbraw/zinc/08/85/67/639088567.db2.gz KSGVHCJNXJUFSS-AVGNSLFASA-N 0 3 295.345 3.009 20 30 CGEDHN Cc1ccc(CN[C@H](CCO)c2cccs2)cc1C#N ZINC000859248005 639118987 /nfs/dbraw/zinc/11/89/87/639118987.db2.gz HSQXUPUKTKMJKJ-OAHLLOKOSA-N 0 3 286.400 3.142 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](C)C1(F)F ZINC000859412569 639138392 /nfs/dbraw/zinc/13/83/92/639138392.db2.gz UHFDAGKAFJNVHR-BETUJISGSA-N 0 3 294.345 3.312 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ncco2)CC1 ZINC000931449143 639150307 /nfs/dbraw/zinc/15/03/07/639150307.db2.gz PPCNPZNDSARBSN-ZDUSSCGKSA-N 0 3 281.359 3.487 20 30 CGEDHN C[C@@H]1CC(F)(F)CCN1CCCOc1ccc(C#N)cc1 ZINC000859835318 639235688 /nfs/dbraw/zinc/23/56/88/639235688.db2.gz RSUBYVBXOFXMKP-CYBMUJFWSA-N 0 3 294.345 3.447 20 30 CGEDHN CC(C)(C#N)CCCCN[C@H](c1ncccn1)C1CC1 ZINC000932355186 639321602 /nfs/dbraw/zinc/32/16/02/639321602.db2.gz RADXYBQRRWUFEO-AWEZNQCLSA-N 0 3 272.396 3.237 20 30 CGEDHN C=CCOCCN1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932620274 639367251 /nfs/dbraw/zinc/36/72/51/639367251.db2.gz CFAVPLJRFQQNJE-UHFFFAOYSA-N 0 3 292.448 3.014 20 30 CGEDHN C=CCN1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000932625113 639368262 /nfs/dbraw/zinc/36/82/62/639368262.db2.gz XILOHOQCJCQKDU-UHFFFAOYSA-N 0 3 262.422 3.072 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(O)(C2CCC2)CC1 ZINC000932820938 639382930 /nfs/dbraw/zinc/38/29/30/639382930.db2.gz VBRVDOKWRQFJBB-AWEZNQCLSA-N 0 3 284.403 3.246 20 30 CGEDHN C#CCC1(NCC(=O)Nc2cccc(Cl)c2C)CCC1 ZINC000933302930 639436940 /nfs/dbraw/zinc/43/69/40/639436940.db2.gz KOGDSRQFYKVFMU-UHFFFAOYSA-N 0 3 290.794 3.123 20 30 CGEDHN N#Cc1cc(CN2CCCSC[C@H]2C2CC2)ccc1F ZINC000933915009 639506394 /nfs/dbraw/zinc/50/63/94/639506394.db2.gz FQHMOVHYVOMOOU-INIZCTEOSA-N 0 3 290.407 3.415 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCOc2ccccc21)c1ccccn1 ZINC000118142181 639552849 /nfs/dbraw/zinc/55/28/49/639552849.db2.gz VKCDVTKYEUWPSM-ZFWWWQNUSA-N 0 3 292.338 3.214 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001006435724 640211675 /nfs/dbraw/zinc/21/16/75/640211675.db2.gz QTQWUQGGJXGLQU-GOSISDBHSA-N 0 3 290.451 3.232 20 30 CGEDHN CCCCCCC[C@H](C)NCc1cc(C(N)=O)co1 ZINC000190010099 640218380 /nfs/dbraw/zinc/21/83/80/640218380.db2.gz YFIJEGXJEHBOKP-LBPRGKRZSA-N 0 3 266.385 3.217 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001006450556 640262104 /nfs/dbraw/zinc/26/21/04/640262104.db2.gz FQCGOMCKDYWIMM-HUUCEWRRSA-N 0 3 292.467 3.168 20 30 CGEDHN C[C@@H]1CC[C@@H](CCC(=O)C(C#N)c2nc3ccccc3o2)O1 ZINC000246506165 640678114 /nfs/dbraw/zinc/67/81/14/640678114.db2.gz GDZNIPRALUDZPS-AGIUHOORSA-N 0 3 298.342 3.352 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007831549 640945857 /nfs/dbraw/zinc/94/58/57/640945857.db2.gz HULRZHYHBFPMAO-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015139447 640977557 /nfs/dbraw/zinc/97/75/57/640977557.db2.gz HNHZUEOYBKNBDG-ZDUSSCGKSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001020284859 641043614 /nfs/dbraw/zinc/04/36/14/641043614.db2.gz GPBQQVDGBWBSIH-RBSFLKMASA-N 0 3 296.842 3.112 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)CC1CCCC1 ZINC001155607107 805597000 /nfs/dbraw/zinc/59/70/00/805597000.db2.gz ICEASWUHAHOCJB-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)CCCCCC ZINC001155924893 805627078 /nfs/dbraw/zinc/62/70/78/805627078.db2.gz WZFCQEWUCQRRBO-HZPDHXFCSA-N 0 3 280.456 3.053 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCC1CCCCC1 ZINC001156741364 805729442 /nfs/dbraw/zinc/72/94/42/805729442.db2.gz POFZXNZWOZMGIG-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccsc1C ZINC001157930369 805905342 /nfs/dbraw/zinc/90/53/42/805905342.db2.gz FIDAVCYBLPFVHG-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCC12CC2 ZINC001158123810 805922745 /nfs/dbraw/zinc/92/27/45/805922745.db2.gz CQEKTSGTQPTUOH-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN Cc1nc(N(C2CCCC2)C2CCN(C)CC2)ccc1C#N ZINC001158487549 805959194 /nfs/dbraw/zinc/95/91/94/805959194.db2.gz GXEJAHCTOOZFCT-UHFFFAOYSA-N 0 3 298.434 3.105 20 30 CGEDHN CCCCCCCC[C@H](O)CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001252125811 806012563 /nfs/dbraw/zinc/01/25/63/806012563.db2.gz HDQIWUAVJXXLCV-YHUYYLMFSA-N 0 3 271.420 3.388 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCSCC1 ZINC001252126524 806013996 /nfs/dbraw/zinc/01/39/96/806013996.db2.gz QBVBMBNAABWXIB-CQSZACIVSA-N 0 3 259.459 3.147 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1ccncc1F ZINC001252136667 806024121 /nfs/dbraw/zinc/02/41/21/806024121.db2.gz SUYNQCOGWVEPPI-HNNXBMFYSA-N 0 3 282.403 3.422 20 30 CGEDHN C=C[C@@](C)(O)CN(Cc1ccccc1)Cc1ccccn1 ZINC001252549033 806062552 /nfs/dbraw/zinc/06/25/52/806062552.db2.gz ZOSIQEXDJRUZPW-GOSISDBHSA-N 0 3 282.387 3.021 20 30 CGEDHN C=C[C@@](C)(O)CNCc1c(C)cc(Cl)cc1Cl ZINC001252574341 806072257 /nfs/dbraw/zinc/07/22/57/806072257.db2.gz NUKJVRVZWHRGLE-CYBMUJFWSA-N 0 3 274.191 3.328 20 30 CGEDHN C=CCC[C@@H](O)CNCc1ccc(Cl)cc1Cl ZINC001252613782 806089218 /nfs/dbraw/zinc/08/92/18/806089218.db2.gz AQRFZBYBBFSJOM-GFCCVEGCSA-N 0 3 274.191 3.410 20 30 CGEDHN N#Cc1ccc(-c2csc(NC3=CNCCC3)n2)s1 ZINC001159400717 806095106 /nfs/dbraw/zinc/09/51/06/806095106.db2.gz WEMZPLCXDIBEOV-UHFFFAOYSA-N 0 3 288.401 3.380 20 30 CGEDHN C=C(CN1CCCCC1)c1nnc(-c2ccccc2)o1 ZINC001253102067 806166743 /nfs/dbraw/zinc/16/67/43/806166743.db2.gz ABSPEGQJZUKLNG-UHFFFAOYSA-N 0 3 269.348 3.236 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N1CCC(CCC)CC1 ZINC001160453575 806273746 /nfs/dbraw/zinc/27/37/46/806273746.db2.gz AXCRNQHDIFLELZ-INIZCTEOSA-N 0 3 280.456 3.489 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cc(F)cc(Cl)c2)C1 ZINC001254634773 806466019 /nfs/dbraw/zinc/46/60/19/806466019.db2.gz LBWPXVDCYARNML-NOZJJQNGSA-N 0 3 252.720 3.261 20 30 CGEDHN C#CCN([C@@H]1CCc2ccccc21)[C@H]1CC[C@H](C#N)C1 ZINC001254668785 806479709 /nfs/dbraw/zinc/47/97/09/806479709.db2.gz LCONOOSMDLPPIT-QILLFSRXSA-N 0 3 264.372 3.301 20 30 CGEDHN N#Cc1ccccc1O[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC001254671431 806481058 /nfs/dbraw/zinc/48/10/58/806481058.db2.gz REKPYOGBOHBWOE-BHYGNILZSA-N 0 3 295.386 3.094 20 30 CGEDHN CC[C@@H](CC#N)NCCc1ccc(OC(C)C)cc1 ZINC001255156214 806556519 /nfs/dbraw/zinc/55/65/19/806556519.db2.gz YIYOSJCERGRCQL-HNNXBMFYSA-N 0 3 260.381 3.298 20 30 CGEDHN CC[C@@H](CC#N)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC001255162483 806562005 /nfs/dbraw/zinc/56/20/05/806562005.db2.gz RCDWNXKUZKETBW-INIZCTEOSA-N 0 3 290.382 3.199 20 30 CGEDHN C[C@@H](N)c1nc2ccccc2n1-c1cccc(CC#N)c1F ZINC001162766460 806661196 /nfs/dbraw/zinc/66/11/96/806661196.db2.gz OJQLIVDFTRZALT-LLVKDONJSA-N 0 3 294.333 3.250 20 30 CGEDHN C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1[O-] ZINC000037748618 798872908 /nfs/dbraw/zinc/87/29/08/798872908.db2.gz WAXAORPFMAFGHG-GFCCVEGCSA-N 0 3 252.317 3.115 20 30 CGEDHN C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000037748260 798873075 /nfs/dbraw/zinc/87/30/75/798873075.db2.gz OAGFMYPMHZWOKN-GFCCVEGCSA-N 0 3 252.317 3.115 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506041 798965746 /nfs/dbraw/zinc/96/57/46/798965746.db2.gz AROGZUVBXUPPDN-AEFFLSMTSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000176531935 799099429 /nfs/dbraw/zinc/09/94/29/799099429.db2.gz NQALZNZHJPBJIJ-HNNXBMFYSA-N 0 3 284.359 3.253 20 30 CGEDHN N#Cc1cc(F)cc(CN2CCC3(CCC3)CC2)c1 ZINC000308743599 799217277 /nfs/dbraw/zinc/21/72/77/799217277.db2.gz PJKBAUDVMGWUDS-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN C[C@H]1CC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000338951002 799278305 /nfs/dbraw/zinc/27/83/05/799278305.db2.gz BVXWVCXCTRGGDI-DZGCQCFKSA-N 0 3 287.382 3.008 20 30 CGEDHN C=CCOCCCNCc1cscc1Br ZINC000691795166 799786684 /nfs/dbraw/zinc/78/66/84/799786684.db2.gz BLEDNPZMIAWEHG-UHFFFAOYSA-N 0 3 290.226 3.193 20 30 CGEDHN COc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000701829892 799895111 /nfs/dbraw/zinc/89/51/11/799895111.db2.gz LETXCFVGNYPTJM-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@]12C[C@H]1CCCC2 ZINC000708868280 799999372 /nfs/dbraw/zinc/99/93/72/799999372.db2.gz QRACTOYJSWZHMV-WDMOLILDSA-N 0 3 261.394 3.073 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)CCC)CC1 ZINC001163841709 806836405 /nfs/dbraw/zinc/83/64/05/806836405.db2.gz QLLAXGUUCUYHFO-GFCCVEGCSA-N 0 3 286.847 3.051 20 30 CGEDHN C=CCN1CCC[C@H](CNC(=O)c2sccc2Cl)C1 ZINC001023385247 800709591 /nfs/dbraw/zinc/70/95/91/800709591.db2.gz UFUVONQCLVASGI-LLVKDONJSA-N 0 3 298.839 3.029 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001024326348 800724417 /nfs/dbraw/zinc/72/44/17/800724417.db2.gz KGMHYXSDGLVDFU-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024596513 800730353 /nfs/dbraw/zinc/73/03/53/800730353.db2.gz IDHVNKVJAFIQBJ-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=Cc1ccc(C(=O)NC[C@H]2CCCCN2CC(=C)C)cc1 ZINC001024669046 800733873 /nfs/dbraw/zinc/73/38/73/800733873.db2.gz BANOLFKNYLOPOT-GOSISDBHSA-N 0 3 298.430 3.490 20 30 CGEDHN N#CCC1CN(C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001256308208 806858489 /nfs/dbraw/zinc/85/84/89/806858489.db2.gz LGEDLOOGEZGVET-UHFFFAOYSA-N 0 3 289.810 3.154 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281656 800840708 /nfs/dbraw/zinc/84/07/08/800840708.db2.gz NVXSZXLARAMECL-HNNXBMFYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC)c1ccccc1 ZINC001029593685 800871247 /nfs/dbraw/zinc/87/12/47/800871247.db2.gz FSSXXTZERJBLFC-KSZLIROESA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)cc1C ZINC001032770610 800937262 /nfs/dbraw/zinc/93/72/62/800937262.db2.gz GQQRGVLMWXYLDY-IRXDYDNUSA-N 0 3 298.430 3.087 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033269623 800957165 /nfs/dbraw/zinc/95/71/65/800957165.db2.gz KJZCTSUCFQMNRT-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033633799 800970758 /nfs/dbraw/zinc/97/07/58/800970758.db2.gz XJFHHYCDLLGSMU-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033693086 800975654 /nfs/dbraw/zinc/97/56/54/800975654.db2.gz OPPXOWATPKKMSO-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033786797 800981648 /nfs/dbraw/zinc/98/16/48/800981648.db2.gz YZKGTKPDCZZVDA-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033785991 800982152 /nfs/dbraw/zinc/98/21/52/800982152.db2.gz PCDIPKHQUGXPQK-CQSZACIVSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961415 800991429 /nfs/dbraw/zinc/99/14/29/800991429.db2.gz SLPJVAIGLKXSTN-BRWVUGGUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001034185624 801009230 /nfs/dbraw/zinc/00/92/30/801009230.db2.gz TXMBGCFPWUBJRX-AWEZNQCLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332765 801017416 /nfs/dbraw/zinc/01/74/16/801017416.db2.gz LTNXUBRKDUMNBV-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034354565 801020243 /nfs/dbraw/zinc/02/02/43/801020243.db2.gz MUCWIRQZFUTBNU-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CCCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001034549504 801033515 /nfs/dbraw/zinc/03/35/15/801033515.db2.gz ADIDEEHNIAESSX-LBPRGKRZSA-N 0 3 296.411 3.048 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001038644049 801130750 /nfs/dbraw/zinc/13/07/50/801130750.db2.gz OWAKZZQVXJRUAT-QGZVFWFLSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001038965833 801137582 /nfs/dbraw/zinc/13/75/82/801137582.db2.gz ORUJSSQMHDIONS-KRWDZBQOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001039077271 801146188 /nfs/dbraw/zinc/14/61/88/801146188.db2.gz QMYCJYKQWUGQJU-AWEZNQCLSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001039331446 801159362 /nfs/dbraw/zinc/15/93/62/801159362.db2.gz MUEYVTMOADCORP-CABCVRRESA-N 0 3 278.440 3.064 20 30 CGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC)C1 ZINC001039906188 801168340 /nfs/dbraw/zinc/16/83/40/801168340.db2.gz ILPQEWRAYAXMQL-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(CC)CCCC3)C[C@@H]21 ZINC001042292795 801204534 /nfs/dbraw/zinc/20/45/34/801204534.db2.gz XLMSIHFUCQZOPG-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)sc2C)C1 ZINC001046465069 801311495 /nfs/dbraw/zinc/31/14/95/801311495.db2.gz WGVSUVDZOHBFTI-INIZCTEOSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046748903 801321897 /nfs/dbraw/zinc/32/18/97/801321897.db2.gz BBAKWCPGFSGHKX-GOSISDBHSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001046861726 801330295 /nfs/dbraw/zinc/33/02/95/801330295.db2.gz WXNJEBRCNJRMOM-QAPCUYQASA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001046861725 801330758 /nfs/dbraw/zinc/33/07/58/801330758.db2.gz WXNJEBRCNJRMOM-MAUKXSAKSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049500175 801375872 /nfs/dbraw/zinc/37/58/72/801375872.db2.gz CXTMEJNCMRIXCM-KGLIPLIRSA-N 0 3 296.842 3.016 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457997 801535785 /nfs/dbraw/zinc/53/57/85/801535785.db2.gz OVHVMYALXWPLOM-WBVHZDCISA-N 0 3 290.451 3.422 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(CC(=C)C)C2)cc1 ZINC001071828299 801554724 /nfs/dbraw/zinc/55/47/24/801554724.db2.gz MNUJPPPPGUBROF-CRAIPNDOSA-N 0 3 298.430 3.488 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773369 801703644 /nfs/dbraw/zinc/70/36/44/801703644.db2.gz ATIKUYDJTSUZTG-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cscc2Cl)[C@H]1CC ZINC001087613985 801760184 /nfs/dbraw/zinc/76/01/84/801760184.db2.gz UTBLTJUECSMVTQ-QWHCGFSZSA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2occc2Cl)[C@H]1CC ZINC001087713712 801764462 /nfs/dbraw/zinc/76/44/62/801764462.db2.gz DPUHRTNOSFCOST-QWHCGFSZSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)C2CC2)C1 ZINC001088288860 801781466 /nfs/dbraw/zinc/78/14/66/801781466.db2.gz DJPLUICWAGGVLE-HIFRSBDPSA-N 0 3 298.858 3.146 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2Cl)[C@H]1C ZINC001088585064 801802924 /nfs/dbraw/zinc/80/29/24/801802924.db2.gz BNUCTBIHRGTDSO-PWSUYJOCSA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC001088825540 801809250 /nfs/dbraw/zinc/80/92/50/801809250.db2.gz MTLLGYYPSVDSGV-PBHICJAKSA-N 0 3 286.419 3.018 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1 ZINC001089600529 801844747 /nfs/dbraw/zinc/84/47/47/801844747.db2.gz GBZDKQCVOLVTKJ-MRXNPFEDSA-N 0 3 286.419 3.093 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CCCCCC1)C2 ZINC001095353381 801882728 /nfs/dbraw/zinc/88/27/28/801882728.db2.gz RTIZUBVBSDNNBF-IKGGRYGDSA-N 0 3 288.435 3.175 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109634303 802120245 /nfs/dbraw/zinc/12/02/45/802120245.db2.gz JORPOWSKJCBCRP-YVSFHVDLSA-N 0 3 290.451 3.276 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001109769570 802125520 /nfs/dbraw/zinc/12/55/20/802125520.db2.gz JXKLNJHOJYQMKB-XGUBFFRZSA-N 0 3 296.430 3.058 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110897747 802148132 /nfs/dbraw/zinc/14/81/32/802148132.db2.gz VBILVGATQVJRSE-ZACQAIPSSA-N 0 3 298.430 3.120 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110985381 802153069 /nfs/dbraw/zinc/15/30/69/802153069.db2.gz XEOVYZOSTZCVRV-XLMAVXFVSA-N 0 3 290.451 3.276 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H](C)CCC)CC1 ZINC001112686082 802184464 /nfs/dbraw/zinc/18/44/64/802184464.db2.gz OQWWLLXPYNWSQF-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113246643 802208148 /nfs/dbraw/zinc/20/81/48/802208148.db2.gz QFDNGWUBFHQMHJ-IAGOWNOFSA-N 0 3 294.483 3.415 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)CC(C)C)CCCCC1 ZINC001115385885 802257951 /nfs/dbraw/zinc/25/79/51/802257951.db2.gz JUYWDVSNOWSZOS-UHFFFAOYSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc(SC)cc2)C1 ZINC001116552490 802377882 /nfs/dbraw/zinc/37/78/82/802377882.db2.gz LMCMNRDFOHJONO-AWEZNQCLSA-N 0 3 263.406 3.185 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CCc2cc(Br)ccc21 ZINC001116643265 802390886 /nfs/dbraw/zinc/39/08/86/802390886.db2.gz NDBIRPKPPPGCTF-GXTWGEPZSA-N 0 3 296.208 3.227 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120393489 802743751 /nfs/dbraw/zinc/74/37/51/802743751.db2.gz VPYKSDCSOKLDFM-HOTGVXAUSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C(C)=C\CC)C2 ZINC001120747178 802771903 /nfs/dbraw/zinc/77/19/03/802771903.db2.gz OAIMLIGDEJJFBG-WZUFQYTHSA-N 0 3 296.842 3.112 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)CCC)C2 ZINC001120858914 802787874 /nfs/dbraw/zinc/78/78/74/802787874.db2.gz LFQHDKFPTUXSRQ-NYKNNPSKSA-N 0 3 298.858 3.192 20 30 CGEDHN N#Cc1cc(-c2cc(N3CCCCC3)ccn2)ccc1N ZINC001244112859 803192148 /nfs/dbraw/zinc/19/21/48/803192148.db2.gz TVMALUDOXJCOCX-UHFFFAOYSA-N 0 3 278.359 3.193 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCC(C)(C)C)CC[C@@H]1C ZINC001132370825 803397770 /nfs/dbraw/zinc/39/77/70/803397770.db2.gz BXABPZMLYVWTSM-GJZGRUSLSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(CC)CC)CC[C@@H]1C ZINC001132392569 803398741 /nfs/dbraw/zinc/39/87/41/803398741.db2.gz MNQFYFMFOGAIEK-GOEBONIOSA-N 0 3 280.456 3.358 20 30 CGEDHN CN(C)Cc1ccnc(-c2cccc(Cl)c2C#N)c1 ZINC001244725771 803514407 /nfs/dbraw/zinc/51/44/07/803514407.db2.gz OTZFXMZMKGNJFG-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN Cc1cc(CC#N)ccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245423331 803733195 /nfs/dbraw/zinc/73/31/95/803733195.db2.gz BKPRMMPLJIUDRA-SFHVURJKSA-N 0 3 296.414 3.329 20 30 CGEDHN Cc1cc(C2=CC[C@H](N3CCOCC3)CC2)cc(C)c1C#N ZINC001245426365 803733651 /nfs/dbraw/zinc/73/36/51/803733651.db2.gz SWHNGIRRZATHSK-SFHVURJKSA-N 0 3 296.414 3.443 20 30 CGEDHN COc1ccc(CN2CC3CCC(CC3)C2)c(C#N)c1 ZINC001137706179 803763190 /nfs/dbraw/zinc/76/31/90/803763190.db2.gz QOQYUKGIXCRMFM-UHFFFAOYSA-N 0 3 270.376 3.189 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC001138414217 803923956 /nfs/dbraw/zinc/92/39/56/803923956.db2.gz RVXUHXKYULFMOZ-CYBMUJFWSA-N 0 3 270.351 3.461 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1[O-] ZINC001138625793 803983119 /nfs/dbraw/zinc/98/31/19/803983119.db2.gz SXRKTUBSOXTUBE-IUODEOHRSA-N 0 3 263.356 3.301 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1[O-] ZINC001138625793 803983126 /nfs/dbraw/zinc/98/31/26/803983126.db2.gz SXRKTUBSOXTUBE-IUODEOHRSA-N 0 3 263.356 3.301 20 30 CGEDHN C=CCc1cccc(CN2CC[C@@H](C)[C@H](F)C2)c1O ZINC001138625793 803983133 /nfs/dbraw/zinc/98/31/33/803983133.db2.gz SXRKTUBSOXTUBE-IUODEOHRSA-N 0 3 263.356 3.301 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](CF)C2)c1[O-] ZINC001138627749 803985046 /nfs/dbraw/zinc/98/50/46/803985046.db2.gz FHPSYUHWCJRFQK-ZDUSSCGKSA-N 0 3 263.356 3.302 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](CF)C2)c1[O-] ZINC001138627749 803985050 /nfs/dbraw/zinc/98/50/50/803985050.db2.gz FHPSYUHWCJRFQK-ZDUSSCGKSA-N 0 3 263.356 3.302 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)C2CCN(CC)CC2)c1[O-] ZINC001138628778 803985538 /nfs/dbraw/zinc/98/55/38/803985538.db2.gz DSPOWHZIPIEFDT-UHFFFAOYSA-N 0 3 288.435 3.037 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)C2CCN(CC)CC2)c1[O-] ZINC001138628778 803985543 /nfs/dbraw/zinc/98/55/43/803985543.db2.gz DSPOWHZIPIEFDT-UHFFFAOYSA-N 0 3 288.435 3.037 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1[O-] ZINC001138627797 803986646 /nfs/dbraw/zinc/98/66/46/803986646.db2.gz FUPMTUSJACEFEQ-UHFFFAOYSA-N 0 3 270.376 3.246 20 30 CGEDHN C=CCN(Cc1cnc(SCC)nc1)C(C)(C)C ZINC001138658460 803995247 /nfs/dbraw/zinc/99/52/47/803995247.db2.gz REQQZJNDWOHMJH-UHFFFAOYSA-N 0 3 265.426 3.375 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@@](C)(O)[C@@H](C)C1 ZINC001138662399 803997259 /nfs/dbraw/zinc/99/72/59/803997259.db2.gz WYTUGHJGKSDXHG-MAUKXSAKSA-N 0 3 289.419 3.234 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@H]3CCC[C@H]3C2)c1 ZINC001139646287 804241332 /nfs/dbraw/zinc/24/13/32/804241332.db2.gz NPWADCICENCQTQ-KGLIPLIRSA-N 0 3 258.340 3.319 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2Cc2ccccn2)c1 ZINC001139651558 804242904 /nfs/dbraw/zinc/24/29/04/804242904.db2.gz PNZBKOPUIBOZKS-QGZVFWFLSA-N 0 3 295.361 3.299 20 30 CGEDHN Cc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1C#N ZINC001139726174 804266937 /nfs/dbraw/zinc/26/69/37/804266937.db2.gz XEIRUGBKLAWLOJ-UHFFFAOYSA-N 0 3 266.344 3.204 20 30 CGEDHN Cc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1C#N ZINC001139726174 804266941 /nfs/dbraw/zinc/26/69/41/804266941.db2.gz XEIRUGBKLAWLOJ-UHFFFAOYSA-N 0 3 266.344 3.204 20 30 CGEDHN C=CCn1cc(CN2CCC[C@@H]3CCCC[C@H]32)cn1 ZINC001139772580 804277310 /nfs/dbraw/zinc/27/73/10/804277310.db2.gz LIOJHPFLCVKXII-JKSUJKDBSA-N 0 3 259.397 3.224 20 30 CGEDHN C=CCn1cc(CN2CCC(c3ccc(O)cc3)CC2)cn1 ZINC001139770949 804277583 /nfs/dbraw/zinc/27/75/83/804277583.db2.gz IOHSWJQFZFMYJY-UHFFFAOYSA-N 0 3 297.402 3.154 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CCC)C(C)C ZINC001139869574 804304420 /nfs/dbraw/zinc/30/44/20/804304420.db2.gz LVQOAKDUJYBBRD-HNNXBMFYSA-N 0 3 268.445 3.025 20 30 CGEDHN N#Cc1cc(F)cc(CN2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001139877352 804309277 /nfs/dbraw/zinc/30/92/77/804309277.db2.gz HCCKVLXITKJRBE-GJZGRUSLSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCCCCCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC001140296142 804408549 /nfs/dbraw/zinc/40/85/49/804408549.db2.gz WLARLIXMFPOINQ-INIZCTEOSA-N 0 3 278.440 3.256 20 30 CGEDHN CN(Cc1ccc(C#N)nc1)[C@@H]1CCc2ccccc21 ZINC001140547679 804458369 /nfs/dbraw/zinc/45/83/69/804458369.db2.gz ZPPVTHPSEFWYBT-QGZVFWFLSA-N 0 3 263.344 3.073 20 30 CGEDHN N#CC1CCC(NCc2cccnc2Br)CC1 ZINC001256959871 807016657 /nfs/dbraw/zinc/01/66/57/807016657.db2.gz UQTZKQZGSSZHIM-UHFFFAOYSA-N 0 3 294.196 3.016 20 30 CGEDHN CCCCCCCCNC(=S)N1CCN2CCC1CC2 ZINC001247153911 804670361 /nfs/dbraw/zinc/67/03/61/804670361.db2.gz GXALXPFBUQXHGH-UHFFFAOYSA-N 0 3 297.512 3.001 20 30 CGEDHN CN(CCc1ccccc1Cl)Cc1ccc(C#N)cn1 ZINC001144163114 804947023 /nfs/dbraw/zinc/94/70/23/804947023.db2.gz NOHARUSHHWBRDF-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248816937 805004698 /nfs/dbraw/zinc/00/46/98/805004698.db2.gz BUICBJBASRNYRC-GFCCVEGCSA-N 0 3 271.339 3.433 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001144567285 805006449 /nfs/dbraw/zinc/00/64/49/805006449.db2.gz HESJQRSMOOXGIU-AWEZNQCLSA-N 0 3 267.294 3.237 20 30 CGEDHN CC[C@H](C)c1nn(C)cc1CN1CCC(CC#N)CC1 ZINC001249408070 805140533 /nfs/dbraw/zinc/14/05/33/805140533.db2.gz WLVZIVIGWJUSLT-ZDUSSCGKSA-N 0 3 274.412 3.059 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)CC(C)(C)C)C2)C1 ZINC001148342945 805175550 /nfs/dbraw/zinc/17/55/50/805175550.db2.gz NGFUBOBXPDMQDI-HNNXBMFYSA-N 0 3 292.467 3.169 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCC[C@H](C)CCC ZINC001153566790 805403140 /nfs/dbraw/zinc/40/31/40/805403140.db2.gz MEOQKIJLAOKEHT-IAGOWNOFSA-N 0 3 294.483 3.443 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)C1CCCC1 ZINC001153846028 805417668 /nfs/dbraw/zinc/41/76/68/805417668.db2.gz AZZJDAIDICCRHG-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(C)cc2OCC)C1 ZINC001250179875 805466935 /nfs/dbraw/zinc/46/69/35/805466935.db2.gz JGQFIUIXKZRGAP-OAHLLOKOSA-N 0 3 257.377 3.239 20 30 CGEDHN CCC[C@@H](C)CC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001257478883 807175950 /nfs/dbraw/zinc/17/59/50/807175950.db2.gz UOMSRMLOAMZIQO-RDBSUJKOSA-N 0 3 272.433 3.101 20 30 CGEDHN CCCCCCC[C@H](C)NCc1cn(CCOC)cn1 ZINC001258040961 807270827 /nfs/dbraw/zinc/27/08/27/807270827.db2.gz KRIDFPUQSUOZNY-HNNXBMFYSA-N 0 3 281.444 3.368 20 30 CGEDHN CCCCCCC[C@H](C)N1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001258045185 807273625 /nfs/dbraw/zinc/27/36/25/807273625.db2.gz YFVWPEMKWWLIDR-LUKYLMHMSA-N 0 3 283.456 3.207 20 30 CGEDHN N#Cc1ccc(CN[C@H]2Cc3cccc(Cl)c3C2)o1 ZINC001168705820 807491818 /nfs/dbraw/zinc/49/18/18/807491818.db2.gz XDRDEQPLKWBGDY-NSHDSACASA-N 0 3 272.735 3.062 20 30 CGEDHN CCCCC[C@@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001258667561 807534647 /nfs/dbraw/zinc/53/46/47/807534647.db2.gz OMDFSRJJVCXTQN-KGLIPLIRSA-N 0 3 272.433 3.245 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H]1COC2(CCCCC2)O1 ZINC001169862099 807717565 /nfs/dbraw/zinc/71/75/65/807717565.db2.gz DNLICXHBNFLPQJ-CABCVRRESA-N 0 3 265.397 3.103 20 30 CGEDHN CC[C@H](CC#N)N[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170419293 807837310 /nfs/dbraw/zinc/83/73/10/807837310.db2.gz FGIMJMHYNDJNLP-ZIAGYGMSSA-N 0 3 274.364 3.018 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001262604836 807874289 /nfs/dbraw/zinc/87/42/89/807874289.db2.gz FFABJAPARSUFTK-INIZCTEOSA-N 0 3 274.408 3.070 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC001263085947 807931725 /nfs/dbraw/zinc/93/17/25/807931725.db2.gz OYCKPZUFDNEVNF-HOCLYGCPSA-N 0 3 274.408 3.164 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NC1CCSCC1 ZINC001263080745 807931843 /nfs/dbraw/zinc/93/18/43/807931843.db2.gz HIKMAIQKTKOLDA-CQSZACIVSA-N 0 3 286.485 3.076 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(F)CC1 ZINC001263181802 807938581 /nfs/dbraw/zinc/93/85/81/807938581.db2.gz WWRWQUQXRWPNHC-CQSZACIVSA-N 0 3 272.408 3.025 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](F)CCCCCC ZINC001171153901 807998345 /nfs/dbraw/zinc/99/83/45/807998345.db2.gz YERDKCAHJAYNLF-CYBMUJFWSA-N 0 3 292.826 3.143 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H](C)CC)C1 ZINC001263897774 808018993 /nfs/dbraw/zinc/01/89/93/808018993.db2.gz GWRHSQXQQIGWOQ-FPMFFAJLSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(CC(C)C)CCC2)[C@H]1CC ZINC001264058209 808030681 /nfs/dbraw/zinc/03/06/81/808030681.db2.gz HXWFMZAIZWMCBA-JKSUJKDBSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)/C(C)=C/C ZINC001264508704 808076798 /nfs/dbraw/zinc/07/67/98/808076798.db2.gz KUFMCOYNLHCCAA-FCXKZRAQSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](CC)CCCC)CC1 ZINC001265187703 808116641 /nfs/dbraw/zinc/11/66/41/808116641.db2.gz DBMNPLUWABIXCS-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN CCC[C@](C)(C#N)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171738537 808129043 /nfs/dbraw/zinc/12/90/43/808129043.db2.gz KGZPLEAESOEPEA-RYQLBKOJSA-N 0 3 285.435 3.321 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001265705858 808171704 /nfs/dbraw/zinc/17/17/04/808171704.db2.gz NWLKGIFFOMSWLI-ZAACICEASA-N 0 3 298.858 3.168 20 30 CGEDHN CC1(C#N)CCN([C@@H]2CSc3ccccc3C2)CC1 ZINC001172205665 808199126 /nfs/dbraw/zinc/19/91/26/808199126.db2.gz JKJACSQHCRFEPP-AWEZNQCLSA-N 0 3 272.417 3.329 20 30 CGEDHN Cc1cnc(CN[C@@H](C)Cc2ccc(C#N)cc2)s1 ZINC001172297598 808219695 /nfs/dbraw/zinc/21/96/95/808219695.db2.gz QDZOPTXTVSTDES-NSHDSACASA-N 0 3 271.389 3.044 20 30 CGEDHN CC[C@@H](C)OCC[C@H](C)NCC1(C#N)CCCC1 ZINC001172317853 808226360 /nfs/dbraw/zinc/22/63/60/808226360.db2.gz VNDORLKSPDBBIE-UONOGXRCSA-N 0 3 252.402 3.254 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCCC[C@@H](F)C1 ZINC001172316949 808226437 /nfs/dbraw/zinc/22/64/37/808226437.db2.gz YXHNZKBWASXFFI-CZUORRHYSA-N 0 3 260.356 3.313 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)[C@@H](C)c1ccccc1 ZINC001266306613 808239581 /nfs/dbraw/zinc/23/95/81/808239581.db2.gz ZIQSUAHLDDENFX-HNNXBMFYSA-N 0 3 288.435 3.398 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CCN(C(C)=O)CC1 ZINC001172358596 808253892 /nfs/dbraw/zinc/25/38/92/808253892.db2.gz QSOJBCDNYQGZBK-MRXNPFEDSA-N 0 3 268.445 3.290 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001266491195 808275983 /nfs/dbraw/zinc/27/59/83/808275983.db2.gz GVXWIDKJSZYRPY-LVQVYYBASA-N 0 3 296.430 3.010 20 30 CGEDHN C[C@H](CCCC#N)N1CCc2c(cnn2-c2ccccc2)C1 ZINC001172503347 808358892 /nfs/dbraw/zinc/35/88/92/808358892.db2.gz AFNFVTPNEIPVLW-OAHLLOKOSA-N 0 3 294.402 3.313 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(Cc2ccccc2F)CC1 ZINC001172507541 808364509 /nfs/dbraw/zinc/36/45/09/808364509.db2.gz WGFTUCUNABVRQO-OAHLLOKOSA-N 0 3 289.398 3.026 20 30 CGEDHN C=CCN(C)CCNC(=O)c1ccc(Cl)c(CCC)c1 ZINC001267226682 808386137 /nfs/dbraw/zinc/38/61/37/808386137.db2.gz YBBRAFWGHOCHSX-UHFFFAOYSA-N 0 3 294.826 3.140 20 30 CGEDHN N#Cc1coc(CN[C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001172711504 808414622 /nfs/dbraw/zinc/41/46/22/808414622.db2.gz BBDITRBVHOVCFD-CQSZACIVSA-N 0 3 272.735 3.062 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)CC1CCC1)c1ccccc1 ZINC001267517466 808437731 /nfs/dbraw/zinc/43/77/31/808437731.db2.gz PLSRIDHFNPYOHS-QGZVFWFLSA-N 0 3 286.419 3.200 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912100 808477663 /nfs/dbraw/zinc/47/76/63/808477663.db2.gz LWBYIZPPAVXTHJ-LSDHHAIUSA-N 0 3 287.363 3.124 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC(C)(C)CC)C1 ZINC001267786979 808491143 /nfs/dbraw/zinc/49/11/43/808491143.db2.gz SSPFDWQHKBLRSN-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN CC#CCCCC(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1 ZINC001267790819 808493754 /nfs/dbraw/zinc/49/37/54/808493754.db2.gz MQRSVDGQHKLPTQ-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)/C=C/C(C)(C)C)CCCC1 ZINC001267834247 808504631 /nfs/dbraw/zinc/50/46/31/808504631.db2.gz UBSJQHHWVQGYGU-JXMROGBWSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)c2ccccc2)CCCC1 ZINC001268030569 808528599 /nfs/dbraw/zinc/52/85/99/808528599.db2.gz HYFUSWZEECZANM-UHFFFAOYSA-N 0 3 292.810 3.071 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001268240200 808566209 /nfs/dbraw/zinc/56/62/09/808566209.db2.gz UZXXWQJINLFNKE-INIZCTEOSA-N 0 3 278.440 3.089 20 30 CGEDHN CCOC(=O)[C@H]1C[C@H](C)CCN1C1CCC(CC#N)CC1 ZINC001173337244 808618476 /nfs/dbraw/zinc/61/84/76/808618476.db2.gz CUDOLWFRBBWIES-PRLABOORSA-N 0 3 292.423 3.122 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1 ZINC001268743759 808619821 /nfs/dbraw/zinc/61/98/21/808619821.db2.gz UTLGEVGFPGZYOE-AWEZNQCLSA-N 0 3 292.398 3.119 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](CC)C(C)(C)C ZINC001268979026 808640276 /nfs/dbraw/zinc/64/02/76/808640276.db2.gz SXTALFZSXXZCSG-JYJNAYRXSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001269069407 808646307 /nfs/dbraw/zinc/64/63/07/808646307.db2.gz NDRXQDOBSJAFHL-HOTGVXAUSA-N 0 3 280.456 3.360 20 30 CGEDHN CC1(C#N)CCC(N2CCC[C@H]2c2ncccn2)CC1 ZINC001173597504 808650975 /nfs/dbraw/zinc/65/09/75/808650975.db2.gz WJVFDSONNSMWKN-BBBYJDLNSA-N 0 3 270.380 3.086 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC2(C)C)CCCC1 ZINC001269572478 808689325 /nfs/dbraw/zinc/68/93/25/808689325.db2.gz VJXLBTTWOMPJGY-ZDUSSCGKSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H](CNC[C@H](F)CC)C1CCCC1 ZINC001270421681 808730136 /nfs/dbraw/zinc/73/01/36/808730136.db2.gz HJOAUZSSBPRIGE-CABCVRRESA-N 0 3 298.446 3.211 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCC(=C)Cl)CCCC1 ZINC001270786329 808746904 /nfs/dbraw/zinc/74/69/04/808746904.db2.gz WZIOPOQCNCPTAC-AWEZNQCLSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(C)oc(C)c1C ZINC001272897752 808826573 /nfs/dbraw/zinc/82/65/73/808826573.db2.gz MXVADPKYLVXXDW-SNVBAGLBSA-N 0 3 298.814 3.055 20 30 CGEDHN C#CCNCCN(CC)C(=O)C1CCC(CCCC)CC1 ZINC001273738024 808859037 /nfs/dbraw/zinc/85/90/37/808859037.db2.gz NJNJSWRTOLYFHX-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccoc1C(C)C ZINC001274841773 808889968 /nfs/dbraw/zinc/88/99/68/808889968.db2.gz ZOXFCHRWKDOGDK-LBPRGKRZSA-N 0 3 298.814 3.254 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2(C)CCCC2)C(C)(C)C1 ZINC001276580868 809018720 /nfs/dbraw/zinc/01/87/20/809018720.db2.gz VUVSQPZJSPXPKQ-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001276821695 809035000 /nfs/dbraw/zinc/03/50/00/809035000.db2.gz ILYJBWXYETXIIV-GPANFISMSA-N 0 3 280.456 3.193 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)c2ccsc2)CC1 ZINC001278072753 809113790 /nfs/dbraw/zinc/11/37/90/809113790.db2.gz ZBDTYRAHHPRPRM-CYBMUJFWSA-N 0 3 292.448 3.008 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C(=C)C)[C@H]1C ZINC001278516349 809138487 /nfs/dbraw/zinc/13/84/87/809138487.db2.gz RGABNJRPWZMNQZ-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001281542867 809214134 /nfs/dbraw/zinc/21/41/34/809214134.db2.gz XPSBDZIFGOCUBT-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001281555185 809215637 /nfs/dbraw/zinc/21/56/37/809215637.db2.gz FRYZOTRSPQYNDZ-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccccc1F ZINC001282133092 809232949 /nfs/dbraw/zinc/23/29/49/809232949.db2.gz JOPLYRUUYINEMS-UONOGXRCSA-N 0 3 292.398 3.165 20 30 CGEDHN C/C=C/C[C@@H]1CCCN(Cc2cc(C#N)ccn2)C1 ZINC001175055090 809255389 /nfs/dbraw/zinc/25/53/89/809255389.db2.gz UMCPLYPNAMJYAD-BAABZTOOSA-N 0 3 255.365 3.131 20 30 CGEDHN CCCC[C@@H](CNC[C@@H](F)CC)NC(=O)C#CC(C)(C)C ZINC001282640244 809255514 /nfs/dbraw/zinc/25/55/14/809255514.db2.gz VQPTWZRVGVRLKP-GJZGRUSLSA-N 0 3 298.446 3.049 20 30 CGEDHN CCCC[C@H](CNC[C@H](F)CC)NC(=O)C#CC(C)(C)C ZINC001282640245 809256009 /nfs/dbraw/zinc/25/60/09/809256009.db2.gz VQPTWZRVGVRLKP-HUUCEWRRSA-N 0 3 298.446 3.049 20 30 CGEDHN N#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cn1 ZINC001175505090 809433406 /nfs/dbraw/zinc/43/34/06/809433406.db2.gz NWLAWRBJOVASBB-UHFFFAOYSA-N 0 3 290.370 3.155 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001185980753 810306550 /nfs/dbraw/zinc/30/65/50/810306550.db2.gz OFANMMDDPGILQU-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)Cc1ccc(C(=O)N[C@@]2(C)CCCN(C)C2)cc1 ZINC001190238590 810613301 /nfs/dbraw/zinc/61/33/01/810613301.db2.gz BQISMJBJQUDTKN-SFHVURJKSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001190388639 810625156 /nfs/dbraw/zinc/62/51/56/810625156.db2.gz OBCGIZPGKOIWDJ-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN CCN(C[C@H](C)C#N)C[C@H]1CCCC12CCOCC2 ZINC001190642782 810641747 /nfs/dbraw/zinc/64/17/47/810641747.db2.gz HRWMNLFPSWJLCI-HUUCEWRRSA-N 0 3 264.413 3.065 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N(CC)CCN(C)C ZINC001192916402 810828229 /nfs/dbraw/zinc/82/82/29/810828229.db2.gz VKGFBLGLMBUSNB-HNNXBMFYSA-N 0 3 285.476 3.329 20 30 CGEDHN CCCCCCCN1CCCN(C(=O)C(C)(F)F)CC1 ZINC001194638498 811100158 /nfs/dbraw/zinc/10/01/58/811100158.db2.gz CGFWFXSSPCRVLH-UHFFFAOYSA-N 0 3 290.398 3.146 20 30 CGEDHN CCCCCCCCCOC(=O)N[C@@H]1CCN(C)C1 ZINC001194919785 811170410 /nfs/dbraw/zinc/17/04/10/811170410.db2.gz JJSRBKVSSZQPGH-CQSZACIVSA-N 0 3 270.417 3.167 20 30 CGEDHN C#CCOCCN1CC=C(c2ccc(Cl)cc2C)CC1 ZINC001196708398 811359688 /nfs/dbraw/zinc/35/96/88/811359688.db2.gz RJRRSOWJLOUHFD-UHFFFAOYSA-N 0 3 289.806 3.387 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001196724560 811360197 /nfs/dbraw/zinc/36/01/97/811360197.db2.gz KLDFSBDWVXOGQI-FPLPWBNLSA-N 0 3 292.467 3.479 20 30 CGEDHN CCCCCCCCCNC(=S)N[C@@H]1CCN(CC)C1 ZINC001200380408 811685523 /nfs/dbraw/zinc/68/55/23/811685523.db2.gz PBYSMMYJDYRLKY-OAHLLOKOSA-N 0 3 299.528 3.295 20 30 CGEDHN C[NH+](C)Cc1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001201399703 811829147 /nfs/dbraw/zinc/82/91/47/811829147.db2.gz IBKWJVSRGRZMSA-UHFFFAOYSA-N 0 3 267.332 3.069 20 30 CGEDHN CCCCCCCCCN1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001201840045 811969768 /nfs/dbraw/zinc/96/97/68/811969768.db2.gz SGBUTFMWVJQDQH-BRWVUGGUSA-N 0 3 283.456 3.209 20 30 CGEDHN CCCCCCCCCN1CCN(c2ccncn2)CC1 ZINC001201852909 811972840 /nfs/dbraw/zinc/97/28/40/811972840.db2.gz RNOBICCHZOZAKI-UHFFFAOYSA-N 0 3 290.455 3.349 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CC(C)(C)C)C12CCC2 ZINC001202503702 812110215 /nfs/dbraw/zinc/11/02/15/812110215.db2.gz YZVXNAYNPWAVQI-OLZOCXBDSA-N 0 3 298.858 3.192 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204431990 812636084 /nfs/dbraw/zinc/63/60/84/812636084.db2.gz JJFUUGFQOWKBOT-GFCCVEGCSA-N 0 3 283.293 3.430 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(C)c2)no1 ZINC001206094223 813198562 /nfs/dbraw/zinc/19/85/62/813198562.db2.gz BBJYADXMBWSEQZ-UHFFFAOYSA-N 0 3 269.348 3.154 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(OCC)c2)no1 ZINC001206094324 813198571 /nfs/dbraw/zinc/19/85/71/813198571.db2.gz HGZAENKQVZPBRT-UHFFFAOYSA-N 0 3 299.374 3.244 20 30 CGEDHN C=CCN1CCN(C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207185940 813509921 /nfs/dbraw/zinc/50/99/21/813509921.db2.gz KWRXBVQAOUIPRS-WBVHZDCISA-N 0 3 290.838 3.247 20 30 CGEDHN C=CCCCCCCCCCN1CCCNC(=O)C1 ZINC001207898706 813667150 /nfs/dbraw/zinc/66/71/50/813667150.db2.gz CXFOUDHDVXPGGM-UHFFFAOYSA-N 0 3 266.429 3.115 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@@H](Oc3cnccn3)C2)CC1 ZINC001208179418 813731010 /nfs/dbraw/zinc/73/10/10/813731010.db2.gz YYTNELLLSVVEDD-IAGOWNOFSA-N 0 3 299.418 3.232 20 30 CGEDHN C#CCN1CCN(C[C@@H](C)c2cccc3ccccc32)CC1 ZINC001208708697 813810699 /nfs/dbraw/zinc/81/06/99/813810699.db2.gz FZDFUQFLGJVYPT-QGZVFWFLSA-N 0 3 292.426 3.194 20 30 CGEDHN CC/C=C\CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001208729089 813818675 /nfs/dbraw/zinc/81/86/75/813818675.db2.gz JXDAJDCOMMHYMB-ARJAWSKDSA-N 0 3 269.392 3.037 20 30 CGEDHN CN(CCCc1cccc(C#N)c1)Cc1ccccn1 ZINC001208844505 813864299 /nfs/dbraw/zinc/86/42/99/813864299.db2.gz JTGXEJPHSKXQCP-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN COC(=O)CCCCCCCCCN1CC(CC#N)C1 ZINC001209094734 813932833 /nfs/dbraw/zinc/93/28/33/813932833.db2.gz XXPZXTSKVLBLMT-UHFFFAOYSA-N 0 3 280.412 3.126 20 30 CGEDHN C=CCCCCCCCN1CC2(C1)CCN(C(C)=O)C2 ZINC001209439477 814039476 /nfs/dbraw/zinc/03/94/76/814039476.db2.gz RACGAGRKQONKOS-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2ncc(Cl)cc12 ZINC001209596643 814095857 /nfs/dbraw/zinc/09/58/57/814095857.db2.gz ALMFIGSAONAWBF-UHFFFAOYSA-N 0 3 261.756 3.390 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001210307627 814395115 /nfs/dbraw/zinc/39/51/15/814395115.db2.gz QDWKOIGMCBXNHO-RBSFLKMASA-N 0 3 280.456 3.071 20 30 CGEDHN COCCN(C)Cc1ccnc(-c2ccc(C#N)c(C)c2)c1 ZINC001242766705 823126371 /nfs/dbraw/zinc/12/63/71/823126371.db2.gz LORZBTWCYGRRHW-UHFFFAOYSA-N 0 3 295.386 3.007 20 30 CGEDHN CCCCCCCC[C@@H](C)OC[C@H]1CNCCO1 ZINC001217889397 815990283 /nfs/dbraw/zinc/99/02/83/815990283.db2.gz BHXCEIVOMSHXDQ-HUUCEWRRSA-N 0 3 257.418 3.131 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N[C@H](C)C[C@@H](C)CC ZINC001220240411 816284956 /nfs/dbraw/zinc/28/49/56/816284956.db2.gz KSXBZEHBYIRBBV-ZNMIVQPWSA-N 0 3 268.445 3.391 20 30 CGEDHN CCCCCCCCC(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001221974845 816338318 /nfs/dbraw/zinc/33/83/18/816338318.db2.gz GPABZKAUEUJGDF-HZPDHXFCSA-N 0 3 280.456 3.290 20 30 CGEDHN C=CCCCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224334748 816781270 /nfs/dbraw/zinc/78/12/70/816781270.db2.gz CPVKGNJIHGZVRV-IYBDPMFKSA-N 0 3 267.413 3.003 20 30 CGEDHN C[C@H](c1ccccn1)N1CC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001225224690 816969332 /nfs/dbraw/zinc/96/93/32/816969332.db2.gz BLNWRBUTGZXSIM-RHSMWYFYSA-N 0 3 293.370 3.168 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(C)C)CC1 ZINC001228474973 817916897 /nfs/dbraw/zinc/91/68/97/817916897.db2.gz AAFVLXQQZVNZPX-ZIAGYGMSSA-N 0 3 298.858 3.192 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001231376986 818087108 /nfs/dbraw/zinc/08/71/08/818087108.db2.gz HLJRAJMMRPXWMS-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN OC1CCN(Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578556 818128308 /nfs/dbraw/zinc/12/83/08/818128308.db2.gz MEMPRMQSWYYZAX-UHFFFAOYSA-N 0 3 291.394 3.043 20 30 CGEDHN CN(CCC#N)c1ccc(CN2CCCC[C@@H](F)C2)cc1 ZINC001231815804 818184388 /nfs/dbraw/zinc/18/43/88/818184388.db2.gz BJJALLNVSQMWSB-MRXNPFEDSA-N 0 3 289.398 3.360 20 30 CGEDHN CN1CCC[C@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233658065 818672461 /nfs/dbraw/zinc/67/24/61/818672461.db2.gz HNMYFCFVMPZOBI-LBPRGKRZSA-N 0 3 284.281 3.050 20 30 CGEDHN CCN1CCC[C@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233732352 818692928 /nfs/dbraw/zinc/69/29/28/818692928.db2.gz LTWGCEGLUYYZTQ-ZDUSSCGKSA-N 0 3 298.308 3.440 20 30 CGEDHN CC#CC[C@H](CC)Oc1cccc2c1CCN(C)C2 ZINC001234422650 818852555 /nfs/dbraw/zinc/85/25/55/818852555.db2.gz ITFLBJKNLIXGFP-HNNXBMFYSA-N 0 3 257.377 3.245 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234525355 818873042 /nfs/dbraw/zinc/87/30/42/818873042.db2.gz BGPHUZOXXJPMSL-FUHWJXTLSA-N 0 3 290.451 3.232 20 30 CGEDHN CCC#C[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657072 818907076 /nfs/dbraw/zinc/90/70/76/818907076.db2.gz ASNYIXDUZFFONU-INIZCTEOSA-N 0 3 286.419 3.009 20 30 CGEDHN N#CCc1ccccc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001235514948 819112867 /nfs/dbraw/zinc/11/28/67/819112867.db2.gz MSYZYNUNLRLKJX-GASCZTMLSA-N 0 3 276.330 3.230 20 30 CGEDHN N#CCc1ccccc1CN1CCC[C@@H](C(F)F)C1 ZINC001235522656 819114694 /nfs/dbraw/zinc/11/46/94/819114694.db2.gz HYHSJVUFDZVONE-CQSZACIVSA-N 0 3 264.319 3.230 20 30 CGEDHN C=CCCCCN(C)Cc1cccc(C(=O)OCC)n1 ZINC001236649898 819561603 /nfs/dbraw/zinc/56/16/03/819561603.db2.gz OPYJBBXITBODIJ-UHFFFAOYSA-N 0 3 276.380 3.046 20 30 CGEDHN C=CCN(C)Cc1ccc(OCC)c(Br)c1 ZINC001236668476 819567479 /nfs/dbraw/zinc/56/74/79/819567479.db2.gz YJRPJMIVMDVMOZ-UHFFFAOYSA-N 0 3 284.197 3.466 20 30 CGEDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC(S)CC1 ZINC001237139034 819676376 /nfs/dbraw/zinc/67/63/76/819676376.db2.gz BTSAKOZZDZTTOU-UHFFFAOYSA-N 0 3 291.338 3.305 20 30 CGEDHN Oc1ccc(C(F)(F)F)cc1CN1CCC(S)CC1 ZINC001237139034 819676380 /nfs/dbraw/zinc/67/63/80/819676380.db2.gz BTSAKOZZDZTTOU-UHFFFAOYSA-N 0 3 291.338 3.305 20 30 CGEDHN COc1c(C)cccc1CN1CCC[C@@H](C#N)CC1 ZINC001237512712 819767373 /nfs/dbraw/zinc/76/73/73/819767373.db2.gz GVJJLSDBCNLENO-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN3CC[C@H](C#N)C3)cc21 ZINC001237884279 819871069 /nfs/dbraw/zinc/87/10/69/819871069.db2.gz AGJLCFHERCLJSS-OAHLLOKOSA-N 0 3 281.403 3.033 20 30 CGEDHN N#CCOc1ccc(-c2ccc3c(N)ccnc3c2)cc1 ZINC001243593222 823460504 /nfs/dbraw/zinc/46/05/04/823460504.db2.gz HGIVANZKSIHZIK-UHFFFAOYSA-N 0 3 275.311 3.386 20 30 CGEDHN CN1CC=C(c2ccccc2C2(C#N)CCC2)CC1 ZINC001241332497 821739101 /nfs/dbraw/zinc/73/91/01/821739101.db2.gz JKYSDHOPXYNPLS-UHFFFAOYSA-N 0 3 252.361 3.351 20 30 CGEDHN CCC/C=C/c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242252260 822927887 /nfs/dbraw/zinc/92/78/87/822927887.db2.gz CBCHABLXCAHSFE-ABZNLYFFSA-N 0 3 287.363 3.239 20 30 CGEDHN N#Cc1ncccc1-c1cccc(CN2CCCC2)c1F ZINC001242312889 822948296 /nfs/dbraw/zinc/94/82/96/822948296.db2.gz FTNIIBAJHOBOJG-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN CS[C@H]1CC[C@H](N(C)Cc2csc(C#N)c2)C1 ZINC001335421068 936144852 /nfs/dbraw/zinc/14/48/52/936144852.db2.gz KVCAFQZDAKTKTE-RYUDHWBXSA-N 0 3 266.435 3.336 20 30 CGEDHN CC[C@@H](N[C@H](C)c1cnn(C)c1C)c1cccc(C#N)c1 ZINC001339193700 936357604 /nfs/dbraw/zinc/35/76/04/936357604.db2.gz KCWCOMSCVAMGPZ-SJKOYZFVSA-N 0 3 282.391 3.402 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc2ccc(C)nc21 ZINC001341644493 936445783 /nfs/dbraw/zinc/44/57/83/936445783.db2.gz GZBUVFUSYZLDRA-CQSZACIVSA-N 0 3 283.375 3.165 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCC=CCCC1)c1ccccn1 ZINC001343578973 936506958 /nfs/dbraw/zinc/50/69/58/936506958.db2.gz XKCVDIUFBYEXSV-ZIAGYGMSSA-N 0 3 254.333 3.394 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2cccc(F)n2)c(C)s1 ZINC001344587228 936539240 /nfs/dbraw/zinc/53/92/40/936539240.db2.gz PQKNDLCGUCVMKP-LLVKDONJSA-N 0 3 274.320 3.389 20 30 CGEDHN N#CCCc1ccc(NC(=O)[C@@H](N)C2CCCCCC2)cc1 ZINC001344802627 936544119 /nfs/dbraw/zinc/54/41/19/936544119.db2.gz SYDUGIKENOHJRE-KRWDZBQOSA-N 0 3 299.418 3.379 20 30 CGEDHN Cn1ccc2c1cccc2C([O-])=C(C#N)c1cccc(F)n1 ZINC001347107006 936870220 /nfs/dbraw/zinc/87/02/20/936870220.db2.gz KUPIJEOGJNBNFU-ZDUSSCGKSA-N 0 3 293.301 3.202 20 30 CGEDHN Cn1ccc2c1cccc2C(=O)C(C#N)c1cccc(F)n1 ZINC001347107006 936870223 /nfs/dbraw/zinc/87/02/23/936870223.db2.gz KUPIJEOGJNBNFU-ZDUSSCGKSA-N 0 3 293.301 3.202 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1ncc(F)cc1F)C(C)(C)C ZINC001347993893 936905748 /nfs/dbraw/zinc/90/57/48/936905748.db2.gz PROJWOXEVDYXGR-WPRPVWTQSA-N 0 3 266.291 3.218 20 30 CGEDHN C=CCC[C@H](NCc1cnc(C)o1)[C@@H]1Cc2ccccc2O1 ZINC001349785518 936962215 /nfs/dbraw/zinc/96/22/15/936962215.db2.gz FEIRCRKLTTYPNZ-WMZOPIPTSA-N 0 3 298.386 3.411 20 30 CGEDHN CCOC(=O)[C@@H](CC)N(CC1CCC(C#N)CC1)C1CC1 ZINC001354687792 937110177 /nfs/dbraw/zinc/11/01/77/937110177.db2.gz HVQCMVKBFMWJRD-ZBCRRDGASA-N 0 3 292.423 3.122 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001481535623 927020834 /nfs/dbraw/zinc/02/08/34/927020834.db2.gz FBGSOWRHMGQLFE-RDJZCZTQSA-N 0 3 298.446 3.452 20 30 CGEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001482328064 927219134 /nfs/dbraw/zinc/21/91/34/927219134.db2.gz YJAPIOWSTLUCEI-AWEZNQCLSA-N 0 3 292.398 3.119 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001482630127 927332673 /nfs/dbraw/zinc/33/26/73/927332673.db2.gz DLIGMFSVWLKAIW-CQSZACIVSA-N 0 3 268.445 3.025 20 30 CGEDHN C=CC1(CC(=O)N(C)CCN(C)CC(=C)C)CCCCC1 ZINC001482634472 927332905 /nfs/dbraw/zinc/33/29/05/927332905.db2.gz GIAKSKXXEKPKFL-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN C#CCCN(C)CCN(C)C(=O)C[C@H](C)C1CCCCC1 ZINC001482634966 927334418 /nfs/dbraw/zinc/33/44/18/927334418.db2.gz OWKTZHYGLGODHF-INIZCTEOSA-N 0 3 292.467 3.006 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(CCC)CCC1 ZINC001482862811 927370212 /nfs/dbraw/zinc/37/02/12/927370212.db2.gz YDFCUVNNCOATSC-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)cs2)C1 ZINC001484159305 927684010 /nfs/dbraw/zinc/68/40/10/927684010.db2.gz RWESKVFPCCIDGN-INIZCTEOSA-N 0 3 292.448 3.074 20 30 CGEDHN C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001484317642 927692065 /nfs/dbraw/zinc/69/20/65/927692065.db2.gz HULVGYWBIOEREE-WBZPIZBHSA-N 0 3 296.842 3.064 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC001484563189 927722431 /nfs/dbraw/zinc/72/24/31/927722431.db2.gz KVVSKIIOACXLPI-CQSZACIVSA-N 0 3 286.419 3.023 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001484715687 927741491 /nfs/dbraw/zinc/74/14/91/927741491.db2.gz VCADXGINFSDLHI-MRZGDXHCSA-N 0 3 298.858 3.312 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001484722390 927747664 /nfs/dbraw/zinc/74/76/64/927747664.db2.gz VEVRJTHZOOVAJF-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H](C)CC)cc2C1 ZINC001484875118 927764431 /nfs/dbraw/zinc/76/44/31/927764431.db2.gz UYQUXBVNWFCPQE-AWEZNQCLSA-N 0 3 286.419 3.241 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(CC)s1 ZINC001485061708 927803325 /nfs/dbraw/zinc/80/33/25/927803325.db2.gz KAQDDQXDDNYTLV-CYBMUJFWSA-N 0 3 292.448 3.033 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001485570738 927890431 /nfs/dbraw/zinc/89/04/31/927890431.db2.gz WJAYKSRXIWGJQQ-KBPBESRZSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C)C1 ZINC001485694197 927904187 /nfs/dbraw/zinc/90/41/87/927904187.db2.gz AMHZVZZYKLLSTM-CYUUQNCZSA-N 0 3 298.858 3.050 20 30 CGEDHN CC(C)OC[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000501446154 928048195 /nfs/dbraw/zinc/04/81/95/928048195.db2.gz BEVBUNGXOHRGRJ-ZDUSSCGKSA-N 0 3 299.336 3.460 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001144573195 928200597 /nfs/dbraw/zinc/20/05/97/928200597.db2.gz DJGZTDFFUMYMGI-IBGZPJMESA-N 0 3 295.357 3.460 20 30 CGEDHN C=CCCCN1CC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001490544013 928366169 /nfs/dbraw/zinc/36/61/69/928366169.db2.gz MDWRPVRJRQFTFG-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001490570645 928374426 /nfs/dbraw/zinc/37/44/26/928374426.db2.gz QMIILHQMUINPMF-JKSUJKDBSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001490579560 928375220 /nfs/dbraw/zinc/37/52/20/928375220.db2.gz FTWFFFJYVXBZHE-CVEARBPZSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCC(=O)N(CCC)C1CCN(CC=C)CC1 ZINC001490618564 928377789 /nfs/dbraw/zinc/37/77/89/928377789.db2.gz NHBVYDOHSUZCFX-UHFFFAOYSA-N 0 3 278.440 3.232 20 30 CGEDHN N#Cc1cc2c(nc1SCCN1CCCC1)CCCC2 ZINC001458913923 937476057 /nfs/dbraw/zinc/47/60/57/937476057.db2.gz RSUUXWDSFPAXGS-UHFFFAOYSA-N 0 3 287.432 3.020 20 30 CGEDHN C=CC[C@@H](C)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC001459768237 937499451 /nfs/dbraw/zinc/49/94/51/937499451.db2.gz GARVVGJSFMMOLR-PBHICJAKSA-N 0 3 257.377 3.125 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC(C3CCCCC3)CC2)C1=O ZINC001460372854 937529784 /nfs/dbraw/zinc/52/97/84/937529784.db2.gz TVMJIUPQWHCCRF-QGZVFWFLSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN(C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407298 931952673 /nfs/dbraw/zinc/95/26/73/931952673.db2.gz WSFXBZCSJMZUSI-UHFFFAOYSA-N 0 3 263.344 3.238 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@@H]4C[C@@H]43)c2c1 ZINC001140117190 931955960 /nfs/dbraw/zinc/95/59/60/931955960.db2.gz NFRBXVNWSKXEPA-WBMJQRKESA-N 0 3 251.333 3.024 20 30 CGEDHN CCN(Cc1cc(C#N)ccc1Cl)C1CCOCC1 ZINC001140601280 931958972 /nfs/dbraw/zinc/95/89/72/931958972.db2.gz LNCCISDCTHBICY-UHFFFAOYSA-N 0 3 278.783 3.213 20 30 CGEDHN C#CC[C@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303920 932128899 /nfs/dbraw/zinc/12/88/99/932128899.db2.gz XHMALVGILCKFTB-HNNXBMFYSA-N 0 3 273.376 3.002 20 30 CGEDHN C=CC[C@H](NCc1ccc(OC)cc1)c1ccncc1 ZINC001461221629 937570180 /nfs/dbraw/zinc/57/01/80/937570180.db2.gz ZVRYRHSVURYVPE-KRWDZBQOSA-N 0 3 268.360 3.497 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001230589001 932594715 /nfs/dbraw/zinc/59/47/15/932594715.db2.gz UQIGVEWBINLHRJ-HNNXBMFYSA-N 0 3 292.423 3.396 20 30 CGEDHN C#Cc1cccc(NC2CCC(C)(N3CCOCC3)CC2)c1 ZINC001462048468 937614516 /nfs/dbraw/zinc/61/45/16/937614516.db2.gz GOACZSKUPKYFFC-UHFFFAOYSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230923313 932643435 /nfs/dbraw/zinc/64/34/35/932643435.db2.gz BQKXNMAWWFNLLT-HUUCEWRRSA-N 0 3 298.496 3.017 20 30 CGEDHN N#Cc1cnccc1-c1cccc(CN2CCCC2)c1F ZINC001244335759 932707827 /nfs/dbraw/zinc/70/78/27/932707827.db2.gz JBCJXFNGQYKPKV-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN CC(C)(N[C@H]1CC[C@@H](C#N)C1)c1cc(F)cc(F)c1 ZINC001254644036 932725531 /nfs/dbraw/zinc/72/55/31/932725531.db2.gz POIFTGXQDLISMV-YGRLFVJLSA-N 0 3 264.319 3.482 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1CC/C=C\CCC ZINC001316602125 932744685 /nfs/dbraw/zinc/74/46/85/932744685.db2.gz SNEBHQFWSYWWEC-ZBTGYSDGSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001316601088 932745564 /nfs/dbraw/zinc/74/55/64/932745564.db2.gz OGUHZNPPZXUGDG-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C#C[C@@H](NCCSc1cccc(Cl)c1)[C@H]1CCCO1 ZINC001307703435 932989281 /nfs/dbraw/zinc/98/92/81/932989281.db2.gz TYHXAUMKRVSIFG-HUUCEWRRSA-N 0 3 295.835 3.203 20 30 CGEDHN C=CCN(Cc1cccc(OC(C)C)c1)[C@@H](C)COC ZINC001307923240 933020432 /nfs/dbraw/zinc/02/04/32/933020432.db2.gz GDEJXYFDYVIFNG-HNNXBMFYSA-N 0 3 277.408 3.497 20 30 CGEDHN C=CCCCN(CC)CC(=O)N[C@H](C)c1ccccc1 ZINC001308134068 933055621 /nfs/dbraw/zinc/05/56/21/933055621.db2.gz LVLIHGPPZSRLNS-OAHLLOKOSA-N 0 3 274.408 3.152 20 30 CGEDHN C#C[C@@H]1CCCCN1Cc1ccc2ncccc2c1 ZINC001308143829 933056602 /nfs/dbraw/zinc/05/66/02/933056602.db2.gz WDZIQTUXIRBTMM-MRXNPFEDSA-N 0 3 250.345 3.223 20 30 CGEDHN CCCCCCCCCNC(=O)Cc1nc[nH]c1C ZINC001464026743 937684571 /nfs/dbraw/zinc/68/45/71/937684571.db2.gz LTBQBDQODDLPDS-UHFFFAOYSA-N 0 3 265.401 3.127 20 30 CGEDHN CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCN1C(C)C ZINC001464928972 937696837 /nfs/dbraw/zinc/69/68/37/937696837.db2.gz QJSFAEKGUGKHSB-INIZCTEOSA-N 0 3 293.455 3.038 20 30 CGEDHN C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001317096225 933529956 /nfs/dbraw/zinc/52/99/56/933529956.db2.gz RAWNYZBDCMSRSH-HNSVSWJLSA-N 0 3 296.430 3.202 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001317401309 933585389 /nfs/dbraw/zinc/58/53/89/933585389.db2.gz QKOCIXTXRDGNMM-APIJFGDWSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001317415364 933589436 /nfs/dbraw/zinc/58/94/36/933589436.db2.gz KLNKRZGCMFZIBF-GDBMZVCRSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(CC(C)C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC001466285475 937707657 /nfs/dbraw/zinc/70/76/57/937707657.db2.gz ZZDDNKVPNJDGHZ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001318478095 933732006 /nfs/dbraw/zinc/73/20/06/933732006.db2.gz KAWNSXOFZACJCZ-IRXDYDNUSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001467727947 937721593 /nfs/dbraw/zinc/72/15/93/937721593.db2.gz XNONNVDYUGLUGI-HOTGVXAUSA-N 0 3 292.467 3.191 20 30 CGEDHN C#CCN(Cc1cc(F)cc(Cl)c1)CC1CC1 ZINC001320462503 934051458 /nfs/dbraw/zinc/05/14/58/934051458.db2.gz XOKTVJVOXJTFCQ-UHFFFAOYSA-N 0 3 251.732 3.324 20 30 CGEDHN Cc1cncc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC001320569170 934067574 /nfs/dbraw/zinc/06/75/74/934067574.db2.gz JHQNCIXUKSXLTA-UHFFFAOYSA-N 0 3 277.371 3.104 20 30 CGEDHN C#CCN(C[C@@H](OC)c1ccc(Cl)cc1)CC1CC1 ZINC001321751300 934208542 /nfs/dbraw/zinc/20/85/42/934208542.db2.gz JXSZQFAMUOTHRO-MRXNPFEDSA-N 0 3 277.795 3.373 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001323232271 934375982 /nfs/dbraw/zinc/37/59/82/934375982.db2.gz PFZLPMLMFUICBE-VXGBXAGGSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1CCCCCC ZINC001323277425 934378206 /nfs/dbraw/zinc/37/82/06/934378206.db2.gz LGLKGIILLNQCFH-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001323334543 934386983 /nfs/dbraw/zinc/38/69/83/934386983.db2.gz ICJBKQYKWPZIJX-HOTGVXAUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001323357634 934388368 /nfs/dbraw/zinc/38/83/68/934388368.db2.gz OJAATTJXRCLZRI-MSOLQXFVSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001323357636 934388853 /nfs/dbraw/zinc/38/88/53/934388853.db2.gz OJAATTJXRCLZRI-ROUUACIJSA-N 0 3 298.430 3.113 20 30 CGEDHN CC(C)(NCc1nc(C#N)cs1)C1CCCCC1 ZINC001323934823 934441382 /nfs/dbraw/zinc/44/13/82/934441382.db2.gz BKDLFCQNZSTQEM-UHFFFAOYSA-N 0 3 263.410 3.463 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001324655494 934541375 /nfs/dbraw/zinc/54/13/75/934541375.db2.gz FJMKCFKBKHTRFR-DOTOQJQBSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001324679735 934548338 /nfs/dbraw/zinc/54/83/38/934548338.db2.gz FMBIIPXKIQMDNY-UEKDZROGSA-N 0 3 298.430 3.165 20 30 CGEDHN CC[C@@H](C)[C@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC001473641183 937815602 /nfs/dbraw/zinc/81/56/02/937815602.db2.gz OAWWQBPIMUIJSF-OLZOCXBDSA-N 0 3 277.437 3.176 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC2CCCC2)cc1 ZINC001326495560 934985308 /nfs/dbraw/zinc/98/53/08/934985308.db2.gz UMJKXLJLUAHHRG-HNNXBMFYSA-N 0 3 298.430 3.167 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H](N)C1CCCCC1 ZINC001328523729 935145528 /nfs/dbraw/zinc/14/55/28/935145528.db2.gz YSMVDFHEVJULCG-OAHLLOKOSA-N 0 3 266.429 3.099 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)C[C@@H](C)c1ccccc1C ZINC001329571082 935227812 /nfs/dbraw/zinc/22/78/12/935227812.db2.gz GIOFEFGCIMYXOO-HZPDHXFCSA-N 0 3 288.435 3.111 20 30 CGEDHN CC[C@@H](Cc1ccc(F)cc1)NC[C@@H](C#N)CCC#N ZINC001336795205 936217668 /nfs/dbraw/zinc/21/76/68/936217668.db2.gz SVBYEINRNCQELE-ZBFHGGJFSA-N 0 3 273.355 3.180 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC001338111488 936305827 /nfs/dbraw/zinc/30/58/27/936305827.db2.gz CIYXFBNNWUPLJK-ZFWWWQNUSA-N 0 3 263.381 3.325 20 30 CGEDHN N#Cc1ccc(CCNCc2ccc(F)c(F)c2F)cc1 ZINC001474208108 937844032 /nfs/dbraw/zinc/84/40/32/937844032.db2.gz RWCFDELIAMMWLR-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN C#CC1(NCc2ccc(OCC=C)c(OC)c2)CCCC1 ZINC001474246962 937846096 /nfs/dbraw/zinc/84/60/96/937846096.db2.gz LZVGKTBZWLSWQX-UHFFFAOYSA-N 0 3 285.387 3.296 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](CCC)OC ZINC001474327882 937851989 /nfs/dbraw/zinc/85/19/89/937851989.db2.gz KMSIGDYDBMAZAE-QGZVFWFLSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H]1CCN1CCC(=C)C ZINC001479250383 937918527 /nfs/dbraw/zinc/91/85/27/937918527.db2.gz RKXKQGIVROSJMH-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccccc2)CC1 ZINC001479989895 937930567 /nfs/dbraw/zinc/93/05/67/937930567.db2.gz NXAFJQDAPVCIKE-UHFFFAOYSA-N 0 3 286.419 3.189 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCCCCC(C)C)C1 ZINC001480737207 937942946 /nfs/dbraw/zinc/94/29/46/937942946.db2.gz NSVZSMCVDIADFD-QGZVFWFLSA-N 0 3 292.467 3.149 20 30 CGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC(C)=C(C)C)C1 ZINC001493963431 937952447 /nfs/dbraw/zinc/95/24/47/937952447.db2.gz XCEPZWJFGJRYMG-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN CCCCCCCN1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001494310342 937954294 /nfs/dbraw/zinc/95/42/94/937954294.db2.gz OZEIEQKCHACJHA-AWEZNQCLSA-N 0 3 286.435 3.286 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCCC ZINC001494651733 937955354 /nfs/dbraw/zinc/95/53/54/937955354.db2.gz GRBNEDGJXVPLSS-PMPSAXMXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001494656525 937955559 /nfs/dbraw/zinc/95/55/59/937955559.db2.gz USGZBQKUJLOWGD-PMPSAXMXSA-N 0 3 292.467 3.308 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]2C(C)C)CCCC1 ZINC001495961339 937960718 /nfs/dbraw/zinc/96/07/18/937960718.db2.gz NQLFORXTCPXMML-UONOGXRCSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)(C)CCC ZINC001498605804 937970423 /nfs/dbraw/zinc/97/04/23/937970423.db2.gz QZSYLNHVYYHXKL-UHFFFAOYSA-N 0 3 274.836 3.003 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C(C)(C)F ZINC001501658318 937980108 /nfs/dbraw/zinc/98/01/08/937980108.db2.gz MXOSIHQFEIHPOW-UHFFFAOYSA-N 0 3 292.398 3.059 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001502147864 937981730 /nfs/dbraw/zinc/98/17/30/937981730.db2.gz RGGBSUZXRAWWHF-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN1CC[C@@H](NC(=O)C(CCC)CCC)C[C@@H]1C ZINC001502969957 937984068 /nfs/dbraw/zinc/98/40/68/937984068.db2.gz QFXFQCVGWAUESR-DOTOQJQBSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001506862695 937992099 /nfs/dbraw/zinc/99/20/99/937992099.db2.gz ASDFCYFBBJVEGW-INIZCTEOSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCCCCC)C1 ZINC001508149134 937998487 /nfs/dbraw/zinc/99/84/87/937998487.db2.gz OXBXJKWYTJJJIX-UHFFFAOYSA-N 0 3 286.847 3.288 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)c1cccc(F)n1 ZINC001516783783 938009855 /nfs/dbraw/zinc/00/98/55/938009855.db2.gz XVYOMZSRELOTJX-NXEZZACHSA-N 0 3 282.265 3.222 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC001517047028 938010915 /nfs/dbraw/zinc/01/09/15/938010915.db2.gz ROOJBCIZQGHRAG-KIDURHIOSA-N 0 3 291.782 3.076 20 30 CGEDHN N#CC(C(=O)CCCF)c1nc2c(cccc2Cl)[nH]1 ZINC001517125078 938011251 /nfs/dbraw/zinc/01/12/51/938011251.db2.gz QITLROOYMHHVHB-QMMMGPOBSA-N 0 3 279.702 3.142 20 30 CGEDHN C=CC[C@H]1N(C(=O)[C@@H]2CCCN2C(C)C)CCCC1(C)C ZINC001519870378 938021399 /nfs/dbraw/zinc/02/13/99/938021399.db2.gz IYUQQCIUQGVVIJ-JKSUJKDBSA-N 0 3 292.467 3.453 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001522463032 938036713 /nfs/dbraw/zinc/03/67/13/938036713.db2.gz XFYFNFCWJNTFSO-JQFCIGGWSA-N 0 3 284.403 3.131 20 30 CGEDHN N#CC(C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)c1nc2ccccc2[nH]1 ZINC001523768186 938041237 /nfs/dbraw/zinc/04/12/37/938041237.db2.gz DESRZDRNTVLIOQ-NENRRYLJSA-N 0 3 291.354 3.031 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC001528336150 938066905 /nfs/dbraw/zinc/06/69/05/938066905.db2.gz VQHCXJSXKOXEAY-HNNXBMFYSA-N 0 3 286.419 3.108 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001537815628 938113618 /nfs/dbraw/zinc/11/36/18/938113618.db2.gz WRTYAVNMWLPAQT-DAYGRLMNSA-N 0 3 288.435 3.396 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001559688774 938232815 /nfs/dbraw/zinc/23/28/15/938232815.db2.gz CSKLXQNVFCAVHI-IRXDYDNUSA-N 0 3 275.392 3.268 20 30 CGEDHN CC(C)(C)C1=CCN(C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001559719405 938233495 /nfs/dbraw/zinc/23/34/95/938233495.db2.gz FEWMHDCANIOTMV-KRWDZBQOSA-N 0 3 284.403 3.270 20 30 CGEDHN C#CCCN(C/C=C\c1ccc(Cl)cc1)CCOC ZINC001560023692 938241866 /nfs/dbraw/zinc/24/18/66/938241866.db2.gz IPHBRBXTXQXEOS-WAYWQWQTSA-N 0 3 277.795 3.325 20 30 CGEDHN C#CC[N@@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)C(C)(C)C ZINC001560155995 938245561 /nfs/dbraw/zinc/24/55/61/938245561.db2.gz AECNLJKEFRAJKA-UHFFFAOYSA-N 0 3 299.370 3.041 20 30 CGEDHN C#CC[N@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)C(C)(C)C ZINC001560155995 938245562 /nfs/dbraw/zinc/24/55/62/938245562.db2.gz AECNLJKEFRAJKA-UHFFFAOYSA-N 0 3 299.370 3.041 20 30 CGEDHN C=CC[C@H]1CCN1Cc1ccc2c(c1)OC(F)(F)O2 ZINC001560206391 938247068 /nfs/dbraw/zinc/24/70/68/938247068.db2.gz WVNUDPYQAIIADO-NSHDSACASA-N 0 3 267.275 3.159 20 30 CGEDHN C#C[C@@H]1CCCCN1CCOc1ccc(SC)cc1 ZINC001560209764 938247282 /nfs/dbraw/zinc/24/72/82/938247282.db2.gz XGVCGTVKHOYMIS-CQSZACIVSA-N 0 3 275.417 3.275 20 30 CGEDHN C#CCCN(CCOC)Cc1ccc(CCC)s1 ZINC001560946789 938283622 /nfs/dbraw/zinc/28/36/22/938283622.db2.gz ZANGHEKJKTXLKN-UHFFFAOYSA-N 0 3 265.422 3.172 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC001574902798 960469717 /nfs/dbraw/zinc/46/97/17/960469717.db2.gz GXWQHELDZQKQGS-JKSUJKDBSA-N 0 3 278.440 3.241 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](C2CC2)C1 ZINC001577426216 960476424 /nfs/dbraw/zinc/47/64/24/960476424.db2.gz JAGOMYVQWOPDDI-CVEARBPZSA-N 0 3 280.456 3.323 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCCCCF)C1 ZINC001566626650 960969114 /nfs/dbraw/zinc/96/91/14/960969114.db2.gz UVEVGAJLVFQIES-OAHLLOKOSA-N 0 3 298.446 3.309 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001566633481 960972141 /nfs/dbraw/zinc/97/21/41/960972141.db2.gz PGTJNCMDHJAIGO-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)CC1(C)CC1)c1ccccc1 ZINC001567661242 961379846 /nfs/dbraw/zinc/37/98/46/961379846.db2.gz SXDMVOHBAZRDJB-INIZCTEOSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)/C(C)=C/CC)c1ccccc1 ZINC001567656466 961384699 /nfs/dbraw/zinc/38/46/99/961384699.db2.gz PEXNRLWAEPFVDT-NQUDRAQSSA-N 0 3 286.419 3.366 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)CC/C=C\c1ccccc1 ZINC001569137634 961697282 /nfs/dbraw/zinc/69/72/82/961697282.db2.gz GDUIANYPHYUEMD-IYCSXQJISA-N 0 3 286.419 3.103 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1ccc2ccccc2c1 ZINC001569149862 961708598 /nfs/dbraw/zinc/70/85/98/961708598.db2.gz MTYSWPWOFCLFMV-HNNXBMFYSA-N 0 3 296.414 3.005 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1sccc1C(C)C ZINC001569152859 961713412 /nfs/dbraw/zinc/71/34/12/961713412.db2.gz KPRFAJDUKQIVKI-GFCCVEGCSA-N 0 3 280.437 3.108 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001569369531 961756019 /nfs/dbraw/zinc/75/60/19/961756019.db2.gz HRNHEXICCOZBBJ-SJLPKXTDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(CCCC)CC2)C1 ZINC001569719586 961834475 /nfs/dbraw/zinc/83/44/75/961834475.db2.gz MPNNKXKIINOAMP-QGZVFWFLSA-N 0 3 292.467 3.361 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)C(C)C ZINC001571615316 962186953 /nfs/dbraw/zinc/18/69/53/962186953.db2.gz NFJBCHWGQNOBIU-NVXWUHKLSA-N 0 3 280.456 3.023 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](CC)CCC)C1 ZINC001571663768 962209928 /nfs/dbraw/zinc/20/99/28/962209928.db2.gz FWWOBQUKAJNFPS-IYXRBSQSSA-N 0 3 286.847 3.144 20 30 CGEDHN C=CC1(CC(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)CCCCC1 ZINC001574880953 962322487 /nfs/dbraw/zinc/32/24/87/962322487.db2.gz VIAHPQJLBFBIDP-RBSFLKMASA-N 0 3 278.440 3.110 20 30 CGEDHN C#Cc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)cc1 ZINC001584968027 962971922 /nfs/dbraw/zinc/97/19/22/962971922.db2.gz NSKNBJAWGPZHPQ-UHFFFAOYSA-N 0 3 298.430 3.004 20 30 CGEDHN C=CCN(Cc1ccccc1)C(=O)CN(C)CC(C)(C)C ZINC001587804524 963222699 /nfs/dbraw/zinc/22/26/99/963222699.db2.gz NJWCVVGFWVBNML-UHFFFAOYSA-N 0 3 288.435 3.179 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588594915 963288161 /nfs/dbraw/zinc/28/81/61/963288161.db2.gz VSYQLGUHCYJWCN-MLGOLLRUSA-N 0 3 297.406 3.188 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588594915 963288166 /nfs/dbraw/zinc/28/81/66/963288166.db2.gz VSYQLGUHCYJWCN-MLGOLLRUSA-N 0 3 297.406 3.188 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCC1(F)F ZINC000589921256 346817026 /nfs/dbraw/zinc/81/70/26/346817026.db2.gz JNRJARXNTAQODJ-ZIAGYGMSSA-N 0 3 292.329 3.063 20 30 CGEDHN N#Cc1ccc(CNCCCC(F)(F)F)c(F)c1 ZINC000125110409 187169776 /nfs/dbraw/zinc/16/97/76/187169776.db2.gz SSPBJOZJJCHNEV-UHFFFAOYSA-N 0 3 260.234 3.129 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2nnc3ccccn32)C1 ZINC000651669964 398265717 /nfs/dbraw/zinc/26/57/17/398265717.db2.gz PRQALDGMQGKKGA-MCIONIFRSA-N 0 3 270.380 3.125 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC3(CC2)OCc2ccccc23)C1 ZINC000590162533 346833705 /nfs/dbraw/zinc/83/37/05/346833705.db2.gz FXTVCEWGHHCPCR-GOEBONIOSA-N 0 3 282.387 3.200 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@](CO)(C(C)C)C1 ZINC000590203753 346836386 /nfs/dbraw/zinc/83/63/86/346836386.db2.gz WURFKXJAFCXRFN-SFHVURJKSA-N 0 3 286.419 3.097 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651747778 398280713 /nfs/dbraw/zinc/28/07/13/398280713.db2.gz PSIIYEXUWOJWMM-MFKMUULPSA-N 0 3 283.774 3.241 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2noc3c2CCCC3)C1 ZINC000651813095 398291117 /nfs/dbraw/zinc/29/11/17/398291117.db2.gz WUSRXDMSUYOFTR-QWHCGFSZSA-N 0 3 260.381 3.388 20 30 CGEDHN Cc1ccc(CN(C)CCCOc2cccc(C#N)c2)nc1 ZINC000590754446 346871528 /nfs/dbraw/zinc/87/15/28/346871528.db2.gz JLUAARUVGVLJMX-UHFFFAOYSA-N 0 3 295.386 3.163 20 30 CGEDHN CO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000590761955 346872373 /nfs/dbraw/zinc/87/23/73/346872373.db2.gz HCYODAIYBPYDMN-DLBZAZTESA-N 0 3 284.403 3.256 20 30 CGEDHN C=C[C@H](C)N[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652159638 398326292 /nfs/dbraw/zinc/32/62/92/398326292.db2.gz CQHPFRVKQBLMSH-AAEUAGOBSA-N 0 3 279.380 3.328 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](C2CCC2)C1 ZINC000591237987 346910171 /nfs/dbraw/zinc/91/01/71/346910171.db2.gz NQGIQADOOBNZIM-ROUUACIJSA-N 0 3 296.414 3.408 20 30 CGEDHN N#Cc1ccc(CNC[C@H](O)CC2CCCC2)cc1Cl ZINC000591765932 346935323 /nfs/dbraw/zinc/93/53/23/346935323.db2.gz SIJNICORXQCFJO-OAHLLOKOSA-N 0 3 292.810 3.242 20 30 CGEDHN N#CCC1(CNC[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000591764397 346935466 /nfs/dbraw/zinc/93/54/66/346935466.db2.gz JPQOWUWAFHMVET-GOSISDBHSA-N 0 3 294.398 3.027 20 30 CGEDHN CCc1ccc([C@@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000336603791 529712983 /nfs/dbraw/zinc/71/29/83/529712983.db2.gz PYJKAFYACCPOOX-XJKSGUPXSA-N 0 3 270.376 3.115 20 30 CGEDHN N#Cc1ccccc1N1CCCN(CC2=CCCC2)CC1 ZINC000592060292 346958165 /nfs/dbraw/zinc/95/81/65/346958165.db2.gz IMGUGERPXGYJRZ-UHFFFAOYSA-N 0 3 281.403 3.181 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000592071155 346960377 /nfs/dbraw/zinc/96/03/77/346960377.db2.gz DLCOHHSAYGCEHK-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN N#CC[C@@]1(O)CCN(C(c2ccccc2)c2ccccc2)C1 ZINC000592146764 346966770 /nfs/dbraw/zinc/96/67/70/346966770.db2.gz KEWUNFOKOGJPBM-LJQANCHMSA-N 0 3 292.382 3.126 20 30 CGEDHN CCN(Cc1ccncc1C#N)[C@@H]1CCCC[C@@H]1C ZINC000592117075 346964335 /nfs/dbraw/zinc/96/43/35/346964335.db2.gz WSESQWBTYLDWNM-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)[C@@H]1CCC[C@@H](C)C1 ZINC000592127088 346965050 /nfs/dbraw/zinc/96/50/50/346965050.db2.gz UDGQAMLEEIHTBH-HZSPNIEDSA-N 0 3 257.381 3.258 20 30 CGEDHN N#CCCOCCNC1(c2cccc(Cl)c2)CCC1 ZINC000592183433 346970435 /nfs/dbraw/zinc/97/04/35/346970435.db2.gz IOUKAESJXCUKET-UHFFFAOYSA-N 0 3 278.783 3.239 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)CC(F)F ZINC000592372600 346979695 /nfs/dbraw/zinc/97/96/95/346979695.db2.gz BKHMGRHRUMWALK-SECBINFHSA-N 0 3 256.271 3.078 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000592392106 346982496 /nfs/dbraw/zinc/98/24/96/346982496.db2.gz AEJQTFXZDRPDNO-JQWIXIFHSA-N 0 3 294.301 3.180 20 30 CGEDHN CC(C)C[C@H](CN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592521797 346995478 /nfs/dbraw/zinc/99/54/78/346995478.db2.gz CBSXKOBNDCSQPY-QZTJIDSGSA-N 0 3 286.419 3.167 20 30 CGEDHN C[C@H](CCC#N)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593116372 347041070 /nfs/dbraw/zinc/04/10/70/347041070.db2.gz LLTHBEWFCXLQMQ-CHWSQXEVSA-N 0 3 260.356 3.480 20 30 CGEDHN C=CCC[C@H](O)CN(Cc1cccs1)C1CC1 ZINC000036103453 344943480 /nfs/dbraw/zinc/94/34/80/344943480.db2.gz RCFJSSJSJINXHC-ZDUSSCGKSA-N 0 3 251.395 3.040 20 30 CGEDHN C=C(C)CN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000045004483 345019084 /nfs/dbraw/zinc/01/90/84/345019084.db2.gz UJYBHJVFQMWSOL-AWEZNQCLSA-N 0 3 261.365 3.417 20 30 CGEDHN CN(CCCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000058506691 345196314 /nfs/dbraw/zinc/19/63/14/345196314.db2.gz HPQNHIFFTTVTNN-UHFFFAOYSA-N 0 3 272.270 3.321 20 30 CGEDHN C[C@@H](NC[C@@H](O)CCc1ccccc1)c1cccc(C#N)c1 ZINC000273252387 192089000 /nfs/dbraw/zinc/08/90/00/192089000.db2.gz LBUFLOOXXZAKAT-BEFAXECRSA-N 0 3 294.398 3.203 20 30 CGEDHN N#Cc1ccc(F)cc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000160983723 232248093 /nfs/dbraw/zinc/24/80/93/232248093.db2.gz LFLCOGMELZIYJS-OKILXGFUSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCOc1ccccc1CN(CC)C[C@@H]1CCCO1 ZINC000092407354 345837813 /nfs/dbraw/zinc/83/78/13/345837813.db2.gz OECAYOGZFORICP-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1ccc(C#N)cc1 ZINC000094078971 345894767 /nfs/dbraw/zinc/89/47/67/345894767.db2.gz KUXGIAFNQRPYQS-KZULUSFZSA-N 0 3 277.371 3.479 20 30 CGEDHN CC(C)[C@@H](CO)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000093529886 345883324 /nfs/dbraw/zinc/88/33/24/345883324.db2.gz YIYYHSKXQYJTFQ-GOSISDBHSA-N 0 3 298.386 3.170 20 30 CGEDHN C=CCSCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000156477335 346158724 /nfs/dbraw/zinc/15/87/24/346158724.db2.gz NNEGVXDBBHMLHE-CYBMUJFWSA-N 0 3 251.395 3.352 20 30 CGEDHN Cc1cc(F)ccc1CNCCOc1ccc(C#N)cc1 ZINC000174561309 346243552 /nfs/dbraw/zinc/24/35/52/346243552.db2.gz SAHYWSLLJREARE-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN N#Cc1ccc(OCCNC/C=C/c2ccccc2)cc1 ZINC000174561061 346243637 /nfs/dbraw/zinc/24/36/37/346243637.db2.gz GMVNEUVGEGSJHT-QPJJXVBHSA-N 0 3 278.355 3.240 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000233990157 346330351 /nfs/dbraw/zinc/33/03/51/346330351.db2.gz HOOYRFSSHSRXBS-QWHCGFSZSA-N 0 3 266.435 3.384 20 30 CGEDHN C=C(CC)CNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000313491248 346480507 /nfs/dbraw/zinc/48/05/07/346480507.db2.gz YQGBWKSUYXICRR-GFCCVEGCSA-N 0 3 261.365 3.074 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(Cl)s1 ZINC000320805802 346489526 /nfs/dbraw/zinc/48/95/26/346489526.db2.gz WKGUNTNAFHTRJH-ZJUUUORDSA-N 0 3 259.802 3.379 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000335999275 346497679 /nfs/dbraw/zinc/49/76/79/346497679.db2.gz NPQCCLPZZXUIDR-GXFFZTMASA-N 0 3 262.740 3.163 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337488786 346499277 /nfs/dbraw/zinc/49/92/77/346499277.db2.gz BWJKJLPJGCPBJJ-UKRRQHHQSA-N 0 3 290.407 3.225 20 30 CGEDHN N#CC1(CN[C@H]2Cc3ccc(Cl)cc3C2)CCCC1 ZINC000593653643 347100168 /nfs/dbraw/zinc/10/01/68/347100168.db2.gz UMVHBNOAKZYCES-HNNXBMFYSA-N 0 3 274.795 3.481 20 30 CGEDHN C[C@H](CCc1ccc(O)cc1)NCC1(C#N)CCCC1 ZINC000593653405 347100342 /nfs/dbraw/zinc/10/03/42/347100342.db2.gz JVHABXPJYAUMGI-CQSZACIVSA-N 0 3 272.392 3.387 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(OC3CCCC3)c2)C1 ZINC000572228193 346667734 /nfs/dbraw/zinc/66/77/34/346667734.db2.gz FZPXCVPNZPNQHV-UKRRQHHQSA-N 0 3 285.391 3.185 20 30 CGEDHN COc1cc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)ccn1 ZINC000585726476 346727828 /nfs/dbraw/zinc/72/78/28/346727828.db2.gz CHFJLDBJJGSFQJ-YVEFUNNKSA-N 0 3 293.370 3.300 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC(F)(F)C1 ZINC000593789221 347116863 /nfs/dbraw/zinc/11/68/63/347116863.db2.gz DHMYSPAYBDELCK-CQSZACIVSA-N 0 3 292.329 3.017 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC1(C2CCC2)CC1 ZINC000593834224 347117333 /nfs/dbraw/zinc/11/73/33/347117333.db2.gz HDVPCPIYMMJZAC-HNNXBMFYSA-N 0 3 282.387 3.208 20 30 CGEDHN CC(C)(C)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594424335 347173842 /nfs/dbraw/zinc/17/38/42/347173842.db2.gz AUAMLWRZNMZCJH-OAHLLOKOSA-N 0 3 287.407 3.334 20 30 CGEDHN CC(C)CC[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594445455 347174867 /nfs/dbraw/zinc/17/48/67/347174867.db2.gz GASFDWYGNUJMPA-HOTGVXAUSA-N 0 3 293.455 3.215 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)cc1F ZINC000594509747 347182321 /nfs/dbraw/zinc/18/23/21/347182321.db2.gz MDBNQQSKJYQVTL-DLBZAZTESA-N 0 3 288.366 3.135 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCC2(CC#N)CC2)cc1 ZINC000594522593 347188980 /nfs/dbraw/zinc/18/89/80/347188980.db2.gz LYEZVRPUBAEIAX-UHFFFAOYSA-N 0 3 267.376 3.271 20 30 CGEDHN CCCCOCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594917232 347228821 /nfs/dbraw/zinc/22/88/21/347228821.db2.gz IJWBZKCGVIVDNH-UHFFFAOYSA-N 0 3 272.392 3.148 20 30 CGEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cc[nH]c(=O)c1 ZINC000594942993 347237003 /nfs/dbraw/zinc/23/70/03/347237003.db2.gz FRERVFHLASOEQT-ZDUSSCGKSA-N 0 3 293.370 3.193 20 30 CGEDHN CCOCC(C)(C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594944912 347237726 /nfs/dbraw/zinc/23/77/26/347237726.db2.gz SQORVGCIOLPMOQ-UHFFFAOYSA-N 0 3 272.392 3.146 20 30 CGEDHN CO[C@H](CNCc1ccc(C2(C#N)CC2)cc1)CC(C)C ZINC000594949929 347238643 /nfs/dbraw/zinc/23/86/43/347238643.db2.gz IMUHILYFXXKTCJ-KRWDZBQOSA-N 0 3 286.419 3.392 20 30 CGEDHN CC[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CO1 ZINC000594959075 347240783 /nfs/dbraw/zinc/24/07/83/347240783.db2.gz RZQXJEKWTNUJNG-XHSDSOJGSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCCSCCNCc1cccc(OC)c1 ZINC000594960417 347241321 /nfs/dbraw/zinc/24/13/21/347241321.db2.gz PYJBRWQYUBLBHS-UHFFFAOYSA-N 0 3 251.395 3.094 20 30 CGEDHN C=CCCSCCNCc1ccc(Br)o1 ZINC000594960040 347241381 /nfs/dbraw/zinc/24/13/81/347241381.db2.gz IJYDXGPVEFXMLF-UHFFFAOYSA-N 0 3 290.226 3.441 20 30 CGEDHN C[C@H]1C[C@H](CNCc2nc(C#N)cs2)C[C@@H](C)C1 ZINC000594966351 347244360 /nfs/dbraw/zinc/24/43/60/347244360.db2.gz HPSIVZMFFLERMT-GDNZZTSVSA-N 0 3 263.410 3.177 20 30 CGEDHN C=CCCSCCNCc1cc(OC)c(OC)cc1F ZINC000594968143 347244499 /nfs/dbraw/zinc/24/44/99/347244499.db2.gz OZVWWJYUEKLRJV-UHFFFAOYSA-N 0 3 299.411 3.242 20 30 CGEDHN COC(=O)C[C@@H]1CC[C@H](NCC2(C#N)CCCCC2)[C@@H]1C ZINC000594981132 347247745 /nfs/dbraw/zinc/24/77/45/347247745.db2.gz HLVKKXFQNBWSAH-ILXRZTDVSA-N 0 3 292.423 3.028 20 30 CGEDHN CC1(C)CCN(C(=O)[C@H](N)CCCCC#N)CC(C)(C)C1 ZINC000595256692 347285809 /nfs/dbraw/zinc/28/58/09/347285809.db2.gz QRPKCWOEXMBAIR-CQSZACIVSA-N 0 3 293.455 3.072 20 30 CGEDHN CN(CCOc1ccccc1)CCc1ccc(C#N)cc1 ZINC000595292129 347287128 /nfs/dbraw/zinc/28/71/28/347287128.db2.gz PQWGEJWVNULAJL-UHFFFAOYSA-N 0 3 280.371 3.112 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCn2nccc21 ZINC000595043556 347267287 /nfs/dbraw/zinc/26/72/87/347267287.db2.gz HWVIZCVFSMUAOY-IRXDYDNUSA-N 0 3 292.386 3.257 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1COC2(CCC2)C1 ZINC000595045307 347268017 /nfs/dbraw/zinc/26/80/17/347268017.db2.gz TWLXRDNLDKYOBN-RDJZCZTQSA-N 0 3 282.387 3.237 20 30 CGEDHN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000595104263 347284085 /nfs/dbraw/zinc/28/40/85/347284085.db2.gz RMTWLGLPFJBULQ-IYOUNJFTSA-N 0 3 280.371 3.331 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1occc1C(=O)OC ZINC000595605404 347325450 /nfs/dbraw/zinc/32/54/50/347325450.db2.gz XVIRBSBGYALGNH-OCCSQVGLSA-N 0 3 277.364 3.291 20 30 CGEDHN C=CC[C@@H]1CCCN(CC[S@](=O)c2ccccc2)C1 ZINC000595661351 347335578 /nfs/dbraw/zinc/33/55/78/347335578.db2.gz ZGDJINQPJCOREN-BEFAXECRSA-N 0 3 277.433 3.082 20 30 CGEDHN CCCN(CCN1CCCC1)[C@@H](C#N)c1ccccc1 ZINC000595494442 347311353 /nfs/dbraw/zinc/31/13/53/347311353.db2.gz YSMSWLZRFIYJRX-KRWDZBQOSA-N 0 3 271.408 3.059 20 30 CGEDHN CN(c1ccccc1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000595826759 347361546 /nfs/dbraw/zinc/36/15/46/347361546.db2.gz OVJOWEVXFPYDQG-IBGZPJMESA-N 0 3 291.398 3.269 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1ccc(C(=O)OC)o1 ZINC000595845394 347367075 /nfs/dbraw/zinc/36/70/75/347367075.db2.gz NJLCYLUMHXETRW-UPJWGTAASA-N 0 3 275.348 3.310 20 30 CGEDHN C[C@]1(C#N)CCN(C[C@H]2CCc3ccccc3C2)C1 ZINC000595844567 347367559 /nfs/dbraw/zinc/36/75/59/347367559.db2.gz VBQCKJYEYYPNSF-WMLDXEAASA-N 0 3 254.377 3.027 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)[C@@H](C)CC#N)c1 ZINC000596776483 347510371 /nfs/dbraw/zinc/51/03/71/347510371.db2.gz KAVGYLGOUUIFLG-ZDUSSCGKSA-N 0 3 273.380 3.017 20 30 CGEDHN N#CC[C@@H]1CCCN(CCCc2ccc3c(c2)CCO3)C1 ZINC000597177521 347545294 /nfs/dbraw/zinc/54/52/94/347545294.db2.gz OCMUTUZMDVGLCF-INIZCTEOSA-N 0 3 284.403 3.180 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)Cc1ccc2c(c1)CCCC2 ZINC000597081774 347533878 /nfs/dbraw/zinc/53/38/78/347533878.db2.gz DFZYEPVATBASOS-UONOGXRCSA-N 0 3 256.393 3.246 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(C(C)(F)F)cc1 ZINC000598727159 347683698 /nfs/dbraw/zinc/68/36/98/347683698.db2.gz DIKYPSAOBJJIFG-AWEZNQCLSA-N 0 3 296.361 3.189 20 30 CGEDHN N#CCCCCNCc1c(F)ccc(F)c1Cl ZINC000598963891 347701537 /nfs/dbraw/zinc/70/15/37/347701537.db2.gz RPBXXVZHUHTUPU-UHFFFAOYSA-N 0 3 258.699 3.402 20 30 CGEDHN Cc1csc([C@@H](C)NCC2CCC(C#N)CC2)n1 ZINC000599046999 347710226 /nfs/dbraw/zinc/71/02/26/347710226.db2.gz VTPKSWSHNDFDJC-PNESKVBLSA-N 0 3 263.410 3.432 20 30 CGEDHN N#CC[C@@H]1CC[C@H](N[C@H]2CCCc3scnc32)C1 ZINC000599049429 347711113 /nfs/dbraw/zinc/71/11/13/347711113.db2.gz WXBSCEHDMZBHHD-SRVKXCTJSA-N 0 3 261.394 3.192 20 30 CGEDHN CC(C)CC[C@@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000599067704 347713413 /nfs/dbraw/zinc/71/34/13/347713413.db2.gz HGEHKHGMYBVZPR-DOMZBBRYSA-N 0 3 278.371 3.145 20 30 CGEDHN CN(Cc1cc2ccccc2o1)C[C@@H](O)CC(C)(C)C#N ZINC000598595358 347669352 /nfs/dbraw/zinc/66/93/52/347669352.db2.gz NKQQTZJBSIJKPX-AWEZNQCLSA-N 0 3 286.375 3.165 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@@H]2CCCC[C@@]21C ZINC000599671830 347763200 /nfs/dbraw/zinc/76/32/00/347763200.db2.gz SDHISAUEVRMFJM-RDJZCZTQSA-N 0 3 270.376 3.331 20 30 CGEDHN C[C@]12CCCC[C@H]1CN2Cc1ccc(C#N)c(F)c1 ZINC000599671740 347763444 /nfs/dbraw/zinc/76/34/44/347763444.db2.gz RLVXVYBGBAPHSM-HOCLYGCPSA-N 0 3 258.340 3.462 20 30 CGEDHN N#CCc1cccc2c1CCN(CC[C@H]1CCCCO1)C2 ZINC000599677537 347763955 /nfs/dbraw/zinc/76/39/55/347763955.db2.gz KYYPGWVTFRCTRS-QGZVFWFLSA-N 0 3 284.403 3.070 20 30 CGEDHN CC(C)(C#N)CCCN1CCc2c(CC#N)cccc2C1 ZINC000599679875 347765189 /nfs/dbraw/zinc/76/51/89/347765189.db2.gz YXMQLRPHGLYCJH-UHFFFAOYSA-N 0 3 281.403 3.441 20 30 CGEDHN CC/C=C\CCN1CCc2c(CC#N)cccc2C1 ZINC000599677923 347765327 /nfs/dbraw/zinc/76/53/27/347765327.db2.gz MTHVDVNXVYKPEY-ARJAWSKDSA-N 0 3 254.377 3.467 20 30 CGEDHN Cc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1C#N ZINC000599299521 347733746 /nfs/dbraw/zinc/73/37/46/347733746.db2.gz GHQCXFBHAWDRCK-STQMWFEESA-N 0 3 260.406 3.193 20 30 CGEDHN Cc1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1C#N ZINC000599354867 347739158 /nfs/dbraw/zinc/73/91/58/347739158.db2.gz SEPMUQGNYHNICP-QGZVFWFLSA-N 0 3 296.418 3.477 20 30 CGEDHN Cc1ccc(CN2CCOCC3(CCCC3)C2)cc1C#N ZINC000599372099 347740272 /nfs/dbraw/zinc/74/02/72/347740272.db2.gz XMUVYAKEFPSLKB-UHFFFAOYSA-N 0 3 284.403 3.259 20 30 CGEDHN Cc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1C#N ZINC000599453649 347746794 /nfs/dbraw/zinc/74/67/94/347746794.db2.gz WZWZWLFCIGGOFJ-CQSZACIVSA-N 0 3 262.303 3.098 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553697 347754368 /nfs/dbraw/zinc/75/43/68/347754368.db2.gz YWXLTRSHKJJPRH-CABCVRRESA-N 0 3 288.416 3.037 20 30 CGEDHN C=CCCCN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599555682 347754410 /nfs/dbraw/zinc/75/44/10/347754410.db2.gz RUKDWDZWFHLLOX-UHFFFAOYSA-N 0 3 294.420 3.075 20 30 CGEDHN N#CC1(C[C@@H](O)CNCc2cccc(Cl)c2Cl)CC1 ZINC000600715846 347830271 /nfs/dbraw/zinc/83/02/71/347830271.db2.gz CAGGLRRVUHAIGD-LLVKDONJSA-N 0 3 299.201 3.138 20 30 CGEDHN CC(C)CCO[C@H]1CC[C@H](NC[C@H](C#N)CCC#N)CC1 ZINC000600764181 347832680 /nfs/dbraw/zinc/83/26/80/347832680.db2.gz YOZCTYMYXDXODN-ULQDDVLXSA-N 0 3 291.439 3.393 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCC12CC2 ZINC000600802223 347837794 /nfs/dbraw/zinc/83/77/94/347837794.db2.gz FOEYSHNCZBVZHU-SJORKVTESA-N 0 3 296.414 3.455 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccncc1Br ZINC000601126135 347872532 /nfs/dbraw/zinc/87/25/32/347872532.db2.gz ZHNBCOGEUAHOBK-UHFFFAOYSA-N 0 3 296.212 3.264 20 30 CGEDHN C=CCCSCCN[C@H]1CCCc2ncccc21 ZINC000601284591 347888780 /nfs/dbraw/zinc/88/87/80/347888780.db2.gz KVIXVFPTFFQQDN-HNNXBMFYSA-N 0 3 262.422 3.358 20 30 CGEDHN N#CC1(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCCC1 ZINC000601285773 347888949 /nfs/dbraw/zinc/88/89/49/347888949.db2.gz XCDVXRACFKSSEL-ZNMIVQPWSA-N 0 3 274.408 3.008 20 30 CGEDHN C[C@@H](NCc1cccc2c1CCOC2)c1cccc(C#N)c1 ZINC000601304313 347890483 /nfs/dbraw/zinc/89/04/83/347890483.db2.gz NJHIJKOSBSOXLJ-CQSZACIVSA-N 0 3 292.382 3.482 20 30 CGEDHN CC[C@@H](N[C@H]1CCCn2nccc21)c1ccc(C#N)cc1 ZINC000601321290 347891812 /nfs/dbraw/zinc/89/18/12/347891812.db2.gz ODMZWKNIUISEDW-CVEARBPZSA-N 0 3 280.375 3.331 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCOc2ccccc21 ZINC000602007332 347932319 /nfs/dbraw/zinc/93/23/19/347932319.db2.gz NXEOQVVGDBSBQP-AWEZNQCLSA-N 0 3 296.345 3.353 20 30 CGEDHN CC(C)C[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602016770 347933083 /nfs/dbraw/zinc/93/30/83/347933083.db2.gz ZVHPRNLIROHKKH-GJZGRUSLSA-N 0 3 290.382 3.381 20 30 CGEDHN N#Cc1cccc(CNCCCCOCc2ccccc2)n1 ZINC000602531460 347976691 /nfs/dbraw/zinc/97/66/91/347976691.db2.gz IORRPPSWEVUIMU-UHFFFAOYSA-N 0 3 295.386 3.040 20 30 CGEDHN CO[C@@](C)(CN(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000602442046 347959457 /nfs/dbraw/zinc/95/94/57/347959457.db2.gz RYKYEIGWHZXOOM-SFHVURJKSA-N 0 3 284.403 3.338 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@]3(CC=CCC3)C2)n1 ZINC000602472181 347963872 /nfs/dbraw/zinc/96/38/72/347963872.db2.gz OWLHQIHLIHBZLA-QGZVFWFLSA-N 0 3 267.376 3.276 20 30 CGEDHN N#Cc1cccc(CNCCCCCc2ccccc2)n1 ZINC000602534344 347977308 /nfs/dbraw/zinc/97/73/08/347977308.db2.gz TVOOVLGCJSGNGK-UHFFFAOYSA-N 0 3 279.387 3.456 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000602512789 347973567 /nfs/dbraw/zinc/97/35/67/347973567.db2.gz NGUWDRWIDADSFS-QLFBSQMISA-N 0 3 269.392 3.402 20 30 CGEDHN N#CC1CCC(NCc2ccn(C3CCCC3)n2)CC1 ZINC000602575465 347986373 /nfs/dbraw/zinc/98/63/73/347986373.db2.gz HSABJWIWEFXYCZ-UHFFFAOYSA-N 0 3 272.396 3.170 20 30 CGEDHN N#Cc1cccc(CNCCC2=CCCCCC2)n1 ZINC000602612469 347994031 /nfs/dbraw/zinc/99/40/31/347994031.db2.gz SFAGXVIAMUVQGV-UHFFFAOYSA-N 0 3 255.365 3.323 20 30 CGEDHN C[C@H](CCC#N)CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000602639071 347998495 /nfs/dbraw/zinc/99/84/95/347998495.db2.gz ZHCULPLYMCHFEA-KGLIPLIRSA-N 0 3 291.370 3.004 20 30 CGEDHN C[C@H](CCC#N)CNc1cccc2c1OCC[C@H]2N(C)C ZINC000602638823 347998593 /nfs/dbraw/zinc/99/85/93/347998593.db2.gz FLWPIBHNRKOULK-CZUORRHYSA-N 0 3 287.407 3.424 20 30 CGEDHN Cc1cccc([C@@H]2CCCN2CC2(CC#N)CC2)n1 ZINC000602784762 348028448 /nfs/dbraw/zinc/02/84/48/348028448.db2.gz KBEMRZJRWUCLLL-HNNXBMFYSA-N 0 3 255.365 3.221 20 30 CGEDHN C[C@@H](CCC#N)CNCc1cccc(C(F)(F)F)n1 ZINC000602673112 348005613 /nfs/dbraw/zinc/00/56/13/348005613.db2.gz IKEVLBBHONVINU-JTQLQIEISA-N 0 3 271.286 3.130 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1cccc(C#N)n1 ZINC000602686783 348009162 /nfs/dbraw/zinc/00/91/62/348009162.db2.gz DQSUPOUMXGYSGF-CYBMUJFWSA-N 0 3 283.350 3.155 20 30 CGEDHN N#CC1CCC(N[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000602694957 348011337 /nfs/dbraw/zinc/01/13/37/348011337.db2.gz QSWRCKUHDAFRIX-UAOKOLBASA-N 0 3 258.340 3.296 20 30 CGEDHN CC(C)C[C@@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602748876 348023255 /nfs/dbraw/zinc/02/32/55/348023255.db2.gz UTRIHJMCLLZLAR-IBGZPJMESA-N 0 3 299.462 3.348 20 30 CGEDHN C[C@@H](CC1CCCCC1)CN1CCN(CCC#N)CC1 ZINC000602748475 348023351 /nfs/dbraw/zinc/02/33/51/348023351.db2.gz MQYIYMVNRYTUSG-INIZCTEOSA-N 0 3 277.456 3.124 20 30 CGEDHN N#CCC1(CN2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000602760058 348024397 /nfs/dbraw/zinc/02/43/97/348024397.db2.gz VPWYMXORXTWIJG-UHFFFAOYSA-N 0 3 270.376 3.265 20 30 CGEDHN C[C@@H](CCC#N)CNCc1coc(-c2ccccc2)n1 ZINC000602547226 347979949 /nfs/dbraw/zinc/97/99/49/347979949.db2.gz MGLJOMQPIKYKCZ-ZDUSSCGKSA-N 0 3 269.348 3.371 20 30 CGEDHN COc1cccc(F)c1[C@@H](C)NC[C@@H](C)CCC#N ZINC000602560480 347982197 /nfs/dbraw/zinc/98/21/97/347982197.db2.gz XNGPFBHYRZFPOQ-NWDGAFQWSA-N 0 3 264.344 3.425 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CC1(CC#N)CC1 ZINC000602845586 348036404 /nfs/dbraw/zinc/03/64/04/348036404.db2.gz KUWKCXQTFUFWJV-CYBMUJFWSA-N 0 3 253.349 3.245 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC=C(c2cnn(C)c2)C1 ZINC000602886073 348041078 /nfs/dbraw/zinc/04/10/78/348041078.db2.gz GGUCOEZXYQXANT-AWEZNQCLSA-N 0 3 292.386 3.142 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)CC2CCC(C)CC2)CC1 ZINC000604328184 348116118 /nfs/dbraw/zinc/11/61/18/348116118.db2.gz JZCBOXOJOQPURL-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN COc1ccc(CCCN(C)Cc2ccnc(C#N)c2)cc1 ZINC000610991268 348413872 /nfs/dbraw/zinc/41/38/72/348413872.db2.gz BYYRFSQVMYDUQH-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccnc(C#N)c1 ZINC000610994684 348416111 /nfs/dbraw/zinc/41/61/11/348416111.db2.gz MXYRGNGNXLRMMC-KDOFPFPSSA-N 0 3 277.371 3.331 20 30 CGEDHN N#Cc1csc(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000611271250 348434412 /nfs/dbraw/zinc/43/44/12/348434412.db2.gz AYMCMFAOTIQGNY-GFCCVEGCSA-N 0 3 258.346 3.202 20 30 CGEDHN COc1cccc(OCCN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611387470 348443772 /nfs/dbraw/zinc/44/37/72/348443772.db2.gz OUEOTECOXPDZAL-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN CC(C)(C)OCCCNC1(c2cccc(C#N)c2)CC1 ZINC000611396109 348446377 /nfs/dbraw/zinc/44/63/77/348446377.db2.gz AEBGNXVILNMMJK-UHFFFAOYSA-N 0 3 272.392 3.342 20 30 CGEDHN C[C@H](C[C@H]1CCOC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000611587712 348462426 /nfs/dbraw/zinc/46/24/26/348462426.db2.gz PGFZHXJUUMZPKX-YRGRVCCFSA-N 0 3 276.355 3.163 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CN1C1CC1 ZINC000613427165 348601083 /nfs/dbraw/zinc/60/10/83/348601083.db2.gz SCKSCDKGNYMDTF-TZMCWYRMSA-N 0 3 298.434 3.288 20 30 CGEDHN CC(C)N1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159997 348653447 /nfs/dbraw/zinc/65/34/47/348653447.db2.gz HRXADKIEJFAARQ-UHFFFAOYSA-N 0 3 285.435 3.014 20 30 CGEDHN CCC1(CC)[C@@H](NCc2ccccc2C#N)C[C@@H]1OC ZINC000339511951 215221794 /nfs/dbraw/zinc/22/17/94/215221794.db2.gz ZVSKGJLEJYXJAU-HOTGVXAUSA-N 0 3 272.392 3.242 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358576514 233159175 /nfs/dbraw/zinc/15/91/75/233159175.db2.gz UFWATHWOKBUUFZ-XHDPSFHLSA-N 0 3 264.344 3.019 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(C#N)c1 ZINC000618570227 349108149 /nfs/dbraw/zinc/10/81/49/349108149.db2.gz XCHCTYBITBGNJJ-JGGQBBKZSA-N 0 3 253.349 3.291 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](Cn2cccn2)c2ccccc2)C1 ZINC000618569180 349108174 /nfs/dbraw/zinc/10/81/74/349108174.db2.gz NDQPUBKIUFMUFC-NJAFHUGGSA-N 0 3 294.402 3.296 20 30 CGEDHN Cc1ccncc1[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000618195906 349061360 /nfs/dbraw/zinc/06/13/60/349061360.db2.gz YVMHEJHTLAPHKL-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@H](OC(F)F)C1 ZINC000618304558 349067799 /nfs/dbraw/zinc/06/77/99/349067799.db2.gz PFDMOZUPUBZBPD-LBPRGKRZSA-N 0 3 274.355 3.410 20 30 CGEDHN CC(C)CC[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000619511104 349255399 /nfs/dbraw/zinc/25/53/99/349255399.db2.gz IHCMFNRWAMFIDS-XJKSGUPXSA-N 0 3 260.381 3.006 20 30 CGEDHN C[C@@H](NCC1(C(F)F)CC1)c1ccc(C#N)cc1F ZINC000359000689 233236575 /nfs/dbraw/zinc/23/65/75/233236575.db2.gz KJWJPVONEWJVBG-SECBINFHSA-N 0 3 268.282 3.393 20 30 CGEDHN C=CCCCCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624307428 350021626 /nfs/dbraw/zinc/02/16/26/350021626.db2.gz JQYCOCLKDVLLBW-MRXNPFEDSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CCCCCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624307427 350021665 /nfs/dbraw/zinc/02/16/65/350021665.db2.gz JQYCOCLKDVLLBW-INIZCTEOSA-N 0 3 293.455 3.049 20 30 CGEDHN C=C(CNCc1cnc2ccccn12)c1ccccc1 ZINC000620756707 349422223 /nfs/dbraw/zinc/42/22/23/349422223.db2.gz OGNGVVALEMGBNI-UHFFFAOYSA-N 0 3 263.344 3.137 20 30 CGEDHN C=CCC1(NCc2ncnn2C(C)(C)C)CCCCC1 ZINC000625934716 350233062 /nfs/dbraw/zinc/23/30/62/350233062.db2.gz XYBIVXWGPKKQEV-UHFFFAOYSA-N 0 3 276.428 3.402 20 30 CGEDHN C=CCCCCCN1CCc2nc(C3CC3)ncc2C1 ZINC000625966251 350237180 /nfs/dbraw/zinc/23/71/80/350237180.db2.gz AJRANHAKTPESRT-UHFFFAOYSA-N 0 3 271.408 3.459 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000628405741 350529597 /nfs/dbraw/zinc/52/95/97/350529597.db2.gz SXBMZAYMIJZAFS-CYBMUJFWSA-N 0 3 291.391 3.110 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1cccc(OC)c1OC ZINC000631599383 351085373 /nfs/dbraw/zinc/08/53/73/351085373.db2.gz KKEQADLKHJBQRL-HNNXBMFYSA-N 0 3 293.407 3.337 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000631818666 351148324 /nfs/dbraw/zinc/14/83/24/351148324.db2.gz TYTVCQXGQNAEFV-QGZVFWFLSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CC[C@@H](C)N[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271543450 191203970 /nfs/dbraw/zinc/20/39/70/191203970.db2.gz YXJBIMZTNKBMKV-ZIAGYGMSSA-N 0 3 284.407 3.499 20 30 CGEDHN CC(C)(C)c1nc(CCNCc2ccc(C#N)o2)cs1 ZINC000153667952 188095930 /nfs/dbraw/zinc/09/59/30/188095930.db2.gz GPYRQVKIFGHUIE-UHFFFAOYSA-N 0 3 289.404 3.238 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1ccccn1)C(C)C ZINC000158609626 188385486 /nfs/dbraw/zinc/38/54/86/188385486.db2.gz FBOCNVPDMFQLGS-AEFFLSMTSA-N 0 3 287.451 3.431 20 30 CGEDHN N#Cc1cccc(C2(NCCC(F)(F)F)CC2)c1 ZINC000271755631 191307856 /nfs/dbraw/zinc/30/78/56/191307856.db2.gz GWRFGAWRRUFDQL-UHFFFAOYSA-N 0 3 254.255 3.089 20 30 CGEDHN C#CCCN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000271798384 191333420 /nfs/dbraw/zinc/33/34/20/191333420.db2.gz OUOANIUSRCFIOY-LBPRGKRZSA-N 0 3 261.340 3.288 20 30 CGEDHN C#CCCN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000271798381 191333995 /nfs/dbraw/zinc/33/39/95/191333995.db2.gz OUOANIUSRCFIOY-GFCCVEGCSA-N 0 3 261.340 3.288 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2cn[nH]c21)c1cccc(C#N)c1 ZINC000271885164 191389817 /nfs/dbraw/zinc/38/98/17/191389817.db2.gz QMJZLSYTEUJDRN-IAQYHMDHSA-N 0 3 266.348 3.010 20 30 CGEDHN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1cccc(C#N)c1 ZINC000271844127 191362783 /nfs/dbraw/zinc/36/27/83/191362783.db2.gz HJUKTQRQXAQKRL-WDEREUQCSA-N 0 3 286.297 3.176 20 30 CGEDHN C[C@@H](NC[C@@](C)(O)c1cccs1)c1cccc(C#N)c1 ZINC000271852780 191369171 /nfs/dbraw/zinc/36/91/71/191369171.db2.gz IVANBXBJSPPFGA-MLGOLLRUSA-N 0 3 286.400 3.178 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@@H]2C(F)F)c(C(F)(F)F)c1 ZINC000352883607 283148843 /nfs/dbraw/zinc/14/88/43/283148843.db2.gz CMXZFPUIUSUHAR-ONGXEEELSA-N 0 3 290.235 3.320 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)OCO3)CC2 ZINC000353348434 283198927 /nfs/dbraw/zinc/19/89/27/283198927.db2.gz JRADJZFRAGEVIB-MRXNPFEDSA-N 0 3 292.338 3.064 20 30 CGEDHN N#Cc1csc(CNCCOC2CCCCC2)c1 ZINC000093492552 138346069 /nfs/dbraw/zinc/34/60/69/138346069.db2.gz RCROHRIYLCIUTB-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN CCC[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093704731 138347911 /nfs/dbraw/zinc/34/79/11/138347911.db2.gz ZKYHURRUUPCCQD-AWEZNQCLSA-N 0 3 282.391 3.218 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000177905415 189078612 /nfs/dbraw/zinc/07/86/12/189078612.db2.gz SHMVMWJYZVYFKS-ZDUSSCGKSA-N 0 3 292.398 3.135 20 30 CGEDHN C[C@@]1(CCCO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000439436598 238255549 /nfs/dbraw/zinc/25/55/49/238255549.db2.gz IMVJOHBRWNLKNP-INIZCTEOSA-N 0 3 292.810 3.339 20 30 CGEDHN CCN(CCC(C)(C)C#N)Cc1ccc(OC)cc1 ZINC000119601138 370689883 /nfs/dbraw/zinc/68/98/83/370689883.db2.gz YXEYIKPUNMJZRQ-UHFFFAOYSA-N 0 3 260.381 3.457 20 30 CGEDHN C=C(C)CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000119635868 370693400 /nfs/dbraw/zinc/69/34/00/370693400.db2.gz PASSFLNFHICCOI-UHFFFAOYSA-N 0 3 274.364 3.043 20 30 CGEDHN C=C(C)C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000120257180 370753680 /nfs/dbraw/zinc/75/36/80/370753680.db2.gz FPRZBVVTBFPYMY-AWEZNQCLSA-N 0 3 268.364 3.185 20 30 CGEDHN C=C(C)C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000120257180 370753681 /nfs/dbraw/zinc/75/36/81/370753681.db2.gz FPRZBVVTBFPYMY-AWEZNQCLSA-N 0 3 268.364 3.185 20 30 CGEDHN C[C@@]12CN(Cc3cccc(C#N)c3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451372895 240287989 /nfs/dbraw/zinc/28/79/89/240287989.db2.gz RFPQEQFIQQCZSB-UOUZQGKXSA-N 0 3 282.362 3.341 20 30 CGEDHN CC(C)[C@@H](CO)[C@H](NCc1ccc(F)cc1C#N)C(C)C ZINC000451615697 240336270 /nfs/dbraw/zinc/33/62/70/240336270.db2.gz QGVKXLBGQQTQBD-IAGOWNOFSA-N 0 3 292.398 3.076 20 30 CGEDHN C=CCCCN(C)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000121109567 370829180 /nfs/dbraw/zinc/82/91/80/370829180.db2.gz BBAUQAZQEWYDSQ-LLVKDONJSA-N 0 3 251.326 3.025 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(Cl)s1 ZINC000121268438 370846219 /nfs/dbraw/zinc/84/62/19/370846219.db2.gz LGDFGLJHUSFKIH-SNVBAGLBSA-N 0 3 259.802 3.160 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCC[C@H](SC)C1 ZINC000121518431 370868446 /nfs/dbraw/zinc/86/84/46/370868446.db2.gz SXEVAXSIGPDWEF-HNNXBMFYSA-N 0 3 290.432 3.284 20 30 CGEDHN C=CCN(C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000121602445 370876431 /nfs/dbraw/zinc/87/64/31/370876431.db2.gz FYOUOCWFISDQLF-UHFFFAOYSA-N 0 3 286.297 3.152 20 30 CGEDHN CCCC[C@H](CCC)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000482653511 243237044 /nfs/dbraw/zinc/23/70/44/243237044.db2.gz CTUDMBNLAAIQFU-HOTGVXAUSA-N 0 3 287.407 3.033 20 30 CGEDHN C=CCN(CCCn1ccnc1C)Cc1ccccc1F ZINC000124986172 370929299 /nfs/dbraw/zinc/92/92/99/370929299.db2.gz IJLJVEBCNPBPFA-UHFFFAOYSA-N 0 3 287.382 3.409 20 30 CGEDHN C=CCSCCNCc1cc(Cl)ccc1F ZINC000125955714 370942731 /nfs/dbraw/zinc/94/27/31/370942731.db2.gz RBHYRKRNAXFETF-UHFFFAOYSA-N 0 3 259.777 3.488 20 30 CGEDHN N#CC(C(=O)c1ccccc1OC(F)F)c1ccccn1 ZINC000041482579 369186813 /nfs/dbraw/zinc/18/68/13/369186813.db2.gz AYBNVCWWQTZIAJ-NSHDSACASA-N 0 3 288.253 3.173 20 30 CGEDHN C=CCCN(C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000276085889 193209234 /nfs/dbraw/zinc/20/92/34/193209234.db2.gz BZBLJHRDWDJNMV-UHFFFAOYSA-N 0 3 255.365 3.393 20 30 CGEDHN CC[C@@H](C)N1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000061851225 369608796 /nfs/dbraw/zinc/60/87/96/369608796.db2.gz CZXOFGWJDLLNEQ-GFCCVEGCSA-N 0 3 277.799 3.132 20 30 CGEDHN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000075593643 369914378 /nfs/dbraw/zinc/91/43/78/369914378.db2.gz QUKFTVPBJUBODI-UHFFFAOYSA-N 0 3 296.374 3.230 20 30 CGEDHN C=CCCCN(C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000076736702 369941945 /nfs/dbraw/zinc/94/19/45/369941945.db2.gz OIIWQCVXVOQIJR-CVEARBPZSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000090883934 370069374 /nfs/dbraw/zinc/06/93/74/370069374.db2.gz MYMNCEULZBRVLG-NSHDSACASA-N 0 3 255.308 3.208 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2nc(CC)sc21 ZINC000090884091 370070366 /nfs/dbraw/zinc/07/03/66/370070366.db2.gz GXDMIIMKOKDMPC-GFCCVEGCSA-N 0 3 280.437 3.265 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000090883754 370070438 /nfs/dbraw/zinc/07/04/38/370070438.db2.gz LGGRHVHIWSEXDD-ZDUSSCGKSA-N 0 3 280.387 3.135 20 30 CGEDHN C=CCC[C@@H](O)CN1CC=C(c2cccc(C)c2)CC1 ZINC000092822212 370103377 /nfs/dbraw/zinc/10/33/77/370103377.db2.gz KLVCQEHFGFLYGK-GOSISDBHSA-N 0 3 271.404 3.411 20 30 CGEDHN COc1ccccc1CCN(C)Cc1cc(C#N)cs1 ZINC000093105334 370111637 /nfs/dbraw/zinc/11/16/37/370111637.db2.gz DSFZKEMCGCEGMS-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN N#Cc1ccc(N2CCN(CC3CCCC3)CC2)c(F)c1 ZINC000514003975 245102748 /nfs/dbraw/zinc/10/27/48/245102748.db2.gz YHJRYIZKRVADLK-UHFFFAOYSA-N 0 3 287.382 3.010 20 30 CGEDHN Cc1ccc2[nH]c([C@H]3CCCN(CCCC#N)C3)nc2c1 ZINC000130788586 371059148 /nfs/dbraw/zinc/05/91/48/371059148.db2.gz SEHWYRJPDKCRRP-AWEZNQCLSA-N 0 3 282.391 3.355 20 30 CGEDHN Cc1ccc2nc([C@H]3CCCN(CCCC#N)C3)[nH]c2c1 ZINC000130788586 371059151 /nfs/dbraw/zinc/05/91/51/371059151.db2.gz SEHWYRJPDKCRRP-AWEZNQCLSA-N 0 3 282.391 3.355 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCN(CC2CC2)CC1 ZINC000135132447 371392844 /nfs/dbraw/zinc/39/28/44/371392844.db2.gz DHJDDTPSJJAMOH-UHFFFAOYSA-N 0 3 297.446 3.015 20 30 CGEDHN C[C@@H](CCNc1nc(Cl)c(C#N)s1)N1CCCCC1 ZINC000286950281 371579066 /nfs/dbraw/zinc/57/90/66/371579066.db2.gz RNMPERZHFWTHLR-JTQLQIEISA-N 0 3 298.843 3.345 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288112909 371732070 /nfs/dbraw/zinc/73/20/70/371732070.db2.gz HONGQCJDMAGGAM-RDJZCZTQSA-N 0 3 286.419 3.122 20 30 CGEDHN CN1CC[C@H](NCC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000289355217 371755098 /nfs/dbraw/zinc/75/50/98/371755098.db2.gz HVOCYIRTXSAZAO-PMACEKPBSA-N 0 3 290.410 3.073 20 30 CGEDHN C=C(C)CNCc1ccc(Br)c(F)c1 ZINC000153381265 371765694 /nfs/dbraw/zinc/76/56/94/371765694.db2.gz JJYPRBPRNCJIQI-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN CC[C@H](C)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000337323431 214006999 /nfs/dbraw/zinc/00/69/99/214006999.db2.gz SHEKRVYGJZXFKT-GJZGRUSLSA-N 0 3 271.408 3.035 20 30 CGEDHN Cc1cnn([C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000289739469 371806082 /nfs/dbraw/zinc/80/60/82/371806082.db2.gz DWCVANYPGYHNFP-RHSMWYFYSA-N 0 3 280.375 3.071 20 30 CGEDHN N#Cc1cc(CN[C@@H]2CCCC[C@H]2OC(F)F)ccc1F ZINC000337382519 214042762 /nfs/dbraw/zinc/04/27/62/214042762.db2.gz DPFHXIRRQKYLPT-ZIAGYGMSSA-N 0 3 298.308 3.337 20 30 CGEDHN N#Cc1cc(CN[C@@H]2CCCC[C@@H]2OC(F)F)ccc1F ZINC000337382517 214042855 /nfs/dbraw/zinc/04/28/55/214042855.db2.gz DPFHXIRRQKYLPT-KGLIPLIRSA-N 0 3 298.308 3.337 20 30 CGEDHN CC(C)SCCN(C)CCOCc1ccc(C#N)cc1 ZINC000344069916 217037869 /nfs/dbraw/zinc/03/78/69/217037869.db2.gz LQQGMPCTLLBSSD-UHFFFAOYSA-N 0 3 292.448 3.148 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000156146331 371964374 /nfs/dbraw/zinc/96/43/74/371964374.db2.gz XFJUOINKPHMDLZ-MRXNPFEDSA-N 0 3 288.435 3.322 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000290351770 371970275 /nfs/dbraw/zinc/97/02/75/371970275.db2.gz QERQFNILXIJNIW-LXIYXOSZSA-N 0 3 298.361 3.470 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@H](C3CC3)C2)c1 ZINC000344127797 217064075 /nfs/dbraw/zinc/06/40/75/217064075.db2.gz WOVXMVSZJNWBQA-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN C#Cc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000290934826 372078021 /nfs/dbraw/zinc/07/80/21/372078021.db2.gz PFXGBGIRJYJTGI-ROUUACIJSA-N 0 3 281.399 3.201 20 30 CGEDHN C=C(C)CCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425550593 372132489 /nfs/dbraw/zinc/13/24/89/372132489.db2.gz NAKKZAHGBHOKGJ-HUUCEWRRSA-N 0 3 265.784 3.414 20 30 CGEDHN C=CCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554074 372132604 /nfs/dbraw/zinc/13/26/04/372132604.db2.gz VFXLNHIKZOPJIV-ZIAGYGMSSA-N 0 3 251.757 3.024 20 30 CGEDHN C=CCC[C@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427973428 372177251 /nfs/dbraw/zinc/17/72/51/372177251.db2.gz QOULFZDWAJRXIE-ZDUSSCGKSA-N 0 3 258.365 3.102 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cc(C)cc(C)c2)n1 ZINC000160154764 372217841 /nfs/dbraw/zinc/21/78/41/372217841.db2.gz HMVJLGRQOQSWHF-CYBMUJFWSA-N 0 3 285.372 3.314 20 30 CGEDHN C#CCN(CCC1CCOCC1)Cc1ccc(F)cc1 ZINC000292621970 372198394 /nfs/dbraw/zinc/19/83/94/372198394.db2.gz NAACPVTZLQLEGG-UHFFFAOYSA-N 0 3 275.367 3.078 20 30 CGEDHN CC(C)[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000293189338 372321755 /nfs/dbraw/zinc/32/17/55/372321755.db2.gz QDHYRQNLGCKENB-RHSMWYFYSA-N 0 3 272.392 3.366 20 30 CGEDHN C[C@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000429580202 372375789 /nfs/dbraw/zinc/37/57/89/372375789.db2.gz TVTMAGWZNNIHPQ-DOTOQJQBSA-N 0 3 299.418 3.054 20 30 CGEDHN C=CCOCCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000293404126 372376031 /nfs/dbraw/zinc/37/60/31/372376031.db2.gz HSRXCOISPJGDRW-AWEZNQCLSA-N 0 3 258.365 3.144 20 30 CGEDHN C=CCOc1ccccc1CNCC1(CC#N)CC1 ZINC000430034225 372381572 /nfs/dbraw/zinc/38/15/72/372381572.db2.gz IZPSIPSCPDOSBT-UHFFFAOYSA-N 0 3 256.349 3.035 20 30 CGEDHN C=C(C)C[NH+]1CCC(NCc2cccc([O-])c2Cl)CC1 ZINC000293464110 372388181 /nfs/dbraw/zinc/38/81/81/372388181.db2.gz DIROJUPKPLRQDT-UHFFFAOYSA-N 0 3 294.826 3.176 20 30 CGEDHN CC1(C)[C@H](NCC2(C#N)CC2)C[C@H]1OCc1ccccc1 ZINC000430876772 372400205 /nfs/dbraw/zinc/40/02/05/372400205.db2.gz SKYVZHZABCDOKT-HZPDHXFCSA-N 0 3 284.403 3.264 20 30 CGEDHN C=CCOCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000294022817 372558436 /nfs/dbraw/zinc/55/84/36/372558436.db2.gz HPAYTGVHBCJZDW-HUUCEWRRSA-N 0 3 299.773 3.101 20 30 CGEDHN Cc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433118512 372581630 /nfs/dbraw/zinc/58/16/30/372581630.db2.gz XGLLJXDIMQAXMQ-KRWDZBQOSA-N 0 3 292.382 3.384 20 30 CGEDHN C[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433118992 372582141 /nfs/dbraw/zinc/58/21/41/372582141.db2.gz DQJRSTJFFTYDMU-HOCLYGCPSA-N 0 3 270.376 3.017 20 30 CGEDHN CC(C)N(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433349106 372596487 /nfs/dbraw/zinc/59/64/87/372596487.db2.gz YFZFPTLFTYYMDH-HNNXBMFYSA-N 0 3 270.376 3.158 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000433361331 372598506 /nfs/dbraw/zinc/59/85/06/372598506.db2.gz HENWRVMPCMRWKH-KURKYZTESA-N 0 3 296.414 3.408 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2cccc(CC)c2)CC1 ZINC000171741367 372820363 /nfs/dbraw/zinc/82/03/63/372820363.db2.gz AKXDPWUZFSYUBQ-UHFFFAOYSA-N 0 3 287.407 3.021 20 30 CGEDHN C=CCC[C@@H](NC(=O)CN(C)CCC)c1ccccc1 ZINC000435720734 372798032 /nfs/dbraw/zinc/79/80/32/372798032.db2.gz CZHWHWLOGMNWMD-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCCN(CCC)CC(=O)Nc1ccccc1C ZINC000172619107 372994330 /nfs/dbraw/zinc/99/43/30/372994330.db2.gz TVQBHIXFTKIVSA-UHFFFAOYSA-N 0 3 260.381 3.222 20 30 CGEDHN CCOc1ccc2c(c1)CCN(CCCSCC#N)C2 ZINC000441086930 372998189 /nfs/dbraw/zinc/99/81/89/372998189.db2.gz GVOKVGFCSBBKKD-UHFFFAOYSA-N 0 3 290.432 3.090 20 30 CGEDHN C#CCCN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296134737 373031812 /nfs/dbraw/zinc/03/18/12/373031812.db2.gz GFDVCLROXGEFRD-UHFFFAOYSA-N 0 3 288.338 3.365 20 30 CGEDHN CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442649601 373061308 /nfs/dbraw/zinc/06/13/08/373061308.db2.gz NDFYVNHIELSSJT-GOEBONIOSA-N 0 3 285.391 3.063 20 30 CGEDHN CO[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000442786485 373082304 /nfs/dbraw/zinc/08/23/04/373082304.db2.gz BUQGTVLZLOMTHG-NILFDRSVSA-N 0 3 278.783 3.309 20 30 CGEDHN CN(C)c1cc(CN[C@@H]2CC[C@@H](C#N)C2)c2ccccc2n1 ZINC000442790834 373083680 /nfs/dbraw/zinc/08/36/80/373083680.db2.gz MIEOQUYOMNGZGS-UKRRQHHQSA-N 0 3 294.402 3.083 20 30 CGEDHN CCCCCn1cc(CN[C@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000442829539 373099666 /nfs/dbraw/zinc/09/96/66/373099666.db2.gz PNGPHWQFIXXTSJ-HOCLYGCPSA-N 0 3 274.412 3.164 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1ccncc1OCC(F)F ZINC000442859945 373106830 /nfs/dbraw/zinc/10/68/30/373106830.db2.gz VYNZHSRCJKGPAC-NWDGAFQWSA-N 0 3 284.350 3.416 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OC2CCC2)C1 ZINC000442875381 373113711 /nfs/dbraw/zinc/11/37/11/373113711.db2.gz TUYTWEYTFCFRNW-DZGCQCFKSA-N 0 3 270.376 3.400 20 30 CGEDHN N#Cc1ccc(-c2nnc(CN3CCCCCCC3)o2)cc1 ZINC000173454929 373142465 /nfs/dbraw/zinc/14/24/65/373142465.db2.gz XCRCMIHPHPBCRA-UHFFFAOYSA-N 0 3 296.374 3.374 20 30 CGEDHN COc1ccc(CNC[C@@H](OC)c2ccccc2)cc1C#N ZINC000174297477 373285983 /nfs/dbraw/zinc/28/59/83/373285983.db2.gz PEKJGDGCIPMEKZ-GOSISDBHSA-N 0 3 296.370 3.044 20 30 CGEDHN CC(C)[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000446743578 373358014 /nfs/dbraw/zinc/35/80/14/373358014.db2.gz VIYBXNFCZBCCPO-OAHLLOKOSA-N 0 3 296.374 3.086 20 30 CGEDHN Cc1cscc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000175084594 373406209 /nfs/dbraw/zinc/40/62/09/373406209.db2.gz RHVPJNRQHHLVLT-JTQLQIEISA-N 0 3 281.340 3.423 20 30 CGEDHN Cc1cscc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000175084594 373406218 /nfs/dbraw/zinc/40/62/18/373406218.db2.gz RHVPJNRQHHLVLT-JTQLQIEISA-N 0 3 281.340 3.423 20 30 CGEDHN C=CCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000175142909 373416237 /nfs/dbraw/zinc/41/62/37/373416237.db2.gz FTKTVZLBTVHVSR-UHFFFAOYSA-N 0 3 286.419 3.124 20 30 CGEDHN N#Cc1cccc(C2(NCC[C@@H](O)c3ccccc3)CC2)c1 ZINC000298985257 373443099 /nfs/dbraw/zinc/44/30/99/373443099.db2.gz PPFMHOWKOSHDKP-GOSISDBHSA-N 0 3 292.382 3.261 20 30 CGEDHN CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(C)C#N ZINC000447864060 373510335 /nfs/dbraw/zinc/51/03/35/373510335.db2.gz CLOUXCYDUROTOR-RISCZKNCSA-N 0 3 262.328 3.141 20 30 CGEDHN C=CCCCC[C@H](C)NCc1nncn1-c1ccccc1 ZINC000449074936 373659181 /nfs/dbraw/zinc/65/91/81/373659181.db2.gz LSVVZPXTQJVVIH-HNNXBMFYSA-N 0 3 284.407 3.492 20 30 CGEDHN CC[C@H](C)c1nnc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000449284872 373677649 /nfs/dbraw/zinc/67/76/49/373677649.db2.gz PMNLZSQJLRHVPF-BEBLISSESA-N 0 3 289.427 3.441 20 30 CGEDHN CC[C@H](C)c1nnc([C@@H](C)NC2CCC(C)(C#N)CC2)[nH]1 ZINC000449284872 373677656 /nfs/dbraw/zinc/67/76/56/373677656.db2.gz PMNLZSQJLRHVPF-BEBLISSESA-N 0 3 289.427 3.441 20 30 CGEDHN C=CCCCC[C@H](C)NCc1ncccc1N(C)C ZINC000449338479 373681689 /nfs/dbraw/zinc/68/16/89/373681689.db2.gz SBNBFIKPURQECI-AWEZNQCLSA-N 0 3 261.413 3.372 20 30 CGEDHN CO[C@@](C)(CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000449482942 373772580 /nfs/dbraw/zinc/77/25/80/373772580.db2.gz FAPYBFGHTSZLRP-SFHVURJKSA-N 0 3 298.361 3.349 20 30 CGEDHN C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@@H]1C ZINC000177888712 373722695 /nfs/dbraw/zinc/72/26/95/373722695.db2.gz WBKNJAVYZGHNLK-CHWSQXEVSA-N 0 3 253.349 3.041 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C(C)(C)C)s1 ZINC000449549117 373829874 /nfs/dbraw/zinc/82/98/74/373829874.db2.gz UYTYCPODACQSRY-OLZOCXBDSA-N 0 3 280.437 3.264 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OC)C(C)(C)C2)c1 ZINC000449502926 373800934 /nfs/dbraw/zinc/80/09/34/373800934.db2.gz SGHDKUXFCQSGTL-QGZVFWFLSA-N 0 3 289.419 3.498 20 30 CGEDHN COc1ccc(F)cc1[C@@H](C)NCCCSCC#N ZINC000179958753 373946968 /nfs/dbraw/zinc/94/69/68/373946968.db2.gz FXXCIVQIBIBQDA-LLVKDONJSA-N 0 3 282.384 3.132 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCCCC1 ZINC000450071040 373986823 /nfs/dbraw/zinc/98/68/23/373986823.db2.gz ASNGYQXMUAIBQG-GJZGRUSLSA-N 0 3 290.451 3.254 20 30 CGEDHN CCC[C@H]1CN(CCCC#N)CCN1Cc1ccccc1 ZINC000180274086 373987199 /nfs/dbraw/zinc/98/71/99/373987199.db2.gz IUAUGXSDIJXVEM-SFHVURJKSA-N 0 3 285.435 3.277 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)c1ccnc(CC)c1 ZINC000450524983 374158511 /nfs/dbraw/zinc/15/85/11/374158511.db2.gz DQIDQDVQELCEFG-UHFFFAOYSA-N 0 3 286.375 3.312 20 30 CGEDHN C[C@H](NCCCC#N)c1cccc(N2CCCC2)c1 ZINC000181889216 374187596 /nfs/dbraw/zinc/18/75/96/374187596.db2.gz DSISNIDRTRJYBG-AWEZNQCLSA-N 0 3 257.381 3.241 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182578629 374291341 /nfs/dbraw/zinc/29/13/41/374291341.db2.gz MRDPVXLMJYERNO-MRXNPFEDSA-N 0 3 292.810 3.073 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@H](C)C1CCC1 ZINC000325641617 374357810 /nfs/dbraw/zinc/35/78/10/374357810.db2.gz ZXHCESMXWJPNKZ-GFCCVEGCSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCOc1cccc(CN(C)[C@@H](C)CC(=O)OCC)c1 ZINC000183186739 374381313 /nfs/dbraw/zinc/38/13/13/374381313.db2.gz KWVCZQAVXRCOOX-AWEZNQCLSA-N 0 3 291.391 3.025 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000334360929 374684059 /nfs/dbraw/zinc/68/40/59/374684059.db2.gz IJBQHHPPHPBZEO-LLVKDONJSA-N 0 3 299.349 3.173 20 30 CGEDHN CC(C)[C@H](CCO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000460365052 374824652 /nfs/dbraw/zinc/82/46/52/374824652.db2.gz NFYYOIJYSJECDM-HNNXBMFYSA-N 0 3 299.336 3.054 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000186696260 374900772 /nfs/dbraw/zinc/90/07/72/374900772.db2.gz YXGZVWMUFCKNAG-KOLCDFICSA-N 0 3 257.736 3.067 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CCCC1 ZINC000334635232 374927374 /nfs/dbraw/zinc/92/73/74/374927374.db2.gz LARWCAWMDIJKBJ-KRWDZBQOSA-N 0 3 290.451 3.067 20 30 CGEDHN N#C[C@@H](c1ccccc1)N1CCN(CCC2CCCC2)CC1 ZINC000471154785 375003372 /nfs/dbraw/zinc/00/33/72/375003372.db2.gz WOYZMNMOAHACEM-IBGZPJMESA-N 0 3 297.446 3.449 20 30 CGEDHN C=C(C)[C@H](NC[C@H](C)OC)c1ccc(F)c(F)c1 ZINC000187790339 375095431 /nfs/dbraw/zinc/09/54/31/375095431.db2.gz RWYPRILSHXHCLT-HZMBPMFUSA-N 0 3 255.308 3.207 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474864673 375128608 /nfs/dbraw/zinc/12/86/08/375128608.db2.gz PFLXYEGGOPFPBE-IJLUTSLNSA-N 0 3 278.783 3.450 20 30 CGEDHN Cc1cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)ccc1C#N ZINC000335110063 375139787 /nfs/dbraw/zinc/13/97/87/375139787.db2.gz YRLDCWDISAWQCE-SFHVURJKSA-N 0 3 296.414 3.258 20 30 CGEDHN CC#CCN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481393996 375164230 /nfs/dbraw/zinc/16/42/30/375164230.db2.gz TXLPYIFBAWVNTI-FZMZJTMJSA-N 0 3 251.757 3.029 20 30 CGEDHN C=CCCCCCN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483349266 375179807 /nfs/dbraw/zinc/17/98/07/375179807.db2.gz CVJRHWLGICIOQR-QGZVFWFLSA-N 0 3 281.440 3.393 20 30 CGEDHN C[C@@H](NC[C@H]1CCSC1)c1ccc(C#N)cc1F ZINC000487548508 375251209 /nfs/dbraw/zinc/25/12/09/375251209.db2.gz CNZDDJJGUURFDU-ZYHUDNBSSA-N 0 3 264.369 3.101 20 30 CGEDHN CCC[C@@H](CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000486065150 375194036 /nfs/dbraw/zinc/19/40/36/375194036.db2.gz SCJUUKLVGDVMHN-HZPDHXFCSA-N 0 3 272.392 3.454 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000487908076 375283415 /nfs/dbraw/zinc/28/34/15/375283415.db2.gz LBPGJYLVYPKWFS-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN CCc1ccc([C@H]2CCCCCN2C(=O)C(C)C#N)o1 ZINC000335265015 375258130 /nfs/dbraw/zinc/25/81/30/375258130.db2.gz UWBNPOHCGWKONX-GXTWGEPZSA-N 0 3 274.364 3.445 20 30 CGEDHN C=CC[C@@H](C(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000189278064 375354088 /nfs/dbraw/zinc/35/40/88/375354088.db2.gz XHXZOIDDBMJZEG-GOSISDBHSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccsc2Cl)CC1 ZINC000189326711 375367533 /nfs/dbraw/zinc/36/75/33/375367533.db2.gz VKOBAQBAAOEHPI-UHFFFAOYSA-N 0 3 299.827 3.173 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(OC)cc1 ZINC000189584520 375417893 /nfs/dbraw/zinc/41/78/93/375417893.db2.gz GTRBAGHRPMALCJ-QGZVFWFLSA-N 0 3 283.375 3.146 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2nccc3ccccc32)C1 ZINC000335801470 375442609 /nfs/dbraw/zinc/44/26/09/375442609.db2.gz GRDIDDVBRAOKIA-TZMCWYRMSA-N 0 3 251.333 3.017 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H]1CCSC1 ZINC000495077446 375498350 /nfs/dbraw/zinc/49/83/50/375498350.db2.gz FEGYZYKOGMXHDV-GFCCVEGCSA-N 0 3 253.436 3.489 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)NCCN1CCCC[C@H]1CC ZINC000495231313 375499492 /nfs/dbraw/zinc/49/94/92/375499492.db2.gz OLGYKGLAOBRZQG-HZPDHXFCSA-N 0 3 293.455 3.001 20 30 CGEDHN C=C(C)CN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496872092 375561682 /nfs/dbraw/zinc/56/16/82/375561682.db2.gz CPRJUJKLQGNAAB-ZDUSSCGKSA-N 0 3 274.364 3.212 20 30 CGEDHN CCN1C[C@H](C)N(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000498939479 375628427 /nfs/dbraw/zinc/62/84/27/375628427.db2.gz VPRAMVWAJSTOBV-GJZGRUSLSA-N 0 3 290.838 3.106 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000335998447 375604715 /nfs/dbraw/zinc/60/47/15/375604715.db2.gz GINVTAFPJZOJLS-MFKMUULPSA-N 0 3 262.740 3.163 20 30 CGEDHN CC[C@@H]1Cc2ccccc2CN1Cc1cc(C#N)n(C)c1 ZINC000191501607 375635550 /nfs/dbraw/zinc/63/55/50/375635550.db2.gz SMWFPDQSNGHGBQ-QGZVFWFLSA-N 0 3 279.387 3.234 20 30 CGEDHN C[C@@H]1CCc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000191509774 375637267 /nfs/dbraw/zinc/63/72/67/375637267.db2.gz FFNGKFFTFBXTGF-ACJLOTCBSA-N 0 3 279.387 3.310 20 30 CGEDHN C[C@H](NCC#Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000192186139 375708447 /nfs/dbraw/zinc/70/84/47/375708447.db2.gz SYMRJQCWZZSHIM-MAUKXSAKSA-N 0 3 277.367 3.192 20 30 CGEDHN Cc1c([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cnn1C ZINC000193025581 375816462 /nfs/dbraw/zinc/81/64/62/375816462.db2.gz PMEKIUQTWMHBAT-OLZOCXBDSA-N 0 3 298.390 3.043 20 30 CGEDHN CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000528508537 375903847 /nfs/dbraw/zinc/90/38/47/375903847.db2.gz ZZLOKQKMZLRPFT-JSGCOSHPSA-N 0 3 290.432 3.186 20 30 CGEDHN C=CCN1CC[C@@H](N2CCCC[C@@H]2CCC(C)C)C1=O ZINC000337176079 376114875 /nfs/dbraw/zinc/11/48/75/376114875.db2.gz IMKZWLLYFLHJTL-HZPDHXFCSA-N 0 3 278.440 3.064 20 30 CGEDHN CC[C@@H](NCCCC1(C#N)CCOCC1)c1nccs1 ZINC000337214578 376143870 /nfs/dbraw/zinc/14/38/70/376143870.db2.gz XOTVWCFBCBACCH-CYBMUJFWSA-N 0 3 293.436 3.284 20 30 CGEDHN C[C@H](NCC[S@@](=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000338351926 376345198 /nfs/dbraw/zinc/34/51/98/376345198.db2.gz DEZFAOYVCAEYAY-LHSJRXKWSA-N 0 3 298.411 3.017 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(OCCC)c(OC)c1 ZINC000539253562 376301443 /nfs/dbraw/zinc/30/14/43/376301443.db2.gz XIIGNHVTDOLULT-CYBMUJFWSA-N 0 3 261.365 3.158 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000539388790 376306463 /nfs/dbraw/zinc/30/64/63/376306463.db2.gz SFCSYBLNBVIBPA-HZPDHXFCSA-N 0 3 295.471 3.151 20 30 CGEDHN N#CCC1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000541022907 376414449 /nfs/dbraw/zinc/41/44/49/376414449.db2.gz IKIVMIRWHYFENQ-UHFFFAOYSA-N 0 3 276.355 3.220 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CC=CCC1 ZINC000540560320 376381011 /nfs/dbraw/zinc/38/10/11/376381011.db2.gz JSMUFYVLOQMCDS-IRXDYDNUSA-N 0 3 282.387 3.231 20 30 CGEDHN Cc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1 ZINC000540595538 376384511 /nfs/dbraw/zinc/38/45/11/376384511.db2.gz XVUOUGCJOKZCLP-RDTXWAMCSA-N 0 3 280.371 3.251 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C)[C@@H]1C ZINC000227269875 376385912 /nfs/dbraw/zinc/38/59/12/376385912.db2.gz HZZGQQGAAFHHTR-STQMWFEESA-N 0 3 258.365 3.187 20 30 CGEDHN COc1cccc([C@H](C)N2CCC(CC#N)CC2)c1 ZINC000542878684 376588340 /nfs/dbraw/zinc/58/83/40/376588340.db2.gz HAWWFSKFYZVYGM-ZDUSSCGKSA-N 0 3 258.365 3.382 20 30 CGEDHN CC[C@H]1CO[C@@H](C)CN1CCCCC(C)(C)C#N ZINC000234052817 376610836 /nfs/dbraw/zinc/61/08/36/376610836.db2.gz MTPQIBIJZWNBHG-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN COc1cc(CN2CCC[C@H](C)[C@@H]2C)ccc1C#N ZINC000234978836 376627632 /nfs/dbraw/zinc/62/76/32/376627632.db2.gz DPTBLVKRDZLCJP-STQMWFEESA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCOCCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000339135742 376701731 /nfs/dbraw/zinc/70/17/31/376701731.db2.gz KLCMCYJWTWDBFB-OAHLLOKOSA-N 0 3 283.799 3.162 20 30 CGEDHN N#CCCCCNCc1ccccc1OC(F)F ZINC000237839661 376762469 /nfs/dbraw/zinc/76/24/69/376762469.db2.gz NPRFBTFRYJXTTI-UHFFFAOYSA-N 0 3 254.280 3.071 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@@H](CC3CC3)C2)c1 ZINC000339673277 376799239 /nfs/dbraw/zinc/79/92/39/376799239.db2.gz GAXLYMAZKDVDHS-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN Cc1cc(CN2CCC[C@](CO)(C(C)C)C2)ccc1C#N ZINC000339712360 376820006 /nfs/dbraw/zinc/82/00/06/376820006.db2.gz QSOTWJJOHXADQW-SFHVURJKSA-N 0 3 286.419 3.097 20 30 CGEDHN CCc1ccc([C@@H](CNc2cc(C#N)ccn2)N(C)C)cc1 ZINC000339970390 376885161 /nfs/dbraw/zinc/88/51/61/376885161.db2.gz GHJYUTDMJDJOCF-QGZVFWFLSA-N 0 3 294.402 3.230 20 30 CGEDHN N#Cc1cccc(C2(NCc3ccc4[nH]cnc4c3)CC2)c1 ZINC000560069600 377118247 /nfs/dbraw/zinc/11/82/47/377118247.db2.gz ASUMUWVZKOBFCT-UHFFFAOYSA-N 0 3 288.354 3.213 20 30 CGEDHN N#Cc1cccc(C2(NCc3ccc4nc[nH]c4c3)CC2)c1 ZINC000560069600 377118256 /nfs/dbraw/zinc/11/82/56/377118256.db2.gz ASUMUWVZKOBFCT-UHFFFAOYSA-N 0 3 288.354 3.213 20 30 CGEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]21 ZINC000248450531 377321530 /nfs/dbraw/zinc/32/15/30/377321530.db2.gz YBIFWPZEGCXGKC-XOKHGSTOSA-N 0 3 297.402 3.007 20 30 CGEDHN C#CCCOc1ccc(CNCc2ccc(C)nc2)cc1 ZINC000264983919 190149390 /nfs/dbraw/zinc/14/93/90/190149390.db2.gz VGFHIIUPYWCCHZ-UHFFFAOYSA-N 0 3 280.371 3.082 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000563786022 377472469 /nfs/dbraw/zinc/47/24/69/377472469.db2.gz QFOGPKGKOJXWEL-FZZIBODNSA-N 0 3 269.747 3.473 20 30 CGEDHN C=CCCCCN1CCN(C)CC12CCCCC2 ZINC000564288795 377475441 /nfs/dbraw/zinc/47/54/41/377475441.db2.gz UYOVWLMQPVYWTJ-UHFFFAOYSA-N 0 3 250.430 3.293 20 30 CGEDHN CCOC[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249262636 377482917 /nfs/dbraw/zinc/48/29/17/377482917.db2.gz HZZKECYEMZANQL-GDBMZVCRSA-N 0 3 272.392 3.368 20 30 CGEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000093492117 249037751 /nfs/dbraw/zinc/03/77/51/249037751.db2.gz QDCTVSVSWKQZHE-MRXNPFEDSA-N 0 3 285.416 3.012 20 30 CGEDHN CCC[C@H](C)[C@@H](CO)NCC#Cc1ccccc1Cl ZINC000567992746 377512975 /nfs/dbraw/zinc/51/29/75/377512975.db2.gz XRYWCDAKDPVUNM-XJKSGUPXSA-N 0 3 279.811 3.078 20 30 CGEDHN COC1([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)CCC1 ZINC000414312523 249123715 /nfs/dbraw/zinc/12/37/15/249123715.db2.gz WQJUMZFLIOYLCI-NWDGAFQWSA-N 0 3 276.355 3.306 20 30 CGEDHN CCC[C@H](C)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539408937 288613756 /nfs/dbraw/zinc/61/37/56/288613756.db2.gz QFSRLWDJTCXCHR-INIZCTEOSA-N 0 3 285.435 3.112 20 30 CGEDHN C=C(C)CN1CCC(Nc2cc(C)nc(C3CC3)n2)CC1 ZINC000265318826 190174403 /nfs/dbraw/zinc/17/44/03/190174403.db2.gz DMBARXWIXUDKGM-UHFFFAOYSA-N 0 3 286.423 3.115 20 30 CGEDHN Cc1noc([C@@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000265475183 190185016 /nfs/dbraw/zinc/18/50/16/190185016.db2.gz JYNWDHUMLHGUEE-BLLLJJGKSA-N 0 3 296.374 3.190 20 30 CGEDHN COc1cc([C@H](C)NCCCC#N)ccc1OC(C)C ZINC000341659302 377612695 /nfs/dbraw/zinc/61/26/95/377612695.db2.gz NNRIOWZJXYKDJW-ZDUSSCGKSA-N 0 3 276.380 3.437 20 30 CGEDHN Cc1ccc([C@@H](CC(=O)OC(C)C)NCCCC#N)cc1 ZINC000342482665 377650648 /nfs/dbraw/zinc/65/06/48/377650648.db2.gz QLRPLZGTSZVLCK-MRXNPFEDSA-N 0 3 288.391 3.271 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2csc(Cl)c2)nc(C)n1 ZINC000342696075 377741063 /nfs/dbraw/zinc/74/10/63/377741063.db2.gz AEPBRTOMJPREGH-SNVBAGLBSA-N 0 3 291.763 3.298 20 30 CGEDHN C=CCC(CC=C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000343613587 378041796 /nfs/dbraw/zinc/04/17/96/378041796.db2.gz OGAPUUQEPZVSRP-GASCZTMLSA-N 0 3 278.440 3.134 20 30 CGEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC000343674862 378063190 /nfs/dbraw/zinc/06/31/90/378063190.db2.gz ODWKHERCLPYYLX-GDBMZVCRSA-N 0 3 298.386 3.190 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](c1ncccc1C)C(C)C ZINC000268526902 378071007 /nfs/dbraw/zinc/07/10/07/378071007.db2.gz HJXKQPZQMDUHAB-HUUCEWRRSA-N 0 3 262.397 3.004 20 30 CGEDHN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1CN(C)C ZINC000579310992 378147797 /nfs/dbraw/zinc/14/77/97/378147797.db2.gz BNMVKUGPGYOPLL-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN COC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000344002262 378150745 /nfs/dbraw/zinc/15/07/45/378150745.db2.gz XFCDHYWYTGOMLC-CQDKDKBSSA-N 0 3 278.783 3.309 20 30 CGEDHN CCN1C[C@H](C)N(c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000345161090 378209026 /nfs/dbraw/zinc/20/90/26/378209026.db2.gz JOOWTYOFUCOGSO-NEPJUHHUSA-N 0 3 277.799 3.131 20 30 CGEDHN C=C(C)[C@@H](CC(=O)Nc1cccc(CN(C)C)c1)OCC ZINC000269998499 378292162 /nfs/dbraw/zinc/29/21/62/378292162.db2.gz AGLCFXWSLQWCRA-MRXNPFEDSA-N 0 3 290.407 3.058 20 30 CGEDHN CN(CCSc1cccnc1C#N)Cc1ccccc1 ZINC000583641559 378336588 /nfs/dbraw/zinc/33/65/88/378336588.db2.gz UNUMWMOEXMIVCH-UHFFFAOYSA-N 0 3 283.400 3.177 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000583721674 378341530 /nfs/dbraw/zinc/34/15/30/378341530.db2.gz JSHKXMSXNSQEJS-HOTGVXAUSA-N 0 3 280.456 3.360 20 30 CGEDHN COC(C)(C)CN(C)CCC1(C#N)CCCCC1 ZINC000582227705 378294625 /nfs/dbraw/zinc/29/46/25/378294625.db2.gz HXOFEYYLDRUWKV-UHFFFAOYSA-N 0 3 252.402 3.207 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(O)c1 ZINC000618742258 378410497 /nfs/dbraw/zinc/41/04/97/378410497.db2.gz VBVLEFPUSVTTIQ-QGZVFWFLSA-N 0 3 264.328 3.041 20 30 CGEDHN C#CCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000270677353 378386442 /nfs/dbraw/zinc/38/64/42/378386442.db2.gz YBCBLFYZBFNJAO-ZDUSSCGKSA-N 0 3 274.433 3.225 20 30 CGEDHN CCC(CC)CN(CCC#N)CCCn1ccnc1C ZINC000270712112 378391743 /nfs/dbraw/zinc/39/17/43/378391743.db2.gz ZVTWUNAMNHIYAI-UHFFFAOYSA-N 0 3 276.428 3.234 20 30 CGEDHN Cc1noc(C)c1CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271939037 378523859 /nfs/dbraw/zinc/52/38/59/378523859.db2.gz LCYVZMOQJAXBRG-JTQLQIEISA-N 0 3 287.338 3.196 20 30 CGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271443944 378493934 /nfs/dbraw/zinc/49/39/34/378493934.db2.gz CEIOTWUGYYYJCO-IUODEOHRSA-N 0 3 296.374 3.371 20 30 CGEDHN COC1(C)CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000271729903 378503215 /nfs/dbraw/zinc/50/32/15/378503215.db2.gz MSTVMIBCAAUFCE-UHFFFAOYSA-N 0 3 286.419 3.489 20 30 CGEDHN Cc1cccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271915410 378515062 /nfs/dbraw/zinc/51/50/62/378515062.db2.gz BZLNOKAREQIOBZ-UGSOOPFHSA-N 0 3 298.361 3.390 20 30 CGEDHN CCCC[C@H](COC)NC1(c2cccc(C#N)c2)CC1 ZINC000272206904 378585339 /nfs/dbraw/zinc/58/53/39/378585339.db2.gz KBHJSVLQXVTQGE-MRXNPFEDSA-N 0 3 272.392 3.342 20 30 CGEDHN C[C@@H](NC[C@H](CO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271978898 378535960 /nfs/dbraw/zinc/53/59/60/378535960.db2.gz WMWQGXMYJALFBX-CXAGYDPISA-N 0 3 298.361 3.124 20 30 CGEDHN C=C[C@H](CC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000272677149 378687253 /nfs/dbraw/zinc/68/72/53/378687253.db2.gz KDBBPNARJWHXGS-HZPDHXFCSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(NC(C)=O)cc1 ZINC000272706335 378692027 /nfs/dbraw/zinc/69/20/27/378692027.db2.gz ZSAVYUZDVHAMBZ-UHFFFAOYSA-N 0 3 298.386 3.469 20 30 CGEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)CCCC#N ZINC000346612808 378646161 /nfs/dbraw/zinc/64/61/61/378646161.db2.gz QZOJWJAIMZBHSP-INIZCTEOSA-N 0 3 258.365 3.308 20 30 CGEDHN CCOCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347960663 378740581 /nfs/dbraw/zinc/74/05/81/378740581.db2.gz QRFMZRAIGORROS-UHFFFAOYSA-N 0 3 270.376 3.074 20 30 CGEDHN CCC1(CC)CN(Cc2cc(C#N)n(C)c2)CCS1 ZINC000276772443 378994302 /nfs/dbraw/zinc/99/43/02/378994302.db2.gz OSOCQIJHVVVXSF-UHFFFAOYSA-N 0 3 277.437 3.004 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cc(C#N)cs1 ZINC000348548283 378989225 /nfs/dbraw/zinc/98/92/25/378989225.db2.gz QKSUHQZNSNEUBC-OCCSQVGLSA-N 0 3 278.421 3.135 20 30 CGEDHN Cn1cc(CN2CCC3(CCCC3)CC2)cc1C#N ZINC000276786006 378998073 /nfs/dbraw/zinc/99/80/73/378998073.db2.gz RJYKGBFGMQVIJV-UHFFFAOYSA-N 0 3 257.381 3.053 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278628967 194075107 /nfs/dbraw/zinc/07/51/07/194075107.db2.gz GHYSNPACSHITBY-CYBMUJFWSA-N 0 3 268.282 3.333 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)s1 ZINC000370718421 379060810 /nfs/dbraw/zinc/06/08/10/379060810.db2.gz CHFTZGFBDZKRJJ-AWEZNQCLSA-N 0 3 283.400 3.079 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1snnc1C ZINC000639265898 379212444 /nfs/dbraw/zinc/21/24/44/379212444.db2.gz MLLQXVJJZXFIQP-CQSZACIVSA-N 0 3 273.405 3.124 20 30 CGEDHN CC[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000278235726 379323926 /nfs/dbraw/zinc/32/39/26/379323926.db2.gz KPJGTYWVKSWCQQ-ROUUACIJSA-N 0 3 298.361 3.472 20 30 CGEDHN CC[C@H](NC[C@H](c1ccco1)N(C)C)c1ccc(C#N)cc1 ZINC000278289914 379336608 /nfs/dbraw/zinc/33/66/08/379336608.db2.gz QYGKXWPTSLJLJS-DLBZAZTESA-N 0 3 297.402 3.495 20 30 CGEDHN Cn1cc(CN2CC[C@@](C)(c3ccc(F)cc3)C2)cc1C#N ZINC000373609636 379307555 /nfs/dbraw/zinc/30/75/55/379307555.db2.gz LSXSXXQCYNULFX-GOSISDBHSA-N 0 3 297.377 3.199 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](CC)c1cc(Cl)ccc1OC ZINC000349758903 379370451 /nfs/dbraw/zinc/37/04/51/379370451.db2.gz OATRGMBLORAURZ-JSGCOSHPSA-N 0 3 283.799 3.326 20 30 CGEDHN CC(C)Oc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000349820402 379401588 /nfs/dbraw/zinc/40/15/88/379401588.db2.gz GDVYROCMALFSPM-ZFWWWQNUSA-N 0 3 258.365 3.256 20 30 CGEDHN CC(C)(C#N)CCCN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375962776 379516703 /nfs/dbraw/zinc/51/67/03/379516703.db2.gz PDRQJRODVHOBJR-QGZVFWFLSA-N 0 3 290.382 3.049 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2ccc(C#N)s2)CC1 ZINC000280196632 379636590 /nfs/dbraw/zinc/63/65/90/379636590.db2.gz HSIDHIRYBYUDFN-CQSZACIVSA-N 0 3 264.394 3.011 20 30 CGEDHN Cc1cccc2oc(CCNCc3ccc(C#N)s3)nc21 ZINC000267148911 190306964 /nfs/dbraw/zinc/30/69/64/190306964.db2.gz BTMKXAWLWKTQBF-UHFFFAOYSA-N 0 3 297.383 3.402 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000280910366 379809641 /nfs/dbraw/zinc/80/96/41/379809641.db2.gz RZURABQQGAEXCJ-DCGLDWPTSA-N 0 3 291.391 3.033 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000280691469 379764252 /nfs/dbraw/zinc/76/42/52/379764252.db2.gz BFTBWEQSFXNIND-ZQIUZPCESA-N 0 3 275.392 3.332 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccccc1SC ZINC000281674459 379843495 /nfs/dbraw/zinc/84/34/95/379843495.db2.gz LVQOVPOAFCVYHQ-QWHCGFSZSA-N 0 3 265.422 3.386 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000378398188 379818522 /nfs/dbraw/zinc/81/85/22/379818522.db2.gz QDVWOTXXGIXGSL-CVEARBPZSA-N 0 3 284.403 3.197 20 30 CGEDHN N#CC1(F)CCN(CCCCc2ccccc2)CC1 ZINC000352466903 379827749 /nfs/dbraw/zinc/82/77/49/379827749.db2.gz HMWUDETZYUGADZ-UHFFFAOYSA-N 0 3 260.356 3.337 20 30 CGEDHN C=CCCC[C@H](C)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000641233923 379968769 /nfs/dbraw/zinc/96/87/69/379968769.db2.gz OQVZYFNYXUHYBL-AAEUAGOBSA-N 0 3 250.390 3.241 20 30 CGEDHN CC[C@H](CNCc1ccc(C#N)o1)CC(F)(F)F ZINC000402595031 379969475 /nfs/dbraw/zinc/96/94/75/379969475.db2.gz LPLIWSBMHVRNII-VIFPVBQESA-N 0 3 260.259 3.219 20 30 CGEDHN CCC1CCC(CNCc2nc(C#N)cs2)CC1 ZINC000352820529 379981279 /nfs/dbraw/zinc/98/12/79/379981279.db2.gz DDSPTCGZOFQMRF-UHFFFAOYSA-N 0 3 263.410 3.321 20 30 CGEDHN CC(C)O[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000404711702 379982407 /nfs/dbraw/zinc/98/24/07/379982407.db2.gz RKRQZSIJSNRIAB-KRWDZBQOSA-N 0 3 272.392 3.142 20 30 CGEDHN C=C(C)COCCNCc1cn(CC)nc1-c1ccccc1 ZINC000641737645 380068993 /nfs/dbraw/zinc/06/89/93/380068993.db2.gz ZGWOLEJMFOOPBC-UHFFFAOYSA-N 0 3 299.418 3.252 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](COC(F)F)C1 ZINC000353027196 380081423 /nfs/dbraw/zinc/08/14/23/380081423.db2.gz MKVYSBWFUMKJEG-WCQYABFASA-N 0 3 280.318 3.180 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cc(C)ccc1OC(F)F ZINC000641760298 380083827 /nfs/dbraw/zinc/08/38/27/380083827.db2.gz OTJCHOHONYLRMR-ZDUSSCGKSA-N 0 3 285.334 3.013 20 30 CGEDHN CCCN(CCN1CCCCC1)Cc1ccccc1C#N ZINC000353150748 380141642 /nfs/dbraw/zinc/14/16/42/380141642.db2.gz TXAKGBPCQLKCLO-UHFFFAOYSA-N 0 3 285.435 3.256 20 30 CGEDHN COc1ccc([C@@H](C)NCC2(CC#N)CC2)c(C)c1 ZINC000414141720 380193637 /nfs/dbraw/zinc/19/36/37/380193637.db2.gz KJTWDCQTPSHPID-CYBMUJFWSA-N 0 3 258.365 3.348 20 30 CGEDHN COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353390436 380206549 /nfs/dbraw/zinc/20/65/49/380206549.db2.gz UMXBUSVFGFXITH-GOSISDBHSA-N 0 3 278.355 3.344 20 30 CGEDHN C=C(C)[C@@H](NCCC1(O)CCC1)c1ccc(F)c(F)c1 ZINC000411559851 380152044 /nfs/dbraw/zinc/15/20/44/380152044.db2.gz WSHRXCVGLRMIMW-OAHLLOKOSA-N 0 3 281.346 3.477 20 30 CGEDHN C=CCC[C@H](NCC[C@@H](C)[S@](C)=O)c1ccco1 ZINC000353612502 380215739 /nfs/dbraw/zinc/21/57/39/380215739.db2.gz JONDUGJJMRQTCP-VBHSOAQHSA-N 0 3 269.410 3.034 20 30 CGEDHN Cc1c(CN[C@@H](CCCC#N)c2ccccc2)cnn1C ZINC000353916919 380233815 /nfs/dbraw/zinc/23/38/15/380233815.db2.gz RXTWJINWJKUXBR-KRWDZBQOSA-N 0 3 282.391 3.253 20 30 CGEDHN C=CCc1cc(CN[C@@H]2C[C@H]2c2ccco2)cc(OC)c1O ZINC000414579544 380327558 /nfs/dbraw/zinc/32/75/58/380327558.db2.gz JDGKBEFZLDNGLB-HUUCEWRRSA-N 0 3 299.370 3.368 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cc(C)n(C)n1 ZINC000414529266 380302696 /nfs/dbraw/zinc/30/26/96/380302696.db2.gz CATIORRSUJQZFS-INIZCTEOSA-N 0 3 269.392 3.006 20 30 CGEDHN CC(C)(C)[C@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000414531184 380304282 /nfs/dbraw/zinc/30/42/82/380304282.db2.gz FVPFDEUIPZPDHG-RYUDHWBXSA-N 0 3 263.410 3.319 20 30 CGEDHN Fc1ccc(C#CCN2CCC(C3CC3)CC2)cc1 ZINC000644719391 380495012 /nfs/dbraw/zinc/49/50/12/380495012.db2.gz UTKOGIXPIRDZNL-UHFFFAOYSA-N 0 3 257.352 3.299 20 30 CGEDHN C=C(C)[C@H](CO)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000644786065 380511103 /nfs/dbraw/zinc/51/11/03/380511103.db2.gz BOGDQEOIQLYCDN-GJZGRUSLSA-N 0 3 297.851 3.443 20 30 CGEDHN COc1cc(C#N)cc(OCCN(C)Cc2ccccc2)c1 ZINC000418960167 380753074 /nfs/dbraw/zinc/75/30/74/380753074.db2.gz FRFZNRSFNFLZLM-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(C3CC3)cc2)C1=O ZINC000419329426 380806780 /nfs/dbraw/zinc/80/67/80/380806780.db2.gz FFNHOVVVAWOBPC-DYVFJYSZSA-N 0 3 284.403 3.002 20 30 CGEDHN Cc1noc(C)c1[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC000421339426 380881809 /nfs/dbraw/zinc/88/18/09/380881809.db2.gz GCBMXJSMNAJXGC-SNVBAGLBSA-N 0 3 287.338 3.196 20 30 CGEDHN Cc1cc(C#N)cc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC000357690074 381251524 /nfs/dbraw/zinc/25/15/24/381251524.db2.gz YSNZQWBWHIGJPU-KBXCAEBGSA-N 0 3 294.402 3.365 20 30 CGEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCCOCC2)cc1 ZINC000358206963 381296109 /nfs/dbraw/zinc/29/61/09/381296109.db2.gz SYDJKEIGUHEHPN-HNNXBMFYSA-N 0 3 297.320 3.216 20 30 CGEDHN C=C(CC)CN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000358496020 381311435 /nfs/dbraw/zinc/31/14/35/381311435.db2.gz IYRXRFXPFXVANE-UGSOOPFHSA-N 0 3 265.422 3.383 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000360115289 381452695 /nfs/dbraw/zinc/45/26/95/381452695.db2.gz LLJNPNOADROJHK-CHWSQXEVSA-N 0 3 291.826 3.126 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000361150458 381658194 /nfs/dbraw/zinc/65/81/94/381658194.db2.gz AJSQJKIXLZIKLU-GUTXKFCHSA-N 0 3 270.380 3.084 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000361150458 381658201 /nfs/dbraw/zinc/65/82/01/381658201.db2.gz AJSQJKIXLZIKLU-GUTXKFCHSA-N 0 3 270.380 3.084 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000361150458 381658202 /nfs/dbraw/zinc/65/82/02/381658202.db2.gz AJSQJKIXLZIKLU-GUTXKFCHSA-N 0 3 270.380 3.084 20 30 CGEDHN C[C@H](CO)N(Cc1ccc(Cl)cc1C#N)CC1CCC1 ZINC000361493169 381773306 /nfs/dbraw/zinc/77/33/06/381773306.db2.gz QGBHCLBBLVAGOB-GFCCVEGCSA-N 0 3 292.810 3.195 20 30 CGEDHN C=CCOCCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000361746092 381865994 /nfs/dbraw/zinc/86/59/94/381865994.db2.gz UPNUDKDDMMQVCV-HNNXBMFYSA-N 0 3 273.376 3.225 20 30 CGEDHN COCCN(Cc1ccc(C#N)c(F)c1)[C@H]1CC[C@@H](C)C1 ZINC000362152501 381889813 /nfs/dbraw/zinc/88/98/13/381889813.db2.gz CDSWIASQHANWGV-CJNGLKHVSA-N 0 3 290.382 3.334 20 30 CGEDHN CCc1cc(NCC2(CC#N)CC2)c2ccccc2n1 ZINC000362358964 381955495 /nfs/dbraw/zinc/95/54/95/381955495.db2.gz LVAJPNKHYYIDPO-UHFFFAOYSA-N 0 3 265.360 3.325 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCN(c3ccccc3)C2)o1 ZINC000365503036 382288471 /nfs/dbraw/zinc/28/84/71/382288471.db2.gz CJQHALXZEGYVCO-OAHLLOKOSA-N 0 3 295.386 3.157 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000336236888 533107751 /nfs/dbraw/zinc/10/77/51/533107751.db2.gz IIPZBESFWZATNB-QWRGUYRKSA-N 0 3 256.305 3.112 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000347107754 533115614 /nfs/dbraw/zinc/11/56/14/533115614.db2.gz JVVXWKPWYSZVTJ-IINYFYTJSA-N 0 3 276.767 3.457 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000344452052 533118338 /nfs/dbraw/zinc/11/83/38/533118338.db2.gz CKNYPGUNGWYQHK-TVQRCGJNSA-N 0 3 280.318 3.328 20 30 CGEDHN C[C@H](CCOCc1ccccc1)NCc1ccc(C#N)o1 ZINC000288377946 197063118 /nfs/dbraw/zinc/06/31/18/197063118.db2.gz FUQMPEPDHXNJBM-CQSZACIVSA-N 0 3 284.359 3.236 20 30 CGEDHN COCCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000355063839 533177883 /nfs/dbraw/zinc/17/78/83/533177883.db2.gz REEKMCUFLJHYDC-LBPRGKRZSA-N 0 3 278.371 3.411 20 30 CGEDHN C=CCOCCN[C@@H]1CCc2c1cccc2Br ZINC000301761350 542413665 /nfs/dbraw/zinc/41/36/65/542413665.db2.gz HZXMDMMOCFDTKP-CQSZACIVSA-N 0 3 296.208 3.229 20 30 CGEDHN Cc1ccc(C#N)cc1NC(=O)C1CN(C2CCCCC2)C1 ZINC000333954396 542454511 /nfs/dbraw/zinc/45/45/11/542454511.db2.gz FHFFEXPPZWSVEV-UHFFFAOYSA-N 0 3 297.402 3.070 20 30 CGEDHN COc1cc(CN[C@@H]2CCc3cc(F)ccc32)ccc1C#N ZINC000281567072 195291024 /nfs/dbraw/zinc/29/10/24/195291024.db2.gz CIGXBFZIDDVGEW-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000281632110 195315579 /nfs/dbraw/zinc/31/55/79/195315579.db2.gz LUSWLGFNIUDOKM-NSHDSACASA-N 0 3 268.282 3.222 20 30 CGEDHN COc1ccc2nc(CNCCCCC#N)sc2c1 ZINC000353769478 533348656 /nfs/dbraw/zinc/34/86/56/533348656.db2.gz PHOLSLXRTGRNLL-UHFFFAOYSA-N 0 3 275.377 3.088 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2cc(C#N)cs2)CC1 ZINC000336465872 533369417 /nfs/dbraw/zinc/36/94/17/533369417.db2.gz IOYWDRRCFCJPRA-CQSZACIVSA-N 0 3 264.394 3.011 20 30 CGEDHN C#CCCCC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000192070253 130363324 /nfs/dbraw/zinc/36/33/24/130363324.db2.gz DQQRBKZTSKCLRP-HNNXBMFYSA-N 0 3 292.448 3.051 20 30 CGEDHN CCCN(Cc1cc(C#N)cs1)C[C@H]1CCCCO1 ZINC000093132507 392235784 /nfs/dbraw/zinc/23/57/84/392235784.db2.gz UEVLKIRFNBOQBY-CQSZACIVSA-N 0 3 278.421 3.401 20 30 CGEDHN CCCO[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000108391569 392342207 /nfs/dbraw/zinc/34/22/07/392342207.db2.gz KARIEORTJCLVEZ-QGZVFWFLSA-N 0 3 272.392 3.339 20 30 CGEDHN C=CCC[C@@H](NC1CCC(NC(C)=O)CC1)c1ccco1 ZINC000285537307 392324386 /nfs/dbraw/zinc/32/43/86/392324386.db2.gz BZLAEESDHPJSPM-UYSNPLJNSA-N 0 3 290.407 3.324 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](NCc2cc(C#N)cs2)C1(C)C ZINC000361899139 392357213 /nfs/dbraw/zinc/35/72/13/392357213.db2.gz INWLEULLQJDMOI-UONOGXRCSA-N 0 3 278.421 3.301 20 30 CGEDHN C=CCC[C@H](O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000245995467 131091088 /nfs/dbraw/zinc/09/10/88/131091088.db2.gz HLWUYVSCEXSKPQ-LSDHHAIUSA-N 0 3 295.448 3.056 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@H]1OCCc2ccccc21 ZINC000263763329 131324970 /nfs/dbraw/zinc/32/49/70/131324970.db2.gz VHWWJGUCIPFOEW-LJQANCHMSA-N 0 3 292.382 3.304 20 30 CGEDHN CN(Cc1ccc(Cl)nc1)CC(C)(C)CCC#N ZINC000125773166 392440878 /nfs/dbraw/zinc/44/08/78/392440878.db2.gz LGOKFZARUYTGLI-UHFFFAOYSA-N 0 3 265.788 3.497 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367052407 392462449 /nfs/dbraw/zinc/46/24/49/392462449.db2.gz AWZWHYNCGWOWAI-QGZVFWFLSA-N 0 3 289.806 3.194 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2OCCc3ccccc32)s1 ZINC000371879035 392564055 /nfs/dbraw/zinc/56/40/55/392564055.db2.gz AKCLCFWKNOVDHD-INIZCTEOSA-N 0 3 284.384 3.023 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374412308 392677190 /nfs/dbraw/zinc/67/71/90/392677190.db2.gz RIKRKLZEYIKWBD-HOTGVXAUSA-N 0 3 289.806 3.050 20 30 CGEDHN C#CCN(Cc1cc[nH]c1)[C@H]1CCc2ccccc21 ZINC000179204499 392691238 /nfs/dbraw/zinc/69/12/38/392691238.db2.gz IBKDPPNTADOBAK-KRWDZBQOSA-N 0 3 250.345 3.137 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000186318611 392782547 /nfs/dbraw/zinc/78/25/47/392782547.db2.gz WIWQKPRPXARGIL-CYBMUJFWSA-N 0 3 294.354 3.446 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1F)C1CCSCC1 ZINC000187173798 392788211 /nfs/dbraw/zinc/78/82/11/392788211.db2.gz LKNPLZBQKRUQEW-LLVKDONJSA-N 0 3 278.396 3.319 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000338608358 392923030 /nfs/dbraw/zinc/92/30/30/392923030.db2.gz UEQMHQLGWKINDM-GOSISDBHSA-N 0 3 298.430 3.463 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000338722271 392925939 /nfs/dbraw/zinc/92/59/39/392925939.db2.gz RILQNKXRRUIATP-TVQRCGJNSA-N 0 3 296.292 3.432 20 30 CGEDHN CN(C)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000338797186 392928105 /nfs/dbraw/zinc/92/81/05/392928105.db2.gz XNPARIAFUVSNGF-RCBQFDQVSA-N 0 3 291.826 3.225 20 30 CGEDHN C[C@H](c1cc2ccccc2o1)N(C)CCOCCC#N ZINC000338879793 392934251 /nfs/dbraw/zinc/93/42/51/392934251.db2.gz HSKCLXDMJNIWCU-CYBMUJFWSA-N 0 3 272.348 3.356 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000648292910 392960350 /nfs/dbraw/zinc/96/03/50/392960350.db2.gz ABQFILXERKNKTQ-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000411686240 392984541 /nfs/dbraw/zinc/98/45/41/392984541.db2.gz XCRQULHVXQFATP-CZUORRHYSA-N 0 3 260.356 3.481 20 30 CGEDHN CC[C@H]1CN(CC)CCN1CCC1(C#N)CCCCC1 ZINC000411788177 392988990 /nfs/dbraw/zinc/98/89/90/392988990.db2.gz GCPITBFSGNZOAV-INIZCTEOSA-N 0 3 277.456 3.267 20 30 CGEDHN CO[C@@](C)([C@@H](C)NCC#Cc1ccccc1Cl)C1CC1 ZINC000411962819 392991051 /nfs/dbraw/zinc/99/10/51/392991051.db2.gz BPVSDUPRENGENM-DYVFJYSZSA-N 0 3 291.822 3.485 20 30 CGEDHN COc1ccc(CN(C)[C@H](C)CCC#N)cc1Cl ZINC000412038952 392995475 /nfs/dbraw/zinc/99/54/75/392995475.db2.gz JUIKUURKVXTVIU-LLVKDONJSA-N 0 3 266.772 3.473 20 30 CGEDHN C=CCN(CCC(C)(C)OC)Cc1cccc(C#N)c1 ZINC000346295291 393082629 /nfs/dbraw/zinc/08/26/29/393082629.db2.gz LNJVSXITXVVAFT-UHFFFAOYSA-N 0 3 272.392 3.361 20 30 CGEDHN C[C@H](NCc1ccc(C#N)o1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000344700463 393047560 /nfs/dbraw/zinc/04/75/60/393047560.db2.gz OOTCWVZXRHRSQG-NVGCLXPQSA-N 0 3 282.343 3.194 20 30 CGEDHN C=CCOCCNCc1cc2ccccc2cc1OC ZINC000648510003 393071813 /nfs/dbraw/zinc/07/18/13/393071813.db2.gz ONXVOCVJQLOSNO-UHFFFAOYSA-N 0 3 271.360 3.141 20 30 CGEDHN C[C@H](Cc1ccccc1)CN1CCC(F)(C#N)CC1 ZINC000348710210 393129629 /nfs/dbraw/zinc/12/96/29/393129629.db2.gz NWTQTSHHHVMNGL-CQSZACIVSA-N 0 3 260.356 3.193 20 30 CGEDHN COc1ccc2cc(CNCCCC#N)ccc2c1 ZINC000258928687 393137769 /nfs/dbraw/zinc/13/77/69/393137769.db2.gz OPGVDXSJCDAGNM-UHFFFAOYSA-N 0 3 254.333 3.242 20 30 CGEDHN Cc1noc(C)c1[C@H](C)CNCc1ccc(C#N)cc1F ZINC000269813149 393232510 /nfs/dbraw/zinc/23/25/10/393232510.db2.gz MWOXZVBRMNKHIO-SNVBAGLBSA-N 0 3 287.338 3.196 20 30 CGEDHN CC#CCCNCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000354180246 393240661 /nfs/dbraw/zinc/24/06/61/393240661.db2.gz QMMVMQLUPYPZKT-UHFFFAOYSA-N 0 3 285.366 3.131 20 30 CGEDHN C=CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000355414792 393313350 /nfs/dbraw/zinc/31/33/50/393313350.db2.gz WWMLVIAOJLHMLZ-HZPDHXFCSA-N 0 3 286.419 3.074 20 30 CGEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000470953807 393269664 /nfs/dbraw/zinc/26/96/64/393269664.db2.gz SNUNMYVMMRSEQU-FZMZJTMJSA-N 0 3 298.308 3.210 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000649249394 393386095 /nfs/dbraw/zinc/38/60/95/393386095.db2.gz HIOIIRWCOZXHIR-CYBMUJFWSA-N 0 3 273.298 3.074 20 30 CGEDHN C=CC[C@@H]1CC[C@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000649488847 393449193 /nfs/dbraw/zinc/44/91/93/393449193.db2.gz BIWRQBRHDYNHGK-BZNIZROVSA-N 0 3 281.363 3.015 20 30 CGEDHN Cc1cc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1C#N ZINC000488171922 393466709 /nfs/dbraw/zinc/46/67/09/393466709.db2.gz PTEFVAHVMRBKGI-IRXDYDNUSA-N 0 3 286.419 3.096 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000359071577 393534918 /nfs/dbraw/zinc/53/49/18/393534918.db2.gz LNUOSSYGCNHOMB-DOTOQJQBSA-N 0 3 286.419 3.294 20 30 CGEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(C)n1 ZINC000421202414 393596192 /nfs/dbraw/zinc/59/61/92/393596192.db2.gz OKDILMPVGHAVHP-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443514367 393760667 /nfs/dbraw/zinc/76/06/67/393760667.db2.gz FSQWGRLMBKURPL-WDEREUQCSA-N 0 3 297.324 3.106 20 30 CGEDHN CO[C@H]1C[C@H](N(C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000449634386 393929802 /nfs/dbraw/zinc/92/98/02/393929802.db2.gz RCHZXOIHOXHYKK-IRXDYDNUSA-N 0 3 284.403 3.256 20 30 CGEDHN CCO[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451526757 394045970 /nfs/dbraw/zinc/04/59/70/394045970.db2.gz GXZLHXBJZHNDDU-JJRVBVJISA-N 0 3 272.392 3.366 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000452023055 394049355 /nfs/dbraw/zinc/04/93/55/394049355.db2.gz QFRRGZGUWYUDRW-DAXOMENPSA-N 0 3 258.365 3.166 20 30 CGEDHN C=CC1CCN(Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667624006 542899873 /nfs/dbraw/zinc/89/98/73/542899873.db2.gz KKTZJSSNUZYYRM-SFHVURJKSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCOc1cccc(CN2CC(C3CCOCC3)C2)c1 ZINC000669715778 543122844 /nfs/dbraw/zinc/12/28/44/543122844.db2.gz KHXSXVVLUQZVDU-UHFFFAOYSA-N 0 3 287.403 3.110 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1oc2c(cccc2C)c1C ZINC000649820299 397728320 /nfs/dbraw/zinc/72/83/20/397728320.db2.gz ZNWORSKLVUMMGE-OAHLLOKOSA-N 0 3 273.376 3.418 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(Oc2cc(C)ccc2C)CC1 ZINC000677478205 543450735 /nfs/dbraw/zinc/45/07/35/543450735.db2.gz RCMVBOFNKFFTPZ-QGZVFWFLSA-N 0 3 289.419 3.084 20 30 CGEDHN C=C(C)[C@H](CO)N(CC)Cc1cccc(Cl)c1 ZINC000677951731 543474452 /nfs/dbraw/zinc/47/44/52/543474452.db2.gz RPZNYOHOXZJDMC-AWEZNQCLSA-N 0 3 253.773 3.099 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000678235332 543498393 /nfs/dbraw/zinc/49/83/93/543498393.db2.gz QZFQELUOJBJARH-KRWDZBQOSA-N 0 3 297.402 3.285 20 30 CGEDHN C=CCOc1ccccc1CNC1CCC(O)(CC)CC1 ZINC000678497887 543530912 /nfs/dbraw/zinc/53/09/12/543530912.db2.gz LPMYYKFRWZDECV-UHFFFAOYSA-N 0 3 289.419 3.425 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000678734263 543551370 /nfs/dbraw/zinc/55/13/70/543551370.db2.gz CRUKQSPJCQEOGW-UONOGXRCSA-N 0 3 253.773 3.318 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000678794010 543559034 /nfs/dbraw/zinc/55/90/34/543559034.db2.gz CGEDVGBWKMQOHI-RDTXWAMCSA-N 0 3 282.387 3.336 20 30 CGEDHN CCO[C@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)C12CCC2 ZINC000272198696 286537317 /nfs/dbraw/zinc/53/73/17/286537317.db2.gz ISDBXWRSADLFCX-IRXDYDNUSA-N 0 3 296.414 3.485 20 30 CGEDHN COc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cc1C#N ZINC000087833450 165188874 /nfs/dbraw/zinc/18/88/74/165188874.db2.gz ZJHCYMIRCLKDRK-HOCLYGCPSA-N 0 3 270.376 3.331 20 30 CGEDHN CN(CCc1ccc(F)cc1)Cc1cc(C#N)cs1 ZINC000092162165 165281866 /nfs/dbraw/zinc/28/18/66/165281866.db2.gz YPQJQKQIDQNFDV-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN N#Cc1ccc2ncc(CN3CCC4(C3)CCCCC4)n2c1 ZINC000093663710 165333771 /nfs/dbraw/zinc/33/37/71/165333771.db2.gz ZBFDXDUCOUBNHL-UHFFFAOYSA-N 0 3 294.402 3.362 20 30 CGEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCCC(C)(C)C#N ZINC000350473147 287182774 /nfs/dbraw/zinc/18/27/74/287182774.db2.gz FLJQVNBDUNDQGO-HZPDHXFCSA-N 0 3 293.455 3.038 20 30 CGEDHN CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000281542485 287210784 /nfs/dbraw/zinc/21/07/84/287210784.db2.gz WZUMXOLCNJUTCE-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN N#Cc1ccnc(NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000285578350 196333174 /nfs/dbraw/zinc/33/31/74/196333174.db2.gz KJVQYJKFCCNYNY-AWEZNQCLSA-N 0 3 298.415 3.264 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000679576658 543647872 /nfs/dbraw/zinc/64/78/72/543647872.db2.gz QMOCDPYMDDJKLZ-SNVBAGLBSA-N 0 3 289.297 3.280 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680108863 543685727 /nfs/dbraw/zinc/68/57/27/543685727.db2.gz KPRHOWZUPLGGOM-XJKSGUPXSA-N 0 3 261.340 3.081 20 30 CGEDHN C=CCN1CCC(NC(=O)CCCC[C@H](C)CC)CC1 ZINC000680190090 543689063 /nfs/dbraw/zinc/68/90/63/543689063.db2.gz NEQGLZXXWGXBFG-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN CO[C@@H](CNCc1cccc(OCCCC#N)c1)C(C)C ZINC000344718752 225155511 /nfs/dbraw/zinc/15/55/11/225155511.db2.gz UQUXKNDYWKSDMO-KRWDZBQOSA-N 0 3 290.407 3.130 20 30 CGEDHN C[C@H]1CCC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000130655083 287360354 /nfs/dbraw/zinc/36/03/54/287360354.db2.gz YDMWAYNOMLHCCA-ZFWWWQNUSA-N 0 3 282.391 3.216 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(Br)cc1C ZINC000683525210 543920659 /nfs/dbraw/zinc/92/06/59/543920659.db2.gz PIDRMBFTOGGPLX-AWEZNQCLSA-N 0 3 298.224 3.126 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2c(s1)CCCC2 ZINC000684767449 544027911 /nfs/dbraw/zinc/02/79/11/544027911.db2.gz KJFMESUNMGVDBX-MLGOLLRUSA-N 0 3 292.448 3.093 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000336442977 227017679 /nfs/dbraw/zinc/01/76/79/227017679.db2.gz SHZZWFHODKWQBB-CHWSQXEVSA-N 0 3 274.339 3.081 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654519896 418981113 /nfs/dbraw/zinc/98/11/13/418981113.db2.gz OPXFGIKULCLRNZ-ARFHVFGLSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCN(CCO[C@H]1CC1(F)F)Cc1ccc(OC)cc1 ZINC000659849860 419012195 /nfs/dbraw/zinc/01/21/95/419012195.db2.gz TYKVLSQEWBZQQI-HNNXBMFYSA-N 0 3 297.345 3.107 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000653585914 419055216 /nfs/dbraw/zinc/05/52/16/419055216.db2.gz PIVPIMAWFHNTGP-KRWDZBQOSA-N 0 3 275.367 3.242 20 30 CGEDHN C=CCN(Cc1ccc(Cl)c(OC)c1)[C@H](C)COC ZINC000661240304 419243713 /nfs/dbraw/zinc/24/37/13/419243713.db2.gz NHBVWGTUEWANLC-GFCCVEGCSA-N 0 3 283.799 3.372 20 30 CGEDHN C=CCCn1cc(CNCCCc2ccc(C)cc2C)nn1 ZINC000657294684 419244542 /nfs/dbraw/zinc/24/45/42/419244542.db2.gz VIMOLYRVJNGABU-UHFFFAOYSA-N 0 3 298.434 3.193 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC[C@H](C(C)C)C2)nn1 ZINC000657353428 419257958 /nfs/dbraw/zinc/25/79/58/419257958.db2.gz NCJQOJSTIKHJBA-GJZGRUSLSA-N 0 3 276.428 3.159 20 30 CGEDHN OC1([C@@H]2CCCCN2CC#Cc2cccc(Cl)c2)CC1 ZINC000656708102 419205930 /nfs/dbraw/zinc/20/59/30/419205930.db2.gz BQIGQVSDNAYAGU-INIZCTEOSA-N 0 3 289.806 3.071 20 30 CGEDHN C=CCCn1cc(CNCC(C)(C)CC(C)C)nn1 ZINC000657391389 419268521 /nfs/dbraw/zinc/26/85/21/419268521.db2.gz RUYUWKGCNBCNBF-UHFFFAOYSA-N 0 3 264.417 3.016 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nccc(OC)c1OC ZINC000661115881 419231898 /nfs/dbraw/zinc/23/18/98/419231898.db2.gz UYMDDHYLONVLST-KGLIPLIRSA-N 0 3 290.407 3.323 20 30 CGEDHN C=C(CC)CNCc1ccc(O[C@@H](C)COC)cc1 ZINC000657484017 419290324 /nfs/dbraw/zinc/29/03/24/419290324.db2.gz ILRIDYFKHAYZFK-AWEZNQCLSA-N 0 3 263.381 3.156 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCCC)cc1C ZINC000657482096 419290412 /nfs/dbraw/zinc/29/04/12/419290412.db2.gz QBUOVMQEIWNXPD-SJORKVTESA-N 0 3 275.392 3.217 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@@H]2CC=C)nn1 ZINC000657529699 419299375 /nfs/dbraw/zinc/29/93/75/419299375.db2.gz HAWMCFDGAJHNNZ-GOEBONIOSA-N 0 3 274.412 3.079 20 30 CGEDHN C=CCCn1cc(CNCC2(CCC=C)CCCC2)nn1 ZINC000657567154 419307536 /nfs/dbraw/zinc/30/75/36/419307536.db2.gz KUOYNKDKCNHDSS-UHFFFAOYSA-N 0 3 288.439 3.470 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H]2CCC[C@@H](C)O2)cc1 ZINC000657665802 419322985 /nfs/dbraw/zinc/32/29/85/419322985.db2.gz QJUQGPZZHCPRFG-PBHICJAKSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOc1cccc(CNC[C@@H]2CCC[C@@H](C)O2)c1 ZINC000657666295 419323077 /nfs/dbraw/zinc/32/30/77/419323077.db2.gz SIJOWYSGMZJGIA-PBHICJAKSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOc1ccc(CNC[C@H]2CCC[C@H](C)O2)cc1 ZINC000657665807 419323549 /nfs/dbraw/zinc/32/35/49/419323549.db2.gz QJUQGPZZHCPRFG-WMLDXEAASA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H]1CCC[C@H](C)O1 ZINC000657662484 419321257 /nfs/dbraw/zinc/32/12/57/419321257.db2.gz CUVNXZCYNZOQKN-HOCLYGCPSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc2n1CCCCC2 ZINC000657819523 419367431 /nfs/dbraw/zinc/36/74/31/419367431.db2.gz GPSCZOVJFHTWKU-CABCVRRESA-N 0 3 288.439 3.229 20 30 CGEDHN C=CCC1(NC(=O)C[C@@H](N)c2ccccc2)CCCC1 ZINC000662889031 419503958 /nfs/dbraw/zinc/50/39/58/419503958.db2.gz QHUUWPQIWONKAE-OAHLLOKOSA-N 0 3 272.392 3.082 20 30 CGEDHN C=CCCC1(CN[C@@H]2CCn3ccnc32)CCCC1 ZINC000658100034 419579753 /nfs/dbraw/zinc/57/97/53/419579753.db2.gz YWMCSTGSDHYTGS-CQSZACIVSA-N 0 3 259.397 3.444 20 30 CGEDHN C=C(C)[C@H](NC(=O)[C@H](CC)N(C)C)c1ccc(F)c(F)c1 ZINC000298126872 260144550 /nfs/dbraw/zinc/14/45/50/260144550.db2.gz BEDRNLCUCHFQCI-GJZGRUSLSA-N 0 3 296.361 3.038 20 30 CGEDHN C=CCN(CCc1ccco1)[C@@H](C)c1cccnc1 ZINC000298754061 260162431 /nfs/dbraw/zinc/16/24/31/260162431.db2.gz CMLFIDIIMCTFJO-AWEZNQCLSA-N 0 3 256.349 3.466 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCCC[C@@H]1O ZINC000517833139 260310399 /nfs/dbraw/zinc/31/03/99/260310399.db2.gz ULFJDHHISNXXMD-MSOLQXFVSA-N 0 3 284.403 3.097 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000449248972 260312428 /nfs/dbraw/zinc/31/24/28/260312428.db2.gz KGWTVXACGNOTAL-WFASDCNBSA-N 0 3 278.371 3.077 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000090451311 260359540 /nfs/dbraw/zinc/35/95/40/260359540.db2.gz AGWWDIQVCAIUAO-NSHDSACASA-N 0 3 255.308 3.208 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000090450890 260359875 /nfs/dbraw/zinc/35/98/75/260359875.db2.gz VRZCQQHANKOBRR-CQSZACIVSA-N 0 3 291.391 3.091 20 30 CGEDHN C[C@H](NCCCC#N)c1ccc(Br)cc1 ZINC000042224681 260613774 /nfs/dbraw/zinc/61/37/74/260613774.db2.gz AYIXTXBRWRNAGU-JTQLQIEISA-N 0 3 267.170 3.403 20 30 CGEDHN N#CCCCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557437 260784529 /nfs/dbraw/zinc/78/45/29/260784529.db2.gz YCJORSBNHATTGQ-UHFFFAOYSA-N 0 3 276.355 3.363 20 30 CGEDHN Cc1ccccc1N1CCN(CC(C)(C)CCC#N)CC1 ZINC000162449373 261282015 /nfs/dbraw/zinc/28/20/15/261282015.db2.gz HGUTYLGLQWUGPC-UHFFFAOYSA-N 0 3 285.435 3.447 20 30 CGEDHN C=CCSCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000105462597 261359793 /nfs/dbraw/zinc/35/97/93/261359793.db2.gz LDQCUYXKYKDDCX-UHFFFAOYSA-N 0 3 299.823 3.120 20 30 CGEDHN Cc1nn(C)cc1[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000363926300 262036728 /nfs/dbraw/zinc/03/67/28/262036728.db2.gz VNXXJRCPPWMZRP-HNNXBMFYSA-N 0 3 274.412 3.195 20 30 CGEDHN CCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000185777044 262069862 /nfs/dbraw/zinc/06/98/62/262069862.db2.gz GHYUIFIGFLBOPI-HIFRSBDPSA-N 0 3 288.391 3.266 20 30 CGEDHN CC1(C)CN(CCCCC#N)CC2(CCCC2)O1 ZINC000190953864 262187493 /nfs/dbraw/zinc/18/74/93/262187493.db2.gz FEFFFBKMWWNSQO-UHFFFAOYSA-N 0 3 250.386 3.104 20 30 CGEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000192633034 262206694 /nfs/dbraw/zinc/20/66/94/262206694.db2.gz PXABHNHSHLESBC-YPMHNXCESA-N 0 3 262.328 3.006 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC000192661873 262207481 /nfs/dbraw/zinc/20/74/81/262207481.db2.gz IHQSEGYYEZLOAA-IRXDYDNUSA-N 0 3 283.419 3.459 20 30 CGEDHN CCC(CC)CN(CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488513610 262329871 /nfs/dbraw/zinc/32/98/71/262329871.db2.gz KQBBAOWGMQKWBK-RHSMWYFYSA-N 0 3 295.471 3.187 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(OCCc2ccccc2)CC1 ZINC000411197266 262683495 /nfs/dbraw/zinc/68/34/95/262683495.db2.gz KKHJIZHNGXIEBO-INIZCTEOSA-N 0 3 286.419 3.402 20 30 CGEDHN C=CCC[C@H](CCC)NCc1ccccc1S(C)(=O)=O ZINC000414231136 262829396 /nfs/dbraw/zinc/82/93/96/262829396.db2.gz GXCSYTDYULADPI-HNNXBMFYSA-N 0 3 295.448 3.315 20 30 CGEDHN N#CCC[C@H](NC[C@@H]1CCSC1)c1ccccc1 ZINC000278570005 263049153 /nfs/dbraw/zinc/04/91/53/263049153.db2.gz XGWIHBWADFPDRY-ZFWWWQNUSA-N 0 3 260.406 3.374 20 30 CGEDHN CC(C)CC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279544546 263056008 /nfs/dbraw/zinc/05/60/08/263056008.db2.gz VXNNRYCALWCRDJ-RHSMWYFYSA-N 0 3 297.402 3.181 20 30 CGEDHN Cc1nc([C@@H](C)NCC2CCC(C#N)CC2)cs1 ZINC000282394387 263076443 /nfs/dbraw/zinc/07/64/43/263076443.db2.gz RGNDTWONIUUHAQ-QFWMXSHPSA-N 0 3 263.410 3.432 20 30 CGEDHN CN(CCc1ccccc1[N+](=O)[O-])CCC(C)(C)C#N ZINC000285459739 263093101 /nfs/dbraw/zinc/09/31/01/263093101.db2.gz ZEFARHGCOGFHEB-UHFFFAOYSA-N 0 3 275.352 3.009 20 30 CGEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)CCC1(F)F ZINC000289792961 263112087 /nfs/dbraw/zinc/11/20/87/263112087.db2.gz MKBRGHRNXSANLL-LBPRGKRZSA-N 0 3 280.318 3.066 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(N3CCc4ccccc43)CC2)C1 ZINC000294194057 263157625 /nfs/dbraw/zinc/15/76/25/263157625.db2.gz RDCXUTXWUXHEPZ-YJBOKZPZSA-N 0 3 295.430 3.206 20 30 CGEDHN C[C@H](CCC#N)N1CCC(COc2ccccc2)CC1 ZINC000298321790 263218082 /nfs/dbraw/zinc/21/80/82/263218082.db2.gz ZFVGSBSKOSNTKR-OAHLLOKOSA-N 0 3 272.392 3.470 20 30 CGEDHN CC[C@H](N[C@H](C)CCC#N)c1ccc(OC)c(OC)c1 ZINC000298672632 263223338 /nfs/dbraw/zinc/22/33/38/263223338.db2.gz YMKJGAQNODSLHE-OCCSQVGLSA-N 0 3 276.380 3.437 20 30 CGEDHN CC[C@@H](N[C@@H](C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000299183155 263233382 /nfs/dbraw/zinc/23/33/82/263233382.db2.gz ZOALQQHFWSDAQR-SMDDNHRTSA-N 0 3 261.325 3.328 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](CC)c1cc(F)ccc1F ZINC000453338129 263241949 /nfs/dbraw/zinc/24/19/49/263241949.db2.gz CDYXYEUDPBDYCU-DOMZBBRYSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCC[C@H](NCc1nncn1-c1ccccc1)C1CC1 ZINC000120120119 263280989 /nfs/dbraw/zinc/28/09/89/263280989.db2.gz DBWIUVXNPBVEKQ-INIZCTEOSA-N 0 3 282.391 3.102 20 30 CGEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccsc2)s1 ZINC000341278404 263329925 /nfs/dbraw/zinc/32/99/25/263329925.db2.gz RXEWZDUZGUKNPN-NSHDSACASA-N 0 3 294.445 3.146 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc2ccccc2n1 ZINC000341882337 263362628 /nfs/dbraw/zinc/36/26/28/263362628.db2.gz GVPSXXBNVQRNRR-KGLIPLIRSA-N 0 3 270.376 3.070 20 30 CGEDHN C=CC1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341891921 263366700 /nfs/dbraw/zinc/36/67/00/263366700.db2.gz DNVCERYZPKSNJF-UHFFFAOYSA-N 0 3 270.298 3.498 20 30 CGEDHN COCC1(C#N)CCN(CCCSCC(C)C)CC1 ZINC000341970037 263372561 /nfs/dbraw/zinc/37/25/61/263372561.db2.gz CYGXTLVFCXQJJN-UHFFFAOYSA-N 0 3 284.469 3.018 20 30 CGEDHN CCC1(CC)CCC([NH+]=C([O-])NCCn2ccnc2)CC1 ZINC000331031345 264119566 /nfs/dbraw/zinc/11/95/66/264119566.db2.gz ZPJJCBZBPJLKFH-UHFFFAOYSA-N 0 3 292.427 3.136 20 30 CGEDHN C=CCN1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425479705 264348302 /nfs/dbraw/zinc/34/83/02/264348302.db2.gz QJFGNUYPKSFYCU-CYBMUJFWSA-N 0 3 253.386 3.149 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000180459331 264410966 /nfs/dbraw/zinc/41/09/66/264410966.db2.gz OUAWCHPHQHSZGB-NSHDSACASA-N 0 3 269.385 3.404 20 30 CGEDHN C[C@@H]1CSC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000285938582 264566097 /nfs/dbraw/zinc/56/60/97/264566097.db2.gz MAWPOWJMEYLEKX-BXUZGUMPSA-N 0 3 299.361 3.398 20 30 CGEDHN C=C1CCN(Cc2ccc(COCCOC)cc2)CC1 ZINC000289377517 264720920 /nfs/dbraw/zinc/72/09/20/264720920.db2.gz PSYJZWMTTAIUBC-UHFFFAOYSA-N 0 3 275.392 3.002 20 30 CGEDHN CCN(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000034674410 270027621 /nfs/dbraw/zinc/02/76/21/270027621.db2.gz ZCZHUBKKUJLACB-UHFFFAOYSA-N 0 3 280.371 3.459 20 30 CGEDHN Cc1ccc(C[C@@H](CO)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000191593147 270075240 /nfs/dbraw/zinc/07/52/40/270075240.db2.gz BAESJXNHZUHHCG-KXBFYZLASA-N 0 3 294.398 3.121 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(Cl)c(Cl)c1 ZINC000320920643 266008332 /nfs/dbraw/zinc/00/83/32/266008332.db2.gz COXWPQMXIQORQY-NSHDSACASA-N 0 3 274.191 3.410 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000357804870 266367331 /nfs/dbraw/zinc/36/73/31/266367331.db2.gz RJTWAEOAZJBROG-YOEHRIQHSA-N 0 3 278.355 3.246 20 30 CGEDHN C=CCCC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357884014 266381640 /nfs/dbraw/zinc/38/16/40/266381640.db2.gz YPVGWOGXEMWZFA-PBHICJAKSA-N 0 3 274.408 3.069 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000362232131 266948892 /nfs/dbraw/zinc/94/88/92/266948892.db2.gz ZOJBCJAGCVDBCG-AWEZNQCLSA-N 0 3 290.407 3.168 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@](C)(CC)C1 ZINC000362383770 266977137 /nfs/dbraw/zinc/97/71/37/266977137.db2.gz BNOSSPBWUBROAP-DOTOQJQBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCOCCNCc1cccc(-c2ccccn2)c1 ZINC000369992544 267281258 /nfs/dbraw/zinc/28/12/58/267281258.db2.gz ADIPPOJXVJGFAC-UHFFFAOYSA-N 0 3 268.360 3.041 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC000530360757 267315105 /nfs/dbraw/zinc/31/51/05/267315105.db2.gz HZPGQUMVPRYUJY-QGZVFWFLSA-N 0 3 284.403 3.482 20 30 CGEDHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCC1(C#N)CCC1 ZINC000418137582 267371853 /nfs/dbraw/zinc/37/18/53/267371853.db2.gz DZTXJGPRPITFNU-IMJJTQAJSA-N 0 3 254.377 3.462 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000120108813 267382439 /nfs/dbraw/zinc/38/24/39/267382439.db2.gz ORXQJYIZYZGZHR-GJZGRUSLSA-N 0 3 266.429 3.064 20 30 CGEDHN CC[C@@H](C)[C@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000532967383 270220270 /nfs/dbraw/zinc/22/02/70/270220270.db2.gz AVJMGZRXABADCW-RHSMWYFYSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@@H](CN1CCCCC1)Nc1c(C#N)cnc2ccccc21 ZINC000301065944 274217644 /nfs/dbraw/zinc/21/76/44/274217644.db2.gz DHXRAZILGCLVTI-AWEZNQCLSA-N 0 3 294.402 3.393 20 30 CGEDHN C[C@@H]1CC[C@@H](C)N1Cc1cn2ccccc2c1C#N ZINC000123222116 274310955 /nfs/dbraw/zinc/31/09/55/274310955.db2.gz KJVIDNPFMPEFQJ-CHWSQXEVSA-N 0 3 253.349 3.184 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414594808 274922912 /nfs/dbraw/zinc/92/29/12/274922912.db2.gz SPVAMDAHOFQZQC-QGZVFWFLSA-N 0 3 295.361 3.066 20 30 CGEDHN CCN(CC)[C@H](CNc1ccc(C)c(C#N)n1)c1ccco1 ZINC000302669155 276119597 /nfs/dbraw/zinc/11/95/97/276119597.db2.gz QXIMRTLEXNDSOP-OAHLLOKOSA-N 0 3 298.390 3.350 20 30 CGEDHN CCOC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177172762 276330432 /nfs/dbraw/zinc/33/04/32/276330432.db2.gz GFMSSNAGYMHVCN-MRXNPFEDSA-N 0 3 291.822 3.440 20 30 CGEDHN CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)CC(C)C ZINC000417358411 277281155 /nfs/dbraw/zinc/28/11/55/277281155.db2.gz HUTIDUPBPPLKOL-WBVHZDCISA-N 0 3 272.392 3.196 20 30 CGEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341762397 277898206 /nfs/dbraw/zinc/89/82/06/277898206.db2.gz VBOIWPIVFANXLC-QGZVFWFLSA-N 0 3 293.370 3.129 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000336328205 278371175 /nfs/dbraw/zinc/37/11/75/278371175.db2.gz SXLPERASBPAMKZ-BDJLRTHQSA-N 0 3 266.348 3.010 20 30 CGEDHN N#Cc1cccc(N2CCN(CC3CCCCCC3)CC2)n1 ZINC000545551367 288896149 /nfs/dbraw/zinc/89/61/49/288896149.db2.gz ABCACDNTKCXFOT-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN N#Cc1c(Cl)cccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000110258995 294858731 /nfs/dbraw/zinc/85/87/31/294858731.db2.gz ZCQZHGTVUZPGFO-CYBMUJFWSA-N 0 3 289.810 3.276 20 30 CGEDHN CC#CCCNCc1cc(C)c(Br)s1 ZINC000389269700 328724406 /nfs/dbraw/zinc/72/44/06/328724406.db2.gz LEEKAPQEHKKFLT-UHFFFAOYSA-N 0 3 272.211 3.322 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000580147433 327710624 /nfs/dbraw/zinc/71/06/24/327710624.db2.gz RSSZZGHCXAVTHG-DZGCQCFKSA-N 0 3 299.374 3.199 20 30 CGEDHN C=CCCCCNCc1ncc(CSC)s1 ZINC000293363584 328094071 /nfs/dbraw/zinc/09/40/71/328094071.db2.gz USWBNBWKLGUIRF-UHFFFAOYSA-N 0 3 256.440 3.452 20 30 CGEDHN CC#CCN(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411766697 328099254 /nfs/dbraw/zinc/09/92/54/328099254.db2.gz COYHWPUMKDKWEH-UHFFFAOYSA-N 0 3 299.201 3.277 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000289976164 328150066 /nfs/dbraw/zinc/15/00/66/328150066.db2.gz XRRILPJJSHXYEM-SCZZXKLOSA-N 0 3 260.164 3.191 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3c(n2)CCCC3)C1 ZINC000278511869 328225975 /nfs/dbraw/zinc/22/59/75/328225975.db2.gz ROCPLLLCMKGVAQ-DZGCQCFKSA-N 0 3 269.392 3.132 20 30 CGEDHN COCCN(CCCCC(C)(C)C#N)Cc1ccccn1 ZINC000286739356 328250134 /nfs/dbraw/zinc/25/01/34/328250134.db2.gz CAWGQYMUWBQKMS-UHFFFAOYSA-N 0 3 289.423 3.250 20 30 CGEDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)cn1 ZINC000565156547 322063064 /nfs/dbraw/zinc/06/30/64/322063064.db2.gz IXIGRKWNNMULTP-GFCCVEGCSA-N 0 3 271.286 3.020 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC000567265220 322156657 /nfs/dbraw/zinc/15/66/57/322156657.db2.gz DRXMLDTXDGAVEE-SFHVURJKSA-N 0 3 278.355 3.212 20 30 CGEDHN N#Cc1cccc(N2CCN(CCC3CCCCC3)CC2)n1 ZINC000569398864 322246351 /nfs/dbraw/zinc/24/63/51/322246351.db2.gz RIVDNZQRYPCHIX-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN C[C@@H](CN(Cc1ccc(C#N)o1)[C@@H](C)CO)c1ccccc1 ZINC000571722884 322306061 /nfs/dbraw/zinc/30/60/61/322306061.db2.gz VIUCGVYKJODCQL-GJZGRUSLSA-N 0 3 298.386 3.138 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089100131 327029781 /nfs/dbraw/zinc/02/97/81/327029781.db2.gz QNPGTACJWVSROV-UHFFFAOYSA-N 0 3 265.328 3.010 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)CCc1ccc(Cl)s1 ZINC000381047703 327086844 /nfs/dbraw/zinc/08/68/44/327086844.db2.gz FYLJZKVABBJBCX-VHSXEESVSA-N 0 3 256.802 3.472 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090883511 327101582 /nfs/dbraw/zinc/10/15/82/327101582.db2.gz YDAFLRULIDCFHK-ZDUSSCGKSA-N 0 3 278.352 3.147 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(OCC)cc1 ZINC000090883685 327101659 /nfs/dbraw/zinc/10/16/59/327101659.db2.gz TYOLDBZKROYTQE-CQSZACIVSA-N 0 3 263.381 3.329 20 30 CGEDHN C[C@@H](c1cccc(F)c1)N1CCN(CCCCC#N)CC1 ZINC000159465102 327197023 /nfs/dbraw/zinc/19/70/23/327197023.db2.gz KJRWUKFJYFRFDF-HNNXBMFYSA-N 0 3 289.398 3.198 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400951 327243542 /nfs/dbraw/zinc/24/35/42/327243542.db2.gz TWQRUXPPLNJNTQ-GDBMZVCRSA-N 0 3 295.810 3.120 20 30 CGEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cn2)C1 ZINC000583358510 327318176 /nfs/dbraw/zinc/31/81/76/327318176.db2.gz WIDPLZAOTKFBIN-CABCVRRESA-N 0 3 275.421 3.059 20 30 CGEDHN COc1ccc(C[C@@H](C)CN(C)CC(C)(C)C#N)cc1F ZINC000560570088 327326498 /nfs/dbraw/zinc/32/64/98/327326498.db2.gz NWIOORSNEZJWEO-CYBMUJFWSA-N 0 3 292.398 3.494 20 30 CGEDHN COc1ccc(C[C@H](C)CN(C)CC(C)(C)C#N)cc1F ZINC000560570089 327326515 /nfs/dbraw/zinc/32/65/15/327326515.db2.gz NWIOORSNEZJWEO-ZDUSSCGKSA-N 0 3 292.398 3.494 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1CCCCCC1 ZINC000150876340 327394659 /nfs/dbraw/zinc/39/46/59/327394659.db2.gz SZGNTFVRJWXVSV-UHFFFAOYSA-N 0 3 266.429 3.067 20 30 CGEDHN N#CCC1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000334891081 327396341 /nfs/dbraw/zinc/39/63/41/327396341.db2.gz QZLDISMNDOBMNB-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2ccccc2n1CC ZINC000582294518 328951777 /nfs/dbraw/zinc/95/17/77/328951777.db2.gz QLQIZSZRIASIGL-KDOFPFPSSA-N 0 3 299.418 3.127 20 30 CGEDHN C=C(C)CN(C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418338022 329160985 /nfs/dbraw/zinc/16/09/85/329160985.db2.gz YTVXOONYOYFTBV-MRXNPFEDSA-N 0 3 289.423 3.027 20 30 CGEDHN C=CCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000175681093 329167749 /nfs/dbraw/zinc/16/77/49/329167749.db2.gz PVACTJYIMVAQFC-KRWDZBQOSA-N 0 3 286.419 3.124 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000181334539 329232006 /nfs/dbraw/zinc/23/20/06/329232006.db2.gz PZOMAYCHZCQORA-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCN1CCC(Oc2cccc(Br)c2)CC1 ZINC000183819400 329252972 /nfs/dbraw/zinc/25/29/72/329252972.db2.gz ROPMJSRVCKNYND-UHFFFAOYSA-N 0 3 296.208 3.478 20 30 CGEDHN CC(C)[C@@H]1CCCN(Cc2ccc(C#N)cn2)CC1 ZINC000583091961 329314425 /nfs/dbraw/zinc/31/44/25/329314425.db2.gz ANDSJYNUAWXVBX-OAHLLOKOSA-N 0 3 257.381 3.211 20 30 CGEDHN CCCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000185783075 329331762 /nfs/dbraw/zinc/33/17/62/329331762.db2.gz UUGPIPGAOQOPOT-ZFWWWQNUSA-N 0 3 273.380 3.042 20 30 CGEDHN Cc1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185895982 329334674 /nfs/dbraw/zinc/33/46/74/329334674.db2.gz QSKBBWAESNGCPF-DOTOQJQBSA-N 0 3 294.402 3.353 20 30 CGEDHN C=CCOc1ccccc1CNCCCC1(O)CCC1 ZINC000421370326 329824541 /nfs/dbraw/zinc/82/45/41/329824541.db2.gz IJPOQBXQGWUYBO-UHFFFAOYSA-N 0 3 275.392 3.036 20 30 CGEDHN C[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433113509 330148680 /nfs/dbraw/zinc/14/86/80/330148680.db2.gz CRASHEOBIKMYHS-GDBMZVCRSA-N 0 3 270.376 3.160 20 30 CGEDHN CCC(C#N)(CC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000527910281 330290652 /nfs/dbraw/zinc/29/06/52/330290652.db2.gz NMBIVZBFWQXWQS-UHFFFAOYSA-N 0 3 273.380 3.017 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCNc3ccccc32)C1 ZINC000424335497 330343280 /nfs/dbraw/zinc/34/32/80/330343280.db2.gz WUSOJLJKPGCCJI-DVOMOZLQSA-N 0 3 255.365 3.215 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424337746 330343758 /nfs/dbraw/zinc/34/37/58/330343758.db2.gz ZXBMZRXBPRLBOD-SQWLQELKSA-N 0 3 270.376 3.491 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC=CCC1)C(C)C ZINC000046049418 330350975 /nfs/dbraw/zinc/35/09/75/330350975.db2.gz MWRGDQRXDOKMBN-IAGOWNOFSA-N 0 3 290.451 3.158 20 30 CGEDHN CC#CCN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000119451974 330374421 /nfs/dbraw/zinc/37/44/21/330374421.db2.gz HUSXHMXOQCWTIH-UHFFFAOYSA-N 0 3 285.366 3.104 20 30 CGEDHN C=CC[C@H](CO)CNCc1cc2cc(C)c(C)cc2o1 ZINC000537023725 330385717 /nfs/dbraw/zinc/38/57/17/330385717.db2.gz KUQQPYOVPQGDOI-AWEZNQCLSA-N 0 3 273.376 3.324 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCOc2cc(C)ccc21 ZINC000090451203 330392494 /nfs/dbraw/zinc/39/24/94/330392494.db2.gz MVGLLMFJKCBNDJ-MRXNPFEDSA-N 0 3 275.392 3.391 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2sccc21 ZINC000090450866 330392564 /nfs/dbraw/zinc/39/25/64/330392564.db2.gz GISGPQJQYPLSCF-ZDUSSCGKSA-N 0 3 251.395 3.308 20 30 CGEDHN CCOc1ccc(CNCC2(CC#N)CC2)cc1F ZINC000430002529 330557050 /nfs/dbraw/zinc/55/70/50/330557050.db2.gz GLYWUFFSGSKHHX-UHFFFAOYSA-N 0 3 262.328 3.008 20 30 CGEDHN CC(C)Oc1ccccc1CNCC1(CC#N)CC1 ZINC000430023866 330557581 /nfs/dbraw/zinc/55/75/81/330557581.db2.gz RDWDSMJKXFHFIO-UHFFFAOYSA-N 0 3 258.365 3.257 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)nc2ccccc21 ZINC000435592652 330658389 /nfs/dbraw/zinc/65/83/89/330658389.db2.gz MPTFYHTVXRMITL-KBXCAEBGSA-N 0 3 282.387 3.358 20 30 CGEDHN Cc1nc(-c2ccc(CN[C@@H]3CC[C@@H](C#N)C3)o2)cs1 ZINC000442640117 330777884 /nfs/dbraw/zinc/77/78/84/330777884.db2.gz AWOSVGNXMJXALX-VXGBXAGGSA-N 0 3 287.388 3.493 20 30 CGEDHN CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442649600 330778177 /nfs/dbraw/zinc/77/81/77/330778177.db2.gz NDFYVNHIELSSJT-GDBMZVCRSA-N 0 3 285.391 3.063 20 30 CGEDHN CC1CCN(c2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cn2)CC1 ZINC000442715073 330780500 /nfs/dbraw/zinc/78/05/00/330780500.db2.gz KWZLYKDVQWVLIN-NVXWUHKLSA-N 0 3 298.434 3.100 20 30 CGEDHN CC(C)c1ccc(OCCN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442785287 330783084 /nfs/dbraw/zinc/78/30/84/330783084.db2.gz RNDIFAZJWAFCFM-GDBMZVCRSA-N 0 3 272.392 3.471 20 30 CGEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000442832235 330785846 /nfs/dbraw/zinc/78/58/46/330785846.db2.gz YEWCRTFXTCRUGC-JFILPPLUSA-N 0 3 276.355 3.184 20 30 CGEDHN CO[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000442888080 330790766 /nfs/dbraw/zinc/79/07/66/330790766.db2.gz DOTJCSZRJNUVPP-BYCMXARLSA-N 0 3 278.783 3.309 20 30 CGEDHN C=C(C)CNC1(c2cccc(OC)c2F)CCOCC1 ZINC000447353024 330865444 /nfs/dbraw/zinc/86/54/44/330865444.db2.gz CVXVSFNWOMNNAW-UHFFFAOYSA-N 0 3 279.355 3.006 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@@H](CC)C1 ZINC000449146448 330901739 /nfs/dbraw/zinc/90/17/39/330901739.db2.gz CICZOBFQWVWUOT-HOTGVXAUSA-N 0 3 275.392 3.299 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC(F)F)cc1 ZINC000449546846 330935425 /nfs/dbraw/zinc/93/54/25/330935425.db2.gz DZSUAPJXALDKBA-KGLIPLIRSA-N 0 3 283.318 3.111 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)ccc1OC ZINC000449549358 330935960 /nfs/dbraw/zinc/93/59/60/330935960.db2.gz XDPFDBFWKWOWSF-KGLIPLIRSA-N 0 3 281.783 3.172 20 30 CGEDHN C=C(CC)CNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000449730013 330946051 /nfs/dbraw/zinc/94/60/51/330946051.db2.gz CGXHTTQOMFJEIN-LBPRGKRZSA-N 0 3 261.365 3.074 20 30 CGEDHN C=C(C)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451555029 331034114 /nfs/dbraw/zinc/03/41/14/331034114.db2.gz ASUUHAXFSNHAMA-AWEZNQCLSA-N 0 3 260.337 3.350 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451554482 331034260 /nfs/dbraw/zinc/03/42/60/331034260.db2.gz ZZCTUBSJIHNHPA-KMFMINBZSA-N 0 3 299.374 3.466 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)cccc1Cl ZINC000451679473 331038848 /nfs/dbraw/zinc/03/88/48/331038848.db2.gz HIBMDZDCTPSHIY-CABCVRRESA-N 0 3 265.784 3.472 20 30 CGEDHN CO[C@@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000451834118 331044075 /nfs/dbraw/zinc/04/40/75/331044075.db2.gz ADSUKGVKPHUINK-DLBZAZTESA-N 0 3 287.378 3.067 20 30 CGEDHN CC[C@@H](C)N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000451844069 331044456 /nfs/dbraw/zinc/04/44/56/331044456.db2.gz OEEOGNXJBYEWQG-OAHLLOKOSA-N 0 3 290.838 3.108 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000453352015 331120706 /nfs/dbraw/zinc/12/07/06/331120706.db2.gz KNWLEYJDTOAKIN-HOCLYGCPSA-N 0 3 287.403 3.350 20 30 CGEDHN CC#CCCNCc1sc(C)cc1Br ZINC000453576023 331134650 /nfs/dbraw/zinc/13/46/50/331134650.db2.gz UNGTWFWPLUMWAJ-UHFFFAOYSA-N 0 3 272.211 3.322 20 30 CGEDHN CC(C)(CC#N)CNCc1cc2ccc(F)cc2[nH]1 ZINC000459731184 331296606 /nfs/dbraw/zinc/29/66/06/331296606.db2.gz MURRNPSROGPUML-UHFFFAOYSA-N 0 3 259.328 3.336 20 30 CGEDHN CC(C)c1ccc(C[C@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000461710581 331314028 /nfs/dbraw/zinc/31/40/28/331314028.db2.gz SIUYSGDEIPSEKW-GOEBONIOSA-N 0 3 284.403 3.361 20 30 CGEDHN CC#CCN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000464780615 331367301 /nfs/dbraw/zinc/36/73/01/331367301.db2.gz RNQRZZJPLUDFIJ-SFHVURJKSA-N 0 3 271.404 3.042 20 30 CGEDHN C=CCOCCCN1CCN(c2cccc(C)c2C)CC1 ZINC000470720408 331488246 /nfs/dbraw/zinc/48/82/46/331488246.db2.gz UPUCGEUXXWAKKS-UHFFFAOYSA-N 0 3 288.435 3.018 20 30 CGEDHN C=CCCCC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000481319395 331804004 /nfs/dbraw/zinc/80/40/04/331804004.db2.gz UJRHQFZFICXMMT-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000485125395 331909878 /nfs/dbraw/zinc/90/98/78/331909878.db2.gz PZCNUJSEISJEIX-UHFFFAOYSA-N 0 3 281.403 3.323 20 30 CGEDHN C=C(CNC(=O)c1ccccc1CN(C)C)c1ccccc1 ZINC000488903416 332032952 /nfs/dbraw/zinc/03/29/52/332032952.db2.gz ADRHTKRESSJWHM-UHFFFAOYSA-N 0 3 294.398 3.191 20 30 CGEDHN C=C[C@@H]1CCCCN1CCOc1cccc(OC)c1 ZINC000489446657 332052642 /nfs/dbraw/zinc/05/26/42/332052642.db2.gz IHIPEYKOWOJWSB-CQSZACIVSA-N 0 3 261.365 3.115 20 30 CGEDHN C=C[C@H]1CCCCN1CCCC(=O)OC(C)(C)C ZINC000489442263 332052794 /nfs/dbraw/zinc/05/27/94/332052794.db2.gz VXUQLPAODOMFED-ZDUSSCGKSA-N 0 3 253.386 3.149 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)N1CCc2ccccc21 ZINC000489442838 332052827 /nfs/dbraw/zinc/05/28/27/332052827.db2.gz BJYXQAYLTUEVQH-MRXNPFEDSA-N 0 3 284.403 3.006 20 30 CGEDHN C=C[C@@H]1CCCCN1CCc1ccc2c(c1)OCCO2 ZINC000489483920 332055559 /nfs/dbraw/zinc/05/55/59/332055559.db2.gz FSBDOBLFKUMVJF-OAHLLOKOSA-N 0 3 273.376 3.041 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000491133955 332155005 /nfs/dbraw/zinc/15/50/05/332155005.db2.gz USAFDMLLZZYZAF-HOTGVXAUSA-N 0 3 286.419 3.150 20 30 CGEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000491554755 332237085 /nfs/dbraw/zinc/23/70/85/332237085.db2.gz LUYIYFPSBLIKKT-ZFWWWQNUSA-N 0 3 272.392 3.022 20 30 CGEDHN C#C[C@H](N[C@H]1CCCOCC1)c1ccc(Cl)cc1 ZINC000491630701 332253308 /nfs/dbraw/zinc/25/33/08/332253308.db2.gz NLSJEICCWSYCKP-GJZGRUSLSA-N 0 3 263.768 3.173 20 30 CGEDHN C#C[C@@H](N[C@@H]1CCCOCC1)c1ccc(Cl)cc1 ZINC000491630704 332253325 /nfs/dbraw/zinc/25/33/25/332253325.db2.gz NLSJEICCWSYCKP-HUUCEWRRSA-N 0 3 263.768 3.173 20 30 CGEDHN C#C[C@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000491677628 332282445 /nfs/dbraw/zinc/28/24/45/332282445.db2.gz QZJFIBJMVDDQIB-OJDYBEQGSA-N 0 3 261.340 3.046 20 30 CGEDHN C#C[C@@H](NCC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000491688983 332286496 /nfs/dbraw/zinc/28/64/96/332286496.db2.gz GAAVSRSSWWXZAG-IUODEOHRSA-N 0 3 263.768 3.031 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000185740937 333147872 /nfs/dbraw/zinc/14/78/72/333147872.db2.gz MFPQPBHDMYIMCP-HOCLYGCPSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](CO)C/C=C/C)cc1Cl ZINC000185810622 333149358 /nfs/dbraw/zinc/14/93/58/333149358.db2.gz GFBWOPWZQFUBNU-LYKUJDHUSA-N 0 3 295.810 3.322 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000186367233 333159588 /nfs/dbraw/zinc/15/95/88/333159588.db2.gz HZDCPFGCIWMBMX-QZTJIDSGSA-N 0 3 289.394 3.361 20 30 CGEDHN C=CCN(C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000189706064 333198244 /nfs/dbraw/zinc/19/82/44/333198244.db2.gz WHABFONNNYWZTO-UHFFFAOYSA-N 0 3 261.365 3.260 20 30 CGEDHN C[C@@H]1CSCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000190462685 333207082 /nfs/dbraw/zinc/20/70/82/333207082.db2.gz JPBGZJAARKZLBD-ZDUSSCGKSA-N 0 3 279.836 3.376 20 30 CGEDHN C[C@H]1CSCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000190462665 333207242 /nfs/dbraw/zinc/20/72/42/333207242.db2.gz JPBGZJAARKZLBD-CYBMUJFWSA-N 0 3 279.836 3.376 20 30 CGEDHN CCCN(CC#Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000192101803 333229624 /nfs/dbraw/zinc/22/96/24/333229624.db2.gz SUTVRZWQPKAZFF-SFHVURJKSA-N 0 3 271.404 3.319 20 30 CGEDHN C=CCNC1(c2ccc(Br)cc2)CCOCC1 ZINC000194313037 333268897 /nfs/dbraw/zinc/26/88/97/333268897.db2.gz PVABFOWSOMVXNC-UHFFFAOYSA-N 0 3 296.208 3.230 20 30 CGEDHN CC1(C#N)CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000228053589 333293913 /nfs/dbraw/zinc/29/39/13/333293913.db2.gz KPHPUDLTHVUGSJ-HNNXBMFYSA-N 0 3 276.424 3.494 20 30 CGEDHN CC[C@@H](CC#N)NC[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000230944032 333323000 /nfs/dbraw/zinc/32/30/00/333323000.db2.gz WZKSQXLHEJGRHN-KBPBESRZSA-N 0 3 297.443 3.065 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000528755708 333455782 /nfs/dbraw/zinc/45/57/82/333455782.db2.gz HSTSWDIUFOTBEH-OQMKEHIESA-N 0 3 277.795 3.093 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000540416538 333729316 /nfs/dbraw/zinc/72/93/16/333729316.db2.gz RTEYBCAJVBNSTP-INIZCTEOSA-N 0 3 288.435 3.379 20 30 CGEDHN Cc1cccnc1[C@@H]1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000546699237 334046835 /nfs/dbraw/zinc/04/68/35/334046835.db2.gz XWPFMORQXWFPHG-CABCVRRESA-N 0 3 269.392 3.310 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)C[C@H]1CCCOC1 ZINC000135062678 334114188 /nfs/dbraw/zinc/11/41/88/334114188.db2.gz DLOJLBDWWWGEDP-CQSZACIVSA-N 0 3 277.795 3.050 20 30 CGEDHN N#CCC[C@H](C#N)CNC[C@H]1CCCc2ccccc21 ZINC000548782240 334173801 /nfs/dbraw/zinc/17/38/01/334173801.db2.gz PIUYMEBWPFJECW-GDBMZVCRSA-N 0 3 267.376 3.140 20 30 CGEDHN C=CCCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000549131754 334185891 /nfs/dbraw/zinc/18/58/91/334185891.db2.gz YTZONEGQCXMRMO-UHFFFAOYSA-N 0 3 299.340 3.189 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000551423610 334250190 /nfs/dbraw/zinc/25/01/90/334250190.db2.gz NVTGOTACZREBRM-SJORKVTESA-N 0 3 289.806 3.335 20 30 CGEDHN C=CCN(CCOC)Cc1ccc2cc(OC)ccc2c1 ZINC000553653504 334394505 /nfs/dbraw/zinc/39/45/05/334394505.db2.gz XRBQKAXTULUDFA-UHFFFAOYSA-N 0 3 285.387 3.483 20 30 CGEDHN C=CC[C@H](CC)NCc1cc(OC)c(OC)cc1F ZINC000568034007 334786387 /nfs/dbraw/zinc/78/63/87/334786387.db2.gz FBWOIVUOTANJDL-LBPRGKRZSA-N 0 3 267.344 3.287 20 30 CGEDHN COc1cc2c(cc1CNCC(C)(C)CC#N)O[C@H](C)C2 ZINC000568727666 334837861 /nfs/dbraw/zinc/83/78/61/334837861.db2.gz VZVVMZCFEMFPEX-GFCCVEGCSA-N 0 3 288.391 3.048 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CSC[C@@H]1C ZINC000295151407 334902214 /nfs/dbraw/zinc/90/22/14/334902214.db2.gz JQWPCOHWTCHCTA-GXTWGEPZSA-N 0 3 263.406 3.093 20 30 CGEDHN C=CCCCCCNC(=O)Nc1ccccc1CNC ZINC000576767795 335246051 /nfs/dbraw/zinc/24/60/51/335246051.db2.gz QSUACZWZKWCDOM-UHFFFAOYSA-N 0 3 275.396 3.274 20 30 CGEDHN C=CCNC(=O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000179797714 335519724 /nfs/dbraw/zinc/51/97/24/335519724.db2.gz XZPFSVBNLYNKCH-OAHLLOKOSA-N 0 3 274.408 3.056 20 30 CGEDHN C=CCOCCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000581239068 336029428 /nfs/dbraw/zinc/02/94/28/336029428.db2.gz FIHWAQAKAUWBMS-DVQDXYAYSA-N 0 3 257.377 3.367 20 30 CGEDHN CCn1c2ccccc2nc1CNCC(C)(C)CCC#N ZINC000581511725 336092255 /nfs/dbraw/zinc/09/22/55/336092255.db2.gz ZGZYPOYZLWHAJW-UHFFFAOYSA-N 0 3 284.407 3.476 20 30 CGEDHN C=CC(C)(C)CNCc1c(OC)cc(OC)cc1OC ZINC000384877352 336133417 /nfs/dbraw/zinc/13/34/17/336133417.db2.gz SQCVWZDHWYLWBI-UHFFFAOYSA-N 0 3 279.380 3.014 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)nc1 ZINC000581832120 336149515 /nfs/dbraw/zinc/14/95/15/336149515.db2.gz VEJFPHQKBITBBU-HNNXBMFYSA-N 0 3 295.361 3.157 20 30 CGEDHN C=CCCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000581984593 336184592 /nfs/dbraw/zinc/18/45/92/336184592.db2.gz OTBQISCKYJMCJF-IRXDYDNUSA-N 0 3 277.383 3.143 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CC(C)(C)C1)C(C)C ZINC000512339124 500577972 /nfs/dbraw/zinc/57/79/72/500577972.db2.gz PVWVSAHUXAGCBI-MRXNPFEDSA-N 0 3 292.467 3.237 20 30 CGEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1ccncc1F ZINC000336215973 533804704 /nfs/dbraw/zinc/80/47/04/533804704.db2.gz SHIJSNOTKJSSOX-BZUNDVKYSA-N 0 3 261.344 3.344 20 30 CGEDHN C[C@H](NCCC1CCOCC1)c1ccc(C#N)cc1F ZINC000358571732 533842307 /nfs/dbraw/zinc/84/23/07/533842307.db2.gz POWNJWKCMRTEEY-LBPRGKRZSA-N 0 3 276.355 3.165 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOC1CCC1 ZINC000425542505 534078088 /nfs/dbraw/zinc/07/80/88/534078088.db2.gz YFOALNSSLFVUCZ-ZDUSSCGKSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCO[C@H]1CCCCO1 ZINC000425537747 534078806 /nfs/dbraw/zinc/07/88/06/534078806.db2.gz QZAPDDNEQNWYKT-YOEHRIQHSA-N 0 3 288.391 3.094 20 30 CGEDHN COc1cc(C)ccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000582344376 519095881 /nfs/dbraw/zinc/09/58/81/519095881.db2.gz JCTBWGIQEZUQIA-CYBMUJFWSA-N 0 3 258.365 3.348 20 30 CGEDHN CC#CCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000185035775 519334460 /nfs/dbraw/zinc/33/44/60/519334460.db2.gz BVFVJRQMQDVQSK-GOSISDBHSA-N 0 3 298.430 3.133 20 30 CGEDHN C=CCC1(C(=O)NC[C@H](c2ccccc2)N(C)C)CCC1 ZINC000190494308 534590009 /nfs/dbraw/zinc/59/00/09/534590009.db2.gz NOWVFAJKFOLVFU-MRXNPFEDSA-N 0 3 286.419 3.152 20 30 CGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000052660326 522086999 /nfs/dbraw/zinc/08/69/99/522086999.db2.gz ZDUQXWLHHZOGQE-GOSISDBHSA-N 0 3 297.377 3.090 20 30 CGEDHN CC[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000157570083 523089999 /nfs/dbraw/zinc/08/99/99/523089999.db2.gz UCTFQJOUFFPMCI-AWEZNQCLSA-N 0 3 288.391 3.068 20 30 CGEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1C1CCC1 ZINC000428211335 534763866 /nfs/dbraw/zinc/76/38/66/534763866.db2.gz WXXRRFSQGLSKIC-MRXNPFEDSA-N 0 3 258.340 3.462 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000368620868 534785502 /nfs/dbraw/zinc/78/55/02/534785502.db2.gz FRFPBGVJIGGFHA-MRXNPFEDSA-N 0 3 295.361 3.157 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccccc1N(C)C ZINC000093942205 525534278 /nfs/dbraw/zinc/53/42/78/525534278.db2.gz SNHSVMDMMNFSSP-CQSZACIVSA-N 0 3 279.387 3.475 20 30 CGEDHN C=C(C)CCN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000352011468 526445596 /nfs/dbraw/zinc/44/55/96/526445596.db2.gz BPFBLPBVRJYGMJ-INIZCTEOSA-N 0 3 258.409 3.159 20 30 CGEDHN C=C(C)CCN[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352409449 526455892 /nfs/dbraw/zinc/45/58/92/526455892.db2.gz ZUZGTVFQBAJRTL-KRWDZBQOSA-N 0 3 291.391 3.029 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978336 526546720 /nfs/dbraw/zinc/54/67/20/526546720.db2.gz RBYLFVUPKYKOHH-UHFFFAOYSA-N 0 3 264.325 3.001 20 30 CGEDHN C=CCC[C@H](NCCCNC(=O)C(C)C)c1ccco1 ZINC000353622275 527484336 /nfs/dbraw/zinc/48/43/36/527484336.db2.gz NIFZSXZYGDWJLU-AWEZNQCLSA-N 0 3 278.396 3.039 20 30 CGEDHN CCCCN(Cc1ccccc1F)C(=O)C(C)C#N ZINC000347079994 528445931 /nfs/dbraw/zinc/44/59/31/528445931.db2.gz WATKOCOWTLTMGI-GFCCVEGCSA-N 0 3 262.328 3.114 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437419151 528770012 /nfs/dbraw/zinc/77/00/12/528770012.db2.gz NIWXUCGIKGOJLJ-UHFFFAOYSA-N 0 3 266.291 3.144 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NC(=O)C(C)C#N)c2ccccc21 ZINC000344984441 528784650 /nfs/dbraw/zinc/78/46/50/528784650.db2.gz QVSPSOCIRDGZHO-UGFHNGPFSA-N 0 3 256.349 3.147 20 30 CGEDHN CCCC[C@@H](NCc1nc(C#N)cs1)C1CCC1 ZINC000356304349 528857645 /nfs/dbraw/zinc/85/76/45/528857645.db2.gz XNVPMLHBZFAUIX-CYBMUJFWSA-N 0 3 263.410 3.463 20 30 CGEDHN CCCC[C@H](NC(=O)C(C)C#N)c1ccc(OC)cc1 ZINC000347132804 528981358 /nfs/dbraw/zinc/98/13/58/528981358.db2.gz KCXDUUPUUIHUMW-DOMZBBRYSA-N 0 3 274.364 3.202 20 30 CGEDHN C[C@@H]1C[C@@H](C)N(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000740859862 571886311 /nfs/dbraw/zinc/88/63/11/571886311.db2.gz NQDKONKUUYTIEM-ZIAGYGMSSA-N 0 3 280.375 3.110 20 30 CGEDHN CCCCCCCCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000729585977 571925353 /nfs/dbraw/zinc/92/53/53/571925353.db2.gz CCWCOQGKIYXOQO-INIZCTEOSA-N 0 3 297.487 3.473 20 30 CGEDHN CN(CCOc1cccc(C#N)c1)CCc1ccccc1F ZINC000731672463 572421461 /nfs/dbraw/zinc/42/14/61/572421461.db2.gz QRKXMKNMSFLUPJ-UHFFFAOYSA-N 0 3 298.361 3.251 20 30 CGEDHN CCCCCCCN1CCN(c2ccccn2)CC1 ZINC000740873864 572464138 /nfs/dbraw/zinc/46/41/38/572464138.db2.gz KBASXVCNFGWUGU-UHFFFAOYSA-N 0 3 261.413 3.174 20 30 CGEDHN C#CCOc1ccccc1CN[C@H]1C[C@H]1Cc1ccccc1 ZINC000742375863 572570518 /nfs/dbraw/zinc/57/05/18/572570518.db2.gz WYDZHNASRMVFAN-MOPGFXCFSA-N 0 3 291.394 3.419 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@@H](C)OC)c([O-])c1 ZINC000726429779 572576516 /nfs/dbraw/zinc/57/65/16/572576516.db2.gz RCCGMDZHGUIURX-LVLBFHFTSA-N 0 3 278.396 3.082 20 30 CGEDHN CCN(CCCOc1ccc(C#N)cc1)Cc1ccoc1 ZINC000726598411 572587637 /nfs/dbraw/zinc/58/76/37/572587637.db2.gz RSPYVVMEKHJIMS-UHFFFAOYSA-N 0 3 284.359 3.442 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccn2C)c([O-])c1 ZINC000743501615 572667656 /nfs/dbraw/zinc/66/76/56/572667656.db2.gz OTRVSEPLANGKCS-LDADJPATSA-N 0 3 285.391 3.196 20 30 CGEDHN CC(=NNc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000743525595 572669164 /nfs/dbraw/zinc/66/91/64/572669164.db2.gz IANDULOTIIKZFI-UHFFFAOYSA-N 0 3 297.402 3.463 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC(C)C)nc21 ZINC000735788305 572739763 /nfs/dbraw/zinc/73/97/63/572739763.db2.gz DFLYMLUNQQNQJB-LBPRGKRZSA-N 0 3 269.348 3.484 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC(C)C)[nH]c21 ZINC000735788305 572739766 /nfs/dbraw/zinc/73/97/66/572739766.db2.gz DFLYMLUNQQNQJB-LBPRGKRZSA-N 0 3 269.348 3.484 20 30 CGEDHN C=CCOc1cccc(CN[C@@](C)(CC)CC(=O)OC)c1 ZINC000748242296 572970028 /nfs/dbraw/zinc/97/00/28/572970028.db2.gz KTQPPWRKUSAQBP-KRWDZBQOSA-N 0 3 291.391 3.073 20 30 CGEDHN CCCCCCC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825270668 608483774 /nfs/dbraw/zinc/48/37/74/608483774.db2.gz BFHIPRYJTPUCLL-CYBMUJFWSA-N 0 3 287.411 3.488 20 30 CGEDHN CCCCCCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825270668 608483776 /nfs/dbraw/zinc/48/37/76/608483776.db2.gz BFHIPRYJTPUCLL-CYBMUJFWSA-N 0 3 287.411 3.488 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000970938552 613301598 /nfs/dbraw/zinc/30/15/98/613301598.db2.gz RJLFPMQHMNOSDM-LSDHHAIUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC000970944335 613303498 /nfs/dbraw/zinc/30/34/98/613303498.db2.gz GQBAYKYQRJITHW-AWEZNQCLSA-N 0 3 298.430 3.190 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565597 613333985 /nfs/dbraw/zinc/33/39/85/613333985.db2.gz HNJHSTOKDMLPSQ-LUKYLMHMSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000980325442 613625364 /nfs/dbraw/zinc/62/53/64/613625364.db2.gz NUMVNGZUEGQNJX-CQSZACIVSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000969018176 613683224 /nfs/dbraw/zinc/68/32/24/613683224.db2.gz XJYPRZTUFKPHAP-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cscc2Cl)C[C@@H]1C ZINC000947427312 613760391 /nfs/dbraw/zinc/76/03/91/613760391.db2.gz ZZGUIOAPLNNQFM-WDEREUQCSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000940547125 613792323 /nfs/dbraw/zinc/79/23/23/613792323.db2.gz FSKDXTWNPIXJQE-INIZCTEOSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cscc2Cl)[C@H](C)C1 ZINC000942155696 613799581 /nfs/dbraw/zinc/79/95/81/613799581.db2.gz KEAKXMMFZRDFOA-MFKMUULPSA-N 0 3 298.839 3.028 20 30 CGEDHN C#CCOCCN[C@H](C)c1csc(C(F)(F)F)c1 ZINC000926146191 618173985 /nfs/dbraw/zinc/17/39/85/618173985.db2.gz ZYUSODIXQOMZLO-SECBINFHSA-N 0 3 277.311 3.067 20 30 CGEDHN CCON=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841615578 618217495 /nfs/dbraw/zinc/21/74/95/618217495.db2.gz CFTQPNHCWIYCAG-INIZCTEOSA-N 0 3 258.365 3.378 20 30 CGEDHN CO[C@@H]1CC[C@H]1N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000934110283 618469769 /nfs/dbraw/zinc/46/97/69/618469769.db2.gz XUBVWHJAMUIHQW-ZIAGYGMSSA-N 0 3 298.308 3.186 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)C1(Br)CC1 ZINC000926550288 618734321 /nfs/dbraw/zinc/73/43/21/618734321.db2.gz LMPWSNVCRGNWCI-VIFPVBQESA-N 0 3 297.171 3.103 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1cc(O)cc(F)c1 ZINC000926570858 618748553 /nfs/dbraw/zinc/74/85/53/618748553.db2.gz ZRNFQUVQFIYMTI-SNVBAGLBSA-N 0 3 250.317 3.122 20 30 CGEDHN C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc([O-])cc(F)c1 ZINC000926570858 618748554 /nfs/dbraw/zinc/74/85/54/618748554.db2.gz ZRNFQUVQFIYMTI-SNVBAGLBSA-N 0 3 250.317 3.122 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(Br)cc1C ZINC000309166534 618765751 /nfs/dbraw/zinc/76/57/51/618765751.db2.gz JGDBPFXWAWWSRU-ZDUSSCGKSA-N 0 3 266.182 3.259 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccnn1CC1CCC1 ZINC000926614360 618775014 /nfs/dbraw/zinc/77/50/14/618775014.db2.gz JIHVBBVIHMYNFG-AEGPPILISA-N 0 3 272.396 3.026 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1cc2ccccc2c(OC)c1 ZINC000926728441 618845816 /nfs/dbraw/zinc/84/58/16/618845816.db2.gz UOOBPQDXOCSPPT-IUODEOHRSA-N 0 3 271.360 3.046 20 30 CGEDHN C#CCCCNCc1nc(-c2cccc(OC)c2)cs1 ZINC000893092194 618992976 /nfs/dbraw/zinc/99/29/76/618992976.db2.gz JBYILZGHVCOMFJ-UHFFFAOYSA-N 0 3 286.400 3.322 20 30 CGEDHN C=CC1(OC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000893358080 619131972 /nfs/dbraw/zinc/13/19/72/619131972.db2.gz BPXVPNKRRVRUIX-UHFFFAOYSA-N 0 3 285.387 3.160 20 30 CGEDHN C=C(C)[C@@H](NC1CCS(=O)CC1)c1ccc(F)c(F)c1 ZINC000893668876 619275361 /nfs/dbraw/zinc/27/53/61/619275361.db2.gz PWRJXFHNAYWQNC-JMIWNEQFSA-N 0 3 299.386 3.083 20 30 CGEDHN C=CCCCCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000894833377 619647372 /nfs/dbraw/zinc/64/73/72/619647372.db2.gz SURAPVXVJABVLE-HOTGVXAUSA-N 0 3 293.455 3.001 20 30 CGEDHN CC(C)(CC#N)CNCc1cc(O)cc(Cl)c1 ZINC000894856544 619654497 /nfs/dbraw/zinc/65/44/97/619654497.db2.gz VVZUQFMRAVEVAJ-UHFFFAOYSA-N 0 3 252.745 3.075 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](c3cccnc3)C2)cs1 ZINC000895099138 619728077 /nfs/dbraw/zinc/72/80/77/619728077.db2.gz YIDQNBXHQCHGBM-AWEZNQCLSA-N 0 3 269.373 3.004 20 30 CGEDHN COCC1(C2CCC2)CN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000895347378 619808693 /nfs/dbraw/zinc/80/86/93/619808693.db2.gz WJZKSYDIRQGTIG-UHFFFAOYSA-N 0 3 298.430 3.424 20 30 CGEDHN N#Cc1c(F)cccc1CNCC1C[C@H]2CC[C@@H](C1)S2 ZINC000896261289 619983107 /nfs/dbraw/zinc/98/31/07/619983107.db2.gz DDCSYTZKLVVESX-QXMXGUDHSA-N 0 3 290.407 3.461 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccccc1Cl ZINC000883389184 619985542 /nfs/dbraw/zinc/98/55/42/619985542.db2.gz LYKBFEPHLXKXKL-VXGBXAGGSA-N 0 3 253.773 3.318 20 30 CGEDHN C#Cc1cncc(-c2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000896560286 620027125 /nfs/dbraw/zinc/02/71/25/620027125.db2.gz OMPKSMHARQTVDS-FRRDWIJNSA-N 0 3 296.374 3.047 20 30 CGEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccncc2)c1 ZINC000073012142 625407180 /nfs/dbraw/zinc/40/71/80/625407180.db2.gz JQCHOQJJVVDTOK-MRXNPFEDSA-N 0 3 281.359 3.052 20 30 CGEDHN CC[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)CC1 ZINC000897630434 620414565 /nfs/dbraw/zinc/41/45/65/620414565.db2.gz YPDKPUOWDZAVRS-NWDGAFQWSA-N 0 3 263.410 3.463 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cc(C(F)(F)F)n(C)n2)C1 ZINC000898020699 620467885 /nfs/dbraw/zinc/46/78/85/620467885.db2.gz FIYMJCLSNUJZQR-WDEREUQCSA-N 0 3 287.329 3.273 20 30 CGEDHN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193401035 620517809 /nfs/dbraw/zinc/51/78/09/620517809.db2.gz LRASFLLUDAXVPQ-CABZTGNLSA-N 0 3 278.739 3.033 20 30 CGEDHN C[C@@H](NC1([C@H]2CCCCO2)CCC1)c1cc(C#N)ccn1 ZINC000903081685 621562065 /nfs/dbraw/zinc/56/20/65/621562065.db2.gz XACKFNNTMMZFSG-CZUORRHYSA-N 0 3 285.391 3.096 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCC(C)(C)C#N)C1(C)C ZINC000903101518 621573963 /nfs/dbraw/zinc/57/39/63/621573963.db2.gz HXMDDBHLRMVPRQ-NWDGAFQWSA-N 0 3 252.402 3.108 20 30 CGEDHN Cc1ccccc1C[C@@H](NCC1(C#N)CC1)C1CC1 ZINC000903106398 621579841 /nfs/dbraw/zinc/57/98/41/621579841.db2.gz PDZSZTJVDNRZOA-MRXNPFEDSA-N 0 3 254.377 3.210 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1nc(C#N)cs1 ZINC000903263345 621648830 /nfs/dbraw/zinc/64/88/30/621648830.db2.gz MJKQOORDGXAFRJ-LOWVWBTDSA-N 0 3 263.410 3.319 20 30 CGEDHN C[C@@H](NCCCOc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000903445342 621756805 /nfs/dbraw/zinc/75/68/05/621756805.db2.gz HGGRCPAZDQNTIG-CYBMUJFWSA-N 0 3 299.349 3.212 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000912230344 622621149 /nfs/dbraw/zinc/62/11/49/622621149.db2.gz MRVPFVJLSVXKHQ-HNNXBMFYSA-N 0 3 299.374 3.272 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000912257668 622621345 /nfs/dbraw/zinc/62/13/45/622621345.db2.gz AJMLHEBIBGCUOG-HNNXBMFYSA-N 0 3 276.380 3.096 20 30 CGEDHN COc1ccc(CNCc2ccc(C)cc2)cc1C#N ZINC000087822439 623245223 /nfs/dbraw/zinc/24/52/23/623245223.db2.gz AVSQVAGIQCMKRR-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000925406978 623704722 /nfs/dbraw/zinc/70/47/22/623704722.db2.gz IYTMFHCTOWAIJQ-ZFWWWQNUSA-N 0 3 260.381 3.292 20 30 CGEDHN C=CCN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993083517 623828144 /nfs/dbraw/zinc/82/81/44/623828144.db2.gz UOLXZIUGITVFAB-GOEBONIOSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993186351 623910070 /nfs/dbraw/zinc/91/00/70/623910070.db2.gz PJGDXMBCRRIDPD-KGLIPLIRSA-N 0 3 292.467 3.214 20 30 CGEDHN CCCCCCCCCNC(=S)NC1CCN(C)CC1 ZINC000920310098 624468406 /nfs/dbraw/zinc/46/84/06/624468406.db2.gz SRHFSAQOWKAJNK-UHFFFAOYSA-N 0 3 299.528 3.295 20 30 CGEDHN CCCCCCCCCN(C)C(=O)NC[C@@H]1CCCN1C ZINC000920813227 624543275 /nfs/dbraw/zinc/54/32/75/624543275.db2.gz DDFURTRJOPQHIL-INIZCTEOSA-N 0 3 297.487 3.473 20 30 CGEDHN CC(C)(C)Oc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000873518152 634400124 /nfs/dbraw/zinc/40/01/24/634400124.db2.gz DLFZQJQPXCSBMA-AWEZNQCLSA-N 0 3 295.342 3.144 20 30 CGEDHN C#CCSCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000181095085 624808519 /nfs/dbraw/zinc/80/85/19/624808519.db2.gz YPFDKTLDQUHJBB-NSHDSACASA-N 0 3 283.824 3.366 20 30 CGEDHN Cc1cncc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182084506 624938439 /nfs/dbraw/zinc/93/84/39/624938439.db2.gz RVPIXODPKSHHTD-CQSZACIVSA-N 0 3 281.359 3.143 20 30 CGEDHN COc1ccc(O)c([C@@H](C)NCC#Cc2ccc(F)cc2)c1 ZINC000182357209 624987993 /nfs/dbraw/zinc/98/79/93/624987993.db2.gz MNJYAYOIUSTKSR-CYBMUJFWSA-N 0 3 299.345 3.242 20 30 CGEDHN COc1ccc(O)c([C@H](C)NCC#Cc2ccc(F)cc2)c1 ZINC000182357194 624988241 /nfs/dbraw/zinc/98/82/41/624988241.db2.gz MNJYAYOIUSTKSR-ZDUSSCGKSA-N 0 3 299.345 3.242 20 30 CGEDHN C=CCCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183173849 625050858 /nfs/dbraw/zinc/05/08/58/625050858.db2.gz GZZORRYOJGRZKY-INIZCTEOSA-N 0 3 273.376 3.160 20 30 CGEDHN CCOC(=O)/C=C/CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000756094312 625779761 /nfs/dbraw/zinc/77/97/61/625779761.db2.gz RDCSTTULJFOIMJ-UZYOAWRESA-N 0 3 286.375 3.060 20 30 CGEDHN COc1ccc(CNCc2ccc(OCC#N)cc2)c(C)c1 ZINC000921693702 625845143 /nfs/dbraw/zinc/84/51/43/625845143.db2.gz NSIBPWIAWOSIHX-UHFFFAOYSA-N 0 3 296.370 3.196 20 30 CGEDHN Cc1cccc(O[C@@H](C)CNCc2csc(C#N)c2)c1 ZINC000921787075 625875454 /nfs/dbraw/zinc/87/54/54/625875454.db2.gz HVPWCMSSLNHILY-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1nccs1 ZINC000922598873 626018154 /nfs/dbraw/zinc/01/81/54/626018154.db2.gz BEBGBBVGQVNFCW-UHFFFAOYSA-N 0 3 271.389 3.126 20 30 CGEDHN COc1ccc(CNC(C)(C)/C=C/Cl)cc1C#N ZINC000922649435 626025830 /nfs/dbraw/zinc/02/58/30/626025830.db2.gz VWYUOCVGJNIFML-VOTSOKGWSA-N 0 3 264.756 3.188 20 30 CGEDHN COc1cc(C)c(CNCc2ccc(C)c(C#N)c2)c(C)n1 ZINC000922759847 626042770 /nfs/dbraw/zinc/04/27/70/626042770.db2.gz WFBPTQZHPKBNSN-UHFFFAOYSA-N 0 3 295.386 3.177 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000751482386 626392692 /nfs/dbraw/zinc/39/26/92/626392692.db2.gz LVFHRTJFORSXGS-GOSISDBHSA-N 0 3 293.370 3.321 20 30 CGEDHN CC(C)N1CC(N=Nc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000754257826 626565253 /nfs/dbraw/zinc/56/52/53/626565253.db2.gz FHHGEIPYZFEADQ-SECBINFHSA-N 0 3 285.313 3.232 20 30 CGEDHN CCCCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000754853395 626590235 /nfs/dbraw/zinc/59/02/35/626590235.db2.gz HPNXMVNWIWPFEL-CQSZACIVSA-N 0 3 256.434 3.049 20 30 CGEDHN C=C(CC)COC(=O)C(C)(C)N(C)C1CCCC1 ZINC000754872100 626591815 /nfs/dbraw/zinc/59/18/15/626591815.db2.gz MUXIPOUDPIILTI-UHFFFAOYSA-N 0 3 253.386 3.149 20 30 CGEDHN CCCCCCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000755075849 626599505 /nfs/dbraw/zinc/59/95/05/626599505.db2.gz QSFSCYFKTRXDAX-INIZCTEOSA-N 0 3 293.455 3.003 20 30 CGEDHN CC(C)(C=Nn1cnnc1-c1ccccc1)CCC#N ZINC000755617169 626631907 /nfs/dbraw/zinc/63/19/07/626631907.db2.gz HNKYAOPCVDANLR-UHFFFAOYSA-N 0 3 267.336 3.109 20 30 CGEDHN CC(=O)C(C)(C)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000755752444 626642727 /nfs/dbraw/zinc/64/27/27/626642727.db2.gz XINZAMNJFZEWSS-GFCCVEGCSA-N 0 3 298.342 3.399 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc2ccccc2n1 ZINC000755872711 626655361 /nfs/dbraw/zinc/65/53/61/626655361.db2.gz SDJDMHMJPAKHHH-GFCCVEGCSA-N 0 3 280.375 3.117 20 30 CGEDHN Cc1cc(C)cc(N=NC2CN(C3CC3)C[C@@H]2C)c1 ZINC000755886095 626656225 /nfs/dbraw/zinc/65/62/25/626656225.db2.gz KBFVHRLCORVLPF-ZDUSSCGKSA-N 0 3 257.381 3.185 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cccc2ncccc12 ZINC000755893531 626656936 /nfs/dbraw/zinc/65/69/36/626656936.db2.gz VPFPSRTVNHZVOU-LBPRGKRZSA-N 0 3 280.375 3.117 20 30 CGEDHN C=C(Cl)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000839612946 626766227 /nfs/dbraw/zinc/76/62/27/626766227.db2.gz BXTITDZADXQWAQ-NSHDSACASA-N 0 3 288.819 3.117 20 30 CGEDHN C#C[C@H](CCC)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000839735100 626779127 /nfs/dbraw/zinc/77/91/27/626779127.db2.gz XVUCQMSQYSMFFN-GOSISDBHSA-N 0 3 298.430 3.204 20 30 CGEDHN Fc1ccc(/C=C\C=NNCCN2CCCCC2)c(F)c1 ZINC000758113704 626828262 /nfs/dbraw/zinc/82/82/62/626828262.db2.gz SSXDDPWWTHKJGY-MRHCBGIFSA-N 0 3 293.361 3.039 20 30 CGEDHN C#CCCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000766905264 627369433 /nfs/dbraw/zinc/36/94/33/627369433.db2.gz FPOUQWBTHAWIFM-UHFFFAOYSA-N 0 3 273.220 3.217 20 30 CGEDHN C#CCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000766914624 627370105 /nfs/dbraw/zinc/37/01/05/627370105.db2.gz CGBFTVZDHSPPIX-UHFFFAOYSA-N 0 3 269.344 3.401 20 30 CGEDHN C#CCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000766914624 627370107 /nfs/dbraw/zinc/37/01/07/627370107.db2.gz CGBFTVZDHSPPIX-UHFFFAOYSA-N 0 3 269.344 3.401 20 30 CGEDHN C#CCOc1ccccc1CN1CCSC(C)(C)C1 ZINC000769449038 627553856 /nfs/dbraw/zinc/55/38/56/627553856.db2.gz VQXZSVHGKHPBKY-UHFFFAOYSA-N 0 3 275.417 3.026 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000773121453 627859217 /nfs/dbraw/zinc/85/92/17/627859217.db2.gz ZJTULBWLDAUMEG-KGLIPLIRSA-N 0 3 268.360 3.439 20 30 CGEDHN C[C@H](NCc1cccc2nsnc21)c1ccc(C#N)cc1 ZINC000775160217 628067759 /nfs/dbraw/zinc/06/77/59/628067759.db2.gz YBFWNKQKVLINOV-NSHDSACASA-N 0 3 294.383 3.414 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000775261342 628076083 /nfs/dbraw/zinc/07/60/83/628076083.db2.gz JKURPHXXBFLVMS-KGLIPLIRSA-N 0 3 286.375 3.096 20 30 CGEDHN C=CCC[C@H](NC/C=C(/C)C(=O)OC)c1ccccc1 ZINC000775463668 628097134 /nfs/dbraw/zinc/09/71/34/628097134.db2.gz MUAQNNJFRXBDTA-HECSCLNYSA-N 0 3 273.376 3.403 20 30 CGEDHN N#CCC[C@@H](NC[C@H](O)c1ccccc1)c1ccccc1 ZINC000775552138 628105611 /nfs/dbraw/zinc/10/56/11/628105611.db2.gz FRRXTGBQHJQENT-MSOLQXFVSA-N 0 3 280.371 3.355 20 30 CGEDHN C#C[C@@H](NC1CC(c2ccc(Cl)cc2)C1)[C@H]1CCCO1 ZINC000775571124 628108210 /nfs/dbraw/zinc/10/82/10/628108210.db2.gz ANKYWCOBAXBXSB-OKEQZYBDSA-N 0 3 289.806 3.356 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cc2c(s1)CCC2)[C@H]1CCCO1 ZINC000775573920 628109733 /nfs/dbraw/zinc/10/97/33/628109733.db2.gz LJKFAWFLCARHGQ-FPMFFAJLSA-N 0 3 275.417 3.068 20 30 CGEDHN C=CCCCN(C)Cc1cccc(Br)n1 ZINC000779436257 628413211 /nfs/dbraw/zinc/41/32/11/628413211.db2.gz GVQVYDCTWYEDHP-UHFFFAOYSA-N 0 3 269.186 3.242 20 30 CGEDHN COc1ccc2c(c1)nccc2N1CCC(CC#N)CC1 ZINC000781676683 628584342 /nfs/dbraw/zinc/58/43/42/628584342.db2.gz WNGRFCGOXKKLMU-UHFFFAOYSA-N 0 3 281.359 3.373 20 30 CGEDHN C=C(Br)CN1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000782502035 628650818 /nfs/dbraw/zinc/65/08/18/628650818.db2.gz DPCBZQQGKRIOLJ-WCQGTBRESA-N 0 3 258.203 3.406 20 30 CGEDHN N#CC(C(=O)CCCc1ccsc1)c1ccccn1 ZINC000783349129 628704177 /nfs/dbraw/zinc/70/41/77/628704177.db2.gz JPSHEDDIHCOSRV-ZDUSSCGKSA-N 0 3 270.357 3.342 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@@H]2CCOC2)c([O-])c1 ZINC000783683919 628739405 /nfs/dbraw/zinc/73/94/05/628739405.db2.gz CFKSOVRYJKDAKD-CRRKTRLDSA-N 0 3 290.407 3.084 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC000787681785 629022181 /nfs/dbraw/zinc/02/21/81/629022181.db2.gz RLTXPAUOADALDX-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN CCCN(CCC)c1ccc(C=NN[C@H]2CCOC2)cc1 ZINC000788456262 629054147 /nfs/dbraw/zinc/05/41/47/629054147.db2.gz LHPZHVGHIMCYSM-INIZCTEOSA-N 0 3 289.423 3.025 20 30 CGEDHN FC(F)(F)c1cccc([C@@H]2CCCC2=Nn2cnnc2)c1 ZINC000788929339 629090186 /nfs/dbraw/zinc/09/01/86/629090186.db2.gz SKJLMMJPGHLRGS-LBPRGKRZSA-N 0 3 294.280 3.469 20 30 CGEDHN C#C[C@H](NCCc1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000789307269 629122833 /nfs/dbraw/zinc/12/28/33/629122833.db2.gz VMLALWMSDRRCPX-UONOGXRCSA-N 0 3 298.213 3.306 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCC[C@H](C)C2)n1 ZINC000789325339 629123975 /nfs/dbraw/zinc/12/39/75/629123975.db2.gz CMRGYESJYMTDPP-JKSUJKDBSA-N 0 3 273.424 3.165 20 30 CGEDHN C#CC[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C(C)C ZINC000805891801 629138044 /nfs/dbraw/zinc/13/80/44/629138044.db2.gz YOUUANQVVCFISZ-SFHVURJKSA-N 0 3 299.414 3.487 20 30 CGEDHN C#CCN(Cc1ccc(-c2cc[nH]n2)o1)C1CCCC1 ZINC000789735900 629164499 /nfs/dbraw/zinc/16/44/99/629164499.db2.gz WPOJPVOQMQNCJX-UHFFFAOYSA-N 0 3 269.348 3.048 20 30 CGEDHN C=C[C@H](CC)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805908772 629177871 /nfs/dbraw/zinc/17/78/71/629177871.db2.gz FHKJIDYKRHCMCJ-MRXNPFEDSA-N 0 3 273.376 3.404 20 30 CGEDHN C=C[C@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805923158 629209219 /nfs/dbraw/zinc/20/92/19/629209219.db2.gz BXGAGMAKANTXFQ-ZDUSSCGKSA-N 0 3 259.349 3.014 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000791570150 629289734 /nfs/dbraw/zinc/28/97/34/629289734.db2.gz ZMWZLELIKKYDBM-MRXNPFEDSA-N 0 3 285.387 3.160 20 30 CGEDHN C#CCN(Cc1ccc(N(C)C(C)C)nc1)C1CCCC1 ZINC000792171153 629343227 /nfs/dbraw/zinc/34/32/27/629343227.db2.gz YQFYBQSXCQHHEA-UHFFFAOYSA-N 0 3 285.435 3.304 20 30 CGEDHN C#CCN(Cc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000792210732 629349878 /nfs/dbraw/zinc/34/98/78/629349878.db2.gz OQYBKWVXSZKEHV-UHFFFAOYSA-N 0 3 270.351 3.465 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000862363304 629352625 /nfs/dbraw/zinc/35/26/25/629352625.db2.gz MAQDYTJXHKMWFF-LBPRGKRZSA-N 0 3 271.282 3.215 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(Cl)c(OC)c2)C1 ZINC000862446563 629379581 /nfs/dbraw/zinc/37/95/81/629379581.db2.gz ALFGQAFFJUMGKQ-GFCCVEGCSA-N 0 3 263.768 3.194 20 30 CGEDHN FC(F)(F)CCNN=C1CCCC[C@H]1N1CCCCC1 ZINC000794547176 629553521 /nfs/dbraw/zinc/55/35/21/629553521.db2.gz ZYCYTEQGNAEXTA-CYBMUJFWSA-N 0 3 291.361 3.313 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2n[nH]cc21)c1cccc(C#N)c1 ZINC000796780637 629832693 /nfs/dbraw/zinc/83/26/93/629832693.db2.gz KNOBXKGLHGGFGG-XHDPSFHLSA-N 0 3 266.348 3.010 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](c3ccccn3)C2)ccc1F ZINC000799189852 630156026 /nfs/dbraw/zinc/15/60/26/630156026.db2.gz HSRCCWABWMMAEA-CQSZACIVSA-N 0 3 281.334 3.082 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(Cl)cncc1Cl ZINC000865609018 630218752 /nfs/dbraw/zinc/21/87/52/630218752.db2.gz RLVKDXLOBOIVTC-ZANVPECISA-N 0 3 287.190 3.069 20 30 CGEDHN C=C(Br)CN[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000799717477 630224015 /nfs/dbraw/zinc/22/40/15/630224015.db2.gz GXOLGWVQTGHNFM-JTQLQIEISA-N 0 3 291.192 3.133 20 30 CGEDHN CC(C)Oc1ccccc1[C@@H](C)NCCO[C@@H](C)C#N ZINC000801937443 630370611 /nfs/dbraw/zinc/37/06/11/630370611.db2.gz NBCWCPGUKKBWRF-UONOGXRCSA-N 0 3 276.380 3.053 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(C)c(F)c2)cc1 ZINC000809603787 630759920 /nfs/dbraw/zinc/75/99/20/630759920.db2.gz WIDZFNGPMOSQQM-UHFFFAOYSA-N 0 3 253.320 3.405 20 30 CGEDHN C=CCCC[C@H](C)NCc1ncc(C2OCCO2)s1 ZINC000809631827 630769382 /nfs/dbraw/zinc/76/93/82/630769382.db2.gz JIEDSAOMMCIGAQ-NSHDSACASA-N 0 3 282.409 3.023 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000809683979 630779557 /nfs/dbraw/zinc/77/95/57/630779557.db2.gz UMSJKQJZOHTREX-CQSZACIVSA-N 0 3 275.355 3.137 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000809686180 630782048 /nfs/dbraw/zinc/78/20/48/630782048.db2.gz YFLFIMZBSHKMNY-OAHLLOKOSA-N 0 3 273.376 3.143 20 30 CGEDHN C#C[C@H](CC)NCc1cc(Cl)cc2cccnc21 ZINC000809686293 630783161 /nfs/dbraw/zinc/78/31/61/630783161.db2.gz IGQVEJSCXQIJIK-CQSZACIVSA-N 0 3 258.752 3.390 20 30 CGEDHN CCN(Cc1ccncc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809726432 630792723 /nfs/dbraw/zinc/79/27/23/630792723.db2.gz JVQDDFNEXUIOJX-HNNXBMFYSA-N 0 3 295.386 3.395 20 30 CGEDHN C#C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000809781301 630806710 /nfs/dbraw/zinc/80/67/10/630806710.db2.gz OIYOJUVWBLOOPC-WKTRQSJXSA-N 0 3 272.348 3.246 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3(CCF)CC3)nc21 ZINC000810590543 630899112 /nfs/dbraw/zinc/89/91/12/630899112.db2.gz OSWUNJRQORPYDC-LLVKDONJSA-N 0 3 285.322 3.187 20 30 CGEDHN C=C(C)CNN=Cc1ccc(N2CCCCC2)cc1 ZINC000811650630 631098436 /nfs/dbraw/zinc/09/84/36/631098436.db2.gz IWWFDNCLIGLMSM-UHFFFAOYSA-N 0 3 257.381 3.177 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000876545356 634854198 /nfs/dbraw/zinc/85/41/98/634854198.db2.gz FVQUMFRMYJLFKG-NSHDSACASA-N 0 3 273.163 3.057 20 30 CGEDHN C#CCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816471860 631988157 /nfs/dbraw/zinc/98/81/57/631988157.db2.gz OPJJPLYMVWLUQY-WMZOPIPTSA-N 0 3 299.414 3.386 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000816648199 632035778 /nfs/dbraw/zinc/03/57/78/632035778.db2.gz GLKKQXIJAZFNDB-KGLIPLIRSA-N 0 3 258.365 3.209 20 30 CGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(CCCC#N)C1 ZINC000879103618 635702473 /nfs/dbraw/zinc/70/24/73/635702473.db2.gz TXBKPKQPLUYJSX-CQSZACIVSA-N 0 3 295.427 3.059 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC12CC2)c1ccc2ccccc2n1 ZINC000817714328 632204994 /nfs/dbraw/zinc/20/49/94/632204994.db2.gz QAYFJTLBZLMWOY-OLZOCXBDSA-N 0 3 262.312 3.211 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(OC)cc1Cl ZINC000818337899 632310165 /nfs/dbraw/zinc/31/01/65/632310165.db2.gz PNCWMRNSYRHIEM-NSHDSACASA-N 0 3 269.772 3.202 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000865752648 632878745 /nfs/dbraw/zinc/87/87/45/632878745.db2.gz BSBSASVJBYEIAA-ZWKOPEQDSA-N 0 3 284.281 3.018 20 30 CGEDHN C=CCC[C@H](CC)NCc1nn(C)cc1C(F)F ZINC000866562523 633193951 /nfs/dbraw/zinc/19/39/51/633193951.db2.gz CLTGOFFIGAINCV-JTQLQIEISA-N 0 3 257.328 3.192 20 30 CGEDHN CC[C@H](N[C@@H](C)c1ccnn1C)c1ccc(C#N)cc1 ZINC000866615836 633215180 /nfs/dbraw/zinc/21/51/80/633215180.db2.gz XAEWKUHVHZCWTK-WFASDCNBSA-N 0 3 268.364 3.094 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCCn3nccc32)cc1 ZINC000866631519 633221630 /nfs/dbraw/zinc/22/16/30/633221630.db2.gz BOWMXWMENZTOHS-WMLDXEAASA-N 0 3 295.386 3.081 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)Cc1ccc(C)cc1 ZINC000876559880 634857762 /nfs/dbraw/zinc/85/77/62/634857762.db2.gz HWLPSHWNEPYMLP-HNNXBMFYSA-N 0 3 294.826 3.204 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824861034 633300906 /nfs/dbraw/zinc/30/09/06/633300906.db2.gz DTSNBKMREABNCN-MJGOQNOKSA-N 0 3 295.382 3.492 20 30 CGEDHN C#C[C@H](NC1CCC(OCC)CC1)c1ccc(F)cc1 ZINC000825955221 633392232 /nfs/dbraw/zinc/39/22/32/633392232.db2.gz IULOSHKXKYFABF-JCYILVPMSA-N 0 3 275.367 3.437 20 30 CGEDHN CCc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000845946167 636122407 /nfs/dbraw/zinc/12/24/07/636122407.db2.gz QHGBTKXFUDVTHC-UHFFFAOYSA-N 0 3 280.371 3.419 20 30 CGEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000829774382 633781436 /nfs/dbraw/zinc/78/14/36/633781436.db2.gz POYKZRHRYZHDPH-IRXDYDNUSA-N 0 3 298.430 3.366 20 30 CGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000829778449 633782816 /nfs/dbraw/zinc/78/28/16/633782816.db2.gz CFTFWALUWXAOKE-IAGOWNOFSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cccc(O)c1F ZINC000872047552 633970365 /nfs/dbraw/zinc/97/03/65/633970365.db2.gz UPSLWTKSUTUZAM-JTQLQIEISA-N 0 3 255.358 3.101 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872070121 633991815 /nfs/dbraw/zinc/99/18/15/633991815.db2.gz XYTVUORXSHTYDT-WQGACYEGSA-N 0 3 279.355 3.163 20 30 CGEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cc(O)ccc1F ZINC000872090811 634015689 /nfs/dbraw/zinc/01/56/89/634015689.db2.gz DPDAOMXNAPFNIM-IAQYHMDHSA-N 0 3 296.345 3.221 20 30 CGEDHN C=CC(C)(C)CCCNCc1ncc(Cl)n1C ZINC000873151372 634258755 /nfs/dbraw/zinc/25/87/55/634258755.db2.gz HSLMMAAVCNUEMH-UHFFFAOYSA-N 0 3 255.793 3.156 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000834889074 634268602 /nfs/dbraw/zinc/26/86/02/634268602.db2.gz SHYYBDMKWNIFKK-LZWOXQAQSA-N 0 3 261.365 3.085 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2ncc(CSC)s2)CC1 ZINC000873197985 634282287 /nfs/dbraw/zinc/28/22/87/634282287.db2.gz LHNOVLHOKKLNLK-HAQNSBGRSA-N 0 3 280.462 3.288 20 30 CGEDHN CC1(C)CCC[C@@H]1NN=C1CCc2cc(N)ccc21 ZINC000834978219 634301272 /nfs/dbraw/zinc/30/12/72/634301272.db2.gz QTXYENNWDRVDRY-HNNXBMFYSA-N 0 3 257.381 3.087 20 30 CGEDHN CCC(=NN[C@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000835017966 634319356 /nfs/dbraw/zinc/31/93/56/634319356.db2.gz SFTRYIXDLFKROX-INIZCTEOSA-N 0 3 289.423 3.024 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000876590890 634863212 /nfs/dbraw/zinc/86/32/12/634863212.db2.gz GEWANOWXFSONMZ-AWEZNQCLSA-N 0 3 298.789 3.033 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000876653999 634875420 /nfs/dbraw/zinc/87/54/20/634875420.db2.gz WHHVDFPHQWUMQD-GFCCVEGCSA-N 0 3 287.190 3.081 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC(C)C)C(CC)CC ZINC000876698404 634884197 /nfs/dbraw/zinc/88/41/97/634884197.db2.gz QVGCBMCWZKLFDH-CYBMUJFWSA-N 0 3 274.836 3.130 20 30 CGEDHN CO[C@H](CNCc1cc(C#N)ccc1F)Cc1ccccc1 ZINC000877067773 634969840 /nfs/dbraw/zinc/96/98/40/634969840.db2.gz IHTMCWHVPILMAO-KRWDZBQOSA-N 0 3 298.361 3.045 20 30 CGEDHN C[N@H+](CCCC/N=C/c1cc(Cl)ccc1[O-])C1CC1 ZINC000840709798 635038992 /nfs/dbraw/zinc/03/89/92/635038992.db2.gz MNYSCSILIHEUAI-GZTJUZNOSA-N 0 3 280.799 3.339 20 30 CGEDHN C[N@@H+](CCCC/N=C/c1cc(Cl)ccc1[O-])C1CC1 ZINC000840709798 635038994 /nfs/dbraw/zinc/03/89/94/635038994.db2.gz MNYSCSILIHEUAI-GZTJUZNOSA-N 0 3 280.799 3.339 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877549407 635084956 /nfs/dbraw/zinc/08/49/56/635084956.db2.gz MQNQDOCYSSMZFP-UHFFFAOYSA-N 0 3 263.772 3.299 20 30 CGEDHN C#CCCCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000877916344 635268343 /nfs/dbraw/zinc/26/83/43/635268343.db2.gz AOSWUNZSNQABBX-UHFFFAOYSA-N 0 3 260.337 3.220 20 30 CGEDHN Cc1cc(F)ccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000842157236 635299308 /nfs/dbraw/zinc/29/93/08/635299308.db2.gz PWXCDQQRRYCLTI-SFHVURJKSA-N 0 3 298.361 3.171 20 30 CGEDHN N#CC1(c2ccccn2)CCN(CCCC2CC2)CC1 ZINC000878558292 635556798 /nfs/dbraw/zinc/55/67/98/635556798.db2.gz VYHBVXDQHUKSOB-UHFFFAOYSA-N 0 3 269.392 3.129 20 30 CGEDHN C#C[C@H](NCc1cn(C)nc1-c1ccc(C)o1)C(C)(C)C ZINC000843409433 635660352 /nfs/dbraw/zinc/66/03/52/635660352.db2.gz IFXZQVNGCXICIW-HNNXBMFYSA-N 0 3 285.391 3.126 20 30 CGEDHN CC1(C)CC[C@@H](CN2CCc3c(CC#N)cccc3C2)OC1 ZINC000879064259 635693697 /nfs/dbraw/zinc/69/36/97/635693697.db2.gz AHWNHGSVQQVEMG-KRWDZBQOSA-N 0 3 298.430 3.316 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000879185923 635721464 /nfs/dbraw/zinc/72/14/64/635721464.db2.gz CNDIGMPCDNKEDR-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CC(C)(NCc1cccc(C#N)c1F)[C@H]1CCCCO1 ZINC000879407177 635779271 /nfs/dbraw/zinc/77/92/71/635779271.db2.gz VPXAQBAVOJDZEZ-CQSZACIVSA-N 0 3 276.355 3.135 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@H]3C2)c(Cl)c1 ZINC000879564076 635811063 /nfs/dbraw/zinc/81/10/63/635811063.db2.gz GMYDVORPAWBSRY-UONOGXRCSA-N 0 3 292.835 3.397 20 30 CGEDHN C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1[O-] ZINC000879650648 635828180 /nfs/dbraw/zinc/82/81/80/635828180.db2.gz LOUDNBCSVSQQDH-AWEZNQCLSA-N 0 3 288.391 3.143 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1cc2cnccc2o1 ZINC000879714886 635841729 /nfs/dbraw/zinc/84/17/29/635841729.db2.gz KIPMJOOFCUGWLK-LLVKDONJSA-N 0 3 257.337 3.418 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cn(-c3ccccc3)nn2)C1 ZINC000845951266 636122935 /nfs/dbraw/zinc/12/29/35/636122935.db2.gz HWAZWDFXKAOBLV-CABCVRRESA-N 0 3 282.391 3.102 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000847029231 636318365 /nfs/dbraw/zinc/31/83/65/636318365.db2.gz MCJPIWYMDGBSHE-OAHLLOKOSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CCC1(O)CCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC000882969285 636482701 /nfs/dbraw/zinc/48/27/01/636482701.db2.gz QAEUXWHTSRPKAM-UHFFFAOYSA-N 0 3 294.398 3.206 20 30 CGEDHN Fc1ccccc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848404236 636567353 /nfs/dbraw/zinc/56/73/53/636567353.db2.gz IANWTFSTLOCLDQ-HNNXBMFYSA-N 0 3 261.344 3.242 20 30 CGEDHN CC(C)c1ccc(N(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000848403678 636567406 /nfs/dbraw/zinc/56/74/06/636567406.db2.gz YCBIHEWSJWIMIN-INIZCTEOSA-N 0 3 287.407 3.184 20 30 CGEDHN C#C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000848493389 636581213 /nfs/dbraw/zinc/58/12/13/636581213.db2.gz NJXWGLMYEALJAI-CQSZACIVSA-N 0 3 265.356 3.391 20 30 CGEDHN C#C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000848493389 636581214 /nfs/dbraw/zinc/58/12/14/636581214.db2.gz NJXWGLMYEALJAI-CQSZACIVSA-N 0 3 265.356 3.391 20 30 CGEDHN C=CCCC[C@H](N[C@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000883203011 636581776 /nfs/dbraw/zinc/58/17/76/636581776.db2.gz QGNMVJDGFUKTRH-ZBFHGGJFSA-N 0 3 295.448 3.107 20 30 CGEDHN C=CCC[C@H](NCc1ccc(Cl)cn1)[C@H]1CCCO1 ZINC000883210601 636587716 /nfs/dbraw/zinc/58/77/16/636587716.db2.gz WJUINJFCBXIQAA-LSDHHAIUSA-N 0 3 280.799 3.338 20 30 CGEDHN C=CCCC[C@@H](N[C@H](C)C(=O)NCCF)c1ccccc1 ZINC000883220856 636594239 /nfs/dbraw/zinc/59/42/39/636594239.db2.gz QIVFBNWQUHGAEV-GDBMZVCRSA-N 0 3 292.398 3.148 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000848924260 636695399 /nfs/dbraw/zinc/69/53/99/636695399.db2.gz OWWUCQNPDMDATG-KRWDZBQOSA-N 0 3 293.414 3.334 20 30 CGEDHN C#CC1(NCc2ccc(C(F)F)nc2)CCCC1 ZINC000883362208 636704023 /nfs/dbraw/zinc/70/40/23/636704023.db2.gz XCYSLGNWSFVATO-UHFFFAOYSA-N 0 3 250.292 3.055 20 30 CGEDHN C=CCCSCCNCc1c(Cl)nc2ccccn21 ZINC000850354549 637023804 /nfs/dbraw/zinc/02/38/04/637023804.db2.gz MTPVJHSNDMMRAI-UHFFFAOYSA-N 0 3 295.839 3.387 20 30 CGEDHN Cc1ccc(O)c(CNCC2(C#N)CCCCC2)c1 ZINC000850390819 637044499 /nfs/dbraw/zinc/04/44/99/637044499.db2.gz UFMHHCXTCSVAGD-UHFFFAOYSA-N 0 3 258.365 3.264 20 30 CGEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1cccnc1Cl ZINC000850487878 637088228 /nfs/dbraw/zinc/08/82/28/637088228.db2.gz JUWBFXJIVGQFIO-GFCCVEGCSA-N 0 3 285.778 3.500 20 30 CGEDHN CO[C@H]1C[C@@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC000850549382 637118006 /nfs/dbraw/zinc/11/80/06/637118006.db2.gz GIXJNDPYCBNMIY-KGLIPLIRSA-N 0 3 262.397 3.008 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@H]3SCCS[C@H]23)CCCCC1 ZINC000850550210 637118149 /nfs/dbraw/zinc/11/81/49/637118149.db2.gz NMXSSTXSWOQHEL-MGPQQGTHSA-N 0 3 296.505 3.430 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1ccccn1 ZINC000850755728 637146085 /nfs/dbraw/zinc/14/60/85/637146085.db2.gz HVJGYQPUQGKYPO-UWVGGRQHSA-N 0 3 283.158 3.232 20 30 CGEDHN C[C@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(F)c1F ZINC000886114863 637422098 /nfs/dbraw/zinc/42/20/98/637422098.db2.gz ZDPDFAGRHHXSPL-NWDGAFQWSA-N 0 3 294.345 3.060 20 30 CGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(F)c1F ZINC000886114864 637422156 /nfs/dbraw/zinc/42/21/56/637422156.db2.gz ZDPDFAGRHHXSPL-RYUDHWBXSA-N 0 3 294.345 3.060 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ncc(-c3ccccc3C)o2)C1 ZINC000886357290 637511672 /nfs/dbraw/zinc/51/16/72/637511672.db2.gz DWIIZAIABIYFAC-OAHLLOKOSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CCN(C(=O)[C@@H](C)CCCCCC)C1CCN(C)CC1 ZINC000886581094 637590443 /nfs/dbraw/zinc/59/04/43/637590443.db2.gz JMZWRLSOYYGQRR-INIZCTEOSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C2CC2)no1)[C@H]1CCCO1 ZINC000886686843 637651522 /nfs/dbraw/zinc/65/15/22/637651522.db2.gz YKFQMNMTLAHUCK-GDBMZVCRSA-N 0 3 276.380 3.155 20 30 CGEDHN C#CCC1(NCc2ccc(Cl)nc2Cl)CCOCC1 ZINC000887122230 637752512 /nfs/dbraw/zinc/75/25/12/637752512.db2.gz OXHSEMPVSQIORM-UHFFFAOYSA-N 0 3 299.201 3.051 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1ncco1)C(C)C ZINC000924642272 638381603 /nfs/dbraw/zinc/38/16/03/638381603.db2.gz GRWZWYKSSLIWOG-GJZGRUSLSA-N 0 3 277.412 3.024 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000115534849 638564950 /nfs/dbraw/zinc/56/49/50/638564950.db2.gz QXZOWYOGOKYTOD-LJQANCHMSA-N 0 3 297.398 3.417 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CC=C(C(=O)OC)C1)c1ccco1 ZINC000858471759 638727931 /nfs/dbraw/zinc/72/79/31/638727931.db2.gz FADYPDFVDIYCES-KGLIPLIRSA-N 0 3 275.348 3.138 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H]1CCCc2c(Cl)ccnc21 ZINC000926866555 638819349 /nfs/dbraw/zinc/81/93/49/638819349.db2.gz XYQGYGPLLOXMKC-RISCZKNCSA-N 0 3 280.799 3.029 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCC2(CCC2)O1 ZINC000929164177 638903944 /nfs/dbraw/zinc/90/39/44/638903944.db2.gz KKZQWIXXCVROGC-QGZVFWFLSA-N 0 3 284.403 3.482 20 30 CGEDHN CC(C)c1ccc([C@@H]2CCCN2C[C@H](O)CC#N)cc1 ZINC000930106212 638974394 /nfs/dbraw/zinc/97/43/94/638974394.db2.gz OFGGOIWLMXIOEE-SJORKVTESA-N 0 3 272.392 3.221 20 30 CGEDHN CC(C)Sc1ccc([C@@H](C)NC[C@H](O)CC#N)cc1 ZINC000930216005 638983327 /nfs/dbraw/zinc/98/33/27/638983327.db2.gz UYLDMFOWHKBFMU-TZMCWYRMSA-N 0 3 278.421 3.112 20 30 CGEDHN COC[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930676200 639051309 /nfs/dbraw/zinc/05/13/09/639051309.db2.gz LWSDFIKUJOOLFX-CYBMUJFWSA-N 0 3 292.810 3.460 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C)c2snnc2C)C1 ZINC000930963762 639090891 /nfs/dbraw/zinc/09/08/91/639090891.db2.gz XOLLDWJDEHYUSX-VXGBXAGGSA-N 0 3 251.399 3.196 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859446217 639142938 /nfs/dbraw/zinc/14/29/38/639142938.db2.gz XDRLPARGUDWROO-NSHDSACASA-N 0 3 264.300 3.132 20 30 CGEDHN C=C(C)CN1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932036419 639253566 /nfs/dbraw/zinc/25/35/66/639253566.db2.gz CYBDFVOWTNXQDJ-UHFFFAOYSA-N 0 3 273.376 3.006 20 30 CGEDHN Cn1nccc1[C@H]1CCCN1CCCCC1(C#N)CCC1 ZINC000932263837 639304819 /nfs/dbraw/zinc/30/48/19/639304819.db2.gz XVMWTGFQSOGNAS-MRXNPFEDSA-N 0 3 286.423 3.421 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CO)c2ccccc2C(F)(F)F)C1 ZINC000933241536 639430084 /nfs/dbraw/zinc/43/00/84/639430084.db2.gz MYPLYWXDCQGHAW-JTNHKYCSSA-N 0 3 298.308 3.021 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cc(C)ccc2C)CCC1 ZINC000933302923 639436884 /nfs/dbraw/zinc/43/68/84/639436884.db2.gz KLQPZPIOLQRTBL-HNNXBMFYSA-N 0 3 284.403 3.166 20 30 CGEDHN C=CC[C@H](C)OC(=O)C(C)(C)N(C)C1CCCC1 ZINC000860901696 639460215 /nfs/dbraw/zinc/46/02/15/639460215.db2.gz SSBDZNUGDRAHMG-LBPRGKRZSA-N 0 3 253.386 3.147 20 30 CGEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1ccccc1Cl ZINC000934511839 639623235 /nfs/dbraw/zinc/62/32/35/639623235.db2.gz VDBPMKXBSCDOOM-ZDUSSCGKSA-N 0 3 290.794 3.156 20 30 CGEDHN N#Cc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1F ZINC000934696507 639659984 /nfs/dbraw/zinc/65/99/84/639659984.db2.gz GOGLEKQDFGYIAV-QGZVFWFLSA-N 0 3 281.334 3.333 20 30 CGEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000935027698 639734769 /nfs/dbraw/zinc/73/47/69/639734769.db2.gz QGHADOSAKBJVQF-DLBZAZTESA-N 0 3 299.418 3.020 20 30 CGEDHN C#CCN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000303808609 640844286 /nfs/dbraw/zinc/84/42/86/640844286.db2.gz CEBXOGOPUHDBRP-UHFFFAOYSA-N 0 3 278.193 3.046 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001007564099 640943669 /nfs/dbraw/zinc/94/36/69/640943669.db2.gz YGLQBFRVLGLXQX-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009321807 640959468 /nfs/dbraw/zinc/95/94/68/640959468.db2.gz ZVLXNZBIGOKLAH-GOSISDBHSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001009702641 640963188 /nfs/dbraw/zinc/96/31/88/640963188.db2.gz LIQWGYREWWHQSW-LBPRGKRZSA-N 0 3 296.411 3.048 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001016133996 640992289 /nfs/dbraw/zinc/99/22/89/640992289.db2.gz UYIPIBLNCUVVKP-INIZCTEOSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2sccc2CC)C1 ZINC001016329385 640995603 /nfs/dbraw/zinc/99/56/03/640995603.db2.gz YWRBZEYGTYABEX-AWEZNQCLSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016425218 640999466 /nfs/dbraw/zinc/99/94/66/640999466.db2.gz SJCMZFPFQWXKRF-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001017866242 641017240 /nfs/dbraw/zinc/01/72/40/641017240.db2.gz QWJNVVWMVJUMFH-VVLHAWIVSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001017871354 641017737 /nfs/dbraw/zinc/01/77/37/641017737.db2.gz DIZULXFGGWTOQX-GASCZTMLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C(C)(CC)CC ZINC001567238731 961154266 /nfs/dbraw/zinc/15/42/66/961154266.db2.gz FBQGQDDCRCBGCD-GFCCVEGCSA-N 0 3 274.836 3.050 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)CCCCCC ZINC001156310736 805674713 /nfs/dbraw/zinc/67/47/13/805674713.db2.gz CTGZGTLKOXEOKD-DLBZAZTESA-N 0 3 294.483 3.443 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)CCCCC ZINC001157035386 805767803 /nfs/dbraw/zinc/76/78/03/805767803.db2.gz OJLPNAFEWQRFQV-MRXNPFEDSA-N 0 3 294.483 3.443 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)CCCCC ZINC001157041168 805767837 /nfs/dbraw/zinc/76/78/37/805767837.db2.gz GQEPEIWCXUZQHR-SJORKVTESA-N 0 3 294.483 3.443 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001157754122 805861965 /nfs/dbraw/zinc/86/19/65/805861965.db2.gz CIDRPTAIZOGMMY-JQPIKURYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C[C@@H](NC[C@H](O)c1ccccc1)c1ccccc1 ZINC001252016094 805975406 /nfs/dbraw/zinc/97/54/06/805975406.db2.gz VILIZAJGQSDYQB-SJORKVTESA-N 0 3 253.345 3.237 20 30 CGEDHN C=CCOC[C@@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC001252465434 806048161 /nfs/dbraw/zinc/04/81/61/806048161.db2.gz GXTVJXVFHWJGKN-BBRMVZONSA-N 0 3 295.810 3.040 20 30 CGEDHN C=C[C@@](C)(O)CN[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC001252580819 806075430 /nfs/dbraw/zinc/07/54/30/806075430.db2.gz DZBUFJRNXKBUBB-NVXWUHKLSA-N 0 3 287.407 3.177 20 30 CGEDHN C=C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001252867619 806135838 /nfs/dbraw/zinc/13/58/38/806135838.db2.gz CHRXBWITONYESU-IAGOWNOFSA-N 0 3 271.335 3.376 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CN1CC(C)(CO)C1 ZINC001252978399 806143462 /nfs/dbraw/zinc/14/34/62/806143462.db2.gz BANVIAHYRJPMND-MRXNPFEDSA-N 0 3 285.472 3.192 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1CC(N2CCCCC2)C1 ZINC001253240318 806190269 /nfs/dbraw/zinc/19/02/69/806190269.db2.gz IZUKEPQRIULFKG-SFHVURJKSA-N 0 3 294.483 3.044 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@](C)(F)CCCC)CC1 ZINC001160529338 806282199 /nfs/dbraw/zinc/28/21/99/806282199.db2.gz HIVXBSJGIOFISJ-QGZVFWFLSA-N 0 3 296.430 3.229 20 30 CGEDHN C#CCN(Cc1ccc(OCCC)c(OC)c1)CC1CC1 ZINC001254039913 806333261 /nfs/dbraw/zinc/33/32/61/806333261.db2.gz JTDASAKMTRXCJO-UHFFFAOYSA-N 0 3 287.403 3.329 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001160979457 806333473 /nfs/dbraw/zinc/33/34/73/806333473.db2.gz SMJXRMRKJCCNSI-UKRRQHHQSA-N 0 3 286.847 3.051 20 30 CGEDHN C[C@]1(C#N)CCN(C2CCc3ccccc3CC2)C1 ZINC001254463602 806411618 /nfs/dbraw/zinc/41/16/18/806411618.db2.gz SLMFLLLDHZZVEI-QGZVFWFLSA-N 0 3 254.377 3.170 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001161743717 806442048 /nfs/dbraw/zinc/44/20/48/806442048.db2.gz UALXETCVUBQZKE-JCNLHEQBSA-N 0 3 290.451 3.137 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cc(Cl)nc(Cl)c2)C1 ZINC001254637243 806466903 /nfs/dbraw/zinc/46/69/03/806466903.db2.gz NXYRNAUMHJRARM-SCZZXKLOSA-N 0 3 270.163 3.170 20 30 CGEDHN CN1CCCC[C@H]1c1ccc(NC2(C#N)CCC2)nc1 ZINC001162309114 806552838 /nfs/dbraw/zinc/55/28/38/806552838.db2.gz AAQNXFVHNREFGH-AWEZNQCLSA-N 0 3 270.380 3.097 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCc2ccc(Cl)cc2C1 ZINC001255155869 806556926 /nfs/dbraw/zinc/55/69/26/806556926.db2.gz BVXXKHKKJNWLAM-CABCVRRESA-N 0 3 262.784 3.479 20 30 CGEDHN CC[C@@H](CC#N)NC1(Cc2cccc(F)c2)CCOCC1 ZINC001255162477 806561834 /nfs/dbraw/zinc/56/18/34/806561834.db2.gz QSPMJJBWIUBOOF-INIZCTEOSA-N 0 3 290.382 3.199 20 30 CGEDHN CCCC[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC001255322624 806612369 /nfs/dbraw/zinc/61/23/69/806612369.db2.gz JTFJOVYQRTWSEU-OAHLLOKOSA-N 0 3 271.408 3.259 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)C)c1 ZINC000127548795 799014087 /nfs/dbraw/zinc/01/40/87/799014087.db2.gz LTRBWHQTVGNXDV-AWEZNQCLSA-N 0 3 272.348 3.079 20 30 CGEDHN N#Cc1cnc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001255698577 806709661 /nfs/dbraw/zinc/70/96/61/806709661.db2.gz YCYZRNIYZBBUIG-RKDXNWHRSA-N 0 3 289.326 3.225 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)CC2CCCC2)CC1 ZINC001163222273 806727334 /nfs/dbraw/zinc/72/73/34/806727334.db2.gz GLWYMPSKRMBEFO-UHFFFAOYSA-N 0 3 298.858 3.195 20 30 CGEDHN SCc1ccccc1N[C@H]1CNCc2ccsc21 ZINC001163229159 806729664 /nfs/dbraw/zinc/72/96/64/806729664.db2.gz GOQWIVDQMOXIPL-ZDUSSCGKSA-N 0 3 276.430 3.434 20 30 CGEDHN O/N=C1/CCc2cc(N[C@H]3CNCc4ccsc43)ccc21 ZINC001163230269 806730163 /nfs/dbraw/zinc/73/01/63/806730163.db2.gz NXUIMPOGWORKMS-NOMGLIDZSA-N 0 3 299.399 3.129 20 30 CGEDHN Cc1ccc(C[C@H](C)NC(=N)c2ccc(Cl)cn2)cc1 ZINC001255775404 806745947 /nfs/dbraw/zinc/74/59/47/806745947.db2.gz WRCGZBYTWQFTQJ-LBPRGKRZSA-N 0 3 287.794 3.380 20 30 CGEDHN C=CCOCCN[C@@H]1CCSc2c(F)cccc21 ZINC000385416801 799426333 /nfs/dbraw/zinc/42/63/33/799426333.db2.gz AFFKQFMYUBMQRC-CYBMUJFWSA-N 0 3 267.369 3.155 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1cccc2c1OCC2 ZINC000692985277 799805474 /nfs/dbraw/zinc/80/54/74/799805474.db2.gz ITQHWMDFUALZHI-GFCCVEGCSA-N 0 3 258.365 3.039 20 30 CGEDHN C[C@H]1CCC(C)(C)C[C@H]1NCc1nc(C#N)cs1 ZINC000717439791 800202742 /nfs/dbraw/zinc/20/27/42/800202742.db2.gz RCELXRRAMSRKOA-CMPLNLGQSA-N 0 3 263.410 3.319 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000809542139 800443523 /nfs/dbraw/zinc/44/35/23/800443523.db2.gz USRVBYHKNJZDRD-UHFFFAOYSA-N 0 3 253.320 3.439 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(C)CCCCCC2)CC1 ZINC001005506896 800698434 /nfs/dbraw/zinc/69/84/34/800698434.db2.gz FBZWJJOZKCRHDG-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cscc1Cl ZINC001027950598 800826545 /nfs/dbraw/zinc/82/65/45/800826545.db2.gz DJWNXQIQXXQKPM-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=Cc1ccc(C(=O)NC[C@H]2CCCN2CC(=C)C)cc1 ZINC001028156127 800833433 /nfs/dbraw/zinc/83/34/33/800833433.db2.gz LKIRXEBHXKPOKN-QGZVFWFLSA-N 0 3 284.403 3.100 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028283723 800840408 /nfs/dbraw/zinc/84/04/08/800840408.db2.gz OFTDVGLUGLZDOE-QGZVFWFLSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001028350195 800843874 /nfs/dbraw/zinc/84/38/74/800843874.db2.gz ZVXNSXOTTMTYTR-CQSZACIVSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CCC)cc1 ZINC001032594930 800932462 /nfs/dbraw/zinc/93/24/62/800932462.db2.gz YLWOGJLYVFFGOV-ROUUACIJSA-N 0 3 298.430 3.114 20 30 CGEDHN Cc1nc(N(CCC#N)Cc2cccnc2)cc2[nH]ccc21 ZINC001164010380 806875561 /nfs/dbraw/zinc/87/55/61/806875561.db2.gz TYKUZCDTDFYKFA-UHFFFAOYSA-N 0 3 291.358 3.187 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001034089632 801004277 /nfs/dbraw/zinc/00/42/77/801004277.db2.gz HHRZVTWDQZRFFP-INIZCTEOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034158336 801007118 /nfs/dbraw/zinc/00/71/18/801007118.db2.gz ZWFTUGXZGNQUJR-CQSZACIVSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001034180291 801009449 /nfs/dbraw/zinc/00/94/49/801009449.db2.gz GUDHZLGHSGOOLX-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034386935 801023255 /nfs/dbraw/zinc/02/32/55/801023255.db2.gz VWULNMBQZFONBF-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034543667 801031738 /nfs/dbraw/zinc/03/17/38/801031738.db2.gz IQEHSOZHPVPOOK-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001034549612 801033028 /nfs/dbraw/zinc/03/30/28/801033028.db2.gz LNXCIBSPIOKXHY-CQSZACIVSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038828293 801134307 /nfs/dbraw/zinc/13/43/07/801134307.db2.gz XWISSYXPJHOMBL-AWEZNQCLSA-N 0 3 294.345 3.004 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001038967446 801137243 /nfs/dbraw/zinc/13/72/43/801137243.db2.gz IQVWWFOJDFPTEM-INIZCTEOSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CCCCCC3)C[C@H]21 ZINC001041974183 801199276 /nfs/dbraw/zinc/19/92/76/801199276.db2.gz ZPCSRQOKNZHLEI-DOTOQJQBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc3occc3c2)C1 ZINC001046335519 801307778 /nfs/dbraw/zinc/30/77/78/801307778.db2.gz BGLZBSOSQPKJIO-SFHVURJKSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)(CC)CC ZINC001049815665 801389540 /nfs/dbraw/zinc/38/95/40/801389540.db2.gz QIBYBKNLBUZZOS-HOTGVXAUSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)cc(C)c1 ZINC001049863199 801391704 /nfs/dbraw/zinc/39/17/04/801391704.db2.gz LSUSDIKXXNKXGV-ZWKOTPCHSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457617 801536106 /nfs/dbraw/zinc/53/61/06/801536106.db2.gz KHQDYGZCTNYLGL-HOCLYGCPSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCC=CCC2)CC[C@H]1C ZINC001072079682 801563576 /nfs/dbraw/zinc/56/35/76/801563576.db2.gz QWZXORPHULDTLV-NVXWUHKLSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C)CC(=C)C1 ZINC001085324474 801682089 /nfs/dbraw/zinc/68/20/89/801682089.db2.gz BOCGOUBYZOUFFC-ZIAGYGMSSA-N 0 3 296.842 3.112 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875343 801709557 /nfs/dbraw/zinc/70/95/57/801709557.db2.gz YIJFHZINWDWMAX-OAHLLOKOSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085909440 801709855 /nfs/dbraw/zinc/70/98/55/801709855.db2.gz JQVXPGLDOHCECQ-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCCCNCC=C(Cl)Cl ZINC001164323307 806931375 /nfs/dbraw/zinc/93/13/75/806931375.db2.gz FQUUPLUPBIZQDY-NSHDSACASA-N 0 3 293.238 3.004 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001091188022 801854109 /nfs/dbraw/zinc/85/41/09/801854109.db2.gz SOQDUYAOBGAFDZ-JXQTWKCFSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)c1C)C2 ZINC001096469150 801890754 /nfs/dbraw/zinc/89/07/54/801890754.db2.gz AGRSVDRAZNZDED-NJAFHUGGSA-N 0 3 298.430 3.215 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1C)C2 ZINC001098279804 801909836 /nfs/dbraw/zinc/90/98/36/801909836.db2.gz VQSCDYGOJUQZBK-NXHRZFHOSA-N 0 3 298.430 3.215 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001099001743 801925191 /nfs/dbraw/zinc/92/51/91/801925191.db2.gz WHSBOAFMTQLEQK-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102407622 802007610 /nfs/dbraw/zinc/00/76/10/802007610.db2.gz FQRGQTSUSFHSMT-RTIZMKJZSA-N 0 3 298.858 3.025 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCCCC ZINC001114662578 802242365 /nfs/dbraw/zinc/24/23/65/802242365.db2.gz MGPKXUVUHNSZOJ-NCOADZHNSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCCCC ZINC001115318568 802256412 /nfs/dbraw/zinc/25/64/12/802256412.db2.gz VKLNKXUYDTYSML-LHHMISFZSA-N 0 3 292.467 3.215 20 30 CGEDHN C#CCN(Cc1ccc(C#N)cc1C(F)(F)F)CC1CC1 ZINC001118495101 802576875 /nfs/dbraw/zinc/57/68/75/802576875.db2.gz QHFVOGZATAVIEU-UHFFFAOYSA-N 0 3 292.304 3.422 20 30 CGEDHN C=CC1(CC(=O)Nc2cnc3c(c2)CNCC3)CCCCC1 ZINC001121930876 802851760 /nfs/dbraw/zinc/85/17/60/802851760.db2.gz WRVAVYMXHSVJGY-UHFFFAOYSA-N 0 3 299.418 3.192 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001123237012 802920113 /nfs/dbraw/zinc/92/01/13/802920113.db2.gz MAGXRZPTUIJOLE-WFASDCNBSA-N 0 3 299.349 3.097 20 30 CGEDHN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001123475652 802947478 /nfs/dbraw/zinc/94/74/78/802947478.db2.gz GFYLWWHWVCQYNW-JLLWLGSASA-N 0 3 278.302 3.362 20 30 CGEDHN C[NH+](C)CCOc1cccc(-c2ccccc2C=N[O-])c1 ZINC001243754760 802983267 /nfs/dbraw/zinc/98/32/67/802983267.db2.gz WEHSOQTYDMDFEG-UHFFFAOYSA-N 0 3 284.359 3.102 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CC2(C)CCCC2)CC[C@@H]1C ZINC001132014361 803366692 /nfs/dbraw/zinc/36/66/92/803366692.db2.gz VCTWEILPOOHERL-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@@H]1C ZINC001132079058 803373707 /nfs/dbraw/zinc/37/37/07/803373707.db2.gz SIESZWIKVPPRSH-JSGCOSHPSA-N 0 3 298.858 3.310 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001132248602 803387088 /nfs/dbraw/zinc/38/70/88/803387088.db2.gz HAODONQRXZBNSF-JKSUJKDBSA-N 0 3 278.440 3.278 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)CCC)CC[C@@H]1C ZINC001132252811 803387794 /nfs/dbraw/zinc/38/77/94/803387794.db2.gz KSRMIDZSZGKAMR-LSDHHAIUSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132273355 803389693 /nfs/dbraw/zinc/38/96/93/803389693.db2.gz FKXZKHKBFKGYJY-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1cccc(Cl)c1 ZINC001133379030 803471606 /nfs/dbraw/zinc/47/16/06/803471606.db2.gz RJQVBGNWSRUXLO-INIZCTEOSA-N 0 3 294.826 3.148 20 30 CGEDHN N#Cc1c(Cl)cccc1-c1ccc2nc(N)[nH]c2c1 ZINC001244723574 803513840 /nfs/dbraw/zinc/51/38/40/803513840.db2.gz IUYJSCUGUGCWAS-UHFFFAOYSA-N 0 3 268.707 3.337 20 30 CGEDHN N#Cc1c(Cl)cccc1-c1ccc2[nH]c(N)nc2c1 ZINC001244723574 803513842 /nfs/dbraw/zinc/51/38/42/803513842.db2.gz IUYJSCUGUGCWAS-UHFFFAOYSA-N 0 3 268.707 3.337 20 30 CGEDHN C=CCCCCN(C)Cc1cnc2cccc(C)n12 ZINC001137198990 803696681 /nfs/dbraw/zinc/69/66/81/803696681.db2.gz WXOWWMZFRFFKBC-UHFFFAOYSA-N 0 3 257.381 3.431 20 30 CGEDHN COc1ccc(CN(C)C2CCCCC2)c(C#N)c1 ZINC001137698482 803759661 /nfs/dbraw/zinc/75/96/61/803759661.db2.gz ZASRRXRLBZRRRA-UHFFFAOYSA-N 0 3 258.365 3.331 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H](F)CC2)cc1OC ZINC001138343742 803898990 /nfs/dbraw/zinc/89/89/90/803898990.db2.gz OSOLWNRLLIGHRY-HNNXBMFYSA-N 0 3 291.366 3.031 20 30 CGEDHN C#CCOc1ccc(CN2CC(c3ccccc3)C2)cc1 ZINC001138557601 803968731 /nfs/dbraw/zinc/96/87/31/803968731.db2.gz NALDRJNWAIHXTC-UHFFFAOYSA-N 0 3 277.367 3.298 20 30 CGEDHN COc1ccc2c(CN3CCC(C)(C#N)CC3)c[nH]c2c1 ZINC001138590743 803976601 /nfs/dbraw/zinc/97/66/01/803976601.db2.gz YVCPFLZRLAUUTQ-UHFFFAOYSA-N 0 3 283.375 3.302 20 30 CGEDHN CC1(C#N)CCN(Cc2ccccc2N2CCCC2)CC1 ZINC001138613538 803980662 /nfs/dbraw/zinc/98/06/62/803980662.db2.gz KPPREHSQYVACIV-UHFFFAOYSA-N 0 3 283.419 3.412 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](F)CC2)c1[O-] ZINC001138624354 803982793 /nfs/dbraw/zinc/98/27/93/803982793.db2.gz FICJUMFKGHUAHT-HNNXBMFYSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](F)CC2)c1[O-] ZINC001138624354 803982796 /nfs/dbraw/zinc/98/27/96/803982796.db2.gz FICJUMFKGHUAHT-HNNXBMFYSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(CN2CCc3ncc(C)cc3C2)c1O ZINC001138629522 803985746 /nfs/dbraw/zinc/98/57/46/803985746.db2.gz BUEHFMUVXXCIKK-UHFFFAOYSA-N 0 3 294.398 3.382 20 30 CGEDHN N#Cc1ccc(Oc2ccc(CN3C[C@@H]4C[C@@H]4C3)cn2)cc1 ZINC001139427259 804188578 /nfs/dbraw/zinc/18/85/78/804188578.db2.gz ZRYQZQNGCQAGCC-IYBDPMFKSA-N 0 3 291.354 3.197 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)cc1F ZINC001139527155 804202331 /nfs/dbraw/zinc/20/23/31/804202331.db2.gz YYWZKYGVNYPHEB-ZFWWWQNUSA-N 0 3 258.340 3.319 20 30 CGEDHN COCC[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC001139651982 804244315 /nfs/dbraw/zinc/24/43/15/804244315.db2.gz ZTVLFEFVQTYDRV-OAHLLOKOSA-N 0 3 276.355 3.088 20 30 CGEDHN C=CCn1cc(CN(C)[C@H](C)Cc2ccccc2OC)cn1 ZINC001139771375 804278263 /nfs/dbraw/zinc/27/82/63/804278263.db2.gz YCNGMSAABITNBY-OAHLLOKOSA-N 0 3 299.418 3.141 20 30 CGEDHN C=CCn1cc(CN(C)CCc2ccc(C)cc2)cn1 ZINC001139772884 804280334 /nfs/dbraw/zinc/28/03/34/804280334.db2.gz SHRDHDXUOYXFFG-UHFFFAOYSA-N 0 3 269.392 3.052 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)CC(C)(C)CC(F)F ZINC001139869376 804304154 /nfs/dbraw/zinc/30/41/54/804304154.db2.gz HVTPADXGEMJDIO-UHFFFAOYSA-N 0 3 290.398 3.024 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CCCC3)C2)cn1 ZINC001140540232 804456424 /nfs/dbraw/zinc/45/64/24/804456424.db2.gz NKKOEDDRKKVPRN-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN N#Cc1ccc(CN2CCC3(C2)CCCCC3)cn1 ZINC001140547573 804458094 /nfs/dbraw/zinc/45/80/94/804458094.db2.gz UWGUYZXIVUKNCO-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)cn1 ZINC001140543467 804458785 /nfs/dbraw/zinc/45/87/85/804458785.db2.gz AOHGXCJFVBYDPJ-INIZCTEOSA-N 0 3 277.371 3.018 20 30 CGEDHN C=CCC1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001140633220 804478570 /nfs/dbraw/zinc/47/85/70/804478570.db2.gz GJRXYVSPJKEONT-GASCZTMLSA-N 0 3 278.440 3.112 20 30 CGEDHN N#CC1CCC(N2CCc3ccc(F)cc3C2)CC1 ZINC001256969774 807021160 /nfs/dbraw/zinc/02/11/60/807021160.db2.gz NSBPCAJDQPONLI-UHFFFAOYSA-N 0 3 258.340 3.266 20 30 CGEDHN N#Cc1c(N)sc(CN2CC[C@H]3CCC[C@H]3C2)c1Cl ZINC001141106547 804589632 /nfs/dbraw/zinc/58/96/32/804589632.db2.gz BPALWNQJKZNZTC-ZJUUUORDSA-N 0 3 295.839 3.477 20 30 CGEDHN N#Cc1c(N)sc(CN2CC[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001141106545 804590024 /nfs/dbraw/zinc/59/00/24/804590024.db2.gz BPALWNQJKZNZTC-VHSXEESVSA-N 0 3 295.839 3.477 20 30 CGEDHN CC(C)N(Cc1sc(N)c(C#N)c1Cl)CC1CC1 ZINC001141112066 804592098 /nfs/dbraw/zinc/59/20/98/804592098.db2.gz NUJNOFGKMYOERR-UHFFFAOYSA-N 0 3 283.828 3.476 20 30 CGEDHN COCCN(C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141287926 804628316 /nfs/dbraw/zinc/62/83/16/804628316.db2.gz WCUDBEBCSXXQDM-UHFFFAOYSA-N 0 3 296.370 3.429 20 30 CGEDHN C=CCNCc1nc2cc(C)c(C(F)(F)F)cc2[nH]1 ZINC001247015505 804642958 /nfs/dbraw/zinc/64/29/58/804642958.db2.gz RMJZUNAKEYWATH-UHFFFAOYSA-N 0 3 269.270 3.166 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)OCC1CCCCC1 ZINC001212445876 815029977 /nfs/dbraw/zinc/02/99/77/815029977.db2.gz VKSCEUCEGGRWKN-UHFFFAOYSA-N 0 3 282.428 3.143 20 30 CGEDHN CSc1ccc(CN2CCC3SC(=O)C=C3C2)s1 ZINC001142020180 804688862 /nfs/dbraw/zinc/68/88/62/804688862.db2.gz AIRABZPHJCDYNB-NSHDSACASA-N 0 3 297.470 3.244 20 30 CGEDHN CN(C)CCc1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247445262 804738545 /nfs/dbraw/zinc/73/85/45/804738545.db2.gz CMJYRRTZECJKGY-UHFFFAOYSA-N 0 3 298.390 3.010 20 30 CGEDHN CCN(Cc1c[nH]c2cc(C#N)ccc12)Cc1ccncc1 ZINC001142912140 804783765 /nfs/dbraw/zinc/78/37/65/804783765.db2.gz WDIBJHDHNFXRMG-UHFFFAOYSA-N 0 3 290.370 3.457 20 30 CGEDHN COc1cc(C)cc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001143156237 804811088 /nfs/dbraw/zinc/81/10/88/804811088.db2.gz HVZJVSVGFSUROT-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN N#Cc1cncc(CN2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001144083857 804935541 /nfs/dbraw/zinc/93/55/41/804935541.db2.gz SZTXMGKDHNGMQV-OAHLLOKOSA-N 0 3 273.355 3.057 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c3ccoc3ccc2F)C1 ZINC001248541815 804946209 /nfs/dbraw/zinc/94/62/09/804946209.db2.gz LGHUPPPGESWSAX-GFCCVEGCSA-N 0 3 257.308 3.417 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](Oc3ccncc3C)C2)cc1 ZINC001144581550 805011859 /nfs/dbraw/zinc/01/18/59/805011859.db2.gz WJLUWADTXHHINF-GOSISDBHSA-N 0 3 292.382 3.025 20 30 CGEDHN N#Cc1ccc2cc(CN3CC[C@]4(C3)CCCCO4)[nH]c2c1 ZINC001249426648 805146388 /nfs/dbraw/zinc/14/63/88/805146388.db2.gz BCHQOOLZJGVJHY-SFHVURJKSA-N 0 3 295.386 3.185 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249524971 805164272 /nfs/dbraw/zinc/16/42/72/805164272.db2.gz UUNBGFNURXSXCO-GFCCVEGCSA-N 0 3 271.339 3.433 20 30 CGEDHN CC#CCNCCNC(=O)[C@](C)(CC)CCCCCC ZINC001151683188 805306086 /nfs/dbraw/zinc/30/60/86/805306086.db2.gz CGTOUVNKGUJHPT-QGZVFWFLSA-N 0 3 280.456 3.102 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(c2ncccn2)CC1 ZINC001258044270 807273527 /nfs/dbraw/zinc/27/35/27/807273527.db2.gz ZUKMZRGCOWZMHS-MRXNPFEDSA-N 0 3 290.455 3.348 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(CCF)CC1 ZINC001258049948 807275831 /nfs/dbraw/zinc/27/58/31/807275831.db2.gz QKQUNQXJMUQJAO-HNNXBMFYSA-N 0 3 258.425 3.323 20 30 CGEDHN CCOC(=O)C1(C#N)CCN([C@H](C)CCC=C(C)C)CC1 ZINC001258095722 807304179 /nfs/dbraw/zinc/30/41/79/807304179.db2.gz JNNMOTUCJZDSPQ-OAHLLOKOSA-N 0 3 292.423 3.290 20 30 CGEDHN C[C@@H]1C[C@H](NCc2ncc(C#N)s2)CC(C)(C)C1 ZINC001258689418 807546237 /nfs/dbraw/zinc/54/62/37/807546237.db2.gz GBVJYMZUGVYBNA-MNOVXSKESA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCC[C@@H](C)N[C@H](CO)c1ccccc1Cl ZINC001258723534 807570884 /nfs/dbraw/zinc/57/08/84/807570884.db2.gz XHDHSCMCJVSKFL-BXUZGUMPSA-N 0 3 253.773 3.318 20 30 CGEDHN C=CCC[C@H](C)N1CCN(c2nc3ccccc3o2)CC1 ZINC001258730073 807575745 /nfs/dbraw/zinc/57/57/45/807575745.db2.gz ANKSNBCCUYCOFT-AWEZNQCLSA-N 0 3 285.391 3.305 20 30 CGEDHN CC[C@H](C)C[C@H](CC)NC(=N)c1ccc(F)cn1 ZINC001258781696 807608189 /nfs/dbraw/zinc/60/81/89/807608189.db2.gz ZEROASDVVTXWOY-JQWIXIFHSA-N 0 3 251.349 3.141 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001261179225 807712954 /nfs/dbraw/zinc/71/29/54/807712954.db2.gz FLXSBMJNEFSCIA-LLVKDONJSA-N 0 3 293.292 3.002 20 30 CGEDHN C#CCOCCN(C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001261262383 807725658 /nfs/dbraw/zinc/72/56/58/807725658.db2.gz VYDPOKTULNLXAU-CYBMUJFWSA-N 0 3 299.336 3.434 20 30 CGEDHN Cc1nc2ccc(NCc3ccc(C#N)c(F)c3)cc2[nH]1 ZINC001170093955 807757012 /nfs/dbraw/zinc/75/70/12/807757012.db2.gz FITZOYXEANETIQ-UHFFFAOYSA-N 0 3 280.306 3.494 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3cc(F)cc(F)c3C2)o1 ZINC001170678160 807872860 /nfs/dbraw/zinc/87/28/60/807872860.db2.gz WHLLRNJFAJXLDI-GFCCVEGCSA-N 0 3 288.297 3.077 20 30 CGEDHN C=CCC[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001262654218 807888055 /nfs/dbraw/zinc/88/80/55/807888055.db2.gz APYSOZIZHAKRPH-KRWDZBQOSA-N 0 3 286.419 3.319 20 30 CGEDHN C=C[C@H]1C[C@]1(Nc1ccc2cnc(C)cc2c1)C(=O)OCC ZINC001170927565 807937493 /nfs/dbraw/zinc/93/74/93/807937493.db2.gz LFVLOKXUNIGGMT-MAUKXSAKSA-N 0 3 296.370 3.463 20 30 CGEDHN N#CC(C(=O)[C@H]1CC12CC2)c1nc2c(cccc2Cl)[nH]1 ZINC001263619873 807979432 /nfs/dbraw/zinc/97/94/32/807979432.db2.gz FYCNSMGTFSFJCS-DTWKUNHWSA-N 0 3 285.734 3.193 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)CCC(C)(C)C ZINC001171153412 807998899 /nfs/dbraw/zinc/99/88/99/807998899.db2.gz SXJVQRBDWYVTTG-GFCCVEGCSA-N 0 3 288.863 3.297 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1nc2ccccc2o1 ZINC001171176944 808001249 /nfs/dbraw/zinc/00/12/49/808001249.db2.gz YICJQUWZOXOBSE-ZDUSSCGKSA-N 0 3 291.354 3.420 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001263817380 808008610 /nfs/dbraw/zinc/00/86/10/808008610.db2.gz UQEGOURIIMLFJJ-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001263831270 808009538 /nfs/dbraw/zinc/00/95/38/808009538.db2.gz JCTZJKGAJCVDND-FPMFFAJLSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C/C=C(\C)C=C ZINC001264184039 808044186 /nfs/dbraw/zinc/04/41/86/808044186.db2.gz BYDOBRCDLXWISO-KMPOOHAWSA-N 0 3 276.424 3.008 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC(C)=C(C)C)C1 ZINC001264473789 808073950 /nfs/dbraw/zinc/07/39/50/808073950.db2.gz XTWQKMBQIMCTFL-LSDHHAIUSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)C(CC)CC)[C@H]1C ZINC001264709513 808088669 /nfs/dbraw/zinc/08/86/69/808088669.db2.gz XPGXLQOEFSNICV-FMKPAKJESA-N 0 3 280.456 3.214 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001265080245 808108797 /nfs/dbraw/zinc/10/87/97/808108797.db2.gz PAWJDZYWFVQRLW-OFCDUSSDSA-N 0 3 298.858 3.454 20 30 CGEDHN CCC[C@](C)(C#N)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171738535 808128355 /nfs/dbraw/zinc/12/83/55/808128355.db2.gz KGZPLEAESOEPEA-CGTJXYLNSA-N 0 3 285.435 3.321 20 30 CGEDHN C=CC1(CC(=O)N[C@@H]2CCN(CCCF)C2)CCCCC1 ZINC001265308080 808128730 /nfs/dbraw/zinc/12/87/30/808128730.db2.gz LLVRIOIAIPLCIN-OAHLLOKOSA-N 0 3 296.430 3.063 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001265312453 808130737 /nfs/dbraw/zinc/13/07/37/808130737.db2.gz NSNCBWODUAFNOX-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001265575755 808155539 /nfs/dbraw/zinc/15/55/39/808155539.db2.gz LLDFGRUMSIPWGG-IAGOWNOFSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001265705959 808172644 /nfs/dbraw/zinc/17/26/44/808172644.db2.gz PDRMTZRAFSDBOG-AEOIHIIDSA-N 0 3 298.858 3.312 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCCN(C)Cc1ccsc1 ZINC001265917353 808193243 /nfs/dbraw/zinc/19/32/43/808193243.db2.gz LGPNMCUQCJQEMP-INIZCTEOSA-N 0 3 294.464 3.289 20 30 CGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=C)Cl ZINC001265998876 808200544 /nfs/dbraw/zinc/20/05/44/808200544.db2.gz VUPPTBSJSYAIMG-HUUCEWRRSA-N 0 3 298.858 3.454 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ncccc1Cl ZINC001172302668 808221501 /nfs/dbraw/zinc/22/15/01/808221501.db2.gz OJTWUPBAACRAAR-LBPRGKRZSA-N 0 3 285.778 3.327 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCCC1(C)C ZINC001266170190 808222541 /nfs/dbraw/zinc/22/25/41/808222541.db2.gz OGQNLJCKJUGZIF-STQMWFEESA-N 0 3 286.847 3.050 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCc2occc2C1 ZINC001172311807 808224781 /nfs/dbraw/zinc/22/47/81/808224781.db2.gz YQQMXJXIGWPCSL-CYBMUJFWSA-N 0 3 266.344 3.141 20 30 CGEDHN CC[C@H](C)OCC[C@H](C)NC1(CC#N)CCCC1 ZINC001172337450 808239453 /nfs/dbraw/zinc/23/94/53/808239453.db2.gz KJHAENLZHLUADB-KBPBESRZSA-N 0 3 252.402 3.396 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CC2(C1)CS(=O)C2 ZINC001172355972 808250947 /nfs/dbraw/zinc/25/09/47/808250947.db2.gz FKZPQEOPJHCFFA-CQSZACIVSA-N 0 3 271.470 3.190 20 30 CGEDHN CCCCCCC[C@H](CC)N1CC(N2CCOCC2)C1 ZINC001172356554 808252794 /nfs/dbraw/zinc/25/27/94/808252794.db2.gz WWKSOGGNZKEDOD-INIZCTEOSA-N 0 3 282.472 3.142 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CCN(C(=O)NC)CC1 ZINC001172362357 808257214 /nfs/dbraw/zinc/25/72/14/808257214.db2.gz WPSHIFANKGFITN-OAHLLOKOSA-N 0 3 283.460 3.083 20 30 CGEDHN CC[C@@H](CC(C)C)NC(=N)c1ccc(Cl)cn1 ZINC001172388599 808280360 /nfs/dbraw/zinc/28/03/60/808280360.db2.gz FYXXAKVJFSODML-NSHDSACASA-N 0 3 253.777 3.265 20 30 CGEDHN C#CCCCCC(=O)NC[C@H]1CCCCN1CC=C(C)C ZINC001266839904 808320942 /nfs/dbraw/zinc/32/09/42/808320942.db2.gz LDUOFUMRBLZHJX-QGZVFWFLSA-N 0 3 290.451 3.117 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](CC)CCC ZINC001266857577 808326364 /nfs/dbraw/zinc/32/63/64/808326364.db2.gz NGAJKOZZMXGAMW-JKSUJKDBSA-N 0 3 280.456 3.360 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001267320638 808414295 /nfs/dbraw/zinc/41/42/95/808414295.db2.gz QLAOULILYPMKBL-IAGOWNOFSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@H]1CCC1(C)C)c1ccccc1 ZINC001267518642 808437829 /nfs/dbraw/zinc/43/78/29/808437829.db2.gz BNGRESGNFYQJMV-HZPDHXFCSA-N 0 3 286.419 3.056 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)C#CC(C)(C)C)c1ccccc1 ZINC001267521887 808438348 /nfs/dbraw/zinc/43/83/48/808438348.db2.gz WWYCRIIFDRDSJQ-QGZVFWFLSA-N 0 3 298.430 3.059 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001267563416 808448501 /nfs/dbraw/zinc/44/85/01/808448501.db2.gz YQZATWICXAXAFD-OVUXIIJLSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)C2CCCC2)C1 ZINC001267789696 808493783 /nfs/dbraw/zinc/49/37/83/808493783.db2.gz JZFWJISJMQDCEF-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCCC(C)C)C1 ZINC001267970502 808523071 /nfs/dbraw/zinc/52/30/71/808523071.db2.gz STYZZFVUTHWIIG-MRXNPFEDSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001268254234 808569974 /nfs/dbraw/zinc/56/99/74/808569974.db2.gz MFEQYVFWLSDSMD-JKSUJKDBSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001268740542 808620027 /nfs/dbraw/zinc/62/00/27/808620027.db2.gz ULWDTUGWYXSIRM-CQSZACIVSA-N 0 3 294.483 3.461 20 30 CGEDHN CCCN(CCC#N)C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173618606 808653599 /nfs/dbraw/zinc/65/35/99/808653599.db2.gz RKCKARJAFFUJEP-CKDBGZEDSA-N 0 3 292.423 3.124 20 30 CGEDHN COc1ccc(C#N)cc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213075492 815225633 /nfs/dbraw/zinc/22/56/33/815225633.db2.gz UKQKDKIFZBIFJT-UHFFFAOYSA-N 0 3 278.315 3.495 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001269301265 808665911 /nfs/dbraw/zinc/66/59/11/808665911.db2.gz IVUZIVKYPJEIKF-DUMMIQTOSA-N 0 3 298.430 3.117 20 30 CGEDHN C#CCCCCC(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1 ZINC001269317914 808669061 /nfs/dbraw/zinc/66/90/61/808669061.db2.gz HOBGTVDCQHROIO-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001269582801 808690063 /nfs/dbraw/zinc/69/00/63/808690063.db2.gz ACOAPAXVDVQJLR-BBWFWOEESA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001271008110 808759266 /nfs/dbraw/zinc/75/92/66/808759266.db2.gz URNGZYYVVWGTHV-SJLPKXTDSA-N 0 3 294.483 3.463 20 30 CGEDHN Cc1cc(Nc2ccccc2CN(C)C)cnc1C#N ZINC001173929171 808768155 /nfs/dbraw/zinc/76/81/55/808768155.db2.gz YHBOOZJPGQXSMG-UHFFFAOYSA-N 0 3 266.348 3.067 20 30 CGEDHN CCCCCCCCCN1CC2(C[C@@H]2C(=O)N(C)C)C1 ZINC001277233952 809064764 /nfs/dbraw/zinc/06/47/64/809064764.db2.gz TWNNQKSASAJYEO-OAHLLOKOSA-N 0 3 280.456 3.147 20 30 CGEDHN Cc1cnccc1Nc1cc(C(F)(F)F)c(C#N)cc1N ZINC001174538923 809070268 /nfs/dbraw/zinc/07/02/68/809070268.db2.gz VFSCKHWBZWRGMW-UHFFFAOYSA-N 0 3 292.264 3.028 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H](C)NC[C@@H](F)CC)CCCC1 ZINC001278035900 809113095 /nfs/dbraw/zinc/11/30/95/809113095.db2.gz VRUGWYNDLXIULA-GJZGRUSLSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(C)CCC(=O)NCC1=CCN(CC=C(C)C)CC1 ZINC001279565507 809174172 /nfs/dbraw/zinc/17/41/72/809174172.db2.gz PPAPJFFKBJPKSE-UHFFFAOYSA-N 0 3 276.424 3.057 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CC2(C)CC2)cc1 ZINC001280355025 809186392 /nfs/dbraw/zinc/18/63/92/809186392.db2.gz WOYOMRBINNVEIV-HNNXBMFYSA-N 0 3 298.430 3.167 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001282666162 809258527 /nfs/dbraw/zinc/25/85/27/809258527.db2.gz JIWFZOWVQAIJBB-AEFFLSMTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCCCCN1CC=C ZINC001282668456 809259761 /nfs/dbraw/zinc/25/97/61/809259761.db2.gz YSWWOZIPTQPFNQ-KRWDZBQOSA-N 0 3 290.451 3.302 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H](C)C1CC1)C(C)C ZINC001284558465 809309741 /nfs/dbraw/zinc/30/97/41/809309741.db2.gz MHLSRICHOSFSNG-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H](C)C1CC1)C(C)C ZINC001284558466 809310058 /nfs/dbraw/zinc/31/00/58/809310058.db2.gz MHLSRICHOSFSNG-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN N#Cc1cc(Cl)c(Cl)cc1Nc1ncc[nH]1 ZINC001176091289 809620498 /nfs/dbraw/zinc/62/04/98/809620498.db2.gz XFPJCTAMZIEICR-UHFFFAOYSA-N 0 3 253.092 3.332 20 30 CGEDHN N#Cc1c(Nc2ncc[nH]2)cccc1C(F)(F)F ZINC001176084689 809619149 /nfs/dbraw/zinc/61/91/49/809619149.db2.gz STGAOBRDXQHLCL-UHFFFAOYSA-N 0 3 252.199 3.044 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CCCC1CCCC1 ZINC001177096775 809780008 /nfs/dbraw/zinc/78/00/08/809780008.db2.gz YVJLZMGRXOSTRL-UHFFFAOYSA-N 0 3 286.847 3.195 20 30 CGEDHN COc1nsc(CNCC2CCC(C#N)CC2)c1Cl ZINC001178561828 809876758 /nfs/dbraw/zinc/87/67/58/809876758.db2.gz QYONYCIAVVNBKV-UHFFFAOYSA-N 0 3 299.827 3.225 20 30 CGEDHN C#CC1(NCc2ccc(OC)c(OC)c2C)CCCC1 ZINC001179437275 809920825 /nfs/dbraw/zinc/92/08/25/809920825.db2.gz DDBSWVZUCKNUGU-UHFFFAOYSA-N 0 3 273.376 3.048 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(OCc2cccc(OC)c2)cc1 ZINC001181645633 810062062 /nfs/dbraw/zinc/06/20/62/810062062.db2.gz FYFCZPSFDRHUEF-OAHLLOKOSA-N 0 3 295.382 3.386 20 30 CGEDHN C#Cc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1F ZINC001187295305 810393449 /nfs/dbraw/zinc/39/34/49/810393449.db2.gz ZTVRMTSYYATITP-UHFFFAOYSA-N 0 3 296.345 3.121 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCC3CCCC3)[C@@H]2C1 ZINC001190394178 810625916 /nfs/dbraw/zinc/62/59/16/810625916.db2.gz JIYBZKBMBSJNER-DLBZAZTESA-N 0 3 290.451 3.066 20 30 CGEDHN CCCCCCCCNC(=O)N1CCC2(CN(C)C2)CC1 ZINC001191068219 810669767 /nfs/dbraw/zinc/66/97/67/810669767.db2.gz ILQIVQPQMOWFHV-UHFFFAOYSA-N 0 3 295.471 3.084 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1CCCN(C)CC1 ZINC001192920064 810829441 /nfs/dbraw/zinc/82/94/41/810829441.db2.gz QCFLNCFUBYXREI-HNNXBMFYSA-N 0 3 283.460 3.083 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192977090 810837844 /nfs/dbraw/zinc/83/78/44/810837844.db2.gz HNYJYAXCLHLCSN-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ccncc1C#N ZINC001193459104 810891482 /nfs/dbraw/zinc/89/14/82/810891482.db2.gz APMDNXMXILITDE-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CC[C@@H](C(=O)N1CC[C@H](N(C)CC=C)C1)c1ccccc1 ZINC001194174867 811028154 /nfs/dbraw/zinc/02/81/54/811028154.db2.gz ZGXXUKPKBSHJQU-ZWKOTPCHSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001196790911 811366957 /nfs/dbraw/zinc/36/69/57/811366957.db2.gz QKZDKVHJGBIFMM-INIZCTEOSA-N 0 3 298.446 3.261 20 30 CGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001196854817 811375987 /nfs/dbraw/zinc/37/59/87/811375987.db2.gz UKNCMLWUGCSBKI-IIAQQRLMSA-N 0 3 292.467 3.335 20 30 CGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001196854745 811376240 /nfs/dbraw/zinc/37/62/40/811376240.db2.gz SSBJFHHEPAQHQY-CVEARBPZSA-N 0 3 298.446 3.119 20 30 CGEDHN C#CCCN1CCCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001197263066 811408069 /nfs/dbraw/zinc/40/80/69/811408069.db2.gz VYZVMPNXHUWVQS-INIZCTEOSA-N 0 3 292.467 3.006 20 30 CGEDHN C#CCN(Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC001197937315 811465947 /nfs/dbraw/zinc/46/59/47/811465947.db2.gz LRINZXDCMABFPY-UHFFFAOYSA-N 0 3 260.337 3.137 20 30 CGEDHN C=CCCCN(CC)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001198458531 811505728 /nfs/dbraw/zinc/50/57/28/811505728.db2.gz SVLRHJGKIYLBMW-INIZCTEOSA-N 0 3 290.382 3.219 20 30 CGEDHN CCCCCCCN1CC(N2CCC(F)(F)CC2)C1 ZINC001201788038 811964990 /nfs/dbraw/zinc/96/49/90/811964990.db2.gz UBOJOUDJXRAOAR-UHFFFAOYSA-N 0 3 274.399 3.372 20 30 CGEDHN CCCCCCCCCN1C[C@H](F)C[C@H](CO)C1 ZINC001201838881 811968939 /nfs/dbraw/zinc/96/89/39/811968939.db2.gz GBXRDLQZDYNAAK-LSDHHAIUSA-N 0 3 259.409 3.389 20 30 CGEDHN CCCCCCCCCN(C)C1CCS(=O)(=O)CC1 ZINC001201852805 811972272 /nfs/dbraw/zinc/97/22/72/811972272.db2.gz MKYOJALFKIXEHG-UHFFFAOYSA-N 0 3 289.485 3.246 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(CC)CC)C12CCC2 ZINC001202521255 812113726 /nfs/dbraw/zinc/11/37/26/812113726.db2.gz MMKUCKKTFINMHO-UONOGXRCSA-N 0 3 298.858 3.192 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC001203283027 812289218 /nfs/dbraw/zinc/28/92/18/812289218.db2.gz NZNWAEGIHATUMF-GFCCVEGCSA-N 0 3 292.338 3.366 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(F)c(Cl)c3)CCC2S1 ZINC001204280918 812596417 /nfs/dbraw/zinc/59/64/17/812596417.db2.gz SMNAAXNUDQZFCX-ZDUSSCGKSA-N 0 3 297.782 3.253 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001204352088 812617533 /nfs/dbraw/zinc/61/75/33/812617533.db2.gz OKTGSTFNMZKUSO-OAHLLOKOSA-N 0 3 273.401 3.078 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC001204421723 812634488 /nfs/dbraw/zinc/63/44/88/812634488.db2.gz HCVALSOZZFNEBL-GFCCVEGCSA-N 0 3 280.318 3.414 20 30 CGEDHN N#C[C@H]1CCCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC001204421724 812634558 /nfs/dbraw/zinc/63/45/58/812634558.db2.gz HCVALSOZZFNEBL-LBPRGKRZSA-N 0 3 280.318 3.414 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccccc2OCC)no1 ZINC001206094705 813198018 /nfs/dbraw/zinc/19/80/18/813198018.db2.gz VADXDZPDCSWUDA-UHFFFAOYSA-N 0 3 299.374 3.244 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)ccc2C)no1 ZINC001206094399 813198202 /nfs/dbraw/zinc/19/82/02/813198202.db2.gz LNMHESKCKMLAST-UHFFFAOYSA-N 0 3 287.338 3.293 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C)cc2OC)no1 ZINC001206094537 813198750 /nfs/dbraw/zinc/19/87/50/813198750.db2.gz OOQXESPFTXUCCB-UHFFFAOYSA-N 0 3 299.374 3.163 20 30 CGEDHN N#CCC1CN(CCCc2ccc(Br)cc2)C1 ZINC001207317121 813539559 /nfs/dbraw/zinc/53/95/59/813539559.db2.gz FZKSDWLGJPNEPZ-UHFFFAOYSA-N 0 3 293.208 3.227 20 30 CGEDHN C=CCN1CCN(CCCC2CCCCC2)CC1 ZINC001207608644 813610963 /nfs/dbraw/zinc/61/09/63/813610963.db2.gz ZYEHIKIHFSMELT-UHFFFAOYSA-N 0 3 250.430 3.151 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCC[C@@]3(CCC(=O)O3)C2)CC1 ZINC001208178174 813729437 /nfs/dbraw/zinc/72/94/37/813729437.db2.gz LVOZXWNVMCZQHX-SJLPKXTDSA-N 0 3 289.419 3.461 20 30 CGEDHN N#Cc1cccc(CCCN2CCC[C@H]2c2cnccn2)c1 ZINC001208853846 813865816 /nfs/dbraw/zinc/86/58/16/813865816.db2.gz YTEFDJLKDQFOAV-SFHVURJKSA-N 0 3 292.386 3.118 20 30 CGEDHN C[C@H](CN1CC[C@@](CF)(C(F)(F)F)C1)C(F)(F)F ZINC001208896557 813886866 /nfs/dbraw/zinc/88/68/66/813886866.db2.gz WVCYQSGAEAKDQR-SFYZADRCSA-N 0 3 281.215 3.409 20 30 CGEDHN C=CCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC ZINC001209160338 813952460 /nfs/dbraw/zinc/95/24/60/813952460.db2.gz ROPKSYMPODOWOT-AWEZNQCLSA-N 0 3 282.428 3.284 20 30 CGEDHN C#CCCCN(Cc1ccccc1)Cc1ccncc1 ZINC001209260750 813986572 /nfs/dbraw/zinc/98/65/72/813986572.db2.gz FTIKURWUBXPEHC-UHFFFAOYSA-N 0 3 264.372 3.497 20 30 CGEDHN C=CCCCCCN1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001209423329 814026888 /nfs/dbraw/zinc/02/68/88/814026888.db2.gz SJMHIXRYMLZSHQ-MRXNPFEDSA-N 0 3 291.439 3.102 20 30 CGEDHN C=CCCCCCCCCN1CC(C(=O)OC)C1 ZINC001209443502 814042538 /nfs/dbraw/zinc/04/25/38/814042538.db2.gz UDRUDNUQHLLEQP-UHFFFAOYSA-N 0 3 253.386 3.008 20 30 CGEDHN C=CCCCCCCCCCO[C@H]1CNC[C@@H]1C#N ZINC001217833971 815973583 /nfs/dbraw/zinc/97/35/83/815973583.db2.gz UPUMWEJYROIMOO-HOTGVXAUSA-N 0 3 264.413 3.421 20 30 CGEDHN CCCCCCCC[C@H](C)OC[C@H]1CNCCO1 ZINC001217889398 815990218 /nfs/dbraw/zinc/99/02/18/815990218.db2.gz BHXCEIVOMSHXDQ-LSDHHAIUSA-N 0 3 257.418 3.131 20 30 CGEDHN C#C[C@H](Oc1ccc2c(n1)CCNC2)[C@H](CC)CCCC ZINC001218291656 816154540 /nfs/dbraw/zinc/15/45/40/816154540.db2.gz JIWJYDHBZDUWKY-PBHICJAKSA-N 0 3 286.419 3.324 20 30 CGEDHN Cc1c(C#N)cccc1O[C@H]1CNCc2ccccc21 ZINC001218487930 816243726 /nfs/dbraw/zinc/24/37/26/816243726.db2.gz QDLWIFOBEHWWQX-KRWDZBQOSA-N 0 3 264.328 3.090 20 30 CGEDHN C=CCCCO[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001224511859 816817970 /nfs/dbraw/zinc/81/79/70/816817970.db2.gz VJOVYBFIBXHCKG-HUUCEWRRSA-N 0 3 260.381 3.200 20 30 CGEDHN CC(C)N1CCC[C@H](Oc2nc(C3CC3)ccc2C#N)C1 ZINC001226263669 817315313 /nfs/dbraw/zinc/31/53/13/817315313.db2.gz FGMJOUHISJUHPW-HNNXBMFYSA-N 0 3 285.391 3.082 20 30 CGEDHN CCN1CC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226999118 817530208 /nfs/dbraw/zinc/53/02/08/817530208.db2.gz HNCUJEBZMOPPHA-GFCCVEGCSA-N 0 3 284.281 3.050 20 30 CGEDHN CCN1CCC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001227000644 817530291 /nfs/dbraw/zinc/53/02/91/817530291.db2.gz IFIIBTXBQKBWOA-ZDUSSCGKSA-N 0 3 298.308 3.440 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCC1CC1 ZINC001231350653 818082682 /nfs/dbraw/zinc/08/26/82/818082682.db2.gz UBLOQNYBSNCJAE-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@]3(CCO3)C2)c1 ZINC001231625265 818141067 /nfs/dbraw/zinc/14/10/67/818141067.db2.gz RJQWTPSEIMTHJJ-KRWDZBQOSA-N 0 3 273.376 3.006 20 30 CGEDHN C#Cc1cccc(CN2CCC(Oc3ccncc3)CC2)c1 ZINC001231656150 818150904 /nfs/dbraw/zinc/15/09/04/818150904.db2.gz FSYAKVODINQXHU-UHFFFAOYSA-N 0 3 292.382 3.106 20 30 CGEDHN COc1cccc2[nH]cc(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c21 ZINC001232036486 818238091 /nfs/dbraw/zinc/23/80/91/818238091.db2.gz ICDISPVFNFKESY-XMQYKBBCSA-N 0 3 295.386 3.443 20 30 CGEDHN CN(Cc1ccc(C#N)c(Cl)c1)C[C@H]1CCCCO1 ZINC001232114984 818258887 /nfs/dbraw/zinc/25/88/87/818258887.db2.gz BOTFCXDDHGYQMJ-CQSZACIVSA-N 0 3 278.783 3.213 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2ccnc3c(F)cccc23)CC1 ZINC001232211309 818278831 /nfs/dbraw/zinc/27/88/31/818278831.db2.gz BXMGAGNRIBCOCY-CYBMUJFWSA-N 0 3 283.350 3.500 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4c3CCCC4)CCC2S1 ZINC001232635063 818407287 /nfs/dbraw/zinc/40/72/87/818407287.db2.gz DLJFHLCWMLOGJT-KRWDZBQOSA-N 0 3 299.439 3.340 20 30 CGEDHN N#CCC1CCN(Cc2ccc(N)cc2Cl)CC1 ZINC001233375823 818602034 /nfs/dbraw/zinc/60/20/34/818602034.db2.gz DCAGTIBTOUQLDC-UHFFFAOYSA-N 0 3 263.772 3.048 20 30 CGEDHN C=CCCCCN(C)Cc1cc(F)c(F)cc1N ZINC001233382236 818605655 /nfs/dbraw/zinc/60/56/55/818605655.db2.gz MZIRWLYFSXSUSC-UHFFFAOYSA-N 0 3 254.324 3.335 20 30 CGEDHN C=CC[C@@H](C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234238231 818811074 /nfs/dbraw/zinc/81/10/74/818811074.db2.gz INDZJWRHWVBQST-LLVKDONJSA-N 0 3 267.344 3.239 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234529519 818876161 /nfs/dbraw/zinc/87/61/61/818876161.db2.gz ZPUHTLHYJAFKKQ-FUHWJXTLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001234604695 818890434 /nfs/dbraw/zinc/89/04/34/818890434.db2.gz TXVYIFDMCOOOSK-MOEXGYKKSA-N 0 3 278.440 3.232 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1ccc(F)c(C#N)c1 ZINC001235899954 819209301 /nfs/dbraw/zinc/20/93/01/819209301.db2.gz QJBZBRIGAHRWAR-SOFGYWHQSA-N 0 3 267.307 3.292 20 30 CGEDHN N#Cc1ccnc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236233226 819395037 /nfs/dbraw/zinc/39/50/37/819395037.db2.gz LQVMQLKUFKJZAN-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C#CCN(C)Cc1cccc2cc(Br)cnc21 ZINC001237137532 819675178 /nfs/dbraw/zinc/67/51/78/819675178.db2.gz YJWCOLJOWXOWIB-UHFFFAOYSA-N 0 3 289.176 3.062 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCNC2=CCCC[C@@H]21 ZINC001237225378 819704225 /nfs/dbraw/zinc/70/42/25/819704225.db2.gz NUACWNIAZRQNPK-SFHVURJKSA-N 0 3 298.430 3.483 20 30 CGEDHN C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CCC[C@]1(C)O ZINC001237747437 819835704 /nfs/dbraw/zinc/83/57/04/819835704.db2.gz WLJKJMNRVXNNHH-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN(C)[C@H](C)C#N)cc21 ZINC001237890580 819872145 /nfs/dbraw/zinc/87/21/45/819872145.db2.gz YQNSHHRVNYFUTR-CYBMUJFWSA-N 0 3 269.392 3.032 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccccc2Oc2cnccn2)C1 ZINC001238019853 819913055 /nfs/dbraw/zinc/91/30/55/819913055.db2.gz NJWAJHGZVADCDQ-OAHLLOKOSA-N 0 3 293.370 3.114 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(C)c(C)cc2OC)C1 ZINC001238768612 820113069 /nfs/dbraw/zinc/11/30/69/820113069.db2.gz YHFJLOXFYDBIME-OAHLLOKOSA-N 0 3 257.377 3.157 20 30 CGEDHN CCCCCCCCNC(=S)N1CCN[C@@H](CCC)C1 ZINC001239447609 820309865 /nfs/dbraw/zinc/30/98/65/820309865.db2.gz GJCQLLNFPMRSMT-HNNXBMFYSA-N 0 3 299.528 3.295 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC001339951390 936392671 /nfs/dbraw/zinc/39/26/71/936392671.db2.gz KSQOKFOYKNBIAS-XIRDDKMYSA-N 0 3 286.419 3.075 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC001340045440 936396027 /nfs/dbraw/zinc/39/60/27/936396027.db2.gz RLOYDODHOXOMGW-LBPRGKRZSA-N 0 3 295.814 3.028 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001340449448 936404970 /nfs/dbraw/zinc/40/49/70/936404970.db2.gz DHYRIHXAZPIKAA-JSGCOSHPSA-N 0 3 286.375 3.294 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(COC(C)C)cc1 ZINC001341372870 936436268 /nfs/dbraw/zinc/43/62/68/936436268.db2.gz NHAAKILSYCVMDT-MRXNPFEDSA-N 0 3 290.407 3.234 20 30 CGEDHN C#CCN(Cc1ccc(OC)c(COCC)c1)CC1CC1 ZINC001341604696 936444131 /nfs/dbraw/zinc/44/41/31/936444131.db2.gz LVERPFDGMSCHBV-UHFFFAOYSA-N 0 3 287.403 3.077 20 30 CGEDHN N#CC(C(=O)CC(C1CC1)C1CC1)c1cccc(F)n1 ZINC001342637064 936473239 /nfs/dbraw/zinc/47/32/39/936473239.db2.gz LSEJNNRNHKGOJQ-CYBMUJFWSA-N 0 3 272.323 3.223 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCCC12CCCC2 ZINC001343612627 936507461 /nfs/dbraw/zinc/50/74/61/936507461.db2.gz KGCZSYFFYGCPBR-OLZOCXBDSA-N 0 3 284.831 3.076 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC001343612625 936507535 /nfs/dbraw/zinc/50/75/35/936507535.db2.gz KGCZSYFFYGCPBR-CHWSQXEVSA-N 0 3 284.831 3.076 20 30 CGEDHN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001345622195 936817583 /nfs/dbraw/zinc/81/75/83/936817583.db2.gz VFBCMIBCRBFFOM-NPNZPCOPSA-N 0 3 290.313 3.218 20 30 CGEDHN CC1(C)C(C(=O)C(C#N)c2ncc(F)cc2F)C1(C)C ZINC001345621016 936817628 /nfs/dbraw/zinc/81/76/28/936817628.db2.gz BLJZSLNNEANBEI-SECBINFHSA-N 0 3 278.302 3.218 20 30 CGEDHN C[C@H](CC(F)(F)F)C(=O)C(C#N)c1ncc(F)cc1F ZINC001345999016 936833053 /nfs/dbraw/zinc/83/30/53/936833053.db2.gz DAFZQWDRCBRJLE-SVRRBLITSA-N 0 3 292.207 3.125 20 30 CGEDHN CCC[C@@H](CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346000058 936833738 /nfs/dbraw/zinc/83/37/38/936833738.db2.gz NQSFGKVKLIIRKK-MWLCHTKSSA-N 0 3 266.291 3.362 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@H](N)C2CCCCC2)c1 ZINC001346044953 936835448 /nfs/dbraw/zinc/83/54/48/936835448.db2.gz PNZWSOGTLJHHBX-MRXNPFEDSA-N 0 3 288.391 3.098 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C(C)(C)CC(C)C ZINC001346097145 936838130 /nfs/dbraw/zinc/83/81/30/936838130.db2.gz YTWORDYMVDMVTC-GFCCVEGCSA-N 0 3 261.369 3.152 20 30 CGEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001346152432 936839780 /nfs/dbraw/zinc/83/97/80/936839780.db2.gz YIULIBKQBGAHPV-GZMMTYOYSA-N 0 3 293.729 3.387 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001346994118 936867196 /nfs/dbraw/zinc/86/71/96/936867196.db2.gz XCQHAQAHDGBICB-PBHICJAKSA-N 0 3 274.408 3.150 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2cccc(F)n2)cc(Cl)n1 ZINC001347168950 936872627 /nfs/dbraw/zinc/87/26/27/936872627.db2.gz ASJUPLQOIUCCTH-JTQLQIEISA-N 0 3 289.697 3.068 20 30 CGEDHN C=C(CC)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001347949693 936903399 /nfs/dbraw/zinc/90/33/99/936903399.db2.gz CJQWVSCRPRJINP-INIZCTEOSA-N 0 3 286.419 3.076 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1ncc(F)cc1F)C(C)(C)C ZINC001347993891 936905722 /nfs/dbraw/zinc/90/57/22/936905722.db2.gz PROJWOXEVDYXGR-SCZZXKLOSA-N 0 3 266.291 3.218 20 30 CGEDHN C=C[C@@H](C(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC001348516223 936924608 /nfs/dbraw/zinc/92/46/08/936924608.db2.gz BQQOHQFYLZNGIU-QZTJIDSGSA-N 0 3 298.430 3.089 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1cccc(C)c1 ZINC001480869378 926692894 /nfs/dbraw/zinc/69/28/94/926692894.db2.gz IIFUDRPYKZNKBY-UHFFFAOYSA-N 0 3 288.435 3.145 20 30 CGEDHN N#Cc1ccc(Cl)c(CN2CCC3(C2)CCOCC3)c1 ZINC001140601307 926802031 /nfs/dbraw/zinc/80/20/31/926802031.db2.gz MRABYJRHUVLWCO-UHFFFAOYSA-N 0 3 290.794 3.214 20 30 CGEDHN C=C(C)CN(CCNC(=O)C1(CC)CCCC1)C1CC1 ZINC001481192188 926905523 /nfs/dbraw/zinc/90/55/23/926905523.db2.gz PYYZJXNFOBXEAO-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCCN[C@H](CNC(=O)CCC1CCC1)c1ccccc1 ZINC001481363801 926970079 /nfs/dbraw/zinc/97/00/79/926970079.db2.gz VLACXMRSIFRMPG-GOSISDBHSA-N 0 3 298.430 3.037 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001481970218 927121605 /nfs/dbraw/zinc/12/16/05/927121605.db2.gz BWNBPLWOXZZLFF-HNNXBMFYSA-N 0 3 296.842 3.068 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)ccc1NC(C)C ZINC001357366717 937171029 /nfs/dbraw/zinc/17/10/29/937171029.db2.gz IKVDEGZBNCVZDL-CYBMUJFWSA-N 0 3 293.386 3.268 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001484512901 927715532 /nfs/dbraw/zinc/71/55/32/927715532.db2.gz YXKKZPRLHZMBSC-OCCSQVGLSA-N 0 3 286.847 3.003 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)/C=C(/C)CC)cc1 ZINC001484559266 927719801 /nfs/dbraw/zinc/71/98/01/927719801.db2.gz OYWZNABKLBZMAM-KGAUPUERSA-N 0 3 298.430 3.333 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)CC)cc1 ZINC001484560498 927721669 /nfs/dbraw/zinc/72/16/69/927721669.db2.gz ZEZMCLRPEYEFBW-HUUCEWRRSA-N 0 3 286.419 3.023 20 30 CGEDHN C#CCCOc1ccc(CNCc2ccc(C#C)cc2)cc1 ZINC001474152979 937203137 /nfs/dbraw/zinc/20/31/37/937203137.db2.gz QOOGLJIZBAYPIY-UHFFFAOYSA-N 0 3 289.378 3.360 20 30 CGEDHN CC#CCN1CCC([C@H](C)NC(=O)CC[C@@H](C)CC)CC1 ZINC001486449139 928023455 /nfs/dbraw/zinc/02/34/55/928023455.db2.gz PPSIDJCGYPSJAF-HOTGVXAUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@]1(C)CCC[C@@H]1CC ZINC001320021571 928486917 /nfs/dbraw/zinc/48/69/17/928486917.db2.gz QVMDOHVKVIHOIN-DOTOQJQBSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(SC)c(OC)c1 ZINC001320427545 928491815 /nfs/dbraw/zinc/49/18/15/928491815.db2.gz GGQZINWJAOWNOM-DGCLKSJQSA-N 0 3 281.421 3.269 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H](F)CC)C1 ZINC001491117488 928834736 /nfs/dbraw/zinc/83/47/36/928834736.db2.gz IDQNVUIMNHNPNP-LSDHHAIUSA-N 0 3 298.446 3.165 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)CCCC ZINC001491206015 928846059 /nfs/dbraw/zinc/84/60/59/928846059.db2.gz HWZBVUOEMOYPFV-JKSUJKDBSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001448883517 937377525 /nfs/dbraw/zinc/37/75/25/937377525.db2.gz OMWJASSXGNNKGT-INIZCTEOSA-N 0 3 288.435 3.065 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1(C)CCCCCC1 ZINC001448885749 937377624 /nfs/dbraw/zinc/37/76/24/937377624.db2.gz YEZOVCSCSCSTDK-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C#CCOCCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC001459373635 937486862 /nfs/dbraw/zinc/48/68/62/937486862.db2.gz HWVGRDBHMXLPRI-UHFFFAOYSA-N 0 3 297.373 3.478 20 30 CGEDHN C=CCOCCN[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001459831747 937502681 /nfs/dbraw/zinc/50/26/81/937502681.db2.gz AEOUAROKTQQXRW-OAHLLOKOSA-N 0 3 267.319 3.208 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC001460070690 937513991 /nfs/dbraw/zinc/51/39/91/937513991.db2.gz MFTJXQVKDDAKBU-FQEVSTJZSA-N 0 3 293.410 3.472 20 30 CGEDHN CC#CCN1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC001460086545 937514767 /nfs/dbraw/zinc/51/47/67/937514767.db2.gz VDRCDTDZPAFYIT-GOEBONIOSA-N 0 3 257.377 3.492 20 30 CGEDHN C[C@@H]1Cc2n[nH]cc2CN(CCCCC2(C#N)CCC2)C1 ZINC001460781786 937544746 /nfs/dbraw/zinc/54/47/46/937544746.db2.gz ZANIBGONGAXGEQ-CQSZACIVSA-N 0 3 286.423 3.268 20 30 CGEDHN C#CCCCCCCN[C@H](CO)c1cc(F)ccc1F ZINC001460944912 937555008 /nfs/dbraw/zinc/55/50/08/937555008.db2.gz DTPPTJJUGDWICR-MRXNPFEDSA-N 0 3 281.346 3.172 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(OC)c(C)c2)c1 ZINC001461583912 937587005 /nfs/dbraw/zinc/58/70/05/937587005.db2.gz LXSPELLXKQNOLT-UHFFFAOYSA-N 0 3 265.356 3.275 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001230762010 932619974 /nfs/dbraw/zinc/61/99/74/932619974.db2.gz DVZYYPUJVWRVLO-GJZGRUSLSA-N 0 3 290.407 3.089 20 30 CGEDHN CC(C)(N[C@H]1CC[C@H](C#N)C1)c1cc(F)cc(F)c1 ZINC001254644022 932725289 /nfs/dbraw/zinc/72/52/89/932725289.db2.gz POIFTGXQDLISMV-HZMBPMFUSA-N 0 3 264.319 3.482 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001316610114 932748145 /nfs/dbraw/zinc/74/81/45/932748145.db2.gz QHEOYMGCKLWUFA-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN C#CCN(Cc1ccc(CC(F)(F)F)cc1)C1CC1 ZINC001462253653 937627735 /nfs/dbraw/zinc/62/77/35/937627735.db2.gz DDUDHWSJJPLGRW-UHFFFAOYSA-N 0 3 267.294 3.389 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCCC2)C12CCCC2 ZINC001462392846 937637896 /nfs/dbraw/zinc/63/78/96/937637896.db2.gz GKTWQSZTUVSHRJ-LSDHHAIUSA-N 0 3 276.424 3.398 20 30 CGEDHN Cc1cc(F)c(C#N)c(N2CCc3cnccc32)c1 ZINC001306985331 932903749 /nfs/dbraw/zinc/90/37/49/932903749.db2.gz RPYQFNAOMCZNBI-UHFFFAOYSA-N 0 3 253.280 3.095 20 30 CGEDHN C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1[O-] ZINC001308010730 933033275 /nfs/dbraw/zinc/03/32/75/933033275.db2.gz XWDJSBBOAVMKAA-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CCC[C@H](C2CCCC2)C1 ZINC001308157894 933059942 /nfs/dbraw/zinc/05/99/42/933059942.db2.gz QIVXEDMBGKNDBM-LSDHHAIUSA-N 0 3 265.397 3.006 20 30 CGEDHN CC(C)(NCc1cccc2nccn21)c1cccc(C#N)c1 ZINC001308461661 933113652 /nfs/dbraw/zinc/11/36/52/933113652.db2.gz BSSXHXWCHKRGFP-UHFFFAOYSA-N 0 3 290.370 3.231 20 30 CGEDHN C=C(C)[C@H](N[C@H]1CCCN(C)C1)c1ccc(F)c(F)c1 ZINC001308698203 933160158 /nfs/dbraw/zinc/16/01/58/933160158.db2.gz YTEOYXHGPLPRAD-BBRMVZONSA-N 0 3 280.362 3.266 20 30 CGEDHN C#C[C@H](N[C@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC001308794680 933177502 /nfs/dbraw/zinc/17/75/02/933177502.db2.gz BHFFNUBHXBMMER-HOTGVXAUSA-N 0 3 276.811 3.088 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001317177121 933548459 /nfs/dbraw/zinc/54/84/59/933548459.db2.gz RTNYRQTWVJTAKR-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccoc1C(C)C ZINC001317418763 933590949 /nfs/dbraw/zinc/59/09/49/933590949.db2.gz ZOXFCHRWKDOGDK-GFCCVEGCSA-N 0 3 298.814 3.254 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1ccoc1CCC)C1CC1 ZINC001317559214 933620920 /nfs/dbraw/zinc/62/09/20/933620920.db2.gz UBTWQJOKPOYVHE-UHFFFAOYSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CC1(CC(=O)N(C)CCNC[C@H](F)CC)CCCCC1 ZINC001317637847 933626237 /nfs/dbraw/zinc/62/62/37/933626237.db2.gz AGRPROTUEOJSCB-OAHLLOKOSA-N 0 3 298.446 3.309 20 30 CGEDHN COCC#CCNC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001473753654 937820154 /nfs/dbraw/zinc/82/01/54/937820154.db2.gz AFIFNNPODSWJGF-UHFFFAOYSA-N 0 3 285.309 3.180 20 30 CGEDHN C=C(CC)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001466679053 937711306 /nfs/dbraw/zinc/71/13/06/937711306.db2.gz MLCYIHLTFLBCMT-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H](C)C2CC2)CCCC1 ZINC001318669717 933761470 /nfs/dbraw/zinc/76/14/70/933761470.db2.gz GDCQJQPHFOJNIK-GFCCVEGCSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C)cc1Cl ZINC001467728242 937721687 /nfs/dbraw/zinc/72/16/87/937721687.db2.gz BCQDKLNDVBGPCE-UHFFFAOYSA-N 0 3 294.826 3.228 20 30 CGEDHN C=CCCCCCCNC(=O)C1(N(C)C)CCCC1 ZINC001467874230 937723176 /nfs/dbraw/zinc/72/31/76/937723176.db2.gz KHUHNDZFASZWGF-UHFFFAOYSA-N 0 3 266.429 3.114 20 30 CGEDHN C=CCCC(=O)N1CCC(CCN(C)C/C=C/Cl)CC1 ZINC001319875143 933948834 /nfs/dbraw/zinc/94/88/34/933948834.db2.gz MLZOWMHVAIMGFR-BJMVGYQFSA-N 0 3 298.858 3.266 20 30 CGEDHN COc1ccc(Cl)cc1CCNCc1ccc(C#N)o1 ZINC001320082439 933994123 /nfs/dbraw/zinc/99/41/23/933994123.db2.gz ZWOWTHNCCVSQMB-UHFFFAOYSA-N 0 3 290.750 3.146 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cccc(OCCC)c2)C1 ZINC001320086701 933998005 /nfs/dbraw/zinc/99/80/05/933998005.db2.gz PBXVNZAMKPBART-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001320429911 934046425 /nfs/dbraw/zinc/04/64/25/934046425.db2.gz ILIYITPYVXYKNM-HUUCEWRRSA-N 0 3 298.858 3.360 20 30 CGEDHN C[NH+](C)[C@@H]1CCCC[C@@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC001321695657 934204927 /nfs/dbraw/zinc/20/49/27/934204927.db2.gz TYELRMUAIUMLKL-KQLQBFTNSA-N 0 3 280.799 3.337 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001323272395 934379917 /nfs/dbraw/zinc/37/99/17/934379917.db2.gz IOIWZDGDGDNUNU-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccn1C1CC1 ZINC001324379840 934496281 /nfs/dbraw/zinc/49/62/81/934496281.db2.gz YYWCMXKLPGMHPF-SFHVURJKSA-N 0 3 277.371 3.472 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCCCC)C1 ZINC001324670016 934545744 /nfs/dbraw/zinc/54/57/44/934545744.db2.gz UKVITCGQQNSTSA-INIZCTEOSA-N 0 3 266.429 3.114 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H]1CCC2(CCC2)O1 ZINC001473319614 937801945 /nfs/dbraw/zinc/80/19/45/937801945.db2.gz XQEGXYRLOCQANX-INIZCTEOSA-N 0 3 275.392 3.412 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001324960726 934877066 /nfs/dbraw/zinc/87/70/66/934877066.db2.gz JBFGMLVPDXOWSF-FUHWJXTLSA-N 0 3 294.483 3.463 20 30 CGEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(Cl)cc2C#N)C1(C)C ZINC001473482785 937808457 /nfs/dbraw/zinc/80/84/57/937808457.db2.gz CMDYDOBVMHHXMM-NZVBXONLSA-N 0 3 292.810 3.361 20 30 CGEDHN CCCCCCCCNCc1ccc(S(C)(=O)=O)o1 ZINC001325575146 934919186 /nfs/dbraw/zinc/91/91/86/934919186.db2.gz VVJNBSHLXVAVSP-UHFFFAOYSA-N 0 3 287.425 3.133 20 30 CGEDHN CC#CCN1[C@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001473595171 937813041 /nfs/dbraw/zinc/81/30/41/937813041.db2.gz RGACILYUAYQHQW-KFWWJZLASA-N 0 3 294.439 3.023 20 30 CGEDHN CC#CCNC1(CNC(=O)C[C@@H](C)CC(C)(C)C)CCC1 ZINC001326890825 935014811 /nfs/dbraw/zinc/01/48/11/935014811.db2.gz SLMQSWPOSGFTNC-OAHLLOKOSA-N 0 3 292.467 3.101 20 30 CGEDHN CC#CCCCC(=O)NCc1ccc2c(c1)CN(CCC)C2 ZINC001327696284 935078361 /nfs/dbraw/zinc/07/83/61/935078361.db2.gz PMVDCOUTNPLIMU-UHFFFAOYSA-N 0 3 298.430 3.222 20 30 CGEDHN C#Cc1cccc(CNCc2ccc3c(c2)CCC3)c1 ZINC001327952920 935101882 /nfs/dbraw/zinc/10/18/82/935101882.db2.gz GBIXOEFRECSWQX-UHFFFAOYSA-N 0 3 261.368 3.446 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1occc1C(C)C ZINC001328753172 935166568 /nfs/dbraw/zinc/16/65/68/935166568.db2.gz PKWHKSQWGXYLTM-AWEZNQCLSA-N 0 3 290.407 3.125 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001329450283 935217101 /nfs/dbraw/zinc/21/71/01/935217101.db2.gz LGGIKJGGWQWVGC-HNNXBMFYSA-N 0 3 288.435 3.225 20 30 CGEDHN C#CCCCCCC(=O)N[C@H]1CCCN(CC(=C)C)[C@@H]1C ZINC001332197559 935448103 /nfs/dbraw/zinc/44/81/03/935448103.db2.gz CPMXWIMYSFUQGM-SJORKVTESA-N 0 3 290.451 3.115 20 30 CGEDHN CCCN(CC(=O)OC(C)(C)C)CC1CCC(C#N)CC1 ZINC001334071925 936083746 /nfs/dbraw/zinc/08/37/46/936083746.db2.gz VMYVOIBTIRIRAR-UHFFFAOYSA-N 0 3 294.439 3.370 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001338114073 936306849 /nfs/dbraw/zinc/30/68/49/936306849.db2.gz XPRNFUOKGRRHQU-CMPLNLGQSA-N 0 3 289.297 3.437 20 30 CGEDHN CCC#C[C@H](C)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001473832609 937823971 /nfs/dbraw/zinc/82/39/71/937823971.db2.gz LKJDYGMCHMZJAZ-NSHDSACASA-N 0 3 299.340 3.410 20 30 CGEDHN CCc1cccc(CNCc2cc(C#N)ccc2N(C)C)c1 ZINC001474197485 937843529 /nfs/dbraw/zinc/84/35/29/937843529.db2.gz AICYRVATKRUSCA-UHFFFAOYSA-N 0 3 293.414 3.476 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC001474619369 937870853 /nfs/dbraw/zinc/87/08/53/937870853.db2.gz VIBCDKUFMKNOMC-CYBMUJFWSA-N 0 3 289.375 3.212 20 30 CGEDHN CC1(C)CC[C@@H](CCNCc2cccc(F)c2C#N)OC1 ZINC001474727756 937877604 /nfs/dbraw/zinc/87/76/04/937877604.db2.gz AIZNUSZJFXGFHQ-AWEZNQCLSA-N 0 3 290.382 3.382 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@@H](C)F)CCC1 ZINC001479244575 937918175 /nfs/dbraw/zinc/91/81/75/937918175.db2.gz KRSCTGQAQSTEKF-CABCVRRESA-N 0 3 296.430 3.014 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CCCCC ZINC001479245281 937918395 /nfs/dbraw/zinc/91/83/95/937918395.db2.gz ZYTFMXJTWMVPHO-DOTOQJQBSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCN(CCCNC(=O)C[C@H](C)CC(C)(C)C)C1CC1 ZINC001479875740 937928015 /nfs/dbraw/zinc/92/80/15/937928015.db2.gz BDCHSCONGFLFNU-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001479984530 937930758 /nfs/dbraw/zinc/93/07/58/937930758.db2.gz DMIXOQBIKFRLSZ-VYLZPFMQSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](F)CC)C1 ZINC001480260329 937935268 /nfs/dbraw/zinc/93/52/68/937935268.db2.gz VOFIOZVJMLWWHY-GJZGRUSLSA-N 0 3 298.446 3.165 20 30 CGEDHN C=CCN1CCCC[C@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001480333002 937936679 /nfs/dbraw/zinc/93/66/79/937936679.db2.gz VWAURDFFSBSVCD-ROUUACIJSA-N 0 3 298.430 3.113 20 30 CGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001480733650 937943232 /nfs/dbraw/zinc/94/32/32/937943232.db2.gz QLNUBQOLQAOLDJ-KRWDZBQOSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CC[C@H](C(=O)NC[C@H]1CCCN1CC=C)c1ccccc1 ZINC001493159038 937947980 /nfs/dbraw/zinc/94/79/80/937947980.db2.gz AKFNAMMPZLYXIO-MSOLQXFVSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001494655842 937955499 /nfs/dbraw/zinc/95/54/99/937955499.db2.gz DKZQZXPCKNUMRF-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C(CC)CC)CCCC1 ZINC001495898236 937960489 /nfs/dbraw/zinc/96/04/89/937960489.db2.gz VJNYOYCUKDUGFI-UHFFFAOYSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001499131093 937972890 /nfs/dbraw/zinc/97/28/90/937972890.db2.gz GSJRIMSUTUXAPL-CQSZACIVSA-N 0 3 290.407 3.173 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001500547502 937977968 /nfs/dbraw/zinc/97/79/68/937977968.db2.gz WUDJTCDWJMXKGM-MAUKXSAKSA-N 0 3 292.467 3.217 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001505678403 937986599 /nfs/dbraw/zinc/98/65/99/937986599.db2.gz NQCWZBFBQBDVGA-GHMZBOCLSA-N 0 3 293.238 3.145 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc2sccc2c1 ZINC001506032209 937988998 /nfs/dbraw/zinc/98/89/98/937988998.db2.gz KKJRKDABVJPEHO-LBPRGKRZSA-N 0 3 288.416 3.137 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001506961706 937993181 /nfs/dbraw/zinc/99/31/81/937993181.db2.gz XWKCFAOXNXPVDN-RMKNXTFCSA-N 0 3 298.858 3.264 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](CC)CCC)CCC[C@@H]12 ZINC001507353145 937995204 /nfs/dbraw/zinc/99/52/04/937995204.db2.gz SZGAVNKYAQZFGD-ZMSDIMECSA-N 0 3 278.440 3.112 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC001520035830 938022595 /nfs/dbraw/zinc/02/25/95/938022595.db2.gz IBNBWCQZTJBFRL-OAHLLOKOSA-N 0 3 295.386 3.447 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001520036457 938022720 /nfs/dbraw/zinc/02/27/20/938022720.db2.gz NCEAWOMYSKSTKU-RRFJBIMHSA-N 0 3 285.391 3.296 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001520686048 938026926 /nfs/dbraw/zinc/02/69/26/938026926.db2.gz WPDLXXBGOHLLIF-CQSZACIVSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001521872329 938034971 /nfs/dbraw/zinc/03/49/71/938034971.db2.gz PXUAAGYKYZVNHV-YGRLFVJLSA-N 0 3 298.789 3.340 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1ccccc1F ZINC001526594963 938056589 /nfs/dbraw/zinc/05/65/89/938056589.db2.gz STNHPQVYMMLOMA-TZMCWYRMSA-N 0 3 299.349 3.097 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(Cl)ccc1F ZINC001559681885 938233057 /nfs/dbraw/zinc/23/30/57/938233057.db2.gz SSBHKHXRIHCVFU-PWSUYJOCSA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cnc(-c2ccccc2)o1 ZINC001559797689 938235977 /nfs/dbraw/zinc/23/59/77/938235977.db2.gz WXODZXXOPQHMDP-UHFFFAOYSA-N 0 3 299.418 3.281 20 30 CGEDHN CCCCCCCCN1CCO[C@@](C)(COC)C1 ZINC001560042207 938242669 /nfs/dbraw/zinc/24/26/69/938242669.db2.gz IPYMXJNJKFTUQJ-OAHLLOKOSA-N 0 3 257.418 3.084 20 30 CGEDHN C=CCC[C@@H]1CCCN1[C@H](C)C(=O)OCCCC ZINC001560199696 938246707 /nfs/dbraw/zinc/24/67/07/938246707.db2.gz BAYNNCGFXFIHLH-ZIAGYGMSSA-N 0 3 253.386 3.149 20 30 CGEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC001560209749 938247184 /nfs/dbraw/zinc/24/71/84/938247184.db2.gz WWZXBNVCMRTUFF-HNNXBMFYSA-N 0 3 290.794 3.156 20 30 CGEDHN C#CCN(C)C/C(C)=C/c1ccccc1OC(F)F ZINC001561032740 938290690 /nfs/dbraw/zinc/29/06/90/938290690.db2.gz PCIMUDOBQYLRKH-ZRDIBKRKSA-N 0 3 265.303 3.256 20 30 CGEDHN C=CCC1(O)CN(C[C@H](C)CC2CCCCC2)C1 ZINC001561048934 938291652 /nfs/dbraw/zinc/29/16/52/938291652.db2.gz IFUSSOOUYHOQBT-CQSZACIVSA-N 0 3 251.414 3.216 20 30 CGEDHN CC#Cc1cncc(-c2ccc(CN(C)C3CC3)cn2)c1 ZINC001242940038 960415986 /nfs/dbraw/zinc/41/59/86/960415986.db2.gz NCRFXPDNQPGRDQ-UHFFFAOYSA-N 0 3 277.371 3.109 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001571614370 960468399 /nfs/dbraw/zinc/46/83/99/960468399.db2.gz FPODDWGZVYICDD-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)CC(C)(C)CC)CC(C)(C)C1 ZINC001566130219 960896165 /nfs/dbraw/zinc/89/61/65/960896165.db2.gz SBBHSSMCKJIWIC-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001566918382 961053866 /nfs/dbraw/zinc/05/38/66/961053866.db2.gz PYAUFSQNXUPVGZ-FEAKQIBJSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CCCC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001566920420 961066179 /nfs/dbraw/zinc/06/61/79/961066179.db2.gz RYLLYHZAGMIADI-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@@H](CC)CCCC)C1 ZINC001567406796 961327058 /nfs/dbraw/zinc/32/70/58/961327058.db2.gz XBVGWYVLNUFRTM-IRXDYDNUSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H](CNC[C@H](F)CC)CC(C)C)C1 ZINC001568335402 961553904 /nfs/dbraw/zinc/55/39/04/961553904.db2.gz GFZAYBKLPBZXEU-CABCVRRESA-N 0 3 298.446 3.211 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccsc1C ZINC001569356200 961740510 /nfs/dbraw/zinc/74/05/10/961740510.db2.gz SGRIQNMGMPGPIL-OCCSQVGLSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001569386331 961757000 /nfs/dbraw/zinc/75/70/00/961757000.db2.gz MARJAABZIZSHJF-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCCC(=O)NCC1(C)CCN(C[C@@H](F)CC)CC1 ZINC001569704371 961832146 /nfs/dbraw/zinc/83/21/46/961832146.db2.gz LIHGGVWBALWPNK-HNNXBMFYSA-N 0 3 298.446 3.309 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C)c(C)c1Cl ZINC001570748404 962073437 /nfs/dbraw/zinc/07/34/37/962073437.db2.gz YVLKMFDLWDGQFG-LBPRGKRZSA-N 0 3 294.826 3.193 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](CC)CCC ZINC001570827309 962096958 /nfs/dbraw/zinc/09/69/58/962096958.db2.gz OJSZUERMHLARQJ-HOTGVXAUSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001571173381 962115684 /nfs/dbraw/zinc/11/56/84/962115684.db2.gz LZFRAPMCIYERDD-UBHSHLNASA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(C)c1)C(C)C ZINC001571609956 962183205 /nfs/dbraw/zinc/18/32/05/962183205.db2.gz ZQSKYDIAPTYOOA-UHFFFAOYSA-N 0 3 288.435 3.354 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001574902883 962327166 /nfs/dbraw/zinc/32/71/66/962327166.db2.gz IKGHHENGQXRUDD-JONQDZQNSA-N 0 3 278.440 3.145 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)c1cccc2c1CNC2 ZINC001574932983 962331271 /nfs/dbraw/zinc/33/12/71/962331271.db2.gz JVTKAPVATNABSA-UHFFFAOYSA-N 0 3 298.411 3.180 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC001574901306 962334131 /nfs/dbraw/zinc/33/41/31/962334131.db2.gz GTCHOEQLAKQHKN-RHSMWYFYSA-N 0 3 286.419 3.422 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)[C@H](N)C[C@H](C)CC ZINC001574927649 962335066 /nfs/dbraw/zinc/33/50/66/962335066.db2.gz RROOMKGAEQPFSI-GDBMZVCRSA-N 0 3 280.456 3.345 20 30 CGEDHN C=CCCCCC[N@@H+](C)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588593584 963284769 /nfs/dbraw/zinc/28/47/69/963284769.db2.gz DVJVATVGRLJFAE-UHFFFAOYSA-N 0 3 299.422 3.087 20 30 CGEDHN C=CCCCCC[N@H+](C)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588593584 963284781 /nfs/dbraw/zinc/28/47/81/963284781.db2.gz DVJVATVGRLJFAE-UHFFFAOYSA-N 0 3 299.422 3.087 20 30 CGEDHN C=CCCCCC[N@@H+](C)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588593584 963284795 /nfs/dbraw/zinc/28/47/95/963284795.db2.gz DVJVATVGRLJFAE-UHFFFAOYSA-N 0 3 299.422 3.087 20 30 CGEDHN C=CCCCCC[N@H+](C)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588593584 963284807 /nfs/dbraw/zinc/28/48/07/963284807.db2.gz DVJVATVGRLJFAE-UHFFFAOYSA-N 0 3 299.422 3.087 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCC1(F)F ZINC000589921253 346817582 /nfs/dbraw/zinc/81/75/82/346817582.db2.gz JNRJARXNTAQODJ-KBPBESRZSA-N 0 3 292.329 3.063 20 30 CGEDHN C=CCOCCNCc1sc(C)cc1Br ZINC000651584906 398256191 /nfs/dbraw/zinc/25/61/91/398256191.db2.gz ZZRTUMUSFAFEJQ-UHFFFAOYSA-N 0 3 290.226 3.111 20 30 CGEDHN C=CC[C@@H]1N(Cc2nccnc2C)CCCC1(C)C ZINC000621725441 349567903 /nfs/dbraw/zinc/56/79/03/349567903.db2.gz OQKNUVYBZAYQQM-HNNXBMFYSA-N 0 3 259.397 3.352 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCOC[C@H](C2CCC2)C1 ZINC000590022551 346822847 /nfs/dbraw/zinc/82/28/47/346822847.db2.gz AKUZRARFEIPSLL-GOSISDBHSA-N 0 3 284.403 3.115 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)C(=O)Nc2ccccc2)C1 ZINC000651708046 398272815 /nfs/dbraw/zinc/27/28/15/398272815.db2.gz CWPYFESFVCOMLT-IIAWOOMASA-N 0 3 272.392 3.348 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590739103 346871186 /nfs/dbraw/zinc/87/11/86/346871186.db2.gz GNBUHKITQCOKOO-HZPDHXFCSA-N 0 3 287.407 3.027 20 30 CGEDHN N#Cc1ccc(-c2nc(C3CC3c3ccccc3)no2)cn1 ZINC000338065240 214386362 /nfs/dbraw/zinc/38/63/62/214386362.db2.gz HIPJISZBJMNBKW-HUUCEWRRSA-N 0 3 288.310 3.274 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000652191022 398326702 /nfs/dbraw/zinc/32/67/02/398326702.db2.gz HFQRFWKHELUYKB-GDBMZVCRSA-N 0 3 284.403 3.492 20 30 CGEDHN CC(C)C(NCc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000590955899 346890402 /nfs/dbraw/zinc/89/04/02/346890402.db2.gz OIEYFMDEIPJWSO-UHFFFAOYSA-N 0 3 275.352 3.237 20 30 CGEDHN COc1ccc(CN2CC[C@H](C3CCC3)C2)cc1C#N ZINC000591063417 346898331 /nfs/dbraw/zinc/89/83/31/346898331.db2.gz YIMMOUMCHWWQAY-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN Cc1cc(C#N)ccc1CN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000591045376 346897646 /nfs/dbraw/zinc/89/76/46/346897646.db2.gz VCZYSTPGJFIBCS-RTBURBONSA-N 0 3 292.382 3.175 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2c3ccccc3CN(C)C2=O)C1 ZINC000623236964 349770553 /nfs/dbraw/zinc/77/05/53/349770553.db2.gz LLHBNMFAACAOHB-UKPHBRMFSA-N 0 3 284.403 3.034 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000347062677 529652773 /nfs/dbraw/zinc/65/27/73/529652773.db2.gz GLKKQVGUMLBIIH-JOYOIKCWSA-N 0 3 250.729 3.067 20 30 CGEDHN CC[C@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437138560 529691416 /nfs/dbraw/zinc/69/14/16/529691416.db2.gz XOYJGTYPLQDVCE-JTQLQIEISA-N 0 3 268.307 3.390 20 30 CGEDHN Cc1ccc(C[C@@H](C)NC[C@H](C#N)CCC#N)s1 ZINC000591743540 346934791 /nfs/dbraw/zinc/93/47/91/346934791.db2.gz BPGQNBRBRXEBRS-YPMHNXCESA-N 0 3 261.394 3.021 20 30 CGEDHN CS[C@H]1CC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000591837508 346941912 /nfs/dbraw/zinc/94/19/12/346941912.db2.gz QLYRTZDKKSZJEJ-STQMWFEESA-N 0 3 266.797 3.195 20 30 CGEDHN CC(C)(C)OC(=O)C1(C)CCN(CCC(C)(C)C#N)CC1 ZINC000592161012 346967686 /nfs/dbraw/zinc/96/76/86/346967686.db2.gz XBDKZDSWVCGWKD-UHFFFAOYSA-N 0 3 294.439 3.370 20 30 CGEDHN C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@](O)(CC#N)C1 ZINC000592151836 346967782 /nfs/dbraw/zinc/96/77/82/346967782.db2.gz RSDVIQVELOOVJU-KBXCAEBGSA-N 0 3 286.419 3.396 20 30 CGEDHN C[C@H]1CC2(CN1Cc1cc(C#N)ccc1F)CCOCC2 ZINC000592181078 346969427 /nfs/dbraw/zinc/96/94/27/346969427.db2.gz BRRYTSWQUCIWPY-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN CCCC[C@H]1CCC[C@H]1NCc1ccncc1C#N ZINC000592103903 346963660 /nfs/dbraw/zinc/96/36/60/346963660.db2.gz NMUFIJKAMQFRDA-XJKSGUPXSA-N 0 3 257.381 3.402 20 30 CGEDHN N#C[C@H]1CC[C@H](NC2(c3ccccc3F)CCC2)C1 ZINC000592397289 346983926 /nfs/dbraw/zinc/98/39/26/346983926.db2.gz SRVHXNXKKGSEAH-STQMWFEESA-N 0 3 258.340 3.487 20 30 CGEDHN C[C@H]1CC2(CN1Cc1cc(C#N)cs1)CCOCC2 ZINC000592528420 346996849 /nfs/dbraw/zinc/99/68/49/346996849.db2.gz RLAWLAZIRYRSJW-LBPRGKRZSA-N 0 3 276.405 3.011 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2C[C@H](OC)C2)cc1Cl ZINC000623807723 349887717 /nfs/dbraw/zinc/88/77/17/349887717.db2.gz QBIZTPIEVYBVDE-JOCQHMNTSA-N 0 3 281.783 3.172 20 30 CGEDHN COc1cc(-c2cccc(OCCN(C)C)c2)ccc1C#N ZINC000592982334 347022267 /nfs/dbraw/zinc/02/22/67/347022267.db2.gz AAHLYKYIATXSNJ-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C[C@@H](N[C@H]1CNc2ccccc2C1)c1ccc(C#N)cc1F ZINC000593319575 347062116 /nfs/dbraw/zinc/06/21/16/347062116.db2.gz NYGIUZWJVYXLBP-IUODEOHRSA-N 0 3 295.361 3.385 20 30 CGEDHN C[C@H](N[C@@H]1CNc2ccccc2C1)c1ccc(C#N)cc1F ZINC000593319577 347062348 /nfs/dbraw/zinc/06/23/48/347062348.db2.gz NYGIUZWJVYXLBP-WFASDCNBSA-N 0 3 295.361 3.385 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cccc(Cl)c2)nc(C)n1 ZINC000041574327 344971693 /nfs/dbraw/zinc/97/16/93/344971693.db2.gz UMQLUMCKDHXTRE-CYBMUJFWSA-N 0 3 285.734 3.237 20 30 CGEDHN C=CCN(CCCC(=O)OCC)Cc1cccs1 ZINC000057621104 345184224 /nfs/dbraw/zinc/18/42/24/345184224.db2.gz DKDLWSGONRGVCF-UHFFFAOYSA-N 0 3 267.394 3.079 20 30 CGEDHN CC(C)(C#N)CCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000119967801 345996139 /nfs/dbraw/zinc/99/61/39/345996139.db2.gz FKFREBMYFGHDAZ-QGZVFWFLSA-N 0 3 286.419 3.260 20 30 CGEDHN C=CCOc1cccc(CN(CCO)Cc2ccccc2)c1 ZINC000158306695 346164550 /nfs/dbraw/zinc/16/45/50/346164550.db2.gz NJNIXQCVQGPJGS-UHFFFAOYSA-N 0 3 297.398 3.246 20 30 CGEDHN CCCn1c2ccccc2nc1CNCCCCC#N ZINC000172629339 346228014 /nfs/dbraw/zinc/22/80/14/346228014.db2.gz CBXCFDXZZBPXRE-UHFFFAOYSA-N 0 3 270.380 3.230 20 30 CGEDHN Cc1ccccc1O[C@@H](C)CNCc1ccc(C#N)cc1 ZINC000174590001 346244254 /nfs/dbraw/zinc/24/42/54/346244254.db2.gz MFYOUYYXMLXTTA-HNNXBMFYSA-N 0 3 280.371 3.424 20 30 CGEDHN C#CCCN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000273292174 192101446 /nfs/dbraw/zinc/10/14/46/192101446.db2.gz LJXABPVZSWAWRZ-GFCCVEGCSA-N 0 3 257.333 3.424 20 30 CGEDHN CCN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000250386309 346385645 /nfs/dbraw/zinc/38/56/45/346385645.db2.gz XONDCWHYGYZJHE-LLVKDONJSA-N 0 3 297.324 3.107 20 30 CGEDHN C=CCOCCN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000293768409 346431593 /nfs/dbraw/zinc/43/15/93/346431593.db2.gz KRDRPBIEZWAHBB-OAHLLOKOSA-N 0 3 299.418 3.253 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ncc(Br)cn1 ZINC000340423805 346502538 /nfs/dbraw/zinc/50/25/38/346502538.db2.gz OECIOAUGEXERNJ-HBNTYKKESA-N 0 3 298.228 3.490 20 30 CGEDHN CC[C@H](CC#N)NC1CCC2(CC1)c1ccccc1NC2=O ZINC000593614828 347095492 /nfs/dbraw/zinc/09/54/92/347095492.db2.gz DFGAIURXZLAPGQ-WRSVWVKZSA-N 0 3 297.402 3.101 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000321510871 346489719 /nfs/dbraw/zinc/48/97/19/346489719.db2.gz WAEHLSQPEJBRJH-ONGXEEELSA-N 0 3 257.736 3.067 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCCC2)C12CCC2 ZINC000593653766 347100424 /nfs/dbraw/zinc/10/04/24/347100424.db2.gz WQPPVCFQXDBIJS-KGLIPLIRSA-N 0 3 262.397 3.008 20 30 CGEDHN N#CC1(CNC2CCC3(CCCO3)CC2)CCCC1 ZINC000593655031 347101264 /nfs/dbraw/zinc/10/12/64/347101264.db2.gz VUXKHAMGPAOSKV-UHFFFAOYSA-N 0 3 262.397 3.152 20 30 CGEDHN N#CC1(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)CCCC1 ZINC000593654528 347101314 /nfs/dbraw/zinc/10/13/14/347101314.db2.gz FSDYMWPWKXWIJX-ZDUSSCGKSA-N 0 3 279.387 3.309 20 30 CGEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000365046519 346547900 /nfs/dbraw/zinc/54/79/00/346547900.db2.gz VNZNQEUBRJZWMU-IOASZLSFSA-N 0 3 286.375 3.191 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc3c(s2)CCCC3)C1 ZINC000584568798 346683617 /nfs/dbraw/zinc/68/36/17/346683617.db2.gz QANINZXLBBWWRR-WCQYABFASA-N 0 3 260.406 3.409 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)CC)C(C)C ZINC000588705353 346766574 /nfs/dbraw/zinc/76/65/74/346766574.db2.gz ZXPQKRWHKDEPEV-OAHLLOKOSA-N 0 3 280.456 3.237 20 30 CGEDHN CCOC1CC2(C1)CCN(Cc1ccc(C#N)cc1C)C2 ZINC000586784213 346735450 /nfs/dbraw/zinc/73/54/50/346735450.db2.gz TVVYWPWJXTUFPI-UHFFFAOYSA-N 0 3 284.403 3.258 20 30 CGEDHN C[C@@H](N[C@@H](C)COCC1CC1)c1ccc(C#N)c(F)c1 ZINC000593715698 347106767 /nfs/dbraw/zinc/10/67/67/347106767.db2.gz BAEQFQWDEUUCSY-NWDGAFQWSA-N 0 3 276.355 3.163 20 30 CGEDHN Cc1cncc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594033418 347140900 /nfs/dbraw/zinc/14/09/00/347140900.db2.gz PRCCEFVSGRWDOV-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN C[C@@H](CCC#N)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035298 347141031 /nfs/dbraw/zinc/14/10/31/347141031.db2.gz ODFRDYFYZPMKTK-JTQLQIEISA-N 0 3 282.290 3.132 20 30 CGEDHN CC(C)[C@@H]1CN(c2cccc(C(F)F)c2C#N)CCN1C ZINC000594575204 347195097 /nfs/dbraw/zinc/19/50/97/347195097.db2.gz MBAHVWFBKCLMRA-HNNXBMFYSA-N 0 3 293.361 3.272 20 30 CGEDHN CCC1(CC)CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594457178 347176494 /nfs/dbraw/zinc/17/64/94/347176494.db2.gz VILGPYGYGCECOZ-HNNXBMFYSA-N 0 3 293.455 3.217 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCCOC(F)(F)F)cc1 ZINC000594503724 347180904 /nfs/dbraw/zinc/18/09/04/347180904.db2.gz IOADAROLJIQQSJ-UHFFFAOYSA-N 0 3 286.297 3.114 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594508100 347182253 /nfs/dbraw/zinc/18/22/53/347182253.db2.gz ATRNYPTZORZHRJ-HUUCEWRRSA-N 0 3 276.405 3.057 20 30 CGEDHN C[C@H](NCc1ccc(C#N)o1)C1CCC(F)(F)CC1 ZINC000594518004 347187171 /nfs/dbraw/zinc/18/71/71/347187171.db2.gz GHMQVWHIBJTWLH-JTQLQIEISA-N 0 3 268.307 3.455 20 30 CGEDHN CC[C@H](NCc1cc(C#N)cs1)[C@@H]1CCCCO1 ZINC000594519759 347188348 /nfs/dbraw/zinc/18/83/48/347188348.db2.gz LFCOXBICWUQWER-KBPBESRZSA-N 0 3 264.394 3.057 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)o1)C1CCC(F)CC1 ZINC000594990951 347250405 /nfs/dbraw/zinc/25/04/05/347250405.db2.gz VNONRRDLUQGZAE-VOMCLLRMSA-N 0 3 250.317 3.158 20 30 CGEDHN CC1(C)[C@H](CNCc2ccc(C#N)s2)C1(F)F ZINC000594991853 347251321 /nfs/dbraw/zinc/25/13/21/347251321.db2.gz LKWGDINTDXELQM-JTQLQIEISA-N 0 3 256.321 3.001 20 30 CGEDHN C=CCCSCCNCc1ccc(F)cc1F ZINC000594960487 347241361 /nfs/dbraw/zinc/24/13/61/347241361.db2.gz RKICMTKFPFKVGK-UHFFFAOYSA-N 0 3 257.349 3.364 20 30 CGEDHN C=CCCSCCNCc1cc(C)ccc1OC ZINC000594960334 347241619 /nfs/dbraw/zinc/24/16/19/347241619.db2.gz OKKPSUIVVFGDMK-UHFFFAOYSA-N 0 3 265.422 3.403 20 30 CGEDHN N#Cc1cccc(C2(NCc3ccsc3)CCOCC2)c1 ZINC000594982311 347248415 /nfs/dbraw/zinc/24/84/15/347248415.db2.gz CLBGCNPGOXNRHR-UHFFFAOYSA-N 0 3 298.411 3.415 20 30 CGEDHN CC[C@H]1C[C@@H](NCC2(C#N)CCCCC2)CCO1 ZINC000594982099 347248907 /nfs/dbraw/zinc/24/89/07/347248907.db2.gz YPEKZCZOUDVCKO-KBPBESRZSA-N 0 3 250.386 3.008 20 30 CGEDHN CN(CCc1ccc(C#N)cc1)Cc1ccsc1 ZINC000595290595 347287826 /nfs/dbraw/zinc/28/78/26/347287826.db2.gz WZVBRLDGOYZFBQ-UHFFFAOYSA-N 0 3 256.374 3.294 20 30 CGEDHN N#CCC[C@@H](N[C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000595023910 347260461 /nfs/dbraw/zinc/26/04/61/347260461.db2.gz ZTMXIJHTBVGLRP-HZPDHXFCSA-N 0 3 270.376 3.333 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1COC2(CCC2)C1 ZINC000595045304 347268102 /nfs/dbraw/zinc/26/81/02/347268102.db2.gz TWLXRDNLDKYOBN-DOTOQJQBSA-N 0 3 282.387 3.237 20 30 CGEDHN CC[C@@H](N[C@@H]1COC(C)(C)C1)c1ccc(C#N)cc1 ZINC000595051463 347269989 /nfs/dbraw/zinc/26/99/89/347269989.db2.gz UZCUHQGFFHNXLD-LSDHHAIUSA-N 0 3 258.365 3.166 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)C(C)(C)C(F)F ZINC000595052440 347270206 /nfs/dbraw/zinc/27/02/06/347270206.db2.gz RGIDKFIBIDOZNE-VIFPVBQESA-N 0 3 270.298 3.467 20 30 CGEDHN C=CCCSCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595058279 347273155 /nfs/dbraw/zinc/27/31/55/347273155.db2.gz GGAJPHITMPVPAT-CQSZACIVSA-N 0 3 292.404 3.481 20 30 CGEDHN C[C@@H](COc1c(F)cccc1F)N[C@@H]1CC[C@@H](C#N)C1 ZINC000595071881 347276983 /nfs/dbraw/zinc/27/69/83/347276983.db2.gz CEJDQGLEJRAXPF-QJPTWQEYSA-N 0 3 280.318 3.014 20 30 CGEDHN CCCC[C@@H](COC)NCC1(C#N)CCCCC1 ZINC000595091239 347280223 /nfs/dbraw/zinc/28/02/23/347280223.db2.gz OLPGHCZMKRESDO-AWEZNQCLSA-N 0 3 252.402 3.255 20 30 CGEDHN CC(C)[C@H](O)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000595096267 347282528 /nfs/dbraw/zinc/28/25/28/347282528.db2.gz IQAANXAYDRPGOD-DZUCGIPZSA-N 0 3 272.392 3.026 20 30 CGEDHN COc1cccc([C@H](C)N2CCC[C@@H](CC#N)C2)c1 ZINC000595615412 347327745 /nfs/dbraw/zinc/32/77/45/347327745.db2.gz QTBNUHAAHKPVJJ-KBPBESRZSA-N 0 3 258.365 3.382 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000595617450 347328487 /nfs/dbraw/zinc/32/84/87/347328487.db2.gz ZUGJFSOIQFAYSQ-ZDUSSCGKSA-N 0 3 281.359 3.066 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](C3CCCCC3)C2)ccn1 ZINC000595731647 347348715 /nfs/dbraw/zinc/34/87/15/347348715.db2.gz AZCBMFKVNUPCSU-MRXNPFEDSA-N 0 3 269.392 3.355 20 30 CGEDHN N#Cc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000595785155 347355820 /nfs/dbraw/zinc/35/58/20/347355820.db2.gz VUUBBNXQOCHIMP-SFHVURJKSA-N 0 3 284.403 3.339 20 30 CGEDHN CC[C@H](C)N(CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000595593673 347322789 /nfs/dbraw/zinc/32/27/89/347322789.db2.gz SKUBHPGBYBZEHK-NSHDSACASA-N 0 3 293.798 3.271 20 30 CGEDHN COCC1(NCc2cccc(C#N)c2F)CCCCC1 ZINC000595907888 347371084 /nfs/dbraw/zinc/37/10/84/347371084.db2.gz CIOBYJWRFWHGRG-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cc(C)c(C(=O)OC)o1 ZINC000597073983 347533009 /nfs/dbraw/zinc/53/30/09/347533009.db2.gz MBFPVDGJRTWHJA-GFCCVEGCSA-N 0 3 265.353 3.209 20 30 CGEDHN COC1(C)CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597078970 347533050 /nfs/dbraw/zinc/53/30/50/347533050.db2.gz GKRLBKKNXUVFRF-UHFFFAOYSA-N 0 3 284.403 3.243 20 30 CGEDHN Cn1ncc2c1CC(C)(C)CN(CC(C)(C)CCC#N)C2 ZINC000597258827 347563912 /nfs/dbraw/zinc/56/39/12/347563912.db2.gz SKSGUIUFYWSUMC-UHFFFAOYSA-N 0 3 288.439 3.134 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000598777907 347687773 /nfs/dbraw/zinc/68/77/73/347687773.db2.gz YIOYCPHYSDLARC-JTQLQIEISA-N 0 3 296.292 3.360 20 30 CGEDHN C/C=C/CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000599004868 347705600 /nfs/dbraw/zinc/70/56/00/347705600.db2.gz KCVKCPQMBBYUTE-ONEGZZNKSA-N 0 3 274.364 3.043 20 30 CGEDHN C/C=C\CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000599004867 347705702 /nfs/dbraw/zinc/70/57/02/347705702.db2.gz KCVKCPQMBBYUTE-ARJAWSKDSA-N 0 3 274.364 3.043 20 30 CGEDHN C/C=C/CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000599006386 347706069 /nfs/dbraw/zinc/70/60/69/347706069.db2.gz WIBOJCXQQIFOAF-NSCUHMNNSA-N 0 3 280.375 3.129 20 30 CGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@H]1CCCCO1 ZINC000599052663 347710692 /nfs/dbraw/zinc/71/06/92/347710692.db2.gz CDRAMKYBGZSXBD-ZIAGYGMSSA-N 0 3 250.386 3.008 20 30 CGEDHN C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598584315 347666184 /nfs/dbraw/zinc/66/61/84/347666184.db2.gz GFHJHVUYZJPXIF-WFASDCNBSA-N 0 3 278.371 3.119 20 30 CGEDHN Cc1cc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)ccc1F ZINC000598602603 347670767 /nfs/dbraw/zinc/67/07/67/347670767.db2.gz UGNYPGBJWKRLRB-TZMCWYRMSA-N 0 3 278.371 3.086 20 30 CGEDHN C/C(=C/c1ccccc1)CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598612048 347671565 /nfs/dbraw/zinc/67/15/65/347671565.db2.gz YHIUHLPOBUHQIF-XBNGYDHASA-N 0 3 286.419 3.322 20 30 CGEDHN CC(C)[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598627450 347672957 /nfs/dbraw/zinc/67/29/57/347672957.db2.gz UFHAZSWTJDNEFI-XJKSGUPXSA-N 0 3 292.398 3.413 20 30 CGEDHN COC[C@H](C)N(CCCC#N)[C@H]1CCc2ccccc21 ZINC000599683572 347766048 /nfs/dbraw/zinc/76/60/48/347766048.db2.gz RGSUBACYBSXJCU-YOEHRIQHSA-N 0 3 272.392 3.315 20 30 CGEDHN Cc1ccc(CN2CCSC[C@@H](C)C2)cc1C#N ZINC000599384770 347741639 /nfs/dbraw/zinc/74/16/39/347741639.db2.gz SPJWHCUKHGFXGZ-LBPRGKRZSA-N 0 3 260.406 3.052 20 30 CGEDHN Cc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1C#N ZINC000599425448 347742832 /nfs/dbraw/zinc/74/28/32/347742832.db2.gz HQEMYHFCAIGNIF-SFHVURJKSA-N 0 3 284.403 3.115 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1C#N ZINC000599438880 347745334 /nfs/dbraw/zinc/74/53/34/347745334.db2.gz SLHQDYLCUBTNAD-RBUKOAKNSA-N 0 3 298.430 3.240 20 30 CGEDHN CC(C)(C#N)CCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599631023 347760071 /nfs/dbraw/zinc/76/00/71/347760071.db2.gz RWXHWEYNGPBTHV-UHFFFAOYSA-N 0 3 297.402 3.093 20 30 CGEDHN COC1(CN2CCc3c(CC#N)cccc3C2)CCCC1 ZINC000600212275 347793940 /nfs/dbraw/zinc/79/39/40/347793940.db2.gz BJFPTUMDINBKGY-UHFFFAOYSA-N 0 3 284.403 3.070 20 30 CGEDHN CC[C@H](CCc1ccccc1)NC[C@H](C#N)CCC#N ZINC000600606730 347813698 /nfs/dbraw/zinc/81/36/98/347813698.db2.gz QLZSECZVLBRSNX-DLBZAZTESA-N 0 3 269.392 3.431 20 30 CGEDHN Cc1cc(-c2ccc(C#N)s2)cc2c1CNCC2 ZINC000600776578 347834067 /nfs/dbraw/zinc/83/40/67/347834067.db2.gz OWWGJDLUCLWBOF-UHFFFAOYSA-N 0 3 254.358 3.241 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CCC2)[C@@H]2CCCO2)c(F)c1 ZINC000601155573 347875708 /nfs/dbraw/zinc/87/57/08/347875708.db2.gz AQWDKIHNGXPTHH-DLBZAZTESA-N 0 3 288.366 3.135 20 30 CGEDHN COc1cccc2c1OCCC[C@@H]2NCC(C)(C)CC#N ZINC000601280166 347888386 /nfs/dbraw/zinc/88/83/86/347888386.db2.gz DBLRSYQVCVRCCD-AWEZNQCLSA-N 0 3 288.391 3.438 20 30 CGEDHN N#CC1(C[C@@H](O)CN2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000601957933 347929431 /nfs/dbraw/zinc/92/94/31/347929431.db2.gz KICJXEDINLMTST-IAGOWNOFSA-N 0 3 296.414 3.268 20 30 CGEDHN CS[C@@H]1CCC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000602006340 347932807 /nfs/dbraw/zinc/93/28/07/347932807.db2.gz JZCUTPNKVNHWLN-CHWSQXEVSA-N 0 3 278.396 3.461 20 30 CGEDHN CSC1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602016261 347933047 /nfs/dbraw/zinc/93/30/47/347933047.db2.gz FEOXPBGSJZCSND-UHFFFAOYSA-N 0 3 264.369 3.073 20 30 CGEDHN CCN(CCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602441027 347958362 /nfs/dbraw/zinc/95/83/62/347958362.db2.gz RVKGQDIORUYIHE-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cccc(C#N)n1 ZINC000602477322 347964927 /nfs/dbraw/zinc/96/49/27/347964927.db2.gz JQBCCRAYLIWKEU-DZGCQCFKSA-N 0 3 295.361 3.470 20 30 CGEDHN C[C@@H](CCC#N)CN(C)Cc1cc(Br)cn1C ZINC000602485631 347967691 /nfs/dbraw/zinc/96/76/91/347967691.db2.gz OMJYRZGGEAPDFR-NSHDSACASA-N 0 3 298.228 3.159 20 30 CGEDHN CCS[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602566630 347983960 /nfs/dbraw/zinc/98/39/60/347983960.db2.gz YHKGPUXHKMMBOI-LSDHHAIUSA-N 0 3 275.421 3.107 20 30 CGEDHN COC[C@H](NC[C@H](C)CCC#N)c1ccc(F)c(F)c1 ZINC000602580034 347987261 /nfs/dbraw/zinc/98/72/61/347987261.db2.gz CCKOGLBARWMUNB-ABAIWWIYSA-N 0 3 282.334 3.182 20 30 CGEDHN N#Cc1cccc(CNCC2(Cc3ccccc3)CC2)n1 ZINC000602581713 347988119 /nfs/dbraw/zinc/98/81/19/347988119.db2.gz KNLVJXYHAXZHMD-UHFFFAOYSA-N 0 3 277.371 3.066 20 30 CGEDHN COc1ccccc1C1(NC[C@H](C)CCC#N)CC1 ZINC000602700697 348012742 /nfs/dbraw/zinc/01/27/42/348012742.db2.gz NRICLHVSLTZODE-CYBMUJFWSA-N 0 3 258.365 3.214 20 30 CGEDHN C[C@@H](CCC#N)CN[C@H](CF)c1ccc(F)cc1 ZINC000602750179 348023224 /nfs/dbraw/zinc/02/32/24/348023224.db2.gz FKKXEPSNRRPWDV-SMDDNHRTSA-N 0 3 252.308 3.366 20 30 CGEDHN C=CCN(CCc1ccccc1)CC1(CC#N)CC1 ZINC000602770075 348026479 /nfs/dbraw/zinc/02/64/79/348026479.db2.gz UWHQFDBTSFXVRV-UHFFFAOYSA-N 0 3 254.377 3.411 20 30 CGEDHN COc1ccccc1CC(C)(C)NCc1cccc(C#N)n1 ZINC000602542721 347978169 /nfs/dbraw/zinc/97/81/69/347978169.db2.gz WBQPEUDXLBRWJF-UHFFFAOYSA-N 0 3 295.386 3.073 20 30 CGEDHN Cc1cc(C)cc(C[C@@H](C)NCc2cccc(C#N)n2)c1 ZINC000602558015 347981316 /nfs/dbraw/zinc/98/13/16/347981316.db2.gz NMQCDMQZAPVMKO-OAHLLOKOSA-N 0 3 279.387 3.291 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)n2)C1(CC)CC ZINC000602562262 347983055 /nfs/dbraw/zinc/98/30/55/347983055.db2.gz JAFWTKIXJBJQDZ-HZPDHXFCSA-N 0 3 287.407 3.027 20 30 CGEDHN C[C@H](CNCc1cccc(C#N)n1)Sc1ccccc1 ZINC000602562500 347983150 /nfs/dbraw/zinc/98/31/50/347983150.db2.gz WHRXWDYUIHIZAG-CYBMUJFWSA-N 0 3 283.400 3.224 20 30 CGEDHN N#CCC1(CN[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000602805774 348031481 /nfs/dbraw/zinc/03/14/81/348031481.db2.gz PZOSRAFMOCFLCI-SFHVURJKSA-N 0 3 297.446 3.497 20 30 CGEDHN C[C@H]1C[C@H](C(F)(F)F)CCN1CC1(CC#N)CC1 ZINC000602841531 348035551 /nfs/dbraw/zinc/03/55/51/348035551.db2.gz OJBXOVZYQHRQTP-WDEREUQCSA-N 0 3 260.303 3.343 20 30 CGEDHN N#CCC1(CN2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000602844553 348036198 /nfs/dbraw/zinc/03/61/98/348036198.db2.gz CYMCADOTAQFQMX-NSHDSACASA-N 0 3 260.303 3.345 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccccc3F)CC2)C1 ZINC000602947499 348046237 /nfs/dbraw/zinc/04/62/37/348046237.db2.gz PONPTDLTWAXXOQ-KGLIPLIRSA-N 0 3 288.366 3.361 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCOC(C)(C)C ZINC000604492815 348121573 /nfs/dbraw/zinc/12/15/73/348121573.db2.gz XXULVZFRABZPNH-CYBMUJFWSA-N 0 3 260.381 3.366 20 30 CGEDHN C=CCCCN1CCN(c2cccc(C)c2C)CC1 ZINC000605149609 348148467 /nfs/dbraw/zinc/14/84/67/348148467.db2.gz CFHIVEFEMKFBIL-UHFFFAOYSA-N 0 3 258.409 3.392 20 30 CGEDHN C=CCNC(=O)CN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000606452005 348185532 /nfs/dbraw/zinc/18/55/32/348185532.db2.gz BGRCOZFSQQDPQF-YJBOKZPZSA-N 0 3 286.419 3.070 20 30 CGEDHN C[C@]1(CNCc2ccc(C#N)o2)C[C@H]1c1ccccc1 ZINC000339451766 215181707 /nfs/dbraw/zinc/18/17/07/215181707.db2.gz WRHHAZMQSNMWLR-DLBZAZTESA-N 0 3 266.344 3.435 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN([C@@H](C)CCc2ccccc2)CC1 ZINC000609487051 348345465 /nfs/dbraw/zinc/34/54/65/348345465.db2.gz WADLGLYVYKRELX-PKOBYXMFSA-N 0 3 299.462 3.173 20 30 CGEDHN Cc1nccc([C@H]2CCCN(CCCC(C)(C)C#N)C2)n1 ZINC000610447529 348383437 /nfs/dbraw/zinc/38/34/37/348383437.db2.gz HBVZGRMCIIDARD-HNNXBMFYSA-N 0 3 286.423 3.294 20 30 CGEDHN CC1(C)CC[C@H](N2CCN(CCC#N)CC2)c2ccccc21 ZINC000611176128 348426012 /nfs/dbraw/zinc/42/60/12/348426012.db2.gz UMICWKRYRQTISG-SFHVURJKSA-N 0 3 297.446 3.330 20 30 CGEDHN C=C(C)CN[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611405046 348446856 /nfs/dbraw/zinc/44/68/56/348446856.db2.gz GIABMIGHZXUVSP-AWEZNQCLSA-N 0 3 261.365 3.093 20 30 CGEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCCSCC#N ZINC000611554391 348460751 /nfs/dbraw/zinc/46/07/51/348460751.db2.gz NFBHVCVVUCCZDU-QWRGUYRKSA-N 0 3 280.359 3.296 20 30 CGEDHN C[C@@H](NCC1(C#N)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000612740546 348542632 /nfs/dbraw/zinc/54/26/32/348542632.db2.gz IQXIITBRQMCTFF-JISDDCRVSA-N 0 3 258.409 3.485 20 30 CGEDHN CC[C@@H](C)Oc1cc(CNCCCC#N)ccc1OC ZINC000612194916 348500981 /nfs/dbraw/zinc/50/09/81/348500981.db2.gz BUGOPGDCCFFVMI-CYBMUJFWSA-N 0 3 276.380 3.266 20 30 CGEDHN Cc1ccc([C@@H](NC2CCN(CC#N)CC2)C2CCC2)o1 ZINC000612571056 348528824 /nfs/dbraw/zinc/52/88/24/348528824.db2.gz NOVIPLYPHLCIGD-KRWDZBQOSA-N 0 3 287.407 3.007 20 30 CGEDHN CCOC1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160657 348653566 /nfs/dbraw/zinc/65/35/66/348653566.db2.gz TYEOISKLGGHBKD-UHFFFAOYSA-N 0 3 286.419 3.489 20 30 CGEDHN CCN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCCO1 ZINC000614162881 348653711 /nfs/dbraw/zinc/65/37/11/348653711.db2.gz AGFZRIRBOKODAS-QGZVFWFLSA-N 0 3 286.419 3.489 20 30 CGEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cn[nH]c1 ZINC000614574521 348684051 /nfs/dbraw/zinc/68/40/51/348684051.db2.gz BIPOIZQQVQJDLS-GFCCVEGCSA-N 0 3 268.364 3.062 20 30 CGEDHN C[C@H](NCCCc1nccs1)c1ccc(C#N)cc1F ZINC000358565428 233155735 /nfs/dbraw/zinc/15/57/35/233155735.db2.gz ZCGYLSXAMAFVEC-NSHDSACASA-N 0 3 289.379 3.437 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000625705664 350200629 /nfs/dbraw/zinc/20/06/29/350200629.db2.gz WZIPDBIHVWPGGO-DNVCBOLYSA-N 0 3 298.430 3.152 20 30 CGEDHN C=CCC[C@H](O)CNC(C)(C)c1nc2ccccc2s1 ZINC000625721497 350203479 /nfs/dbraw/zinc/20/34/79/350203479.db2.gz YRZUPKHGJSZGAN-LBPRGKRZSA-N 0 3 290.432 3.448 20 30 CGEDHN COc1cccc2c1CCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000573832248 334970068 /nfs/dbraw/zinc/97/00/68/334970068.db2.gz XVKLPJSNNMMWTI-ZENOOKHLSA-N 0 3 270.376 3.354 20 30 CGEDHN C=CCCCCCN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000625994660 350242832 /nfs/dbraw/zinc/24/28/32/350242832.db2.gz DUUOMCBQBLLUPD-CQSZACIVSA-N 0 3 261.369 3.066 20 30 CGEDHN C=CC[C@H]1CCN(Cc2c(OC)cc(OC)cc2OC)C1 ZINC000628405646 350529402 /nfs/dbraw/zinc/52/94/02/350529402.db2.gz QJHIQMUJUCVTSN-ZDUSSCGKSA-N 0 3 291.391 3.110 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCN2C2CCCCC2)CCC1 ZINC000628544158 350572851 /nfs/dbraw/zinc/57/28/51/350572851.db2.gz MLOHSJUOCIRPMT-MRXNPFEDSA-N 0 3 290.451 3.256 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(CC(F)(F)F)cc1 ZINC000631151547 350970271 /nfs/dbraw/zinc/97/02/71/350970271.db2.gz OKVNBKMUCCZMDJ-KGLIPLIRSA-N 0 3 285.309 3.225 20 30 CGEDHN COc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1C#N ZINC000291451194 198025278 /nfs/dbraw/zinc/02/52/78/198025278.db2.gz CKZIYCFSSDJQMW-QGZVFWFLSA-N 0 3 282.387 3.331 20 30 CGEDHN CCOC[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000154270001 188132342 /nfs/dbraw/zinc/13/23/42/188132342.db2.gz ZHIFGBLFLNPXID-OAHLLOKOSA-N 0 3 277.795 3.050 20 30 CGEDHN CSC[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000292460428 198296166 /nfs/dbraw/zinc/29/61/66/198296166.db2.gz QJYPWDCZMDWHOS-CQSZACIVSA-N 0 3 290.432 3.012 20 30 CGEDHN N#CC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCCC1 ZINC000329944724 283041902 /nfs/dbraw/zinc/04/19/02/283041902.db2.gz IPRAPNGGMAHKFQ-CQSZACIVSA-N 0 3 275.396 3.044 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000349375518 283058573 /nfs/dbraw/zinc/05/85/73/283058573.db2.gz CNIVVNKDUSCKHU-XFJVYGCCSA-N 0 3 258.340 3.485 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000336482163 283058809 /nfs/dbraw/zinc/05/88/09/283058809.db2.gz HUHSRDLRZGIYLX-ZBFHGGJFSA-N 0 3 298.434 3.091 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(OC3CCCC3)CC2)C1 ZINC000336128809 283066184 /nfs/dbraw/zinc/06/61/84/283066184.db2.gz YQYYZPRZPOWWOF-UONOGXRCSA-N 0 3 262.397 3.102 20 30 CGEDHN CC(C)(NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000271767584 191314496 /nfs/dbraw/zinc/31/44/96/191314496.db2.gz JBXVRBZUFGAODF-QGZVFWFLSA-N 0 3 298.361 3.256 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000271832279 191356497 /nfs/dbraw/zinc/35/64/97/191356497.db2.gz XIYRSJLTZGJCGV-OCCSQVGLSA-N 0 3 251.345 3.112 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccs1)CC2 ZINC000334594173 283198781 /nfs/dbraw/zinc/19/87/81/283198781.db2.gz XNBFPYICYYVPRE-OAHLLOKOSA-N 0 3 254.358 3.397 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC000129959025 138398631 /nfs/dbraw/zinc/39/86/31/138398631.db2.gz TXBPGNBFPVOBHU-KBPBESRZSA-N 0 3 278.421 3.255 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]3CCC[C@H]32)ccc1F ZINC000246571170 138535638 /nfs/dbraw/zinc/53/56/38/138535638.db2.gz LCAKPKWGOHANEK-XJKSGUPXSA-N 0 3 258.340 3.462 20 30 CGEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000298074740 200327454 /nfs/dbraw/zinc/32/74/54/200327454.db2.gz GZBUDSXVXKYGFJ-SFHVURJKSA-N 0 3 297.377 3.090 20 30 CGEDHN Cc1nc2ccccn2c1CN1CCC(CCC#N)CC1 ZINC000574078118 334990184 /nfs/dbraw/zinc/99/01/84/334990184.db2.gz RHHMTIRYZDBGHO-UHFFFAOYSA-N 0 3 282.391 3.159 20 30 CGEDHN CCCCN1CCCC[C@@H]1CNc1snc(C)c1C#N ZINC000341843056 216123931 /nfs/dbraw/zinc/12/39/31/216123931.db2.gz LSFGLKKAZIZYFL-CYBMUJFWSA-N 0 3 292.452 3.390 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000439441134 238256645 /nfs/dbraw/zinc/25/66/45/238256645.db2.gz PEFLSGPREBQTNC-ZDUSSCGKSA-N 0 3 290.794 3.213 20 30 CGEDHN C=C[C@H](CC(=O)N(CCN(C)C)C(C)C)c1ccccc1 ZINC000179496299 189197548 /nfs/dbraw/zinc/19/75/48/189197548.db2.gz XBZHJSKJITWKHD-MRXNPFEDSA-N 0 3 288.435 3.145 20 30 CGEDHN CN(C)C[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000342223505 216267714 /nfs/dbraw/zinc/26/77/14/216267714.db2.gz HWBVLXKIQCQEEK-SFHVURJKSA-N 0 3 297.377 3.090 20 30 CGEDHN C[C@@H](NCCC(=O)NC1CCCCC1)c1ccc(C#N)cc1 ZINC000181546518 189300418 /nfs/dbraw/zinc/30/04/18/189300418.db2.gz MWGJBHCZJGJMSU-CQSZACIVSA-N 0 3 299.418 3.048 20 30 CGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C)c1ccc(C#N)cc1 ZINC000181767848 189306258 /nfs/dbraw/zinc/30/62/58/189306258.db2.gz FBPQNSUHTJWGHU-IUODEOHRSA-N 0 3 260.381 3.006 20 30 CGEDHN C=CCCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000337282979 376190811 /nfs/dbraw/zinc/19/08/11/376190811.db2.gz XRJBYLQFKLUOBU-CYBMUJFWSA-N 0 3 280.362 3.220 20 30 CGEDHN CCO[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000451551493 240324246 /nfs/dbraw/zinc/32/42/46/240324246.db2.gz XYQWVKBYMIYFPS-CKEIUWERSA-N 0 3 272.392 3.366 20 30 CGEDHN CC(C)[C@@H](CO)[C@H](NCc1cccc(F)c1C#N)C(C)C ZINC000451600703 240333763 /nfs/dbraw/zinc/33/37/63/240333763.db2.gz SLXGEQKFIITPRY-NVXWUHKLSA-N 0 3 292.398 3.076 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C1(C)C ZINC000120626155 370787435 /nfs/dbraw/zinc/78/74/35/370787435.db2.gz FHKLLGNBKKNRLR-CVEARBPZSA-N 0 3 272.392 3.194 20 30 CGEDHN C=CCOc1ccc(CNC[C@H]2CCC=CO2)cc1 ZINC000275783722 193127582 /nfs/dbraw/zinc/12/75/82/193127582.db2.gz IHCHKVBVFPMZGI-MRXNPFEDSA-N 0 3 259.349 3.034 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000121110987 370829292 /nfs/dbraw/zinc/82/92/92/370829292.db2.gz FUXOKIRXJKFAGE-QGZVFWFLSA-N 0 3 286.419 3.174 20 30 CGEDHN C[C@@H](CN(C)Cc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000459752291 242210695 /nfs/dbraw/zinc/21/06/95/242210695.db2.gz BJHCQWGNCFBNID-NSHDSACASA-N 0 3 294.420 3.029 20 30 CGEDHN C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCCN1C ZINC000463497209 242398804 /nfs/dbraw/zinc/39/88/04/242398804.db2.gz TWLPLFOIMCTXAP-QMTHXVAHSA-N 0 3 297.324 3.472 20 30 CGEDHN C=CCC[C@@H](O)CN1CCc2sccc2[C@H]1CC ZINC000122829471 370907616 /nfs/dbraw/zinc/90/76/16/370907616.db2.gz FQNLTCNOXGNFDZ-TZMCWYRMSA-N 0 3 265.422 3.384 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000330620654 203048507 /nfs/dbraw/zinc/04/85/07/203048507.db2.gz KQQCZSOKNOJSFG-HNNXBMFYSA-N 0 3 285.391 3.007 20 30 CGEDHN CCCCN(CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019846838 368773204 /nfs/dbraw/zinc/77/32/04/368773204.db2.gz LAIWSAMPWGOEEL-ZDUSSCGKSA-N 0 3 273.380 3.007 20 30 CGEDHN CCOc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000037679381 369098902 /nfs/dbraw/zinc/09/89/02/369098902.db2.gz YRVJKRJJTVZGOW-UHFFFAOYSA-N 0 3 266.344 3.247 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000037748945 369104679 /nfs/dbraw/zinc/10/46/79/369104679.db2.gz VBELNSITVJPGTK-CYBMUJFWSA-N 0 3 261.328 3.281 20 30 CGEDHN C[C@H](NCCCC#N)c1cccc(Br)c1 ZINC000038012539 369140723 /nfs/dbraw/zinc/14/07/23/369140723.db2.gz ITLFEEAXLDQDMR-JTQLQIEISA-N 0 3 267.170 3.403 20 30 CGEDHN C[C@H](C1CC1)N(Cc1cc(C#N)ccc1F)C1CC1 ZINC000046059933 369290181 /nfs/dbraw/zinc/29/01/81/369290181.db2.gz HMHVJTIEXJLFRC-LLVKDONJSA-N 0 3 258.340 3.460 20 30 CGEDHN COC(=O)Nc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000495684539 244387220 /nfs/dbraw/zinc/38/72/20/244387220.db2.gz BWHLPSVLZUNTDU-UHFFFAOYSA-N 0 3 295.342 3.026 20 30 CGEDHN Cc1cccc(OCCNCc2cccc(C#N)c2)c1 ZINC000049899833 369423138 /nfs/dbraw/zinc/42/31/38/369423138.db2.gz ZAIFMCXNTZXWKC-UHFFFAOYSA-N 0 3 266.344 3.035 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(Cl)c(F)c1 ZINC000127812499 370956157 /nfs/dbraw/zinc/95/61/57/370956157.db2.gz LAQFKNZISRFKKK-GFCCVEGCSA-N 0 3 271.763 3.238 20 30 CGEDHN CN(CCNc1ccc(C(F)(F)F)cc1C#N)C1CC1 ZINC000062010375 369614125 /nfs/dbraw/zinc/61/41/25/369614125.db2.gz VZLWVOXKQHRFFK-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000063494600 369645913 /nfs/dbraw/zinc/64/59/13/369645913.db2.gz LIGSFGDIVVHCLX-INIZCTEOSA-N 0 3 287.407 3.239 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)COC)cc1Cl ZINC000066969633 369708809 /nfs/dbraw/zinc/70/88/09/369708809.db2.gz HAWNEIIDRPTTDS-LLVKDONJSA-N 0 3 269.772 3.029 20 30 CGEDHN C=CCCOCCN[C@@H](CC(C)C)c1ccccn1 ZINC000090883812 370070425 /nfs/dbraw/zinc/07/04/25/370070425.db2.gz NMNHDJVMBYYMDC-INIZCTEOSA-N 0 3 262.397 3.351 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@]3(CC=CCC3)C2)o1 ZINC000093439465 370129308 /nfs/dbraw/zinc/12/93/08/370129308.db2.gz RUXARKLPPFSYMM-MRXNPFEDSA-N 0 3 256.349 3.474 20 30 CGEDHN C=CCc1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc(OC)c1O ZINC000093661045 370153337 /nfs/dbraw/zinc/15/33/37/370153337.db2.gz FPMXBTRKJSABCL-GASCZTMLSA-N 0 3 287.403 3.217 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCC2)c(F)c1 ZINC000102925894 370314074 /nfs/dbraw/zinc/31/40/74/370314074.db2.gz IYRKUGZKAZKJOB-MRXNPFEDSA-N 0 3 258.340 3.462 20 30 CGEDHN Cc1ccc(NC(=O)c2sccc2C#N)c(CN(C)C)c1 ZINC000113911408 370487543 /nfs/dbraw/zinc/48/75/43/370487543.db2.gz NUCMEIKTTUCIQL-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C[C@H](C[C@H](O)c1ccccc1)NCc1ccc(C#N)s1 ZINC000129910341 371006297 /nfs/dbraw/zinc/00/62/97/371006297.db2.gz ZCUDFECQLGLHFD-WBMJQRKESA-N 0 3 286.400 3.222 20 30 CGEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)CCCS1 ZINC000134195344 371310513 /nfs/dbraw/zinc/31/05/13/371310513.db2.gz IQOFIWHKNLFLBM-AWEZNQCLSA-N 0 3 264.369 3.073 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000135143263 371394045 /nfs/dbraw/zinc/39/40/45/371394045.db2.gz GVPYVIDFZYHASQ-NXEZZACHSA-N 0 3 272.270 3.362 20 30 CGEDHN N#Cc1ccc(CNC2CCC(C(F)(F)F)CC2)o1 ZINC000135143574 371394247 /nfs/dbraw/zinc/39/42/47/371394247.db2.gz IGZGJGCAEGSGHY-UHFFFAOYSA-N 0 3 272.270 3.362 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134913754 371375070 /nfs/dbraw/zinc/37/50/70/371375070.db2.gz JUTGGICDNIQUJE-SECBINFHSA-N 0 3 254.717 3.302 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cncs1)C(C)C ZINC000152068023 371670070 /nfs/dbraw/zinc/67/00/70/371670070.db2.gz FPEWYWSYBGCTOW-GJZGRUSLSA-N 0 3 293.480 3.492 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151872523 371646072 /nfs/dbraw/zinc/64/60/72/371646072.db2.gz BIVNIRQEPXQAHO-IAGOWNOFSA-N 0 3 296.370 3.239 20 30 CGEDHN CCOC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000353310246 220020370 /nfs/dbraw/zinc/02/03/70/220020370.db2.gz XZRYKFSYAYMKRO-BLLLJJGKSA-N 0 3 278.371 3.409 20 30 CGEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccc(C)cc1C)C(C)C ZINC000289335030 371755527 /nfs/dbraw/zinc/75/55/27/371755527.db2.gz HDMMLXKFMRELQJ-CVEARBPZSA-N 0 3 286.419 3.268 20 30 CGEDHN CCN(CC(C)C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000153739960 371785188 /nfs/dbraw/zinc/78/51/88/371785188.db2.gz YHMOXLGJMCKNMN-GFCCVEGCSA-N 0 3 291.395 3.073 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2)sc1C ZINC000155661968 371938824 /nfs/dbraw/zinc/93/88/24/371938824.db2.gz UENHYTRXJQECEG-GFCCVEGCSA-N 0 3 271.345 3.006 20 30 CGEDHN CCC1(CC)[C@@H](NCc2ccc(C#N)cc2F)C[C@@H]1OC ZINC000344116240 217057082 /nfs/dbraw/zinc/05/70/82/217057082.db2.gz NJESKROTPBUWQY-HOTGVXAUSA-N 0 3 290.382 3.381 20 30 CGEDHN CSC1(CN(C)Cc2cccc(C#N)c2)CCC1 ZINC000290579999 372020825 /nfs/dbraw/zinc/02/08/25/372020825.db2.gz ZJKQCUSSDGNDOT-UHFFFAOYSA-N 0 3 260.406 3.276 20 30 CGEDHN CC#CCN(C)CCCc1cc(-c2ccccc2)no1 ZINC000157896280 372041245 /nfs/dbraw/zinc/04/12/45/372041245.db2.gz TYCQMUTXISEOQE-UHFFFAOYSA-N 0 3 268.360 3.229 20 30 CGEDHN C[C@@H](CCn1cccn1)N[C@@H](CCC#N)c1ccccc1 ZINC000159134325 372108278 /nfs/dbraw/zinc/10/82/78/372108278.db2.gz SWNRGPXBIIKDRV-RDJZCZTQSA-N 0 3 282.391 3.296 20 30 CGEDHN O[C@@H]1CCCC[C@H]1[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000291080064 372112768 /nfs/dbraw/zinc/11/27/68/372112768.db2.gz GLYNGVYMVNQCMD-SLFFLAALSA-N 0 3 297.442 3.444 20 30 CGEDHN CC#CCCNCc1ccc(F)c(C(F)(F)F)c1 ZINC000158301116 372065023 /nfs/dbraw/zinc/06/50/23/372065023.db2.gz FVXCUIJWYLKSQU-UHFFFAOYSA-N 0 3 259.246 3.348 20 30 CGEDHN N#CCCCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425552571 372132853 /nfs/dbraw/zinc/13/28/53/372132853.db2.gz QPFCZMZGOINXEY-HUUCEWRRSA-N 0 3 278.783 3.142 20 30 CGEDHN C(#Cc1ccccc1)CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425545950 372131789 /nfs/dbraw/zinc/13/17/89/372131789.db2.gz DNFVAQWEBCWEAK-LJQANCHMSA-N 0 3 295.426 3.319 20 30 CGEDHN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(C#N)cc1 ZINC000344301944 217141222 /nfs/dbraw/zinc/14/12/22/217141222.db2.gz VGZKZIXJOFIMLR-DOMZBBRYSA-N 0 3 286.400 3.312 20 30 CGEDHN N#CCc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000429008351 372304140 /nfs/dbraw/zinc/30/41/40/372304140.db2.gz NJVIVALAISEHFC-GOSISDBHSA-N 0 3 284.403 3.001 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1cc(C)nc(N2CCCC2)n1 ZINC000293218272 372328675 /nfs/dbraw/zinc/32/86/75/372328675.db2.gz AHDISKFQUWRNNG-HIFRSBDPSA-N 0 3 288.439 3.076 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000429715217 372377783 /nfs/dbraw/zinc/37/77/83/372377783.db2.gz HUMZJVVBDHUGTF-AWEZNQCLSA-N 0 3 293.455 3.473 20 30 CGEDHN C=CCOc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430078136 372383451 /nfs/dbraw/zinc/38/34/51/372383451.db2.gz QSANGLSZGAWOBJ-UHFFFAOYSA-N 0 3 256.349 3.035 20 30 CGEDHN Cc1ccc(-c2ncc(CNCC3(CC#N)CC3)s2)o1 ZINC000430063135 372383491 /nfs/dbraw/zinc/38/34/91/372383491.db2.gz VIBPBYIWFJREDG-UHFFFAOYSA-N 0 3 287.388 3.495 20 30 CGEDHN CCc1nc(C)c([C@@H](C)NCC2(CC#N)CC2)s1 ZINC000430765950 372396334 /nfs/dbraw/zinc/39/63/34/372396334.db2.gz WJPDGPOTCYXVJM-SNVBAGLBSA-N 0 3 263.410 3.358 20 30 CGEDHN C=CCOCCN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000293533019 372404704 /nfs/dbraw/zinc/40/47/04/372404704.db2.gz PPRDRXQSXAGGGF-INIZCTEOSA-N 0 3 291.391 3.043 20 30 CGEDHN CCCCN(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000433126964 372582154 /nfs/dbraw/zinc/58/21/54/372582154.db2.gz QLTCZAMWJKIPDM-MRXNPFEDSA-N 0 3 272.392 3.408 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(Cl)cc2c1OCC2 ZINC000167392267 372593607 /nfs/dbraw/zinc/59/36/07/372593607.db2.gz IPKWSPYJNJYGNU-SNVBAGLBSA-N 0 3 251.757 3.329 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433925812 372640725 /nfs/dbraw/zinc/64/07/25/372640725.db2.gz IHQSYVGGZRAFIL-ZBFHGGJFSA-N 0 3 293.455 3.047 20 30 CGEDHN CCCO[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000170989282 372697035 /nfs/dbraw/zinc/69/70/35/372697035.db2.gz IGHBXAKKVKPQOJ-QGZVFWFLSA-N 0 3 272.392 3.339 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(C(C)C)s1 ZINC000435734975 372799822 /nfs/dbraw/zinc/79/98/22/372799822.db2.gz ZOWZACZSWBYTGB-IUODEOHRSA-N 0 3 280.437 3.337 20 30 CGEDHN Cc1ccc(CC[C@H](C)NCc2ccc(C#N)o2)o1 ZINC000344615191 217249707 /nfs/dbraw/zinc/24/97/07/217249707.db2.gz GLWRYAKGGRRNEA-NSHDSACASA-N 0 3 258.321 3.164 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000439681617 372979911 /nfs/dbraw/zinc/97/99/11/372979911.db2.gz OHVBPHKJAHHISV-WBVHZDCISA-N 0 3 284.403 3.408 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000296080255 373017470 /nfs/dbraw/zinc/01/74/70/373017470.db2.gz PFXKSPSWXIZGMY-CZUORRHYSA-N 0 3 272.392 3.102 20 30 CGEDHN CC1CCN(c2ccc(CN[C@@H]3CC[C@H](C#N)C3)cn2)CC1 ZINC000442715070 373068387 /nfs/dbraw/zinc/06/83/87/373068387.db2.gz KWZLYKDVQWVLIN-DOTOQJQBSA-N 0 3 298.434 3.100 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000442839736 373100908 /nfs/dbraw/zinc/10/09/08/373100908.db2.gz UPPREFGMDPGUTL-LALPHHSUSA-N 0 3 274.339 3.321 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000442728005 373070097 /nfs/dbraw/zinc/07/00/97/373070097.db2.gz XUFJCYWXNBNCCJ-JTQLQIEISA-N 0 3 298.308 3.302 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000444530717 373198586 /nfs/dbraw/zinc/19/85/86/373198586.db2.gz CKKWBVWKKBWIPW-SNVBAGLBSA-N 0 3 296.292 3.013 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)o1)c1ccccc1F ZINC000174327843 373293122 /nfs/dbraw/zinc/29/31/22/373293122.db2.gz DNTMRYQOIWYFTO-UHFFFAOYSA-N 0 3 272.323 3.358 20 30 CGEDHN COc1ccccc1O[C@@H](C)CNCc1ccc(C#N)cc1 ZINC000174607503 373343905 /nfs/dbraw/zinc/34/39/05/373343905.db2.gz KEEFNVZKYUQTFP-AWEZNQCLSA-N 0 3 296.370 3.124 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)o1)Oc1ccc(Cl)cc1 ZINC000174644102 373347738 /nfs/dbraw/zinc/34/77/38/373347738.db2.gz MUSMPQKXFFQWIJ-NSHDSACASA-N 0 3 290.750 3.362 20 30 CGEDHN CCCCN(CC#Cc1cccc(Cl)c1)CCOC ZINC000447037475 373393960 /nfs/dbraw/zinc/39/39/60/373393960.db2.gz BBEPFXVOAKZPMA-UHFFFAOYSA-N 0 3 279.811 3.440 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccccc1C#N ZINC000176852242 373636986 /nfs/dbraw/zinc/63/69/86/373636986.db2.gz LMXJIGJOYBKTFY-CQSZACIVSA-N 0 3 280.371 3.327 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000448774706 373640064 /nfs/dbraw/zinc/64/00/64/373640064.db2.gz MGBPMUCPALFZFW-GOEBONIOSA-N 0 3 286.419 3.150 20 30 CGEDHN N#Cc1ccc(CNCc2ccccc2-n2ccnc2)s1 ZINC000176954694 373643807 /nfs/dbraw/zinc/64/38/07/373643807.db2.gz RCYNHBDGXSEXHK-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCCCC1 ZINC000448963849 373651789 /nfs/dbraw/zinc/65/17/89/373651789.db2.gz TVIDSSLRNRLBHD-MRXNPFEDSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1nncn1-c1ccccc1 ZINC000449074937 373659215 /nfs/dbraw/zinc/65/92/15/373659215.db2.gz LSVVZPXTQJVVIH-OAHLLOKOSA-N 0 3 284.407 3.492 20 30 CGEDHN C[C@@]12CN(Cc3ccc(C#N)cc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449759 373731326 /nfs/dbraw/zinc/73/13/26/373731326.db2.gz MVPPSWFOKDYQBI-VUNQQRPYSA-N 0 3 282.362 3.341 20 30 CGEDHN CC1(C)COC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000449626430 373836273 /nfs/dbraw/zinc/83/62/73/373836273.db2.gz WJVVPEFXFAWVIZ-CYBMUJFWSA-N 0 3 298.308 3.092 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OCC)[C@H](C)C2)c1 ZINC000449490732 373781102 /nfs/dbraw/zinc/78/11/02/373781102.db2.gz CQKLMKQLVZVBPW-CRAIPNDOSA-N 0 3 289.419 3.498 20 30 CGEDHN CN(C[C@H]1COc2ccccc2O1)CC(C)(C)CCC#N ZINC000179636123 373895011 /nfs/dbraw/zinc/89/50/11/373895011.db2.gz UMWUSYDBYMJFFF-AWEZNQCLSA-N 0 3 288.391 3.088 20 30 CGEDHN C=C(CC)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000449734012 373860516 /nfs/dbraw/zinc/86/05/16/373860516.db2.gz LFINSJXXGXPTBA-UHFFFAOYSA-N 0 3 280.375 3.015 20 30 CGEDHN Cc1ccc(NC[C@H](c2cccs2)N(C)C)nc1C#N ZINC000302731216 373943607 /nfs/dbraw/zinc/94/36/07/373943607.db2.gz WGWUPLVYFZRHRE-CYBMUJFWSA-N 0 3 286.404 3.038 20 30 CGEDHN Cc1ccc(NC[C@@H](c2cccc(F)c2)N(C)C)nc1C#N ZINC000302737098 373947204 /nfs/dbraw/zinc/94/72/04/373947204.db2.gz ZYNLICUWYGJXGY-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cccc(OCC)c1 ZINC000180708825 374038339 /nfs/dbraw/zinc/03/83/39/374038339.db2.gz ZQYVJKJCVDRNAK-DZGCQCFKSA-N 0 3 263.381 3.063 20 30 CGEDHN C[C@@H](NCCCSCC#N)c1ccc(F)cc1F ZINC000181596019 374143968 /nfs/dbraw/zinc/14/39/68/374143968.db2.gz SPJQYKWMDCVFOL-SNVBAGLBSA-N 0 3 270.348 3.262 20 30 CGEDHN C=CCCCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000450689693 374172477 /nfs/dbraw/zinc/17/24/77/374172477.db2.gz FMPLFHWAESCVHY-INIZCTEOSA-N 0 3 278.440 3.256 20 30 CGEDHN C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000182082183 374217327 /nfs/dbraw/zinc/21/73/27/374217327.db2.gz BJXOZCYRWFNXLR-UGSOOPFHSA-N 0 3 298.361 3.256 20 30 CGEDHN C=CCCN[C@H](CCO)c1ccccc1Br ZINC000309572113 374188563 /nfs/dbraw/zinc/18/85/63/374188563.db2.gz NIYJEHZEPNDCSV-CYBMUJFWSA-N 0 3 284.197 3.038 20 30 CGEDHN Cc1ccoc1CN(C)CCCOc1cccc(C#N)c1 ZINC000313895909 374308350 /nfs/dbraw/zinc/30/83/50/374308350.db2.gz QFYAVEIXOYWZKO-UHFFFAOYSA-N 0 3 284.359 3.361 20 30 CGEDHN C=CCN(CCCn1ccnc1)Cc1cccs1 ZINC000182663382 374308663 /nfs/dbraw/zinc/30/86/63/374308663.db2.gz NSLTZJSIRMIFFN-UHFFFAOYSA-N 0 3 261.394 3.023 20 30 CGEDHN CCN1CCC[C@@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC000329951420 374445313 /nfs/dbraw/zinc/44/53/13/374445313.db2.gz IFSWKVGKVPYMMC-CYBMUJFWSA-N 0 3 291.395 3.121 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000334226140 374660512 /nfs/dbraw/zinc/66/05/12/374660512.db2.gz FBEMRXHIQMFGGG-GOSISDBHSA-N 0 3 284.403 3.448 20 30 CGEDHN C[C@H](NCc1cc(C#N)cs1)[C@@H](c1ccccc1)N(C)C ZINC000185679302 374712304 /nfs/dbraw/zinc/71/23/04/374712304.db2.gz DNRXUFPELJPYPA-GUYCJALGSA-N 0 3 299.443 3.401 20 30 CGEDHN CC(C)[C@@H](CCO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000460365053 374824641 /nfs/dbraw/zinc/82/46/41/374824641.db2.gz NFYYOIJYSJECDM-OAHLLOKOSA-N 0 3 299.336 3.054 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185961513 374774739 /nfs/dbraw/zinc/77/47/39/374774739.db2.gz KQYSRQSITDWACB-DOMZBBRYSA-N 0 3 294.826 3.071 20 30 CGEDHN C=CCSCCN[C@@H](CCC)c1cccnc1 ZINC000185968650 374776876 /nfs/dbraw/zinc/77/68/76/374776876.db2.gz XYPUWNOSMDSPEG-AWEZNQCLSA-N 0 3 250.411 3.432 20 30 CGEDHN C=CCCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186508890 374866303 /nfs/dbraw/zinc/86/63/03/374866303.db2.gz VMFTXMMLGDDNKH-UHFFFAOYSA-N 0 3 281.346 3.214 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186696205 374900874 /nfs/dbraw/zinc/90/08/74/374900874.db2.gz SYIYDQBRCIQEEW-CMPLNLGQSA-N 0 3 289.297 3.173 20 30 CGEDHN Cn1ncc2c1CCCN(CCC1(C#N)CCCCC1)C2 ZINC000334648406 374940294 /nfs/dbraw/zinc/94/02/94/374940294.db2.gz XMQRNGNLPSAEFT-UHFFFAOYSA-N 0 3 286.423 3.032 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000467301239 374974115 /nfs/dbraw/zinc/97/41/15/374974115.db2.gz ZJFGODLWRPWHDU-CABCVRRESA-N 0 3 288.435 3.323 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000467301240 374974793 /nfs/dbraw/zinc/97/47/93/374974793.db2.gz ZJFGODLWRPWHDU-GJZGRUSLSA-N 0 3 288.435 3.323 20 30 CGEDHN C=C(C)CN(CCC(=O)NCCCC)Cc1ccccc1 ZINC000470926925 375001656 /nfs/dbraw/zinc/00/16/56/375001656.db2.gz VOYGNFWDXLOGGP-UHFFFAOYSA-N 0 3 288.435 3.371 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000187713934 375078916 /nfs/dbraw/zinc/07/89/16/375078916.db2.gz BQEDSNOAPAZISC-VKJFTORMSA-N 0 3 294.402 3.399 20 30 CGEDHN C=CC[C@H](C(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000187748893 375087262 /nfs/dbraw/zinc/08/72/62/375087262.db2.gz PGUIUAHHIUJXBY-SFHVURJKSA-N 0 3 298.430 3.089 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC#Cc1ccccc1 ZINC000483683584 375182584 /nfs/dbraw/zinc/18/25/84/375182584.db2.gz MHNPOFDFNLALMT-ZWKOTPCHSA-N 0 3 271.404 3.221 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)C(C)C(F)(F)F)c1 ZINC000335120304 375148299 /nfs/dbraw/zinc/14/82/99/375148299.db2.gz WANWQYRTIHLBLO-MRVPVSSYSA-N 0 3 256.227 3.004 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](c1cc(F)ccc1F)C(C)C ZINC000479400606 375151343 /nfs/dbraw/zinc/15/13/43/375151343.db2.gz AQJRERLBPNKSCN-LRDDRELGSA-N 0 3 283.362 3.436 20 30 CGEDHN CC#CCCNCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000482162854 375167953 /nfs/dbraw/zinc/16/79/53/375167953.db2.gz JIYVLAICEVHJEI-UHFFFAOYSA-N 0 3 273.376 3.145 20 30 CGEDHN CC#CCCNCc1cc(Cl)c(OC)c(OCC)c1 ZINC000482158560 375168024 /nfs/dbraw/zinc/16/80/24/375168024.db2.gz QUIFTLJLRMSULF-UHFFFAOYSA-N 0 3 281.783 3.250 20 30 CGEDHN C=CCN(CCOC)C[C@H](C)c1ccc(F)cc1 ZINC000483408808 375179963 /nfs/dbraw/zinc/17/99/63/375179963.db2.gz OVUCWFRLCBJKTA-ZDUSSCGKSA-N 0 3 251.345 3.064 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000188570024 375233606 /nfs/dbraw/zinc/23/36/06/375233606.db2.gz WZUDRLLQXVITLL-QAPCUYQASA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCN(CCOC)Cc1cccc(Br)c1C ZINC000484583036 375189573 /nfs/dbraw/zinc/18/95/73/375189573.db2.gz LDKMFPPLRJCBAA-UHFFFAOYSA-N 0 3 298.224 3.392 20 30 CGEDHN C=C(C)[C@H](NC[C@H](C)COC)c1ccc(F)c(F)c1 ZINC000188558095 375231982 /nfs/dbraw/zinc/23/19/82/375231982.db2.gz NUXKKKDWYNIMQJ-NHYWBVRUSA-N 0 3 269.335 3.454 20 30 CGEDHN COCCN(Cc1cc(C#N)ccc1F)[C@@H]1CCC[C@H]1C ZINC000487998207 375294696 /nfs/dbraw/zinc/29/46/96/375294696.db2.gz HDUXHTZXMOFKNS-CXAGYDPISA-N 0 3 290.382 3.334 20 30 CGEDHN N#Cc1csc(CNC[C@H]2CCCCC(F)(F)C2)n1 ZINC000491590761 375335177 /nfs/dbraw/zinc/33/51/77/375335177.db2.gz DJSCMGYSCVLBGP-JTQLQIEISA-N 0 3 285.363 3.320 20 30 CGEDHN Cn1cc(CN[C@@H]2CCSc3ccccc32)cc1C#N ZINC000189586689 375417921 /nfs/dbraw/zinc/41/79/21/375417921.db2.gz HNGFURZUXQGHRM-OAHLLOKOSA-N 0 3 283.400 3.223 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)NCCN1CCCC[C@H]1CC ZINC000495231311 375499711 /nfs/dbraw/zinc/49/97/11/375499711.db2.gz OLGYKGLAOBRZQG-CVEARBPZSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCCCN(C)Cc1ccc(N(C)C(C)C)nc1 ZINC000191383451 375620483 /nfs/dbraw/zinc/62/04/83/375620483.db2.gz AQVXJXGNFSUAMK-UHFFFAOYSA-N 0 3 261.413 3.324 20 30 CGEDHN C=CCOc1ccc(CN2CCC(C)CC2)cc1OC ZINC000505868814 375662347 /nfs/dbraw/zinc/66/23/47/375662347.db2.gz ROKWZNLTJOMXDA-UHFFFAOYSA-N 0 3 275.392 3.492 20 30 CGEDHN CC(C#N)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000336354594 375780458 /nfs/dbraw/zinc/78/04/58/375780458.db2.gz DFLNWCLEUCIEFF-GWCFXTLKSA-N 0 3 294.807 3.116 20 30 CGEDHN Cc1cccc(C2(NC(=O)C(C)C#N)CCCC2)c1 ZINC000336281499 375770594 /nfs/dbraw/zinc/77/05/94/375770594.db2.gz IELHVGVJNJMISS-ZDUSSCGKSA-N 0 3 256.349 3.040 20 30 CGEDHN CCCn1nc(C)c(CNCc2ccc(CC#N)cc2)c1C ZINC000514937892 375808549 /nfs/dbraw/zinc/80/85/49/375808549.db2.gz RSTZWTRJQZRJBX-UHFFFAOYSA-N 0 3 296.418 3.266 20 30 CGEDHN C=CCCCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000515206155 375811683 /nfs/dbraw/zinc/81/16/83/375811683.db2.gz HKCPFLLMMPRWAK-GFCCVEGCSA-N 0 3 265.319 3.386 20 30 CGEDHN C=C(C)CN1CCC(Nc2cccc(Cl)n2)CC1 ZINC000193417487 375875361 /nfs/dbraw/zinc/87/53/61/375875361.db2.gz BNLKNHLSYRHJHL-UHFFFAOYSA-N 0 3 265.788 3.187 20 30 CGEDHN CC(C)[C@H]1CN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000528642617 375907399 /nfs/dbraw/zinc/90/73/99/375907399.db2.gz XDLQVXSRFVDLRT-GOSISDBHSA-N 0 3 297.446 3.133 20 30 CGEDHN C=CCCC[C@H](C)N1CCc2nc(C3CC3)ncc2C1 ZINC000528739534 375908808 /nfs/dbraw/zinc/90/88/08/375908808.db2.gz KOLWJJZTMSMWNA-ZDUSSCGKSA-N 0 3 271.408 3.457 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccsc1C(F)(F)F ZINC000529595507 375931023 /nfs/dbraw/zinc/93/10/23/375931023.db2.gz WDFZECCNVPSDAW-ZJUUUORDSA-N 0 3 277.311 3.200 20 30 CGEDHN C=C(C)COCCNCc1ccc(OCC(C)C)cc1 ZINC000532140739 375949068 /nfs/dbraw/zinc/94/90/68/375949068.db2.gz IAVCONFSEZADKH-UHFFFAOYSA-N 0 3 277.408 3.404 20 30 CGEDHN COC(C)(C)CN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000532340058 375951293 /nfs/dbraw/zinc/95/12/93/375951293.db2.gz KFYUTZCOUKMODE-UHFFFAOYSA-N 0 3 299.336 3.414 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@@H](c2ccccc2)C(C)C)C1=O ZINC000337171799 376113130 /nfs/dbraw/zinc/11/31/30/376113130.db2.gz GBQWFQWNAQWEJO-DLBZAZTESA-N 0 3 286.419 3.102 20 30 CGEDHN C=CCSCCNCc1ccc(OC)c(OCC)c1 ZINC000222064031 376228286 /nfs/dbraw/zinc/22/82/86/376228286.db2.gz RKCGWEQJZCMITQ-UHFFFAOYSA-N 0 3 281.421 3.103 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000222447973 376234934 /nfs/dbraw/zinc/23/49/34/376234934.db2.gz CEWSBNFAUJEPJV-AWEZNQCLSA-N 0 3 293.407 3.085 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000539433954 376311996 /nfs/dbraw/zinc/31/19/96/376311996.db2.gz VQUBZGPFWDLUBD-XHSDSOJGSA-N 0 3 295.471 3.293 20 30 CGEDHN C=CC1CCN(Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000539830076 376338084 /nfs/dbraw/zinc/33/80/84/376338084.db2.gz OEUUPDKUABCRQU-ZDUSSCGKSA-N 0 3 287.403 3.417 20 30 CGEDHN C=CCN[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000539223981 376298675 /nfs/dbraw/zinc/29/86/75/376298675.db2.gz RUQPJVHIEGXALO-CQSZACIVSA-N 0 3 268.360 3.497 20 30 CGEDHN C=CCCOCCNCc1cc(F)cc(Cl)c1 ZINC000230226951 376497856 /nfs/dbraw/zinc/49/78/56/376497856.db2.gz NFRUYXFUHXNQEK-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1c1ccccc1OC ZINC000338963545 376603164 /nfs/dbraw/zinc/60/31/64/376603164.db2.gz ZRMAVIZLYBSBFY-OAHLLOKOSA-N 0 3 261.365 3.035 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000542760454 376576077 /nfs/dbraw/zinc/57/60/77/376576077.db2.gz FDCPRDYHWFYUTN-CABCVRRESA-N 0 3 295.471 3.103 20 30 CGEDHN COc1cc(CN2CC[C@H](C)[C@@H](C)C2)ccc1C#N ZINC000235000074 376629559 /nfs/dbraw/zinc/62/95/59/376629559.db2.gz IEVXEAVPAIHJHO-STQMWFEESA-N 0 3 258.365 3.045 20 30 CGEDHN COc1c(C)cc(CN2CCC(CC#N)CC2)cc1C ZINC000543781072 376678196 /nfs/dbraw/zinc/67/81/96/376678196.db2.gz QCKKNNSRDGDQMB-UHFFFAOYSA-N 0 3 272.392 3.438 20 30 CGEDHN C=C(C)CN1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000264520472 190115883 /nfs/dbraw/zinc/11/58/83/190115883.db2.gz WOHFKCHJOHNCSS-UHFFFAOYSA-N 0 3 273.355 3.150 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000237845733 376763210 /nfs/dbraw/zinc/76/32/10/376763210.db2.gz UICZRJIJIVNDMX-SFHVURJKSA-N 0 3 277.371 3.245 20 30 CGEDHN COc1ccc(CNCCCCC#N)c(Cl)c1OC ZINC000237237817 376735268 /nfs/dbraw/zinc/73/52/68/376735268.db2.gz NBNRJFFDYVGECG-UHFFFAOYSA-N 0 3 282.771 3.141 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1CCC ZINC000544528751 376743378 /nfs/dbraw/zinc/74/33/78/376743378.db2.gz ITTZWSVWXBPQNZ-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCCCCN1CCC(OC)(C(F)(F)F)CC1 ZINC000557259641 376926295 /nfs/dbraw/zinc/92/62/95/376926295.db2.gz UEEMJMQDXYOFOX-UHFFFAOYSA-N 0 3 265.319 3.386 20 30 CGEDHN CCN(Cc1cccc(C(=O)OC)c1C#N)C1CCCC1 ZINC000559394856 377083684 /nfs/dbraw/zinc/08/36/84/377083684.db2.gz VCEGGUPJOZWCLM-UHFFFAOYSA-N 0 3 286.375 3.109 20 30 CGEDHN C[C@H]1CN(CCCSCC#N)[C@H]1c1ccccc1 ZINC000248369771 377297235 /nfs/dbraw/zinc/29/72/35/377297235.db2.gz WRANDOFDFYNNKI-DZGCQCFKSA-N 0 3 260.406 3.326 20 30 CGEDHN CC#CCCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248389787 377303998 /nfs/dbraw/zinc/30/39/98/377303998.db2.gz GXPZAVAGTNSPFI-CABCVRRESA-N 0 3 298.213 3.297 20 30 CGEDHN CC#CCCN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000248398478 377308210 /nfs/dbraw/zinc/30/82/10/377308210.db2.gz UEXGGQHSDJLMJF-ZIAGYGMSSA-N 0 3 263.406 3.049 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000248401794 377308819 /nfs/dbraw/zinc/30/88/19/377308819.db2.gz SUGIAEJHDQAHEY-DJIMGWMZSA-N 0 3 271.408 3.104 20 30 CGEDHN C=CCCCCCN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000248654633 377377597 /nfs/dbraw/zinc/37/75/97/377377597.db2.gz AQZYJSHEZNCELL-HRCADAONSA-N 0 3 267.413 3.001 20 30 CGEDHN CCN(CC)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccco1 ZINC000248699457 377383415 /nfs/dbraw/zinc/38/34/15/377383415.db2.gz AAIHZLMERPEQCC-OWCLPIDISA-N 0 3 289.423 3.334 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCNc1ncc(C#N)cc1Cl ZINC000341103734 377399006 /nfs/dbraw/zinc/39/90/06/377399006.db2.gz OELWSAWHLRRMHB-RYUDHWBXSA-N 0 3 292.814 3.281 20 30 CGEDHN CC[C@H](C)CN(C)Cc1cn2ccccc2c1C#N ZINC000341005508 377353947 /nfs/dbraw/zinc/35/39/47/377353947.db2.gz FPRAJAYGPKEEDU-ZDUSSCGKSA-N 0 3 255.365 3.289 20 30 CGEDHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216236 377421212 /nfs/dbraw/zinc/42/12/12/377421212.db2.gz UATZHDSIRIIMRA-RISCZKNCSA-N 0 3 273.336 3.087 20 30 CGEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000341220462 377451100 /nfs/dbraw/zinc/45/11/00/377451100.db2.gz NDVNUVFSPSCSBA-QGZVFWFLSA-N 0 3 293.370 3.238 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000248800118 377402710 /nfs/dbraw/zinc/40/27/10/377402710.db2.gz JOVBJMINIJTDKI-NZSAHSFTSA-N 0 3 297.446 3.495 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000563786016 377472811 /nfs/dbraw/zinc/47/28/11/377472811.db2.gz QFOGPKGKOJXWEL-FZQKWOKYSA-N 0 3 269.747 3.473 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](C)[C@H](OC)C2)c1 ZINC000249242240 377480855 /nfs/dbraw/zinc/48/08/55/377480855.db2.gz WSTDKMSAXFVFSM-RHSMWYFYSA-N 0 3 275.392 3.108 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000572205169 377547935 /nfs/dbraw/zinc/54/79/35/377547935.db2.gz ZPJONJYHTRBECY-IYBDPMFKSA-N 0 3 299.462 3.402 20 30 CGEDHN COCCN(Cc1ccccc1C#N)[C@@H]1CCC[C@@H]1C ZINC000487967504 249172040 /nfs/dbraw/zinc/17/20/40/249172040.db2.gz ZEEMNMUQILUWAL-WMLDXEAASA-N 0 3 272.392 3.195 20 30 CGEDHN CN(C)C1(CNc2cccc(C(F)F)c2C#N)CC1 ZINC000515671306 249218324 /nfs/dbraw/zinc/21/83/24/249218324.db2.gz DYFWNSZYSVVSHB-UHFFFAOYSA-N 0 3 265.307 3.002 20 30 CGEDHN N#CCCCOc1cccc(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000342214981 377633631 /nfs/dbraw/zinc/63/36/31/377633631.db2.gz OWLXCAIINQGUIR-KBPBESRZSA-N 0 3 280.318 3.112 20 30 CGEDHN CC[C@H](C)N[C@H](CNc1nc(C)ccc1C#N)c1ccco1 ZINC000343252193 377939864 /nfs/dbraw/zinc/93/98/64/377939864.db2.gz QAIIPLQLINRGGH-SWLSCSKDSA-N 0 3 298.390 3.396 20 30 CGEDHN C=CCCN(C)Cc1cc2c(cc1SC)OCCO2 ZINC000343443874 377980535 /nfs/dbraw/zinc/98/05/35/377980535.db2.gz OUYFZUTVDWGFMY-UHFFFAOYSA-N 0 3 279.405 3.188 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](C)[C@H](OC)C1 ZINC000343468171 377988466 /nfs/dbraw/zinc/98/84/66/377988466.db2.gz LKJBMUINQVLYIG-RHSMWYFYSA-N 0 3 275.392 3.108 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000343466081 377989236 /nfs/dbraw/zinc/98/92/36/377989236.db2.gz IHIZECJIPIXGHH-WMLDXEAASA-N 0 3 275.392 3.108 20 30 CGEDHN CCC[C@@]1(C)CCCN(Cc2ccc(C#N)cn2)C1 ZINC000577861912 378018208 /nfs/dbraw/zinc/01/82/08/378018208.db2.gz QGHMWATXWZXQBT-INIZCTEOSA-N 0 3 257.381 3.355 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000343498103 377996432 /nfs/dbraw/zinc/99/64/32/377996432.db2.gz ACXXWKRZJQWBOP-GOEBONIOSA-N 0 3 278.440 3.254 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1ccc(F)cc1 ZINC000268632167 378083917 /nfs/dbraw/zinc/08/39/17/378083917.db2.gz KQSIWTJTIPPWEZ-IUODEOHRSA-N 0 3 251.345 3.146 20 30 CGEDHN N#CCc1ccc(CN(CCCO)Cc2ccccc2)cc1 ZINC000343613278 378041662 /nfs/dbraw/zinc/04/16/62/378041662.db2.gz PDPUIFGNVCISCF-UHFFFAOYSA-N 0 3 294.398 3.137 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000343688140 378066162 /nfs/dbraw/zinc/06/61/62/378066162.db2.gz GFJHXVVADAFUHX-GFCCVEGCSA-N 0 3 282.318 3.269 20 30 CGEDHN C[C@H]1c2ccccc2CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268630022 378082914 /nfs/dbraw/zinc/08/29/14/378082914.db2.gz BLCJEMJXKWKSRM-IFXJQAMLSA-N 0 3 292.382 3.211 20 30 CGEDHN CC1(C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000578993172 378120437 /nfs/dbraw/zinc/12/04/37/378120437.db2.gz SIGAUQZTNCMPSD-CABCVRRESA-N 0 3 299.374 3.477 20 30 CGEDHN C=CCOCCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000344196480 378163127 /nfs/dbraw/zinc/16/31/27/378163127.db2.gz KMMGWNDQZDOAIZ-HNNXBMFYSA-N 0 3 283.799 3.210 20 30 CGEDHN Cc1ccccc1CN(Cc1ccccn1)C(=O)C(C)C#N ZINC000345792764 378370127 /nfs/dbraw/zinc/37/01/27/378370127.db2.gz IETWEJHSKDBVTO-HNNXBMFYSA-N 0 3 293.370 3.079 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccccc1OC(F)F ZINC000345824630 378379227 /nfs/dbraw/zinc/37/92/27/378379227.db2.gz ZSWNEOKVDJDLAW-MWLCHTKSSA-N 0 3 282.290 3.015 20 30 CGEDHN CN(Cc1ccc(C#N)s1)C1Cc2ccccc2C1 ZINC000271126420 378457860 /nfs/dbraw/zinc/45/78/60/378457860.db2.gz HPDIHBCSUKUZIL-UHFFFAOYSA-N 0 3 268.385 3.219 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](COC)C2)cc1Cl ZINC000271160386 378466737 /nfs/dbraw/zinc/46/67/37/378466737.db2.gz FKGKUBOFPGORDC-CQSZACIVSA-N 0 3 295.810 3.373 20 30 CGEDHN C[C@@H](NCCC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271942541 378525781 /nfs/dbraw/zinc/52/57/81/378525781.db2.gz MGDKAHFLCFGHKY-LLVKDONJSA-N 0 3 292.354 3.080 20 30 CGEDHN C[C@H](NCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000271912488 378514599 /nfs/dbraw/zinc/51/45/99/378514599.db2.gz YFXIJWUOQQZYQM-ZDUSSCGKSA-N 0 3 288.391 3.331 20 30 CGEDHN CC(C)[C@H](O)C(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271983573 378536407 /nfs/dbraw/zinc/53/64/07/378536407.db2.gz XKBFKRMEWNJUEH-LRDDRELGSA-N 0 3 292.398 3.391 20 30 CGEDHN C=CCN(CC=C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000637833154 378596494 /nfs/dbraw/zinc/59/64/94/378596494.db2.gz OQAJEAKHQDRVPA-INIZCTEOSA-N 0 3 256.393 3.187 20 30 CGEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(CO)c1 ZINC000272269641 378600477 /nfs/dbraw/zinc/60/04/77/378600477.db2.gz NDXIWCFQSSJJNI-CQSZACIVSA-N 0 3 292.382 3.390 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc2c(c1)ncn2C ZINC000272607648 378676698 /nfs/dbraw/zinc/67/66/98/378676698.db2.gz JVSAVBIPUNKQKW-UHFFFAOYSA-N 0 3 295.386 3.397 20 30 CGEDHN C=CCCCN(C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000346965627 378700173 /nfs/dbraw/zinc/70/01/73/378700173.db2.gz QXYWWOZDJNHQFE-INIZCTEOSA-N 0 3 290.382 3.219 20 30 CGEDHN C#CCCCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274342438 378815581 /nfs/dbraw/zinc/81/55/81/378815581.db2.gz BAZWOTXUTOVOJW-MRVPVSSYSA-N 0 3 262.300 3.226 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCSC1 ZINC000278507816 194017884 /nfs/dbraw/zinc/01/78/84/194017884.db2.gz WKHWOUOVNFCNNU-OAHLLOKOSA-N 0 3 277.433 3.436 20 30 CGEDHN C=C(C)CN(CCC(=O)OC(C)C)Cc1ccccc1 ZINC000348237689 378855809 /nfs/dbraw/zinc/85/58/09/378855809.db2.gz NZKUYWZQLZKQBE-UHFFFAOYSA-N 0 3 275.392 3.406 20 30 CGEDHN C=C(C)CCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000274801337 378898129 /nfs/dbraw/zinc/89/81/29/378898129.db2.gz VGXVIDFNZFBHGR-RMKNXTFCSA-N 0 3 270.420 3.284 20 30 CGEDHN C=C(C)COCCNCc1cc(Cl)cc(Cl)c1N ZINC000638758377 378900203 /nfs/dbraw/zinc/90/02/03/378900203.db2.gz ZNYRFHZHMKAAAC-UHFFFAOYSA-N 0 3 289.206 3.258 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCc1ccc(F)cc1C#N ZINC000348465674 378959701 /nfs/dbraw/zinc/95/97/01/378959701.db2.gz DPVBDNSLDHPQEM-CABCVRRESA-N 0 3 278.396 3.461 20 30 CGEDHN C=CCOc1ccc(CN(C)CCCCO)cc1Cl ZINC000276721200 378984822 /nfs/dbraw/zinc/98/48/22/378984822.db2.gz WSPLCROWTGDMRZ-UHFFFAOYSA-N 0 3 283.799 3.109 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc2nccnc2c1 ZINC000639112103 379036136 /nfs/dbraw/zinc/03/61/36/379036136.db2.gz NNEZUOTVVCMZIE-CQSZACIVSA-N 0 3 253.349 3.170 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cn(C)nc1C)c1ccc(C#N)cc1 ZINC000278752917 194138053 /nfs/dbraw/zinc/13/80/53/194138053.db2.gz NXWRUKADOUGRQP-SJCJKPOMSA-N 0 3 282.391 3.402 20 30 CGEDHN N#CCCCCN1CC=C(c2ccc(O)cc2)CC1 ZINC000371518838 379165570 /nfs/dbraw/zinc/16/55/70/379165570.db2.gz UAQGNADCSNWOQY-UHFFFAOYSA-N 0 3 256.349 3.175 20 30 CGEDHN C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000266521388 190263690 /nfs/dbraw/zinc/26/36/90/190263690.db2.gz ZMVKUGYIYXBWLM-QWHCGFSZSA-N 0 3 288.391 3.329 20 30 CGEDHN CC[C@@H](NC[C@@H](O)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278902252 194204136 /nfs/dbraw/zinc/20/41/36/194204136.db2.gz ZLJRRXMKNWSVIL-HZPDHXFCSA-N 0 3 284.359 3.234 20 30 CGEDHN CC[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(C#N)cc1 ZINC000278157099 379304991 /nfs/dbraw/zinc/30/49/91/379304991.db2.gz AXIAPCACSZZSOO-SJORKVTESA-N 0 3 294.402 3.410 20 30 CGEDHN CCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349814899 379396335 /nfs/dbraw/zinc/39/63/35/379396335.db2.gz WSRCXFZESKRTEC-LSDHHAIUSA-N 0 3 258.365 3.257 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000349814748 379397764 /nfs/dbraw/zinc/39/77/64/379397764.db2.gz WCGVPEUEFFCWGY-RYUDHWBXSA-N 0 3 284.281 3.367 20 30 CGEDHN CC1=C(c2ccco2)CN(CCCSCC#N)CC1 ZINC000374532038 379454732 /nfs/dbraw/zinc/45/47/32/379454732.db2.gz UCBPJFHKLDQMRB-UHFFFAOYSA-N 0 3 276.405 3.406 20 30 CGEDHN C=CCCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000351064594 379630717 /nfs/dbraw/zinc/63/07/17/379630717.db2.gz PAYQQFVZEXSIJO-UHFFFAOYSA-N 0 3 267.376 3.197 20 30 CGEDHN C=C(C)CCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639916891 379642462 /nfs/dbraw/zinc/64/24/62/379642462.db2.gz CGKKXKVZALAIBN-CQSZACIVSA-N 0 3 271.763 3.458 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000280489160 379715659 /nfs/dbraw/zinc/71/56/59/379715659.db2.gz MDEUXLCYAXUXBV-INIZCTEOSA-N 0 3 276.355 3.088 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000280691460 379764393 /nfs/dbraw/zinc/76/43/93/379764393.db2.gz BFTBWEQSFXNIND-KEYYUXOJSA-N 0 3 275.392 3.332 20 30 CGEDHN C=CCCCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280870639 379809122 /nfs/dbraw/zinc/80/91/22/379809122.db2.gz OBCUMZBJKBKTJL-GOEBONIOSA-N 0 3 295.448 3.025 20 30 CGEDHN CCCC[C@@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000352821224 379981594 /nfs/dbraw/zinc/98/15/94/379981594.db2.gz GVTFTRIIDKKBIB-DGCLKSJQSA-N 0 3 263.410 3.463 20 30 CGEDHN C=CCc1ccccc1OC[C@@H](O)CN(CC)CC(=C)C ZINC000641937412 380122959 /nfs/dbraw/zinc/12/29/59/380122959.db2.gz VYXRXELOUWNHRB-KRWDZBQOSA-N 0 3 289.419 3.053 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)cc1C ZINC000414102559 380191643 /nfs/dbraw/zinc/19/16/43/380191643.db2.gz MXFGHAUEZJKMNR-AWEZNQCLSA-N 0 3 263.381 3.247 20 30 CGEDHN CN(CCOCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000268271574 190391609 /nfs/dbraw/zinc/39/16/09/190391609.db2.gz HHYWOVZNYBXFHW-UHFFFAOYSA-N 0 3 280.371 3.207 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)CC1CC(OCC)C1 ZINC000285842519 380152706 /nfs/dbraw/zinc/15/27/06/380152706.db2.gz CKXYLTDTTBIJFZ-UHFFFAOYSA-N 0 3 284.403 3.361 20 30 CGEDHN CN(C)Cc1ccc(NCc2ccc(C#N)s2)c(F)c1 ZINC000414490715 380267205 /nfs/dbraw/zinc/26/72/05/380267205.db2.gz RVFFORJGHJNQTJ-UHFFFAOYSA-N 0 3 289.379 3.433 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000414335184 380214842 /nfs/dbraw/zinc/21/48/42/380214842.db2.gz YASXIJHDEATLLM-VHSXEESVSA-N 0 3 251.399 3.106 20 30 CGEDHN CN(C)Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(F)c1 ZINC000414496838 380272480 /nfs/dbraw/zinc/27/24/80/380272480.db2.gz JDUUZIWBKMADIX-GXTWGEPZSA-N 0 3 275.371 3.382 20 30 CGEDHN C[C@H](N[C@H]1CSC[C@H]1C)c1ccc(C#N)cc1F ZINC000354010293 380276675 /nfs/dbraw/zinc/27/66/75/380276675.db2.gz MXNOEHXRUQFYJK-BFVZDQMLSA-N 0 3 264.369 3.099 20 30 CGEDHN COc1cc(CN2CC(C)(C)C[C@@H]2C)ccc1C#N ZINC000414522235 380294706 /nfs/dbraw/zinc/29/47/06/380294706.db2.gz GHBFKEHSNBLDGT-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cccc(OC)n1 ZINC000414528493 380301423 /nfs/dbraw/zinc/30/14/23/380301423.db2.gz ASSLRWDPFCNDLH-MRXNPFEDSA-N 0 3 282.387 3.367 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cscn1 ZINC000414535160 380305120 /nfs/dbraw/zinc/30/51/20/380305120.db2.gz KXNVSLUHVJNWRR-AWEZNQCLSA-N 0 3 258.390 3.420 20 30 CGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000416316992 380526340 /nfs/dbraw/zinc/52/63/40/380526340.db2.gz CHPLILQEDSJSOA-DLTWYDFYSA-N 0 3 284.403 3.262 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000645023051 380567191 /nfs/dbraw/zinc/56/71/91/380567191.db2.gz YFQAJGRJVOXZGG-DZGCQCFKSA-N 0 3 265.784 3.066 20 30 CGEDHN C=CCOCCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000645092301 380577164 /nfs/dbraw/zinc/57/71/64/380577164.db2.gz JXUSRBPGVPKZFI-AWEZNQCLSA-N 0 3 286.375 3.210 20 30 CGEDHN C=CCOCCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000645092302 380577659 /nfs/dbraw/zinc/57/76/59/380577659.db2.gz JXUSRBPGVPKZFI-CQSZACIVSA-N 0 3 286.375 3.210 20 30 CGEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCCC2)s1 ZINC000418130088 380708820 /nfs/dbraw/zinc/70/88/20/380708820.db2.gz UETSXNDZVRCATL-ZDUSSCGKSA-N 0 3 278.421 3.041 20 30 CGEDHN C=C(CC)CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418268529 380716125 /nfs/dbraw/zinc/71/61/25/380716125.db2.gz RPEVPSQFJPXFCB-QGZVFWFLSA-N 0 3 297.402 3.105 20 30 CGEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCC(C)(C)C1 ZINC000355589532 380720521 /nfs/dbraw/zinc/72/05/21/380720521.db2.gz ZCVGCBSHDZZDRD-CQSZACIVSA-N 0 3 282.391 3.216 20 30 CGEDHN C=CCN(CCC[C@@H]1CCOC1)Cc1ccc(OC)cc1 ZINC000645780474 380728812 /nfs/dbraw/zinc/72/88/12/380728812.db2.gz SQIOPRYOFCSLMC-QGZVFWFLSA-N 0 3 289.419 3.500 20 30 CGEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CC1)CC(C)C ZINC000419230424 380783417 /nfs/dbraw/zinc/78/34/17/380783417.db2.gz PWQINCQTZURTRU-INIZCTEOSA-N 0 3 272.392 3.198 20 30 CGEDHN COc1ccc2c(c1)OC(C)(C)CN(CCCCC#N)C2 ZINC000421039463 380870303 /nfs/dbraw/zinc/87/03/03/380870303.db2.gz MDKXRXINTBDFBQ-UHFFFAOYSA-N 0 3 288.391 3.362 20 30 CGEDHN C=CCC[C@@H](CC)NCc1nnc(C(C)C)s1 ZINC000358265772 381298918 /nfs/dbraw/zinc/29/89/18/381298918.db2.gz KNXHCPQVJYABJN-LLVKDONJSA-N 0 3 253.415 3.496 20 30 CGEDHN CC#CCCCC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000359547015 381351168 /nfs/dbraw/zinc/35/11/68/381351168.db2.gz RFDLPHYTQOGYIZ-GJZGRUSLSA-N 0 3 290.407 3.019 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000360214403 381483371 /nfs/dbraw/zinc/48/33/71/381483371.db2.gz WETLOLQVFGQBJU-YVEFUNNKSA-N 0 3 251.395 3.041 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOCC1CC1 ZINC000360656129 381607719 /nfs/dbraw/zinc/60/77/19/381607719.db2.gz GCXJPQKABFVZSN-SFHVURJKSA-N 0 3 284.403 3.342 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000361150460 381657732 /nfs/dbraw/zinc/65/77/32/381657732.db2.gz AJSQJKIXLZIKLU-KCQAQPDRSA-N 0 3 270.380 3.084 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000361150460 381657736 /nfs/dbraw/zinc/65/77/36/381657736.db2.gz AJSQJKIXLZIKLU-KCQAQPDRSA-N 0 3 270.380 3.084 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000361150460 381657742 /nfs/dbraw/zinc/65/77/42/381657742.db2.gz AJSQJKIXLZIKLU-KCQAQPDRSA-N 0 3 270.380 3.084 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N1CCCC2(C1)CCCCCC2 ZINC000362380330 381964310 /nfs/dbraw/zinc/96/43/10/381964310.db2.gz PQABCQAPWZQGNE-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](C)(CC)C1 ZINC000362390377 381970165 /nfs/dbraw/zinc/97/01/65/381970165.db2.gz ITYUFWXDUAAZDL-NVXWUHKLSA-N 0 3 280.456 3.312 20 30 CGEDHN N#CCC1(CN[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000366787151 382317584 /nfs/dbraw/zinc/31/75/84/382317584.db2.gz KLZPJJYAPVYJNK-AWEZNQCLSA-N 0 3 274.339 3.323 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)cc1F ZINC000335380761 208324278 /nfs/dbraw/zinc/32/42/78/208324278.db2.gz QGHTUERCADQKGY-WBVHZDCISA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1F ZINC000335381898 208326047 /nfs/dbraw/zinc/32/60/47/208326047.db2.gz WUUNPUHDOMWAEQ-HZPDHXFCSA-N 0 3 288.366 3.088 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2NCc1cccc(C#N)c1 ZINC000281135869 195118876 /nfs/dbraw/zinc/11/88/76/195118876.db2.gz FKDGJIBPPUAWRC-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN C=CCCOCCNCc1cccc(OC(F)(F)F)c1 ZINC000120805428 262234752 /nfs/dbraw/zinc/23/47/52/262234752.db2.gz QIQOVFRKHAWMEK-UHFFFAOYSA-N 0 3 289.297 3.268 20 30 CGEDHN COc1cc(C)cc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281671141 195330411 /nfs/dbraw/zinc/33/04/11/195330411.db2.gz LOPHIPCXYNOERM-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@@H](C)C1(C)CC1 ZINC000156731025 533266795 /nfs/dbraw/zinc/26/67/95/533266795.db2.gz LKNGSFJEUZEYIJ-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC(C)(C)C[C@@H]1C ZINC000412040097 533267767 /nfs/dbraw/zinc/26/77/67/533267767.db2.gz KCWWYEUGJFOPCF-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN COc1ccc2oc([C@@H](C)NC(=O)C(C)C#N)c(C)c2c1 ZINC000347140413 533356886 /nfs/dbraw/zinc/35/68/86/533356886.db2.gz TTYHHCBPCQKOOC-GXSJLCMTSA-N 0 3 286.331 3.087 20 30 CGEDHN C[C@@](O)(CCNCc1ccc(C#N)s1)c1ccccc1 ZINC000189820410 130026490 /nfs/dbraw/zinc/02/64/90/130026490.db2.gz URHUZEHGMZHHNQ-MRXNPFEDSA-N 0 3 286.400 3.007 20 30 CGEDHN CCCN(CCC(=O)CC)Cc1ccc(C#N)cc1 ZINC000190187768 130072200 /nfs/dbraw/zinc/07/22/00/130072200.db2.gz TXGJYDIQHFNOSX-UHFFFAOYSA-N 0 3 258.365 3.139 20 30 CGEDHN C=CCOCCNCc1cc(Cl)ccc1OC(F)F ZINC000388636698 542605692 /nfs/dbraw/zinc/60/56/92/542605692.db2.gz LJYWKTJOUCLJHF-UHFFFAOYSA-N 0 3 291.725 3.234 20 30 CGEDHN CC(C)=CCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000191628221 130265768 /nfs/dbraw/zinc/26/57/68/130265768.db2.gz ITKCMUCGHFCXLP-UHFFFAOYSA-N 0 3 280.375 3.015 20 30 CGEDHN C=C(C)CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192087322 130369082 /nfs/dbraw/zinc/36/90/82/130369082.db2.gz LNJQHOBHHRXENY-KBPBESRZSA-N 0 3 269.747 3.475 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093509185 392237608 /nfs/dbraw/zinc/23/76/08/392237608.db2.gz UZLYGOLTOFVYBD-KGLIPLIRSA-N 0 3 282.391 3.216 20 30 CGEDHN Cc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)c(C)c1 ZINC000232314789 130924267 /nfs/dbraw/zinc/92/42/67/130924267.db2.gz QBKZOPKRPJBLEV-AWEZNQCLSA-N 0 3 267.376 3.364 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CCC(C)C ZINC000361261050 392269668 /nfs/dbraw/zinc/26/96/68/392269668.db2.gz DAXKKABMJKVVNI-GOSISDBHSA-N 0 3 286.419 3.343 20 30 CGEDHN N#CCCCN[C@@H]1CCc2ccc(Br)cc21 ZINC000282335928 392289499 /nfs/dbraw/zinc/28/94/99/392289499.db2.gz GDKKIEKVGHIVLS-CYBMUJFWSA-N 0 3 279.181 3.330 20 30 CGEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442774382 542665666 /nfs/dbraw/zinc/66/56/66/542665666.db2.gz FADMGXKMGGHSNU-ZYHUDNBSSA-N 0 3 298.308 3.496 20 30 CGEDHN C=CCC[C@@H](NCCCc1nc(C)no1)c1ccco1 ZINC000286034498 392366514 /nfs/dbraw/zinc/36/65/14/392366514.db2.gz KHEBFQIIPJFYTK-CYBMUJFWSA-N 0 3 275.352 3.201 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccccc1C(F)(F)F ZINC000121848755 392416124 /nfs/dbraw/zinc/41/61/24/392416124.db2.gz FKYXZRFDZRAKBY-CYBMUJFWSA-N 0 3 287.325 3.464 20 30 CGEDHN CCN(CC#Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000289743489 392431969 /nfs/dbraw/zinc/43/19/69/392431969.db2.gz JRYUTMOYKPNDHG-KRWDZBQOSA-N 0 3 271.404 3.318 20 30 CGEDHN C#Cc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000289812169 392433129 /nfs/dbraw/zinc/43/31/29/392433129.db2.gz SWHUNXIEURPGNT-GOSISDBHSA-N 0 3 269.388 3.059 20 30 CGEDHN COc1ccc(CN2CCC[C@H]2C)cc1OCCCC#N ZINC000124385903 392433860 /nfs/dbraw/zinc/43/38/60/392433860.db2.gz XWMSNSGFPBTKNO-CQSZACIVSA-N 0 3 288.391 3.362 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000289922567 392436900 /nfs/dbraw/zinc/43/69/00/392436900.db2.gz UZHBKXOSZQKOCK-BXUZGUMPSA-N 0 3 288.416 3.316 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000121147491 392408254 /nfs/dbraw/zinc/40/82/54/392408254.db2.gz HJJFCGLVQDRZNF-GJZGRUSLSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CCC12CCOCC2 ZINC000367095189 392472236 /nfs/dbraw/zinc/47/22/36/392472236.db2.gz VVSCYVFPRZYQRP-KRWDZBQOSA-N 0 3 287.403 3.300 20 30 CGEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000374271770 392674797 /nfs/dbraw/zinc/67/47/97/392674797.db2.gz HQCSLNUHOZNSJG-HOTGVXAUSA-N 0 3 293.455 3.001 20 30 CGEDHN COC(=O)c1cc(CN(C)CCCC(C)(C)C#N)oc1C ZINC000174813420 392645838 /nfs/dbraw/zinc/64/58/38/392645838.db2.gz YPLRZSNWFGAHPM-UHFFFAOYSA-N 0 3 292.379 3.136 20 30 CGEDHN COCC[C@@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000375098447 392738467 /nfs/dbraw/zinc/73/84/67/392738467.db2.gz YCMKLQREHPPVHK-AWEZNQCLSA-N 0 3 290.382 3.336 20 30 CGEDHN CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000183064286 392751742 /nfs/dbraw/zinc/75/17/42/392751742.db2.gz IVOKBIXIMZVLFN-DLOVCJGASA-N 0 3 291.395 3.119 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000334313864 392719330 /nfs/dbraw/zinc/71/93/30/392719330.db2.gz OELQOPKDOJNYOB-ZYHUDNBSSA-N 0 3 296.292 3.181 20 30 CGEDHN Cc1ccc([C@@H](C)N(C)CCOCCC#N)c(C)c1 ZINC000338923639 392936764 /nfs/dbraw/zinc/93/67/64/392936764.db2.gz DUYVWLZFOGQZHV-OAHLLOKOSA-N 0 3 260.381 3.227 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000521217587 392927681 /nfs/dbraw/zinc/92/76/81/392927681.db2.gz BOUKFGWERDZOLQ-DLBZAZTESA-N 0 3 267.376 3.207 20 30 CGEDHN COc1c(C)cc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1C ZINC000338956310 392938056 /nfs/dbraw/zinc/93/80/56/392938056.db2.gz WVOXANDLWJRZQS-ZBFHGGJFSA-N 0 3 272.392 3.436 20 30 CGEDHN C=CCOCCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000339002842 392939272 /nfs/dbraw/zinc/93/92/72/392939272.db2.gz LQTYGZTXYCRNHF-HOCLYGCPSA-N 0 3 277.433 3.368 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000339071130 392946012 /nfs/dbraw/zinc/94/60/12/392946012.db2.gz QUTDWBQSDPAYPW-CQSZACIVSA-N 0 3 293.407 3.336 20 30 CGEDHN CCC[C@@]1(COC)CCCN1Cc1cc(C#N)cs1 ZINC000195198977 392960741 /nfs/dbraw/zinc/96/07/41/392960741.db2.gz AQGWTDZVCIONBW-HNNXBMFYSA-N 0 3 278.421 3.401 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1csc(C(C)C)n1 ZINC000411643175 392983433 /nfs/dbraw/zinc/98/34/33/392983433.db2.gz OTFIXSXZIGXYDY-UHFFFAOYSA-N 0 3 281.469 3.206 20 30 CGEDHN COc1cccc(C[C@@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000533445654 392996560 /nfs/dbraw/zinc/99/65/60/392996560.db2.gz HUIJTOCIRFHYRL-CYBMUJFWSA-N 0 3 298.361 3.427 20 30 CGEDHN C=CCc1cc(CN2CC[C@@H]2C(C)C)cc(OC)c1O ZINC000342847146 393011379 /nfs/dbraw/zinc/01/13/79/393011379.db2.gz AZWAPOJERUAOIG-OAHLLOKOSA-N 0 3 275.392 3.360 20 30 CGEDHN COc1ccc(CN2CC[C@H](C)C(C)(C)C2)cc1C#N ZINC000546125481 393033588 /nfs/dbraw/zinc/03/35/88/393033588.db2.gz JWILHOMAFXOHLW-ZDUSSCGKSA-N 0 3 272.392 3.435 20 30 CGEDHN C=CCOc1ccccc1CN(C)[C@@H](C)CC(=O)OCC ZINC000346339332 393084026 /nfs/dbraw/zinc/08/40/26/393084026.db2.gz SCGFXUROQXDGDN-AWEZNQCLSA-N 0 3 291.391 3.025 20 30 CGEDHN C=CCOc1ccc(CN(CC)C[C@@H](C)O)cc1Cl ZINC000348713376 393129204 /nfs/dbraw/zinc/12/92/04/393129204.db2.gz KRNVZIQTXWMHBI-GFCCVEGCSA-N 0 3 283.799 3.108 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@H](C)CN1C ZINC000351942642 393197125 /nfs/dbraw/zinc/19/71/25/393197125.db2.gz BHRKYGFAZZPYFS-HUUCEWRRSA-N 0 3 285.435 3.012 20 30 CGEDHN COCCC[C@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000355283708 393292097 /nfs/dbraw/zinc/29/20/97/393292097.db2.gz BUPIDISUTWTUNN-MRXNPFEDSA-N 0 3 298.386 3.279 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC000427580150 393458190 /nfs/dbraw/zinc/45/81/90/393458190.db2.gz NUEJLHAEFITKAP-NSHDSACASA-N 0 3 292.329 3.052 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)c(C)c1)c1c(C)nn(C)c1C ZINC000488281108 393477779 /nfs/dbraw/zinc/47/77/79/393477779.db2.gz RSBGTQXQZPLEIJ-KRWDZBQOSA-N 0 3 296.418 3.458 20 30 CGEDHN C[C@@H]1C[C@@H]1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000488316571 393485506 /nfs/dbraw/zinc/48/55/06/393485506.db2.gz GJYVFAZCPNEWAX-SIXLDLHFSA-N 0 3 254.377 3.414 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429594565 393491182 /nfs/dbraw/zinc/49/11/82/393491182.db2.gz YHLLETDLWDFMID-IUODEOHRSA-N 0 3 258.365 3.187 20 30 CGEDHN CN(CCN(C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000429708151 393495582 /nfs/dbraw/zinc/49/55/82/393495582.db2.gz LAAODSYHORAYNN-UHFFFAOYSA-N 0 3 293.414 3.122 20 30 CGEDHN N#CCC1(CNC/C=C\c2ccc(F)cc2F)CC1 ZINC000430034229 393512865 /nfs/dbraw/zinc/51/28/65/393512865.db2.gz IZSCIGOXKDOFAM-UPHRSURJSA-N 0 3 262.303 3.261 20 30 CGEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(CC#N)CC1 ZINC000430071442 393517096 /nfs/dbraw/zinc/51/70/96/393517096.db2.gz NVBQYRUIMYXWJD-UKTHLTGXSA-N 0 3 285.347 3.282 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663480 393531671 /nfs/dbraw/zinc/53/16/71/393531671.db2.gz HOHIWAAVNJAMGE-DLBZAZTESA-N 0 3 277.383 3.116 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000430196339 393536255 /nfs/dbraw/zinc/53/62/55/393536255.db2.gz LWMOMGWCJLJNAX-LLVKDONJSA-N 0 3 266.435 3.195 20 30 CGEDHN C=C(C)[C@@H](NCC1(O)CCC1)c1ccc(F)c(F)c1 ZINC000360629733 393571523 /nfs/dbraw/zinc/57/15/23/393571523.db2.gz OHHINXYQDFVHMJ-CQSZACIVSA-N 0 3 267.319 3.087 20 30 CGEDHN C=CCCCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000360636676 393571786 /nfs/dbraw/zinc/57/17/86/393571786.db2.gz USDCIABDYKLLBP-CQSZACIVSA-N 0 3 264.438 3.393 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCNc1ccc(F)cc1C#N ZINC000361023278 393647749 /nfs/dbraw/zinc/64/77/49/393647749.db2.gz UHXTYCZYCYNGGV-STQMWFEESA-N 0 3 275.371 3.372 20 30 CGEDHN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000361028922 393649739 /nfs/dbraw/zinc/64/97/39/393649739.db2.gz FTVZJJKJCPQJLW-PZSREKOKSA-N 0 3 288.366 3.306 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCSC1 ZINC000494948779 393777084 /nfs/dbraw/zinc/77/70/84/393777084.db2.gz CQDCCRLYTONOIW-MRXNPFEDSA-N 0 3 272.417 3.299 20 30 CGEDHN C=CCC1(CNCc2cc(C(=O)OC)co2)CCCC1 ZINC000449601882 393918238 /nfs/dbraw/zinc/91/82/38/393918238.db2.gz BHDQVDAURZWNHM-UHFFFAOYSA-N 0 3 277.364 3.292 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)Cc2cc(C#N)cs2)C12CCC2 ZINC000449627820 393926739 /nfs/dbraw/zinc/92/67/39/393926739.db2.gz AUTPICMDGZSDLG-KGLIPLIRSA-N 0 3 276.405 3.009 20 30 CGEDHN C[C@@H]1CC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000453637887 394264854 /nfs/dbraw/zinc/26/48/54/394264854.db2.gz YZPWSKRATGFVJO-MFKMUULPSA-N 0 3 298.308 3.234 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000672576993 543217513 /nfs/dbraw/zinc/21/75/13/543217513.db2.gz ABCQRTMBFPIONC-GXTWGEPZSA-N 0 3 275.392 3.465 20 30 CGEDHN CCN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CCOC1 ZINC000674250785 543277236 /nfs/dbraw/zinc/27/72/36/543277236.db2.gz GICDGFMCPDDPDQ-HNNXBMFYSA-N 0 3 277.795 3.050 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C1CC1)C1CCCCC1 ZINC000047903959 397635228 /nfs/dbraw/zinc/63/52/28/397635228.db2.gz MBLKKRKADIYAMC-UHFFFAOYSA-N 0 3 278.440 3.208 20 30 CGEDHN CC#CCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917042 397753524 /nfs/dbraw/zinc/75/35/24/397753524.db2.gz XMNCKSCXDVSNLC-BZSNNMDCSA-N 0 3 269.388 3.394 20 30 CGEDHN CCC#C[C@@H](C)N(C)CCCc1ccc(OC)cc1 ZINC000677048180 543427945 /nfs/dbraw/zinc/42/79/45/543427945.db2.gz ORALRCPDNMNOJB-OAHLLOKOSA-N 0 3 259.393 3.362 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(Oc2cc(C)ccc2C)CC1 ZINC000677478204 543450521 /nfs/dbraw/zinc/45/05/21/543450521.db2.gz RCMVBOFNKFFTPZ-KRWDZBQOSA-N 0 3 289.419 3.084 20 30 CGEDHN C=C(C)[C@H](CO)N(CC)Cc1ccc(Cl)cc1 ZINC000678049513 543479254 /nfs/dbraw/zinc/47/92/54/543479254.db2.gz LEHAJNRRMFTWMW-AWEZNQCLSA-N 0 3 253.773 3.099 20 30 CGEDHN CCC(CC)[C@H](NCC#CCOC)c1cccs1 ZINC000678756721 543553420 /nfs/dbraw/zinc/55/34/20/543553420.db2.gz PFRJZNZGQALUOU-HNNXBMFYSA-N 0 3 265.422 3.465 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000678756374 543553453 /nfs/dbraw/zinc/55/34/53/543553453.db2.gz DUKMTKUEMACGKF-HIFRSBDPSA-N 0 3 273.376 3.300 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000081197337 287071349 /nfs/dbraw/zinc/07/13/49/287071349.db2.gz UARKYZBHYLDMFR-IRXDYDNUSA-N 0 3 280.375 3.028 20 30 CGEDHN COc1ccccc1/C=C/CNCc1cccc(C#N)c1 ZINC000066971907 165039379 /nfs/dbraw/zinc/03/93/79/165039379.db2.gz XUYRKPUSNGVMGY-WEVVVXLNSA-N 0 3 278.355 3.370 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@]2(CCOC2)C1 ZINC000335241961 287141729 /nfs/dbraw/zinc/14/17/29/287141729.db2.gz UDIUWQUQLYBGAX-WMLDXEAASA-N 0 3 270.376 3.122 20 30 CGEDHN C=CC[C@H](CO)NCc1cc(Cl)ccc1OCC1CC1 ZINC000684663831 544024161 /nfs/dbraw/zinc/02/41/61/544024161.db2.gz CIWCTAKSRSGKAG-OAHLLOKOSA-N 0 3 295.810 3.155 20 30 CGEDHN C=CCc1cc(CN2CC(C(C)C)C2)cc(OC)c1O ZINC000684407794 543994905 /nfs/dbraw/zinc/99/49/05/543994905.db2.gz IQQYXBDJABMHGI-UHFFFAOYSA-N 0 3 275.392 3.217 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1C ZINC000336603467 227171645 /nfs/dbraw/zinc/17/16/45/227171645.db2.gz WGKZFNRELCYCQF-ZFWWWQNUSA-N 0 3 256.349 3.127 20 30 CGEDHN N#CCC1(CNC/C=C/c2ccc(F)c(F)c2)CC1 ZINC000352705177 227171831 /nfs/dbraw/zinc/17/18/31/227171831.db2.gz LAVKKDDJASPUBI-OWOJBTEDSA-N 0 3 262.303 3.261 20 30 CGEDHN Cc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1C ZINC000336603466 227172261 /nfs/dbraw/zinc/17/22/61/227172261.db2.gz WGKZFNRELCYCQF-UKRRQHHQSA-N 0 3 256.349 3.127 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3nccn32)cc1Cl ZINC000619748345 418934027 /nfs/dbraw/zinc/93/40/27/418934027.db2.gz IUROXDFQWFZIBH-UHFFFAOYSA-N 0 3 296.761 3.149 20 30 CGEDHN C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000659023474 418958126 /nfs/dbraw/zinc/95/81/26/418958126.db2.gz YJEFSPUXNZUEDZ-UHFFFAOYSA-N 0 3 273.380 3.156 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000654315589 418959882 /nfs/dbraw/zinc/95/98/82/418959882.db2.gz SXIIDOGELSRDAV-HZPDHXFCSA-N 0 3 290.451 3.256 20 30 CGEDHN CC1(C)Cc2cccc(C(=O)C(C#N)c3ccccn3)c2O1 ZINC000654969685 419012234 /nfs/dbraw/zinc/01/22/34/419012234.db2.gz AYBVZBRYGQRCDD-CQSZACIVSA-N 0 3 292.338 3.285 20 30 CGEDHN C=CCCCCCNCc1cn2cccc(F)c2n1 ZINC000655825303 419109150 /nfs/dbraw/zinc/10/91/50/419109150.db2.gz DAYIKEFZHNRKSE-UHFFFAOYSA-N 0 3 261.344 3.309 20 30 CGEDHN C=CCCn1cc(CN[C@H](CC)C2CCCCC2)nn1 ZINC000653608204 419059455 /nfs/dbraw/zinc/05/94/55/419059455.db2.gz ITYLSJYQOKUDAL-MRXNPFEDSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCCN(C)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656258054 419159989 /nfs/dbraw/zinc/15/99/89/419159989.db2.gz PGKWCZSWLXBQCE-UHFFFAOYSA-N 0 3 269.392 3.497 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@@H](N)C(C)C)nn1 ZINC000656457955 419173169 /nfs/dbraw/zinc/17/31/69/419173169.db2.gz UJJJEDYFECRQGI-WBVHZDCISA-N 0 3 284.407 3.294 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)[C@H]2CC2(F)F)cc1 ZINC000666445633 419217768 /nfs/dbraw/zinc/21/77/68/419217768.db2.gz VWPZLBUOPGUJBT-SMDDNHRTSA-N 0 3 267.319 3.385 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C2CCC2)n1C ZINC000661115538 419231882 /nfs/dbraw/zinc/23/18/82/419231882.db2.gz TXKNIJGCLHTWKG-DZGCQCFKSA-N 0 3 288.439 3.307 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncnn1C(C)C ZINC000661115004 419231893 /nfs/dbraw/zinc/23/18/93/419231893.db2.gz OBENGOBAJDBLPE-ZIAGYGMSSA-N 0 3 262.401 3.084 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@H](C)[C@H]2C)nn1 ZINC000657454317 419282597 /nfs/dbraw/zinc/28/25/97/419282597.db2.gz KMQYHQTXBCMNQL-ZNMIVQPWSA-N 0 3 276.428 3.016 20 30 CGEDHN C=C(CC)CNCc1cccc(F)c1OC(F)F ZINC000657485394 419290889 /nfs/dbraw/zinc/29/08/89/419290889.db2.gz YDLQIEWFNFYROG-UHFFFAOYSA-N 0 3 259.271 3.483 20 30 CGEDHN C=CCCC1(CNCc2ccnc(OC)n2)CCCC1 ZINC000657567481 419307789 /nfs/dbraw/zinc/30/77/89/419307789.db2.gz RJLZHNDQUSENDQ-UHFFFAOYSA-N 0 3 275.396 3.101 20 30 CGEDHN C=CCOCCCNCc1c(F)cc(C)cc1Cl ZINC000657658889 419320752 /nfs/dbraw/zinc/32/07/52/419320752.db2.gz IZRRXFRYLXLBCS-UHFFFAOYSA-N 0 3 271.763 3.470 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000662080660 419333678 /nfs/dbraw/zinc/33/36/78/419333678.db2.gz LEERWADRQWEXJS-ZOFXXKQRSA-N 0 3 290.451 3.062 20 30 CGEDHN C=CCCn1cc(CNC2CCC(C3CCC3)CC2)nn1 ZINC000657784622 419347293 /nfs/dbraw/zinc/34/72/93/419347293.db2.gz ZCBRFYKJSIUKMB-UHFFFAOYSA-N 0 3 288.439 3.303 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc2n1CCCCC2 ZINC000657819528 419367333 /nfs/dbraw/zinc/36/73/33/419367333.db2.gz GPSCZOVJFHTWKU-LSDHHAIUSA-N 0 3 288.439 3.229 20 30 CGEDHN C=CCC1(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CCCC1 ZINC000662889621 419503216 /nfs/dbraw/zinc/50/32/16/419503216.db2.gz ZTIAVMDIDQALCQ-GOEBONIOSA-N 0 3 286.419 3.328 20 30 CGEDHN C=CCCC(C)(C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662953091 419511396 /nfs/dbraw/zinc/51/13/96/419511396.db2.gz JGDLYRDIUDDCMP-OAHLLOKOSA-N 0 3 272.392 3.082 20 30 CGEDHN C=CCCCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000117877294 260117076 /nfs/dbraw/zinc/11/70/76/260117076.db2.gz LQVUZOCLIJFMAK-UHFFFAOYSA-N 0 3 288.391 3.159 20 30 CGEDHN N#CCC1(CNCc2ccccc2C(F)(F)F)CC1 ZINC000088249894 260229732 /nfs/dbraw/zinc/22/97/32/260229732.db2.gz ZMURIGLQYWTZBT-UHFFFAOYSA-N 0 3 268.282 3.489 20 30 CGEDHN N#CCCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000071090526 260271169 /nfs/dbraw/zinc/27/11/69/260271169.db2.gz DRUUQRGZLVTUKF-QGZVFWFLSA-N 0 3 265.360 3.454 20 30 CGEDHN C=C(CC)CNCc1cccc(OC)c1OC(F)F ZINC000313485801 260298303 /nfs/dbraw/zinc/29/83/03/260298303.db2.gz UGUDEHFUNNHJPZ-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN COc1cc(CNCCCC#N)cc2ccccc21 ZINC000449232982 260301682 /nfs/dbraw/zinc/30/16/82/260301682.db2.gz JXNKAPQPCATYDH-UHFFFAOYSA-N 0 3 254.333 3.242 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000363472105 260312949 /nfs/dbraw/zinc/31/29/49/260312949.db2.gz QDJQTMAFOAKBRO-OAHLLOKOSA-N 0 3 258.365 3.469 20 30 CGEDHN C=CCCCN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000448024881 260579579 /nfs/dbraw/zinc/57/95/79/260579579.db2.gz BCJRLXUODCRYNR-CYBMUJFWSA-N 0 3 270.380 3.193 20 30 CGEDHN CN(CCCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000127556399 260801100 /nfs/dbraw/zinc/80/11/00/260801100.db2.gz SAGMTPOXFRESBG-UHFFFAOYSA-N 0 3 272.270 3.321 20 30 CGEDHN CN(C)Cc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185727008 262068837 /nfs/dbraw/zinc/06/88/37/262068837.db2.gz QPCHXYOKXSEMMQ-DZGCQCFKSA-N 0 3 257.381 3.242 20 30 CGEDHN CCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000185777003 262069472 /nfs/dbraw/zinc/06/94/72/262069472.db2.gz GHYUIFIGFLBOPI-ZFWWWQNUSA-N 0 3 288.391 3.266 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000192740313 262210339 /nfs/dbraw/zinc/21/03/39/262210339.db2.gz ZZSAEGMMVLHHDA-OBJOEFQTSA-N 0 3 273.336 3.328 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000192987398 262213905 /nfs/dbraw/zinc/21/39/05/262213905.db2.gz HYRGRWHNNRWQQM-LNSITVRQSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCC[C@H](NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000160474879 262273687 /nfs/dbraw/zinc/27/36/87/262273687.db2.gz VERAZHBOAGTBMJ-AWEZNQCLSA-N 0 3 270.380 3.164 20 30 CGEDHN C[C@H]1CC[C@](CO)(N(C)CC#Cc2ccccc2Cl)C1 ZINC000495203096 262275419 /nfs/dbraw/zinc/27/54/19/262275419.db2.gz QFFIPQQJLPIRQW-YOEHRIQHSA-N 0 3 291.822 3.174 20 30 CGEDHN Cc1cc(C)c(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000397007211 269911469 /nfs/dbraw/zinc/91/14/69/269911469.db2.gz LJJZBHMURPIXKF-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN CC(C)(C#N)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000271999980 263001190 /nfs/dbraw/zinc/00/11/90/263001190.db2.gz HFWUFCTWMBPZSL-UHFFFAOYSA-N 0 3 297.402 3.341 20 30 CGEDHN CCC[C@@H](NCCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000273256084 263014354 /nfs/dbraw/zinc/01/43/54/263014354.db2.gz LVJXRPDKLMKSQW-CQSZACIVSA-N 0 3 261.325 3.329 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000278769671 263050905 /nfs/dbraw/zinc/05/09/05/263050905.db2.gz YOEIOGVMYIXSJC-UKRRQHHQSA-N 0 3 294.402 3.435 20 30 CGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCCCCC2)cc1 ZINC000279152558 263053340 /nfs/dbraw/zinc/05/33/40/263053340.db2.gz AWWHYZKDCDKVHK-INIZCTEOSA-N 0 3 295.386 3.080 20 30 CGEDHN CC(C)C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280128332 263059197 /nfs/dbraw/zinc/05/91/97/263059197.db2.gz VAGCKCDFXCOGQL-INIZCTEOSA-N 0 3 297.402 3.039 20 30 CGEDHN CC(C)(CCC#N)CN1CCC2(C1)Oc1ccccc1O2 ZINC000290222578 263115591 /nfs/dbraw/zinc/11/55/91/263115591.db2.gz RYSLAXXYWAMQNR-UHFFFAOYSA-N 0 3 286.375 3.190 20 30 CGEDHN C[C@H]1C[C@H](c2cccc(F)c2)N(CCOCCC#N)C1 ZINC000292837211 263135535 /nfs/dbraw/zinc/13/55/35/263135535.db2.gz PFEMHCJGZPPCCA-XJKSGUPXSA-N 0 3 276.355 3.139 20 30 CGEDHN CN(Cc1ccccc1N1CCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000293355156 263139371 /nfs/dbraw/zinc/13/93/71/263139371.db2.gz DVQKUPMPJHUIGW-WBVHZDCISA-N 0 3 283.419 3.411 20 30 CGEDHN Cc1cc(C)c2c(c1)CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000294574551 263163837 /nfs/dbraw/zinc/16/38/37/263163837.db2.gz MGXDOTDTFRGQKI-HOCLYGCPSA-N 0 3 254.377 3.354 20 30 CGEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ccncc1F ZINC000340526561 263185260 /nfs/dbraw/zinc/18/52/60/263185260.db2.gz AZCPAASIIDWTRW-PNESKVBLSA-N 0 3 261.344 3.201 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000298861731 263227205 /nfs/dbraw/zinc/22/72/05/263227205.db2.gz JBFQFZDDJRFYNM-KGLIPLIRSA-N 0 3 268.364 3.215 20 30 CGEDHN C=CCOc1cccc(CN(C)CCc2ccccn2)c1 ZINC000120776116 263288008 /nfs/dbraw/zinc/28/80/08/263288008.db2.gz VPPFEQRHZRYLGN-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN COCC1(NCc2cccc(OCCCC#N)c2)CCC1 ZINC000341228199 263328462 /nfs/dbraw/zinc/32/84/62/263328462.db2.gz QKCLZIXWIVZMQH-UHFFFAOYSA-N 0 3 288.391 3.028 20 30 CGEDHN C=CC[C@H](CO)CN[C@H]1C[C@@H](C)Sc2sccc21 ZINC000341885265 263363280 /nfs/dbraw/zinc/36/32/80/263363280.db2.gz LUERGYQZUMLCIJ-MDZLAQPJSA-N 0 3 283.462 3.448 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000341891693 263363850 /nfs/dbraw/zinc/36/38/50/263363850.db2.gz VOLUBCJUXXGWTD-SWLSCSKDSA-N 0 3 295.810 3.328 20 30 CGEDHN C=CCC[C@H](O)CN1CCC=C(c2ccccc2)C1 ZINC000341995021 263373114 /nfs/dbraw/zinc/37/31/14/263373114.db2.gz QZCCMAORNIKADP-KRWDZBQOSA-N 0 3 257.377 3.103 20 30 CGEDHN C=C1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000341998738 263373796 /nfs/dbraw/zinc/37/37/96/263373796.db2.gz VHUGKQPMNYNSMT-SFHVURJKSA-N 0 3 298.430 3.222 20 30 CGEDHN CCC[NH+]1CCC(NC(=O)c2ccc(CC)cc2[O-])CC1 ZINC000331229169 264151179 /nfs/dbraw/zinc/15/11/79/264151179.db2.gz FYISZNJXKFSSSA-UHFFFAOYSA-N 0 3 290.407 3.134 20 30 CGEDHN C=CCOc1ccc(CN(C)CC2(CO)CC2)cc1Cl ZINC000188948685 264259596 /nfs/dbraw/zinc/25/95/96/264259596.db2.gz FDUYFDVIULCDLX-UHFFFAOYSA-N 0 3 295.810 3.109 20 30 CGEDHN C=CCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000072977712 264281330 /nfs/dbraw/zinc/28/13/30/264281330.db2.gz NSSZAYUDNNWYBO-UHFFFAOYSA-N 0 3 296.773 3.316 20 30 CGEDHN N#Cc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)cc1F ZINC000192061402 270077084 /nfs/dbraw/zinc/07/70/84/270077084.db2.gz SJTFSSALHPQUII-HUUCEWRRSA-N 0 3 258.340 3.319 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000521062947 270100016 /nfs/dbraw/zinc/10/00/16/270100016.db2.gz DOFUCUXTQDQPPO-CQSZACIVSA-N 0 3 257.381 3.211 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(Cl)c(Cl)c1 ZINC000320920640 266008296 /nfs/dbraw/zinc/00/82/96/266008296.db2.gz COXWPQMXIQORQY-LLVKDONJSA-N 0 3 274.191 3.410 20 30 CGEDHN C=CCCC1(C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000356165930 266061624 /nfs/dbraw/zinc/06/16/24/266061624.db2.gz IRPXBYKGGGYGPR-UHFFFAOYSA-N 0 3 290.451 3.210 20 30 CGEDHN CC(C)Oc1ccc(CC[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000357801168 266366031 /nfs/dbraw/zinc/36/60/31/266366031.db2.gz UAQLDMYSZXFXEY-KBPBESRZSA-N 0 3 288.391 3.071 20 30 CGEDHN N#Cc1csc(CNCC2CCc3ccccc3CC2)n1 ZINC000527735520 270133179 /nfs/dbraw/zinc/13/31/79/270133179.db2.gz NTORTLSULFEYAU-UHFFFAOYSA-N 0 3 297.427 3.300 20 30 CGEDHN C=CCOCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000361746093 266878603 /nfs/dbraw/zinc/87/86/03/266878603.db2.gz UPNUDKDDMMQVCV-OAHLLOKOSA-N 0 3 273.376 3.225 20 30 CGEDHN C#Cc1ccc(CNCc2ccccc2-n2cccn2)cc1 ZINC000368017160 267134505 /nfs/dbraw/zinc/13/45/05/267134505.db2.gz GXOFDWOHBQZQPI-UHFFFAOYSA-N 0 3 287.366 3.143 20 30 CGEDHN Cc1noc([C@@H]2CCCN(CCCCC(C)(C)C#N)C2)n1 ZINC000368439260 267172337 /nfs/dbraw/zinc/17/23/37/267172337.db2.gz SJNSZJVJGJNKNU-CQSZACIVSA-N 0 3 290.411 3.278 20 30 CGEDHN C[C@H](NCC1(C#N)CCC1)C1CCC(F)(F)CC1 ZINC000418143237 267365635 /nfs/dbraw/zinc/36/56/35/267365635.db2.gz OXUPPKJPSMDWRC-NSHDSACASA-N 0 3 256.340 3.484 20 30 CGEDHN C[C@@H]1[C@@H](NCC2(C#N)CCC2)C[C@@H]1c1ccccc1 ZINC000418137570 267372190 /nfs/dbraw/zinc/37/21/90/267372190.db2.gz DZTXJGPRPITFNU-BPUTZDHNSA-N 0 3 254.377 3.462 20 30 CGEDHN C[C@H]1CC(F)(F)CCN1CCCOc1cccc(C#N)c1 ZINC000528763736 270171659 /nfs/dbraw/zinc/17/16/59/270171659.db2.gz BMZGZILQCHOUES-ZDUSSCGKSA-N 0 3 294.345 3.447 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@H]1CCN1C1CCCCC1 ZINC000528119608 268031489 /nfs/dbraw/zinc/03/14/89/268031489.db2.gz WWUJSWKGBPVXCB-MRXNPFEDSA-N 0 3 284.407 3.081 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(F)c1 ZINC000532987236 270220632 /nfs/dbraw/zinc/22/06/32/270220632.db2.gz FRJJVWYXRCTPAC-SCTDSRPQSA-N 0 3 292.357 3.373 20 30 CGEDHN C=CCN[C@H]1CCOc2c(Br)cccc21 ZINC000275719874 275432037 /nfs/dbraw/zinc/43/20/37/275432037.db2.gz NLDMXYMWAITGPG-NSHDSACASA-N 0 3 268.154 3.048 20 30 CGEDHN CC1(C)CC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)O1 ZINC000353594918 275830345 /nfs/dbraw/zinc/83/03/45/275830345.db2.gz IFVCUERTZJGULU-GDBMZVCRSA-N 0 3 270.376 3.093 20 30 CGEDHN CC1(C)CC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)O1 ZINC000353594923 275830358 /nfs/dbraw/zinc/83/03/58/275830358.db2.gz IFVCUERTZJGULU-ZBFHGGJFSA-N 0 3 270.376 3.093 20 30 CGEDHN CC1(C)CCC[C@H](CNCc2nc(C#N)cs2)C1 ZINC000449747854 276109905 /nfs/dbraw/zinc/10/99/05/276109905.db2.gz KPOJGNYRMYWWGR-NSHDSACASA-N 0 3 263.410 3.321 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCC[C@@H]1SCC ZINC000348472300 276860788 /nfs/dbraw/zinc/86/07/88/276860788.db2.gz XHKNOFQVKMCWIR-KKUMJFAQSA-N 0 3 298.496 3.063 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000334777468 278132814 /nfs/dbraw/zinc/13/28/14/278132814.db2.gz SKLVPISTCMXHKH-RDTXWAMCSA-N 0 3 290.366 3.320 20 30 CGEDHN CC(C(=O)N1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000335377310 278191670 /nfs/dbraw/zinc/19/16/70/278191670.db2.gz WWUZDUQOMPOUIJ-VIFPVBQESA-N 0 3 282.265 3.036 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000183784064 278337259 /nfs/dbraw/zinc/33/72/59/278337259.db2.gz KPWLQFCOTJDKHQ-DOMZBBRYSA-N 0 3 297.320 3.214 20 30 CGEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccnc1 ZINC000335184602 278387130 /nfs/dbraw/zinc/38/71/30/278387130.db2.gz MRHXOGTYRIVERE-PXAZEXFGSA-N 0 3 263.344 3.291 20 30 CGEDHN C[C@@H](Nc1ccc(C#N)cn1)[C@H](c1ccccc1)N(C)C ZINC000280938955 278389922 /nfs/dbraw/zinc/38/99/22/278389922.db2.gz IGGMOLQLYYZDIF-CXAGYDPISA-N 0 3 280.375 3.057 20 30 CGEDHN CC(C(=O)N1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000335377308 289281096 /nfs/dbraw/zinc/28/10/96/289281096.db2.gz WWUZDUQOMPOUIJ-SECBINFHSA-N 0 3 282.265 3.036 20 30 CGEDHN COc1cc(C)c(CN2CCC(CCC#N)CC2)c(C)n1 ZINC000570802520 327620281 /nfs/dbraw/zinc/62/02/81/327620281.db2.gz QTOXJRMKJAIVGF-UHFFFAOYSA-N 0 3 287.407 3.223 20 30 CGEDHN C=CCCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000338539303 327983393 /nfs/dbraw/zinc/98/33/93/327983393.db2.gz DWICWNKKPPCNBZ-UHFFFAOYSA-N 0 3 279.355 3.006 20 30 CGEDHN C=CCC[C@H](NCc1cnc(N(C)C)n1C)c1ccccc1 ZINC000414362411 328155386 /nfs/dbraw/zinc/15/53/86/328155386.db2.gz SGGDPVWWEIULKB-KRWDZBQOSA-N 0 3 298.434 3.283 20 30 CGEDHN C=CCc1cc(CN[C@@H]2CS[C@@H](C)C2)cc(OC)c1O ZINC000414501459 328189977 /nfs/dbraw/zinc/18/99/77/328189977.db2.gz NLYOHEKFPBALIA-FZMZJTMJSA-N 0 3 293.432 3.113 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cccc3c2OCCCO3)C1 ZINC000274170496 328208815 /nfs/dbraw/zinc/20/88/15/328208815.db2.gz BLLYEUWFVPNBST-HIFRSBDPSA-N 0 3 286.375 3.020 20 30 CGEDHN N#Cc1cccc(NC(=O)CN2CC[C@@H](C3CCCC3)C2)c1 ZINC000567460925 322163989 /nfs/dbraw/zinc/16/39/89/322163989.db2.gz FKHCSFLWSLFOPN-MRXNPFEDSA-N 0 3 297.402 3.009 20 30 CGEDHN CC(C)(CCC#N)CNc1ccnc2ccccc21 ZINC000340936386 328402572 /nfs/dbraw/zinc/40/25/72/328402572.db2.gz OIEPBGGLXTWIIU-UHFFFAOYSA-N 0 3 253.349 3.399 20 30 CGEDHN C#Cc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000289556985 328527261 /nfs/dbraw/zinc/52/72/61/328527261.db2.gz GOLMCKHJDAVEDE-UHFFFAOYSA-N 0 3 291.394 3.152 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CSC1(C)C ZINC000338476937 327002418 /nfs/dbraw/zinc/00/24/18/327002418.db2.gz KUVMOOTYXCPCOG-AWEZNQCLSA-N 0 3 263.406 3.235 20 30 CGEDHN CC[C@@H]1CN(Cc2ccc(CC#N)cc2)CCS1 ZINC000343538207 327032497 /nfs/dbraw/zinc/03/24/97/327032497.db2.gz NLNJNWXJNPBUAQ-OAHLLOKOSA-N 0 3 260.406 3.080 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000090884011 327101532 /nfs/dbraw/zinc/10/15/32/327101532.db2.gz IQPHYZYVXIHIBH-LBPRGKRZSA-N 0 3 267.344 3.078 20 30 CGEDHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000107070117 327247584 /nfs/dbraw/zinc/24/75/84/327247584.db2.gz JXKGFJCWNNXGRW-GJZGRUSLSA-N 0 3 299.418 3.068 20 30 CGEDHN C=C(C)CN1CCC(Nc2nccc(C(C)(C)C)n2)CC1 ZINC000560997494 327356849 /nfs/dbraw/zinc/35/68/49/327356849.db2.gz KIDZUFVHERFJCJ-UHFFFAOYSA-N 0 3 288.439 3.227 20 30 CGEDHN C[C@H](N(C)Cc1ccc(C#N)cc1[N+](=O)[O-])C1(C)CC1 ZINC000582908067 329286634 /nfs/dbraw/zinc/28/66/34/329286634.db2.gz RPDGFFWPFSINIM-NSHDSACASA-N 0 3 273.336 3.087 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@H](O)C(C)(C)C ZINC000582920233 329289080 /nfs/dbraw/zinc/28/90/80/329289080.db2.gz LQESQFILBPOFOR-INIZCTEOSA-N 0 3 261.409 3.124 20 30 CGEDHN C[C@@H](C1CC1)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000583063092 329309485 /nfs/dbraw/zinc/30/94/85/329309485.db2.gz QQBQIBIGQMZKIL-JTQLQIEISA-N 0 3 280.318 3.390 20 30 CGEDHN C=CCCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186324731 329341099 /nfs/dbraw/zinc/34/10/99/329341099.db2.gz NJTHXNLUYHDMAB-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccccc1C(F)(F)F ZINC000321536155 329372579 /nfs/dbraw/zinc/37/25/79/329372579.db2.gz ZLMDTPOEDOFXOC-LBPRGKRZSA-N 0 3 273.298 3.122 20 30 CGEDHN C=CCSCCNCc1cccc(OCCC)c1 ZINC000222056739 329679050 /nfs/dbraw/zinc/67/90/50/329679050.db2.gz BJDBNJBLWFXTGF-UHFFFAOYSA-N 0 3 265.422 3.484 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000432093882 329803928 /nfs/dbraw/zinc/80/39/28/329803928.db2.gz SEBXHTILKFPKKW-HUUCEWRRSA-N 0 3 295.471 3.151 20 30 CGEDHN C#CCN(CC)Cc1cccc(OCc2ccccn2)c1 ZINC000271164240 330077938 /nfs/dbraw/zinc/07/79/38/330077938.db2.gz YOPZRXJIJJHZBO-UHFFFAOYSA-N 0 3 280.371 3.116 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000572443844 330085432 /nfs/dbraw/zinc/08/54/32/330085432.db2.gz ICXXAEUHIFGFCB-IRXDYDNUSA-N 0 3 259.393 3.226 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccncc1Cl ZINC000421851435 330087785 /nfs/dbraw/zinc/08/77/85/330087785.db2.gz FTKAUYFTFALTCR-GDLCADMTSA-N 0 3 266.772 3.119 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cccc(F)c2C)nc(C)n1 ZINC000422114106 330127706 /nfs/dbraw/zinc/12/77/06/330127706.db2.gz ARIHXFNIILYZSM-ZDUSSCGKSA-N 0 3 283.306 3.031 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527904270 330289601 /nfs/dbraw/zinc/28/96/01/330289601.db2.gz KJVWBOBHSWDROW-KFWWJZLASA-N 0 3 281.758 3.400 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000424171426 330311718 /nfs/dbraw/zinc/31/17/18/330311718.db2.gz KSDQUBFZLILSCU-OSRDXIQISA-N 0 3 261.365 3.084 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(OC)cc1Cl ZINC000424292536 330335144 /nfs/dbraw/zinc/33/51/44/330335144.db2.gz VUJRWHOHJHYYRI-RYUDHWBXSA-N 0 3 283.799 3.184 20 30 CGEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424318696 330339890 /nfs/dbraw/zinc/33/98/90/330339890.db2.gz DGEWQWHHGROBIN-HZSPNIEDSA-N 0 3 258.365 3.347 20 30 CGEDHN Cc1c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000424321711 330340305 /nfs/dbraw/zinc/34/03/05/330340305.db2.gz HTYAFVXCUGWOAD-FRRDWIJNSA-N 0 3 273.336 3.246 20 30 CGEDHN Cc1c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1C(C)(C)C ZINC000424328514 330341836 /nfs/dbraw/zinc/34/18/36/330341836.db2.gz OEVIVRKVFZPXFN-KWCYVHTRSA-N 0 3 274.412 3.289 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000533300101 330356547 /nfs/dbraw/zinc/35/65/47/330356547.db2.gz CDLGFSVFSZHNOC-OAHLLOKOSA-N 0 3 286.419 3.252 20 30 CGEDHN CCc1nc2c(s1)[C@@H](NCC1(CC#N)CC1)CCC2 ZINC000430726811 330571453 /nfs/dbraw/zinc/57/14/53/330571453.db2.gz WDUWMXJAZCSFFX-NSHDSACASA-N 0 3 275.421 3.366 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1coc(-c2ccccc2)n1 ZINC000435743821 330661742 /nfs/dbraw/zinc/66/17/42/330661742.db2.gz UMYNTBATSIZBII-WBVHZDCISA-N 0 3 298.386 3.412 20 30 CGEDHN CCOCc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442705160 330779895 /nfs/dbraw/zinc/77/98/95/330779895.db2.gz AROLEIHTHKFQDQ-CJNGLKHVSA-N 0 3 258.365 3.005 20 30 CGEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442782102 330782687 /nfs/dbraw/zinc/78/26/87/330782687.db2.gz PLYKFFNHZHODPZ-SQWLQELKSA-N 0 3 299.418 3.453 20 30 CGEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000442832237 330785948 /nfs/dbraw/zinc/78/59/48/330785948.db2.gz YEWCRTFXTCRUGC-QCQGSNGOSA-N 0 3 276.355 3.184 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Cl)cc1 ZINC000449516450 330932888 /nfs/dbraw/zinc/93/28/88/330932888.db2.gz AZFFBKXQGPCHLI-HONMWMINSA-N 0 3 251.757 3.334 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000449694758 330944001 /nfs/dbraw/zinc/94/40/01/330944001.db2.gz CLYHEGHSFSTZTG-HNNXBMFYSA-N 0 3 271.360 3.363 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCC2)C12CCCCC2 ZINC000450846345 331002488 /nfs/dbraw/zinc/00/24/88/331002488.db2.gz MCGATHVFEJUFBJ-HUUCEWRRSA-N 0 3 276.424 3.398 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccccc1SC ZINC000451681745 331038932 /nfs/dbraw/zinc/03/89/32/331038932.db2.gz NFEAXPNAHJSAKB-KGLIPLIRSA-N 0 3 263.406 3.232 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453137107 331093034 /nfs/dbraw/zinc/09/30/34/331093034.db2.gz CIRGDAVMPKWUAY-OAHLLOKOSA-N 0 3 299.418 3.330 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000453338586 331118805 /nfs/dbraw/zinc/11/88/05/331118805.db2.gz BAGMYPBGLMEXHM-YUTCNCBUSA-N 0 3 287.359 3.436 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000453343162 331119634 /nfs/dbraw/zinc/11/96/34/331119634.db2.gz DVIIVOZTGLGFIF-XKQJLSEDSA-N 0 3 275.392 3.468 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1OCC ZINC000453360006 331122433 /nfs/dbraw/zinc/12/24/33/331122433.db2.gz PQOIIIWHJWTKIY-BMFZPTHFSA-N 0 3 275.392 3.470 20 30 CGEDHN CO[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C12CCC2 ZINC000459781171 331300615 /nfs/dbraw/zinc/30/06/15/331300615.db2.gz YKRSJCXKRUNFSB-HOTGVXAUSA-N 0 3 289.806 3.239 20 30 CGEDHN CC#CCCNCc1cc(Br)cs1 ZINC000165130487 331305923 /nfs/dbraw/zinc/30/59/23/331305923.db2.gz LKJKHQMYIUABSC-UHFFFAOYSA-N 0 3 258.184 3.014 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@](C)(CCC)C1 ZINC000464839246 331370766 /nfs/dbraw/zinc/37/07/66/331370766.db2.gz PGXTYOGEPHJRLT-WMZOPIPTSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484671370 331903884 /nfs/dbraw/zinc/90/38/84/331903884.db2.gz ROCDARPBZOHOLQ-UHFFFAOYSA-N 0 3 288.479 3.397 20 30 CGEDHN Cc1cccc([C@@H](NC(=O)C(C)C#N)C(C)(C)C)c1 ZINC000488872623 332030706 /nfs/dbraw/zinc/03/07/06/332030706.db2.gz SGMKQBRUNORPRF-GXTWGEPZSA-N 0 3 258.365 3.358 20 30 CGEDHN C=CC[C@H](C(=O)N(CCC)CCN(C)C)c1ccccc1 ZINC000489025370 332038268 /nfs/dbraw/zinc/03/82/68/332038268.db2.gz HMVRYVSLTWSDMM-KRWDZBQOSA-N 0 3 288.435 3.147 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(-n2cccn2)cc1 ZINC000489409035 332050574 /nfs/dbraw/zinc/05/05/74/332050574.db2.gz XBXHNMVOANITCY-MRXNPFEDSA-N 0 3 267.376 3.413 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1cccc(-n2cccn2)c1 ZINC000489437878 332052138 /nfs/dbraw/zinc/05/21/38/332052138.db2.gz WWGXADISKKFGCF-MRXNPFEDSA-N 0 3 267.376 3.413 20 30 CGEDHN C=C[C@@H]1CCCCN1CCCC(=O)OC(C)(C)C ZINC000489442262 332052537 /nfs/dbraw/zinc/05/25/37/332052537.db2.gz VXUQLPAODOMFED-CYBMUJFWSA-N 0 3 253.386 3.149 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(Cl)cc1 ZINC000489492174 332056530 /nfs/dbraw/zinc/05/65/30/332056530.db2.gz CZFKKAUMDCDVFV-CABCVRRESA-N 0 3 295.810 3.120 20 30 CGEDHN C=CCC(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000490104674 332081614 /nfs/dbraw/zinc/08/16/14/332081614.db2.gz UJLJYKDICNVFHG-MRXNPFEDSA-N 0 3 284.403 3.477 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(OCc2ccncc2)cc1 ZINC000491621156 332246594 /nfs/dbraw/zinc/24/65/94/332246594.db2.gz CVICTJYJKBROOS-OAHLLOKOSA-N 0 3 280.371 3.114 20 30 CGEDHN C#C[C@H](NC1CCC(OC)CC1)c1ccc(F)cc1 ZINC000491668634 332276254 /nfs/dbraw/zinc/27/62/54/332276254.db2.gz ZQNNWZOWVCRCCJ-GPANFISMSA-N 0 3 261.340 3.047 20 30 CGEDHN C#C[C@@H](NC1CCSCC1)c1ccc(Cl)cc1 ZINC000491706180 332299072 /nfs/dbraw/zinc/29/90/72/332299072.db2.gz JWTDAGIBLOAVSG-CQSZACIVSA-N 0 3 265.809 3.500 20 30 CGEDHN C#C[C@H](N[C@H](C)Cc1ccn(C(C)C)n1)C(C)(C)C ZINC000491709926 332302040 /nfs/dbraw/zinc/30/20/40/332302040.db2.gz QDWHOYKTSCQPDF-HIFRSBDPSA-N 0 3 261.413 3.033 20 30 CGEDHN C#C[C@@H](N[C@H](C)CCOC)c1ccc(Cl)cc1 ZINC000491752852 332328572 /nfs/dbraw/zinc/32/85/72/332328572.db2.gz NAHAWXNBCXKMKE-BXUZGUMPSA-N 0 3 251.757 3.029 20 30 CGEDHN C=CCN(CCN1CCC(C)CC1)Cc1cccs1 ZINC000493891365 332457729 /nfs/dbraw/zinc/45/77/29/332457729.db2.gz MENKEGFVHNHPFS-UHFFFAOYSA-N 0 3 278.465 3.468 20 30 CGEDHN C=C(C)CN1CCC(N2CCc3ccccc32)CC1 ZINC000503437494 332689720 /nfs/dbraw/zinc/68/97/20/332689720.db2.gz QAKNTLWQNDGJAF-UHFFFAOYSA-N 0 3 256.393 3.090 20 30 CGEDHN C=C(CC)CN[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000513121822 333005474 /nfs/dbraw/zinc/00/54/74/333005474.db2.gz JINHAZMQXBLLSL-MRXNPFEDSA-N 0 3 279.355 3.160 20 30 CGEDHN C=CCCC[C@H](C)N(CC)CC(=O)N1CCCCCC1 ZINC000513218407 333009282 /nfs/dbraw/zinc/00/92/82/333009282.db2.gz MDXNNLUYUNSZBE-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN CC(C)(O)CN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000192165844 333231429 /nfs/dbraw/zinc/23/14/29/333231429.db2.gz QFBQHSSWVBJTMI-UHFFFAOYSA-N 0 3 293.410 3.311 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NCC1CCCCC1 ZINC000523551877 333332882 /nfs/dbraw/zinc/33/28/82/333332882.db2.gz GYFYOEAQQOBDPF-UHFFFAOYSA-N 0 3 280.456 3.361 20 30 CGEDHN C=CC[C@H](CO)CNCc1cnc(C2CCCCC2)s1 ZINC000539224933 333662052 /nfs/dbraw/zinc/66/20/52/333662052.db2.gz KNTHQSZIGGBDQZ-ZDUSSCGKSA-N 0 3 294.464 3.465 20 30 CGEDHN C[C@@H](C#N)CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000237515236 334090206 /nfs/dbraw/zinc/09/02/06/334090206.db2.gz OMXDCXKFCYCCOP-ZDUSSCGKSA-N 0 3 291.826 3.054 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000079324130 334151513 /nfs/dbraw/zinc/15/15/13/334151513.db2.gz LEVHCRAJKVHGDZ-CVEARBPZSA-N 0 3 288.435 3.459 20 30 CGEDHN C=CCOCCN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000549536697 334196803 /nfs/dbraw/zinc/19/68/03/334196803.db2.gz VLPLQEFKUPCOMU-OAHLLOKOSA-N 0 3 269.335 3.454 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000549831483 334206052 /nfs/dbraw/zinc/20/60/52/334206052.db2.gz YKOLWSXQMFRFPU-NFAWXSAZSA-N 0 3 298.365 3.354 20 30 CGEDHN C=CCOc1ccc(CN2CCCO[C@@H](C(C)C)C2)cc1 ZINC000552159733 334297067 /nfs/dbraw/zinc/29/70/67/334297067.db2.gz DBJRIXZRLJUBEG-GOSISDBHSA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(C)(C)CC ZINC000564389093 334303482 /nfs/dbraw/zinc/30/34/82/334303482.db2.gz DIGNZVYCSZOINQ-CQSZACIVSA-N 0 3 268.445 3.358 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000248877849 334320434 /nfs/dbraw/zinc/32/04/34/334320434.db2.gz JWWHNDJOQMGUIT-OWCLPIDISA-N 0 3 287.407 3.088 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000091536446 334380095 /nfs/dbraw/zinc/38/00/95/334380095.db2.gz YEGNEPBGOYPAPF-LBPRGKRZSA-N 0 3 265.353 3.334 20 30 CGEDHN COc1cc(CN2CCC(CCC#N)CC2)cc(OC)c1 ZINC000573093585 334907635 /nfs/dbraw/zinc/90/76/35/334907635.db2.gz QLAIRLIOKBRKED-UHFFFAOYSA-N 0 3 288.391 3.220 20 30 CGEDHN CCCCO[C@H]1C[C@H](NCc2ccc(C#N)o2)C1(C)C ZINC000176985896 335351896 /nfs/dbraw/zinc/35/18/96/335351896.db2.gz VANFVACPHBXSCA-GJZGRUSLSA-N 0 3 276.380 3.225 20 30 CGEDHN CCOCc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177684453 335378833 /nfs/dbraw/zinc/37/88/33/335378833.db2.gz AJGRYFXIXXXKOJ-UHFFFAOYSA-N 0 3 286.400 3.446 20 30 CGEDHN CO[C@@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000177689144 335379084 /nfs/dbraw/zinc/37/90/84/335379084.db2.gz SDFKNUHNDZFGOF-HNNXBMFYSA-N 0 3 272.373 3.097 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000177708657 335380522 /nfs/dbraw/zinc/38/05/22/335380522.db2.gz BASSOBJVAGUBKQ-CABCVRRESA-N 0 3 286.404 3.090 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000180716670 335619585 /nfs/dbraw/zinc/61/95/85/335619585.db2.gz YJRRULUXXYGVTI-HNNXBMFYSA-N 0 3 293.455 3.071 20 30 CGEDHN N#Cc1ccccc1OCCN1CC[C@@H](c2ccccc2)C1 ZINC000387237032 336189225 /nfs/dbraw/zinc/18/92/25/336189225.db2.gz BMRDOFPEUUIMEJ-GOSISDBHSA-N 0 3 292.382 3.427 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000291641634 501031927 /nfs/dbraw/zinc/03/19/27/501031927.db2.gz BODOSKCJYOYCCY-INIZCTEOSA-N 0 3 295.361 3.066 20 30 CGEDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000358574050 533879652 /nfs/dbraw/zinc/87/96/52/533879652.db2.gz RLXJGPYLLPZEPC-BBRMVZONSA-N 0 3 298.361 3.124 20 30 CGEDHN C[C@H](N[C@H]1CCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000366213622 534003573 /nfs/dbraw/zinc/00/35/73/534003573.db2.gz KHDVXROYNJJJSI-YJBOKZPZSA-N 0 3 291.398 3.488 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC1CCCC1 ZINC000425534909 534081230 /nfs/dbraw/zinc/08/12/30/534081230.db2.gz MNAMYOKJYZZLMN-KSSFIOAISA-N 0 3 286.419 3.492 20 30 CGEDHN Cc1cc(C)n(CCN(C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425536456 534109150 /nfs/dbraw/zinc/10/91/50/534109150.db2.gz OPUMOFUJHQTVGK-HNNXBMFYSA-N 0 3 282.391 3.065 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1ccccc1C)C1CCCC1 ZINC000494813716 517334240 /nfs/dbraw/zinc/33/42/40/517334240.db2.gz QSDNHOQDLRIOMJ-SFHVURJKSA-N 0 3 286.419 3.118 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1ncccc1C#N)C(C)C ZINC000058648571 518772396 /nfs/dbraw/zinc/77/23/96/518772396.db2.gz ZQUNZSWLWAGGLJ-INIZCTEOSA-N 0 3 284.407 3.064 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2ccc(F)cc2C)o1 ZINC000184267364 519117607 /nfs/dbraw/zinc/11/76/07/519117607.db2.gz RGJYALWVKUVOIC-CQSZACIVSA-N 0 3 289.350 3.421 20 30 CGEDHN N#CCCCNCc1ccc(Cl)c2cccnc12 ZINC000344332261 534612533 /nfs/dbraw/zinc/61/25/33/534612533.db2.gz YRJFWRVEQFOVHQ-UHFFFAOYSA-N 0 3 259.740 3.282 20 30 CGEDHN C[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184585934 526257823 /nfs/dbraw/zinc/25/78/23/526257823.db2.gz VVCOLGVZPOGJTB-WFASDCNBSA-N 0 3 296.374 3.277 20 30 CGEDHN C=C(C)CCN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347313675 526442962 /nfs/dbraw/zinc/44/29/62/526442962.db2.gz GBEBWPHUPCDYPR-GJZGRUSLSA-N 0 3 277.433 3.453 20 30 CGEDHN C=C(C)CN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347380536 526569865 /nfs/dbraw/zinc/56/98/65/526569865.db2.gz SFNIWMXAURZKNB-ZIAGYGMSSA-N 0 3 263.406 3.063 20 30 CGEDHN C=C(C)CNCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000352852738 526624887 /nfs/dbraw/zinc/62/48/87/526624887.db2.gz HYGCZGPXPNTRQM-UHFFFAOYSA-N 0 3 275.783 3.500 20 30 CGEDHN C=CCOCCCN(C)Cc1cccc(Br)c1 ZINC000347961080 526747657 /nfs/dbraw/zinc/74/76/57/526747657.db2.gz GFKXULUWYVYTEU-UHFFFAOYSA-N 0 3 298.224 3.474 20 30 CGEDHN C=CCOCCCN1CC=C(c2cccc(OC)c2)CC1 ZINC000347960226 526750604 /nfs/dbraw/zinc/75/06/04/526750604.db2.gz FKIAYKSIXQOASG-UHFFFAOYSA-N 0 3 287.403 3.377 20 30 CGEDHN C=C(C)[C@H](N[C@H]1CN(C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480693048 526821634 /nfs/dbraw/zinc/82/16/34/526821634.db2.gz BMICZBUTZSYSHH-UVBJJODRSA-N 0 3 280.362 3.122 20 30 CGEDHN C=C(CC)CN(CC(=O)N1CCCCCC1)C(C)C ZINC000353202464 526850565 /nfs/dbraw/zinc/85/05/65/526850565.db2.gz JVNIKYJRMMZQPF-UHFFFAOYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351937866 527192337 /nfs/dbraw/zinc/19/23/37/527192337.db2.gz SFCRYKPHORLEOJ-UHFFFAOYSA-N 0 3 264.325 3.001 20 30 CGEDHN CC(C)[C@H]1C[C@@H](CNC(=O)C(C)C#N)c2ccccc21 ZINC000344716708 527867741 /nfs/dbraw/zinc/86/77/41/527867741.db2.gz NHFBLCXXVUKDDL-DVOMOZLQSA-N 0 3 270.376 3.189 20 30 CGEDHN CCCN(CC)Cc1ccc(C#N)cc1OC(F)F ZINC000437428652 528001242 /nfs/dbraw/zinc/00/12/42/528001242.db2.gz SWRYMKICOVLWKW-UHFFFAOYSA-N 0 3 268.307 3.392 20 30 CGEDHN CCCOc1ccc(CNCCCC#N)cc1OCC ZINC000344322110 528686047 /nfs/dbraw/zinc/68/60/47/528686047.db2.gz FLWQVWUAXZFTOK-UHFFFAOYSA-N 0 3 276.380 3.267 20 30 CGEDHN CCCC[C@H](NCc1nc(C#N)cs1)C1CCC1 ZINC000356304352 528993970 /nfs/dbraw/zinc/99/39/70/528993970.db2.gz XNVPMLHBZFAUIX-ZDUSSCGKSA-N 0 3 263.410 3.463 20 30 CGEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000351968535 529124157 /nfs/dbraw/zinc/12/41/57/529124157.db2.gz QZLWBVPKJSHDFY-DLBZAZTESA-N 0 3 284.403 3.142 20 30 CGEDHN CCSc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000347132779 529246214 /nfs/dbraw/zinc/24/62/14/529246214.db2.gz JZPYKBSKORBLBJ-WDEREUQCSA-N 0 3 262.378 3.135 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000354648925 529301330 /nfs/dbraw/zinc/30/13/30/529301330.db2.gz NNGRNNGBZYXIEA-KCQAQPDRSA-N 0 3 290.407 3.478 20 30 CGEDHN CCCCCCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000740874346 572463993 /nfs/dbraw/zinc/46/39/93/572463993.db2.gz CYJCHNKHXJPFCE-UHFFFAOYSA-N 0 3 286.423 3.046 20 30 CGEDHN CC#CCN1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000741781281 572526593 /nfs/dbraw/zinc/52/65/93/572526593.db2.gz RPRDVUHFDOYPNX-AWEZNQCLSA-N 0 3 263.768 3.207 20 30 CGEDHN CCCCCCCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000734264467 572641000 /nfs/dbraw/zinc/64/10/00/572641000.db2.gz WMQJAJOMEKEEBR-HNNXBMFYSA-N 0 3 295.471 3.273 20 30 CGEDHN CCC(CC)NN=C(C)c1cccc(N2CCOCC2)c1 ZINC000734364802 572649074 /nfs/dbraw/zinc/64/90/74/572649074.db2.gz GIALUEYSRIQSRH-UHFFFAOYSA-N 0 3 289.423 3.025 20 30 CGEDHN C=CC[N@@H+](CCCCCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418593 572719681 /nfs/dbraw/zinc/71/96/81/572719681.db2.gz FWRJSXCUFKRTLT-UHFFFAOYSA-N 0 3 299.422 3.435 20 30 CGEDHN C=CC[N@H+](CCCCCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418593 572719684 /nfs/dbraw/zinc/71/96/84/572719684.db2.gz FWRJSXCUFKRTLT-UHFFFAOYSA-N 0 3 299.422 3.435 20 30 CGEDHN C=CC[N@@H+](CCCCCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418593 572719687 /nfs/dbraw/zinc/71/96/87/572719687.db2.gz FWRJSXCUFKRTLT-UHFFFAOYSA-N 0 3 299.422 3.435 20 30 CGEDHN C=CC[N@H+](CCCCCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418593 572719689 /nfs/dbraw/zinc/71/96/89/572719689.db2.gz FWRJSXCUFKRTLT-UHFFFAOYSA-N 0 3 299.422 3.435 20 30 CGEDHN COc1ccc(CNCc2cc(C)c(C)cc2O)cc1C#N ZINC000746742107 572894044 /nfs/dbraw/zinc/89/40/44/572894044.db2.gz OYUKFFQUWHJMLR-UHFFFAOYSA-N 0 3 296.370 3.179 20 30 CGEDHN COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2[O-])cc1C#N ZINC000746742107 572894047 /nfs/dbraw/zinc/89/40/47/572894047.db2.gz OYUKFFQUWHJMLR-UHFFFAOYSA-N 0 3 296.370 3.179 20 30 CGEDHN CCC[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1[O-] ZINC000749513339 573014958 /nfs/dbraw/zinc/01/49/58/573014958.db2.gz BVIZKOUVBJSFEA-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CCC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1[O-] ZINC000749513339 573014964 /nfs/dbraw/zinc/01/49/64/573014964.db2.gz BVIZKOUVBJSFEA-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000750687938 573160542 /nfs/dbraw/zinc/16/05/42/573160542.db2.gz CKRUJYOUHKBJJD-JTQLQIEISA-N 0 3 254.289 3.194 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSC(F)F)nc21 ZINC000835173187 634380517 /nfs/dbraw/zinc/38/05/17/634380517.db2.gz OSHJRUCMKBIVMC-MRVPVSSYSA-N 0 3 295.314 3.003 20 30 CGEDHN C=C(CC)C[N@@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823878046 608309502 /nfs/dbraw/zinc/30/95/02/608309502.db2.gz NAAVIAISEPYWSQ-CYBMUJFWSA-N 0 3 285.395 3.216 20 30 CGEDHN C=C(CC)C[N@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823878046 608309505 /nfs/dbraw/zinc/30/95/05/608309505.db2.gz NAAVIAISEPYWSQ-CYBMUJFWSA-N 0 3 285.395 3.216 20 30 CGEDHN C=C(CC)C[N@@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823878046 608309506 /nfs/dbraw/zinc/30/95/06/608309506.db2.gz NAAVIAISEPYWSQ-CYBMUJFWSA-N 0 3 285.395 3.216 20 30 CGEDHN C=C(CC)C[N@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823878046 608309508 /nfs/dbraw/zinc/30/95/08/608309508.db2.gz NAAVIAISEPYWSQ-CYBMUJFWSA-N 0 3 285.395 3.216 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000969735527 613301807 /nfs/dbraw/zinc/30/18/07/613301807.db2.gz VENFLLNBSIBYAZ-JKSUJKDBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965859071 613323717 /nfs/dbraw/zinc/32/37/17/613323717.db2.gz GMKLSQHPZHRSNV-KGLIPLIRSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965859070 613332169 /nfs/dbraw/zinc/33/21/69/613332169.db2.gz GMKLSQHPZHRSNV-KBPBESRZSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975059953 613338097 /nfs/dbraw/zinc/33/80/97/613338097.db2.gz XYRXNCFKXVTHPD-BZUAXINKSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975004731 613341108 /nfs/dbraw/zinc/34/11/08/613341108.db2.gz HWQTZMFHNUJIIT-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCN(CC2CCC(C)CC2)CC1 ZINC000949666814 613433333 /nfs/dbraw/zinc/43/33/33/613433333.db2.gz FBMYMGSVLOMENG-UHFFFAOYSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000969832412 613475086 /nfs/dbraw/zinc/47/50/86/613475086.db2.gz UPECOTWPPAGFJO-ZBFHGGJFSA-N 0 3 292.448 3.041 20 30 CGEDHN C=CCCN1CCCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000981757503 613491675 /nfs/dbraw/zinc/49/16/75/613491675.db2.gz WVWIKTQEQWEFCI-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999881 613515897 /nfs/dbraw/zinc/51/58/97/613515897.db2.gz HYTWPEUCIRVEBU-KGLIPLIRSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC000972732202 613613423 /nfs/dbraw/zinc/61/34/23/613613423.db2.gz ISXUBKATXHJBQP-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000980483255 613620629 /nfs/dbraw/zinc/62/06/29/613620629.db2.gz LQRUZMFHJIDSLN-OAHLLOKOSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC000980514011 613634251 /nfs/dbraw/zinc/63/42/51/613634251.db2.gz CDWRTTLAFPPJAC-FUHWJXTLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1CCCCC1 ZINC000968718666 613685422 /nfs/dbraw/zinc/68/54/22/613685422.db2.gz AUPDXXSCFYVDHG-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccccc1C ZINC000968735785 613686716 /nfs/dbraw/zinc/68/67/16/613686716.db2.gz RFESBVQEZZMTNH-INIZCTEOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000940664932 613740680 /nfs/dbraw/zinc/74/06/80/613740680.db2.gz PIVZYAQKCMXIAE-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000940656280 613741235 /nfs/dbraw/zinc/74/12/35/613741235.db2.gz BLRNAOPRFVJGRO-CYBMUJFWSA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000940835807 613781393 /nfs/dbraw/zinc/78/13/93/613781393.db2.gz DMHGBCMNSGXZPS-CVEARBPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C[C@@H]1C ZINC000948078863 613791297 /nfs/dbraw/zinc/79/12/97/613791297.db2.gz PICJWNZVPNUQMC-KSSFIOAISA-N 0 3 298.430 3.333 20 30 CGEDHN C#CCCCCCCN[C@@H](c1ncccn1)C1CC1 ZINC000932352907 617683125 /nfs/dbraw/zinc/68/31/25/617683125.db2.gz VQGZQIHMSNBTBP-OAHLLOKOSA-N 0 3 257.381 3.101 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccccn2)c([O-])c1 ZINC000255301303 618182072 /nfs/dbraw/zinc/18/20/72/618182072.db2.gz DDIFKJKTIPMOHZ-PDGQHHTCSA-N 0 3 283.375 3.253 20 30 CGEDHN C#CCC1(NCC(=O)Nc2cccc3ccccc32)CCC1 ZINC000933298191 618193854 /nfs/dbraw/zinc/19/38/54/618193854.db2.gz DCIBOGPEIKPALV-UHFFFAOYSA-N 0 3 292.382 3.314 20 30 CGEDHN Cc1cc(C#N)nc(NC[C@H](c2ccsc2)N(C)C)c1 ZINC000891728556 618264371 /nfs/dbraw/zinc/26/43/71/618264371.db2.gz LYCSYAYMYXARFI-CQSZACIVSA-N 0 3 286.404 3.038 20 30 CGEDHN N#CCCOCCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933818917 618335189 /nfs/dbraw/zinc/33/51/89/618335189.db2.gz LEGSZYGJZJNAHB-UHFFFAOYSA-N 0 3 295.386 3.187 20 30 CGEDHN CC(C)(C#N)CCCCN1CCOC[C@]1(C)C1CC1 ZINC000934480291 618630631 /nfs/dbraw/zinc/63/06/31/618630631.db2.gz XGZCLFBXHDCXNW-MRXNPFEDSA-N 0 3 264.413 3.207 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC001022913829 618681238 /nfs/dbraw/zinc/68/12/38/618681238.db2.gz SQSMUTLFKHGWFU-CTASWTNQSA-N 0 3 298.858 3.048 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)C1(Br)CC1 ZINC000926550285 618734376 /nfs/dbraw/zinc/73/43/76/618734376.db2.gz LMPWSNVCRGNWCI-SECBINFHSA-N 0 3 297.171 3.103 20 30 CGEDHN CC[C@@H](C[C@](C)(O)CC)NCC1(C#N)CCCCC1 ZINC000926712847 618834312 /nfs/dbraw/zinc/83/43/12/618834312.db2.gz NTEUADYJTJOGFC-LSDHHAIUSA-N 0 3 266.429 3.380 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000072553271 625299293 /nfs/dbraw/zinc/29/92/93/625299293.db2.gz QUCOVOWSXGONJF-UHFFFAOYSA-N 0 3 287.359 3.200 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OC(F)(F)F)cc1 ZINC000229897176 618869968 /nfs/dbraw/zinc/86/99/68/618869968.db2.gz ZIUWYWBWLCWAEY-LLVKDONJSA-N 0 3 257.255 3.087 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000229892114 618870239 /nfs/dbraw/zinc/87/02/39/618870239.db2.gz HIRLQXPQCKWPTP-SNVBAGLBSA-N 0 3 259.246 3.346 20 30 CGEDHN Cc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000926797238 618896362 /nfs/dbraw/zinc/89/63/62/618896362.db2.gz RONXHGOBKJXARC-GFCCVEGCSA-N 0 3 275.352 3.321 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@]2(C)CCC[C@@H]2CC)C1 ZINC001020295043 618979078 /nfs/dbraw/zinc/97/90/78/618979078.db2.gz JWFCHKPRUBVQJY-YXWQFLTLSA-N 0 3 298.858 3.192 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H](c1ccccn1)C1CC1 ZINC000926895052 618984878 /nfs/dbraw/zinc/98/48/78/618984878.db2.gz SXJCPTRNVSRJQX-DOMZBBRYSA-N 0 3 257.381 3.451 20 30 CGEDHN C#C[C@H](N[C@@H](CC)c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775574279 619078088 /nfs/dbraw/zinc/07/80/88/619078088.db2.gz OVAYEYFESXFUDM-ULQDDVLXSA-N 0 3 257.377 3.217 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001006670501 619149893 /nfs/dbraw/zinc/14/98/93/619149893.db2.gz YEDQOJPGVXJZHY-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)Cc2c[nH]nc21 ZINC000931461458 619168913 /nfs/dbraw/zinc/16/89/13/619168913.db2.gz UAFUSSLEEWKNKB-GFCCVEGCSA-N 0 3 260.385 3.049 20 30 CGEDHN CN(CCCCC1(C#N)CCC1)[C@@H]1CCC[C@@H]1C#N ZINC000931473871 619179054 /nfs/dbraw/zinc/17/90/54/619179054.db2.gz BXHORUBICIUMHI-HUUCEWRRSA-N 0 3 259.397 3.475 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(OCC#N)cc1 ZINC000314525685 619230562 /nfs/dbraw/zinc/23/05/62/619230562.db2.gz YZBGBPWGFDVHNQ-CQSZACIVSA-N 0 3 291.354 3.311 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)C(F)(F)c2ccccc2)CC1 ZINC000924984413 619476434 /nfs/dbraw/zinc/47/64/34/619476434.db2.gz TVRNHVCWARPDJX-AWEZNQCLSA-N 0 3 294.389 3.407 20 30 CGEDHN C#C[C@H](NCc1c(C)nn(C(C)C)c1C)C(C)(C)C ZINC000894517136 619560867 /nfs/dbraw/zinc/56/08/67/619560867.db2.gz FMSIZQOSAKATIE-HNNXBMFYSA-N 0 3 261.413 3.218 20 30 CGEDHN Fc1ccccc1N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC000894591330 619580523 /nfs/dbraw/zinc/58/05/23/619580523.db2.gz SAHDSLAUSLSRRW-QGZVFWFLSA-N 0 3 294.373 3.046 20 30 CGEDHN CN1CCN(Cc2csc(C#N)c2)c2ccccc2C1 ZINC000894600534 619583718 /nfs/dbraw/zinc/58/37/18/619583718.db2.gz BTHRACBMWPSVKM-UHFFFAOYSA-N 0 3 283.400 3.072 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](c3cccnc3)C2)cs1 ZINC000895099139 619728292 /nfs/dbraw/zinc/72/82/92/619728292.db2.gz YIDQNBXHQCHGBM-CQSZACIVSA-N 0 3 269.373 3.004 20 30 CGEDHN C=CCC1([NH2+]Cc2cc([O-])cc(Cl)c2)CCOCC1 ZINC000895367169 619813729 /nfs/dbraw/zinc/81/37/29/619813729.db2.gz UTQWHCYFUNPHQL-UHFFFAOYSA-N 0 3 281.783 3.261 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](c3ccc(O)cc3)C2)cs1 ZINC000895667075 619868447 /nfs/dbraw/zinc/86/84/47/619868447.db2.gz YBLYPNGYMVNGPD-AWEZNQCLSA-N 0 3 284.384 3.315 20 30 CGEDHN CC(C)C[C@H](C)C=Nn1cnnc1-c1ccccc1 ZINC000799106406 620291202 /nfs/dbraw/zinc/29/12/02/620291202.db2.gz GCQYNTXMPMZNMF-ZDUSSCGKSA-N 0 3 256.353 3.461 20 30 CGEDHN Cc1ccc(NCCN[C@@H](C)c2ccc(C#N)cc2F)nc1 ZINC000927073841 620570957 /nfs/dbraw/zinc/57/09/57/620570957.db2.gz RXMLAVIRVDTCBH-ZDUSSCGKSA-N 0 3 298.365 3.164 20 30 CGEDHN CC[C@H](NCc1c(C)nn(C)c1C)c1cccc(C#N)c1 ZINC000902783149 621439043 /nfs/dbraw/zinc/43/90/43/621439043.db2.gz AFCKNIZNFHFFGV-KRWDZBQOSA-N 0 3 282.391 3.150 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C#N)ccn2)C12CCCC2 ZINC000902826393 621458788 /nfs/dbraw/zinc/45/87/88/621458788.db2.gz UPWVJLNWZCMJRW-RRQGHBQHSA-N 0 3 299.418 3.342 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000902960913 621506882 /nfs/dbraw/zinc/50/68/82/621506882.db2.gz ZWVYTZUTOLBYFH-LXZKKBNFSA-N 0 3 287.407 3.198 20 30 CGEDHN C=CCCCCCN[C@@H](C)c1cn(CCC)nn1 ZINC000903042455 621540210 /nfs/dbraw/zinc/54/02/10/621540210.db2.gz CTESAHBPDSTGIN-ZDUSSCGKSA-N 0 3 250.390 3.085 20 30 CGEDHN CC(C)(C#N)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903099956 621573095 /nfs/dbraw/zinc/57/30/95/621573095.db2.gz DLIWYCUREAIXNL-CQSZACIVSA-N 0 3 287.363 3.055 20 30 CGEDHN C[C@@H](NCC1(C#N)CCCC1)[C@H]1COc2ccccc2C1 ZINC000903108411 621581536 /nfs/dbraw/zinc/58/15/36/621581536.db2.gz BZURYBHUXPTLBZ-GDBMZVCRSA-N 0 3 284.403 3.300 20 30 CGEDHN C[C@H](NCC1(C#N)CCCC1)[C@H]1COc2ccccc2C1 ZINC000903108412 621581771 /nfs/dbraw/zinc/58/17/71/621581771.db2.gz BZURYBHUXPTLBZ-GOEBONIOSA-N 0 3 284.403 3.300 20 30 CGEDHN C=CCC[C@@H](NCC1(C#N)CCCC1)[C@H]1CCCO1 ZINC000903109935 621583732 /nfs/dbraw/zinc/58/37/32/621583732.db2.gz XMKJYHOMZCKMLZ-HUUCEWRRSA-N 0 3 262.397 3.174 20 30 CGEDHN N#CC1(CN[C@H]2CCOC23CCCC3)CCCCC1 ZINC000903200218 621624027 /nfs/dbraw/zinc/62/40/27/621624027.db2.gz MOSXVBULYFZROU-AWEZNQCLSA-N 0 3 262.397 3.152 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCCc3ccccc3C2)n1 ZINC000903262617 621648011 /nfs/dbraw/zinc/64/80/11/621648011.db2.gz FQGLVAYJCQFSKM-OAHLLOKOSA-N 0 3 297.427 3.442 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccco1 ZINC000903264222 621649172 /nfs/dbraw/zinc/64/91/72/621649172.db2.gz FUAQYSBYIYNHLO-LZWOXQAQSA-N 0 3 261.365 3.444 20 30 CGEDHN C=CCC[C@H](N[C@@H]1COC[C@@H]1C1CC1)c1ccco1 ZINC000903438599 621747108 /nfs/dbraw/zinc/74/71/08/621747108.db2.gz VTZHPILWASMOSJ-QLFBSQMISA-N 0 3 261.365 3.302 20 30 CGEDHN C=CCCC[C@@H](N)c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000904613476 621945813 /nfs/dbraw/zinc/94/58/13/621945813.db2.gz VAJZPSMGMKRISZ-GFCCVEGCSA-N 0 3 297.362 3.277 20 30 CGEDHN CC(C)COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905080870 622032376 /nfs/dbraw/zinc/03/23/76/622032376.db2.gz MSHSWEXICFUWBA-IYVNWDGISA-N 0 3 297.358 3.154 20 30 CGEDHN CCCc1ccc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905083885 622032958 /nfs/dbraw/zinc/03/29/58/622032958.db2.gz HAUHYNRKXCVKHI-SZJBZFAYSA-N 0 3 273.361 3.133 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000912067571 622591336 /nfs/dbraw/zinc/59/13/36/622591336.db2.gz HMPWORKTBJVANE-IAGOWNOFSA-N 0 3 286.419 3.206 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(SC)cc1 ZINC000912135503 622607871 /nfs/dbraw/zinc/60/78/71/622607871.db2.gz OCTNMVCFSKXIMO-CYBMUJFWSA-N 0 3 264.394 3.031 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000912229770 622621492 /nfs/dbraw/zinc/62/14/92/622621492.db2.gz NEPUMIVYTPGFHO-IAGOWNOFSA-N 0 3 286.419 3.342 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1OCCCC ZINC000912265805 622622762 /nfs/dbraw/zinc/62/27/62/622622762.db2.gz XYMVVXOMOHDIHA-CQSZACIVSA-N 0 3 290.407 3.488 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2oc(CC)nc2c1 ZINC000912448602 622658117 /nfs/dbraw/zinc/65/81/17/622658117.db2.gz DTURODNMUGWDEB-LBPRGKRZSA-N 0 3 287.363 3.012 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000164633154 622839483 /nfs/dbraw/zinc/83/94/83/622839483.db2.gz MBOABXFJNBOGNX-OLZOCXBDSA-N 0 3 257.805 3.456 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@@H]12 ZINC000992458619 623573690 /nfs/dbraw/zinc/57/36/90/623573690.db2.gz KSQOEZDYOPGEGJ-MJGOQNOKSA-N 0 3 298.430 3.216 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1OCCNCc1csc(C#N)c1 ZINC000921555667 625673422 /nfs/dbraw/zinc/67/34/22/625673422.db2.gz FTUCCGBQGOHWCB-DOMZBBRYSA-N 0 3 278.421 3.305 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992988089 623775102 /nfs/dbraw/zinc/77/51/02/623775102.db2.gz UYEKKKKLYBKKIR-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993143442 623867778 /nfs/dbraw/zinc/86/77/78/623867778.db2.gz SGGVHEOWKNSADQ-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993740476 624060568 /nfs/dbraw/zinc/06/05/68/624060568.db2.gz ITHFNSOYYYUBQO-DOTOQJQBSA-N 0 3 290.451 3.278 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC2(CCCC2)C1 ZINC000154141837 624208056 /nfs/dbraw/zinc/20/80/56/624208056.db2.gz RVGAAYNBSNKRKT-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN C#CCN(Cc1cccc(Br)c1)C(C)C ZINC000920090378 624445655 /nfs/dbraw/zinc/44/56/55/624445655.db2.gz NMFLRZPGURTDLJ-UHFFFAOYSA-N 0 3 266.182 3.293 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCCCO2)c([O-])c1 ZINC000920387282 624489824 /nfs/dbraw/zinc/48/98/24/624489824.db2.gz OLYWMZJOHAKEJC-JIHKLPAASA-N 0 3 290.407 3.226 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCCCCCO)c([O-])c1 ZINC000183384689 625069602 /nfs/dbraw/zinc/06/96/02/625069602.db2.gz OHJNKAAQQHLTPI-NBVRZTHBSA-N 0 3 292.423 3.210 20 30 CGEDHN C=CCN(CC=C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929260140 625964879 /nfs/dbraw/zinc/96/48/79/625964879.db2.gz UOBBTMAGINIKMY-VXGBXAGGSA-N 0 3 263.303 3.160 20 30 CGEDHN C=CCN(CC=C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929260132 625965030 /nfs/dbraw/zinc/96/50/30/625965030.db2.gz UOBBTMAGINIKMY-NEPJUHHUSA-N 0 3 263.303 3.160 20 30 CGEDHN C[C@@H](F)CCNCc1cc(C#N)ccc1Br ZINC000922146894 625972948 /nfs/dbraw/zinc/97/29/48/625972948.db2.gz FVJPKPFJPBIPAQ-SECBINFHSA-N 0 3 285.160 3.158 20 30 CGEDHN C#CCC1(NCc2cnc([C@H]3CCCO3)s2)CCC1 ZINC000922998074 626117197 /nfs/dbraw/zinc/11/71/97/626117197.db2.gz PQROUXIAIPVTGC-CYBMUJFWSA-N 0 3 276.405 3.030 20 30 CGEDHN C[C@@H]1CCC(=NNC2=N[C@@H]3CCCC[C@H]3N2)c2ccccc21 ZINC000753941023 626469263 /nfs/dbraw/zinc/46/92/63/626469263.db2.gz WAERDTBAZRNURO-CSMYWGQOSA-N 0 3 296.418 3.148 20 30 CGEDHN Cc1cccc(C[C@H](NCC2(C#N)CC2)C2CC2)c1 ZINC000754363528 626569480 /nfs/dbraw/zinc/56/94/80/626569480.db2.gz YQWDDHABGUGGEK-INIZCTEOSA-N 0 3 254.377 3.210 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1nc2ccccc2s1 ZINC000754710327 626583575 /nfs/dbraw/zinc/58/35/75/626583575.db2.gz IMHSUVXJASXOTH-VXGBXAGGSA-N 0 3 276.405 3.274 20 30 CGEDHN CC(=O)C(C)(C)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000755752446 626642488 /nfs/dbraw/zinc/64/24/88/626642488.db2.gz XINZAMNJFZEWSS-LBPRGKRZSA-N 0 3 298.342 3.399 20 30 CGEDHN C#CCSCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756742143 626729497 /nfs/dbraw/zinc/72/94/97/626729497.db2.gz ZQFAWSLTGFPLTE-PWSUYJOCSA-N 0 3 279.380 3.036 20 30 CGEDHN C=CCC[C@@H](C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000756762048 626730096 /nfs/dbraw/zinc/73/00/96/626730096.db2.gz WBKIPFHNJILJLQ-KGLIPLIRSA-N 0 3 270.380 3.273 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000839556131 626759685 /nfs/dbraw/zinc/75/96/85/626759685.db2.gz KGPMTUJJLWAYLB-WDMOLILDSA-N 0 3 251.757 3.282 20 30 CGEDHN CN1c2ccccc2C(C)(C)C1=CC=NNC1CC1 ZINC000758129868 626829404 /nfs/dbraw/zinc/82/94/04/626829404.db2.gz RKRKOFHSTQZENP-DUBOPECOSA-N 0 3 255.365 3.036 20 30 CGEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H]2c2ccccc2)cc1 ZINC000763414647 627157570 /nfs/dbraw/zinc/15/75/70/627157570.db2.gz XQLMZOWJJWDHQS-QZTJIDSGSA-N 0 3 278.355 3.039 20 30 CGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H](C2CC2)C1 ZINC000764484180 627209039 /nfs/dbraw/zinc/20/90/39/627209039.db2.gz ISGXFUKVMCMYJB-CYBMUJFWSA-N 0 3 290.794 3.474 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC000764599433 627214038 /nfs/dbraw/zinc/21/40/38/627214038.db2.gz OUOZSCBFIGRUEI-AWEZNQCLSA-N 0 3 275.392 3.404 20 30 CGEDHN C=CCN1CCC(Nc2nc(C)ccc2Cl)CC1 ZINC000765032272 627237594 /nfs/dbraw/zinc/23/75/94/627237594.db2.gz RZWAVALWPKTTAH-UHFFFAOYSA-N 0 3 265.788 3.106 20 30 CGEDHN C[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1C ZINC000766376309 627324338 /nfs/dbraw/zinc/32/43/38/627324338.db2.gz YQZMPCQVTCGXFX-HUUCEWRRSA-N 0 3 294.402 3.357 20 30 CGEDHN CCON=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000767464314 627410370 /nfs/dbraw/zinc/41/03/70/627410370.db2.gz OXAHEGQAQHNSKO-UHFFFAOYSA-N 0 3 290.407 3.442 20 30 CGEDHN C#CC[C@H](NCc1cccc2nccn21)c1ccccc1 ZINC000769692976 627572704 /nfs/dbraw/zinc/57/27/04/627572704.db2.gz WYEASFVRCQPJNS-KRWDZBQOSA-N 0 3 275.355 3.189 20 30 CGEDHN FC(F)(F)c1cccc(CCCC=Nn2cnnc2)c1 ZINC000769765472 627576794 /nfs/dbraw/zinc/57/67/94/627576794.db2.gz HULBVWVAIAEJQT-UHFFFAOYSA-N 0 3 282.269 3.154 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cc(Cl)nc2ccccc12 ZINC000769961014 627592684 /nfs/dbraw/zinc/59/26/84/627592684.db2.gz LASWMZNXUQZVBZ-LLVKDONJSA-N 0 3 258.752 3.342 20 30 CGEDHN C=C[C@@H](CC(=O)OCCN1CCCCC1)c1ccccc1 ZINC000770410561 627617576 /nfs/dbraw/zinc/61/75/76/627617576.db2.gz JTRVFDRSMOSAAO-INIZCTEOSA-N 0 3 287.403 3.375 20 30 CGEDHN C[C@H](C#N)CNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000771101321 627683183 /nfs/dbraw/zinc/68/31/83/627683183.db2.gz YCHZCTGBKOMRNN-OTSZLQBCSA-N 0 3 282.391 3.033 20 30 CGEDHN C=CC[C@@H](CO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000774828229 628035757 /nfs/dbraw/zinc/03/57/57/628035757.db2.gz SQAOWDRHOSMQQW-OAHLLOKOSA-N 0 3 297.398 3.333 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(CSC(F)F)o1 ZINC000774828011 628035938 /nfs/dbraw/zinc/03/59/38/628035938.db2.gz QAPKKMPOYOBBFX-JTQLQIEISA-N 0 3 291.363 3.010 20 30 CGEDHN C#CC[C@H](NCc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000775401603 628091510 /nfs/dbraw/zinc/09/15/10/628091510.db2.gz WIQYPASAXFFPSB-SFHVURJKSA-N 0 3 293.366 3.327 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000775571861 628109292 /nfs/dbraw/zinc/10/92/92/628109292.db2.gz LTCVBFQJYFTTSM-VHDGCEQUSA-N 0 3 289.444 3.458 20 30 CGEDHN C#C[C@@H](NCc1ccc(Br)s1)C(C)C ZINC000300992588 628234217 /nfs/dbraw/zinc/23/42/17/628234217.db2.gz VVCLAPZFSYVTBJ-SNVBAGLBSA-N 0 3 272.211 3.258 20 30 CGEDHN Cc1ccc2ncc(C=NNc3cc(Cl)ccn3)n2c1 ZINC000777906066 628310255 /nfs/dbraw/zinc/31/02/55/628310255.db2.gz RYNPFGAQEZCXSG-UHFFFAOYSA-N 0 3 285.738 3.137 20 30 CGEDHN N#Cc1cccc(C2([NH2+]Cc3cc(F)ccc3[O-])CC2)c1 ZINC000779102630 628388782 /nfs/dbraw/zinc/38/87/82/628388782.db2.gz KZHDTOKGOCIOLI-UHFFFAOYSA-N 0 3 282.318 3.182 20 30 CGEDHN Cc1nc(C)c(CN[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000785617559 628875175 /nfs/dbraw/zinc/87/51/75/628875175.db2.gz NGIGZEATUBZGKZ-OAHLLOKOSA-N 0 3 283.400 3.409 20 30 CGEDHN C=CCC[C@H](NCCOc1cccnc1)c1ccco1 ZINC000787767172 629028278 /nfs/dbraw/zinc/02/82/78/629028278.db2.gz YYLMXFUONTUTDW-HNNXBMFYSA-N 0 3 272.348 3.351 20 30 CGEDHN CC(=Nn1cnnc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788409937 629050151 /nfs/dbraw/zinc/05/01/51/629050151.db2.gz ZIWXYGYKLQSGHE-DTWKUNHWSA-N 0 3 266.757 3.021 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H]2CCc3ccccc32)n1 ZINC000789325307 629124180 /nfs/dbraw/zinc/12/41/80/629124180.db2.gz BWQAAXFOVUXLCI-QGZVFWFLSA-N 0 3 293.414 3.068 20 30 CGEDHN C#CCn1ccc(CN(CC)[C@@H](C)CCc2ccccc2)n1 ZINC000789325370 629124866 /nfs/dbraw/zinc/12/48/66/629124866.db2.gz DBGSRXIRVOZAMD-KRWDZBQOSA-N 0 3 295.430 3.360 20 30 CGEDHN C#CC[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000805893699 629141539 /nfs/dbraw/zinc/14/15/39/629141539.db2.gz SQVHLPHQIUXIDT-GOSISDBHSA-N 0 3 297.398 3.241 20 30 CGEDHN C=C[C@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805924004 629211752 /nfs/dbraw/zinc/21/17/52/629211752.db2.gz TUVDHEQZMWRTNV-AWEZNQCLSA-N 0 3 273.376 3.016 20 30 CGEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(OCC#N)cc1 ZINC000791579827 629290650 /nfs/dbraw/zinc/29/06/50/629290650.db2.gz SUVFUNYXVDTIBE-RISCZKNCSA-N 0 3 298.308 3.362 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(OC)cc2OC(F)F)C1 ZINC000862444463 629378138 /nfs/dbraw/zinc/37/81/38/629378138.db2.gz AQTSOGOUBLNMCF-GFCCVEGCSA-N 0 3 295.329 3.142 20 30 CGEDHN N#Cc1cc(-c2ccc(C[C@@H]3CCC[NH2+]3)cc2)ccc1[O-] ZINC000863713111 629655318 /nfs/dbraw/zinc/65/53/18/629655318.db2.gz ISBUDIDYDQODOL-KRWDZBQOSA-N 0 3 278.355 3.225 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCCOC1)c1ccc2ccccc2n1 ZINC000796630019 629807622 /nfs/dbraw/zinc/80/76/22/629807622.db2.gz TXBBKPRXTHIVCT-UKRRQHHQSA-N 0 3 294.354 3.228 20 30 CGEDHN C[C@@H]1C(=O)CC[C@@H]1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000796654850 629811425 /nfs/dbraw/zinc/81/14/25/629811425.db2.gz PHFCYJJGVKAOSJ-TUAOUCFPSA-N 0 3 296.326 3.009 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@H](C)O[C@@H]2C)c([O-])c1 ZINC000864347192 629816303 /nfs/dbraw/zinc/81/63/03/629816303.db2.gz LWVOSLPHIBLXNS-VVMUCXODSA-N 0 3 290.407 3.223 20 30 CGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000800384674 630270173 /nfs/dbraw/zinc/27/01/73/630270173.db2.gz HXXDQQPFDYRPGE-OCCSQVGLSA-N 0 3 272.348 3.160 20 30 CGEDHN CCCCCCCCN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000800456433 630280923 /nfs/dbraw/zinc/28/09/23/630280923.db2.gz FDMHZBNQRLHSBI-OAHLLOKOSA-N 0 3 289.485 3.246 20 30 CGEDHN C[C@H](C#N)OCCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000801921393 630366699 /nfs/dbraw/zinc/36/66/99/630366699.db2.gz BLLYVFGLOQEOIM-YCPHGPKFSA-N 0 3 290.432 3.094 20 30 CGEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2CCO[C@@H](C)C#N)o1 ZINC000801926009 630367641 /nfs/dbraw/zinc/36/76/41/630367641.db2.gz UATNBEADDGQLFM-SNPRPXQTSA-N 0 3 276.380 3.290 20 30 CGEDHN C[C@H](C#N)OCCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000801924008 630368158 /nfs/dbraw/zinc/36/81/58/630368158.db2.gz PTPBPRCFLACWHO-XJKCOSOUSA-N 0 3 276.355 3.137 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000809604245 630760165 /nfs/dbraw/zinc/76/01/65/630760165.db2.gz PUSQPJIVUPLFRA-CYBMUJFWSA-N 0 3 279.339 3.247 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000809618579 630762991 /nfs/dbraw/zinc/76/29/91/630762991.db2.gz KEQTWYSUZQNGQT-ZDUSSCGKSA-N 0 3 293.370 3.009 20 30 CGEDHN C#C[C@H](CC)NCc1ccccc1N1CCCCC1 ZINC000809685957 630781898 /nfs/dbraw/zinc/78/18/98/630781898.db2.gz CHDUSHUFZINOKZ-MRXNPFEDSA-N 0 3 256.393 3.178 20 30 CGEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)C[C@H]2C[C@H]2C1 ZINC000815915705 631834599 /nfs/dbraw/zinc/83/45/99/631834599.db2.gz XAGMRSLWJPBSHP-DRAKQNMHSA-N 0 3 280.327 3.440 20 30 CGEDHN Nc1ccc2c(c1)C(=NNC1CCCC1)CCCC2 ZINC000817325749 632121394 /nfs/dbraw/zinc/12/13/94/632121394.db2.gz FKMMZSJMMQQIEF-UHFFFAOYSA-N 0 3 257.381 3.232 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC12CC2)c1ccc2ccccc2n1 ZINC000817714330 632205139 /nfs/dbraw/zinc/20/51/39/632205139.db2.gz QAYFJTLBZLMWOY-STQMWFEESA-N 0 3 262.312 3.211 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1cccc(SC(F)(F)F)c1 ZINC000866391186 633118533 /nfs/dbraw/zinc/11/85/33/633118533.db2.gz CADRDUVNLMEIHD-MWLCHTKSSA-N 0 3 291.338 3.496 20 30 CGEDHN Cc1csc([C@@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000866615868 633215835 /nfs/dbraw/zinc/21/58/35/633215835.db2.gz JCJIXFHTNQXYFS-ABAIWWIYSA-N 0 3 283.400 3.141 20 30 CGEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ccncc1Cl ZINC000866617212 633216197 /nfs/dbraw/zinc/21/61/97/633216197.db2.gz ZJIZYROZWNMGPY-ABAIWWIYSA-N 0 3 297.789 3.425 20 30 CGEDHN Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)c([O-])c1 ZINC000866616753 633216514 /nfs/dbraw/zinc/21/65/14/633216514.db2.gz AWUYHDVVIKZNOE-GUYCJALGSA-N 0 3 292.382 3.390 20 30 CGEDHN C[C@@H](NCC[C@@H](O)C1CCCC1)c1ccc(C#N)cc1F ZINC000866637523 633225060 /nfs/dbraw/zinc/22/50/60/633225060.db2.gz ICIDACYGHOCKLI-SJKOYZFVSA-N 0 3 290.382 3.289 20 30 CGEDHN C#C[C@H](N[C@@H]1CCO[C@@H](CC)C1)c1ccc(F)cc1 ZINC000824423855 633243453 /nfs/dbraw/zinc/24/34/53/633243453.db2.gz VQELTDWMIXRJLS-PMPSAXMXSA-N 0 3 261.340 3.047 20 30 CGEDHN C#CC1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000826710391 633427823 /nfs/dbraw/zinc/42/78/23/633427823.db2.gz KLRGLCRJXWFHKN-UHFFFAOYSA-N 0 3 250.345 3.393 20 30 CGEDHN CN(C)c1ccc(/C=C/CN2CCC[C@@H](CC#N)C2)cc1 ZINC000826861330 633437943 /nfs/dbraw/zinc/43/79/43/633437943.db2.gz DWIREGWWKQEKEB-RCFWFJCLSA-N 0 3 283.419 3.391 20 30 CGEDHN CC(=O)Oc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000122773217 633508904 /nfs/dbraw/zinc/50/89/04/633508904.db2.gz MBDUYFRMMBHQEE-UHFFFAOYSA-N 0 3 294.354 3.116 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C)C(C)(C)CC2)CCCC1 ZINC000871157107 633712085 /nfs/dbraw/zinc/71/20/85/633712085.db2.gz HMXHKENTOLRLCI-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C#CC[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000829810064 633793083 /nfs/dbraw/zinc/79/30/83/633793083.db2.gz LJUILUGLDPHJLB-LRDDRELGSA-N 0 3 295.785 3.248 20 30 CGEDHN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@](O)(CC#N)C1 ZINC000829975792 633814760 /nfs/dbraw/zinc/81/47/60/633814760.db2.gz TXWJIBFSHBQPID-FZMZJTMJSA-N 0 3 298.308 3.117 20 30 CGEDHN C=CCCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068786 633991018 /nfs/dbraw/zinc/99/10/18/633991018.db2.gz ZQMVXEZRMVDHMM-SNVBAGLBSA-N 0 3 252.289 3.351 20 30 CGEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000872129492 634049898 /nfs/dbraw/zinc/04/98/98/634049898.db2.gz CIRTUQOTTOPFAL-UPJWGTAASA-N 0 3 273.336 3.328 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000876590891 634863345 /nfs/dbraw/zinc/86/33/45/634863345.db2.gz GEWANOWXFSONMZ-CQSZACIVSA-N 0 3 298.789 3.033 20 30 CGEDHN C#CCN(Cc1ccc(C(F)F)nc1)C1CCCC1 ZINC000876784511 634899576 /nfs/dbraw/zinc/89/95/76/634899576.db2.gz GJVAPUDOISMMRJ-UHFFFAOYSA-N 0 3 264.319 3.397 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000876976001 634942329 /nfs/dbraw/zinc/94/23/29/634942329.db2.gz KWNLRSHHOZCENE-GJZGRUSLSA-N 0 3 298.858 3.275 20 30 CGEDHN CC(C)N1CCCC[C@H]1COC(=O)c1cscc1C#N ZINC000837743736 634978672 /nfs/dbraw/zinc/97/86/72/634978672.db2.gz FSTMKYKAXCOFGK-ZDUSSCGKSA-N 0 3 292.404 3.039 20 30 CGEDHN C[C@]1(CNCc2cc(C#N)cnc2Cl)C[C@H]2C[C@H]2C1 ZINC000877658159 635135549 /nfs/dbraw/zinc/13/55/49/635135549.db2.gz VHQAZKUWUJKLJY-JYAVWHMHSA-N 0 3 275.783 3.132 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCC[C@@H]2C=CCC2)c1 ZINC000877807223 635210740 /nfs/dbraw/zinc/21/07/40/635210740.db2.gz WCIWVDLSUVOUNF-GFCCVEGCSA-N 0 3 275.783 3.443 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2n[nH]cc21 ZINC000841760271 635233374 /nfs/dbraw/zinc/23/33/74/635233374.db2.gz DNMXIKGCZMGOEN-DLBZAZTESA-N 0 3 292.386 3.326 20 30 CGEDHN C[C@H](NC[C@@H]1CC2(CCC2)CO1)c1ccc(C#N)cc1F ZINC000878407186 635491585 /nfs/dbraw/zinc/49/15/85/635491585.db2.gz NAHZXXLIDVYVQC-JSGCOSHPSA-N 0 3 288.366 3.307 20 30 CGEDHN C#CCCCCCN[C@H](COC)c1ccc(CC)o1 ZINC000878409792 635494680 /nfs/dbraw/zinc/49/46/80/635494680.db2.gz NXSZMOPTYRBYMZ-OAHLLOKOSA-N 0 3 263.381 3.313 20 30 CGEDHN C#CCCCCCN(C)Cc1cnc(C(C)C)nc1 ZINC000878553546 635554557 /nfs/dbraw/zinc/55/45/57/635554557.db2.gz NNSPCASLGTZRMN-UHFFFAOYSA-N 0 3 259.397 3.225 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2oc(-c3ccccc3)nc2C)C1 ZINC000878843934 635641217 /nfs/dbraw/zinc/64/12/17/635641217.db2.gz MXDHVOOOJZGBIS-OAHLLOKOSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CCCCN(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000878929590 635660749 /nfs/dbraw/zinc/66/07/49/635660749.db2.gz LCDSDOPPWJXZSH-UHFFFAOYSA-N 0 3 295.308 3.427 20 30 CGEDHN C=CCN(Cc1cccc(C(=O)OCC)n1)C(C)(C)C ZINC000878950330 635664074 /nfs/dbraw/zinc/66/40/74/635664074.db2.gz RFNLZVHVTJDVFZ-UHFFFAOYSA-N 0 3 276.380 3.045 20 30 CGEDHN C#CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000843426863 635671144 /nfs/dbraw/zinc/67/11/44/635671144.db2.gz MLPRCYLOCSNDJJ-UHFFFAOYSA-N 0 3 283.350 3.061 20 30 CGEDHN CC[C@H](N[C@@H](C)CCC#N)c1cccc(OC)c1OC ZINC000879465053 635792717 /nfs/dbraw/zinc/79/27/17/635792717.db2.gz ASWSQEGGXBCTLS-JSGCOSHPSA-N 0 3 276.380 3.437 20 30 CGEDHN CN(CCSC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371447 635883154 /nfs/dbraw/zinc/88/31/54/635883154.db2.gz OOEJQLKIDXXSEA-HNNXBMFYSA-N 0 3 292.448 3.055 20 30 CGEDHN C#Cc1cccc(CNCc2cccc3c2CCC3)c1 ZINC000845979013 636127171 /nfs/dbraw/zinc/12/71/71/636127171.db2.gz AJGBTIKDGCCXQK-UHFFFAOYSA-N 0 3 261.368 3.446 20 30 CGEDHN CC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000847024139 636315306 /nfs/dbraw/zinc/31/53/06/636315306.db2.gz IDMSXPQARVJBSX-MSOLQXFVSA-N 0 3 298.361 3.472 20 30 CGEDHN C=C(C)C(C)(C)C(=O)OC[C@H](C)N1CCCCC1 ZINC000847963622 636507161 /nfs/dbraw/zinc/50/71/61/636507161.db2.gz SCAONOOCCBOFAH-ZDUSSCGKSA-N 0 3 253.386 3.006 20 30 CGEDHN CSc1ccc(CN[C@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000883199323 636580703 /nfs/dbraw/zinc/58/07/03/636580703.db2.gz AUNNSYFZMKTYRG-AWEZNQCLSA-N 0 3 284.384 3.130 20 30 CGEDHN C=CCC[C@@H](NCc1ccc(Cl)cn1)[C@@H]1CCCO1 ZINC000883210598 636587887 /nfs/dbraw/zinc/58/78/87/636587887.db2.gz WJUINJFCBXIQAA-CABCVRRESA-N 0 3 280.799 3.338 20 30 CGEDHN C=CCCC[C@@H](N[C@H](CC)C(=O)NC)c1ccccc1 ZINC000883228771 636600214 /nfs/dbraw/zinc/60/02/14/636600214.db2.gz UDEBJLQPHRBWJJ-HZPDHXFCSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)n2ncnc21 ZINC000883235346 636604380 /nfs/dbraw/zinc/60/43/80/636604380.db2.gz ZXKSHZKXRHBVDD-UAGQMJEPSA-N 0 3 296.418 3.451 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000848923506 636694356 /nfs/dbraw/zinc/69/43/56/636694356.db2.gz FYAOOCXLFMNANA-CQSZACIVSA-N 0 3 297.377 3.071 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccccc2OCC=C)C1 ZINC000848924213 636695492 /nfs/dbraw/zinc/69/54/92/636695492.db2.gz XPFATZQJZGKMDA-HNNXBMFYSA-N 0 3 255.361 3.097 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](CC)c1cc(F)ccc1F ZINC000883389568 636733025 /nfs/dbraw/zinc/73/30/25/636733025.db2.gz UBEDNXCWDFPUBN-SWLSCSKDSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000883392325 636737176 /nfs/dbraw/zinc/73/71/76/636737176.db2.gz FNYGZJIEXNVMDH-DGCLKSJQSA-N 0 3 283.774 3.383 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(Cl)cc1OC ZINC000883392146 636737476 /nfs/dbraw/zinc/73/74/76/636737476.db2.gz AYYPWOFSTXEGFA-YPMHNXCESA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1c(Cl)ccc2cccnc21 ZINC000883400600 636741431 /nfs/dbraw/zinc/74/14/31/636741431.db2.gz QOROTRRMHKUTBR-ZDUSSCGKSA-N 0 3 290.794 3.305 20 30 CGEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc[nH]1 ZINC000850229094 636990821 /nfs/dbraw/zinc/99/08/21/636990821.db2.gz SMYPNNLHYWUUTI-ZDUSSCGKSA-N 0 3 265.360 3.421 20 30 CGEDHN CC(C)c1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000850948583 637196992 /nfs/dbraw/zinc/19/69/92/637196992.db2.gz UGDJCASOZYNROM-CQSZACIVSA-N 0 3 265.316 3.090 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(F)c1F ZINC000886114865 637421356 /nfs/dbraw/zinc/42/13/56/637421356.db2.gz ZDPDFAGRHHXSPL-VXGBXAGGSA-N 0 3 294.345 3.060 20 30 CGEDHN C=CCN(Cc1ccccc1F)[C@H]1CC[C@H](OC)C1 ZINC000851734552 637482621 /nfs/dbraw/zinc/48/26/21/637482621.db2.gz UORUTVBDPMVMLF-GJZGRUSLSA-N 0 3 263.356 3.381 20 30 CGEDHN C#CC[C@@H]1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000886356386 637510788 /nfs/dbraw/zinc/51/07/88/637510788.db2.gz YVOUYBXSIHLFAQ-HUUCEWRRSA-N 0 3 295.386 3.451 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000886366177 637515033 /nfs/dbraw/zinc/51/50/33/637515033.db2.gz YRZXKKCXUKNGPP-CQSZACIVSA-N 0 3 296.370 3.195 20 30 CGEDHN C#C[C@](C)(CC)NCc1cccc(C(=O)N2CCCCC2)c1 ZINC000852100420 637594518 /nfs/dbraw/zinc/59/45/18/637594518.db2.gz XLMLILKVPFLBQJ-LJQANCHMSA-N 0 3 298.430 3.204 20 30 CGEDHN C#C[C@](C)(CC)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000852101344 637595456 /nfs/dbraw/zinc/59/54/56/637595456.db2.gz PKHMHQFUUOWQKC-UONOGXRCSA-N 0 3 286.202 3.418 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ncccn2)C1 ZINC000886681069 637648412 /nfs/dbraw/zinc/64/84/12/637648412.db2.gz RKDKTPNJZOEPCQ-WMLDXEAASA-N 0 3 292.386 3.289 20 30 CGEDHN Clc1cc(N=NC2CCCN3CCCC[C@H]23)ccn1 ZINC000853397888 637835814 /nfs/dbraw/zinc/83/58/14/637835814.db2.gz XBDXJSBFBCIIFZ-CYBMUJFWSA-N 0 3 278.787 3.151 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000855436377 638197044 /nfs/dbraw/zinc/19/70/44/638197044.db2.gz ABPORNJELLIKKO-PBHICJAKSA-N 0 3 296.430 3.014 20 30 CGEDHN COc1nc(C)cc(C)c1CN[C@@H](C)CC(C)(C)C#N ZINC000924923400 638424326 /nfs/dbraw/zinc/42/43/26/638424326.db2.gz IVKCLNUTHIYYFZ-ZDUSSCGKSA-N 0 3 275.396 3.125 20 30 CGEDHN C=CCSCC[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000925354681 638496498 /nfs/dbraw/zinc/49/64/98/638496498.db2.gz XSZHPEDEUZCGDV-JTQLQIEISA-N 0 3 255.358 3.101 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000925696348 638571387 /nfs/dbraw/zinc/57/13/87/638571387.db2.gz KJEKGLPCAIXMGB-UONOGXRCSA-N 0 3 286.375 3.177 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2ccc(Cl)nc21 ZINC000857912605 638600636 /nfs/dbraw/zinc/60/06/36/638600636.db2.gz CSEKHWSTFBTYSW-AGIUHOORSA-N 0 3 278.783 3.046 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857915562 638602878 /nfs/dbraw/zinc/60/28/78/638602878.db2.gz HHSFIARYPAKULI-MVWJERBFSA-N 0 3 261.756 3.004 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1cc2c([nH]c1=O)CCCC2 ZINC000926815728 638815434 /nfs/dbraw/zinc/81/54/34/638815434.db2.gz IGLQIHUIUOEQFQ-LBPRGKRZSA-N 0 3 287.407 3.084 20 30 CGEDHN CN(Cc1cncc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000929129106 638900964 /nfs/dbraw/zinc/90/09/64/638900964.db2.gz HGRQVCTWLXDJKI-GOSISDBHSA-N 0 3 277.371 3.463 20 30 CGEDHN CCn1cc([C@H](C)NCc2c(C)cc(C#N)cc2C)cn1 ZINC000930657676 639047769 /nfs/dbraw/zinc/04/77/69/639047769.db2.gz UKDUPYXUKZLMNI-AWEZNQCLSA-N 0 3 282.391 3.242 20 30 CGEDHN CC[C@@H](CC#N)NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000930691832 639053148 /nfs/dbraw/zinc/05/31/48/639053148.db2.gz AISMCOHYJVQUEK-ZDUSSCGKSA-N 0 3 295.427 3.058 20 30 CGEDHN C[C@@H]1CN(Cc2cncc(C#N)c2)CCc2ccc(F)cc21 ZINC000930864754 639079456 /nfs/dbraw/zinc/07/94/56/639079456.db2.gz IZINSCWFZDXAOW-CYBMUJFWSA-N 0 3 295.361 3.254 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H](CC#N)C1 ZINC000930925524 639087461 /nfs/dbraw/zinc/08/74/61/639087461.db2.gz ZKACWILDVQTWDO-HNNXBMFYSA-N 0 3 267.376 3.301 20 30 CGEDHN C[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@H]1CCO ZINC000930971440 639093533 /nfs/dbraw/zinc/09/35/33/639093533.db2.gz QMODUGFUWLCZRO-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@@]1(C2CCCCC2)CCN1Cc1cncc(C#N)c1 ZINC000931572140 639172879 /nfs/dbraw/zinc/17/28/79/639172879.db2.gz XWKSVEDGQXXCPL-KRWDZBQOSA-N 0 3 269.392 3.498 20 30 CGEDHN C[C@H]1CC(F)(F)CCN1CCCOc1ccc(C#N)cc1 ZINC000859835319 639235184 /nfs/dbraw/zinc/23/51/84/639235184.db2.gz RSUBYVBXOFXMKP-ZDUSSCGKSA-N 0 3 294.345 3.447 20 30 CGEDHN C=CCOCCN[C@@H](c1ncccc1C)C(C)(C)C ZINC000934289348 639571744 /nfs/dbraw/zinc/57/17/44/639571744.db2.gz MQRUFVZZBMEFEW-HNNXBMFYSA-N 0 3 262.397 3.269 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934329630 639584060 /nfs/dbraw/zinc/58/40/60/639584060.db2.gz IHEUQMGGWSQHPZ-HNNXBMFYSA-N 0 3 283.400 3.079 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000934650533 639651122 /nfs/dbraw/zinc/65/11/22/639651122.db2.gz KPVZIZJBUKNPDM-AWEZNQCLSA-N 0 3 285.391 3.173 20 30 CGEDHN C=C(Br)CNCCSCc1ccccc1 ZINC000193907035 640501864 /nfs/dbraw/zinc/50/18/64/640501864.db2.gz WHOGRNYFZJNNEW-UHFFFAOYSA-N 0 3 286.238 3.418 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC001017316681 640744443 /nfs/dbraw/zinc/74/44/43/640744443.db2.gz LYAPHDIFNAKSMR-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015902458 640987909 /nfs/dbraw/zinc/98/79/09/640987909.db2.gz JNJKERUJSNVETA-ULQDDVLXSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001016181544 640994664 /nfs/dbraw/zinc/99/46/64/640994664.db2.gz UNNVJISZERFFPQ-AWEZNQCLSA-N 0 3 298.386 3.121 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001018024203 641019604 /nfs/dbraw/zinc/01/96/04/641019604.db2.gz PYSUNMOPQIZLBU-VQHPVUNQSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001018195531 641021079 /nfs/dbraw/zinc/02/10/79/641021079.db2.gz QIHUJSBPHIRMTH-NXHRZFHOSA-N 0 3 298.430 3.041 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001020246626 641044096 /nfs/dbraw/zinc/04/40/96/641044096.db2.gz BSWVIVMYHDGIPC-HDJSIYSDSA-N 0 3 298.858 3.336 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001157999397 805912371 /nfs/dbraw/zinc/91/23/71/805912371.db2.gz HZTDGIOYQUHFDL-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC12CC2 ZINC001158123808 805922394 /nfs/dbraw/zinc/92/23/94/805922394.db2.gz CQEKTSGTQPTUOH-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCN(CC2CC2)CC1 ZINC001252127562 806012390 /nfs/dbraw/zinc/01/23/90/806012390.db2.gz BRSAVWQJFIZVLF-SFHVURJKSA-N 0 3 296.499 3.126 20 30 CGEDHN CCCCCCCC[C@H](O)CNCC(=O)C(C)(C)C ZINC001252135537 806022101 /nfs/dbraw/zinc/02/21/01/806022101.db2.gz DVWILUNUELRJQF-AWEZNQCLSA-N 0 3 271.445 3.303 20 30 CGEDHN CN(Cc1ccc(NCc2ccc(C#N)s2)nc1)C1CC1 ZINC001159179819 806056581 /nfs/dbraw/zinc/05/65/81/806056581.db2.gz GGCXPIKKESHRQC-UHFFFAOYSA-N 0 3 298.415 3.221 20 30 CGEDHN C=C[C@@](C)(O)CNCc1ccc(Cl)cc1Cl ZINC001252570984 806073353 /nfs/dbraw/zinc/07/33/53/806073353.db2.gz CVYMRNIIEOSXKD-GFCCVEGCSA-N 0 3 260.164 3.020 20 30 CGEDHN C=C[C@](C)(O)CNCc1cc(-c2cccc(Cl)c2)no1 ZINC001252581373 806075545 /nfs/dbraw/zinc/07/55/45/806075545.db2.gz GPTFEIXYJUVADF-HNNXBMFYSA-N 0 3 292.766 3.022 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](c1ccncc1Cl)C1CC1 ZINC001252622426 806093958 /nfs/dbraw/zinc/09/39/58/806093958.db2.gz UPUUKZNYCZZJCG-WFASDCNBSA-N 0 3 280.799 3.103 20 30 CGEDHN N#Cc1ccc(-c2csc(N=C3CCCNC3)n2)s1 ZINC001159400502 806095392 /nfs/dbraw/zinc/09/53/92/806095392.db2.gz UUYXJFHEPMMVSX-UHFFFAOYSA-N 0 3 288.401 3.032 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cc(C)ccn1 ZINC001253227304 806184695 /nfs/dbraw/zinc/18/46/95/806184695.db2.gz GGCYCTDMFQGFDF-QGZVFWFLSA-N 0 3 276.424 3.367 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ccco1 ZINC001253229811 806185784 /nfs/dbraw/zinc/18/57/84/806185784.db2.gz QZTRWAHPPUFWGY-AWEZNQCLSA-N 0 3 251.370 3.257 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCC(=O)C(C)(C)C ZINC001253247265 806194280 /nfs/dbraw/zinc/19/42/80/806194280.db2.gz HSKQXDOLKDLBGK-AWEZNQCLSA-N 0 3 269.429 3.079 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ccc(F)cn1 ZINC001253250972 806196410 /nfs/dbraw/zinc/19/64/10/806196410.db2.gz GPTIZOUNLXWBFH-MRXNPFEDSA-N 0 3 280.387 3.198 20 30 CGEDHN C=C[C@@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC001253579188 806264018 /nfs/dbraw/zinc/26/40/18/806264018.db2.gz NLXABFVAYLCYAF-RISCZKNCSA-N 0 3 251.757 3.024 20 30 CGEDHN C=C[C@@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC001253600096 806271076 /nfs/dbraw/zinc/27/10/76/806271076.db2.gz XJUVRLUGCAHRBA-PSASIEDQSA-N 0 3 260.164 3.191 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001160689816 806295790 /nfs/dbraw/zinc/29/57/90/806295790.db2.gz SOORHTFETZNMTR-DLBZAZTESA-N 0 3 286.419 3.294 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1ncc2scc(C)c2n1 ZINC001160953886 806328396 /nfs/dbraw/zinc/32/83/96/806328396.db2.gz LDAWMFGVPSLKKT-LBPRGKRZSA-N 0 3 288.420 3.062 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001161125789 806350335 /nfs/dbraw/zinc/35/03/35/806350335.db2.gz AUQOGMHYJDOHQW-IAGOWNOFSA-N 0 3 290.451 3.137 20 30 CGEDHN Cc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)C2CC2)nc1 ZINC001254656382 806477195 /nfs/dbraw/zinc/47/71/95/806477195.db2.gz JMBKFCLZTBICAZ-IVMMDQJWSA-N 0 3 255.365 3.123 20 30 CGEDHN N#Cc1ccccc1OC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254667229 806479655 /nfs/dbraw/zinc/47/96/55/806479655.db2.gz AERPOBVRRMWAAV-HOCLYGCPSA-N 0 3 295.386 3.094 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](Sc3ccncc3)C2)C1 ZINC001254669912 806480229 /nfs/dbraw/zinc/48/02/29/806480229.db2.gz WUVPRNHTBBGAHK-YCPHGPKFSA-N 0 3 287.432 3.330 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001162150490 806515924 /nfs/dbraw/zinc/51/59/24/806515924.db2.gz PAMSWHUQLSQYDB-UONOGXRCSA-N 0 3 298.858 3.073 20 30 CGEDHN CC[C@H](CC#N)NCCc1ccc(OC(F)(F)F)cc1 ZINC001255156141 806556759 /nfs/dbraw/zinc/55/67/59/806556759.db2.gz XHFGSFHWEYHIDV-GFCCVEGCSA-N 0 3 286.297 3.410 20 30 CGEDHN CC[C@@H](CC#N)NC1(Cc2cccc(OC)c2)CCC1 ZINC001255162153 806561118 /nfs/dbraw/zinc/56/11/18/806561118.db2.gz IYXOKCNELCITDZ-HNNXBMFYSA-N 0 3 272.392 3.442 20 30 CGEDHN C[C@H](N)c1nc2ccccc2n1-c1ccc(CS)cc1 ZINC001162777092 806663464 /nfs/dbraw/zinc/66/34/64/806663464.db2.gz KPXUZSKPZCREIO-NSHDSACASA-N 0 3 283.400 3.475 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000037748479 798873207 /nfs/dbraw/zinc/87/32/07/798873207.db2.gz DIRAFCBOXHVYIC-CYBMUJFWSA-N 0 3 278.355 3.344 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=Cc1ccco1 ZINC000122632774 798991675 /nfs/dbraw/zinc/99/16/75/798991675.db2.gz GDGJJOKQVVSWEA-XEHSLEBBSA-N 0 3 291.310 3.056 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccsc2)c1 ZINC000127581608 799013575 /nfs/dbraw/zinc/01/35/75/799013575.db2.gz VQBHYHNCPLMKEE-ZDUSSCGKSA-N 0 3 284.340 3.018 20 30 CGEDHN CC(C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128765328 799019458 /nfs/dbraw/zinc/01/94/58/799019458.db2.gz XWCPMALUNUKEAW-AWEZNQCLSA-N 0 3 280.327 3.143 20 30 CGEDHN C=CCc1cc(C)cnc1N[C@H]1CNCc2ccsc21 ZINC001163220833 806726907 /nfs/dbraw/zinc/72/69/07/806726907.db2.gz HXOVIBFXCKZNAH-AWEZNQCLSA-N 0 3 285.416 3.436 20 30 CGEDHN C#C[C@](C)(CC)NCc1ccc(OC(F)F)cc1 ZINC000384155394 799412537 /nfs/dbraw/zinc/41/25/37/799412537.db2.gz IFTQOBMLAYWGDY-CQSZACIVSA-N 0 3 253.292 3.180 20 30 CGEDHN C[C@H]1CC[C@@H](NCc2cc(C#N)ccc2F)CS1 ZINC000689615456 799766073 /nfs/dbraw/zinc/76/60/73/799766073.db2.gz QKYUZAOKKPZFSE-GXFFZTMASA-N 0 3 264.369 3.071 20 30 CGEDHN C#CCSCCNCc1csc(C(F)(F)F)c1 ZINC000703373568 799923099 /nfs/dbraw/zinc/92/30/99/799923099.db2.gz BIKWPBMMOHNEQH-UHFFFAOYSA-N 0 3 279.352 3.223 20 30 CGEDHN CS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000708302695 799985062 /nfs/dbraw/zinc/98/50/62/799985062.db2.gz OSJYMCOADMPQPH-KGLIPLIRSA-N 0 3 278.396 3.413 20 30 CGEDHN C[C@H](CNc1nc(Cl)c(C#N)s1)N1CCCC[C@@H]1C ZINC000804349128 800397105 /nfs/dbraw/zinc/39/71/05/800397105.db2.gz JAKMGOWLIXDUHA-VHSXEESVSA-N 0 3 298.843 3.343 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000809549343 800445362 /nfs/dbraw/zinc/44/53/62/800445362.db2.gz VRQZDFKIZNRTMC-UHFFFAOYSA-N 0 3 293.366 3.087 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001023142271 800705026 /nfs/dbraw/zinc/70/50/26/800705026.db2.gz KUQASTYPJGHBCG-MCIONIFRSA-N 0 3 298.858 3.192 20 30 CGEDHN CCC[C@H](C)CC[C@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001257478072 807176267 /nfs/dbraw/zinc/17/62/67/807176267.db2.gz QAOJWVXTEOJUIO-XUXIUFHCSA-N 0 3 272.433 3.101 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917410 800825274 /nfs/dbraw/zinc/82/52/74/800825274.db2.gz ALTMKIZMRAWNTN-HNNXBMFYSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cscc1Cl ZINC001027950597 800826504 /nfs/dbraw/zinc/82/65/04/800826504.db2.gz DJWNXQIQXXQKPM-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001028114162 800832363 /nfs/dbraw/zinc/83/23/63/800832363.db2.gz CGTHQFFFEPUJQO-AWEZNQCLSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001028195978 800836237 /nfs/dbraw/zinc/83/62/37/800836237.db2.gz ZNYFEUYUDXXYRT-SFHVURJKSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CCc1ccccc1-n1nc(CN)cc1C ZINC001163985485 806869874 /nfs/dbraw/zinc/86/98/74/806869874.db2.gz UCRUTWISEGDUDS-UHFFFAOYSA-N 0 3 255.365 3.148 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1C ZINC001032763269 800936732 /nfs/dbraw/zinc/93/67/32/800936732.db2.gz QZKMDHYBZUHKBF-IRXDYDNUSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033181217 800953905 /nfs/dbraw/zinc/95/39/05/800953905.db2.gz GVRLFNFVIYKGFL-DLBZAZTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033459137 800965448 /nfs/dbraw/zinc/96/54/48/800965448.db2.gz ZLNREFPOVTTWLN-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016294 800992918 /nfs/dbraw/zinc/99/29/18/800992918.db2.gz HHQGCXIVIZTVJU-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CC(=C)C)C2)cc1 ZINC001033962287 800993738 /nfs/dbraw/zinc/99/37/38/800993738.db2.gz UQUWBTSTVXGYCK-GOSISDBHSA-N 0 3 298.430 3.442 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034158334 801007738 /nfs/dbraw/zinc/00/77/38/801007738.db2.gz ZWFTUGXZGNQUJR-AWEZNQCLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001034205310 801010415 /nfs/dbraw/zinc/01/04/15/801010415.db2.gz VGHYPGOJDGHCCA-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034271961 801015332 /nfs/dbraw/zinc/01/53/32/801015332.db2.gz DDZWXNCMBHQIPB-CQSZACIVSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001038287290 801122362 /nfs/dbraw/zinc/12/23/62/801122362.db2.gz KOZMESYZENUMOP-IAGOWNOFSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001038965058 801138471 /nfs/dbraw/zinc/13/84/71/801138471.db2.gz VVSACQCUJFCERE-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001038965053 801138872 /nfs/dbraw/zinc/13/88/72/801138872.db2.gz VVSACQCUJFCERE-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC ZINC001039820353 801167160 /nfs/dbraw/zinc/16/71/60/801167160.db2.gz FEDDEHCURUECLW-GASCZTMLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C(CC)(CC)CC)C[C@H]21 ZINC001042290532 801204011 /nfs/dbraw/zinc/20/40/11/801204011.db2.gz PVTGHBYFQYDMGL-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001045485590 801275823 /nfs/dbraw/zinc/27/58/23/801275823.db2.gz GLVKMXZSIOPSNR-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001046492424 801311447 /nfs/dbraw/zinc/31/14/47/801311447.db2.gz KSDMUGDJAVABAS-KRWDZBQOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001046818454 801328798 /nfs/dbraw/zinc/32/87/98/801328798.db2.gz SIQCHYMWOMBDMY-SFHVURJKSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)(C)C ZINC001049637513 801380168 /nfs/dbraw/zinc/38/01/68/801380168.db2.gz HIGOTKIDWMSHLP-GJZGRUSLSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC1(C)C ZINC001049659922 801382561 /nfs/dbraw/zinc/38/25/61/801382561.db2.gz VBHWICKJLRZBKM-HRCADAONSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC1(C)C ZINC001049659921 801383180 /nfs/dbraw/zinc/38/31/80/801383180.db2.gz VBHWICKJLRZBKM-BZUAXINKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC ZINC001049671430 801384229 /nfs/dbraw/zinc/38/42/29/801384229.db2.gz LHOLNKGHYRNOOY-ROUUACIJSA-N 0 3 298.430 3.114 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373648 801532251 /nfs/dbraw/zinc/53/22/51/801532251.db2.gz MLXYXLDEFILOQX-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2csc(C)c2)CC[C@H]1C ZINC001071898171 801556579 /nfs/dbraw/zinc/55/65/79/801556579.db2.gz WWWJGXNDWXMHQK-DOMZBBRYSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2csc(C)c2)CC[C@@H]1C ZINC001071898173 801557361 /nfs/dbraw/zinc/55/73/61/801557361.db2.gz WWWJGXNDWXMHQK-SWLSCSKDSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001080780886 801653992 /nfs/dbraw/zinc/65/39/92/801653992.db2.gz GGTQSINKARLIIO-OWCLPIDISA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC1CCCC1 ZINC001085122134 801677919 /nfs/dbraw/zinc/67/79/19/801677919.db2.gz OABYCRRMELWVMC-HUUCEWRRSA-N 0 3 298.858 3.336 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085568941 801693377 /nfs/dbraw/zinc/69/33/77/801693377.db2.gz WAEOSEBPLFJGTP-LBPRGKRZSA-N 0 3 296.798 3.046 20 30 CGEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CC[C@@H](C)F)CC1 ZINC001085800763 801705874 /nfs/dbraw/zinc/70/58/74/801705874.db2.gz BGSDMACCOIQAJD-ZBFHGGJFSA-N 0 3 296.430 3.014 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085807321 801707008 /nfs/dbraw/zinc/70/70/08/801707008.db2.gz DSINDPBMTXJIKF-JZXOWHBKSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1CC ZINC001087809219 801769243 /nfs/dbraw/zinc/76/92/43/801769243.db2.gz GEEZSRCFRKMOQS-DLBZAZTESA-N 0 3 286.419 3.072 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001089683642 801848585 /nfs/dbraw/zinc/84/85/85/801848585.db2.gz BZETZIQVAFVENI-LSDHHAIUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C=CCCC1)C2 ZINC001097318263 801898995 /nfs/dbraw/zinc/89/89/95/801898995.db2.gz NNCURWJZCWZSRP-VQHPVUNQSA-N 0 3 288.435 3.030 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001099251163 801933995 /nfs/dbraw/zinc/93/39/95/801933995.db2.gz GZZPQAOZLXKZGI-HUUCEWRRSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107319899 802085116 /nfs/dbraw/zinc/08/51/16/802085116.db2.gz VANMTTJZUJRSLM-CYEDMXMGSA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109657155 802120773 /nfs/dbraw/zinc/12/07/73/802120773.db2.gz BIVDLPDIVYVWDG-PMPSAXMXSA-N 0 3 276.424 3.030 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)CC1 ZINC001110988155 802152359 /nfs/dbraw/zinc/15/23/59/802152359.db2.gz RWCTXQHSEPSACG-OAGGEKHMSA-N 0 3 288.435 3.030 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](C)CCC)CC1 ZINC001112686084 802184559 /nfs/dbraw/zinc/18/45/59/802184559.db2.gz OQWWLLXPYNWSQF-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CCC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001112902725 802194973 /nfs/dbraw/zinc/19/49/73/802194973.db2.gz VVUCTYVLIYGGLN-INIZCTEOSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001112895996 802195954 /nfs/dbraw/zinc/19/59/54/802195954.db2.gz APBSUAYOEFLCAI-INIZCTEOSA-N 0 3 294.483 3.415 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113246644 802209649 /nfs/dbraw/zinc/20/96/49/802209649.db2.gz QFDNGWUBFHQMHJ-IRXDYDNUSA-N 0 3 294.483 3.415 20 30 CGEDHN C#CC[C@H](NCc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC001116387896 802340246 /nfs/dbraw/zinc/34/02/46/802340246.db2.gz QHIACHBMBLYKAP-RXVVDRJESA-N 0 3 297.423 3.278 20 30 CGEDHN C#CCN(Cc1cc2cc(OC)ccc2o1)CC1CC1 ZINC001116450301 802354562 /nfs/dbraw/zinc/35/45/62/802354562.db2.gz ZEQLQVCOJVUQBW-UHFFFAOYSA-N 0 3 269.344 3.287 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2CCCCCC2)C1 ZINC001270942487 808755645 /nfs/dbraw/zinc/75/56/45/808755645.db2.gz YZLDVHIKEPFGDT-GOSISDBHSA-N 0 3 292.467 3.361 20 30 CGEDHN C#C[C@@H](CC)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC001120595777 802751872 /nfs/dbraw/zinc/75/18/72/802751872.db2.gz JSISJBYGQLCKJP-GXFFZTMASA-N 0 3 272.175 3.028 20 30 CGEDHN C#Cc1ccc(NC[C@@H](c2ccc(C)o2)N2CCCC2)nc1 ZINC001120892241 802791810 /nfs/dbraw/zinc/79/18/10/802791810.db2.gz DBKFCNWPWUPECE-INIZCTEOSA-N 0 3 295.386 3.213 20 30 CGEDHN C#Cc1ccc(NC[C@H](c2ccc(C)o2)N2CCCC2)nc1 ZINC001120892242 802791869 /nfs/dbraw/zinc/79/18/69/802791869.db2.gz DBKFCNWPWUPECE-MRXNPFEDSA-N 0 3 295.386 3.213 20 30 CGEDHN Cc1cccc(NCC2CN(Cc3ccccc3)C2)c1C#N ZINC001165455217 807004482 /nfs/dbraw/zinc/00/44/82/807004482.db2.gz WBCYTFBMVYVBDS-UHFFFAOYSA-N 0 3 291.398 3.411 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NC1CCC(OC)CC1 ZINC001122162343 802862480 /nfs/dbraw/zinc/86/24/80/802862480.db2.gz ROTZESQOVFDEIQ-GPANFISMSA-N 0 3 298.471 3.138 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001123336526 802930010 /nfs/dbraw/zinc/93/00/10/802930010.db2.gz IGELDMQWBJPLMQ-DOMZBBRYSA-N 0 3 299.349 3.097 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccco1 ZINC001123475301 802947520 /nfs/dbraw/zinc/94/75/20/802947520.db2.gz FFRUIDNCBWLXQB-MWLCHTKSSA-N 0 3 290.269 3.323 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)(C)CC)CC[C@@H]1C ZINC001132054916 803369760 /nfs/dbraw/zinc/36/97/60/803369760.db2.gz UWWYPKYHTWFKEA-LSDHHAIUSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001132071477 803371790 /nfs/dbraw/zinc/37/17/90/803371790.db2.gz BDFAIMFAKSOFNA-CVEARBPZSA-N 0 3 278.440 3.278 20 30 CGEDHN C#CCOc1ccc(CN2CCC(C)(F)CC2)cc1OC ZINC001138344107 803898632 /nfs/dbraw/zinc/89/86/32/803898632.db2.gz XLMQBYBMXUKZBI-UHFFFAOYSA-N 0 3 291.366 3.031 20 30 CGEDHN C#CC1CCN(Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138953432 804082812 /nfs/dbraw/zinc/08/28/12/804082812.db2.gz WXAAHAAANRSHHS-UHFFFAOYSA-N 0 3 273.767 3.013 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@]12CCOC2 ZINC001139030313 804114992 /nfs/dbraw/zinc/11/49/92/804114992.db2.gz JAXKOYMVRAKQNR-QGZVFWFLSA-N 0 3 273.376 3.006 20 30 CGEDHN Cc1ccc(CN(C)CCOc2ccccc2)cc1C#N ZINC001139724318 804267252 /nfs/dbraw/zinc/26/72/52/804267252.db2.gz OCNDZKKDZOXRGW-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H]4OCCC[C@@H]4C3)c2c1 ZINC001140112472 804381031 /nfs/dbraw/zinc/38/10/31/804381031.db2.gz VJZCPGOPAVHUEI-RDTXWAMCSA-N 0 3 295.386 3.040 20 30 CGEDHN Cc1ccc(F)cc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140595024 804470982 /nfs/dbraw/zinc/47/09/82/804470982.db2.gz YHRUSYMQHNGRRN-DVSIDAKKSA-N 0 3 258.340 3.401 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(C(F)(F)F)nc2C)C1 ZINC001141433113 804641592 /nfs/dbraw/zinc/64/15/92/804641592.db2.gz ZKMPAZUKGHJYJU-LBPRGKRZSA-N 0 3 282.309 3.254 20 30 CGEDHN C#Cc1ccc(CN2CCC(CC)(C(=O)OCC)CC2)cc1 ZINC001144578616 805008508 /nfs/dbraw/zinc/00/85/08/805008508.db2.gz IACSCGFTQPCGET-UHFFFAOYSA-N 0 3 299.414 3.223 20 30 CGEDHN C=CCCCCN(C)Cc1cnn2ccc(Cl)nc12 ZINC001248881026 805031989 /nfs/dbraw/zinc/03/19/89/805031989.db2.gz SMHLGOANASMHFM-UHFFFAOYSA-N 0 3 278.787 3.171 20 30 CGEDHN Cc1ccc(C#N)cc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249557831 805175595 /nfs/dbraw/zinc/17/55/95/805175595.db2.gz BHOPRGLYCLFMKJ-QGZVFWFLSA-N 0 3 297.402 3.047 20 30 CGEDHN Cc1cccc(NC2=CC[C@H](N3CCOCC3)CC2)c1C#N ZINC001249557447 805175724 /nfs/dbraw/zinc/17/57/24/805175724.db2.gz YOVHRYYUKWVUSD-INIZCTEOSA-N 0 3 297.402 3.047 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](CC)CCCCC)C2)C1 ZINC001148803951 805210892 /nfs/dbraw/zinc/21/08/92/805210892.db2.gz MCSVXBZSKQYFQK-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OC)cc1OCC ZINC001250063140 805398799 /nfs/dbraw/zinc/39/87/99/805398799.db2.gz SHBQFAGVXGIDIE-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCC[C@H](C)CC ZINC001153569968 805403059 /nfs/dbraw/zinc/40/30/59/805403059.db2.gz FULFCRMJLHWFBO-HZPDHXFCSA-N 0 3 280.456 3.053 20 30 CGEDHN CCN1CCCC[C@H]1c1ccc(NC2(C#N)CCC2)nc1 ZINC001154921378 805510354 /nfs/dbraw/zinc/51/03/54/805510354.db2.gz YSUODAQEGSGQTB-HNNXBMFYSA-N 0 3 284.407 3.487 20 30 CGEDHN C#CCOCCN(CCCC)Cc1ccccc1F ZINC001167294197 807177397 /nfs/dbraw/zinc/17/73/97/807177397.db2.gz IYRLOGUGKOCEJF-UHFFFAOYSA-N 0 3 263.356 3.078 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CC1CCCCCC1 ZINC001167356578 807186164 /nfs/dbraw/zinc/18/61/64/807186164.db2.gz CAOJZHYCMXQGCH-UHFFFAOYSA-N 0 3 286.847 3.195 20 30 CGEDHN C#CCN(CC)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001167578055 807208228 /nfs/dbraw/zinc/20/82/28/807208228.db2.gz WXXZOHNXFIXXDF-IAGOWNOFSA-N 0 3 257.377 3.252 20 30 CGEDHN N#CC1(c2ccccc2F)CCN([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167959005 807285951 /nfs/dbraw/zinc/28/59/51/807285951.db2.gz MNLSVERDHBDKBJ-FICVDOATSA-N 0 3 284.378 3.481 20 30 CGEDHN COC(=O)C1(C#N)CCN([C@@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258074186 807290377 /nfs/dbraw/zinc/29/03/77/807290377.db2.gz CLQNJWOWUZVUBB-GJZGRUSLSA-N 0 3 294.439 3.226 20 30 CGEDHN CC(C)=CCC[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001258100075 807307589 /nfs/dbraw/zinc/30/75/89/807307589.db2.gz VVFRMQFSCJAHCM-MRXNPFEDSA-N 0 3 298.434 3.210 20 30 CGEDHN CCCCN(CCC#N)[C@@H](C)CCCC(=O)OCC ZINC001258127965 807316859 /nfs/dbraw/zinc/31/68/59/807316859.db2.gz XTYWAJCDVSAZGB-AWEZNQCLSA-N 0 3 268.401 3.124 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)CCCCCC ZINC001168846867 807525565 /nfs/dbraw/zinc/52/55/65/807525565.db2.gz WMXMKIMGLQXGFB-CYBMUJFWSA-N 0 3 288.863 3.441 20 30 CGEDHN CN(C)/C=N/c1ccc(NCCC2CCC2)cc1C#N ZINC001168889965 807536716 /nfs/dbraw/zinc/53/67/16/807536716.db2.gz ZXPLUOJCQRYXMO-XDHOZWIPSA-N 0 3 270.380 3.382 20 30 CGEDHN C=CCC[C@@H](C)NCc1c(F)ccc(OC)c1F ZINC001258720309 807568668 /nfs/dbraw/zinc/56/86/68/807568668.db2.gz YMENRSSBLFINGE-SNVBAGLBSA-N 0 3 255.308 3.418 20 30 CGEDHN C=CCC[C@@H](C)N1CCc2nc(C3CC3)ncc2C1 ZINC001258733234 807579468 /nfs/dbraw/zinc/57/94/68/807579468.db2.gz WYRAVPQSOGVUNK-GFCCVEGCSA-N 0 3 257.381 3.067 20 30 CGEDHN C#C[C@@](C)(CC)Nc1cc(CN2CCCCC2)ccn1 ZINC001169692949 807688582 /nfs/dbraw/zinc/68/85/82/807688582.db2.gz QPXFIVFOLMIAFK-KRWDZBQOSA-N 0 3 271.408 3.281 20 30 CGEDHN C[C@@H](Cc1ccccc1Cl)NC(=N)c1ccc(F)cn1 ZINC001170255561 807805968 /nfs/dbraw/zinc/80/59/68/807805968.db2.gz SKVZDKUXMDTTJW-JTQLQIEISA-N 0 3 291.757 3.211 20 30 CGEDHN C[C@H](Cc1ccccc1Cl)NC(=N)c1ccc(F)cn1 ZINC001170255562 807806327 /nfs/dbraw/zinc/80/63/27/807806327.db2.gz SKVZDKUXMDTTJW-SNVBAGLBSA-N 0 3 291.757 3.211 20 30 CGEDHN CCn1nnc(C)c1CN[C@@H](CCCC#N)c1ccccc1 ZINC001170622681 807866466 /nfs/dbraw/zinc/86/64/66/807866466.db2.gz CNJVJFIXYLKKEK-INIZCTEOSA-N 0 3 297.406 3.131 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1-c1nc(C)c[nH]1 ZINC001263113815 807934305 /nfs/dbraw/zinc/93/43/05/807934305.db2.gz UIURWXLZIJIJOH-CQSZACIVSA-N 0 3 298.390 3.007 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001171230241 808014078 /nfs/dbraw/zinc/01/40/78/808014078.db2.gz UFCSRAMRHYXGGA-CQSZACIVSA-N 0 3 292.382 3.253 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001171230241 808014084 /nfs/dbraw/zinc/01/40/84/808014084.db2.gz UFCSRAMRHYXGGA-CQSZACIVSA-N 0 3 292.382 3.253 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)CC1 ZINC001264956434 808102061 /nfs/dbraw/zinc/10/20/61/808102061.db2.gz LSUVLMZOPQYFMX-QGZVFWFLSA-N 0 3 298.430 3.252 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001265082933 808108782 /nfs/dbraw/zinc/10/87/82/808108782.db2.gz ISNLGRFNNLOOHY-ZFWWWQNUSA-N 0 3 296.842 3.208 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001265235090 808122066 /nfs/dbraw/zinc/12/20/66/808122066.db2.gz IFCDBQWDLSMKEF-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@@H]1c1ncccn1 ZINC001172317062 808226351 /nfs/dbraw/zinc/22/63/51/808226351.db2.gz PFPWSIDSYZCFTC-RHSMWYFYSA-N 0 3 292.386 3.116 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(CC(C)C)CCC1 ZINC001266471384 808272293 /nfs/dbraw/zinc/27/22/93/808272293.db2.gz NUJXHEUFABYIAG-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](CC)CCC ZINC001266857573 808325638 /nfs/dbraw/zinc/32/56/38/808325638.db2.gz NGAJKOZZMXGAMW-HOTGVXAUSA-N 0 3 280.456 3.360 20 30 CGEDHN C[C@H](CCCC#N)N1CCc2nc(Cl)ccc2C1 ZINC001172507808 808364630 /nfs/dbraw/zinc/36/46/30/808364630.db2.gz YRNWAGSNCGHNPS-LLVKDONJSA-N 0 3 263.772 3.175 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001267318300 808414207 /nfs/dbraw/zinc/41/42/07/808414207.db2.gz WDDHODCNXUKLDJ-MRXNPFEDSA-N 0 3 294.483 3.300 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)C[C@H](C)CC)c1ccccc1 ZINC001267356650 808420121 /nfs/dbraw/zinc/42/01/21/808420121.db2.gz GUSHIAZSRARCAH-WBVHZDCISA-N 0 3 288.435 3.446 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)/C=C(\C)CC)CCCC1 ZINC001268036368 808529792 /nfs/dbraw/zinc/52/97/92/808529792.db2.gz SEJQJULLMROVHC-FMIVXFBMSA-N 0 3 284.831 3.114 20 30 CGEDHN CCSC[C@H](C)NC(=N)c1ccc2ccccc2n1 ZINC001173297173 808596896 /nfs/dbraw/zinc/59/68/96/808596896.db2.gz RGXAXTHVVURRFF-NSHDSACASA-N 0 3 273.405 3.082 20 30 CGEDHN COC(=O)c1cccc2c1CN(C1CCC(C)(C#N)CC1)C2 ZINC001173600291 808650960 /nfs/dbraw/zinc/65/09/60/808650960.db2.gz YHQGYQLFWMOIRC-UHFFFAOYSA-N 0 3 298.386 3.261 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001269211055 808655366 /nfs/dbraw/zinc/65/53/66/808655366.db2.gz QTIBYQNFGHIMMZ-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN CCCCN(CCC#N)[C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173642991 808658480 /nfs/dbraw/zinc/65/84/80/808658480.db2.gz GBPPCRRMFHAUKP-CABCVRRESA-N 0 3 280.412 3.124 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001269287329 808666104 /nfs/dbraw/zinc/66/61/04/808666104.db2.gz HPWDJTCPIYGAQY-HZPDHXFCSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H](C)CCCCC)C1 ZINC001270631915 808739731 /nfs/dbraw/zinc/73/97/31/808739731.db2.gz GWTZJBJYCRRLSQ-RDJZCZTQSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCCCCCCC(=O)N1CCC2(CN(C)C2)CC1 ZINC001270885991 808752234 /nfs/dbraw/zinc/75/22/34/808752234.db2.gz XUDSSGPSJMSJKS-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1sccc1C(C)C ZINC001272179065 808800534 /nfs/dbraw/zinc/80/05/34/808800534.db2.gz VWWFSEYSGWPOAD-UHFFFAOYSA-N 0 3 294.464 3.451 20 30 CGEDHN C=CCC1(NC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001272726583 808822793 /nfs/dbraw/zinc/82/27/93/808822793.db2.gz WWSXUSCCVBVCQK-OAHLLOKOSA-N 0 3 278.440 3.254 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](CC)CCCC)CC1 ZINC001273394366 808841517 /nfs/dbraw/zinc/84/15/17/808841517.db2.gz YMIDIETWXZVLNJ-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2sccc2s1 ZINC001275865923 808972350 /nfs/dbraw/zinc/97/23/50/808972350.db2.gz QASPLPZDNMDHQN-SNVBAGLBSA-N 0 3 294.445 3.199 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1(C)CCCC1 ZINC001277257346 809066635 /nfs/dbraw/zinc/06/66/35/809066635.db2.gz YUFBMQBVFGHUGW-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)C1CCCCCCC1 ZINC001280833543 809202008 /nfs/dbraw/zinc/20/20/08/809202008.db2.gz YNLPNKJOULTNKQ-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCCCC(C)C ZINC001281965274 809226698 /nfs/dbraw/zinc/22/66/98/809226698.db2.gz QHZHNXMOGLMBGC-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)C/C=C/c1ccc(C)cc1 ZINC001282504364 809252534 /nfs/dbraw/zinc/25/25/34/809252534.db2.gz OIYHIYOAYBYMOW-MOEXGYKKSA-N 0 3 286.419 3.021 20 30 CGEDHN CC#CCN1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001175802758 809547041 /nfs/dbraw/zinc/54/70/41/809547041.db2.gz YSOPOUOYLPFYGU-MRXNPFEDSA-N 0 3 279.387 3.279 20 30 CGEDHN Cc1csc(NC(=O)C(C#N)Cc2cccs2)c1 ZINC001177903846 809830570 /nfs/dbraw/zinc/83/05/70/809830570.db2.gz LGXWMKMOASLTGT-SNVBAGLBSA-N 0 3 276.386 3.439 20 30 CGEDHN N#Cc1c(F)cccc1CNCC[C@@H]1C[C@H]1C1CC1 ZINC001183824119 810164083 /nfs/dbraw/zinc/16/40/83/810164083.db2.gz YTZOMDIVNGWRNX-OCCSQVGLSA-N 0 3 258.340 3.223 20 30 CGEDHN C=CCN(C)CCN(CC)c1nc2cc(C)ccc2o1 ZINC001186854569 810365997 /nfs/dbraw/zinc/36/59/97/810365997.db2.gz MNXRORKIZVALCB-UHFFFAOYSA-N 0 3 273.380 3.080 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@H](NC[C@@H](F)CC)C2)CCCC1 ZINC001188490654 810485466 /nfs/dbraw/zinc/48/54/66/810485466.db2.gz VWNTUGIINQYELC-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCCCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC001192919647 810827916 /nfs/dbraw/zinc/82/79/16/810827916.db2.gz XTXPNYHFZZJWGH-UHFFFAOYSA-N 0 3 298.434 3.037 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@H](c3ccccc3)C2)c1 ZINC001194533490 811087249 /nfs/dbraw/zinc/08/72/49/811087249.db2.gz BTSPFJBOUAPQOB-KRWDZBQOSA-N 0 3 277.371 3.333 20 30 CGEDHN C=C(C)CCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001196010183 811310116 /nfs/dbraw/zinc/31/01/16/811310116.db2.gz KQZDCSBGVGKICY-UHFFFAOYSA-N 0 3 290.451 3.377 20 30 CGEDHN C=CC[C@@H](C)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001196134996 811321218 /nfs/dbraw/zinc/32/12/18/811321218.db2.gz UOYAPNULAVRBDT-RDTXWAMCSA-N 0 3 285.387 3.451 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196763380 811363896 /nfs/dbraw/zinc/36/38/96/811363896.db2.gz YHJLRLPUAKGQNA-OAHLLOKOSA-N 0 3 284.419 3.015 20 30 CGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001196854751 811374391 /nfs/dbraw/zinc/37/43/91/811374391.db2.gz SSBJFHHEPAQHQY-JKSUJKDBSA-N 0 3 298.446 3.119 20 30 CGEDHN C#CC[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001197701551 811447338 /nfs/dbraw/zinc/44/73/38/811447338.db2.gz KQEKQXZSSDAMBQ-ABAIWWIYSA-N 0 3 298.213 3.372 20 30 CGEDHN C#CCC1(NCc2ccsc2C(=O)OC)CCCCC1 ZINC001198084855 811475814 /nfs/dbraw/zinc/47/58/14/811475814.db2.gz MCYHVEQBPYFJFL-UHFFFAOYSA-N 0 3 291.416 3.351 20 30 CGEDHN Cc1ncc(Nc2ccc(C(F)(F)F)cc2C#N)n1C ZINC001201690691 811937436 /nfs/dbraw/zinc/93/74/36/811937436.db2.gz HRHIRFFFOUSZBQ-UHFFFAOYSA-N 0 3 280.253 3.363 20 30 CGEDHN C=CCOCc1nn(C)c2c1CN(CCCCCC)CC2 ZINC001201750485 811958406 /nfs/dbraw/zinc/95/84/06/811958406.db2.gz MMMKRHFTNFKIIC-UHFFFAOYSA-N 0 3 291.439 3.061 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc(CC)c1 ZINC001202892276 812195042 /nfs/dbraw/zinc/19/50/42/812195042.db2.gz APTOCGOFRMFCLL-INIZCTEOSA-N 0 3 287.407 3.021 20 30 CGEDHN C=C[C@H](CO)NCc1cccc(Oc2ccc(F)cc2)c1 ZINC001203207610 812265863 /nfs/dbraw/zinc/26/58/63/812265863.db2.gz MQPWTNKUPPBACF-OAHLLOKOSA-N 0 3 287.334 3.255 20 30 CGEDHN CCCCCCN1CCN(Cc2ccccc2C#N)CC1 ZINC001204370116 812622842 /nfs/dbraw/zinc/62/28/42/812622842.db2.gz PTGHRITUGLYPJI-UHFFFAOYSA-N 0 3 285.435 3.256 20 30 CGEDHN SC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC001204502728 812656762 /nfs/dbraw/zinc/65/67/62/812656762.db2.gz IZHJIWDIKWJTDP-UHFFFAOYSA-N 0 3 258.390 3.129 20 30 CGEDHN O=C1C=C2CN(Cc3cccc(C(F)F)c3)CCC2S1 ZINC001207128564 813493155 /nfs/dbraw/zinc/49/31/55/813493155.db2.gz QBLAINILVZJEMK-ZDUSSCGKSA-N 0 3 295.354 3.398 20 30 CGEDHN C=CCN1CCN(CC[C@@H](C)CC(C)(C)C)CC1 ZINC001208659016 813784350 /nfs/dbraw/zinc/78/43/50/813784350.db2.gz FKWUNPXKTDLBIO-OAHLLOKOSA-N 0 3 252.446 3.252 20 30 CGEDHN COC(=O)C1(C#N)CCN(CC[C@@H](C)CC(C)(C)C)CC1 ZINC001208664854 813787262 /nfs/dbraw/zinc/78/72/62/813787262.db2.gz ZVAFEGFPTUTENX-CQSZACIVSA-N 0 3 294.439 3.228 20 30 CGEDHN C=CCCCN1CCN(c2ccc(Cl)c(OC)c2)CC1 ZINC001209164423 813954912 /nfs/dbraw/zinc/95/49/12/813954912.db2.gz YNAKVRLAWBSWQP-UHFFFAOYSA-N 0 3 294.826 3.437 20 30 CGEDHN C=CCCCCN1CCc2ccc(C(=O)OC)cc2C1 ZINC001209205351 813966116 /nfs/dbraw/zinc/96/61/16/813966116.db2.gz WNVPVSBJHQQPAP-UHFFFAOYSA-N 0 3 273.376 3.188 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001209209333 813969643 /nfs/dbraw/zinc/96/96/43/813969643.db2.gz UNYYAACZTFSEHF-ARFHVFGLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCCCCCN1CCN(C(C)=O)[C@H](C)C1 ZINC001209441681 814040272 /nfs/dbraw/zinc/04/02/72/814040272.db2.gz JKLYKURTHDFWOB-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN C[C@H]1CC(=O)C=C(c2ccccc2OCCN(C)C)C1 ZINC001242746268 823121191 /nfs/dbraw/zinc/12/11/91/823121191.db2.gz UFMKXYKIBCDSBC-CYBMUJFWSA-N 0 3 273.376 3.009 20 30 CGEDHN C=CCCCCCCCCCOC[C@H]1CNCCO1 ZINC001217821428 815970499 /nfs/dbraw/zinc/97/04/99/815970499.db2.gz LSKMKRRAKBSOHJ-MRXNPFEDSA-N 0 3 269.429 3.298 20 30 CGEDHN CCCCCCC[C@H](C)OC[C@@H]1COC(C)(C)N1 ZINC001217842306 815976509 /nfs/dbraw/zinc/97/65/09/815976509.db2.gz ZPWSERFYWHIXNU-UONOGXRCSA-N 0 3 257.418 3.477 20 30 CGEDHN N#Cc1cc(Cl)ccc1O[C@@H]1CNCc2ccccc21 ZINC001218485212 816239801 /nfs/dbraw/zinc/23/98/01/816239801.db2.gz DZYRRFIAINOKOM-MRXNPFEDSA-N 0 3 284.746 3.435 20 30 CGEDHN C=C[C@@H](CCCCCCC)OCCN1CCN(C)CC1 ZINC001224550352 816826919 /nfs/dbraw/zinc/82/69/19/816826919.db2.gz UPLRKOQNQKTGBO-KRWDZBQOSA-N 0 3 282.472 3.166 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001231169575 818050657 /nfs/dbraw/zinc/05/06/57/818050657.db2.gz JIMAATBFCFVOAJ-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](CC(=O)OC(C)(C)C)C2)c1 ZINC001231660934 818152106 /nfs/dbraw/zinc/15/21/06/818152106.db2.gz LQWMXKJUPSIXPA-QGZVFWFLSA-N 0 3 299.414 3.222 20 30 CGEDHN CSCCN(C)Cc1ccc(C#N)c(Cl)c1 ZINC001232117931 818259738 /nfs/dbraw/zinc/25/97/38/818259738.db2.gz IGAGYTOWTRRJAH-UHFFFAOYSA-N 0 3 254.786 3.006 20 30 CGEDHN C=C(C)CN(CC)Cc1ccnc(C(F)(F)F)c1 ZINC001232240701 818290764 /nfs/dbraw/zinc/29/07/64/818290764.db2.gz OGHAOUGEQKVNBC-UHFFFAOYSA-N 0 3 258.287 3.498 20 30 CGEDHN C=CCN(Cc1[nH]nc2c1CCC2)C1CCCCC1 ZINC001232430212 818348804 /nfs/dbraw/zinc/34/88/04/818348804.db2.gz RLWRPQOFPWIQLZ-UHFFFAOYSA-N 0 3 259.397 3.219 20 30 CGEDHN COCC[C@@H]1CCCCN1Cc1ccc(C)cc1C#N ZINC001232966283 818486081 /nfs/dbraw/zinc/48/60/81/818486081.db2.gz JTTUKJVJCOYBCS-KRWDZBQOSA-N 0 3 272.392 3.258 20 30 CGEDHN CC(C)CCCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206383 818801386 /nfs/dbraw/zinc/80/13/86/818801386.db2.gz PCKITLZQIZADAY-INIZCTEOSA-N 0 3 292.467 3.005 20 30 CGEDHN CC#C[C@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234240472 818812337 /nfs/dbraw/zinc/81/23/37/818812337.db2.gz HICUIWYJPSUGAP-ZDUSSCGKSA-N 0 3 279.355 3.077 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234464305 818861273 /nfs/dbraw/zinc/86/12/73/818861273.db2.gz AMWZOZGPXYLPTM-HNNXBMFYSA-N 0 3 280.456 3.290 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001234554717 818881650 /nfs/dbraw/zinc/88/16/50/818881650.db2.gz MRIUKKFIXYMOKP-CQSZACIVSA-N 0 3 298.858 3.098 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(F)c(F)c(OC)c1 ZINC001235451752 819102240 /nfs/dbraw/zinc/10/22/40/819102240.db2.gz SACYRAVRJVJDAX-UHFFFAOYSA-N 0 3 255.308 3.371 20 30 CGEDHN COc1ccc(CN(C)Cc2ccccc2CC#N)cc1 ZINC001235514972 819112809 /nfs/dbraw/zinc/11/28/09/819112809.db2.gz NFRUTHRKXCAOTF-UHFFFAOYSA-N 0 3 280.371 3.393 20 30 CGEDHN CCc1n[nH]cc1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001237650894 819799850 /nfs/dbraw/zinc/79/98/50/819799850.db2.gz KNGYEEHCPKUBPR-UHFFFAOYSA-N 0 3 294.402 3.223 20 30 CGEDHN CC1(C)[C@@H]2CN(Cc3cc(Cl)cc(C#N)c3)C[C@@H]21 ZINC001237751380 819835255 /nfs/dbraw/zinc/83/52/55/819835255.db2.gz JEXNPIWFRXSVJW-OKILXGFUSA-N 0 3 260.768 3.299 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCC[C@@]1(C)O ZINC001238081920 819927269 /nfs/dbraw/zinc/92/72/69/819927269.db2.gz COJJMPSNDFXMTD-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN Cc1ccc(Cl)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001238565229 820046532 /nfs/dbraw/zinc/04/65/32/820046532.db2.gz UTLQVHREMBXPRB-AWEZNQCLSA-N 0 3 293.819 3.423 20 30 CGEDHN CCc1cc(CN2CCC(n3cccn3)CC2)ccc1C#N ZINC001238769207 820112422 /nfs/dbraw/zinc/11/24/22/820112422.db2.gz QHFRFNHVUQZXRT-UHFFFAOYSA-N 0 3 294.402 3.154 20 30 CGEDHN CCCCCCCNC(=S)N1CCN[C@@H](CCCC)C1 ZINC001239445478 820308992 /nfs/dbraw/zinc/30/89/92/820308992.db2.gz OKGYPZDZNWHXCZ-HNNXBMFYSA-N 0 3 299.528 3.295 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C(F)F)c1 ZINC001339898603 936389915 /nfs/dbraw/zinc/38/99/15/936389915.db2.gz LOHHJCQCJKTLCE-GFCCVEGCSA-N 0 3 268.307 3.246 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC001339951385 936392367 /nfs/dbraw/zinc/39/23/67/936392367.db2.gz KSQOKFOYKNBIAS-OIISXLGYSA-N 0 3 286.419 3.075 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1N(C)CCC ZINC001340737160 936413117 /nfs/dbraw/zinc/41/31/17/936413117.db2.gz ZSYWHWQLVVXAFS-AWEZNQCLSA-N 0 3 289.423 3.155 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC001340864820 936417258 /nfs/dbraw/zinc/41/72/58/936417258.db2.gz LEVUZFJGRRXRLN-INIZCTEOSA-N 0 3 289.423 3.153 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cccc3c2CCOC3)n1 ZINC001341724759 936449109 /nfs/dbraw/zinc/44/91/09/936449109.db2.gz OPKNIVQMBAZECK-CQSZACIVSA-N 0 3 298.367 3.014 20 30 CGEDHN N#CC(C(=O)CC(C1CC1)C1CC1)c1cccc(F)n1 ZINC001342637067 936473276 /nfs/dbraw/zinc/47/32/76/936473276.db2.gz LSEJNNRNHKGOJQ-ZDUSSCGKSA-N 0 3 272.323 3.223 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1cccnc1 ZINC001343454252 936501510 /nfs/dbraw/zinc/50/15/10/936501510.db2.gz UEIYAIMLRQYFLV-INIZCTEOSA-N 0 3 291.439 3.118 20 30 CGEDHN CC#CCN(C)CCc1ccc(OC(F)(F)F)cc1 ZINC001343901968 936518163 /nfs/dbraw/zinc/51/81/63/936518163.db2.gz JYKRQSJONLQPNY-UHFFFAOYSA-N 0 3 271.282 3.083 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccccc1 ZINC001344321881 936529278 /nfs/dbraw/zinc/52/92/78/936529278.db2.gz CTFPVPPGDGABPX-OAHLLOKOSA-N 0 3 281.359 3.102 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(Cl)cc(C)c1OC ZINC001344344637 936530579 /nfs/dbraw/zinc/53/05/79/936530579.db2.gz RMYLSSUDFPTJKL-GFCCVEGCSA-N 0 3 296.798 3.279 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cscc1C(F)F ZINC001345643215 936819240 /nfs/dbraw/zinc/81/92/40/936819240.db2.gz NTKKSMFPXITVNX-MRVPVSSYSA-N 0 3 295.314 3.392 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(Cl)cs1 ZINC001346095771 936837886 /nfs/dbraw/zinc/83/78/86/936837886.db2.gz IPJVZFQACNGJJA-VIFPVBQESA-N 0 3 279.752 3.108 20 30 CGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC001348728110 936931828 /nfs/dbraw/zinc/93/18/28/936931828.db2.gz RMOYRLWWLWOZHR-UHFFFAOYSA-N 0 3 294.464 3.241 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001349701460 936958628 /nfs/dbraw/zinc/95/86/28/936958628.db2.gz GEGVKNIGYSQMOZ-REWJHTLYSA-N 0 3 273.380 3.152 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCCC)cc1C ZINC001353201160 937059732 /nfs/dbraw/zinc/05/97/32/937059732.db2.gz GBOKMNHWJYLUAS-HNNXBMFYSA-N 0 3 290.407 3.406 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CC(C(C)(C)C)C1 ZINC001347337375 926724667 /nfs/dbraw/zinc/72/46/67/926724667.db2.gz HQAJRNRNTTZJDU-BPCQOVAHSA-N 0 3 273.380 3.152 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCC(CC)(CC)C(F)(F)F ZINC001354511981 937105247 /nfs/dbraw/zinc/10/52/47/937105247.db2.gz LNMRZZMCYVGOAZ-LLVKDONJSA-N 0 3 294.361 3.155 20 30 CGEDHN N#CCc1ccc(CNCc2cccc(F)c2)cc1 ZINC000398967886 926753447 /nfs/dbraw/zinc/75/34/47/926753447.db2.gz SMUCYGMPIYKWEC-UHFFFAOYSA-N 0 3 254.308 3.182 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@H](CC)CC1CCCC1 ZINC001480920782 926795199 /nfs/dbraw/zinc/79/51/99/926795199.db2.gz XIEWGLISOKOVEM-MRXNPFEDSA-N 0 3 280.456 3.217 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)c1cccc(C2CC2)c1 ZINC001481154951 926896136 /nfs/dbraw/zinc/89/61/36/926896136.db2.gz OVKMPTWTFFUHIZ-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/CC ZINC001481671448 927051500 /nfs/dbraw/zinc/05/15/00/927051500.db2.gz QBJRYCZJBMLMSE-HABDOHHLSA-N 0 3 290.451 3.230 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001481679062 927056056 /nfs/dbraw/zinc/05/60/56/927056056.db2.gz WNAWECAMLNTWGR-HOTGVXAUSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001482599409 927319130 /nfs/dbraw/zinc/31/91/30/927319130.db2.gz WDBNYEIMCOBGGR-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCCC1(F)F)c1ccccn1 ZINC001356238222 937155658 /nfs/dbraw/zinc/15/56/58/937155658.db2.gz GRJNXWDTYIKFOS-MNOVXSKESA-N 0 3 264.275 3.083 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@](C)(CC)c1ccccc1 ZINC001357253831 937168696 /nfs/dbraw/zinc/16/86/96/937168696.db2.gz KOYUFPPDWLACIC-NVXWUHKLSA-N 0 3 274.408 3.112 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C1(CC=C)CCC1 ZINC001483676329 927566642 /nfs/dbraw/zinc/56/66/42/927566642.db2.gz BUAWTFUEMVZXRF-HOTGVXAUSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](CC)CC1CCCC1 ZINC001483692934 927578804 /nfs/dbraw/zinc/57/88/04/927578804.db2.gz BOWGURDSGCRVGR-SJORKVTESA-N 0 3 292.467 3.360 20 30 CGEDHN C=CC(C)(C)C(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001484140226 927679725 /nfs/dbraw/zinc/67/97/25/927679725.db2.gz QYDSDPYIHZCNHG-TWGQIWQCSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001484720876 927744348 /nfs/dbraw/zinc/74/43/48/927744348.db2.gz WJGIFCDQKSLOJV-SIEMXDPISA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001485484801 927881837 /nfs/dbraw/zinc/88/18/37/927881837.db2.gz LNRVXNUXLDWNKX-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)/C=C(/C)CC)C(C)C ZINC001486368153 928010884 /nfs/dbraw/zinc/01/08/84/928010884.db2.gz KUKDBODKZHULDA-PTNGSMBKSA-N 0 3 266.429 3.088 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001486521578 928030570 /nfs/dbraw/zinc/03/05/70/928030570.db2.gz FUUYVFVJYRGALT-QGZVFWFLSA-N 0 3 292.467 3.383 20 30 CGEDHN CC(C)N1CCC[C@H](Oc2cc(F)c(F)cc2C#N)C1 ZINC001229838618 928041995 /nfs/dbraw/zinc/04/19/95/928041995.db2.gz WEBHKEHLMCGTJB-LBPRGKRZSA-N 0 3 280.318 3.088 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848756 928073188 /nfs/dbraw/zinc/07/31/88/928073188.db2.gz KNXRDWWGVGFOPF-LSDHHAIUSA-N 0 3 298.496 3.017 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001494915908 928276687 /nfs/dbraw/zinc/27/66/87/928276687.db2.gz ATADUUUPQVMTDT-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@](C)(C=C)CC ZINC001488653390 928290010 /nfs/dbraw/zinc/29/00/10/928290010.db2.gz IVIZJINKZVALRF-DOTOQJQBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001489343444 928329485 /nfs/dbraw/zinc/32/94/85/928329485.db2.gz GLFHFXXNXDVPIR-VIIAAUOXSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CC[C@@H]1N(Cc2nn(C)cc2C)CCCC1(C)C ZINC001307728543 928515056 /nfs/dbraw/zinc/51/50/56/928515056.db2.gz DSDUBBGENUKVPP-HNNXBMFYSA-N 0 3 261.413 3.295 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN(C[C@H](F)CC)C1 ZINC001491107298 928833228 /nfs/dbraw/zinc/83/32/28/928833228.db2.gz HWUORUZIQXABFC-LSDHHAIUSA-N 0 3 298.446 3.165 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)CCCC ZINC001491206013 928844647 /nfs/dbraw/zinc/84/46/47/928844647.db2.gz HWZBVUOEMOYPFV-HOTGVXAUSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1cccc(C)c1 ZINC001448883523 937377323 /nfs/dbraw/zinc/37/73/23/937377323.db2.gz OMWJASSXGNNKGT-MRXNPFEDSA-N 0 3 288.435 3.065 20 30 CGEDHN CC1(C)CO[C@H](CN(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC001459815153 937501811 /nfs/dbraw/zinc/50/18/11/937501811.db2.gz BIEPZCZAJJEELZ-KRWDZBQOSA-N 0 3 284.403 3.338 20 30 CGEDHN C=CCCC[C@@H](NCC(=O)N(C)CC)c1ccccc1 ZINC001460709422 937541061 /nfs/dbraw/zinc/54/10/61/937541061.db2.gz NGEUMHZXIIDXMV-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN COCC#CCN[C@@H](C)c1cc2ccccc2c(OC)c1 ZINC001460896931 937551919 /nfs/dbraw/zinc/55/19/19/937551919.db2.gz QIHYTXIYSADOQV-AWEZNQCLSA-N 0 3 283.371 3.149 20 30 CGEDHN C#CCN(C[C@H]1[C@H](c2ccccc2)C1(F)F)C(C)C ZINC001460823771 937547538 /nfs/dbraw/zinc/54/75/38/937547538.db2.gz MQCADGQNRNECLI-GJZGRUSLSA-N 0 3 263.331 3.379 20 30 CGEDHN CC(C)N1CCC[C@@H](Oc2cccc(C#N)c2Cl)C1 ZINC001229068533 932085595 /nfs/dbraw/zinc/08/55/95/932085595.db2.gz ANUWTQWUFVROBD-CYBMUJFWSA-N 0 3 278.783 3.463 20 30 CGEDHN C#C[C@H](CC(C)C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301718 932129332 /nfs/dbraw/zinc/12/93/32/932129332.db2.gz BOPXVKCZOMNMQI-MRXNPFEDSA-N 0 3 287.403 3.248 20 30 CGEDHN COc1cc(CNCc2ccc3cc[nH]c3c2)ccc1C#N ZINC001461486558 937583149 /nfs/dbraw/zinc/58/31/49/937583149.db2.gz IRODZGNJXASPGG-UHFFFAOYSA-N 0 3 291.354 3.338 20 30 CGEDHN C=CCOCCNCc1cc(C(C)(C)C)oc1C ZINC001461653129 937590500 /nfs/dbraw/zinc/59/05/00/937590500.db2.gz OSUVYJXVCIRKLS-UHFFFAOYSA-N 0 3 251.370 3.178 20 30 CGEDHN C#CC1(NCc2cnc(CC(C)C)s2)CCCC1 ZINC001461711419 937593963 /nfs/dbraw/zinc/59/39/63/937593963.db2.gz GMEGHJGLJNAUID-UHFFFAOYSA-N 0 3 262.422 3.377 20 30 CGEDHN CNc1ccccc1CNCc1ccc(C)c(C#N)c1 ZINC001461740567 937594667 /nfs/dbraw/zinc/59/46/67/937594667.db2.gz BHQOQODUYQAQTL-UHFFFAOYSA-N 0 3 265.360 3.198 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230556980 932587947 /nfs/dbraw/zinc/58/79/47/932587947.db2.gz QMKZJJZYDBLVSG-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230614870 932598130 /nfs/dbraw/zinc/59/81/30/932598130.db2.gz SXMLPQQMLRJTOR-AWEZNQCLSA-N 0 3 286.435 3.238 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001230751903 932619146 /nfs/dbraw/zinc/61/91/46/932619146.db2.gz AAAPZQPXXQECAA-MRXNPFEDSA-N 0 3 290.407 3.172 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000442827183 932691469 /nfs/dbraw/zinc/69/14/69/932691469.db2.gz NRNJNVCMUMKYGM-UKRRQHHQSA-N 0 3 292.304 3.339 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C=C)c1ccccc1 ZINC001316608571 932749166 /nfs/dbraw/zinc/74/91/66/932749166.db2.gz HFQQRMDHFARIQQ-ROUUACIJSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCCN(C)Cc1ccsc1 ZINC001316826928 932759196 /nfs/dbraw/zinc/75/91/96/932759196.db2.gz GOSGPVMPWLCBNT-UHFFFAOYSA-N 0 3 294.464 3.289 20 30 CGEDHN C#C[C@@H](NCc1cc2ccc(F)cc2[nH]c1=O)C(C)(C)C ZINC001462293625 937630559 /nfs/dbraw/zinc/63/05/59/937630559.db2.gz HBJGIXCCQYTHQU-OAHLLOKOSA-N 0 3 286.350 3.217 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1CC ZINC001492171762 932808146 /nfs/dbraw/zinc/80/81/46/932808146.db2.gz RLGVNNCRJOQFDX-QLFBSQMISA-N 0 3 298.858 3.146 20 30 CGEDHN C#CC1(O)CCN([C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC001462461159 937642883 /nfs/dbraw/zinc/64/28/83/937642883.db2.gz WDBBTHXUZJHUFN-WCQYABFASA-N 0 3 293.457 3.134 20 30 CGEDHN C=CCN(Cc1cc(C(=O)OC)oc1CC)C(C)(C)C ZINC001307937838 933023742 /nfs/dbraw/zinc/02/37/42/933023742.db2.gz FEXDGPDXVJNKFF-UHFFFAOYSA-N 0 3 279.380 3.415 20 30 CGEDHN C=CC(C)(C)NCc1cnn(-c2ccccc2C)c1 ZINC001308545753 933129240 /nfs/dbraw/zinc/12/92/40/933129240.db2.gz HXBPZAKRHIADHS-UHFFFAOYSA-N 0 3 255.365 3.235 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2)C1 ZINC001316939077 933499620 /nfs/dbraw/zinc/49/96/20/933499620.db2.gz AYFKEVUBUYJIHR-DOTOQJQBSA-N 0 3 286.419 3.294 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CC/C=C/CC)C2)C1 ZINC001317944824 933667349 /nfs/dbraw/zinc/66/73/49/933667349.db2.gz RRQGMZLAFQXKAK-SQRWCISFSA-N 0 3 290.451 3.280 20 30 CGEDHN CCCCCCCCNC(=O)C1(N(C)C)CCCC1 ZINC001466119989 937706601 /nfs/dbraw/zinc/70/66/01/937706601.db2.gz RKEATFVXHUONOR-UHFFFAOYSA-N 0 3 268.445 3.338 20 30 CGEDHN C=CC1(CC(=O)NCCN2CC=C(C)CC2)CCCCC1 ZINC001467673516 937720933 /nfs/dbraw/zinc/72/09/33/937720933.db2.gz YZBLWADETVPABX-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CC12CCCC2)C(C)C ZINC001319955241 933965321 /nfs/dbraw/zinc/96/53/21/933965321.db2.gz CSRABYFILLSKRM-KBPBESRZSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001320085422 933994341 /nfs/dbraw/zinc/99/43/41/933994341.db2.gz QQKNTKJZIKGYDX-QGZVFWFLSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCO[C@@H]1CCN(c2c(C)cnc3ccccc32)C1 ZINC001320898461 934119713 /nfs/dbraw/zinc/11/97/13/934119713.db2.gz XTOXROWLPMDKRX-CQSZACIVSA-N 0 3 268.360 3.325 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001469927728 937745347 /nfs/dbraw/zinc/74/53/47/937745347.db2.gz UDZUTPKSWPUURV-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN CSCCON=Cc1ccc(N2CCCC2)cc1 ZINC001321235292 934167016 /nfs/dbraw/zinc/16/70/16/934167016.db2.gz IOMQORUAZITLMN-UHFFFAOYSA-N 0 3 264.394 3.000 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CCc2c1cccc2Cl ZINC001321242436 934168137 /nfs/dbraw/zinc/16/81/37/934168137.db2.gz XVHKITAMMDDOFB-HZMBPMFUSA-N 0 3 251.757 3.118 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001324321624 934485043 /nfs/dbraw/zinc/48/50/43/934485043.db2.gz FVUSANBGNPGRDG-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN CN(C)Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1 ZINC001472609479 937777956 /nfs/dbraw/zinc/77/79/56/937777956.db2.gz KJEQCHMZTVUDEY-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](CC)CCCCC)C1 ZINC001324674480 934546309 /nfs/dbraw/zinc/54/63/09/934546309.db2.gz QIRFMYPFQHQQCP-WMZOPIPTSA-N 0 3 292.467 3.197 20 30 CGEDHN CCC(CC)CN1CCN(c2ccsc2C#N)CC1 ZINC001473639868 937815190 /nfs/dbraw/zinc/81/51/90/937815190.db2.gz ARIICCVYJVUSFZ-UHFFFAOYSA-N 0 3 277.437 3.178 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(C)c1)[C@@H](C)COC ZINC001473637891 937815538 /nfs/dbraw/zinc/81/55/38/937815538.db2.gz XJSCOJFESITTQU-AWEZNQCLSA-N 0 3 263.381 3.027 20 30 CGEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(C#N)cn1 ZINC001326609360 934993974 /nfs/dbraw/zinc/99/39/74/934993974.db2.gz CJEYQTWKORFCCP-WFASDCNBSA-N 0 3 293.370 3.305 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001327172573 935040162 /nfs/dbraw/zinc/04/01/62/935040162.db2.gz LAPZAFDVBPHRNY-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001328099381 935117555 /nfs/dbraw/zinc/11/75/55/935117555.db2.gz UVDKOMWLWBPTLB-HZPDHXFCSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001329577048 935229588 /nfs/dbraw/zinc/22/95/88/935229588.db2.gz WGVYKGFAGGRMRV-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001330244483 935280532 /nfs/dbraw/zinc/28/05/32/935280532.db2.gz MHDHZWSJWIBRDC-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN CC(C)c1cc([C@@H]2CCCN(CC3(CC#N)CC3)C2)[nH]n1 ZINC001330723420 935317708 /nfs/dbraw/zinc/31/77/08/935317708.db2.gz UOWOMVYLBNKPAI-CQSZACIVSA-N 0 3 286.423 3.406 20 30 CGEDHN CC(C)c1cc([C@@H]2CCCN(CC3(CC#N)CC3)C2)n[nH]1 ZINC001330723420 935317714 /nfs/dbraw/zinc/31/77/14/935317714.db2.gz UOWOMVYLBNKPAI-CQSZACIVSA-N 0 3 286.423 3.406 20 30 CGEDHN Nc1ccc2c(c1)C(=NN[C@@H]1CCCSC1)CCCC2 ZINC001331365459 935373914 /nfs/dbraw/zinc/37/39/14/935373914.db2.gz VTNUIICEJAEZOY-CQSZACIVSA-N 0 3 289.448 3.185 20 30 CGEDHN Cc1ccc(CN[C@H]2CCCc3ncccc32)cc1C#N ZINC001332906706 935496455 /nfs/dbraw/zinc/49/64/55/935496455.db2.gz OJOSQBCOTUAHMZ-SFHVURJKSA-N 0 3 277.371 3.429 20 30 CGEDHN N#CCC1CCN(C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001334746323 936111274 /nfs/dbraw/zinc/11/12/74/936111274.db2.gz MNIWQNIHNCBHBK-OLZOCXBDSA-N 0 3 290.329 3.112 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001335545649 936152054 /nfs/dbraw/zinc/15/20/54/936152054.db2.gz JKTKKYJIZDWDDI-AWEZNQCLSA-N 0 3 292.448 3.358 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001337728170 936283839 /nfs/dbraw/zinc/28/38/39/936283839.db2.gz PDWOIGNEQLUEGA-HNNXBMFYSA-N 0 3 291.439 3.032 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cnc3ccccc3c2)C1 ZINC001337727824 936284425 /nfs/dbraw/zinc/28/44/25/936284425.db2.gz JAQUFKMSCFLVRD-INIZCTEOSA-N 0 3 268.360 3.012 20 30 CGEDHN C=CCCCCCCCNC(=O)NC[C@@H]1CCCCN1C ZINC001478773377 937910542 /nfs/dbraw/zinc/91/05/42/937910542.db2.gz DFMIPAXKZPEBPN-INIZCTEOSA-N 0 3 295.471 3.297 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1CCCCCC1 ZINC001480754003 937943622 /nfs/dbraw/zinc/94/36/22/937943622.db2.gz PBTYJQDGFQTMLA-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)C=C1CCCCC1 ZINC001498525489 937970269 /nfs/dbraw/zinc/97/02/69/937970269.db2.gz YJHMTEFLCDEGKL-UHFFFAOYSA-N 0 3 284.831 3.068 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1CCCC(C)(C)C ZINC001499036835 937972221 /nfs/dbraw/zinc/97/22/21/937972221.db2.gz HKZXEPRYVSXWCE-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001500192174 937976343 /nfs/dbraw/zinc/97/63/43/937976343.db2.gz YWXPKZOBELOFAV-GOSISDBHSA-N 0 3 286.419 3.042 20 30 CGEDHN C=CCCC(=O)N1CCC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001502541393 937982610 /nfs/dbraw/zinc/98/26/10/937982610.db2.gz NUXPYNRCDZREDW-NVXWUHKLSA-N 0 3 296.430 3.015 20 30 CGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001506577913 937990995 /nfs/dbraw/zinc/99/09/95/937990995.db2.gz DMTIQILFLBUICX-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001506577910 937991031 /nfs/dbraw/zinc/99/10/31/937991031.db2.gz DMTIQILFLBUICX-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CC1(CC(=O)N2C[C@@H](NCCF)C[C@@H]2C)CCCCC1 ZINC001507324513 937995045 /nfs/dbraw/zinc/99/50/45/937995045.db2.gz KOILLIZOJOBLMB-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(CC)CCC2)[C@H]1C ZINC001507381028 937995669 /nfs/dbraw/zinc/99/56/69/937995669.db2.gz HWUCPHQJNQTZMD-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(COC(=O)C2CCN(C3CC3)CC2)CCC1 ZINC001526978867 938059316 /nfs/dbraw/zinc/05/93/16/938059316.db2.gz CRQDNSYJHQJXRJ-UHFFFAOYSA-N 0 3 277.408 3.150 20 30 CGEDHN C#CCN(C[C@H]1CC(C)(C)CO1)[C@@H]1CCc2ccccc21 ZINC001559499442 938227659 /nfs/dbraw/zinc/22/76/59/938227659.db2.gz UITPGBTWJJMBDD-SJLPKXTDSA-N 0 3 283.415 3.424 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC001559554935 938229484 /nfs/dbraw/zinc/22/94/84/938229484.db2.gz OATFDMRBXLIFDJ-BFYDXBDKSA-N 0 3 287.403 3.291 20 30 CGEDHN CC[C@H](c1ccccc1)N1CCN([C@H](C)CCC#N)CC1 ZINC001559567910 938229915 /nfs/dbraw/zinc/22/99/15/938229915.db2.gz MTFHOZVAZWINEM-SJLPKXTDSA-N 0 3 285.435 3.448 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(CC(F)(F)F)cc1 ZINC001560819417 938278034 /nfs/dbraw/zinc/27/80/34/938278034.db2.gz SAYVQBJFKXQBTP-CYBMUJFWSA-N 0 3 255.283 3.293 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001570753653 960456250 /nfs/dbraw/zinc/45/62/50/960456250.db2.gz NJADVKJKPKDUBA-DOTOQJQBSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC001574851875 960468799 /nfs/dbraw/zinc/46/87/99/960468799.db2.gz LWQOUETZBKRRBA-RDBSUJKOSA-N 0 3 286.847 3.177 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001565827164 960841523 /nfs/dbraw/zinc/84/15/23/960841523.db2.gz ZYFPKEOUVDNDEC-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001565854361 960844953 /nfs/dbraw/zinc/84/49/53/960844953.db2.gz AOQGXKVZRYRYAO-KCQAQPDRSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001566750752 961008683 /nfs/dbraw/zinc/00/86/83/961008683.db2.gz QNIPZSHUVKXWPU-TWMKSMIVSA-N 0 3 292.467 3.453 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCCCC ZINC001567861751 961441753 /nfs/dbraw/zinc/44/17/53/961441753.db2.gz ANWQYEMWPXGUIJ-IKGGRYGDSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@H](C)c1ccccc1C ZINC001568497633 961597796 /nfs/dbraw/zinc/59/77/96/961597796.db2.gz LHFAPWUBCNLHIR-INIZCTEOSA-N 0 3 288.435 3.065 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2cscc2s1 ZINC001569127734 961699001 /nfs/dbraw/zinc/69/90/01/961699001.db2.gz HSRVTLSUCZXGBD-JTQLQIEISA-N 0 3 294.445 3.199 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)CC/C=C/c1ccccc1 ZINC001569137636 961703196 /nfs/dbraw/zinc/70/31/96/961703196.db2.gz GDUIANYPHYUEMD-OQRGYWNNSA-N 0 3 286.419 3.103 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001569355430 961745496 /nfs/dbraw/zinc/74/54/96/961745496.db2.gz JTUXDPOEJKOLJP-KGLIPLIRSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1ccoc1)c1ccccc1CC ZINC001569800004 961845187 /nfs/dbraw/zinc/84/51/87/961845187.db2.gz LNEAYFDPNODRAK-KRWDZBQOSA-N 0 3 298.386 3.089 20 30 CGEDHN C=C(C)CCC(=O)NCc1ccc([C@@H](C)NCC#CC)cc1 ZINC001570031764 961889150 /nfs/dbraw/zinc/88/91/50/961889150.db2.gz UQYJGMCEHBFLEM-MRXNPFEDSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001570395604 961956876 /nfs/dbraw/zinc/95/68/76/961956876.db2.gz MMPYEUZXEPQFTG-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C=C)c1ccccc1 ZINC001570547537 961999384 /nfs/dbraw/zinc/99/93/84/961999384.db2.gz FDWQDKDMYPGMDC-MSOLQXFVSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001570734074 962061716 /nfs/dbraw/zinc/06/17/16/962061716.db2.gz MGKHCTMWJSSTOC-QWHCGFSZSA-N 0 3 294.826 3.066 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)[C@@H](C)CC ZINC001573341924 962247591 /nfs/dbraw/zinc/24/75/91/962247591.db2.gz RFLHMEGJPJSDDL-KBPBESRZSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)[C@@H](C)CC ZINC001573341924 962247609 /nfs/dbraw/zinc/24/76/09/962247609.db2.gz RFLHMEGJPJSDDL-KBPBESRZSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)[C@@H](C)CC ZINC001573341924 962247625 /nfs/dbraw/zinc/24/76/25/962247625.db2.gz RFLHMEGJPJSDDL-KBPBESRZSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)[C@@H](C)CC ZINC001573341924 962247642 /nfs/dbraw/zinc/24/76/42/962247642.db2.gz RFLHMEGJPJSDDL-KBPBESRZSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)C/C(C)=C/c1ccccc1 ZINC001574901225 962331192 /nfs/dbraw/zinc/33/11/92/962331192.db2.gz CPRLVTVTSDUXJY-LCJXNMAOSA-N 0 3 286.419 3.232 20 30 CGEDHN CC#CC[C@H](N)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC001574962182 962334364 /nfs/dbraw/zinc/33/43/64/962334364.db2.gz GZCFETCIDKZJPM-HOTGVXAUSA-N 0 3 286.419 3.021 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H]1CCN1C1CCCC1 ZINC001586583466 963117310 /nfs/dbraw/zinc/11/73/10/963117310.db2.gz MKYKXYDBRWXTGO-MRXNPFEDSA-N 0 3 278.440 3.208 20 30 CGEDHN C=C(CNCc1n[nH]c2ccccc12)c1ccccc1 ZINC000589645836 346806944 /nfs/dbraw/zinc/80/69/44/346806944.db2.gz AQXYWMMSAQRNMN-UHFFFAOYSA-N 0 3 263.344 3.366 20 30 CGEDHN C=C(CNCc1[nH]nc2ccccc21)c1ccccc1 ZINC000589645836 346806946 /nfs/dbraw/zinc/80/69/46/346806946.db2.gz AQXYWMMSAQRNMN-UHFFFAOYSA-N 0 3 263.344 3.366 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337424905 214073647 /nfs/dbraw/zinc/07/36/47/214073647.db2.gz RZUZHYNTHJNMCP-KGLIPLIRSA-N 0 3 298.308 3.337 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cn3ccccc3n2)C1 ZINC000651668649 398265117 /nfs/dbraw/zinc/26/51/17/398265117.db2.gz SXIFBHRDNGBDBN-KBPBESRZSA-N 0 3 255.365 3.169 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(C[C@H](C)C2CCCCC2)CC1 ZINC000590168819 346834387 /nfs/dbraw/zinc/83/43/87/346834387.db2.gz HUYFABPDGDPYCD-WMZOPIPTSA-N 0 3 291.483 3.369 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651824261 398294043 /nfs/dbraw/zinc/29/40/43/398294043.db2.gz LMIMEXPJEGCGSF-WCQYABFASA-N 0 3 283.774 3.383 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)C(=O)Nc2cccnc2C)C1 ZINC000651827433 398294950 /nfs/dbraw/zinc/29/49/50/398294950.db2.gz DDYQBRSEJHGBQI-RRFJBIMHSA-N 0 3 287.407 3.051 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(CCC2=CCCCC2)CC1 ZINC000590709410 346866204 /nfs/dbraw/zinc/86/62/04/346866204.db2.gz UTAVVEMZMVZRIN-KRWDZBQOSA-N 0 3 275.440 3.043 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CC1(F)F ZINC000591255932 346912378 /nfs/dbraw/zinc/91/23/78/346912378.db2.gz IPLMNOXVIVUDBC-OPQQBVKSSA-N 0 3 250.292 3.253 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623237152 349770410 /nfs/dbraw/zinc/77/04/10/349770410.db2.gz RVUWIDOJKJDFGP-PBHICJAKSA-N 0 3 286.419 3.424 20 30 CGEDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(C)C#N)o1 ZINC000347720562 529718200 /nfs/dbraw/zinc/71/82/00/529718200.db2.gz JCXMLGIJEUBMGB-SCRDCRAPSA-N 0 3 274.364 3.301 20 30 CGEDHN C=CCCn1cc(CNCC[C@@H]2CCCC2(C)C)nn1 ZINC000623584051 349841074 /nfs/dbraw/zinc/84/10/74/349841074.db2.gz DEWSKHWSUBAHLU-AWEZNQCLSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2c(C(F)(F)F)cnn2C)C1 ZINC000623600522 349845988 /nfs/dbraw/zinc/84/59/88/349845988.db2.gz REQRUXIDROFZCL-QWRGUYRKSA-N 0 3 287.329 3.273 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592159587 346967817 /nfs/dbraw/zinc/96/78/17/346967817.db2.gz OZUDJLJEHFDEIF-ZDUSSCGKSA-N 0 3 280.412 3.122 20 30 CGEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)[C@@H]1SC ZINC000592173380 346968735 /nfs/dbraw/zinc/96/87/35/346968735.db2.gz RMEOJVCCVBAPCF-MPESAESLSA-N 0 3 290.432 3.118 20 30 CGEDHN CC(C)C[C@]1(C)CCCN1Cc1ccncc1C#N ZINC000592124337 346965134 /nfs/dbraw/zinc/96/51/34/346965134.db2.gz CNTHKWMTANVISP-INIZCTEOSA-N 0 3 257.381 3.354 20 30 CGEDHN CN(CCOc1cccc(C#N)c1)CCc1ccc(F)cc1 ZINC000055025917 345142181 /nfs/dbraw/zinc/14/21/81/345142181.db2.gz CQOPZWZRNNMRMT-UHFFFAOYSA-N 0 3 298.361 3.251 20 30 CGEDHN C=CCCC(=O)Nc1cccc(CN(CC)CC)c1 ZINC000060364917 345214671 /nfs/dbraw/zinc/21/46/71/345214671.db2.gz CRQFZNFOLXTXNY-UHFFFAOYSA-N 0 3 260.381 3.433 20 30 CGEDHN CCc1cc(C#N)c(NC(=O)C(C)C(F)(F)F)s1 ZINC000074721825 345479247 /nfs/dbraw/zinc/47/92/47/345479247.db2.gz NAKNZVZPRLWEGV-LURJTMIESA-N 0 3 276.283 3.319 20 30 CGEDHN COc1ccccc1C[C@@H](C)N(C)CC1(CC#N)CC1 ZINC000088259578 345758454 /nfs/dbraw/zinc/75/84/54/345758454.db2.gz RLXMPYDEGVTVHU-CQSZACIVSA-N 0 3 272.392 3.252 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000111693140 345950915 /nfs/dbraw/zinc/95/09/15/345950915.db2.gz AQZVOSSQFAJSKQ-SOUVJXGZSA-N 0 3 278.440 3.062 20 30 CGEDHN C[C@@H](NCCOc1ccccc1F)c1ccc(C#N)cc1 ZINC000118391014 345989137 /nfs/dbraw/zinc/98/91/37/345989137.db2.gz IDSNWCJLKFYIEQ-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN N#Cc1cc(OCCN2CCCCC2)ccc1C(F)(F)F ZINC000164501963 346182361 /nfs/dbraw/zinc/18/23/61/346182361.db2.gz NRQGNKBSTOCSOS-UHFFFAOYSA-N 0 3 298.308 3.442 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2CCC3(CCCC3)O2)c1 ZINC000229274320 346317242 /nfs/dbraw/zinc/31/72/42/346317242.db2.gz QAIDOEBASUVDDQ-INIZCTEOSA-N 0 3 270.376 3.140 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](NCC2(C#N)CCCC2)CS1 ZINC000593654785 347100927 /nfs/dbraw/zinc/10/09/27/347100927.db2.gz OHNBZFAQCWCTFT-OLZOCXBDSA-N 0 3 252.427 3.190 20 30 CGEDHN CC[C@@H]1COC(C)(C)CN1Cc1ccc(CC#N)cc1 ZINC000403887752 346598316 /nfs/dbraw/zinc/59/83/16/346598316.db2.gz PVLUWZVMUASDDX-MRXNPFEDSA-N 0 3 272.392 3.142 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000589104067 346783270 /nfs/dbraw/zinc/78/32/70/346783270.db2.gz TVCRGFCGAYWFCJ-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN C=CCC[C@@H](CC)NCc1ccc(C(=O)OCC)o1 ZINC000589198049 346789601 /nfs/dbraw/zinc/78/96/01/346789601.db2.gz SAIADONPYPLHHN-GFCCVEGCSA-N 0 3 265.353 3.291 20 30 CGEDHN CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000594023403 347139146 /nfs/dbraw/zinc/13/91/46/347139146.db2.gz CUUYXSAZKSLWQC-UHFFFAOYSA-N 0 3 293.798 3.271 20 30 CGEDHN CC(C)OC(=O)C[C@@H](NCc1ccc(C#N)cc1)C(C)C ZINC000594042019 347143115 /nfs/dbraw/zinc/14/31/15/347143115.db2.gz BUNJDTUOBWSMFH-MRXNPFEDSA-N 0 3 288.391 3.014 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1OC)[C@@H]1CCCCO1 ZINC000594045509 347144063 /nfs/dbraw/zinc/14/40/63/347144063.db2.gz YXGJUAPCIQCMEL-HOTGVXAUSA-N 0 3 288.391 3.004 20 30 CGEDHN CN(C)Cc1ccc(-c2noc(CCCCC#N)n2)cc1 ZINC000594532867 347190487 /nfs/dbraw/zinc/19/04/87/347190487.db2.gz FUPRRQALFDDEBR-UHFFFAOYSA-N 0 3 284.363 3.035 20 30 CGEDHN CCCCC1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594431707 347174523 /nfs/dbraw/zinc/17/45/23/347174523.db2.gz PXDNAWNZJDAGOG-UYSNPLJNSA-N 0 3 293.455 3.263 20 30 CGEDHN CCC(CC)N(CC(C)C)C(=O)[C@H](N)CCCCC#N ZINC000594445713 347174538 /nfs/dbraw/zinc/17/45/38/347174538.db2.gz KNLRUUQPOXHNIR-OAHLLOKOSA-N 0 3 281.444 3.071 20 30 CGEDHN C[C@@H](CCC1CCCCC1)NC(=O)[C@@H](N)CCCCC#N ZINC000594447911 347174882 /nfs/dbraw/zinc/17/48/82/347174882.db2.gz XMGAFROHABSDBS-HOCLYGCPSA-N 0 3 293.455 3.263 20 30 CGEDHN COc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594494521 347177697 /nfs/dbraw/zinc/17/76/97/347177697.db2.gz HFYIZVLDAVYGLF-UHFFFAOYSA-N 0 3 295.386 3.181 20 30 CGEDHN CO[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000594515501 347185604 /nfs/dbraw/zinc/18/56/04/347185604.db2.gz VUGNOHVBIVIRCU-INIZCTEOSA-N 0 3 274.408 3.248 20 30 CGEDHN CC(C)[C@@H](O)[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000594990799 347250427 /nfs/dbraw/zinc/25/04/27/347250427.db2.gz AIVZLOGGYDTRPB-RBUKOAKNSA-N 0 3 294.398 3.406 20 30 CGEDHN C=CCSCCNCc1cc(F)ccc1OC(F)F ZINC000594919726 347229574 /nfs/dbraw/zinc/22/95/74/347229574.db2.gz KDZJZKXFYBWENO-UHFFFAOYSA-N 0 3 291.338 3.436 20 30 CGEDHN C=CCCC(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000594998454 347252880 /nfs/dbraw/zinc/25/28/80/347252880.db2.gz HBLXJEVDDCCIJX-UHFFFAOYSA-N 0 3 254.355 3.491 20 30 CGEDHN N#Cc1ccc(CNCCCc2ccco2)c(F)c1 ZINC000594998740 347253127 /nfs/dbraw/zinc/25/31/27/347253127.db2.gz ZVRQGBHRPJKANQ-UHFFFAOYSA-N 0 3 258.296 3.013 20 30 CGEDHN Cc1ccncc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594952268 347239299 /nfs/dbraw/zinc/23/92/99/347239299.db2.gz FQAXTPGQEIOQHA-UHFFFAOYSA-N 0 3 277.371 3.235 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@H]2COC(C)(C)C2)cc1 ZINC000594952345 347239574 /nfs/dbraw/zinc/23/95/74/347239574.db2.gz CINDGHJPLGXXDF-OAHLLOKOSA-N 0 3 272.392 3.145 20 30 CGEDHN C=CCCSCCNCc1ccnn1-c1ccccc1 ZINC000594959760 347240991 /nfs/dbraw/zinc/24/09/91/347240991.db2.gz CEJNPHFJFSPVLR-UHFFFAOYSA-N 0 3 287.432 3.271 20 30 CGEDHN C[C@H]1N(C(=O)[C@H](N)CCCCC#N)c2ccccc2C1(C)C ZINC000595258173 347286277 /nfs/dbraw/zinc/28/62/77/347286277.db2.gz RKKCHSBGEFGXLZ-UKRRQHHQSA-N 0 3 299.418 3.111 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014038 347257302 /nfs/dbraw/zinc/25/73/02/347257302.db2.gz LEZHDKGCMALENV-NSHDSACASA-N 0 3 296.392 3.173 20 30 CGEDHN COC1([C@H](C)NCc2ccc(C#N)c(Cl)c2)CCC1 ZINC000595037552 347265463 /nfs/dbraw/zinc/26/54/63/347265463.db2.gz BJRIJBTUCPBGOW-NSHDSACASA-N 0 3 278.783 3.259 20 30 CGEDHN CC1(C)C[C@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000595047007 347268919 /nfs/dbraw/zinc/26/89/19/347268919.db2.gz PXQXTBAUZKLSFM-HNNXBMFYSA-N 0 3 270.376 3.095 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000595057116 347272787 /nfs/dbraw/zinc/27/27/87/347272787.db2.gz ACOQDBGLNFNTFM-ZDUSSCGKSA-N 0 3 267.442 3.424 20 30 CGEDHN C=CCCSCCN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000595058725 347273370 /nfs/dbraw/zinc/27/33/70/347273370.db2.gz KBWIEAAUWCRXJK-LLVKDONJSA-N 0 3 292.404 3.493 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cnc(C)nc1C ZINC000595058289 347273464 /nfs/dbraw/zinc/27/34/64/347273464.db2.gz GSKYFPMNYNJPCM-NSHDSACASA-N 0 3 265.426 3.053 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000595060576 347273981 /nfs/dbraw/zinc/27/39/81/347273981.db2.gz VUCOJSOCDXUMFV-ZDUSSCGKSA-N 0 3 293.432 3.418 20 30 CGEDHN C[C@@H](COc1c(F)cccc1F)N[C@H]1CCC[C@@H](C#N)C1 ZINC000595073636 347277312 /nfs/dbraw/zinc/27/73/12/347277312.db2.gz WRZXHTKWWAQIJR-XQQFMLRXSA-N 0 3 294.345 3.404 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccc(O)cc32)C1 ZINC000595087788 347280399 /nfs/dbraw/zinc/28/03/99/347280399.db2.gz DOMXCPVRCCQVFV-AXAPSJFSSA-N 0 3 256.349 3.051 20 30 CGEDHN CC(C)(C)OC1CC(NCC2(C#N)CCCCC2)C1 ZINC000595092085 347280958 /nfs/dbraw/zinc/28/09/58/347280958.db2.gz WEWMHAOSWWXAKP-UHFFFAOYSA-N 0 3 264.413 3.396 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC000595099302 347283361 /nfs/dbraw/zinc/28/33/61/347283361.db2.gz KSRRJOOUMUSSBQ-CMPLNLGQSA-N 0 3 294.301 3.180 20 30 CGEDHN CCC(C)(C)[C@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595643246 347332526 /nfs/dbraw/zinc/33/25/26/347332526.db2.gz WIRQGJRLYXYCJA-NSHDSACASA-N 0 3 275.352 3.381 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000595658728 347334142 /nfs/dbraw/zinc/33/41/42/347334142.db2.gz INLSDGDTUCATIS-ZDUSSCGKSA-N 0 3 260.337 3.383 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCC2(C#N)CCC2)C12CCC2 ZINC000595777609 347354061 /nfs/dbraw/zinc/35/40/61/347354061.db2.gz IAXSXXHMOPYQEA-UONOGXRCSA-N 0 3 276.424 3.396 20 30 CGEDHN Cn1nccc1[C@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC000595476828 347309297 /nfs/dbraw/zinc/30/92/97/347309297.db2.gz SUVAJMLRYZJZTJ-GOSISDBHSA-N 0 3 294.402 3.061 20 30 CGEDHN C[C@@]12CCN(CCc3ccc(C#N)cc3)C[C@@H]1C2(F)F ZINC000595499465 347312017 /nfs/dbraw/zinc/31/20/17/347312017.db2.gz NVLMKWDLHCPIPS-LSDHHAIUSA-N 0 3 276.330 3.078 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@H](c2ccccn2)C1 ZINC000595503351 347312306 /nfs/dbraw/zinc/31/23/06/347312306.db2.gz SNFZNPWJMPYBJQ-CQSZACIVSA-N 0 3 257.381 3.201 20 30 CGEDHN CCN(CCSC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597157347 347541657 /nfs/dbraw/zinc/54/16/57/347541657.db2.gz GKNLYOQPIKUMFQ-UHFFFAOYSA-N 0 3 274.433 3.427 20 30 CGEDHN CC(C)[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598381582 347652060 /nfs/dbraw/zinc/65/20/60/347652060.db2.gz OWVUDBDCSGOKOM-IRXDYDNUSA-N 0 3 284.403 3.310 20 30 CGEDHN CC(=O)N1CC[C@@H](NCC(C)(C)CC#N)c2ccccc21 ZINC000598678970 347677717 /nfs/dbraw/zinc/67/77/17/347677717.db2.gz BPVMWYANKKXLAL-OAHLLOKOSA-N 0 3 285.391 3.014 20 30 CGEDHN CCSc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598727144 347683466 /nfs/dbraw/zinc/68/34/66/347683466.db2.gz DDCVIJLCUHOKIH-CQSZACIVSA-N 0 3 292.448 3.189 20 30 CGEDHN CCC[C@@H](CNCc1ccc(C#N)c(C)c1)OCC ZINC000598988840 347704357 /nfs/dbraw/zinc/70/43/57/347704357.db2.gz CJVJBAOCHUHGIA-INIZCTEOSA-N 0 3 260.381 3.162 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCCCC[C@H]1c1ccco1 ZINC000598592797 347668492 /nfs/dbraw/zinc/66/84/92/347668492.db2.gz NGZGCFBVWOUUCL-GJZGRUSLSA-N 0 3 290.407 3.497 20 30 CGEDHN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598602194 347669926 /nfs/dbraw/zinc/66/99/26/347669926.db2.gz LOISIOAFEKVLQJ-WFASDCNBSA-N 0 3 296.361 3.306 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@H]1c1cccs1 ZINC000598618362 347671367 /nfs/dbraw/zinc/67/13/67/347671367.db2.gz WTENBPWGWUSXRK-GXTWGEPZSA-N 0 3 292.448 3.432 20 30 CGEDHN CSc1ccccc1CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598612273 347671520 /nfs/dbraw/zinc/67/15/20/347671520.db2.gz UPBIADQAQDKMOA-CQSZACIVSA-N 0 3 292.448 3.141 20 30 CGEDHN Cc1nc(CCN2CCc3c(CC#N)cccc3C2)cs1 ZINC000599677545 347763965 /nfs/dbraw/zinc/76/39/65/347763965.db2.gz LJQAPFDWBUFAHK-UHFFFAOYSA-N 0 3 297.427 3.118 20 30 CGEDHN CC(C)=CCCN1CCc2c(CC#N)cccc2C1 ZINC000599678936 347765183 /nfs/dbraw/zinc/76/51/83/347765183.db2.gz UAKWZUFCHWGTPQ-UHFFFAOYSA-N 0 3 254.377 3.467 20 30 CGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1Cl ZINC000599311443 347734253 /nfs/dbraw/zinc/73/42/53/347734253.db2.gz IEDLPNFKKQUJCC-RYUDHWBXSA-N 0 3 278.783 3.045 20 30 CGEDHN Cc1ccc(CN[C@@H](C)c2cccnc2)cc1C#N ZINC000599344623 347737650 /nfs/dbraw/zinc/73/76/50/347737650.db2.gz GQCRDQRDWWRQJK-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN CCO[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000599342743 347737782 /nfs/dbraw/zinc/73/77/82/347737782.db2.gz UPGUBABFXIRYDO-IBGZPJMESA-N 0 3 296.414 3.462 20 30 CGEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599355586 347738781 /nfs/dbraw/zinc/73/87/81/347738781.db2.gz BOTSNXYAXFVEKQ-IUODEOHRSA-N 0 3 294.345 3.060 20 30 CGEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)s1 ZINC000599359238 347739746 /nfs/dbraw/zinc/73/97/46/347739746.db2.gz MAULVIIUCGROBS-QWRGUYRKSA-N 0 3 298.839 3.497 20 30 CGEDHN CC1(C)CCC[C@](CO)(NCc2cccc(C#N)c2F)C1 ZINC000599593939 347757072 /nfs/dbraw/zinc/75/70/72/347757072.db2.gz HJFUTBNUTIAAAY-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN N#Cc1cc(-c2cccc(C3CC[NH2+]CC3)c2)ccc1[O-] ZINC000600780441 347834203 /nfs/dbraw/zinc/83/42/03/347834203.db2.gz RUJIEMYBORMMEV-UHFFFAOYSA-N 0 3 278.355 3.398 20 30 CGEDHN N#Cc1cc(-c2cccc(C[C@@H]3CC[NH2+]C3)c2)ccc1[O-] ZINC000600779565 347834218 /nfs/dbraw/zinc/83/42/18/347834218.db2.gz GOBMROIMKGLEBC-AWEZNQCLSA-N 0 3 278.355 3.083 20 30 CGEDHN COc1cc(Cl)c(CNCCCCC#N)cc1OC ZINC000601105184 347869608 /nfs/dbraw/zinc/86/96/08/347869608.db2.gz CRIPHUGJLARKLH-UHFFFAOYSA-N 0 3 282.771 3.141 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CCC2)[C@H]2CCCO2)s1 ZINC000601155631 347876315 /nfs/dbraw/zinc/87/63/15/347876315.db2.gz CJJHDRPYCPUNLX-CABCVRRESA-N 0 3 276.405 3.057 20 30 CGEDHN CCC[C@H](CCc1ccccc1)N1CCN(CCC#N)CC1 ZINC000601316446 347891203 /nfs/dbraw/zinc/89/12/03/347891203.db2.gz ZONGAKLDGCASQZ-LJQANCHMSA-N 0 3 299.462 3.319 20 30 CGEDHN C[C@]1(CNCc2cccc(F)c2C#N)CCCS1 ZINC000602014009 347932364 /nfs/dbraw/zinc/93/23/64/347932364.db2.gz PZJMRBHGKGDIHI-CQSZACIVSA-N 0 3 264.369 3.073 20 30 CGEDHN CS[C@H]1CCC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000602006344 347932776 /nfs/dbraw/zinc/93/27/76/347932776.db2.gz JZCUTPNKVNHWLN-STQMWFEESA-N 0 3 278.396 3.461 20 30 CGEDHN CC[C@H](C)[C@H](CN(C)Cc1cccc(C#N)c1)OC ZINC000602438795 347958410 /nfs/dbraw/zinc/95/84/10/347958410.db2.gz AOIBNSNKTWNXMI-BBRMVZONSA-N 0 3 260.381 3.051 20 30 CGEDHN C[C@@H](CCC#N)CN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000602470997 347963985 /nfs/dbraw/zinc/96/39/85/347963985.db2.gz AUVDKJPNUVOLNZ-RDJZCZTQSA-N 0 3 299.418 3.054 20 30 CGEDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602475486 347964898 /nfs/dbraw/zinc/96/48/98/347964898.db2.gz BVEVMGNYRNRXDO-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H](CCC#N)CN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000602483558 347967092 /nfs/dbraw/zinc/96/70/92/347967092.db2.gz MPSAMWGGNFVFOR-JZKQVHKSSA-N 0 3 292.448 3.357 20 30 CGEDHN N#CCC[C@H](NC1CC(n2cccn2)C1)c1ccccc1 ZINC000602583663 347988578 /nfs/dbraw/zinc/98/85/78/347988578.db2.gz SSPAQPHJCQKPFP-JCYILVPMSA-N 0 3 280.375 3.221 20 30 CGEDHN CC[C@@](C)(CN[C@@H](CCC#N)c1ccccc1)OC ZINC000602584015 347988669 /nfs/dbraw/zinc/98/86/69/347988669.db2.gz VWTPMPLPCIPDEB-HOTGVXAUSA-N 0 3 260.381 3.436 20 30 CGEDHN CC1(C#N)CCN(C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000602608474 347993129 /nfs/dbraw/zinc/99/31/29/347993129.db2.gz VKSDDONXMHCHOA-INIZCTEOSA-N 0 3 283.419 3.139 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000602627518 347997167 /nfs/dbraw/zinc/99/71/67/347997167.db2.gz FQLGFXLWQRXCHF-DLBZAZTESA-N 0 3 291.398 3.454 20 30 CGEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)[C@@H]1CC1(F)F ZINC000602638708 347998537 /nfs/dbraw/zinc/99/85/37/347998537.db2.gz GFNZLDKFCGLZSM-HERUPUMHSA-N 0 3 262.303 3.179 20 30 CGEDHN C[C@@H](CCC#N)CNc1cccc2c1OCC[C@@H]2N(C)C ZINC000602638819 347998545 /nfs/dbraw/zinc/99/85/45/347998545.db2.gz FLWPIBHNRKOULK-BBRMVZONSA-N 0 3 287.407 3.424 20 30 CGEDHN COc1ccc2c(c1)C1(CC1)CN(C[C@@H](C)CCC#N)C2 ZINC000602665860 348004278 /nfs/dbraw/zinc/00/42/78/348004278.db2.gz DHOSFNPAZLLHMV-AWEZNQCLSA-N 0 3 284.403 3.482 20 30 CGEDHN C[C@@H](CCC#N)CN1CC(Cc2ccc(F)c(F)c2)C1 ZINC000602688076 348009689 /nfs/dbraw/zinc/00/96/89/348009689.db2.gz JZGSAJZREIGBDN-LBPRGKRZSA-N 0 3 278.346 3.379 20 30 CGEDHN N#CCC1(CN(CCC(F)(F)F)CC2CC2)CC1 ZINC000602787100 348029466 /nfs/dbraw/zinc/02/94/66/348029466.db2.gz HURNSEMPNHEMEJ-UHFFFAOYSA-N 0 3 260.303 3.345 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602719144 348016643 /nfs/dbraw/zinc/01/66/43/348016643.db2.gz YDOSCEQUZCCLPB-CVEARBPZSA-N 0 3 299.418 3.169 20 30 CGEDHN N#CCC1(CN2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000602771877 348026636 /nfs/dbraw/zinc/02/66/36/348026636.db2.gz HTTHHLCDUQJATE-AWEZNQCLSA-N 0 3 258.340 3.309 20 30 CGEDHN N#CCC1(CN[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000602804290 348031203 /nfs/dbraw/zinc/03/12/03/348031203.db2.gz FMLITKAFNRCAIJ-HOTGVXAUSA-N 0 3 270.376 3.048 20 30 CGEDHN CCC[C@@H](C)CCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849719 348036136 /nfs/dbraw/zinc/03/61/36/348036136.db2.gz MUSUSVDMSZIGCL-OAGGEKHMSA-N 0 3 265.445 3.121 20 30 CGEDHN N#CCC1(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)CC1 ZINC000602851995 348036464 /nfs/dbraw/zinc/03/64/64/348036464.db2.gz MGSHSPDSDAUCNG-SFHVURJKSA-N 0 3 298.430 3.343 20 30 CGEDHN CC1(C)CO[C@@H](CNC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000602873036 348039400 /nfs/dbraw/zinc/03/94/00/348039400.db2.gz GULBTQNIKVVYKK-MRXNPFEDSA-N 0 3 284.403 3.342 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(c2ccc(F)cn2)CC1 ZINC000602904803 348042558 /nfs/dbraw/zinc/04/25/58/348042558.db2.gz ODIRVVKAMQTTGI-LBPRGKRZSA-N 0 3 261.344 3.092 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NCc1sccc1C ZINC000606902238 348206694 /nfs/dbraw/zinc/20/66/94/348206694.db2.gz CYKHOLWLQJHSRI-UHFFFAOYSA-N 0 3 294.464 3.351 20 30 CGEDHN N#Cc1c(CN2CCC[C@H]2C2CC2)cn2ccccc12 ZINC000609133666 348337105 /nfs/dbraw/zinc/33/71/05/348337105.db2.gz QQORXRUJXGLUPH-INIZCTEOSA-N 0 3 265.360 3.185 20 30 CGEDHN N#Cc1ccc(CNCCN2CCCc3ccccc32)s1 ZINC000610511933 348386729 /nfs/dbraw/zinc/38/67/29/348386729.db2.gz OXELTUTYJFDVNJ-UHFFFAOYSA-N 0 3 297.427 3.162 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000609921035 348358367 /nfs/dbraw/zinc/35/83/67/348358367.db2.gz GAIFNAYZDVTXNS-STQMWFEESA-N 0 3 288.391 3.027 20 30 CGEDHN C[C@H](Cc1ccoc1)NCc1ccc(C#N)cc1F ZINC000610947046 348411211 /nfs/dbraw/zinc/41/12/11/348411211.db2.gz AGBNHCMTBIGGPQ-LLVKDONJSA-N 0 3 258.296 3.011 20 30 CGEDHN Cc1ccccc1[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610992143 348415306 /nfs/dbraw/zinc/41/53/06/348415306.db2.gz DFAIURGMGQRWIM-MRXNPFEDSA-N 0 3 277.371 3.251 20 30 CGEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccnc(C#N)c2)C1 ZINC000610993967 348416180 /nfs/dbraw/zinc/41/61/80/348416180.db2.gz OUBHEHMPSZYDHZ-GJZGRUSLSA-N 0 3 275.421 3.059 20 30 CGEDHN C=CCC[C@H](C)NCc1cc(Br)cnc1OC ZINC000624133633 349986536 /nfs/dbraw/zinc/98/65/36/349986536.db2.gz RYKDHAIBPIGESF-JTQLQIEISA-N 0 3 299.212 3.297 20 30 CGEDHN N#CC(C(=O)NC1CCCCC1)c1ccc2ccccc2n1 ZINC000611249145 348430721 /nfs/dbraw/zinc/43/07/21/348430721.db2.gz PUEZMWZVOJSAMF-OAHLLOKOSA-N 0 3 293.370 3.291 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000611399446 348447041 /nfs/dbraw/zinc/44/70/41/348447041.db2.gz PFHXMFHXOPLAJM-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN CC1(C#N)CCN(Cc2nccc3ccccc32)CC1 ZINC000611561326 348461191 /nfs/dbraw/zinc/46/11/91/348461191.db2.gz GHIJPXGCXDBHEP-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN Cc1ccnc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1C#N ZINC000273391577 192136421 /nfs/dbraw/zinc/13/64/21/192136421.db2.gz UYPOTLJVGXFWBZ-IAGOWNOFSA-N 0 3 292.386 3.119 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174582 348499993 /nfs/dbraw/zinc/49/99/93/348499993.db2.gz JIPIAACUMUDRLO-OAHLLOKOSA-N 0 3 276.355 3.219 20 30 CGEDHN CCCC[C@@H](CC)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000612823076 348548386 /nfs/dbraw/zinc/54/83/86/348548386.db2.gz JALMFJNMMUMNJG-SJORKVTESA-N 0 3 279.472 3.369 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCSCC2)cc1 ZINC000614159630 348653493 /nfs/dbraw/zinc/65/34/93/348653493.db2.gz JGHZPHPJNLIRBK-UHFFFAOYSA-N 0 3 260.406 3.037 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000614186048 348656596 /nfs/dbraw/zinc/65/65/96/348656596.db2.gz NJXZMVMQNUPITJ-UHFFFAOYSA-N 0 3 298.430 3.490 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cn1)C1CCC(F)(F)CC1 ZINC000616092112 348785736 /nfs/dbraw/zinc/78/57/36/348785736.db2.gz HUGZONPYWDQFKW-LLVKDONJSA-N 0 3 279.334 3.257 20 30 CGEDHN CCS[C@@H]1CCCC[C@H]1NCc1ccnc(C#N)c1 ZINC000615799224 348766340 /nfs/dbraw/zinc/76/63/40/348766340.db2.gz IDTBRHLTGKKZIS-HUUCEWRRSA-N 0 3 275.421 3.107 20 30 CGEDHN COC1(C[C@H](C)NCc2ccc(C#N)cc2F)CCC1 ZINC000617574365 348976262 /nfs/dbraw/zinc/97/62/62/348976262.db2.gz GEUUOFGMQYBUGW-LBPRGKRZSA-N 0 3 276.355 3.135 20 30 CGEDHN CO[C@@H]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358561265 233154918 /nfs/dbraw/zinc/15/49/18/233154918.db2.gz GDQVPSVBFDIXMZ-PVXIVEMSSA-N 0 3 276.355 3.163 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618568099 349107180 /nfs/dbraw/zinc/10/71/80/349107180.db2.gz NDPJYXASVSETIO-GMXVVIOVSA-N 0 3 284.363 3.001 20 30 CGEDHN CCCC(=O)NC1CCN(CCCCC(C)(C)C#N)CC1 ZINC000618275020 349064890 /nfs/dbraw/zinc/06/48/90/349064890.db2.gz RQZPPSPAFIVVHS-UHFFFAOYSA-N 0 3 293.455 3.087 20 30 CGEDHN CC[C@H](C)c1nc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000618578064 349110548 /nfs/dbraw/zinc/11/05/48/349110548.db2.gz YATMURZJVFYIPF-WUHRBBMRSA-N 0 3 275.400 3.051 20 30 CGEDHN C[C@H](CCC#N)CN1CCN([C@H](C)c2ccsc2)CC1 ZINC000618887829 349175629 /nfs/dbraw/zinc/17/56/29/349175629.db2.gz KWSWDFMCSOMKBK-HUUCEWRRSA-N 0 3 291.464 3.367 20 30 CGEDHN N#C[C@H]1CC[C@H](NC2(c3ccc(F)cc3)CCC2)C1 ZINC000619673455 349269754 /nfs/dbraw/zinc/26/97/54/349269754.db2.gz MBPMMHSNVBHFKL-WFASDCNBSA-N 0 3 258.340 3.487 20 30 CGEDHN CC1(C)SC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000619823330 349286189 /nfs/dbraw/zinc/28/61/89/349286189.db2.gz REAWKBFFTDVOGD-GJZGRUSLSA-N 0 3 272.417 3.419 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000625700774 350198967 /nfs/dbraw/zinc/19/89/67/350198967.db2.gz LSGIQWUXEQDMQF-AWEZNQCLSA-N 0 3 284.407 3.410 20 30 CGEDHN CC#CCCN1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626126749 350266953 /nfs/dbraw/zinc/26/69/53/350266953.db2.gz WJDTYVGJJCGHCG-AWEZNQCLSA-N 0 3 261.340 3.037 20 30 CGEDHN C=CC[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000628490734 350557442 /nfs/dbraw/zinc/55/74/42/350557442.db2.gz FZLXDGXHWKAXKE-WBVHZDCISA-N 0 3 286.419 3.104 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@H](C)CCSC ZINC000123076013 187069577 /nfs/dbraw/zinc/06/95/77/187069577.db2.gz ZOGAMRHRJFLILD-GFCCVEGCSA-N 0 3 278.421 3.140 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000122525785 187036418 /nfs/dbraw/zinc/03/64/18/187036418.db2.gz ISZSSTLBENQMHZ-STQMWFEESA-N 0 3 258.365 3.045 20 30 CGEDHN COCC[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000364248869 234027880 /nfs/dbraw/zinc/02/78/80/234027880.db2.gz BKDXXALVWGXQTN-CYBMUJFWSA-N 0 3 278.421 3.258 20 30 CGEDHN C[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000156638792 188273968 /nfs/dbraw/zinc/27/39/68/188273968.db2.gz CHWCQJHDWLYOHT-JVPBZIDWSA-N 0 3 292.382 3.285 20 30 CGEDHN CC(C)(C#N)CCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000157576785 188325610 /nfs/dbraw/zinc/32/56/10/188325610.db2.gz UCQDXVUGSTZAMV-UHFFFAOYSA-N 0 3 299.418 3.277 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc(Cl)c1 ZINC000271682955 191275991 /nfs/dbraw/zinc/27/59/91/191275991.db2.gz KEUAFMOYLKMBJN-RISCZKNCSA-N 0 3 253.773 3.318 20 30 CGEDHN COc1ccccc1[C@H](C)NCCOc1ccccc1C#N ZINC000271690721 191278584 /nfs/dbraw/zinc/27/85/84/191278584.db2.gz LRCIVOLSGCNLRD-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C=CCC[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158553115 188382118 /nfs/dbraw/zinc/38/21/18/188382118.db2.gz VNYCCCNQOMXEIU-HUUCEWRRSA-N 0 3 295.448 3.102 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(OC3CCCCC3)CC2)C1 ZINC000336595706 283067187 /nfs/dbraw/zinc/06/71/87/283067187.db2.gz GRDKYBXEVKBPSE-GJZGRUSLSA-N 0 3 276.424 3.492 20 30 CGEDHN C[C@@H](NC[C@](C)(O)c1cccs1)c1ccc(C#N)cc1 ZINC000271820701 191346470 /nfs/dbraw/zinc/34/64/70/191346470.db2.gz CGPOMHGONOEQHH-WBMJQRKESA-N 0 3 286.400 3.178 20 30 CGEDHN N#Cc1cccc(C2(NCCOc3ccccc3)CC2)c1 ZINC000271823483 191349467 /nfs/dbraw/zinc/34/94/67/191349467.db2.gz SJVHPHVPSPQOMQ-UHFFFAOYSA-N 0 3 278.355 3.216 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H](O)c1cccc(F)c1)c1cccc(C#N)c1 ZINC000271840979 191361627 /nfs/dbraw/zinc/36/16/27/191361627.db2.gz GRPNJKCOITUQKF-ZJNRKIDTSA-N 0 3 298.361 3.470 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cccc(C#N)c1 ZINC000414342817 235392120 /nfs/dbraw/zinc/39/21/20/235392120.db2.gz JKWWZMOYMAZSSP-NILFDRSVSA-N 0 3 252.317 3.358 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCC[C@H]1F)CC2 ZINC000414315481 283197736 /nfs/dbraw/zinc/19/77/36/283197736.db2.gz SDPPNDKZZISWQN-OWCLPIDISA-N 0 3 258.340 3.416 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCc3ccccc3OC2)c1 ZINC000337829273 283206438 /nfs/dbraw/zinc/20/64/38/283206438.db2.gz UZUKIFHWLMVUAJ-QGZVFWFLSA-N 0 3 278.355 3.042 20 30 CGEDHN C[C@H]1CC[C@H](C)N(CCOc2ccccc2C#N)C1 ZINC000088704530 138342845 /nfs/dbraw/zinc/34/28/45/138342845.db2.gz XBVVMQWAFTYMEB-KBPBESRZSA-N 0 3 258.365 3.057 20 30 CGEDHN C[C@H]1CCCC[C@@H]1OCCNCc1ccc(C#N)s1 ZINC000176951878 189016382 /nfs/dbraw/zinc/01/63/82/189016382.db2.gz GWNYDOXQQKGOBL-WFASDCNBSA-N 0 3 278.421 3.305 20 30 CGEDHN N#Cc1ccc(CNCCCOC2CCCC2)s1 ZINC000176958774 189017114 /nfs/dbraw/zinc/01/71/14/189017114.db2.gz MOSXFBBQMFUSRD-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN N#Cc1ccc([C@H](O)CNC2(c3ccccc3)CCC2)cc1 ZINC000177696642 189063833 /nfs/dbraw/zinc/06/38/33/189063833.db2.gz AEWOEMMQOGPHNZ-GOSISDBHSA-N 0 3 292.382 3.261 20 30 CGEDHN C=CCOc1ccc(CN(C)CC2CC(O)C2)cc1Cl ZINC000191165507 542258146 /nfs/dbraw/zinc/25/81/46/542258146.db2.gz FBELACQFKBFPRZ-UHFFFAOYSA-N 0 3 295.810 3.108 20 30 CGEDHN C=C[C@@H](CC(=O)N(CCN(C)C)C(C)C)c1ccccc1 ZINC000179496308 189198074 /nfs/dbraw/zinc/19/80/74/189198074.db2.gz XBZHJSKJITWKHD-INIZCTEOSA-N 0 3 288.435 3.145 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179677348 189212785 /nfs/dbraw/zinc/21/27/85/189212785.db2.gz KGXCPEIDKWVGGL-GOEBONIOSA-N 0 3 277.408 3.452 20 30 CGEDHN N#Cc1ccc(CN(Cc2ccc(CO)cc2)C2CC2)cc1 ZINC000182698244 189332298 /nfs/dbraw/zinc/33/22/98/189332298.db2.gz XEJLEYQDVRVYEJ-UHFFFAOYSA-N 0 3 292.382 3.215 20 30 CGEDHN CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000183064227 189344990 /nfs/dbraw/zinc/34/49/90/189344990.db2.gz IVOKBIXIMZVLFN-JLLWLGSASA-N 0 3 291.395 3.119 20 30 CGEDHN CC(C)[C@H](CO)[C@@H](NCc1ccc(F)cc1C#N)C(C)C ZINC000451615698 240335869 /nfs/dbraw/zinc/33/58/69/240335869.db2.gz QGVKXLBGQQTQBD-IRXDYDNUSA-N 0 3 292.398 3.076 20 30 CGEDHN C=CCCOCCNCc1csc(Br)c1 ZINC000120836479 370804670 /nfs/dbraw/zinc/80/46/70/370804670.db2.gz CBUMKLFGUUSGJK-UHFFFAOYSA-N 0 3 290.226 3.193 20 30 CGEDHN C=CCN(C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000121624957 370879874 /nfs/dbraw/zinc/87/98/74/370879874.db2.gz DCSFKTVAMJECGD-UHFFFAOYSA-N 0 3 277.755 3.050 20 30 CGEDHN C=C(C)CNCc1cc(Cl)c(OC)c(OC)c1 ZINC000122565687 370906173 /nfs/dbraw/zinc/90/61/73/370906173.db2.gz UBPIGFAZQLHMDE-UHFFFAOYSA-N 0 3 255.745 3.023 20 30 CGEDHN C=CCOc1cccc(CN(CC)C[C@@H](C)OC)c1 ZINC000361015438 261148430 /nfs/dbraw/zinc/14/84/30/261148430.db2.gz BJSZASRZNQMHNJ-CQSZACIVSA-N 0 3 263.381 3.108 20 30 CGEDHN N#Cc1cccc(C2(NC[C@@H](O)CC3CCCC3)CC2)c1 ZINC000276411017 193320886 /nfs/dbraw/zinc/32/08/86/193320886.db2.gz MGFJIJQVEYUKAP-KRWDZBQOSA-N 0 3 284.403 3.078 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1)[C@@H]1C=CCCC1 ZINC000066496996 369695995 /nfs/dbraw/zinc/69/59/95/369695995.db2.gz GRDDTFAQDLINPK-QGZVFWFLSA-N 0 3 270.376 3.115 20 30 CGEDHN N#Cc1cc(Cl)ccc1NC1CCN(C2CC2)CC1 ZINC000069896861 369775185 /nfs/dbraw/zinc/77/51/85/369775185.db2.gz AQDPDKDAAIXNBQ-UHFFFAOYSA-N 0 3 275.783 3.250 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000074334993 369874963 /nfs/dbraw/zinc/87/49/63/369874963.db2.gz JRYDFYYSWUOSGX-ZDUSSCGKSA-N 0 3 296.370 3.426 20 30 CGEDHN CC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCS1 ZINC000076071765 369929040 /nfs/dbraw/zinc/92/90/40/369929040.db2.gz ZFPDRUFZPYMVMI-SWLSCSKDSA-N 0 3 260.406 3.447 20 30 CGEDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000093250924 370113905 /nfs/dbraw/zinc/11/39/05/370113905.db2.gz SUAMKEGKXXDUFQ-KGLIPLIRSA-N 0 3 287.407 3.253 20 30 CGEDHN C=CCc1cc(CN2CC[C@@H](CC)C2)cc(OC)c1O ZINC000091929534 370082363 /nfs/dbraw/zinc/08/23/63/370082363.db2.gz XVTDKSFETAKPCT-CYBMUJFWSA-N 0 3 275.392 3.361 20 30 CGEDHN C=C(C)COc1cc(CN(C)CCCOC)ccc1OC ZINC000092537487 370098389 /nfs/dbraw/zinc/09/83/89/370098389.db2.gz RUHIMWKGSGEKPQ-UHFFFAOYSA-N 0 3 293.407 3.118 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccn(C)c1 ZINC000092505659 370098724 /nfs/dbraw/zinc/09/87/24/370098724.db2.gz SOXATWLWTIJJRC-UHFFFAOYSA-N 0 3 254.377 3.256 20 30 CGEDHN C=CC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000093359295 370118697 /nfs/dbraw/zinc/11/86/97/370118697.db2.gz LPDMIXOCTBNUMB-UHFFFAOYSA-N 0 3 291.391 3.110 20 30 CGEDHN C=CC1CCN(Cc2cnc(N(CC)CC)s2)CC1 ZINC000093359142 370119164 /nfs/dbraw/zinc/11/91/64/370119164.db2.gz VEUSDKASPAHIQC-UHFFFAOYSA-N 0 3 279.453 3.387 20 30 CGEDHN C=CCc1cc(CNCCc2ccco2)cc(OC)c1O ZINC000113313695 370471318 /nfs/dbraw/zinc/47/13/18/370471318.db2.gz WLMXBABYISUWES-UHFFFAOYSA-N 0 3 287.359 3.055 20 30 CGEDHN Cc1cncc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000131104397 371082859 /nfs/dbraw/zinc/08/28/59/371082859.db2.gz ZXZNDLHWFHPUMI-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN COCc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000131175067 371088392 /nfs/dbraw/zinc/08/83/92/371088392.db2.gz WYVUCWRLBNWTKX-UHFFFAOYSA-N 0 3 280.371 3.337 20 30 CGEDHN C=CCCN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000132385534 371171196 /nfs/dbraw/zinc/17/11/96/371171196.db2.gz RMOISGYFLAEGTD-OAHLLOKOSA-N 0 3 261.365 3.417 20 30 CGEDHN N#CCCCN(Cc1ccccc1)CC1(O)CCCC1 ZINC000134314955 371321616 /nfs/dbraw/zinc/32/16/16/371321616.db2.gz BECICHCRYNOCAF-UHFFFAOYSA-N 0 3 272.392 3.097 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000135143239 371394151 /nfs/dbraw/zinc/39/41/51/371394151.db2.gz GVPYVIDFZYHASQ-UWVGGRQHSA-N 0 3 272.270 3.362 20 30 CGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC1CC1 ZINC000135264106 371407246 /nfs/dbraw/zinc/40/72/46/371407246.db2.gz UGTFLXDGNIUZNP-OAHLLOKOSA-N 0 3 299.418 3.054 20 30 CGEDHN N#CCCCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134845787 371369267 /nfs/dbraw/zinc/36/92/67/371369267.db2.gz QGLRSYMRZNCIBE-HNNXBMFYSA-N 0 3 274.339 3.167 20 30 CGEDHN CCCCCCCCN1CCOC2(CCOCC2)C1 ZINC000135622723 371440505 /nfs/dbraw/zinc/44/05/05/371440505.db2.gz NHYNNXNVKIBHSJ-UHFFFAOYSA-N 0 3 269.429 3.228 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNCc1ccco1)C(C)C ZINC000150949541 371552020 /nfs/dbraw/zinc/55/20/20/371552020.db2.gz MMFAIVJUAVXEKM-INIZCTEOSA-N 0 3 262.397 3.068 20 30 CGEDHN CCOC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000353310247 220021659 /nfs/dbraw/zinc/02/16/59/220021659.db2.gz XZRYKFSYAYMKRO-LRDDRELGSA-N 0 3 278.371 3.409 20 30 CGEDHN C[C@H](Nc1cccc(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000287805779 371708004 /nfs/dbraw/zinc/70/80/04/371708004.db2.gz PNLLTYUKNUKSDJ-SUMWQHHRSA-N 0 3 280.375 3.057 20 30 CGEDHN C[C@H](NCCCC1(O)CCC1)c1ccc(C#N)cc1F ZINC000421865971 371688844 /nfs/dbraw/zinc/68/88/44/371688844.db2.gz ZHRFXKUMVQQZRK-LBPRGKRZSA-N 0 3 276.355 3.043 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000289328431 371755146 /nfs/dbraw/zinc/75/51/46/371755146.db2.gz UPCYOMSTGMJBFO-MSOLQXFVSA-N 0 3 295.382 3.349 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC1CCN(C2CC2)CC1 ZINC000153512228 371774776 /nfs/dbraw/zinc/77/47/76/371774776.db2.gz KZXVQLAESJGDDA-UHFFFAOYSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)CC1CCC(=O)CC1 ZINC000289951774 371860980 /nfs/dbraw/zinc/86/09/80/371860980.db2.gz HZGQMKIYUIARTG-UHFFFAOYSA-N 0 3 282.387 3.306 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H](C3CC3)C2)ccc1F ZINC000344084696 217041714 /nfs/dbraw/zinc/04/17/14/217041714.db2.gz GPPUJTGDJRGRFY-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN CN(C)C[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000290060412 371891497 /nfs/dbraw/zinc/89/14/97/371891497.db2.gz HEJCZBPWRIXBRX-SFHVURJKSA-N 0 3 297.377 3.090 20 30 CGEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)CC1CC1 ZINC000156233346 371967512 /nfs/dbraw/zinc/96/75/12/371967512.db2.gz OSDRTLWAVAHIRF-UHFFFAOYSA-N 0 3 283.293 3.279 20 30 CGEDHN C=CCN(CCC(=O)OC(C)C)Cc1cccs1 ZINC000157433127 372022449 /nfs/dbraw/zinc/02/24/49/372022449.db2.gz QFIDDWBTRDTCMC-UHFFFAOYSA-N 0 3 267.394 3.078 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1cn(-c2ccncc2)nc1C ZINC000426565597 372164911 /nfs/dbraw/zinc/16/49/11/372164911.db2.gz BQTXTAPDSZXVOQ-MRXNPFEDSA-N 0 3 282.391 3.116 20 30 CGEDHN CCCN(CCOCC1CC1)Cc1ccc(C#N)cc1 ZINC000159259143 372123115 /nfs/dbraw/zinc/12/31/15/372123115.db2.gz OPXKDSKEGHLWDT-UHFFFAOYSA-N 0 3 272.392 3.197 20 30 CGEDHN COc1ccc(Cl)cc1C(C)(C)NCCCC#N ZINC000425508245 372129667 /nfs/dbraw/zinc/12/96/67/372129667.db2.gz GPUONDSAWBESRZ-UHFFFAOYSA-N 0 3 266.772 3.477 20 30 CGEDHN C=CCOCCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000292916206 372247976 /nfs/dbraw/zinc/24/79/76/372247976.db2.gz XNZPNJRCCMTAPE-LBPRGKRZSA-N 0 3 268.426 3.209 20 30 CGEDHN COCC[C@@H](NCc1cccc(F)c1C#N)C(C)(C)C ZINC000428940640 372284790 /nfs/dbraw/zinc/28/47/90/372284790.db2.gz QYPOWKGTSYDHQR-OAHLLOKOSA-N 0 3 278.371 3.238 20 30 CGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000344320642 217147542 /nfs/dbraw/zinc/14/75/42/217147542.db2.gz IKUFWOAYJJRPEJ-OLZOCXBDSA-N 0 3 288.391 3.329 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(F)c(C#N)c2)C[C@@H]1OC ZINC000429303385 372348884 /nfs/dbraw/zinc/34/88/84/372348884.db2.gz BNMSMUMFIPZONJ-CVEARBPZSA-N 0 3 290.382 3.381 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000430727020 372393789 /nfs/dbraw/zinc/39/37/89/372393789.db2.gz XGOYFUBSJCMBKF-LBPRGKRZSA-N 0 3 297.402 3.261 20 30 CGEDHN CO[C@]1(C)C[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344374202 217174430 /nfs/dbraw/zinc/17/44/30/217174430.db2.gz KWJQCFBXSMYVKM-DOTOQJQBSA-N 0 3 290.382 3.333 20 30 CGEDHN C[C@@H](NCCSC(F)(F)F)c1ccc(C#N)cc1 ZINC000164490664 372521220 /nfs/dbraw/zinc/52/12/20/372521220.db2.gz GJWAPLNOXAOUMR-SECBINFHSA-N 0 3 274.311 3.462 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000166713726 372580104 /nfs/dbraw/zinc/58/01/04/372580104.db2.gz COAYNZSHMBDPIL-MCIONIFRSA-N 0 3 272.392 3.433 20 30 CGEDHN COc1ccc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)cc1C#N ZINC000166722408 372581189 /nfs/dbraw/zinc/58/11/89/372581189.db2.gz PPQCRXBZWANKEN-RDBSUJKOSA-N 0 3 272.392 3.433 20 30 CGEDHN CCCCN(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000433126962 372582523 /nfs/dbraw/zinc/58/25/23/372582523.db2.gz QLTCZAMWJKIPDM-INIZCTEOSA-N 0 3 272.392 3.408 20 30 CGEDHN C#CCSCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294570354 372660725 /nfs/dbraw/zinc/66/07/25/372660725.db2.gz BVYPIIMUKJSCDG-CYBMUJFWSA-N 0 3 263.406 3.026 20 30 CGEDHN C#Cc1ccc(CN[C@H](CC)COCC(F)(F)F)cc1 ZINC000295052592 372688262 /nfs/dbraw/zinc/68/82/62/372688262.db2.gz FWDBUTOZEPBONK-CQSZACIVSA-N 0 3 285.309 3.115 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000434586228 372693146 /nfs/dbraw/zinc/69/31/46/372693146.db2.gz MXXKDPUGLIUNRH-WMLDXEAASA-N 0 3 270.376 3.017 20 30 CGEDHN N#Cc1ccc(CN(CCc2cscn2)C2CC2)cc1 ZINC000295415675 372772769 /nfs/dbraw/zinc/77/27/69/372772769.db2.gz DNBQNPOIRRDBLH-UHFFFAOYSA-N 0 3 283.400 3.222 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc(CCC)cs1 ZINC000435739509 372800165 /nfs/dbraw/zinc/80/01/65/372800165.db2.gz GQVJJMKRJQXUTA-WFASDCNBSA-N 0 3 280.437 3.166 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000171715099 372817064 /nfs/dbraw/zinc/81/70/64/372817064.db2.gz NANNNGGHHSDBGM-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN N#CCC[C@H](NCC[C@H]1CCOC1)c1ccccc1 ZINC000437760645 372856805 /nfs/dbraw/zinc/85/68/05/372856805.db2.gz QQYHORDJVLMJQN-HOCLYGCPSA-N 0 3 258.365 3.048 20 30 CGEDHN N#Cc1ccc(CNCCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000344663633 217266892 /nfs/dbraw/zinc/26/68/92/217266892.db2.gz HRSFLNOSXDIQST-UHFFFAOYSA-N 0 3 299.330 3.172 20 30 CGEDHN CCCCCN(CC#Cc1ccccc1Cl)CCO ZINC000441162200 372998433 /nfs/dbraw/zinc/99/84/33/372998433.db2.gz GVJZVPDULIVFLZ-UHFFFAOYSA-N 0 3 279.811 3.176 20 30 CGEDHN C[C@@H](O)CN(CCCC#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441265218 373000608 /nfs/dbraw/zinc/00/06/08/373000608.db2.gz RURKWZQVRBJSPA-ZIAGYGMSSA-N 0 3 294.826 3.258 20 30 CGEDHN Cc1nc(-c2ccc(CN[C@H]3CC[C@@H](C#N)C3)o2)cs1 ZINC000442640111 373061422 /nfs/dbraw/zinc/06/14/22/373061422.db2.gz AWOSVGNXMJXALX-NEPJUHHUSA-N 0 3 287.388 3.493 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000442714569 373066917 /nfs/dbraw/zinc/06/69/17/373066917.db2.gz KCDBFBOLNLMCDJ-RDJZCZTQSA-N 0 3 298.434 3.244 20 30 CGEDHN CCCCn1cc(CN[C@@H]2CCC[C@H](C#N)C2)c(C)n1 ZINC000446807282 373364886 /nfs/dbraw/zinc/36/48/86/373364886.db2.gz YRABLMHTZJSOKD-GOEBONIOSA-N 0 3 274.412 3.164 20 30 CGEDHN Cc1cscc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000175083352 373405528 /nfs/dbraw/zinc/40/55/28/373405528.db2.gz LKUBEEUYUZKUDL-NSHDSACASA-N 0 3 295.367 3.433 20 30 CGEDHN Cc1cscc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000175083352 373405538 /nfs/dbraw/zinc/40/55/38/373405538.db2.gz LKUBEEUYUZKUDL-NSHDSACASA-N 0 3 295.367 3.433 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000447393639 373433384 /nfs/dbraw/zinc/43/33/84/373433384.db2.gz DWQZNAIEAZTYGQ-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1sccc1C#N ZINC000177327354 373675892 /nfs/dbraw/zinc/67/58/92/373675892.db2.gz GTXDZCCMRDDVEU-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301166167 373680654 /nfs/dbraw/zinc/68/06/54/373680654.db2.gz HYJMAAOHNQVHKX-UHFFFAOYSA-N 0 3 293.342 3.186 20 30 CGEDHN C[C@@]12CN(Cc3ccc(C#N)cc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449756 373731551 /nfs/dbraw/zinc/73/15/51/373731551.db2.gz MVPPSWFOKDYQBI-VKZRIFJHSA-N 0 3 282.362 3.341 20 30 CGEDHN C=CCOc1ccc(CNC/C=C/CC)cc1OC ZINC000449461575 373744533 /nfs/dbraw/zinc/74/45/33/373744533.db2.gz TWUZAEDQZJBCNI-VOTSOKGWSA-N 0 3 261.365 3.316 20 30 CGEDHN C=C(C)CCNCc1cnc(C(F)(F)F)s1 ZINC000449472570 373756818 /nfs/dbraw/zinc/75/68/18/373756818.db2.gz FYHHDHNGXNNGID-UHFFFAOYSA-N 0 3 250.289 3.218 20 30 CGEDHN C#CCSCCNc1ccnc2ccc(C)cc21 ZINC000302151943 373822580 /nfs/dbraw/zinc/82/25/80/373822580.db2.gz KWSPJRZULXAGHF-UHFFFAOYSA-N 0 3 256.374 3.322 20 30 CGEDHN C=CCOc1ccc(CN2CCCC[C@@H]2COC)cc1 ZINC000449761534 373890378 /nfs/dbraw/zinc/89/03/78/373890378.db2.gz YLNBVHQBMNEQND-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@H]1CCC[C@@H](C)C1 ZINC000449770236 373898738 /nfs/dbraw/zinc/89/87/38/373898738.db2.gz WGFQIMSNUNLTRQ-WOPDTQHZSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCC[C@H](CO)NCc1cscc1C(F)(F)F ZINC000449700545 373846124 /nfs/dbraw/zinc/84/61/24/373846124.db2.gz UEXCMORWSIBMCW-SNVBAGLBSA-N 0 3 279.327 3.184 20 30 CGEDHN C=CCC[C@H](CO)NCc1cnc(-c2ccc(C)o2)s1 ZINC000449699978 373847048 /nfs/dbraw/zinc/84/70/48/373847048.db2.gz RVIVCZKFWOJUMV-GFCCVEGCSA-N 0 3 292.404 3.128 20 30 CGEDHN C=CCC[C@H](NCC(=O)NCC(C)C)c1ccccc1 ZINC000180043022 373956791 /nfs/dbraw/zinc/95/67/91/373956791.db2.gz NMSZSWUNOMZGJC-INIZCTEOSA-N 0 3 274.408 3.056 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000179797705 373919314 /nfs/dbraw/zinc/91/93/14/373919314.db2.gz XZPFSVBNLYNKCH-HNNXBMFYSA-N 0 3 274.408 3.056 20 30 CGEDHN C[C@@H](c1ccccc1)[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000450224908 374008253 /nfs/dbraw/zinc/00/82/53/374008253.db2.gz DQVYHGATVDVWPG-HNAYVOBHSA-N 0 3 294.398 3.155 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000181119977 374082873 /nfs/dbraw/zinc/08/28/73/374082873.db2.gz ZUHHIJAGQFINAD-HNNXBMFYSA-N 0 3 295.471 3.247 20 30 CGEDHN N#Cc1cc(F)ccc1CN[C@@H](CCO)C1CCCCC1 ZINC000181503565 374133387 /nfs/dbraw/zinc/13/33/87/374133387.db2.gz QKTQRWFFYHZXGG-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@@H](NCCN(C)c1ccccc1)c1cccc(C#N)c1 ZINC000181986063 374201130 /nfs/dbraw/zinc/20/11/30/374201130.db2.gz SRKJCGCZYGLTNO-OAHLLOKOSA-N 0 3 279.387 3.345 20 30 CGEDHN CC[C@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000182301996 374254755 /nfs/dbraw/zinc/25/47/55/374254755.db2.gz FOJIIMIAEVHWCB-HOTGVXAUSA-N 0 3 277.795 3.239 20 30 CGEDHN CCC[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000453261001 374377613 /nfs/dbraw/zinc/37/76/13/374377613.db2.gz YJQUMPQPUXONQY-WCQYABFASA-N 0 3 264.344 3.163 20 30 CGEDHN CC[C@](C)(CN[C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000453308621 374407772 /nfs/dbraw/zinc/40/77/72/374407772.db2.gz WJOIEJDULXTGKJ-XHDPSFHLSA-N 0 3 264.344 3.163 20 30 CGEDHN N#CC1(NC(=O)[C@@H](C2CC2)N2CCCC2)CCCCC1 ZINC000329856054 374436944 /nfs/dbraw/zinc/43/69/44/374436944.db2.gz UMNAHSOUSHETAT-CQSZACIVSA-N 0 3 275.396 3.044 20 30 CGEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000453369348 374456283 /nfs/dbraw/zinc/45/62/83/374456283.db2.gz QRTSNMBEQZDBGA-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)c1nccs1 ZINC000183945218 374476293 /nfs/dbraw/zinc/47/62/93/374476293.db2.gz BKHHLSSNCAPPSR-GFCCVEGCSA-N 0 3 271.389 3.250 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184914357 374570413 /nfs/dbraw/zinc/57/04/13/374570413.db2.gz FRHCYBGGEQMPOE-ZBFHGGJFSA-N 0 3 274.408 3.008 20 30 CGEDHN CC1(C#N)CCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000334444911 374757587 /nfs/dbraw/zinc/75/75/87/374757587.db2.gz IDTPEFIWJFLQMB-LBPRGKRZSA-N 0 3 256.340 3.438 20 30 CGEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000185761929 374731444 /nfs/dbraw/zinc/73/14/44/374731444.db2.gz XVSVVNGNRYLVOY-YCPHGPKFSA-N 0 3 295.390 3.000 20 30 CGEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000185813179 374743117 /nfs/dbraw/zinc/74/31/17/374743117.db2.gz UYYPBGHCECNBHM-VNHYZAJKSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCSCCN[C@H](C)c1sccc1OC ZINC000186205021 374814543 /nfs/dbraw/zinc/81/45/43/374814543.db2.gz KUVDYWXTHIBFPT-SNVBAGLBSA-N 0 3 257.424 3.327 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C2CCCC2)CC1 ZINC000186290319 374828214 /nfs/dbraw/zinc/82/82/14/374828214.db2.gz QGBSKJVRXCCTCO-OAHLLOKOSA-N 0 3 283.419 3.179 20 30 CGEDHN C=CCC[C@@H](CCC)N[C@@H](CCO)c1ccco1 ZINC000186532405 374869734 /nfs/dbraw/zinc/86/97/34/374869734.db2.gz CCKUKXJCLPPESN-KGLIPLIRSA-N 0 3 251.370 3.428 20 30 CGEDHN CCC[C@H](CCc1ccccc1)NC(=O)C(C)C#N ZINC000469730961 374991265 /nfs/dbraw/zinc/99/12/65/374991265.db2.gz HUZBGOFZJIUSFS-UKRRQHHQSA-N 0 3 258.365 3.064 20 30 CGEDHN C=CCOCCCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000470772089 374999426 /nfs/dbraw/zinc/99/94/26/374999426.db2.gz JDRKAQGQZRCNQO-INIZCTEOSA-N 0 3 295.810 3.386 20 30 CGEDHN C=CC[C@H](CO)CNCc1c(Cl)cccc1CC ZINC000473989295 375070153 /nfs/dbraw/zinc/07/01/53/375070153.db2.gz LEAHSKOQZMIURC-LBPRGKRZSA-N 0 3 267.800 3.177 20 30 CGEDHN CC(C)CO[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187714101 375079465 /nfs/dbraw/zinc/07/94/65/375079465.db2.gz QNKLDVSKAOBOCN-YOEHRIQHSA-N 0 3 272.392 3.366 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1CCCC ZINC000473175569 375045230 /nfs/dbraw/zinc/04/52/30/375045230.db2.gz PKIAMBPUEUSXMZ-RDJZCZTQSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN(C)CCOc1cccc(Br)c1 ZINC000481270153 375163776 /nfs/dbraw/zinc/16/37/76/375163776.db2.gz QTZUQKYLUYBJEB-UHFFFAOYSA-N 0 3 284.197 3.336 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)CC#Cc2ccccc2)C1(C)C ZINC000483970496 375184430 /nfs/dbraw/zinc/18/44/30/375184430.db2.gz CGRGXNTZLHQXFH-SJORKVTESA-N 0 3 271.404 3.174 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000188550367 375231177 /nfs/dbraw/zinc/23/11/77/375231177.db2.gz BXUPQRBSASSKFN-JFIYKMOQSA-N 0 3 286.419 3.150 20 30 CGEDHN CC(C#N)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000488234918 375307061 /nfs/dbraw/zinc/30/70/61/375307061.db2.gz SDMVRSDBJYGURD-QAPCUYQASA-N 0 3 292.382 3.289 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000335814758 375453471 /nfs/dbraw/zinc/45/34/71/375453471.db2.gz GDMYRCDESAVRTE-JTQLQIEISA-N 0 3 278.302 3.010 20 30 CGEDHN C=C(CC)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493926022 375484606 /nfs/dbraw/zinc/48/46/06/375484606.db2.gz NKOVTFMMGOOWTA-LSDHHAIUSA-N 0 3 267.319 3.351 20 30 CGEDHN Cn1cc(CN2CCC(C)(c3ccccc3)CC2)cc1C#N ZINC000191331139 375611528 /nfs/dbraw/zinc/61/15/28/375611528.db2.gz CTFZFQOYIPQHEI-UHFFFAOYSA-N 0 3 293.414 3.450 20 30 CGEDHN CN(CCOc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191904387 375675334 /nfs/dbraw/zinc/67/53/34/375675334.db2.gz OYEUZNCXIAASPC-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000336291297 375772493 /nfs/dbraw/zinc/77/24/93/375772493.db2.gz ASPIOHJIFTUEHA-UKRRQHHQSA-N 0 3 288.366 3.361 20 30 CGEDHN C=CCCCCCN[C@@H](C)c1nnc2ccccn21 ZINC000193551018 375893166 /nfs/dbraw/zinc/89/31/66/375893166.db2.gz JJZNITJLZAAXAN-ZDUSSCGKSA-N 0 3 258.369 3.126 20 30 CGEDHN Cc1cccc(C2=CCN(C[C@@H](O)CC3(C#N)CC3)CC2)c1 ZINC000528432772 375901591 /nfs/dbraw/zinc/90/15/91/375901591.db2.gz SAJZBXIKGQNIEN-SFHVURJKSA-N 0 3 296.414 3.139 20 30 CGEDHN C=CCCCCN1CCc2nc(C3CC3)ncc2C1 ZINC000528740791 375908559 /nfs/dbraw/zinc/90/85/59/375908559.db2.gz IMUWRCOMZJJHKP-UHFFFAOYSA-N 0 3 257.381 3.068 20 30 CGEDHN COCCN(CC#Cc1cccc(Cl)c1)CC(C)C ZINC000532605691 375952280 /nfs/dbraw/zinc/95/22/80/375952280.db2.gz APPCEUDKRNBNDK-UHFFFAOYSA-N 0 3 279.811 3.296 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](CSC)C1 ZINC000336833122 375995334 /nfs/dbraw/zinc/99/53/34/375995334.db2.gz NWIJVOJKHCOYSD-AWEZNQCLSA-N 0 3 290.432 3.142 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@H](c3ccccc3)CC2)C1=O ZINC000337145612 376101126 /nfs/dbraw/zinc/10/11/26/376101126.db2.gz XMNMPLMJKQMYAL-ROUUACIJSA-N 0 3 298.430 3.043 20 30 CGEDHN C=CCN1CC[C@@H](N(C)[C@@H](c2ccccc2)C(C)C)C1=O ZINC000337171800 376113850 /nfs/dbraw/zinc/11/38/50/376113850.db2.gz GBQWFQWNAQWEJO-IAGOWNOFSA-N 0 3 286.419 3.102 20 30 CGEDHN C=CCN(C[C@@H](O)COc1ccc2ccccc2c1)C1CC1 ZINC000536742900 376128593 /nfs/dbraw/zinc/12/85/93/376128593.db2.gz DOXXOZMLOOOJEV-GOSISDBHSA-N 0 3 297.398 3.230 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2cccc(C)c2C)C1=O ZINC000337197415 376131321 /nfs/dbraw/zinc/13/13/21/376131321.db2.gz XDLAPQAMTDZDKU-ZWKOTPCHSA-N 0 3 298.430 3.227 20 30 CGEDHN Cc1ccc2c(c1)CCN(CCCC1(C#N)CCOCC1)C2 ZINC000337207822 376137231 /nfs/dbraw/zinc/13/72/31/376137231.db2.gz PJIRBKMQPATFIY-UHFFFAOYSA-N 0 3 298.430 3.454 20 30 CGEDHN Cc1cc(C)c(C#N)c(NC[C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000221736011 376218806 /nfs/dbraw/zinc/21/88/06/376218806.db2.gz SODNIZFTNKIYFR-IUODEOHRSA-N 0 3 286.423 3.102 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CC=CCC1 ZINC000540560322 376381715 /nfs/dbraw/zinc/38/17/15/376381715.db2.gz JSMUFYVLOQMCDS-SJORKVTESA-N 0 3 282.387 3.231 20 30 CGEDHN CCN(CC1CCC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000230316487 376505850 /nfs/dbraw/zinc/50/58/50/376505850.db2.gz QDBQQRUWAPOKPD-CYBMUJFWSA-N 0 3 285.391 3.007 20 30 CGEDHN COc1cc(CNCCOC2CCCCC2)ccc1C#N ZINC000234909956 376622802 /nfs/dbraw/zinc/62/28/02/376622802.db2.gz PSLYKICUJWLGFG-UHFFFAOYSA-N 0 3 288.391 3.006 20 30 CGEDHN COc1cc(CN2CCC[C@@H](C)[C@@H]2C)ccc1C#N ZINC000234974155 376627075 /nfs/dbraw/zinc/62/70/75/376627075.db2.gz DPTBLVKRDZLCJP-OLZOCXBDSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H](C#N)CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000543623550 376660407 /nfs/dbraw/zinc/66/04/07/376660407.db2.gz HMWVWFGACAZHJE-OOHWJJMZSA-N 0 3 267.376 3.140 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccsc1 ZINC000339366280 376749440 /nfs/dbraw/zinc/74/94/40/376749440.db2.gz YTJNGJQCUMHVHN-INIZCTEOSA-N 0 3 298.411 3.179 20 30 CGEDHN C=C[C@H](CC(=O)NCCN1CC=C(C)CC1)c1ccccc1 ZINC000545162208 376791635 /nfs/dbraw/zinc/79/16/35/376791635.db2.gz FNAADAUQFWLNRN-QGZVFWFLSA-N 0 3 298.430 3.115 20 30 CGEDHN C=CCOCCN1CCC(c2ccccc2F)CC1 ZINC000555364746 376856517 /nfs/dbraw/zinc/85/65/17/376856517.db2.gz SHJGJVJVRLSMHI-UHFFFAOYSA-N 0 3 263.356 3.208 20 30 CGEDHN CN(C)CCN(c1cccc(F)c1C#N)C1CCCC1 ZINC000339969059 376883504 /nfs/dbraw/zinc/88/35/04/376883504.db2.gz LYDICKUIPDIJIY-UHFFFAOYSA-N 0 3 275.371 3.008 20 30 CGEDHN N#CCC[C@@H](C#N)CNC[C@@H]1C[C@H]1C1CCCCC1 ZINC000557265038 376927156 /nfs/dbraw/zinc/92/71/56/376927156.db2.gz LZTVMEOWQJFAMO-BPUTZDHNSA-N 0 3 259.397 3.236 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000245926696 376935856 /nfs/dbraw/zinc/93/58/56/376935856.db2.gz IBLKXOAYUXETCT-RDJZCZTQSA-N 0 3 289.806 3.192 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246873132 377110369 /nfs/dbraw/zinc/11/03/69/377110369.db2.gz WLTOZHHFUQSYJY-ZIAGYGMSSA-N 0 3 295.810 3.120 20 30 CGEDHN C[C@H](COc1cccc(F)c1)NCc1ccc(C#N)cc1 ZINC000340443251 377060268 /nfs/dbraw/zinc/06/02/68/377060268.db2.gz FVERFZQARIWIMP-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000247315888 377191632 /nfs/dbraw/zinc/19/16/32/377191632.db2.gz HSLPHBWXSOCJTM-CJNGLKHVSA-N 0 3 292.448 3.213 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000561886776 377249455 /nfs/dbraw/zinc/24/94/55/377249455.db2.gz MIDXTODUTUXLAV-CVEARBPZSA-N 0 3 279.811 3.284 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1nc2c(cc1C#N)CCC2 ZINC000341111340 377401607 /nfs/dbraw/zinc/40/16/07/377401607.db2.gz WRSXNPDAUVBMDN-ZIAGYGMSSA-N 0 3 298.434 3.117 20 30 CGEDHN CC1(C)[C@@H](CNC[C@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000567597720 377508544 /nfs/dbraw/zinc/50/85/44/377508544.db2.gz KBYJQAVCLHLYTJ-XIRDDKMYSA-N 0 3 281.403 3.459 20 30 CGEDHN C[C@@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CCN1C ZINC000090794956 249029447 /nfs/dbraw/zinc/02/94/47/249029447.db2.gz QZQLLSZCUOESOE-ZWNOBZJWSA-N 0 3 263.772 3.106 20 30 CGEDHN COC1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC000271165396 249062550 /nfs/dbraw/zinc/06/25/50/249062550.db2.gz FMGLOZXQHJEKNE-UHFFFAOYSA-N 0 3 264.394 3.009 20 30 CGEDHN CCC(CC)CN(CCC#N)CCCc1cncn1C ZINC000570055334 377533007 /nfs/dbraw/zinc/53/30/07/377533007.db2.gz MWKUMHFDAQOUGG-UHFFFAOYSA-N 0 3 276.428 3.005 20 30 CGEDHN Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)cc(C#N)n1 ZINC000341369041 377533921 /nfs/dbraw/zinc/53/39/21/377533921.db2.gz XMHIAVKJOSIKNP-INIZCTEOSA-N 0 3 296.374 3.104 20 30 CGEDHN C[C@@H](CO)N(CC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000570537998 377536951 /nfs/dbraw/zinc/53/69/51/377536951.db2.gz IIEQYPSMXIXHPP-AWEZNQCLSA-N 0 3 291.822 3.317 20 30 CGEDHN Cc1ccc([C@@H](CNc2cccc(C#N)n2)N2CCCC2)o1 ZINC000265504750 190187012 /nfs/dbraw/zinc/18/70/12/190187012.db2.gz JAFUICKPDYFRFS-OAHLLOKOSA-N 0 3 296.374 3.104 20 30 CGEDHN N#CCC1(CNCc2ccc3c(c2)OCCCCO3)CC1 ZINC000574126988 377623664 /nfs/dbraw/zinc/62/36/64/377623664.db2.gz NZVYZMDGUQXYPN-UHFFFAOYSA-N 0 3 286.375 3.021 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1OC ZINC000342227100 377635439 /nfs/dbraw/zinc/63/54/39/377635439.db2.gz XUBOBUNAYCWDAV-RYUDHWBXSA-N 0 3 283.318 3.003 20 30 CGEDHN Cc1cc(CN2CC[C@H](c3ccncc3)C2)ccc1C#N ZINC000574530280 377677102 /nfs/dbraw/zinc/67/71/02/377677102.db2.gz WRJUTCGDPXOSIM-SFHVURJKSA-N 0 3 277.371 3.251 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(CC#N)cc2)C[C@H]1n1ccnc1 ZINC000342756725 377775538 /nfs/dbraw/zinc/77/55/38/377775538.db2.gz VHQOTHIHPGTEQO-CRAIPNDOSA-N 0 3 294.402 3.032 20 30 CGEDHN COC[C@@H](CC(C)C)NC1(c2cccc(C#N)c2)CC1 ZINC000342826341 377821526 /nfs/dbraw/zinc/82/15/26/377821526.db2.gz MTVWFIXGIDTOEJ-MRXNPFEDSA-N 0 3 272.392 3.198 20 30 CGEDHN COC[C@H](CC(C)C)NC1(c2cccc(C#N)c2)CC1 ZINC000342826340 377822657 /nfs/dbraw/zinc/82/26/57/377822657.db2.gz MTVWFIXGIDTOEJ-INIZCTEOSA-N 0 3 272.392 3.198 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1F)N(C)c1ccccc1 ZINC000343278872 377945649 /nfs/dbraw/zinc/94/56/49/377945649.db2.gz LUWOLSUYYDYRGA-CQSZACIVSA-N 0 3 297.377 3.312 20 30 CGEDHN Cc1cccn2c(CN[C@H](C)c3ccc(C#N)cc3)cnc12 ZINC000343154090 377915749 /nfs/dbraw/zinc/91/57/49/377915749.db2.gz PARUYALLKHVQTC-CQSZACIVSA-N 0 3 290.370 3.365 20 30 CGEDHN Cc1ccn2cc(CNCC(C)(C)CCC#N)nc2c1 ZINC000266221528 378017369 /nfs/dbraw/zinc/01/73/69/378017369.db2.gz RMQCCCRTZTYGGE-UHFFFAOYSA-N 0 3 270.380 3.062 20 30 CGEDHN Cn1cccc1[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000264544387 377988406 /nfs/dbraw/zinc/98/84/06/377988406.db2.gz ISNPKFJYZOJXET-GOSISDBHSA-N 0 3 295.386 3.265 20 30 CGEDHN C=CCCN(C)Cc1ccc(OC)c(OCCC)c1 ZINC000343501010 377996333 /nfs/dbraw/zinc/99/63/33/377996333.db2.gz XGUNIIDYAAJMCN-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN CCCc1cc(NCCCC#N)c2ccccc2n1 ZINC000343602274 378036355 /nfs/dbraw/zinc/03/63/55/378036355.db2.gz QUYFZANAIHLMTL-UHFFFAOYSA-N 0 3 253.349 3.325 20 30 CGEDHN CCCN(CC)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343646252 378052298 /nfs/dbraw/zinc/05/22/98/378052298.db2.gz KYNKCRRYUMKILV-CKDBGZEDSA-N 0 3 293.455 3.038 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(Nc3cccc(C#N)n3)cccc21 ZINC000579300690 378147913 /nfs/dbraw/zinc/14/79/13/378147913.db2.gz UXTNLWCIKYJRQC-OAHLLOKOSA-N 0 3 294.358 3.082 20 30 CGEDHN C=C(CNCc1cnc2nc(C)cc(C)n12)c1ccccc1 ZINC000343805934 378097866 /nfs/dbraw/zinc/09/78/66/378097866.db2.gz INOWLWAYMXSZDX-UHFFFAOYSA-N 0 3 292.386 3.149 20 30 CGEDHN Cc1ccccc1[C@H]([C@@H](C)Nc1ncccc1C#N)N(C)C ZINC000343818295 378102472 /nfs/dbraw/zinc/10/24/72/378102472.db2.gz ZWGHAHIBXORPPT-PBHICJAKSA-N 0 3 294.402 3.365 20 30 CGEDHN N#CC1(CNCCCc2c(F)cccc2Cl)CC1 ZINC000579789724 378194753 /nfs/dbraw/zinc/19/47/53/378194753.db2.gz FRZIUZZSXFHFFX-UHFFFAOYSA-N 0 3 266.747 3.305 20 30 CGEDHN C[C@]1(c2ccc(F)cc2)CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000580837973 378262350 /nfs/dbraw/zinc/26/23/50/378262350.db2.gz ODMMDVXJQHKEFP-XYPHTWIQSA-N 0 3 272.367 3.481 20 30 CGEDHN C=CCCCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270372151 378341978 /nfs/dbraw/zinc/34/19/78/378341978.db2.gz KKVLYZJSKKPDCQ-UHFFFAOYSA-N 0 3 260.381 3.351 20 30 CGEDHN CC(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583937254 378359101 /nfs/dbraw/zinc/35/91/01/378359101.db2.gz GPPZXHIZHAADES-CQSZACIVSA-N 0 3 287.363 3.334 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccs1 ZINC000618742651 378410747 /nfs/dbraw/zinc/41/07/47/378410747.db2.gz NZAIVQBSKRAJNS-OAHLLOKOSA-N 0 3 254.358 3.397 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271972500 378532915 /nfs/dbraw/zinc/53/29/15/378532915.db2.gz UVRXYGLNRTVZRF-LLVKDONJSA-N 0 3 264.369 3.267 20 30 CGEDHN CCO[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)C12CCC2 ZINC000272198699 378582975 /nfs/dbraw/zinc/58/29/75/378582975.db2.gz ISDBXWRSADLFCX-SJORKVTESA-N 0 3 296.414 3.485 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000346963966 378698526 /nfs/dbraw/zinc/69/85/26/378698526.db2.gz AXPULMQPUYZJRN-SFHVURJKSA-N 0 3 277.371 3.485 20 30 CGEDHN C=CCOCCN[C@@H](CC)c1cc(F)ccc1F ZINC000272495226 378649292 /nfs/dbraw/zinc/64/92/92/378649292.db2.gz CYQJHRINIJVCOP-AWEZNQCLSA-N 0 3 255.308 3.208 20 30 CGEDHN CCOc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000266184519 190238300 /nfs/dbraw/zinc/23/83/00/190238300.db2.gz GYWIXUZUSSQVLA-UHFFFAOYSA-N 0 3 296.370 3.255 20 30 CGEDHN C=CCOCCCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000348117314 378798733 /nfs/dbraw/zinc/79/87/33/378798733.db2.gz ZSTNVXWMUYLSDM-SFHVURJKSA-N 0 3 287.403 3.101 20 30 CGEDHN CC#CCCCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000274428357 378830458 /nfs/dbraw/zinc/83/04/58/378830458.db2.gz VKJXRFZUOGEOIM-UHFFFAOYSA-N 0 3 272.392 3.189 20 30 CGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCC1(C#N)CC1 ZINC000348300490 378894488 /nfs/dbraw/zinc/89/44/88/378894488.db2.gz BBZIEVSWRNFSFY-QGZVFWFLSA-N 0 3 285.435 3.036 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](c3ccco3)C2)ccc1F ZINC000370433886 379017513 /nfs/dbraw/zinc/01/75/13/379017513.db2.gz PXMHSIMQKHHJTE-ZDUSSCGKSA-N 0 3 270.307 3.280 20 30 CGEDHN CC[C@@]1(C)CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000347238014 218164411 /nfs/dbraw/zinc/16/44/11/218164411.db2.gz AFRFLCPYEZXYII-INIZCTEOSA-N 0 3 258.365 3.189 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)CC1(C)C ZINC000347248844 218168690 /nfs/dbraw/zinc/16/86/90/218168690.db2.gz FPWYGHCVKZKZMW-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN CC[C@]1(CNCc2ccc(C#N)o2)OCCc2ccccc21 ZINC000289449104 197353393 /nfs/dbraw/zinc/35/33/93/197353393.db2.gz BITNVHIRTZZUDX-GOSISDBHSA-N 0 3 296.370 3.119 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cc(OC)ns1 ZINC000639267228 379211872 /nfs/dbraw/zinc/21/18/72/379211872.db2.gz WKGLYSIHBKWBOY-AWEZNQCLSA-N 0 3 288.416 3.429 20 30 CGEDHN COc1cccc(OCCN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000266449025 190258554 /nfs/dbraw/zinc/25/85/54/190258554.db2.gz IXMVRUIAOKYQLZ-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C=CCn1cc(CN[C@H](C)[C@@H]2CCC(C)=C(C)C2)nn1 ZINC000639273379 379219532 /nfs/dbraw/zinc/21/95/32/379219532.db2.gz CIKGCSISAYMPSD-HUUCEWRRSA-N 0 3 274.412 3.079 20 30 CGEDHN CC(C)[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266507374 190262069 /nfs/dbraw/zinc/26/20/69/190262069.db2.gz CIKJZVMUZTUNPD-HNNXBMFYSA-N 0 3 296.374 3.229 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2N2CCCCC2)C1 ZINC000349826309 379404476 /nfs/dbraw/zinc/40/44/76/379404476.db2.gz AVPUBGPHWVDZDX-NVXWUHKLSA-N 0 3 283.419 3.459 20 30 CGEDHN C=C(C)CN1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000375807585 379511740 /nfs/dbraw/zinc/51/17/40/379511740.db2.gz BXFLKUCAEBDCAP-KRWDZBQOSA-N 0 3 278.440 3.066 20 30 CGEDHN CN(C)[C@H](CNCc1ccc(C#N)s1)c1ccsc1 ZINC000267156795 190307511 /nfs/dbraw/zinc/30/75/11/190307511.db2.gz DQLBFMYQCMUPFT-CQSZACIVSA-N 0 3 291.445 3.074 20 30 CGEDHN C=C(C)CCN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280254827 379656899 /nfs/dbraw/zinc/65/68/99/379656899.db2.gz BTLJRRSBLWQZFK-LBPRGKRZSA-N 0 3 289.297 3.174 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)s1 ZINC000377836197 379748182 /nfs/dbraw/zinc/74/81/82/379748182.db2.gz ZPHYWYFJVBUQGJ-ZIAGYGMSSA-N 0 3 290.432 3.258 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(F)ccc1F ZINC000280768848 379784340 /nfs/dbraw/zinc/78/43/40/379784340.db2.gz ZKFZFXXZUVZDPP-XHDPSFHLSA-N 0 3 267.319 3.036 20 30 CGEDHN CC1(CNCc2nc(C#N)cs2)CCCCCC1 ZINC000352801076 379967898 /nfs/dbraw/zinc/96/78/98/379967898.db2.gz RLVDQWJBNYRDDU-UHFFFAOYSA-N 0 3 263.410 3.465 20 30 CGEDHN C=C(C)CN(CCCC(C)(C)C#N)Cc1ccc(CO)o1 ZINC000352800569 379968561 /nfs/dbraw/zinc/96/85/61/379968561.db2.gz ZXIYTCIUDXRZNJ-UHFFFAOYSA-N 0 3 290.407 3.480 20 30 CGEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1nc(C#N)cs1 ZINC000352811763 379974854 /nfs/dbraw/zinc/97/48/54/379974854.db2.gz UDJPCQMXCOOHNY-PWSUYJOCSA-N 0 3 263.410 3.319 20 30 CGEDHN Cc1cccc([C@H](C)CNCc2nc(C#N)cs2)c1 ZINC000352838331 379993225 /nfs/dbraw/zinc/99/32/25/379993225.db2.gz MIPZDIRRIBURFQ-GFCCVEGCSA-N 0 3 271.389 3.217 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000352841915 379997092 /nfs/dbraw/zinc/99/70/92/379997092.db2.gz UFJOLGXVSMALRJ-HUUCEWRRSA-N 0 3 283.400 3.441 20 30 CGEDHN Cc1ccc(C[C@@H](C)NCc2nc(C#N)cs2)s1 ZINC000352846166 380000749 /nfs/dbraw/zinc/00/07/49/380000749.db2.gz SAFQXSFBQNVGJH-SECBINFHSA-N 0 3 277.418 3.106 20 30 CGEDHN C=C(C)CN(CCCCCO)Cc1cnn(C(C)C)c1 ZINC000352915410 380035284 /nfs/dbraw/zinc/03/52/84/380035284.db2.gz OCTAOQRIYGZMCY-UHFFFAOYSA-N 0 3 279.428 3.005 20 30 CGEDHN C=CCCOCCNCc1cn(CC)nc1-c1ccccc1 ZINC000641745660 380072667 /nfs/dbraw/zinc/07/26/67/380072667.db2.gz YNDRFOZEPVCIQC-UHFFFAOYSA-N 0 3 299.418 3.252 20 30 CGEDHN N#CC1(CCN2CCCN(CC(F)F)CC2)CCCCC1 ZINC000411427458 380146346 /nfs/dbraw/zinc/14/63/46/380146346.db2.gz OWSSUKSZXOJVGA-UHFFFAOYSA-N 0 3 299.409 3.123 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000410594709 380107669 /nfs/dbraw/zinc/10/76/69/380107669.db2.gz VFQSIKOTZQOEJR-KSSFIOAISA-N 0 3 297.402 3.079 20 30 CGEDHN Cc1cccc2c1OC[C@H](NCc1cc(C#N)cs1)C2 ZINC000353106163 380117594 /nfs/dbraw/zinc/11/75/94/380117594.db2.gz GMLXLXVRCQTFDL-CQSZACIVSA-N 0 3 284.384 3.022 20 30 CGEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc2n[nH]cc2c1 ZINC000353115137 380121347 /nfs/dbraw/zinc/12/13/47/380121347.db2.gz XLVZMLNEIGMCPR-SNVBAGLBSA-N 0 3 282.372 3.347 20 30 CGEDHN CO[C@@H](CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000284071313 380122250 /nfs/dbraw/zinc/12/22/50/380122250.db2.gz RMJORRRKKPRRGW-SFHVURJKSA-N 0 3 280.371 3.378 20 30 CGEDHN COc1cc(CNCc2ccc(C#N)c(C)c2)ccc1C#N ZINC000353214505 380171489 /nfs/dbraw/zinc/17/14/89/380171489.db2.gz VHUAVUVTHMDQOS-UHFFFAOYSA-N 0 3 291.354 3.037 20 30 CGEDHN CC(C)[C@@H](NCC(C)(C)CC#N)c1ccc(F)cn1 ZINC000414166283 380196308 /nfs/dbraw/zinc/19/63/08/380196308.db2.gz NEPUNOXKMUMPCO-CQSZACIVSA-N 0 3 263.360 3.447 20 30 CGEDHN Cc1c([C@@H](C)NCC(C)(C)CC#N)cccc1[N+](=O)[O-] ZINC000414170204 380197304 /nfs/dbraw/zinc/19/73/04/380197304.db2.gz SKSHQRQKXBOZMY-GFCCVEGCSA-N 0 3 275.352 3.494 20 30 CGEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2ccc(C#N)cc2)C1(C)C ZINC000353956968 380252247 /nfs/dbraw/zinc/25/22/47/380252247.db2.gz NAEBGOLGEHVDQY-WBVHZDCISA-N 0 3 272.392 3.194 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2n[nH]cc2c1 ZINC000353978423 380260985 /nfs/dbraw/zinc/26/09/85/380260985.db2.gz LAULUAGYXHAUPA-HUBLWGQQSA-N 0 3 268.364 3.296 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H]1CCn2ccnc21 ZINC000414304795 380211080 /nfs/dbraw/zinc/21/10/80/380211080.db2.gz RAIIEYHHQKOYLD-HZPDHXFCSA-N 0 3 267.376 3.105 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]2Cc2ccccc2)cc1 ZINC000354010422 380276817 /nfs/dbraw/zinc/27/68/17/380276817.db2.gz QCHUBCYEKPZRIS-GOSISDBHSA-N 0 3 262.356 3.375 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ccc(C)nn1 ZINC000414540748 380309103 /nfs/dbraw/zinc/30/91/03/380309103.db2.gz VCIJANSMYIPDDQ-MRXNPFEDSA-N 0 3 267.376 3.062 20 30 CGEDHN C=C(C)C(C)(C)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000643956767 380401161 /nfs/dbraw/zinc/40/11/61/380401161.db2.gz SPOUIFZVGPOZLP-YHWZYXNKSA-N 0 3 275.396 3.264 20 30 CGEDHN COc1cc(CN2CC[C@@H](CC3CC3)C2)ccc1C#N ZINC000354528680 380473179 /nfs/dbraw/zinc/47/31/79/380473179.db2.gz SJOBIQOABRZLHL-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN CC(C)OC[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418149922 380714584 /nfs/dbraw/zinc/71/45/84/380714584.db2.gz VIUBEETZWVHWEX-SUMWQHHRSA-N 0 3 272.392 3.339 20 30 CGEDHN C#CC(C)(C)N(C)CCCc1nc(-c2ccccc2)no1 ZINC000279191029 194325226 /nfs/dbraw/zinc/32/52/26/194325226.db2.gz DVTAWYIQUTVDCX-UHFFFAOYSA-N 0 3 283.375 3.013 20 30 CGEDHN CO[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356410239 380799853 /nfs/dbraw/zinc/79/98/53/380799853.db2.gz VYXHAOHAQUIHML-ZJUUUORDSA-N 0 3 286.297 3.090 20 30 CGEDHN Cc1csc([C@H](C)CNCc2ccc(C#N)c(F)c2)n1 ZINC000421347087 380888153 /nfs/dbraw/zinc/88/81/53/380888153.db2.gz UILYTEYYFQVRQM-SNVBAGLBSA-N 0 3 289.379 3.356 20 30 CGEDHN N#CCCN(CC1CC1)C[C@@H]1CCc2ccccc2C1 ZINC000359605209 381355456 /nfs/dbraw/zinc/35/54/56/381355456.db2.gz XXPLLCGTDQDKLQ-MRXNPFEDSA-N 0 3 268.404 3.417 20 30 CGEDHN CC[C@H]1[C@H](C)CCN1Cc1cn2ccccc2c1C#N ZINC000360475312 381554511 /nfs/dbraw/zinc/55/45/11/381554511.db2.gz BJDSWRHIMCWDJI-CJNGLKHVSA-N 0 3 267.376 3.431 20 30 CGEDHN COC[C@H](NCCCC(C)(C)C#N)c1ccc(C)o1 ZINC000184641934 262024990 /nfs/dbraw/zinc/02/49/90/262024990.db2.gz PTLDNFNGYMYYRD-ZDUSSCGKSA-N 0 3 264.369 3.195 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(OC3CCC3)c2)C1 ZINC000361433045 381745637 /nfs/dbraw/zinc/74/56/37/381745637.db2.gz ZDUOGKYGPZVGRN-UKRRQHHQSA-N 0 3 285.391 3.185 20 30 CGEDHN CC(C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC000361563323 381806660 /nfs/dbraw/zinc/80/66/60/381806660.db2.gz GCPSVEWXQXRSHL-PNESKVBLSA-N 0 3 250.386 3.115 20 30 CGEDHN C=CCCC[C@H](C)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000361648890 381857811 /nfs/dbraw/zinc/85/78/11/381857811.db2.gz VINUEFSLZJZICU-JYJNAYRXSA-N 0 3 267.413 3.001 20 30 CGEDHN N#Cc1ccc(CNC2CC(c3ccc(F)cc3)C2)o1 ZINC000353782563 220327978 /nfs/dbraw/zinc/32/79/78/220327978.db2.gz ULCHIIUTOQMTGA-UHFFFAOYSA-N 0 3 270.307 3.326 20 30 CGEDHN C=CC[C@H](C)N[C@H](c1cnn(C)c1)c1ccccc1 ZINC000282260299 542385369 /nfs/dbraw/zinc/38/53/69/542385369.db2.gz JWXCCUBMXWANIZ-BBRMVZONSA-N 0 3 255.365 3.064 20 30 CGEDHN Cc1cc(C)c(C#N)c(NCCN(C)Cc2ccccc2)n1 ZINC000350223431 219000483 /nfs/dbraw/zinc/00/04/83/219000483.db2.gz STPRVMANBNFWLR-UHFFFAOYSA-N 0 3 294.402 3.114 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000347100886 533115941 /nfs/dbraw/zinc/11/59/41/533115941.db2.gz CNTUQORMHLIZLV-WFASDCNBSA-N 0 3 256.349 3.194 20 30 CGEDHN COC(=O)C(C)(C)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425365288 533126383 /nfs/dbraw/zinc/12/63/83/533126383.db2.gz JVKQPTFRDDKXIA-CYBMUJFWSA-N 0 3 288.391 3.140 20 30 CGEDHN COc1cc(F)cc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000193066600 262215774 /nfs/dbraw/zinc/21/57/74/262215774.db2.gz PEOHKDXDIUDHME-FZMZJTMJSA-N 0 3 262.328 3.006 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000192730779 262209303 /nfs/dbraw/zinc/20/93/03/262209303.db2.gz DJBCYAZIJIAXJI-UMVBOHGHSA-N 0 3 260.381 3.469 20 30 CGEDHN C[C@@H](NCCC1CCOCC1)c1ccc(C#N)cc1F ZINC000358571731 533375857 /nfs/dbraw/zinc/37/58/57/533375857.db2.gz POWNJWKCMRTEEY-GFCCVEGCSA-N 0 3 276.355 3.165 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1CC(C)(C)C[C@@H]1C ZINC000412046201 533504183 /nfs/dbraw/zinc/50/41/83/533504183.db2.gz QQSANWMKXYLPOZ-ZDUSSCGKSA-N 0 3 288.391 3.066 20 30 CGEDHN CCCCOc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000190780144 130145535 /nfs/dbraw/zinc/14/55/35/130145535.db2.gz DUIILZYJXLZBJD-UHFFFAOYSA-N 0 3 297.402 3.365 20 30 CGEDHN Cn1cc(CN2CCC(c3ccsc3)CC2)cc1C#N ZINC000191516697 130248509 /nfs/dbraw/zinc/24/85/09/130248509.db2.gz HHRPRMHAZVZPTK-UHFFFAOYSA-N 0 3 285.416 3.338 20 30 CGEDHN CCN(CCOC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060477464 392122767 /nfs/dbraw/zinc/12/27/67/392122767.db2.gz BSGALANPYOJEOL-CQSZACIVSA-N 0 3 260.381 3.366 20 30 CGEDHN CN(Cc1ccc([S@@](C)=O)cc1)CC(C)(C)CCC#N ZINC000093713369 392239660 /nfs/dbraw/zinc/23/96/60/392239660.db2.gz ZDZZQMYLCBYASJ-FQEVSTJZSA-N 0 3 292.448 3.186 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000361239243 392260426 /nfs/dbraw/zinc/26/04/26/392260426.db2.gz TWTTYTUMMJUCPT-CVEARBPZSA-N 0 3 290.382 3.379 20 30 CGEDHN CC(C)O[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000361239244 392261117 /nfs/dbraw/zinc/26/11/17/392261117.db2.gz TWTTYTUMMJUCPT-HOTGVXAUSA-N 0 3 290.382 3.379 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000289373144 392421039 /nfs/dbraw/zinc/42/10/39/392421039.db2.gz LQOGIERGNZVFPD-MRVPVSSYSA-N 0 3 259.683 3.053 20 30 CGEDHN C=C[C@@H](CO)N[C@H](CC)c1ccc(OCC)c(OCC)c1 ZINC000289747195 392431572 /nfs/dbraw/zinc/43/15/72/392431572.db2.gz KWPJBIRMSWBRIQ-LSDHHAIUSA-N 0 3 293.407 3.072 20 30 CGEDHN CC(C)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000293189344 392521590 /nfs/dbraw/zinc/52/15/90/392521590.db2.gz QDHYRQNLGCKENB-WMLDXEAASA-N 0 3 272.392 3.366 20 30 CGEDHN Cc1ccc(CN(CCOCCC#N)C2CC2)cc1C ZINC000293274066 392523599 /nfs/dbraw/zinc/52/35/99/392523599.db2.gz YARFANLLKHZKRY-UHFFFAOYSA-N 0 3 272.392 3.198 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000371680074 392544650 /nfs/dbraw/zinc/54/46/50/392544650.db2.gz HINLIMXLGLDQJA-SFHVURJKSA-N 0 3 277.371 3.018 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(=O)n2c(C)cccc2n1 ZINC000150887426 392481866 /nfs/dbraw/zinc/48/18/66/392481866.db2.gz MKVPRRUFLLVLHU-UHFFFAOYSA-N 0 3 299.418 3.181 20 30 CGEDHN CC#CCCN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000155978520 392544991 /nfs/dbraw/zinc/54/49/91/392544991.db2.gz UEXGGQHSDJLMJF-KGLIPLIRSA-N 0 3 263.406 3.049 20 30 CGEDHN C=C(C)[C@@H](NC[C@H](O)CCC)c1ccc(F)c(F)c1 ZINC000295631928 392549924 /nfs/dbraw/zinc/54/99/24/392549924.db2.gz BITLKYNDHOPBTM-IUODEOHRSA-N 0 3 269.335 3.333 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000374410276 392678124 /nfs/dbraw/zinc/67/81/24/392678124.db2.gz GTALLMVMSOSWQV-HOTGVXAUSA-N 0 3 289.806 3.050 20 30 CGEDHN CC(C#N)C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000334212115 392712301 /nfs/dbraw/zinc/71/23/01/392712301.db2.gz HUYPZYBARAUBIP-XHDPSFHLSA-N 0 3 292.329 3.235 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OCC(F)F)cc1 ZINC000181052186 392716977 /nfs/dbraw/zinc/71/69/77/392716977.db2.gz DJEXDPHVJAXEBO-UHFFFAOYSA-N 0 3 255.308 3.338 20 30 CGEDHN Cc1cc(C)nc(NCc2c(F)cc(C#N)cc2F)c1 ZINC000192748784 392860660 /nfs/dbraw/zinc/86/06/60/392860660.db2.gz AZFZXGOEICMRBI-UHFFFAOYSA-N 0 3 273.286 3.460 20 30 CGEDHN C[C@@H](c1cc2ccccc2o1)N(C)CCOCCC#N ZINC000338879794 392933700 /nfs/dbraw/zinc/93/37/00/392933700.db2.gz HSKCLXDMJNIWCU-ZDUSSCGKSA-N 0 3 272.348 3.356 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cnn(Cc2ccccc2)c1 ZINC000339085977 392947671 /nfs/dbraw/zinc/94/76/71/392947671.db2.gz SXXAADFRFMKQSM-LESCRADOSA-N 0 3 294.402 3.274 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000459634638 392947001 /nfs/dbraw/zinc/94/70/01/392947001.db2.gz OREDMNJYWCQNMN-BETUJISGSA-N 0 3 298.308 3.234 20 30 CGEDHN CC#CCN(C)CCC(=O)Nc1cccc2ccccc21 ZINC000411773149 392989136 /nfs/dbraw/zinc/98/91/36/392989136.db2.gz SIOTWVMOYLHJEZ-UHFFFAOYSA-N 0 3 280.371 3.124 20 30 CGEDHN CO[C@@](C)([C@H](C)NCC#Cc1ccccc1Cl)C1CC1 ZINC000411962820 392990253 /nfs/dbraw/zinc/99/02/53/392990253.db2.gz BPVSDUPRENGENM-GUYCJALGSA-N 0 3 291.822 3.485 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H]2C(C)C)cc1OC ZINC000342861091 393009932 /nfs/dbraw/zinc/00/99/32/393009932.db2.gz LJAQNZOJNBINTL-OAHLLOKOSA-N 0 3 275.392 3.490 20 30 CGEDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000343312982 393025070 /nfs/dbraw/zinc/02/50/70/393025070.db2.gz FSLDULMLHCNTIJ-GDBMZVCRSA-N 0 3 254.377 3.243 20 30 CGEDHN C[C@@H]1CC(C)(C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000413968276 393035828 /nfs/dbraw/zinc/03/58/28/393035828.db2.gz ARMYBGUHHSVOLS-GDBMZVCRSA-N 0 3 284.403 3.406 20 30 CGEDHN C[C@H](C#N)CN(C)CC1CCC(C(F)(F)F)CC1 ZINC000344510673 393044692 /nfs/dbraw/zinc/04/46/92/393044692.db2.gz HOIHBAWPBKHOBB-VOMCLLRMSA-N 0 3 262.319 3.447 20 30 CGEDHN CC[C@H]1C[C@H](C)CN1Cc1cn2ccccc2c1C#N ZINC000466915336 393068560 /nfs/dbraw/zinc/06/85/60/393068560.db2.gz JFIWEKVHIPXHIB-ZFWWWQNUSA-N 0 3 267.376 3.431 20 30 CGEDHN C=C(C)CN(C)Cc1cc2cc(Cl)cnc2o1 ZINC000648504849 393070015 /nfs/dbraw/zinc/07/00/15/393070015.db2.gz FGJIBLUUWPKLRY-UHFFFAOYSA-N 0 3 250.729 3.489 20 30 CGEDHN C[C@H](CCC#N)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000351223226 393167868 /nfs/dbraw/zinc/16/78/68/393167868.db2.gz HQSUWIKBDZGBEH-CYBMUJFWSA-N 0 3 276.355 3.361 20 30 CGEDHN N=C(NCCOC1CCCCC1)Nc1cc(F)ccc1F ZINC000262318095 393145391 /nfs/dbraw/zinc/14/53/91/393145391.db2.gz UZALHICDRBKLDG-UHFFFAOYSA-N 0 3 297.349 3.041 20 30 CGEDHN C[C@H](O)CN(Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000263789656 393154007 /nfs/dbraw/zinc/15/40/07/393154007.db2.gz QBUPYRGTSOYQHQ-ZDUSSCGKSA-N 0 3 290.382 3.213 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)CC1CCCC1 ZINC000355295010 393296848 /nfs/dbraw/zinc/29/68/48/393296848.db2.gz QSNJVCLHVOISKP-INIZCTEOSA-N 0 3 277.408 3.251 20 30 CGEDHN CCC(O)(CC)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000471800200 393307149 /nfs/dbraw/zinc/30/71/49/393307149.db2.gz QWZFXVNIHFGDJI-GFCCVEGCSA-N 0 3 278.371 3.289 20 30 CGEDHN CN(CCSc1ncccc1C#N)Cc1ccccc1 ZINC000279105125 393330277 /nfs/dbraw/zinc/33/02/77/393330277.db2.gz ORDQQVZXOBUIFB-UHFFFAOYSA-N 0 3 283.400 3.177 20 30 CGEDHN N#CCCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324276 393347699 /nfs/dbraw/zinc/34/76/99/393347699.db2.gz BTYQKMFIMZWDKP-OAHLLOKOSA-N 0 3 273.336 3.256 20 30 CGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000356340949 393423190 /nfs/dbraw/zinc/42/31/90/393423190.db2.gz PJEJPSPRHQJJTB-CYBMUJFWSA-N 0 3 298.308 3.188 20 30 CGEDHN COc1cc(CNCc2cc(C)c(O)c(C)c2)ccc1C#N ZINC000356367777 393428865 /nfs/dbraw/zinc/42/88/65/393428865.db2.gz OOSOKBSQAKFCRJ-UHFFFAOYSA-N 0 3 296.370 3.179 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429565172 393482118 /nfs/dbraw/zinc/48/21/18/393482118.db2.gz HBHJVNRADIYNOY-IUODEOHRSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H]1C[C@@H]1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000488316569 393485747 /nfs/dbraw/zinc/48/57/47/393485747.db2.gz GJYVFAZCPNEWAX-MXASKKJJSA-N 0 3 254.377 3.414 20 30 CGEDHN N#CCC1(CNCc2cnc(-c3ccco3)s2)CC1 ZINC000430018781 393512003 /nfs/dbraw/zinc/51/20/03/393512003.db2.gz DHFNCCLPBBALQP-UHFFFAOYSA-N 0 3 273.361 3.187 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000359142561 393538340 /nfs/dbraw/zinc/53/83/40/393538340.db2.gz MCQJCYVLJZDQGV-JTQLQIEISA-N 0 3 294.757 3.377 20 30 CGEDHN C=CC1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000360287543 393563134 /nfs/dbraw/zinc/56/31/34/393563134.db2.gz WBYRANFWZRUYQF-KRWDZBQOSA-N 0 3 284.403 3.080 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOC(F)(F)F ZINC000360882490 393605715 /nfs/dbraw/zinc/60/57/15/393605715.db2.gz DUDRFHIVEHUOLX-AWEZNQCLSA-N 0 3 298.308 3.452 20 30 CGEDHN CN(C)[C@H](CNc1ccc(F)cc1C#N)c1ccsc1 ZINC000361161261 393689793 /nfs/dbraw/zinc/68/97/93/393689793.db2.gz HTJBXWOEMNLCDM-OAHLLOKOSA-N 0 3 289.379 3.474 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)C)nc2)nc(C)n1 ZINC000435749040 393715381 /nfs/dbraw/zinc/71/53/81/393715381.db2.gz HZAHHXINPILDMS-CQSZACIVSA-N 0 3 294.358 3.102 20 30 CGEDHN COC1(CN[C@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000453220620 394208876 /nfs/dbraw/zinc/20/88/76/394208876.db2.gz JDIFQAMNTCLMPK-GFCCVEGCSA-N 0 3 276.355 3.307 20 30 CGEDHN C=CCCCCCN(C)C(=O)Nc1cccc(CN)c1 ZINC000667728133 542923361 /nfs/dbraw/zinc/92/33/61/542923361.db2.gz NAFJZOOANGLGJS-UHFFFAOYSA-N 0 3 275.396 3.355 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)CC(C)C ZINC000417360090 285608727 /nfs/dbraw/zinc/60/87/27/285608727.db2.gz JKEILNBFBJXYPA-CZUORRHYSA-N 0 3 260.381 3.270 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(COC)on1 ZINC000668434670 543012565 /nfs/dbraw/zinc/01/25/65/543012565.db2.gz PWLHHQPPSFNNFS-SWLSCSKDSA-N 0 3 264.369 3.046 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000668493465 543020821 /nfs/dbraw/zinc/02/08/21/543020821.db2.gz NYBQAMZDIJNGOS-CYBMUJFWSA-N 0 3 291.391 3.198 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000671245055 543164036 /nfs/dbraw/zinc/16/40/36/543164036.db2.gz XVVUUDKNQPLRJO-MRXNPFEDSA-N 0 3 281.346 3.081 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)s1 ZINC000041562693 397611919 /nfs/dbraw/zinc/61/19/19/397611919.db2.gz PUJURZNKNRFJLG-ZDUSSCGKSA-N 0 3 285.372 3.262 20 30 CGEDHN C=CC[C@H](CC)NCc1ncc(Br)s1 ZINC000308567965 397681737 /nfs/dbraw/zinc/68/17/37/397681737.db2.gz BEQAAFKSWZFCCI-QMMMGPOBSA-N 0 3 275.215 3.350 20 30 CGEDHN C=C(C)[C@@H](CO)N(CC)Cc1cccc(Cl)c1 ZINC000677951733 543474596 /nfs/dbraw/zinc/47/45/96/543474596.db2.gz RPZNYOHOXZJDMC-CQSZACIVSA-N 0 3 253.773 3.099 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](n2ccnc2)C1 ZINC000678234232 543498811 /nfs/dbraw/zinc/49/88/11/543498811.db2.gz ATQQIXCYCKHZGC-KRWDZBQOSA-N 0 3 297.402 3.285 20 30 CGEDHN C=CCOc1ccccc1CN1CCCOC(C)(C)C1 ZINC000678271758 543507808 /nfs/dbraw/zinc/50/78/08/543507808.db2.gz FBXMLVGDENFZHP-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOc1cccc(CN2CCCOC(C)(C)C2)c1 ZINC000678271976 543507396 /nfs/dbraw/zinc/50/73/96/543507396.db2.gz WKAHYZNKQBXHKY-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccco3)C2)c(F)c1 ZINC000068991133 165047489 /nfs/dbraw/zinc/04/74/89/165047489.db2.gz BTOZIJLYEYMYKU-CQSZACIVSA-N 0 3 299.349 3.049 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C)[C@H]2C)cc1C#N ZINC000087833362 165188938 /nfs/dbraw/zinc/18/89/38/165188938.db2.gz RUXDSQRWWLUTFH-QWHCGFSZSA-N 0 3 258.365 3.187 20 30 CGEDHN CC[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000087833177 165189355 /nfs/dbraw/zinc/18/93/55/165189355.db2.gz YUGKUIUZYPRBHB-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000078759280 177383292 /nfs/dbraw/zinc/38/32/92/177383292.db2.gz ILZCUANFEPJRBW-INIZCTEOSA-N 0 3 292.467 3.335 20 30 CGEDHN Cc1[nH]c2ccccc2c1C(=O)C(C#N)c1ccccn1 ZINC000049457232 416473051 /nfs/dbraw/zinc/47/30/51/416473051.db2.gz UZNKTCZBILWFLJ-CYBMUJFWSA-N 0 3 275.311 3.361 20 30 CGEDHN Cc1cc(C#N)cc(N[C@H](C)CN(C)Cc2ccccc2)n1 ZINC000309832728 416530585 /nfs/dbraw/zinc/53/05/85/416530585.db2.gz SQUXQHPEVJXVGP-OAHLLOKOSA-N 0 3 294.402 3.194 20 30 CGEDHN CC[C@@H](CN(CC)CC#CCOC)c1ccccc1 ZINC000681481332 543790003 /nfs/dbraw/zinc/79/00/03/543790003.db2.gz MZEGGIWAYURWIU-INIZCTEOSA-N 0 3 259.393 3.152 20 30 CGEDHN C=CCN1CCC(NC(=O)NC[C@@H](CC)CCCC)CC1 ZINC000171694974 335074970 /nfs/dbraw/zinc/07/49/70/335074970.db2.gz DNONFFGXPIYYFN-HNNXBMFYSA-N 0 3 295.471 3.152 20 30 CGEDHN C[C@H](CCC#N)N1CCC(F)(c2cccnc2)CC1 ZINC000411701460 262704338 /nfs/dbraw/zinc/70/43/38/262704338.db2.gz OUZFYVHOLOQKLZ-CYBMUJFWSA-N 0 3 261.344 3.034 20 30 CGEDHN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)C(C)C#N)CC1 ZINC000336558464 227115101 /nfs/dbraw/zinc/11/51/01/227115101.db2.gz RWIXZMZKMBSGGG-CYBMUJFWSA-N 0 3 293.370 3.252 20 30 CGEDHN C[C@H](C#N)CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000336613685 227181512 /nfs/dbraw/zinc/18/15/12/227181512.db2.gz KTMLOVHDALIHHH-ZYHUDNBSSA-N 0 3 293.208 3.056 20 30 CGEDHN C=CCN(CC[C@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000660169418 419093361 /nfs/dbraw/zinc/09/33/61/419093361.db2.gz HVVPALRSJOCQLW-OAHLLOKOSA-N 0 3 288.416 3.140 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000660446977 419145878 /nfs/dbraw/zinc/14/58/78/419145878.db2.gz VSMXDDNKAODRSY-ZWKOTPCHSA-N 0 3 289.419 3.116 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661396598 419256606 /nfs/dbraw/zinc/25/66/06/419256606.db2.gz BHSXDGCFDHIYJW-HNNXBMFYSA-N 0 3 295.471 3.247 20 30 CGEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000661506768 419267566 /nfs/dbraw/zinc/26/75/66/419267566.db2.gz PBLZDZBFIHWRDH-HNNXBMFYSA-N 0 3 295.471 3.247 20 30 CGEDHN C=CCOc1ccccc1CNCCC(C)(C)F ZINC000657644513 419318274 /nfs/dbraw/zinc/31/82/74/419318274.db2.gz MOKQRKDAUVQJDU-UHFFFAOYSA-N 0 3 251.345 3.479 20 30 CGEDHN C=CCCn1cc(CNCC2(C)CCC(C)CC2)nn1 ZINC000657456999 419283496 /nfs/dbraw/zinc/28/34/96/419283496.db2.gz OENARZCHRMFPFP-UHFFFAOYSA-N 0 3 276.428 3.160 20 30 CGEDHN FCC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000661691083 419285935 /nfs/dbraw/zinc/28/59/35/419285935.db2.gz SDJJYAPRBVCPHG-HNNXBMFYSA-N 0 3 263.331 3.249 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000657554989 419303282 /nfs/dbraw/zinc/30/32/82/419303282.db2.gz RYEQUFUEKZCXBJ-CMPLNLGQSA-N 0 3 285.313 3.330 20 30 CGEDHN C=CCCNCc1ccc(Br)cc1OC ZINC000657582712 419309655 /nfs/dbraw/zinc/30/96/55/419309655.db2.gz BGAUDSSUVYCLDI-UHFFFAOYSA-N 0 3 270.170 3.123 20 30 CGEDHN C=CCCCCN[C@H](CC)c1nnc2n1CCCCC2 ZINC000661943078 419313902 /nfs/dbraw/zinc/31/39/02/419313902.db2.gz VRGJRMWHMJUCHX-CQSZACIVSA-N 0 3 276.428 3.402 20 30 CGEDHN C=CCC1(NCc2ccc(F)c(F)c2F)CCOCC1 ZINC000657634754 419317429 /nfs/dbraw/zinc/31/74/29/419317429.db2.gz PZSBLIQGUQDKLB-UHFFFAOYSA-N 0 3 285.309 3.319 20 30 CGEDHN C=CCOCCCNCc1cnc(C2CCCC2)s1 ZINC000657658194 419320677 /nfs/dbraw/zinc/32/06/77/419320677.db2.gz OUTIQBCPOIYSEO-UHFFFAOYSA-N 0 3 280.437 3.483 20 30 CGEDHN C=CCOCCCNCc1cc2cc(OC)ccc2o1 ZINC000657658469 419320819 /nfs/dbraw/zinc/32/08/19/419320819.db2.gz ZFFDLLDGHUYVSH-UHFFFAOYSA-N 0 3 275.348 3.124 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1c2ccccc2C[C@H]1C ZINC000662077609 419332849 /nfs/dbraw/zinc/33/28/49/419332849.db2.gz CYFHYHOZAMUXQV-OIISXLGYSA-N 0 3 296.414 3.147 20 30 CGEDHN COCCN(Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000352019142 228174602 /nfs/dbraw/zinc/17/46/02/228174602.db2.gz DDJHGBXQFYGUKK-UHFFFAOYSA-N 0 3 272.392 3.099 20 30 CGEDHN Cc1c2ccccc2n(C)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000336233012 228218586 /nfs/dbraw/zinc/21/85/86/228218586.db2.gz YQAVLKBZZHRESA-ZIAGYGMSSA-N 0 3 267.376 3.269 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nncn1-c1ccccc1 ZINC000657835369 419378868 /nfs/dbraw/zinc/37/88/68/419378868.db2.gz PQJRGASWOVXQHZ-NVXWUHKLSA-N 0 3 296.418 3.492 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000662953657 419509256 /nfs/dbraw/zinc/50/92/56/419509256.db2.gz OEGUBJRNPPYXLJ-HIFRSBDPSA-N 0 3 274.408 3.184 20 30 CGEDHN C=CCCN[C@@H](C)c1ncc(Br)cc1F ZINC000658114805 419587960 /nfs/dbraw/zinc/58/79/60/419587960.db2.gz RFIVJFLJDHXZAZ-QMMMGPOBSA-N 0 3 273.149 3.210 20 30 CGEDHN C=CCOCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000658205045 419658563 /nfs/dbraw/zinc/65/85/63/419658563.db2.gz DPZMEKDIQHDZKM-GFCCVEGCSA-N 0 3 285.309 3.274 20 30 CGEDHN COc1cc(C#N)ccc1CN1[C@H](C)CCC[C@H]1C ZINC000120913355 274090880 /nfs/dbraw/zinc/09/08/80/274090880.db2.gz BABZXCAOZMLQOI-CHWSQXEVSA-N 0 3 258.365 3.330 20 30 CGEDHN N#CC1(c2ccccc2)CC(NCc2cccs2)C1 ZINC000086036415 260206732 /nfs/dbraw/zinc/20/67/32/260206732.db2.gz AAWOZDKJLMYTEC-UHFFFAOYSA-N 0 3 268.385 3.462 20 30 CGEDHN N#CCC1(CNCc2cccc(C(F)(F)F)c2)CC1 ZINC000088249446 260229810 /nfs/dbraw/zinc/22/98/10/260229810.db2.gz KSOSFXFMIZCGBS-UHFFFAOYSA-N 0 3 268.282 3.489 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc(F)c(C)c2)n1 ZINC000103635537 261285603 /nfs/dbraw/zinc/28/56/03/261285603.db2.gz YHRUWDJYIHWSCF-LLVKDONJSA-N 0 3 274.320 3.389 20 30 CGEDHN CC(C)Oc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000185782499 262070667 /nfs/dbraw/zinc/07/06/67/262070667.db2.gz JPHQWBPAFUMMQU-ZFWWWQNUSA-N 0 3 273.380 3.041 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCCOc2cccc(Cl)c2)C1 ZINC000185791515 262071305 /nfs/dbraw/zinc/07/13/05/262071305.db2.gz SKZDFTNOBYBQCQ-JSGCOSHPSA-N 0 3 278.783 3.391 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Cn3cccn3)cc2)C1 ZINC000192630664 262206678 /nfs/dbraw/zinc/20/66/78/262206678.db2.gz ZNYWKPPWCJYHEH-ROUUACIJSA-N 0 3 294.402 3.103 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000192659162 262207489 /nfs/dbraw/zinc/20/74/89/262207489.db2.gz AXBOWBHKCWWDPT-FUHWJXTLSA-N 0 3 294.402 3.103 20 30 CGEDHN CC(C)(O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000193304945 262220046 /nfs/dbraw/zinc/22/00/46/262220046.db2.gz DIPDURRPRBBRSZ-GOEBONIOSA-N 0 3 272.392 3.086 20 30 CGEDHN CCO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000193429811 262221960 /nfs/dbraw/zinc/22/19/60/262221960.db2.gz BFCCUCCDEFGSFK-USXIJHARSA-N 0 3 272.392 3.436 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(OCCC(C)C)cc1 ZINC000184287697 262276706 /nfs/dbraw/zinc/27/67/06/262276706.db2.gz DGZCEHJCMGLWAH-MRXNPFEDSA-N 0 3 277.408 3.138 20 30 CGEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccn1 ZINC000391148589 262383641 /nfs/dbraw/zinc/38/36/41/262383641.db2.gz VQPHKZWHIFLPGN-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN CCCCOC1CCN(CCC(C)(C)C#N)CC1 ZINC000336735467 262386929 /nfs/dbraw/zinc/38/69/29/262386929.db2.gz XGXDDNTUDYSPDT-UHFFFAOYSA-N 0 3 252.402 3.207 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccc(C(=O)OC)o1 ZINC000414533947 262985310 /nfs/dbraw/zinc/98/53/10/262985310.db2.gz JHPFRXSYAZRBJJ-HNNXBMFYSA-N 0 3 299.370 3.343 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1cccc(N2CCCC2=O)c1 ZINC000272037698 263001515 /nfs/dbraw/zinc/00/15/15/263001515.db2.gz QGPWCYDDMZREES-AWEZNQCLSA-N 0 3 299.418 3.404 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCCOc2ccccc2Cl)C1 ZINC000274220721 263022082 /nfs/dbraw/zinc/02/20/82/263022082.db2.gz PQWKYDLTIHULBB-OLZOCXBDSA-N 0 3 278.783 3.391 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000452018292 263027065 /nfs/dbraw/zinc/02/70/65/263027065.db2.gz QLAZUNAZXDSACT-HZPDHXFCSA-N 0 3 277.795 3.239 20 30 CGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000274611957 263027667 /nfs/dbraw/zinc/02/76/67/263027667.db2.gz KNCMPXPIBGIYPH-FPMFFAJLSA-N 0 3 274.412 3.289 20 30 CGEDHN C=CCCN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000276144696 263034964 /nfs/dbraw/zinc/03/49/64/263034964.db2.gz OAQSARIQDVBXBM-UHFFFAOYSA-N 0 3 294.402 3.472 20 30 CGEDHN C[C@H](NCCCC(C)(C)C#N)c1c(F)cncc1F ZINC000285734030 263095522 /nfs/dbraw/zinc/09/55/22/263095522.db2.gz QADMGDXOLLGQOH-JTQLQIEISA-N 0 3 267.323 3.340 20 30 CGEDHN C=C(Cl)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285822759 263095928 /nfs/dbraw/zinc/09/59/28/263095928.db2.gz GUOAMRRODQWRFP-OWCLPIDISA-N 0 3 277.795 3.243 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](C)N1C ZINC000293377889 263139696 /nfs/dbraw/zinc/13/96/96/263139696.db2.gz JPMPMJHLFBQDBB-GASCZTMLSA-N 0 3 285.435 3.012 20 30 CGEDHN CCN(CCOCCC#N)Cc1ccc(Cl)cc1 ZINC000293470872 263141562 /nfs/dbraw/zinc/14/15/62/263141562.db2.gz LUGSAJGBRQOBLN-UHFFFAOYSA-N 0 3 266.772 3.092 20 30 CGEDHN CCCC[C@H](NCCOCCC#N)c1ccc(OC)cc1 ZINC000293799355 263149803 /nfs/dbraw/zinc/14/98/03/263149803.db2.gz NEAUIHRCCMJWLY-KRWDZBQOSA-N 0 3 290.407 3.446 20 30 CGEDHN Cc1cc(C)c2c(c1)CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000294574554 263163981 /nfs/dbraw/zinc/16/39/81/263163981.db2.gz MGXDOTDTFRGQKI-ZBFHGGJFSA-N 0 3 254.377 3.354 20 30 CGEDHN C[C@H](CCC#N)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000298175982 263215528 /nfs/dbraw/zinc/21/55/28/263215528.db2.gz RBNIAESAFOXVLQ-CQSZACIVSA-N 0 3 283.375 3.094 20 30 CGEDHN C=CCCCN[C@H](CCSC)c1nnc2ccccn21 ZINC000119985964 263281311 /nfs/dbraw/zinc/28/13/11/263281311.db2.gz WVSOLAPUEUNGFA-CYBMUJFWSA-N 0 3 290.436 3.079 20 30 CGEDHN C=CCCC[C@@H](C)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000340893504 263312568 /nfs/dbraw/zinc/31/25/68/263312568.db2.gz KXVQCDSHWSKCQS-VXGBXAGGSA-N 0 3 265.319 3.120 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H]1CCSc2ccc(F)cc21 ZINC000341882186 263361801 /nfs/dbraw/zinc/36/18/01/263361801.db2.gz GOHHYGGWSCDQPD-RISCZKNCSA-N 0 3 281.396 3.137 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000341977804 263368879 /nfs/dbraw/zinc/36/88/79/263368879.db2.gz BZJHCEGOGSPBFJ-UHFFFAOYSA-N 0 3 296.773 3.460 20 30 CGEDHN C#CCCN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000070191076 264224466 /nfs/dbraw/zinc/22/44/66/264224466.db2.gz POIKYYGXRDYCBG-JTQLQIEISA-N 0 3 282.181 3.132 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]1C ZINC000072875237 264272880 /nfs/dbraw/zinc/27/28/80/264272880.db2.gz VRQRIDPAKIMTBS-KGLIPLIRSA-N 0 3 292.448 3.136 20 30 CGEDHN C=C[C@H](C)NCc1ccc(F)c(Br)c1 ZINC000130455033 264352705 /nfs/dbraw/zinc/35/27/05/264352705.db2.gz FRSUMJOWPDSBOU-QMMMGPOBSA-N 0 3 258.134 3.252 20 30 CGEDHN C=C(C)COCCN[C@@H]1CC(C)(C)Cc2occc21 ZINC000090451278 264395543 /nfs/dbraw/zinc/39/55/43/264395543.db2.gz VBICKFJTUHOLCN-CQSZACIVSA-N 0 3 263.381 3.475 20 30 CGEDHN Cc1ccc(CN(C)CCOc2ccccc2C#N)cc1 ZINC000034674356 270027575 /nfs/dbraw/zinc/02/75/75/270027575.db2.gz YGTBUUQLDGDTEU-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN COC[C@@H]1CCCN1Cc1c(C#N)ccc2ccccc21 ZINC000527532992 270128663 /nfs/dbraw/zinc/12/86/63/270128663.db2.gz GEBORTJOOBHFGA-INIZCTEOSA-N 0 3 280.371 3.322 20 30 CGEDHN CCC(NCc1nc(C#N)cs1)(C1CC1)C1CC1 ZINC000527764896 270134926 /nfs/dbraw/zinc/13/49/26/270134926.db2.gz OFOIWLIURYVTHO-UHFFFAOYSA-N 0 3 261.394 3.073 20 30 CGEDHN COc1ccc(C[C@@H](C)CNCC2(C#N)CCC2)cc1F ZINC000418144264 267365251 /nfs/dbraw/zinc/36/52/51/267365251.db2.gz SFHFVZFEFNKSAW-CYBMUJFWSA-N 0 3 290.382 3.296 20 30 CGEDHN CC1(C)CC[C@H](CNC2(c3cccc(C#N)c3)CC2)O1 ZINC000411468117 276117266 /nfs/dbraw/zinc/11/72/66/276117266.db2.gz FYQAFJHROOSDKX-OAHLLOKOSA-N 0 3 270.376 3.095 20 30 CGEDHN CCCN(Cc1cc(C#N)cs1)C[C@@H]1CCCCO1 ZINC000093132506 276255625 /nfs/dbraw/zinc/25/56/25/276255625.db2.gz UEVLKIRFNBOQBY-AWEZNQCLSA-N 0 3 278.421 3.401 20 30 CGEDHN CN1CCC[C@]2(CCN(c3c(Cl)cccc3C#N)C2)C1 ZINC000292896613 277087122 /nfs/dbraw/zinc/08/71/22/277087122.db2.gz WKCHRPYQDCBNHM-INIZCTEOSA-N 0 3 289.810 3.134 20 30 CGEDHN COc1cc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353596014 277837971 /nfs/dbraw/zinc/83/79/71/277837971.db2.gz LXFCCKHJADRBSD-SJKOYZFVSA-N 0 3 293.370 3.300 20 30 CGEDHN C[C@H](N[C@H](CO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000540976565 288680528 /nfs/dbraw/zinc/68/05/28/288680528.db2.gz NXOFMQKUAOIPEE-YVEFUNNKSA-N 0 3 290.382 3.289 20 30 CGEDHN N#Cc1ccc(CNCc2cccc(-n3cccn3)c2)s1 ZINC000553791741 289239786 /nfs/dbraw/zinc/23/97/86/289239786.db2.gz FMORVXPOSVDSKK-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cn2)C1(CC)CC ZINC000554364891 289275961 /nfs/dbraw/zinc/27/59/61/289275961.db2.gz RISCFGDDZRJLEL-HOTGVXAUSA-N 0 3 287.407 3.027 20 30 CGEDHN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(C)C#N ZINC000345645867 302170958 /nfs/dbraw/zinc/17/09/58/302170958.db2.gz RJAZYKRZORQTOJ-ZFWWWQNUSA-N 0 3 258.365 3.310 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000185898621 327850523 /nfs/dbraw/zinc/85/05/23/327850523.db2.gz JQHSAZUQVFHWGB-ABAIWWIYSA-N 0 3 290.794 3.447 20 30 CGEDHN N#CCCCCNCc1conc1Cc1ccccc1 ZINC000339234253 328002561 /nfs/dbraw/zinc/00/25/61/328002561.db2.gz NHGJNSDENITUPI-UHFFFAOYSA-N 0 3 269.348 3.049 20 30 CGEDHN C=CCCCCN1CCN(CC(F)F)[C@H](CC)C1 ZINC000571256168 328095656 /nfs/dbraw/zinc/09/56/56/328095656.db2.gz MSBSKGVJXFJVAV-CYBMUJFWSA-N 0 3 260.372 3.004 20 30 CGEDHN C=C1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000271184107 328195876 /nfs/dbraw/zinc/19/58/76/328195876.db2.gz ZCTYKLGPPYLGBL-UHFFFAOYSA-N 0 3 269.392 3.188 20 30 CGEDHN CCOc1cccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 ZINC000274672940 328212702 /nfs/dbraw/zinc/21/27/02/328212702.db2.gz YGYCEHSLAYFSSU-YDHLFZDLSA-N 0 3 258.365 3.428 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000282226308 328241641 /nfs/dbraw/zinc/24/16/41/328241641.db2.gz IHLZLTFBRBGHJR-CAPXZKIUSA-N 0 3 290.794 3.452 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000452592664 328259904 /nfs/dbraw/zinc/25/99/04/328259904.db2.gz QYAOPUHAYXDBOC-ISVAXAHUSA-N 0 3 280.730 3.206 20 30 CGEDHN C[C@H](NCc1cc(C#N)cs1)[C@H]1COc2ccccc21 ZINC000169108043 321912281 /nfs/dbraw/zinc/91/22/81/321912281.db2.gz ZIMQRSFCRJJMAR-XHDPSFHLSA-N 0 3 284.384 3.274 20 30 CGEDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000565539664 322081711 /nfs/dbraw/zinc/08/17/11/322081711.db2.gz HZTOCJKZGHTLOV-CJNGLKHVSA-N 0 3 297.406 3.002 20 30 CGEDHN CCC[C@H](C)[C@@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000566414116 322121133 /nfs/dbraw/zinc/12/11/33/322121133.db2.gz MGOYRYCKKOMFOH-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN COc1ccc(CCCN(C)Cc2ccc(C#N)cn2)cc1 ZINC000569062600 322233097 /nfs/dbraw/zinc/23/30/97/322233097.db2.gz UEXCMUBNLUQOJF-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)cn1 ZINC000572375170 322334001 /nfs/dbraw/zinc/33/40/01/322334001.db2.gz JJVRZJZEFSLZIQ-YOEHRIQHSA-N 0 3 277.371 3.331 20 30 CGEDHN Cc1cc(CN[C@H]2COc3cc(F)ccc3C2)ccc1C#N ZINC000572986326 322364844 /nfs/dbraw/zinc/36/48/44/322364844.db2.gz FKRZFPLVBKHRHX-QGZVFWFLSA-N 0 3 296.345 3.099 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000575321803 335093494 /nfs/dbraw/zinc/09/34/94/335093494.db2.gz JWCRDIMPNNULBO-YWPYICTPSA-N 0 3 251.345 3.192 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000568602421 327004657 /nfs/dbraw/zinc/00/46/57/327004657.db2.gz ZQVDNDDJOHHZBA-UONOGXRCSA-N 0 3 280.412 3.122 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccccc1OCC ZINC000090883436 327101529 /nfs/dbraw/zinc/10/15/29/327101529.db2.gz WNWFILDAKNLDHP-CQSZACIVSA-N 0 3 263.381 3.329 20 30 CGEDHN CC#CCN(C)CCCc1ccccc1Br ZINC000555761575 327249700 /nfs/dbraw/zinc/24/97/00/327249700.db2.gz ABFKXAQNIBQJJA-UHFFFAOYSA-N 0 3 280.209 3.337 20 30 CGEDHN CC(C)C[C@@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000560259348 327294235 /nfs/dbraw/zinc/29/42/35/327294235.db2.gz GNOSALPBUGXWRY-OAHLLOKOSA-N 0 3 271.408 3.373 20 30 CGEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cn2)C1 ZINC000583358513 327318254 /nfs/dbraw/zinc/31/82/54/327318254.db2.gz WIDPLZAOTKFBIN-LSDHHAIUSA-N 0 3 275.421 3.059 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](O)CCC(C)C ZINC000570626454 327606253 /nfs/dbraw/zinc/60/62/53/327606253.db2.gz OOJLQHURQQEIHA-INIZCTEOSA-N 0 3 277.408 3.138 20 30 CGEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)CC(C)(C)O1 ZINC000399020326 328656951 /nfs/dbraw/zinc/65/69/51/328656951.db2.gz HFPCYKMXKMUYLU-UHFFFAOYSA-N 0 3 272.392 3.142 20 30 CGEDHN CC(C)(C#N)CCCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377775867 329029046 /nfs/dbraw/zinc/02/90/46/329029046.db2.gz IDUYWQNMBGFPPY-CABCVRRESA-N 0 3 276.424 3.350 20 30 CGEDHN CC[C@@](C)(C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000582473546 329094295 /nfs/dbraw/zinc/09/42/95/329094295.db2.gz UBTOXRVIVQIYFM-SFHVURJKSA-N 0 3 299.418 3.095 20 30 CGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCOC1 ZINC000177372852 329185943 /nfs/dbraw/zinc/18/59/43/329185943.db2.gz SMQGQBZTLRCGKN-AWEZNQCLSA-N 0 3 297.320 3.025 20 30 CGEDHN CCc1noc(C)c1CN1CCC(CCC#N)CC1 ZINC000582782903 329187438 /nfs/dbraw/zinc/18/74/38/329187438.db2.gz NLGVPFDUMFXYIH-UHFFFAOYSA-N 0 3 261.369 3.061 20 30 CGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000181050947 329225591 /nfs/dbraw/zinc/22/55/91/329225591.db2.gz YIGPRMADRILQAY-UHFFFAOYSA-N 0 3 277.318 3.363 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1 ZINC000321071771 329250543 /nfs/dbraw/zinc/25/05/43/329250543.db2.gz AFNGWTIMIYHVGS-ZDUSSCGKSA-N 0 3 274.191 3.410 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@H]1COc2ccccc21 ZINC000185553634 329326600 /nfs/dbraw/zinc/32/66/00/329326600.db2.gz OCAFNHQDKBJEBE-RDTXWAMCSA-N 0 3 295.357 3.332 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000186008547 329335760 /nfs/dbraw/zinc/33/57/60/329335760.db2.gz VPSUKKFNYRSQDI-HOTGVXAUSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)[C@H](C)OC)cc1Cl ZINC000189126048 329378141 /nfs/dbraw/zinc/37/81/41/329378141.db2.gz FLMYDEQRTYSWNC-RYUDHWBXSA-N 0 3 283.799 3.418 20 30 CGEDHN C=CC[C@H](C)NCc1ccc(OC)c(OC)c1Cl ZINC000116927403 329545560 /nfs/dbraw/zinc/54/55/60/329545560.db2.gz JLQZJFJVMSRMCX-JTQLQIEISA-N 0 3 269.772 3.411 20 30 CGEDHN C[C@@]1(CCCO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000272066892 330084577 /nfs/dbraw/zinc/08/45/77/330084577.db2.gz YAQLHONOUJIHGL-KRWDZBQOSA-N 0 3 291.822 3.319 20 30 CGEDHN C#CCCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278873105 330120796 /nfs/dbraw/zinc/12/07/96/330120796.db2.gz MHVCLOKGBJZJJP-UHFFFAOYSA-N 0 3 273.351 3.134 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)Cc1ccc(Br)cc1 ZINC000191479462 330144691 /nfs/dbraw/zinc/14/46/91/330144691.db2.gz SXYXUTUYDIWCEI-WDEREUQCSA-N 0 3 281.197 3.129 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3cccc(F)c3)CC2)C1 ZINC000527936607 330297971 /nfs/dbraw/zinc/29/79/71/330297971.db2.gz POQJRVNRLAFTFO-ZFWWWQNUSA-N 0 3 288.366 3.361 20 30 CGEDHN COc1ccc([C@H](N[C@@H]2CCC[C@H](C#N)C2)C2CC2)cn1 ZINC000528042130 330305838 /nfs/dbraw/zinc/30/58/38/330305838.db2.gz DETPMCPQFYCAJC-XGWLTEMNSA-N 0 3 285.391 3.213 20 30 CGEDHN C=CCn1cc(CNCC2CCC(CCC)CC2)nn1 ZINC000424169384 330310577 /nfs/dbraw/zinc/31/05/77/330310577.db2.gz HZUSVFMNPLQBMI-UHFFFAOYSA-N 0 3 276.428 3.160 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(F)cc(C)cc1F ZINC000424190522 330322807 /nfs/dbraw/zinc/32/28/07/330322807.db2.gz MMYVGMHUPAPXKD-MLGOLLRUSA-N 0 3 281.346 3.344 20 30 CGEDHN Cc1ccc(-c2n[nH]cc2CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424190938 330323220 /nfs/dbraw/zinc/32/32/20/330323220.db2.gz GTUPHBGGIUYFIR-XJKSGUPXSA-N 0 3 280.375 3.167 20 30 CGEDHN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424192553 330323826 /nfs/dbraw/zinc/32/38/26/330323826.db2.gz JDUZSZCTUFNSQE-UONOGXRCSA-N 0 3 274.412 3.037 20 30 CGEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[C@H](C#N)C1 ZINC000424197251 330325737 /nfs/dbraw/zinc/32/57/37/330325737.db2.gz NULAKFUQEGZUQO-IZDYIRMOSA-N 0 3 285.347 3.280 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(OC)cc1Cl ZINC000424292537 330335083 /nfs/dbraw/zinc/33/50/83/330335083.db2.gz VUJRWHOHJHYYRI-VXGBXAGGSA-N 0 3 283.799 3.184 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000424323288 330340408 /nfs/dbraw/zinc/34/04/08/330340408.db2.gz IXTWMCFLRJLJRM-AXFHLTTASA-N 0 3 282.409 3.181 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000424330781 330342268 /nfs/dbraw/zinc/34/22/68/330342268.db2.gz RCVFLNIYTXYLFD-MELADBBJSA-N 0 3 258.365 3.347 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424426767 330351601 /nfs/dbraw/zinc/35/16/01/330351601.db2.gz NJBBWTWJYLSYOE-CYBMUJFWSA-N 0 3 275.396 3.320 20 30 CGEDHN C=C1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000533325274 330357421 /nfs/dbraw/zinc/35/74/21/330357421.db2.gz KQMXRLZYODCPPG-OAHLLOKOSA-N 0 3 299.336 3.261 20 30 CGEDHN C=C(C)CNCc1ccc(OC)c(OCC(=C)C)c1 ZINC000119656622 330378183 /nfs/dbraw/zinc/37/81/83/330378183.db2.gz YBLQIPBXBPXIOK-UHFFFAOYSA-N 0 3 261.365 3.316 20 30 CGEDHN C=CCCOCCN[C@H]1CCCOc2ccc(C)cc21 ZINC000090883912 330396666 /nfs/dbraw/zinc/39/66/66/330396666.db2.gz TZPVFMXOUWVWIB-INIZCTEOSA-N 0 3 275.392 3.391 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(C)ccc1OC(F)F ZINC000537092341 330398508 /nfs/dbraw/zinc/39/85/08/330398508.db2.gz STWHCXOYJUFACF-OLZOCXBDSA-N 0 3 299.361 3.432 20 30 CGEDHN C=CCN1CCC(NC(=O)c2coc3c2cccc3C)CC1 ZINC000424646599 330441396 /nfs/dbraw/zinc/44/13/96/330441396.db2.gz JKGBHHAJILSJEC-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc(CCC)cs1 ZINC000435739504 330661532 /nfs/dbraw/zinc/66/15/32/330661532.db2.gz GQVJJMKRJQXUTA-DOMZBBRYSA-N 0 3 280.437 3.166 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1ccc(F)cc1 ZINC000155625134 330690950 /nfs/dbraw/zinc/69/09/50/330690950.db2.gz FZCANRCPZHMBIH-HNNXBMFYSA-N 0 3 251.345 3.459 20 30 CGEDHN CCCC(=O)Nc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442704124 330780032 /nfs/dbraw/zinc/78/00/32/330780032.db2.gz BYAGINGBWMQCPR-GDBMZVCRSA-N 0 3 285.391 3.207 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000442783908 330782994 /nfs/dbraw/zinc/78/29/94/330782994.db2.gz USBMFXIDFIYISN-ONGXEEELSA-N 0 3 299.205 3.082 20 30 CGEDHN C=CCCCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000447356122 330865537 /nfs/dbraw/zinc/86/55/37/330865537.db2.gz BMKRNKRKFWJGGC-UHFFFAOYSA-N 0 3 293.382 3.396 20 30 CGEDHN C=CCCCC[C@@H](C)NCCS(=O)(=O)c1ccccc1 ZINC000449092054 330898591 /nfs/dbraw/zinc/89/85/91/330898591.db2.gz LAQHOENZOHMONI-OAHLLOKOSA-N 0 3 295.448 3.185 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCc3c(F)cccc32)C1 ZINC000449353201 330917845 /nfs/dbraw/zinc/91/78/45/330917845.db2.gz YWYOEEKPQFERCB-XHBSWPGZSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CC(C)(C)CNCc1cnc(-c2ccccc2OC)nc1 ZINC000449483816 330929679 /nfs/dbraw/zinc/92/96/79/330929679.db2.gz CLLPPPHOXYLRCT-UHFFFAOYSA-N 0 3 297.402 3.454 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000449694218 330944091 /nfs/dbraw/zinc/94/40/91/330944091.db2.gz AVAPUPULXBUFGA-ZDUSSCGKSA-N 0 3 280.437 3.217 20 30 CGEDHN C=C(CC)CNCc1cn(C)nc1-c1ccccc1 ZINC000449732880 330946312 /nfs/dbraw/zinc/94/63/12/330946312.db2.gz DYSPGALDFMALBL-UHFFFAOYSA-N 0 3 255.365 3.143 20 30 CGEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CCC1 ZINC000450980683 331009869 /nfs/dbraw/zinc/00/98/69/331009869.db2.gz NQHOQLJBSAQMRS-SQNIBIBYSA-N 0 3 296.414 3.185 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1cccc2Cl ZINC000451606163 331036424 /nfs/dbraw/zinc/03/64/24/331036424.db2.gz HGUHINLAGQRYEU-KFWWJZLASA-N 0 3 263.768 3.260 20 30 CGEDHN CC1(C)COC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000451815362 331043577 /nfs/dbraw/zinc/04/35/77/331043577.db2.gz ZFTFRIMOQKEUNB-AWEZNQCLSA-N 0 3 297.320 3.072 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@@]3(CCOC3)C2)c1 ZINC000451908730 331047018 /nfs/dbraw/zinc/04/70/18/331047018.db2.gz WQMXXFSRRWIGAT-QGZVFWFLSA-N 0 3 289.806 3.194 20 30 CGEDHN COC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000452098811 331054004 /nfs/dbraw/zinc/05/40/04/331054004.db2.gz GADGNCGDQNDQKM-MRXNPFEDSA-N 0 3 291.822 3.440 20 30 CGEDHN C[C@@]1(F)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000452578070 331069527 /nfs/dbraw/zinc/06/95/27/331069527.db2.gz NVSLCJBMBXJCGT-NVXWUHKLSA-N 0 3 288.366 3.110 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000453338545 331118816 /nfs/dbraw/zinc/11/88/16/331118816.db2.gz GORJVPYFISIDJF-GDLCADMTSA-N 0 3 296.798 3.128 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000453352014 331120792 /nfs/dbraw/zinc/12/07/92/331120792.db2.gz KNWLEYJDTOAKIN-GOEBONIOSA-N 0 3 287.403 3.350 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CC(C)(C)Cc2occc21 ZINC000453377766 331125263 /nfs/dbraw/zinc/12/52/63/331125263.db2.gz YQSBPRPUMGZFKP-MCIONIFRSA-N 0 3 261.365 3.226 20 30 CGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459682097 331294044 /nfs/dbraw/zinc/29/40/44/331294044.db2.gz SBAFNVPNMIRWPC-GFCCVEGCSA-N 0 3 264.417 3.327 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1nnc(C(C)(C)C)[nH]1 ZINC000459682097 331294045 /nfs/dbraw/zinc/29/40/45/331294045.db2.gz SBAFNVPNMIRWPC-GFCCVEGCSA-N 0 3 264.417 3.327 20 30 CGEDHN C=CCC[C@@H](CC)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462878386 331333846 /nfs/dbraw/zinc/33/38/46/331333846.db2.gz RSCKGOOUQDHHOE-AEFFLSMTSA-N 0 3 288.435 3.410 20 30 CGEDHN C=CCOCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000470718298 331488277 /nfs/dbraw/zinc/48/82/77/331488277.db2.gz PXUJQVGVHUFOCG-UHFFFAOYSA-N 0 3 294.826 3.055 20 30 CGEDHN C=CCCCCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000489035402 332038762 /nfs/dbraw/zinc/03/87/62/332038762.db2.gz DBJFUVNETMIKMM-QWHCGFSZSA-N 0 3 279.346 3.368 20 30 CGEDHN C=C[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000489471183 332054711 /nfs/dbraw/zinc/05/47/11/332054711.db2.gz GOABTADAOMRSJO-CQSZACIVSA-N 0 3 260.337 3.178 20 30 CGEDHN C=C[C@@H]1CCCCN1CCOc1ccccc1OC ZINC000489493412 332056444 /nfs/dbraw/zinc/05/64/44/332056444.db2.gz SEGKBDWHWSGKOD-CQSZACIVSA-N 0 3 261.365 3.115 20 30 CGEDHN C#C[C@@H](N[C@H]1CCCOCC1)c1ccc(Cl)cc1 ZINC000491630706 332253341 /nfs/dbraw/zinc/25/33/41/332253341.db2.gz NLSJEICCWSYCKP-LSDHHAIUSA-N 0 3 263.768 3.173 20 30 CGEDHN C#C[C@H](NCc1cnc(-c2ccncc2)s1)C(C)(C)C ZINC000491653054 332265721 /nfs/dbraw/zinc/26/57/21/332265721.db2.gz CFCUSNOBVDAHRJ-AWEZNQCLSA-N 0 3 285.416 3.343 20 30 CGEDHN C#C[C@H](CC)NCc1cnc(-c2ccccc2)s1 ZINC000491658988 332269954 /nfs/dbraw/zinc/26/99/54/332269954.db2.gz WSELVRNTBFSZEN-CYBMUJFWSA-N 0 3 256.374 3.312 20 30 CGEDHN C#C[C@@H](NC[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000491670891 332277966 /nfs/dbraw/zinc/27/79/66/332277966.db2.gz RDYPGMZSYWDVOV-SWLSCSKDSA-N 0 3 263.768 3.031 20 30 CGEDHN C=C(C)CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249734740 334339638 /nfs/dbraw/zinc/33/96/38/334339638.db2.gz DNRJQCUTOGSFLA-ZIAGYGMSSA-N 0 3 286.202 3.459 20 30 CGEDHN COc1ccc(CN(C)C)cc1NCC(C)(C)CCC#N ZINC000162966265 333051758 /nfs/dbraw/zinc/05/17/58/333051758.db2.gz KXEJCFGWTYQFRJ-UHFFFAOYSA-N 0 3 289.423 3.499 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000185740956 333147854 /nfs/dbraw/zinc/14/78/54/333147854.db2.gz MFPQPBHDMYIMCP-ZBFHGGJFSA-N 0 3 286.419 3.108 20 30 CGEDHN C[C@@H]1COCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000192128268 333230371 /nfs/dbraw/zinc/23/03/71/333230371.db2.gz IXSOPIOHEDSCDV-DOMZBBRYSA-N 0 3 297.320 3.072 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](O)CC(C)(C)C)cc1 ZINC000227375022 333281993 /nfs/dbraw/zinc/28/19/93/333281993.db2.gz OLZXWPIKMQNVHL-OAHLLOKOSA-N 0 3 277.408 3.138 20 30 CGEDHN CC1(C#N)CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000227521126 333284690 /nfs/dbraw/zinc/28/46/90/333284690.db2.gz HHKFEANIZFUHHJ-AWEZNQCLSA-N 0 3 270.376 3.178 20 30 CGEDHN CCc1ccc([C@H](NC(=O)C(C)C#N)C(C)C)cc1 ZINC000522846547 333296653 /nfs/dbraw/zinc/29/66/53/333296653.db2.gz LHILEGWOGRXZHT-SWLSCSKDSA-N 0 3 258.365 3.222 20 30 CGEDHN C=C(C)CN1CCC(N=c2[nH]c3cc(C)ccc3o2)CC1 ZINC000523707171 333340539 /nfs/dbraw/zinc/34/05/39/333340539.db2.gz MBTWHQOLBQSVFN-UHFFFAOYSA-N 0 3 285.391 3.011 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cc2c(s1)CCC2 ZINC000537956163 333550555 /nfs/dbraw/zinc/55/05/55/333550555.db2.gz CQONDHVCUVVIGO-GFCCVEGCSA-N 0 3 265.422 3.480 20 30 CGEDHN C[C@H]1C[C@H]1c1ccc(CNCCOc2ccc(C#N)cc2)o1 ZINC000174561936 335159008 /nfs/dbraw/zinc/15/90/08/335159008.db2.gz SCTYCYNDFMGKAC-SUMWQHHRSA-N 0 3 296.370 3.443 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000541922850 333801330 /nfs/dbraw/zinc/80/13/30/333801330.db2.gz SRHTXWYYUVKPTM-UHFFFAOYSA-N 0 3 280.375 3.202 20 30 CGEDHN CC(C)(C)OC(=O)CCCCCNCc1ccc(C#N)o1 ZINC000174643541 335162016 /nfs/dbraw/zinc/16/20/16/335162016.db2.gz KQENYOJMDNYNKF-UHFFFAOYSA-N 0 3 292.379 3.143 20 30 CGEDHN C=C(C)COCCNCc1cccc(OC)c1OC(C)C ZINC000134504706 334092657 /nfs/dbraw/zinc/09/26/57/334092657.db2.gz BSIUOAOTSDCPAY-UHFFFAOYSA-N 0 3 293.407 3.165 20 30 CGEDHN C=CCCCCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000564342727 334144200 /nfs/dbraw/zinc/14/42/00/334144200.db2.gz HFQBDGBFDXGJCA-MRXNPFEDSA-N 0 3 293.455 3.003 20 30 CGEDHN CCCC(=O)Nc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000576302746 335186986 /nfs/dbraw/zinc/18/69/86/335186986.db2.gz USASKEUCRTVURB-UKRRQHHQSA-N 0 3 285.391 3.207 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)s1)N1CCc2ccccc21 ZINC000176944818 335342462 /nfs/dbraw/zinc/34/24/62/335342462.db2.gz KTAFUOFBBCAMDJ-ZDUSSCGKSA-N 0 3 297.427 3.161 20 30 CGEDHN C=CCC[C@H](NCC(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000180043312 335544551 /nfs/dbraw/zinc/54/45/51/335544551.db2.gz FLVULMJPUATNMV-RDJZCZTQSA-N 0 3 288.435 3.444 20 30 CGEDHN Cc1ccc2c(c1)[C@H](NC1CCC(C)(C#N)CC1)CO2 ZINC000579434834 335753987 /nfs/dbraw/zinc/75/39/87/335753987.db2.gz RPRPJNWYLBCOCE-GNHJJJEISA-N 0 3 270.376 3.491 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2CCCCC2(F)F)c1 ZINC000381529183 336067742 /nfs/dbraw/zinc/06/77/42/336067742.db2.gz ABTAHPSWCSXQND-CQSZACIVSA-N 0 3 264.319 3.473 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000381973877 336079228 /nfs/dbraw/zinc/07/92/28/336079228.db2.gz KUSFVHXASZNWDL-GFCCVEGCSA-N 0 3 290.835 3.412 20 30 CGEDHN C=CC(C)(C)CNCc1ccc(OC)c(OC)c1OC ZINC000384881841 336133505 /nfs/dbraw/zinc/13/35/05/336133505.db2.gz UXVSGTGTVDNQLQ-UHFFFAOYSA-N 0 3 279.380 3.014 20 30 CGEDHN C=CCCCCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000581953210 336178442 /nfs/dbraw/zinc/17/84/42/336178442.db2.gz IJXVCYRSPVKRNX-HOCLYGCPSA-N 0 3 274.408 3.185 20 30 CGEDHN CC[C@@H](CC#N)NCCCOc1cccc(Cl)c1 ZINC000582011672 336191834 /nfs/dbraw/zinc/19/18/34/336191834.db2.gz KBYNRRHPRQHUQC-ZDUSSCGKSA-N 0 3 266.772 3.391 20 30 CGEDHN COc1cc(CNC[C@H]2CCCCC2(F)F)ccc1C#N ZINC000295206113 533884599 /nfs/dbraw/zinc/88/45/99/533884599.db2.gz ZKWVZKPKRLPJQJ-CQSZACIVSA-N 0 3 294.345 3.482 20 30 CGEDHN Cc1cc(C2CCN(Cc3ccc(CC#N)cc3)CC2)n[nH]1 ZINC000332446744 534145121 /nfs/dbraw/zinc/14/51/21/534145121.db2.gz KJMLVXHJTUGPMV-UHFFFAOYSA-N 0 3 294.402 3.164 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000347065008 534281591 /nfs/dbraw/zinc/28/15/91/534281591.db2.gz ISYQKFAGCAJVMG-SNVBAGLBSA-N 0 3 296.292 3.356 20 30 CGEDHN C=C(C)CN(CCc1ccncc1)Cc1cnn(C(C)C)c1 ZINC000352900820 526553731 /nfs/dbraw/zinc/55/37/31/526553731.db2.gz IQFXUUNIELEWJO-UHFFFAOYSA-N 0 3 298.434 3.480 20 30 CGEDHN C=CCOCCCNC1(c2nc(C)cs2)CCC1 ZINC000348057852 526760315 /nfs/dbraw/zinc/76/03/15/526760315.db2.gz UEVMUWQSMBOUTD-UHFFFAOYSA-N 0 3 266.410 3.013 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000113314919 527105080 /nfs/dbraw/zinc/10/50/80/527105080.db2.gz XRZQSJRKBFVUFA-UHFFFAOYSA-N 0 3 294.398 3.054 20 30 CGEDHN C=CCCCN(C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353664796 527191605 /nfs/dbraw/zinc/19/16/05/527191605.db2.gz YIUXCUJWCNTGMQ-UHFFFAOYSA-N 0 3 273.355 3.409 20 30 CGEDHN C=CCCCN(C)CCC(=O)c1ccc(OC)cc1 ZINC000352014134 527191696 /nfs/dbraw/zinc/19/16/96/527191696.db2.gz LTFLZKRNWIWIRY-UHFFFAOYSA-N 0 3 261.365 3.166 20 30 CGEDHN C=CCCCN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347359573 527196696 /nfs/dbraw/zinc/19/66/96/527196696.db2.gz WIFCHVGHWVNHJW-CABCVRRESA-N 0 3 277.433 3.453 20 30 CGEDHN C=CCCCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418105051 527220202 /nfs/dbraw/zinc/22/02/02/527220202.db2.gz YWARGEFZKIHYCZ-MRXNPFEDSA-N 0 3 289.423 3.075 20 30 CGEDHN C=C[C@H](CO)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000353580705 527595344 /nfs/dbraw/zinc/59/53/44/527595344.db2.gz XHAFLEJTFNOIDD-PRHODGIISA-N 0 3 272.175 3.117 20 30 CGEDHN CC(C)CCN(CCC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000352716824 527715491 /nfs/dbraw/zinc/71/54/91/527715491.db2.gz HLGNVLUKTMVAPX-LSDHHAIUSA-N 0 3 252.402 3.063 20 30 CGEDHN CCCN(CC(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411205084 527929072 /nfs/dbraw/zinc/92/90/72/527929072.db2.gz ZIBAPEGMZYUTGL-QGZVFWFLSA-N 0 3 299.418 3.032 20 30 CGEDHN CCCCN(CCCO)Cc1ccc(C#N)cc1Cl ZINC000439442792 528417993 /nfs/dbraw/zinc/41/79/93/528417993.db2.gz RZLJSSGPNNWGJZ-UHFFFAOYSA-N 0 3 280.799 3.196 20 30 CGEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000486798017 535658782 /nfs/dbraw/zinc/65/87/82/535658782.db2.gz FLCQYQHJHUARKM-WMLDXEAASA-N 0 3 299.418 3.397 20 30 CGEDHN CCCCCCCCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000729585978 571925322 /nfs/dbraw/zinc/92/53/22/571925322.db2.gz CCWCOQGKIYXOQO-MRXNPFEDSA-N 0 3 297.487 3.473 20 30 CGEDHN CCCCCCCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730792508 572376241 /nfs/dbraw/zinc/37/62/41/572376241.db2.gz BQAAOSBAAVTKEG-MRXNPFEDSA-N 0 3 280.456 3.434 20 30 CGEDHN CCCCCCCCC(=O)NC[C@H]1CCCN(C)C1 ZINC000731025995 572391033 /nfs/dbraw/zinc/39/10/33/572391033.db2.gz UIDDSZIEDWYKAV-OAHLLOKOSA-N 0 3 268.445 3.195 20 30 CGEDHN C#CCN(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000731031932 572391070 /nfs/dbraw/zinc/39/10/70/572391070.db2.gz OFEINTYKYDITJY-UHFFFAOYSA-N 0 3 281.403 3.355 20 30 CGEDHN CCCCCCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000732035052 572446266 /nfs/dbraw/zinc/44/62/66/572446266.db2.gz KGMOYIWCQBRPOS-HNNXBMFYSA-N 0 3 266.429 3.042 20 30 CGEDHN COc1ccccc1/C=C\CNCc1ccc(C#N)cc1 ZINC000726606878 572588902 /nfs/dbraw/zinc/58/89/02/572588902.db2.gz FQDSMAKYSRWWFF-XQRVVYSFSA-N 0 3 278.355 3.370 20 30 CGEDHN C#CCOc1ccccc1CNCc1cccc2cc[nH]c21 ZINC000734159468 572636655 /nfs/dbraw/zinc/63/66/55/572636655.db2.gz OSWBFLSFFOGHNF-UHFFFAOYSA-N 0 3 290.366 3.470 20 30 CGEDHN CCCCCC[C@H](C)NN=C1CCN(C)[C@@H](C)C1 ZINC000743450550 572662964 /nfs/dbraw/zinc/66/29/64/572662964.db2.gz MCEFGKKKGMRWRS-KBPBESRZSA-N 0 3 253.434 3.405 20 30 CGEDHN C=CC[C@@H](NCc1ccc(C#N)cc1)c1ccncc1 ZINC000734508727 572661912 /nfs/dbraw/zinc/66/19/12/572661912.db2.gz CVUXDPVNJPVBAM-QGZVFWFLSA-N 0 3 263.344 3.360 20 30 CGEDHN C=CCCO[C@@H](C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000743443516 572662344 /nfs/dbraw/zinc/66/23/44/572662344.db2.gz UTPLGADDSKFDBC-ZFWWWQNUSA-N 0 3 294.354 3.392 20 30 CGEDHN C=CCCCN1CCN(c2ccc(CC)cc2)CC1 ZINC000743866787 572693641 /nfs/dbraw/zinc/69/36/41/572693641.db2.gz CNKQPIFRSSEJIJ-UHFFFAOYSA-N 0 3 258.409 3.337 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccco2)c1 ZINC000744027838 572698163 /nfs/dbraw/zinc/69/81/63/572698163.db2.gz BEQWDZBOKQZQIB-JSGCOSHPSA-N 0 3 296.326 3.039 20 30 CGEDHN CC[C@@H](C)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000735309607 572714422 /nfs/dbraw/zinc/71/44/22/572714422.db2.gz QCDSKBRTLAAPBC-LLVKDONJSA-N 0 3 266.772 3.473 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccs3)nc21 ZINC000735790582 572740191 /nfs/dbraw/zinc/74/01/91/572740191.db2.gz NOBRVEVXESIOSW-GFCCVEGCSA-N 0 3 295.367 3.352 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC(C)(C)C)nc21 ZINC000735793826 572742001 /nfs/dbraw/zinc/74/20/01/572742001.db2.gz ZVGHTNGILOUIIO-NSHDSACASA-N 0 3 269.348 3.484 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC(C)(C)C)[nH]c21 ZINC000735793826 572742002 /nfs/dbraw/zinc/74/20/02/572742002.db2.gz ZVGHTNGILOUIIO-NSHDSACASA-N 0 3 269.348 3.484 20 30 CGEDHN CCCCCCC[C@H](C)CNC(=O)C1CCN(C)CC1 ZINC000746152384 572857061 /nfs/dbraw/zinc/85/70/61/572857061.db2.gz HRLNZDJMJYMAJJ-HNNXBMFYSA-N 0 3 282.472 3.441 20 30 CGEDHN COc1ccc(CNCc2cccc3[nH]ccc32)cc1C#N ZINC000746740896 572894006 /nfs/dbraw/zinc/89/40/06/572894006.db2.gz IREFPTULFSJPSM-UHFFFAOYSA-N 0 3 291.354 3.338 20 30 CGEDHN CCN1CCCC[C@H]1CNc1nc2ccccc2cc1C#N ZINC000750172240 573096482 /nfs/dbraw/zinc/09/64/82/573096482.db2.gz WOZCDMKKIJPXQD-INIZCTEOSA-N 0 3 294.402 3.393 20 30 CGEDHN C=CCC[C@H](CCC)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819733883 607000001 /nfs/dbraw/zinc/00/00/01/607000001.db2.gz DONNDUVZXKRRMA-HNNXBMFYSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCC[C@H](CCC)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819733883 607000003 /nfs/dbraw/zinc/00/00/03/607000003.db2.gz DONNDUVZXKRRMA-HNNXBMFYSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823893872 608383949 /nfs/dbraw/zinc/38/39/49/608383949.db2.gz AILCTYIRUURGMN-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823893872 608383951 /nfs/dbraw/zinc/38/39/51/608383951.db2.gz AILCTYIRUURGMN-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823893872 608383953 /nfs/dbraw/zinc/38/39/53/608383953.db2.gz AILCTYIRUURGMN-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823893872 608383955 /nfs/dbraw/zinc/38/39/55/608383955.db2.gz AILCTYIRUURGMN-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000964809320 613268966 /nfs/dbraw/zinc/26/89/66/613268966.db2.gz WDBNEUSBRPKSQR-KBPBESRZSA-N 0 3 292.448 3.155 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000970913453 613303207 /nfs/dbraw/zinc/30/32/07/613303207.db2.gz PDEBFKQDWLYIAD-AWEZNQCLSA-N 0 3 298.430 3.190 20 30 CGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cocc1C ZINC000968984658 613307062 /nfs/dbraw/zinc/30/70/62/613307062.db2.gz GJVQLATUUKZNSJ-HNNXBMFYSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885151 613323314 /nfs/dbraw/zinc/32/33/14/613323314.db2.gz CRTMELKDFWCZOB-PBHICJAKSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975027046 613337831 /nfs/dbraw/zinc/33/78/31/613337831.db2.gz NOQIZAWNLWFYRI-HUUCEWRRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974938866 613338127 /nfs/dbraw/zinc/33/81/27/613338127.db2.gz VMOISVWIMJZJOF-HUUCEWRRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852588 613341268 /nfs/dbraw/zinc/34/12/68/613341268.db2.gz YEFNJAWINORLHD-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972967826 613341411 /nfs/dbraw/zinc/34/14/11/613341411.db2.gz KNRAUTHCYWZPNR-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000950373154 613393598 /nfs/dbraw/zinc/39/35/98/613393598.db2.gz IURQYEUMJFGFKK-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968504127 613514834 /nfs/dbraw/zinc/51/48/34/613514834.db2.gz DXZCZJIJDPZPSS-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000969039281 613684894 /nfs/dbraw/zinc/68/48/94/613684894.db2.gz GPMXNXBOGVVFIR-GOSISDBHSA-N 0 3 298.430 3.490 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2occc2C(C)C)C[C@@H]1C ZINC000947652823 613763267 /nfs/dbraw/zinc/76/32/67/613763267.db2.gz FGJYCXSHEPWMJZ-UONOGXRCSA-N 0 3 290.407 3.172 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000941157529 613784793 /nfs/dbraw/zinc/78/47/93/613784793.db2.gz DHAYLQYOCMUTTN-ZBFHGGJFSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2csc(Cl)c2)C[C@@H]1C ZINC000947776820 613799364 /nfs/dbraw/zinc/79/93/64/613799364.db2.gz YNEAVMGSYFYAGK-JQWIXIFHSA-N 0 3 298.839 3.170 20 30 CGEDHN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000255013906 617741662 /nfs/dbraw/zinc/74/16/62/617741662.db2.gz AEOOQVXDPDGBHL-UGFHNGPFSA-N 0 3 292.338 3.143 20 30 CGEDHN C=C(Br)CN[C@H]1CS[C@H](C(C)C)C1 ZINC000308141327 618178517 /nfs/dbraw/zinc/17/85/17/618178517.db2.gz ISKXKYJKROXOKE-ZJUUUORDSA-N 0 3 264.232 3.015 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2CC)CCC1 ZINC000933303300 618197785 /nfs/dbraw/zinc/19/77/85/618197785.db2.gz NIKGWZOJDZNQFU-CQSZACIVSA-N 0 3 284.403 3.112 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2cccc(Cl)c2)CCC1 ZINC000933304061 618198235 /nfs/dbraw/zinc/19/82/35/618198235.db2.gz YIAMFVGUCASMCK-GFCCVEGCSA-N 0 3 290.794 3.203 20 30 CGEDHN N#CCC1(CN2CCC[C@H]2COc2ccc(F)cc2)CC1 ZINC000933927991 618383256 /nfs/dbraw/zinc/38/32/56/618383256.db2.gz WZDDAQJVHNTSON-HNNXBMFYSA-N 0 3 288.366 3.363 20 30 CGEDHN N#Cc1cc(Cl)ccc1CN[C@H](CCO)C1CCCC1 ZINC000934009985 618418972 /nfs/dbraw/zinc/41/89/72/618418972.db2.gz QTLHAMNQOLCXHC-MRXNPFEDSA-N 0 3 292.810 3.242 20 30 CGEDHN C#CCN(Cc1c(C)nc2ccccn21)C1CCCC1 ZINC000162020234 618735389 /nfs/dbraw/zinc/73/53/89/618735389.db2.gz GFYORRJBAFOCQS-UHFFFAOYSA-N 0 3 267.376 3.021 20 30 CGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCF)cc1 ZINC000892501480 618816340 /nfs/dbraw/zinc/81/63/40/618816340.db2.gz OYEVRNZPCJVRCY-RISCZKNCSA-N 0 3 290.338 3.207 20 30 CGEDHN C[C@@H](C#N)OCCNC(c1ccccc1)c1ccccc1 ZINC000314211415 618961741 /nfs/dbraw/zinc/96/17/41/618961741.db2.gz NUPBHHJENCSDEA-HNNXBMFYSA-N 0 3 280.371 3.294 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925697836 619149923 /nfs/dbraw/zinc/14/99/23/619149923.db2.gz PAPUDYCCCWPHFR-QFBILLFUSA-N 0 3 296.414 3.254 20 30 CGEDHN CSC[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000067001872 619272433 /nfs/dbraw/zinc/27/24/33/619272433.db2.gz OKGLUPWYYBXBNY-NXEZZACHSA-N 0 3 274.345 3.003 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(C(=O)OC)s1 ZINC000895225742 619786472 /nfs/dbraw/zinc/78/64/72/619786472.db2.gz RNVMNRKETBOXCG-NWDGAFQWSA-N 0 3 294.420 3.154 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc3c2NCCC3)C1 ZINC000895227482 619786790 /nfs/dbraw/zinc/78/67/90/619786790.db2.gz BJUDBQOHKYYGGK-AWEZNQCLSA-N 0 3 269.392 3.170 20 30 CGEDHN Cc1ccc(C2=NO[C@H](CN[C@@H]3CC[C@@H](C#N)C3)C2)cc1C ZINC000895497050 619838749 /nfs/dbraw/zinc/83/87/49/619838749.db2.gz FIUKBHCARGPURC-OIISXLGYSA-N 0 3 297.402 3.078 20 30 CGEDHN COc1cc(CN2CC[C@@H](c3nccs3)C2)ccc1C#N ZINC000895582327 619856307 /nfs/dbraw/zinc/85/63/07/619856307.db2.gz RDVJPNSSANZKDG-CQSZACIVSA-N 0 3 299.399 3.013 20 30 CGEDHN C#CCN1CCC(Nc2nccc3ccc(C)cc32)CC1 ZINC000895812198 619889730 /nfs/dbraw/zinc/88/97/30/619889730.db2.gz OAQYOJVLHOYDHK-UHFFFAOYSA-N 0 3 279.387 3.053 20 30 CGEDHN CCN(CCC(C)(C)C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000305677286 620203749 /nfs/dbraw/zinc/20/37/49/620203749.db2.gz MEUVOXJJBSVTLJ-MRXNPFEDSA-N 0 3 274.408 3.290 20 30 CGEDHN Cc1ccc(CNCc2ccc(OCC#N)cc2)cc1F ZINC000073052826 625420185 /nfs/dbraw/zinc/42/01/85/625420185.db2.gz IHIIWDGNTHEKGS-UHFFFAOYSA-N 0 3 284.334 3.326 20 30 CGEDHN CC[C@@H](C)C[C@H](CC)NCc1nc(C#N)cs1 ZINC000897629630 620414409 /nfs/dbraw/zinc/41/44/09/620414409.db2.gz WLGWFJPEQWZJJQ-MNOVXSKESA-N 0 3 251.399 3.319 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000989807334 620525588 /nfs/dbraw/zinc/52/55/88/620525588.db2.gz ZUKDNLDUANMRES-UHFFFAOYSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)C(F)=C3CCCC3)CCC[C@@H]12 ZINC000990224735 620539534 /nfs/dbraw/zinc/53/95/34/620539534.db2.gz SYTXTCPJEUBWKH-RHSMWYFYSA-N 0 3 292.398 3.083 20 30 CGEDHN N#CCCCOc1cccc(CNC/C=C/Cl)c1 ZINC000898436031 620588296 /nfs/dbraw/zinc/58/82/96/620588296.db2.gz PRJDOYDGDDYXED-QPJJXVBHSA-N 0 3 264.756 3.211 20 30 CGEDHN Cc1ccccc1O[C@@H](C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902822349 621457421 /nfs/dbraw/zinc/45/74/21/621457421.db2.gz VXYYGRLLTPNTOA-GJZGRUSLSA-N 0 3 295.386 3.380 20 30 CGEDHN C#CCSCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902870101 621474922 /nfs/dbraw/zinc/47/49/22/621474922.db2.gz BSOXKKHIXRWPDB-JTQLQIEISA-N 0 3 288.338 3.117 20 30 CGEDHN C[C@@H](NCC1(c2ccccn2)CCC1)c1cc(C#N)ccn1 ZINC000902989002 621513389 /nfs/dbraw/zinc/51/33/89/621513389.db2.gz XRVGFPDNMVVOSH-CQSZACIVSA-N 0 3 292.386 3.121 20 30 CGEDHN COC[C@H](CC(C)(C)C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903043639 621541747 /nfs/dbraw/zinc/54/17/47/621541747.db2.gz DWNCRSPJIGRJAV-JSGCOSHPSA-N 0 3 275.396 3.055 20 30 CGEDHN CC[C@@H](N[C@H]1CCCn2nccc21)c1cccc(C#N)c1 ZINC000903084831 621564291 /nfs/dbraw/zinc/56/42/91/621564291.db2.gz KMGPENVLTGMAJX-CVEARBPZSA-N 0 3 280.375 3.331 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903094325 621584779 /nfs/dbraw/zinc/58/47/79/621584779.db2.gz MQDIBOKUOXLUKN-PWSUYJOCSA-N 0 3 288.313 3.078 20 30 CGEDHN C=CCC[C@H](NCc1nc2c(s1)CCC2)[C@H]1CCCO1 ZINC000903191182 621628133 /nfs/dbraw/zinc/62/81/33/621628133.db2.gz PGXFFGTYWFNAFX-GXTWGEPZSA-N 0 3 292.448 3.235 20 30 CGEDHN CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1nc(C#N)cs1 ZINC000903263518 621648722 /nfs/dbraw/zinc/64/87/22/621648722.db2.gz NOONCLATBYMDHY-LOWVWBTDSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCC[C@@H](NC[C@@]1(OC(C)C)CCOC1)c1ccco1 ZINC000903358295 621713756 /nfs/dbraw/zinc/71/37/56/621713756.db2.gz SSZFCDYMUUACEL-WBVHZDCISA-N 0 3 293.407 3.461 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)c1ccccc1C ZINC000911947060 622572875 /nfs/dbraw/zinc/57/28/75/622572875.db2.gz JAWGHWGXQYLBKE-CQSZACIVSA-N 0 3 260.381 3.032 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(SC)cc1 ZINC000912135506 622608710 /nfs/dbraw/zinc/60/87/10/622608710.db2.gz OCTNMVCFSKXIMO-ZDUSSCGKSA-N 0 3 264.394 3.031 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(C)c(Br)c1 ZINC000769977192 625583315 /nfs/dbraw/zinc/58/33/15/625583315.db2.gz AAZHYZFRPHQOQN-LLVKDONJSA-N 0 3 266.182 3.211 20 30 CGEDHN C#CCCCCNCc1coc(-c2ccccc2)n1 ZINC000150731132 622658144 /nfs/dbraw/zinc/65/81/44/622658144.db2.gz MPMOFEOJMNWWFV-UHFFFAOYSA-N 0 3 254.333 3.235 20 30 CGEDHN CCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000063559194 623334119 /nfs/dbraw/zinc/33/41/19/623334119.db2.gz QIEQIKYQEFTWAL-UHFFFAOYSA-N 0 3 296.370 3.277 20 30 CGEDHN C#CCCCNCc1csc(-c2ccc(F)cc2)n1 ZINC000174609288 623410940 /nfs/dbraw/zinc/41/09/40/623410940.db2.gz HQFNXVPNUSDLIB-UHFFFAOYSA-N 0 3 274.364 3.452 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000765499291 624024837 /nfs/dbraw/zinc/02/48/37/624024837.db2.gz HFABYRRVSOFHSA-CQSZACIVSA-N 0 3 294.439 3.120 20 30 CGEDHN CC(C)[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000073089490 624068742 /nfs/dbraw/zinc/06/87/42/624068742.db2.gz FXDAJACMWKBCGD-QWRGUYRKSA-N 0 3 256.305 3.296 20 30 CGEDHN C/C(C=NNCCN1CCCCC1)=C\c1ccccc1 ZINC000915973169 624086584 /nfs/dbraw/zinc/08/65/84/624086584.db2.gz BPZIVHGKRRPIBD-CSJGLSHJSA-N 0 3 271.408 3.151 20 30 CGEDHN C=CC[C@@H](C)N[C@@H]1COCc2cccc(Cl)c21 ZINC000925430279 624202880 /nfs/dbraw/zinc/20/28/80/624202880.db2.gz LINHPXDCDLAHKF-ZWNOBZJWSA-N 0 3 251.757 3.466 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(O)c2)cc1 ZINC000154411895 624275375 /nfs/dbraw/zinc/27/53/75/624275375.db2.gz QRWCIEHLRKZJKT-CQSZACIVSA-N 0 3 281.355 3.255 20 30 CGEDHN C#CCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000179663374 624675851 /nfs/dbraw/zinc/67/58/51/624675851.db2.gz APITWDRZAVLLOT-QGZVFWFLSA-N 0 3 250.345 3.174 20 30 CGEDHN C#CCCCNCc1ncc(-c2ccccc2)s1 ZINC000180145771 624720042 /nfs/dbraw/zinc/72/00/42/624720042.db2.gz DGEXZMJIKDSZLI-UHFFFAOYSA-N 0 3 256.374 3.313 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(C)CCCCC2)C1 ZINC000999338450 625828790 /nfs/dbraw/zinc/82/87/90/625828790.db2.gz CGBYENGJOGZFPZ-UHFFFAOYSA-N 0 3 298.858 3.288 20 30 CGEDHN N#Cc1cc(CN[C@H]2CCCc3[nH]ccc32)cs1 ZINC000921817549 625888580 /nfs/dbraw/zinc/88/85/80/625888580.db2.gz YGKMWQWXZKDVRO-AWEZNQCLSA-N 0 3 257.362 3.115 20 30 CGEDHN N#Cc1ccc(Br)c(CN[C@]23C[C@H]2CCC3)c1 ZINC000923024086 626120191 /nfs/dbraw/zinc/12/01/91/626120191.db2.gz OASWMLUKXIISIU-TZMCWYRMSA-N 0 3 291.192 3.353 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=C2CC[C@H](C)C2)nc(C)n1 ZINC000753800638 626466306 /nfs/dbraw/zinc/46/63/06/626466306.db2.gz XOUMZANTLWPMRZ-CNPFRCOSSA-N 0 3 269.348 3.016 20 30 CGEDHN N#CC(C(=O)C1CCC(=O)CC1)c1ccc2ccccc2n1 ZINC000753951947 626469879 /nfs/dbraw/zinc/46/98/79/626469879.db2.gz ZTNLIWYSAKIUJX-OAHLLOKOSA-N 0 3 292.338 3.170 20 30 CGEDHN C[C@@H]1CC(N=Nc2cccc(Cl)c2)CN1C1CC1 ZINC000753954712 626470180 /nfs/dbraw/zinc/47/01/80/626470180.db2.gz GBZRJGUQVOHTLR-SNVBAGLBSA-N 0 3 263.772 3.365 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCc1ccc(OC)c(O)c1 ZINC000756099492 626677016 /nfs/dbraw/zinc/67/70/16/626677016.db2.gz UXRVBTGYQMLHLV-LLVKDONJSA-N 0 3 269.772 3.064 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000756119501 626678430 /nfs/dbraw/zinc/67/84/30/626678430.db2.gz IHLBKYIECWXMIN-MRXNPFEDSA-N 0 3 295.361 3.066 20 30 CGEDHN C#CC[C@H](NCc1n[nH]c2ccccc12)c1ccccc1 ZINC000756995994 626745665 /nfs/dbraw/zinc/74/56/65/626745665.db2.gz BXRUMRPODUEYMT-INIZCTEOSA-N 0 3 275.355 3.417 20 30 CGEDHN C#CC[C@H](NCc1[nH]nc2ccccc21)c1ccccc1 ZINC000756995994 626745667 /nfs/dbraw/zinc/74/56/67/626745667.db2.gz BXRUMRPODUEYMT-INIZCTEOSA-N 0 3 275.355 3.417 20 30 CGEDHN CCCCCCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000760912172 627001636 /nfs/dbraw/zinc/00/16/36/627001636.db2.gz VSENYWPWVHNYTG-UHFFFAOYSA-N 0 3 286.423 3.046 20 30 CGEDHN COc1cc(Cl)cc(CN2CCC(CC#N)CC2)c1O ZINC000761213296 627025411 /nfs/dbraw/zinc/02/54/11/627025411.db2.gz AEBNXPFJPNMZNE-UHFFFAOYSA-N 0 3 294.782 3.180 20 30 CGEDHN COc1cc(Cl)cc(C[NH+]2CCC(CC#N)CC2)c1[O-] ZINC000761213296 627025413 /nfs/dbraw/zinc/02/54/13/627025413.db2.gz AEBNXPFJPNMZNE-UHFFFAOYSA-N 0 3 294.782 3.180 20 30 CGEDHN Cc1c(Cl)cccc1N=NC1C[C@H](C)N(C)C1 ZINC000761806056 627061290 /nfs/dbraw/zinc/06/12/90/627061290.db2.gz QJLJZGXYIYLBMY-VIFPVBQESA-N 0 3 251.761 3.140 20 30 CGEDHN C#CCN(Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000764675853 627217850 /nfs/dbraw/zinc/21/78/50/627217850.db2.gz BUFZZWHUTNOSHT-UHFFFAOYSA-N 0 3 268.404 3.275 20 30 CGEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2nsnc21 ZINC000766009347 627287070 /nfs/dbraw/zinc/28/70/70/627287070.db2.gz HDMGXVCYSNKMIV-UHFFFAOYSA-N 0 3 294.383 3.195 20 30 CGEDHN Cc1cc(CNCc2ccc([C@@H](C)O)cc2)ccc1C#N ZINC000767680772 627428023 /nfs/dbraw/zinc/42/80/23/627428023.db2.gz JKDCTDRKSUKMJM-CQSZACIVSA-N 0 3 280.371 3.210 20 30 CGEDHN CN(Cc1ccc2c(c1)COC2)Cc1cccc(C#N)c1 ZINC000768263463 627471491 /nfs/dbraw/zinc/47/14/91/627471491.db2.gz PXLBMDMZTZNBGL-UHFFFAOYSA-N 0 3 278.355 3.220 20 30 CGEDHN CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000768262951 627471739 /nfs/dbraw/zinc/47/17/39/627471739.db2.gz MSCIJDIXEGJMQT-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000768262951 627471743 /nfs/dbraw/zinc/47/17/43/627471743.db2.gz MSCIJDIXEGJMQT-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN C=CCN(Cc1ccc(N2CCCC2)nc1)C(C)C ZINC000768546755 627485783 /nfs/dbraw/zinc/48/57/83/627485783.db2.gz DXZCLFWXAACEHD-UHFFFAOYSA-N 0 3 259.397 3.078 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1N(C)C ZINC000769684421 627572738 /nfs/dbraw/zinc/57/27/38/627572738.db2.gz MAKCPCPADNIIOW-CQSZACIVSA-N 0 3 279.387 3.475 20 30 CGEDHN C=CC[C@@H](N[C@H](C)c1cccnc1)c1ccncc1 ZINC000771390721 627706186 /nfs/dbraw/zinc/70/61/86/627706186.db2.gz QAEWVHOMAHODGX-CZUORRHYSA-N 0 3 253.349 3.445 20 30 CGEDHN C=CCN(CCOc1ccc2c(C)cc(=O)oc2c1)C1CC1 ZINC000772382491 627788859 /nfs/dbraw/zinc/78/88/59/627788859.db2.gz RXZYBQSLYYBDCT-UHFFFAOYSA-N 0 3 299.370 3.131 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000775261343 628075815 /nfs/dbraw/zinc/07/58/15/628075815.db2.gz JKURPHXXBFLVMS-UONOGXRCSA-N 0 3 286.375 3.096 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000775554886 628106340 /nfs/dbraw/zinc/10/63/40/628106340.db2.gz ZCOJZTGPYAXQRV-GWCFXTLKSA-N 0 3 289.297 3.173 20 30 CGEDHN C#C[C@@H](NC1CC(c2ccc(Cl)cc2)C1)[C@@H]1CCCO1 ZINC000775571121 628108076 /nfs/dbraw/zinc/10/80/76/628108076.db2.gz ANKYWCOBAXBXSB-BNICSPFPSA-N 0 3 289.806 3.356 20 30 CGEDHN C#C[C@H](N[C@H]1CC(C)(C)c2ccccc21)[C@H]1CCCO1 ZINC000775571234 628108195 /nfs/dbraw/zinc/10/81/95/628108195.db2.gz DCKLKIUZOYYTGO-YESZJQIVSA-N 0 3 269.388 3.179 20 30 CGEDHN C#C[C@H](N[C@H](C)c1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000775573796 628110113 /nfs/dbraw/zinc/11/01/13/628110113.db2.gz KHMUXNGZOAHYGU-PVAVHDDUSA-N 0 3 257.377 3.135 20 30 CGEDHN C#CCN1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000775731994 628130219 /nfs/dbraw/zinc/13/02/19/628130219.db2.gz QUKXJEJHMMIYMV-UHFFFAOYSA-N 0 3 297.320 3.429 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCCCCOC ZINC000778162891 628330625 /nfs/dbraw/zinc/33/06/25/628330625.db2.gz XUGHOCNTGUJKAT-UHFFFAOYSA-N 0 3 295.810 3.258 20 30 CGEDHN COc1ccc(N=NC2CN(C3CC3)C[C@H]2C)cc1Cl ZINC000782230518 628627320 /nfs/dbraw/zinc/62/73/20/628627320.db2.gz OMOBNXQPNCFIEM-SNVBAGLBSA-N 0 3 293.798 3.231 20 30 CGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CCC1=O ZINC000783363324 628705269 /nfs/dbraw/zinc/70/52/69/628705269.db2.gz LMNWYGXUKZTRGF-UTUOFQBUSA-N 0 3 296.326 3.009 20 30 CGEDHN CC(C)[C@H](F)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000784485966 628816020 /nfs/dbraw/zinc/81/60/20/628816020.db2.gz JPZDEXDDUVYXRA-DOMZBBRYSA-N 0 3 270.307 3.405 20 30 CGEDHN C#CCSCCNCc1cccc(Cl)c1OCC ZINC000785475280 628865267 /nfs/dbraw/zinc/86/52/67/628865267.db2.gz ONHWNXHBODTRLT-UHFFFAOYSA-N 0 3 283.824 3.195 20 30 CGEDHN C=CCC[C@@H](NCCOc1cccnc1)c1ccco1 ZINC000787767175 629028211 /nfs/dbraw/zinc/02/82/11/629028211.db2.gz YYLMXFUONTUTDW-OAHLLOKOSA-N 0 3 272.348 3.351 20 30 CGEDHN C#Cc1ccc(CN[C@@H]2CCc3c2cccc3OC)cc1 ZINC000787778973 629030133 /nfs/dbraw/zinc/03/01/33/629030133.db2.gz YIRZVSWNOOEUGQ-GOSISDBHSA-N 0 3 277.367 3.454 20 30 CGEDHN C#CCN[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000787995187 629038636 /nfs/dbraw/zinc/03/86/36/629038636.db2.gz OEOCPBSFBVXFSL-HZPDHXFCSA-N 0 3 294.801 3.226 20 30 CGEDHN C=C[C@@H](CC)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805908988 629178477 /nfs/dbraw/zinc/17/84/77/629178477.db2.gz KLAFWURVDPZKRW-KRWDZBQOSA-N 0 3 287.403 3.406 20 30 CGEDHN C=C[C@@H]1CCCCN1[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790357392 629207456 /nfs/dbraw/zinc/20/74/56/629207456.db2.gz PBDGGXLAMXCIAB-MSOLQXFVSA-N 0 3 298.430 3.218 20 30 CGEDHN C#CCN(C)[C@H]1CCCc2ccc(Br)cc21 ZINC000792302141 629355120 /nfs/dbraw/zinc/35/51/20/629355120.db2.gz NQKLGIKTQQCLPW-AWEZNQCLSA-N 0 3 278.193 3.392 20 30 CGEDHN C#CCN(C)CCCSc1ccccc1Cl ZINC000792301786 629355387 /nfs/dbraw/zinc/35/53/87/629355387.db2.gz LTAHQRDWJOOFFK-UHFFFAOYSA-N 0 3 253.798 3.387 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000862448043 629381075 /nfs/dbraw/zinc/38/10/75/629381075.db2.gz VTDMVFDTMMVGCD-GFCCVEGCSA-N 0 3 292.304 3.422 20 30 CGEDHN CC[C@H](C#N)Oc1cccc(CNCc2cnccc2C)c1 ZINC000792988183 629400297 /nfs/dbraw/zinc/40/02/97/629400297.db2.gz TXCZPWLLMMBVSV-QGZVFWFLSA-N 0 3 295.386 3.361 20 30 CGEDHN C#C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCCO1 ZINC000795816844 629718733 /nfs/dbraw/zinc/71/87/33/629718733.db2.gz IPWRERTZCHNYSR-FHWLQOOXSA-N 0 3 294.398 3.096 20 30 CGEDHN C#CCN(CCC(=O)c1ccc(OC)cc1)C1CCCC1 ZINC000795935210 629728201 /nfs/dbraw/zinc/72/82/01/629728201.db2.gz ZWLOMGLRWBJZND-UHFFFAOYSA-N 0 3 285.387 3.146 20 30 CGEDHN CC[C@@](C)(OC)C(=O)C(C#N)c1nccc2ccccc21 ZINC000796900884 629856227 /nfs/dbraw/zinc/85/62/27/629856227.db2.gz SAZYIBSMFLNAFC-WMLDXEAASA-N 0 3 282.343 3.226 20 30 CGEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000797549058 629957609 /nfs/dbraw/zinc/95/76/09/629957609.db2.gz UJGIVUCHGYVBHF-AWEZNQCLSA-N 0 3 296.326 3.112 20 30 CGEDHN N#Cc1ccc(N2CCN(CCC3CCCCC3)CC2)cn1 ZINC000801552322 630342885 /nfs/dbraw/zinc/34/28/85/630342885.db2.gz HXLJJCQTAFLOFB-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN CCOc1ccccc1[C@H](CC)NCCO[C@@H](C)C#N ZINC000801937556 630370907 /nfs/dbraw/zinc/37/09/07/630370907.db2.gz PPQHVKLNDSGXDC-ZFWWWQNUSA-N 0 3 276.380 3.055 20 30 CGEDHN CC[C@H]1CCCCN1CCNc1nc(Cl)c(C#N)s1 ZINC000804455565 630528804 /nfs/dbraw/zinc/52/88/04/630528804.db2.gz XOAPMMWBZSIHOV-JTQLQIEISA-N 0 3 298.843 3.345 20 30 CGEDHN C#Cc1ccc(CN[C@H](CC=C)c2ccncc2)cc1 ZINC000809621203 630764775 /nfs/dbraw/zinc/76/47/75/630764775.db2.gz XFDYYYMTRSWHKD-GOSISDBHSA-N 0 3 262.356 3.470 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000809684012 630779876 /nfs/dbraw/zinc/77/98/76/630779876.db2.gz WJIVQXBCTVITEX-MRVPVSSYSA-N 0 3 261.674 3.470 20 30 CGEDHN C#C[C@@H](CC)NCc1ccccc1N1CCCCC1 ZINC000809685956 630782195 /nfs/dbraw/zinc/78/21/95/630782195.db2.gz CHDUSHUFZINOKZ-INIZCTEOSA-N 0 3 256.393 3.178 20 30 CGEDHN C#Cc1ccc(CN(CC)Cc2ccncc2)cc1 ZINC000809726453 630794040 /nfs/dbraw/zinc/79/40/40/630794040.db2.gz KQDLFZLGQCAYHC-UHFFFAOYSA-N 0 3 250.345 3.085 20 30 CGEDHN C#CCCOc1ccc(CN(C)Cc2ccc(O)cc2)cc1 ZINC000809753361 630800757 /nfs/dbraw/zinc/80/07/57/630800757.db2.gz GABCMGJPVJQMLN-UHFFFAOYSA-N 0 3 295.382 3.426 20 30 CGEDHN CCC1(C)CCC(NCc2nc(C#N)cs2)CC1 ZINC000810148696 630846949 /nfs/dbraw/zinc/84/69/49/630846949.db2.gz XGGKXPJAIRIZMF-UHFFFAOYSA-N 0 3 263.410 3.463 20 30 CGEDHN CCC(=NOCCOC(C)C)c1ccc(N(C)C)cc1 ZINC000812238603 631228025 /nfs/dbraw/zinc/22/80/25/631228025.db2.gz ANMSSVRYTCQWPL-UHFFFAOYSA-N 0 3 278.396 3.308 20 30 CGEDHN C#C[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(F)cc1 ZINC000816617180 632024263 /nfs/dbraw/zinc/02/42/63/632024263.db2.gz QEOGWMKHYCAEDH-UGSOOPFHSA-N 0 3 283.346 3.426 20 30 CGEDHN C=CCCCCCN1CCO[C@@H](C(F)(F)F)CC1 ZINC000880053918 635905957 /nfs/dbraw/zinc/90/59/57/635905957.db2.gz SXSYMJWCNXAKIW-GFCCVEGCSA-N 0 3 265.319 3.386 20 30 CGEDHN COc1ccccc1[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000866595796 633206043 /nfs/dbraw/zinc/20/60/43/633206043.db2.gz NHEPNKSHXNHUPJ-RDBSUJKOSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CCCCN(C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121201093 633239796 /nfs/dbraw/zinc/23/97/96/633239796.db2.gz CVPRHBANILWEIY-UHFFFAOYSA-N 0 3 288.351 3.108 20 30 CGEDHN COC(=O)C1(C#N)CCN(CCC2CCCCCC2)CC1 ZINC000824871430 633301834 /nfs/dbraw/zinc/30/18/34/633301834.db2.gz GKNXDZBHCYHGSZ-UHFFFAOYSA-N 0 3 292.423 3.126 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2sccc2[C@@H]1CC ZINC000876602066 634865778 /nfs/dbraw/zinc/86/57/78/634865778.db2.gz GSTVMYASZIFYSW-NEPJUHHUSA-N 0 3 298.839 3.054 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(N(C)C(C)C)nc2)c1 ZINC000825226863 633337224 /nfs/dbraw/zinc/33/72/24/633337224.db2.gz NPQJBGUOVBVNMX-UHFFFAOYSA-N 0 3 293.414 3.197 20 30 CGEDHN C#C[C@H](C)NCc1ccc(-c2scnc2C)cc1 ZINC000825878959 633385681 /nfs/dbraw/zinc/38/56/81/633385681.db2.gz XOXAVFFDLOXCSO-NSHDSACASA-N 0 3 256.374 3.230 20 30 CGEDHN C#C[C@@H](NC1CCC(OCC)CC1)c1ccc(F)cc1 ZINC000825955223 633391486 /nfs/dbraw/zinc/39/14/86/633391486.db2.gz IULOSHKXKYFABF-OFLPRAFFSA-N 0 3 275.367 3.437 20 30 CGEDHN C=CCCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000827840049 633524504 /nfs/dbraw/zinc/52/45/04/633524504.db2.gz FLDCIVOFOYUOGZ-UHFFFAOYSA-N 0 3 293.842 3.209 20 30 CGEDHN CN(C)c1ccc(/C=C/C=NNC[C@@H]2CCSC2)cc1 ZINC000834979031 634302054 /nfs/dbraw/zinc/30/20/54/634302054.db2.gz FEBFIJOBOJDUNC-YHTWWVPJSA-N 0 3 289.448 3.094 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccc(C)cc1C ZINC000876589862 634863298 /nfs/dbraw/zinc/86/32/98/634863298.db2.gz PKUFMLBCYUXHTA-HIFRSBDPSA-N 0 3 294.826 3.293 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1cccc(C(C)C)c1 ZINC000876622196 634870378 /nfs/dbraw/zinc/87/03/78/634870378.db2.gz RNDNFIRYFNKFFI-CQSZACIVSA-N 0 3 280.799 3.243 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000876647033 634874667 /nfs/dbraw/zinc/87/46/67/634874667.db2.gz DKNVDJSDDTXZPF-LSDHHAIUSA-N 0 3 292.810 3.114 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@H](C)CC(C)(C)C ZINC000876907963 634926008 /nfs/dbraw/zinc/92/60/08/634926008.db2.gz FUJNYWWUIPPRRM-CMPLNLGQSA-N 0 3 274.836 3.035 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC2(CCCC2)CC1 ZINC000876961328 634938420 /nfs/dbraw/zinc/93/84/20/634938420.db2.gz FGZWKUXEXHMGSF-ZDUSSCGKSA-N 0 3 284.831 3.029 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1cc(C)ccc1C ZINC000877064598 634968931 /nfs/dbraw/zinc/96/89/31/634968931.db2.gz BLYFVMTYJNPHRH-HUUCEWRRSA-N 0 3 294.826 3.341 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCC2(C3CC3)CCC2)c1 ZINC000877112166 634987114 /nfs/dbraw/zinc/98/71/14/634987114.db2.gz RDZUUKCVBRNJNC-UHFFFAOYSA-N 0 3 275.783 3.277 20 30 CGEDHN CC1(C)CC(CNCc2cc(C#N)cnc2Cl)C1 ZINC000877459165 635045436 /nfs/dbraw/zinc/04/54/36/635045436.db2.gz CXXWBYLASCFQGR-UHFFFAOYSA-N 0 3 263.772 3.132 20 30 CGEDHN Cc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000877483415 635054825 /nfs/dbraw/zinc/05/48/25/635054825.db2.gz VCKMWHQWKIBQGQ-QGZVFWFLSA-N 0 3 278.355 3.349 20 30 CGEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCCC23CC3)c1 ZINC000877664674 635137287 /nfs/dbraw/zinc/13/72/87/635137287.db2.gz VPOHBCLPOHZCND-LBPRGKRZSA-N 0 3 261.756 3.029 20 30 CGEDHN C[C@H](C#N)CNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841633514 635202821 /nfs/dbraw/zinc/20/28/21/635202821.db2.gz OSWBHCMXGRVRJM-KDOFPFPSSA-N 0 3 296.418 3.091 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCC[C@H]2C=CCC2)c1 ZINC000877807224 635210816 /nfs/dbraw/zinc/21/08/16/635210816.db2.gz WCIWVDLSUVOUNF-LBPRGKRZSA-N 0 3 275.783 3.443 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN(C(C)C)C1CC1)c1ccccc1 ZINC000877965067 635291651 /nfs/dbraw/zinc/29/16/51/635291651.db2.gz RPXKECBOZABDQO-SFHVURJKSA-N 0 3 284.403 3.300 20 30 CGEDHN CC[C@H](C#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842317484 635324836 /nfs/dbraw/zinc/32/48/36/635324836.db2.gz CNWUJDLXMCZYHP-MRXNPFEDSA-N 0 3 286.375 3.131 20 30 CGEDHN C#CC1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000843428319 635672460 /nfs/dbraw/zinc/67/24/60/635672460.db2.gz GNCPZQVGPUBBPW-UHFFFAOYSA-N 0 3 279.387 3.026 20 30 CGEDHN CC(C)(NCc1cc(C#N)ccc1F)[C@H]1CCCCO1 ZINC000879408387 635779841 /nfs/dbraw/zinc/77/98/41/635779841.db2.gz JOKSZSYQEHDLLC-OAHLLOKOSA-N 0 3 276.355 3.135 20 30 CGEDHN C[C@@H](C#N)OCCN1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000844394882 635889389 /nfs/dbraw/zinc/88/93/89/635889389.db2.gz AAJNYPBGFCSHIH-STQMWFEESA-N 0 3 292.810 3.230 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@H]3SCCS[C@H]23)CCCC1 ZINC000846011690 636128966 /nfs/dbraw/zinc/12/89/66/636128966.db2.gz XPUJJBQUNCDHIM-JHJVBQTASA-N 0 3 282.478 3.040 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000846756244 636230812 /nfs/dbraw/zinc/23/08/12/636230812.db2.gz IQMRQEZNYHEVGD-PKMXSDERSA-N 0 3 292.810 3.481 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846756244 636230816 /nfs/dbraw/zinc/23/08/16/636230816.db2.gz IQMRQEZNYHEVGD-PKMXSDERSA-N 0 3 292.810 3.481 20 30 CGEDHN C#CCSCCN[C@@H](C)c1ccccc1Br ZINC000129998260 636404835 /nfs/dbraw/zinc/40/48/35/636404835.db2.gz RBSSVGRQPKIDME-NSHDSACASA-N 0 3 298.249 3.466 20 30 CGEDHN O=[N+]([O-])c1ccc(N=NC2CCCN3CCCC[C@H]23)cc1 ZINC000848398115 636566819 /nfs/dbraw/zinc/56/68/19/636566819.db2.gz CYJOSYJHEQSWSG-OAHLLOKOSA-N 0 3 288.351 3.011 20 30 CGEDHN C=CCC[C@H](NCc1oc(CC)nc1C)[C@H]1CCCO1 ZINC000883223941 636596428 /nfs/dbraw/zinc/59/64/28/636596428.db2.gz AWZRBSISXFZTKJ-UONOGXRCSA-N 0 3 278.396 3.149 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000883235345 636604143 /nfs/dbraw/zinc/60/41/43/636604143.db2.gz ZXKSHZKXRHBVDD-OIISXLGYSA-N 0 3 296.418 3.451 20 30 CGEDHN C=CCCCCCNCc1c(C)nn(C)c1Cl ZINC000848562304 636607261 /nfs/dbraw/zinc/60/72/61/636607261.db2.gz HMKRTMCOSJFQSM-UHFFFAOYSA-N 0 3 255.793 3.218 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc3cc(OC)ccc3o2)C1 ZINC000848923353 636693653 /nfs/dbraw/zinc/69/36/53/636693653.db2.gz CDCQLQRLJKPPTB-CYBMUJFWSA-N 0 3 269.344 3.287 20 30 CGEDHN C#CC1(NCc2cnc(-c3ccco3)s2)CCCC1 ZINC000883362528 636704148 /nfs/dbraw/zinc/70/41/48/636704148.db2.gz GECYYYPREUILID-UHFFFAOYSA-N 0 3 272.373 3.439 20 30 CGEDHN C[C@H](NCCc1ccc(C#N)cc1)c1cccnc1Cl ZINC000850487879 637087786 /nfs/dbraw/zinc/08/77/86/637087786.db2.gz JUWBFXJIVGQFIO-LBPRGKRZSA-N 0 3 285.778 3.500 20 30 CGEDHN C=C(Cl)COc1ccc([C@H](C)NC/C=C\CO)cc1 ZINC000850510706 637096268 /nfs/dbraw/zinc/09/62/68/637096268.db2.gz ZMJOVSDRFJIQSW-SCOBNMCVSA-N 0 3 281.783 3.017 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H](O)c3ccccc31)CC2 ZINC000850526905 637105648 /nfs/dbraw/zinc/10/56/48/637105648.db2.gz SQWINUVICNEEQA-QYZOEREBSA-N 0 3 290.366 3.314 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)[C@H]1CCCO1 ZINC000850783093 637152077 /nfs/dbraw/zinc/15/20/77/637152077.db2.gz WABWWLQECVEJNX-TYNCELHUSA-N 0 3 298.342 3.209 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc(CN(C)C)c1 ZINC000851204166 637301602 /nfs/dbraw/zinc/30/16/02/637301602.db2.gz LBHVQQUDKDSRIY-ZDUSSCGKSA-N 0 3 288.391 3.233 20 30 CGEDHN Cc1nn(-c2ccccc2C)c(C)c1CNCCCC#N ZINC000886059527 637394004 /nfs/dbraw/zinc/39/40/04/637394004.db2.gz GZONXZACLWPERZ-UHFFFAOYSA-N 0 3 282.391 3.191 20 30 CGEDHN CSc1ccc(CNCc2ccncc2C)cc1C#N ZINC000886277485 637479964 /nfs/dbraw/zinc/47/99/64/637479964.db2.gz RXKMVZUABSNMQL-UHFFFAOYSA-N 0 3 283.400 3.273 20 30 CGEDHN C=CCN(Cc1ccccc1F)[C@H]1CC[C@@H](OC)C1 ZINC000851734554 637483613 /nfs/dbraw/zinc/48/36/13/637483613.db2.gz UORUTVBDPMVMLF-LSDHHAIUSA-N 0 3 263.356 3.381 20 30 CGEDHN C#CCOCCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000851792197 637505441 /nfs/dbraw/zinc/50/54/41/637505441.db2.gz JMQBHGFNMDOQDS-UKRRQHHQSA-N 0 3 261.365 3.011 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000886356058 637511316 /nfs/dbraw/zinc/51/13/16/637511316.db2.gz SNPKELSXLFZDRG-GFCCVEGCSA-N 0 3 256.374 3.142 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000886356213 637511359 /nfs/dbraw/zinc/51/13/59/637511359.db2.gz WDASWXZMZMFQBV-ZDUSSCGKSA-N 0 3 284.334 3.326 20 30 CGEDHN C#CC[C@@H]1CCN([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000886357824 637512903 /nfs/dbraw/zinc/51/29/03/637512903.db2.gz MHPLQTHCBDGRLD-LSDHHAIUSA-N 0 3 295.386 3.451 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ncccn2)C1 ZINC000886686788 637652615 /nfs/dbraw/zinc/65/26/15/637652615.db2.gz XPNVOTQNEOKBOT-WMLDXEAASA-N 0 3 292.386 3.289 20 30 CGEDHN Cc1csc(C[C@H]2CCCN(CCCC#N)C2)n1 ZINC000886691974 637657231 /nfs/dbraw/zinc/65/72/31/637657231.db2.gz PZODJYGAKDVADI-CYBMUJFWSA-N 0 3 263.410 3.010 20 30 CGEDHN CCCCCCCN1CCc2c(cccc2C(N)=O)C1 ZINC000852755582 637706117 /nfs/dbraw/zinc/70/61/17/637706117.db2.gz UNONAAINUCSHBO-UHFFFAOYSA-N 0 3 274.408 3.114 20 30 CGEDHN C=CC[C@@H]1CCCN(Cn2nccc2-c2cccnc2)C1 ZINC000853537123 637863615 /nfs/dbraw/zinc/86/36/15/637863615.db2.gz PMNWCFNKCCJOTA-OAHLLOKOSA-N 0 3 282.391 3.191 20 30 CGEDHN CSC1CC(N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000926148175 638722607 /nfs/dbraw/zinc/72/26/07/638722607.db2.gz OPDJRXWKCCGSTK-OIKLOGQESA-N 0 3 264.369 3.242 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCOC23CCCCC3)c1F ZINC000926326239 638763519 /nfs/dbraw/zinc/76/35/19/638763519.db2.gz NZWBDXSAVZJKHK-OAHLLOKOSA-N 0 3 288.366 3.279 20 30 CGEDHN C=CCC1(CN[C@H]2C[C@@H](C)n3ncnc32)CCCC1 ZINC000926538606 638782686 /nfs/dbraw/zinc/78/26/86/638782686.db2.gz AIGMHAMOLPPCCD-OLZOCXBDSA-N 0 3 260.385 3.010 20 30 CGEDHN C=CCC[C@H](NCc1c(C)noc1CC)[C@H]1CCCO1 ZINC000927133823 638846290 /nfs/dbraw/zinc/84/62/90/638846290.db2.gz YXGUDKQQJWQFBH-GOEBONIOSA-N 0 3 278.396 3.149 20 30 CGEDHN CC[C@@H]1CO[C@@H](C)CN1CCCCC1(C#N)CCC1 ZINC000929270312 638913591 /nfs/dbraw/zinc/91/35/91/638913591.db2.gz NLMXDVWUFBLDMD-LSDHHAIUSA-N 0 3 264.413 3.350 20 30 CGEDHN CC(C)(C)C[C@@H](NC[C@H](O)CC#N)c1ccccc1 ZINC000930204169 638982992 /nfs/dbraw/zinc/98/29/92/638982992.db2.gz IJPRWDGXVTYROA-HUUCEWRRSA-N 0 3 260.381 3.028 20 30 CGEDHN N#CC[C@@H](O)CN[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000931471543 639156958 /nfs/dbraw/zinc/15/69/58/639156958.db2.gz NOJDOZMERJLPOR-IAGOWNOFSA-N 0 3 290.382 3.311 20 30 CGEDHN N#Cc1cncc(CN2CC[C@]3(CCc4ccccc43)C2)c1 ZINC000931611789 639179644 /nfs/dbraw/zinc/17/96/44/639179644.db2.gz RHSDJFAEPRDIOZ-LJQANCHMSA-N 0 3 289.382 3.043 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000931746631 639199045 /nfs/dbraw/zinc/19/90/45/639199045.db2.gz QFKDTJYJBLXHON-BETUJISGSA-N 0 3 278.808 3.006 20 30 CGEDHN C[C@@H](NCCCOc1ccc(C#N)cc1)c1ccns1 ZINC000860053265 639273526 /nfs/dbraw/zinc/27/35/26/639273526.db2.gz UHZHDSHTWNBJIX-GFCCVEGCSA-N 0 3 287.388 3.134 20 30 CGEDHN CC(C)(C#N)CCCCN1CCOC[C@@H]1CC1CC1 ZINC000933207041 639428362 /nfs/dbraw/zinc/42/83/62/639428362.db2.gz BFUJJQGDVDPSNY-HNNXBMFYSA-N 0 3 264.413 3.207 20 30 CGEDHN CN(CCCC1CCOCC1)Cc1cc(C#N)cs1 ZINC000933771326 639488767 /nfs/dbraw/zinc/48/87/67/639488767.db2.gz FBGBWXZDOKRVED-UHFFFAOYSA-N 0 3 278.421 3.258 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000934648404 639650618 /nfs/dbraw/zinc/65/06/18/639650618.db2.gz OAUKINYEHRNESQ-LBPRGKRZSA-N 0 3 295.814 3.350 20 30 CGEDHN N#Cc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000934685752 639657004 /nfs/dbraw/zinc/65/70/04/639657004.db2.gz GXBSCFXEZXBNCP-KRWDZBQOSA-N 0 3 263.344 3.194 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001006461716 640336556 /nfs/dbraw/zinc/33/65/56/640336556.db2.gz HKKSVEGLEDIEJP-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCN(C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000192222875 640359752 /nfs/dbraw/zinc/35/97/52/640359752.db2.gz OBGGWUWQJMVLIY-JTQLQIEISA-N 0 3 257.255 3.211 20 30 CGEDHN CCCCCCCN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246092417 640657108 /nfs/dbraw/zinc/65/71/08/640657108.db2.gz HEYQKUFGIIFEDZ-LSDHHAIUSA-N 0 3 289.485 3.244 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091956711 640727977 /nfs/dbraw/zinc/72/79/77/640727977.db2.gz BZVYBTDJZCWGLL-AWEZNQCLSA-N 0 3 296.370 3.315 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091956711 640727983 /nfs/dbraw/zinc/72/79/83/640727983.db2.gz BZVYBTDJZCWGLL-AWEZNQCLSA-N 0 3 296.370 3.315 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008750145 640952957 /nfs/dbraw/zinc/95/29/57/640952957.db2.gz UQKXHWMJRVHCFT-GFCCVEGCSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001009308039 640957214 /nfs/dbraw/zinc/95/72/14/640957214.db2.gz JSKVGBNAIWJIBK-ZDUSSCGKSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015925719 640988723 /nfs/dbraw/zinc/98/87/23/640988723.db2.gz CACPFHVLAWUGOP-AWEZNQCLSA-N 0 3 290.407 3.092 20 30 CGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016212218 640994752 /nfs/dbraw/zinc/99/47/52/640994752.db2.gz UAQFWLWKFASOBA-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016425216 640999712 /nfs/dbraw/zinc/99/97/12/640999712.db2.gz SJCMZFPFQWXKRF-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCCCC1 ZINC001017414054 641012418 /nfs/dbraw/zinc/01/24/18/641012418.db2.gz BWXANXOJSATMHT-CALCHBBNSA-N 0 3 288.435 3.128 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115904108 641027637 /nfs/dbraw/zinc/02/76/37/641027637.db2.gz MCOBNYGATRMKJD-HNNXBMFYSA-N 0 3 284.359 3.087 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCc2ccccc21)c1ccccn1 ZINC000115903172 641028112 /nfs/dbraw/zinc/02/81/12/641028112.db2.gz WVZXETQPKAUZCT-ZBFHGGJFSA-N 0 3 276.339 3.378 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCCCC1(C)C ZINC001157190576 805788227 /nfs/dbraw/zinc/78/82/27/805788227.db2.gz QMBBFXUEVPSWPZ-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CN(C)CC=C ZINC001157994802 805911544 /nfs/dbraw/zinc/91/15/44/805911544.db2.gz VGRNERWEGICCNF-QGZVFWFLSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H]1C=CCCC1 ZINC001158113825 805922592 /nfs/dbraw/zinc/92/25/92/805922592.db2.gz XCDUSFGOLSCOJO-DLBZAZTESA-N 0 3 290.451 3.232 20 30 CGEDHN N#Cc1ccc([O-])c(Nc2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001159629465 806136080 /nfs/dbraw/zinc/13/60/80/806136080.db2.gz DBJORBUFLJAXFL-UHFFFAOYSA-N 0 3 293.370 3.474 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CN1CC2(CC(O)C2)C1 ZINC001252978413 806144028 /nfs/dbraw/zinc/14/40/28/806144028.db2.gz BDWZBGJRSCDSPT-MRXNPFEDSA-N 0 3 297.483 3.335 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ncccc1C ZINC001253228211 806184571 /nfs/dbraw/zinc/18/45/71/806184571.db2.gz RFUQKLBRZJSOHN-MRXNPFEDSA-N 0 3 276.424 3.367 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1C[C@@H](F)C[C@H]1C ZINC001253234163 806188980 /nfs/dbraw/zinc/18/89/80/806188980.db2.gz VRPDAAZVMCYINT-QLFBSQMISA-N 0 3 257.393 3.306 20 30 CGEDHN C#CCN(Cc1cnc2ccccc2c1)CC1CC1 ZINC001254041059 806333446 /nfs/dbraw/zinc/33/34/46/806333446.db2.gz WOYMZLVGGRCPHZ-UHFFFAOYSA-N 0 3 250.345 3.080 20 30 CGEDHN N#C[C@H]1CC[C@H](N[C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC001254646069 806470062 /nfs/dbraw/zinc/47/00/62/806470062.db2.gz JZJWHNGXQJTCPW-LEWSCRJBSA-N 0 3 298.308 3.021 20 30 CGEDHN CC[C@H](CC#N)NCCCCCCNC(=O)OC(C)(C)C ZINC001255151908 806554600 /nfs/dbraw/zinc/55/46/00/806554600.db2.gz IZWRYGMRNQESAT-CQSZACIVSA-N 0 3 297.443 3.353 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCc2ccc(Cl)cc2C1 ZINC001255155871 806556496 /nfs/dbraw/zinc/55/64/96/806556496.db2.gz BVXXKHKKJNWLAM-HUUCEWRRSA-N 0 3 262.784 3.479 20 30 CGEDHN CC[C@H](CC#N)NCCc1cn(C)c2ccccc12 ZINC001255156292 806557213 /nfs/dbraw/zinc/55/72/13/806557213.db2.gz ZIUNXNAKWLIWFC-CQSZACIVSA-N 0 3 255.365 3.003 20 30 CGEDHN CC[C@@H](CC#N)N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001255173938 806567496 /nfs/dbraw/zinc/56/74/96/806567496.db2.gz GJDJQASBSITWBQ-PKOBYXMFSA-N 0 3 297.446 3.374 20 30 CGEDHN CC[C@H](CC#N)N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001255173936 806567557 /nfs/dbraw/zinc/56/75/57/806567557.db2.gz GJDJQASBSITWBQ-IEBWSBKVSA-N 0 3 297.446 3.374 20 30 CGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H](C)CCCC ZINC001255328875 806614867 /nfs/dbraw/zinc/61/48/67/806614867.db2.gz NKDFQIFALRCTJW-GDBMZVCRSA-N 0 3 291.439 3.101 20 30 CGEDHN CCCC[C@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001255332438 806618670 /nfs/dbraw/zinc/61/86/70/806618670.db2.gz PFSRKEJNZARCSU-AWEZNQCLSA-N 0 3 289.398 3.398 20 30 CGEDHN CCOC(=O)[C@H]1CCC[C@@H](N(CCC#N)C2CCCC2)C1 ZINC001255368590 806626574 /nfs/dbraw/zinc/62/65/74/806626574.db2.gz UPMQWVKWZDCKKL-GOEBONIOSA-N 0 3 292.423 3.267 20 30 CGEDHN C[C@@H](CC(F)(F)F)NC1(c2ccc(C#N)cc2)CC1 ZINC001255638771 806687752 /nfs/dbraw/zinc/68/77/52/806687752.db2.gz PEXAGFOKRHFHNZ-JTQLQIEISA-N 0 3 268.282 3.478 20 30 CGEDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c([O-])c1 ZINC000037748775 798873268 /nfs/dbraw/zinc/87/32/68/798873268.db2.gz RCMGGRIQHICXDI-CYBMUJFWSA-N 0 3 266.344 3.423 20 30 CGEDHN C#CCCOc1ccc(CN2CCSC[C@H]2C)cc1 ZINC000179664119 799109912 /nfs/dbraw/zinc/10/99/12/799109912.db2.gz ZNFJLJARXMEMFT-CQSZACIVSA-N 0 3 275.417 3.026 20 30 CGEDHN N#Cc1c[nH]c2cc(N[C@@H]3CNCc4ccsc43)ccc12 ZINC001163229627 806730747 /nfs/dbraw/zinc/73/07/47/806730747.db2.gz QFUFOYDUGOHIJR-OAHLLOKOSA-N 0 3 294.383 3.357 20 30 CGEDHN CC(C)(C#N)CCCCN1CCO[C@H](C(F)(F)F)CC1 ZINC000686845881 799735713 /nfs/dbraw/zinc/73/57/13/799735713.db2.gz XLXYNFCRANLPCW-LBPRGKRZSA-N 0 3 292.345 3.360 20 30 CGEDHN N#CC(C(=O)C1CCC2(CC2)CC1)c1ccccn1 ZINC000695624120 799829493 /nfs/dbraw/zinc/82/94/93/799829493.db2.gz WFAYZNUJJSTQLP-ZDUSSCGKSA-N 0 3 254.333 3.228 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cn(CCC)nn1 ZINC000715879660 800149848 /nfs/dbraw/zinc/14/98/48/800149848.db2.gz GGRXPIPXYPZJGA-OLZOCXBDSA-N 0 3 250.390 3.084 20 30 CGEDHN COC(C)(C)[C@@H](C)NCc1ccc(C#N)cc1Cl ZINC000720209496 800253828 /nfs/dbraw/zinc/25/38/28/800253828.db2.gz WKLOEPWCBUQMPU-SNVBAGLBSA-N 0 3 266.772 3.115 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)CCC)CC1 ZINC001163841710 806836131 /nfs/dbraw/zinc/83/61/31/806836131.db2.gz QLLAXGUUCUYHFO-LBPRGKRZSA-N 0 3 286.847 3.051 20 30 CGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917661 800825491 /nfs/dbraw/zinc/82/54/91/800825491.db2.gz CYWKKKAVIVHGIY-INIZCTEOSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001028257967 800838629 /nfs/dbraw/zinc/83/86/29/800838629.db2.gz JXSDFUYUDORZHK-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1C ZINC001032644390 800932583 /nfs/dbraw/zinc/93/25/83/800932583.db2.gz BRNAQHUGJMKXSQ-IRXDYDNUSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033698094 800975021 /nfs/dbraw/zinc/97/50/21/800975021.db2.gz MCHLKULXYAGZFW-PQUAAJSLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033706069 800977134 /nfs/dbraw/zinc/97/71/34/800977134.db2.gz VFEFUNMEEVHWLT-GPANFISMSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016300 800993849 /nfs/dbraw/zinc/99/38/49/800993849.db2.gz HHQGCXIVIZTVJU-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034543668 801032750 /nfs/dbraw/zinc/03/27/50/801032750.db2.gz IQEHSOZHPVPOOK-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001039413810 801161326 /nfs/dbraw/zinc/16/13/26/801161326.db2.gz AYFMXEKFAWSWIZ-CVEARBPZSA-N 0 3 290.451 3.230 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)ccc2C)C1 ZINC001046796669 801326321 /nfs/dbraw/zinc/32/63/21/801326321.db2.gz NMAVBOBWRKCGIN-SFHVURJKSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049500174 801375337 /nfs/dbraw/zinc/37/53/37/801375337.db2.gz CXTMEJNCMRIXCM-KBPBESRZSA-N 0 3 296.842 3.016 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)(C)C ZINC001049637520 801380426 /nfs/dbraw/zinc/38/04/26/801380426.db2.gz HIGOTKIDWMSHLP-LSDHHAIUSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)(CC)CC ZINC001049815667 801389711 /nfs/dbraw/zinc/38/97/11/801389711.db2.gz QIBYBKNLBUZZOS-JKSUJKDBSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CC2CCCCC2)CC[C@H]1C ZINC001071335372 801530701 /nfs/dbraw/zinc/53/07/01/801530701.db2.gz VCUWMDVAEDCKDG-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071419850 801534001 /nfs/dbraw/zinc/53/40/01/801534001.db2.gz FQFJJBQDUKOITP-YOEHRIQHSA-N 0 3 290.451 3.422 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3CCCCCC3)[C@@H]2C1 ZINC001076296319 801616109 /nfs/dbraw/zinc/61/61/09/801616109.db2.gz ZNFOFLVWRYAYEU-DLBZAZTESA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001081061410 801658560 /nfs/dbraw/zinc/65/85/60/801658560.db2.gz QMBYCAIHVXRVOP-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccs2)[C@H]1CC ZINC001087721813 801765676 /nfs/dbraw/zinc/76/56/76/801765676.db2.gz GRUGWHOUHJQYRN-HZSPNIEDSA-N 0 3 292.448 3.007 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C(C)=C\C)C1 ZINC001088291954 801781084 /nfs/dbraw/zinc/78/10/84/801781084.db2.gz QDCWRVNBJLDHAL-VQEQIULKSA-N 0 3 284.831 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC001088995208 801816388 /nfs/dbraw/zinc/81/63/88/801816388.db2.gz FOCARVAAZPGAHF-DOMZBBRYSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1 ZINC001089600528 801843065 /nfs/dbraw/zinc/84/30/65/801843065.db2.gz GBZDKQCVOLVTKJ-INIZCTEOSA-N 0 3 286.419 3.093 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)cc1 ZINC001096048579 801888027 /nfs/dbraw/zinc/88/80/27/801888027.db2.gz ZFXOIUYRKAQTNC-SQNIBIBYSA-N 0 3 296.414 3.241 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)/C=C(/C)CC)C1 ZINC001102950408 802024181 /nfs/dbraw/zinc/02/41/81/802024181.db2.gz UDQRZMZCBOUNNF-MKGJVGOLSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCCC)C[C@H]1C ZINC001103892389 802041208 /nfs/dbraw/zinc/04/12/08/802041208.db2.gz OQQMZYHVIPWETH-TZMCWYRMSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001109051965 802106278 /nfs/dbraw/zinc/10/62/78/802106278.db2.gz MCBAHMDSQFXRFU-FZKCQIBNSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001112686085 802183790 /nfs/dbraw/zinc/18/37/90/802183790.db2.gz OQWWLLXPYNWSQF-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC[C@H](C)CC)CC1 ZINC001113452925 802222303 /nfs/dbraw/zinc/22/23/03/802222303.db2.gz NLIOOUCBRHHWEO-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN Cc1ccc(N=NC2C[C@H](C)N(C)C2)cc1Cl ZINC001116276562 802322077 /nfs/dbraw/zinc/32/20/77/802322077.db2.gz UDSLQAQPEXGBJK-JTQLQIEISA-N 0 3 251.761 3.140 20 30 CGEDHN C[C@H](CCCC#N)NC(C)(C)C(=O)c1ccccc1 ZINC001172475772 808340507 /nfs/dbraw/zinc/34/05/07/808340507.db2.gz BLHXPDRTHXPHER-CYBMUJFWSA-N 0 3 258.365 3.320 20 30 CGEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)c2ccccc21 ZINC001119817970 802701037 /nfs/dbraw/zinc/70/10/37/802701037.db2.gz MCDOSVQXKYZYJY-VXGBXAGGSA-N 0 3 288.778 3.418 20 30 CGEDHN C[C@H](C(=O)NC(C)(C)C)N(C)CCCCC1(C#N)CCC1 ZINC001119822329 802701876 /nfs/dbraw/zinc/70/18/76/802701876.db2.gz GZFBDTBHKZSCHB-CQSZACIVSA-N 0 3 293.455 3.086 20 30 CGEDHN C#C[C@H](CC)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC001120595778 802752015 /nfs/dbraw/zinc/75/20/15/802752015.db2.gz JSISJBYGQLCKJP-MFKMUULPSA-N 0 3 272.175 3.028 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1cccc2ccccc21 ZINC001121912921 802851090 /nfs/dbraw/zinc/85/10/90/802851090.db2.gz SKBDXHKRJWNCBH-KRWDZBQOSA-N 0 3 282.387 3.140 20 30 CGEDHN Cc1cc(F)cc(C(=O)C(C#N)c2cccc(F)n2)c1 ZINC001122632127 802877467 /nfs/dbraw/zinc/87/74/67/802877467.db2.gz PVSJALJXQXPVJP-GFCCVEGCSA-N 0 3 272.254 3.158 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1ccsc1Cl ZINC001123234641 802920102 /nfs/dbraw/zinc/92/01/02/802920102.db2.gz ZDGPUXXCTSQHIS-VIFPVBQESA-N 0 3 279.752 3.108 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C(C1CCC1)C1CCC1 ZINC001123335986 802930286 /nfs/dbraw/zinc/93/02/86/802930286.db2.gz AVELZQUFRNNVJJ-AWEZNQCLSA-N 0 3 285.391 3.296 20 30 CGEDHN C=CCC(CC=C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123475720 802947597 /nfs/dbraw/zinc/94/75/97/802947597.db2.gz HLVNRKPWMASWSD-GFCCVEGCSA-N 0 3 276.286 3.304 20 30 CGEDHN CC(C)(CC(=O)C(C#N)c1ncc(F)cc1F)C1CC1 ZINC001123475267 802947839 /nfs/dbraw/zinc/94/78/39/802947839.db2.gz DCOVBSDTRYAONY-LLVKDONJSA-N 0 3 278.302 3.362 20 30 CGEDHN N#C[C@H]1CC=C(c2ccc(CN3CCCC3)cn2)CC1 ZINC001243800913 803018163 /nfs/dbraw/zinc/01/81/63/803018163.db2.gz VGNQEKHXXJQUJK-AWEZNQCLSA-N 0 3 267.376 3.384 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCC2CCCC2)CC[C@H]1C ZINC001131764707 803344185 /nfs/dbraw/zinc/34/41/85/803344185.db2.gz MFXVQSLCHVYEKC-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(C)C)CC[C@H]1C ZINC001132065462 803371599 /nfs/dbraw/zinc/37/15/99/803371599.db2.gz USDLVRKSXYUBTC-CABCVRRESA-N 0 3 280.456 3.214 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)N(CC(=C)C)C2)CC1 ZINC001132277219 803390782 /nfs/dbraw/zinc/39/07/82/803390782.db2.gz CQPZKYPHQQSCLH-JKSUJKDBSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CC(=C)C)C2)CC1 ZINC001132277218 803391170 /nfs/dbraw/zinc/39/11/70/803391170.db2.gz CQPZKYPHQQSCLH-HZPDHXFCSA-N 0 3 290.451 3.278 20 30 CGEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132416149 803401841 /nfs/dbraw/zinc/40/18/41/803401841.db2.gz AOUMIVBBPSJVGI-HZPDHXFCSA-N 0 3 292.467 3.051 20 30 CGEDHN C=CCCCCN(C)Cc1cnc2cc(C)ccn12 ZINC001136890867 803659429 /nfs/dbraw/zinc/65/94/29/803659429.db2.gz ALFSVRWUOFQLEV-UHFFFAOYSA-N 0 3 257.381 3.431 20 30 CGEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2nccnc2c1 ZINC001137091228 803681930 /nfs/dbraw/zinc/68/19/30/803681930.db2.gz RFGVJUYNIJPJKV-UHFFFAOYSA-N 0 3 288.354 3.133 20 30 CGEDHN C=CCCCCN(C)Cc1cnc2ccc(C)cn12 ZINC001137310623 803712549 /nfs/dbraw/zinc/71/25/49/803712549.db2.gz IPBLQGDIICOBLD-UHFFFAOYSA-N 0 3 257.381 3.431 20 30 CGEDHN N#CCc1cccc(C2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001245423642 803733055 /nfs/dbraw/zinc/73/30/55/803733055.db2.gz JGRNIHZYNLSNEI-GOSISDBHSA-N 0 3 282.387 3.021 20 30 CGEDHN COc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(C#N)c1 ZINC001137704400 803760280 /nfs/dbraw/zinc/76/02/80/803760280.db2.gz DPZPNEYKCVAIGM-SUMWQHHRSA-N 0 3 270.376 3.331 20 30 CGEDHN COc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(C#N)c1 ZINC001137704398 803760368 /nfs/dbraw/zinc/76/03/68/803760368.db2.gz DPZPNEYKCVAIGM-DYVFJYSZSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC001138624283 803982936 /nfs/dbraw/zinc/98/29/36/803982936.db2.gz AYTHTAUTDYNEJQ-RDJZCZTQSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC001138624283 803982939 /nfs/dbraw/zinc/98/29/39/803982939.db2.gz AYTHTAUTDYNEJQ-RDJZCZTQSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC001138629716 803985005 /nfs/dbraw/zinc/98/50/05/803985005.db2.gz GTEQNNNGMNIPEV-GOSISDBHSA-N 0 3 287.403 3.123 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC001138629716 803985009 /nfs/dbraw/zinc/98/50/09/803985009.db2.gz GTEQNNNGMNIPEV-GOSISDBHSA-N 0 3 287.403 3.123 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1[O-] ZINC001138631345 803986506 /nfs/dbraw/zinc/98/65/06/803986506.db2.gz PWZVAPYIOFDKLV-XJKSGUPXSA-N 0 3 275.392 3.120 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1[O-] ZINC001138631345 803986513 /nfs/dbraw/zinc/98/65/13/803986513.db2.gz PWZVAPYIOFDKLV-XJKSGUPXSA-N 0 3 275.392 3.120 20 30 CGEDHN N#Cc1cccc2c(CN3CCC[C@H](C#N)CC3)c[nH]c21 ZINC001139703019 804259231 /nfs/dbraw/zinc/25/92/31/804259231.db2.gz GPRNYBANYQYMBU-ZDUSSCGKSA-N 0 3 278.359 3.165 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C=C1CCC(C)(C)CC1 ZINC001139869667 804303491 /nfs/dbraw/zinc/30/34/91/804303491.db2.gz OZXYSNRHAXLWOS-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN N#Cc1cc(F)cc(CN2CCC[C@H]2Cc2ccccn2)c1 ZINC001139875150 804305642 /nfs/dbraw/zinc/30/56/42/804305642.db2.gz IMAOLXHEAAQPSD-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN N#C[C@H]1CCCN(Cc2cncc3ccccc32)CC1 ZINC001139895168 804320653 /nfs/dbraw/zinc/32/06/53/804320653.db2.gz PLPMBKILXDARQA-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(-c2cncnc2)cc1 ZINC001140353522 804424277 /nfs/dbraw/zinc/42/42/77/804424277.db2.gz IYQADUULOWAQAC-UHFFFAOYSA-N 0 3 265.360 3.318 20 30 CGEDHN C[C@H]1CN(Cc2cc(C#N)ccc2Cl)CCC[C@@]1(C)O ZINC001140600352 804471587 /nfs/dbraw/zinc/47/15/87/804471587.db2.gz IQLRFNOXMIBYJQ-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2ncn(C)c2c1 ZINC001140745736 804502372 /nfs/dbraw/zinc/50/23/72/804502372.db2.gz AQIMZXIBOWQWOW-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN CCCCc1ncc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)[nH]1 ZINC001141072655 804585486 /nfs/dbraw/zinc/58/54/86/804585486.db2.gz WMKRVHFATNRAPN-XMQYKBBCSA-N 0 3 272.396 3.019 20 30 CGEDHN C[C@H]1CCCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141106829 804590911 /nfs/dbraw/zinc/59/09/11/804590911.db2.gz JFWHTWMVDWSURB-VIFPVBQESA-N 0 3 283.828 3.477 20 30 CGEDHN C[C@@H]1C[C@H](C)CN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113155 804592552 /nfs/dbraw/zinc/59/25/52/804592552.db2.gz CMAJJTMGUWARHC-DTORHVGOSA-N 0 3 283.828 3.333 20 30 CGEDHN CCCCCCCCNC(=S)NC[C@H]1CCCCN1C ZINC001247166175 804672766 /nfs/dbraw/zinc/67/27/66/804672766.db2.gz FARSSLJLVWBYKG-OAHLLOKOSA-N 0 3 299.528 3.295 20 30 CGEDHN CC(C)(C)c1ccc(-c2noc([C@@H]3CCCN3)n2)c(C#N)c1 ZINC001247497916 804752091 /nfs/dbraw/zinc/75/20/91/804752091.db2.gz MTFFBWKXAPSQMS-AWEZNQCLSA-N 0 3 296.374 3.330 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c3ccoc3ccc2F)C1 ZINC001248541816 804946256 /nfs/dbraw/zinc/94/62/56/804946256.db2.gz LGHUPPPGESWSAX-LBPRGKRZSA-N 0 3 257.308 3.417 20 30 CGEDHN CCCO[C@H]1CCN(Cc2ccc(C#N)cc2CC)C1 ZINC001248751059 804983747 /nfs/dbraw/zinc/98/37/47/804983747.db2.gz HSQNIJXHAYAFBD-KRWDZBQOSA-N 0 3 272.392 3.122 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](Oc3ccncc3C)C2)cc1 ZINC001144581551 805010192 /nfs/dbraw/zinc/01/01/92/805010192.db2.gz WJLUWADTXHHINF-SFHVURJKSA-N 0 3 292.382 3.025 20 30 CGEDHN N#Cc1cccc(-c2noc([C@@H]3CCCN3CC3CC3)n2)c1 ZINC001249073167 805083511 /nfs/dbraw/zinc/08/35/11/805083511.db2.gz JNASBADUMUQQGQ-HNNXBMFYSA-N 0 3 294.358 3.155 20 30 CGEDHN CC(C)C1CCN(Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249113324 805093529 /nfs/dbraw/zinc/09/35/29/805093529.db2.gz HAGIGTLLFCEAHF-UHFFFAOYSA-N 0 3 282.391 3.074 20 30 CGEDHN CC(C)(C)c1c[nH]c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001249476868 805155503 /nfs/dbraw/zinc/15/55/03/805155503.db2.gz JKJFZEXTVXKQNC-CQSZACIVSA-N 0 3 290.432 3.086 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)CCCCCC ZINC001154596972 805465961 /nfs/dbraw/zinc/46/59/61/805465961.db2.gz UXTCVRGMQZFTNV-SJORKVTESA-N 0 3 294.483 3.443 20 30 CGEDHN C=C(CC(C)C)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001154889574 805506116 /nfs/dbraw/zinc/50/61/16/805506116.db2.gz QPIRYMAMKWQLOU-HNNXBMFYSA-N 0 3 278.440 3.064 20 30 CGEDHN CN(C)Cc1ccc(CC(=O)c2cccc(C#N)c2)cc1 ZINC001250289316 805544361 /nfs/dbraw/zinc/54/43/61/805544361.db2.gz MDCDPMRIBRIMLR-UHFFFAOYSA-N 0 3 278.355 3.045 20 30 CGEDHN COC1(C)CN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016340 807027318 /nfs/dbraw/zinc/02/73/18/807027318.db2.gz AIAYPNKQNMPZJI-UHFFFAOYSA-N 0 3 284.403 3.305 20 30 CGEDHN C=CCCCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC001167255769 807172158 /nfs/dbraw/zinc/17/21/58/807172158.db2.gz MNKUPMFQTHUEHY-UHFFFAOYSA-N 0 3 279.815 3.213 20 30 CGEDHN CCC[C@@H](C)CC[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001257485486 807180683 /nfs/dbraw/zinc/18/06/83/807180683.db2.gz MWODQJJWVZMBQD-HUUCEWRRSA-N 0 3 294.439 3.370 20 30 CGEDHN C=C1CCN(C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001167330218 807182285 /nfs/dbraw/zinc/18/22/85/807182285.db2.gz YHRCMFMHADGRCA-CQSZACIVSA-N 0 3 280.412 3.038 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001167583740 807209209 /nfs/dbraw/zinc/20/92/09/807209209.db2.gz PHAKSZWKGFQLSR-DZGCQCFKSA-N 0 3 298.858 3.051 20 30 CGEDHN C=C(C)C(=O)NCCCNc1ccc2cnc(C)cc2c1 ZINC001167671746 807224421 /nfs/dbraw/zinc/22/44/21/807224421.db2.gz MVFAABUFENODJU-UHFFFAOYSA-N 0 3 283.375 3.038 20 30 CGEDHN Clc1ccc2c(c1)C[C@@H](NCC#Cc1ccccc1)CO2 ZINC001257955191 807254361 /nfs/dbraw/zinc/25/43/61/807254361.db2.gz WFAVVIBBQQIYIH-QGZVFWFLSA-N 0 3 297.785 3.285 20 30 CGEDHN CCCCCCC[C@H](C)N1CCC(=O)[C@@H](C(=O)OCC)C1 ZINC001258044771 807273316 /nfs/dbraw/zinc/27/33/16/807273316.db2.gz UWGFUDZOWKGIJD-GJZGRUSLSA-N 0 3 297.439 3.190 20 30 CGEDHN CCCCCCC[C@H](C)N1CCC(O)=C(C(=O)OCC)C1 ZINC001258044771 807273318 /nfs/dbraw/zinc/27/33/18/807273318.db2.gz UWGFUDZOWKGIJD-GJZGRUSLSA-N 0 3 297.439 3.190 20 30 CGEDHN CCCCCCC[C@@H](C)N1Cc2ccnn2CC[C@@H]1CO ZINC001258050758 807276810 /nfs/dbraw/zinc/27/68/10/807276810.db2.gz XTYRYBZKFVRRLR-NVXWUHKLSA-N 0 3 293.455 3.199 20 30 CGEDHN N#Cc1ccc(N(C(=N)N)c2ccc(F)cc2)c2cc[nH]c21 ZINC001167994912 807295052 /nfs/dbraw/zinc/29/50/52/807295052.db2.gz SFQILSNCVBEASH-UHFFFAOYSA-N 0 3 293.305 3.210 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)NCc1ccc(C#N)o1 ZINC001168464117 807424994 /nfs/dbraw/zinc/42/49/94/807424994.db2.gz DGKZYCKHPZMOBY-LLVKDONJSA-N 0 3 258.296 3.011 20 30 CGEDHN CCCCC(CCCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258385601 807435512 /nfs/dbraw/zinc/43/55/12/807435512.db2.gz ZVLAIWNNLKQZED-JSGCOSHPSA-N 0 3 272.433 3.245 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)CCCCCC ZINC001168846870 807525116 /nfs/dbraw/zinc/52/51/16/807525116.db2.gz WMXMKIMGLQXGFB-ZDUSSCGKSA-N 0 3 288.863 3.441 20 30 CGEDHN CCCCCCC[C@H](CC(C)C)NC1CS(=O)(=O)C1 ZINC001258713614 807565051 /nfs/dbraw/zinc/56/50/51/807565051.db2.gz BQFQKOBJRYTEDD-CQSZACIVSA-N 0 3 289.485 3.148 20 30 CGEDHN C=CCC[C@H](C)NCc1cccnc1Br ZINC001258721559 807570032 /nfs/dbraw/zinc/57/00/32/807570032.db2.gz ZJHPYJZUIQPYIW-JTQLQIEISA-N 0 3 269.186 3.288 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC001258730062 807575694 /nfs/dbraw/zinc/57/56/94/807575694.db2.gz AEIMRXFEIMGUKU-CQSZACIVSA-N 0 3 262.372 3.302 20 30 CGEDHN C[C@H](Cc1cccc(Cl)c1)NC(=N)c1ccc(F)cn1 ZINC001258737548 807583894 /nfs/dbraw/zinc/58/38/94/807583894.db2.gz GIDYKFZOSPYXMZ-SNVBAGLBSA-N 0 3 291.757 3.211 20 30 CGEDHN C=C(C)CCc1ccccc1-n1ccc([C@H](C)N)n1 ZINC001169232949 807611355 /nfs/dbraw/zinc/61/13/55/807611355.db2.gz KQNAGKQHGLZVNU-ZDUSSCGKSA-N 0 3 255.365 3.401 20 30 CGEDHN CCOC(=O)C1(C#N)CCN([C@H](C)CCCC(C)C)CC1 ZINC001170088757 807753145 /nfs/dbraw/zinc/75/31/45/807753145.db2.gz ZCOYGUSFBWKDPE-OAHLLOKOSA-N 0 3 294.439 3.370 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cc(F)cc(F)c3C2)CCC1 ZINC001170654793 807869743 /nfs/dbraw/zinc/86/97/43/807869743.db2.gz KTMRNLAILUDVBA-CYBMUJFWSA-N 0 3 276.330 3.106 20 30 CGEDHN N#Cc1ccccc1CN[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663511 807870283 /nfs/dbraw/zinc/87/02/83/807870283.db2.gz DJBOTEQVJXMSSX-INIZCTEOSA-N 0 3 298.336 3.484 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC001263084175 807931991 /nfs/dbraw/zinc/93/19/91/807931991.db2.gz LJHMWYLQVSJKOT-CQSZACIVSA-N 0 3 292.810 3.129 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NCc1cccnc1C ZINC001263166488 807937511 /nfs/dbraw/zinc/93/75/11/807937511.db2.gz IRCWOMXJCDXVLB-INIZCTEOSA-N 0 3 291.439 3.084 20 30 CGEDHN FC(F)(F)c1ccc2nccc(NCCCS)c2c1 ZINC001171002540 807956038 /nfs/dbraw/zinc/95/60/38/807956038.db2.gz QHJNHNNIWVJZIT-UHFFFAOYSA-N 0 3 286.322 3.407 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022034 807962516 /nfs/dbraw/zinc/96/25/16/807962516.db2.gz IVZCOJAPFOQNEM-QWHCGFSZSA-N 0 3 262.784 3.479 20 30 CGEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001264369354 808061177 /nfs/dbraw/zinc/06/11/77/808061177.db2.gz UYRPPCWOVUHPGC-UGAXZCSASA-N 0 3 290.451 3.069 20 30 CGEDHN CC#CCN1CCC[C@@H](CNC(=O)CCCCC(C)C)C1 ZINC001265592858 808159060 /nfs/dbraw/zinc/15/90/60/808159060.db2.gz LHZCNVICYPNILU-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCCCC(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2)C1 ZINC001266215322 808227914 /nfs/dbraw/zinc/22/79/14/808227914.db2.gz JELCYKJTNLUKTF-FUHWJXTLSA-N 0 3 298.430 3.132 20 30 CGEDHN C#CCCCC(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2)C1 ZINC001266215329 808229022 /nfs/dbraw/zinc/22/90/22/808229022.db2.gz JELCYKJTNLUKTF-WMZOPIPTSA-N 0 3 298.430 3.132 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CCN2C(=O)OC[C@H]2C1 ZINC001172354487 808250899 /nfs/dbraw/zinc/25/08/99/808250899.db2.gz HUMBOXZCWOYHEA-HUUCEWRRSA-N 0 3 282.428 3.262 20 30 CGEDHN CCCCCCC[C@H](CC)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001172356567 808252436 /nfs/dbraw/zinc/25/24/36/808252436.db2.gz WZSFTIZTZFKGQG-LSDHHAIUSA-N 0 3 289.485 3.244 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(C)o2)CC1 ZINC001266382104 808253449 /nfs/dbraw/zinc/25/34/49/808253449.db2.gz GZJYFUGCNAYXGX-UHFFFAOYSA-N 0 3 290.407 3.091 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1ccc(C2CC2)cc1)C1CC1 ZINC001266619322 808298124 /nfs/dbraw/zinc/29/81/24/808298124.db2.gz IRWFFGIZOWUQGU-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN CC(C)OCC[C@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001172442698 808317807 /nfs/dbraw/zinc/31/78/07/808317807.db2.gz JNNVBYZAKILHJS-AWEZNQCLSA-N 0 3 272.392 3.120 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001266836990 808322162 /nfs/dbraw/zinc/32/21/62/808322162.db2.gz GPEVOHDKJOMLQC-JKSUJKDBSA-N 0 3 280.456 3.360 20 30 CGEDHN C[C@H](CCCC#N)N[C@H](c1ccccc1)c1cccnn1 ZINC001172487784 808347793 /nfs/dbraw/zinc/34/77/93/808347793.db2.gz DVZAKPCACWHUAU-RHSMWYFYSA-N 0 3 280.375 3.238 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(c2ccc(F)cc2)CC1 ZINC001172493667 808353232 /nfs/dbraw/zinc/35/32/32/808353232.db2.gz NQYALYYQELXOAN-CQSZACIVSA-N 0 3 275.371 3.030 20 30 CGEDHN C[C@@H](CCCC#N)N(C)Cc1nc2ccccc2o1 ZINC001172500079 808355074 /nfs/dbraw/zinc/35/50/74/808355074.db2.gz JLLJKEJOTWERPW-LBPRGKRZSA-N 0 3 257.337 3.342 20 30 CGEDHN Cc1ccc(CN2CCN([C@@H](C)CCCC#N)CC2)cc1 ZINC001172503396 808359400 /nfs/dbraw/zinc/35/94/00/808359400.db2.gz AWUQPMHGHVDWPE-KRWDZBQOSA-N 0 3 285.435 3.195 20 30 CGEDHN C[C@H](CCCC#N)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001172503165 808359645 /nfs/dbraw/zinc/35/96/45/808359645.db2.gz YGQAZLFOIIWADW-SJORKVTESA-N 0 3 285.435 3.448 20 30 CGEDHN C[C@H](CCCC#N)N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001172508075 808364082 /nfs/dbraw/zinc/36/40/82/808364082.db2.gz BBHZZVQLPZCGSI-ZBFHGGJFSA-N 0 3 285.391 3.172 20 30 CGEDHN C=CCN(CCNC(=O)c1cc2c(cccc2C)o1)C1CC1 ZINC001267337891 808417842 /nfs/dbraw/zinc/41/78/42/808417842.db2.gz LTZGNGPTBXRQNN-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN N=C(NC1CCC2(CCCC2)CC1)c1ccc(F)cn1 ZINC001172725250 808422356 /nfs/dbraw/zinc/42/23/56/808422356.db2.gz JKNGNTBTGWBZIT-UHFFFAOYSA-N 0 3 275.371 3.429 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@@H](C)c1ccco1)c1ccccc1 ZINC001267523819 808439909 /nfs/dbraw/zinc/43/99/09/808439909.db2.gz XHYPYLWHICZWJB-GOEBONIOSA-N 0 3 298.386 3.016 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CN(C)C[C@@H](F)CC)C1 ZINC001267669479 808468425 /nfs/dbraw/zinc/46/84/25/808468425.db2.gz FRQRQUYGHZYYQK-GJZGRUSLSA-N 0 3 298.446 3.117 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001267735172 808480591 /nfs/dbraw/zinc/48/05/91/808480591.db2.gz MWYMQWWVMBRHGN-RYUDHWBXSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCCC(C)C)CC2 ZINC001268045492 808532745 /nfs/dbraw/zinc/53/27/45/808532745.db2.gz BFTKKHZSJKLUEC-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(C)(C#N)CC1 ZINC001173231271 808542923 /nfs/dbraw/zinc/54/29/23/808542923.db2.gz ALVKPOLFTBNNIJ-ZDUSSCGKSA-N 0 3 287.363 3.151 20 30 CGEDHN C=CCOC1CCC(N2CCc3ncsc3C2)CC1 ZINC001173322997 808611321 /nfs/dbraw/zinc/61/13/21/808611321.db2.gz ATKZTWGUQSSLHK-UHFFFAOYSA-N 0 3 278.421 3.015 20 30 CGEDHN Cc1cc2c(cn1)CN(C1CCC(CC#N)CC1)C2 ZINC001173337239 808618532 /nfs/dbraw/zinc/61/85/32/808618532.db2.gz COKPMOLNDYEGFP-UHFFFAOYSA-N 0 3 255.365 3.178 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001269353007 808672942 /nfs/dbraw/zinc/67/29/42/808672942.db2.gz YOKCTNMMYHVZCB-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H](C)CCCCC)C1 ZINC001270631913 808739651 /nfs/dbraw/zinc/73/96/51/808739651.db2.gz GWTZJBJYCRRLSQ-NVXWUHKLSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001272546257 808816006 /nfs/dbraw/zinc/81/60/06/808816006.db2.gz RNOHUMGYPRQEKW-ZDUSSCGKSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N(CC(=C)C)C2 ZINC001273500949 808849897 /nfs/dbraw/zinc/84/98/97/808849897.db2.gz OQYWNQHIRCRWKH-SFHVURJKSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CC(C)C)CCCCC1 ZINC001276979878 809051326 /nfs/dbraw/zinc/05/13/26/809051326.db2.gz RNKVEDWWWOVDRP-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CC[C@H](C)C2)C1 ZINC001277027190 809054118 /nfs/dbraw/zinc/05/41/18/809054118.db2.gz OBFVWCMDLFCDLA-ATGSNQNLSA-N 0 3 298.858 3.050 20 30 CGEDHN Cc1cnccc1Nc1ccc(C(C)(C)C#N)cc1 ZINC001174539295 809071257 /nfs/dbraw/zinc/07/12/57/809071257.db2.gz GXZJNJXVZOJQJJ-UHFFFAOYSA-N 0 3 251.333 3.357 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)C(CC)CC)CCC[C@H]12 ZINC001278450490 809135519 /nfs/dbraw/zinc/13/55/19/809135519.db2.gz DDPNBZNZCLZIOE-UWWQBHOKSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CC(C)C ZINC001279585790 809175588 /nfs/dbraw/zinc/17/55/88/809175588.db2.gz DDGHGUZGOHURNF-YESZJQIVSA-N 0 3 292.467 3.310 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H](C=C)CC)cc1 ZINC001280354365 809186130 /nfs/dbraw/zinc/18/61/30/809186130.db2.gz OCZHLAZJCUGFQN-JKSUJKDBSA-N 0 3 298.430 3.189 20 30 CGEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001281566144 809215209 /nfs/dbraw/zinc/21/52/09/809215209.db2.gz DTOBWKSZRPECBC-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)CC[C@@H](C)CC)C1 ZINC001282066319 809229013 /nfs/dbraw/zinc/22/90/13/809229013.db2.gz LZFRAPMCIYERDD-XGNXJENSSA-N 0 3 286.847 3.050 20 30 CGEDHN N#Cc1cc(Br)c(Cl)cc1Nc1ncc[nH]1 ZINC001176090702 809620281 /nfs/dbraw/zinc/62/02/81/809620281.db2.gz NARPMCRVJMFWOF-UHFFFAOYSA-N 0 3 297.543 3.441 20 30 CGEDHN N#Cc1ccc(-c2ccccc2Nc2ncc[nH]2)nc1 ZINC001176091385 809620476 /nfs/dbraw/zinc/62/04/76/809620476.db2.gz ZLULRFFZNCQMJZ-UHFFFAOYSA-N 0 3 261.288 3.087 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1(CC)CCCCC1 ZINC001176804155 809762862 /nfs/dbraw/zinc/76/28/62/809762862.db2.gz ITOGPBVRGNZUDX-UHFFFAOYSA-N 0 3 286.847 3.195 20 30 CGEDHN CCCCCCCCC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001178710276 809884673 /nfs/dbraw/zinc/88/46/73/809884673.db2.gz YODSCZHNWLHKAO-CQSZACIVSA-N 0 3 268.445 3.193 20 30 CGEDHN CC#CCCCCCCCC(=O)N[C@]1(C)CCCN(C)C1 ZINC001182772345 810124344 /nfs/dbraw/zinc/12/43/44/810124344.db2.gz VANLVQSVKROIFX-GOSISDBHSA-N 0 3 292.467 3.341 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190371947 810623892 /nfs/dbraw/zinc/62/38/92/810623892.db2.gz XFDYBSGTFIBENI-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001192161367 810773001 /nfs/dbraw/zinc/77/30/01/810773001.db2.gz IMGFNRWGNZPXBU-WBVHZDCISA-N 0 3 278.440 3.088 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C1 ZINC001192930967 810831412 /nfs/dbraw/zinc/83/14/12/810831412.db2.gz FPMQEZAIZWAQHT-LSDHHAIUSA-N 0 3 283.460 3.081 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192977094 810837088 /nfs/dbraw/zinc/83/70/88/810837088.db2.gz HNYJYAXCLHLCSN-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194184144 811030388 /nfs/dbraw/zinc/03/03/88/811030388.db2.gz ZCYCOWYAZGNOAP-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(CC=C)CCCCC2)C1 ZINC001194183943 811030857 /nfs/dbraw/zinc/03/08/57/811030857.db2.gz WTJPPLOWRGRUQG-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN CC[C@H](C)N1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001194377080 811063010 /nfs/dbraw/zinc/06/30/10/811063010.db2.gz RERMGXVEZOCOEU-ZDUSSCGKSA-N 0 3 291.826 3.128 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629817 811098768 /nfs/dbraw/zinc/09/87/68/811098768.db2.gz ROZHEKYVNGTIBD-UHFFFAOYSA-N 0 3 284.419 3.015 20 30 CGEDHN C=C(C)CCN1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001195350324 811245741 /nfs/dbraw/zinc/24/57/41/811245741.db2.gz UKUZRDXEJBKMLC-KBPBESRZSA-N 0 3 267.413 3.395 20 30 CGEDHN CCCCCCCCN1CC(N2CCC(F)CC2)C1 ZINC001201825677 811967550 /nfs/dbraw/zinc/96/75/50/811967550.db2.gz CBHMIERDJSSHOD-UHFFFAOYSA-N 0 3 270.436 3.465 20 30 CGEDHN CCCCCCCCCN1CCC(O)=C(C(=O)OCC)C1 ZINC001201838924 811969457 /nfs/dbraw/zinc/96/94/57/811969457.db2.gz GKXUSIMDBCNMBJ-OAHLLOKOSA-N 0 3 297.439 3.191 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCC(C)C)C12CCC2 ZINC001202446082 812097003 /nfs/dbraw/zinc/09/70/03/812097003.db2.gz BAMWUHAIGVACGA-KGLIPLIRSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCN(Cc1cccc(OC)c1OC)C(C)(C)C ZINC001203452033 812363080 /nfs/dbraw/zinc/36/30/80/812363080.db2.gz JNRQCCQMJNPTER-UHFFFAOYSA-N 0 3 263.381 3.490 20 30 CGEDHN CN1CCN(Cc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC001203760959 812456306 /nfs/dbraw/zinc/45/63/06/812456306.db2.gz VJQVHTPZSSPTTI-IBGZPJMESA-N 0 3 291.398 3.047 20 30 CGEDHN N#Cc1cccc(C2CCN(Cc3ccccn3)CC2)c1 ZINC001204062022 812537455 /nfs/dbraw/zinc/53/74/55/812537455.db2.gz VOACTPSUVNPWRB-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(Cl)s3)CCC2S1 ZINC001204444775 812640870 /nfs/dbraw/zinc/64/08/70/812640870.db2.gz UJXVKTLRFZYYQR-JTQLQIEISA-N 0 3 285.821 3.176 20 30 CGEDHN C#C[C@H](N[C@H]1CCC[C@H](OCC)C1)c1ccc(F)cc1 ZINC001205980449 813150276 /nfs/dbraw/zinc/15/02/76/813150276.db2.gz LAXZAFAFJMBGRM-ULQDDVLXSA-N 0 3 275.367 3.437 20 30 CGEDHN C=CCCCCCCCN1CC[C@@](N)(C(F)(F)F)C1 ZINC001206222529 813247527 /nfs/dbraw/zinc/24/75/27/813247527.db2.gz PCAKRPBZYUEPNK-ZDUSSCGKSA-N 0 3 278.362 3.479 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC001208320882 813753505 /nfs/dbraw/zinc/75/35/05/813753505.db2.gz BXGZLALQGRDFNT-ZIAGYGMSSA-N 0 3 280.456 3.071 20 30 CGEDHN CN1CC=C(Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001208843724 813865389 /nfs/dbraw/zinc/86/53/89/813865389.db2.gz GOJNNYXNWOGLGQ-UHFFFAOYSA-N 0 3 255.365 3.119 20 30 CGEDHN CN1CC=C(Nc2ccc(OC(F)(F)F)cc2C#N)CC1 ZINC001208980965 813912361 /nfs/dbraw/zinc/91/23/61/813912361.db2.gz ZFAYOTSJNOLDAN-UHFFFAOYSA-N 0 3 297.280 3.088 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC2CCCC2)C1 ZINC001209115591 813937899 /nfs/dbraw/zinc/93/78/99/813937899.db2.gz GRZLWQGLPKYABK-BFYDXBDKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCCCN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001209202321 813967291 /nfs/dbraw/zinc/96/72/91/813967291.db2.gz AXENHOBRFZGZKB-GVDBMIGSSA-N 0 3 279.424 3.001 20 30 CGEDHN C=CCCCCCCN1CCN(c2cccnc2)CC1 ZINC001209431436 814031579 /nfs/dbraw/zinc/03/15/79/814031579.db2.gz NWMGALNSGKZKCT-UHFFFAOYSA-N 0 3 273.424 3.340 20 30 CGEDHN C=CCCCCCCN1CCCC[C@@]12CC(=O)N(C)C2 ZINC001209435467 814036623 /nfs/dbraw/zinc/03/66/23/814036623.db2.gz KBQCBYDEEWSLAV-KRWDZBQOSA-N 0 3 278.440 3.210 20 30 CGEDHN C=CCCCCCCCN1C[C@@H](F)C[C@H](CO)C1 ZINC001209438922 814038842 /nfs/dbraw/zinc/03/88/42/814038842.db2.gz YFKQIWWTEYDDCB-GJZGRUSLSA-N 0 3 257.393 3.165 20 30 CGEDHN C=CCCCCCCCCN1CCN(C(C)=O)C[C@@H]1C ZINC001209446211 814045366 /nfs/dbraw/zinc/04/53/66/814045366.db2.gz STDQIMMLWUOSPO-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN N#Cc1ccc([O-])c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001210715492 814594933 /nfs/dbraw/zinc/59/49/33/814594933.db2.gz VGJXDZTUZRZDQJ-OAHLLOKOSA-N 0 3 283.375 3.208 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001211399437 814888762 /nfs/dbraw/zinc/88/87/62/814888762.db2.gz PECYADHRISGIDJ-BZUAXINKSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2ccccc2F)no1 ZINC001211435066 814891647 /nfs/dbraw/zinc/89/16/47/814891647.db2.gz VWRPRDXKMFQZQP-UHFFFAOYSA-N 0 3 287.338 3.375 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC001211434977 814891860 /nfs/dbraw/zinc/89/18/60/814891860.db2.gz QRTYIIKIENUINR-UHFFFAOYSA-N 0 3 287.338 3.375 20 30 CGEDHN C=CCCCCCCCCO[C@@H]1CNC[C@H]1C#N ZINC001217834631 815974131 /nfs/dbraw/zinc/97/41/31/815974131.db2.gz YRVNVSHGXQUZLB-HUUCEWRRSA-N 0 3 250.386 3.031 20 30 CGEDHN C[C@H](C#N)c1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1 ZINC001218871142 816256670 /nfs/dbraw/zinc/25/66/70/816256670.db2.gz HTWXMWFDCVMTKG-WBMJQRKESA-N 0 3 285.391 3.160 20 30 CGEDHN Cc1cc(C#N)cc(C)c1-c1cncc(CN(C)C)c1 ZINC001222662831 816493896 /nfs/dbraw/zinc/49/38/96/816493896.db2.gz DPDBPPCADFBNIZ-UHFFFAOYSA-N 0 3 265.360 3.299 20 30 CGEDHN C#CCN1CCC(CNC(=O)CCCC[C@@H](C)CC)CC1 ZINC001223321177 816605173 /nfs/dbraw/zinc/60/51/73/816605173.db2.gz VOPQCUIRWOHURM-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(CC)CC ZINC001224941803 816914535 /nfs/dbraw/zinc/91/45/35/816914535.db2.gz DQRFIZOBODETJF-ZIAGYGMSSA-N 0 3 286.847 3.192 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(OCCCOC)cc1 ZINC001231504480 818115576 /nfs/dbraw/zinc/11/55/76/818115576.db2.gz HRONIXSUEISWPY-UHFFFAOYSA-N 0 3 275.392 3.276 20 30 CGEDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(S)CC1 ZINC001231590066 818128845 /nfs/dbraw/zinc/12/88/45/818128845.db2.gz HWPGHIYDTMEUBF-UHFFFAOYSA-N 0 3 273.401 3.440 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001231621961 818137748 /nfs/dbraw/zinc/13/77/48/818137748.db2.gz MYEDKAXPVHDNJS-AEFFLSMTSA-N 0 3 287.403 3.252 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](F)C(F)(F)CC2)c1 ZINC001231656761 818149759 /nfs/dbraw/zinc/14/97/59/818149759.db2.gz QVUXMRZEKWVMAY-AWEZNQCLSA-N 0 3 267.294 3.237 20 30 CGEDHN CC1(C)CN(Cc2ccc(C#N)c(Cl)c2)[C@@](C)(CO)C1 ZINC001232111398 818259046 /nfs/dbraw/zinc/25/90/46/818259046.db2.gz GNBIVJAXJQPWCP-MRXNPFEDSA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1ccnc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001232479665 818364804 /nfs/dbraw/zinc/36/48/04/818364804.db2.gz VAYDRGLACAUDOU-OAHLLOKOSA-N 0 3 281.334 3.082 20 30 CGEDHN CCN(CCc1ccc(OC)cc1)Cc1cc(C#N)ccn1 ZINC001232481960 818367107 /nfs/dbraw/zinc/36/71/07/818367107.db2.gz NBBGPTILYUKUMZ-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN N#CCC1CCN(Cc2ccc3ncsc3c2)CC1 ZINC001232742056 818430939 /nfs/dbraw/zinc/43/09/39/818430939.db2.gz RLXOXKRYHZAGNM-UHFFFAOYSA-N 0 3 271.389 3.422 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233562315 818642593 /nfs/dbraw/zinc/64/25/93/818642593.db2.gz YJNPMMBEHBLAPO-KBHCHJSJSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001233601154 818655006 /nfs/dbraw/zinc/65/50/06/818655006.db2.gz RDVSANRUBNAIOB-KRWDZBQOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCN(Cc1ccc2c(n1)OCCO2)C1CCCCC1 ZINC001233905513 818728293 /nfs/dbraw/zinc/72/82/93/818728293.db2.gz WFCPQUZSOHOENP-UHFFFAOYSA-N 0 3 288.391 3.174 20 30 CGEDHN C#Cc1ccc(O[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC001233966319 818743025 /nfs/dbraw/zinc/74/30/25/818743025.db2.gz UXKKIALSQOAQSS-GOSISDBHSA-N 0 3 292.382 3.106 20 30 CGEDHN N#CC1CCN(Cc2cccc(N3CCCC3)c2)CC1 ZINC001235090402 818997554 /nfs/dbraw/zinc/99/75/54/818997554.db2.gz UFGUGGUTENRHAH-UHFFFAOYSA-N 0 3 269.392 3.022 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4occc43)CCC2S1 ZINC001236738461 819588992 /nfs/dbraw/zinc/58/89/92/819588992.db2.gz VJRXXDRANMWRDN-HNNXBMFYSA-N 0 3 285.368 3.207 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4occc43)CC[C@@H]2S1 ZINC001236738461 819588996 /nfs/dbraw/zinc/58/89/96/819588996.db2.gz VJRXXDRANMWRDN-HNNXBMFYSA-N 0 3 285.368 3.207 20 30 CGEDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1[O-] ZINC001237687155 819806103 /nfs/dbraw/zinc/80/61/03/819806103.db2.gz RTJQJPLHZFCNAX-GFCCVEGCSA-N 0 3 278.783 3.480 20 30 CGEDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1[O-] ZINC001237687155 819806109 /nfs/dbraw/zinc/80/61/09/819806109.db2.gz RTJQJPLHZFCNAX-GFCCVEGCSA-N 0 3 278.783 3.480 20 30 CGEDHN CN1CC=C(c2cc(C(F)(F)F)ccc2CC#N)CC1 ZINC001241330317 821736943 /nfs/dbraw/zinc/73/69/43/821736943.db2.gz PVJLACBQQWWYAL-UHFFFAOYSA-N 0 3 280.293 3.490 20 30 CGEDHN CN1CCC=C(c2ccccc2C2(C#N)CCC2)C1 ZINC001241569950 821954295 /nfs/dbraw/zinc/95/42/95/821954295.db2.gz DFHDTAGZNBVWLZ-UHFFFAOYSA-N 0 3 252.361 3.351 20 30 CGEDHN N#Cc1cc(-c2ccc([C@H]3CC[NH2+]C3)cc2)ccc1[O-] ZINC001242566538 823036561 /nfs/dbraw/zinc/03/65/61/823036561.db2.gz DTXQMEGFSJHZON-HNNXBMFYSA-N 0 3 264.328 3.008 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H](C)c1cncs1 ZINC001341520511 936440585 /nfs/dbraw/zinc/44/05/85/936440585.db2.gz FGPGOOWRSWULJD-QWHCGFSZSA-N 0 3 297.468 3.398 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC001342228417 936462549 /nfs/dbraw/zinc/46/25/49/936462549.db2.gz MQWPNYZPJQTVTE-CABCVRRESA-N 0 3 292.810 3.127 20 30 CGEDHN C[C@@H]1[C@@H](C(=O)C(C#N)c2nc(C3CC3)cs2)C1(F)F ZINC001343756740 936512987 /nfs/dbraw/zinc/51/29/87/936512987.db2.gz UJHXAGFBPKBDIF-YNEQXMIYSA-N 0 3 282.315 3.098 20 30 CGEDHN C[C@@H]1[C@@H](C(=O)C(C#N)c2nc(C3CC3)cs2)C1(F)F ZINC001343756737 936513152 /nfs/dbraw/zinc/51/31/52/936513152.db2.gz UJHXAGFBPKBDIF-PMVVWTBXSA-N 0 3 282.315 3.098 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC001344438074 936534635 /nfs/dbraw/zinc/53/46/35/936534635.db2.gz DNPCBNLIWGQDHB-DOTOQJQBSA-N 0 3 270.376 3.116 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCC=CCCC1 ZINC001345643280 936819014 /nfs/dbraw/zinc/81/90/14/936819014.db2.gz PKUFIXDVODNIAQ-KBPBESRZSA-N 0 3 271.364 3.216 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CC(C(C)(C)C)C1 ZINC001346097037 936838105 /nfs/dbraw/zinc/83/81/05/936838105.db2.gz WHCKOJVCIZIGGC-VQXHTEKXSA-N 0 3 293.798 3.322 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001349383924 936948132 /nfs/dbraw/zinc/94/81/32/936948132.db2.gz OIBOBEVBNJEVGN-CQSZACIVSA-N 0 3 278.440 3.064 20 30 CGEDHN N#CC1CCC(CN2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC001351183459 937010631 /nfs/dbraw/zinc/01/06/31/937010631.db2.gz IDCORFGLRWTIHR-CTWPCTMYSA-N 0 3 298.430 3.260 20 30 CGEDHN CC(C)c1cc([C@H]2CCCN(CCCC#N)C2)[nH]n1 ZINC001352942319 937054124 /nfs/dbraw/zinc/05/41/24/937054124.db2.gz XISWFTQWJDBIGQ-ZDUSSCGKSA-N 0 3 260.385 3.016 20 30 CGEDHN CC(C)c1cc([C@H]2CCCN(CCCC#N)C2)n[nH]1 ZINC001352942319 937054127 /nfs/dbraw/zinc/05/41/27/937054127.db2.gz XISWFTQWJDBIGQ-ZDUSSCGKSA-N 0 3 260.385 3.016 20 30 CGEDHN CC[C@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000721521613 926810828 /nfs/dbraw/zinc/81/08/28/926810828.db2.gz IMKGCBBCQQVUIE-INIZCTEOSA-N 0 3 251.333 3.194 20 30 CGEDHN C=CCN(CC)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001481004786 926856888 /nfs/dbraw/zinc/85/68/88/926856888.db2.gz ITWJGTSEJWAWPV-YOEHRIQHSA-N 0 3 280.456 3.073 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1ccc(C)cc1C)C1CC1 ZINC001481195303 926906236 /nfs/dbraw/zinc/90/62/36/926906236.db2.gz OSWFZYOEBNSRJF-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001482652897 927337891 /nfs/dbraw/zinc/33/78/91/927337891.db2.gz HVHYRDWCIHPDNR-KRWDZBQOSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCO[C@@H]1C ZINC001473118708 937164484 /nfs/dbraw/zinc/16/44/84/937164484.db2.gz QSRIXEPGSPINRE-KGLIPLIRSA-N 0 3 263.356 3.239 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)C/C=C\c1ccc(C)cc1 ZINC001483431372 927506478 /nfs/dbraw/zinc/50/64/78/927506478.db2.gz SMJQRRYLZGGGRG-MWWKQMNYSA-N 0 3 286.419 3.021 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NCc1csc(C)n1 ZINC001357346012 937170708 /nfs/dbraw/zinc/17/07/08/937170708.db2.gz GFWQYVHHAPJVCT-AWEZNQCLSA-N 0 3 297.468 3.146 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001483658116 927562036 /nfs/dbraw/zinc/56/20/36/927562036.db2.gz GLTRGVRXFPBXCD-DLBZAZTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001485057796 927800212 /nfs/dbraw/zinc/80/02/12/927800212.db2.gz ZWQLDQZBVOSSHZ-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN CNc1ccc(C)cc1CN1CCC[C@H](CC#N)C1 ZINC001474625272 937207803 /nfs/dbraw/zinc/20/78/03/937207803.db2.gz LKVFEISSZAUVEE-CQSZACIVSA-N 0 3 257.381 3.162 20 30 CGEDHN CC#CCN[C@H](C)CN(C)C(=O)C(CC(C)C)CC(C)C ZINC001485963263 927978879 /nfs/dbraw/zinc/97/88/79/927978879.db2.gz QDBIRUSYRAYOPI-MRXNPFEDSA-N 0 3 294.483 3.155 20 30 CGEDHN C[C@H](CCCC#N)NCc1nc(Br)cs1 ZINC001172484689 928221838 /nfs/dbraw/zinc/22/18/38/928221838.db2.gz BVATXFRISFUMSX-MRVPVSSYSA-N 0 3 288.214 3.078 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(CCCC)CC1 ZINC001488652504 928287146 /nfs/dbraw/zinc/28/71/46/928287146.db2.gz FUYQOYLPWVNGBE-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCCC1 ZINC001488675090 928290631 /nfs/dbraw/zinc/29/06/31/928290631.db2.gz FEPDGSPPXOGOPZ-DOTOQJQBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C(C)=C/CC)C1 ZINC001489224737 928319756 /nfs/dbraw/zinc/31/97/56/928319756.db2.gz JWQJDGFZYTUYTE-NRUITVPNSA-N 0 3 298.858 3.456 20 30 CGEDHN C=CC[C@H]1N(Cc2nn(C)cc2C)CCCC1(C)C ZINC001307728544 928515185 /nfs/dbraw/zinc/51/51/85/928515185.db2.gz DSDUBBGENUKVPP-OAHLLOKOSA-N 0 3 261.413 3.295 20 30 CGEDHN C=CCC[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001439848478 937322114 /nfs/dbraw/zinc/32/21/14/937322114.db2.gz SJYUYTVSTPBDQP-YOEHRIQHSA-N 0 3 296.430 3.156 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001453351617 937402225 /nfs/dbraw/zinc/40/22/25/937402225.db2.gz YWMDBDQSPZMZKT-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN CCC#C[C@H](C)N1CCC(Oc2ccc(OC)cc2)CC1 ZINC001459313488 937485558 /nfs/dbraw/zinc/48/55/58/937485558.db2.gz YTUHSVZBRROEKM-HNNXBMFYSA-N 0 3 287.403 3.340 20 30 CGEDHN CCS[C@H]1CC[C@@H](N(C)Cc2cc(C#N)ccn2)C1 ZINC001459554105 937491586 /nfs/dbraw/zinc/49/15/86/937491586.db2.gz AFZVVOZHPZOZPY-CABCVRRESA-N 0 3 275.421 3.059 20 30 CGEDHN C#C[C@H](C)N(C)CCSc1cccc(Cl)c1 ZINC001460026776 937511981 /nfs/dbraw/zinc/51/19/81/937511981.db2.gz CAVDTDRJZHYJJD-NSHDSACASA-N 0 3 253.798 3.386 20 30 CGEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)cc1Cl ZINC001460136519 937517135 /nfs/dbraw/zinc/51/71/35/937517135.db2.gz CNDXAMQTBMELKV-OAHLLOKOSA-N 0 3 291.826 3.128 20 30 CGEDHN COCC#CCN[C@H](C)c1cc2ccccc2c(OC)c1 ZINC001460896936 937551809 /nfs/dbraw/zinc/55/18/09/937551809.db2.gz QIHYTXIYSADOQV-CQSZACIVSA-N 0 3 283.371 3.149 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001157172713 931979820 /nfs/dbraw/zinc/97/98/20/931979820.db2.gz RXEXIZOKIVSHNJ-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001330068610 932034560 /nfs/dbraw/zinc/03/45/60/932034560.db2.gz BAYXOXDEWHMSFP-GOEBONIOSA-N 0 3 294.483 3.461 20 30 CGEDHN CCC1=C(Oc2cccc([C@@H](C)N(C)C)c2)C(=O)[C@@H](C)O1 ZINC001229628679 932181017 /nfs/dbraw/zinc/18/10/17/932181017.db2.gz WCOXPVLWHOFJTR-VXGBXAGGSA-N 0 3 289.375 3.297 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230604385 932596763 /nfs/dbraw/zinc/59/67/63/932596763.db2.gz YVAJZFUUCVSWJF-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230809527 932626567 /nfs/dbraw/zinc/62/65/67/932626567.db2.gz GESMLSCYNXNVMK-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848753 932630109 /nfs/dbraw/zinc/63/01/09/932630109.db2.gz KNXRDWWGVGFOPF-CABCVRRESA-N 0 3 298.496 3.017 20 30 CGEDHN COCC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001232843979 932683120 /nfs/dbraw/zinc/68/31/20/932683120.db2.gz JXCKOOSERSWYCT-GFCCVEGCSA-N 0 3 264.394 3.011 20 30 CGEDHN c1ccc2c(c1)NCCCC2=NN[C@H]1CCCSC1 ZINC001333670144 932760153 /nfs/dbraw/zinc/76/01/53/932760153.db2.gz MKWKAHWHMKLLLO-LBPRGKRZSA-N 0 3 275.421 3.082 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CC2CCC1CC2 ZINC001492133777 932808711 /nfs/dbraw/zinc/80/87/11/932808711.db2.gz RBZOKTIJAAPTIB-PPWQZUPISA-N 0 3 298.858 3.050 20 30 CGEDHN C=CC[C@@H]1N(Cc2cc(C(=O)OC)no2)CCCC1(C)C ZINC001307730194 932992399 /nfs/dbraw/zinc/99/23/99/932992399.db2.gz UYGMHAWUHNLFII-AWEZNQCLSA-N 0 3 292.379 3.028 20 30 CGEDHN C#C[C@H](C)NCc1ccnc2c(Br)cccc12 ZINC001308754523 933171295 /nfs/dbraw/zinc/17/12/95/933171295.db2.gz IHWNTPMOTUJKBB-JTQLQIEISA-N 0 3 289.176 3.109 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@@H]1CSc2ccccc2O1 ZINC001308837198 933186835 /nfs/dbraw/zinc/18/68/35/933186835.db2.gz YFMRWSMFKQVMOG-MRXNPFEDSA-N 0 3 295.407 3.181 20 30 CGEDHN CCCCCCCN1CCC[C@H](NC(=O)c2ccco2)C1 ZINC001316937902 933460921 /nfs/dbraw/zinc/46/09/21/933460921.db2.gz OOFWCTPKFGWFCO-HNNXBMFYSA-N 0 3 292.423 3.444 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001316933900 933497347 /nfs/dbraw/zinc/49/73/47/933497347.db2.gz QJMVDJXDOAWFCT-LSDHHAIUSA-N 0 3 294.483 3.414 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001316933899 933498096 /nfs/dbraw/zinc/49/80/96/933498096.db2.gz QJMVDJXDOAWFCT-HUUCEWRRSA-N 0 3 294.483 3.414 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](CC)CCCCCC)C1 ZINC001317061914 933523776 /nfs/dbraw/zinc/52/37/76/933523776.db2.gz OZIPMTSERMFXGX-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@]1(C)C=CCC1)c1ccccc1 ZINC001317721450 933638711 /nfs/dbraw/zinc/63/87/11/933638711.db2.gz GIJNQYVLOLXFJY-HKUYNNGSSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(CC)CC ZINC001318203961 933694487 /nfs/dbraw/zinc/69/44/87/933694487.db2.gz BWUNDXNCWPBBEJ-PVAVHDDUSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCC2CCCCC2)C1 ZINC001318366874 933713398 /nfs/dbraw/zinc/71/33/98/933713398.db2.gz IUZFWVBENNOQAZ-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(Cl)CNC[C@]1(NC(=O)C=C(C)C)CCCC[C@H]1C ZINC001318738990 933770368 /nfs/dbraw/zinc/77/03/68/933770368.db2.gz AFRVYDBXLNTJBB-CZUORRHYSA-N 0 3 298.858 3.360 20 30 CGEDHN CS[C@@H]1CC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC001319462783 933881431 /nfs/dbraw/zinc/88/14/31/933881431.db2.gz LZFJEAKTEFXLQR-JKSUJKDBSA-N 0 3 277.408 3.393 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC001320086645 933994973 /nfs/dbraw/zinc/99/49/73/933994973.db2.gz NSJKSAYRQYYUBE-INIZCTEOSA-N 0 3 287.403 3.177 20 30 CGEDHN C#CCN(Cc1ccc(OCC)c(OCC)c1)CC1CC1 ZINC001320521792 934058708 /nfs/dbraw/zinc/05/87/08/934058708.db2.gz CECXANMQNVEZKQ-UHFFFAOYSA-N 0 3 287.403 3.329 20 30 CGEDHN C[NH+](C)[C@@H]1CCCC[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC001321695658 934204847 /nfs/dbraw/zinc/20/48/47/934204847.db2.gz TYELRMUAIUMLKL-OPABCWLPSA-N 0 3 280.799 3.337 20 30 CGEDHN C=CCCCCCCCCNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001470384013 937752105 /nfs/dbraw/zinc/75/21/05/937752105.db2.gz DIINUKCQGVBXBD-CVEARBPZSA-N 0 3 295.471 3.295 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001323199234 934372636 /nfs/dbraw/zinc/37/26/36/934372636.db2.gz ORYBNKLOKKKALD-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001323354866 934387912 /nfs/dbraw/zinc/38/79/12/934387912.db2.gz CKAOTIDCHFGVOK-UPTPFMHGSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC001324022245 934450579 /nfs/dbraw/zinc/45/05/79/934450579.db2.gz PLPVCVBXWWOYGA-DYVFJYSZSA-N 0 3 259.393 3.417 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCCCCC)C1 ZINC001324670017 934546474 /nfs/dbraw/zinc/54/64/74/934546474.db2.gz UKVITCGQQNSTSA-MRXNPFEDSA-N 0 3 266.429 3.114 20 30 CGEDHN N#Cc1ccc(CN(C[C@H]2CC[C@H](C3CC3)O2)C2CC2)cc1 ZINC001473304934 937801361 /nfs/dbraw/zinc/80/13/61/937801361.db2.gz TYHYNDMFDDCIMP-RTBURBONSA-N 0 3 296.414 3.480 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@H](F)CC ZINC001325895188 934937922 /nfs/dbraw/zinc/93/79/22/934937922.db2.gz DHAMHKULPPOMBQ-OAGGEKHMSA-N 0 3 296.430 3.156 20 30 CGEDHN CC(C)C[C@@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC001473640728 937815392 /nfs/dbraw/zinc/81/53/92/937815392.db2.gz HCHJCFXKCWTFRY-CYBMUJFWSA-N 0 3 277.437 3.176 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(C)c(Cl)cc1C ZINC001329501111 935220984 /nfs/dbraw/zinc/22/09/84/935220984.db2.gz OKWCZTSYVDXWAH-ZDUSSCGKSA-N 0 3 294.826 3.193 20 30 CGEDHN C=CCN(C)CCN(C(=O)C[C@H](C)c1ccco1)C(C)C ZINC001332736073 935486147 /nfs/dbraw/zinc/48/61/47/935486147.db2.gz VLFZLNXGKRWZIH-HNNXBMFYSA-N 0 3 292.423 3.128 20 30 CGEDHN CC[C@](C)(NCc1cncc(C#N)c1)c1ccccc1 ZINC001333176372 935516185 /nfs/dbraw/zinc/51/61/85/935516185.db2.gz VZKOSFMHIJXZHA-KRWDZBQOSA-N 0 3 265.360 3.368 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cnc3ccccc3c2)C1 ZINC001337727825 936284384 /nfs/dbraw/zinc/28/43/84/936284384.db2.gz JAQUFKMSCFLVRD-MRXNPFEDSA-N 0 3 268.360 3.012 20 30 CGEDHN COCC#CCN1CCC(CC2CCCCC2)CC1 ZINC001473836648 937823981 /nfs/dbraw/zinc/82/39/81/937823981.db2.gz CMVXCZYUMBJWJI-UHFFFAOYSA-N 0 3 263.425 3.319 20 30 CGEDHN CCC#C[C@H](C)N1CCCN(c2ccccc2OC)CC1 ZINC001473878644 937826676 /nfs/dbraw/zinc/82/66/76/937826676.db2.gz VGKAUDLBPULZRZ-INIZCTEOSA-N 0 3 286.419 3.009 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1nccc2ccccc21)C1CCOCC1 ZINC001474636968 937872114 /nfs/dbraw/zinc/87/21/14/937872114.db2.gz SKROBBRCAZYQJK-KSSFIOAISA-N 0 3 294.398 3.314 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(C2CCC2)CCC1 ZINC001479233854 937917713 /nfs/dbraw/zinc/91/77/13/937917713.db2.gz KUXPXCOBAGNKBD-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN CCCCCCCCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001479378607 937920481 /nfs/dbraw/zinc/92/04/81/937920481.db2.gz ZETLYVXYRMROPW-HZPDHXFCSA-N 0 3 297.487 3.471 20 30 CGEDHN C=CCCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001480106994 937932321 /nfs/dbraw/zinc/93/23/21/937932321.db2.gz WEKRBNVPQRCXPZ-KBPBESRZSA-N 0 3 290.382 3.043 20 30 CGEDHN C=CCN[C@H](CNC(=O)C1(CC)CCC1)c1ccccc1 ZINC001493896433 937951857 /nfs/dbraw/zinc/95/18/57/937951857.db2.gz MDRWLBILSBTOEB-MRXNPFEDSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@H](C)C2)CCCC1 ZINC001495949847 937960743 /nfs/dbraw/zinc/96/07/43/937960743.db2.gz SQPRZRILVXJYCR-GXTWGEPZSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccccc1C)C(C)C ZINC001496517873 937962873 /nfs/dbraw/zinc/96/28/73/937962873.db2.gz DWZCVRUHSBTUHE-HNNXBMFYSA-N 0 3 294.826 3.092 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[C@H]1CCC ZINC001496734468 937964061 /nfs/dbraw/zinc/96/40/61/937964061.db2.gz SRPLPEXJFXEXLG-CVEARBPZSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(CC)CCCC1 ZINC001497301483 937965522 /nfs/dbraw/zinc/96/55/22/937965522.db2.gz RDTYLOOIZUQBLL-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)CCCC1CCCC1 ZINC001499132483 937972366 /nfs/dbraw/zinc/97/23/66/937972366.db2.gz RTYJAGHMHABYEN-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](CC)CCCC)CC1 ZINC001499967793 937975351 /nfs/dbraw/zinc/97/53/51/937975351.db2.gz SSNJMSMSVNGYBT-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001501604602 937979917 /nfs/dbraw/zinc/97/99/17/937979917.db2.gz UYCZLLMXRKMNLF-HNNXBMFYSA-N 0 3 298.858 3.314 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c(C)coc1C ZINC001506919671 937992643 /nfs/dbraw/zinc/99/26/43/937992643.db2.gz ZZPYLCOZJACXTE-LBPRGKRZSA-N 0 3 298.814 3.137 20 30 CGEDHN C=CCC(C)(C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001518068169 938014102 /nfs/dbraw/zinc/01/41/02/938014102.db2.gz ZYVOCFIHSYYIIE-SNVBAGLBSA-N 0 3 264.275 3.138 20 30 CGEDHN C=C(CC(C)C)C(=O)Nc1ccccc1CN(C)C ZINC001521458152 938032180 /nfs/dbraw/zinc/03/21/80/938032180.db2.gz FRJPRWSMQHIHKM-UHFFFAOYSA-N 0 3 260.381 3.289 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001521872328 938034932 /nfs/dbraw/zinc/03/49/32/938034932.db2.gz PXUAAGYKYZVNHV-QMTHXVAHSA-N 0 3 298.789 3.340 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001524268915 938043453 /nfs/dbraw/zinc/04/34/53/938043453.db2.gz YHAQURNZAOHTFB-URZJAHPPSA-N 0 3 297.402 3.203 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001526587267 938056424 /nfs/dbraw/zinc/05/64/24/938056424.db2.gz MNIOXVVXIDZGRN-IJLUTSLNSA-N 0 3 291.782 3.076 20 30 CGEDHN CCCCCCC[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001543390686 938139148 /nfs/dbraw/zinc/13/91/48/938139148.db2.gz AJBFMXJYWBQDLJ-CYBMUJFWSA-N 0 3 279.428 3.373 20 30 CGEDHN C#CCN(C[C@@H]1CC(C)(C)CO1)[C@@H]1CCc2ccccc21 ZINC001559499441 938227662 /nfs/dbraw/zinc/22/76/62/938227662.db2.gz UITPGBTWJJMBDD-FUHWJXTLSA-N 0 3 283.415 3.424 20 30 CGEDHN CCC#C[C@H](C)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001559530513 938228507 /nfs/dbraw/zinc/22/85/07/938228507.db2.gz BRKIYRCEMKWUMY-KRWDZBQOSA-N 0 3 284.447 3.385 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1sccc1Cl ZINC001559796608 938236063 /nfs/dbraw/zinc/23/60/63/938236063.db2.gz PUROXIFCJNCTNT-UHFFFAOYSA-N 0 3 272.845 3.341 20 30 CGEDHN CC/C=C/CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001560077392 938243300 /nfs/dbraw/zinc/24/33/00/938243300.db2.gz JXDAJDCOMMHYMB-ONEGZZNKSA-N 0 3 269.392 3.037 20 30 CGEDHN CN(CC#Cc1ccc(F)cc1)C[C@]12CCC[C@H]1OCC2 ZINC001560235169 938248572 /nfs/dbraw/zinc/24/85/72/938248572.db2.gz BIRLYJKONQSUDB-QZTJIDSGSA-N 0 3 287.378 3.068 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(O)c1 ZINC001560310356 938252565 /nfs/dbraw/zinc/25/25/65/938252565.db2.gz RPNAWYZTRUYVLD-UHFFFAOYSA-N 0 3 266.344 3.171 20 30 CGEDHN COc1nsc(CNCC(C)(C)CCC#N)c1Cl ZINC001560492844 938260283 /nfs/dbraw/zinc/26/02/83/938260283.db2.gz JDDWSPAUVORCCP-UHFFFAOYSA-N 0 3 287.816 3.225 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC001574851854 960470994 /nfs/dbraw/zinc/47/09/94/960470994.db2.gz LTYUESATELIEDC-GFCCVEGCSA-N 0 3 286.847 3.177 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)CCCCC)[C@H]1C ZINC001566106005 960880804 /nfs/dbraw/zinc/88/08/04/960880804.db2.gz ZREJDPFXHSJVTL-XHSDSOJGSA-N 0 3 280.456 3.358 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccoc2)C1 ZINC001566618530 960972234 /nfs/dbraw/zinc/97/22/34/960972234.db2.gz YQFRSWHHWYHFCC-MRXNPFEDSA-N 0 3 292.423 3.444 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001566682589 960988667 /nfs/dbraw/zinc/98/86/67/960988667.db2.gz FAUKEJDNIMWUSA-KRWDZBQOSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](F)CC)CC1 ZINC001566700066 960990139 /nfs/dbraw/zinc/99/01/39/960990139.db2.gz QACKKPQMCOVUIM-OAHLLOKOSA-N 0 3 284.419 3.014 20 30 CGEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@H](CC)CCCC)C1 ZINC001567406797 961319144 /nfs/dbraw/zinc/31/91/44/961319144.db2.gz XBVGWYVLNUFRTM-SJORKVTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)CCC1CCCCC1 ZINC001567391466 961328831 /nfs/dbraw/zinc/32/88/31/961328831.db2.gz PMHFOBKFOUHTLQ-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)cc(F)cc1C ZINC001568553946 961613104 /nfs/dbraw/zinc/61/31/04/961613104.db2.gz DLVZSEJZCARODI-UHFFFAOYSA-N 0 3 292.398 3.022 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H](C)CCNCC(=C)Cl)cc1 ZINC001568680628 961631989 /nfs/dbraw/zinc/63/19/89/961631989.db2.gz AYVAWOBPWLTJRR-CYBMUJFWSA-N 0 3 292.810 3.180 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCC(=C)C ZINC001570027174 961880339 /nfs/dbraw/zinc/88/03/39/961880339.db2.gz YTKWHVRYFPZJDZ-UHFFFAOYSA-N 0 3 286.419 3.277 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001570537714 961988759 /nfs/dbraw/zinc/98/87/59/961988759.db2.gz FYHPTDJQUMRMOE-SJORKVTESA-N 0 3 292.467 3.478 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](CC)CCC)C1 ZINC001571663767 962213764 /nfs/dbraw/zinc/21/37/64/962213764.db2.gz FWWOBQUKAJNFPS-HSBZDZAISA-N 0 3 286.847 3.144 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1c(C)cccc1OC(F)F ZINC001574908306 962329204 /nfs/dbraw/zinc/32/92/04/962329204.db2.gz JNUWNSRGOCPUBP-LLVKDONJSA-N 0 3 298.333 3.219 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC001574908447 962333897 /nfs/dbraw/zinc/33/38/97/962333897.db2.gz OELOJZUBCNOTGW-CVEARBPZSA-N 0 3 290.382 3.003 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NC1(C)CC(F)(F)C1 ZINC001577430173 962542362 /nfs/dbraw/zinc/54/23/62/962542362.db2.gz SHWHZDIRDUJBOD-GFCCVEGCSA-N 0 3 290.398 3.368 20 30 CGEDHN C=CCC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001584635967 962945366 /nfs/dbraw/zinc/94/53/66/962945366.db2.gz RBJIEEREXGPBMF-OAHLLOKOSA-N 0 3 278.440 3.256 20 30 CGEDHN C=C(CC)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001587521051 963201338 /nfs/dbraw/zinc/20/13/38/963201338.db2.gz XXGHODLHOSTUKV-KRWDZBQOSA-N 0 3 286.419 3.124 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCC[C@H]2OC(F)F)c1F ZINC000337428468 214075613 /nfs/dbraw/zinc/07/56/13/214075613.db2.gz UCZFMJIEDKUVOQ-QWHCGFSZSA-N 0 3 298.308 3.337 20 30 CGEDHN Cc1cc([C@H](C)NCCOc2ccc(C#N)cc2)oc1C ZINC000337485845 214113826 /nfs/dbraw/zinc/11/38/26/214113826.db2.gz SKDPOEOVSZGTQQ-ZDUSSCGKSA-N 0 3 284.359 3.498 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc[nH]c(=O)c1 ZINC000590259525 346838588 /nfs/dbraw/zinc/83/85/88/346838588.db2.gz CZXJCORWNFBNOR-PXAZEXFGSA-N 0 3 293.370 3.387 20 30 CGEDHN Cc1cnccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000590653788 346859420 /nfs/dbraw/zinc/85/94/20/346859420.db2.gz UQMYJOLXXGMZSY-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2ncnn2-c2ccccc2)C1 ZINC000651787700 398288828 /nfs/dbraw/zinc/28/88/28/398288828.db2.gz CCYMAZBRVNJOIC-CABCVRRESA-N 0 3 282.391 3.102 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2csc(COC)n2)C1 ZINC000651813935 398291276 /nfs/dbraw/zinc/29/12/76/398291276.db2.gz DDJCKEGLGPCMCZ-NWDGAFQWSA-N 0 3 266.410 3.124 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1)C(C)C ZINC000096982313 185148387 /nfs/dbraw/zinc/14/83/87/185148387.db2.gz NWDLZLLAGOWLAO-GOSISDBHSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)C(=O)Nc2cccnc2C)C1 ZINC000651827435 398294820 /nfs/dbraw/zinc/29/48/20/398294820.db2.gz DDYQBRSEJHGBQI-ZNMIVQPWSA-N 0 3 287.407 3.051 20 30 CGEDHN C=C[C@@H](C)N[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652159641 398326312 /nfs/dbraw/zinc/32/63/12/398326312.db2.gz CQHPFRVKQBLMSH-YPMHNXCESA-N 0 3 279.380 3.328 20 30 CGEDHN CCOC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000591011803 346894166 /nfs/dbraw/zinc/89/41/66/346894166.db2.gz GEAMCZRZKUCRFP-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN Cc1cc(C#N)ccc1CN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000591045373 346897399 /nfs/dbraw/zinc/89/73/99/346897399.db2.gz VCZYSTPGJFIBCS-MOPGFXCFSA-N 0 3 292.382 3.175 20 30 CGEDHN N#Cc1ccccc1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000349790864 136377509 /nfs/dbraw/zinc/37/75/09/136377509.db2.gz OENDAAIOHHRZRX-INIZCTEOSA-N 0 3 281.403 3.037 20 30 CGEDHN C=C(C)CCNCc1ccc(F)c(F)c1N(C)C ZINC000623538460 349829228 /nfs/dbraw/zinc/82/92/28/349829228.db2.gz FJSBBZXZGUTBRC-UHFFFAOYSA-N 0 3 254.324 3.087 20 30 CGEDHN COc1cncc(/C=C\CCN(CCC#N)CC2CC2)c1 ZINC000592072143 346960644 /nfs/dbraw/zinc/96/06/44/346960644.db2.gz XKRSUFPRFLQATG-DJWKRKHSSA-N 0 3 285.391 3.119 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)[C@H]1CCC[C@@H](C)C1 ZINC000592127092 346965032 /nfs/dbraw/zinc/96/50/32/346965032.db2.gz UDGQAMLEEIHTBH-RDBSUJKOSA-N 0 3 257.381 3.258 20 30 CGEDHN C[C@H]1CN(CCCC(C)(C)C#N)CC2(CCCC2)O1 ZINC000592195170 346971110 /nfs/dbraw/zinc/97/11/10/346971110.db2.gz RCUDRKLOLTVLRP-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN N#Cc1ccc(CNCC2CCC(F)CC2)c(F)c1 ZINC000592376810 346980163 /nfs/dbraw/zinc/98/01/63/346980163.db2.gz GUHYJSGNSXIEFF-UHFFFAOYSA-N 0 3 264.319 3.315 20 30 CGEDHN C[C@H]1CC2(CN1Cc1ccc(C#N)s1)CCOCC2 ZINC000592526015 346996521 /nfs/dbraw/zinc/99/65/21/346996521.db2.gz FGVZPTFTPJVZOA-LBPRGKRZSA-N 0 3 276.405 3.011 20 30 CGEDHN CN(C)CCOc1ccc(-c2ccc(C#N)s2)cc1 ZINC000592987775 347023897 /nfs/dbraw/zinc/02/38/97/347023897.db2.gz BNCOCYYTVKUALQ-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000593025871 347029200 /nfs/dbraw/zinc/02/92/00/347029200.db2.gz UECDKDWVQCQZJY-JMSVASOKSA-N 0 3 287.363 3.381 20 30 CGEDHN N#Cc1cccc(OCCCN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593119363 347042162 /nfs/dbraw/zinc/04/21/62/347042162.db2.gz WJRHLWGUUKWGFK-HNNXBMFYSA-N 0 3 292.329 3.058 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593118707 347042320 /nfs/dbraw/zinc/04/23/20/347042320.db2.gz RJMIJANRAGDWCN-SMDDNHRTSA-N 0 3 262.303 3.350 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1CCCCC1 ZINC000043999882 345005539 /nfs/dbraw/zinc/00/55/39/345005539.db2.gz GISZKQZZGORWCB-AWEZNQCLSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C)[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000063618549 345250611 /nfs/dbraw/zinc/25/06/11/345250611.db2.gz MZKADWVWWDKOBY-KRWDZBQOSA-N 0 3 299.418 3.054 20 30 CGEDHN COc1cccc(CN(C)CCOc2ccccc2C#N)c1 ZINC000060463513 345216903 /nfs/dbraw/zinc/21/69/03/345216903.db2.gz NNPCIFWQRISWOS-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](OC)C(C)C)cc1OC ZINC000072924577 345421919 /nfs/dbraw/zinc/42/19/19/345421919.db2.gz JOLZDYCYZHBRKD-QGZVFWFLSA-N 0 3 293.407 3.021 20 30 CGEDHN N#CCCCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000070945723 345399343 /nfs/dbraw/zinc/39/93/43/345399343.db2.gz JNVFOVJZEGHYSA-JXMROGBWSA-N 0 3 283.419 3.011 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000091511009 345817774 /nfs/dbraw/zinc/81/77/74/345817774.db2.gz RDFSHAIHKYAEFM-AWEZNQCLSA-N 0 3 291.439 3.154 20 30 CGEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1snc(Cl)c1C#N ZINC000092622002 345847265 /nfs/dbraw/zinc/84/72/65/345847265.db2.gz TZLGPOAGFCGWLP-NXEZZACHSA-N 0 3 298.843 3.200 20 30 CGEDHN CCN(CC)CCSc1snc(Cl)c1C#N ZINC000092658305 345850488 /nfs/dbraw/zinc/85/04/88/345850488.db2.gz IWBJYLBEEFMSOA-UHFFFAOYSA-N 0 3 275.830 3.102 20 30 CGEDHN C[C@@H](CN(C)Cc1ccc(C#N)o1)c1ccccc1 ZINC000093008916 345866075 /nfs/dbraw/zinc/86/60/75/345866075.db2.gz YPPHWNGOYAWVDB-ZDUSSCGKSA-N 0 3 254.333 3.387 20 30 CGEDHN C[C@H](CN(C)Cc1ccc(C#N)o1)c1ccccc1 ZINC000093008918 345866168 /nfs/dbraw/zinc/86/61/68/345866168.db2.gz YPPHWNGOYAWVDB-CYBMUJFWSA-N 0 3 254.333 3.387 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000093335596 345875581 /nfs/dbraw/zinc/87/55/81/345875581.db2.gz RITHWPNGPRAANX-CYBMUJFWSA-N 0 3 270.307 3.280 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCc2ccccc2C1 ZINC000165431962 346184126 /nfs/dbraw/zinc/18/41/26/346184126.db2.gz VDSWXBOTQUMFMO-UHFFFAOYSA-N 0 3 262.356 3.425 20 30 CGEDHN Cc1ccccc1O[C@@H](C)CNCc1cccc(C#N)c1 ZINC000174590709 346244227 /nfs/dbraw/zinc/24/42/27/346244227.db2.gz CQTXAQHFOORJPX-HNNXBMFYSA-N 0 3 280.371 3.424 20 30 CGEDHN C=CCSCCNCc1ccc(OCCC)cc1 ZINC000222064213 346298324 /nfs/dbraw/zinc/29/83/24/346298324.db2.gz QQJGOKHOZFWYIC-UHFFFAOYSA-N 0 3 265.422 3.484 20 30 CGEDHN C=C(C)CCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000282518967 346419370 /nfs/dbraw/zinc/41/93/70/346419370.db2.gz PJYOUFOLYHJJCC-KRWDZBQOSA-N 0 3 282.387 3.145 20 30 CGEDHN C=CCCN(C)Cc1cccc(OC)c1OC(C)C ZINC000343480055 346506034 /nfs/dbraw/zinc/50/60/34/346506034.db2.gz YMMVVQFAKVJNJV-UHFFFAOYSA-N 0 3 263.381 3.490 20 30 CGEDHN N#CCC[C@H](C#N)CNCCCc1c[nH]c2ccc(F)cc12 ZINC000558573419 346657343 /nfs/dbraw/zinc/65/73/43/346657343.db2.gz IKJMYRAUDSUFAE-CYBMUJFWSA-N 0 3 298.365 3.273 20 30 CGEDHN C[C@@H]1CC[C@]2(CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000584722475 346710254 /nfs/dbraw/zinc/71/02/54/346710254.db2.gz NZSRLNLORLGYHL-DYVFJYSZSA-N 0 3 299.374 3.479 20 30 CGEDHN Cc1cccnc1C(C)(C)CNCc1ccc(C#N)s1 ZINC000589326510 346793604 /nfs/dbraw/zinc/79/36/04/346793604.db2.gz NJDGYOHRTWNYBT-UHFFFAOYSA-N 0 3 285.416 3.391 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594027612 347139574 /nfs/dbraw/zinc/13/95/74/347139574.db2.gz XIBXBJBIJUZOLF-QGZVFWFLSA-N 0 3 270.376 3.092 20 30 CGEDHN Cc1noc(C)c1CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033719 347141127 /nfs/dbraw/zinc/14/11/27/347141127.db2.gz ZRGUCXZQQAHECW-UHFFFAOYSA-N 0 3 295.386 3.375 20 30 CGEDHN N#Cc1c(F)cccc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594604114 347200721 /nfs/dbraw/zinc/20/07/21/347200721.db2.gz YOKALNZERDNBQQ-CVEARBPZSA-N 0 3 273.355 3.126 20 30 CGEDHN CC(C#N)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000594400594 347172553 /nfs/dbraw/zinc/17/25/53/347172553.db2.gz ZKAYYIVHUIVRJK-VIFPVBQESA-N 0 3 285.174 3.202 20 30 CGEDHN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594427275 347174090 /nfs/dbraw/zinc/17/40/90/347174090.db2.gz HSXCSRJOSSGCJO-IRXDYDNUSA-N 0 3 299.418 3.070 20 30 CGEDHN CCC1(CC)CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594438432 347174545 /nfs/dbraw/zinc/17/45/45/347174545.db2.gz VANFRYZIZOKVJB-HNNXBMFYSA-N 0 3 293.455 3.263 20 30 CGEDHN CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594443447 347174735 /nfs/dbraw/zinc/17/47/35/347174735.db2.gz HTWRFXROAKKOIJ-HOTGVXAUSA-N 0 3 293.455 3.215 20 30 CGEDHN CC1(C)[C@@H](CNCc2ccc(C#N)c(F)c2)C1(F)F ZINC000594992758 347251470 /nfs/dbraw/zinc/25/14/70/347251470.db2.gz XCVBNTRIISNUAB-GFCCVEGCSA-N 0 3 268.282 3.078 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)c(C)c1)C1CCCC1 ZINC000594995548 347252044 /nfs/dbraw/zinc/25/20/44/347252044.db2.gz RYVLAAGYJRRZTR-KRWDZBQOSA-N 0 3 272.392 3.162 20 30 CGEDHN Cc1cc(CNC[C@@H](O)[C@@H](C)c2ccccc2)ccc1C#N ZINC000595000543 347253099 /nfs/dbraw/zinc/25/30/99/347253099.db2.gz LAWROXLRYUVTGD-HNAYVOBHSA-N 0 3 294.398 3.121 20 30 CGEDHN CO[C@@H]1CCC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594981127 347247992 /nfs/dbraw/zinc/24/79/92/347247992.db2.gz HHQZEEOQSMOUDO-ZIAGYGMSSA-N 0 3 250.386 3.008 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019430 347258831 /nfs/dbraw/zinc/25/88/31/347258831.db2.gz NFUGOPWUMHXUHZ-MNOVXSKESA-N 0 3 264.325 3.219 20 30 CGEDHN C=CCCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595055164 347271140 /nfs/dbraw/zinc/27/11/40/347271140.db2.gz UOKBQLVPOPVUJS-LLVKDONJSA-N 0 3 264.325 3.220 20 30 CGEDHN CC[C@H](COCC1CC1)N[C@H](C)c1ccc(C#N)cc1 ZINC000595056164 347271771 /nfs/dbraw/zinc/27/17/71/347271771.db2.gz BNHDZXQBWYJLAQ-CXAGYDPISA-N 0 3 272.392 3.414 20 30 CGEDHN CC[C@H](NCCO[C@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000595069633 347276607 /nfs/dbraw/zinc/27/66/07/347276607.db2.gz OQUQSJLOMWHQEG-KBPBESRZSA-N 0 3 280.318 3.023 20 30 CGEDHN C[C@@H](COc1c(F)cccc1F)N[C@@H]1CC[C@H](C#N)C1 ZINC000595071883 347276769 /nfs/dbraw/zinc/27/67/69/347276769.db2.gz CEJDQGLEJRAXPF-SDDRHHMPSA-N 0 3 280.318 3.014 20 30 CGEDHN CC1(C)C[C@H](NCC2(C#N)CCCCC2)C(C)(C)O1 ZINC000595090192 347280325 /nfs/dbraw/zinc/28/03/25/347280325.db2.gz FKGRBASXEWUDSI-ZDUSSCGKSA-N 0 3 264.413 3.396 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1occc1C(=O)OC ZINC000595605405 347325572 /nfs/dbraw/zinc/32/55/72/347325572.db2.gz XVIRBSBGYALGNH-TZMCWYRMSA-N 0 3 277.364 3.291 20 30 CGEDHN CC(C)(C)OCCNC(C)(C)c1cccc(C#N)c1 ZINC000595639484 347331272 /nfs/dbraw/zinc/33/12/72/347331272.db2.gz JNGBANVPBZGYLS-UHFFFAOYSA-N 0 3 260.381 3.198 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)OCC)cn2)C1 ZINC000595660150 347334093 /nfs/dbraw/zinc/33/40/93/347334093.db2.gz RGQAYGUBDOWKMX-AWEZNQCLSA-N 0 3 288.391 3.046 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC000595659069 347334304 /nfs/dbraw/zinc/33/43/04/347334304.db2.gz JEXDURSXMLWQAO-ZDUSSCGKSA-N 0 3 277.364 3.163 20 30 CGEDHN C=CCC1(NCc2cc(C(=O)OC)co2)CCCC1 ZINC000595780495 347355442 /nfs/dbraw/zinc/35/54/42/347355442.db2.gz SXYUJLWCPATWHU-UHFFFAOYSA-N 0 3 263.337 3.045 20 30 CGEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCc1ccc(C#N)cc1 ZINC000595467508 347307691 /nfs/dbraw/zinc/30/76/91/347307691.db2.gz HMWQNLSZNTYWHX-BXUZGUMPSA-N 0 3 282.309 3.373 20 30 CGEDHN CO[C@H](CNC1(c2ccc(C#N)cc2)CCC1)C1CCC1 ZINC000595562056 347319708 /nfs/dbraw/zinc/31/97/08/347319708.db2.gz MEMALMPHOYJNSW-QGZVFWFLSA-N 0 3 284.403 3.342 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ccon2)CC1 ZINC000595829489 347361805 /nfs/dbraw/zinc/36/18/05/347361805.db2.gz UQTWWWHVGSHVKS-CYBMUJFWSA-N 0 3 281.359 3.487 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C(=O)OC ZINC000595845311 347367377 /nfs/dbraw/zinc/36/73/77/347367377.db2.gz LCVKRMVUGZHUAG-GASCZTMLSA-N 0 3 271.360 3.156 20 30 CGEDHN CCN(CCOc1ccccc1OC)CCC(C)(C)C#N ZINC000595887071 347369795 /nfs/dbraw/zinc/36/97/95/347369795.db2.gz MKCMRAHZEXCNBN-UHFFFAOYSA-N 0 3 290.407 3.336 20 30 CGEDHN N#CCCCN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000595878079 347369968 /nfs/dbraw/zinc/36/99/68/347369968.db2.gz KDQAECCKDRWMLH-UHFFFAOYSA-N 0 3 268.360 3.231 20 30 CGEDHN COCC1(NCc2cc(C#N)cs2)CCCCC1 ZINC000596057006 347378041 /nfs/dbraw/zinc/37/80/41/347378041.db2.gz FHLVHQPEKAURNE-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN C[C@H](CC#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000596787963 347511318 /nfs/dbraw/zinc/51/13/18/347511318.db2.gz JIJVBHQEMMSYHD-CQSZACIVSA-N 0 3 285.391 3.161 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012964 347527527 /nfs/dbraw/zinc/52/75/27/347527527.db2.gz GDQYZOOWYSFSCV-HZPDHXFCSA-N 0 3 297.446 3.156 20 30 CGEDHN C[C@H]1CSCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597010754 347527798 /nfs/dbraw/zinc/52/77/98/347527798.db2.gz QTTBQJPWZFBVTP-ZDUSSCGKSA-N 0 3 272.417 3.179 20 30 CGEDHN CC1=CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597009523 347527860 /nfs/dbraw/zinc/52/78/60/347527860.db2.gz SVUJUJIRTBVEEO-UHFFFAOYSA-N 0 3 252.361 3.394 20 30 CGEDHN CN(CC1=CCSC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597246841 347562219 /nfs/dbraw/zinc/56/22/19/347562219.db2.gz UTQMJTWMIGYQLJ-UHFFFAOYSA-N 0 3 284.428 3.347 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cscn1 ZINC000598014471 347617511 /nfs/dbraw/zinc/61/75/11/347617511.db2.gz GRKZLSOXJMSWHQ-TZMCWYRMSA-N 0 3 299.399 3.093 20 30 CGEDHN Cc1cccc2c1C[C@H](NCc1ccc(C#N)cc1F)CO2 ZINC000598987707 347704341 /nfs/dbraw/zinc/70/43/41/347704341.db2.gz UKURLZAVYKFILO-HNNXBMFYSA-N 0 3 296.345 3.099 20 30 CGEDHN C[C@H](c1ccc(F)cc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598584308 347666219 /nfs/dbraw/zinc/66/62/19/347666219.db2.gz GFHJHVUYZJPXIF-DOMZBBRYSA-N 0 3 278.371 3.119 20 30 CGEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598586094 347666795 /nfs/dbraw/zinc/66/67/95/347666795.db2.gz COLUIYMSCXYOJI-WCQYABFASA-N 0 3 296.361 3.258 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000598587757 347667659 /nfs/dbraw/zinc/66/76/59/347667659.db2.gz VMIRJWHGUIICRL-HOTGVXAUSA-N 0 3 290.382 3.263 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccsc1 ZINC000598588600 347667831 /nfs/dbraw/zinc/66/78/31/347667831.db2.gz JQNIMVJMMUIGRD-KGLIPLIRSA-N 0 3 278.421 3.186 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccsc1 ZINC000598588601 347667905 /nfs/dbraw/zinc/66/79/05/347667905.db2.gz JQNIMVJMMUIGRD-UONOGXRCSA-N 0 3 278.421 3.186 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000598603486 347670592 /nfs/dbraw/zinc/67/05/92/347670592.db2.gz UNSFJTHVIPQAPC-GFCCVEGCSA-N 0 3 296.361 3.090 20 30 CGEDHN C[C@]12CCCC[C@H]1CN2Cc1ccc(F)c(C#N)c1 ZINC000599674366 347764186 /nfs/dbraw/zinc/76/41/86/347764186.db2.gz DXEGVPSQDRLVCR-HOCLYGCPSA-N 0 3 258.340 3.462 20 30 CGEDHN CC1(C)CC[C@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000599678471 347765208 /nfs/dbraw/zinc/76/52/08/347765208.db2.gz RDZPOLXNTJCKIF-MRXNPFEDSA-N 0 3 284.403 3.068 20 30 CGEDHN CC/C=C/CCN1CCc2c(CC#N)cccc2C1 ZINC000599677924 347765226 /nfs/dbraw/zinc/76/52/26/347765226.db2.gz MTHVDVNXVYKPEY-ONEGZZNKSA-N 0 3 254.377 3.467 20 30 CGEDHN CO[C@H](CC(C)C)CN1CCc2c(CC#N)cccc2C1 ZINC000599678463 347765444 /nfs/dbraw/zinc/76/54/44/347765444.db2.gz RDGPXPCWVLQZHD-QGZVFWFLSA-N 0 3 286.419 3.172 20 30 CGEDHN Cc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1C#N ZINC000599381856 347740373 /nfs/dbraw/zinc/74/03/73/347740373.db2.gz CUIISRLPBFRIGC-SFHVURJKSA-N 0 3 284.403 3.258 20 30 CGEDHN Cc1ccc(CN2CCCO[C@@H](C(C)C)C2)cc1C#N ZINC000599431074 347743811 /nfs/dbraw/zinc/74/38/11/347743811.db2.gz OVHNBFYFRLYIBL-QGZVFWFLSA-N 0 3 272.392 3.114 20 30 CGEDHN Cc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C#N ZINC000599430245 347743910 /nfs/dbraw/zinc/74/39/10/347743910.db2.gz XPHVOQISHAPKLJ-LSDHHAIUSA-N 0 3 276.330 3.344 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599526282 347750590 /nfs/dbraw/zinc/75/05/90/347750590.db2.gz JMPZUSOHINIHDJ-ZDUSSCGKSA-N 0 3 260.337 3.301 20 30 CGEDHN N#Cc1ccc(C2(NCCC(F)(F)F)CCOCC2)cc1 ZINC000599634592 347760698 /nfs/dbraw/zinc/76/06/98/347760698.db2.gz WRKMHBCYPLEANK-UHFFFAOYSA-N 0 3 298.308 3.106 20 30 CGEDHN CC(C)(CCC#N)CN1CCc2c(O)cccc2C1 ZINC000600209000 347793354 /nfs/dbraw/zinc/79/33/54/347793354.db2.gz VPIQEFYFPSOSJJ-UHFFFAOYSA-N 0 3 258.365 3.080 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000601305492 347890573 /nfs/dbraw/zinc/89/05/73/347890573.db2.gz WMRDKJAEPUFKRF-DMDPSCGWSA-N 0 3 285.347 3.266 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2Cc2ccccc2)n1 ZINC000602435271 347956909 /nfs/dbraw/zinc/95/69/09/347956909.db2.gz KGYRTVREEPJRCA-SFHVURJKSA-N 0 3 277.371 3.160 20 30 CGEDHN CCc1ccccc1NC(=O)CN(C)C[C@H](C)CCC#N ZINC000602432966 347957263 /nfs/dbraw/zinc/95/72/63/347957263.db2.gz KKVBBIJLGPQHOP-CQSZACIVSA-N 0 3 287.407 3.059 20 30 CGEDHN C[C@@H](CCC#N)CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000602447855 347960164 /nfs/dbraw/zinc/96/01/64/347960164.db2.gz GUQCQTHVSHAXNC-GOEBONIOSA-N 0 3 276.380 3.200 20 30 CGEDHN Cc1ccccc1C[C@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602458945 347961043 /nfs/dbraw/zinc/96/10/43/347961043.db2.gz RDNZQVHJTLARMG-LJQANCHMSA-N 0 3 291.398 3.469 20 30 CGEDHN CC(C)CCN(CCC#N)CC1CCSCC1 ZINC000602465593 347962759 /nfs/dbraw/zinc/96/27/59/347962759.db2.gz PVVWLVOUVRFIDF-UHFFFAOYSA-N 0 3 254.443 3.391 20 30 CGEDHN CN(Cc1cccc(C#N)n1)C1CCC(C)(C)CC1 ZINC000602475335 347964877 /nfs/dbraw/zinc/96/48/77/347964877.db2.gz UGOLSNMJVLQJHM-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN Cc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602503558 347971628 /nfs/dbraw/zinc/97/16/28/347971628.db2.gz LHJVXHDPYVECFS-OAHLLOKOSA-N 0 3 272.392 3.184 20 30 CGEDHN N#CCC1(CN2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000602779690 348027647 /nfs/dbraw/zinc/02/76/47/348027647.db2.gz MNLXYXQBPJRNIH-GOSISDBHSA-N 0 3 298.430 3.404 20 30 CGEDHN CC(C)(C)Oc1cccc(CNC2CCC(C#N)CC2)n1 ZINC000602578975 347987096 /nfs/dbraw/zinc/98/70/96/347987096.db2.gz QCTKSYLMQLJUFX-UHFFFAOYSA-N 0 3 287.407 3.431 20 30 CGEDHN C[C@H](C[C@H]1CCCC(=O)N1)N[C@H](CCC#N)c1ccccc1 ZINC000602581902 347987866 /nfs/dbraw/zinc/98/78/66/347987866.db2.gz LUESQTULAWDRPR-DJIMGWMZSA-N 0 3 299.418 3.068 20 30 CGEDHN C[C@H](CCC#N)CN[C@H](C)c1ccc(Br)cn1 ZINC000602637056 347997585 /nfs/dbraw/zinc/99/75/85/347997585.db2.gz BDVFYBHBVCERGM-GHMZBOCLSA-N 0 3 296.212 3.435 20 30 CGEDHN C[C@H](CCC#N)CNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000602670622 348005021 /nfs/dbraw/zinc/00/50/21/348005021.db2.gz AKOXWHLRJMEGJF-SECBINFHSA-N 0 3 289.301 3.458 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602691455 348009656 /nfs/dbraw/zinc/00/96/56/348009656.db2.gz COBZCZCXYUMXFH-LSDHHAIUSA-N 0 3 287.407 3.025 20 30 CGEDHN N#CC1(CNC2CCc3ccccc3CC2)CCC1 ZINC000602697047 348011063 /nfs/dbraw/zinc/01/10/63/348011063.db2.gz SVWDYYZQNHIMCA-UHFFFAOYSA-N 0 3 254.377 3.217 20 30 CGEDHN CO[C@@H](CNCc1ccc(CC#N)cc1)Cc1ccccc1 ZINC000602697852 348011503 /nfs/dbraw/zinc/01/15/03/348011503.db2.gz BBXKIXHEQQRDRM-LJQANCHMSA-N 0 3 294.398 3.100 20 30 CGEDHN N#CC1(CNC[C@@H]2CCN(c3ccccc3)C2)CCCC1 ZINC000602699721 348012075 /nfs/dbraw/zinc/01/20/75/348012075.db2.gz MRHXXWQXEVXERD-INIZCTEOSA-N 0 3 283.419 3.186 20 30 CGEDHN N#CC1(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCCC1 ZINC000602700621 348012625 /nfs/dbraw/zinc/01/26/25/348012625.db2.gz UPSOZIXEXFVYLK-ZNMIVQPWSA-N 0 3 274.408 3.008 20 30 CGEDHN N#CCC1(CN(CCc2ccccc2)[C@@H]2CCOC2)CC1 ZINC000602789477 348029213 /nfs/dbraw/zinc/02/92/13/348029213.db2.gz VQVNDWPFKRPACT-QGZVFWFLSA-N 0 3 284.403 3.014 20 30 CGEDHN CCOC(=O)C(CC)(CC)CNCc1ccc(C#N)s1 ZINC000602731681 348019922 /nfs/dbraw/zinc/01/99/22/348019922.db2.gz GBJBZGGOBSQVQB-UHFFFAOYSA-N 0 3 294.420 3.079 20 30 CGEDHN N#CCC1(CN2CCS[C@H]3CCCC[C@H]32)CC1 ZINC000602786251 348029666 /nfs/dbraw/zinc/02/96/66/348029666.db2.gz FEBGQQWXSYNCLV-OLZOCXBDSA-N 0 3 250.411 3.040 20 30 CGEDHN CC(C)C[C@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602748877 348023285 /nfs/dbraw/zinc/02/32/85/348023285.db2.gz UTRIHJMCLLZLAR-LJQANCHMSA-N 0 3 299.462 3.348 20 30 CGEDHN N#CCC1(CN(Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000602764216 348025308 /nfs/dbraw/zinc/02/53/08/348025308.db2.gz NKWDGXPLZSPXJJ-QGZVFWFLSA-N 0 3 284.403 3.361 20 30 CGEDHN Cc1csc(C(C)(C)NC[C@@H](C)CCC#N)n1 ZINC000602548567 347979857 /nfs/dbraw/zinc/97/98/57/347979857.db2.gz ZQSWSYRHFNLQBI-JTQLQIEISA-N 0 3 251.399 3.216 20 30 CGEDHN N#CCC1(CN2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000602792001 348030743 /nfs/dbraw/zinc/03/07/43/348030743.db2.gz ZNYLHBIDIORRQQ-UHFFFAOYSA-N 0 3 294.402 3.436 20 30 CGEDHN C[C@@H]1CN(CC[C@@H]2CCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602848194 348036632 /nfs/dbraw/zinc/03/66/32/348036632.db2.gz FIUZURJLSAYJSZ-NUJGCVRESA-N 0 3 297.446 3.025 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC=C(c2cnn(C)c2)C1 ZINC000602881734 348040338 /nfs/dbraw/zinc/04/03/38/348040338.db2.gz HFUBNFHIBIXUFN-AWEZNQCLSA-N 0 3 292.386 3.142 20 30 CGEDHN CC[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000609676713 348350773 /nfs/dbraw/zinc/35/07/73/348350773.db2.gz LGRPBJJTXVVPTE-SJORKVTESA-N 0 3 299.418 3.033 20 30 CGEDHN C[C@@H](NCc1n[nH]c2ccccc21)c1ccc(C#N)cc1 ZINC000608982567 348334886 /nfs/dbraw/zinc/33/48/86/348334886.db2.gz ROYPVJXLMSSEQN-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN C[C@@H](NCc1[nH]nc2ccccc21)c1ccc(C#N)cc1 ZINC000608982567 348334887 /nfs/dbraw/zinc/33/48/87/348334887.db2.gz ROYPVJXLMSSEQN-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN N#Cc1cccc(NC(=O)CCN2C3CCCC2CCC3)c1 ZINC000610395050 348380601 /nfs/dbraw/zinc/38/06/01/348380601.db2.gz SUPUWHWTLZVSDA-UHFFFAOYSA-N 0 3 297.402 3.294 20 30 CGEDHN N#CCSCCCN1CCCO[C@@H](c2ccccc2)C1 ZINC000610409915 348381405 /nfs/dbraw/zinc/38/14/05/348381405.db2.gz RCLLVBXYJLVMCK-MRXNPFEDSA-N 0 3 290.432 3.097 20 30 CGEDHN N#Cc1csc(CNC[C@H]2OCCc3ccccc32)c1 ZINC000610488798 348384447 /nfs/dbraw/zinc/38/44/47/348384447.db2.gz XTTAUPWQTQHDPZ-MRXNPFEDSA-N 0 3 284.384 3.023 20 30 CGEDHN CN(CCCOc1cccc(C#N)c1)CCOC(C)(C)C ZINC000610859811 348406889 /nfs/dbraw/zinc/40/68/89/348406889.db2.gz NIRKTIJGZOCUEA-UHFFFAOYSA-N 0 3 290.407 3.074 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]2Cc2ccc(F)cc2)ccn1 ZINC000610991508 348413733 /nfs/dbraw/zinc/41/37/33/348413733.db2.gz MCXUTJIVVAGTQR-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]2Cc2ccccc2)ccn1 ZINC000610991209 348413753 /nfs/dbraw/zinc/41/37/53/348413753.db2.gz DSJQMYKEHRCLAJ-SFHVURJKSA-N 0 3 277.371 3.160 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](Cc3ccccc3)C2)ccn1 ZINC000610993368 348415106 /nfs/dbraw/zinc/41/51/06/348415106.db2.gz OLCISCCGEGXTHN-KRWDZBQOSA-N 0 3 277.371 3.018 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)ccn1 ZINC000610994519 348416246 /nfs/dbraw/zinc/41/62/46/348416246.db2.gz ITIVZOXCEGEBLE-OAHLLOKOSA-N 0 3 281.334 3.082 20 30 CGEDHN CC[C@@H](CN1CCCC1)Nc1c(F)cc(C#N)cc1F ZINC000610715981 348398882 /nfs/dbraw/zinc/39/88/82/348398882.db2.gz SIAITLNITWMPBN-LBPRGKRZSA-N 0 3 279.334 3.123 20 30 CGEDHN N#CC(C(=O)NC1CCCCC1)c1ccc2ccccc2n1 ZINC000611249144 348430642 /nfs/dbraw/zinc/43/06/42/348430642.db2.gz PUEZMWZVOJSAMF-HNNXBMFYSA-N 0 3 293.370 3.291 20 30 CGEDHN Cc1ccncc1[C@H](C)NCc1ccc(C#N)cc1 ZINC000611293100 348435852 /nfs/dbraw/zinc/43/58/52/348435852.db2.gz FPBVISPYAWIMNI-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN COc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000611390442 348444284 /nfs/dbraw/zinc/44/42/84/348444284.db2.gz AUOXPFXVSZJPJS-KRWDZBQOSA-N 0 3 293.370 3.129 20 30 CGEDHN CC[C@@H](C)CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553335 348460767 /nfs/dbraw/zinc/46/07/67/348460767.db2.gz WYOQPQBKXCGTAE-RHSMWYFYSA-N 0 3 289.398 3.054 20 30 CGEDHN CC(C)(C)c1ccc(C#N)c(NC2CCN(C3CC3)CC2)n1 ZINC000613410359 348598191 /nfs/dbraw/zinc/59/81/91/348598191.db2.gz ILOXHDKOHWBQSG-UHFFFAOYSA-N 0 3 298.434 3.289 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCCOC(C)(C)C1 ZINC000615438947 348739860 /nfs/dbraw/zinc/73/98/60/348739860.db2.gz BKXLAZVMSBJOHM-ZDUSSCGKSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C)c1ccc(C#N)cc1F ZINC000358555538 233154665 /nfs/dbraw/zinc/15/46/65/233154665.db2.gz LWDMUXSUQURLIG-AAEUAGOBSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(C#N)c1 ZINC000618570222 349108019 /nfs/dbraw/zinc/10/80/19/349108019.db2.gz XCHCTYBITBGNJJ-BJJXKVORSA-N 0 3 253.349 3.291 20 30 CGEDHN Cc1ccncc1[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000618195905 349061307 /nfs/dbraw/zinc/06/13/07/349061307.db2.gz YVMHEJHTLAPHKL-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN C=CCC1(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CCCC1 ZINC000619104470 349203174 /nfs/dbraw/zinc/20/31/74/349203174.db2.gz MRTCFDXBFAJNHD-KFWWJZLASA-N 0 3 278.440 3.253 20 30 CGEDHN N#C[C@H]1CC[C@@H](NC2(c3ccc(F)cc3)CCC2)C1 ZINC000619673454 349269502 /nfs/dbraw/zinc/26/95/02/349269502.db2.gz MBPMMHSNVBHFKL-SWLSCSKDSA-N 0 3 258.340 3.487 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CC[C@@H]2C2CCC2)c(F)c1 ZINC000619753516 349281751 /nfs/dbraw/zinc/28/17/51/349281751.db2.gz GPRBOPZOFZZYPF-ZBFHGGJFSA-N 0 3 258.340 3.366 20 30 CGEDHN CC[C@@H](C)N1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784598 349285174 /nfs/dbraw/zinc/28/51/74/349285174.db2.gz DMQXYJSYTAQTAH-CJNGLKHVSA-N 0 3 291.826 3.321 20 30 CGEDHN CN(C)[C@]1(CNc2ccc(Cl)cc2C#N)CCSC1 ZINC000359034625 233245932 /nfs/dbraw/zinc/24/59/32/233245932.db2.gz IQXKYMGBQCAVLA-AWEZNQCLSA-N 0 3 295.839 3.061 20 30 CGEDHN C=CC[C@H]1CCCN(CC(=O)N[C@H](C)c2ccccc2)C1 ZINC000625534385 350181938 /nfs/dbraw/zinc/18/19/38/350181938.db2.gz ABPAYHIVTJKRNV-CVEARBPZSA-N 0 3 286.419 3.152 20 30 CGEDHN C=CC(C)(C)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000625894844 350224610 /nfs/dbraw/zinc/22/46/10/350224610.db2.gz DCJUIUPHYWQOKX-UHFFFAOYSA-N 0 3 287.407 3.056 20 30 CGEDHN C=CCN(C[C@@H](O)c1ccc(Br)cc1)C1CC1 ZINC000271373588 191103185 /nfs/dbraw/zinc/10/31/85/191103185.db2.gz HFCDEPVUTHIOFU-CQSZACIVSA-N 0 3 296.208 3.133 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000628404966 350528868 /nfs/dbraw/zinc/52/88/68/350528868.db2.gz AEGRMEWFOKVSJC-TZMCWYRMSA-N 0 3 278.421 3.393 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000628544296 350573175 /nfs/dbraw/zinc/57/31/75/350573175.db2.gz AAVUYEDJUBWNCW-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628545178 350573241 /nfs/dbraw/zinc/57/32/41/350573241.db2.gz BMSHPSLULIUZRJ-QGZVFWFLSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCOc1ccccc1CN(C)CC(O)(CC)CC ZINC000628479486 350548946 /nfs/dbraw/zinc/54/89/46/350548946.db2.gz PFFPFYDKUAPYNR-UHFFFAOYSA-N 0 3 277.408 3.234 20 30 CGEDHN C=CC[C@@H](CC)NCc1ccncc1Br ZINC000631126286 350963583 /nfs/dbraw/zinc/96/35/83/350963583.db2.gz IHXBNQMQFYNNFV-LLVKDONJSA-N 0 3 269.186 3.288 20 30 CGEDHN C=CCOc1ccc(CNCC(C)(C)F)cc1OC ZINC000631192084 350985627 /nfs/dbraw/zinc/98/56/27/350985627.db2.gz VNXKFFIJYVUWDF-UHFFFAOYSA-N 0 3 267.344 3.098 20 30 CGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633379131 351289716 /nfs/dbraw/zinc/28/97/16/351289716.db2.gz SLNOOYVHZHBJQM-UHFFFAOYSA-N 0 3 290.407 3.298 20 30 CGEDHN Cc1ccc2ncc(C#N)c(NCC3=CCN(C)CC3)c2c1 ZINC000292013599 198134228 /nfs/dbraw/zinc/13/42/28/198134228.db2.gz SEXROWNEQWFZLO-UHFFFAOYSA-N 0 3 292.386 3.089 20 30 CGEDHN C=C(C)CN(CC)CCc1nc(-c2ccccc2)no1 ZINC000157316518 188310044 /nfs/dbraw/zinc/31/00/44/188310044.db2.gz FMAYAWBBQFKMOX-UHFFFAOYSA-N 0 3 271.364 3.177 20 30 CGEDHN CC[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000271698370 191282496 /nfs/dbraw/zinc/28/24/96/191282496.db2.gz SESONANCKFILJN-CQSZACIVSA-N 0 3 299.399 3.299 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(OC3CCCCC3)CC2)C1 ZINC000336595707 283057815 /nfs/dbraw/zinc/05/78/15/283057815.db2.gz GRDKYBXEVKBPSE-HUUCEWRRSA-N 0 3 276.424 3.492 20 30 CGEDHN Cc1ccccc1[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000271865603 191377761 /nfs/dbraw/zinc/37/77/61/191377761.db2.gz VAHOERGETYVQCF-KSSFIOAISA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@H](N[C@@H]1CS[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000414225256 235368939 /nfs/dbraw/zinc/36/89/39/235368939.db2.gz IOJCPMHJMYDNII-NRUUGDAUSA-N 0 3 264.369 3.242 20 30 CGEDHN COC1([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000414294989 235381640 /nfs/dbraw/zinc/38/16/40/235381640.db2.gz CUNDQYKCFMLRIB-NWDGAFQWSA-N 0 3 276.355 3.306 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000424187406 283146955 /nfs/dbraw/zinc/14/69/55/283146955.db2.gz VUIPPGLKCKPEII-GFCCVEGCSA-N 0 3 266.266 3.219 20 30 CGEDHN Cc1nc(C)c(CCNCc2ccc(C#N)c(F)c2)s1 ZINC000421363483 235806843 /nfs/dbraw/zinc/80/68/43/235806843.db2.gz LPYJIJIHIRDQAQ-UHFFFAOYSA-N 0 3 289.379 3.103 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(CO)cc1 ZINC000425528969 236256941 /nfs/dbraw/zinc/25/69/41/236256941.db2.gz AERLVHWBZHYNQH-CQSZACIVSA-N 0 3 280.371 3.244 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCc1cscn1 ZINC000425536649 236257715 /nfs/dbraw/zinc/25/77/15/236257715.db2.gz PCFOACMLYREJRD-GFCCVEGCSA-N 0 3 271.389 3.250 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOC1CCC1 ZINC000425542503 236258906 /nfs/dbraw/zinc/25/89/06/236258906.db2.gz YFOALNSSLFVUCZ-CYBMUJFWSA-N 0 3 258.365 3.120 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)s1)c1ccccn1 ZINC000294923962 199252008 /nfs/dbraw/zinc/25/20/08/199252008.db2.gz YZRXQOIGPHQLKX-UHFFFAOYSA-N 0 3 271.389 3.082 20 30 CGEDHN Clc1ccc(C#CCN(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000177028106 189021736 /nfs/dbraw/zinc/02/17/36/189021736.db2.gz IBACKKGBNKETGC-HNNXBMFYSA-N 0 3 289.806 3.192 20 30 CGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000177445335 189051679 /nfs/dbraw/zinc/05/16/79/189051679.db2.gz YWCHDYVKUPJGRA-WBVHZDCISA-N 0 3 286.419 3.122 20 30 CGEDHN N#Cc1ccc(CN2CC[C@]3(C2)CCCOC3)c(Cl)c1 ZINC000341977715 216174969 /nfs/dbraw/zinc/17/49/69/216174969.db2.gz MUIPOAMXPFYWRU-INIZCTEOSA-N 0 3 290.794 3.214 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cn(C)nc2C)cc1 ZINC000178717935 189139726 /nfs/dbraw/zinc/13/97/26/189139726.db2.gz HUUYWVROZSNFSB-KGLIPLIRSA-N 0 3 297.402 3.152 20 30 CGEDHN CO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000451829902 240368205 /nfs/dbraw/zinc/36/82/05/240368205.db2.gz BSLLUGJEIPTUIL-HZPDHXFCSA-N 0 3 288.366 3.087 20 30 CGEDHN N#Cc1ccc(CN(C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000439441133 238256039 /nfs/dbraw/zinc/25/60/39/238256039.db2.gz PEFLSGPREBQTNC-CYBMUJFWSA-N 0 3 290.794 3.213 20 30 CGEDHN N#Cc1ccccc1-c1ccc(CN[C@@H]2CCCOC2)cc1 ZINC000180220826 189244572 /nfs/dbraw/zinc/24/45/72/189244572.db2.gz ALMBNXGUCXQTPH-GOSISDBHSA-N 0 3 292.382 3.494 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC(F)(F)C2)s1 ZINC000335796571 212542085 /nfs/dbraw/zinc/54/20/85/212542085.db2.gz CQIZCQMPKZOXRB-SECBINFHSA-N 0 3 256.321 3.287 20 30 CGEDHN Cn1cc([C@@H](NCc2ccc(C#N)cc2)C(C)(C)C)cn1 ZINC000342350079 216321027 /nfs/dbraw/zinc/32/10/27/216321027.db2.gz ZHOKGEXSQRVXHJ-MRXNPFEDSA-N 0 3 282.391 3.169 20 30 CGEDHN C[C@@H]1CCCCN1CCNc1nc2c(cc1C#N)CCCC2 ZINC000301885638 201248453 /nfs/dbraw/zinc/24/84/53/201248453.db2.gz LZYFWOHIODQCLZ-CQSZACIVSA-N 0 3 298.434 3.118 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H](C)CN1CCCCC1 ZINC000302030064 201307639 /nfs/dbraw/zinc/30/76/39/201307639.db2.gz BNHOSGOSIKQCEW-CQSZACIVSA-N 0 3 299.418 3.295 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCCCN1CCCC[C@H]1C ZINC000302109720 201343543 /nfs/dbraw/zinc/34/35/43/201343543.db2.gz OYKZUNLKVCBOTR-CQSZACIVSA-N 0 3 299.418 3.437 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N[C@@H](C)CN1CCCCC1 ZINC000302110199 201344851 /nfs/dbraw/zinc/34/48/51/201344851.db2.gz PGRDEALKIVENNY-ZDUSSCGKSA-N 0 3 285.391 3.047 20 30 CGEDHN CC1=CCN(CCNc2ccc3cc(C#N)ccc3n2)CC1 ZINC000302141462 201361878 /nfs/dbraw/zinc/36/18/78/201361878.db2.gz HBZIQRLOEPCKSH-UHFFFAOYSA-N 0 3 292.386 3.170 20 30 CGEDHN N#Cc1cccc(CN2CCC(OC3CCCC3)CC2)c1 ZINC000121114464 370830628 /nfs/dbraw/zinc/83/06/28/370830628.db2.gz YCURICPYLFSMCO-UHFFFAOYSA-N 0 3 284.403 3.482 20 30 CGEDHN C=CCN(C)CCC(=O)Nc1cccc2ccccc21 ZINC000121346066 370853455 /nfs/dbraw/zinc/85/34/55/370853455.db2.gz CIGSPLSTNATZRD-UHFFFAOYSA-N 0 3 268.360 3.286 20 30 CGEDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000486767516 243370877 /nfs/dbraw/zinc/37/08/77/243370877.db2.gz AMXSKYQGJPDUHO-PBHICJAKSA-N 0 3 299.418 3.397 20 30 CGEDHN C#CCCCCNCc1cc(O)ccc1Br ZINC000124823511 370927947 /nfs/dbraw/zinc/92/79/47/370927947.db2.gz LNIIRCIJAIQSOP-UHFFFAOYSA-N 0 3 282.181 3.048 20 30 CGEDHN C=C(C)COCCNCc1cccc(C(F)(F)F)c1 ZINC000125812165 370941808 /nfs/dbraw/zinc/94/18/08/370941808.db2.gz ZXLQUJLVUQXQDT-UHFFFAOYSA-N 0 3 273.298 3.388 20 30 CGEDHN Cc1ccc(CN(C)CCOc2ccc(C#N)cc2)cc1 ZINC000034651761 368976911 /nfs/dbraw/zinc/97/69/11/368976911.db2.gz JTUQUVSNINQGIJ-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN CN1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000036973576 369044170 /nfs/dbraw/zinc/04/41/70/369044170.db2.gz WLQNNUXQWAFHOX-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000037748268 369102939 /nfs/dbraw/zinc/10/29/39/369102939.db2.gz ITUFQQVRBAHMGX-CYBMUJFWSA-N 0 3 266.344 3.418 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574292817 335008140 /nfs/dbraw/zinc/00/81/40/335008140.db2.gz SZDMIFOFNYFYGG-CYBMUJFWSA-N 0 3 273.336 3.112 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc(F)cc2)n1 ZINC000041520438 369189684 /nfs/dbraw/zinc/18/96/84/369189684.db2.gz AKUGBAFLKMTLIY-LLVKDONJSA-N 0 3 260.293 3.081 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccsc1)C(C)C ZINC000046049274 369288424 /nfs/dbraw/zinc/28/84/24/369288424.db2.gz RKWUIWOBSKKFAG-OAHLLOKOSA-N 0 3 292.448 3.177 20 30 CGEDHN C=CCCN(C)Cc1c(C2CC2)nc2sccn12 ZINC000276159771 193230384 /nfs/dbraw/zinc/23/03/84/193230384.db2.gz QKLQFVNLURNDCE-UHFFFAOYSA-N 0 3 261.394 3.281 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128661795 370965610 /nfs/dbraw/zinc/96/56/10/370965610.db2.gz WLTOZHHFUQSYJY-KBPBESRZSA-N 0 3 295.810 3.120 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC1CCCC1 ZINC000064021334 369650386 /nfs/dbraw/zinc/65/03/86/369650386.db2.gz SIBLUJCSMQCIFU-CYBMUJFWSA-N 0 3 285.391 3.007 20 30 CGEDHN CCOCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000078909139 369954592 /nfs/dbraw/zinc/95/45/92/369954592.db2.gz CKGJIUFJZCAXIC-UHFFFAOYSA-N 0 3 280.371 3.385 20 30 CGEDHN C=C(Cl)CN(CC)CC1CCN(c2ccccn2)CC1 ZINC000076108967 369930479 /nfs/dbraw/zinc/93/04/79/369930479.db2.gz QNAQRPYBDJRBJE-UHFFFAOYSA-N 0 3 293.842 3.372 20 30 CGEDHN C=CCCCN(C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000076801631 369943654 /nfs/dbraw/zinc/94/36/54/369943654.db2.gz ZBESUVHLRYAQLO-CQSZACIVSA-N 0 3 293.411 3.378 20 30 CGEDHN C=CCN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000084680937 370014724 /nfs/dbraw/zinc/01/47/24/370014724.db2.gz WZLHHUATVQJOES-UHFFFAOYSA-N 0 3 250.430 3.005 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000090883981 370070346 /nfs/dbraw/zinc/07/03/46/370070346.db2.gz RBUKZOMAHVLDKC-MRXNPFEDSA-N 0 3 291.391 3.091 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000090919471 370071508 /nfs/dbraw/zinc/07/15/08/370071508.db2.gz GTYWQUWLVHUXBZ-JTQLQIEISA-N 0 3 282.181 3.132 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](COCC)C2)cc1 ZINC000093418875 370126488 /nfs/dbraw/zinc/12/64/88/370126488.db2.gz HTJVCFARNJKZID-QGZVFWFLSA-N 0 3 289.419 3.500 20 30 CGEDHN C[C@H](C#N)CN[C@H]1CCc2cc(Br)ccc2C1 ZINC000106367201 370351235 /nfs/dbraw/zinc/35/12/35/370351235.db2.gz ZNLDWOYAJXCLHT-YGRLFVJLSA-N 0 3 293.208 3.056 20 30 CGEDHN C[C@H](NCCN(C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512640892 245044647 /nfs/dbraw/zinc/04/46/47/245044647.db2.gz BGAKFOBDOIAEKI-AWEZNQCLSA-N 0 3 297.377 3.484 20 30 CGEDHN C=CC[C@@H](C)NCc1cccc(OC)c1OC(F)F ZINC000116927488 370575542 /nfs/dbraw/zinc/57/55/42/370575542.db2.gz XEKXHTDGVHNLJU-SNVBAGLBSA-N 0 3 271.307 3.351 20 30 CGEDHN C=CCN(Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000131966160 371143566 /nfs/dbraw/zinc/14/35/66/371143566.db2.gz ZEGFYMSGWBTCPG-UHFFFAOYSA-N 0 3 293.407 3.499 20 30 CGEDHN COc1ccc(CN2CCCC[C@H](SC)C2)cc1C#N ZINC000135216009 371401091 /nfs/dbraw/zinc/40/10/91/371401091.db2.gz YRKILPDYISEAPH-HNNXBMFYSA-N 0 3 290.432 3.284 20 30 CGEDHN CN(C)[C@@H](CNCc1ccc(C#N)s1)c1cccs1 ZINC000135669215 371443249 /nfs/dbraw/zinc/44/32/49/371443249.db2.gz DEZPXPPELKTYRJ-ZDUSSCGKSA-N 0 3 291.445 3.074 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)C[C@@H]1CC=CCC1 ZINC000344030568 217016536 /nfs/dbraw/zinc/01/65/36/217016536.db2.gz BYEZTJLMQSANDO-CQSZACIVSA-N 0 3 270.376 3.355 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151872308 371646199 /nfs/dbraw/zinc/64/61/99/371646199.db2.gz BIVNIRQEPXQAHO-DLBZAZTESA-N 0 3 296.370 3.239 20 30 CGEDHN C#C[C@@H](C)N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000289525469 371757148 /nfs/dbraw/zinc/75/71/48/371757148.db2.gz PPHMMHALBIXTOR-GHMZBOCLSA-N 0 3 298.308 3.034 20 30 CGEDHN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CC=CCC1 ZINC000344090660 217047343 /nfs/dbraw/zinc/04/73/43/217047343.db2.gz UVVLKVGGAGXORP-CYBMUJFWSA-N 0 3 258.340 3.485 20 30 CGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000344131299 217067478 /nfs/dbraw/zinc/06/74/78/217067478.db2.gz WIBVMWZDIBKISJ-UHFFFAOYSA-N 0 3 298.361 3.346 20 30 CGEDHN CCN(CC)[C@@H](CNc1cccnc1C#N)c1ccco1 ZINC000290705722 372041043 /nfs/dbraw/zinc/04/10/43/372041043.db2.gz WTDAPWCFKGFLCI-HNNXBMFYSA-N 0 3 284.363 3.041 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@H](Nc2ccccc2)C1 ZINC000157916903 372042479 /nfs/dbraw/zinc/04/24/79/372042479.db2.gz COOMCOQBIBXRCA-HNNXBMFYSA-N 0 3 257.381 3.113 20 30 CGEDHN C=CCN(CC=C)Cc1cccc(-n2cccn2)c1 ZINC000158119299 372054223 /nfs/dbraw/zinc/05/42/23/372054223.db2.gz GGMXCEQCVGWPHM-UHFFFAOYSA-N 0 3 253.349 3.046 20 30 CGEDHN C[C@@H]1CC[C@](CO)(N(C)CC#Cc2cccc(Cl)c2)C1 ZINC000425918044 372144258 /nfs/dbraw/zinc/14/42/58/372144258.db2.gz LNUIRCVZMLZGSP-PBHICJAKSA-N 0 3 291.822 3.174 20 30 CGEDHN CC[C@]1(C)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000344236292 217111632 /nfs/dbraw/zinc/11/16/32/217111632.db2.gz JVGFSEMLLJVNNH-QGZVFWFLSA-N 0 3 267.376 3.433 20 30 CGEDHN C=C(C)CCN(CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000425505863 372129675 /nfs/dbraw/zinc/12/96/75/372129675.db2.gz BSEIXTQMPITTPU-HNNXBMFYSA-N 0 3 253.386 3.006 20 30 CGEDHN CC[C@](C)(C(=O)OC)N(CCCC(C)(C)C#N)CC1CC1 ZINC000425518083 372131204 /nfs/dbraw/zinc/13/12/04/372131204.db2.gz XWBAQLHMDYCZCR-QGZVFWFLSA-N 0 3 294.439 3.370 20 30 CGEDHN C=CCc1cc(CN2CC[C@H]2CC)cc(OC)c1O ZINC000292820532 372218537 /nfs/dbraw/zinc/21/85/37/372218537.db2.gz PWBRJKKDVHJUNC-CQSZACIVSA-N 0 3 261.365 3.114 20 30 CGEDHN CCC1(CC)[C@H](NCc2cc(C#N)ccc2F)C[C@@H]1OC ZINC000344292708 217135837 /nfs/dbraw/zinc/13/58/37/217135837.db2.gz GCRWJTMYUBIIIV-CVEARBPZSA-N 0 3 290.382 3.381 20 30 CGEDHN CCCN(CCN1CCCC1)Cc1cccc(F)c1C#N ZINC000428966956 372292698 /nfs/dbraw/zinc/29/26/98/372292698.db2.gz WMCVDJDCWYTKFT-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN CC(C)[C@]1(CO)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000292906411 372244474 /nfs/dbraw/zinc/24/44/74/372244474.db2.gz ATWVOLQOQYHHCE-MAUKXSAKSA-N 0 3 286.419 3.350 20 30 CGEDHN C=CCC(C)(C)CNCc1c(C)nn(C)c1Cl ZINC000292912536 372245751 /nfs/dbraw/zinc/24/57/51/372245751.db2.gz HMGNXGWZPGXMDV-UHFFFAOYSA-N 0 3 255.793 3.074 20 30 CGEDHN CCOCC(C)(C)NCC#Cc1cccc(Cl)c1 ZINC000293156383 372314489 /nfs/dbraw/zinc/31/44/89/372314489.db2.gz FHKKFUUAIAOSNK-UHFFFAOYSA-N 0 3 265.784 3.096 20 30 CGEDHN CCC1(CC)[C@@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1OC ZINC000429295787 372345357 /nfs/dbraw/zinc/34/53/57/372345357.db2.gz RBMHSYQLLZIXER-HOTGVXAUSA-N 0 3 290.382 3.381 20 30 CGEDHN CO[C@H](c1ccccc1)[C@H](C)NCC1(CC#N)CC1 ZINC000430736861 372393610 /nfs/dbraw/zinc/39/36/10/372393610.db2.gz GFEYXUVNNIRPKC-ZFWWWQNUSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCN(CCOC)CCSCc1ccccc1 ZINC000430773559 372395426 /nfs/dbraw/zinc/39/54/26/372395426.db2.gz VHAIXRPLBMWFSJ-UHFFFAOYSA-N 0 3 265.422 3.054 20 30 CGEDHN C[C@@H](c1ccc(Cl)cc1)N(C)CCOCCC#N ZINC000293627627 372429480 /nfs/dbraw/zinc/42/94/80/372429480.db2.gz WOZBDJRWKRIKRU-LBPRGKRZSA-N 0 3 266.772 3.263 20 30 CGEDHN C=CCOCCN[C@H](C)c1cccc(OC(C)C)c1 ZINC000293918929 372525330 /nfs/dbraw/zinc/52/53/30/372525330.db2.gz XQTNZKWEBZDGPJ-CQSZACIVSA-N 0 3 263.381 3.327 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NCCN1CCCC[C@@H]1CC ZINC000432080747 372533182 /nfs/dbraw/zinc/53/31/82/372533182.db2.gz QGAJSHUVJUJLNU-HNNXBMFYSA-N 0 3 295.471 3.152 20 30 CGEDHN CC(C)(C)OC1CC(CCNCc2ccc(C#N)o2)C1 ZINC000432242371 372552498 /nfs/dbraw/zinc/55/24/98/372552498.db2.gz ZGZVFLLWDCOHIX-UHFFFAOYSA-N 0 3 276.380 3.225 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(F)c(Cl)c1Cl ZINC000432256726 372553865 /nfs/dbraw/zinc/55/38/65/372553865.db2.gz HTIHNOSBTAFJIG-SECBINFHSA-N 0 3 292.181 3.407 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccs1 ZINC000433111401 372581265 /nfs/dbraw/zinc/58/12/65/372581265.db2.gz UNEGRSLJYFJXDU-CQSZACIVSA-N 0 3 284.384 3.137 20 30 CGEDHN CC(C)CN(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433234611 372584260 /nfs/dbraw/zinc/58/42/60/372584260.db2.gz SNYJIGAXNRLUCF-INIZCTEOSA-N 0 3 284.403 3.406 20 30 CGEDHN CCCN(CC(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000433347502 372596778 /nfs/dbraw/zinc/59/67/78/372596778.db2.gz NLELXDMLKAWJGX-AWEZNQCLSA-N 0 3 294.345 3.263 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000433361334 372598258 /nfs/dbraw/zinc/59/82/58/372598258.db2.gz HENWRVMPCMRWKH-RCCFBDPRSA-N 0 3 296.414 3.408 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N(CC(F)F)C1CC1 ZINC000433351895 372598282 /nfs/dbraw/zinc/59/82/82/372598282.db2.gz GYQHFGWNEUTADP-CYBMUJFWSA-N 0 3 292.329 3.015 20 30 CGEDHN CC1(C)COc2c1cccc2C(=O)C(C#N)c1ccccn1 ZINC000434629661 372696856 /nfs/dbraw/zinc/69/68/56/372696856.db2.gz RIUUQPGCPAMGQT-ZDUSSCGKSA-N 0 3 292.338 3.242 20 30 CGEDHN Cc1ccc([C@H]2OCCC[C@@H]2NCc2ccc(C#N)o2)cc1 ZINC000344608444 217248379 /nfs/dbraw/zinc/24/83/79/217248379.db2.gz XOMLPYLRTBOACL-ZWKOTPCHSA-N 0 3 296.370 3.470 20 30 CGEDHN CC#CCCNCc1ccc(N(C)c2ccccc2)nc1 ZINC000437150119 372845385 /nfs/dbraw/zinc/84/53/85/372845385.db2.gz VPHONIJPDWUQKP-UHFFFAOYSA-N 0 3 279.387 3.353 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437473451 372848757 /nfs/dbraw/zinc/84/87/57/372848757.db2.gz OWXFVLHPLDFFJQ-IRUJWGPZSA-N 0 3 296.292 3.227 20 30 CGEDHN C=CCN(CCC(=O)N1CCC[C@@H]1C)Cc1cccs1 ZINC000438797305 372970788 /nfs/dbraw/zinc/97/07/88/372970788.db2.gz YNNGBBBLODKDQB-AWEZNQCLSA-N 0 3 292.448 3.137 20 30 CGEDHN CCOc1ccc2c(c1)CCN(CCCCC#N)C2 ZINC000441077589 372996109 /nfs/dbraw/zinc/99/61/09/372996109.db2.gz URAJBWMZDAJGHC-UHFFFAOYSA-N 0 3 258.365 3.137 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C)[C@H]1C ZINC000172863140 373051921 /nfs/dbraw/zinc/05/19/21/373051921.db2.gz BHYRUMKEZZNFPY-UONOGXRCSA-N 0 3 288.391 3.066 20 30 CGEDHN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000442806712 373092037 /nfs/dbraw/zinc/09/20/37/373092037.db2.gz CGPHSOIAPHUZNT-RLCCDNCMSA-N 0 3 276.355 3.306 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000296397681 373118105 /nfs/dbraw/zinc/11/81/05/373118105.db2.gz KIDDBNNBWCBTLE-OZVIIMIRSA-N 0 3 278.371 3.409 20 30 CGEDHN C[C@@H](c1cnn(C)c1)N(C)CCCCC(C)(C)C#N ZINC000444690958 373236115 /nfs/dbraw/zinc/23/61/15/373236115.db2.gz WEGNYOFSFKLUNA-ZDUSSCGKSA-N 0 3 262.401 3.133 20 30 CGEDHN C=CCC1(C(=O)Nc2cccc(CNC)c2)CCC1 ZINC000297228198 373261144 /nfs/dbraw/zinc/26/11/44/373261144.db2.gz OOOBYIXIGGUQIL-UHFFFAOYSA-N 0 3 258.365 3.091 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCO[C@@H]2c2ccccc2)o1 ZINC000174305290 373288796 /nfs/dbraw/zinc/28/87/96/373288796.db2.gz FNAHVGVNNUGRQY-MAUKXSAKSA-N 0 3 296.370 3.409 20 30 CGEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCCCC#N ZINC000175386182 373460881 /nfs/dbraw/zinc/46/08/81/373460881.db2.gz QWONJPZWFCZLOQ-YJYMSZOUSA-N 0 3 278.421 3.111 20 30 CGEDHN Cc1cc(C)c(C#N)c(NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC000447807164 373493204 /nfs/dbraw/zinc/49/32/04/373493204.db2.gz QEOTUKQEDAODPO-HNNXBMFYSA-N 0 3 286.423 3.102 20 30 CGEDHN C=CCNCc1cnc(CCc2ccccc2)s1 ZINC000449271556 373674634 /nfs/dbraw/zinc/67/46/34/373674634.db2.gz UARVAGXDFAYEIM-UHFFFAOYSA-N 0 3 258.390 3.204 20 30 CGEDHN C[C@H](NC[C@H](C#N)CCC#N)[C@@H](C)c1ccccc1 ZINC000177476837 373685570 /nfs/dbraw/zinc/68/55/70/373685570.db2.gz PFJBVDZOJGCAPI-ILXRZTDVSA-N 0 3 255.365 3.212 20 30 CGEDHN CC[C@@H](C)[C@@H](CNCc1ccc(C#N)c(C)c1)OC ZINC000449403870 373686814 /nfs/dbraw/zinc/68/68/14/373686814.db2.gz RTQUXPNSIWIADU-MLGOLLRUSA-N 0 3 260.381 3.017 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](SC)C2)cc1 ZINC000449447378 373727300 /nfs/dbraw/zinc/72/73/00/373727300.db2.gz YJMSXRIPRSQUKC-HNNXBMFYSA-N 0 3 263.406 3.189 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H](CO)c2ccccc2)cc1 ZINC000449453999 373737304 /nfs/dbraw/zinc/73/73/04/373737304.db2.gz NZHAOLHVDYYATH-LJQANCHMSA-N 0 3 297.398 3.417 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](OC)[C@@H](C)C1 ZINC000449510987 373810169 /nfs/dbraw/zinc/81/01/69/373810169.db2.gz YANSBIBDCCCXFO-GOEBONIOSA-N 0 3 275.392 3.108 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OCCC)c1 ZINC000449549012 373830295 /nfs/dbraw/zinc/83/02/95/373830295.db2.gz SWTVGQSIBPVGFE-SJORKVTESA-N 0 3 275.392 3.299 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2c(F)cccc2-n2cccn2)C1 ZINC000449691775 373842170 /nfs/dbraw/zinc/84/21/70/373842170.db2.gz YFSPLNRMGHFKBE-UONOGXRCSA-N 0 3 298.365 3.183 20 30 CGEDHN CC[C@@H]1CC[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000449726069 373856318 /nfs/dbraw/zinc/85/63/18/373856318.db2.gz WKWWJAKEZGMJTH-UONOGXRCSA-N 0 3 282.391 3.216 20 30 CGEDHN C=CCCOCCN[C@H]1CCCOc2ccccc21 ZINC000181766403 374166199 /nfs/dbraw/zinc/16/61/99/374166199.db2.gz PPMTZUFWHFATSY-HNNXBMFYSA-N 0 3 261.365 3.083 20 30 CGEDHN CCOC1(CNCc2cc(C#N)cs2)CCCC1 ZINC000311065982 374231574 /nfs/dbraw/zinc/23/15/74/374231574.db2.gz LBRQZBPSGDOVMP-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN C[C@H](NCCCSCC#N)c1cccc(F)c1F ZINC000182000363 374202715 /nfs/dbraw/zinc/20/27/15/374202715.db2.gz RMXPGUOKSSONQL-JTQLQIEISA-N 0 3 270.348 3.262 20 30 CGEDHN C[C@@H]1CCC(C)(C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000452003341 374215883 /nfs/dbraw/zinc/21/58/83/374215883.db2.gz GFQDDLSAAATWCC-GFCCVEGCSA-N 0 3 296.374 3.371 20 30 CGEDHN N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000309583287 374188800 /nfs/dbraw/zinc/18/88/00/374188800.db2.gz PXTQLYXJKVTBEC-MRXNPFEDSA-N 0 3 295.361 3.384 20 30 CGEDHN CC[C@@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000182302052 374254402 /nfs/dbraw/zinc/25/44/02/374254402.db2.gz FOJIIMIAEVHWCB-HZPDHXFCSA-N 0 3 277.795 3.239 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN[C@H](CO)c1ccccc1 ZINC000182909735 374341912 /nfs/dbraw/zinc/34/19/12/374341912.db2.gz BFKBKANAJVLEHT-GOSISDBHSA-N 0 3 294.398 3.311 20 30 CGEDHN Cc1c([C@H](C)NCc2ccccc2C(C)(C)C#N)cnn1C ZINC000183458966 374415663 /nfs/dbraw/zinc/41/56/63/374415663.db2.gz JHDQKECUENPEKQ-ZDUSSCGKSA-N 0 3 296.418 3.381 20 30 CGEDHN Cc1cncc([C@@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000184400845 374519471 /nfs/dbraw/zinc/51/94/71/374519471.db2.gz JVVKYWGLBQSJPF-CQSZACIVSA-N 0 3 281.359 3.143 20 30 CGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332158340 374557263 /nfs/dbraw/zinc/55/72/63/374557263.db2.gz UQCXJFKHZIPWOX-SWLSCSKDSA-N 0 3 296.374 3.229 20 30 CGEDHN N#CCC1CCN(C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000334201579 374655748 /nfs/dbraw/zinc/65/57/48/374655748.db2.gz PAENNWSUZATDEI-OAHLLOKOSA-N 0 3 262.397 3.104 20 30 CGEDHN Cc1ccncc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000334666796 374954984 /nfs/dbraw/zinc/95/49/84/374954984.db2.gz JXQROTUBILAVKC-KRWDZBQOSA-N 0 3 263.344 3.039 20 30 CGEDHN CC(C#N)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000470218519 374996106 /nfs/dbraw/zinc/99/61/06/374996106.db2.gz FRJIUFDIQOTRFL-GHMZBOCLSA-N 0 3 298.308 3.475 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187760253 375088908 /nfs/dbraw/zinc/08/89/08/375088908.db2.gz MSBZYSDJFVKQLK-BBRMVZONSA-N 0 3 281.346 3.499 20 30 CGEDHN C=C(C)[C@H](NCCCOC)c1ccc(F)c(F)c1 ZINC000187792726 375096819 /nfs/dbraw/zinc/09/68/19/375096819.db2.gz QRZLTXJYRBGCDE-AWEZNQCLSA-N 0 3 255.308 3.208 20 30 CGEDHN C=C(C)CN(C)CCOc1ccc(OCCC)cc1 ZINC000481265690 375163830 /nfs/dbraw/zinc/16/38/30/375163830.db2.gz BIRJWTIDSOCULJ-UHFFFAOYSA-N 0 3 263.381 3.362 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000487163196 375202819 /nfs/dbraw/zinc/20/28/19/375202819.db2.gz APMAUPIGEZOCIR-NSHDSACASA-N 0 3 292.329 3.052 20 30 CGEDHN CN(Cc1ccc(F)c(F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000335331982 375262253 /nfs/dbraw/zinc/26/22/53/375262253.db2.gz NVHAHRFNRKPLIZ-ZYHUDNBSSA-N 0 3 250.292 3.089 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@]3(CCCOC3)C2)s1 ZINC000335800994 375441615 /nfs/dbraw/zinc/44/16/15/375441615.db2.gz SPKWYFWIRLILHY-HNNXBMFYSA-N 0 3 276.405 3.012 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H]1CCC(C)(C)O1 ZINC000495160828 375496744 /nfs/dbraw/zinc/49/67/44/375496744.db2.gz ZLNKZBATRFXNDK-OAHLLOKOSA-N 0 3 275.392 3.299 20 30 CGEDHN Cc1sc(NC(=O)C(C)C(F)(F)F)c(C#N)c1C ZINC000335880099 375508330 /nfs/dbraw/zinc/50/83/30/375508330.db2.gz MVJUOQCVALHRBF-ZCFIWIBFSA-N 0 3 276.283 3.374 20 30 CGEDHN CC(C(=O)Nc1cc(C#N)c2ccccc2n1)C(F)(F)F ZINC000335994444 375601182 /nfs/dbraw/zinc/60/11/82/375601182.db2.gz MOHKWLRABHSHPZ-QMMMGPOBSA-N 0 3 293.248 3.243 20 30 CGEDHN CC(C)C[C@]1(CO)CCCN1Cc1cc(C#N)ccc1F ZINC000191660533 375649381 /nfs/dbraw/zinc/64/93/81/375649381.db2.gz QXRINQZXWSOQBZ-KRWDZBQOSA-N 0 3 290.382 3.070 20 30 CGEDHN C=C(CC)CN1C[C@@H](C)N(CC(=C)CC)[C@@H](C)C1 ZINC000499762325 375633141 /nfs/dbraw/zinc/63/31/41/375633141.db2.gz MLTCVCIIXVIJLU-IYBDPMFKSA-N 0 3 250.430 3.313 20 30 CGEDHN COc1cccc(C2=CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000336128552 375708548 /nfs/dbraw/zinc/70/85/48/375708548.db2.gz ZFDVXWZQQBNSTO-PBHICJAKSA-N 0 3 282.387 3.477 20 30 CGEDHN Cc1cccc2ncc(CN3CCC(CCC#N)CC3)n21 ZINC000516066075 375818051 /nfs/dbraw/zinc/81/80/51/375818051.db2.gz MCIZFIRQELBERK-UHFFFAOYSA-N 0 3 282.391 3.159 20 30 CGEDHN C=CCCCCCN1CCC(c2nc(C)no2)CC1 ZINC000193316500 375859000 /nfs/dbraw/zinc/85/90/00/375859000.db2.gz ZQBQKGWEXTVLGU-UHFFFAOYSA-N 0 3 263.385 3.304 20 30 CGEDHN CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000528508532 375903934 /nfs/dbraw/zinc/90/39/34/375903934.db2.gz ZZLOKQKMZLRPFT-GXTWGEPZSA-N 0 3 290.432 3.186 20 30 CGEDHN C=CCC[C@@H](O)CN1CCc2cccc(F)c2[C@H]1C ZINC000532378404 375951053 /nfs/dbraw/zinc/95/10/53/375951053.db2.gz VGKKSKSIWHUZCJ-TZMCWYRMSA-N 0 3 263.356 3.072 20 30 CGEDHN C=CCN(CCO[C@@H]1CCCCO1)Cc1ccccc1 ZINC000195233783 376091532 /nfs/dbraw/zinc/09/15/32/376091532.db2.gz JWHDWKUPWVHQPM-QGZVFWFLSA-N 0 3 275.392 3.218 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cscn1)C(C)C ZINC000535779653 376058447 /nfs/dbraw/zinc/05/84/47/376058447.db2.gz OWRDIDRHZNUKKZ-HOCLYGCPSA-N 0 3 293.480 3.492 20 30 CGEDHN C=CCN(CCOC)CCSC1CCCCC1 ZINC000337397298 376219071 /nfs/dbraw/zinc/21/90/71/376219071.db2.gz GBPSFAGPMDYEKO-UHFFFAOYSA-N 0 3 257.443 3.187 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000538290582 376229948 /nfs/dbraw/zinc/22/99/48/376229948.db2.gz LCMAGMIQQCALMV-JKSUJKDBSA-N 0 3 293.455 3.001 20 30 CGEDHN C[C@@H](NCCOc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000539496010 376315624 /nfs/dbraw/zinc/31/56/24/376315624.db2.gz BXMWVGKWLJYUSV-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN COc1ccccc1OCCN[C@@H](C)c1cccc(C#N)c1 ZINC000539499485 376315767 /nfs/dbraw/zinc/31/57/67/376315767.db2.gz LFNLDLZOQXVUFG-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C[C@H](NCC[S@](=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000338351929 376345302 /nfs/dbraw/zinc/34/53/02/376345302.db2.gz DEZFAOYVCAEYAY-QKKBWIMNSA-N 0 3 298.411 3.017 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC(C(C)C)CC1 ZINC000227771111 376409979 /nfs/dbraw/zinc/40/99/79/376409979.db2.gz FYWYGCWFFJEXHR-UHFFFAOYSA-N 0 3 272.392 3.435 20 30 CGEDHN CC1(C)CCN(Cc2ccccc2C#N)CCS1 ZINC000228087469 376426358 /nfs/dbraw/zinc/42/63/58/376426358.db2.gz NXUIZTYUPJJEOR-UHFFFAOYSA-N 0 3 260.406 3.276 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000542760456 376575291 /nfs/dbraw/zinc/57/52/91/376575291.db2.gz FDCPRDYHWFYUTN-GJZGRUSLSA-N 0 3 295.471 3.103 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000544143791 376709519 /nfs/dbraw/zinc/70/95/19/376709519.db2.gz MWYVUYBIKPCEHN-GOSISDBHSA-N 0 3 277.371 3.485 20 30 CGEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(C)C#N ZINC000339568898 376762100 /nfs/dbraw/zinc/76/21/00/376762100.db2.gz MWWSDKMUSDVQPX-ONGXEEELSA-N 0 3 279.409 3.254 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@H]2F)cc1OC ZINC000339585004 376764073 /nfs/dbraw/zinc/76/40/73/376764073.db2.gz RJJPWLFMXWYNPJ-ZIAGYGMSSA-N 0 3 279.355 3.240 20 30 CGEDHN C=CCC(C)(C)CNCc1cc2c(cc1OC)OCO2 ZINC000339418447 376753627 /nfs/dbraw/zinc/75/36/27/376753627.db2.gz ZVDCRRFSYIDTJJ-UHFFFAOYSA-N 0 3 277.364 3.116 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](CC3CC3)C2)c1F ZINC000339675236 376802025 /nfs/dbraw/zinc/80/20/25/376802025.db2.gz NSNIUKYMAGJVKY-ZDUSSCGKSA-N 0 3 258.340 3.319 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000555414000 376855948 /nfs/dbraw/zinc/85/59/48/376855948.db2.gz ACVOKWLEXSOPHZ-UKPHBRMFSA-N 0 3 285.366 3.495 20 30 CGEDHN C=CCC1(C(=O)N(CC)C[C@H]2CCCN2CC)CCC1 ZINC000555727791 376857873 /nfs/dbraw/zinc/85/78/73/376857873.db2.gz NYLHOOFOTPSVRV-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN CC#CCN(C)[C@@H](C)c1cccc(Br)c1 ZINC000555752012 376860558 /nfs/dbraw/zinc/86/05/58/376860558.db2.gz XDOSWQWIQNORDQ-NSHDSACASA-N 0 3 266.182 3.465 20 30 CGEDHN CC[C@H](C)CN(CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245764808 376902838 /nfs/dbraw/zinc/90/28/38/376902838.db2.gz JDLQGYHNDLKJGP-YOEHRIQHSA-N 0 3 299.418 3.032 20 30 CGEDHN C=CCCC(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000556851400 376889230 /nfs/dbraw/zinc/88/92/30/376889230.db2.gz PATMVJJUSZBXIA-CQSZACIVSA-N 0 3 294.826 3.068 20 30 CGEDHN C=CCc1cc(CN2CC[C@H](C)[C@@H]2C)cc(OC)c1O ZINC000246475090 377036665 /nfs/dbraw/zinc/03/66/65/377036665.db2.gz OQHPTTHSTXVPLB-STQMWFEESA-N 0 3 275.392 3.360 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@@H](SC)C1 ZINC000246577406 377055132 /nfs/dbraw/zinc/05/51/32/377055132.db2.gz LUSCONZUWQEQNB-LSDHHAIUSA-N 0 3 298.496 3.017 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@H]1CC(=O)c1cccs1 ZINC000246623250 377064633 /nfs/dbraw/zinc/06/46/33/377064633.db2.gz BYMJGNGHLQSENH-UONOGXRCSA-N 0 3 293.432 3.112 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cc[nH]c(=O)c1 ZINC000340451640 377067382 /nfs/dbraw/zinc/06/73/82/377067382.db2.gz SZYYZJJCRSHJSI-NWDGAFQWSA-N 0 3 267.332 3.071 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000247273328 377187739 /nfs/dbraw/zinc/18/77/39/377187739.db2.gz GUIDRUGRGVCACY-KKUMJFAQSA-N 0 3 263.381 3.380 20 30 CGEDHN C=CCC[C@H](O)CN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000247636760 377228898 /nfs/dbraw/zinc/22/88/98/377228898.db2.gz VGHOFARZSGAICO-XIRDDKMYSA-N 0 3 291.460 3.492 20 30 CGEDHN Cc1cc(C)c(C#N)c(NCCN2[C@H](C)CCC[C@@H]2C)n1 ZINC000341113401 377403423 /nfs/dbraw/zinc/40/34/23/377403423.db2.gz YUUBQMQWSGBZOJ-GASCZTMLSA-N 0 3 286.423 3.245 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1ccc(C(=O)OC)o1 ZINC000567200870 377503985 /nfs/dbraw/zinc/50/39/85/377503985.db2.gz AEVOXTQIJHSHSM-GFCCVEGCSA-N 0 3 265.353 3.291 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](O)CCC(C)C)cc1 ZINC000566129203 377493436 /nfs/dbraw/zinc/49/34/36/377493436.db2.gz AHIGGGLDAOGNNT-MRXNPFEDSA-N 0 3 277.408 3.138 20 30 CGEDHN Cc1cc(NC[C@@H](c2cccs2)N(C)C)cc(C#N)n1 ZINC000341348277 377522915 /nfs/dbraw/zinc/52/29/15/377522915.db2.gz RUHSFWQMGDFCQD-AWEZNQCLSA-N 0 3 286.404 3.038 20 30 CGEDHN CCc1cc(OC)ccc1CN1CCC(CC#N)CC1 ZINC000569989185 377532435 /nfs/dbraw/zinc/53/24/35/377532435.db2.gz TYIHSLKYMMSBLP-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN COC1CCC(N(C)Cc2cc(C#N)ccc2F)CC1 ZINC000265253222 190169624 /nfs/dbraw/zinc/16/96/24/190169624.db2.gz WWHATMDWWHQRNO-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN CC(C)(C)C[C@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000515864825 249222346 /nfs/dbraw/zinc/22/23/46/249222346.db2.gz OPSFLSSUKQBCCW-CYBMUJFWSA-N 0 3 257.381 3.211 20 30 CGEDHN COc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CC2)cc1OC ZINC000574137968 377623992 /nfs/dbraw/zinc/62/39/92/377623992.db2.gz LDGUNZYWGBGLQI-QWHCGFSZSA-N 0 3 288.391 3.089 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)CC[C@@H]1CCCO1 ZINC000342585011 377675202 /nfs/dbraw/zinc/67/52/02/377675202.db2.gz ITRAAEPVANGLSO-INIZCTEOSA-N 0 3 277.795 3.192 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000342642480 377706217 /nfs/dbraw/zinc/70/62/17/377706217.db2.gz XGEALMWARAQRHW-HNNXBMFYSA-N 0 3 290.363 3.009 20 30 CGEDHN CC(C)COC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342698731 377741185 /nfs/dbraw/zinc/74/11/85/377741185.db2.gz HNENMMOSPZNORC-UHFFFAOYSA-N 0 3 286.419 3.390 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000343493579 377995302 /nfs/dbraw/zinc/99/53/02/377995302.db2.gz CYFHTHMLDJEMKR-JSGCOSHPSA-N 0 3 259.349 3.329 20 30 CGEDHN Cc1cc(NCCCC#N)c2cc(OC(F)F)ccc2n1 ZINC000343590520 378031022 /nfs/dbraw/zinc/03/10/22/378031022.db2.gz IIOHSTCVXYOLCE-UHFFFAOYSA-N 0 3 291.301 3.282 20 30 CGEDHN C=C(CN[C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000268862639 378133632 /nfs/dbraw/zinc/13/36/32/378133632.db2.gz VUJGUUIKTXSZEG-INIZCTEOSA-N 0 3 267.376 3.101 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)s1 ZINC000579241017 378143333 /nfs/dbraw/zinc/14/33/33/378143333.db2.gz CKQGTHMTOKMJON-CYBMUJFWSA-N 0 3 269.373 3.004 20 30 CGEDHN COc1cncc(/C=C/CCN2CCC(C)(C#N)CC2)c1 ZINC000579832374 378198691 /nfs/dbraw/zinc/19/86/91/378198691.db2.gz ZQOUNXWUZQBTBG-HWKANZROSA-N 0 3 285.391 3.119 20 30 CGEDHN CCN1C[C@@H](C)N(c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000345161092 378209556 /nfs/dbraw/zinc/20/95/56/378209556.db2.gz JOOWTYOFUCOGSO-NWDGAFQWSA-N 0 3 277.799 3.131 20 30 CGEDHN COC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000268986597 378166042 /nfs/dbraw/zinc/16/60/42/378166042.db2.gz QUAGQQIZONXCSK-UHFFFAOYSA-N 0 3 272.392 3.099 20 30 CGEDHN CC(C)[C@H]1OCCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000269470597 378226004 /nfs/dbraw/zinc/22/60/04/378226004.db2.gz ZZFBQVITWRMYNT-DOTOQJQBSA-N 0 3 290.382 3.238 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](C)COC ZINC000582268587 378298909 /nfs/dbraw/zinc/29/89/09/378298909.db2.gz VNHJGFWVJDVZMZ-HNNXBMFYSA-N 0 3 279.428 3.125 20 30 CGEDHN CC[C@H](CC#N)NCC[C@H](C)OCc1ccccc1 ZINC000583820645 378350278 /nfs/dbraw/zinc/35/02/78/378350278.db2.gz LNIGBEJISJYUJU-GOEBONIOSA-N 0 3 260.381 3.264 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCOCC3CC3)CC2)cc1 ZINC000347961940 378741538 /nfs/dbraw/zinc/74/15/38/378741538.db2.gz SLWMPAJOCWSHQM-UHFFFAOYSA-N 0 3 282.387 3.074 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CCCCO1 ZINC000275112835 378938531 /nfs/dbraw/zinc/93/85/31/378938531.db2.gz WQOKJXDQKOOQRI-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccc(C#N)c(F)c1 ZINC000348333785 378914670 /nfs/dbraw/zinc/91/46/70/378914670.db2.gz OKDXJZFCWAIOML-VIRWGQHYSA-N 0 3 254.255 3.002 20 30 CGEDHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(C#N)c(F)c1 ZINC000348333779 378914771 /nfs/dbraw/zinc/91/47/71/378914771.db2.gz OKDXJZFCWAIOML-JWYUURKGSA-N 0 3 254.255 3.002 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNC[C@H]2CCSC2)cc1 ZINC000278564539 194046851 /nfs/dbraw/zinc/04/68/51/194046851.db2.gz WRHLNIBZBPIPII-CYBMUJFWSA-N 0 3 299.361 3.400 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1F ZINC000370681514 379052160 /nfs/dbraw/zinc/05/21/60/379052160.db2.gz BJQFIEJAXGDUBG-CQSZACIVSA-N 0 3 270.307 3.280 20 30 CGEDHN CCCN(CCc1ccccn1)Cc1cc(C#N)cs1 ZINC000349071678 379153099 /nfs/dbraw/zinc/15/30/99/379153099.db2.gz GTSQRLBVNWGBGJ-UHFFFAOYSA-N 0 3 285.416 3.469 20 30 CGEDHN CC[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000278771001 194148503 /nfs/dbraw/zinc/14/85/03/194148503.db2.gz PDXDJFSPRAFPRD-MSOLQXFVSA-N 0 3 298.361 3.472 20 30 CGEDHN CC[C@H](NCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000278846057 194180138 /nfs/dbraw/zinc/18/01/38/194180138.db2.gz VDLJICIDAOQYFR-HNNXBMFYSA-N 0 3 288.391 3.331 20 30 CGEDHN CC[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(C#N)cc1 ZINC000278289918 379336515 /nfs/dbraw/zinc/33/65/15/379336515.db2.gz QYGKXWPTSLJLJS-IAGOWNOFSA-N 0 3 297.402 3.495 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(OC(F)F)c2)C1 ZINC000349804409 379391729 /nfs/dbraw/zinc/39/17/29/379391729.db2.gz SFAOTEUKQROTPJ-CMPLNLGQSA-N 0 3 266.291 3.070 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](CC)c1cc(Cl)ccc1OC ZINC000349758904 379370471 /nfs/dbraw/zinc/37/04/71/379370471.db2.gz OATRGMBLORAURZ-OCCSQVGLSA-N 0 3 283.799 3.326 20 30 CGEDHN C=CCC[C@H](N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccco1 ZINC000375898131 379516789 /nfs/dbraw/zinc/51/67/89/379516789.db2.gz PCHZQESRFOZSKF-HLPPOEQASA-N 0 3 261.365 3.444 20 30 CGEDHN C=C(CC)CN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639919001 379642062 /nfs/dbraw/zinc/64/20/62/379642062.db2.gz PZKOXLONMWSVNM-ZDUSSCGKSA-N 0 3 273.298 3.295 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000267152834 190307307 /nfs/dbraw/zinc/30/73/07/190307307.db2.gz CSOPPOFPCXIISF-XJKSGUPXSA-N 0 3 268.385 3.341 20 30 CGEDHN C=CCCOCCN[C@@H](c1cccnc1)C1CCC1 ZINC000280451031 379709319 /nfs/dbraw/zinc/70/93/19/379709319.db2.gz DKKXIAKJZIOXMB-MRXNPFEDSA-N 0 3 260.381 3.105 20 30 CGEDHN C=CC[C@H](CC)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000281641279 379841769 /nfs/dbraw/zinc/84/17/69/379841769.db2.gz PAEANKOCJGLBFE-CABCVRRESA-N 0 3 295.448 3.102 20 30 CGEDHN C=CCCOCCN[C@H]1CCc2cc(F)c(OC)cc21 ZINC000281756780 379845459 /nfs/dbraw/zinc/84/54/59/379845459.db2.gz WDZIUDXGOCCAMF-HNNXBMFYSA-N 0 3 279.355 3.004 20 30 CGEDHN C=CC[C@@H](CC)NCc1cn2cc(Cl)ccc2n1 ZINC000281265605 379826167 /nfs/dbraw/zinc/82/61/67/379826167.db2.gz HEDUGAHJHBASLL-GFCCVEGCSA-N 0 3 263.772 3.432 20 30 CGEDHN Cc1cc(C)c(CN2CCC(F)(C#N)CC2)c(C)c1 ZINC000352469085 379827788 /nfs/dbraw/zinc/82/77/88/379827788.db2.gz VXMBNNMYAXYXQN-UHFFFAOYSA-N 0 3 260.356 3.440 20 30 CGEDHN C=C[C@@H](CO)NCc1ccc(F)c(-c2cccs2)c1 ZINC000352466220 379828316 /nfs/dbraw/zinc/82/83/16/379828316.db2.gz UWXZXXHQAYOBPE-LBPRGKRZSA-N 0 3 277.364 3.191 20 30 CGEDHN C[C@@H](NCc1nc(C#N)cs1)[C@@H](C)c1ccccc1 ZINC000352809743 379973940 /nfs/dbraw/zinc/97/39/40/379973940.db2.gz JCWPJWVZXCMOHP-VXGBXAGGSA-N 0 3 271.389 3.297 20 30 CGEDHN N#CCCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000399342190 379939276 /nfs/dbraw/zinc/93/92/76/379939276.db2.gz WAXSEJRQECYGFU-UHFFFAOYSA-N 0 3 253.349 3.074 20 30 CGEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000352848932 380002525 /nfs/dbraw/zinc/00/25/25/380002525.db2.gz MOEGUOZRUYMLNT-MRXNPFEDSA-N 0 3 299.349 3.212 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(SC)o1 ZINC000641752670 380079218 /nfs/dbraw/zinc/07/92/18/380079218.db2.gz LFVBAPKGPIBGIA-SMDDNHRTSA-N 0 3 267.394 3.072 20 30 CGEDHN N#CC1(CCN2CCC[C@@H](c3ncc[nH]3)C2)CCCCC1 ZINC000411390969 380142405 /nfs/dbraw/zinc/14/24/05/380142405.db2.gz PEMRMTUPBBXSQK-OAHLLOKOSA-N 0 3 286.423 3.453 20 30 CGEDHN CC[C@@H]1CN([C@@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522360 380149473 /nfs/dbraw/zinc/14/94/73/380149473.db2.gz ALGHUKKJVRDLPH-FUHWJXTLSA-N 0 3 285.435 3.275 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)cn2)CN1Cc1ccccc1 ZINC000268117792 190378136 /nfs/dbraw/zinc/37/81/36/190378136.db2.gz FFWQOAKVNKPKEE-RHSMWYFYSA-N 0 3 292.386 3.028 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccccc1N(C)C ZINC000414163417 380195557 /nfs/dbraw/zinc/19/55/57/380195557.db2.gz IOGPBJFSKIYYCO-ZDUSSCGKSA-N 0 3 259.397 3.343 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000411558956 380151089 /nfs/dbraw/zinc/15/10/89/380151089.db2.gz MSUFDCHEXMSMKE-YOEHRIQHSA-N 0 3 270.376 3.200 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cc(C)n(C)n1 ZINC000414529268 380302521 /nfs/dbraw/zinc/30/25/21/380302521.db2.gz CATIORRSUJQZFS-MRXNPFEDSA-N 0 3 269.392 3.006 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415667499 380512580 /nfs/dbraw/zinc/51/25/80/380512580.db2.gz AQZKZZSXUCRKGB-KBPBESRZSA-N 0 3 287.407 3.019 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)CCN1CCc2ccccc2C1 ZINC000416220057 380524721 /nfs/dbraw/zinc/52/47/21/380524721.db2.gz IXSMEPIZSFDYRN-SFHVURJKSA-N 0 3 298.430 3.002 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000645023053 380566815 /nfs/dbraw/zinc/56/68/15/380566815.db2.gz YFQAJGRJVOXZGG-UKRRQHHQSA-N 0 3 265.784 3.066 20 30 CGEDHN C=CCOCCNC(C)(C)c1ccc(Br)cc1 ZINC000645092898 380578151 /nfs/dbraw/zinc/57/81/51/380578151.db2.gz BJSXUJKFWSBZFF-UHFFFAOYSA-N 0 3 298.224 3.476 20 30 CGEDHN CO[C@@H](C)CN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356295383 380794846 /nfs/dbraw/zinc/79/48/46/380794846.db2.gz BNGFJMUKRKRQBD-JTQLQIEISA-N 0 3 286.297 3.044 20 30 CGEDHN Cc1noc(C)c1C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421370164 380909331 /nfs/dbraw/zinc/90/93/31/380909331.db2.gz WLYSEQKEKJUJIX-SNVBAGLBSA-N 0 3 287.338 3.023 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1nc(C)cnc1C)C(C)C ZINC000358258923 381298647 /nfs/dbraw/zinc/29/86/47/381298647.db2.gz SITWPRNGXQUADX-INIZCTEOSA-N 0 3 288.439 3.204 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000334804199 207105220 /nfs/dbraw/zinc/10/52/20/207105220.db2.gz LFZXQNJCQKBAJK-GDBMZVCRSA-N 0 3 290.794 3.213 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358314588 381304034 /nfs/dbraw/zinc/30/40/34/381304034.db2.gz FQBZGCIXEKUWDO-RYUDHWBXSA-N 0 3 273.380 3.196 20 30 CGEDHN C=C(CC)CN(CCCC(=O)OC)Cc1ccccc1 ZINC000358494464 381312108 /nfs/dbraw/zinc/31/21/08/381312108.db2.gz FURCGNMVAHXPPL-UHFFFAOYSA-N 0 3 275.392 3.408 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000358501398 381313606 /nfs/dbraw/zinc/31/36/06/381313606.db2.gz SVHMWECGXNCMIQ-UHFFFAOYSA-N 0 3 287.407 3.239 20 30 CGEDHN C=C(CC)C[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000358503629 381314331 /nfs/dbraw/zinc/31/43/31/381314331.db2.gz ZQERDEKLXQNKPQ-UHFFFAOYSA-N 0 3 288.391 3.009 20 30 CGEDHN COCCN(Cc1cccc(C#N)c1F)[C@@H]1CC[C@@H](C)C1 ZINC000362159180 381892153 /nfs/dbraw/zinc/89/21/53/381892153.db2.gz UTHCRTUKVLSMIP-CZUORRHYSA-N 0 3 290.382 3.334 20 30 CGEDHN C=CCN1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000363210668 382194626 /nfs/dbraw/zinc/19/46/26/382194626.db2.gz PRSZZKXBFNZKTF-LSDHHAIUSA-N 0 3 294.439 3.284 20 30 CGEDHN N#Cc1ccncc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000363531998 382230461 /nfs/dbraw/zinc/23/04/61/382230461.db2.gz DEECPTOMJLIWOL-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CCC[C@H](CC)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000369020612 382385213 /nfs/dbraw/zinc/38/52/13/382385213.db2.gz ZKHQOWKXKWWBRG-LSDHHAIUSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000369020612 382385218 /nfs/dbraw/zinc/38/52/18/382385218.db2.gz ZKHQOWKXKWWBRG-LSDHHAIUSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCC[C@H](CC)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000369020612 382385224 /nfs/dbraw/zinc/38/52/24/382385224.db2.gz ZKHQOWKXKWWBRG-LSDHHAIUSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCOCCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000310215568 542427148 /nfs/dbraw/zinc/42/71/48/542427148.db2.gz IPQBKQKELYLQQR-CQSZACIVSA-N 0 3 251.757 3.120 20 30 CGEDHN OC1CCC2(CC1)CCN(CC#Cc1ccccc1)CC2 ZINC000295615517 285245475 /nfs/dbraw/zinc/24/54/75/285245475.db2.gz DNNVKOZBTHIWGD-UHFFFAOYSA-N 0 3 283.415 3.055 20 30 CGEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000281456165 195248341 /nfs/dbraw/zinc/24/83/41/195248341.db2.gz APXOMUIWQJHDHV-ZDUSSCGKSA-N 0 3 296.370 3.426 20 30 CGEDHN COc1ccc(C#N)cc1CN([C@@H](C)C1CC1)C1CC1 ZINC000178914108 533267390 /nfs/dbraw/zinc/26/73/90/533267390.db2.gz JDWFRUGSKXRVHO-LBPRGKRZSA-N 0 3 270.376 3.330 20 30 CGEDHN COCC[C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000414187513 533307052 /nfs/dbraw/zinc/30/70/52/533307052.db2.gz DMJYYSFYDWRLCG-NWDGAFQWSA-N 0 3 264.344 3.021 20 30 CGEDHN C[C@@H](NCCN1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571631 533395646 /nfs/dbraw/zinc/39/56/46/533395646.db2.gz OWECOJXHNNMJBZ-ZIAGYGMSSA-N 0 3 289.398 3.080 20 30 CGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2ncsc2c1 ZINC000359669760 533439946 /nfs/dbraw/zinc/43/99/46/533439946.db2.gz BQLUCBHOPIAQAM-LLVKDONJSA-N 0 3 296.399 3.357 20 30 CGEDHN Cn1cc(CN2CCC[C@H]2c2ccccc2)cc1C#N ZINC000191204110 130201284 /nfs/dbraw/zinc/20/12/84/130201284.db2.gz GYJMGRKXOCQAOJ-KRWDZBQOSA-N 0 3 265.360 3.234 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191968138 130341722 /nfs/dbraw/zinc/34/17/22/130341722.db2.gz HCZOSIVBDPDHPK-QGZVFWFLSA-N 0 3 299.414 3.203 20 30 CGEDHN CCC(CC)CN(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000048970464 392029611 /nfs/dbraw/zinc/02/96/11/392029611.db2.gz FSTIPJJXBZUKOW-UHFFFAOYSA-N 0 3 287.407 3.255 20 30 CGEDHN CC(C)CN(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049442447 392047961 /nfs/dbraw/zinc/04/79/61/392047961.db2.gz IQEZCISGAOYZIE-NSHDSACASA-N 0 3 293.798 3.126 20 30 CGEDHN C[C@H](c1cccs1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000049726758 392058957 /nfs/dbraw/zinc/05/89/57/392058957.db2.gz LBUMSCOSIUMFRE-DOMZBBRYSA-N 0 3 286.400 3.346 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC000282039389 392274991 /nfs/dbraw/zinc/27/49/91/392274991.db2.gz QTNHQLIPMDLFON-IAGOWNOFSA-N 0 3 284.403 3.070 20 30 CGEDHN C=CCC[C@@H](NCCn1ccnc1C)c1ccco1 ZINC000285967122 392356809 /nfs/dbraw/zinc/35/68/09/392356809.db2.gz GXXJTRINDBMHDB-CQSZACIVSA-N 0 3 259.353 3.082 20 30 CGEDHN C=C(CC)CN[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000453358758 542681969 /nfs/dbraw/zinc/68/19/69/542681969.db2.gz MDJNZTZMUYLEKM-CQSZACIVSA-N 0 3 261.365 3.247 20 30 CGEDHN C#C[C@@H](NCc1ccc(Oc2cnccn2)cc1)C(C)C ZINC000289384677 392420821 /nfs/dbraw/zinc/42/08/21/392420821.db2.gz MVZKNNBCOUTYCT-MRXNPFEDSA-N 0 3 281.359 3.016 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000289693460 392430228 /nfs/dbraw/zinc/43/02/28/392430228.db2.gz IFFWRSSBUMTSAV-TZMCWYRMSA-N 0 3 263.381 3.061 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1cccc(Cl)c1 ZINC000121164399 392408876 /nfs/dbraw/zinc/40/88/76/392408876.db2.gz LCXSNUPCJWKMQH-AWEZNQCLSA-N 0 3 253.773 3.099 20 30 CGEDHN C=CC1CCN(Cc2cc(C(=O)OC)sc2C)CC1 ZINC000151352523 392485305 /nfs/dbraw/zinc/48/53/05/392485305.db2.gz LAZOQNGFJASECB-UHFFFAOYSA-N 0 3 279.405 3.241 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000292697829 392510079 /nfs/dbraw/zinc/51/00/79/392510079.db2.gz BZTGJFHRFHZUMX-CABCVRRESA-N 0 3 261.315 3.145 20 30 CGEDHN Cc1ccccc1N1CCN(CCCC(C)(C)C#N)CC1 ZINC000174810095 392646055 /nfs/dbraw/zinc/64/60/55/392646055.db2.gz HNIONAWVGSLPSJ-UHFFFAOYSA-N 0 3 285.435 3.447 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000334230802 392712028 /nfs/dbraw/zinc/71/20/28/392712028.db2.gz SKLVPISTCMXHKH-KDOFPFPSSA-N 0 3 290.366 3.320 20 30 CGEDHN CC(C#N)C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC000335084161 392770686 /nfs/dbraw/zinc/77/06/86/392770686.db2.gz NFTAFADDSTVKMP-OCCSQVGLSA-N 0 3 256.349 3.146 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000335862483 392822003 /nfs/dbraw/zinc/82/20/03/392822003.db2.gz JIZVJJKKPSUKEX-YGRLFVJLSA-N 0 3 278.302 3.178 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2ccnn2C)C1 ZINC000336451431 392856695 /nfs/dbraw/zinc/85/66/95/392856695.db2.gz FPTJRUDWQVQOIX-PBHICJAKSA-N 0 3 294.402 3.232 20 30 CGEDHN CCOc1ccc2c(c1)CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000336625672 392866039 /nfs/dbraw/zinc/86/60/39/392866039.db2.gz SCHQTFMVULIBOR-CJNGLKHVSA-N 0 3 270.376 3.136 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000338608359 392922950 /nfs/dbraw/zinc/92/29/50/392922950.db2.gz UEQMHQLGWKINDM-SFHVURJKSA-N 0 3 298.430 3.463 20 30 CGEDHN CCO[C@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000194465541 392923185 /nfs/dbraw/zinc/92/31/85/392923185.db2.gz OJNYLOWRFMRCJV-MRXNPFEDSA-N 0 3 286.400 3.487 20 30 CGEDHN N#CCCOCCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000339047313 392943982 /nfs/dbraw/zinc/94/39/82/392943982.db2.gz WVUAPGWYNYZWKJ-UHFFFAOYSA-N 0 3 290.794 3.359 20 30 CGEDHN C=CCOCCN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000339078298 392945288 /nfs/dbraw/zinc/94/52/88/392945288.db2.gz QBELGXLASGNZHQ-SWLSCSKDSA-N 0 3 283.799 3.208 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2CCOCCC#N)s1 ZINC000338998278 392939423 /nfs/dbraw/zinc/93/94/23/392939423.db2.gz GRVSJUQSGZQRMH-ZDUSSCGKSA-N 0 3 264.394 3.124 20 30 CGEDHN C=CCOCCN[C@@H](CC)c1ccccc1OCC ZINC000339070398 392945671 /nfs/dbraw/zinc/94/56/71/392945671.db2.gz MQASGEZMNXKFDQ-HNNXBMFYSA-N 0 3 263.381 3.329 20 30 CGEDHN Cn1nccc1C1=CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411714794 392986853 /nfs/dbraw/zinc/98/68/53/392986853.db2.gz AASIUOCUNXQAFP-UHFFFAOYSA-N 0 3 298.434 3.373 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000342819098 393008369 /nfs/dbraw/zinc/00/83/69/393008369.db2.gz XRYFNQAVBWIERP-QZTJIDSGSA-N 0 3 287.403 3.395 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000343144921 393019536 /nfs/dbraw/zinc/01/95/36/393019536.db2.gz XZNXBFZSBMMGAP-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN CC(C#N)C(=O)N[C@@](C)(Cc1ccccc1)c1ccccc1 ZINC000414054390 393037809 /nfs/dbraw/zinc/03/78/09/393037809.db2.gz MZQXKOYOBTVQIN-KXBFYZLASA-N 0 3 292.382 3.420 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cscc1Cl ZINC000648763036 393242086 /nfs/dbraw/zinc/24/20/86/393242086.db2.gz OJEZWSUJCXDHKP-NEPJUHHUSA-N 0 3 257.786 3.225 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccccc2)C(C)(C)C)C1=O ZINC000281908112 393368446 /nfs/dbraw/zinc/36/84/46/393368446.db2.gz GIFLWJGVWNWXPB-CVEARBPZSA-N 0 3 286.419 3.150 20 30 CGEDHN Cc1cc(CN[C@H](c2cnn(C)c2)C(C)(C)C)ccc1C#N ZINC000488171597 393465910 /nfs/dbraw/zinc/46/59/10/393465910.db2.gz PEKWYBQWVUQQIA-QGZVFWFLSA-N 0 3 296.418 3.477 20 30 CGEDHN C=C(C)[C@@H](NC[C@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000649587129 393503572 /nfs/dbraw/zinc/50/35/72/393503572.db2.gz BADDEURIOZQRKX-CZUORRHYSA-N 0 3 280.362 3.266 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)c2ccc(C#N)o2)c1 ZINC000429843217 393506042 /nfs/dbraw/zinc/50/60/42/393506042.db2.gz SMYIEALTUSOHBD-UHFFFAOYSA-N 0 3 297.358 3.245 20 30 CGEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(CC#N)CC1 ZINC000430071441 393517209 /nfs/dbraw/zinc/51/72/09/393517209.db2.gz NVBQYRUIMYXWJD-LCYFTJDESA-N 0 3 285.347 3.282 20 30 CGEDHN C=CC[C@H](C)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000358044847 393519158 /nfs/dbraw/zinc/51/91/58/393519158.db2.gz IJESVSZXEGUGGA-WDEREUQCSA-N 0 3 267.344 3.458 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](CC)c1ccccc1F ZINC000649739463 393568114 /nfs/dbraw/zinc/56/81/14/393568114.db2.gz WNSCXORDYIAIEP-WFASDCNBSA-N 0 3 251.345 3.194 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000443958824 393778184 /nfs/dbraw/zinc/77/81/84/393778184.db2.gz AFIFJENJIMKNRZ-GOSISDBHSA-N 0 3 280.371 3.344 20 30 CGEDHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1cccc(C#N)c1 ZINC000503856561 393908006 /nfs/dbraw/zinc/90/80/06/393908006.db2.gz NXYXNWTWZILONC-LERXQTSPSA-N 0 3 280.318 3.369 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCCC[C@H]2C)CCCC1 ZINC000449626103 393925535 /nfs/dbraw/zinc/92/55/35/393925535.db2.gz CTOOESOWIDHAGC-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN(Cc1ccc(O[C@@H](C)COC)cc1)C1CC1 ZINC000667982820 542953585 /nfs/dbraw/zinc/95/35/85/542953585.db2.gz RHAKEZOKCUBJOY-AWEZNQCLSA-N 0 3 275.392 3.251 20 30 CGEDHN COCC#CCN(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000672565825 543216956 /nfs/dbraw/zinc/21/69/56/543216956.db2.gz PVKNRHZGLMLKAK-CYBMUJFWSA-N 0 3 299.336 3.218 20 30 CGEDHN C[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(C#N)cc1 ZINC000020122203 397604798 /nfs/dbraw/zinc/60/47/98/397604798.db2.gz RJRUBESZANQIHE-BBRMVZONSA-N 0 3 283.375 3.105 20 30 CGEDHN CC[C@@H]1CN(CC#CCOC)CC[C@@H]1c1ccccc1 ZINC000677133034 543435668 /nfs/dbraw/zinc/43/56/68/543435668.db2.gz DUBYOPKPXQPKNZ-AEFFLSMTSA-N 0 3 271.404 3.152 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000678743673 543552712 /nfs/dbraw/zinc/55/27/12/543552712.db2.gz GWLCAEFVJPFJOE-DZGCQCFKSA-N 0 3 293.407 3.070 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1cccc(Cl)c1 ZINC000678736549 543551595 /nfs/dbraw/zinc/55/15/95/543551595.db2.gz XEXNJIMSJWSBAH-KBPBESRZSA-N 0 3 253.773 3.318 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000678791048 543559361 /nfs/dbraw/zinc/55/93/61/543559361.db2.gz JUQOWWPWBAGUQY-CABCVRRESA-N 0 3 267.376 3.325 20 30 CGEDHN CO[C@]1(C)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000279299484 286161084 /nfs/dbraw/zinc/16/10/84/286161084.db2.gz LZRQSYWGZSNHMX-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN N#Cc1ccccc1CN1CCc2ccccc2CC1 ZINC000071202986 286992688 /nfs/dbraw/zinc/99/26/88/286992688.db2.gz CVHWZFWGRFUJMX-UHFFFAOYSA-N 0 3 262.356 3.159 20 30 CGEDHN CC(C)N(Cc1ccc(F)cc1C#N)C1CCOCC1 ZINC000077323308 165119697 /nfs/dbraw/zinc/11/96/97/165119697.db2.gz QITVXESHTCLPFS-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)[C@@H](CC)CN1C(C)=O ZINC000350473153 287193143 /nfs/dbraw/zinc/19/31/43/287193143.db2.gz FLJQVNBDUNDQGO-JKSUJKDBSA-N 0 3 293.455 3.038 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)c2ccncc2)cc1 ZINC000020121686 171001039 /nfs/dbraw/zinc/00/10/39/171001039.db2.gz FFHJXSGZYSBNRS-CQSZACIVSA-N 0 3 268.360 3.497 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000035256315 172086398 /nfs/dbraw/zinc/08/63/98/172086398.db2.gz GVNOGIAOJYLDEU-ZDUSSCGKSA-N 0 3 261.328 3.281 20 30 CGEDHN N#CCCCCNCc1coc(-c2ccccc2)n1 ZINC000344285443 225017741 /nfs/dbraw/zinc/01/77/41/225017741.db2.gz RKADKPVRBAFVQE-UHFFFAOYSA-N 0 3 255.321 3.125 20 30 CGEDHN CCC#C[C@H](C)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000679324268 543619203 /nfs/dbraw/zinc/61/92/03/543619203.db2.gz TUXLVDXOZKRPEP-LBPRGKRZSA-N 0 3 299.340 3.341 20 30 CGEDHN CCC#C[C@H](C)N1CCC(c2ccc(C)nc2)CC1 ZINC000679952599 543669943 /nfs/dbraw/zinc/66/99/43/543669943.db2.gz BQSDORMRZVDUIO-HNNXBMFYSA-N 0 3 256.393 3.371 20 30 CGEDHN CCCCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000680617712 543719814 /nfs/dbraw/zinc/71/98/14/543719814.db2.gz ZBSWBAOANCYSPQ-HNNXBMFYSA-N 0 3 279.343 3.309 20 30 CGEDHN CC(C#N)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000334626579 225167249 /nfs/dbraw/zinc/16/72/49/225167249.db2.gz SBSBBPMYRXXHAX-QMMMGPOBSA-N 0 3 283.158 3.258 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000680405882 543709438 /nfs/dbraw/zinc/70/94/38/543709438.db2.gz NSCBYZZPPOCLBL-OCCSQVGLSA-N 0 3 289.375 3.419 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cc2ccccc2s1 ZINC000680420373 543710279 /nfs/dbraw/zinc/71/02/79/543710279.db2.gz YCAKVJBALVLOOU-YPMHNXCESA-N 0 3 261.390 3.489 20 30 CGEDHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(C)C#N ZINC000334914892 225364010 /nfs/dbraw/zinc/36/40/10/225364010.db2.gz NOIUYRLBRLVZFP-MWLCHTKSSA-N 0 3 256.305 3.078 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000346471830 225809409 /nfs/dbraw/zinc/80/94/09/225809409.db2.gz BSXWUOHNADXZOE-GFCCVEGCSA-N 0 3 260.337 3.101 20 30 CGEDHN C=CCOCCN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000684557270 544013168 /nfs/dbraw/zinc/01/31/68/544013168.db2.gz QLOVXBYJDJWGOC-KRWDZBQOSA-N 0 3 297.402 3.042 20 30 CGEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(C)C#N)o1 ZINC000347734192 226233734 /nfs/dbraw/zinc/23/37/34/226233734.db2.gz NYJOWOHSGGJRIN-LOWVWBTDSA-N 0 3 260.337 3.047 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCCOc2ccc(F)cc2F)C1 ZINC000192930821 227390933 /nfs/dbraw/zinc/39/09/33/227390933.db2.gz MEEWGJHIQUDAHL-YPMHNXCESA-N 0 3 280.318 3.016 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000336573549 227127267 /nfs/dbraw/zinc/12/72/67/227127267.db2.gz OGACKRMHNNVNKF-LLVKDONJSA-N 0 3 276.767 3.385 20 30 CGEDHN Cc1cccc2nc(CN[C@H]3CCC[C@@H](C#N)C3)[nH]c21 ZINC000336628793 227220851 /nfs/dbraw/zinc/22/08/51/227220851.db2.gz MZTNNEKPDOQSOC-OLZOCXBDSA-N 0 3 268.364 3.043 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Br)c(F)c2)C1 ZINC000336625950 227218670 /nfs/dbraw/zinc/21/86/70/227218670.db2.gz QGEFGCXOLLHFSC-KOLCDFICSA-N 0 3 297.171 3.370 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OCC3CC3)nc2)C1 ZINC000192790595 227289063 /nfs/dbraw/zinc/28/90/63/227289063.db2.gz WSMHXBKNVDFFSV-HOCLYGCPSA-N 0 3 285.391 3.042 20 30 CGEDHN C[C@H](CNCc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000352834327 227311302 /nfs/dbraw/zinc/31/13/02/227311302.db2.gz LEEXMFDTFRDPJM-SNVBAGLBSA-N 0 3 275.352 3.047 20 30 CGEDHN C=CCC1(NC(=O)Nc2ccc3c(c2)CNC3)CCCC1 ZINC000659023437 418958430 /nfs/dbraw/zinc/95/84/30/418958430.db2.gz WQLKLWYHSWGFEX-UHFFFAOYSA-N 0 3 285.391 3.300 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC[C@H]2CCCC)nn1 ZINC000653615543 419060908 /nfs/dbraw/zinc/06/09/08/419060908.db2.gz MODIZUXEAJJFQR-ZBFHGGJFSA-N 0 3 276.428 3.303 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000660446975 419146630 /nfs/dbraw/zinc/14/66/30/419146630.db2.gz VSMXDDNKAODRSY-QZTJIDSGSA-N 0 3 289.419 3.116 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CCO[C@H](C)C1 ZINC000660539859 419157988 /nfs/dbraw/zinc/15/79/88/419157988.db2.gz PAQAWDFQNWYLQG-NVXWUHKLSA-N 0 3 291.439 3.410 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(C)(C)CC)CC1 ZINC000660596238 419166885 /nfs/dbraw/zinc/16/68/85/419166885.db2.gz AXGQVHFSYXWJBO-AWEZNQCLSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000661378912 419255213 /nfs/dbraw/zinc/25/52/13/419255213.db2.gz OGTCVLRJJBDSBQ-HZPDHXFCSA-N 0 3 278.440 3.066 20 30 CGEDHN C[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)[C@@H]1CCO ZINC000661502021 419267948 /nfs/dbraw/zinc/26/79/48/419267948.db2.gz YXTYEELBUPQNEO-RHSMWYFYSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCCn1cc(CNCC[C@@H](C)CC(C)(C)C)nn1 ZINC000657442283 419279415 /nfs/dbraw/zinc/27/94/15/419279415.db2.gz REQOCDULPFLNRE-CQSZACIVSA-N 0 3 278.444 3.406 20 30 CGEDHN C=CCN(CCc1nc2ccccc2c(=O)[nH]1)C(C)(C)C ZINC000661760317 419296136 /nfs/dbraw/zinc/29/61/36/419296136.db2.gz QREWBTMHUWPMPI-UHFFFAOYSA-N 0 3 285.391 3.164 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc2n(n1)CCC2 ZINC000657530428 419299494 /nfs/dbraw/zinc/29/94/94/419299494.db2.gz PIXAKNQSFIXVHT-CZUORRHYSA-N 0 3 259.397 3.054 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nccc(OC)c2F)C1 ZINC000657674570 419327255 /nfs/dbraw/zinc/32/72/55/419327255.db2.gz RSVMWUVZMOFLCP-NEPJUHHUSA-N 0 3 264.344 3.064 20 30 CGEDHN C=CCOCCCNCc1ccccc1OC(F)(F)F ZINC000657658413 419320688 /nfs/dbraw/zinc/32/06/88/419320688.db2.gz WYBYNLKIYVUHBA-UHFFFAOYSA-N 0 3 289.297 3.268 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCOCC(F)(F)C(F)F ZINC000662089629 419334346 /nfs/dbraw/zinc/33/43/46/419334346.db2.gz DASZUBOOZOHKAA-PHIMTYICSA-N 0 3 281.293 3.086 20 30 CGEDHN C=CCCC(C)(C)NCc1nccn1CC(F)(F)F ZINC000657805679 419360854 /nfs/dbraw/zinc/36/08/54/419360854.db2.gz SUFOUBRPFDEOLL-UHFFFAOYSA-N 0 3 275.318 3.280 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1cncc(Br)c1 ZINC000657906437 419430836 /nfs/dbraw/zinc/43/08/36/419430836.db2.gz YBCPMAZXXPSUGT-RKDXNWHRSA-N 0 3 255.159 3.069 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1c(CC)nn(C)c1OC ZINC000657908538 419431297 /nfs/dbraw/zinc/43/12/97/419431297.db2.gz IUJQEZWKSNMVCO-BBRMVZONSA-N 0 3 291.439 3.216 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657927779 419444130 /nfs/dbraw/zinc/44/41/30/419444130.db2.gz RMQJNXJUQKYHNH-NSHDSACASA-N 0 3 270.323 3.263 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000662953653 419510481 /nfs/dbraw/zinc/51/04/81/419510481.db2.gz OEGUBJRNPPYXLJ-DZGCQCFKSA-N 0 3 274.408 3.184 20 30 CGEDHN C=CCC[C@@H](NC[C@H](CO)CC1CC1)c1ccco1 ZINC000658257295 419712381 /nfs/dbraw/zinc/71/23/81/419712381.db2.gz ZIHBLRPURUEHNP-HUUCEWRRSA-N 0 3 263.381 3.285 20 30 CGEDHN CC(C)N(CCCCC#N)CC(=O)Nc1ccc(F)cc1 ZINC000071016271 260271747 /nfs/dbraw/zinc/27/17/47/260271747.db2.gz CPUIJCGUXSBBNZ-UHFFFAOYSA-N 0 3 291.370 3.168 20 30 CGEDHN CCN(CCCSCC#N)Cc1cccs1 ZINC000080626037 260317500 /nfs/dbraw/zinc/31/75/00/260317500.db2.gz RBPPISYBRDSUGZ-UHFFFAOYSA-N 0 3 254.424 3.217 20 30 CGEDHN C=CCCOCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000154801219 261095120 /nfs/dbraw/zinc/09/51/20/261095120.db2.gz FDCLGMRMAHVGMY-NBVRZTHBSA-N 0 3 290.407 3.250 20 30 CGEDHN CN1CCN(CC(C)(C)CCC#N)[C@@H](c2ccccc2)C1 ZINC000155205740 261099390 /nfs/dbraw/zinc/09/93/90/261099390.db2.gz HFTDUFZABBKWRV-QGZVFWFLSA-N 0 3 285.435 3.305 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000248907240 261215265 /nfs/dbraw/zinc/21/52/65/261215265.db2.gz UYYPBGHCECNBHM-GUTXKFCHSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCOc1ccccc1CN(C)C[C@H]1CCCC[C@@H]1O ZINC000497196412 262098840 /nfs/dbraw/zinc/09/88/40/262098840.db2.gz ABGBLSKFWMGROL-WBVHZDCISA-N 0 3 289.419 3.234 20 30 CGEDHN C=CCCOCCNCc1ccc(OC(F)(F)F)cc1 ZINC000120829481 262237694 /nfs/dbraw/zinc/23/76/94/262237694.db2.gz BOKNVTYQDRNOMX-UHFFFAOYSA-N 0 3 289.297 3.268 20 30 CGEDHN C=CCC[C@H](C(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000365003231 262267140 /nfs/dbraw/zinc/26/71/40/262267140.db2.gz TVAOBYPOXUOBDG-SFHVURJKSA-N 0 3 298.430 3.043 20 30 CGEDHN C=CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000187274060 262395584 /nfs/dbraw/zinc/39/55/84/262395584.db2.gz DHSUBOSCLGMNFN-UHFFFAOYSA-N 0 3 299.393 3.469 20 30 CGEDHN C=CCCCCNCc1c(OC)cc(OC)cc1OC ZINC000336832862 262399069 /nfs/dbraw/zinc/39/90/69/262399069.db2.gz FXTHNICLAJPIAI-UHFFFAOYSA-N 0 3 279.380 3.158 20 30 CGEDHN COc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1F ZINC000411447895 262693651 /nfs/dbraw/zinc/69/36/51/262693651.db2.gz BSBVVALBHZPGPH-WDEREUQCSA-N 0 3 250.317 3.177 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCO2 ZINC000414170386 262813465 /nfs/dbraw/zinc/81/34/65/262813465.db2.gz SUFHMHPVJMTXAB-NSHDSACASA-N 0 3 260.337 3.006 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)ccc1Cl ZINC000451677353 262899731 /nfs/dbraw/zinc/89/97/31/262899731.db2.gz BXALSPFFYZRSOK-CABCVRRESA-N 0 3 281.783 3.172 20 30 CGEDHN CCn1cc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000271457202 262996533 /nfs/dbraw/zinc/99/65/33/262996533.db2.gz JNAUPPAPXIFQGG-KGLIPLIRSA-N 0 3 298.390 3.217 20 30 CGEDHN CC[C@@H](NCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000272011083 263001188 /nfs/dbraw/zinc/00/11/88/263001188.db2.gz KJAUVBWVPUKZRU-CQSZACIVSA-N 0 3 288.391 3.438 20 30 CGEDHN CCOc1c(Cl)cc(CNCCCC#N)cc1OC ZINC000273014465 263011012 /nfs/dbraw/zinc/01/10/12/263011012.db2.gz CRWXSHVLAMUDGG-UHFFFAOYSA-N 0 3 282.771 3.141 20 30 CGEDHN Cc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000274569027 263026537 /nfs/dbraw/zinc/02/65/37/263026537.db2.gz AOXPIRJMMLYJFL-SCRDCRAPSA-N 0 3 273.336 3.246 20 30 CGEDHN C#CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000278768418 263050931 /nfs/dbraw/zinc/05/09/31/263050931.db2.gz PBCGUUKHIQDKPD-PVAVHDDUSA-N 0 3 252.361 3.423 20 30 CGEDHN N#CC1(CCCN(Cc2cccnc2)C2CC2)CCOCC1 ZINC000282022089 263073692 /nfs/dbraw/zinc/07/36/92/263073692.db2.gz PIHMOHOFHVWNBB-UHFFFAOYSA-N 0 3 299.418 3.147 20 30 CGEDHN CN1CCN(CCCC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000284797326 263087955 /nfs/dbraw/zinc/08/79/55/263087955.db2.gz PEDWCXLRHSDVTR-SFHVURJKSA-N 0 3 299.462 3.175 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CCO)c2ccc(Cl)cc2)C1 ZINC000287057613 263100785 /nfs/dbraw/zinc/10/07/85/263100785.db2.gz NFXYARUNSUBXJC-WQVCFCJDSA-N 0 3 292.810 3.435 20 30 CGEDHN CC1(C)CN(CCCSCC#N)Cc2ccccc2O1 ZINC000289142842 263107798 /nfs/dbraw/zinc/10/77/98/263107798.db2.gz YTGHJLBDGPJIPI-UHFFFAOYSA-N 0 3 290.432 3.306 20 30 CGEDHN C[C@]1(CN[C@H]2CCC[C@@H](C#N)C2)OCCc2sccc21 ZINC000289735776 263111729 /nfs/dbraw/zinc/11/17/29/263111729.db2.gz KGUYKPYLROPTGY-DVOMOZLQSA-N 0 3 290.432 3.208 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000293836471 263150708 /nfs/dbraw/zinc/15/07/08/263150708.db2.gz QESQVJMQQYXFJP-HYVNUMGLSA-N 0 3 269.392 3.255 20 30 CGEDHN CC[C@@H](NCCOCCC#N)c1ccccc1OC(F)F ZINC000293873243 263151570 /nfs/dbraw/zinc/15/15/70/263151570.db2.gz SUNBKUXDGNLVOQ-CYBMUJFWSA-N 0 3 298.333 3.259 20 30 CGEDHN C=C(C)[C@H](NC[C@H](O)CCC)c1ccc(F)c(F)c1 ZINC000295631925 263180607 /nfs/dbraw/zinc/18/06/07/263180607.db2.gz BITLKYNDHOPBTM-DOMZBBRYSA-N 0 3 269.335 3.333 20 30 CGEDHN CN(CCC(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296459643 263192023 /nfs/dbraw/zinc/19/20/23/263192023.db2.gz WZYCIGDVRLYSNL-AWEZNQCLSA-N 0 3 280.799 3.245 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)[C@H]1CC[C@H](C#N)C1 ZINC000297716326 263208803 /nfs/dbraw/zinc/20/88/03/263208803.db2.gz BFKPFKJHEUONOT-RDJZCZTQSA-N 0 3 265.360 3.239 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(OCc2ccccc2)CC1 ZINC000298004412 263213771 /nfs/dbraw/zinc/21/37/71/263213771.db2.gz YGAVDEBUVLOMEL-HNNXBMFYSA-N 0 3 272.392 3.360 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000298044875 263214252 /nfs/dbraw/zinc/21/42/52/263214252.db2.gz DEOSNNQTFXTTPB-GOEBONIOSA-N 0 3 257.381 3.255 20 30 CGEDHN C[C@H](CCC#N)N1Cc2ccccc2OC(C)(C)C1 ZINC000298499859 263220613 /nfs/dbraw/zinc/22/06/13/263220613.db2.gz KBFBRVGPPVKVNS-CYBMUJFWSA-N 0 3 258.365 3.352 20 30 CGEDHN Cc1cnc(C2CCN([C@@H](C)CCC#N)CC2)s1 ZINC000298593318 263222611 /nfs/dbraw/zinc/22/26/11/263222611.db2.gz RXCIAYXZXXJNMT-NSHDSACASA-N 0 3 263.410 3.323 20 30 CGEDHN CC[C@H](N[C@H](C)CCC#N)c1ccc2c(c1)OCCO2 ZINC000299725180 263253890 /nfs/dbraw/zinc/25/38/90/263253890.db2.gz UGGCTAKESASPFL-OCCSQVGLSA-N 0 3 274.364 3.191 20 30 CGEDHN C=CCSCCNCc1ccc(Br)cc1 ZINC000163896707 263260467 /nfs/dbraw/zinc/26/04/67/263260467.db2.gz KZDUBJMBOIKTIA-UHFFFAOYSA-N 0 3 286.238 3.458 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(Cl)cc1Cl ZINC000341278864 263329914 /nfs/dbraw/zinc/32/99/14/263329914.db2.gz GKDSYSXFRFBREM-JTQLQIEISA-N 0 3 274.191 3.268 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000341885263 263363418 /nfs/dbraw/zinc/36/34/18/263363418.db2.gz LUERGYQZUMLCIJ-GMXVVIOVSA-N 0 3 283.462 3.448 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccccc1Cl ZINC000341890198 263364058 /nfs/dbraw/zinc/36/40/58/263364058.db2.gz SRMCSLWKPHLIGN-NWDGAFQWSA-N 0 3 253.773 3.175 20 30 CGEDHN COCC1(C#N)CCN(Cc2c(C)cccc2C)CC1 ZINC000341995015 263373090 /nfs/dbraw/zinc/37/30/90/263373090.db2.gz QYQFVFNCWFBCAH-UHFFFAOYSA-N 0 3 272.392 3.056 20 30 CGEDHN CCN(CCC#N)C(=O)CN(CC(C)(C)C)CC(C)(C)C ZINC000342145019 263398496 /nfs/dbraw/zinc/39/84/96/263398496.db2.gz CRUGAXDMHBXPKL-UHFFFAOYSA-N 0 3 295.471 3.143 20 30 CGEDHN CCOc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc(Cl)c1[O-] ZINC000425359199 264140187 /nfs/dbraw/zinc/14/01/87/264140187.db2.gz VNNQERLEMFLSCE-CMPLNLGQSA-N 0 3 294.782 3.226 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000132606812 264392810 /nfs/dbraw/zinc/39/28/10/264392810.db2.gz UGWMZINGQWJJGN-UHFFFAOYSA-N 0 3 292.810 3.064 20 30 CGEDHN C=CCSCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000180459675 264411020 /nfs/dbraw/zinc/41/10/20/264411020.db2.gz APGGOOVXHQWLDJ-GFCCVEGCSA-N 0 3 253.415 3.034 20 30 CGEDHN C#CCSCCN[C@@H](C)c1sc(CC)nc1C ZINC000181092926 264436962 /nfs/dbraw/zinc/43/69/62/264436962.db2.gz AOPCWNTWSILYFH-JTQLQIEISA-N 0 3 268.451 3.031 20 30 CGEDHN C#CCSCCN[C@H](C)c1cnc2ccsc2c1 ZINC000181095425 264437217 /nfs/dbraw/zinc/43/72/17/264437217.db2.gz PFIPMLVOJOEFCX-LLVKDONJSA-N 0 3 276.430 3.313 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(F)c(F)cc1F ZINC000280768787 264461388 /nfs/dbraw/zinc/46/13/88/264461388.db2.gz ZJCOBSGXBDGNTM-MEBBXXQBSA-N 0 3 285.309 3.175 20 30 CGEDHN CCN(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000034674409 270027703 /nfs/dbraw/zinc/02/77/03/270027703.db2.gz LEOBLZWQIOBZLD-UHFFFAOYSA-N 0 3 280.371 3.459 20 30 CGEDHN Cc1ccccc1C[C@@H](CO)N[C@H](C)c1cccc(C#N)c1 ZINC000191572979 270075294 /nfs/dbraw/zinc/07/52/94/270075294.db2.gz GOMGUCREWDYSIR-BEFAXECRSA-N 0 3 294.398 3.121 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)cc1F ZINC000191936749 270076931 /nfs/dbraw/zinc/07/69/31/270076931.db2.gz YRLVUTDMYHKQKS-MSOLQXFVSA-N 0 3 296.345 3.317 20 30 CGEDHN CC(C)(C)[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000521062946 270100073 /nfs/dbraw/zinc/10/00/73/270100073.db2.gz DOFUCUXTQDQPPO-AWEZNQCLSA-N 0 3 257.381 3.211 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC(c2c(F)cccc2F)CC1 ZINC000362578428 267010677 /nfs/dbraw/zinc/01/06/77/267010677.db2.gz DUWAZESUEBQIEE-CQSZACIVSA-N 0 3 295.373 3.471 20 30 CGEDHN CCCCCCCN1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000362925927 267062608 /nfs/dbraw/zinc/06/26/08/267062608.db2.gz MWPSYWGFMARFSQ-UHFFFAOYSA-N 0 3 291.439 3.133 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1F)CC(F)(F)F ZINC000396879591 267162381 /nfs/dbraw/zinc/16/23/81/267162381.db2.gz BEFJAJXXCCNFTM-VIFPVBQESA-N 0 3 274.261 3.375 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)cc2)c(C)c1 ZINC000532212269 270214328 /nfs/dbraw/zinc/21/43/28/270214328.db2.gz XQZRPRJFGVVRLQ-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN COC[C@@H](C)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356050572 274041791 /nfs/dbraw/zinc/04/17/91/274041791.db2.gz FXWUAAXQMAIASK-SNVBAGLBSA-N 0 3 286.297 3.044 20 30 CGEDHN CSc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353260917 274187798 /nfs/dbraw/zinc/18/77/98/274187798.db2.gz UJHNJZLTYCSYSM-INIZCTEOSA-N 0 3 295.411 3.452 20 30 CGEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccnn1C ZINC000334906961 274526650 /nfs/dbraw/zinc/52/66/50/274526650.db2.gz QKEZWXDQNYKZIN-LRDDRELGSA-N 0 3 280.375 3.020 20 30 CGEDHN CC[C@H](C)[C@H](CNCc1ccc(C#N)c(C)c1)OC ZINC000449403868 276562070 /nfs/dbraw/zinc/56/20/70/276562070.db2.gz RTQUXPNSIWIADU-LRDDRELGSA-N 0 3 260.381 3.017 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000343656207 278132801 /nfs/dbraw/zinc/13/28/01/278132801.db2.gz JGCDTSLLLMGBJP-XCBNKYQSSA-N 0 3 290.672 3.219 20 30 CGEDHN C[C@H](CC(F)(F)F)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353630229 279249265 /nfs/dbraw/zinc/24/92/65/279249265.db2.gz IRYRVICTIFUOSH-RNCFNFMXSA-N 0 3 268.282 3.476 20 30 CGEDHN C[C@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(C#N)c(F)c1 ZINC000540768043 288670589 /nfs/dbraw/zinc/67/05/89/288670589.db2.gz SBTMSDAYTOEHSJ-LRDDRELGSA-N 0 3 296.345 3.352 20 30 CGEDHN Cc1ccccc1[C@H]([C@H](C)NC[C@@H](C#N)CCC#N)N(C)C ZINC000563003591 327742031 /nfs/dbraw/zinc/74/20/31/327742031.db2.gz UQNVTIGUXKEIMO-JZXOWHBKSA-N 0 3 298.434 3.019 20 30 CGEDHN C=CCN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000308862630 327789542 /nfs/dbraw/zinc/78/95/42/327789542.db2.gz VSZISYJZSKOOON-GFCCVEGCSA-N 0 3 267.170 3.071 20 30 CGEDHN C=CCOc1ccccc1CNCCOc1ccccc1 ZINC000048298283 328048111 /nfs/dbraw/zinc/04/81/11/328048111.db2.gz RKXAMWHXLSYQCY-UHFFFAOYSA-N 0 3 283.371 3.420 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000340038240 328116681 /nfs/dbraw/zinc/11/66/81/328116681.db2.gz VBLWCOBXXYEXOI-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN N#CCCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000273020331 328202773 /nfs/dbraw/zinc/20/27/73/328202773.db2.gz DLESVKGIIZKIHR-UHFFFAOYSA-N 0 3 258.296 3.479 20 30 CGEDHN COc1cccc(C2(N[C@@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000278637246 328228879 /nfs/dbraw/zinc/22/88/79/328228879.db2.gz HICVKGIBCDOXIS-UKRRQHHQSA-N 0 3 270.376 3.356 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000573492996 322391265 /nfs/dbraw/zinc/39/12/65/322391265.db2.gz ASIGILUCTUDNOD-UKRRQHHQSA-N 0 3 285.347 3.231 20 30 CGEDHN C=CCOc1ccc(CN[C@H](CC)c2cnn(C)c2)cc1 ZINC000353861084 328560869 /nfs/dbraw/zinc/56/08/69/328560869.db2.gz ZNJIEEZMLSCRRR-QGZVFWFLSA-N 0 3 285.391 3.226 20 30 CGEDHN C=CCC[C@@H](NC[C@@H](CO)Cc1ccco1)c1ccco1 ZINC000556859297 326973656 /nfs/dbraw/zinc/97/36/56/326973656.db2.gz SEFCFWKDVAEAMW-GOEBONIOSA-N 0 3 289.375 3.321 20 30 CGEDHN C=CCNC(=O)CNC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000538206594 327232078 /nfs/dbraw/zinc/23/20/78/327232078.db2.gz PDRBSXFKUPJKGQ-UHFFFAOYSA-N 0 3 288.435 3.111 20 30 CGEDHN C[C@H](NCC1CCC(C#N)CC1)c1cn2ccccc2n1 ZINC000559920347 327271874 /nfs/dbraw/zinc/27/18/74/327271874.db2.gz VQWYQSMSYPYFFI-NFOMZHRRSA-N 0 3 282.391 3.315 20 30 CGEDHN N#CC1(CNC2CCC(OC3CCCC3)CC2)CC1 ZINC000560146038 327287049 /nfs/dbraw/zinc/28/70/49/327287049.db2.gz NKOBAHJAHOEGMN-UHFFFAOYSA-N 0 3 262.397 3.150 20 30 CGEDHN COc1ccccc1[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000119936434 327295844 /nfs/dbraw/zinc/29/58/44/327295844.db2.gz BIQRLOPXPAPPAV-CQSZACIVSA-N 0 3 272.392 3.424 20 30 CGEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cn2)C1 ZINC000583358511 327318334 /nfs/dbraw/zinc/31/83/34/327318334.db2.gz WIDPLZAOTKFBIN-GJZGRUSLSA-N 0 3 275.421 3.059 20 30 CGEDHN C=C(C)CN1CCC(Nc2nccc(C)c2Cl)CC1 ZINC000561209241 327375692 /nfs/dbraw/zinc/37/56/92/327375692.db2.gz UJSRMKILFBNSMG-UHFFFAOYSA-N 0 3 279.815 3.496 20 30 CGEDHN C[C@H](NCCOCC1CCC1)c1cccc(C#N)c1 ZINC000583667662 328825023 /nfs/dbraw/zinc/82/50/23/328825023.db2.gz GGAXDUCDJXWGDV-ZDUSSCGKSA-N 0 3 258.365 3.026 20 30 CGEDHN C=CC[C@@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000173655309 329149539 /nfs/dbraw/zinc/14/95/39/329149539.db2.gz QOBWUKBXNIKMAW-GFCCVEGCSA-N 0 3 286.375 3.189 20 30 CGEDHN C=CCC[C@H](CO)NCc1cc(Cl)ccc1Cl ZINC000320989990 329151428 /nfs/dbraw/zinc/15/14/28/329151428.db2.gz IYLYKIDKTGTWIC-GFCCVEGCSA-N 0 3 274.191 3.410 20 30 CGEDHN N#CCCCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175958434 329172911 /nfs/dbraw/zinc/17/29/11/329172911.db2.gz LLWSPLCPMANXDS-QGZVFWFLSA-N 0 3 272.392 3.014 20 30 CGEDHN CC[C@H]1CN(c2ccccc2)CCN1CCCCC#N ZINC000184019496 329252305 /nfs/dbraw/zinc/25/23/05/329252305.db2.gz RKHMPVNWYPVNJW-INIZCTEOSA-N 0 3 271.408 3.281 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000184095341 329256197 /nfs/dbraw/zinc/25/61/97/329256197.db2.gz SUGIAEJHDQAHEY-BHYGNILZSA-N 0 3 271.408 3.104 20 30 CGEDHN CC(C)[C@H]1CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000395336609 329282798 /nfs/dbraw/zinc/28/27/98/329282798.db2.gz WUWXGZZHNPYGKO-OLZOCXBDSA-N 0 3 263.410 3.319 20 30 CGEDHN N#CCCC1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000583021235 329298477 /nfs/dbraw/zinc/29/84/77/329298477.db2.gz BEZYZAIPOYGPNH-UHFFFAOYSA-N 0 3 295.386 3.456 20 30 CGEDHN CCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185783117 329331785 /nfs/dbraw/zinc/33/17/85/329331785.db2.gz UUGPIPGAOQOPOT-HIFRSBDPSA-N 0 3 273.380 3.042 20 30 CGEDHN COc1cccc([C@@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000177378152 533710124 /nfs/dbraw/zinc/71/01/24/533710124.db2.gz GRFUOOVTDJKSEV-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN C=CCCCCN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000278864808 330120603 /nfs/dbraw/zinc/12/06/03/330120603.db2.gz WNXLPZWXCODKNL-NSHDSACASA-N 0 3 251.326 3.073 20 30 CGEDHN CCCCC1CCC(CNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424098148 330228689 /nfs/dbraw/zinc/22/86/89/330228689.db2.gz CDXQIBUYKGKZIR-GPANFISMSA-N 0 3 293.455 3.120 20 30 CGEDHN C=CCC[C@H](CO)N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527906132 330290126 /nfs/dbraw/zinc/29/01/26/330290126.db2.gz LEWIGKZDMLEURZ-ABAIWWIYSA-N 0 3 283.774 3.383 20 30 CGEDHN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424171949 330311867 /nfs/dbraw/zinc/31/18/67/330311867.db2.gz MMVXWEMFEREECO-KFWWJZLASA-N 0 3 293.455 3.119 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(Cl)ccc1F ZINC000424175676 330316150 /nfs/dbraw/zinc/31/61/50/330316150.db2.gz QMDQPBAHKHPXPY-HZMBPMFUSA-N 0 3 269.747 3.160 20 30 CGEDHN CCCCN1CCCC[C@@H]1CNC(=O)C(C#N)(CC)CC ZINC000528325080 330318743 /nfs/dbraw/zinc/31/87/43/330318743.db2.gz GQQVJFZQENELRP-OAHLLOKOSA-N 0 3 293.455 3.087 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2CCCCCC2)CC1 ZINC000106035303 330331206 /nfs/dbraw/zinc/33/12/06/330331206.db2.gz GECVTXYNBQQVHR-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCn1cc(CN[C@@H](C)C[C@@H](C)CC(C)C)nn1 ZINC000424296673 330336286 /nfs/dbraw/zinc/33/62/86/330336286.db2.gz PEXOJNRMHKALFR-KBPBESRZSA-N 0 3 264.417 3.015 20 30 CGEDHN C=CCn1cc(CN[C@H](CCC)CCc2ccccc2)nn1 ZINC000424299679 330336939 /nfs/dbraw/zinc/33/69/39/330336939.db2.gz VYDORCFEOHBPFR-QGZVFWFLSA-N 0 3 298.434 3.355 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)c(F)c(F)c1 ZINC000424327126 330341547 /nfs/dbraw/zinc/34/15/47/330341547.db2.gz MPAKVNCFMGTXGS-ATZCPNFKSA-N 0 3 268.282 3.447 20 30 CGEDHN COc1cc(C)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424337684 330343774 /nfs/dbraw/zinc/34/37/74/330343774.db2.gz ZSMGSSVWKRKTAU-HZSPNIEDSA-N 0 3 288.391 3.355 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(F)cc1N(C)C ZINC000090451105 330392473 /nfs/dbraw/zinc/39/24/73/330392473.db2.gz PHLZRZRJHVGSAG-CYBMUJFWSA-N 0 3 280.387 3.135 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000090451407 330392701 /nfs/dbraw/zinc/39/27/01/330392701.db2.gz MXFKSHZQGKRNEZ-AWEZNQCLSA-N 0 3 293.407 3.256 20 30 CGEDHN Cc1ccc([C@H](C)NCC2(CC#N)CC2)cc1[N+](=O)[O-] ZINC000430761465 330573550 /nfs/dbraw/zinc/57/35/50/330573550.db2.gz MGAPVOQHXSMSLZ-LBPRGKRZSA-N 0 3 273.336 3.248 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000432112627 330592989 /nfs/dbraw/zinc/59/29/89/330592989.db2.gz ZNMCPHGUXNHTDD-HNNXBMFYSA-N 0 3 295.471 3.008 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(CC)CCC1)C(C)C ZINC000434268839 330637643 /nfs/dbraw/zinc/63/76/43/330637643.db2.gz XXAYPWGNDFJBGC-MRXNPFEDSA-N 0 3 292.467 3.382 20 30 CGEDHN N#CC1CCC(CNCc2ncc(Cl)s2)CC1 ZINC000441356887 330766632 /nfs/dbraw/zinc/76/66/32/330766632.db2.gz RQGJVUSUYSMDFL-UHFFFAOYSA-N 0 3 269.801 3.216 20 30 CGEDHN CCN(CC)[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccsc1 ZINC000442720433 330780573 /nfs/dbraw/zinc/78/05/73/330780573.db2.gz RKQIMSQDLHAUAX-VNQPRFMTSA-N 0 3 291.464 3.413 20 30 CGEDHN C=C(C)CCNCc1cn(-c2ccccc2)nc1C ZINC000449479972 330929247 /nfs/dbraw/zinc/92/92/47/330929247.db2.gz WXKQZKBUYFZEFP-UHFFFAOYSA-N 0 3 255.365 3.237 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn(-c2ccccc2)nc1C ZINC000449549106 330935758 /nfs/dbraw/zinc/93/57/58/330935758.db2.gz UUNALKSFZNOPFS-MSOLQXFVSA-N 0 3 297.402 3.004 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccccc1Cl ZINC000449548668 330935877 /nfs/dbraw/zinc/93/58/77/330935877.db2.gz PNOXKNRKKPKIPM-KGLIPLIRSA-N 0 3 251.757 3.163 20 30 CGEDHN C=CCC[C@H](CO)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449697443 330944525 /nfs/dbraw/zinc/94/45/25/330944525.db2.gz KZHILXBJLILLST-PWSUYJOCSA-N 0 3 285.309 3.008 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cnc(-c2ccsc2)s1 ZINC000449700042 330944806 /nfs/dbraw/zinc/94/48/06/330944806.db2.gz SCTWEKSQYJULMH-LBPRGKRZSA-N 0 3 294.445 3.288 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@H]2OCC)c1 ZINC000449759648 330948363 /nfs/dbraw/zinc/94/83/63/330948363.db2.gz ZEVHIHJSXMMAOR-IAGOWNOFSA-N 0 3 275.392 3.299 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCC#Cc1ccccc1Cl ZINC000451680186 331038857 /nfs/dbraw/zinc/03/88/57/331038857.db2.gz ITSBRVPBWCDXMN-CVEARBPZSA-N 0 3 275.779 3.015 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CCC)CCCC1 ZINC000451723361 331040107 /nfs/dbraw/zinc/04/01/07/331040107.db2.gz ZJYFPDLGSSBFOS-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C[C@@H]1CCC(C)(C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000452014941 331050428 /nfs/dbraw/zinc/05/04/28/331050428.db2.gz UVCWFDBIEDNCMB-OAHLLOKOSA-N 0 3 299.418 3.196 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452108020 331054688 /nfs/dbraw/zinc/05/46/88/331054688.db2.gz CQQSJAMWCXJQLC-SJORKVTESA-N 0 3 298.430 3.345 20 30 CGEDHN CC(F)(F)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000452605089 331070126 /nfs/dbraw/zinc/07/01/26/331070126.db2.gz VPVABRLBWZJKAR-CQSZACIVSA-N 0 3 294.345 3.311 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000453343176 331119518 /nfs/dbraw/zinc/11/95/18/331119518.db2.gz DVIIVOZTGLGFIF-XYPHTWIQSA-N 0 3 275.392 3.468 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2ccccc2n1 ZINC000453352831 331120995 /nfs/dbraw/zinc/12/09/95/331120995.db2.gz KCRQBDJOPYKRJL-JLZZUVOBSA-N 0 3 268.360 3.229 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(OC(F)F)c1 ZINC000453356750 331121637 /nfs/dbraw/zinc/12/16/37/331121637.db2.gz MLPKFSGZDCTLSK-HONMWMINSA-N 0 3 283.318 3.282 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1nccc2ccccc21 ZINC000453376473 331124954 /nfs/dbraw/zinc/12/49/54/331124954.db2.gz XFFKEYLIJJYGTJ-HIFRSBDPSA-N 0 3 270.376 3.213 20 30 CGEDHN C=CCC[C@@H](NCCc1cnc(C)cn1)c1ccco1 ZINC000453396873 331128039 /nfs/dbraw/zinc/12/80/39/331128039.db2.gz IXQXUWHNFHXXSG-OAHLLOKOSA-N 0 3 271.364 3.218 20 30 CGEDHN CC(C)[C@H](C(=O)Nc1cccc(CC#N)c1)N1CCCCC1 ZINC000456733181 331199540 /nfs/dbraw/zinc/19/95/40/331199540.db2.gz NXDDXQUILPUGIS-QGZVFWFLSA-N 0 3 299.418 3.202 20 30 CGEDHN N#CCc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000456744294 331199721 /nfs/dbraw/zinc/19/97/21/331199721.db2.gz GRFRTJWASYHBNK-QGZVFWFLSA-N 0 3 297.402 3.098 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000456775318 331202890 /nfs/dbraw/zinc/20/28/90/331202890.db2.gz NSTZDNNCODVKDB-RHSMWYFYSA-N 0 3 284.403 3.454 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CCCC1 ZINC000457090235 331212095 /nfs/dbraw/zinc/21/20/95/331212095.db2.gz LVUPUDZZFDJYNS-OAHLLOKOSA-N 0 3 278.440 3.064 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc(OCC(F)F)cc1 ZINC000459684305 331294292 /nfs/dbraw/zinc/29/42/92/331294292.db2.gz BZJQQRWUDIJLLK-UHFFFAOYSA-N 0 3 282.334 3.360 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000464649595 331364196 /nfs/dbraw/zinc/36/41/96/331364196.db2.gz VWNTWUWFYAVYDT-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@H]3COCC[C@H]32)cc1 ZINC000464849835 331371054 /nfs/dbraw/zinc/37/10/54/331371054.db2.gz JEDXENQNJQVAFG-DOTOQJQBSA-N 0 3 289.806 3.192 20 30 CGEDHN CC#CCN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481393997 331805860 /nfs/dbraw/zinc/80/58/60/331805860.db2.gz TXLPYIFBAWVNTI-RISCZKNCSA-N 0 3 251.757 3.029 20 30 CGEDHN C[C@H]1C[C@H]1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000488568621 332018069 /nfs/dbraw/zinc/01/80/69/332018069.db2.gz BIJPJLAUWYVKOE-AAEUAGOBSA-N 0 3 267.294 3.303 20 30 CGEDHN C=C[C@H]1CCCCN1CCc1ccc2c(c1)CCO2 ZINC000489474965 332054881 /nfs/dbraw/zinc/05/48/81/332054881.db2.gz LKUROSNCZITAMC-INIZCTEOSA-N 0 3 257.377 3.205 20 30 CGEDHN C#CCN(Cc1cnc2c(c1)c(C)nn2C)C1CCCCC1 ZINC000490899668 332127427 /nfs/dbraw/zinc/12/74/27/332127427.db2.gz POPBKSPBXISBHS-UHFFFAOYSA-N 0 3 296.418 3.045 20 30 CGEDHN C#C[C@@H](CC)NC/C(C)=C/c1ccccc1COC ZINC000491125997 332153922 /nfs/dbraw/zinc/15/39/22/332153922.db2.gz JNSZDCBFFNJSTH-WKOYGUFESA-N 0 3 257.377 3.238 20 30 CGEDHN C#CC(C)(C)N(C)CCCc1nc(-c2cccs2)no1 ZINC000491210744 332167252 /nfs/dbraw/zinc/16/72/52/332167252.db2.gz YEFJYOAGZYBPCG-UHFFFAOYSA-N 0 3 289.404 3.074 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@H](CC)CCCC)CC1 ZINC000172211238 335097453 /nfs/dbraw/zinc/09/74/53/335097453.db2.gz GNLOUOPXDAGOAM-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000491677629 332282582 /nfs/dbraw/zinc/28/25/82/332282582.db2.gz QZJFIBJMVDDQIB-VZAMPYOESA-N 0 3 261.340 3.046 20 30 CGEDHN C#C[C@H](NC1CCC(COC)CC1)c1ccc(F)cc1 ZINC000491725665 332309807 /nfs/dbraw/zinc/30/98/07/332309807.db2.gz IIHUPFDXYYTTAJ-IMRCBTMISA-N 0 3 275.367 3.295 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OCc2ccncc2)cc1 ZINC000491818567 332368983 /nfs/dbraw/zinc/36/89/83/332368983.db2.gz QVFFWAUNKICYPS-KRWDZBQOSA-N 0 3 280.371 3.162 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CC)C[C@H](C)CC)CC1 ZINC000178666906 333076600 /nfs/dbraw/zinc/07/66/00/333076600.db2.gz OOGLONGTXVONIC-OAHLLOKOSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000336809339 335120141 /nfs/dbraw/zinc/12/01/41/335120141.db2.gz UZFHBZFWRIOVRB-NSHDSACASA-N 0 3 271.307 3.141 20 30 CGEDHN C(#Cc1ccccc1)CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000192042411 333228793 /nfs/dbraw/zinc/22/87/93/333228793.db2.gz YXGVYDGMOOXYGS-IBGZPJMESA-N 0 3 283.415 3.462 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](C)SC ZINC000128035499 333640578 /nfs/dbraw/zinc/64/05/78/333640578.db2.gz FUKCBHOGPLQUHP-LBPRGKRZSA-N 0 3 251.395 3.093 20 30 CGEDHN FC(F)(F)Oc1ccc(C#CCNC2(C3CC3)CC2)cc1 ZINC000543453673 333876050 /nfs/dbraw/zinc/87/60/50/333876050.db2.gz AZRJWIKPXOIIJB-UHFFFAOYSA-N 0 3 295.304 3.469 20 30 CGEDHN C[C@H](C#N)CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000543623549 333885413 /nfs/dbraw/zinc/88/54/13/333885413.db2.gz HMWVWFGACAZHJE-ODIFPOPNSA-N 0 3 267.376 3.140 20 30 CGEDHN C=CCN(CCc1ccccn1)Cc1ccccc1 ZINC000075655541 334048167 /nfs/dbraw/zinc/04/81/67/334048167.db2.gz JQQWVPUIUWNWPT-UHFFFAOYSA-N 0 3 252.361 3.312 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)[C@H](CO)C(C)(C)C ZINC000134445646 334090686 /nfs/dbraw/zinc/09/06/86/334090686.db2.gz WPTUUNXOALJGAK-OAHLLOKOSA-N 0 3 279.811 3.030 20 30 CGEDHN C=C(C)CN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548924358 334180466 /nfs/dbraw/zinc/18/04/66/334180466.db2.gz ICKSVICHULBQAN-UHFFFAOYSA-N 0 3 274.383 3.229 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC000245512213 334199057 /nfs/dbraw/zinc/19/90/57/334199057.db2.gz NDEYYTDPXZBYQI-WKILWMFISA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N(CC)C[C@H](CC)c1ccccc1 ZINC000249481831 334334536 /nfs/dbraw/zinc/33/45/36/334334536.db2.gz XBNUKKOZEINMTB-CVEARBPZSA-N 0 3 288.435 3.193 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000576870061 335258154 /nfs/dbraw/zinc/25/81/54/335258154.db2.gz KMOMQQXLNBVVPL-SJLPKXTDSA-N 0 3 287.378 3.068 20 30 CGEDHN C=CCCCCN1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000577340325 335340349 /nfs/dbraw/zinc/34/03/49/335340349.db2.gz YPSVWHUWRYGLEV-HOTGVXAUSA-N 0 3 266.429 3.064 20 30 CGEDHN CC1(C)C[C@H](NCc2cc(C#N)cs2)C(C)(C)O1 ZINC000180369162 335577175 /nfs/dbraw/zinc/57/71/75/335577175.db2.gz FPECRYVMHLLOBD-LBPRGKRZSA-N 0 3 264.394 3.055 20 30 CGEDHN C=CC1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000579794887 335885571 /nfs/dbraw/zinc/88/55/71/335885571.db2.gz BJXGRXOJAATLRW-UHFFFAOYSA-N 0 3 281.403 3.329 20 30 CGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCCC#N ZINC000185636908 335954530 /nfs/dbraw/zinc/95/45/30/335954530.db2.gz HVJQXLORGGLFKP-SECBINFHSA-N 0 3 288.317 3.017 20 30 CGEDHN C=CCN(CCOC)Cc1cccc(Br)c1 ZINC000195000001 336042523 /nfs/dbraw/zinc/04/25/23/336042523.db2.gz VIMCOXHWQLCGPF-UHFFFAOYSA-N 0 3 284.197 3.084 20 30 CGEDHN C=CC(C)(C)CN[C@@H](C)c1nc2ccccc2n1C ZINC000384836356 336132408 /nfs/dbraw/zinc/13/24/08/336132408.db2.gz GZDIXEXUYBCWPR-LBPRGKRZSA-N 0 3 257.381 3.436 20 30 CGEDHN CC(C(=O)N(CCC#N)c1ccc(F)cc1)C(F)(F)F ZINC000581877491 336156806 /nfs/dbraw/zinc/15/68/06/336156806.db2.gz WQGMAAITJWADBW-VIFPVBQESA-N 0 3 288.244 3.271 20 30 CGEDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)NCC1CCCCC1 ZINC000330260872 534016682 /nfs/dbraw/zinc/01/66/82/534016682.db2.gz ORIOGHKPOBVFEV-WOSRLPQWSA-N 0 3 282.428 3.069 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cnccc2C#N)C1 ZINC000359485870 534109643 /nfs/dbraw/zinc/10/96/43/534109643.db2.gz HSHLLEGIIHRDQM-YOEHRIQHSA-N 0 3 292.386 3.201 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000352244090 534283761 /nfs/dbraw/zinc/28/37/61/534283761.db2.gz MLVMZDRELIZTTF-ABAIWWIYSA-N 0 3 299.761 3.100 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(Cl)c(Cl)c1 ZINC000184283631 519117164 /nfs/dbraw/zinc/11/71/64/519117164.db2.gz JCBJORYZNPPAPG-SNVBAGLBSA-N 0 3 260.164 3.020 20 30 CGEDHN N#CCCCNCc1ccccc1OCC(F)(F)F ZINC000344313212 534613716 /nfs/dbraw/zinc/61/37/16/534613716.db2.gz YABPIOXJFISUTE-UHFFFAOYSA-N 0 3 272.270 3.021 20 30 CGEDHN N#Cc1ccc2ncc(CN[C@@H]3C[C@@H]3C3CCCCC3)n2c1 ZINC000360017484 534800070 /nfs/dbraw/zinc/80/00/70/534800070.db2.gz DANXWCZOVZUAQF-IAGOWNOFSA-N 0 3 294.402 3.264 20 30 CGEDHN C=CCN(CCOc1cccc(C#N)c1)CCc1ccco1 ZINC000352721738 526307943 /nfs/dbraw/zinc/30/79/43/526307943.db2.gz WVZZDSQAELEYNV-UHFFFAOYSA-N 0 3 296.370 3.261 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc(C#N)c1 ZINC000352700625 526327792 /nfs/dbraw/zinc/32/77/92/526327792.db2.gz UHBQMHSZUVEYHK-UHFFFAOYSA-N 0 3 266.344 3.382 20 30 CGEDHN C=C(C)CNCc1ccccc1OCc1ccncc1 ZINC000352856857 526625334 /nfs/dbraw/zinc/62/53/34/526625334.db2.gz HQSAXIMTQQLQCP-UHFFFAOYSA-N 0 3 268.360 3.326 20 30 CGEDHN C=CC[C@H](CO)CNCc1cscc1C(F)(F)F ZINC000352805970 527187590 /nfs/dbraw/zinc/18/75/90/527187590.db2.gz YVCRFDHOKKTLKZ-VIFPVBQESA-N 0 3 279.327 3.041 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cc(C(=O)OCC)co1 ZINC000354578781 527271837 /nfs/dbraw/zinc/27/18/37/527271837.db2.gz SJLZWYIBNHKRGJ-GFCCVEGCSA-N 0 3 265.353 3.291 20 30 CGEDHN C=CCC[C@H](NC[C@@](C)(O)C(C)C)c1ccco1 ZINC000353519607 527485975 /nfs/dbraw/zinc/48/59/75/527485975.db2.gz MYZFFTYTENQWBW-DZGCQCFKSA-N 0 3 251.370 3.284 20 30 CGEDHN C=CCC[C@H](N[C@H]1CC[C@@H](C(=O)OC)C1)c1ccco1 ZINC000353601114 527488775 /nfs/dbraw/zinc/48/87/75/527488775.db2.gz AOHIYOHWRIEEGU-RDBSUJKOSA-N 0 3 277.364 3.218 20 30 CGEDHN CC(C)CC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540514 527850351 /nfs/dbraw/zinc/85/03/51/527850351.db2.gz VOOKSILSJGCVPH-YOEHRIQHSA-N 0 3 274.408 3.348 20 30 CGEDHN CCOC1CC2(C1)CCN(Cc1ccc(C#N)c(F)c1)C2 ZINC000367598085 528532251 /nfs/dbraw/zinc/53/22/51/528532251.db2.gz UXWKZRWMZFXZNR-UHFFFAOYSA-N 0 3 288.366 3.088 20 30 CGEDHN CC1(C#N)CCC(NCc2noc3c2CCCC3)CC1 ZINC000336221485 528833342 /nfs/dbraw/zinc/83/33/42/528833342.db2.gz LCFDFRFDIHTDNW-UHFFFAOYSA-N 0 3 273.380 3.115 20 30 CGEDHN CCN1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358570662 529015432 /nfs/dbraw/zinc/01/54/32/529015432.db2.gz NOBSFAZPBQDPIY-HIFRSBDPSA-N 0 3 289.398 3.222 20 30 CGEDHN CN(C)c1ccc(C=NNCCCOc2ccccc2)cc1 ZINC000729148083 571879083 /nfs/dbraw/zinc/87/90/83/571879083.db2.gz RQBQENUNPMIFSM-UHFFFAOYSA-N 0 3 297.402 3.145 20 30 CGEDHN C[C@@H]1C[C@H](C)N(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000740859860 571886346 /nfs/dbraw/zinc/88/63/46/571886346.db2.gz NQDKONKUUYTIEM-KGLIPLIRSA-N 0 3 280.375 3.110 20 30 CGEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000744028068 572698093 /nfs/dbraw/zinc/69/80/93/572698093.db2.gz FLFWSUDZKHZHLW-JSGCOSHPSA-N 0 3 296.326 3.039 20 30 CGEDHN CCN(CC)Cc1cc(Cl)ccc1OCC#N ZINC000735306563 572714106 /nfs/dbraw/zinc/71/41/06/572714106.db2.gz PKEGNDIKQGRYMZ-UHFFFAOYSA-N 0 3 252.745 3.084 20 30 CGEDHN CC[C@@H]1C[C@H](C)CN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744443223 572754135 /nfs/dbraw/zinc/75/41/35/572754135.db2.gz IJQDBRFQDXDFIQ-WMLDXEAASA-N 0 3 294.402 3.500 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000736673036 572804693 /nfs/dbraw/zinc/80/46/93/572804693.db2.gz TUTADDWJMSJKGY-GFCCVEGCSA-N 0 3 281.359 3.034 20 30 CGEDHN Cc1cccc2c1CCN(CCCSCC#N)C2 ZINC000745942265 572841121 /nfs/dbraw/zinc/84/11/21/572841121.db2.gz GCENZHGQPKSDHR-UHFFFAOYSA-N 0 3 260.406 3.000 20 30 CGEDHN Cc1cc(F)ccc1[C@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000747820373 572950694 /nfs/dbraw/zinc/95/06/94/572950694.db2.gz BVFGOZIRXXGHGQ-FZKQIMNGSA-N 0 3 298.361 3.390 20 30 CGEDHN CCC(CC)NN=C(C)c1ccc(N2CCCC2)cc1O ZINC000748251019 572970781 /nfs/dbraw/zinc/97/07/81/572970781.db2.gz GSFBUPOWKROJNN-UHFFFAOYSA-N 0 3 289.423 3.495 20 30 CGEDHN C#CCN(Cc1ccc(OC)c(C#N)c1)C1CCCCC1 ZINC000749514897 573015119 /nfs/dbraw/zinc/01/51/19/573015119.db2.gz NIXWEDDVOPKDCS-UHFFFAOYSA-N 0 3 282.387 3.335 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819734826 607087613 /nfs/dbraw/zinc/08/76/13/607087613.db2.gz UVUUDDOVFTZBHK-SWLSCSKDSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734826 607087614 /nfs/dbraw/zinc/08/76/14/607087614.db2.gz UVUUDDOVFTZBHK-SWLSCSKDSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894243 608464390 /nfs/dbraw/zinc/46/43/90/608464390.db2.gz LHVQRHRCRTVBQZ-STQMWFEESA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894243 608464392 /nfs/dbraw/zinc/46/43/92/608464392.db2.gz LHVQRHRCRTVBQZ-STQMWFEESA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000823894791 608707910 /nfs/dbraw/zinc/70/79/10/608707910.db2.gz XFMYWBJRAYUHSV-UHFFFAOYSA-N 0 3 291.424 3.106 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000823894791 608707911 /nfs/dbraw/zinc/70/79/11/608707911.db2.gz XFMYWBJRAYUHSV-UHFFFAOYSA-N 0 3 291.424 3.106 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000823894791 608707912 /nfs/dbraw/zinc/70/79/12/608707912.db2.gz XFMYWBJRAYUHSV-UHFFFAOYSA-N 0 3 291.424 3.106 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000823894791 608707913 /nfs/dbraw/zinc/70/79/13/608707913.db2.gz XFMYWBJRAYUHSV-UHFFFAOYSA-N 0 3 291.424 3.106 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972765359 613338429 /nfs/dbraw/zinc/33/84/29/613338429.db2.gz IZBPCPINXNJTQC-MRXNPFEDSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC000972536310 613628211 /nfs/dbraw/zinc/62/82/11/613628211.db2.gz KJVSEDBFIPUVKB-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC000982136755 613681495 /nfs/dbraw/zinc/68/14/95/613681495.db2.gz XWHWFUNHLNBQEP-UHFFFAOYSA-N 0 3 298.430 3.027 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000969037056 613684200 /nfs/dbraw/zinc/68/42/00/613684200.db2.gz ADSAAUUVKRTDBX-BRWVUGGUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000940632548 613742087 /nfs/dbraw/zinc/74/20/87/613742087.db2.gz KRSGWOWRFSYIKB-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000947997985 613752542 /nfs/dbraw/zinc/75/25/42/613752542.db2.gz HFXCZLXITWJCKK-WDEREUQCSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H](C)C1 ZINC000945332701 613756682 /nfs/dbraw/zinc/75/66/82/613756682.db2.gz FVMRBIMTBANUES-DZGCQCFKSA-N 0 3 290.407 3.029 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000944653099 613790741 /nfs/dbraw/zinc/79/07/41/613790741.db2.gz KQTZAMUUEXKPNB-QWRGUYRKSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2csc(C)c2C)C[C@H]1C ZINC000947343040 613799132 /nfs/dbraw/zinc/79/91/32/613799132.db2.gz NKCTXSOMXIKKID-RISCZKNCSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2csc(C)c2C)C[C@@H]1C ZINC000947343039 613799157 /nfs/dbraw/zinc/79/91/57/613799157.db2.gz NKCTXSOMXIKKID-FZMZJTMJSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CCCC1 ZINC000960242472 613871049 /nfs/dbraw/zinc/87/10/49/613871049.db2.gz QLWWGRASAKVKCE-IEBWSBKVSA-N 0 3 298.430 3.125 20 30 CGEDHN C=CCSCCNCc1cc(Cl)ccc1OC ZINC000222056824 618114934 /nfs/dbraw/zinc/11/49/34/618114934.db2.gz IEBQACBGZXPBFN-UHFFFAOYSA-N 0 3 271.813 3.357 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CCC1 ZINC000933302831 618197198 /nfs/dbraw/zinc/19/71/98/618197198.db2.gz IUUJCYZFFLLVFD-MRXNPFEDSA-N 0 3 298.430 3.474 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933818308 618336106 /nfs/dbraw/zinc/33/61/06/618336106.db2.gz HOGJKHZNAVUNKM-GOSISDBHSA-N 0 3 282.387 3.194 20 30 CGEDHN CSCc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000891852622 618340405 /nfs/dbraw/zinc/34/04/05/618340405.db2.gz OUNJGKLXZMZWFC-UHFFFAOYSA-N 0 3 260.406 3.285 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCOCC1 ZINC000179386611 618780653 /nfs/dbraw/zinc/78/06/53/618780653.db2.gz FCFIFDKNAAWEBY-YPMHNXCESA-N 0 3 298.342 3.067 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC001020325834 618979743 /nfs/dbraw/zinc/97/97/43/618979743.db2.gz HXTPVUFVVNRPGZ-TUVASFSCSA-N 0 3 298.858 3.192 20 30 CGEDHN C#C[C@H](C)NCc1cccc(OCc2ccccc2)c1 ZINC000309915322 619060398 /nfs/dbraw/zinc/06/03/98/619060398.db2.gz UDZCJFHRXYANBR-HNNXBMFYSA-N 0 3 265.356 3.377 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000893607711 619236132 /nfs/dbraw/zinc/23/61/32/619236132.db2.gz ZUNCRWDMAPQMOV-AGIUHOORSA-N 0 3 252.402 3.250 20 30 CGEDHN Cc1cc(F)ncc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000894103604 619374860 /nfs/dbraw/zinc/37/48/60/619374860.db2.gz URKVRMFOPQXMNH-MRXNPFEDSA-N 0 3 281.334 3.178 20 30 CGEDHN C[C@]1(CNCC#Cc2ccccc2)OCCc2sccc21 ZINC000894544459 619569695 /nfs/dbraw/zinc/56/96/95/619569695.db2.gz GIUKFEATPIPYTC-GOSISDBHSA-N 0 3 297.423 3.177 20 30 CGEDHN CC(C)[C@H]1N(CC#Cc2ccccc2)CC12CCOCC2 ZINC000894919279 619682826 /nfs/dbraw/zinc/68/28/26/619682826.db2.gz HAOVMILCSOTLQM-GOSISDBHSA-N 0 3 283.415 3.175 20 30 CGEDHN C[C@H]1CC2(CN1Cc1csc(C#N)c1)CCOCC2 ZINC000895120454 619739360 /nfs/dbraw/zinc/73/93/60/619739360.db2.gz DFRYYNDXMXKMNP-LBPRGKRZSA-N 0 3 276.405 3.011 20 30 CGEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)c2c(n1)CCCC2 ZINC000895314130 619803911 /nfs/dbraw/zinc/80/39/11/619803911.db2.gz QOSRGYZXJYCFFH-HNNXBMFYSA-N 0 3 283.419 3.395 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CC(Cc2ccco2)C1 ZINC000895599182 619857064 /nfs/dbraw/zinc/85/70/64/619857064.db2.gz QJILUHNRKVBOLB-UHFFFAOYSA-N 0 3 280.371 3.443 20 30 CGEDHN C=CC(C)(C)CCCNCc1cnc(C(=O)OCC)s1 ZINC000895930550 619909546 /nfs/dbraw/zinc/90/95/46/619909546.db2.gz MWFALSJMUWTWFC-UHFFFAOYSA-N 0 3 296.436 3.402 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cc(O)ccc1F ZINC000872086777 620277595 /nfs/dbraw/zinc/27/75/95/620277595.db2.gz XOGANCCNGNSMRL-NSHDSACASA-N 0 3 269.385 3.491 20 30 CGEDHN COc1c(Cl)cccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000897481445 620347860 /nfs/dbraw/zinc/34/78/60/620347860.db2.gz DWVILDOEXKPCIV-JQWIXIFHSA-N 0 3 264.756 3.130 20 30 CGEDHN CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000901312226 620854847 /nfs/dbraw/zinc/85/48/47/620854847.db2.gz WHTIDKMKSWFTRD-STQMWFEESA-N 0 3 289.423 3.022 20 30 CGEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)N(C)c1ccccc1 ZINC000902746807 621422926 /nfs/dbraw/zinc/42/29/26/621422926.db2.gz OTWKKLZSRNDNJU-HUUCEWRRSA-N 0 3 294.402 3.129 20 30 CGEDHN C[C@H](NCCCOc1ccccc1F)c1cc(C#N)ccn1 ZINC000902746497 621423741 /nfs/dbraw/zinc/42/37/41/621423741.db2.gz IQTHPXHRLJYEFT-ZDUSSCGKSA-N 0 3 299.349 3.212 20 30 CGEDHN C[C@H](COc1cccc(F)c1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902759424 621428630 /nfs/dbraw/zinc/42/86/30/621428630.db2.gz XBUFMMIZJQKZBE-CHWSQXEVSA-N 0 3 299.349 3.210 20 30 CGEDHN Cc1ccc(OCCCN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902784700 621430115 /nfs/dbraw/zinc/43/01/15/621430115.db2.gz XPJVMVMHCSIYJU-OAHLLOKOSA-N 0 3 295.386 3.381 20 30 CGEDHN C[C@H](NCCc1cc(F)cc(F)c1)c1cc(C#N)ccn1 ZINC000902783657 621439523 /nfs/dbraw/zinc/43/95/23/621439523.db2.gz HVRSSLBVQXAWSQ-NSHDSACASA-N 0 3 287.313 3.125 20 30 CGEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)Oc1ccc(F)cc1 ZINC000902821292 621455729 /nfs/dbraw/zinc/45/57/29/621455729.db2.gz HHNPMDAXEQUQDQ-CHWSQXEVSA-N 0 3 299.349 3.210 20 30 CGEDHN COC1(CN[C@@H](C)c2cc(C#N)ccn2)CCC(C)CC1 ZINC000902975413 621517763 /nfs/dbraw/zinc/51/77/63/621517763.db2.gz FUFFEPJUBZLMPP-UUCFBXCCSA-N 0 3 287.407 3.199 20 30 CGEDHN Cc1ccccc1[C@@H]1C[C@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000903039126 621539181 /nfs/dbraw/zinc/53/91/81/621539181.db2.gz QSIQQHREUKSSOW-RPVQJOFSSA-N 0 3 277.371 3.468 20 30 CGEDHN CC[C@@H](N[C@H](C)c1ccnn1C)c1cccc(C#N)c1 ZINC000903080991 621561912 /nfs/dbraw/zinc/56/19/12/621561912.db2.gz SJRDLXWCNFEQMM-IUODEOHRSA-N 0 3 268.364 3.094 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cccc(O)c32)CCCC1 ZINC000903108641 621581462 /nfs/dbraw/zinc/58/14/62/621581462.db2.gz FVMNNJCHHRJJTO-ZDUSSCGKSA-N 0 3 256.349 3.053 20 30 CGEDHN CO[C@@H]1CCC[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000903127783 621590408 /nfs/dbraw/zinc/59/04/08/621590408.db2.gz LOYKGPVJVASUBH-BZUAXINKSA-N 0 3 258.365 3.189 20 30 CGEDHN CCC[C@@H](C)[C@H](CC)NCc1nc(C#N)cs1 ZINC000903262232 621647854 /nfs/dbraw/zinc/64/78/54/621647854.db2.gz BNCFCXHGEPSVGV-PWSUYJOCSA-N 0 3 251.399 3.319 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@@H]2CCCF)n1 ZINC000903263562 621648885 /nfs/dbraw/zinc/64/88/85/621648885.db2.gz NZVJXXXTZPJZFK-PWSUYJOCSA-N 0 3 267.373 3.023 20 30 CGEDHN COC(C)(C)[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000903332075 621706655 /nfs/dbraw/zinc/70/66/55/621706655.db2.gz PPXCSQKPNPUPAR-MNOVXSKESA-N 0 3 264.344 3.161 20 30 CGEDHN C=CCCCN(CC)C(=O)Nc1ccc2c(c1)CNC2 ZINC000904514578 621929295 /nfs/dbraw/zinc/92/92/95/621929295.db2.gz CUEQYTXWHFSKQV-UHFFFAOYSA-N 0 3 273.380 3.110 20 30 CGEDHN CC1/C(=C\c2cscc2C(F)(F)F)C(=O)c2ncnn21 ZINC000905086931 622033882 /nfs/dbraw/zinc/03/38/82/622033882.db2.gz URDNERAGJDVCNZ-ONJTYKPQSA-N 0 3 299.277 3.199 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000912332869 622631980 /nfs/dbraw/zinc/63/19/80/622631980.db2.gz ISLSUHKLNWLACV-ZDUSSCGKSA-N 0 3 296.798 3.361 20 30 CGEDHN C=CCCOCCNCc1cc(Cl)ccc1OC ZINC000229879734 623172723 /nfs/dbraw/zinc/17/27/23/623172723.db2.gz ARULROLQQGENNV-UHFFFAOYSA-N 0 3 269.772 3.031 20 30 CGEDHN COc1ccc(CNCc2ccc(C)c(F)c2)cc1C#N ZINC000174251923 623376113 /nfs/dbraw/zinc/37/61/13/623376113.db2.gz URICAEFABIOTNO-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN C[C@@H]1Cc2cc(CNCc3ccc(C#N)cc3)ccc2O1 ZINC000921543983 625658869 /nfs/dbraw/zinc/65/88/69/625658869.db2.gz OAOUXRGIGBJIOZ-CYBMUJFWSA-N 0 3 278.355 3.171 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921544456 625659373 /nfs/dbraw/zinc/65/93/73/625659373.db2.gz RSIFXNGKMXTQHT-UHFFFAOYSA-N 0 3 278.355 3.173 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993191160 623906927 /nfs/dbraw/zinc/90/69/27/623906927.db2.gz AFUZMUUKSWXBEP-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC=C(C)C)[C@@H]2C)C1 ZINC000993782594 624061992 /nfs/dbraw/zinc/06/19/92/624061992.db2.gz ADUZOJJRMLSKJT-CVEARBPZSA-N 0 3 290.451 3.278 20 30 CGEDHN N#Cc1cc(CNCCOC2CCCCC2)cs1 ZINC000921612547 625698744 /nfs/dbraw/zinc/69/87/44/625698744.db2.gz TZAZLJRYOOEVSY-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN N#CCCCN1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000916977056 624224609 /nfs/dbraw/zinc/22/46/09/624224609.db2.gz HYJKSZXHUCNETP-AWEZNQCLSA-N 0 3 278.783 3.487 20 30 CGEDHN CCCCCCC[C@H](C)CNC(=O)N1CCCN(C)CC1 ZINC000918137297 624336635 /nfs/dbraw/zinc/33/66/35/624336635.db2.gz YDKOECUEJIOOKW-INIZCTEOSA-N 0 3 297.487 3.330 20 30 CGEDHN C=CC[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921753255 625864023 /nfs/dbraw/zinc/86/40/23/625864023.db2.gz ATGSIWJMJPFUHR-JTQLQIEISA-N 0 3 279.181 3.375 20 30 CGEDHN Cc1ccncc1CNCc1c(C)cc(C#N)cc1C ZINC000922160095 625974630 /nfs/dbraw/zinc/97/46/30/625974630.db2.gz UHSVQUUQHWMRPW-UHFFFAOYSA-N 0 3 265.360 3.168 20 30 CGEDHN Cc1cnc(Cl)c(CNCCc2ccc(C#N)cc2)c1 ZINC000922236445 625988082 /nfs/dbraw/zinc/98/80/82/625988082.db2.gz BFXRJBCSJQJBPS-UHFFFAOYSA-N 0 3 285.778 3.247 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000922894003 626091147 /nfs/dbraw/zinc/09/11/47/626091147.db2.gz WVKLYOVDQQUKCL-GOSISDBHSA-N 0 3 299.418 3.472 20 30 CGEDHN C#CCC1(NCc2cn(C3CC3)cn2)CCCCC1 ZINC000922981108 626114517 /nfs/dbraw/zinc/11/45/17/626114517.db2.gz HVPRCWFHOVWNQJ-UHFFFAOYSA-N 0 3 257.381 3.034 20 30 CGEDHN C#CCC1(NCc2nc3cc(Cl)ccc3n2C)CCC1 ZINC000922997808 626117128 /nfs/dbraw/zinc/11/71/28/626117128.db2.gz MFGZCKWKVCPFBU-UHFFFAOYSA-N 0 3 287.794 3.262 20 30 CGEDHN C[C@@H]1[C@@H](C)CCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000751943969 626412503 /nfs/dbraw/zinc/41/25/03/626412503.db2.gz SGKOWCVVNXZOHD-UONOGXRCSA-N 0 3 280.375 3.110 20 30 CGEDHN C[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@H]1C ZINC000752076093 626417720 /nfs/dbraw/zinc/41/77/20/626417720.db2.gz NPMTUWDHZXMBOA-TXEJJXNPSA-N 0 3 278.783 3.330 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=C2CC[C@@H](C)C2)nc(C)n1 ZINC000753800637 626466140 /nfs/dbraw/zinc/46/61/40/626466140.db2.gz XOUMZANTLWPMRZ-AVYFYAABSA-N 0 3 269.348 3.016 20 30 CGEDHN C[C@@H]1CCC(=NNC2=N[C@@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000753941026 626469456 /nfs/dbraw/zinc/46/94/56/626469456.db2.gz WAERDTBAZRNURO-JLZZUVOBSA-N 0 3 296.418 3.148 20 30 CGEDHN CC(C)N1CC(N=Nc2c(F)cccc2F)[C@H](C)C1 ZINC000754258076 626565131 /nfs/dbraw/zinc/56/51/31/626565131.db2.gz HANTTYSDHGQSSE-SNVBAGLBSA-N 0 3 267.323 3.093 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000839556128 626759701 /nfs/dbraw/zinc/75/97/01/626759701.db2.gz KGPMTUJJLWAYLB-MISXGVKJSA-N 0 3 251.757 3.282 20 30 CGEDHN CC1(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000759440228 626898740 /nfs/dbraw/zinc/89/87/40/626898740.db2.gz HTNSEFOBVAGNSY-JTQLQIEISA-N 0 3 254.289 3.194 20 30 CGEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc[nH]2)cc1 ZINC000760444013 626970242 /nfs/dbraw/zinc/97/02/42/626970242.db2.gz BPCXKBWRNVPZOL-CQSZACIVSA-N 0 3 268.360 3.268 20 30 CGEDHN C=C(Br)CN[C@H](C)Cc1ccccc1OC ZINC000125020916 634546983 /nfs/dbraw/zinc/54/69/83/634546983.db2.gz QEROSMLAHMOPBT-LLVKDONJSA-N 0 3 284.197 3.124 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)CC(F)(F)F)cc1 ZINC000766477465 627335125 /nfs/dbraw/zinc/33/51/25/627335125.db2.gz CUYGBBZJAVDEPY-GHMZBOCLSA-N 0 3 286.297 3.408 20 30 CGEDHN C#CCOc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1 ZINC000769447836 627553428 /nfs/dbraw/zinc/55/34/28/627553428.db2.gz YBQHPDRRSAGJPY-ZIAGYGMSSA-N 0 3 275.417 3.024 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(Br)cc1C ZINC000769978096 627594159 /nfs/dbraw/zinc/59/41/59/627594159.db2.gz PYFXZJMUCTWAGC-LLVKDONJSA-N 0 3 266.182 3.211 20 30 CGEDHN C#CCOc1ccc(CNCc2ccnc(SC)c2)cc1 ZINC000771882915 627739923 /nfs/dbraw/zinc/73/99/23/627739923.db2.gz WDXALPLEEMPGRF-UHFFFAOYSA-N 0 3 298.411 3.105 20 30 CGEDHN C[C@@H](CC#N)NN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000771882838 627740249 /nfs/dbraw/zinc/74/02/49/627740249.db2.gz BERWAPATLSXQIA-ZLUIGXTQSA-N 0 3 282.391 3.175 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000775260763 628075945 /nfs/dbraw/zinc/07/59/45/628075945.db2.gz CVEJVHHCNFSQGH-KBPBESRZSA-N 0 3 286.375 3.096 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@](C)(CC)c1ccccc1 ZINC000775387697 628088280 /nfs/dbraw/zinc/08/82/80/628088280.db2.gz LNPNUUXNBLNNBU-SFHVURJKSA-N 0 3 286.419 3.102 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@H](C)c2c1cccc2C)[C@@H]1CCCO1 ZINC000775572362 628109173 /nfs/dbraw/zinc/10/91/73/628109173.db2.gz RDTVJAMABLPYAL-LLLHUVSDSA-N 0 3 269.388 3.314 20 30 CGEDHN C#C[C@@H](NCc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000775793972 628137198 /nfs/dbraw/zinc/13/71/98/628137198.db2.gz XTZBUIHYRUHRKP-MSOLQXFVSA-N 0 3 265.356 3.110 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C#N)c(F)c1 ZINC000776737225 628229161 /nfs/dbraw/zinc/22/91/61/628229161.db2.gz YFNFGMZWPSUFPI-GFCCVEGCSA-N 0 3 296.345 3.483 20 30 CGEDHN FC(F)(F)c1ccc([C@H]2CCCC2=Nn2cnnc2)cc1 ZINC000776757769 628230166 /nfs/dbraw/zinc/23/01/66/628230166.db2.gz ZTQXEFKDIDQEID-GFCCVEGCSA-N 0 3 294.280 3.469 20 30 CGEDHN Cc1cc(Cl)cc(C[NH+]2CCC(CC#N)CC2)c1[O-] ZINC000781926495 628605543 /nfs/dbraw/zinc/60/55/43/628605543.db2.gz GBJANMGJZYPMSP-UHFFFAOYSA-N 0 3 278.783 3.480 20 30 CGEDHN C#Cc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 ZINC000787773674 629029254 /nfs/dbraw/zinc/02/92/54/629029254.db2.gz CPPPVJCALHVQLB-AWEZNQCLSA-N 0 3 250.345 3.256 20 30 CGEDHN FC(F)(F)c1cccc([C@H]2CCCC2=Nn2cnnc2)c1 ZINC000788929338 629090537 /nfs/dbraw/zinc/09/05/37/629090537.db2.gz SKJLMMJPGHLRGS-GFCCVEGCSA-N 0 3 294.280 3.469 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCSC1 ZINC000790483845 629213039 /nfs/dbraw/zinc/21/30/39/629213039.db2.gz KOGFQICLGZTYGN-LBPRGKRZSA-N 0 3 295.835 3.195 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(N(CC)CC)cc1 ZINC000792193190 629348076 /nfs/dbraw/zinc/34/80/76/629348076.db2.gz RSQZGZQKNRYUKR-UHFFFAOYSA-N 0 3 276.424 3.167 20 30 CGEDHN C#CC[C@@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000862445649 629379903 /nfs/dbraw/zinc/37/99/03/629379903.db2.gz YUIROPZVWPWUEK-HSBHDXMMSA-N 0 3 261.315 3.323 20 30 CGEDHN CC(C)N(C)c1ccc(C=NN[C@@H](C)C(C)(C)C)cn1 ZINC000793113975 629412817 /nfs/dbraw/zinc/41/28/17/629412817.db2.gz CVLSJAIRORBOHU-ZDUSSCGKSA-N 0 3 276.428 3.284 20 30 CGEDHN FC(F)(F)c1ccc(N=NC2CN3C[C@@H]2CCC3)cc1 ZINC000863103541 629471282 /nfs/dbraw/zinc/47/12/82/629471282.db2.gz CFTMNTRAXMOLPT-JTQLQIEISA-N 0 3 283.297 3.199 20 30 CGEDHN Cc1cc(NN=Cc2cnc(C3CCCC3)s2)ccn1 ZINC000863159714 629486106 /nfs/dbraw/zinc/48/61/06/629486106.db2.gz YZEVYQJHNCIXMI-UHFFFAOYSA-N 0 3 286.404 3.372 20 30 CGEDHN N#Cc1cc([O-])ccc1-c1cccc(C[NH2+]CC2CC2)c1 ZINC000863723488 629660717 /nfs/dbraw/zinc/66/07/17/629660717.db2.gz ZFJSRFRQUUSRQV-UHFFFAOYSA-N 0 3 278.355 3.430 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CC1CCCC1 ZINC000796638097 629809203 /nfs/dbraw/zinc/80/92/03/629809203.db2.gz FTALPGVUTUSATA-SFHVURJKSA-N 0 3 271.404 3.063 20 30 CGEDHN C#CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000796641836 629810001 /nfs/dbraw/zinc/81/00/01/629810001.db2.gz UZIRVDGNHXCYBP-UHFFFAOYSA-N 0 3 294.354 3.273 20 30 CGEDHN CC(C)O[C@@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000796747374 629824989 /nfs/dbraw/zinc/82/49/89/629824989.db2.gz NJMZOUWZFLQUAC-MAUKXSAKSA-N 0 3 294.354 3.424 20 30 CGEDHN C=CC(C)(C)CNCc1cccnc1Br ZINC000865590121 630204463 /nfs/dbraw/zinc/20/44/63/630204463.db2.gz UZFWBWDVHCMXJI-UHFFFAOYSA-N 0 3 269.186 3.146 20 30 CGEDHN C[C@H](C#N)OCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000801913521 630364592 /nfs/dbraw/zinc/36/45/92/630364592.db2.gz WHJXQHNNKKTOAH-GFCCVEGCSA-N 0 3 278.783 3.233 20 30 CGEDHN C[C@H](C#N)OCCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000801913597 630364930 /nfs/dbraw/zinc/36/49/30/630364930.db2.gz XZMYNYNWHVPHLZ-SNVBAGLBSA-N 0 3 287.190 3.354 20 30 CGEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000801916018 630365745 /nfs/dbraw/zinc/36/57/45/630365745.db2.gz QEAPDWOIZZKQIO-DZGCQCFKSA-N 0 3 292.810 3.276 20 30 CGEDHN C[C@H](C#N)OCCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000801937854 630370812 /nfs/dbraw/zinc/37/08/12/630370812.db2.gz AOXFALIYHZTJOO-FKLRVFMWSA-N 0 3 270.376 3.093 20 30 CGEDHN C[C@H](C#N)OCCNC(C)(c1ccccc1)c1ccccc1 ZINC000801937646 630370927 /nfs/dbraw/zinc/37/09/27/630370927.db2.gz RQMJRUQLPUYTTH-MRXNPFEDSA-N 0 3 294.398 3.468 20 30 CGEDHN C[C@H](C#N)OCCN[C@H](C)c1cc2ccccc2o1 ZINC000801946431 630372412 /nfs/dbraw/zinc/37/24/12/630372412.db2.gz IHCKYAYBCIROCK-VXGBXAGGSA-N 0 3 258.321 3.012 20 30 CGEDHN C#C[C@H](CC)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000809686341 630783479 /nfs/dbraw/zinc/78/34/79/630783479.db2.gz MKWGUCVPJYJNMG-GFCCVEGCSA-N 0 3 281.783 3.249 20 30 CGEDHN C#C[C@@H](NCc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000809781509 630806391 /nfs/dbraw/zinc/80/63/91/630806391.db2.gz TZXVBOQMMPOFMS-CQSZACIVSA-N 0 3 260.337 3.041 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000810214977 630854781 /nfs/dbraw/zinc/85/47/81/630854781.db2.gz NCRJXEWMIUCAIK-GOSISDBHSA-N 0 3 290.366 3.270 20 30 CGEDHN C#CCN(Cc1ccccc1)CC1(SC)CCC1 ZINC000811505747 631077285 /nfs/dbraw/zinc/07/72/85/631077285.db2.gz HEDHRRGVDVBYPM-UHFFFAOYSA-N 0 3 259.418 3.408 20 30 CGEDHN C#CCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816471857 631986881 /nfs/dbraw/zinc/98/68/81/631986881.db2.gz OPJJPLYMVWLUQY-AEFFLSMTSA-N 0 3 299.414 3.386 20 30 CGEDHN C#CCSCCN[C@H](C)c1ccc(Cl)cc1OC ZINC000817580810 632189037 /nfs/dbraw/zinc/18/90/37/632189037.db2.gz KYZQYTSZHRSVIG-LLVKDONJSA-N 0 3 283.824 3.366 20 30 CGEDHN COC1([C@H](C)NCc2cc(C#N)ccc2F)CCCC1 ZINC000817582268 632189646 /nfs/dbraw/zinc/18/96/46/632189646.db2.gz WXCRQFRUADELEA-LBPRGKRZSA-N 0 3 276.355 3.135 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@H]1CNCCC1(F)F ZINC000817982169 632272780 /nfs/dbraw/zinc/27/27/80/632272780.db2.gz YTJIUAZLWLRXOJ-STQMWFEESA-N 0 3 260.372 3.098 20 30 CGEDHN CCCCC[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)C ZINC000818123329 632289070 /nfs/dbraw/zinc/28/90/70/632289070.db2.gz RCEAEVQDEDDHII-UONOGXRCSA-N 0 3 281.444 3.119 20 30 CGEDHN C#CCCOc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000865754312 632878882 /nfs/dbraw/zinc/87/88/82/632878882.db2.gz PIFACWVOSVECSW-ZIAGYGMSSA-N 0 3 283.293 3.129 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866338148 633086598 /nfs/dbraw/zinc/08/65/98/633086598.db2.gz XXGPSUYXDHBUDX-SNVBAGLBSA-N 0 3 280.755 3.334 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000866499220 633160963 /nfs/dbraw/zinc/16/09/63/633160963.db2.gz GRMCHDVNYXXKMG-ZWKOPEQDSA-N 0 3 284.281 3.190 20 30 CGEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccncc2C)c1 ZINC000823887090 633165172 /nfs/dbraw/zinc/16/51/72/633165172.db2.gz AJDIYBOWWQZVLH-KRWDZBQOSA-N 0 3 295.386 3.361 20 30 CGEDHN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccnn1C ZINC000866615580 633215763 /nfs/dbraw/zinc/21/57/63/633215763.db2.gz VZYHLXBZBBNJDB-GUYCJALGSA-N 0 3 294.402 3.410 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCc3cccc([O-])c31)C2 ZINC000866616740 633216546 /nfs/dbraw/zinc/21/65/46/633216546.db2.gz UFUJYEONLCSSPO-SJORKVTESA-N 0 3 290.366 3.008 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@@H]1CCCC[C@H]1C ZINC000824654467 633269569 /nfs/dbraw/zinc/26/95/69/633269569.db2.gz OLHYQMHTWWOWOI-NTZNESFSSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCC[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000825168430 633333703 /nfs/dbraw/zinc/33/37/03/633333703.db2.gz JPIVOCZNFIXKCU-SFHVURJKSA-N 0 3 297.398 3.476 20 30 CGEDHN C#CC[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000826579454 633417251 /nfs/dbraw/zinc/41/72/51/633417251.db2.gz WXJTTXQLVIPHNL-CQSZACIVSA-N 0 3 250.345 3.475 20 30 CGEDHN C#C[C@@H](NCc1cc2cc(F)ccc2o1)C1CCOCC1 ZINC000827570820 633500232 /nfs/dbraw/zinc/50/02/32/633500232.db2.gz RQLOAZHGTUWQHD-MRXNPFEDSA-N 0 3 287.334 3.090 20 30 CGEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000829773130 633781081 /nfs/dbraw/zinc/78/10/81/633781081.db2.gz BANFWEZTVOGGAG-HOTGVXAUSA-N 0 3 284.403 3.057 20 30 CGEDHN CCN(CC)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123771284 633855348 /nfs/dbraw/zinc/85/53/48/633855348.db2.gz XRFXYMPXJWDILB-UHFFFAOYSA-N 0 3 271.408 3.268 20 30 CGEDHN Cc1ccc(CN(C)CCCOc2ccc(C#N)cc2)nc1 ZINC000831053462 633913602 /nfs/dbraw/zinc/91/36/02/633913602.db2.gz HDSIBVRJVOQZJF-UHFFFAOYSA-N 0 3 295.386 3.163 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872060134 633982280 /nfs/dbraw/zinc/98/22/80/633982280.db2.gz MNQKTMMDYBFTQR-NSHDSACASA-N 0 3 296.392 3.170 20 30 CGEDHN COc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)ccc1C#N ZINC000834806493 634245022 /nfs/dbraw/zinc/24/50/22/634245022.db2.gz DFHOHAJFKKSNJJ-HNNXBMFYSA-N 0 3 294.354 3.050 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C2=CC[C@@H](C)CC2)nc(C)n1 ZINC000835060606 634342208 /nfs/dbraw/zinc/34/22/08/634342208.db2.gz RXBPPLSCHZAZAC-YGRLFVJLSA-N 0 3 269.348 3.016 20 30 CGEDHN C#CCCCCCCNCc1nccn1CC(F)(F)F ZINC000877004505 634947984 /nfs/dbraw/zinc/94/79/84/634947984.db2.gz MUCISASTZGRDLK-UHFFFAOYSA-N 0 3 287.329 3.119 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000877230313 635016343 /nfs/dbraw/zinc/01/63/43/635016343.db2.gz YRXRIGGUNZQLMA-SNVBAGLBSA-N 0 3 292.688 3.172 20 30 CGEDHN N#Cc1cnc(Cl)c(CN2CCC3(CCC3)CC2)c1 ZINC000877518413 635069090 /nfs/dbraw/zinc/06/90/90/635069090.db2.gz BXCPHATZZLSHQE-UHFFFAOYSA-N 0 3 275.783 3.373 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C)(F)CC2)cc1 ZINC000877700980 635151271 /nfs/dbraw/zinc/15/12/71/635151271.db2.gz XTOFZEAYCYHZGI-CYBMUJFWSA-N 0 3 276.355 3.301 20 30 CGEDHN N#CC1CCN(C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878016664 635322091 /nfs/dbraw/zinc/32/20/91/635322091.db2.gz QREKHSBSNXVGOC-SJORKVTESA-N 0 3 270.376 3.142 20 30 CGEDHN C#CC[C@@H]1CCCN(Cn2cnc3cc(F)c(F)cc32)C1 ZINC000842630050 635420517 /nfs/dbraw/zinc/42/05/17/635420517.db2.gz WGYTWPBMQNTKGC-GFCCVEGCSA-N 0 3 289.329 3.007 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2nn(CC)c3ccccc23)C1 ZINC000843422302 635666246 /nfs/dbraw/zinc/66/62/46/635666246.db2.gz DTRMUXMLTQKCTK-HNNXBMFYSA-N 0 3 281.403 3.292 20 30 CGEDHN C#CC1CCN(Cc2ccc(OCC)c(F)c2)CC1 ZINC000843426945 635671300 /nfs/dbraw/zinc/67/13/00/635671300.db2.gz NYNMCPHQAVEYMJ-UHFFFAOYSA-N 0 3 261.340 3.070 20 30 CGEDHN CN(CC[C@@H]1CCCC1(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000879309500 635752069 /nfs/dbraw/zinc/75/20/69/635752069.db2.gz NUSWLOSIBOWSID-FRRDWIJNSA-N 0 3 256.340 3.436 20 30 CGEDHN CC(C)(O)[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000879963170 635890089 /nfs/dbraw/zinc/89/00/89/635890089.db2.gz YFMZAFXCAKRRLX-OAHLLOKOSA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@@H](c1ccccc1)N1CCN(CCCCC#N)CC1 ZINC000880247621 635955951 /nfs/dbraw/zinc/95/59/51/635955951.db2.gz JQGRZGCVURKNAP-INIZCTEOSA-N 0 3 271.408 3.059 20 30 CGEDHN N#CC(C(=O)C=CC1CCCCCC1)c1ccncn1 ZINC000845512899 636042731 /nfs/dbraw/zinc/04/27/31/636042731.db2.gz DYFDYEPXHLALDP-NPQIQWPPSA-N 0 3 269.348 3.179 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccc(OC)cc2F)C1 ZINC000845987802 636127070 /nfs/dbraw/zinc/12/70/70/636127070.db2.gz MFQSLBLBPGSAEA-CYBMUJFWSA-N 0 3 261.340 3.070 20 30 CGEDHN C#C[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000847026508 636316863 /nfs/dbraw/zinc/31/68/63/636316863.db2.gz FJWBDKSPVWWOHZ-STQMWFEESA-N 0 3 258.321 3.001 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C(C)C)no1)[C@@H]1CCCO1 ZINC000883190024 636574948 /nfs/dbraw/zinc/57/49/48/636574948.db2.gz STMRVXXFKUOCFY-ZBFHGGJFSA-N 0 3 278.396 3.401 20 30 CGEDHN C=CCCCCCNCc1c(Cl)n(C)nc1CC ZINC000848562649 636607318 /nfs/dbraw/zinc/60/73/18/636607318.db2.gz KHWJWQULIHOZMY-UHFFFAOYSA-N 0 3 269.820 3.472 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccccc1Br ZINC000883389443 636732827 /nfs/dbraw/zinc/73/28/27/636732827.db2.gz QQIXDXAHSOVALJ-NWDGAFQWSA-N 0 3 298.224 3.427 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@]2(C)CCCO2)c([O-])c1 ZINC000132414621 636807217 /nfs/dbraw/zinc/80/72/17/636807217.db2.gz RTRACPAUNZQRLH-YPOUMIDOSA-N 0 3 290.407 3.226 20 30 CGEDHN N#Cc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000850034177 636930022 /nfs/dbraw/zinc/93/00/22/636930022.db2.gz ZOVZJJUODGDCGQ-UHFFFAOYSA-N 0 3 287.366 3.403 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)c(C)s2)CC1 ZINC001006384788 637002866 /nfs/dbraw/zinc/00/28/66/637002866.db2.gz NSCWNYHSMFRHPN-UHFFFAOYSA-N 0 3 292.448 3.087 20 30 CGEDHN CC[C@@](C)(CC(=O)OC)NCC#Cc1ccccc1Cl ZINC000135210798 637096922 /nfs/dbraw/zinc/09/69/22/637096922.db2.gz DKVIGODRUSYHEF-INIZCTEOSA-N 0 3 293.794 3.013 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1ccccn1 ZINC000850755730 637146366 /nfs/dbraw/zinc/14/63/66/637146366.db2.gz HVJGYQPUQGKYPO-ZJUUUORDSA-N 0 3 283.158 3.232 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCC3)CO2)c(F)c1 ZINC000886318513 637498569 /nfs/dbraw/zinc/49/85/69/637498569.db2.gz VLTFFFVBGIBXLO-OAHLLOKOSA-N 0 3 288.366 3.136 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000886353654 637509709 /nfs/dbraw/zinc/50/97/09/637509709.db2.gz MYHHEVKGRGHACV-CYBMUJFWSA-N 0 3 284.334 3.326 20 30 CGEDHN Cc1ccc(CN(C)[C@@H](CO)c2ccccc2C)cc1C#N ZINC000886444554 637532494 /nfs/dbraw/zinc/53/24/94/637532494.db2.gz BNQHRRJAPWSVNY-IBGZPJMESA-N 0 3 294.398 3.341 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccccn1 ZINC000851997442 637567507 /nfs/dbraw/zinc/56/75/07/637567507.db2.gz KORILGODJKJYLT-SFHVURJKSA-N 0 3 282.387 3.193 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C2CC2)no1)[C@@H]1CCCO1 ZINC000886686846 637652674 /nfs/dbraw/zinc/65/26/74/637652674.db2.gz YKFQMNMTLAHUCK-ZBFHGGJFSA-N 0 3 276.380 3.155 20 30 CGEDHN C=CCC1(O)CCN(Cc2cccc(SC)c2)CC1 ZINC000886778764 637686210 /nfs/dbraw/zinc/68/62/10/637686210.db2.gz SNRUOWOPPXDFMC-UHFFFAOYSA-N 0 3 277.433 3.312 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1c(F)cccc1F ZINC000852686437 637695086 /nfs/dbraw/zinc/69/50/86/637695086.db2.gz VIFHYZKOZCVWRI-ZOWXZIJZSA-N 0 3 279.330 3.181 20 30 CGEDHN C#C[C@@H](N[C@@H](CC)c1ccc(F)cc1F)C1CCOCC1 ZINC000853079066 637752632 /nfs/dbraw/zinc/75/26/32/637752632.db2.gz WYKWNFIWYFOAHL-SJORKVTESA-N 0 3 293.357 3.434 20 30 CGEDHN CCN(CC)c1ccc(C=NN2CCCC[C@@H]2C)c(O)c1 ZINC000853378912 637827283 /nfs/dbraw/zinc/82/72/83/637827283.db2.gz KSMLTXHUPRBNKD-AWEZNQCLSA-N 0 3 289.423 3.447 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1cnc2cc(F)c(F)cc21 ZINC000853598200 637871829 /nfs/dbraw/zinc/87/18/29/637871829.db2.gz OFNKROUUFNHZJY-TXEJJXNPSA-N 0 3 289.329 3.455 20 30 CGEDHN COc1cc(C)ccc1CN[C@H](C)CC(C)(C)C#N ZINC000925260034 638486872 /nfs/dbraw/zinc/48/68/72/638486872.db2.gz MDBGPHHRRFCSTM-CYBMUJFWSA-N 0 3 260.381 3.422 20 30 CGEDHN C[C@H]1[C@H](C)OC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000925490338 638511011 /nfs/dbraw/zinc/51/10/11/638511011.db2.gz SSNMTLOEWYROLV-SLEUVZQESA-N 0 3 297.320 3.070 20 30 CGEDHN C=C(C)COCCN[C@@H](c1ccccn1)C1CCC1 ZINC000925533035 638521443 /nfs/dbraw/zinc/52/14/43/638521443.db2.gz XBWKRMUBPKUMQE-MRXNPFEDSA-N 0 3 260.381 3.105 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](CCC)c1ncccc1Cl ZINC000925700142 638571990 /nfs/dbraw/zinc/57/19/90/638571990.db2.gz ZAZHTNJRALVTHX-JSGCOSHPSA-N 0 3 282.815 3.350 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024211 638619767 /nfs/dbraw/zinc/61/97/67/638619767.db2.gz VSJXWEQEZPAZCY-RHSMWYFYSA-N 0 3 299.418 3.494 20 30 CGEDHN COCC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccco1 ZINC000926113780 638709756 /nfs/dbraw/zinc/70/97/56/638709756.db2.gz AQNGBBHKSJYBCH-QWHCGFSZSA-N 0 3 264.369 3.275 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926344795 638764918 /nfs/dbraw/zinc/76/49/18/638764918.db2.gz YHJPLRPSSUYMFI-WQGACYEGSA-N 0 3 279.355 3.163 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1COCc2ccccc21 ZINC000926599294 638789876 /nfs/dbraw/zinc/78/98/76/638789876.db2.gz DTZWEAFCVKFNGZ-SWLSCSKDSA-N 0 3 258.365 3.176 20 30 CGEDHN N#CC1(CN[C@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000926874943 638820016 /nfs/dbraw/zinc/82/00/16/638820016.db2.gz VLEXYXPJFHZAGN-GOSISDBHSA-N 0 3 291.398 3.129 20 30 CGEDHN Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1C#N ZINC000926959899 638829250 /nfs/dbraw/zinc/82/92/50/638829250.db2.gz CREXSOFRDJDDSQ-MRXNPFEDSA-N 0 3 278.355 3.349 20 30 CGEDHN Cc1cc([C@H]2CCCN2CC2CCC(C#N)CC2)no1 ZINC000929184458 638906558 /nfs/dbraw/zinc/90/65/58/638906558.db2.gz ACJHLKCIWZLOGW-ZBCRRDGASA-N 0 3 273.380 3.450 20 30 CGEDHN COc1ccc(CCCN(C)Cc2cncc(C#N)c2)cc1 ZINC000929326841 638918892 /nfs/dbraw/zinc/91/88/92/638918892.db2.gz BENDPZBQOOEPBM-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN N#Cc1ccc(CN(CCc2ccns2)C2CC2)cc1 ZINC000929366605 638921352 /nfs/dbraw/zinc/92/13/52/638921352.db2.gz BYUZIGJUMNLPAJ-UHFFFAOYSA-N 0 3 283.400 3.222 20 30 CGEDHN CC[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@@H](C)O1 ZINC000929618467 638935075 /nfs/dbraw/zinc/93/50/75/638935075.db2.gz AHVTWEIMBPPRLA-HUUCEWRRSA-N 0 3 264.413 3.350 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@]3(CC=CCC3)C2)c1 ZINC000929649197 638937450 /nfs/dbraw/zinc/93/74/50/638937450.db2.gz WLFXEHKEQKHNNO-QGZVFWFLSA-N 0 3 267.376 3.276 20 30 CGEDHN N#CC1(CCCCN2CCOC3(CCCC3)C2)CCC1 ZINC000929848709 638957075 /nfs/dbraw/zinc/95/70/75/638957075.db2.gz TZQGRLYZUKNPKB-UHFFFAOYSA-N 0 3 276.424 3.496 20 30 CGEDHN CCCCC[C@@H]1CCCN1Cc1cncc(C#N)c1 ZINC000929854115 638957362 /nfs/dbraw/zinc/95/73/62/638957362.db2.gz KSTVSHPAXPNDJE-MRXNPFEDSA-N 0 3 257.381 3.498 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C)c2snnc2C)C1 ZINC000930963758 639091780 /nfs/dbraw/zinc/09/17/80/639091780.db2.gz XOLLDWJDEHYUSX-NEPJUHHUSA-N 0 3 251.399 3.196 20 30 CGEDHN C#CCCN[C@@H](C)c1cc(F)c(Br)cc1F ZINC000859507422 639152699 /nfs/dbraw/zinc/15/26/99/639152699.db2.gz LDGVEHQVBYIUGC-QMMMGPOBSA-N 0 3 288.135 3.401 20 30 CGEDHN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C[C@H](O)CC#N ZINC000931619433 639180622 /nfs/dbraw/zinc/18/06/22/639180622.db2.gz YCIOHVOVGJSKGC-HUUCEWRRSA-N 0 3 292.810 3.182 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913927 639229686 /nfs/dbraw/zinc/22/96/86/639229686.db2.gz QLMPVLITSRVTLA-VHSXEESVSA-N 0 3 264.266 3.045 20 30 CGEDHN C#CCC1(NCC#Cc2cccc(Cl)c2)CCC1 ZINC000933294749 639436158 /nfs/dbraw/zinc/43/61/58/639436158.db2.gz NDGWRZUHCFYTOB-UHFFFAOYSA-N 0 3 257.764 3.227 20 30 CGEDHN C[C@H](c1ccccc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933651571 639474826 /nfs/dbraw/zinc/47/48/26/639474826.db2.gz MFLWOYPULVMNFC-CQSZACIVSA-N 0 3 271.360 3.085 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H]1CCOC12CCCCC2 ZINC000933871833 639501227 /nfs/dbraw/zinc/50/12/27/639501227.db2.gz SSVBSGLBQVKLEP-QGZVFWFLSA-N 0 3 269.388 3.120 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cc2ccccc2c(OC)c1 ZINC000934631743 639645744 /nfs/dbraw/zinc/64/57/44/639645744.db2.gz UGKBRTIWFDOTPA-DYVFJYSZSA-N 0 3 285.387 3.436 20 30 CGEDHN C=CCCCN(CC)CC(=O)N[C@@H](C)c1cccs1 ZINC000934650541 639649911 /nfs/dbraw/zinc/64/99/11/639649911.db2.gz KVRQAYDLKCPCGD-ZDUSSCGKSA-N 0 3 280.437 3.213 20 30 CGEDHN Cc1cccc(C2=CCN(CCO[C@H](C)C#N)CC2)c1C ZINC000934841401 639688250 /nfs/dbraw/zinc/68/82/50/639688250.db2.gz PDNSCBAPAPVSMK-OAHLLOKOSA-N 0 3 284.403 3.321 20 30 CGEDHN N#CC(C(=O)CCCc1cccs1)c1ccccn1 ZINC000041494081 639903701 /nfs/dbraw/zinc/90/37/01/639903701.db2.gz HYVIVGZASMMUEN-ZDUSSCGKSA-N 0 3 270.357 3.342 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001006450557 640261880 /nfs/dbraw/zinc/26/18/80/640261880.db2.gz FQCGOMCKDYWIMM-ZSHCYNCHSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001008274949 640949072 /nfs/dbraw/zinc/94/90/72/640949072.db2.gz IOIHDVCEWKVMCP-AWEZNQCLSA-N 0 3 290.407 3.173 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016111856 640992394 /nfs/dbraw/zinc/99/23/94/640992394.db2.gz VHDTVRYIBBCZNO-LLVKDONJSA-N 0 3 298.839 3.090 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCC1CCCC1 ZINC001157477501 805819357 /nfs/dbraw/zinc/81/93/57/805819357.db2.gz YFQFNIAYYFHZDV-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN N#Cc1cc(-c2ccccc2)oc1NC1=CNCCC1 ZINC001159220810 806060044 /nfs/dbraw/zinc/06/00/44/806060044.db2.gz WWQGKHFQWUIWKE-UHFFFAOYSA-N 0 3 265.316 3.455 20 30 CGEDHN N#Cc1c2ccccc2sc1N=C1CCCNC1 ZINC001159250112 806064410 /nfs/dbraw/zinc/06/44/10/806064410.db2.gz XULKIQBMGKRVNN-UHFFFAOYSA-N 0 3 255.346 3.062 20 30 CGEDHN C=C[C@@](C)(O)CNC1(c2ccccc2Cl)CCC1 ZINC001252578188 806073899 /nfs/dbraw/zinc/07/38/99/806073899.db2.gz CCNCQPZWHSQLSS-CQSZACIVSA-N 0 3 265.784 3.246 20 30 CGEDHN C=C[C@@](C)(O)CN[C@@H](c1ccccc1)c1cccc(OC)c1 ZINC001252582869 806074863 /nfs/dbraw/zinc/07/48/63/806074863.db2.gz XZWLBFRWGZHXTD-RBUKOAKNSA-N 0 3 297.398 3.311 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)CC)CC1 ZINC001166935477 807115164 /nfs/dbraw/zinc/11/51/64/807115164.db2.gz UJXQAZPGDNIVCE-UHFFFAOYSA-N 0 3 286.847 3.051 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001252989917 806149751 /nfs/dbraw/zinc/14/97/51/806149751.db2.gz ULDBAONCPALGGA-OAHLLOKOSA-N 0 3 296.459 3.094 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C=C(CC)CC)CC1 ZINC001159788554 806173195 /nfs/dbraw/zinc/17/31/95/806173195.db2.gz LQIAPMQWVPRSAA-UHFFFAOYSA-N 0 3 276.424 3.057 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1CCOC[C@H]1C(C)C ZINC001253240404 806190603 /nfs/dbraw/zinc/19/06/03/806190603.db2.gz KPOVCBUNUZIVPW-IRXDYDNUSA-N 0 3 283.456 3.231 20 30 CGEDHN C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253249323 806195163 /nfs/dbraw/zinc/19/51/63/806195163.db2.gz JIADQSWFTKJTCU-MRXNPFEDSA-N 0 3 293.407 3.075 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001161044551 806341382 /nfs/dbraw/zinc/34/13/82/806341382.db2.gz NCOYPEDOAYEKKE-DOTOQJQBSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN(CC=C)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254203112 806362843 /nfs/dbraw/zinc/36/28/43/806362843.db2.gz OXVGGDJTNRNKEU-OAHLLOKOSA-N 0 3 294.439 3.450 20 30 CGEDHN N#CCCNC1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254343165 806382049 /nfs/dbraw/zinc/38/20/49/806382049.db2.gz ZTBKSNYGHYCKIN-UHFFFAOYSA-N 0 3 271.339 3.033 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)c(F)c1 ZINC001254641757 806468246 /nfs/dbraw/zinc/46/82/46/806468246.db2.gz ASIWJCMGOBSHKK-CKYFFXLPSA-N 0 3 250.292 3.308 20 30 CGEDHN COc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1C(F)(F)F ZINC001254642611 806469059 /nfs/dbraw/zinc/46/90/59/806469059.db2.gz IYZSFGGUJFMMCA-CMPLNLGQSA-N 0 3 298.308 3.496 20 30 CGEDHN CC(C)(N[C@H]1CC[C@H](C#N)C1)c1cc(Cl)ccn1 ZINC001254654692 806475182 /nfs/dbraw/zinc/47/51/82/806475182.db2.gz XIAXRWXWVPVCLO-JQWIXIFHSA-N 0 3 263.772 3.252 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC001254676834 806484437 /nfs/dbraw/zinc/48/44/37/806484437.db2.gz OGTRHBUQUYGLIM-SOLBZPMBSA-N 0 3 295.386 3.094 20 30 CGEDHN CN1CCC[C@](C)(Nc2nc(Cl)c(Cl)cc2C#N)C1 ZINC001162341834 806559017 /nfs/dbraw/zinc/55/90/17/806559017.db2.gz PDMVUNHPAKGTNE-ZDUSSCGKSA-N 0 3 299.205 3.156 20 30 CGEDHN CC[C@H](CC#N)NCC1(COC)CCC(F)(F)CC1 ZINC001255162779 806561354 /nfs/dbraw/zinc/56/13/54/806561354.db2.gz YVQCLBCJKDYMMI-GFCCVEGCSA-N 0 3 274.355 3.110 20 30 CGEDHN CC[C@H](CC#N)NC1([C@@H]2CCOC(C)(C)C2)CC1 ZINC001255164834 806563430 /nfs/dbraw/zinc/56/34/30/806563430.db2.gz RPYUIOROYNADPG-CHWSQXEVSA-N 0 3 250.386 3.006 20 30 CGEDHN N#CC1(CNc2cc(CN3CCCCC3)ccn2)CCC1 ZINC001162411492 806581162 /nfs/dbraw/zinc/58/11/62/806581162.db2.gz USZNZIZRBZYCLC-UHFFFAOYSA-N 0 3 284.407 3.173 20 30 CGEDHN C#CC1(Nc2ccc(CN(C)C3CC3)cn2)CCCCC1 ZINC001162479384 806595771 /nfs/dbraw/zinc/59/57/71/806595771.db2.gz BPZCOEBAPXDPSS-UHFFFAOYSA-N 0 3 283.419 3.424 20 30 CGEDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(C#N)cc1 ZINC000037508434 798868688 /nfs/dbraw/zinc/86/86/88/798868688.db2.gz UXUSKXUXOWXASI-LBPRGKRZSA-N 0 3 252.317 3.115 20 30 CGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000176527343 799099110 /nfs/dbraw/zinc/09/91/10/799099110.db2.gz XLCZKXHLXCJCAF-CYBMUJFWSA-N 0 3 290.750 3.344 20 30 CGEDHN Cc1ccc(CN(C)Cc2ccccc2)cc1C#N ZINC000700732868 799878456 /nfs/dbraw/zinc/87/84/56/799878456.db2.gz XJXQZLOOPQVSQG-UHFFFAOYSA-N 0 3 250.345 3.499 20 30 CGEDHN C#C[C@H](NCc1cnc2ccccc2c1)C(C)(C)C ZINC000702314891 799907762 /nfs/dbraw/zinc/90/77/62/799907762.db2.gz QADHCRXTWIQBHQ-INIZCTEOSA-N 0 3 252.361 3.372 20 30 CGEDHN C[C@H]1C[C@@H](NCc2nc(C#N)cs2)CC(C)(C)C1 ZINC000708294462 799985741 /nfs/dbraw/zinc/98/57/41/799985741.db2.gz OCYWCDKGKGISTN-WDEREUQCSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCCSCCNCc1ncc(C)c(OC)c1C ZINC000710180446 800030850 /nfs/dbraw/zinc/03/08/50/800030850.db2.gz KZDPWQHXJJZKHZ-UHFFFAOYSA-N 0 3 280.437 3.106 20 30 CGEDHN C=CCC1(NCc2cn(C)nc2Br)CCCC1 ZINC000712458854 800089515 /nfs/dbraw/zinc/08/95/15/800089515.db2.gz JWGTZYAWXJPTJM-UHFFFAOYSA-N 0 3 298.228 3.161 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1Cl)C1CCOCC1 ZINC000716497277 800173743 /nfs/dbraw/zinc/17/37/43/800173743.db2.gz KQNYRYOTLFENCF-UHFFFAOYSA-N 0 3 278.783 3.213 20 30 CGEDHN C=CCC1(O)CCN(Cc2cc(F)ccc2C)CC1 ZINC000717434588 800202226 /nfs/dbraw/zinc/20/22/26/800202226.db2.gz HFYHTRKTARCPRR-UHFFFAOYSA-N 0 3 263.356 3.037 20 30 CGEDHN CCCCCCCCCN[C@H](C)c1cn(C)nn1 ZINC000720551153 800261350 /nfs/dbraw/zinc/26/13/50/800261350.db2.gz BLGWJOVPOJWSLL-CYBMUJFWSA-N 0 3 252.406 3.216 20 30 CGEDHN N#Cc1cncc(CN2CCC3(CCCC3)CC2)c1 ZINC000721543309 800292100 /nfs/dbraw/zinc/29/21/00/800292100.db2.gz GXUSIABQRRHONC-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024631539 800732228 /nfs/dbraw/zinc/73/22/28/800732228.db2.gz MCLPIELZTVVEAE-KRWDZBQOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024662244 800734320 /nfs/dbraw/zinc/73/43/20/800734320.db2.gz UVJUORNJYWPGNC-IXDOHACOSA-N 0 3 292.467 3.215 20 30 CGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280916 800841207 /nfs/dbraw/zinc/84/12/07/800841207.db2.gz ZCTGTQPFWOUOOQ-SFHVURJKSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033076073 800952842 /nfs/dbraw/zinc/95/28/42/800952842.db2.gz KYFRGTLZNRPTCP-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033237556 800955631 /nfs/dbraw/zinc/95/56/31/800955631.db2.gz JVHUEOBORQCFQW-CYBMUJFWSA-N 0 3 292.448 3.033 20 30 CGEDHN C=C1CCC(C(=O)N(C)[C@H]2CCN(CC=C(C)C)C2)CC1 ZINC001033389763 800962695 /nfs/dbraw/zinc/96/26/95/800962695.db2.gz VCUKIDJTOFTYMG-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001034243959 801013048 /nfs/dbraw/zinc/01/30/48/801013048.db2.gz NCAIHLVMLZOKLX-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034274333 801015121 /nfs/dbraw/zinc/01/51/21/801015121.db2.gz SZKBSVMNQCHCKV-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034472185 801028315 /nfs/dbraw/zinc/02/83/15/801028315.db2.gz ROAQASZQHKAESI-OAHLLOKOSA-N 0 3 296.430 3.206 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1coc2c1cccc2C ZINC001038345384 801125097 /nfs/dbraw/zinc/12/50/97/801125097.db2.gz AGJAMDQVWFBQSC-AWEZNQCLSA-N 0 3 298.386 3.121 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039076559 801146219 /nfs/dbraw/zinc/14/62/19/801146219.db2.gz CGNHMUQQWLGLKH-UYSNPLJNSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cccc(Cl)c2)CC1 ZINC001045626434 801283546 /nfs/dbraw/zinc/28/35/46/801283546.db2.gz GDXICUYDEZAEQT-UHFFFAOYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(Cl)cc2)CC1 ZINC001045624479 801283563 /nfs/dbraw/zinc/28/35/63/801283563.db2.gz RVODEJNWOVUUKN-UHFFFAOYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001046860972 801329888 /nfs/dbraw/zinc/32/98/88/801329888.db2.gz RABGJSXEBVFFKX-CRAIPNDOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049306681 801361870 /nfs/dbraw/zinc/36/18/70/801361870.db2.gz DCEKBKNHUXYHDX-LSDHHAIUSA-N 0 3 290.432 3.003 20 30 CGEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049306673 801362916 /nfs/dbraw/zinc/36/29/16/801362916.db2.gz DCEKBKNHUXYHDX-GJZGRUSLSA-N 0 3 290.432 3.003 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(CC)cc1 ZINC001049875936 801391645 /nfs/dbraw/zinc/39/16/45/801391645.db2.gz NKRDVJXRHRSYKX-ROUUACIJSA-N 0 3 298.430 3.114 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049860287 801391925 /nfs/dbraw/zinc/39/19/25/801391925.db2.gz RTUKKKSPCSGMNL-NXHRZFHOSA-N 0 3 298.430 3.041 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)oc2C)CC[C@@H]1C ZINC001071333781 801529571 /nfs/dbraw/zinc/52/95/71/801529571.db2.gz BDAVOJFKPODJPH-WFASDCNBSA-N 0 3 290.407 3.055 20 30 CGEDHN CC(C)n1ncc2c1[C@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC001256580086 806921670 /nfs/dbraw/zinc/92/16/70/806921670.db2.gz DEOLPMHUVZVURK-NWANDNLSSA-N 0 3 272.396 3.123 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085579901 801695097 /nfs/dbraw/zinc/69/50/97/801695097.db2.gz ZJYFQGINQACSCA-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658629 801697979 /nfs/dbraw/zinc/69/79/79/801697979.db2.gz WZEUDPZFBPIVCB-NSHDSACASA-N 0 3 298.839 3.124 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715095 801700978 /nfs/dbraw/zinc/70/09/78/801700978.db2.gz BLCHBIWWQOGEPC-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CCCC)CC1 ZINC001085801707 801705755 /nfs/dbraw/zinc/70/57/55/801705755.db2.gz ADPQWQLRNLQNCC-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935510 801712281 /nfs/dbraw/zinc/71/22/81/801712281.db2.gz HFYKVZSMUDTRAK-BRWVUGGUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC(C)(C)C1 ZINC001085990033 801715986 /nfs/dbraw/zinc/71/59/86/801715986.db2.gz FWEPSNPGVZRLNK-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(C)(C)C1 ZINC001085990035 801717482 /nfs/dbraw/zinc/71/74/82/801717482.db2.gz FWEPSNPGVZRLNK-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C=CCCC1)C2 ZINC001095607039 801884712 /nfs/dbraw/zinc/88/47/12/801884712.db2.gz NNCURWJZCWZSRP-NCOADZHNSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC)cc1)C2 ZINC001096472025 801890174 /nfs/dbraw/zinc/89/01/74/801890174.db2.gz LWBHUFOOVPJBNF-SQNIBIBYSA-N 0 3 298.430 3.160 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCCC1)C2 ZINC001096868420 801895090 /nfs/dbraw/zinc/89/50/90/801895090.db2.gz XAEUPYPLUUVOBC-ZACQAIPSSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001099176619 801932103 /nfs/dbraw/zinc/93/21/03/801932103.db2.gz QYKLUXDYMGXIRK-HUUCEWRRSA-N 0 3 298.446 3.163 20 30 CGEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC ZINC001099207306 801934079 /nfs/dbraw/zinc/93/40/79/801934079.db2.gz AMTXNPHLKKXGRG-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1C ZINC001104035186 802044336 /nfs/dbraw/zinc/04/43/36/802044336.db2.gz HCEHWFWLNTVQBO-IUODEOHRSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC(C)C)C2 ZINC001109944128 802127274 /nfs/dbraw/zinc/12/72/74/802127274.db2.gz BFYMNLFCCAOFIV-NCOADZHNSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001111072613 802153974 /nfs/dbraw/zinc/15/39/74/802153974.db2.gz OPAKNKFVRCQWEL-OAGGEKHMSA-N 0 3 290.451 3.276 20 30 CGEDHN C=CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC)c1ccccc1 ZINC001111436784 802160409 /nfs/dbraw/zinc/16/04/09/802160409.db2.gz XLHQHOOFUPOWFR-XDNAFOTISA-N 0 3 298.430 3.088 20 30 CGEDHN C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(C[C@H](F)CC)C2 ZINC001111765040 802168569 /nfs/dbraw/zinc/16/85/69/802168569.db2.gz RJGUIZRMGYSGFT-UXLLHSPISA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001113217863 802206448 /nfs/dbraw/zinc/20/64/48/802206448.db2.gz MPHIZJKJQFFEEJ-TYWAAFNRSA-N 0 3 276.424 3.008 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001113245836 802209080 /nfs/dbraw/zinc/20/90/80/802209080.db2.gz AABIEPSSNXQPGP-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113229940 802209693 /nfs/dbraw/zinc/20/96/93/802209693.db2.gz UIWVPRWSEIFSEQ-HUUCEWRRSA-N 0 3 280.456 3.025 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCN(CC(CC)CC)CC1 ZINC001113248412 802210275 /nfs/dbraw/zinc/21/02/75/802210275.db2.gz YUTYBSUHBQTNME-OAHLLOKOSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001165215478 806975673 /nfs/dbraw/zinc/97/56/73/806975673.db2.gz ZOXMSKNWEKXYNP-UHFFFAOYSA-N 0 3 298.858 3.217 20 30 CGEDHN C=CCO[C@@H]1CCN(c2ccnc3cc(OC)ccc32)C1 ZINC001116539071 802374202 /nfs/dbraw/zinc/37/42/02/802374202.db2.gz JTLUXXUSLMPGJJ-CQSZACIVSA-N 0 3 284.359 3.025 20 30 CGEDHN Cc1ccn2cc(CN(C)[C@@H](C)CCCC#N)nc2c1 ZINC001172501456 808356629 /nfs/dbraw/zinc/35/66/29/808356629.db2.gz DAALPGXOVJPSRW-AWEZNQCLSA-N 0 3 270.380 3.157 20 30 CGEDHN COc1ccc(CN[C@H]2CCCc3ncccc32)cc1C#N ZINC001119340006 802651118 /nfs/dbraw/zinc/65/11/18/802651118.db2.gz PUVMPPYNUKRCGS-KRWDZBQOSA-N 0 3 293.370 3.129 20 30 CGEDHN CS[C@@H]1CC[C@H](N(C)CC#Cc2ccccc2)C1 ZINC001119929106 802708263 /nfs/dbraw/zinc/70/82/63/802708263.db2.gz JDKAJHRETPXTEB-JKSUJKDBSA-N 0 3 259.418 3.254 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CCF)C1 ZINC001120393488 802743827 /nfs/dbraw/zinc/74/38/27/802743827.db2.gz VPYKSDCSOKLDFM-CVEARBPZSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@H](C)CC)C2 ZINC001121014162 802800060 /nfs/dbraw/zinc/80/00/60/802800060.db2.gz HBXHMMVURQNUBK-NYKNNPSKSA-N 0 3 298.858 3.192 20 30 CGEDHN C[C@@H](CC#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC001122422197 802869820 /nfs/dbraw/zinc/86/98/20/802869820.db2.gz XJLOQDCKLUVDDD-AWEZNQCLSA-N 0 3 286.375 3.131 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC1CCCCC1 ZINC001123232681 802919010 /nfs/dbraw/zinc/91/90/10/802919010.db2.gz BVNKIYITWCQLEV-NSHDSACASA-N 0 3 279.771 3.220 20 30 CGEDHN CCCC[C@@](C)(F)C(=O)C(C#N)c1ncc(Cl)n1C ZINC001123232539 802919112 /nfs/dbraw/zinc/91/91/12/802919112.db2.gz ACOYILQGOTZJMB-NOZJJQNGSA-N 0 3 285.750 3.168 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001123234314 802920432 /nfs/dbraw/zinc/92/04/32/802920432.db2.gz UCMVPCSJUVHUKN-MGPQQGTHSA-N 0 3 285.391 3.318 20 30 CGEDHN CC[C@@H](F)C(=O)C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001123246745 802922146 /nfs/dbraw/zinc/92/21/46/802922146.db2.gz AYEZSXRFINFBKB-IONNQARKSA-N 0 3 279.702 3.141 20 30 CGEDHN C=CCC(CC=C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123475721 802947372 /nfs/dbraw/zinc/94/73/72/802947372.db2.gz HLVNRKPWMASWSD-LBPRGKRZSA-N 0 3 276.286 3.304 20 30 CGEDHN COc1ccc(-c2ccc(CN(C)C3CC3)cn2)c(C#N)c1 ZINC001243727239 802968070 /nfs/dbraw/zinc/96/80/70/802968070.db2.gz QAHZPMNRPULYEZ-UHFFFAOYSA-N 0 3 293.370 3.223 20 30 CGEDHN CN1CCc2cc(C3=CC[C@@H](C#N)CC3)ccc2C1 ZINC001243793700 803011916 /nfs/dbraw/zinc/01/19/16/803011916.db2.gz NIQHLALJTNLPCA-CYBMUJFWSA-N 0 3 252.361 3.382 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CC(C)C)CC2)CC[C@H]1C ZINC001132086955 803373330 /nfs/dbraw/zinc/37/33/30/803373330.db2.gz KYHHJNAXUJHETG-CVEARBPZSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCCC1(C(=O)N[C@H]2CC[C@H](C)N(CC(=C)C)C2)CC1 ZINC001132277217 803391140 /nfs/dbraw/zinc/39/11/40/803391140.db2.gz CQPZKYPHQQSCLH-HOTGVXAUSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001132308493 803393410 /nfs/dbraw/zinc/39/34/10/803393410.db2.gz IUCLHRGRNXFUEO-ZDUSSCGKSA-N 0 3 292.398 3.195 20 30 CGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001132569637 803414483 /nfs/dbraw/zinc/41/44/83/803414483.db2.gz VPMGCNOJPGFHSN-STQMWFEESA-N 0 3 294.826 3.004 20 30 CGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001132569635 803414546 /nfs/dbraw/zinc/41/45/46/803414546.db2.gz VPMGCNOJPGFHSN-OLZOCXBDSA-N 0 3 294.826 3.004 20 30 CGEDHN CN(Cc1ccc(-c2cc(C#N)ccc2F)nc1)C1CC1 ZINC001244552731 803434644 /nfs/dbraw/zinc/43/46/44/803434644.db2.gz PVARSRNPQCAJFV-UHFFFAOYSA-N 0 3 281.334 3.354 20 30 CGEDHN C=CCC1(C(=O)NCCNCc2csc(C)c2)CCC1 ZINC001133395723 803473586 /nfs/dbraw/zinc/47/35/86/803473586.db2.gz XVXSGZRINIBZHF-UHFFFAOYSA-N 0 3 292.448 3.009 20 30 CGEDHN C[C@@]1(F)CCCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001137115296 803684918 /nfs/dbraw/zinc/68/49/18/803684918.db2.gz HOKVYYPHEHRMSG-MRXNPFEDSA-N 0 3 276.355 3.303 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)cc1OC)C(C)(C)C ZINC001137455034 803734632 /nfs/dbraw/zinc/73/46/32/803734632.db2.gz BRKYPWIBSVXZCX-UHFFFAOYSA-N 0 3 291.391 3.268 20 30 CGEDHN CN(Cc1ccc(-c2ccc(C#N)cc2)nc1)C1CC1 ZINC001245493469 803765421 /nfs/dbraw/zinc/76/54/21/803765421.db2.gz WNARYPQRVZBPQB-UHFFFAOYSA-N 0 3 263.344 3.214 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc3cc(C)ccc3[nH]2)C1 ZINC001138420153 803926969 /nfs/dbraw/zinc/92/69/69/803926969.db2.gz PMXCDPOEBZTJGW-CQSZACIVSA-N 0 3 252.361 3.322 20 30 CGEDHN C#CCOc1ccc(CN2CCC(OCCC)CC2)cc1 ZINC001138558630 803968877 /nfs/dbraw/zinc/96/88/77/803968877.db2.gz BSGNZVFTAIILFU-UHFFFAOYSA-N 0 3 287.403 3.090 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1[O-] ZINC001138625438 803982086 /nfs/dbraw/zinc/98/20/86/803982086.db2.gz KXFBYLSNVNTLIY-RHSMWYFYSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c1[O-] ZINC001138625438 803982093 /nfs/dbraw/zinc/98/20/93/803982093.db2.gz KXFBYLSNVNTLIY-RHSMWYFYSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c1[O-] ZINC001138625865 803983505 /nfs/dbraw/zinc/98/35/05/803983505.db2.gz VLXIPHHHOQBMID-WFASDCNBSA-N 0 3 263.356 3.301 20 30 CGEDHN C=CCc1cccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)c1[O-] ZINC001138625865 803983509 /nfs/dbraw/zinc/98/35/09/803983509.db2.gz VLXIPHHHOQBMID-WFASDCNBSA-N 0 3 263.356 3.301 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](OC)CC2)c1[O-] ZINC001138628379 803985064 /nfs/dbraw/zinc/98/50/64/803985064.db2.gz UASZHNIZCZOIGI-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](OC)CC2)c1[O-] ZINC001138628379 803985068 /nfs/dbraw/zinc/98/50/68/803985068.db2.gz UASZHNIZCZOIGI-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCN(CC)[C@H](C)C1 ZINC001138666817 804000472 /nfs/dbraw/zinc/00/04/72/804000472.db2.gz FFCQVAURLYJYEC-MRXNPFEDSA-N 0 3 288.435 3.168 20 30 CGEDHN CC(C)([NH3+])c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001245914111 804041575 /nfs/dbraw/zinc/04/15/75/804041575.db2.gz WXHHSLOYTDIGIV-UHFFFAOYSA-N 0 3 254.333 3.356 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](CF)C1 ZINC001139029787 804113851 /nfs/dbraw/zinc/11/38/51/804113851.db2.gz NVKPPRMHXQFYMB-AWEZNQCLSA-N 0 3 263.356 3.433 20 30 CGEDHN C=CCOc1ccccc1CN1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001139030239 804114692 /nfs/dbraw/zinc/11/46/92/804114692.db2.gz BAZDBMJDOMWEES-HOCLYGCPSA-N 0 3 285.387 3.052 20 30 CGEDHN CCCCCCCCC[C@H](C)N[C@H]1CNCCC1=O ZINC001246293055 804261648 /nfs/dbraw/zinc/26/16/48/804261648.db2.gz OVIQEKSPANTFOA-GJZGRUSLSA-N 0 3 268.445 3.036 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001139869653 804303137 /nfs/dbraw/zinc/30/31/37/804303137.db2.gz OQKOGDUJXUHGQL-ZSHCYNCHSA-N 0 3 280.456 3.025 20 30 CGEDHN COc1cc(CN2CCC[C@H](C#N)CC2)ccc1C ZINC001140159784 804392073 /nfs/dbraw/zinc/39/20/73/804392073.db2.gz ZIEYOXKTEQBDAZ-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@H]32)cn1 ZINC001140543606 804458805 /nfs/dbraw/zinc/45/88/05/804458805.db2.gz CSUNHLIBKAKSTH-GOEBONIOSA-N 0 3 255.365 3.108 20 30 CGEDHN C=CCC1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001140633221 804477843 /nfs/dbraw/zinc/47/78/43/804477843.db2.gz GJRXYVSPJKEONT-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc3ccncc32)CC1 ZINC001140644156 804482642 /nfs/dbraw/zinc/48/26/42/804482642.db2.gz BHHQYXCECRZJLJ-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN N#CCCN(Cc1cnc2cc[nH]cc1-2)C1CCCC1 ZINC001140803147 804520144 /nfs/dbraw/zinc/52/01/44/804520144.db2.gz LPPIQLFOKIKQKX-UHFFFAOYSA-N 0 3 268.364 3.221 20 30 CGEDHN N#CCCN(Cc1c[nH]c2ccncc12)C1CCCC1 ZINC001140803147 804520150 /nfs/dbraw/zinc/52/01/50/804520150.db2.gz LPPIQLFOKIKQKX-UHFFFAOYSA-N 0 3 268.364 3.221 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140980697 804561231 /nfs/dbraw/zinc/56/12/31/804561231.db2.gz HWGGMVNWHNIYII-UHFFFAOYSA-N 0 3 292.386 3.269 20 30 CGEDHN C[C@@H]1CCCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141106828 804589931 /nfs/dbraw/zinc/58/99/31/804589931.db2.gz JFWHTWMVDWSURB-SECBINFHSA-N 0 3 283.828 3.477 20 30 CGEDHN C=CCCCCN(C)Cc1cnc(C(F)(F)F)nc1 ZINC001141464615 804643917 /nfs/dbraw/zinc/64/39/17/804643917.db2.gz CRTAFGIIQUTLTL-UHFFFAOYSA-N 0 3 273.302 3.284 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3cc(F)ccc3n2)C1 ZINC001141648816 804661098 /nfs/dbraw/zinc/66/10/98/804661098.db2.gz GOCVJBSRXYZWIK-CYBMUJFWSA-N 0 3 268.335 3.219 20 30 CGEDHN C[Si](C)(C)c1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001141732689 804665244 /nfs/dbraw/zinc/66/52/44/804665244.db2.gz PFMJVPLPBIGOHK-OSYLJGHBSA-N 0 3 298.506 3.498 20 30 CGEDHN C=CCN(C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC001141705580 804665394 /nfs/dbraw/zinc/66/53/94/804665394.db2.gz RSRJOUQPYUEHSI-JYJNAYRXSA-N 0 3 286.419 3.467 20 30 CGEDHN C=CCN(Cc1ccc(COC(C)=O)o1)C(C)(C)C ZINC001141793816 804670086 /nfs/dbraw/zinc/67/00/86/804670086.db2.gz JMDUCGPYSADZNY-UHFFFAOYSA-N 0 3 265.353 3.129 20 30 CGEDHN CSc1nc(CN2CCC[C@@H]2C(C)C)ccc1C#N ZINC001141943572 804682470 /nfs/dbraw/zinc/68/24/70/804682470.db2.gz AHZWDSANPRYAAX-CQSZACIVSA-N 0 3 275.421 3.296 20 30 CGEDHN O=C1C=C2CN(Cc3csc(Cl)c3)CCC2S1 ZINC001142763338 804764786 /nfs/dbraw/zinc/76/47/86/804764786.db2.gz XGMGGGUBRWAQMX-SNVBAGLBSA-N 0 3 285.821 3.176 20 30 CGEDHN N#CC1CCN(Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144238301 804958769 /nfs/dbraw/zinc/95/87/69/804958769.db2.gz KGMSLTWTGVAFGV-UHFFFAOYSA-N 0 3 265.360 3.213 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248816938 805004503 /nfs/dbraw/zinc/00/45/03/805004503.db2.gz BUICBJBASRNYRC-LBPRGKRZSA-N 0 3 271.339 3.433 20 30 CGEDHN CCCCCCN(C)CC(=O)N(CCC#N)CC(C)(C)C ZINC001144730444 805044027 /nfs/dbraw/zinc/04/40/27/805044027.db2.gz RELKELXFLDJDLR-UHFFFAOYSA-N 0 3 295.471 3.287 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCC1CCCCCC1 ZINC001154356317 805450969 /nfs/dbraw/zinc/45/09/69/805450969.db2.gz QTBUWNKAADDJOE-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)CC(C)=C(C)C)CC1 ZINC001166624781 807072047 /nfs/dbraw/zinc/07/20/47/807072047.db2.gz NIRURBLLAMLDEY-UHFFFAOYSA-N 0 3 298.858 3.361 20 30 CGEDHN CCCCOC(=O)CC[C@@H](C)N1CCC[C@@H](CC#N)C1 ZINC001257399516 807136782 /nfs/dbraw/zinc/13/67/82/807136782.db2.gz DAVQOGALRROCLP-CABCVRRESA-N 0 3 280.412 3.124 20 30 CGEDHN Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1C#N ZINC001167101347 807149983 /nfs/dbraw/zinc/14/99/83/807149983.db2.gz VVLDSQFFDXEXAF-INIZCTEOSA-N 0 3 292.386 3.036 20 30 CGEDHN C#CCN(CC)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001167578056 807207751 /nfs/dbraw/zinc/20/77/51/807207751.db2.gz WXXZOHNXFIXXDF-IRXDYDNUSA-N 0 3 257.377 3.252 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(c2cccnn2)CC1 ZINC001258049430 807275644 /nfs/dbraw/zinc/27/56/44/807275644.db2.gz HSSQJPKMHDLRJX-INIZCTEOSA-N 0 3 290.455 3.348 20 30 CGEDHN C[C@H]1CC(NC(=N)c2ccc(Cl)cn2)C[C@H](C)C1 ZINC001258154336 807324521 /nfs/dbraw/zinc/32/45/21/807324521.db2.gz WRRSFMNRWJETNG-NXEZZACHSA-N 0 3 265.788 3.265 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001168307515 807377194 /nfs/dbraw/zinc/37/71/94/807377194.db2.gz CPMFOCOXZJYLMZ-HONMWMINSA-N 0 3 262.303 3.206 20 30 CGEDHN CCCCCCCCC[C@H](C)N[C@H]1C=CS(=O)(=O)C1 ZINC001258229032 807377862 /nfs/dbraw/zinc/37/78/62/807377862.db2.gz LTVCYBMOMTZGRW-GJZGRUSLSA-N 0 3 287.469 3.416 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001258729467 807575684 /nfs/dbraw/zinc/57/56/84/807575684.db2.gz VIYYXBBMSYPEEQ-KGLIPLIRSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001258728967 807576713 /nfs/dbraw/zinc/57/67/13/807576713.db2.gz RPNYRONHQBJYKI-RDBSUJKOSA-N 0 3 280.412 3.035 20 30 CGEDHN C=CCC[C@H](C)N1CCN(c2ccc(F)cc2F)CC1 ZINC001258735433 807580701 /nfs/dbraw/zinc/58/07/01/807580701.db2.gz UNLUIHTZKAGOQW-ZDUSSCGKSA-N 0 3 280.362 3.442 20 30 CGEDHN CC[C@H](C[C@@H](C)CC)NCc1ncc(C#N)s1 ZINC001258785969 807611825 /nfs/dbraw/zinc/61/18/25/807611825.db2.gz YANUBNORXHYDHU-WDEREUQCSA-N 0 3 251.399 3.319 20 30 CGEDHN C[C@H](NC(=O)[C@@H](N)CC1CCCCC1)c1cccc(C#N)c1 ZINC001262047410 807813708 /nfs/dbraw/zinc/81/37/08/807813708.db2.gz OTPJSGCOVJYVNA-GUYCJALGSA-N 0 3 299.418 3.033 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cc(F)cc(F)c3C2)CCC1 ZINC001170654794 807869064 /nfs/dbraw/zinc/86/90/64/807869064.db2.gz KTMRNLAILUDVBA-ZDUSSCGKSA-N 0 3 276.330 3.106 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2c(C)cc(C#N)cc2C)n1 ZINC001263284027 807943876 /nfs/dbraw/zinc/94/38/76/807943876.db2.gz SCFCQVNNEBXQEU-CYBMUJFWSA-N 0 3 295.367 3.430 20 30 CGEDHN N#CC1(CN[C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171024621 807962498 /nfs/dbraw/zinc/96/24/98/807962498.db2.gz KRTNTKNCGAPIBY-LBPRGKRZSA-N 0 3 260.768 3.091 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H]1COc2ccc(F)cc21 ZINC001171190059 808004012 /nfs/dbraw/zinc/00/40/12/808004012.db2.gz PGLZCSCKGUXFEM-PXAZEXFGSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCC1CCCC1 ZINC001264179511 808044272 /nfs/dbraw/zinc/04/42/72/808044272.db2.gz YFQFNIAYYFHZDV-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)CCC)CC(C)(C)C1 ZINC001264195243 808047552 /nfs/dbraw/zinc/04/75/52/808047552.db2.gz OVXJDDDNQWIIJK-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1ccccc1 ZINC001264258998 808054568 /nfs/dbraw/zinc/05/45/68/808054568.db2.gz AELRHFXCYVGUBV-UHFFFAOYSA-N 0 3 288.435 3.179 20 30 CGEDHN C#C[C@H]1CCCN([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171544476 808089969 /nfs/dbraw/zinc/08/99/69/808089969.db2.gz VFPGLPILVNEPMC-AAEUAGOBSA-N 0 3 293.332 3.306 20 30 CGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001265655510 808166024 /nfs/dbraw/zinc/16/60/24/808166024.db2.gz JOSZVSYDFAFMDH-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN[C@@H](C)CNC(=O)C1CCC(CCCC)CC1 ZINC001265861645 808188928 /nfs/dbraw/zinc/18/89/28/808188928.db2.gz UCHXYEGDLKFNFS-GTPINHCMSA-N 0 3 292.467 3.101 20 30 CGEDHN CC(C)c1cc(CN[C@@H](C)Cc2ccc(C#N)cc2)on1 ZINC001172296530 808218948 /nfs/dbraw/zinc/21/89/48/808218948.db2.gz AMQGASNHPRRPDA-ZDUSSCGKSA-N 0 3 283.375 3.390 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCCC[C@@H](F)C1 ZINC001172316950 808226584 /nfs/dbraw/zinc/22/65/84/808226584.db2.gz YXHNZKBWASXFFI-XJKSGUPXSA-N 0 3 260.356 3.313 20 30 CGEDHN CC[C@H](C)OCC[C@@H](C)NC1(CC#N)CCCC1 ZINC001172337451 808239163 /nfs/dbraw/zinc/23/91/63/808239163.db2.gz KJHAENLZHLUADB-KGLIPLIRSA-N 0 3 252.402 3.396 20 30 CGEDHN CC(C)COCC[C@@H](C)NCc1ccccc1C#N ZINC001172458849 808328959 /nfs/dbraw/zinc/32/89/59/808328959.db2.gz CPGLMMWZPKKDDE-CQSZACIVSA-N 0 3 260.381 3.099 20 30 CGEDHN CCCCCCCC[C@H](CC)N[C@@H]1C=CS(=O)(=O)C1 ZINC001172504647 808361415 /nfs/dbraw/zinc/36/14/15/808361415.db2.gz HNEGPMFVMSUFPZ-LSDHHAIUSA-N 0 3 287.469 3.416 20 30 CGEDHN C[C@H](CCCC#N)N1CC2(CCN2Cc2ccccc2)C1 ZINC001172507521 808365246 /nfs/dbraw/zinc/36/52/46/808365246.db2.gz VQUSFRRWKRBMKR-MRXNPFEDSA-N 0 3 283.419 3.029 20 30 CGEDHN C#CCN(CCC)CCNC(=O)C[C@@H](C)C1CCCCC1 ZINC001267318657 808414147 /nfs/dbraw/zinc/41/41/47/808414147.db2.gz QDJWATLVEMXLFY-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(CCCCCF)C1 ZINC001267629411 808460693 /nfs/dbraw/zinc/46/06/93/808460693.db2.gz UVEVGAJLVFQIES-HNNXBMFYSA-N 0 3 298.446 3.309 20 30 CGEDHN N#CC1(CN[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172897001 808474353 /nfs/dbraw/zinc/47/43/53/808474353.db2.gz WCXRLGRGLSLNRZ-HNNXBMFYSA-N 0 3 299.374 3.126 20 30 CGEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2ncsc2C1 ZINC001173139473 808523842 /nfs/dbraw/zinc/52/38/42/808523842.db2.gz UHFUSGLXFHBVQC-CYBMUJFWSA-N 0 3 275.421 3.159 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)/C=C(/C)CC)CCCC1 ZINC001268036369 808530331 /nfs/dbraw/zinc/53/03/31/808530331.db2.gz SEJQJULLMROVHC-XFXZXTDPSA-N 0 3 284.831 3.114 20 30 CGEDHN CC1(C#N)CCC(N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001173598687 808651349 /nfs/dbraw/zinc/65/13/49/808651349.db2.gz UKAPSLVUGCXZTH-XBMUEBEBSA-N 0 3 298.430 3.402 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001269186934 808653062 /nfs/dbraw/zinc/65/30/62/808653062.db2.gz KGVOPLAUQCQAQO-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001269301266 808665413 /nfs/dbraw/zinc/66/54/13/808665413.db2.gz IVUZIVKYPJEIKF-OOFWQKGWSA-N 0 3 298.430 3.117 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001269582802 808689966 /nfs/dbraw/zinc/68/99/66/808689966.db2.gz ACOAPAXVDVQJLR-ZACQAIPSSA-N 0 3 292.467 3.454 20 30 CGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCCC ZINC001272045146 808794949 /nfs/dbraw/zinc/79/49/49/808794949.db2.gz UGKOIGMHBJPLBD-IAGOWNOFSA-N 0 3 290.451 3.045 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H](F)CC ZINC001272675083 808820786 /nfs/dbraw/zinc/82/07/86/808820786.db2.gz GHTISZIWZCSZCE-MRXNPFEDSA-N 0 3 292.398 3.059 20 30 CGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)C ZINC001275131425 808913913 /nfs/dbraw/zinc/91/39/13/808913913.db2.gz RLMAAOANZREISF-IYBDPMFKSA-N 0 3 295.471 3.223 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](CCC)C(C)C ZINC001275150655 808917095 /nfs/dbraw/zinc/91/70/95/808917095.db2.gz KYXHGNKBGQQEIM-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001276003876 808983940 /nfs/dbraw/zinc/98/39/40/808983940.db2.gz VDFQPLSWXSVNEG-LBPRGKRZSA-N 0 3 294.464 3.282 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)CCCc1ccc(C)s1 ZINC001276021617 808984740 /nfs/dbraw/zinc/98/47/40/808984740.db2.gz VYIASEYARBHPHK-CYBMUJFWSA-N 0 3 294.464 3.002 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001276453762 809010147 /nfs/dbraw/zinc/01/01/47/809010147.db2.gz POXJQSZZJGPBRU-LSDHHAIUSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001276892338 809041939 /nfs/dbraw/zinc/04/19/39/809041939.db2.gz QJZGGBNDWMXSRL-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCC(=O)N1CC[C@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001277459594 809076087 /nfs/dbraw/zinc/07/60/87/809076087.db2.gz QSPRTXWWTSWEJK-NVXWUHKLSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001279644126 809177308 /nfs/dbraw/zinc/17/73/08/809177308.db2.gz NELSTUQVUJDKJR-HNNXBMFYSA-N 0 3 292.467 3.383 20 30 CGEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C[C@H]1C ZINC001281684736 809217862 /nfs/dbraw/zinc/21/78/62/809217862.db2.gz KFPDUSHCWOAAGC-HZPDHXFCSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CCC)CC(C)C ZINC001177187386 809786502 /nfs/dbraw/zinc/78/65/02/809786502.db2.gz GIHBEJREFITIJH-AWEZNQCLSA-N 0 3 288.863 3.297 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CCC)CC(C)C ZINC001177187387 809786535 /nfs/dbraw/zinc/78/65/35/809786535.db2.gz GIHBEJREFITIJH-CQSZACIVSA-N 0 3 288.863 3.297 20 30 CGEDHN C=C(CNCc1ccc2oc(=O)oc2c1)c1ccccc1 ZINC001177688307 809815405 /nfs/dbraw/zinc/81/54/05/809815405.db2.gz RVGKLMMUYOASSB-UHFFFAOYSA-N 0 3 281.311 3.189 20 30 CGEDHN N#Cc1cc(CNCCOc2ccccc2Cl)cs1 ZINC001178280404 809858138 /nfs/dbraw/zinc/85/81/38/809858138.db2.gz BEUCZRAKZMVCOU-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001186918995 810373004 /nfs/dbraw/zinc/37/30/04/810373004.db2.gz LKWBAINXIDRYHK-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN CCCCCCCCNC(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001191068504 810669563 /nfs/dbraw/zinc/66/95/63/810669563.db2.gz PKFADZOUKMJNDV-HZPDHXFCSA-N 0 3 295.471 3.083 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192514274 810804869 /nfs/dbraw/zinc/80/48/69/810804869.db2.gz WVBRVLVVOXGEKX-HUUCEWRRSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cnc(N(C)C)c2ccccc12 ZINC001193363643 810878604 /nfs/dbraw/zinc/87/86/04/810878604.db2.gz IGMAMNCDDHTIGF-UHFFFAOYSA-N 0 3 281.403 3.144 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H](C)CC(C)(C)C)n1 ZINC001194010721 810999557 /nfs/dbraw/zinc/99/95/57/810999557.db2.gz YRJAPDCVIWUXPD-HNNXBMFYSA-N 0 3 275.440 3.411 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2ccc(C)s2)CC1 ZINC001194674441 811105188 /nfs/dbraw/zinc/10/51/88/811105188.db2.gz ZRVYWFTWVITPBS-UHFFFAOYSA-N 0 3 292.448 3.171 20 30 CGEDHN C#CCN(CCC(=O)OC(C)C)[C@@H]1CCCc2ccccc21 ZINC001198103871 811476477 /nfs/dbraw/zinc/47/64/77/811476477.db2.gz KPMYRMDSPGKCTA-GOSISDBHSA-N 0 3 299.414 3.341 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001198309192 811491425 /nfs/dbraw/zinc/49/14/25/811491425.db2.gz BHWIIKCCDSXCMQ-KRWDZBQOSA-N 0 3 292.467 3.006 20 30 CGEDHN C#C[C@H]1CCCCN1Cc1cnc(N(C)C)c2ccccc12 ZINC001198525508 811511412 /nfs/dbraw/zinc/51/14/12/811511412.db2.gz NFJGCDVCWFVYCU-INIZCTEOSA-N 0 3 293.414 3.289 20 30 CGEDHN CCCCCCCCCNC(=S)N1CC(C)(N(C)C)C1 ZINC001200375965 811683473 /nfs/dbraw/zinc/68/34/73/811683473.db2.gz NXVXDLRBAJITTN-UHFFFAOYSA-N 0 3 299.528 3.247 20 30 CGEDHN CCCCCCCN1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201762768 811963359 /nfs/dbraw/zinc/96/33/59/811963359.db2.gz UFSLEIITLDEKHL-MRXNPFEDSA-N 0 3 293.455 3.326 20 30 CGEDHN CCCCCCCCN1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001201839809 811969001 /nfs/dbraw/zinc/96/90/01/811969001.db2.gz JVTQAFSZNDFVRC-QLFBSQMISA-N 0 3 267.413 3.373 20 30 CGEDHN CCCCCCCCCN1CC(CC(=O)OC)C1 ZINC001201847196 811971505 /nfs/dbraw/zinc/97/15/05/811971505.db2.gz SPEWFSYFXBJESC-UHFFFAOYSA-N 0 3 255.402 3.232 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(C)cc(C)c1 ZINC001202851989 812187067 /nfs/dbraw/zinc/18/70/67/812187067.db2.gz FIZHIGLWKDDUNF-INIZCTEOSA-N 0 3 287.407 3.075 20 30 CGEDHN C=CCCN(Cc1cc(C)[nH]n1)Cc1ccccc1 ZINC001203076746 812233411 /nfs/dbraw/zinc/23/34/11/812233411.db2.gz JLMFMLJOOBFZGG-UHFFFAOYSA-N 0 3 255.365 3.296 20 30 CGEDHN CC1(C)CN(Cc2cccc(C#N)c2)CCC1(F)F ZINC001203757372 812456918 /nfs/dbraw/zinc/45/69/18/812456918.db2.gz LWXFFYLMZNUPAS-UHFFFAOYSA-N 0 3 264.319 3.425 20 30 CGEDHN CN(CCCC(=O)c1cccnc1)Cc1ccc(C#N)cc1 ZINC001203905250 812488196 /nfs/dbraw/zinc/48/81/96/812488196.db2.gz ALLHYRFOECCHEX-UHFFFAOYSA-N 0 3 293.370 3.048 20 30 CGEDHN O=C1C=C2CN(Cc3ccnc4ccccc34)CCC2S1 ZINC001204083708 812544825 /nfs/dbraw/zinc/54/48/25/812544825.db2.gz WCCQTTKRMYSXME-INIZCTEOSA-N 0 3 296.395 3.009 20 30 CGEDHN O=C1C=C2CN(Cc3ccnc4ccccc34)CC[C@@H]2S1 ZINC001204083708 812544828 /nfs/dbraw/zinc/54/48/28/812544828.db2.gz WCCQTTKRMYSXME-INIZCTEOSA-N 0 3 296.395 3.009 20 30 CGEDHN O=C1C=C2CN(Cc3ccnc4ccccc34)CCC2S1 ZINC001204083709 812544855 /nfs/dbraw/zinc/54/48/55/812544855.db2.gz WCCQTTKRMYSXME-MRXNPFEDSA-N 0 3 296.395 3.009 20 30 CGEDHN O=C1C=C2CN(Cc3ccnc4ccccc34)CC[C@H]2S1 ZINC001204083709 812544859 /nfs/dbraw/zinc/54/48/59/812544859.db2.gz WCCQTTKRMYSXME-MRXNPFEDSA-N 0 3 296.395 3.009 20 30 CGEDHN C#CCN(Cc1cc(F)cc(OCC)c1)CC1CC1 ZINC001204640191 812699085 /nfs/dbraw/zinc/69/90/85/812699085.db2.gz DHBIZLLTKONZGV-UHFFFAOYSA-N 0 3 261.340 3.070 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cc(C)cc(C)c2)no1 ZINC001206094928 813199062 /nfs/dbraw/zinc/19/90/62/813199062.db2.gz ZVTKSDHBSDWVPY-UHFFFAOYSA-N 0 3 283.375 3.462 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001207085343 813482498 /nfs/dbraw/zinc/48/24/98/813482498.db2.gz PELYRSRVUKYASB-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[C@H](C2)C3C(=O)OC)CC1 ZINC001208179170 813730515 /nfs/dbraw/zinc/73/05/15/813730515.db2.gz PKOXZEWIHOJWFL-VPSFDDGASA-N 0 3 289.419 3.030 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H](NC[C@H](F)CC)C1 ZINC001208193629 813738924 /nfs/dbraw/zinc/73/89/24/813738924.db2.gz JHKGOFVCOKLLKO-CVEARBPZSA-N 0 3 296.430 3.084 20 30 CGEDHN N#Cc1cccc(CCCN2CCc3occc3C2)c1 ZINC001208850579 813864785 /nfs/dbraw/zinc/86/47/85/813864785.db2.gz FBAZDAOQIJULMH-UHFFFAOYSA-N 0 3 266.344 3.142 20 30 CGEDHN N#Cc1ccc(CCCN2CC3(C2)CC(F)(F)C3)cc1 ZINC001208860873 813870919 /nfs/dbraw/zinc/87/09/19/813870919.db2.gz VEDIWNYVPWKYJC-UHFFFAOYSA-N 0 3 276.330 3.222 20 30 CGEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC001209269844 813989246 /nfs/dbraw/zinc/98/92/46/813989246.db2.gz QZILLXQWLPTVBL-OAHLLOKOSA-N 0 3 294.439 3.121 20 30 CGEDHN C#CCCCN1CCC2(CC1)CC(=O)c1cc(C)ccc1O2 ZINC001209269493 813989785 /nfs/dbraw/zinc/98/97/85/813989785.db2.gz MVFJQDIUZJLHKW-UHFFFAOYSA-N 0 3 297.398 3.208 20 30 CGEDHN C=CCCCCCN1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001209424318 814026272 /nfs/dbraw/zinc/02/62/72/814026272.db2.gz PCMXXNJESDVUEL-MRXNPFEDSA-N 0 3 291.439 3.102 20 30 CGEDHN C=CCCCCCCN1CC(N2CCC(F)CC2)C1 ZINC001209435954 814037390 /nfs/dbraw/zinc/03/73/90/814037390.db2.gz LEZOZXJHGWTCES-UHFFFAOYSA-N 0 3 268.420 3.241 20 30 CGEDHN C=CCCCCCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC001209441237 814041797 /nfs/dbraw/zinc/04/17/97/814041797.db2.gz WHMWBGYNQFUIHK-AWEZNQCLSA-N 0 3 272.383 3.148 20 30 CGEDHN C=CCCCCCCCCN1C[C@H](F)C[C@H]1CO ZINC001209442235 814042553 /nfs/dbraw/zinc/04/25/53/814042553.db2.gz CDZLVOIKGPGKCF-CABCVRRESA-N 0 3 257.393 3.308 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001210112549 814295551 /nfs/dbraw/zinc/29/55/51/814295551.db2.gz XIWFAHXWOPAYLU-BZUAXINKSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCC2CCCCC2)C1 ZINC001210757735 814612564 /nfs/dbraw/zinc/61/25/64/814612564.db2.gz SGINGJVUUQCLOF-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(F)cc2)no1 ZINC001211436301 814891447 /nfs/dbraw/zinc/89/14/47/814891447.db2.gz HVJPQGKTMUBVNZ-UHFFFAOYSA-N 0 3 287.338 3.375 20 30 CGEDHN CCCCCCC[C@H](CC)OC[C@H]1CNCCO1 ZINC001217890613 815991866 /nfs/dbraw/zinc/99/18/66/815991866.db2.gz JOQOLQJGOXKRKI-LSDHHAIUSA-N 0 3 257.418 3.131 20 30 CGEDHN N#Cc1ccc2ccc(O[C@@H]3CNCCC3(F)F)cc2c1 ZINC001218449257 816219206 /nfs/dbraw/zinc/21/92/06/816219206.db2.gz SNEPUNICFOMLGK-OAHLLOKOSA-N 0 3 288.297 3.087 20 30 CGEDHN CC#Cc1cncc(-c2ccc3c(N)ccnc3c2)c1 ZINC001242941524 823181413 /nfs/dbraw/zinc/18/14/13/823181413.db2.gz NKKAAOCXMGKRKC-UHFFFAOYSA-N 0 3 259.312 3.250 20 30 CGEDHN N#CCCCCCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224375835 816789718 /nfs/dbraw/zinc/78/97/18/816789718.db2.gz MFYXPOWEONAMQG-CALCHBBNSA-N 0 3 294.439 3.120 20 30 CGEDHN C=C[C@H](CCCCCCC)OCCN1CCN(C)CC1 ZINC001224550354 816826653 /nfs/dbraw/zinc/82/66/53/816826653.db2.gz UPLRKOQNQKTGBO-QGZVFWFLSA-N 0 3 282.472 3.166 20 30 CGEDHN C[C@H](c1ccccn1)N1CC[C@@H](OCCCCCC#N)C1 ZINC001224690153 816853772 /nfs/dbraw/zinc/85/37/72/816853772.db2.gz PHNRIDMZDASPCH-HZPDHXFCSA-N 0 3 287.407 3.317 20 30 CGEDHN CC#CCN1CCC(CNC(=O)[C@@](C)(CC)CCC)CC1 ZINC001224988864 816923840 /nfs/dbraw/zinc/92/38/40/816923840.db2.gz FPDGPHRPGVRCQW-SFHVURJKSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CCC ZINC001225440939 817054119 /nfs/dbraw/zinc/05/41/19/817054119.db2.gz SMDJOVAGEIYLCQ-IACUBPJLSA-N 0 3 286.847 3.192 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)CC ZINC001225898178 817210639 /nfs/dbraw/zinc/21/06/39/817210639.db2.gz CLOYEFXKMVTHIG-IACUBPJLSA-N 0 3 286.847 3.192 20 30 CGEDHN C=CCN(Cc1cccc(C(=O)OC)n1)C1CCCCC1 ZINC001231427429 818098176 /nfs/dbraw/zinc/09/81/76/818098176.db2.gz HRMWPSIZVBDCPQ-UHFFFAOYSA-N 0 3 288.391 3.189 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001231625599 818140760 /nfs/dbraw/zinc/14/07/60/818140760.db2.gz WYYOBWOXODCQJQ-OAHLLOKOSA-N 0 3 270.376 3.377 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC001231664539 818153590 /nfs/dbraw/zinc/15/35/90/818153590.db2.gz RPRCBIXWPFJJKA-IBGZPJMESA-N 0 3 295.357 3.460 20 30 CGEDHN C#Cc1cccc(CN(C)CCC(=O)c2ccccc2)c1 ZINC001231663943 818153749 /nfs/dbraw/zinc/15/37/49/818153749.db2.gz UOGILZIUHUHDAM-UHFFFAOYSA-N 0 3 277.367 3.373 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(OC)c(C)cc1OC ZINC001232836537 818452383 /nfs/dbraw/zinc/45/23/83/818452383.db2.gz NRMLRALDPSDYQP-UHFFFAOYSA-N 0 3 263.381 3.410 20 30 CGEDHN CN(CCc1cccc(Cl)c1)Cc1cccc(C#N)n1 ZINC001232924670 818473685 /nfs/dbraw/zinc/47/36/85/818473685.db2.gz SBPDXMSUAMCJDC-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C=CCCN(Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233013713 818502759 /nfs/dbraw/zinc/50/27/59/818502759.db2.gz SHSLZRPSQGVXSK-UHFFFAOYSA-N 0 3 299.370 3.382 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001233080052 818519250 /nfs/dbraw/zinc/51/92/50/818519250.db2.gz CBBKUWRAXSVSGF-CQSZACIVSA-N 0 3 282.309 3.436 20 30 CGEDHN CC#CC[C@@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234245214 818814970 /nfs/dbraw/zinc/81/49/70/818814970.db2.gz WLILBRKRTIWDAV-CQSZACIVSA-N 0 3 293.382 3.467 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234464307 818861817 /nfs/dbraw/zinc/86/18/17/818861817.db2.gz AMWZOZGPXYLPTM-OAHLLOKOSA-N 0 3 280.456 3.290 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCCC ZINC001234517775 818871377 /nfs/dbraw/zinc/87/13/77/818871377.db2.gz PNZVWLUTGHAOHU-MRXNPFEDSA-N 0 3 278.440 3.088 20 30 CGEDHN Cc1nc(C)c(CN2CCC(c3cccc(C#N)c3)CC2)[nH]1 ZINC001234635021 818896997 /nfs/dbraw/zinc/89/69/97/818896997.db2.gz JZGORDLVYBTJFQ-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN C#C[C@H]1CCC[C@@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234659965 818909259 /nfs/dbraw/zinc/90/92/59/818909259.db2.gz ASWGZJIRRXMTDX-LPHOPBHVSA-N 0 3 298.430 3.009 20 30 CGEDHN C=CCN(C)Cc1ccc(C(OCC)OCC)cc1 ZINC001234892562 818946075 /nfs/dbraw/zinc/94/60/75/818946075.db2.gz NUDXVOGZSVQIFP-UHFFFAOYSA-N 0 3 263.381 3.376 20 30 CGEDHN Cc1nnc(-c2ccc(CN3CCC[C@@H](CC#N)C3)cc2)o1 ZINC001235052733 818991608 /nfs/dbraw/zinc/99/16/08/818991608.db2.gz UUGAXCFBXVTWLR-AWEZNQCLSA-N 0 3 296.374 3.171 20 30 CGEDHN C#CCN(Cc1cccc(N)c1)[C@@H]1CCc2ccccc21 ZINC001235833143 819179611 /nfs/dbraw/zinc/17/96/11/819179611.db2.gz COTAVUJNZABGSR-LJQANCHMSA-N 0 3 276.383 3.392 20 30 CGEDHN CN(Cc1ccc(-c2ccc(F)c(C#N)c2)nc1)C1CC1 ZINC001235891878 819199876 /nfs/dbraw/zinc/19/98/76/819199876.db2.gz VKJVGUWYXCVOEQ-UHFFFAOYSA-N 0 3 281.334 3.354 20 30 CGEDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccnc(C#N)c1 ZINC001237468069 819758743 /nfs/dbraw/zinc/75/87/43/819758743.db2.gz DFSRTASTQAWWBM-UHFFFAOYSA-N 0 3 294.402 3.041 20 30 CGEDHN CC(C)N(Cc1cc(C#N)c(F)cc1F)C(C)C ZINC001237531588 819774212 /nfs/dbraw/zinc/77/42/12/819774212.db2.gz JDOOYVPDNBEVRR-UHFFFAOYSA-N 0 3 252.308 3.455 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001238205413 819956533 /nfs/dbraw/zinc/95/65/33/819956533.db2.gz DICBMKKLBNBBIQ-AWEZNQCLSA-N 0 3 280.375 3.202 20 30 CGEDHN CCc1cc(CN2CCc3cccc(O)c3C2)ccc1C#N ZINC001238770137 820113544 /nfs/dbraw/zinc/11/35/44/820113544.db2.gz YHBSSCGBGJDHTA-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN CCc1cc(C[N@@H+]2CCc3cccc([O-])c3C2)ccc1C#N ZINC001238770137 820113550 /nfs/dbraw/zinc/11/35/50/820113550.db2.gz YHBSSCGBGJDHTA-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN CCc1cc(C[N@H+]2CCc3cccc([O-])c3C2)ccc1C#N ZINC001238770137 820113556 /nfs/dbraw/zinc/11/35/56/820113556.db2.gz YHBSSCGBGJDHTA-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN CN(Cc1ccc(-c2ccc(OCC#N)cc2)nc1)C1CC1 ZINC001243589145 823458310 /nfs/dbraw/zinc/45/83/10/823458310.db2.gz QYKZCLDHEPMSIW-UHFFFAOYSA-N 0 3 293.370 3.245 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1[C@H](C)CNC[C@@H]1C ZINC001239267997 820247547 /nfs/dbraw/zinc/24/75/47/820247547.db2.gz CWMBNPLCCJLJAO-SOUVJXGZSA-N 0 3 283.460 3.127 20 30 CGEDHN CCCCCCCCCOC(=O)N[C@H]1CCNC[C@@H]1F ZINC001239315836 820262839 /nfs/dbraw/zinc/26/28/39/820262839.db2.gz ZVSUOEGYOWNWLU-KBPBESRZSA-N 0 3 288.407 3.163 20 30 CGEDHN CN1CCN(c2cccc(-c3ccc(CC#N)cc3)c2)CC1 ZINC001243667792 823480974 /nfs/dbraw/zinc/48/09/74/823480974.db2.gz CTQQDVGOAHIAAB-UHFFFAOYSA-N 0 3 291.398 3.171 20 30 CGEDHN N#Cc1ncccc1-c1cnccc1CN1CCCCC1 ZINC001242313271 822948138 /nfs/dbraw/zinc/94/81/38/822948138.db2.gz ZKYHTEJQXNLKJB-UHFFFAOYSA-N 0 3 278.359 3.001 20 30 CGEDHN CN(C)Cc1c[nH]c2nccc(C3=CC(=O)CC(C)(C)C3)c12 ZINC001242315916 822949423 /nfs/dbraw/zinc/94/94/23/822949423.db2.gz GWBMESOGEGAOBI-UHFFFAOYSA-N 0 3 297.402 3.397 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCc2sccc2[C@@H]1CC ZINC001341464455 936438879 /nfs/dbraw/zinc/43/88/79/936438879.db2.gz ABXWYKMLLDUIDI-KGLIPLIRSA-N 0 3 292.448 3.268 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCc2sccc2[C@@H]1CC ZINC001341464446 936438960 /nfs/dbraw/zinc/43/89/60/936438960.db2.gz ABXWYKMLLDUIDI-KBPBESRZSA-N 0 3 292.448 3.268 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001341609382 936444379 /nfs/dbraw/zinc/44/43/79/936444379.db2.gz JLZHBDAAYYHLFQ-PVAVHDDUSA-N 0 3 286.419 3.280 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC001342283821 936464235 /nfs/dbraw/zinc/46/42/35/936464235.db2.gz GNHYUXTVQCPWTQ-GXTWGEPZSA-N 0 3 292.448 3.341 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC001342454104 936467562 /nfs/dbraw/zinc/46/75/62/936467562.db2.gz OKGYARUDFTWUKK-WMZOPIPTSA-N 0 3 286.419 3.208 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC001342454099 936467635 /nfs/dbraw/zinc/46/76/35/936467635.db2.gz OKGYARUDFTWUKK-AEFFLSMTSA-N 0 3 286.419 3.208 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC001342734086 936477144 /nfs/dbraw/zinc/47/71/44/936477144.db2.gz RMCQBMORSSOMDZ-JQWIXIFHSA-N 0 3 271.307 3.140 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001346537571 936851837 /nfs/dbraw/zinc/85/18/37/936851837.db2.gz MXEPTSOAWDFEDQ-OAHLLOKOSA-N 0 3 295.386 3.137 20 30 CGEDHN CC(C)C[C@@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346762037 936860316 /nfs/dbraw/zinc/86/03/16/936860316.db2.gz CKCYFKBBHNTWPG-MWLCHTKSSA-N 0 3 266.291 3.218 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cscc1Cl ZINC001347339181 936880284 /nfs/dbraw/zinc/88/02/84/936880284.db2.gz WEDMCSIIBDTBMX-QMMMGPOBSA-N 0 3 279.752 3.108 20 30 CGEDHN CC(C)OCCON=Cc1ccc(N2CCCC2)cc1 ZINC001347420790 936883638 /nfs/dbraw/zinc/88/36/38/936883638.db2.gz AWFGRNOXTCDUFA-UHFFFAOYSA-N 0 3 276.380 3.062 20 30 CGEDHN CCOC(=O)[C@H](CC)N(CC1CCC(C#N)CC1)C1CC1 ZINC001354687791 937110094 /nfs/dbraw/zinc/11/00/94/937110094.db2.gz HVQCMVKBFMWJRD-XUJLQICISA-N 0 3 292.423 3.122 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCC(C)C)C1 ZINC001481388035 926973815 /nfs/dbraw/zinc/97/38/15/926973815.db2.gz AGHAVRREZCWWEK-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(CCCF)C2)CCCC1 ZINC001481754931 927077077 /nfs/dbraw/zinc/07/70/77/927077077.db2.gz UVAOZZFNIHZKPU-OAHLLOKOSA-N 0 3 296.430 3.015 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001481747728 927077286 /nfs/dbraw/zinc/07/72/86/927077286.db2.gz RPKJPCWWWUUEKT-CVEARBPZSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CC)[C@H]1CCN(CC(=C)C)C1 ZINC001481772516 927086487 /nfs/dbraw/zinc/08/64/87/927086487.db2.gz HQYPRMAKAMCKNW-CVEARBPZSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCc1ccc(CNCC#CC)cc1 ZINC001482032493 927133229 /nfs/dbraw/zinc/13/32/29/927133229.db2.gz BRMPJSFLWLUYRV-UHFFFAOYSA-N 0 3 298.430 3.018 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@H](C)CC(C)(C)C ZINC001482630126 927333451 /nfs/dbraw/zinc/33/34/51/927333451.db2.gz DLIGMFSVWLKAIW-AWEZNQCLSA-N 0 3 268.445 3.025 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001356578144 937162158 /nfs/dbraw/zinc/16/21/58/937162158.db2.gz LJZBCXXEMMQLLI-BFHYXJOUSA-N 0 3 299.761 3.053 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1 ZINC001483678914 927569462 /nfs/dbraw/zinc/56/94/62/927569462.db2.gz VCFZSCCCUURLAE-QAPCUYQASA-N 0 3 292.467 3.215 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@@]1(C)CCN(CC=C(C)C)C1 ZINC001484055740 927668647 /nfs/dbraw/zinc/66/86/47/927668647.db2.gz CXBBYQGVXKEJBH-RDJZCZTQSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(CC)CCCC2)C(C)(C)C1 ZINC001484940473 927773487 /nfs/dbraw/zinc/77/34/87/927773487.db2.gz NNUOJYAYONOUQL-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001485387156 927862069 /nfs/dbraw/zinc/86/20/69/927862069.db2.gz DKTHLRSPAYNZNU-GJZGRUSLSA-N 0 3 288.435 3.436 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCCCC(C)C)C1 ZINC001485530393 927882345 /nfs/dbraw/zinc/88/23/45/927882345.db2.gz OKKXYFMFFVVEOY-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2C(C)C)CCCCC1 ZINC001488690465 928291987 /nfs/dbraw/zinc/29/19/87/928291987.db2.gz DYTWTHYVPFZQMW-MRXNPFEDSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CCC ZINC001488677419 928293337 /nfs/dbraw/zinc/29/33/37/928293337.db2.gz QBOZBUWEBAIBHH-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CCC ZINC001488677421 928293558 /nfs/dbraw/zinc/29/35/58/928293558.db2.gz QBOZBUWEBAIBHH-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCCN1CCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001490434099 928363041 /nfs/dbraw/zinc/36/30/41/928363041.db2.gz KKJIGISPLGAOSO-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001490593846 928374657 /nfs/dbraw/zinc/37/46/57/928374657.db2.gz ACTZXCXWZPFAGT-LEPFTWFBSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC001320427546 928492426 /nfs/dbraw/zinc/49/24/26/928492426.db2.gz GGQZINWJAOWNOM-WCQYABFASA-N 0 3 281.421 3.269 20 30 CGEDHN N#Cc1ccccc1CSCCNCc1cnsc1 ZINC001308185520 928816143 /nfs/dbraw/zinc/81/61/43/928816143.db2.gz AAIIMLVMXPMKDS-UHFFFAOYSA-N 0 3 289.429 3.038 20 30 CGEDHN CCCCCCC[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001441959115 937340279 /nfs/dbraw/zinc/34/02/79/937340279.db2.gz OPOOBTYKBXIZCQ-CVEARBPZSA-N 0 3 282.472 3.441 20 30 CGEDHN C=CCC[C@H](NC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001446505570 937363678 /nfs/dbraw/zinc/36/36/78/937363678.db2.gz NMOOFQKONAEWPY-HNNXBMFYSA-N 0 3 283.375 3.084 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)c(F)c(C)c1 ZINC001448882769 937377273 /nfs/dbraw/zinc/37/72/73/937377273.db2.gz LGDAQQAUZYCVEH-UHFFFAOYSA-N 0 3 292.398 3.022 20 30 CGEDHN C[C@H](c1ccco1)N(C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459722247 937497770 /nfs/dbraw/zinc/49/77/70/937497770.db2.gz YEIDZWRMXKKQGH-DYVFJYSZSA-N 0 3 296.370 3.410 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN(C)CCOC(C)(C)C ZINC001459770982 937499725 /nfs/dbraw/zinc/49/97/25/937499725.db2.gz YEWCZIYVANJADE-UHFFFAOYSA-N 0 3 274.408 3.422 20 30 CGEDHN C#C[C@H](C)N(C)CCc1c(Cl)cccc1Cl ZINC001460026718 937511852 /nfs/dbraw/zinc/51/18/52/937511852.db2.gz BXBHLVPTUAGZQN-JTQLQIEISA-N 0 3 256.176 3.489 20 30 CGEDHN CCc1ccc(C2CCN(CC#CCOC)CC2)cc1 ZINC001460571195 937535463 /nfs/dbraw/zinc/53/54/63/937535463.db2.gz BJCFYKLECAICGT-UHFFFAOYSA-N 0 3 271.404 3.078 20 30 CGEDHN C#C[C@@H]1CCC[C@H]1Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301965 932129449 /nfs/dbraw/zinc/12/94/49/932129449.db2.gz FASHZAIWQNRTID-RDTXWAMCSA-N 0 3 285.387 3.002 20 30 CGEDHN CC(C)N1CCC[C@@H](Oc2cc(F)c(F)cc2C#N)C1 ZINC001229838617 932491827 /nfs/dbraw/zinc/49/18/27/932491827.db2.gz WEBHKEHLMCGTJB-GFCCVEGCSA-N 0 3 280.318 3.088 20 30 CGEDHN C#CCN(Cc1cnc(F)c(C)c1)C1CCCCC1 ZINC001461897552 937604604 /nfs/dbraw/zinc/60/46/04/937604604.db2.gz LQTMJRXGZCMLIQ-UHFFFAOYSA-N 0 3 260.356 3.297 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001316608930 932748353 /nfs/dbraw/zinc/74/83/53/932748353.db2.gz IOSRARCGYHDLTG-AEFFLSMTSA-N 0 3 290.451 3.232 20 30 CGEDHN C#C[C@@H](NC(C)C)c1ccc(Br)cc1 ZINC001462283359 937629746 /nfs/dbraw/zinc/62/97/46/937629746.db2.gz ZWEFOYHWNYSWNG-GFCCVEGCSA-N 0 3 252.155 3.121 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)cccc1C ZINC001492086539 932805364 /nfs/dbraw/zinc/80/53/64/932805364.db2.gz UIONSUBMMXBCSE-AWEZNQCLSA-N 0 3 294.826 3.154 20 30 CGEDHN C=CCN(C)CCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001492272287 932813025 /nfs/dbraw/zinc/81/30/25/932813025.db2.gz MKYXGUZQBOAMGD-UYSNPLJNSA-N 0 3 280.456 3.073 20 30 CGEDHN CN(C)C[C@@H](NCC#Cc1ccccc1)c1ccc(F)cc1 ZINC001462318258 937631789 /nfs/dbraw/zinc/63/17/89/937631789.db2.gz VVXLJSXEZQWZDX-LJQANCHMSA-N 0 3 296.389 3.070 20 30 CGEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C(C)C ZINC001316677923 932822607 /nfs/dbraw/zinc/82/26/07/932822607.db2.gz ZCGDRHDQSALVTD-JSGCOSHPSA-N 0 3 286.847 3.002 20 30 CGEDHN C=CCCCCN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC001307552627 932968848 /nfs/dbraw/zinc/96/88/48/932968848.db2.gz AMOGCBCUPKFKHA-INIZCTEOSA-N 0 3 272.392 3.080 20 30 CGEDHN CCCCCCCCCCN1CCN2CCOC[C@H]2C1 ZINC001307669583 932984109 /nfs/dbraw/zinc/98/41/09/932984109.db2.gz IEUPXOSPRJKCLY-QGZVFWFLSA-N 0 3 282.472 3.144 20 30 CGEDHN C#C[C@@H](NCCSc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC001307703433 932989708 /nfs/dbraw/zinc/98/97/08/932989708.db2.gz TYHXAUMKRVSIFG-CABCVRRESA-N 0 3 295.835 3.203 20 30 CGEDHN C#CCN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C(C)C ZINC001308096957 933048290 /nfs/dbraw/zinc/04/82/90/933048290.db2.gz YVVKMTCCTVPNIB-UHFFFAOYSA-N 0 3 295.382 3.125 20 30 CGEDHN Clc1ccc(C#CCNC2([C@@H]3CCCO3)CCC2)cc1 ZINC001308159157 933061320 /nfs/dbraw/zinc/06/13/20/933061320.db2.gz AWOCFQFHSABTRW-INIZCTEOSA-N 0 3 289.806 3.383 20 30 CGEDHN CC(C)c1ccc(CCNCC2(C#N)CCOCC2)cc1 ZINC001308978274 933218657 /nfs/dbraw/zinc/21/86/57/933218657.db2.gz WUKAPOUPMXFRTC-UHFFFAOYSA-N 0 3 286.419 3.262 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001317057603 933467337 /nfs/dbraw/zinc/46/73/37/933467337.db2.gz YEEDLYLCMDRIHV-AWEZNQCLSA-N 0 3 292.448 3.041 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CCCC)C(C)C)[C@H]1C ZINC001316799570 933482698 /nfs/dbraw/zinc/48/26/98/933482698.db2.gz FUYCMFDCUFVHJQ-ZACQAIPSSA-N 0 3 292.467 3.051 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CCCC)C(C)C)[C@H]1C ZINC001316799568 933482839 /nfs/dbraw/zinc/48/28/39/933482839.db2.gz FUYCMFDCUFVHJQ-IKGGRYGDSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)C[C@H](CC)c1ccccc1 ZINC001317467439 933599026 /nfs/dbraw/zinc/59/90/26/933599026.db2.gz SFKRUTLGIADUMQ-INIZCTEOSA-N 0 3 288.435 3.194 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@](C)(F)CCCC ZINC001317502888 933604342 /nfs/dbraw/zinc/60/43/42/933604342.db2.gz LFXGQNLPFJIMKF-GDBMZVCRSA-N 0 3 284.419 3.062 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)/C=C(/C)CC)c1ccccc1 ZINC001317719233 933638192 /nfs/dbraw/zinc/63/81/92/933638192.db2.gz UHAKZPXGEHNLAZ-HKBKRHGFSA-N 0 3 286.419 3.366 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H](C)CCC)C1 ZINC001318458059 933729369 /nfs/dbraw/zinc/72/93/69/933729369.db2.gz MVRUSUYAXCVKCD-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc(C)c1)C(C)C ZINC001319894503 933952459 /nfs/dbraw/zinc/95/24/59/933952459.db2.gz FOIMNKVNPZJMDC-HNNXBMFYSA-N 0 3 294.826 3.092 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)[C@@H](C)c1cccc(C)c1 ZINC001319982010 933970733 /nfs/dbraw/zinc/97/07/33/933970733.db2.gz XNHUNGTYHVPYLH-INIZCTEOSA-N 0 3 288.435 3.412 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(C(F)(F)F)cc1C ZINC001320619908 934075607 /nfs/dbraw/zinc/07/56/07/934075607.db2.gz RHGSJNGQGQEPTK-ZDUSSCGKSA-N 0 3 273.298 3.304 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001323243873 934375804 /nfs/dbraw/zinc/37/58/04/934375804.db2.gz UIQFQEQSDMNPRT-GJZGRUSLSA-N 0 3 280.456 3.214 20 30 CGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](C)CCCCCC)C1 ZINC001324657920 934542822 /nfs/dbraw/zinc/54/28/22/934542822.db2.gz UPOCDCCTZFCPMK-SJLPKXTDSA-N 0 3 292.467 3.197 20 30 CGEDHN CCN(CC)[C@H](CNc1cc(C)c(C#N)cn1)c1ccco1 ZINC001472674499 937780066 /nfs/dbraw/zinc/78/00/66/937780066.db2.gz CMRFLOYXSQSJJM-OAHLLOKOSA-N 0 3 298.390 3.350 20 30 CGEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001325677418 934923520 /nfs/dbraw/zinc/92/35/20/934923520.db2.gz HVJASMLNKPZLRP-AWEZNQCLSA-N 0 3 273.767 3.232 20 30 CGEDHN C=CCCN1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001473578965 937812017 /nfs/dbraw/zinc/81/20/17/937812017.db2.gz VQWIPFMYVXLXKL-HZSPNIEDSA-N 0 3 282.428 3.281 20 30 CGEDHN CC[C@H](C)[C@@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC001473641184 937815546 /nfs/dbraw/zinc/81/55/46/937815546.db2.gz OAWWQBPIMUIJSF-QWHCGFSZSA-N 0 3 277.437 3.176 20 30 CGEDHN C#CCCCC(=O)NCc1ccc2c(c1)CN(CC(C)C)C2 ZINC001327685843 935077227 /nfs/dbraw/zinc/07/72/27/935077227.db2.gz SFRNBBLBYAMRKI-UHFFFAOYSA-N 0 3 298.430 3.078 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001328752864 935166655 /nfs/dbraw/zinc/16/66/55/935166655.db2.gz NBTLGEMVHGAQNF-INIZCTEOSA-N 0 3 292.467 3.478 20 30 CGEDHN C=C[C@@H](COC)NCc1cc2nc(Cl)ccc2s1 ZINC001330641601 935307323 /nfs/dbraw/zinc/30/73/23/935307323.db2.gz XCRKCUCOBOLOTI-VIFPVBQESA-N 0 3 282.796 3.240 20 30 CGEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCCC[C@H]1C)C(C)C ZINC001332724667 935485408 /nfs/dbraw/zinc/48/54/08/935485408.db2.gz UMRVOFRDVUISPM-SJORKVTESA-N 0 3 292.467 3.005 20 30 CGEDHN COC1(CN[C@@H](CCC#N)c2ccccc2)CCC1 ZINC001333319675 935525713 /nfs/dbraw/zinc/52/57/13/935525713.db2.gz JQWYJGHOFSEMDC-HNNXBMFYSA-N 0 3 258.365 3.190 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001333457162 935536714 /nfs/dbraw/zinc/53/67/14/935536714.db2.gz HCANICKTSUHVQR-SFHVURJKSA-N 0 3 288.435 3.057 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1cc2c(s1)CCC2 ZINC001338114380 936306724 /nfs/dbraw/zinc/30/67/24/936306724.db2.gz ZOBPTWCOMRPWIO-CMPLNLGQSA-N 0 3 251.395 3.088 20 30 CGEDHN C#C[C@H](CC)NCc1ccccc1CC(F)(F)F ZINC001474508376 937864062 /nfs/dbraw/zinc/86/40/62/937864062.db2.gz JEVLOYOJLOGXDG-CYBMUJFWSA-N 0 3 255.283 3.293 20 30 CGEDHN C#C[C@@H](N[C@H](C)c1nccc2ccccc21)C1CCOCC1 ZINC001474636969 937871997 /nfs/dbraw/zinc/87/19/97/937871997.db2.gz SKROBBRCAZYQJK-RDTXWAMCSA-N 0 3 294.398 3.314 20 30 CGEDHN C#CCN(C[C@@]1(C)C[C@@H]1c1ccccc1)C1CSC1 ZINC001474674629 937874582 /nfs/dbraw/zinc/87/45/82/937874582.db2.gz IRTKPSFXXHLCFF-IAGOWNOFSA-N 0 3 271.429 3.231 20 30 CGEDHN C[C@H](CNCC1(C#N)CCOCC1)c1cccc(Cl)c1 ZINC001474747517 937878892 /nfs/dbraw/zinc/87/88/92/937878892.db2.gz GKEVNHBJCWWZHW-CYBMUJFWSA-N 0 3 292.810 3.353 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001480100850 937932290 /nfs/dbraw/zinc/93/22/90/937932290.db2.gz DMICETLQUAOAAL-CALCHBBNSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN(C[C@H](F)CC)C1 ZINC001480260330 937935120 /nfs/dbraw/zinc/93/51/20/937935120.db2.gz VOFIOZVJMLWWHY-HUUCEWRRSA-N 0 3 298.446 3.165 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001480728590 937942501 /nfs/dbraw/zinc/94/25/01/937942501.db2.gz TVZRJFLGNBIQOO-IRXDYDNUSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCCCC(=O)NCC1(NCC(=C)Cl)CCCC1 ZINC001495939542 937960524 /nfs/dbraw/zinc/96/05/24/937960524.db2.gz KODNJHUZRAZUCD-UHFFFAOYSA-N 0 3 284.831 3.114 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]1CCC ZINC001496734471 937963815 /nfs/dbraw/zinc/96/38/15/937963815.db2.gz SRPLPEXJFXEXLG-JKSUJKDBSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001499063852 937972013 /nfs/dbraw/zinc/97/20/13/937972013.db2.gz RQSGZVKZZUHTHV-KRWDZBQOSA-N 0 3 284.403 3.100 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(CCCC)CC1 ZINC001499058817 937972191 /nfs/dbraw/zinc/97/21/91/937972191.db2.gz XGEXXFSADJCZRS-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC001499093775 937972590 /nfs/dbraw/zinc/97/25/90/937972590.db2.gz RPMYTBGJKOVOGZ-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)CCCC1CCCC1 ZINC001499132482 937972691 /nfs/dbraw/zinc/97/26/91/937972691.db2.gz RTYJAGHMHABYEN-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)/C=C\C(C)(C)C)cc1 ZINC001501672450 937980251 /nfs/dbraw/zinc/98/02/51/937980251.db2.gz FGCOAQBWEDUBAX-QYMJWVLRSA-N 0 3 298.430 3.189 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)CCCCCCCC)CC1 ZINC001502145643 937981658 /nfs/dbraw/zinc/98/16/58/937981658.db2.gz VQESNNXSKVQXLQ-KRWDZBQOSA-N 0 3 292.467 3.341 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccc(F)cc1C)C(C)C ZINC001507863262 937997209 /nfs/dbraw/zinc/99/72/09/937997209.db2.gz HGNLYJJWHMAUEG-UHFFFAOYSA-N 0 3 292.398 3.103 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)C(C)C)C1 ZINC001508111926 937998356 /nfs/dbraw/zinc/99/83/56/937998356.db2.gz WRGUAYZMFIDRTN-UHFFFAOYSA-N 0 3 286.847 3.000 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC001517047030 938010974 /nfs/dbraw/zinc/01/09/74/938010974.db2.gz ROOJBCIZQGHRAG-QQFIATSDSA-N 0 3 291.782 3.076 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001517047041 938011012 /nfs/dbraw/zinc/01/10/12/938011012.db2.gz RSFJYRVOEQPABN-AGIUHOORSA-N 0 3 299.761 3.053 20 30 CGEDHN Cc1ccc(F)cc1C(=O)C(C#N)c1cccc(F)n1 ZINC001524706262 938044954 /nfs/dbraw/zinc/04/49/54/938044954.db2.gz YTQPAHLESOGNHF-GFCCVEGCSA-N 0 3 272.254 3.158 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CC=CCC1)c1cccc(F)n1 ZINC001524969373 938046866 /nfs/dbraw/zinc/04/68/66/938046866.db2.gz CYOPVFITPDAGHJ-NEPJUHHUSA-N 0 3 258.296 3.143 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001526593822 938056671 /nfs/dbraw/zinc/05/66/71/938056671.db2.gz JFTIYAOIFPMLBR-MELADBBJSA-N 0 3 273.380 3.296 20 30 CGEDHN C#CCN(CCOCCCC)[C@@H]1CCc2ccccc21 ZINC001559499199 938227571 /nfs/dbraw/zinc/22/75/71/938227571.db2.gz LOIYFBVJVGYBKF-GOSISDBHSA-N 0 3 271.404 3.426 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](O)[C@@H](C)c1ccccc1 ZINC001559821703 938236579 /nfs/dbraw/zinc/23/65/79/938236579.db2.gz ZKXGVNNJSQZCQS-PXNSSMCTSA-N 0 3 293.410 3.286 20 30 CGEDHN C=CC[C@H]1CCCN(CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC001559983705 938240923 /nfs/dbraw/zinc/24/09/23/938240923.db2.gz ZHUZAAUUARZFBZ-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C[C@H]1c2sccc2CCN1C[C@H](O)c1cccc(C#N)c1 ZINC001560112964 938244364 /nfs/dbraw/zinc/24/43/64/938244364.db2.gz TYASGQPHQUEBFX-LRDDRELGSA-N 0 3 298.411 3.272 20 30 CGEDHN C#CCOc1ccccc1CN[C@H](C)COc1ccccc1 ZINC001560295786 938251564 /nfs/dbraw/zinc/25/15/64/938251564.db2.gz OCJWMPKWXHHJKK-MRXNPFEDSA-N 0 3 295.382 3.256 20 30 CGEDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1C#N ZINC001560575161 938263669 /nfs/dbraw/zinc/26/36/69/938263669.db2.gz CDHWSYFIXZEATF-ZDUSSCGKSA-N 0 3 266.344 3.423 20 30 CGEDHN C=CCC[C@H](C)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001560751960 938273802 /nfs/dbraw/zinc/27/38/02/938273802.db2.gz VEQQQVDITPHURB-JOYOIKCWSA-N 0 3 253.292 3.343 20 30 CGEDHN C#Cc1ccc(CNCc2c(C)nc3scc(C)n23)cc1 ZINC001560839747 938278759 /nfs/dbraw/zinc/27/87/59/938278759.db2.gz AENNUMAEUYMFNM-UHFFFAOYSA-N 0 3 295.411 3.284 20 30 CGEDHN C=CCC1(O)CN(C[C@@H](C)CC2CCCCC2)C1 ZINC001561048933 938291609 /nfs/dbraw/zinc/29/16/09/938291609.db2.gz IFUSSOOUYHOQBT-AWEZNQCLSA-N 0 3 251.414 3.216 20 30 CGEDHN C=CCCCC(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001569498473 960448640 /nfs/dbraw/zinc/44/86/40/960448640.db2.gz JPZXDWKAVUGIHN-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC001574902781 960468125 /nfs/dbraw/zinc/46/81/25/960468125.db2.gz GVLPBNJAOAAJDW-HZPDHXFCSA-N 0 3 278.440 3.145 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001566748329 960577782 /nfs/dbraw/zinc/57/77/82/960577782.db2.gz BMDMYJKPWWDVME-YESZJQIVSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001565829348 960834040 /nfs/dbraw/zinc/83/40/40/960834040.db2.gz DQTIRAQNGLHMNX-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C(C)(C)C ZINC001565819413 960842506 /nfs/dbraw/zinc/84/25/06/960842506.db2.gz FXNPUJRRRFRQSD-LSDHHAIUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)/C(C)=C/C)C1 ZINC001565880884 960855962 /nfs/dbraw/zinc/85/59/62/960855962.db2.gz GUHQDJGCJHPQMM-ISSVYOCRSA-N 0 3 298.430 3.113 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001566633476 960969511 /nfs/dbraw/zinc/96/95/11/960969511.db2.gz PGTJNCMDHJAIGO-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN CCCCCCCN1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001566614712 960972743 /nfs/dbraw/zinc/97/27/43/960972743.db2.gz JNQOUTOBLPRBCR-ZDUSSCGKSA-N 0 3 290.398 3.193 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001566756364 961009563 /nfs/dbraw/zinc/00/95/63/961009563.db2.gz MXBKSFLKFLWKBE-SOUVJXGZSA-N 0 3 278.440 3.062 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCN(C)[C@H](C)c1ccccc1 ZINC001567284259 961267573 /nfs/dbraw/zinc/26/75/73/961267573.db2.gz ZYYXEJCBWBDQDT-OAHLLOKOSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CCN[C@H](CNC(=O)C(C)(C)C1CC1)c1ccccc1 ZINC001567663228 961379487 /nfs/dbraw/zinc/37/94/87/961379487.db2.gz ODPGMUGQSWBMNH-MRXNPFEDSA-N 0 3 286.419 3.056 20 30 CGEDHN C#CCCN[C@H](CNC(=O)CC1CCCC1)c1ccccc1 ZINC001567656499 961385581 /nfs/dbraw/zinc/38/55/81/961385581.db2.gz PUGWRIIUBNPRRL-GOSISDBHSA-N 0 3 298.430 3.037 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001568506414 961608151 /nfs/dbraw/zinc/60/81/51/961608151.db2.gz IWLMMCPIXCPDAH-UHFFFAOYSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001569651298 961813533 /nfs/dbraw/zinc/81/35/33/961813533.db2.gz OPZRDQZRYJJWGR-WBVHZDCISA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C=C1CCC1 ZINC001570025852 961889086 /nfs/dbraw/zinc/88/90/86/961889086.db2.gz OPSGFVVWNOOFAC-UHFFFAOYSA-N 0 3 284.403 3.031 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001570185532 961929582 /nfs/dbraw/zinc/92/95/82/961929582.db2.gz NCUBHSNQQLFAQZ-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](CCC)c1ccccc1 ZINC001570750411 962069487 /nfs/dbraw/zinc/06/94/87/962069487.db2.gz RPICNXOTFGHVRA-DOTOQJQBSA-N 0 3 288.435 3.193 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)C(C)(C)CC(C)(C)C ZINC001570751057 962080273 /nfs/dbraw/zinc/08/02/73/962080273.db2.gz BENGZFIEYXXZIW-CYBMUJFWSA-N 0 3 268.445 3.071 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](CNCCF)C(C)(C)C)CCCC1 ZINC001571638946 962204920 /nfs/dbraw/zinc/20/49/20/962204920.db2.gz CGUPSXIDJXBLKC-AWEZNQCLSA-N 0 3 298.446 3.213 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573329404 962244677 /nfs/dbraw/zinc/24/46/77/962244677.db2.gz JADDXWXEZBDSBE-GOEBONIOSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573329404 962244694 /nfs/dbraw/zinc/24/46/94/962244694.db2.gz JADDXWXEZBDSBE-GOEBONIOSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(Cl)c1OCC ZINC001574908608 962327681 /nfs/dbraw/zinc/32/76/81/962327681.db2.gz UHCMAGBIMSXQHI-LBPRGKRZSA-N 0 3 296.798 3.361 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001574902882 962332464 /nfs/dbraw/zinc/33/24/64/962332464.db2.gz IKGHHENGQXRUDD-JJXSEGSLSA-N 0 3 278.440 3.145 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H](CF)C1 ZINC001577426663 962546766 /nfs/dbraw/zinc/54/67/66/962546766.db2.gz TWOKNSCVJKQTCH-HUUCEWRRSA-N 0 3 286.435 3.272 20 30 CGEDHN C=CCOc1ccc(CN(C)CCOC(C)(C)C)cc1 ZINC000620933341 349435502 /nfs/dbraw/zinc/43/55/02/349435502.db2.gz DRUJKRMQWONPEA-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CCC[N@@H+](C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000298144977 260145149 /nfs/dbraw/zinc/14/51/49/260145149.db2.gz RCEGUPKRXZJZGU-UHFFFAOYSA-N 0 3 269.772 3.452 20 30 CGEDHN C=CCC[N@H+](C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000298144977 260145150 /nfs/dbraw/zinc/14/51/50/260145150.db2.gz RCEGUPKRXZJZGU-UHFFFAOYSA-N 0 3 269.772 3.452 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2nnc3n2CCCCC3)C1 ZINC000651673826 398266867 /nfs/dbraw/zinc/26/68/67/398266867.db2.gz YEJXGWPSJMWHAR-ZNMIVQPWSA-N 0 3 288.439 3.400 20 30 CGEDHN N#CCCC[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000590122457 346828684 /nfs/dbraw/zinc/82/86/84/346828684.db2.gz AFCSUZTXILLZPN-SFHVURJKSA-N 0 3 290.370 3.478 20 30 CGEDHN N#CCC[C@@H](NCCC1CCOCC1)c1ccccc1 ZINC000590114912 346828911 /nfs/dbraw/zinc/82/89/11/346828911.db2.gz JRTLOYGMGPVOSB-QGZVFWFLSA-N 0 3 272.392 3.438 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC3(CC2)OCc2ccccc23)C1 ZINC000590162532 346833304 /nfs/dbraw/zinc/83/33/04/346833304.db2.gz FXTVCEWGHHCPCR-GDBMZVCRSA-N 0 3 282.387 3.200 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC3(CC2)OCc2ccccc23)C1 ZINC000590162534 346833766 /nfs/dbraw/zinc/83/37/66/346833766.db2.gz FXTVCEWGHHCPCR-HOCLYGCPSA-N 0 3 282.387 3.200 20 30 CGEDHN C=C[C@@H](C)NCc1cn(-c2cccc(C)c2)nc1C ZINC000651733746 398278104 /nfs/dbraw/zinc/27/81/04/398278104.db2.gz SIBOUROANLODDH-CYBMUJFWSA-N 0 3 255.365 3.153 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nccn2CC(C)C)C1 ZINC000651751717 398282394 /nfs/dbraw/zinc/28/23/94/398282394.db2.gz FJKODPNKBNKCEU-GJZGRUSLSA-N 0 3 261.413 3.374 20 30 CGEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2nnc[n-]2)c2ccccc2)C1 ZINC000651761182 398284546 /nfs/dbraw/zinc/28/45/46/398284546.db2.gz HWESSCDVJVJTSX-KBMXLJTQSA-N 0 3 282.391 3.229 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000651761182 398284549 /nfs/dbraw/zinc/28/45/49/398284549.db2.gz HWESSCDVJVJTSX-KBMXLJTQSA-N 0 3 282.391 3.229 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nc3cc(OC)ccc3n2C)C1 ZINC000651764812 398284958 /nfs/dbraw/zinc/28/49/58/398284958.db2.gz POHISGXMKZXBGF-KBPBESRZSA-N 0 3 299.418 3.416 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000652062304 398322196 /nfs/dbraw/zinc/32/21/96/398322196.db2.gz FLTLEVPYVNNUQN-OAHLLOKOSA-N 0 3 279.330 3.483 20 30 CGEDHN CCO[C@H]1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000590756881 346872333 /nfs/dbraw/zinc/87/23/33/346872333.db2.gz DLFHQFCWEWWNBX-YOEHRIQHSA-N 0 3 272.392 3.114 20 30 CGEDHN Cc1cc(NC(=O)CCCCCC#N)ccc1CN(C)C ZINC000590922104 346887872 /nfs/dbraw/zinc/88/78/72/346887872.db2.gz LEOXUJPWHYNQBX-UHFFFAOYSA-N 0 3 287.407 3.469 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H]2c3ccccc3CN(C)C2=O)C1 ZINC000623236962 349770375 /nfs/dbraw/zinc/77/03/75/349770375.db2.gz LLHBNMFAACAOHB-FRFSOERESA-N 0 3 284.403 3.034 20 30 CGEDHN CC(C)CC[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765890 346935437 /nfs/dbraw/zinc/93/54/37/346935437.db2.gz OTOWJLIRZTUZIX-CQSZACIVSA-N 0 3 280.799 3.098 20 30 CGEDHN C[C@H]1CC(C)(C)CC[C@@H]1NCc1ccncc1C#N ZINC000592106916 346963544 /nfs/dbraw/zinc/96/35/44/346963544.db2.gz VJTFZECKSGDXPN-WFASDCNBSA-N 0 3 257.381 3.258 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)[C@H]1CCC[C@H](C)C1 ZINC000592127090 346965092 /nfs/dbraw/zinc/96/50/92/346965092.db2.gz UDGQAMLEEIHTBH-IHRRRGAJSA-N 0 3 257.381 3.258 20 30 CGEDHN C=C(C)[C@@H](CO)S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000592354514 346978085 /nfs/dbraw/zinc/97/80/85/346978085.db2.gz JSSDZUYTPQHOOC-DLBZAZTESA-N 0 3 291.460 3.321 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NC2(c3cccc(F)c3)CCC2)C1 ZINC000592393144 346982270 /nfs/dbraw/zinc/98/22/70/346982270.db2.gz FRFLZOMDMQGVHW-IUODEOHRSA-N 0 3 258.340 3.487 20 30 CGEDHN CC(C(=O)N(CC#N)c1ccc(Cl)cc1)C(F)(F)F ZINC000592650667 347003078 /nfs/dbraw/zinc/00/30/78/347003078.db2.gz MXKPWWZYTHYHIJ-QMMMGPOBSA-N 0 3 290.672 3.395 20 30 CGEDHN CN(CCC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592683179 347007280 /nfs/dbraw/zinc/00/72/80/347007280.db2.gz CGKYAWHQHSAVQQ-INIZCTEOSA-N 0 3 297.402 3.135 20 30 CGEDHN C[C@H](CSc1ccccc1)N(C)CCOCCC#N ZINC000593046959 347031959 /nfs/dbraw/zinc/03/19/59/347031959.db2.gz VJXKKARLTDWOCH-CQSZACIVSA-N 0 3 278.421 3.029 20 30 CGEDHN C[C@H]1CN(CCCCC(C)(C)C#N)C2(CCC2)CO1 ZINC000593091347 347038495 /nfs/dbraw/zinc/03/84/95/347038495.db2.gz GQAHOLIBSHHPSP-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN CC[C@@H](C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000593403985 347071560 /nfs/dbraw/zinc/07/15/60/347071560.db2.gz QUDLLKFNPSJSGX-HNNXBMFYSA-N 0 3 285.391 3.161 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000045030535 345019576 /nfs/dbraw/zinc/01/95/76/345019576.db2.gz RCFPHNXJVZEIRO-UHFFFAOYSA-N 0 3 294.358 3.264 20 30 CGEDHN COc1ccc([C@H]2CCCN2CCCC#N)cc1OC ZINC000045915168 345032021 /nfs/dbraw/zinc/03/20/21/345032021.db2.gz LAZCVCCTDXWSQM-CQSZACIVSA-N 0 3 274.364 3.144 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000046776358 345044040 /nfs/dbraw/zinc/04/40/40/345044040.db2.gz QRTYCYCBMJLWMG-UHFFFAOYSA-N 0 3 271.307 3.305 20 30 CGEDHN C=C(C)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000053134580 345115202 /nfs/dbraw/zinc/11/52/02/345115202.db2.gz LILYBXJCXJYUGY-CYBMUJFWSA-N 0 3 251.395 3.305 20 30 CGEDHN CCCCCN(CC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000051708971 345092210 /nfs/dbraw/zinc/09/22/10/345092210.db2.gz FKSYRJYRLHQKNI-UHFFFAOYSA-N 0 3 293.455 3.230 20 30 CGEDHN CCN1CCC[C@@H](Nc2cc(C#N)c3ccccc3n2)C1 ZINC000068770170 345361588 /nfs/dbraw/zinc/36/15/88/345361588.db2.gz XOGQXJGPXKJJKN-CQSZACIVSA-N 0 3 280.375 3.003 20 30 CGEDHN C=CCN(Cc1cccc(C(N)=O)c1)CC1CCCCC1 ZINC000069860123 345386240 /nfs/dbraw/zinc/38/62/40/345386240.db2.gz GILMHKUSBVOXIP-UHFFFAOYSA-N 0 3 286.419 3.354 20 30 CGEDHN N#Cc1ccc(CN2CCc3ccccc3CC2)c(F)c1 ZINC000071202966 345402467 /nfs/dbraw/zinc/40/24/67/345402467.db2.gz WEFVYNQAHJTMPW-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN CCN(CCCSCC#N)Cc1cccc(F)c1 ZINC000074981346 345489192 /nfs/dbraw/zinc/48/91/92/345489192.db2.gz UQVWLTDXOCIMTD-UHFFFAOYSA-N 0 3 266.385 3.294 20 30 CGEDHN C[C@H]1C[C@@H](Nc2cnccc2C#N)CN1Cc1ccccc1 ZINC000091739544 345822524 /nfs/dbraw/zinc/82/25/24/345822524.db2.gz AJLBJNXJPVUQTC-WMLDXEAASA-N 0 3 292.386 3.028 20 30 CGEDHN CC[C@@H](CSC)N(C)CC#Cc1ccc(F)cc1 ZINC000091099375 345803849 /nfs/dbraw/zinc/80/38/49/345803849.db2.gz INYQVKHHTKOSDI-HNNXBMFYSA-N 0 3 265.397 3.251 20 30 CGEDHN N#Cc1csc(CN2CCC(C3CCOCC3)CC2)c1 ZINC000093705168 345885832 /nfs/dbraw/zinc/88/58/32/345885832.db2.gz CPOSVZONUNATDU-UHFFFAOYSA-N 0 3 290.432 3.258 20 30 CGEDHN N#Cc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000177543223 232369360 /nfs/dbraw/zinc/36/93/60/232369360.db2.gz XVJHEUVBDGPQES-ZIAGYGMSSA-N 0 3 258.340 3.319 20 30 CGEDHN CCC(CC)N(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000165337338 346184074 /nfs/dbraw/zinc/18/40/74/346184074.db2.gz AXTZFBKQYSCWAW-UHFFFAOYSA-N 0 3 285.391 3.150 20 30 CGEDHN COc1ccc(CN2CCC3(CCC3)CC2)cc1C#N ZINC000308758124 346467863 /nfs/dbraw/zinc/46/78/63/346467863.db2.gz ZLMVFGWEXCAWGB-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN CCOC(=O)C(C)(C)CCC[C@H](C)NCC1(C#N)CCC1 ZINC000593632727 347097220 /nfs/dbraw/zinc/09/72/20/347097220.db2.gz IQIVNFLNLSYPFN-AWEZNQCLSA-N 0 3 294.439 3.418 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593653752 347099962 /nfs/dbraw/zinc/09/99/62/347099962.db2.gz WNCKRMXGWMWJNL-AEFFLSMTSA-N 0 3 297.446 3.495 20 30 CGEDHN N#CC1(CN[C@@H]2CCCC23CCOCC3)CCCC1 ZINC000593654908 347100746 /nfs/dbraw/zinc/10/07/46/347100746.db2.gz QQHKGVWBYNMHRH-CQSZACIVSA-N 0 3 262.397 3.009 20 30 CGEDHN N#CCC[C@@H](C#N)CNCCCc1c[nH]c2ccc(F)cc12 ZINC000558573427 346657356 /nfs/dbraw/zinc/65/73/56/346657356.db2.gz IKJMYRAUDSUFAE-ZDUSSCGKSA-N 0 3 298.365 3.273 20 30 CGEDHN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C(C)C#N ZINC000463050233 346626027 /nfs/dbraw/zinc/62/60/27/346626027.db2.gz WPBXUJWOOPBNLL-INWMFGNUSA-N 0 3 270.376 3.222 20 30 CGEDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CCC#N)CC1 ZINC000580552640 346675377 /nfs/dbraw/zinc/67/53/77/346675377.db2.gz PDUCPQRIYMORKI-UHFFFAOYSA-N 0 3 287.363 3.419 20 30 CGEDHN CCCCN(CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584843377 346718069 /nfs/dbraw/zinc/71/80/69/346718069.db2.gz PUYKSGWIXCEGMN-UHFFFAOYSA-N 0 3 261.325 3.088 20 30 CGEDHN CC(C)CC[C@@H](NC1CCN(CC#N)CC1)c1ccoc1 ZINC000586789857 346736211 /nfs/dbraw/zinc/73/62/11/346736211.db2.gz CVMOQCGQZUYYQD-QGZVFWFLSA-N 0 3 289.423 3.334 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC12CCCC2 ZINC000593757716 347112066 /nfs/dbraw/zinc/11/20/66/347112066.db2.gz GSMHNKOTUQNWEO-MRXNPFEDSA-N 0 3 282.387 3.304 20 30 CGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ncccc1[O-] ZINC000589158374 346785693 /nfs/dbraw/zinc/78/56/93/346785693.db2.gz KYWUHBMCBRRQFB-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1[O-] ZINC000589158374 346785694 /nfs/dbraw/zinc/78/56/94/346785694.db2.gz KYWUHBMCBRRQFB-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC000593784965 347115816 /nfs/dbraw/zinc/11/58/16/347115816.db2.gz WZGUZSPGGBKYJF-LRDDRELGSA-N 0 3 290.794 3.423 20 30 CGEDHN Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000593955235 347123260 /nfs/dbraw/zinc/12/32/60/347123260.db2.gz PMSYNNHLXSXICT-MRXNPFEDSA-N 0 3 277.371 3.251 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CCCCO1 ZINC000594041048 347142642 /nfs/dbraw/zinc/14/26/42/347142642.db2.gz JDGNKKPZPRYMGV-CVEARBPZSA-N 0 3 276.355 3.135 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2CC2CCCC2)nc1 ZINC000594053368 347145615 /nfs/dbraw/zinc/14/56/15/347145615.db2.gz OVRXQHZDWCMPBB-QGZVFWFLSA-N 0 3 269.392 3.498 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)CCCCC#N ZINC000594308185 347169313 /nfs/dbraw/zinc/16/93/13/347169313.db2.gz ZJTUQMVPAYYGKV-UHFFFAOYSA-N 0 3 273.380 3.079 20 30 CGEDHN CC[C@@H](C)N1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000594583048 347195682 /nfs/dbraw/zinc/19/56/82/347195682.db2.gz SEYBPEYCDSMAOC-GFCCVEGCSA-N 0 3 293.361 3.416 20 30 CGEDHN CCC(C)(C)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000594594051 347197934 /nfs/dbraw/zinc/19/79/34/347197934.db2.gz JDWVEMIBQNYNOF-UHFFFAOYSA-N 0 3 275.371 3.008 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000594607608 347201907 /nfs/dbraw/zinc/20/19/07/347201907.db2.gz YFCBAIYMDBEZPM-UHFFFAOYSA-N 0 3 284.403 3.100 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594442304 347174647 /nfs/dbraw/zinc/17/46/47/347174647.db2.gz CJZJTPSKXSQRBP-CABCVRRESA-N 0 3 293.455 3.072 20 30 CGEDHN Cc1nn(C)c(C)c1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594500881 347179890 /nfs/dbraw/zinc/17/98/90/347179890.db2.gz BYBLFOSHPFLALB-UHFFFAOYSA-N 0 3 296.418 3.128 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCc2ccc(CO)cc2)cc1 ZINC000594507170 347181473 /nfs/dbraw/zinc/18/14/73/347181473.db2.gz ACPMIZUHJFPEEX-UHFFFAOYSA-N 0 3 294.398 3.270 20 30 CGEDHN Cc1nn(-c2ccc(C)cc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000594507473 347181496 /nfs/dbraw/zinc/18/14/96/347181496.db2.gz CZSLOXTXKQDUNR-DOTOQJQBSA-N 0 3 294.402 3.271 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)[C@H]1CCCCO1 ZINC000594521144 347188975 /nfs/dbraw/zinc/18/89/75/347188975.db2.gz RWRJTXFFWDLRJJ-HZPDHXFCSA-N 0 3 288.391 3.004 20 30 CGEDHN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1cccc(C#N)c1 ZINC000594723458 347213412 /nfs/dbraw/zinc/21/34/12/347213412.db2.gz BINIVKCBZVTFFS-XJKCOSOUSA-N 0 3 258.365 3.166 20 30 CGEDHN N#Cc1csc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000594996900 347252300 /nfs/dbraw/zinc/25/23/00/347252300.db2.gz VEYAEJWFXWHXCW-OWCLPIDISA-N 0 3 284.359 3.187 20 30 CGEDHN CC[C@@H](C)[C@H](CNCc1ccc(C2(C#N)CC2)cc1)OC ZINC000594953542 347239369 /nfs/dbraw/zinc/23/93/69/347239369.db2.gz IBMCLHJJGFHKMO-PBHICJAKSA-N 0 3 286.419 3.392 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)cc1 ZINC000594974741 347246289 /nfs/dbraw/zinc/24/62/89/347246289.db2.gz HOMPMMUOXMMMIY-OALUTQOASA-N 0 3 292.382 3.221 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)cc1 ZINC000594974019 347246484 /nfs/dbraw/zinc/24/64/84/347246484.db2.gz XGYBDVLDWNTRSD-SAABIXHNSA-N 0 3 278.355 3.258 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)c(F)c1 ZINC000594972269 347246508 /nfs/dbraw/zinc/24/65/08/347246508.db2.gz BBZGXISVUZPLCF-JCNLHEQBSA-N 0 3 296.345 3.397 20 30 CGEDHN CCC1(CNCC2(C#N)CCCCC2)CCOCC1 ZINC000594981363 347248815 /nfs/dbraw/zinc/24/88/15/347248815.db2.gz NTXYSMNFNFHYIN-UHFFFAOYSA-N 0 3 264.413 3.257 20 30 CGEDHN C[C@@H](NC[C@@H]1CCOC1(C)C)c1ccc(C#N)cc1F ZINC000595104931 347284494 /nfs/dbraw/zinc/28/44/94/347284494.db2.gz ALAPOOSNZKDXAV-YPMHNXCESA-N 0 3 276.355 3.163 20 30 CGEDHN CCN(CCO[C@H]1CC1(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000595294637 347288353 /nfs/dbraw/zinc/28/83/53/347288353.db2.gz AEKNGZIIGFRIFF-WFASDCNBSA-N 0 3 294.345 3.365 20 30 CGEDHN COC1CC(CCN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000595051990 347269809 /nfs/dbraw/zinc/26/98/09/347269809.db2.gz ZXHQDLLIPONGQF-LKSINWNRSA-N 0 3 276.355 3.163 20 30 CGEDHN CC[C@@H](COCC1CC1)N[C@H](C)c1ccc(C#N)cc1 ZINC000595056165 347271547 /nfs/dbraw/zinc/27/15/47/347271547.db2.gz BNHDZXQBWYJLAQ-DYVFJYSZSA-N 0 3 272.392 3.414 20 30 CGEDHN Cc1ccc([C@H](C)NCCc2ccc(C#N)cc2)o1 ZINC000595058984 347273530 /nfs/dbraw/zinc/27/35/30/347273530.db2.gz DUTAQKYQHCENGY-ZDUSSCGKSA-N 0 3 254.333 3.353 20 30 CGEDHN C[C@@H](NCCc1ccoc1)c1ccc(C#N)cc1F ZINC000595082666 347279978 /nfs/dbraw/zinc/27/99/78/347279978.db2.gz CKYIZILOQCJQMG-LLVKDONJSA-N 0 3 258.296 3.184 20 30 CGEDHN C[C@H](CSCCF)NCC1(C#N)CCCCC1 ZINC000595091925 347281287 /nfs/dbraw/zinc/28/12/87/347281287.db2.gz UTISDBVCLMRMEV-GFCCVEGCSA-N 0 3 258.406 3.141 20 30 CGEDHN CC(C)[C@H](O)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000595096269 347282902 /nfs/dbraw/zinc/28/29/02/347282902.db2.gz IQAANXAYDRPGOD-SVGFKBNWSA-N 0 3 272.392 3.026 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC000595099305 347283284 /nfs/dbraw/zinc/28/32/84/347283284.db2.gz KSRRJOOUMUSSBQ-ZYHUDNBSSA-N 0 3 294.301 3.180 20 30 CGEDHN CC[C@@H](C)N(CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595598528 347323463 /nfs/dbraw/zinc/32/34/63/347323463.db2.gz FXNRVUPNXSJDNG-PBHICJAKSA-N 0 3 299.418 3.174 20 30 CGEDHN N#CC[C@@H]1CCCN(CCCOCCc2ccccc2)C1 ZINC000595611648 347326214 /nfs/dbraw/zinc/32/62/14/347326214.db2.gz MOMDNEKNLWVYMJ-SFHVURJKSA-N 0 3 286.419 3.261 20 30 CGEDHN COc1cccc(SCCN2CCC[C@@H](CC#N)C2)c1 ZINC000595614505 347327484 /nfs/dbraw/zinc/32/74/84/347327484.db2.gz DBWRGCHKAFJIED-AWEZNQCLSA-N 0 3 290.432 3.413 20 30 CGEDHN COc1ccc([C@H](C)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595623946 347329802 /nfs/dbraw/zinc/32/98/02/347329802.db2.gz ZKUSGADEHPZLRZ-CABCVRRESA-N 0 3 272.392 3.424 20 30 CGEDHN CO[C@H](CNC(C)(C)c1cccc(C#N)c1)CC(C)C ZINC000595633759 347330759 /nfs/dbraw/zinc/33/07/59/347330759.db2.gz YRPVSTXDIBQCLS-INIZCTEOSA-N 0 3 274.408 3.444 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000595658462 347334041 /nfs/dbraw/zinc/33/40/41/347334041.db2.gz JLXIOVQGOFQTDR-CYBMUJFWSA-N 0 3 290.363 3.392 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000595661055 347335239 /nfs/dbraw/zinc/33/52/39/347335239.db2.gz XAARDUGRZMWBMH-LSDHHAIUSA-N 0 3 297.402 3.173 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](CCF)C1 ZINC000595755559 347350463 /nfs/dbraw/zinc/35/04/63/347350463.db2.gz OBDLTZAOQBHMEL-ZDUSSCGKSA-N 0 3 276.355 3.138 20 30 CGEDHN CC(C)[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CCN1C ZINC000595463038 347307919 /nfs/dbraw/zinc/30/79/19/347307919.db2.gz YJPGXAQCOLOZSG-CVEARBPZSA-N 0 3 291.826 3.177 20 30 CGEDHN N#Cc1ccc2c(c1)CN(C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000595559051 347319056 /nfs/dbraw/zinc/31/90/56/347319056.db2.gz CXOVWVGMJCFBIX-FMKPAKJESA-N 0 3 252.361 3.310 20 30 CGEDHN CC(C)N1CCCC[C@H]1COc1ccc(C#N)cc1F ZINC000596266739 347407712 /nfs/dbraw/zinc/40/77/12/347407712.db2.gz VABMGIOTNMDQBD-AWEZNQCLSA-N 0 3 276.355 3.339 20 30 CGEDHN CC(C)CC1(NCc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000595832994 347362664 /nfs/dbraw/zinc/36/26/64/347362664.db2.gz YXRGVTPBMBDMJV-UHFFFAOYSA-N 0 3 273.336 3.135 20 30 CGEDHN CC(C)(C)N1CC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000596305887 347413888 /nfs/dbraw/zinc/41/38/88/347413888.db2.gz CAJLFIAZAZIEAQ-OAHLLOKOSA-N 0 3 298.434 3.117 20 30 CGEDHN CN(Cc1ccnc(C#N)c1)C[C@H]1CCc2ccccc21 ZINC000595881507 347369803 /nfs/dbraw/zinc/36/98/03/347369803.db2.gz SSOKDUCIQAFNOJ-MRXNPFEDSA-N 0 3 277.371 3.115 20 30 CGEDHN COCC1(NCc2cc(C#N)ccc2OC)CCCCC1 ZINC000595907624 347370988 /nfs/dbraw/zinc/37/09/88/347370988.db2.gz CGADGHVRHOSITM-UHFFFAOYSA-N 0 3 288.391 3.006 20 30 CGEDHN CCn1nccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000596094844 347382293 /nfs/dbraw/zinc/38/22/93/347382293.db2.gz NEDRMFOXLFZIHC-GOSISDBHSA-N 0 3 294.402 3.332 20 30 CGEDHN CO[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1C ZINC000597110710 347535893 /nfs/dbraw/zinc/53/58/93/347535893.db2.gz KIYUHUVBXLOLDD-PBHICJAKSA-N 0 3 284.403 3.099 20 30 CGEDHN COC(=O)c1ccc(CNCC(C)(C)CC#N)cc1Cl ZINC000597150962 347540887 /nfs/dbraw/zinc/54/08/87/347540887.db2.gz HPISLSSFZYFISE-UHFFFAOYSA-N 0 3 294.782 3.156 20 30 CGEDHN C[C@@]1(c2ccccc2)CC[C@@H](N2CC(CC#N)C2)C1 ZINC000597204228 347554369 /nfs/dbraw/zinc/55/43/69/347554369.db2.gz UVYFTWORGUQURN-IAGOWNOFSA-N 0 3 254.377 3.342 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@H](C)CC#N ZINC000597410563 347573740 /nfs/dbraw/zinc/57/37/40/347573740.db2.gz RBOUBVSHTJAHAP-CQSZACIVSA-N 0 3 285.391 3.079 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000597781171 347592353 /nfs/dbraw/zinc/59/23/53/347592353.db2.gz QHCOODRDYKRETC-KBMXLJTQSA-N 0 3 270.376 3.331 20 30 CGEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598234577 347637471 /nfs/dbraw/zinc/63/74/71/347637471.db2.gz TYLNVTGIXKWEKD-CVEARBPZSA-N 0 3 270.376 3.064 20 30 CGEDHN CC(C)(CC#N)CNCc1ccnn1CCc1ccccc1 ZINC000598645680 347675026 /nfs/dbraw/zinc/67/50/26/347675026.db2.gz MCKCZNSQFPYMBB-UHFFFAOYSA-N 0 3 296.418 3.155 20 30 CGEDHN Cc1cccc2c1C[C@H](NCc1cc(C#N)cs1)CO2 ZINC000598988144 347704374 /nfs/dbraw/zinc/70/43/74/347704374.db2.gz XHQZCVAJAYPIDW-ZDUSSCGKSA-N 0 3 284.384 3.022 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CO[C@H](C2CC2)C1 ZINC000599084945 347715954 /nfs/dbraw/zinc/71/59/54/347715954.db2.gz GONSPFILBUYUAD-NEWSRXKRSA-N 0 3 296.414 3.483 20 30 CGEDHN C[C@@H](c1ccco1)N(C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598598417 347669054 /nfs/dbraw/zinc/66/90/54/347669054.db2.gz RKJYKEZPOHLYKE-JSGCOSHPSA-N 0 3 276.380 3.106 20 30 CGEDHN N#CCc1cccc2c1CCN(CCCCCF)C2 ZINC000599679307 347764701 /nfs/dbraw/zinc/76/47/01/347764701.db2.gz YAYMFLGONBRHCT-UHFFFAOYSA-N 0 3 260.356 3.251 20 30 CGEDHN Cc1ccc(CN(Cc2ccccc2)C[C@H](C)O)cc1C#N ZINC000599298876 347733176 /nfs/dbraw/zinc/73/31/76/347733176.db2.gz AGPMCLRZOAVKJZ-INIZCTEOSA-N 0 3 294.398 3.250 20 30 CGEDHN CCn1ccc(CN(C)Cc2ccc(C)c(C#N)c2)c1 ZINC000599392622 347741522 /nfs/dbraw/zinc/74/15/22/347741522.db2.gz XQVMDZQWJQBZDX-UHFFFAOYSA-N 0 3 267.376 3.320 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000599402956 347742080 /nfs/dbraw/zinc/74/20/80/347742080.db2.gz IEVOZSMSSURXPO-SJORKVTESA-N 0 3 270.376 3.010 20 30 CGEDHN CCO[C@@H](CNC(C)(C)c1cccc(C#N)c1)C1CC1 ZINC000599462031 347746829 /nfs/dbraw/zinc/74/68/29/347746829.db2.gz LPJYQNJFCPUVDC-INIZCTEOSA-N 0 3 272.392 3.198 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000600681569 347828505 /nfs/dbraw/zinc/82/85/05/347828505.db2.gz SWVDTOHOYZQWRC-OAHLLOKOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCSCCNCc1ccc(C(F)F)nc1 ZINC000601105460 347869578 /nfs/dbraw/zinc/86/95/78/347869578.db2.gz HAHPKUAQGGSEFU-UHFFFAOYSA-N 0 3 258.337 3.028 20 30 CGEDHN CC1(C)C[C@@H](NCC2(C#N)CCCCC2)CCO1 ZINC000601963025 347930196 /nfs/dbraw/zinc/93/01/96/347930196.db2.gz IZTCKDLWBHCTSN-ZDUSSCGKSA-N 0 3 250.386 3.008 20 30 CGEDHN C[C@@H](CC1CCC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000601868852 347920503 /nfs/dbraw/zinc/92/05/03/347920503.db2.gz HOEHNIKHSSIGRB-YOEHRIQHSA-N 0 3 284.403 3.454 20 30 CGEDHN Cc1cccc(CN2CCN(C[C@H](C)CCC#N)CC2)c1 ZINC000602436564 347957213 /nfs/dbraw/zinc/95/72/13/347957213.db2.gz WLEREAPHLVZSQK-QGZVFWFLSA-N 0 3 285.435 3.053 20 30 CGEDHN N#CCCN(CC1CC1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602464497 347961822 /nfs/dbraw/zinc/96/18/22/347961822.db2.gz YKBFSMJKOORQJN-KRWDZBQOSA-N 0 3 283.419 3.139 20 30 CGEDHN N#Cc1cccc(CN(CCc2ccc(F)cc2)C2CC2)n1 ZINC000602468863 347963827 /nfs/dbraw/zinc/96/38/27/347963827.db2.gz NVHHZLHMCPVKDO-UHFFFAOYSA-N 0 3 295.361 3.299 20 30 CGEDHN C[C@H](CCC#N)CN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000602470998 347964344 /nfs/dbraw/zinc/96/43/44/347964344.db2.gz AUVDKJPNUVOLNZ-WBVHZDCISA-N 0 3 299.418 3.054 20 30 CGEDHN CCCCOc1ncccc1CNC[C@H](C)CCC#N ZINC000602533442 347976948 /nfs/dbraw/zinc/97/69/48/347976948.db2.gz YNIRAWKXDOCGCJ-CQSZACIVSA-N 0 3 275.396 3.290 20 30 CGEDHN CC[C@@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602535409 347977524 /nfs/dbraw/zinc/97/75/24/347977524.db2.gz YOHUWUBUJBHUSD-HNNXBMFYSA-N 0 3 265.360 3.064 20 30 CGEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602498848 347969895 /nfs/dbraw/zinc/96/98/95/347969895.db2.gz LLSSCPOXANMMQC-OAHLLOKOSA-N 0 3 272.392 3.184 20 30 CGEDHN CCC[C@@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602535099 347977440 /nfs/dbraw/zinc/97/74/40/347977440.db2.gz NAFDILSFRKOMMV-INIZCTEOSA-N 0 3 279.387 3.454 20 30 CGEDHN CC[C@@H](NC[C@H](C)CCC#N)c1nc(C)cs1 ZINC000602564793 347983573 /nfs/dbraw/zinc/98/35/73/347983573.db2.gz NXYVNHFZHLILPD-ZYHUDNBSSA-N 0 3 251.399 3.432 20 30 CGEDHN CN(CC1(CC#N)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000602777663 348027544 /nfs/dbraw/zinc/02/75/44/348027544.db2.gz JRCDXQJSFQVGFV-QGZVFWFLSA-N 0 3 283.419 3.281 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000602573138 347985416 /nfs/dbraw/zinc/98/54/16/347985416.db2.gz OTPZKJDALKOIAI-NEPJUHHUSA-N 0 3 297.324 3.412 20 30 CGEDHN CC(C)c1csc(CNC[C@@H](C)CCC#N)n1 ZINC000602575833 347986269 /nfs/dbraw/zinc/98/62/69/347986269.db2.gz JCORHIWUSGKGIU-NSHDSACASA-N 0 3 251.399 3.296 20 30 CGEDHN N#Cc1cccc(CNCC2(c3ccc(F)cc3F)CC2)n1 ZINC000602575494 347986707 /nfs/dbraw/zinc/98/67/07/347986707.db2.gz DDBUAORLYJDPHY-UHFFFAOYSA-N 0 3 299.324 3.053 20 30 CGEDHN C[C@H](C[C@H]1CCCC(=O)N1)N[C@@H](CCC#N)c1ccccc1 ZINC000602581907 347988187 /nfs/dbraw/zinc/98/81/87/347988187.db2.gz LUESQTULAWDRPR-OIISXLGYSA-N 0 3 299.418 3.068 20 30 CGEDHN C[C@@H](CCC#N)CN1Cc2ccccc2OC[C@H]1C ZINC000602598716 347991211 /nfs/dbraw/zinc/99/12/11/347991211.db2.gz DUNHYCMEYMTNTC-UONOGXRCSA-N 0 3 258.365 3.209 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000602610145 347993058 /nfs/dbraw/zinc/99/30/58/347993058.db2.gz GIAYBALQXGCRHX-RDBSUJKOSA-N 0 3 264.413 3.395 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000602627520 347996758 /nfs/dbraw/zinc/99/67/58/347996758.db2.gz FQLGFXLWQRXCHF-IRXDYDNUSA-N 0 3 291.398 3.454 20 30 CGEDHN CN(Cc1cccc(C#N)n1)C(C)(C)c1ccccc1 ZINC000602656831 348002175 /nfs/dbraw/zinc/00/21/75/348002175.db2.gz YPNTWOHVZCDDKQ-UHFFFAOYSA-N 0 3 265.360 3.320 20 30 CGEDHN N#Cc1cccc(CNC[C@@H](c2ccccc2)C2CC2)n1 ZINC000602670015 348004913 /nfs/dbraw/zinc/00/49/13/348004913.db2.gz LBHJFVLBBWRXJO-SFHVURJKSA-N 0 3 277.371 3.237 20 30 CGEDHN C[C@@H](CCC#N)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000602669584 348005052 /nfs/dbraw/zinc/00/50/52/348005052.db2.gz KGWOFJMGKDVAEI-ZFWWWQNUSA-N 0 3 257.381 3.404 20 30 CGEDHN CCC[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)OC ZINC000602691376 348009975 /nfs/dbraw/zinc/00/99/75/348009975.db2.gz DVGAQUOUJYRLBE-CZUORRHYSA-N 0 3 260.381 3.366 20 30 CGEDHN C[C@H](CCC#N)CN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000602720400 348017176 /nfs/dbraw/zinc/01/71/76/348017176.db2.gz ZOWQILLNJRYEBV-ZBFHGGJFSA-N 0 3 288.391 3.373 20 30 CGEDHN CCC[C@@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602747544 348022839 /nfs/dbraw/zinc/02/28/39/348022839.db2.gz AKANNOJGJOLLJE-SFHVURJKSA-N 0 3 285.435 3.102 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)CC1(CC#N)CC1 ZINC000602762483 348024314 /nfs/dbraw/zinc/02/43/14/348024314.db2.gz JMLHCRVMSUHQKL-UHFFFAOYSA-N 0 3 267.376 3.464 20 30 CGEDHN COc1ccccc1C[C@H]1CCCN1CC1(CC#N)CC1 ZINC000602765343 348025380 /nfs/dbraw/zinc/02/53/80/348025380.db2.gz JZLYUJUHLDMIHX-MRXNPFEDSA-N 0 3 284.403 3.396 20 30 CGEDHN CC(C)(NCC1(CC#N)CC1)c1ccc(F)c(F)c1 ZINC000602798139 348030704 /nfs/dbraw/zinc/03/07/04/348030704.db2.gz AJITWSWLZSLPQR-UHFFFAOYSA-N 0 3 264.319 3.483 20 30 CGEDHN N#Cc1ccccc1NC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000602892997 348040934 /nfs/dbraw/zinc/04/09/34/348040934.db2.gz ADHDEAJHTNZPBQ-PBHICJAKSA-N 0 3 294.402 3.127 20 30 CGEDHN C[C@H]1CC[C@@H](CN2CCC(Nc3ccccc3C#N)CC2)O1 ZINC000602896484 348041718 /nfs/dbraw/zinc/04/17/18/348041718.db2.gz ROGINDYMKABLJF-YOEHRIQHSA-N 0 3 299.418 3.002 20 30 CGEDHN C[C@@H]1CC[C@@H](CN2CCC(Nc3ccccc3C#N)CC2)O1 ZINC000602896481 348041865 /nfs/dbraw/zinc/04/18/65/348041865.db2.gz ROGINDYMKABLJF-PBHICJAKSA-N 0 3 299.418 3.002 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602927216 348045630 /nfs/dbraw/zinc/04/56/30/348045630.db2.gz YKFLKBDTRKJJKU-AWEZNQCLSA-N 0 3 298.789 3.432 20 30 CGEDHN CC(C)(C#N)CCN1CCC(Cc2nccs2)CC1 ZINC000602953871 348046957 /nfs/dbraw/zinc/04/69/57/348046957.db2.gz DPYMAERSFRDJOS-UHFFFAOYSA-N 0 3 277.437 3.337 20 30 CGEDHN CN(CCCCC(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602979477 348050049 /nfs/dbraw/zinc/05/00/49/348050049.db2.gz DSNIDBMOFNERJM-ZIAGYGMSSA-N 0 3 280.412 3.122 20 30 CGEDHN N#CC1(CCN[C@H]2CCCn3nccc32)CCCCC1 ZINC000603030956 348054468 /nfs/dbraw/zinc/05/44/68/348054468.db2.gz YVBTVCIUSPCHBF-AWEZNQCLSA-N 0 3 272.396 3.172 20 30 CGEDHN C=CCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000605149571 348148607 /nfs/dbraw/zinc/14/86/07/348148607.db2.gz WPTBJFGMKFPHPM-UHFFFAOYSA-N 0 3 264.800 3.428 20 30 CGEDHN C=CCCCN(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000605149693 348148744 /nfs/dbraw/zinc/14/87/44/348148744.db2.gz TUMHAGPQBDDLFV-HNNXBMFYSA-N 0 3 274.408 3.172 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1[C@@H](C)CC ZINC000606434330 348182437 /nfs/dbraw/zinc/18/24/37/348182437.db2.gz UTTCQNAJRJNJKE-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000609620040 348348713 /nfs/dbraw/zinc/34/87/13/348348713.db2.gz KMTPEDANTVOALG-CXAGYDPISA-N 0 3 294.354 3.060 20 30 CGEDHN CC(C)c1ccc(C(C)(C)NC(=O)C(C)C#N)cc1 ZINC000610426276 348382419 /nfs/dbraw/zinc/38/24/19/348382419.db2.gz OEJQOLNKZHGGIA-GFCCVEGCSA-N 0 3 258.365 3.321 20 30 CGEDHN CC(C)C[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000610994183 348416590 /nfs/dbraw/zinc/41/65/90/348416590.db2.gz PDYDJJDULASPFM-CQSZACIVSA-N 0 3 257.381 3.211 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)c1nccs1 ZINC000273369692 192129058 /nfs/dbraw/zinc/12/90/58/192129058.db2.gz DWNJNOCQLKVBHO-JTQLQIEISA-N 0 3 275.352 3.047 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc3cnccc32)CC1 ZINC000611983556 348484827 /nfs/dbraw/zinc/48/48/27/348484827.db2.gz WIFJJIJGELJAOT-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611394342 348446237 /nfs/dbraw/zinc/44/62/37/348446237.db2.gz DCLLRCSZGZEDJR-KRWDZBQOSA-N 0 3 270.376 3.118 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000611431806 348451295 /nfs/dbraw/zinc/45/12/95/348451295.db2.gz BNZYRWJOKRVYAL-KRWDZBQOSA-N 0 3 291.483 3.369 20 30 CGEDHN CC[C@@H](CN1CCCC1)Nc1ncc(Cl)c(C)c1C#N ZINC000612080091 348491229 /nfs/dbraw/zinc/49/12/29/348491229.db2.gz IJRUQNDLJOJJHS-LBPRGKRZSA-N 0 3 292.814 3.201 20 30 CGEDHN C[C@H](C[C@@H]1CCOC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000611587710 348462195 /nfs/dbraw/zinc/46/21/95/348462195.db2.gz PGFZHXJUUMZPKX-DYEKYZERSA-N 0 3 276.355 3.163 20 30 CGEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(N2CCCC2)n1 ZINC000613255885 348581285 /nfs/dbraw/zinc/58/12/85/348581285.db2.gz TWLAAXQVNVJJIT-RDJZCZTQSA-N 0 3 298.434 3.162 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(CC2CCCCCC2)CC1 ZINC000613023088 348560251 /nfs/dbraw/zinc/56/02/51/348560251.db2.gz YCGQLZOZRQLHBU-KRWDZBQOSA-N 0 3 277.456 3.123 20 30 CGEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCCO1 ZINC000614160733 348653608 /nfs/dbraw/zinc/65/36/08/348653608.db2.gz CITUXUDDRAQZAC-INIZCTEOSA-N 0 3 272.392 3.099 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000613666826 348626524 /nfs/dbraw/zinc/62/65/24/348626524.db2.gz BBFOTUQFMVQUSO-GUTXKFCHSA-N 0 3 258.365 3.428 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000614963585 348704313 /nfs/dbraw/zinc/70/43/13/348704313.db2.gz IBCZGGJUGCZHTF-RDTXWAMCSA-N 0 3 284.403 3.368 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(SC)c(OC)c1 ZINC000273480727 192168000 /nfs/dbraw/zinc/16/80/00/192168000.db2.gz UQJROVUCUUODEF-DGCLKSJQSA-N 0 3 281.421 3.005 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC1CC(F)(F)C1 ZINC000617585450 348979327 /nfs/dbraw/zinc/97/93/27/348979327.db2.gz FYFZNWJYFZFJFQ-CQSZACIVSA-N 0 3 262.303 3.323 20 30 CGEDHN C[C@H](NCCCc1ccccn1)c1ccc(C#N)cc1F ZINC000358555574 233154119 /nfs/dbraw/zinc/15/41/19/233154119.db2.gz ALIJNSYWQXIJEJ-ZDUSSCGKSA-N 0 3 283.350 3.376 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000617783177 349011660 /nfs/dbraw/zinc/01/16/60/349011660.db2.gz VBERDHHOMJKBLF-HNNXBMFYSA-N 0 3 286.419 3.177 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000617785520 349012929 /nfs/dbraw/zinc/01/29/29/349012929.db2.gz KXCGZSXSZAQHOR-QKPAOTATSA-N 0 3 278.440 3.062 20 30 CGEDHN CN(C)CCOc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000618574551 349109449 /nfs/dbraw/zinc/10/94/49/349109449.db2.gz BWJXIBMROHVHHY-HUUCEWRRSA-N 0 3 287.407 3.121 20 30 CGEDHN CN(CCSCc1ccnc(C#N)c1)Cc1ccccc1 ZINC000618966043 349187776 /nfs/dbraw/zinc/18/77/76/349187776.db2.gz XJOBSZOGIZZMLJ-UHFFFAOYSA-N 0 3 297.427 3.318 20 30 CGEDHN C[C@@H]1C[C@@H](C)N1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000619431652 349249731 /nfs/dbraw/zinc/24/97/31/349249731.db2.gz UKXAHXJOUJJZCY-HUUCEWRRSA-N 0 3 294.402 3.446 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CCC)CC(C)C)CC1 ZINC000518003292 260333412 /nfs/dbraw/zinc/33/34/12/260333412.db2.gz LGARNDCDKFGITP-UHFFFAOYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CCN(C[C@H](OC)c1ccc(F)cc1)[C@H](C)COC ZINC000625530135 350181127 /nfs/dbraw/zinc/18/11/27/350181127.db2.gz IXBQUWDODBVLFY-CJNGLKHVSA-N 0 3 281.371 3.036 20 30 CGEDHN C=CC[C@H]1CCN(CCOc2ccccc2C(C)=O)C1 ZINC000625701132 350198865 /nfs/dbraw/zinc/19/88/65/350198865.db2.gz NLMUSOYTBQDTJE-HNNXBMFYSA-N 0 3 273.376 3.166 20 30 CGEDHN C=CC[C@H]1CCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000625704118 350200860 /nfs/dbraw/zinc/20/08/60/350200860.db2.gz VQYKDQPSFGLASH-ZDUSSCGKSA-N 0 3 261.340 3.297 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(OCC)c(OC)c2)C1 ZINC000628405397 350528941 /nfs/dbraw/zinc/52/89/41/350528941.db2.gz KXDTXVODAOOHFA-CQSZACIVSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cccc(OC)c2OC)C1 ZINC000628405916 350529565 /nfs/dbraw/zinc/52/95/65/350529565.db2.gz XJIGMQQRSINXCZ-ZDUSSCGKSA-N 0 3 261.365 3.102 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc(N(CC)CC)s2)C1 ZINC000628405983 350529673 /nfs/dbraw/zinc/52/96/73/350529673.db2.gz ZHBIWZPQCWQCSM-ZDUSSCGKSA-N 0 3 279.453 3.387 20 30 CGEDHN C=CCC[C@@H](NCc1c(Br)cnn1C)C1CC1 ZINC000631684271 351118885 /nfs/dbraw/zinc/11/88/85/351118885.db2.gz LJDGDNHALNCRAZ-GFCCVEGCSA-N 0 3 298.228 3.017 20 30 CGEDHN Cc1cc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000633900275 351393232 /nfs/dbraw/zinc/39/32/32/351393232.db2.gz OQPSPPCAXFKKSK-LBPRGKRZSA-N 0 3 285.372 3.262 20 30 CGEDHN C=C(Cl)CN[C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271503247 191178129 /nfs/dbraw/zinc/17/81/29/191178129.db2.gz NMOHMGIUTIITFG-CYBMUJFWSA-N 0 3 282.815 3.030 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292110663 198165855 /nfs/dbraw/zinc/16/58/55/198165855.db2.gz HCGUSOKCHABJLO-YOEHRIQHSA-N 0 3 293.370 3.168 20 30 CGEDHN C=CCC[C@H](O)CNC1(c2cccc(Cl)c2)CC1 ZINC000271650470 191258713 /nfs/dbraw/zinc/25/87/13/191258713.db2.gz BBAWZNYOXQPUHW-AWEZNQCLSA-N 0 3 265.784 3.246 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC3(CC2)OCCc2ccccc23)C1 ZINC000334643993 283067244 /nfs/dbraw/zinc/06/72/44/283067244.db2.gz ABUAZCSEECSEOZ-RDJZCZTQSA-N 0 3 296.414 3.243 20 30 CGEDHN CCCN(CC(=O)N(C)C1(C#N)CCCCC1)CC(C)C ZINC000346603993 283089226 /nfs/dbraw/zinc/08/92/26/283089226.db2.gz OPHMBDBIFMAHRQ-UHFFFAOYSA-N 0 3 293.455 3.039 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(F)cc1)CC2 ZINC000336396458 283196684 /nfs/dbraw/zinc/19/66/84/283196684.db2.gz RMTCMNQZPHQOQA-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN COc1cccc([C@H](C)NCc2cc(C#N)cs2)c1 ZINC000093492427 138346296 /nfs/dbraw/zinc/34/62/96/138346296.db2.gz ILIRKLUFZAWQMM-NSHDSACASA-N 0 3 272.373 3.479 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccc(F)c(F)c2)cc1 ZINC000106470718 138354933 /nfs/dbraw/zinc/35/49/33/138354933.db2.gz PCYOGSIBXUKPMB-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)C1CCCCC1 ZINC000425542490 236258475 /nfs/dbraw/zinc/25/84/75/236258475.db2.gz YEIRQBKLBQNNRU-KDOFPFPSSA-N 0 3 286.419 3.492 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCO[C@@H]1CCCCO1 ZINC000425537745 236259162 /nfs/dbraw/zinc/25/91/62/236259162.db2.gz QZAPDDNEQNWYKT-RHSMWYFYSA-N 0 3 288.391 3.094 20 30 CGEDHN N#Cc1ccccc1OCCN1CC[C@@H]1Cc1ccccc1 ZINC000437827790 237358944 /nfs/dbraw/zinc/35/89/44/237358944.db2.gz IEQGDBRNMZRSHO-GOSISDBHSA-N 0 3 292.382 3.254 20 30 CGEDHN CCC[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000297445953 200192358 /nfs/dbraw/zinc/19/23/58/200192358.db2.gz WOOCANVLESMMKZ-BXUZGUMPSA-N 0 3 264.344 3.163 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)s1)Oc1ccccc1F ZINC000176978313 189017980 /nfs/dbraw/zinc/01/79/80/189017980.db2.gz CNAAYHPZKSZHSQ-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccccc1 ZINC000181376906 189294905 /nfs/dbraw/zinc/29/49/05/189294905.db2.gz BLNQHVPNQPXODM-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000302104884 201344770 /nfs/dbraw/zinc/34/47/70/201344770.db2.gz MYUFROUOAILAIR-KGLIPLIRSA-N 0 3 299.418 3.293 20 30 CGEDHN C[C@@H](N[C@@H]1CCCSC1)c1ccc(C#N)cc1F ZINC000336376897 213230873 /nfs/dbraw/zinc/23/08/73/213230873.db2.gz BRSSQQXLIWQKLB-ZYHUDNBSSA-N 0 3 264.369 3.244 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000120561278 370782093 /nfs/dbraw/zinc/78/20/93/370782093.db2.gz STRBXWFBXGXWSF-CHWSQXEVSA-N 0 3 258.365 3.045 20 30 CGEDHN CCC1(NCc2nnc(-c3cccc(C#N)c3)o2)CCCC1 ZINC000451278049 240264812 /nfs/dbraw/zinc/26/48/12/240264812.db2.gz UECKZKGVFRPYMV-UHFFFAOYSA-N 0 3 296.374 3.421 20 30 CGEDHN C[C@@]12CN(Cc3cc(C#N)ccc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451355878 240281072 /nfs/dbraw/zinc/28/10/72/240281072.db2.gz CUZJRSHZEFBURR-VUNQQRPYSA-N 0 3 282.362 3.341 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(C#N)cc1 ZINC000036991955 299383714 /nfs/dbraw/zinc/38/37/14/299383714.db2.gz IQZPCJVXPZCQOE-BLLLJJGKSA-N 0 3 280.375 3.020 20 30 CGEDHN CCC[C@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000574191907 334999547 /nfs/dbraw/zinc/99/95/47/334999547.db2.gz LWXFHXRLSVKQPJ-IAGOWNOFSA-N 0 3 269.392 3.431 20 30 CGEDHN C=CCOc1cccc(CN[C@H](CCO)c2ccccc2)c1 ZINC000124460905 370924984 /nfs/dbraw/zinc/92/49/84/370924984.db2.gz DOSZPMRNNPUJLS-LJQANCHMSA-N 0 3 297.398 3.465 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(Cl)cc1 ZINC000123813283 370915701 /nfs/dbraw/zinc/91/57/01/370915701.db2.gz UPGJQDLHLJISAL-SMDDNHRTSA-N 0 3 280.799 3.071 20 30 CGEDHN COc1cccc([C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000037748659 369103735 /nfs/dbraw/zinc/10/37/35/369103735.db2.gz XEFVLGVQIUKUJA-CYBMUJFWSA-N 0 3 266.344 3.418 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2ccccn2)cc1F ZINC000048540414 369356840 /nfs/dbraw/zinc/35/68/40/369356840.db2.gz ITHMYWVTPCXAJE-LBPRGKRZSA-N 0 3 254.264 3.019 20 30 CGEDHN CN(CCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000048811110 369371513 /nfs/dbraw/zinc/37/15/13/369371513.db2.gz NXJLXCLAVSBVBM-UHFFFAOYSA-N 0 3 266.344 3.069 20 30 CGEDHN N#Cc1ccc(CN(CC2CC2)CC2CC2)c(F)c1 ZINC000070505316 369803577 /nfs/dbraw/zinc/80/35/77/369803577.db2.gz FDHVSJSDHIVEMS-UHFFFAOYSA-N 0 3 258.340 3.319 20 30 CGEDHN CCCN(CCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000076746455 369941362 /nfs/dbraw/zinc/94/13/62/369941362.db2.gz QWRAUPRGOFVWGE-GOSISDBHSA-N 0 3 285.435 3.277 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000076734626 369941624 /nfs/dbraw/zinc/94/16/24/369941624.db2.gz XJCMVENRORCKJD-LLVKDONJSA-N 0 3 282.334 3.190 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2sccc21 ZINC000090883534 370070403 /nfs/dbraw/zinc/07/04/03/370070403.db2.gz HULDJUBWCYIFIL-ZDUSSCGKSA-N 0 3 251.395 3.308 20 30 CGEDHN N#CCCn1cc(CN2CCCCC2)c(-c2ccccc2)n1 ZINC000092106909 370092729 /nfs/dbraw/zinc/09/27/29/370092729.db2.gz LTZXGOGANKMSNG-UHFFFAOYSA-N 0 3 294.402 3.450 20 30 CGEDHN N#Cc1cc(F)ccc1CN1CCC[C@H]1C1CCC1 ZINC000103143396 370319568 /nfs/dbraw/zinc/31/95/68/370319568.db2.gz XKZJFNXDIDQGMF-INIZCTEOSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCOc1ccccc1CN(C)[C@@H]1CCSC1 ZINC000130548227 371042952 /nfs/dbraw/zinc/04/29/52/371042952.db2.gz DAIFQNXUIYLDNB-CQSZACIVSA-N 0 3 263.406 3.189 20 30 CGEDHN COCc1ccc([C@H]2CCCN2CCCCC#N)o1 ZINC000131117962 371084477 /nfs/dbraw/zinc/08/44/77/371084477.db2.gz QKGVNPTZAJIZPU-CQSZACIVSA-N 0 3 262.353 3.257 20 30 CGEDHN C[C@@H](C[C@@H](O)c1cccs1)NCc1ccc(C#N)cc1 ZINC000131216179 371091249 /nfs/dbraw/zinc/09/12/49/371091249.db2.gz YUZQXWUQZAHNCD-SWLSCSKDSA-N 0 3 286.400 3.222 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000131346485 371100418 /nfs/dbraw/zinc/10/04/18/371100418.db2.gz RWGQOHMJIVKLRS-CQSZACIVSA-N 0 3 290.432 3.306 20 30 CGEDHN COc1ccc(OCCN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000132238678 371161001 /nfs/dbraw/zinc/16/10/01/371161001.db2.gz WTZZMVPDTGRSPO-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C=CCCN(Cc1cc(OC)ccc1OC)C1CC1 ZINC000132482791 371177569 /nfs/dbraw/zinc/17/75/69/371177569.db2.gz FVTHSSWZAUNNQY-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN CCCCN1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000286455719 371504109 /nfs/dbraw/zinc/50/41/09/371504109.db2.gz SADPIDQTYVPKGW-UHFFFAOYSA-N 0 3 298.843 3.345 20 30 CGEDHN C=C(C)CN(CCCC(=O)OC)Cc1ccccc1 ZINC000153212585 371757686 /nfs/dbraw/zinc/75/76/86/371757686.db2.gz IHRIZYCSGALSFZ-UHFFFAOYSA-N 0 3 261.365 3.018 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(Br)nc1 ZINC000289531980 371758485 /nfs/dbraw/zinc/75/84/85/371758485.db2.gz AFSRSBCWCIVBLL-NSHDSACASA-N 0 3 299.212 3.087 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(OC(F)F)c1)C(C)C ZINC000289554402 371758839 /nfs/dbraw/zinc/75/88/39/371758839.db2.gz RIWGJLKWYOYSHZ-LBPRGKRZSA-N 0 3 283.318 3.044 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000289666291 371786063 /nfs/dbraw/zinc/78/60/63/371786063.db2.gz GYYNKGLXBGHLPX-ZJUUUORDSA-N 0 3 274.191 3.061 20 30 CGEDHN CC#CCCN(C)Cc1cc(Br)cs1 ZINC000155102020 371906046 /nfs/dbraw/zinc/90/60/46/371906046.db2.gz NFTADHVCBIXUSM-UHFFFAOYSA-N 0 3 272.211 3.356 20 30 CGEDHN N#Cc1ncccc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000290505433 372004186 /nfs/dbraw/zinc/00/41/86/372004186.db2.gz LDJDPQKTWGPJSX-GOSISDBHSA-N 0 3 292.386 3.202 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccc(F)cc1 ZINC000157215493 372011991 /nfs/dbraw/zinc/01/19/91/372011991.db2.gz IKSOLOYBPXQCNH-HNNXBMFYSA-N 0 3 297.373 3.446 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000159011917 372098574 /nfs/dbraw/zinc/09/85/74/372098574.db2.gz AVFWTTFXEXJTDW-CQSZACIVSA-N 0 3 291.391 3.025 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H]2CC2(C)C)cc1OC ZINC000426578187 372165082 /nfs/dbraw/zinc/16/50/82/372165082.db2.gz HDEXNXIXOLMPCI-INIZCTEOSA-N 0 3 275.392 3.490 20 30 CGEDHN N#CCCCCNCc1nc2ccc(F)cc2s1 ZINC000428876279 372277835 /nfs/dbraw/zinc/27/78/35/372277835.db2.gz ZWEMIPXMHWMDKS-UHFFFAOYSA-N 0 3 263.341 3.219 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC000161388197 372319148 /nfs/dbraw/zinc/31/91/48/372319148.db2.gz RDBMZMGXKPAAHU-OAHLLOKOSA-N 0 3 294.402 3.194 20 30 CGEDHN C=C(C)CN(CCc1ccccn1)Cc1cccnc1 ZINC000430336669 372388358 /nfs/dbraw/zinc/38/83/58/372388358.db2.gz YZXBYVZLRNUHFT-UHFFFAOYSA-N 0 3 267.376 3.097 20 30 CGEDHN Cc1c([C@@H](C)NCC2(CC#N)CC2)cnn1C(C)(C)C ZINC000430742040 372394414 /nfs/dbraw/zinc/39/44/14/372394414.db2.gz VOKOPVZSXFOPDY-GFCCVEGCSA-N 0 3 274.412 3.291 20 30 CGEDHN C=C(C)CN(CC)C[C@@H](O)c1cc2ccccc2o1 ZINC000293527563 372403179 /nfs/dbraw/zinc/40/31/79/372403179.db2.gz PFWSHLUYDYHPBK-CQSZACIVSA-N 0 3 259.349 3.364 20 30 CGEDHN CN(C)[C@@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000431523327 372482472 /nfs/dbraw/zinc/48/24/72/372482472.db2.gz KYOUKDHDVXUUJF-KRWDZBQOSA-N 0 3 293.370 3.190 20 30 CGEDHN Cc1ccccc1[C@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000431423950 372470445 /nfs/dbraw/zinc/47/04/45/372470445.db2.gz WVYBOLWWFBIICR-OCCSQVGLSA-N 0 3 258.365 3.358 20 30 CGEDHN CC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433218443 372584309 /nfs/dbraw/zinc/58/43/09/372584309.db2.gz IJQILLJBSGVJED-DOTOQJQBSA-N 0 3 284.403 3.408 20 30 CGEDHN C=C[C@@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433286292 372586369 /nfs/dbraw/zinc/58/63/69/372586369.db2.gz JFWPONDIRQSFFB-YGRLFVJLSA-N 0 3 260.337 3.481 20 30 CGEDHN C=CCOCCN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000294719048 372668183 /nfs/dbraw/zinc/66/81/83/372668183.db2.gz VMZJXCKMCOLORS-OAHLLOKOSA-N 0 3 274.408 3.140 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)nc2ccccc21 ZINC000435592653 372781656 /nfs/dbraw/zinc/78/16/56/372781656.db2.gz MPTFYHTVXRMITL-KDOFPFPSSA-N 0 3 282.387 3.358 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](C)c2cccc(C3CC3)c2)C1=O ZINC000295543663 372820510 /nfs/dbraw/zinc/82/05/10/372820510.db2.gz WMMGYOUGBYOUMX-DYVFJYSZSA-N 0 3 284.403 3.002 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccsc1Cl ZINC000435738876 372799337 /nfs/dbraw/zinc/79/93/37/372799337.db2.gz DCVJFHPCMBTLJG-ZYHUDNBSSA-N 0 3 271.813 3.472 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(OC)cc1Cl ZINC000435740596 372799578 /nfs/dbraw/zinc/79/95/78/372799578.db2.gz FKTPVSVJMRDTTL-BBRMVZONSA-N 0 3 295.810 3.419 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437268853 372847393 /nfs/dbraw/zinc/84/73/93/372847393.db2.gz NNQMBCNMIWXFIA-VIRWGQHYSA-N 0 3 283.158 3.125 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H]1Cc1ccccc1 ZINC000438481886 372962104 /nfs/dbraw/zinc/96/21/04/372962104.db2.gz ZAZICVNILDZBSA-SFHVURJKSA-N 0 3 292.382 3.384 20 30 CGEDHN COc1cc(CN(C)CCOc2ccccc2)ccc1C#N ZINC000442797210 373086007 /nfs/dbraw/zinc/08/60/07/373086007.db2.gz GVORIZXCYDPWMX-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000442829031 373098782 /nfs/dbraw/zinc/09/87/82/373098782.db2.gz OGDOTDYITCOSBS-APYUEPQZSA-N 0 3 276.355 3.184 20 30 CGEDHN CO[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000442888081 373118439 /nfs/dbraw/zinc/11/84/39/373118439.db2.gz DOTJCSZRJNUVPP-KCPJHIHWSA-N 0 3 278.783 3.309 20 30 CGEDHN C=CC[C@@H]1N(Cc2n[nH]c(C3CC3)n2)CCCC1(C)C ZINC000444774045 373270029 /nfs/dbraw/zinc/27/00/29/373270029.db2.gz HHNYDMNUZLSMCJ-ZDUSSCGKSA-N 0 3 274.412 3.249 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1)c1ccsc1 ZINC000298399676 373315473 /nfs/dbraw/zinc/31/54/73/373315473.db2.gz GFLMKMBSVTYKDS-HNNXBMFYSA-N 0 3 271.389 3.335 20 30 CGEDHN COc1cc(CNC2CC(OC(C)(C)C)C2)ccc1C#N ZINC000353606883 220184853 /nfs/dbraw/zinc/18/48/53/220184853.db2.gz FMBIERVYHJRPNP-UHFFFAOYSA-N 0 3 288.391 3.003 20 30 CGEDHN CCCCn1cc(CN[C@H]2CCC[C@H](C#N)C2)c(C)n1 ZINC000446807283 373364145 /nfs/dbraw/zinc/36/41/45/373364145.db2.gz YRABLMHTZJSOKD-HOCLYGCPSA-N 0 3 274.412 3.164 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000446877832 373373578 /nfs/dbraw/zinc/37/35/78/373373578.db2.gz OVOMNMMUUICREM-WBMJQRKESA-N 0 3 282.318 3.191 20 30 CGEDHN N#Cc1cccc(C2(NCC[C@H](O)c3ccccc3)CC2)c1 ZINC000298985260 373441783 /nfs/dbraw/zinc/44/17/83/373441783.db2.gz PPFMHOWKOSHDKP-SFHVURJKSA-N 0 3 292.382 3.261 20 30 CGEDHN CCN(C[C@@H]1CCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000299074829 373455134 /nfs/dbraw/zinc/45/51/34/373455134.db2.gz QECBOIDPCJJCTR-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN CC[C@@H](NCCOC(F)(F)F)c1ccc(C#N)cc1 ZINC000447596311 373462324 /nfs/dbraw/zinc/46/23/24/373462324.db2.gz CFFUGUGNBLLIOO-GFCCVEGCSA-N 0 3 272.270 3.135 20 30 CGEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nnc(CC)[n-]1 ZINC000449203770 373669739 /nfs/dbraw/zinc/66/97/39/373669739.db2.gz KXESDFBBCWSOJS-NEPJUHHUSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nnc(CC)[nH]1 ZINC000449203770 373669747 /nfs/dbraw/zinc/66/97/47/373669747.db2.gz KXESDFBBCWSOJS-NEPJUHHUSA-N 0 3 250.390 3.153 20 30 CGEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449223266 373673221 /nfs/dbraw/zinc/67/32/21/373673221.db2.gz FSFRIZFYSBCRDQ-UHFFFAOYSA-N 0 3 273.355 3.234 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000449473333 373758788 /nfs/dbraw/zinc/75/87/88/373758788.db2.gz BLSMRIIBEYEGOT-CQSZACIVSA-N 0 3 288.366 3.136 20 30 CGEDHN C=C(C)CCNCc1nc2ccc(OC)cc2s1 ZINC000449477023 373763837 /nfs/dbraw/zinc/76/38/37/373763837.db2.gz OGSBLRQEXZBEMN-UHFFFAOYSA-N 0 3 262.378 3.361 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](OC)[C@@H](C)C1 ZINC000449510989 373810479 /nfs/dbraw/zinc/81/04/79/373810479.db2.gz YANSBIBDCCCXFO-HOCLYGCPSA-N 0 3 275.392 3.108 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000449519043 373818028 /nfs/dbraw/zinc/81/80/28/373818028.db2.gz KZLJFNWJJWTXBN-OLZOCXBDSA-N 0 3 287.281 3.018 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000449520811 373820012 /nfs/dbraw/zinc/82/00/12/373820012.db2.gz QKACVHMDYMYDBY-MSOLQXFVSA-N 0 3 280.371 3.182 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000449546445 373830420 /nfs/dbraw/zinc/83/04/20/373830420.db2.gz CBHNWOVSMLNPMZ-NGFQHRJXSA-N 0 3 261.365 3.226 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000449682459 373840645 /nfs/dbraw/zinc/84/06/45/373840645.db2.gz HEZWQOQHXRMNND-GOSISDBHSA-N 0 3 287.403 3.254 20 30 CGEDHN C=C(C)CN1CCC(Nc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000302463442 373873748 /nfs/dbraw/zinc/87/37/48/373873748.db2.gz AUYMDPWYTBSDHH-UHFFFAOYSA-N 0 3 289.379 3.356 20 30 CGEDHN CCN(Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000180103012 373965809 /nfs/dbraw/zinc/96/58/09/373965809.db2.gz SCPLUVVHCUTTJL-UHFFFAOYSA-N 0 3 288.391 3.362 20 30 CGEDHN C=CCSCCN[C@H](C)c1nc2ccccc2n1C ZINC000180162155 373972015 /nfs/dbraw/zinc/97/20/15/373972015.db2.gz UXCNQYCYFIWFJT-GFCCVEGCSA-N 0 3 275.421 3.143 20 30 CGEDHN CO[C@@]1(C)C[C@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC000180252009 373983489 /nfs/dbraw/zinc/98/34/89/373983489.db2.gz UAGJZUYTNHWFHN-ZFWWWQNUSA-N 0 3 278.421 3.255 20 30 CGEDHN CCCCCN(CCCOC)CC1(C#N)CCC1 ZINC000450703607 374172179 /nfs/dbraw/zinc/17/21/79/374172179.db2.gz CRRJIBIJCIFLRZ-UHFFFAOYSA-N 0 3 252.402 3.209 20 30 CGEDHN CCN(CC1(C#N)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000450747596 374176290 /nfs/dbraw/zinc/17/62/90/374176290.db2.gz PHYCAEGAPHYOLB-SFHVURJKSA-N 0 3 297.446 3.277 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000451604776 374205222 /nfs/dbraw/zinc/20/52/22/374205222.db2.gz INZLILIYBRXQDD-FZQKWOKYSA-N 0 3 269.747 3.473 20 30 CGEDHN C=CC1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000182266107 374248572 /nfs/dbraw/zinc/24/85/72/374248572.db2.gz JTNBQKGAMKCUAF-UHFFFAOYSA-N 0 3 261.340 3.297 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C(C)(C)C)C1 ZINC000317696652 374339408 /nfs/dbraw/zinc/33/94/08/374339408.db2.gz CQRFFOSHUXSJAI-HIFRSBDPSA-N 0 3 299.418 3.253 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@@H](C)C1CCC1 ZINC000325641618 374358918 /nfs/dbraw/zinc/35/89/18/374358918.db2.gz ZXHCESMXWJPNKZ-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC(=O)NC2CCCC2)C12CCCC2 ZINC000329299599 374401716 /nfs/dbraw/zinc/40/17/16/374401716.db2.gz UZAHWPPDQLSZML-HUUCEWRRSA-N 0 3 294.439 3.213 20 30 CGEDHN Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c(=O)[nH]1 ZINC000329675442 374420820 /nfs/dbraw/zinc/42/08/20/374420820.db2.gz PAULAZZAHMQVHY-AWEZNQCLSA-N 0 3 289.379 3.091 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000185198113 374609634 /nfs/dbraw/zinc/60/96/34/374609634.db2.gz UIQVLUJLOABKFQ-DLBZAZTESA-N 0 3 272.392 3.242 20 30 CGEDHN C=CCN1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185383953 374652613 /nfs/dbraw/zinc/65/26/13/374652613.db2.gz WFTDBGRNYKZHRH-CQSZACIVSA-N 0 3 274.408 3.002 20 30 CGEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)[C@@H]1COc2ccccc21 ZINC000185630330 374702028 /nfs/dbraw/zinc/70/20/28/374702028.db2.gz IWDQFYUSCFLRHC-WBMJQRKESA-N 0 3 296.345 3.352 20 30 CGEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@H]1COc2ccccc21 ZINC000185571102 374689556 /nfs/dbraw/zinc/68/95/56/374689556.db2.gz UNEBJJUZTINPSG-BLLLJJGKSA-N 0 3 296.345 3.352 20 30 CGEDHN Cn1cccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334375617 374694453 /nfs/dbraw/zinc/69/44/53/374694453.db2.gz DOXKGAKIIOWGRO-QGZVFWFLSA-N 0 3 265.360 3.064 20 30 CGEDHN C[C@@H]1CSC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000334392847 374709805 /nfs/dbraw/zinc/70/98/05/374709805.db2.gz YPNPMUSBWZAQGP-RNCFNFMXSA-N 0 3 266.797 3.053 20 30 CGEDHN C=CCSCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185969139 374776020 /nfs/dbraw/zinc/77/60/20/374776020.db2.gz HVPQOVVTDBUZKD-LBPRGKRZSA-N 0 3 251.395 3.270 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccccc1C(F)(F)F ZINC000186695216 374900622 /nfs/dbraw/zinc/90/06/22/374900622.db2.gz WHWGQEOVYJNNGP-GHMZBOCLSA-N 0 3 273.298 3.293 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000186706388 374902402 /nfs/dbraw/zinc/90/24/02/374902402.db2.gz CNBIFRUGLZJIIN-YPMHNXCESA-N 0 3 275.348 3.029 20 30 CGEDHN Cc1ccncc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000334666797 374954730 /nfs/dbraw/zinc/95/47/30/374954730.db2.gz JXQROTUBILAVKC-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1sc(C(C)C)nc1C ZINC000186708157 374904079 /nfs/dbraw/zinc/90/40/79/374904079.db2.gz WUQMSUWXMMSWES-JQWIXIFHSA-N 0 3 268.426 3.163 20 30 CGEDHN C=CCOCCCN1CCc2cc(OCCC)ccc2C1 ZINC000470762855 374998549 /nfs/dbraw/zinc/99/85/49/374998549.db2.gz ZLUGKTJVTVWANQ-UHFFFAOYSA-N 0 3 289.419 3.426 20 30 CGEDHN CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCS1 ZINC000187695306 375075025 /nfs/dbraw/zinc/07/50/25/375075025.db2.gz RBMUPXOIKXKFRC-SWLSCSKDSA-N 0 3 260.406 3.447 20 30 CGEDHN CCCN(CC#Cc1ccc(Cl)cc1)CC(C)(C)O ZINC000474233908 375089888 /nfs/dbraw/zinc/08/98/88/375089888.db2.gz SNLLOLZENHOSLK-UHFFFAOYSA-N 0 3 279.811 3.174 20 30 CGEDHN CC(C)C[C@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000487445600 375241703 /nfs/dbraw/zinc/24/17/03/375241703.db2.gz VJZIXAPDNKPQHF-FUHWJXTLSA-N 0 3 285.435 3.303 20 30 CGEDHN C=CCN(CC(=O)NC(C)(C)CC)CC1CCCCC1 ZINC000484670639 375188722 /nfs/dbraw/zinc/18/87/22/375188722.db2.gz PUWJDOLKNYGTDQ-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](c3cccnc3)C2)ccc1F ZINC000335419783 375279016 /nfs/dbraw/zinc/27/90/16/375279016.db2.gz XXIOPIWEGCDHJJ-OAHLLOKOSA-N 0 3 281.334 3.082 20 30 CGEDHN C=CCN(CC[C@@H]1CCCO1)Cc1cccc(C#N)c1 ZINC000188916318 375292122 /nfs/dbraw/zinc/29/21/22/375292122.db2.gz MMVBQIMQMBMAAX-KRWDZBQOSA-N 0 3 270.376 3.115 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000335445824 375300025 /nfs/dbraw/zinc/30/00/25/375300025.db2.gz XLRXJKFBBIQUEL-GFCCVEGCSA-N 0 3 270.376 3.028 20 30 CGEDHN C=C(CC)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000494485539 375488342 /nfs/dbraw/zinc/48/83/42/375488342.db2.gz LGTBMAJAILXGJJ-ZIAGYGMSSA-N 0 3 282.428 3.188 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNCc1cncc(F)c1)C(C)C ZINC000494543501 375490269 /nfs/dbraw/zinc/49/02/69/375490269.db2.gz BJQCLYASOCAGJU-KRWDZBQOSA-N 0 3 291.414 3.009 20 30 CGEDHN C=CCN(C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000494704481 375491218 /nfs/dbraw/zinc/49/12/18/375491218.db2.gz UVSXCOBYXDHLCI-HNNXBMFYSA-N 0 3 294.398 3.273 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000335862475 375492614 /nfs/dbraw/zinc/49/26/14/375492614.db2.gz JIZVJJKKPSUKEX-HZMBPMFUSA-N 0 3 278.302 3.178 20 30 CGEDHN CC#CCCNCc1c(Cl)cccc1N1CCCC1 ZINC000499219234 375630238 /nfs/dbraw/zinc/63/02/38/375630238.db2.gz ZUVDFQKRIVJHDP-UHFFFAOYSA-N 0 3 276.811 3.443 20 30 CGEDHN CC(C)C[C@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191411701 375624234 /nfs/dbraw/zinc/62/42/34/375624234.db2.gz DGSUOYLEJOIIKC-CQSZACIVSA-N 0 3 259.397 3.155 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2ccccc2Cl)C[C@H]1C ZINC000498907128 375629016 /nfs/dbraw/zinc/62/90/16/375629016.db2.gz ZRGOFOKRSZCOOV-HUUCEWRRSA-N 0 3 290.838 3.106 20 30 CGEDHN CCCN(CC1(C#N)CC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502918634 375648023 /nfs/dbraw/zinc/64/80/23/375648023.db2.gz JDNGIWPKJSEWCA-HNNXBMFYSA-N 0 3 299.418 3.419 20 30 CGEDHN C[C@H]1CCc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000191509786 375637127 /nfs/dbraw/zinc/63/71/27/375637127.db2.gz FFNGKFFTFBXTGF-UGSOOPFHSA-N 0 3 279.387 3.310 20 30 CGEDHN CC(C)(C)CCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000506850791 375666585 /nfs/dbraw/zinc/66/65/85/375666585.db2.gz LGOAYNXTJZLDTB-UHFFFAOYSA-N 0 3 289.398 3.256 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000336166258 375742646 /nfs/dbraw/zinc/74/26/46/375742646.db2.gz SGHYZSYDWVQTLF-KBXCAEBGSA-N 0 3 282.387 3.043 20 30 CGEDHN N#Cc1csc(CNCc2ccc3ncccc3c2)c1 ZINC000192977753 375809956 /nfs/dbraw/zinc/80/99/56/375809956.db2.gz IPWZZOGDHHTREW-UHFFFAOYSA-N 0 3 279.368 3.458 20 30 CGEDHN C=CCCOCCNCc1cnc(-c2ccco2)s1 ZINC000193185138 375837536 /nfs/dbraw/zinc/83/75/36/375837536.db2.gz GKHCMZQZTVKXPY-UHFFFAOYSA-N 0 3 278.377 3.085 20 30 CGEDHN C=CCOCCN1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727226 375909056 /nfs/dbraw/zinc/90/90/56/375909056.db2.gz FVHXXZQVRPQZAT-SFHVURJKSA-N 0 3 287.403 3.049 20 30 CGEDHN C=C(C)CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532378903 375950648 /nfs/dbraw/zinc/95/06/48/375950648.db2.gz LZPQNHWDNZHIFI-CYBMUJFWSA-N 0 3 253.386 3.006 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cscn1)C(C)C ZINC000535779655 376057402 /nfs/dbraw/zinc/05/74/02/376057402.db2.gz OWRDIDRHZNUKKZ-ZBFHGGJFSA-N 0 3 293.480 3.492 20 30 CGEDHN C[C@@H](N[C@@H](C)Cc1ccncc1)c1ccc(C#N)cc1F ZINC000337313883 376211055 /nfs/dbraw/zinc/21/10/55/376211055.db2.gz HGQZYUQEDIKGKT-QWHCGFSZSA-N 0 3 283.350 3.374 20 30 CGEDHN C=CCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000337269560 376180376 /nfs/dbraw/zinc/18/03/76/376180376.db2.gz LTFGIVDKWHQGLE-UHFFFAOYSA-N 0 3 264.800 3.034 20 30 CGEDHN C=CCSCCNCc1ccc(OC(F)F)cc1 ZINC000222061703 376228199 /nfs/dbraw/zinc/22/81/99/376228199.db2.gz YEPHIJRBDWCUTC-UHFFFAOYSA-N 0 3 273.348 3.297 20 30 CGEDHN C=CCN(CCOc1cccc(Cl)c1)C1CC1 ZINC000538955676 376281832 /nfs/dbraw/zinc/28/18/32/376281832.db2.gz VILANAKZCFWKIN-UHFFFAOYSA-N 0 3 251.757 3.369 20 30 CGEDHN CCC[C@@H](C)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539408938 376310259 /nfs/dbraw/zinc/31/02/59/376310259.db2.gz QFSRLWDJTCXCHR-MRXNPFEDSA-N 0 3 285.435 3.112 20 30 CGEDHN CC(C)SCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000338288804 376315772 /nfs/dbraw/zinc/31/57/72/376315772.db2.gz HLIJEQTZHHNAMN-NSHDSACASA-N 0 3 266.385 3.490 20 30 CGEDHN CC(C)(C#N)CCNC1(c2ccccc2)CCOCC1 ZINC000539567132 376318858 /nfs/dbraw/zinc/31/88/58/376318858.db2.gz IPDWDGAUWKRSRY-UHFFFAOYSA-N 0 3 272.392 3.222 20 30 CGEDHN COc1cc(CN2CCSC(C)(C)CC2)ccc1C#N ZINC000231046510 376554380 /nfs/dbraw/zinc/55/43/80/376554380.db2.gz CVLFRVHPQKVCLM-UHFFFAOYSA-N 0 3 290.432 3.284 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)CCc1ccccc1 ZINC000543479493 376649043 /nfs/dbraw/zinc/64/90/43/376649043.db2.gz DSOGZSDRMFAJHA-SFHVURJKSA-N 0 3 299.414 3.304 20 30 CGEDHN CC[C@@H](C)CN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537096 376845525 /nfs/dbraw/zinc/84/55/25/376845525.db2.gz XYAZHMONWDIYGW-PBHICJAKSA-N 0 3 299.418 3.032 20 30 CGEDHN C=CCC[C@H](NC[C@H](CO)C(C)C)c1ccco1 ZINC000554373391 376849995 /nfs/dbraw/zinc/84/99/95/376849995.db2.gz HBWIWIAUGRWDNJ-KGLIPLIRSA-N 0 3 251.370 3.141 20 30 CGEDHN C=CCCCCCN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245587427 376862374 /nfs/dbraw/zinc/86/23/74/376862374.db2.gz FGJIVVFEHAVXRB-LSDHHAIUSA-N 0 3 287.469 3.020 20 30 CGEDHN C[C@@H](NCc1ccc2c[nH]nc2c1)c1ccc(C#N)cc1 ZINC000340173205 376935789 /nfs/dbraw/zinc/93/57/89/376935789.db2.gz PPDXVNMOBRWJLR-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN CCCC[C@H]1CCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000558244256 376989162 /nfs/dbraw/zinc/98/91/62/376989162.db2.gz SIWNCGSEOUVLQR-HOCLYGCPSA-N 0 3 257.381 3.402 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248625309 377369893 /nfs/dbraw/zinc/36/98/93/377369893.db2.gz NTOODXMYYXNTDV-UAGQMJEPSA-N 0 3 286.419 3.150 20 30 CGEDHN C=CCCNCc1ccc(OC)c(OC)c1Cl ZINC000161723362 542161290 /nfs/dbraw/zinc/16/12/90/542161290.db2.gz GKTXAPCJVOXUHY-UHFFFAOYSA-N 0 3 255.745 3.023 20 30 CGEDHN C=CCCCCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000568951232 377525201 /nfs/dbraw/zinc/52/52/01/377525201.db2.gz HVIHWZKEEWBWLY-SFHVURJKSA-N 0 3 272.436 3.201 20 30 CGEDHN CC[C@@H]1CN(C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000569788626 377528766 /nfs/dbraw/zinc/52/87/66/377528766.db2.gz MSRYGFHOXFWUKN-MRXNPFEDSA-N 0 3 285.435 3.014 20 30 CGEDHN C[C@@H](NCCOCC1CCCC1)c1ccc(C#N)cc1 ZINC000313249516 249090125 /nfs/dbraw/zinc/09/01/25/249090125.db2.gz AVUUXFWHAUOPGC-CQSZACIVSA-N 0 3 272.392 3.416 20 30 CGEDHN C[C@@H](CCc1n[nH]c2ccccc21)NCC1(C#N)CCC1 ZINC000570187983 377534706 /nfs/dbraw/zinc/53/47/06/377534706.db2.gz LVBGJQFGEDTIHB-ZDUSSCGKSA-N 0 3 282.391 3.167 20 30 CGEDHN CCN(CC)[C@@H](CNc1cccc(C#N)n1)c1ccco1 ZINC000265562928 190190323 /nfs/dbraw/zinc/19/03/23/190190323.db2.gz SRSHSCILYBILCI-AWEZNQCLSA-N 0 3 284.363 3.041 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1c[nH]nc1C)C(C)C ZINC000180091478 542206322 /nfs/dbraw/zinc/20/63/22/542206322.db2.gz HDJKXIVPIJOPPX-WMLDXEAASA-N 0 3 290.455 3.067 20 30 CGEDHN Cc1ccc(C[C@@H](C)NC[C@@H](C#N)CCC#N)c(C)c1 ZINC000574151498 377625855 /nfs/dbraw/zinc/62/58/55/377625855.db2.gz NPZUBDMZSKYVGV-HZPDHXFCSA-N 0 3 269.392 3.268 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1cccs1)C1CC1 ZINC000342475235 377650236 /nfs/dbraw/zinc/65/02/36/377650236.db2.gz AOMHUJOVZLZZST-MRXNPFEDSA-N 0 3 292.448 3.213 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCCOC1 ZINC000342616528 377692415 /nfs/dbraw/zinc/69/24/15/377692415.db2.gz NBKZVOIIQLUYDU-CQSZACIVSA-N 0 3 263.356 3.240 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](OCCCc3ccccc3)C2)C1 ZINC000575022536 377739049 /nfs/dbraw/zinc/73/90/49/377739049.db2.gz HERTZSWNLLDUCZ-QYZOEREBSA-N 0 3 298.430 3.402 20 30 CGEDHN C=CCCN(C)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000342718038 377753165 /nfs/dbraw/zinc/75/31/65/377753165.db2.gz HGXKGQZOUNQYRD-CQSZACIVSA-N 0 3 292.398 3.243 20 30 CGEDHN Cc1cc(C)c(C#N)c(NCCc2ccc3cn[nH]c3c2)n1 ZINC000343048503 377888441 /nfs/dbraw/zinc/88/84/41/377888441.db2.gz CPXKBZJAJMWUDR-UHFFFAOYSA-N 0 3 291.358 3.101 20 30 CGEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)c1ccsc1 ZINC000343260949 377941993 /nfs/dbraw/zinc/94/19/93/377941993.db2.gz RMAGSOVYDMXHBT-AWEZNQCLSA-N 0 3 291.445 3.074 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N1CCCC[C@H]1C ZINC000343281587 377946134 /nfs/dbraw/zinc/94/61/34/377946134.db2.gz FEILWQIEXRLXNR-KGLIPLIRSA-N 0 3 289.398 3.050 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1F)N1CCCC[C@H]1C ZINC000343281589 377946566 /nfs/dbraw/zinc/94/65/66/377946566.db2.gz FEILWQIEXRLXNR-ZIAGYGMSSA-N 0 3 289.398 3.050 20 30 CGEDHN N#CCCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264022159 377953572 /nfs/dbraw/zinc/95/35/72/377953572.db2.gz IBKAQASLYZXGOM-UHFFFAOYSA-N 0 3 299.418 3.096 20 30 CGEDHN C=CCCN(C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000343460686 377987221 /nfs/dbraw/zinc/98/72/21/377987221.db2.gz FROIPRBASVHSOE-GFCCVEGCSA-N 0 3 261.365 3.027 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000343493577 377995391 /nfs/dbraw/zinc/99/53/91/377995391.db2.gz CYFHTHMLDJEMKR-GXTWGEPZSA-N 0 3 259.349 3.329 20 30 CGEDHN CCCN(CC)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343646253 378052212 /nfs/dbraw/zinc/05/22/12/378052212.db2.gz KYNKCRRYUMKILV-ISXOHVOVSA-N 0 3 293.455 3.038 20 30 CGEDHN C[C@H]1CC[C@H](N(CC#Cc2ccccc2Cl)CCO)C1 ZINC000577903898 378022777 /nfs/dbraw/zinc/02/27/77/378022777.db2.gz QKSSNYMEZAOKRD-HOCLYGCPSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000343928387 378135524 /nfs/dbraw/zinc/13/55/24/378135524.db2.gz BMNRYWYKPJAJOF-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(CNCc1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000343789195 378093382 /nfs/dbraw/zinc/09/33/82/378093382.db2.gz RZHKQIMTUIGRIM-HXUWFJFHSA-N 0 3 285.412 3.227 20 30 CGEDHN C=C(C)CN1CCC(Nc2nccc3cc(F)ccc32)CC1 ZINC000578743374 378097077 /nfs/dbraw/zinc/09/70/77/378097077.db2.gz BFJMYNKTPDZKIB-UHFFFAOYSA-N 0 3 299.393 3.248 20 30 CGEDHN C=CCCCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000579977388 378214010 /nfs/dbraw/zinc/21/40/10/378214010.db2.gz CPQBAMULUBETJQ-INIZCTEOSA-N 0 3 288.370 3.369 20 30 CGEDHN CC1(C)CCCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000580080538 378222137 /nfs/dbraw/zinc/22/21/37/378222137.db2.gz HFNXUSGABITDDR-UHFFFAOYSA-N 0 3 287.363 3.479 20 30 CGEDHN C#CC[C@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000270249550 378326941 /nfs/dbraw/zinc/32/69/41/378326941.db2.gz UFHNKTMXEDPVFK-KRWDZBQOSA-N 0 3 293.366 3.312 20 30 CGEDHN Cn1cc([C@@H](NCCC(C)(C)C#N)C(C)(C)C)cn1 ZINC000345946698 378416849 /nfs/dbraw/zinc/41/68/49/378416849.db2.gz GDBVIFLRJAAJKA-CYBMUJFWSA-N 0 3 262.401 3.037 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000345790874 378370089 /nfs/dbraw/zinc/37/00/89/378370089.db2.gz HAKITIJJPIDTTL-QWRGUYRKSA-N 0 3 285.372 3.147 20 30 CGEDHN C#CCCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000271027209 378432323 /nfs/dbraw/zinc/43/23/23/378432323.db2.gz KKHAJOSHRDAMLV-HNNXBMFYSA-N 0 3 273.351 3.134 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@H](CC)N(CC)CC)c1 ZINC000345997942 378434134 /nfs/dbraw/zinc/43/41/34/378434134.db2.gz HFXXUQOZKYSXEN-INIZCTEOSA-N 0 3 290.407 3.310 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccc(C#N)c(F)c1 ZINC000271927630 378519236 /nfs/dbraw/zinc/51/92/36/378519236.db2.gz FLNCLJXCSIBXAD-MKBNYLNASA-N 0 3 276.355 3.306 20 30 CGEDHN C#CCOc1ccc(CNCc2sc(C)nc2C)cc1 ZINC000266123280 190232369 /nfs/dbraw/zinc/23/23/69/190232369.db2.gz ARNXGTWDMQHDMV-UHFFFAOYSA-N 0 3 286.400 3.062 20 30 CGEDHN C[C@H](NCCCNc1ccccn1)c1ccc(C#N)c(F)c1 ZINC000271952630 378529028 /nfs/dbraw/zinc/52/90/28/378529028.db2.gz OWTWWNIOQDBACP-ZDUSSCGKSA-N 0 3 298.365 3.245 20 30 CGEDHN C=CCOCCN[C@@H](CC)c1ccc(F)cc1F ZINC000272455346 378641674 /nfs/dbraw/zinc/64/16/74/378641674.db2.gz NFQIQPRAZAHLLJ-AWEZNQCLSA-N 0 3 255.308 3.208 20 30 CGEDHN C=CCOCCCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000348044064 378764498 /nfs/dbraw/zinc/76/44/98/378764498.db2.gz YPVJWCQRHDOATF-VBKZILBWSA-N 0 3 295.448 3.010 20 30 CGEDHN C=CCOCCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000348048247 378765807 /nfs/dbraw/zinc/76/58/07/378765807.db2.gz KUCWCFXWUUWNIZ-UHFFFAOYSA-N 0 3 297.402 3.245 20 30 CGEDHN C[C@H](NC[C@H]1CCCSC1)c1ccc(C#N)cc1F ZINC000348216646 378843843 /nfs/dbraw/zinc/84/38/43/378843843.db2.gz PEKZQCGLJZITQF-WCQYABFASA-N 0 3 278.396 3.491 20 30 CGEDHN C=CC[C@H](C)NCc1cc(OC)c(O)cc1Cl ZINC000638611404 378852557 /nfs/dbraw/zinc/85/25/57/378852557.db2.gz UMSMKBCSHYZJSJ-VIFPVBQESA-N 0 3 255.745 3.108 20 30 CGEDHN C=CC[C@@H]1N(Cc2c(C)cnn2C)CCCC1(C)C ZINC000348360840 378927640 /nfs/dbraw/zinc/92/76/40/378927640.db2.gz AZKSQEJXALPDMF-HNNXBMFYSA-N 0 3 261.413 3.295 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC ZINC000348469954 378961727 /nfs/dbraw/zinc/96/17/27/378961727.db2.gz PGDDVCPWEFHSHF-ZBFHGGJFSA-N 0 3 290.432 3.331 20 30 CGEDHN Cn1cc(CN2CCC[C@@H]2Cc2ccc(F)cc2)cc1C#N ZINC000373810638 379335919 /nfs/dbraw/zinc/33/59/19/379335919.db2.gz CVVGKSIHMWVYNF-QGZVFWFLSA-N 0 3 297.377 3.243 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H]1CCO[C@@H]1C ZINC000639435025 379382949 /nfs/dbraw/zinc/38/29/49/379382949.db2.gz MHGPIFAKLHRKPP-CHWSQXEVSA-N 0 3 251.395 3.161 20 30 CGEDHN N#Cc1cccc(CN2CCC(Cc3cccnc3)CC2)c1 ZINC000374479161 379446237 /nfs/dbraw/zinc/44/62/37/379446237.db2.gz FWQUUTXOYBREDP-UHFFFAOYSA-N 0 3 291.398 3.408 20 30 CGEDHN CC(C)Oc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349820399 379401708 /nfs/dbraw/zinc/40/17/08/379401708.db2.gz GDVYROCMALFSPM-DZGCQCFKSA-N 0 3 258.365 3.256 20 30 CGEDHN CC(C)Oc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000349828741 379407097 /nfs/dbraw/zinc/40/70/97/379407097.db2.gz MUAFNDZZNXHWST-GJZGRUSLSA-N 0 3 258.365 3.256 20 30 CGEDHN CO[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000374682412 379472967 /nfs/dbraw/zinc/47/29/67/379472967.db2.gz ZLLOCZCENPHLEV-MRXNPFEDSA-N 0 3 277.795 3.192 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000351583669 379729868 /nfs/dbraw/zinc/72/98/68/379729868.db2.gz VAYHEHAEWHWMLG-CYBMUJFWSA-N 0 3 289.350 3.421 20 30 CGEDHN C=CCC[C@@H](O)CN(Cc1ccccc1F)C(C)C ZINC000351638606 379733522 /nfs/dbraw/zinc/73/35/22/379733522.db2.gz MJJGYQVYEGNJPY-OAHLLOKOSA-N 0 3 265.372 3.363 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000280691464 379763479 /nfs/dbraw/zinc/76/34/79/379763479.db2.gz BFTBWEQSFXNIND-VBQJREDUSA-N 0 3 275.392 3.332 20 30 CGEDHN CCN(CC)[C@@H](CNc1ccc(C#N)nc1)c1ccco1 ZINC000267387521 190326442 /nfs/dbraw/zinc/32/64/42/190326442.db2.gz MTIDRSWQHPRKJR-HNNXBMFYSA-N 0 3 284.363 3.041 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000378398193 379818303 /nfs/dbraw/zinc/81/83/03/379818303.db2.gz QDVWOTXXGIXGSL-HZPDHXFCSA-N 0 3 284.403 3.197 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@@H](C)c1ccccc1 ZINC000352809740 379973684 /nfs/dbraw/zinc/97/36/84/379973684.db2.gz JCWPJWVZXCMOHP-NEPJUHHUSA-N 0 3 271.389 3.297 20 30 CGEDHN CO[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000267813529 190356491 /nfs/dbraw/zinc/35/64/91/190356491.db2.gz NJEUQYAVMLZWLG-SFHVURJKSA-N 0 3 292.382 3.446 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000352917383 380038017 /nfs/dbraw/zinc/03/80/17/380038017.db2.gz WYLMOOVHUDBVPX-KFWWJZLASA-N 0 3 280.412 3.170 20 30 CGEDHN CCCC[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000347914772 218397429 /nfs/dbraw/zinc/39/74/29/218397429.db2.gz OXRIQWGEFVJFBY-IRXDYDNUSA-N 0 3 299.418 3.033 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ccccc1F)CC2 ZINC000353250381 380188833 /nfs/dbraw/zinc/18/88/33/380188833.db2.gz FUHNOIXUQRCMQL-QGZVFWFLSA-N 0 3 296.345 3.353 20 30 CGEDHN Cc1ccc([C@H](C)NCC(C)(C)CC#N)cc1[N+](=O)[O-] ZINC000414159319 380193675 /nfs/dbraw/zinc/19/36/75/380193675.db2.gz BCECACCAFYNQGZ-LBPRGKRZSA-N 0 3 275.352 3.494 20 30 CGEDHN COCc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353424190 380206554 /nfs/dbraw/zinc/20/65/54/380206554.db2.gz GKXZGWDRSNWXIH-LJQANCHMSA-N 0 3 292.382 3.482 20 30 CGEDHN C=CCCCC[C@H](C)NCc1ccccc1S(C)(=O)=O ZINC000414237179 380203785 /nfs/dbraw/zinc/20/37/85/380203785.db2.gz IYFMDAPQXDMVOB-AWEZNQCLSA-N 0 3 295.448 3.315 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000353998922 380272446 /nfs/dbraw/zinc/27/24/46/380272446.db2.gz YYFBDMNECYNGSF-GOSISDBHSA-N 0 3 262.356 3.375 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2n[nH]cc2c1 ZINC000353978425 380261477 /nfs/dbraw/zinc/26/14/77/380261477.db2.gz LAULUAGYXHAUPA-YWPYICTPSA-N 0 3 268.364 3.296 20 30 CGEDHN COc1cc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353596012 380214755 /nfs/dbraw/zinc/21/47/55/380214755.db2.gz LXFCCKHJADRBSD-SJCJKPOMSA-N 0 3 293.370 3.300 20 30 CGEDHN Cn1cc(CN[C@@H](CCCC#N)c2ccccc2)cc1C#N ZINC000353916238 380232194 /nfs/dbraw/zinc/23/21/94/380232194.db2.gz PKGLBKQJFHDUOY-SFHVURJKSA-N 0 3 292.386 3.422 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](CC)[C@@H](O)C(C)C ZINC000414526693 380300183 /nfs/dbraw/zinc/30/01/83/380300183.db2.gz LQXFNAIAFQLFCM-WBVHZDCISA-N 0 3 277.408 3.137 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cn(C(C)C)nn1 ZINC000414539866 380309229 /nfs/dbraw/zinc/30/92/29/380309229.db2.gz SWUVPDHQLAQCSM-INIZCTEOSA-N 0 3 284.407 3.136 20 30 CGEDHN C=CCOCCN[C@H](Cc1ccncc1)c1cccs1 ZINC000643885785 380389813 /nfs/dbraw/zinc/38/98/13/380389813.db2.gz IFGVICQBUYWQCK-OAHLLOKOSA-N 0 3 288.416 3.219 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)CC(C)C ZINC000417364397 380610076 /nfs/dbraw/zinc/61/00/76/380610076.db2.gz LVOOSDKXVNQNMQ-OCCSQVGLSA-N 0 3 278.371 3.409 20 30 CGEDHN C[C@H]1OCC[C@]1(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356418995 380799175 /nfs/dbraw/zinc/79/91/75/380799175.db2.gz GTOQYUSZDLZQPB-YGRLFVJLSA-N 0 3 298.308 3.234 20 30 CGEDHN CCN(CCOc1ccccc1C)Cc1cc(C#N)n(C)c1 ZINC000421379076 380919706 /nfs/dbraw/zinc/91/97/06/380919706.db2.gz INFFNTWRQNRYJX-UHFFFAOYSA-N 0 3 297.402 3.106 20 30 CGEDHN N#Cc1ccc2ncc(CN3CC[C@@H](C4CCCC4)C3)n2c1 ZINC000421395766 380945671 /nfs/dbraw/zinc/94/56/71/380945671.db2.gz VJHNFEPSHKIJBT-MRXNPFEDSA-N 0 3 294.402 3.218 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357040619 381007317 /nfs/dbraw/zinc/00/73/17/381007317.db2.gz OFVNUJOBBMUMJW-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cccnc2C#N)C1 ZINC000357172692 381051940 /nfs/dbraw/zinc/05/19/40/381051940.db2.gz NBZPJGCMXCRRMS-HOCLYGCPSA-N 0 3 292.386 3.201 20 30 CGEDHN N#Cc1ncccc1NCCN1CCC2(CCCCC2)CC1 ZINC000357686813 381251543 /nfs/dbraw/zinc/25/15/43/381251543.db2.gz FOZISZPDLFWAAJ-UHFFFAOYSA-N 0 3 298.434 3.411 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000358284846 381300527 /nfs/dbraw/zinc/30/05/27/381300527.db2.gz FQISNMIRTISGLC-MNOVXSKESA-N 0 3 276.771 3.146 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000359952028 381384619 /nfs/dbraw/zinc/38/46/19/381384619.db2.gz HRSDSVZSKHXJSI-MFKMUULPSA-N 0 3 262.328 3.189 20 30 CGEDHN C=CCN(CCC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000360061430 381431148 /nfs/dbraw/zinc/43/11/48/381431148.db2.gz BKNMGIIKPFNFJV-UHFFFAOYSA-N 0 3 260.337 3.383 20 30 CGEDHN COCCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CC[C@@H](C)C1 ZINC000362166025 381894395 /nfs/dbraw/zinc/89/43/95/381894395.db2.gz WZINKWJPUAVANM-CZUORRHYSA-N 0 3 290.382 3.334 20 30 CGEDHN C#CCCCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000192053712 533013528 /nfs/dbraw/zinc/01/35/28/533013528.db2.gz CHVMUNYEFIUVNE-OAHLLOKOSA-N 0 3 286.419 3.036 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H](F)C2)c(F)c1 ZINC000335374697 208308113 /nfs/dbraw/zinc/30/81/13/208308113.db2.gz ZJNZVYIPUVQLKC-OLZOCXBDSA-N 0 3 250.292 3.068 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2CCCOC2)c1F ZINC000335381900 208327178 /nfs/dbraw/zinc/32/71/78/208327178.db2.gz WUUNPUHDOMWAEQ-JKSUJKDBSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000352244092 533115912 /nfs/dbraw/zinc/11/59/12/533115912.db2.gz MLVMZDRELIZTTF-NHYWBVRUSA-N 0 3 299.761 3.100 20 30 CGEDHN CC(C#N)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000354969051 533113804 /nfs/dbraw/zinc/11/38/04/533113804.db2.gz CJDLMOPXXQOBPF-QWHCGFSZSA-N 0 3 270.376 3.117 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000347067548 533116684 /nfs/dbraw/zinc/11/66/84/533116684.db2.gz KYEDNQDPRHAZQN-TVQRCGJNSA-N 0 3 262.740 3.067 20 30 CGEDHN C[C@@H]1[C@H](Nc2ncccc2C#N)CCN1Cc1ccccc1 ZINC000288289387 197044552 /nfs/dbraw/zinc/04/45/52/197044552.db2.gz RUKMAJYNBUNOPI-RHSMWYFYSA-N 0 3 292.386 3.028 20 30 CGEDHN COCCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358578696 533210614 /nfs/dbraw/zinc/21/06/14/533210614.db2.gz WFQRCEDPHHTZHC-LBPRGKRZSA-N 0 3 276.355 3.165 20 30 CGEDHN C=CCOc1ccccc1CNCCSCC ZINC000310439960 262157857 /nfs/dbraw/zinc/15/78/57/262157857.db2.gz VYVSPCHSKIVBNX-UHFFFAOYSA-N 0 3 251.395 3.094 20 30 CGEDHN COc1cc(CNc2cc(C)cc(C)n2)ccc1C#N ZINC000281608066 195307269 /nfs/dbraw/zinc/30/72/69/195307269.db2.gz GIRFKJRZMSLNFI-UHFFFAOYSA-N 0 3 267.332 3.191 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000335986777 533237342 /nfs/dbraw/zinc/23/73/42/533237342.db2.gz NYTMLFIBHGNNNB-WDEREUQCSA-N 0 3 270.307 3.316 20 30 CGEDHN C=CCOCCNCc1ccc(F)c(C(F)(F)F)c1 ZINC000388574017 542605639 /nfs/dbraw/zinc/60/56/39/542605639.db2.gz UOAQRKPNQZPUHB-UHFFFAOYSA-N 0 3 277.261 3.137 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(Br)cc1 ZINC000381312453 542596717 /nfs/dbraw/zinc/59/67/17/542596717.db2.gz LZCCZLWYSYPUFM-MFKMUULPSA-N 0 3 284.197 3.037 20 30 CGEDHN C=CCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192069898 130363739 /nfs/dbraw/zinc/36/37/39/130363739.db2.gz HTFYRRLQOCEEGB-STQMWFEESA-N 0 3 255.720 3.085 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OC)C[C@H]2C)c1 ZINC000282234596 392285775 /nfs/dbraw/zinc/28/57/75/392285775.db2.gz ISSVINZBRXKTQX-GDBMZVCRSA-N 0 3 275.392 3.251 20 30 CGEDHN Cc1nsc(NC[C@H](c2ccccc2)N(C)C)c1C#N ZINC000285817356 392333532 /nfs/dbraw/zinc/33/35/32/392333532.db2.gz ZCMVANKKYROGQH-CQSZACIVSA-N 0 3 286.404 3.038 20 30 CGEDHN Cc1noc(C)c1C(C)(C)NCCOc1ccc(C#N)cc1 ZINC000285869948 392342042 /nfs/dbraw/zinc/34/20/42/392342042.db2.gz YXCIVZSTBRCSQC-UHFFFAOYSA-N 0 3 299.374 3.067 20 30 CGEDHN C[C@@H](c1cccc(O)c1)N(C)CCOc1ccccc1C#N ZINC000109782266 392375730 /nfs/dbraw/zinc/37/57/30/392375730.db2.gz SWPBTFMFAATWTI-AWEZNQCLSA-N 0 3 296.370 3.336 20 30 CGEDHN C=CCSCCN[C@H]1CCc2c1ccc(OC)c2F ZINC000289089988 392413325 /nfs/dbraw/zinc/41/33/25/392413325.db2.gz BLPBTCKTVQJEIZ-ZDUSSCGKSA-N 0 3 281.396 3.330 20 30 CGEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccccc1CC)C(C)C ZINC000289650306 392428103 /nfs/dbraw/zinc/42/81/03/392428103.db2.gz XZANQXLSONYSOF-HOCLYGCPSA-N 0 3 286.419 3.214 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000289816605 392432941 /nfs/dbraw/zinc/43/29/41/392432941.db2.gz NWOOGOYWGFEZNV-IBGZPJMESA-N 0 3 292.382 3.431 20 30 CGEDHN C=C[C@H](CO)N[C@@H]1CCCc2c3ccccc3sc21 ZINC000289940999 392436375 /nfs/dbraw/zinc/43/63/75/392436375.db2.gz VXUQYLBHHSDZLU-BXUZGUMPSA-N 0 3 273.401 3.415 20 30 CGEDHN CC#CCCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000155225480 392540065 /nfs/dbraw/zinc/54/00/65/392540065.db2.gz ZNVDTPIWNJDAJP-GOSISDBHSA-N 0 3 287.403 3.090 20 30 CGEDHN COC[C@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000372108733 392584368 /nfs/dbraw/zinc/58/43/68/392584368.db2.gz ODVSLLZYJKGUTR-INIZCTEOSA-N 0 3 291.822 3.440 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000374410277 392677456 /nfs/dbraw/zinc/67/74/56/392677456.db2.gz GTALLMVMSOSWQV-HZPDHXFCSA-N 0 3 289.806 3.050 20 30 CGEDHN CC(C)N(CC(=O)NC1(C#N)CCC1)C1CCCC1 ZINC000329253984 392678788 /nfs/dbraw/zinc/67/87/88/392678788.db2.gz ZOTGGVRMWZWLGL-UHFFFAOYSA-N 0 3 263.385 3.042 20 30 CGEDHN N#CCCCN1CC[C@@H](CSc2ccccc2)C1 ZINC000174142335 392637044 /nfs/dbraw/zinc/63/70/44/392637044.db2.gz JWBJYGBHZRCGQJ-CQSZACIVSA-N 0 3 260.406 3.404 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191943745 392836662 /nfs/dbraw/zinc/83/66/62/392836662.db2.gz MOUNYEZSVMXWIT-MOPGFXCFSA-N 0 3 292.382 3.487 20 30 CGEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CCC=CO3)CC2)cc1 ZINC000375721448 392810774 /nfs/dbraw/zinc/81/07/74/392810774.db2.gz VPBVADGHPIXXDR-SFHVURJKSA-N 0 3 280.371 3.340 20 30 CGEDHN COc1cc(CN[C@H](c2cccnc2)C2CC2)ccc1C#N ZINC000519742722 392888821 /nfs/dbraw/zinc/88/88/21/392888821.db2.gz ZEJPJNRAKRXSFG-SFHVURJKSA-N 0 3 293.370 3.203 20 30 CGEDHN C=CCOCCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000338925156 392936771 /nfs/dbraw/zinc/93/67/71/392936771.db2.gz YMIPBYMFQXAWIK-INIZCTEOSA-N 0 3 263.356 3.035 20 30 CGEDHN CN(C)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000338797184 392929025 /nfs/dbraw/zinc/92/90/25/392929025.db2.gz XNPARIAFUVSNGF-KCXAZCMYSA-N 0 3 291.826 3.225 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OC)cc1 ZINC000339064206 392943901 /nfs/dbraw/zinc/94/39/01/392943901.db2.gz SVUAARWOJGUNNZ-INWMFGNUSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000339006061 392938849 /nfs/dbraw/zinc/93/88/49/392938849.db2.gz QHWVBBCCJNTKEZ-UHFFFAOYSA-N 0 3 290.451 3.230 20 30 CGEDHN N#CCCOCCN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000339017579 392941287 /nfs/dbraw/zinc/94/12/87/392941287.db2.gz PXQKRIWAAXNCGY-IBGZPJMESA-N 0 3 298.430 3.287 20 30 CGEDHN Cc1c2ccccc2oc1[C@@H](C)NCCOCCC#N ZINC000339086788 392948059 /nfs/dbraw/zinc/94/80/59/392948059.db2.gz YEICLBBQQZBGRW-CYBMUJFWSA-N 0 3 272.348 3.322 20 30 CGEDHN C=CCOCCN[C@H](CC)c1ccccc1OCC ZINC000339070400 392945846 /nfs/dbraw/zinc/94/58/46/392945846.db2.gz MQASGEZMNXKFDQ-OAHLLOKOSA-N 0 3 263.381 3.329 20 30 CGEDHN CCC[C@]1(COC)CCCN1Cc1cc(C#N)cs1 ZINC000195198965 392960640 /nfs/dbraw/zinc/96/06/40/392960640.db2.gz AQGWTDZVCIONBW-OAHLLOKOSA-N 0 3 278.421 3.401 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000404582257 392967726 /nfs/dbraw/zinc/96/77/26/392967726.db2.gz HFKHFLQODLFENV-HZPDHXFCSA-N 0 3 288.366 3.135 20 30 CGEDHN C=C(C)CN(CCC1(O)CCC1)Cc1ccccc1 ZINC000411660409 392984892 /nfs/dbraw/zinc/98/48/92/392984892.db2.gz SIIDAZCREOEARP-UHFFFAOYSA-N 0 3 259.393 3.370 20 30 CGEDHN C=CCN[C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412016369 392992455 /nfs/dbraw/zinc/99/24/55/392992455.db2.gz WMSZMNXBZXBCMQ-MRXNPFEDSA-N 0 3 259.393 3.446 20 30 CGEDHN CC(C)(C)OC(=O)CC[C@@H]1CCCN(CCCC#N)C1 ZINC000412071994 392994907 /nfs/dbraw/zinc/99/49/07/392994907.db2.gz PNHNMPOGXGRJHQ-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OC)c(Cl)c1 ZINC000412038903 392995548 /nfs/dbraw/zinc/99/55/48/392995548.db2.gz JQZONVDWDKBEAE-ZDUSSCGKSA-N 0 3 283.799 3.108 20 30 CGEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000533426374 392996406 /nfs/dbraw/zinc/99/64/06/392996406.db2.gz JFTIUAQBYIBYFC-YOEHRIQHSA-N 0 3 299.418 3.397 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC(C)(C)CCC#N ZINC000348636895 393127543 /nfs/dbraw/zinc/12/75/43/393127543.db2.gz RZSRMYPFZUFKLP-UHFFFAOYSA-N 0 3 290.407 3.480 20 30 CGEDHN CN(CCN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353425090 393221256 /nfs/dbraw/zinc/22/12/56/393221256.db2.gz IMSQVRNKADCTGH-LJQANCHMSA-N 0 3 291.398 3.272 20 30 CGEDHN C[C@@H](NCCN1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906985 393256131 /nfs/dbraw/zinc/25/61/31/393256131.db2.gz CLSVGNJBJFAFOH-ZIAGYGMSSA-N 0 3 289.398 3.080 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278863117 393327303 /nfs/dbraw/zinc/32/73/03/393327303.db2.gz WLMWPHJFNWTEIE-LRDDRELGSA-N 0 3 268.364 3.094 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)C1CCCCC1 ZINC000475047159 393369134 /nfs/dbraw/zinc/36/91/34/393369134.db2.gz KKMFQKTYKBLHIO-IBGZPJMESA-N 0 3 298.430 3.487 20 30 CGEDHN C=CCN(CCc1ccccc1)CCc1cncc(C)n1 ZINC000649498400 393456735 /nfs/dbraw/zinc/45/67/35/393456735.db2.gz JIPYRUISCVUQNB-UHFFFAOYSA-N 0 3 281.403 3.058 20 30 CGEDHN CN(CCN(C)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000429709556 393496292 /nfs/dbraw/zinc/49/62/92/393496292.db2.gz QKNVKQDXWLZEQI-UHFFFAOYSA-N 0 3 293.414 3.122 20 30 CGEDHN C[C@@H]1CC2(CCC2)CN1Cc1ccc(C#N)cc1F ZINC000433022906 393670596 /nfs/dbraw/zinc/67/05/96/393670596.db2.gz MLTIEOOJMBNNGX-GFCCVEGCSA-N 0 3 258.340 3.462 20 30 CGEDHN CCCOCc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442705809 393738788 /nfs/dbraw/zinc/73/87/88/393738788.db2.gz BSHDZMRZFCVEGA-RHSMWYFYSA-N 0 3 272.392 3.395 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)C[C@H](C)C1 ZINC000443662052 393770495 /nfs/dbraw/zinc/77/04/95/393770495.db2.gz ULZOXDRDJXRGCU-KBPBESRZSA-N 0 3 272.392 3.435 20 30 CGEDHN Cc1cc(CNC[C@@H](c2cccs2)N(C)C)ccc1C#N ZINC000443964358 393778426 /nfs/dbraw/zinc/77/84/26/393778426.db2.gz VKXGMBHNONYEPI-INIZCTEOSA-N 0 3 299.443 3.321 20 30 CGEDHN N#Cc1ccc(CNCCc2cc(F)c(F)c(F)c2)s1 ZINC000503914552 393909050 /nfs/dbraw/zinc/90/90/50/393909050.db2.gz XYQIECQLTOXERQ-UHFFFAOYSA-N 0 3 296.317 3.369 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(O[C@H](C)COC)cc1 ZINC000667472434 542872942 /nfs/dbraw/zinc/87/29/42/542872942.db2.gz HUSNHSQXJHGVQM-OAHLLOKOSA-N 0 3 275.392 3.274 20 30 CGEDHN Cc1ccc(CCN[C@H](C)c2ccc(C#N)cc2F)nc1 ZINC000453412129 394238278 /nfs/dbraw/zinc/23/82/78/394238278.db2.gz HLQIKHNIEANIJN-CYBMUJFWSA-N 0 3 283.350 3.294 20 30 CGEDHN C=CCN(Cc1cnn2c1CCC2)CC1CCCCC1 ZINC000667630595 542900279 /nfs/dbraw/zinc/90/02/79/542900279.db2.gz IQQUOLFRIDDRME-UHFFFAOYSA-N 0 3 273.424 3.398 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000668369853 543008029 /nfs/dbraw/zinc/00/80/29/543008029.db2.gz GSCFIFRIZVMUDH-GOSISDBHSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000668493026 543020561 /nfs/dbraw/zinc/02/05/61/543020561.db2.gz IXINXKILEHACPP-AWEZNQCLSA-N 0 3 256.393 3.358 20 30 CGEDHN C=CCC[C@H](NCCC(=O)N[C@@H](C)CC)c1ccco1 ZINC000286307940 397671440 /nfs/dbraw/zinc/67/14/40/397671440.db2.gz WZUKSANGPBEZOQ-KBPBESRZSA-N 0 3 278.396 3.181 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000649876484 397742398 /nfs/dbraw/zinc/74/23/98/397742398.db2.gz SRCMLLBIHCGCPM-CABCVRRESA-N 0 3 283.774 3.457 20 30 CGEDHN C=CCCCCCN(C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000675201194 543321194 /nfs/dbraw/zinc/32/11/94/543321194.db2.gz ZZYBMXUNFLTGAC-MRXNPFEDSA-N 0 3 295.471 3.249 20 30 CGEDHN Cc1cncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000676104220 543382790 /nfs/dbraw/zinc/38/27/90/543382790.db2.gz XWHSYLQZGDNHPI-HNNXBMFYSA-N 0 3 287.322 3.428 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000678739948 543552422 /nfs/dbraw/zinc/55/24/22/543552422.db2.gz ADPHAQGCQGGKCB-BBRMVZONSA-N 0 3 263.381 3.061 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(SCC)cc1 ZINC000678764040 543554297 /nfs/dbraw/zinc/55/42/97/543554297.db2.gz KXJNKTFXSABAEF-DOMZBBRYSA-N 0 3 265.422 3.386 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000678714891 543549854 /nfs/dbraw/zinc/54/98/54/543549854.db2.gz XHGFFHVPQFYVEI-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000678895966 543569632 /nfs/dbraw/zinc/56/96/32/543569632.db2.gz XBDBCNXRWOCLBO-FZKQIMNGSA-N 0 3 285.387 3.300 20 30 CGEDHN N#Cc1ccc(CNCCSc2ccccc2)cc1 ZINC000037855055 286887926 /nfs/dbraw/zinc/88/79/26/286887926.db2.gz LWKXKAVZGJLRTO-UHFFFAOYSA-N 0 3 268.385 3.440 20 30 CGEDHN CC[C@@H](N[C@@H]1COCC1(C)C)c1ccc(C#N)cc1 ZINC000453390795 286926363 /nfs/dbraw/zinc/92/63/63/286926363.db2.gz YMCKINZLECYBAD-HUUCEWRRSA-N 0 3 258.365 3.024 20 30 CGEDHN CCCN(CCC(=O)OC(C)C)Cc1ccc(C#N)cc1 ZINC000075626789 287026691 /nfs/dbraw/zinc/02/66/91/287026691.db2.gz XXYMVKXWHAQQGL-UHFFFAOYSA-N 0 3 288.391 3.112 20 30 CGEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000122796933 287212653 /nfs/dbraw/zinc/21/26/53/287212653.db2.gz NUZUMKUFYMULRN-MFKMUULPSA-N 0 3 275.783 3.249 20 30 CGEDHN N#Cc1cccnc1N1CCN(CC2CCCCCC2)CC1 ZINC000122962094 287214629 /nfs/dbraw/zinc/21/46/29/287214629.db2.gz OKAWACRFSCHWKZ-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)(CC)CC1 ZINC000337696889 262466657 /nfs/dbraw/zinc/46/66/57/262466657.db2.gz TYLOVDSOOYPDHT-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN COc1cccc([C@H](CNc2ccc(C#N)cc2)N(C)C)c1 ZINC000020261965 171120112 /nfs/dbraw/zinc/12/01/12/171120112.db2.gz XNNYZFYVOPYDIV-SFHVURJKSA-N 0 3 295.386 3.282 20 30 CGEDHN CC[C@@H]1CN(CCCOc2cccc(C#N)c2)CCS1 ZINC000127307633 287285470 /nfs/dbraw/zinc/28/54/70/287285470.db2.gz PPUUFHRQGABTHM-MRXNPFEDSA-N 0 3 290.432 3.155 20 30 CGEDHN C=CCOCCNCc1cc(Cl)c(OCC)c(OC)c1 ZINC000679486434 543640296 /nfs/dbraw/zinc/64/02/96/543640296.db2.gz VFSAEIQDFKGGRI-UHFFFAOYSA-N 0 3 299.798 3.040 20 30 CGEDHN C=CCOCCNCc1cnc(C2CCCC2)s1 ZINC000679487140 543640754 /nfs/dbraw/zinc/64/07/54/543640754.db2.gz XWOQUKGHGXLLKE-UHFFFAOYSA-N 0 3 266.410 3.093 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C)C[C@H]1C ZINC000130453992 287355851 /nfs/dbraw/zinc/35/58/51/287355851.db2.gz PCFWIJAAKSHXSM-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H]1CCC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000130654936 287360241 /nfs/dbraw/zinc/36/02/41/287360241.db2.gz YDMWAYNOMLHCCA-HIFRSBDPSA-N 0 3 282.391 3.216 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cnc3ccccc3c2)C1 ZINC000334989196 225387385 /nfs/dbraw/zinc/38/73/85/225387385.db2.gz PWIKLSKIZPBFQW-DOMZBBRYSA-N 0 3 251.333 3.017 20 30 CGEDHN CCC1(CC)[C@H](NCc2cc(C#N)cs2)C[C@H]1OC ZINC000131394856 287378223 /nfs/dbraw/zinc/37/82/23/287378223.db2.gz XDKPHMNSLZOYMT-ZIAGYGMSSA-N 0 3 278.421 3.303 20 30 CGEDHN C[C@H](CCC#N)N1CCC(OCC2CCCC2)CC1 ZINC000411335298 262689471 /nfs/dbraw/zinc/68/94/71/262689471.db2.gz QAKQUOKWEPZANZ-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000347116165 226031103 /nfs/dbraw/zinc/03/11/03/226031103.db2.gz RJFWFCWUKVTFSQ-CYBMUJFWSA-N 0 3 258.365 3.221 20 30 CGEDHN C=CCOCCN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000684557271 544013480 /nfs/dbraw/zinc/01/34/80/544013480.db2.gz QLOVXBYJDJWGOC-QGZVFWFLSA-N 0 3 297.402 3.042 20 30 CGEDHN CC(C#N)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000336503389 227076078 /nfs/dbraw/zinc/07/60/78/227076078.db2.gz OAVPASUWYUPXIV-QMMMGPOBSA-N 0 3 283.158 3.038 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000336534944 227099520 /nfs/dbraw/zinc/09/95/20/227099520.db2.gz ONVSOMIZSLFJIK-CYBMUJFWSA-N 0 3 276.339 3.225 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1CCNCc1nc(C#N)cs1 ZINC000352834495 227310894 /nfs/dbraw/zinc/31/08/94/227310894.db2.gz ISIYRAPUABVOEF-VXGBXAGGSA-N 0 3 263.410 3.321 20 30 CGEDHN C=CCCCCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000659330335 418976034 /nfs/dbraw/zinc/97/60/34/418976034.db2.gz QUXRCQTVBMJSTG-INIZCTEOSA-N 0 3 272.392 3.084 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654519898 418981488 /nfs/dbraw/zinc/98/14/88/418981488.db2.gz OPXFGIKULCLRNZ-JYJNAYRXSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)[C@@H](C)c2ccccc2)nn1 ZINC000653609033 419059275 /nfs/dbraw/zinc/05/92/75/419059275.db2.gz UKIIXMLQGBTNKG-HUUCEWRRSA-N 0 3 284.407 3.136 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)nn1 ZINC000653619764 419060630 /nfs/dbraw/zinc/06/06/30/419060630.db2.gz DJROSIZUTQZKKQ-DZGCQCFKSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCCn1cc(CN(CC)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000653632596 419062796 /nfs/dbraw/zinc/06/27/96/419062796.db2.gz ZYRSSMMHZDJIJA-GOEBONIOSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCN(C)Cc1cccc(F)c1OC(F)F ZINC000660398503 419137236 /nfs/dbraw/zinc/13/72/36/419137236.db2.gz GZISBBWPAIJLJG-UHFFFAOYSA-N 0 3 259.271 3.435 20 30 CGEDHN CCC#C[C@H](C)N1CCC2(CC1)OCCc1ccccc12 ZINC000656570607 419184399 /nfs/dbraw/zinc/18/43/99/419184399.db2.gz QQXVJGGAKWJTOP-INIZCTEOSA-N 0 3 283.415 3.352 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000661379408 419255209 /nfs/dbraw/zinc/25/52/09/419255209.db2.gz YASOYFNUZDHLRQ-CABCVRRESA-N 0 3 272.392 3.302 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000661378911 419256174 /nfs/dbraw/zinc/25/61/74/419256174.db2.gz OGTCVLRJJBDSBQ-HOTGVXAUSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000661387594 419257195 /nfs/dbraw/zinc/25/71/95/419257195.db2.gz YXTIZWDXMAJTEC-RHSMWYFYSA-N 0 3 284.403 3.228 20 30 CGEDHN C[C@H]1c2ccccc2C[C@H]1NCC#Cc1ccc(F)cc1 ZINC000661519092 419269612 /nfs/dbraw/zinc/26/96/12/419269612.db2.gz KMAZWAUZAXLTEL-IFXJQAMLSA-N 0 3 279.358 3.495 20 30 CGEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@H]2CC)nn1 ZINC000657478116 419288293 /nfs/dbraw/zinc/28/82/93/419288293.db2.gz FIAVETSXPHETSS-HUUCEWRRSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@H]2CC)nn1 ZINC000657478114 419288367 /nfs/dbraw/zinc/28/83/67/419288367.db2.gz FIAVETSXPHETSS-CABCVRRESA-N 0 3 276.428 3.160 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2cccc(CC)c2o1 ZINC000657482629 419289851 /nfs/dbraw/zinc/28/98/51/419289851.db2.gz YXKZJUUYJJQQTO-CVEARBPZSA-N 0 3 271.360 3.428 20 30 CGEDHN C=CCCn1cc(CNC[C@H]2CCCC(C)(C)C2)nn1 ZINC000657485222 419291264 /nfs/dbraw/zinc/29/12/64/419291264.db2.gz VVWUQLQERKJLBW-AWEZNQCLSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCN(CC(=O)N([C@@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000661756274 419294873 /nfs/dbraw/zinc/29/48/73/419294873.db2.gz IKVGLXUVGTXWJS-ZDUSSCGKSA-N 0 3 278.440 3.062 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(C(C)(C)C)nn1 ZINC000657529270 419299570 /nfs/dbraw/zinc/29/95/70/419299570.db2.gz AWADZFYSOMVBAQ-DZGCQCFKSA-N 0 3 276.428 3.258 20 30 CGEDHN C=CCC1(NCc2nc3ccccc3c(=O)[nH]2)CCCC1 ZINC000661866744 419309011 /nfs/dbraw/zinc/30/90/11/419309011.db2.gz VDLVHZFQKXEKNC-UHFFFAOYSA-N 0 3 283.375 3.314 20 30 CGEDHN C=CCCNCc1cccc(Br)c1OC ZINC000657582810 419309933 /nfs/dbraw/zinc/30/99/33/419309933.db2.gz HMYKNXOMLOETBP-UHFFFAOYSA-N 0 3 270.170 3.123 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)c(C)c1)CC(C)C ZINC000418091530 228027274 /nfs/dbraw/zinc/02/72/74/228027274.db2.gz GQALMYVPJANTJK-INIZCTEOSA-N 0 3 260.381 3.017 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nccc(OC)c2F)C1 ZINC000657674574 419326595 /nfs/dbraw/zinc/32/65/95/419326595.db2.gz RSVMWUVZMOFLCP-RYUDHWBXSA-N 0 3 264.344 3.064 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCc2ccccc21 ZINC000662078327 419333465 /nfs/dbraw/zinc/33/34/65/419333465.db2.gz ALUZZVAZVYAFFN-OIISXLGYSA-N 0 3 296.414 3.147 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1cncc(Br)c1 ZINC000657906436 419432215 /nfs/dbraw/zinc/43/22/15/419432215.db2.gz YBCPMAZXXPSUGT-IUCAKERBSA-N 0 3 255.159 3.069 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000658027423 419502889 /nfs/dbraw/zinc/50/28/89/419502889.db2.gz NATYSVRQJRZWGD-QWHCGFSZSA-N 0 3 262.401 3.153 20 30 CGEDHN C=CCC[C@@H](NCCO[C@@H]1CC1(F)F)c1ccco1 ZINC000658169015 419633701 /nfs/dbraw/zinc/63/37/01/419633701.db2.gz KVJVRKJSSSCRHN-DGCLKSJQSA-N 0 3 271.307 3.301 20 30 CGEDHN C=CCCN[C@H](COC)c1cccc(Cl)c1F ZINC000658114520 419589276 /nfs/dbraw/zinc/58/92/76/419589276.db2.gz PZLJSPODFHIOGK-GFCCVEGCSA-N 0 3 257.736 3.332 20 30 CGEDHN C=CCCN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000658117250 419592770 /nfs/dbraw/zinc/59/27/70/419592770.db2.gz RSNYYNXGXYAHSL-NSHDSACASA-N 0 3 290.798 3.456 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C)CC1 ZINC000179657144 260062117 /nfs/dbraw/zinc/06/21/17/260062117.db2.gz RYJSCWDBCMCQII-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN CC[C@@H]1C[C@H](CN(CCC#N)CCC(C)C)CCO1 ZINC000356999566 260122329 /nfs/dbraw/zinc/12/23/29/260122329.db2.gz VFABCIKQQNPOHX-HZPDHXFCSA-N 0 3 266.429 3.453 20 30 CGEDHN C=C(C)[C@H](NCCc1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000298557668 260156425 /nfs/dbraw/zinc/15/64/25/260156425.db2.gz VOSQVEDBOVEWGM-HNNXBMFYSA-N 0 3 277.318 3.137 20 30 CGEDHN C=CCN(CCc1ccco1)[C@H](C)c1cccnc1 ZINC000298754069 260161742 /nfs/dbraw/zinc/16/17/42/260161742.db2.gz CMLFIDIIMCTFJO-CQSZACIVSA-N 0 3 256.349 3.466 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCC[C@@H]1O ZINC000517833143 260310546 /nfs/dbraw/zinc/31/05/46/260310546.db2.gz ULFJDHHISNXXMD-ROUUACIJSA-N 0 3 284.403 3.097 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H]1c1ccc(O)cc1 ZINC000363472104 260313176 /nfs/dbraw/zinc/31/31/76/260313176.db2.gz QDJQTMAFOAKBRO-HNNXBMFYSA-N 0 3 258.365 3.469 20 30 CGEDHN COc1cnccc1[C@@H](C)NC1CCC(C)(C#N)CC1 ZINC000449269966 260335808 /nfs/dbraw/zinc/33/58/08/260335808.db2.gz PAOSEZUGXKJUMT-VEAWUBTESA-N 0 3 273.380 3.213 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000518212943 260357673 /nfs/dbraw/zinc/35/76/73/260357673.db2.gz RHTMHYRBNNPYJL-LBPRGKRZSA-N 0 3 293.798 3.270 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000090451023 260359693 /nfs/dbraw/zinc/35/96/93/260359693.db2.gz SGFIHSRWEXHOBO-HNNXBMFYSA-N 0 3 285.391 3.116 20 30 CGEDHN C=CCCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000448033667 260650234 /nfs/dbraw/zinc/65/02/34/260650234.db2.gz YVAWEURGFHAERM-INIZCTEOSA-N 0 3 273.355 3.204 20 30 CGEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248894142 261212147 /nfs/dbraw/zinc/21/21/47/261212147.db2.gz SXXKYZBGCGYBQU-JGGQBBKZSA-N 0 3 285.391 3.378 20 30 CGEDHN CC(C#N)C(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000465078076 261275245 /nfs/dbraw/zinc/27/52/45/261275245.db2.gz AABRKCFSMVOQAL-CYBMUJFWSA-N 0 3 288.366 3.299 20 30 CGEDHN C=CCCCN(C)Cc1cc(C(=O)OC)oc1CC ZINC000177204469 261339304 /nfs/dbraw/zinc/33/93/04/261339304.db2.gz SFHJFRBHRXUAEO-UHFFFAOYSA-N 0 3 265.353 3.027 20 30 CGEDHN COC[C@@H](NCCCC(C)(C)C#N)c1ccc(C)o1 ZINC000184641915 262024958 /nfs/dbraw/zinc/02/49/58/262024958.db2.gz PTLDNFNGYMYYRD-CYBMUJFWSA-N 0 3 264.369 3.195 20 30 CGEDHN CCOCc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185774841 262069841 /nfs/dbraw/zinc/06/98/41/262069841.db2.gz LQIHAIRSSKXIOZ-IRXDYDNUSA-N 0 3 272.392 3.395 20 30 CGEDHN C=CCOc1ccccc1CN(C)C[C@@H]1CCCC[C@@H]1O ZINC000497196411 262098950 /nfs/dbraw/zinc/09/89/50/262098950.db2.gz ABGBLSKFWMGROL-RDJZCZTQSA-N 0 3 289.419 3.234 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCC(C)(CO)CC1 ZINC000186887199 262114469 /nfs/dbraw/zinc/11/44/69/262114469.db2.gz POAGIWYJSOXHAC-UHFFFAOYSA-N 0 3 286.419 3.082 20 30 CGEDHN CC1(C)CCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000191856178 262195932 /nfs/dbraw/zinc/19/59/32/262195932.db2.gz XAXGWNZIXAXULU-MRXNPFEDSA-N 0 3 299.418 3.102 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OC(F)F)cc2)C1 ZINC000192607336 262205860 /nfs/dbraw/zinc/20/58/60/262205860.db2.gz JCUXXALGKJHVBJ-OLZOCXBDSA-N 0 3 280.318 3.460 20 30 CGEDHN CC(C)(O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000193304978 262219963 /nfs/dbraw/zinc/21/99/63/262219963.db2.gz DIPDURRPRBBRSZ-ZBFHGGJFSA-N 0 3 272.392 3.086 20 30 CGEDHN C=CCC[C@H](CC)N[C@H](C)c1nnc2n1CCCCC2 ZINC000364446482 262241819 /nfs/dbraw/zinc/24/18/19/262241819.db2.gz NXVYRAQLLZCINK-KGLIPLIRSA-N 0 3 276.428 3.400 20 30 CGEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000365046520 262269818 /nfs/dbraw/zinc/26/98/18/262269818.db2.gz VNZNQEUBRJZWMU-WWGRRREGSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCOc1ccccc1CNCC(C)(C)OCC ZINC000159299189 262338419 /nfs/dbraw/zinc/33/84/19/262338419.db2.gz CXHAWODYJFSNPN-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN Cn1c(CNCCCCC#N)nc2ccc(Cl)cc21 ZINC000270581879 262989736 /nfs/dbraw/zinc/98/97/36/262989736.db2.gz ALIWUNPCKMPAKM-UHFFFAOYSA-N 0 3 276.771 3.010 20 30 CGEDHN CC(C)(C#N)CCNC1(c2ccc(F)cc2)CCOCC1 ZINC000272061422 263002112 /nfs/dbraw/zinc/00/21/12/263002112.db2.gz WPLGVWJEIAJHTQ-UHFFFAOYSA-N 0 3 290.382 3.361 20 30 CGEDHN COc1ccc(CNCCCC#N)c2ccccc12 ZINC000273078418 263012231 /nfs/dbraw/zinc/01/22/31/263012231.db2.gz QCEWKZIPUQCGQH-UHFFFAOYSA-N 0 3 254.333 3.242 20 30 CGEDHN CC[C@H](CC#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000273908099 263020331 /nfs/dbraw/zinc/02/03/31/263020331.db2.gz XCLUZJYVDSJGRI-QGZVFWFLSA-N 0 3 299.418 3.095 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccccc2Cl)C1 ZINC000274220718 263022011 /nfs/dbraw/zinc/02/20/11/263022011.db2.gz PQWKYDLTIHULBB-CHWSQXEVSA-N 0 3 278.783 3.391 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(N3CCCCC3)nc2)C1 ZINC000274226962 263022154 /nfs/dbraw/zinc/02/21/54/263022154.db2.gz ROCRDDQVLGKRKT-RDJZCZTQSA-N 0 3 298.434 3.244 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000275465609 263033408 /nfs/dbraw/zinc/03/34/08/263033408.db2.gz NUXCAZZRAZUBKO-MRXNPFEDSA-N 0 3 286.419 3.081 20 30 CGEDHN CC(C)(C#N)CCN1CCC(Oc2ccc(F)nc2)CC1 ZINC000276815231 263038120 /nfs/dbraw/zinc/03/81/20/263038120.db2.gz NRLFYVCTUANGHX-UHFFFAOYSA-N 0 3 291.370 3.004 20 30 CGEDHN CN(CCOc1cccc(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278525512 263048611 /nfs/dbraw/zinc/04/86/11/263048611.db2.gz DEMRRKQZUUTQHO-TZMCWYRMSA-N 0 3 278.783 3.343 20 30 CGEDHN CC[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000281576309 263070434 /nfs/dbraw/zinc/07/04/34/263070434.db2.gz ZLEMAUSHVYIFQY-MRXNPFEDSA-N 0 3 286.419 3.489 20 30 CGEDHN Cc1cccc(C[NH2+]CC2CCC(C#N)CC2)c1[O-] ZINC000282355234 263076173 /nfs/dbraw/zinc/07/61/73/263076173.db2.gz PMKCZJXJQVLUQB-UHFFFAOYSA-N 0 3 258.365 3.120 20 30 CGEDHN COC(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000287736619 263102644 /nfs/dbraw/zinc/10/26/44/263102644.db2.gz YREFLSDGBZQUOF-GXTWGEPZSA-N 0 3 287.363 3.037 20 30 CGEDHN CCCC[C@@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291102248 263120184 /nfs/dbraw/zinc/12/01/84/263120184.db2.gz ZUMSYPMDHLJFPR-PBHICJAKSA-N 0 3 297.402 3.278 20 30 CGEDHN N#CCCOCCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000292976685 263136914 /nfs/dbraw/zinc/13/69/14/263136914.db2.gz DXLADRCNOFYUST-UHFFFAOYSA-N 0 3 290.382 3.010 20 30 CGEDHN CCOCC(C)(C)NCc1ccccc1C(C)(C)C#N ZINC000293299257 263139101 /nfs/dbraw/zinc/13/91/01/263139101.db2.gz PJTHQCMKTWEPKQ-UHFFFAOYSA-N 0 3 274.408 3.392 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000293817661 263150112 /nfs/dbraw/zinc/15/01/12/263150112.db2.gz OUHAEUKWJBGAHG-UKRRQHHQSA-N 0 3 254.377 3.472 20 30 CGEDHN N#CCCOCCN1CCC(c2cccc(Cl)c2)CC1 ZINC000294144391 263156596 /nfs/dbraw/zinc/15/65/96/263156596.db2.gz ONDHAMGGRUULJD-UHFFFAOYSA-N 0 3 292.810 3.450 20 30 CGEDHN C[C@H](CCC#N)N(C)CCCOc1ccc(F)cc1 ZINC000297956055 263212769 /nfs/dbraw/zinc/21/27/69/263212769.db2.gz UBEHUUWXCGFTKG-CYBMUJFWSA-N 0 3 264.344 3.219 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccccc1SC ZINC000453335521 263240539 /nfs/dbraw/zinc/24/05/39/263240539.db2.gz AHLQHBJYJGEJBY-STQMWFEESA-N 0 3 265.422 3.386 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093215901 263289038 /nfs/dbraw/zinc/28/90/38/263289038.db2.gz XVUZGECJGXQNEN-MCIONIFRSA-N 0 3 295.427 3.104 20 30 CGEDHN C=CC[C@H](CO)CNCc1c(Cl)cccc1Cl ZINC000341313935 263333966 /nfs/dbraw/zinc/33/39/66/263333966.db2.gz KSPAWVIIRUCEJL-JTQLQIEISA-N 0 3 274.191 3.268 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccccc1OC(F)F ZINC000341870410 263360633 /nfs/dbraw/zinc/36/06/33/263360633.db2.gz BRUXSGYKVGZAPC-RYUDHWBXSA-N 0 3 285.334 3.123 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](CC)c1cc(F)ccc1F ZINC000341873954 263360910 /nfs/dbraw/zinc/36/09/10/263360910.db2.gz FYWGTXCCKYKTAN-IAQYHMDHSA-N 0 3 269.335 3.190 20 30 CGEDHN COCC1(C#N)CCN(Cc2cc(C)sc2C)CC1 ZINC000341998199 263373714 /nfs/dbraw/zinc/37/37/14/263373714.db2.gz XDQRIGKNAJWQPA-UHFFFAOYSA-N 0 3 278.421 3.117 20 30 CGEDHN CC(C)c1cc(C(=O)N[C@@H](C)CN(C)C)nn1C(C)(C)C ZINC000330681502 264002952 /nfs/dbraw/zinc/00/29/52/264002952.db2.gz OWRKLDWYQDRLCJ-LBPRGKRZSA-N 0 3 294.443 3.016 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127506626 264255558 /nfs/dbraw/zinc/25/55/58/264255558.db2.gz YMISHHSLGRGYHT-GOSISDBHSA-N 0 3 280.371 3.364 20 30 CGEDHN C=CCCCN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000076650593 264346962 /nfs/dbraw/zinc/34/69/62/264346962.db2.gz PEIKIPDXISAFFF-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000180138089 264391982 /nfs/dbraw/zinc/39/19/82/264391982.db2.gz JAJRBDXDEUWBFQ-MSOLQXFVSA-N 0 3 298.430 3.316 20 30 CGEDHN C#CCSCCN[C@H]1CCSc2ccccc21 ZINC000181092592 264437168 /nfs/dbraw/zinc/43/71/68/264437168.db2.gz DKILQJRTHJLVPT-ZDUSSCGKSA-N 0 3 263.431 3.180 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(C(N)=O)cs1 ZINC000093498066 264508935 /nfs/dbraw/zinc/50/89/35/264508935.db2.gz CHZNVHHBWNGUEB-UHFFFAOYSA-N 0 3 266.410 3.025 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@@]3(C2)CCCOC3)c1 ZINC000367074932 265168281 /nfs/dbraw/zinc/16/82/81/265168281.db2.gz QQHCKWMQACUUAF-QGZVFWFLSA-N 0 3 289.806 3.194 20 30 CGEDHN CCC(CC)[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000224636927 270086841 /nfs/dbraw/zinc/08/68/41/270086841.db2.gz WEDVAQQJMIBFJM-LRDDRELGSA-N 0 3 260.381 3.006 20 30 CGEDHN C[C@H]1CCCC[C@@H]1OCCN1CCC(C)(C#N)CC1 ZINC000356451442 266117564 /nfs/dbraw/zinc/11/75/64/266117564.db2.gz GUUQGPUREIKYSX-GJZGRUSLSA-N 0 3 264.413 3.207 20 30 CGEDHN CC(C)c1ccc(CN(C(=O)C(C)C#N)C2CC2)cc1 ZINC000357814449 266370697 /nfs/dbraw/zinc/37/06/97/266370697.db2.gz GFGNGPTXSRXNOH-CYBMUJFWSA-N 0 3 270.376 3.461 20 30 CGEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(F)c1)CC2 ZINC000404814863 274136893 /nfs/dbraw/zinc/13/68/93/274136893.db2.gz AUTOZBBOXOMRPR-GOSISDBHSA-N 0 3 296.345 3.483 20 30 CGEDHN CS[C@H](C)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352807819 274183793 /nfs/dbraw/zinc/18/37/93/274183793.db2.gz ALONHAFGSIGIHD-SECBINFHSA-N 0 3 288.338 3.418 20 30 CGEDHN CC1(C)C[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352838437 275870791 /nfs/dbraw/zinc/87/07/91/275870791.db2.gz FJGWMZLBIPNOPZ-GFCCVEGCSA-N 0 3 268.282 3.465 20 30 CGEDHN C[C@@H](Nc1cccc(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000287805752 278389890 /nfs/dbraw/zinc/38/98/90/278389890.db2.gz PNLLTYUKNUKSDJ-CXAGYDPISA-N 0 3 280.375 3.057 20 30 CGEDHN C[C@@]1(CNCc2ccc(C#N)cc2)OCCc2sccc21 ZINC000289967279 279161593 /nfs/dbraw/zinc/16/15/93/279161593.db2.gz YPDMFDDOTSNALK-KRWDZBQOSA-N 0 3 298.411 3.197 20 30 CGEDHN C[C@H](F)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000339489710 279390882 /nfs/dbraw/zinc/39/08/82/279390882.db2.gz IEVLRTXSCXAWKZ-VIFPVBQESA-N 0 3 274.261 3.415 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccnn1C ZINC000334906960 279509632 /nfs/dbraw/zinc/50/96/32/279509632.db2.gz QKEZWXDQNYKZIN-BLLLJJGKSA-N 0 3 280.375 3.020 20 30 CGEDHN Cc1cc(C)c(CN[C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000334668403 280386395 /nfs/dbraw/zinc/38/63/95/280386395.db2.gz GHTNIDGWDVPYDT-SFHVURJKSA-N 0 3 277.371 3.347 20 30 CGEDHN Cc1cc(CNCCOc2ccccc2)ccc1C#N ZINC000443965685 533692567 /nfs/dbraw/zinc/69/25/67/533692567.db2.gz KFWILNKGMTYOBH-UHFFFAOYSA-N 0 3 266.344 3.035 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245597789 290221203 /nfs/dbraw/zinc/22/12/03/290221203.db2.gz LVRZUHLPYWLYQA-IIDMSEBBSA-N 0 3 294.402 3.399 20 30 CGEDHN N#Cc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000177207393 303191162 /nfs/dbraw/zinc/19/11/62/303191162.db2.gz NKZWETIZZBGGKX-JKSUJKDBSA-N 0 3 272.417 3.418 20 30 CGEDHN CC[C@@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000580709608 327697182 /nfs/dbraw/zinc/69/71/82/327697182.db2.gz HZBPIXJXPUDXMN-HOTGVXAUSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CCCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412317705 328108656 /nfs/dbraw/zinc/10/86/56/328108656.db2.gz ZVWDOYDMAIYSRT-UHFFFAOYSA-N 0 3 286.419 3.369 20 30 CGEDHN CCCN(C(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000582497249 329101286 /nfs/dbraw/zinc/10/12/86/329101286.db2.gz QHMQIXJTXNFRQG-MRXNPFEDSA-N 0 3 272.392 3.406 20 30 CGEDHN CCOc1cccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000274672939 328212786 /nfs/dbraw/zinc/21/27/86/328212786.db2.gz YGYCEHSLAYFSSU-KCQAQPDRSA-N 0 3 258.365 3.428 20 30 CGEDHN Cc1cccnc1[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000278641001 328229126 /nfs/dbraw/zinc/22/91/26/328229126.db2.gz PBKBCEAUWQRXMT-RBSFLKMASA-N 0 3 257.381 3.369 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc([S@](C)=O)cc1 ZINC000278863251 328231421 /nfs/dbraw/zinc/23/14/21/328231421.db2.gz WMSBNSPLFYNTPT-IFIYUWNVSA-N 0 3 290.432 3.157 20 30 CGEDHN N#Cc1ccc(CN(CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000565658978 322086094 /nfs/dbraw/zinc/08/60/94/322086094.db2.gz BMXTXJCUMAWMMP-UHFFFAOYSA-N 0 3 285.347 3.231 20 30 CGEDHN CC(C)CC[C@@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000567176316 322153183 /nfs/dbraw/zinc/15/31/83/322153183.db2.gz AVNLVYJQAVAKAC-INIZCTEOSA-N 0 3 257.381 3.354 20 30 CGEDHN Cc1nn(C)c2sc([C@H](C)N[C@@H]3CC[C@H](C#N)C3)cc12 ZINC000584107567 326973065 /nfs/dbraw/zinc/97/30/65/326973065.db2.gz UDPHMLNVCHFITE-SDDRHHMPSA-N 0 3 288.420 3.286 20 30 CGEDHN C=CCCN1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC000558830945 327123645 /nfs/dbraw/zinc/12/36/45/327123645.db2.gz KCIBITNEHFENMM-GOSISDBHSA-N 0 3 287.403 3.203 20 30 CGEDHN C=CCN[C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558899135 327130334 /nfs/dbraw/zinc/13/03/34/327130334.db2.gz ACWBRYTWUADVJC-GJZGRUSLSA-N 0 3 282.790 3.390 20 30 CGEDHN C=CCOCCN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000559106942 327141805 /nfs/dbraw/zinc/14/18/05/327141805.db2.gz PEOOPQOSHFTSOY-BBRMVZONSA-N 0 3 263.356 3.411 20 30 CGEDHN C=C(C)COCCNCc1cc(Br)cs1 ZINC000131385923 327161652 /nfs/dbraw/zinc/16/16/52/327161652.db2.gz LNBHUIKDMCWJGE-UHFFFAOYSA-N 0 3 290.226 3.193 20 30 CGEDHN C[C@@H](N[C@H](CO)C1CCCC1)c1ccc(C#N)cc1Cl ZINC000584261722 327203742 /nfs/dbraw/zinc/20/37/42/327203742.db2.gz RJEWGXUTRANVMD-BDJLRTHQSA-N 0 3 292.810 3.413 20 30 CGEDHN CN(C)Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000361426083 328925377 /nfs/dbraw/zinc/92/53/77/328925377.db2.gz LKZFIRYNCAVHEP-XJKSGUPXSA-N 0 3 289.398 3.059 20 30 CGEDHN N#CCCCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000175958452 329172849 /nfs/dbraw/zinc/17/28/49/329172849.db2.gz LLWSPLCPMANXDS-KRWDZBQOSA-N 0 3 272.392 3.014 20 30 CGEDHN CCCCCCCCN1CCN(C2CCOCC2)CC1 ZINC000177752001 329186601 /nfs/dbraw/zinc/18/66/01/329186601.db2.gz DCDKZWXSPNSCMA-UHFFFAOYSA-N 0 3 282.472 3.144 20 30 CGEDHN C=C(CN[C@@H]1C[C@H](OCC)[C@H]1SC)c1ccccc1 ZINC000459380321 329232582 /nfs/dbraw/zinc/23/25/82/329232582.db2.gz BENIAJPAIGXKIY-PMPSAXMXSA-N 0 3 277.433 3.198 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)C)s2)CC1 ZINC000186225135 329339767 /nfs/dbraw/zinc/33/97/67/329339767.db2.gz NDTMALAVUSQGGE-UHFFFAOYSA-N 0 3 292.448 3.252 20 30 CGEDHN Cc1cccc2c1OCC[C@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000193349589 329440701 /nfs/dbraw/zinc/44/07/01/329440701.db2.gz AKXFZHZDQULHOP-OFQRWUPVSA-N 0 3 270.376 3.491 20 30 CGEDHN C[C@@H](O)[C@@H](NCC(C)(C)CCC#N)c1ccccc1F ZINC000583757227 329474453 /nfs/dbraw/zinc/47/44/53/329474453.db2.gz JKDJVYGHHZGPEL-IUODEOHRSA-N 0 3 278.371 3.167 20 30 CGEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](N)CCCC#N ZINC000424081312 330222047 /nfs/dbraw/zinc/22/20/47/330222047.db2.gz VDTFMXGRZKOMQV-CQSZACIVSA-N 0 3 273.380 3.078 20 30 CGEDHN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424171952 330311814 /nfs/dbraw/zinc/31/18/14/330311814.db2.gz MMVXWEMFEREECO-QLFBSQMISA-N 0 3 293.455 3.119 20 30 CGEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2ccc(F)cc2)n1 ZINC000424203688 330327090 /nfs/dbraw/zinc/32/70/90/330327090.db2.gz RKRBKTILIDSRNN-BLLLJJGKSA-N 0 3 298.365 3.008 20 30 CGEDHN Cc1nn(-c2cccc(F)c2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424208308 330328134 /nfs/dbraw/zinc/32/81/34/330328134.db2.gz YXPMSOOWGAQHKB-XJKSGUPXSA-N 0 3 298.365 3.102 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000424293146 330335219 /nfs/dbraw/zinc/33/52/19/330335219.db2.gz IDNNUODEZYNWRU-DYEKYZERSA-N 0 3 292.448 3.264 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@H](C)C(C)C)CC1 ZINC000106340971 330335539 /nfs/dbraw/zinc/33/55/39/330335539.db2.gz BSWAMPYQLYLGSU-OAHLLOKOSA-N 0 3 295.471 3.103 20 30 CGEDHN Cc1c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000424321712 330340318 /nfs/dbraw/zinc/34/03/18/330340318.db2.gz HTYAFVXCUGWOAD-RWMBFGLXSA-N 0 3 273.336 3.246 20 30 CGEDHN CC(C)C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000424328276 330341652 /nfs/dbraw/zinc/34/16/52/330341652.db2.gz NTJBLPMJBUDPPI-SQWLQELKSA-N 0 3 257.381 3.451 20 30 CGEDHN C=C(CC)CN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000536889088 330363285 /nfs/dbraw/zinc/36/32/85/330363285.db2.gz HJZLXCWZCAFRSL-QGZVFWFLSA-N 0 3 286.419 3.237 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000090451225 330392479 /nfs/dbraw/zinc/39/24/79/330392479.db2.gz BAVARUZUMCDOSI-HNNXBMFYSA-N 0 3 279.355 3.222 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000121040906 330395317 /nfs/dbraw/zinc/39/53/17/330395317.db2.gz BJLGTRKBBIZFHB-CVEARBPZSA-N 0 3 288.435 3.459 20 30 CGEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000442829033 330785713 /nfs/dbraw/zinc/78/57/13/330785713.db2.gz OGDOTDYITCOSBS-OJDYBEQGSA-N 0 3 276.355 3.184 20 30 CGEDHN C=C(C)CNC1(c2ccc(OC)c(F)c2)CCOCC1 ZINC000444807694 330826629 /nfs/dbraw/zinc/82/66/29/330826629.db2.gz ZZWOFZZEMUGFOR-UHFFFAOYSA-N 0 3 279.355 3.006 20 30 CGEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1c(C)nn(C)c1C ZINC000447536389 330868713 /nfs/dbraw/zinc/86/87/13/330868713.db2.gz MUXHZNAUPCFDKM-KFWWJZLASA-N 0 3 274.412 3.160 20 30 CGEDHN COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000447589149 330872046 /nfs/dbraw/zinc/87/20/46/330872046.db2.gz WZJWMSIAIHZKJA-MAZHCROVSA-N 0 3 276.355 3.185 20 30 CGEDHN N#CC1(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CCC1 ZINC000450892980 331005310 /nfs/dbraw/zinc/00/53/10/331005310.db2.gz GAJQYDWQNYLDHW-OAGGEKHMSA-N 0 3 276.424 3.086 20 30 CGEDHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1CC1(C#N)CCC1 ZINC000450953807 331008608 /nfs/dbraw/zinc/00/86/08/331008608.db2.gz AFBUJMUBYODBJA-OAGGEKHMSA-N 0 3 276.424 3.086 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000451269651 331022584 /nfs/dbraw/zinc/02/25/84/331022584.db2.gz RFCDLYNXZIQGBP-HOCLYGCPSA-N 0 3 288.435 3.315 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453144182 331093720 /nfs/dbraw/zinc/09/37/20/331093720.db2.gz QDVAGFLFRBQEJC-OLZOCXBDSA-N 0 3 255.365 3.312 20 30 CGEDHN C=C(C)CCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000453313095 331115017 /nfs/dbraw/zinc/11/50/17/331115017.db2.gz HJRCOKARHWXMLT-INIZCTEOSA-N 0 3 273.355 3.204 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2ccccc2n1 ZINC000453352842 331121008 /nfs/dbraw/zinc/12/10/08/331121008.db2.gz KCRQBDJOPYKRJL-VUCTXSBTSA-N 0 3 268.360 3.229 20 30 CGEDHN C=C(CC)CN[C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000453379464 331125525 /nfs/dbraw/zinc/12/55/25/331125525.db2.gz WJKJNMLQCMIWNN-QGZVFWFLSA-N 0 3 272.392 3.036 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000457064249 331211279 /nfs/dbraw/zinc/21/12/79/331211279.db2.gz FVNCSZHKBFQNOR-SCDSUCTJSA-N 0 3 276.767 3.252 20 30 CGEDHN C=CCOc1cccc(CN[C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000459634631 331291298 /nfs/dbraw/zinc/29/12/98/331291298.db2.gz OPZREVFQVUHMHM-WOVMCDHWSA-N 0 3 275.392 3.297 20 30 CGEDHN CC#CCN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481393998 331805901 /nfs/dbraw/zinc/80/59/01/331805901.db2.gz TXLPYIFBAWVNTI-SMDDNHRTSA-N 0 3 251.757 3.029 20 30 CGEDHN CO[C@@H]1CCCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000483710082 331882341 /nfs/dbraw/zinc/88/23/41/331882341.db2.gz HFPKANNFRBUHGA-HZPDHXFCSA-N 0 3 277.795 3.239 20 30 CGEDHN C=CCOc1ccccc1CN1CCSC[C@H](C)C1 ZINC000488370337 332002422 /nfs/dbraw/zinc/00/24/22/332002422.db2.gz GWNSESISFSWXLT-CQSZACIVSA-N 0 3 277.433 3.436 20 30 CGEDHN C=CCOc1ccc(CN2CCSC[C@@H](C)C2)cc1 ZINC000488398547 332004122 /nfs/dbraw/zinc/00/41/22/332004122.db2.gz QDAUBVVEGJOTCE-AWEZNQCLSA-N 0 3 277.433 3.436 20 30 CGEDHN Cc1ccc([C@@H]2C[C@@H](C)N(CC3(C#N)CC3)C2)cc1 ZINC000490073658 332080172 /nfs/dbraw/zinc/08/01/72/332080172.db2.gz RCBZGRMSYGKTDX-GDBMZVCRSA-N 0 3 254.377 3.477 20 30 CGEDHN C#C[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(F)cc1 ZINC000491229885 332170087 /nfs/dbraw/zinc/17/00/87/332170087.db2.gz JSMYCJRJZWKWRN-IKGGRYGDSA-N 0 3 275.367 3.293 20 30 CGEDHN CN(C)CCSCc1ccccc1C(C)(C)C#N ZINC000157754066 334783338 /nfs/dbraw/zinc/78/33/38/334783338.db2.gz KCBXQORHWNUHAI-UHFFFAOYSA-N 0 3 262.422 3.283 20 30 CGEDHN C=CCCCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000177844542 333064062 /nfs/dbraw/zinc/06/40/62/333064062.db2.gz BRZTYFMTPJAYMD-UHFFFAOYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000185808509 333149411 /nfs/dbraw/zinc/14/94/11/333149411.db2.gz MCPYCFJGUZUKBK-AWEZNQCLSA-N 0 3 294.464 3.241 20 30 CGEDHN C=C(C)[C@H](NC1CCOCC1)c1ccc(F)c(F)c1 ZINC000186451739 333161067 /nfs/dbraw/zinc/16/10/67/333161067.db2.gz GPZIUWHLHHMXDX-HNNXBMFYSA-N 0 3 267.319 3.351 20 30 CGEDHN C=CC[C@H](CO)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189404417 333192183 /nfs/dbraw/zinc/19/21/83/333192183.db2.gz CFBUFYBXJMODMQ-GFCCVEGCSA-N 0 3 293.716 3.385 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](O)CC(C)(C)C ZINC000227373450 333281835 /nfs/dbraw/zinc/28/18/35/333281835.db2.gz DNOFSZSBBIZPNN-OAHLLOKOSA-N 0 3 277.408 3.138 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@H]1CC ZINC000523557898 333333148 /nfs/dbraw/zinc/33/31/48/333333148.db2.gz FTNJOILQXDULIA-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN COc1ccc(CC[C@H](C)NCc2ccc(C#N)o2)cc1 ZINC000174321514 335152512 /nfs/dbraw/zinc/15/25/12/335152512.db2.gz OIWNYGLESKFARN-ZDUSSCGKSA-N 0 3 284.359 3.271 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H]1C[C@H](C)Sc2sccc21 ZINC000539299841 333664827 /nfs/dbraw/zinc/66/48/27/333664827.db2.gz LUERGYQZUMLCIJ-LOWVWBTDSA-N 0 3 283.462 3.448 20 30 CGEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2CCCC2)CC1 ZINC000174571036 335159232 /nfs/dbraw/zinc/15/92/32/335159232.db2.gz BMXNTZIFTRPZSD-SFHVURJKSA-N 0 3 283.419 3.059 20 30 CGEDHN Cc1cc(C)cc(C[C@@H](C)NCc2ccc(C#N)o2)c1 ZINC000174582079 335159519 /nfs/dbraw/zinc/15/95/19/335159519.db2.gz IMLZAFBHAFTASN-CQSZACIVSA-N 0 3 268.360 3.489 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000133816127 334059684 /nfs/dbraw/zinc/05/96/84/334059684.db2.gz ITIORXJZQQIHCR-KGLIPLIRSA-N 0 3 295.427 3.058 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000079324125 334151541 /nfs/dbraw/zinc/15/15/41/334151541.db2.gz LEVHCRAJKVHGDZ-HZPDHXFCSA-N 0 3 288.435 3.459 20 30 CGEDHN C=CCOCCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000549527361 334196308 /nfs/dbraw/zinc/19/63/08/334196308.db2.gz MWYHIIHUOCOFHX-INIZCTEOSA-N 0 3 263.356 3.459 20 30 CGEDHN C=C(C)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550010345 334211463 /nfs/dbraw/zinc/21/14/63/334211463.db2.gz QOUYZYIMPMRAMJ-AWEZNQCLSA-N 0 3 251.757 3.369 20 30 CGEDHN C=CCCCCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000569117632 334856360 /nfs/dbraw/zinc/85/63/60/334856360.db2.gz RHQJMKVUVOAZJD-UHFFFAOYSA-N 0 3 293.455 3.003 20 30 CGEDHN Cc1ccccc1O[C@H](C)CNCc1cc(C#N)cs1 ZINC000177707120 335380421 /nfs/dbraw/zinc/38/04/21/335380421.db2.gz OWXUTEDTUVWHLV-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000177708619 335380503 /nfs/dbraw/zinc/38/05/03/335380503.db2.gz BASSOBJVAGUBKQ-LSDHHAIUSA-N 0 3 286.404 3.090 20 30 CGEDHN COc1ccc([C@@H](C)CN2CCC(C#N)CC2)cc1 ZINC000179924360 335532667 /nfs/dbraw/zinc/53/26/67/335532667.db2.gz RQUZUFVHDIHFQK-ZDUSSCGKSA-N 0 3 258.365 3.034 20 30 CGEDHN C=CCN(CCSC)Cc1ccc(OC)cc1 ZINC000194203954 336009025 /nfs/dbraw/zinc/00/90/25/336009025.db2.gz QJHSOKDBNMPPGB-UHFFFAOYSA-N 0 3 251.395 3.046 20 30 CGEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000581421065 336074456 /nfs/dbraw/zinc/07/44/56/336074456.db2.gz JLFSRABOHGGSAU-ZIAGYGMSSA-N 0 3 299.418 3.396 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1ccc(C#N)cn1)C(C)C ZINC000058648586 518773260 /nfs/dbraw/zinc/77/32/60/518773260.db2.gz NKGKHNVXROZOAD-INIZCTEOSA-N 0 3 284.407 3.064 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000184270671 519105617 /nfs/dbraw/zinc/10/56/17/519105617.db2.gz WGCZROYTLVSVFA-JTQLQIEISA-N 0 3 293.716 3.385 20 30 CGEDHN Cc1cccc(C)c1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000330211010 534673364 /nfs/dbraw/zinc/67/33/64/534673364.db2.gz CSRGPTNJNKPWHH-PBHICJAKSA-N 0 3 288.391 3.049 20 30 CGEDHN CN(Cc1ccc(C#N)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000093511016 523212674 /nfs/dbraw/zinc/21/26/74/523212674.db2.gz WMGPDXXSDSGOGD-MRXNPFEDSA-N 0 3 295.386 3.252 20 30 CGEDHN Cc1cccc(CN(CC(C)C)C(=O)C(C)C#N)c1 ZINC000347164730 534703755 /nfs/dbraw/zinc/70/37/55/534703755.db2.gz RPLWWAGTLFNFHM-CQSZACIVSA-N 0 3 258.365 3.139 20 30 CGEDHN CN(Cc1cn2ccccc2c1C#N)CC1CCC1 ZINC000111296068 523495210 /nfs/dbraw/zinc/49/52/10/523495210.db2.gz KTKXMVYPEFKLDQ-UHFFFAOYSA-N 0 3 253.349 3.043 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc3ccccc3n2)C1 ZINC000336611837 534755089 /nfs/dbraw/zinc/75/50/89/534755089.db2.gz WHRBSPMJMCLSOQ-GXTWGEPZSA-N 0 3 251.333 3.017 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000037748886 525533103 /nfs/dbraw/zinc/53/31/03/525533103.db2.gz DPTBQGOAXNSSBB-CQSZACIVSA-N 0 3 279.387 3.475 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(OC)c(C#N)c1 ZINC000352702204 526327434 /nfs/dbraw/zinc/32/74/34/526327434.db2.gz UCJULDLOKZZLFI-UHFFFAOYSA-N 0 3 296.370 3.391 20 30 CGEDHN C=CCNC(=O)CN[C@H](CCCC(C)C)c1ccccc1 ZINC000347356908 526573072 /nfs/dbraw/zinc/57/30/72/526573072.db2.gz UGMLHPCSNLNDKO-QGZVFWFLSA-N 0 3 288.435 3.446 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000106066303 526606515 /nfs/dbraw/zinc/60/65/15/526606515.db2.gz OQTNRBMWSBIOEJ-UHFFFAOYSA-N 0 3 255.365 3.011 20 30 CGEDHN C=CCOc1cccc(CNC[C@H](OC)C(C)C)c1 ZINC000344726444 526904445 /nfs/dbraw/zinc/90/44/45/526904445.db2.gz IKSLDEXIMOPLLO-INIZCTEOSA-N 0 3 263.381 3.012 20 30 CGEDHN C=CCOc1ccccc1CN(C)CCCOC(C)C ZINC000353707998 526930159 /nfs/dbraw/zinc/93/01/59/526930159.db2.gz HKJHMDHKUOEWNA-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CC[C@@H]1SC ZINC000344958867 526952820 /nfs/dbraw/zinc/95/28/20/526952820.db2.gz VZMUYBHXVWDNTD-ZFWWWQNUSA-N 0 3 263.406 3.235 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H]1CCCN1CCC ZINC000352276083 527126640 /nfs/dbraw/zinc/12/66/40/527126640.db2.gz RRTVATVVMLVNOU-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2ccc(F)cc21 ZINC000344334661 527368473 /nfs/dbraw/zinc/36/84/73/527368473.db2.gz SVMDYRYVEQXJGF-MRXNPFEDSA-N 0 3 263.356 3.385 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@H]1CCc2ccccc21 ZINC000347045595 527771733 /nfs/dbraw/zinc/77/17/33/527771733.db2.gz ZWMFUYCUYJPMMB-WFASDCNBSA-N 0 3 256.349 3.072 20 30 CGEDHN CCC(=O)CCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529606 528285080 /nfs/dbraw/zinc/28/50/80/528285080.db2.gz CEBIHVWDYXIJLP-ZDUSSCGKSA-N 0 3 258.365 3.310 20 30 CGEDHN CC1(C#N)CCC([NH2+]Cc2ccc([O-])c(F)c2)CC1 ZINC000336228818 528833312 /nfs/dbraw/zinc/83/33/12/528833312.db2.gz BVDRDZLDMBJAMA-UHFFFAOYSA-N 0 3 262.328 3.093 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cccc(C#N)c1F ZINC000358998306 529115471 /nfs/dbraw/zinc/11/54/71/529115471.db2.gz HHTAEBWFPXTWIT-LSDHHAIUSA-N 0 3 290.382 3.381 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCO1 ZINC000439459260 529182595 /nfs/dbraw/zinc/18/25/95/529182595.db2.gz VUOXUYNGQYKJNB-CABCVRRESA-N 0 3 278.783 3.259 20 30 CGEDHN CC[C@@H](NCc1cnc2n1CCCC2)c1ccc(C#N)cc1 ZINC000367439846 529188345 /nfs/dbraw/zinc/18/83/45/529188345.db2.gz XOUSGICRLBEXOF-QGZVFWFLSA-N 0 3 294.402 3.332 20 30 CGEDHN CCSc1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000347132774 529247750 /nfs/dbraw/zinc/24/77/50/529247750.db2.gz JZPYKBSKORBLBJ-MNOVXSKESA-N 0 3 262.378 3.135 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000451489078 534927659 /nfs/dbraw/zinc/92/76/59/534927659.db2.gz BUIYBLRFWZLBCG-CVEARBPZSA-N 0 3 290.382 3.379 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC000452027481 535744034 /nfs/dbraw/zinc/74/40/34/535744034.db2.gz ABPZLXROOIFXCC-HZPDHXFCSA-N 0 3 276.355 3.135 20 30 CGEDHN CC(=NNCCCc1ccccc1)c1ccc(N)cc1 ZINC000729147638 571878471 /nfs/dbraw/zinc/87/84/71/571878471.db2.gz DJSLLGOTORWPOK-UHFFFAOYSA-N 0 3 267.376 3.215 20 30 CGEDHN CO[C@@H](C)CC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421883 572352450 /nfs/dbraw/zinc/35/24/50/572352450.db2.gz RADWTRCRKLYWJV-WPRPVWTQSA-N 0 3 292.335 3.037 20 30 CGEDHN C[C@@H]1CC(N=Nc2nccc3sccc32)CCN1C ZINC000741461740 572499613 /nfs/dbraw/zinc/49/96/13/572499613.db2.gz PXKFKNLWBUQEJJ-SNVBAGLBSA-N 0 3 274.393 3.178 20 30 CGEDHN C#CCN(CCCSC)[C@@H]1CCc2ccccc21 ZINC000741754522 572522370 /nfs/dbraw/zinc/52/23/70/572522370.db2.gz RHGCIIGAFQJXSU-MRXNPFEDSA-N 0 3 259.418 3.362 20 30 CGEDHN CCc1cccc(NC(=O)CNCC(C)(C)CCC#N)c1 ZINC000742370700 572569332 /nfs/dbraw/zinc/56/93/32/572569332.db2.gz JROSEQHWAGGYRE-UHFFFAOYSA-N 0 3 287.407 3.107 20 30 CGEDHN C=C(Cl)CN1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000747532407 572589792 /nfs/dbraw/zinc/58/97/92/572589792.db2.gz XKRMEDPOVICDDJ-HNNXBMFYSA-N 0 3 278.827 3.335 20 30 CGEDHN C[C@H](CC#N)OC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000733708249 572598145 /nfs/dbraw/zinc/59/81/45/572598145.db2.gz QKIINZCBRYZFPK-CQSZACIVSA-N 0 3 286.375 3.131 20 30 CGEDHN CCC(CC)NN=Cc1ccc2c(c1)CCCN2C ZINC000734365988 572648995 /nfs/dbraw/zinc/64/89/95/572648995.db2.gz ALJZCXJTBYVSLN-UHFFFAOYSA-N 0 3 259.397 3.181 20 30 CGEDHN N#CC(C(=O)[C@H]1CC12CCCC2)c1nc2ccccc2[nH]1 ZINC000747479237 572931367 /nfs/dbraw/zinc/93/13/67/572931367.db2.gz JKIWSSXFSVAHPO-NWDGAFQWSA-N 0 3 279.343 3.319 20 30 CGEDHN C=C(C)CN1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747971020 572956836 /nfs/dbraw/zinc/95/68/36/572956836.db2.gz XGIFMVVJOZKJIJ-KGLIPLIRSA-N 0 3 282.428 3.188 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccn(C)c2)c([O-])c1 ZINC000748285515 572972223 /nfs/dbraw/zinc/97/22/23/572972223.db2.gz KEVMKPCGJZOLKV-LDADJPATSA-N 0 3 285.391 3.196 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819729106 607085607 /nfs/dbraw/zinc/08/56/07/607085607.db2.gz CLXBGMBXRYZLFV-AVGNSLFASA-N 0 3 285.395 3.118 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819729106 607085609 /nfs/dbraw/zinc/08/56/09/607085609.db2.gz CLXBGMBXRYZLFV-AVGNSLFASA-N 0 3 285.395 3.118 20 30 CGEDHN C=C(CC)C[N@@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823878048 608309841 /nfs/dbraw/zinc/30/98/41/608309841.db2.gz NAAVIAISEPYWSQ-ZDUSSCGKSA-N 0 3 285.395 3.216 20 30 CGEDHN C=C(CC)C[N@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823878048 608309843 /nfs/dbraw/zinc/30/98/43/608309843.db2.gz NAAVIAISEPYWSQ-ZDUSSCGKSA-N 0 3 285.395 3.216 20 30 CGEDHN C=C(CC)C[N@@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823878048 608309845 /nfs/dbraw/zinc/30/98/45/608309845.db2.gz NAAVIAISEPYWSQ-ZDUSSCGKSA-N 0 3 285.395 3.216 20 30 CGEDHN C=C(CC)C[N@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823878048 608309847 /nfs/dbraw/zinc/30/98/47/608309847.db2.gz NAAVIAISEPYWSQ-ZDUSSCGKSA-N 0 3 285.395 3.216 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000970938549 613298988 /nfs/dbraw/zinc/29/89/88/613298988.db2.gz RJLFPMQHMNOSDM-CABCVRRESA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578254 613324236 /nfs/dbraw/zinc/32/42/36/613324236.db2.gz CPDJTAKLSHXRJK-WBVHZDCISA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190790 613333421 /nfs/dbraw/zinc/33/34/21/613333421.db2.gz MHRMSKYOYYRZPA-DOTOQJQBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972788533 613341618 /nfs/dbraw/zinc/34/16/18/613341618.db2.gz IMOJHNPLWAFJBJ-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC000981810153 613498884 /nfs/dbraw/zinc/49/88/84/613498884.db2.gz VUOZNAFCEFTOSV-UHFFFAOYSA-N 0 3 290.407 3.127 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC000971694331 613626369 /nfs/dbraw/zinc/62/63/69/613626369.db2.gz ZDAAMTRCTQOVQO-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC000972471222 613633018 /nfs/dbraw/zinc/63/30/18/613633018.db2.gz CJVOAZSOVDGNQO-SJORKVTESA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccsc1C ZINC000968849810 613684870 /nfs/dbraw/zinc/68/48/70/613684870.db2.gz HDLHATBKFWJKFQ-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000969018175 613686133 /nfs/dbraw/zinc/68/61/33/613686133.db2.gz XJYPRZTUFKPHAP-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)C[C@@H]1C ZINC000947776052 613750292 /nfs/dbraw/zinc/75/02/92/613750292.db2.gz SZLKVIXCVFAIRW-CMPLNLGQSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2CC)C[C@H]1C ZINC000948067491 613762813 /nfs/dbraw/zinc/76/28/13/613762813.db2.gz XITOJQWFWSFXRT-TZMCWYRMSA-N 0 3 292.448 3.079 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000940999504 613780342 /nfs/dbraw/zinc/78/03/42/613780342.db2.gz JJVIGMSEIAUWIF-INIZCTEOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008284 613784861 /nfs/dbraw/zinc/78/48/61/613784861.db2.gz MBHFLKDXIULDTH-GJZGRUSLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2sccc2Cl)C[C@H]1C ZINC000947329264 613801918 /nfs/dbraw/zinc/80/19/18/613801918.db2.gz WGRGUTFYFKQPRF-MNOVXSKESA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001020853610 617801692 /nfs/dbraw/zinc/80/16/92/617801692.db2.gz SQSMUTLFKHGWFU-YXWQFLTLSA-N 0 3 298.858 3.048 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810910267 618062528 /nfs/dbraw/zinc/06/25/28/618062528.db2.gz FVEOTWWIVULJJW-CJNGLKHVSA-N 0 3 284.419 3.060 20 30 CGEDHN N#Cc1cc(Cl)cc(CNC2([C@@H]3CCCCO3)CC2)c1 ZINC000933372359 618219024 /nfs/dbraw/zinc/21/90/24/618219024.db2.gz YYNJQRWOCMLJQT-HNNXBMFYSA-N 0 3 290.794 3.403 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[C@@H]2CC)C1 ZINC001022285658 618252462 /nfs/dbraw/zinc/25/24/62/618252462.db2.gz JWFCHKPRUBVQJY-AYDFFVQHSA-N 0 3 298.858 3.192 20 30 CGEDHN CSc1ccc(CN[C@@H](C)c2cc[nH]c(=O)c2)cc1C#N ZINC000926867951 618957513 /nfs/dbraw/zinc/95/75/13/618957513.db2.gz FXIGTZJLCYVARV-NSHDSACASA-N 0 3 299.399 3.232 20 30 CGEDHN C#C[C@@H](C)NCc1cccc(OCc2ccccc2)c1 ZINC000309915323 619060601 /nfs/dbraw/zinc/06/06/01/619060601.db2.gz UDZCJFHRXYANBR-OAHLLOKOSA-N 0 3 265.356 3.377 20 30 CGEDHN C#CCN(CCC(=O)c1ccc(C)cc1)C1CCCC1 ZINC000775613670 619080819 /nfs/dbraw/zinc/08/08/19/619080819.db2.gz SUDXVOVLXZLAKC-UHFFFAOYSA-N 0 3 269.388 3.446 20 30 CGEDHN CCCCn1cc(CN[C@@H](C)CC(C)(C)C#N)c(C)n1 ZINC000925690218 619139127 /nfs/dbraw/zinc/13/91/27/619139127.db2.gz ICMBOBSJQPTXSE-ZDUSSCGKSA-N 0 3 276.428 3.410 20 30 CGEDHN Cc1cc(F)ncc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000894103603 619374750 /nfs/dbraw/zinc/37/47/50/619374750.db2.gz URKVRMFOPQXMNH-INIZCTEOSA-N 0 3 281.334 3.178 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1csc(C#N)c1 ZINC000894496018 619555238 /nfs/dbraw/zinc/55/52/38/619555238.db2.gz NYDWVANABVAEJH-NSHDSACASA-N 0 3 254.424 3.193 20 30 CGEDHN CC(C)Cc1ccc(CNCC(C)(C)CC#N)cn1 ZINC000894856103 619654489 /nfs/dbraw/zinc/65/44/89/619654489.db2.gz PYGUCKLANXDXGY-UHFFFAOYSA-N 0 3 259.397 3.310 20 30 CGEDHN C=CCc1cc(CN2CCC[C@H](CF)C2)cc(OC)c1O ZINC000895545092 619846937 /nfs/dbraw/zinc/84/69/37/619846937.db2.gz BEZJBMKTSPGDJL-CYBMUJFWSA-N 0 3 293.382 3.311 20 30 CGEDHN C=CC(C)(C)CC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000895561328 619850062 /nfs/dbraw/zinc/85/00/62/619850062.db2.gz NKZPKTFFLBJMJZ-UHFFFAOYSA-N 0 3 294.351 3.001 20 30 CGEDHN C=CC(C)(C)CCNCc1cn(Cc2ccccc2)nn1 ZINC000895561412 619850133 /nfs/dbraw/zinc/85/01/33/619850133.db2.gz RFHRVLBJDRRDLH-UHFFFAOYSA-N 0 3 284.407 3.018 20 30 CGEDHN Oc1ccc([C@@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000895665946 619867990 /nfs/dbraw/zinc/86/79/90/619867990.db2.gz HFGYVEBEJKWDIN-GOSISDBHSA-N 0 3 277.367 3.233 20 30 CGEDHN C=CCC1(O)CCN(Cc2cc3ccncc3s2)CC1 ZINC000895833902 619894930 /nfs/dbraw/zinc/89/49/30/619894930.db2.gz FHMXCXJAXNVPCQ-UHFFFAOYSA-N 0 3 288.416 3.199 20 30 CGEDHN CC[C@@H]1CCC[C@@H](CNCc2nc(C#N)cs2)C1 ZINC000897628174 620413810 /nfs/dbraw/zinc/41/38/10/620413810.db2.gz DLDXKXPQBOYXIM-VXGBXAGGSA-N 0 3 263.410 3.321 20 30 CGEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989925630 620532779 /nfs/dbraw/zinc/53/27/79/620532779.db2.gz OFQHOPIDXGPTJT-ZBFHGGJFSA-N 0 3 290.432 3.051 20 30 CGEDHN CC(C)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cnn(C)c1 ZINC000927068637 620570145 /nfs/dbraw/zinc/57/01/45/620570145.db2.gz KHWSEOFHKBAXCU-QZTJIDSGSA-N 0 3 294.402 3.266 20 30 CGEDHN C[C@H](NCCCNc1ccccc1)c1cc(C#N)ccn1 ZINC000902808054 621444256 /nfs/dbraw/zinc/44/42/56/621444256.db2.gz BEUBXOPYMIOJPC-AWEZNQCLSA-N 0 3 280.375 3.106 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902956338 621506064 /nfs/dbraw/zinc/50/60/64/621506064.db2.gz HPSYMVYINFITJT-VBNZEHGJSA-N 0 3 287.407 3.196 20 30 CGEDHN C[C@H](NCC1(c2ccccn2)CCC1)c1cc(C#N)ccn1 ZINC000902989001 621513635 /nfs/dbraw/zinc/51/36/35/621513635.db2.gz XRVGFPDNMVVOSH-AWEZNQCLSA-N 0 3 292.386 3.121 20 30 CGEDHN C[C@H](NCC(C)(C)C#N)c1cc2c(cc1O)CCCC2 ZINC000903100579 621573588 /nfs/dbraw/zinc/57/35/88/621573588.db2.gz UIPDALAVRTYZOA-LBPRGKRZSA-N 0 3 272.392 3.471 20 30 CGEDHN N#CC1(CN[C@H](C2CCC2)[C@@H]2CCCO2)CCCC1 ZINC000903109881 621583966 /nfs/dbraw/zinc/58/39/66/621583966.db2.gz WVFNCSSIHOOHGY-LSDHHAIUSA-N 0 3 262.397 3.008 20 30 CGEDHN N#CCCCN[C@@H](c1ccccc1F)C1CCOCC1 ZINC000903148883 621611380 /nfs/dbraw/zinc/61/13/80/621611380.db2.gz WXLMPSKCWVJPCG-MRXNPFEDSA-N 0 3 276.355 3.187 20 30 CGEDHN C=CCC[C@H](NC[C@@]1(OC(C)C)CCOC1)c1ccco1 ZINC000903358294 621714061 /nfs/dbraw/zinc/71/40/61/621714061.db2.gz SSZFCDYMUUACEL-RDJZCZTQSA-N 0 3 293.407 3.461 20 30 CGEDHN CCCc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905083856 622033389 /nfs/dbraw/zinc/03/33/89/622033389.db2.gz GNXFPDAUHYMMGV-RLIURORJSA-N 0 3 267.332 3.072 20 30 CGEDHN CC1/C(=C/c2csc(C(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905087320 622033804 /nfs/dbraw/zinc/03/38/04/622033804.db2.gz XGHNMFHXEPLHCD-UGMXDQQYSA-N 0 3 299.277 3.199 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000912188125 622616261 /nfs/dbraw/zinc/61/62/61/622616261.db2.gz ZYLOPKYNSAYEDH-CVEARBPZSA-N 0 3 290.382 3.173 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000912171088 622616299 /nfs/dbraw/zinc/61/62/99/622616299.db2.gz LWYWMAIIDQTXEY-SJORKVTESA-N 0 3 286.419 3.246 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc(Cl)c1 ZINC000755871447 625630898 /nfs/dbraw/zinc/63/08/98/625630898.db2.gz GDAKUUWFPJHGQX-SNVBAGLBSA-N 0 3 263.772 3.222 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992988634 623774884 /nfs/dbraw/zinc/77/48/84/623774884.db2.gz DNTGPXAPIFLXST-NVXWUHKLSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993619651 624055389 /nfs/dbraw/zinc/05/53/89/624055389.db2.gz BUXCYLKFMDMAHD-GDBMZVCRSA-N 0 3 292.467 3.358 20 30 CGEDHN CC(=NN[C@@H](C)c1ccccc1)c1ccc(N)cc1 ZINC000920383171 624485717 /nfs/dbraw/zinc/48/57/17/624485717.db2.gz SXRSXBABWDGXGA-LBPRGKRZSA-N 0 3 253.349 3.344 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000999367392 625829603 /nfs/dbraw/zinc/82/96/03/625829603.db2.gz ISBYGUPFULDMKD-IYXRBSQSSA-N 0 3 298.858 3.144 20 30 CGEDHN C[C@H](CNCc1csc(C#N)c1)Oc1ccccc1 ZINC000921741117 625859334 /nfs/dbraw/zinc/85/93/34/625859334.db2.gz DJVRAITVEYLASR-GFCCVEGCSA-N 0 3 272.373 3.177 20 30 CGEDHN C=CCN1CC=C(CNC(=O)c2c(C)cc(C)cc2C)CC1 ZINC001001434261 625897534 /nfs/dbraw/zinc/89/75/34/625897534.db2.gz SWSQZIIQWRUSHM-UHFFFAOYSA-N 0 3 298.430 3.160 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001001479529 625898157 /nfs/dbraw/zinc/89/81/57/625898157.db2.gz AGCDNVOSCSIOTL-INIZCTEOSA-N 0 3 290.451 3.137 20 30 CGEDHN CC(C)(CC(F)(F)F)NCc1csc(C#N)c1 ZINC000922035849 625964998 /nfs/dbraw/zinc/96/49/98/625964998.db2.gz DABXKSIOJJFHCO-UHFFFAOYSA-N 0 3 262.300 3.440 20 30 CGEDHN C#CCC1(NCc2cc3n(n2)CCCC3)CCCCC1 ZINC000922980839 626114531 /nfs/dbraw/zinc/11/45/31/626114531.db2.gz FAVGBHJYBHPLEQ-UHFFFAOYSA-N 0 3 271.408 3.035 20 30 CGEDHN C#CCC1(NCc2cc(OCC)c(OC)cc2F)CCC1 ZINC000922999079 626117268 /nfs/dbraw/zinc/11/72/68/626117268.db2.gz OTQNIOXLPUXNPJ-UHFFFAOYSA-N 0 3 291.366 3.269 20 30 CGEDHN C#CCC1(NCc2nc3ccccc3n2CC)CCC1 ZINC000923001565 626118078 /nfs/dbraw/zinc/11/80/78/626118078.db2.gz UJGOQQOCNSJBMM-UHFFFAOYSA-N 0 3 267.376 3.092 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCC2(C#N)CCC2)C1(C)C ZINC000839200548 626331948 /nfs/dbraw/zinc/33/19/48/626331948.db2.gz UYORYZONWUFPLO-OLZOCXBDSA-N 0 3 264.413 3.252 20 30 CGEDHN C[C@H]1CN(C)CC1N=Nc1ccccc1C(F)(F)F ZINC000752158482 626420487 /nfs/dbraw/zinc/42/04/87/626420487.db2.gz ZFMMRVHCCPNPPD-VIFPVBQESA-N 0 3 271.286 3.055 20 30 CGEDHN C[C@H]1CN(C)CC1N=Nc1cccc2ccccc21 ZINC000752164963 626420771 /nfs/dbraw/zinc/42/07/71/626420771.db2.gz NPGXQNGGDCXGNO-LBPRGKRZSA-N 0 3 253.349 3.189 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(C)s1 ZINC000754672065 626581670 /nfs/dbraw/zinc/58/16/70/626581670.db2.gz SXQMCUQCNQQXJF-CYBMUJFWSA-N 0 3 280.437 3.132 20 30 CGEDHN CN(C1CCCC1)C(C)(C)C(=O)OCCC(C)(C)C#N ZINC000754868456 626591414 /nfs/dbraw/zinc/59/14/14/626591414.db2.gz JLQMVCIKVVGLOB-UHFFFAOYSA-N 0 3 280.412 3.122 20 30 CGEDHN C=C[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000756900335 626740181 /nfs/dbraw/zinc/74/01/81/626740181.db2.gz ONEOXCDLUYNJPA-ZDUSSCGKSA-N 0 3 289.379 3.249 20 30 CGEDHN COC(C)(C)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000758816255 626861295 /nfs/dbraw/zinc/86/12/95/626861295.db2.gz WGAFKWXCFNXHIQ-UHFFFAOYSA-N 0 3 296.798 3.099 20 30 CGEDHN C=CCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000760844177 626995977 /nfs/dbraw/zinc/99/59/77/626995977.db2.gz JZJYUBBXYLCMJP-QGZVFWFLSA-N 0 3 289.419 3.464 20 30 CGEDHN C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000760844177 626995981 /nfs/dbraw/zinc/99/59/81/626995981.db2.gz JZJYUBBXYLCMJP-QGZVFWFLSA-N 0 3 289.419 3.464 20 30 CGEDHN C#CCN(Cc1cccc(-c2ccccn2)c1)C1CC1 ZINC000764680743 627218047 /nfs/dbraw/zinc/21/80/47/627218047.db2.gz ABFDXVTVQMCPPD-UHFFFAOYSA-N 0 3 262.356 3.346 20 30 CGEDHN CCC#C[C@H](C)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000765499287 627253917 /nfs/dbraw/zinc/25/39/17/627253917.db2.gz HFABYRRVSOFHSA-AWEZNQCLSA-N 0 3 294.439 3.120 20 30 CGEDHN C(=Nn1cnnc1-c1ccccc1)C1Cc2ccccc2C1 ZINC000766434682 627331289 /nfs/dbraw/zinc/33/12/89/627331289.db2.gz QCDRBOLSYAYOGB-UHFFFAOYSA-N 0 3 288.354 3.194 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)CC(F)(F)F)cc1 ZINC000766477494 627334820 /nfs/dbraw/zinc/33/48/20/627334820.db2.gz CUYGBBZJAVDEPY-QWRGUYRKSA-N 0 3 286.297 3.408 20 30 CGEDHN Cc1cc(CNCc2ccc3c(c2)CCO3)ccc1C#N ZINC000767693341 627430016 /nfs/dbraw/zinc/43/00/16/627430016.db2.gz LROGMXRSADDQDE-UHFFFAOYSA-N 0 3 278.355 3.091 20 30 CGEDHN C=CCN(CC=C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000768138338 627462601 /nfs/dbraw/zinc/46/26/01/627462601.db2.gz SZVDZOBQIVHHEX-AWEZNQCLSA-N 0 3 280.412 3.060 20 30 CGEDHN Clc1ccc(CCCC=Nn2cnnc2)cc1Cl ZINC000768765102 627497237 /nfs/dbraw/zinc/49/72/37/627497237.db2.gz ZEVFUVPTTKEXGF-UHFFFAOYSA-N 0 3 283.162 3.442 20 30 CGEDHN C#CCN(CC)Cc1ccc(N2CCCCC2)cc1 ZINC000769108033 627523524 /nfs/dbraw/zinc/52/35/24/627523524.db2.gz XEOPBGWBDVTTOY-UHFFFAOYSA-N 0 3 256.393 3.132 20 30 CGEDHN C#CCN(Cc1cnn(CCC)c1)C1CCCCC1 ZINC000769145240 627526333 /nfs/dbraw/zinc/52/63/33/627526333.db2.gz FQJCCIDTWKZCOX-UHFFFAOYSA-N 0 3 259.397 3.061 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccccc1N(C)C ZINC000769684406 627572892 /nfs/dbraw/zinc/57/28/92/627572892.db2.gz MAKCPCPADNIIOW-AWEZNQCLSA-N 0 3 279.387 3.475 20 30 CGEDHN CC(C)CNN=C1CCCC[C@H]1N1CCCCC1 ZINC000771558044 627719097 /nfs/dbraw/zinc/71/90/97/627719097.db2.gz SZHNJVCFOPLRIU-OAHLLOKOSA-N 0 3 251.418 3.017 20 30 CGEDHN C#CC[C@H](NC[C@H](O)c1ccccc1F)c1ccccc1 ZINC000775398800 628091047 /nfs/dbraw/zinc/09/10/47/628091047.db2.gz LYZBKZJLVFCVJM-ROUUACIJSA-N 0 3 283.346 3.213 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000775572323 628109211 /nfs/dbraw/zinc/10/92/11/628109211.db2.gz ABPWSNHJMCXEEN-DOPJRALCSA-N 0 3 269.388 3.007 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cc2c(s1)CCC2)[C@@H]1CCCO1 ZINC000775573922 628109886 /nfs/dbraw/zinc/10/98/86/628109886.db2.gz LJKFAWFLCARHGQ-UBHSHLNASA-N 0 3 275.417 3.068 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@H](C)c2ccccc21)[C@@H]1CCCO1 ZINC000775573158 628110021 /nfs/dbraw/zinc/11/00/21/628110021.db2.gz WNNJOPSRPOSHFB-RUGDWHBFSA-N 0 3 269.388 3.395 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000783878244 628754460 /nfs/dbraw/zinc/75/44/60/628754460.db2.gz SPUZFIDZPQJCFS-SNVBAGLBSA-N 0 3 288.782 3.236 20 30 CGEDHN C#C[C@H](NCCc1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000785816709 628889031 /nfs/dbraw/zinc/88/90/31/628889031.db2.gz WJPIVGPVHCQQTN-LSDHHAIUSA-N 0 3 298.213 3.306 20 30 CGEDHN CCCN(CCC)c1ccc(C=NN[C@@H]2CCOC2)cc1 ZINC000788456263 629054254 /nfs/dbraw/zinc/05/42/54/629054254.db2.gz LHPZHVGHIMCYSM-MRXNPFEDSA-N 0 3 289.423 3.025 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCCC[C@@H]2C)n1 ZINC000789761803 629166212 /nfs/dbraw/zinc/16/62/12/629166212.db2.gz JABMHFSVXPKDSV-HOTGVXAUSA-N 0 3 273.424 3.165 20 30 CGEDHN CC(=N[N-]c1[nH+]ccn1C)c1ccc(F)c(Cl)c1 ZINC000790299996 629201172 /nfs/dbraw/zinc/20/11/72/629201172.db2.gz LIGZJOPRQHBDHB-UHFFFAOYSA-N 0 3 266.707 3.049 20 30 CGEDHN C#CC[C@H]1CCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC000862445355 629379878 /nfs/dbraw/zinc/37/98/78/629379878.db2.gz RHGDULURPIQDML-LBPRGKRZSA-N 0 3 286.400 3.150 20 30 CGEDHN C=C(C)CN(CCc1cccs1)Cc1ccc(CO)o1 ZINC000796382550 629773717 /nfs/dbraw/zinc/77/37/17/629773717.db2.gz BRXZOCOKDAEATF-UHFFFAOYSA-N 0 3 291.416 3.454 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCCOC1)c1ccc2ccccc2n1 ZINC000796630014 629807664 /nfs/dbraw/zinc/80/76/64/629807664.db2.gz TXBBKPRXTHIVCT-DZGCQCFKSA-N 0 3 294.354 3.228 20 30 CGEDHN C#CCN(CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000796631657 629807670 /nfs/dbraw/zinc/80/76/70/629807670.db2.gz GETHZARCLPOSLJ-UHFFFAOYSA-N 0 3 292.382 3.151 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2C[C@@H](OC)C2)c([O-])c1 ZINC000864346619 629815029 /nfs/dbraw/zinc/81/50/29/629815029.db2.gz XZFFFBQTVYEFGJ-IAAMMSFFSA-N 0 3 290.407 3.082 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2cccnc2Br)C1 ZINC000865586890 630204418 /nfs/dbraw/zinc/20/44/18/630204418.db2.gz LDQVKVCVGBMARB-JQWIXIFHSA-N 0 3 294.196 3.016 20 30 CGEDHN C#C[C@H](C)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000809683978 630779987 /nfs/dbraw/zinc/77/99/87/630779987.db2.gz UMSJKQJZOHTREX-AWEZNQCLSA-N 0 3 275.355 3.137 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000809729556 630793563 /nfs/dbraw/zinc/79/35/63/630793563.db2.gz VSJCJVYDZBTLIB-IBGZPJMESA-N 0 3 292.382 3.431 20 30 CGEDHN C#C[C@H](NCc1cccc(OCC=C)c1)C(C)(C)C ZINC000809781957 630807236 /nfs/dbraw/zinc/80/72/36/630807236.db2.gz FDHURJBGXHOCKC-INIZCTEOSA-N 0 3 257.377 3.389 20 30 CGEDHN Cc1cccc(C[C@@H](NCc2nc(C#N)cs2)C2CC2)c1 ZINC000810146336 630847066 /nfs/dbraw/zinc/84/70/66/630847066.db2.gz PMGWBWYEOZESKP-MRXNPFEDSA-N 0 3 297.427 3.434 20 30 CGEDHN C=CC[C@H](C)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000878711651 635613719 /nfs/dbraw/zinc/61/37/19/635613719.db2.gz MKJMJLPLQIWBOF-GUYCJALGSA-N 0 3 271.360 3.061 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Cl)cc1C ZINC000876545921 634854164 /nfs/dbraw/zinc/85/41/64/634854164.db2.gz OYMGJRVRVYUZQE-SNVBAGLBSA-N 0 3 273.163 3.057 20 30 CGEDHN C#CCOc1ccc(CNCc2cc(C)cc(OC)c2)cc1 ZINC000127321554 635628399 /nfs/dbraw/zinc/62/83/99/635628399.db2.gz CKKLENIBXHTTGJ-UHFFFAOYSA-N 0 3 295.382 3.305 20 30 CGEDHN C=C(Br)CNC1CC(c2ccccc2)C1 ZINC000127474048 635683115 /nfs/dbraw/zinc/68/31/15/635683115.db2.gz RDARAMDEHPTALR-UHFFFAOYSA-N 0 3 266.182 3.431 20 30 CGEDHN CC1(C)CCC[C@@H]1NN=C1CCCc2ccc(N)cc21 ZINC000814917820 631680855 /nfs/dbraw/zinc/68/08/55/631680855.db2.gz SKFJSRRDIWTIQA-INIZCTEOSA-N 0 3 271.408 3.478 20 30 CGEDHN N#CC(C(=O)[C@H]1CC12CC2)c1ccc2ccccc2n1 ZINC000817714327 632205444 /nfs/dbraw/zinc/20/54/44/632205444.db2.gz QAYFJTLBZLMWOY-CHWSQXEVSA-N 0 3 262.312 3.211 20 30 CGEDHN C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2c1c(F)ccc2[O-] ZINC000818356230 632313984 /nfs/dbraw/zinc/31/39/84/632313984.db2.gz LXANNSSICPKBBH-KQXIARHKSA-N 0 3 274.339 3.361 20 30 CGEDHN C=CCCCCCN1CCO[C@H](C(F)(F)F)CC1 ZINC000880053919 635905740 /nfs/dbraw/zinc/90/57/40/635905740.db2.gz SXSYMJWCNXAKIW-LBPRGKRZSA-N 0 3 265.319 3.386 20 30 CGEDHN C[C@@H]1CN(CCCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880059604 635905220 /nfs/dbraw/zinc/90/52/20/635905220.db2.gz JOXMMGJTGRFJCH-VXGBXAGGSA-N 0 3 292.345 3.358 20 30 CGEDHN C=CCN(C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000823408728 633099952 /nfs/dbraw/zinc/09/99/52/633099952.db2.gz PTMGKQHFZVAACA-CQSZACIVSA-N 0 3 295.448 3.090 20 30 CGEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cccnc1Cl ZINC000866617337 633216042 /nfs/dbraw/zinc/21/60/42/633216042.db2.gz HMROYSYMJZEANH-NHYWBVRUSA-N 0 3 297.789 3.425 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000876602992 634867112 /nfs/dbraw/zinc/86/71/12/634867112.db2.gz IVMCNNXSKWVTIJ-OVGLSYRBSA-N 0 3 284.831 3.026 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1cccc(C)c1C ZINC000876600690 634865730 /nfs/dbraw/zinc/86/57/30/634865730.db2.gz LDBUJFZMPJNCGF-ZDUSSCGKSA-N 0 3 280.799 3.126 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CCCCC1)C1CC1 ZINC000876607289 634866460 /nfs/dbraw/zinc/86/64/60/634866460.db2.gz RUKQTVJASVMYSQ-AWEZNQCLSA-N 0 3 284.831 3.028 20 30 CGEDHN C#C[C@H](C)NCc1ccc(Br)c2cccnc12 ZINC000123131351 633583397 /nfs/dbraw/zinc/58/33/97/633583397.db2.gz DKPBBKUJKWWMAH-JTQLQIEISA-N 0 3 289.176 3.109 20 30 CGEDHN C#CCN(CCc1cccc(C)n1)Cc1ccccc1 ZINC000828536356 633625640 /nfs/dbraw/zinc/62/56/40/633625640.db2.gz GQGCQPOGIPGHSM-UHFFFAOYSA-N 0 3 264.372 3.068 20 30 CGEDHN CC(C)CO[C@H]1C[C@H](NCC2(C#N)CCC2)C1(C)C ZINC000831275638 633936738 /nfs/dbraw/zinc/93/67/38/633936738.db2.gz ANGZKEVEFIUNGN-KBPBESRZSA-N 0 3 264.413 3.110 20 30 CGEDHN C=CC(C)(C)CCCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000872102720 634024334 /nfs/dbraw/zinc/02/43/34/634024334.db2.gz SIQNVGQXYCHQFQ-ZDUSSCGKSA-N 0 3 261.413 3.472 20 30 CGEDHN CCCCCCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000832954324 634105465 /nfs/dbraw/zinc/10/54/65/634105465.db2.gz NOOZHBAAEXJJEI-OAHLLOKOSA-N 0 3 280.456 3.290 20 30 CGEDHN CC1(C)CCC[C@H]1NN=C1CCc2cc(N)ccc21 ZINC000834978222 634301119 /nfs/dbraw/zinc/30/11/19/634301119.db2.gz QTXYENNWDRVDRY-OAHLLOKOSA-N 0 3 257.381 3.087 20 30 CGEDHN C[C@@H](NN=C1CCCC[C@@H]1N1CCCCC1)C(F)(F)F ZINC000834998990 634305911 /nfs/dbraw/zinc/30/59/11/634305911.db2.gz ACFXHGOLYHVFAL-YPMHNXCESA-N 0 3 291.361 3.311 20 30 CGEDHN C=C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835027393 634325532 /nfs/dbraw/zinc/32/55/32/634325532.db2.gz LLEBKUVGXLRWRS-PLNGDYQASA-N 0 3 256.393 3.418 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000835038103 634328655 /nfs/dbraw/zinc/32/86/55/634328655.db2.gz UOPPPUUJEWHPLD-ZOBORPQBSA-N 0 3 293.370 3.186 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CCSC)cc1 ZINC000876641583 634873173 /nfs/dbraw/zinc/87/31/73/634873173.db2.gz PQTRMIDQGPEVSA-CYBMUJFWSA-N 0 3 298.839 3.001 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(F)F)c1 ZINC000876639393 634873412 /nfs/dbraw/zinc/87/34/12/634873412.db2.gz OVOVOFAGVIGLRG-SNVBAGLBSA-N 0 3 274.698 3.033 20 30 CGEDHN C#CCCCCCCN(C)Cc1scnc1C ZINC000876688875 634880898 /nfs/dbraw/zinc/88/08/98/634880898.db2.gz XPIUYYIEQUFATM-UHFFFAOYSA-N 0 3 250.411 3.467 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000876906928 634925890 /nfs/dbraw/zinc/92/58/90/634925890.db2.gz KZVPWMBVZOTGNM-NSHDSACASA-N 0 3 288.725 3.207 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCCc2cccs2)c1 ZINC000877120902 634990151 /nfs/dbraw/zinc/99/01/51/634990151.db2.gz KJDHBWCJTOONDS-UHFFFAOYSA-N 0 3 291.807 3.391 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1CCSC ZINC000877142755 635000833 /nfs/dbraw/zinc/00/08/33/635000833.db2.gz VOFWATVMFSJHSU-LBPRGKRZSA-N 0 3 298.839 3.001 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)CCc1cncc2ccccc21 ZINC000877321554 635025719 /nfs/dbraw/zinc/02/57/19/635025719.db2.gz OAUJYLSXHRYJJU-KBPBESRZSA-N 0 3 267.376 3.305 20 30 CGEDHN C#C[C@@H](NCc1ccc(C(F)F)nc1)C(C)(C)C ZINC000877534856 635076262 /nfs/dbraw/zinc/07/62/62/635076262.db2.gz PGKBZDOFUWOVJW-GFCCVEGCSA-N 0 3 252.308 3.157 20 30 CGEDHN CCOC1(CNCc2cc(C#N)cnc2Cl)CCCC1 ZINC000877552389 635087170 /nfs/dbraw/zinc/08/71/70/635087170.db2.gz SGTYQORVKNNPMO-UHFFFAOYSA-N 0 3 293.798 3.046 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCC2)O1 ZINC000877916474 635268191 /nfs/dbraw/zinc/26/81/91/635268191.db2.gz DBZOHDJEOSQJFI-MRXNPFEDSA-N 0 3 270.376 3.092 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CCC(C)CC1)c1ccccc1 ZINC000877935288 635279481 /nfs/dbraw/zinc/27/94/81/635279481.db2.gz MTELRQZLVQGYMU-SFHVURJKSA-N 0 3 284.403 3.159 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C2CC2)cc1 ZINC000878002248 635315624 /nfs/dbraw/zinc/31/56/24/635315624.db2.gz RTHADHQJWXVRTE-NEWSRXKRSA-N 0 3 296.414 3.480 20 30 CGEDHN C[C@H](NC[C@H]1CC2(CCC2)CO1)c1ccc(C#N)cc1F ZINC000878407185 635491835 /nfs/dbraw/zinc/49/18/35/635491835.db2.gz NAHZXXLIDVYVQC-GXTWGEPZSA-N 0 3 288.366 3.307 20 30 CGEDHN C=CCN(C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878461583 635518360 /nfs/dbraw/zinc/51/83/60/635518360.db2.gz MVNWUDPVTDXUTG-GFCCVEGCSA-N 0 3 260.164 3.145 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1nc(C2CC2)cs1)C(C)(F)F ZINC000842941625 635519775 /nfs/dbraw/zinc/51/97/75/635519775.db2.gz BWLZABYJFSNPBF-CBAPKCEASA-N 0 3 284.331 3.488 20 30 CGEDHN CC(C)(O)[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000879962804 635890064 /nfs/dbraw/zinc/89/00/64/635890064.db2.gz CBEWYODCXHTFAY-HNNXBMFYSA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@H](CCC#N)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000880251064 635956872 /nfs/dbraw/zinc/95/68/72/635956872.db2.gz PQXPEBIXXVSYLD-HZPDHXFCSA-N 0 3 271.408 3.057 20 30 CGEDHN C#CCC1(O)CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000880484484 636008974 /nfs/dbraw/zinc/00/89/74/636008974.db2.gz XGDPUZBDFXTGPU-ONEGZZNKSA-N 0 3 289.806 3.203 20 30 CGEDHN Cc1ccncc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000128491730 636021812 /nfs/dbraw/zinc/02/18/12/636021812.db2.gz MHZGYJLCOKWOCJ-CQSZACIVSA-N 0 3 281.359 3.143 20 30 CGEDHN C=CCC(C)(C)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845727459 636086185 /nfs/dbraw/zinc/08/61/85/636086185.db2.gz BIGTWSRZOCCRII-GFCCVEGCSA-N 0 3 253.386 3.005 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(F)c3cccnc23)C1 ZINC000847021688 636313494 /nfs/dbraw/zinc/31/34/94/636313494.db2.gz AQAARSRSBYPBQH-CYBMUJFWSA-N 0 3 268.335 3.219 20 30 CGEDHN Fc1ccc(N=NC2CCCN3CCCC[C@H]23)cc1 ZINC000848399424 636567424 /nfs/dbraw/zinc/56/74/24/636567424.db2.gz REBSEQZOWJNWCE-OAHLLOKOSA-N 0 3 261.344 3.242 20 30 CGEDHN C=CCC[C@@H](NCc1cn2ccc(C)cc2n1)[C@H]1CCCO1 ZINC000883185932 636571793 /nfs/dbraw/zinc/57/17/93/636571793.db2.gz HJBDOFLJJPBADU-IAGOWNOFSA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@@H](NCc1cn2cc(C)ccc2n1)[C@@H]1CCCO1 ZINC000883186384 636572062 /nfs/dbraw/zinc/57/20/62/636572062.db2.gz QUADDQIFSXTNCB-SJORKVTESA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@H](NCc1cn2ccc(C)cc2n1)[C@H]1CCCO1 ZINC000883185931 636572131 /nfs/dbraw/zinc/57/21/31/636572131.db2.gz HJBDOFLJJPBADU-DLBZAZTESA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@H](NCc1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000883187615 636572181 /nfs/dbraw/zinc/57/21/81/636572181.db2.gz RTLFTAXWFGVXFR-DLBZAZTESA-N 0 3 288.366 3.301 20 30 CGEDHN C=CCCC[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccccc1 ZINC000883207779 636585220 /nfs/dbraw/zinc/58/52/20/636585220.db2.gz SNZCMLSYZBYOTR-GDBMZVCRSA-N 0 3 295.448 3.107 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2scnc2C)cc1 ZINC000132389561 636806290 /nfs/dbraw/zinc/80/62/90/636806290.db2.gz TYDLCIZNYUGZTJ-GFCCVEGCSA-N 0 3 286.400 3.314 20 30 CGEDHN C=CCC1(NCc2ncc(C3OCCO3)s2)CCCC1 ZINC000850388779 637044456 /nfs/dbraw/zinc/04/44/56/637044456.db2.gz MGRGOJKBKBTCSC-UHFFFAOYSA-N 0 3 294.420 3.167 20 30 CGEDHN C=CCOCCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000850532779 637109227 /nfs/dbraw/zinc/10/92/27/637109227.db2.gz XEKIYLIGBYSRFA-OAHLLOKOSA-N 0 3 263.381 3.334 20 30 CGEDHN C#CC[C@H]1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000886356123 637510737 /nfs/dbraw/zinc/51/07/37/637510737.db2.gz UHVLCPRUBCPZIN-SWLSCSKDSA-N 0 3 297.320 3.084 20 30 CGEDHN C#CCC1(NCc2ccc(F)cc2Cl)CCOCC1 ZINC000886381771 637521742 /nfs/dbraw/zinc/52/17/42/637521742.db2.gz RCZTVSGNCOCVRE-UHFFFAOYSA-N 0 3 281.758 3.141 20 30 CGEDHN C[C@@]1(CN2CCC[C@@H](CC#N)C2)CC1(Cl)Cl ZINC000852319738 637633519 /nfs/dbraw/zinc/63/35/19/637633519.db2.gz RFBCXIUSHYSINE-QWRGUYRKSA-N 0 3 261.196 3.196 20 30 CGEDHN C=CC[C@H]1CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000852410913 637648902 /nfs/dbraw/zinc/64/89/02/637648902.db2.gz QGXYRAPRWHWCQM-BLLLJJGKSA-N 0 3 281.346 3.286 20 30 CGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]2C[C@H]2C1 ZINC000852634052 637688006 /nfs/dbraw/zinc/68/80/06/637688006.db2.gz FMPUCKCPTIPXLV-RYUDHWBXSA-N 0 3 276.767 3.084 20 30 CGEDHN C#Cc1cccnc1NC[C@@H](c1ccco1)N(CC)CC ZINC000853235776 637789149 /nfs/dbraw/zinc/78/91/49/637789149.db2.gz MQCKEAYHUCZBLH-HNNXBMFYSA-N 0 3 283.375 3.151 20 30 CGEDHN CC[C@@H]([NH2+]CCCN(C)C(C)C)c1cccc(C#N)c1[O-] ZINC000924616958 638377210 /nfs/dbraw/zinc/37/72/10/638377210.db2.gz HGIMCOXEEATXBA-MRXNPFEDSA-N 0 3 289.423 3.035 20 30 CGEDHN C=CCC[C@H](N[C@H](C)c1cnnn1C)c1ccccc1 ZINC000925578680 638535696 /nfs/dbraw/zinc/53/56/96/638535696.db2.gz HMILFEULMDWONL-HIFRSBDPSA-N 0 3 270.380 3.173 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857915563 638603280 /nfs/dbraw/zinc/60/32/80/638603280.db2.gz HHSFIARYPAKULI-WCQGTBRESA-N 0 3 261.756 3.004 20 30 CGEDHN C#CC[C@H](COC)NCc1ccc(C(F)(F)F)cc1C ZINC000858335599 638685658 /nfs/dbraw/zinc/68/56/58/638685658.db2.gz ZURVERPXLOAUQB-CQSZACIVSA-N 0 3 285.309 3.142 20 30 CGEDHN C#CCCCN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000858367021 638694798 /nfs/dbraw/zinc/69/47/98/638694798.db2.gz HZTNAOCNIPUSMQ-CQSZACIVSA-N 0 3 267.376 3.151 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926153192 638723564 /nfs/dbraw/zinc/72/35/64/638723564.db2.gz MTODDQWEDBISGI-WCBMZHEXSA-N 0 3 279.327 3.355 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000926424501 638770199 /nfs/dbraw/zinc/77/01/99/638770199.db2.gz NSWSNWPWYYMPPO-BBRMVZONSA-N 0 3 291.414 3.346 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926616509 638791296 /nfs/dbraw/zinc/79/12/96/638791296.db2.gz SBYRCDFTVLJMAS-WDMOLILDSA-N 0 3 275.783 3.394 20 30 CGEDHN C=CCOCCCN[C@H]1COCc2cccc(Cl)c21 ZINC000926705891 638801432 /nfs/dbraw/zinc/80/14/32/638801432.db2.gz XUXNAZNWCNBOIO-AWEZNQCLSA-N 0 3 281.783 3.094 20 30 CGEDHN Cc1ncc([C@@H](C)N[C@H](C)CC(C)(C)C#N)s1 ZINC000926784015 638811328 /nfs/dbraw/zinc/81/13/28/638811328.db2.gz CZVADIGZRQBXKR-NXEZZACHSA-N 0 3 251.399 3.431 20 30 CGEDHN CCn1cc(CN(C)CCCCC2(C#N)CCC2)cn1 ZINC000929643635 638936904 /nfs/dbraw/zinc/93/69/04/638936904.db2.gz BYVSCIGKLIEMMR-UHFFFAOYSA-N 0 3 274.412 3.199 20 30 CGEDHN CC[C@]1(C)COCCN1CCCCC1(C#N)CCC1 ZINC000930123159 638976395 /nfs/dbraw/zinc/97/63/95/638976395.db2.gz AIQZYYCKFPEREB-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN N#CC[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000930216318 638983272 /nfs/dbraw/zinc/98/32/72/638983272.db2.gz DPCXLCLKPVXGFA-CVEARBPZSA-N 0 3 292.810 3.435 20 30 CGEDHN CCCCC[C@H](NC[C@H](O)CC#N)c1ccccc1 ZINC000930213214 638983443 /nfs/dbraw/zinc/98/34/43/638983443.db2.gz MOGYYFMRTKBMSI-CVEARBPZSA-N 0 3 260.381 3.172 20 30 CGEDHN CC(C)[C@@H](CC(F)(F)F)NCc1cncc(C#N)c1 ZINC000930250283 638985920 /nfs/dbraw/zinc/98/59/20/638985920.db2.gz YUEFNXHLCOFLMA-GFCCVEGCSA-N 0 3 271.286 3.020 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)[C@@H](C)[C@@H](C)O1 ZINC000930251009 638986080 /nfs/dbraw/zinc/98/60/80/638986080.db2.gz HYCQMDQDJHOYIY-QLFBSQMISA-N 0 3 264.413 3.348 20 30 CGEDHN C[C@@H](CO)[C@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930966971 639091421 /nfs/dbraw/zinc/09/14/21/639091421.db2.gz SFKAENDBIPKUFS-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN C#CC1(O)CCN([C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000931144467 639116522 /nfs/dbraw/zinc/11/65/22/639116522.db2.gz YSCBYNFPQVWWET-OAHLLOKOSA-N 0 3 277.795 3.251 20 30 CGEDHN C#CCN(Cc1cc(=O)oc2cc(OC)ccc12)C(C)(C)C ZINC000932465763 639337618 /nfs/dbraw/zinc/33/76/18/639337618.db2.gz YGJXSYAWNRJWKX-UHFFFAOYSA-N 0 3 299.370 3.035 20 30 CGEDHN C=CCCCN(CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000934647502 639649085 /nfs/dbraw/zinc/64/90/85/639649085.db2.gz PWOYXZJDYXXODY-UHFFFAOYSA-N 0 3 273.336 3.255 20 30 CGEDHN N#Cc1cccc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934688197 639657038 /nfs/dbraw/zinc/65/70/38/639657038.db2.gz UHWXWMINQWSRNE-QGZVFWFLSA-N 0 3 263.344 3.194 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000935985935 639878009 /nfs/dbraw/zinc/87/80/09/639878009.db2.gz QXZDHRCZNRIDJD-CZUORRHYSA-N 0 3 292.398 3.147 20 30 CGEDHN C=CCCC[N@@H+](C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000076738036 640212665 /nfs/dbraw/zinc/21/26/65/640212665.db2.gz QEYDINGXXOUUSF-UHFFFAOYSA-N 0 3 287.359 3.205 20 30 CGEDHN C=CCCC[N@H+](C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000076738036 640212672 /nfs/dbraw/zinc/21/26/72/640212672.db2.gz QEYDINGXXOUUSF-UHFFFAOYSA-N 0 3 287.359 3.205 20 30 CGEDHN C#CCCCCNCc1cc(F)ccc1Br ZINC000090188928 640672119 /nfs/dbraw/zinc/67/21/19/640672119.db2.gz UPIIJOJLAFAJOW-UHFFFAOYSA-N 0 3 284.172 3.481 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015925720 640988109 /nfs/dbraw/zinc/98/81/09/640988109.db2.gz CACPFHVLAWUGOP-CQSZACIVSA-N 0 3 290.407 3.092 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C)C1 ZINC001018024206 641019821 /nfs/dbraw/zinc/01/98/21/641019821.db2.gz PYSUNMOPQIZLBU-VVLHAWIVSA-N 0 3 290.451 3.064 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc21)c1ccccn1 ZINC000115903179 641028379 /nfs/dbraw/zinc/02/83/79/641028379.db2.gz WVZXETQPKAUZCT-GOEBONIOSA-N 0 3 276.339 3.378 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001155801917 805612423 /nfs/dbraw/zinc/61/24/23/805612423.db2.gz BHQGAVISTDHJDL-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN CCN1CCN(c2cc(C#N)c3ccccc3n2)C(C)(C)C1 ZINC001158561604 805966755 /nfs/dbraw/zinc/96/67/55/805966755.db2.gz HVNCFTDWYNQEPO-UHFFFAOYSA-N 0 3 294.402 3.027 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cc(OC)ccn1 ZINC001252136075 806022594 /nfs/dbraw/zinc/02/25/94/806022594.db2.gz LUFAMNSGZWRJDG-MRXNPFEDSA-N 0 3 294.439 3.291 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001252623338 806094014 /nfs/dbraw/zinc/09/40/14/806094014.db2.gz JFCABKMAUFEXJA-DZGCQCFKSA-N 0 3 280.799 3.103 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCc1cncn1C ZINC001252980879 806145199 /nfs/dbraw/zinc/14/51/99/806145199.db2.gz VMKLYXDRGIHWFT-KRWDZBQOSA-N 0 3 295.471 3.401 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)COC[C@@H](CC)CCCC ZINC001253006057 806153215 /nfs/dbraw/zinc/15/32/15/806153215.db2.gz IECQNALTNCIYCN-DLBZAZTESA-N 0 3 283.456 3.254 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ccccn1 ZINC001253230391 806185807 /nfs/dbraw/zinc/18/58/07/806185807.db2.gz YSTKMJNGRVDWDY-INIZCTEOSA-N 0 3 262.397 3.059 20 30 CGEDHN CN(C)Cc1ccnc(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001159918440 806197853 /nfs/dbraw/zinc/19/78/53/806197853.db2.gz BNCYDSBEMOAJMN-QGZVFWFLSA-N 0 3 292.386 3.114 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001160253443 806242658 /nfs/dbraw/zinc/24/26/58/806242658.db2.gz SUXQXTAEKHCAPT-SFHVURJKSA-N 0 3 288.435 3.057 20 30 CGEDHN C[C@@H]1CCc2ccccc2N1CCNCc1ccc(C#N)o1 ZINC001254184874 806360389 /nfs/dbraw/zinc/36/03/89/806360389.db2.gz RVKNOMIQRAROTF-CQSZACIVSA-N 0 3 295.386 3.082 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCC[C@H]1CCC ZINC001161419443 806375843 /nfs/dbraw/zinc/37/58/43/806375843.db2.gz LUJNJCRIRJRLKD-KGLIPLIRSA-N 0 3 286.847 3.051 20 30 CGEDHN N#Cc1coc(CNC2CCN(c3ccc(F)cc3)CC2)c1 ZINC001254621046 806462789 /nfs/dbraw/zinc/46/27/89/806462789.db2.gz AMBXVEOSNPKMLB-UHFFFAOYSA-N 0 3 299.349 3.049 20 30 CGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1[C@H]1CC[C@@H](C#N)C1 ZINC001254648015 806471612 /nfs/dbraw/zinc/47/16/12/806471612.db2.gz WZSWHNZLNQSCLK-GUTXKFCHSA-N 0 3 280.375 3.435 20 30 CGEDHN N#Cc1ccccc1OC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254667230 806479193 /nfs/dbraw/zinc/47/91/93/806479193.db2.gz AERPOBVRRMWAAV-ZBFHGGJFSA-N 0 3 295.386 3.094 20 30 CGEDHN Cc1ncc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)s1 ZINC001162161783 806518638 /nfs/dbraw/zinc/51/86/38/806518638.db2.gz NZRHHOCPOQURRW-VXLYETTFSA-N 0 3 299.403 3.157 20 30 CGEDHN Cc1cnc(NCCP(C(C)C)C(C)C)c(C#N)n1 ZINC001162361890 806565693 /nfs/dbraw/zinc/56/56/93/806565693.db2.gz JQSWEGMDJNVQEK-UHFFFAOYSA-N 0 3 278.340 3.367 20 30 CGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H](C)CCCC ZINC001255328878 806615015 /nfs/dbraw/zinc/61/50/15/806615015.db2.gz NKDFQIFALRCTJW-ZBFHGGJFSA-N 0 3 291.439 3.101 20 30 CGEDHN C#C[C@H](C)Nc1nc(N2CCCC2)cc2ccccc21 ZINC001163161789 806709970 /nfs/dbraw/zinc/70/99/70/806709970.db2.gz YPYRPEFYHUNDFG-ZDUSSCGKSA-N 0 3 265.360 3.269 20 30 CGEDHN C=C(Br)CN[C@H](CC(F)(F)F)C(C)C ZINC000379635886 799350692 /nfs/dbraw/zinc/35/06/92/799350692.db2.gz QZJWKBNUBSPELR-MRVPVSSYSA-N 0 3 274.124 3.462 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(Br)nc1 ZINC000379599382 799351214 /nfs/dbraw/zinc/35/12/14/799351214.db2.gz JIGFTWZIAKFCAS-IUCAKERBSA-N 0 3 255.159 3.069 20 30 CGEDHN C=CC[C@H](CC)NCc1occc1Br ZINC000379603913 799352416 /nfs/dbraw/zinc/35/24/16/799352416.db2.gz OOIJXQYRLBSBMK-VIFPVBQESA-N 0 3 258.159 3.486 20 30 CGEDHN CN1CCN(c2cccc(F)c2C#N)CC12CCCCC2 ZINC001163335294 806742160 /nfs/dbraw/zinc/74/21/60/806742160.db2.gz VADIVPIWDCNRDI-UHFFFAOYSA-N 0 3 287.382 3.152 20 30 CGEDHN Cc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccn1 ZINC000391160343 799476445 /nfs/dbraw/zinc/47/64/45/799476445.db2.gz TTXYYVHDRZONPD-AWEZNQCLSA-N 0 3 281.359 3.143 20 30 CGEDHN C[C@@H](Cc1ccccc1F)NCc1ccccc1C#N ZINC001255831540 806761167 /nfs/dbraw/zinc/76/11/67/806761167.db2.gz SUPNMQZKHQBJDQ-ZDUSSCGKSA-N 0 3 268.335 3.418 20 30 CGEDHN N#Cc1csc(CNCC2CCC3(CC3)CC2)n1 ZINC000695730615 799833656 /nfs/dbraw/zinc/83/36/56/799833656.db2.gz PSTANVFJCAQQFK-UHFFFAOYSA-N 0 3 261.394 3.075 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccc(OC)cc2)cc1 ZINC000809538719 800442898 /nfs/dbraw/zinc/44/28/98/800442898.db2.gz RZJSPPGWJBCAKQ-UHFFFAOYSA-N 0 3 265.356 3.309 20 30 CGEDHN C#C[C@H](OC(=O)C1CCN(C2CC2)CC1)c1ccc(C)cc1 ZINC000860962424 800525278 /nfs/dbraw/zinc/52/52/78/800525278.db2.gz JMRDUFPTGMUEJF-SFHVURJKSA-N 0 3 297.398 3.087 20 30 CGEDHN N#Cc1cc(CNC2([C@@H]3CCCCO3)CCC2)cs1 ZINC000922321542 800617742 /nfs/dbraw/zinc/61/77/42/800617742.db2.gz YHAZZPAFBMZZSK-AWEZNQCLSA-N 0 3 276.405 3.201 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2CCC3(CC3)CC2)CC1 ZINC001005723510 800698241 /nfs/dbraw/zinc/69/82/41/800698241.db2.gz RULMIPNPFRRYHK-UHFFFAOYSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024305870 800722652 /nfs/dbraw/zinc/72/26/52/800722652.db2.gz ZMEQCTHABSPJQB-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C1CCC(C(=O)NC[C@@H]2CCCN2CC=C(C)C)CC1 ZINC001028117983 800831949 /nfs/dbraw/zinc/83/19/49/800831949.db2.gz VGIUONKOORUEDE-KRWDZBQOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCC[C@@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029917580 800878121 /nfs/dbraw/zinc/87/81/21/800878121.db2.gz OLUWKSKTSJKJKS-GOSISDBHSA-N 0 3 286.419 3.076 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C1CC1 ZINC001032393391 800927436 /nfs/dbraw/zinc/92/74/36/800927436.db2.gz WBXIZZVRZPUUNN-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001034180290 801009045 /nfs/dbraw/zinc/00/90/45/801009045.db2.gz GUDHZLGHSGOOLX-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034477689 801028598 /nfs/dbraw/zinc/02/85/98/801028598.db2.gz PDHQQVIVOLZTFG-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038945946 801138368 /nfs/dbraw/zinc/13/83/68/801138368.db2.gz WJTPTKZXBQMWHG-OAHLLOKOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001039897090 801168081 /nfs/dbraw/zinc/16/80/81/801168081.db2.gz UCJZIQAUYKSCQA-JZXOWHBKSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)cccc3C)C[C@@H]21 ZINC001042243177 801203050 /nfs/dbraw/zinc/20/30/50/801203050.db2.gz PVLIEGQXLBYBHN-IRXDYDNUSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@@H]21 ZINC001042344133 801205363 /nfs/dbraw/zinc/20/53/63/801205363.db2.gz SYSIINDOCUIGNI-AEFFLSMTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccsc2Cl)CC1 ZINC001045578285 801280518 /nfs/dbraw/zinc/28/05/18/801280518.db2.gz GQWDUDRDRGCKMG-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001045605097 801281561 /nfs/dbraw/zinc/28/15/61/801281561.db2.gz FNSSBPPFHKAWTR-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001045624539 801283395 /nfs/dbraw/zinc/28/33/95/801283395.db2.gz VQTNAQXWVYYWLX-WKILWMFISA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CC[C@](C)(NC(=O)c2cc(Cl)cs2)C1 ZINC001046675807 801321217 /nfs/dbraw/zinc/32/12/17/801321217.db2.gz UCLXAJZRUXYZDB-AWEZNQCLSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1CC[C@@](C)(NC(=O)c2ccc(F)s2)C1 ZINC001046867472 801331162 /nfs/dbraw/zinc/33/11/62/801331162.db2.gz GVVRPWSSDQZWGI-OAHLLOKOSA-N 0 3 296.411 3.048 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CC)cc1 ZINC001049875937 801390536 /nfs/dbraw/zinc/39/05/36/801390536.db2.gz NKRDVJXRHRSYKX-ZWKOTPCHSA-N 0 3 298.430 3.114 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001050189801 801399406 /nfs/dbraw/zinc/39/94/06/801399406.db2.gz PLBNFAYZSKICBS-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)C3CC(C)C3)cc2C1 ZINC001054261281 801484948 /nfs/dbraw/zinc/48/49/48/801484948.db2.gz WVKNVJFCNLVFTH-UHFFFAOYSA-N 0 3 298.430 3.241 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001080818467 801656783 /nfs/dbraw/zinc/65/67/83/801656783.db2.gz KZHWQIIQCVNTQG-QBPKDAKJSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001081056377 801659866 /nfs/dbraw/zinc/65/98/66/801659866.db2.gz ZJNJCZPNFUACDW-OWCLPIDISA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084809369 801673017 /nfs/dbraw/zinc/67/30/17/801673017.db2.gz KQNYKONRWUMWBA-QZTJIDSGSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085828785 801708572 /nfs/dbraw/zinc/70/85/72/801708572.db2.gz DZLFABXNTULCMZ-IXDOHACOSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCCCNCC=C(Cl)Cl ZINC001164323306 806931547 /nfs/dbraw/zinc/93/15/47/806931547.db2.gz FQUUPLUPBIZQDY-LLVKDONJSA-N 0 3 293.238 3.004 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088487360 801796942 /nfs/dbraw/zinc/79/69/42/801796942.db2.gz XPKNBQSMRJZIPN-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001095983313 801888699 /nfs/dbraw/zinc/88/86/99/801888699.db2.gz WEHPWRBOGISNQX-PMPSAXMXSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cc(C)c1)C2 ZINC001096426947 801891295 /nfs/dbraw/zinc/89/12/95/801891295.db2.gz FGPQTEYXYQEYBD-SQNIBIBYSA-N 0 3 298.430 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(CC)CC ZINC001098921917 801922876 /nfs/dbraw/zinc/92/28/76/801922876.db2.gz LTAZMZZHIXXKBI-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001099122350 801927759 /nfs/dbraw/zinc/92/77/59/801927759.db2.gz YOQRNZIKRMNJBR-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001099175085 801931719 /nfs/dbraw/zinc/93/17/19/801931719.db2.gz DTJZALPRHQTGRX-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC ZINC001099207307 801933520 /nfs/dbraw/zinc/93/35/20/801933520.db2.gz AMTXNPHLKKXGRG-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001099291321 801936798 /nfs/dbraw/zinc/93/67/98/801936798.db2.gz HFJBXQVKTAXWBD-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(C)CCC)C1 ZINC001100625364 801956114 /nfs/dbraw/zinc/95/61/14/801956114.db2.gz BWEUVPXYAUOIQD-UHFFFAOYSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C2(C)CCCCC2)C1 ZINC001100634843 801957777 /nfs/dbraw/zinc/95/77/77/801957777.db2.gz ONUJAAFJALHPJS-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001109046471 802106534 /nfs/dbraw/zinc/10/65/34/802106534.db2.gz QINYTGLTIYIQQQ-SQNIBIBYSA-N 0 3 298.430 3.183 20 30 CGEDHN C=CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC)c1ccccc1 ZINC001110131215 802131049 /nfs/dbraw/zinc/13/10/49/802131049.db2.gz XLHQHOOFUPOWFR-BDXSIMOUSA-N 0 3 298.430 3.088 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC)CCCCC1 ZINC001110135583 802132467 /nfs/dbraw/zinc/13/24/67/802132467.db2.gz KELBUIDWIIUTNE-PMPSAXMXSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110933315 802150020 /nfs/dbraw/zinc/15/00/20/802150020.db2.gz JKEZHGZQIOLZSO-VQHPVUNQSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC(C)C)C2 ZINC001111255860 802159103 /nfs/dbraw/zinc/15/91/03/802159103.db2.gz HBKHXLPZBXWMOC-OAGGEKHMSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001112599229 802180239 /nfs/dbraw/zinc/18/02/39/802180239.db2.gz GONBEGNRMMAJQH-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113229941 802209660 /nfs/dbraw/zinc/20/96/60/802209660.db2.gz UIWVPRWSEIFSEQ-LSDHHAIUSA-N 0 3 280.456 3.025 20 30 CGEDHN C[C@H](NC[C@H](O)CC#N)c1ccc(Cl)c2ccccc21 ZINC001119817958 802701002 /nfs/dbraw/zinc/70/10/02/802701002.db2.gz MCDOSVQXKYZYJY-NWDGAFQWSA-N 0 3 288.778 3.418 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@H]2CCCN2CCF)C1 ZINC001120393490 802743570 /nfs/dbraw/zinc/74/35/70/802743570.db2.gz VPYKSDCSOKLDFM-HZPDHXFCSA-N 0 3 296.430 3.015 20 30 CGEDHN C#C[C@@H](CC)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC001120595776 802751857 /nfs/dbraw/zinc/75/18/57/802751857.db2.gz JSISJBYGQLCKJP-GWCFXTLKSA-N 0 3 272.175 3.028 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001120737640 802770713 /nfs/dbraw/zinc/77/07/13/802770713.db2.gz UPBSHNWTMSGPGR-HNNXBMFYSA-N 0 3 294.826 3.415 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C(C)(C)CC)C2 ZINC001121668740 802840367 /nfs/dbraw/zinc/84/03/67/802840367.db2.gz YJVNCJWKWSRYKS-UHFFFAOYSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1Cc2ccccc2C[C@@H]1CC ZINC001122036102 802858375 /nfs/dbraw/zinc/85/83/75/802858375.db2.gz NULUYXPROUNSIF-DLBZAZTESA-N 0 3 286.419 3.034 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001122218576 802863556 /nfs/dbraw/zinc/86/35/56/802863556.db2.gz VCPFQAIHDOUGRE-MRXNPFEDSA-N 0 3 283.375 3.058 20 30 CGEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CC=CC1 ZINC001122518970 802874107 /nfs/dbraw/zinc/87/41/07/802874107.db2.gz TUHJPKNIYGLCBJ-NSHDSACASA-N 0 3 266.300 3.360 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001122609903 802876727 /nfs/dbraw/zinc/87/67/27/802876727.db2.gz OUQCVADXGRENNM-BYNSBNAKSA-N 0 3 285.391 3.203 20 30 CGEDHN N#CC(C(=O)c1ccoc1)c1nccn1Cc1ccccc1 ZINC001122704585 802880898 /nfs/dbraw/zinc/88/08/98/802880898.db2.gz SQJOGLJSGOGRFL-HNNXBMFYSA-N 0 3 291.310 3.014 20 30 CGEDHN COC(=O)C1(C#N)CCN(C[C@H](C)CCC=C(C)C)CC1 ZINC001201498774 811868661 /nfs/dbraw/zinc/86/86/61/811868661.db2.gz AFJHUYYCFSADDO-OAHLLOKOSA-N 0 3 292.423 3.148 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(C2CC2)c1 ZINC001123232683 802919548 /nfs/dbraw/zinc/91/95/48/802919548.db2.gz BWAWLZAVVJDSDP-INIZCTEOSA-N 0 3 293.370 3.199 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCC1CCCC1 ZINC001123236784 802920625 /nfs/dbraw/zinc/92/06/25/802920625.db2.gz CCEJJEHVGFYTQK-CQSZACIVSA-N 0 3 273.380 3.440 20 30 CGEDHN CC[C@H](F)C(=O)C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001123246743 802922187 /nfs/dbraw/zinc/92/21/87/802922187.db2.gz AYEZSXRFINFBKB-CBAPKCEASA-N 0 3 279.702 3.141 20 30 CGEDHN CC(C)(CC(=O)C(C#N)c1ncc(F)cc1F)C1CC1 ZINC001123475268 802947273 /nfs/dbraw/zinc/94/72/73/802947273.db2.gz DCOVBSDTRYAONY-NSHDSACASA-N 0 3 278.302 3.362 20 30 CGEDHN C=C(C)CCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001126220696 803087252 /nfs/dbraw/zinc/08/72/52/803087252.db2.gz YXDHFPYWDHNGAJ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132244046 803385463 /nfs/dbraw/zinc/38/54/63/803385463.db2.gz FBYDRRUQCSDIAB-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132244048 803386007 /nfs/dbraw/zinc/38/60/07/803386007.db2.gz FBYDRRUQCSDIAB-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132416148 803402669 /nfs/dbraw/zinc/40/26/69/803402669.db2.gz AOUMIVBBPSJVGI-HOTGVXAUSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C1CCC(C(=O)NCCNCc2csc(C)c2)CC1 ZINC001133365536 803470163 /nfs/dbraw/zinc/47/01/63/803470163.db2.gz VVPQYSZAWDDKQX-UHFFFAOYSA-N 0 3 292.448 3.009 20 30 CGEDHN N#Cc1cccc(-c2ncccc2CN2CCCC2)c1F ZINC001245070833 803631328 /nfs/dbraw/zinc/63/13/28/803631328.db2.gz UYORHWZCOHLUNY-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001136449636 803643920 /nfs/dbraw/zinc/64/39/20/803643920.db2.gz OTPZMAKOTNLONP-DOTOQJQBSA-N 0 3 288.435 3.316 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@@H](C(F)F)C2)cc1 ZINC001137120565 803684926 /nfs/dbraw/zinc/68/49/26/803684926.db2.gz UKKYLZANJABYJE-CYBMUJFWSA-N 0 3 280.318 3.066 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3cc(C)ccc3n2)C1 ZINC001137216905 803699303 /nfs/dbraw/zinc/69/93/03/803699303.db2.gz BGFRQXQNBMBTPY-HNNXBMFYSA-N 0 3 264.372 3.388 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)o2)C1 ZINC001138177098 803871689 /nfs/dbraw/zinc/87/16/89/803871689.db2.gz GFBJNBTUROHNRO-OAHLLOKOSA-N 0 3 272.392 3.115 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC[C@]2(CCO2)C1 ZINC001138665744 803996864 /nfs/dbraw/zinc/99/68/64/803996864.db2.gz WISFCRPVWACQJR-SFHVURJKSA-N 0 3 287.403 3.396 20 30 CGEDHN C=C(C)COc1ccccc1CN1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001138667427 803999170 /nfs/dbraw/zinc/99/91/70/803999170.db2.gz XCKLTLABFMEVHL-RDJZCZTQSA-N 0 3 299.414 3.443 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1ccc(OCCO)cc1 ZINC001138796638 804041835 /nfs/dbraw/zinc/04/18/35/804041835.db2.gz MKCGDHDHTFJRRW-UHFFFAOYSA-N 0 3 297.398 3.246 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138952182 804081394 /nfs/dbraw/zinc/08/13/94/804081394.db2.gz MWGGHOCZUBUIIQ-LLVKDONJSA-N 0 3 273.767 3.013 20 30 CGEDHN C=CCOc1ccccc1CN1CCN(CC(C)C)CC1 ZINC001139029028 804112025 /nfs/dbraw/zinc/11/20/25/804112025.db2.gz OBUNNMSCVBPWEC-UHFFFAOYSA-N 0 3 288.435 3.025 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@]2(C1)CCCCO2 ZINC001139028772 804112558 /nfs/dbraw/zinc/11/25/58/804112558.db2.gz BXKIMJBNIDGUCI-GOSISDBHSA-N 0 3 287.403 3.396 20 30 CGEDHN N#CC1CCN(Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139337719 804175050 /nfs/dbraw/zinc/17/50/50/804175050.db2.gz YNAIQBSMCXRIAS-UHFFFAOYSA-N 0 3 266.344 3.281 20 30 CGEDHN C=CCN(Cc1cc(Br)cnc1N)C(C)(C)C ZINC001139451490 804190115 /nfs/dbraw/zinc/19/01/15/804190115.db2.gz HEWIUAWGHPYBOS-UHFFFAOYSA-N 0 3 298.228 3.213 20 30 CGEDHN N#Cc1cccc2c(CN3CC4(CCC4)C3)c[nH]c21 ZINC001139703082 804260859 /nfs/dbraw/zinc/26/08/59/804260859.db2.gz JQUOSBCDEMZFRH-UHFFFAOYSA-N 0 3 251.333 3.025 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001139854973 804300303 /nfs/dbraw/zinc/30/03/03/804300303.db2.gz RCHHSNSVJDPOPD-UHFFFAOYSA-N 0 3 297.406 3.187 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001139854973 804300312 /nfs/dbraw/zinc/30/03/12/804300312.db2.gz RCHHSNSVJDPOPD-UHFFFAOYSA-N 0 3 297.406 3.187 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001139854973 804300318 /nfs/dbraw/zinc/30/03/18/804300318.db2.gz RCHHSNSVJDPOPD-UHFFFAOYSA-N 0 3 297.406 3.187 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001139854973 804300326 /nfs/dbraw/zinc/30/03/26/804300326.db2.gz RCHHSNSVJDPOPD-UHFFFAOYSA-N 0 3 297.406 3.187 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1CCC(C)(C)CC1 ZINC001139869999 804303357 /nfs/dbraw/zinc/30/33/57/804303357.db2.gz VYNDZFPKPDQCCC-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN COc1ccc(CCN(C)Cc2ccc(C#N)cc2F)cc1 ZINC001140139593 804386232 /nfs/dbraw/zinc/38/62/32/804386232.db2.gz XVIVQMXRCQHBFV-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN COC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC001140139532 804386520 /nfs/dbraw/zinc/38/65/20/804386520.db2.gz UXOSXIUDLYBPIA-OAHLLOKOSA-N 0 3 276.355 3.087 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)C2)cn1 ZINC001140543705 804458240 /nfs/dbraw/zinc/45/82/40/804458240.db2.gz RJPDXDDYRJIYJZ-KRWDZBQOSA-N 0 3 277.371 3.333 20 30 CGEDHN CCC(CC)Nc1ccncc1NC(=O)C#CC(C)(C)C ZINC001141520154 804649486 /nfs/dbraw/zinc/64/94/86/804649486.db2.gz FUKLPPIGNBAGLC-UHFFFAOYSA-N 0 3 287.407 3.092 20 30 CGEDHN C=CCCNC(=S)Nc1ccccc1CN1CCCC1 ZINC001247649313 804792360 /nfs/dbraw/zinc/79/23/60/804792360.db2.gz OQSGEYNMNPOEGO-UHFFFAOYSA-N 0 3 289.448 3.145 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143878750 804901905 /nfs/dbraw/zinc/90/19/05/804901905.db2.gz IJSUFPZEJVGFLU-UHFFFAOYSA-N 0 3 275.270 3.212 20 30 CGEDHN N#Cc1cccc(C2CCN(Cc3ccc(O)cn3)CC2)c1 ZINC001144259213 804963297 /nfs/dbraw/zinc/96/32/97/804963297.db2.gz NLFMWTGXULTYTJ-UHFFFAOYSA-N 0 3 293.370 3.038 20 30 CGEDHN CN(Cc1cc2ccc(C#N)cc2[nH]1)C[C@H]1CCCCO1 ZINC001249429204 805146332 /nfs/dbraw/zinc/14/63/32/805146332.db2.gz RRFHFLQHDOQLBD-MRXNPFEDSA-N 0 3 283.375 3.040 20 30 CGEDHN CN(Cc1cc2ccc(C#N)cc2[nH]1)C[C@@H]1CCCCO1 ZINC001249429203 805146546 /nfs/dbraw/zinc/14/65/46/805146546.db2.gz RRFHFLQHDOQLBD-INIZCTEOSA-N 0 3 283.375 3.040 20 30 CGEDHN CO[C@@H]1CCN(Cc2cc3ccc(C#N)cc3[nH]2)[C@@H](C)C1 ZINC001249430824 805148049 /nfs/dbraw/zinc/14/80/49/805148049.db2.gz IDXBFAXFKCTMQE-BLLLJJGKSA-N 0 3 283.375 3.039 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)CC(C)(C)C)C2)C1 ZINC001148342946 805175643 /nfs/dbraw/zinc/17/56/43/805175643.db2.gz NGFUBOBXPDMQDI-OAHLLOKOSA-N 0 3 292.467 3.169 20 30 CGEDHN Cc1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)cc1C#N ZINC001249557973 805176310 /nfs/dbraw/zinc/17/63/10/805176310.db2.gz CWOCKHGCMADVOE-GOSISDBHSA-N 0 3 297.402 3.047 20 30 CGEDHN CCN1CCc2ccc(CN3CCC[C@@H](CC#N)C3)cc21 ZINC001249664158 805206291 /nfs/dbraw/zinc/20/62/91/805206291.db2.gz AENMBWYWGBOWDP-HNNXBMFYSA-N 0 3 283.419 3.195 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001152312849 805344041 /nfs/dbraw/zinc/34/40/41/805344041.db2.gz DJEVDDRYVJDHEO-CQSZACIVSA-N 0 3 292.398 3.119 20 30 CGEDHN CC(=O)CN(C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016809 807027233 /nfs/dbraw/zinc/02/72/33/807027233.db2.gz JIFPSSOXDLQAIC-UHFFFAOYSA-N 0 3 270.376 3.105 20 30 CGEDHN C=C/C(C)=C\CC(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166679574 807080056 /nfs/dbraw/zinc/08/00/56/807080056.db2.gz YOJAWUKJJWUENE-ACAGNQJTSA-N 0 3 296.842 3.137 20 30 CGEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166692580 807084601 /nfs/dbraw/zinc/08/46/01/807084601.db2.gz CGBKTOBKTBNQDN-OCCSQVGLSA-N 0 3 298.858 3.073 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001166728869 807088287 /nfs/dbraw/zinc/08/82/87/807088287.db2.gz FEBXSLVAMBOVQC-CYBMUJFWSA-N 0 3 298.858 3.051 20 30 CGEDHN CCC(C)(C)C1CCC([NH2+][C@@H](CC(C)C)C(=O)N[O-])CC1 ZINC001257406234 807141249 /nfs/dbraw/zinc/14/12/49/807141249.db2.gz YKQLEIMAERUZMG-NRXISQOPSA-N 0 3 298.471 3.491 20 30 CGEDHN COCC#CCN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC001167478067 807196820 /nfs/dbraw/zinc/19/68/20/807196820.db2.gz KREITHGHCFAMMV-SJLPKXTDSA-N 0 3 271.404 3.418 20 30 CGEDHN CC(C)(C)C#CCN[C@H]1COc2ccc(Cl)cc2C1 ZINC001257953180 807254566 /nfs/dbraw/zinc/25/45/66/807254566.db2.gz OLAKYPMWIAEOKE-CQSZACIVSA-N 0 3 277.795 3.283 20 30 CGEDHN CCCCCCC[C@H](C)N1CC[C@](F)(C(=O)OC)C1 ZINC001258044278 807274411 /nfs/dbraw/zinc/27/44/11/807274411.db2.gz KVGNEXICAZPBHV-DZGCQCFKSA-N 0 3 273.392 3.322 20 30 CGEDHN CCC#C[C@H](C)N1CCC(Nc2ccccc2)CC1 ZINC001168083507 807306974 /nfs/dbraw/zinc/30/69/74/807306974.db2.gz AISCBMMWXWTIIZ-HNNXBMFYSA-N 0 3 256.393 3.365 20 30 CGEDHN CCCCC[C@@H](CCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258666839 807534524 /nfs/dbraw/zinc/53/45/24/807534524.db2.gz JVZAIXWOFCIJAA-MJBXVCDLSA-N 0 3 272.433 3.245 20 30 CGEDHN C=CC[C@@H](C)N1CCO[C@H](CCc2ccccc2)C1 ZINC001169080921 807570065 /nfs/dbraw/zinc/57/00/65/807570065.db2.gz XKVAZTHCZMWFQD-NVXWUHKLSA-N 0 3 259.393 3.285 20 30 CGEDHN C=CCC[C@H](C)N1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001258728938 807576677 /nfs/dbraw/zinc/57/66/77/807576677.db2.gz RJOAXUGXSVLZGF-SOUVJXGZSA-N 0 3 294.439 3.425 20 30 CGEDHN C=CCC[C@@H](C)N1CC2(CCN2Cc2ccccc2)C1 ZINC001258733431 807578740 /nfs/dbraw/zinc/57/87/40/807578740.db2.gz DOZLYSMZMTWFTN-MRXNPFEDSA-N 0 3 270.420 3.301 20 30 CGEDHN C=CCC[C@H](C)N1CCOC[C@H]1Cc1ccccc1 ZINC001258734010 807580696 /nfs/dbraw/zinc/58/06/96/807580696.db2.gz QBHWIKXMCNJDMN-DOTOQJQBSA-N 0 3 259.393 3.285 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)cc1OC ZINC001169832428 807713364 /nfs/dbraw/zinc/71/33/64/807713364.db2.gz IBKDYCPNJJWMHR-UHFFFAOYSA-N 0 3 296.842 3.288 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H]1COC2(CCCCC2)O1 ZINC001169862100 807716945 /nfs/dbraw/zinc/71/69/45/807716945.db2.gz DNLICXHBNFLPQJ-GJZGRUSLSA-N 0 3 265.397 3.103 20 30 CGEDHN CCOC1CC(N(C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC001170723241 807884805 /nfs/dbraw/zinc/88/48/05/807884805.db2.gz PXZRLJSTVNCJKR-UHFFFAOYSA-N 0 3 278.783 3.211 20 30 CGEDHN N#CCC1(N[C@@H]2CCc3cccc(F)c3C2)CCCC1 ZINC001170978040 807950351 /nfs/dbraw/zinc/95/03/51/807950351.db2.gz RXTMGQWLGUNDJP-CQSZACIVSA-N 0 3 272.367 3.499 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC12CC2)c1nc2c(cccc2Cl)[nH]1 ZINC001263619874 807979660 /nfs/dbraw/zinc/97/96/60/807979660.db2.gz FYCNSMGTFSFJCS-IUCAKERBSA-N 0 3 285.734 3.193 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C2CC2)s1 ZINC001171095572 807982629 /nfs/dbraw/zinc/98/26/29/807982629.db2.gz LLVHECVOHOLKRM-UHFFFAOYSA-N 0 3 298.839 3.088 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171105047 807985400 /nfs/dbraw/zinc/98/54/00/807985400.db2.gz NRANKAALRWAURF-CQSZACIVSA-N 0 3 260.768 3.091 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1noc2ccccc21 ZINC001171193334 808005750 /nfs/dbraw/zinc/00/57/50/808005750.db2.gz WEHYOKFKKOKCLI-ZDUSSCGKSA-N 0 3 291.354 3.420 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCCC[C@@H](F)C1 ZINC001171203727 808009642 /nfs/dbraw/zinc/00/96/42/808009642.db2.gz PGYAFILBEHMSNY-XJKSGUPXSA-N 0 3 260.356 3.313 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)Nc1cccc(CN)n1 ZINC001171376158 808039106 /nfs/dbraw/zinc/03/91/06/808039106.db2.gz OXYNMKGBRUDTSI-CYBMUJFWSA-N 0 3 283.375 3.278 20 30 CGEDHN N#CC1(CN[C@H]2CCc3c(F)cccc3C2)CCCC1 ZINC001171393995 808043767 /nfs/dbraw/zinc/04/37/67/808043767.db2.gz RTTDCDTVCXSERH-AWEZNQCLSA-N 0 3 272.367 3.357 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)CCC)CC(C)(C)C1 ZINC001264195242 808047656 /nfs/dbraw/zinc/04/76/56/808047656.db2.gz OVXJDDDNQWIIJK-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CCCC)CCCC1 ZINC001264382647 808065732 /nfs/dbraw/zinc/06/57/32/808065732.db2.gz MSEGZFGEKJRMJT-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(CC=C(C)C)[C@@H]2C)CCC1 ZINC001264717777 808088458 /nfs/dbraw/zinc/08/84/58/808088458.db2.gz KTZUZZXARWKDFI-CVEARBPZSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C(CC)(CC)CC)CC1 ZINC001265198547 808118155 /nfs/dbraw/zinc/11/81/55/808118155.db2.gz ANSRFMCZIFQMMG-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCCN1CCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001265202030 808119552 /nfs/dbraw/zinc/11/95/52/808119552.db2.gz ZQEWBGCOZDURNX-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN CC1(C)C[C@@H](N2CCC(C#N)(c3ccccc3)CC2)CO1 ZINC001172284543 808214222 /nfs/dbraw/zinc/21/42/22/808214222.db2.gz UDQNJIVHFMJJFW-MRXNPFEDSA-N 0 3 284.403 3.111 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@](C)(F)C1 ZINC001172314264 808224288 /nfs/dbraw/zinc/22/42/88/808224288.db2.gz IIIGKJGCCKYNBT-CJNGLKHVSA-N 0 3 260.356 3.313 20 30 CGEDHN C#CCNCCN(C)C(=O)[C@H](CCC)CC1CCCCC1 ZINC001266852631 808324247 /nfs/dbraw/zinc/32/42/47/808324247.db2.gz UGWCHNGGCVQHTF-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN(C)CCNC(=O)[C@H](CC)CC1CCCCC1 ZINC001267220201 808386753 /nfs/dbraw/zinc/38/67/53/808386753.db2.gz LQIUMYYWFRBYNS-MRXNPFEDSA-N 0 3 280.456 3.217 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1cccc(F)c1)c1ccccc1 ZINC001267345192 808419264 /nfs/dbraw/zinc/41/92/64/808419264.db2.gz CEZIRQKELPQYRM-KRWDZBQOSA-N 0 3 298.361 3.072 20 30 CGEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001267711268 808474177 /nfs/dbraw/zinc/47/41/77/808474177.db2.gz POWKBCYGHRGVEO-IRXDYDNUSA-N 0 3 290.451 3.045 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](C)C2CCCC2)C1 ZINC001267789692 808493951 /nfs/dbraw/zinc/49/39/51/808493951.db2.gz JZFWJISJMQDCEF-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCC1(C#N)CC1 ZINC001173075748 808502368 /nfs/dbraw/zinc/50/23/68/808502368.db2.gz DQAFEQXASKWLHC-NSHDSACASA-N 0 3 298.308 3.410 20 30 CGEDHN C=CCN(CC=C)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173064410 808503029 /nfs/dbraw/zinc/50/30/29/808503029.db2.gz GCNIKAPRGHKXDB-LSDHHAIUSA-N 0 3 294.439 3.448 20 30 CGEDHN Cc1nc2ccc(Nc3ccc(C#N)nc3C)cc2[nH]1 ZINC001213072148 815218958 /nfs/dbraw/zinc/21/89/58/815218958.db2.gz FFTAQKVNNOVZOP-UHFFFAOYSA-N 0 3 263.304 3.190 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@@H](C)c1ccccc1F ZINC001268659639 808605735 /nfs/dbraw/zinc/60/57/35/808605735.db2.gz YIURDCASVWMXMW-OLZOCXBDSA-N 0 3 292.398 3.193 20 30 CGEDHN C=CCOC1CCC(N2CCC[C@H]2c2ncccn2)CC1 ZINC001173325644 808612497 /nfs/dbraw/zinc/61/24/97/808612497.db2.gz OOYLOBFQQJSORO-GPANFISMSA-N 0 3 287.407 3.127 20 30 CGEDHN N#CCC1CCC(N2CC3(C2)CC(F)(F)CS3)CC1 ZINC001173337441 808618625 /nfs/dbraw/zinc/61/86/25/808618625.db2.gz KMBVYXZLOWIKOH-UHFFFAOYSA-N 0 3 286.391 3.285 20 30 CGEDHN CCCCN(CCC#N)[C@H](C)CCCCC(=O)OC ZINC001173454598 808639808 /nfs/dbraw/zinc/63/98/08/808639808.db2.gz GQYZATTTZRYAGD-CQSZACIVSA-N 0 3 268.401 3.124 20 30 CGEDHN CC(C)(C)OC(=O)[C@@H]1CCCN1C1CCC(C)(C#N)CC1 ZINC001173600187 808651145 /nfs/dbraw/zinc/65/11/45/808651145.db2.gz WQVGQZGXONCFAC-UUCFBXCCSA-N 0 3 292.423 3.265 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC001269293081 808665340 /nfs/dbraw/zinc/66/53/40/808665340.db2.gz UYTLTFIYHDCRKN-DBEXCURXSA-N 0 3 298.430 3.247 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H](F)CC ZINC001272675082 808820130 /nfs/dbraw/zinc/82/01/30/808820130.db2.gz GHTISZIWZCSZCE-INIZCTEOSA-N 0 3 292.398 3.059 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001276608947 809021081 /nfs/dbraw/zinc/02/10/81/809021081.db2.gz TXXGZPIBIGCRFA-QAPCUYQASA-N 0 3 292.467 3.382 20 30 CGEDHN Cc1cnccc1Nc1cc(Br)cc(C#N)c1 ZINC001174539098 809071479 /nfs/dbraw/zinc/07/14/79/809071479.db2.gz CKDVXSLAMYAAHC-UHFFFAOYSA-N 0 3 288.148 3.190 20 30 CGEDHN Cc1cnccc1Nc1c(Br)cccc1C#N ZINC001174539846 809072668 /nfs/dbraw/zinc/07/26/68/809072668.db2.gz SMPXLVKZRYLQCM-UHFFFAOYSA-N 0 3 288.148 3.190 20 30 CGEDHN Cc1cnccc1Nc1ccc(Br)c(C#N)c1 ZINC001174540037 809072794 /nfs/dbraw/zinc/07/27/94/809072794.db2.gz SEUSAGQJAUVMKX-UHFFFAOYSA-N 0 3 288.148 3.190 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H](C)N[C@H](C)c1ccccc1F ZINC001277770717 809094223 /nfs/dbraw/zinc/09/42/23/809094223.db2.gz HTANYRWVNYSEFD-UONOGXRCSA-N 0 3 292.398 3.289 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCCC2(CC2)C1)C(C)C ZINC001278908735 809155744 /nfs/dbraw/zinc/15/57/44/809155744.db2.gz XJRHEZGYOHNAGE-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC[C@@H](C)CC)C1 ZINC001279302030 809169721 /nfs/dbraw/zinc/16/97/21/809169721.db2.gz VALOCULYQZVCEE-XGNXJENSSA-N 0 3 286.847 3.144 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CCCC ZINC001279539942 809173157 /nfs/dbraw/zinc/17/31/57/809173157.db2.gz DXZQAWNFQRJGKV-IXDOHACOSA-N 0 3 292.467 3.454 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)CCCC[C@H](C)CC)CC1 ZINC001280747560 809197860 /nfs/dbraw/zinc/19/78/60/809197860.db2.gz SHEYIQCOTCBANC-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCN1Cc2ccc(CNC(=O)C(C)C)cc2C1 ZINC001281284745 809207088 /nfs/dbraw/zinc/20/70/88/809207088.db2.gz HWDMTCYEWRXNKQ-UHFFFAOYSA-N 0 3 286.419 3.241 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001282666163 809258568 /nfs/dbraw/zinc/25/85/68/809258568.db2.gz JIWFZOWVQAIJBB-FUHWJXTLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001282740983 809261558 /nfs/dbraw/zinc/26/15/58/809261558.db2.gz PTSMZVYRKJTBJA-WBVHZDCISA-N 0 3 294.483 3.461 20 30 CGEDHN C=C1CCC(C(=O)N(CCN(C)C)C2CCCCC2)CC1 ZINC001292873103 809439306 /nfs/dbraw/zinc/43/93/06/809439306.db2.gz YMEJJICBFHQUDU-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001177197323 809787042 /nfs/dbraw/zinc/78/70/42/809787042.db2.gz XAVSGEORJXJONS-MRXNPFEDSA-N 0 3 298.858 3.361 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001177211987 809788539 /nfs/dbraw/zinc/78/85/39/809788539.db2.gz NIKIZXBRNIWGDK-UHFFFAOYSA-N 0 3 298.858 3.051 20 30 CGEDHN C=CC[C@@H]1N(Cc2ccn(CC)n2)CCCC1(C)C ZINC001181297055 810046928 /nfs/dbraw/zinc/04/69/28/810046928.db2.gz KOWOLVIAPDFBAU-HNNXBMFYSA-N 0 3 261.413 3.470 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCC[C@@H](C)CCC)[C@@H]2C1 ZINC001188043398 810445289 /nfs/dbraw/zinc/44/52/89/810445289.db2.gz JTTLZDWMWQBXFH-YESZJQIVSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(CC=C)CCCCC2)C1 ZINC001194183942 811030206 /nfs/dbraw/zinc/03/02/06/811030206.db2.gz WTJPPLOWRGRUQG-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194184145 811030977 /nfs/dbraw/zinc/03/09/77/811030977.db2.gz ZCYCOWYAZGNOAP-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCCN1CCCN(C(=O)CCC[C@@H](C)CCC)CC1 ZINC001195989879 811308079 /nfs/dbraw/zinc/30/80/79/811308079.db2.gz GOUCLFUQAIFNHM-KRWDZBQOSA-N 0 3 292.467 3.151 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC001196310979 811332551 /nfs/dbraw/zinc/33/25/51/811332551.db2.gz CALXQXFTVRCZRR-UONOGXRCSA-N 0 3 257.377 3.464 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001196731869 811360875 /nfs/dbraw/zinc/36/08/75/811360875.db2.gz KCNAJEGGGYRPNP-BQYQJAHWSA-N 0 3 278.440 3.089 20 30 CGEDHN C#CCCN1CCCN(C(=O)CCCCCCCC)CC1 ZINC001197928809 811464731 /nfs/dbraw/zinc/46/47/31/811464731.db2.gz UHXAZCDLCRFYFK-UHFFFAOYSA-N 0 3 292.467 3.295 20 30 CGEDHN C=CCCCN(CC)Cc1cnnn1-c1ccccc1 ZINC001198457616 811505363 /nfs/dbraw/zinc/50/53/63/811505363.db2.gz FFZAUUQTKMKXHI-UHFFFAOYSA-N 0 3 270.380 3.055 20 30 CGEDHN C#C[C@@H]1CCCCN1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001198523978 811511595 /nfs/dbraw/zinc/51/15/95/811511595.db2.gz BHYFPHKDUWMVGO-FGTMMUONSA-N 0 3 269.388 3.394 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCO[C@@H](c3ccccc3)CC2)C1 ZINC001198708550 811536770 /nfs/dbraw/zinc/53/67/70/811536770.db2.gz ZDYWKVHIJVKKAQ-DJIMGWMZSA-N 0 3 270.376 3.142 20 30 CGEDHN CCCCCCCCCN1CCN(C(C)=O)[C@H](C)C1 ZINC001201852780 811972603 /nfs/dbraw/zinc/97/26/03/811972603.db2.gz LHTHNIJCJCCOIT-OAHLLOKOSA-N 0 3 268.445 3.290 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001202980587 812213315 /nfs/dbraw/zinc/21/33/15/812213315.db2.gz VNTRJDGUNLKUTP-ZIAGYGMSSA-N 0 3 296.842 3.112 20 30 CGEDHN C#Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001203536473 812386864 /nfs/dbraw/zinc/38/68/64/812386864.db2.gz VBQVTLSCDMASPA-CYBMUJFWSA-N 0 3 251.329 3.224 20 30 CGEDHN N#Cc1cccc(CN2CCC(Cc3ccncc3)CC2)c1 ZINC001203764623 812458001 /nfs/dbraw/zinc/45/80/01/812458001.db2.gz VZFAMPHVJJDFIX-UHFFFAOYSA-N 0 3 291.398 3.408 20 30 CGEDHN Cc1cccc(CN2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001203892810 812483454 /nfs/dbraw/zinc/48/34/54/812483454.db2.gz SZPDVUQPRQJTJU-UHFFFAOYSA-N 0 3 291.398 3.189 20 30 CGEDHN CC1(C#N)CCN(Cc2c[nH]c3ccccc23)CC1 ZINC001204048170 812533496 /nfs/dbraw/zinc/53/34/96/812533496.db2.gz KQQKSEULYAATNJ-UHFFFAOYSA-N 0 3 253.349 3.294 20 30 CGEDHN CC(=O)n1cc(CN2CCC(S)CC2)c2ccccc21 ZINC001204411007 812632687 /nfs/dbraw/zinc/63/26/87/812632687.db2.gz UGEFVASRXXBXBZ-UHFFFAOYSA-N 0 3 288.416 3.196 20 30 CGEDHN COCCN(C)Cc1ccnc(-c2ccc(C)cc2C#N)c1 ZINC001242591323 823049703 /nfs/dbraw/zinc/04/97/03/823049703.db2.gz OWCWTNWTOTWTNA-UHFFFAOYSA-N 0 3 295.386 3.007 20 30 CGEDHN C=C(C)CO[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001206750390 813419969 /nfs/dbraw/zinc/41/99/69/813419969.db2.gz HZTAVTSHZKHILA-CABCVRRESA-N 0 3 260.381 3.200 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001208015790 813686224 /nfs/dbraw/zinc/68/62/24/813686224.db2.gz AOFQOOMORPIEBX-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN CC/C=C\CCCN1CCN(c2cccc(C#N)c2)CC1 ZINC001208139417 813703963 /nfs/dbraw/zinc/70/39/63/813703963.db2.gz ZVGFDNNTLFOZHP-ARJAWSKDSA-N 0 3 283.419 3.427 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCN(CCC)CC2)CC1 ZINC001208176528 813729527 /nfs/dbraw/zinc/72/95/27/813729527.db2.gz FVIGAJBNGVZHNG-QGZVFWFLSA-N 0 3 262.441 3.317 20 30 CGEDHN CC(C)Oc1ncccc1CCN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001208800264 813851914 /nfs/dbraw/zinc/85/19/14/813851914.db2.gz LNBXSVZPVNRGBJ-XGBSXSJOSA-N 0 3 299.418 3.178 20 30 CGEDHN C=CCN(CCN(C)Cc1ccc(C)cc1)C(=O)OCC ZINC001209020680 813917204 /nfs/dbraw/zinc/91/72/04/813917204.db2.gz AKRRIQYQFNJSRQ-UHFFFAOYSA-N 0 3 290.407 3.071 20 30 CGEDHN C=CCCCN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001209162550 813953047 /nfs/dbraw/zinc/95/30/47/813953047.db2.gz IMAUIELXYYJQMK-GASCZTMLSA-N 0 3 294.439 3.426 20 30 CGEDHN C=CCCCCN1CCc2cc3c(cc2C1)OCO3 ZINC001209201631 813965476 /nfs/dbraw/zinc/96/54/76/813965476.db2.gz ORKYPCVILUULGZ-UHFFFAOYSA-N 0 3 259.349 3.130 20 30 CGEDHN C=CCCCCCCCN1CCN(c2ccncn2)CC1 ZINC001209441852 814041319 /nfs/dbraw/zinc/04/13/19/814041319.db2.gz LJJIUKPPVVCWJQ-UHFFFAOYSA-N 0 3 288.439 3.125 20 30 CGEDHN C=CCCCCCCCCN1CCN(CCF)CC1 ZINC001209446107 814046387 /nfs/dbraw/zinc/04/63/87/814046387.db2.gz QXUVPXLCOZJWRY-UHFFFAOYSA-N 0 3 270.436 3.490 20 30 CGEDHN C=CCN(Cc1nn(C)c2ccccc12)C(C)(C)C ZINC001209585726 814090737 /nfs/dbraw/zinc/09/07/37/814090737.db2.gz WTCHEUKVBCOKES-UHFFFAOYSA-N 0 3 257.381 3.360 20 30 CGEDHN C[C@H]1CC(=O)C=C(c2ccnc3[nH]cc(CN(C)C)c32)C1 ZINC001242745702 823120761 /nfs/dbraw/zinc/12/07/61/823120761.db2.gz WHYVEOLMGHVDIK-LLVKDONJSA-N 0 3 283.375 3.007 20 30 CGEDHN CCCCCCCC[C@@H](C)OC[C@@H]1CNCCO1 ZINC001217889395 815990505 /nfs/dbraw/zinc/99/05/05/815990505.db2.gz BHXCEIVOMSHXDQ-CABCVRRESA-N 0 3 257.418 3.131 20 30 CGEDHN C=C[C@@H](CCCCCC)OC[C@@H]1COC(C)(C)N1 ZINC001217896134 815994765 /nfs/dbraw/zinc/99/47/65/815994765.db2.gz OSWUQYLXIHGFIM-KGLIPLIRSA-N 0 3 255.402 3.253 20 30 CGEDHN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@@H]1COC(C)(C)N1 ZINC001217895400 815995337 /nfs/dbraw/zinc/99/53/37/815995337.db2.gz APHIFLFRIAOTIV-LJISPDSOSA-N 0 3 267.413 3.108 20 30 CGEDHN C=CCCO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224339174 816782011 /nfs/dbraw/zinc/78/20/11/816782011.db2.gz FRYONPVSQQXVOW-LSDHHAIUSA-N 0 3 260.381 3.200 20 30 CGEDHN CCN1CCC[C@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550351 817393560 /nfs/dbraw/zinc/39/35/60/817393560.db2.gz PMVBMMVIKFOJCB-AWEZNQCLSA-N 0 3 287.407 3.114 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001231171198 818050742 /nfs/dbraw/zinc/05/07/42/818050742.db2.gz YWJBFTSKIZKFOL-FUHWJXTLSA-N 0 3 298.430 3.173 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001231169576 818050788 /nfs/dbraw/zinc/05/07/88/818050788.db2.gz JIMAATBFCFVOAJ-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@H]2c2ccncc2)c1 ZINC001231659038 818149936 /nfs/dbraw/zinc/14/99/36/818149936.db2.gz DTYPXYSAOAMBML-SFHVURJKSA-N 0 3 262.356 3.400 20 30 CGEDHN C#Cc1cccc(CN(C)Cc2ccc(F)cc2)c1 ZINC001231657181 818150243 /nfs/dbraw/zinc/15/02/43/818150243.db2.gz YNAPBFKSDDYXEB-UHFFFAOYSA-N 0 3 253.320 3.439 20 30 CGEDHN C#Cc1cccc(CN2CCC(CC)(C(=O)OCC)CC2)c1 ZINC001231661101 818152523 /nfs/dbraw/zinc/15/25/23/818152523.db2.gz NMKROQBTXYVYBR-UHFFFAOYSA-N 0 3 299.414 3.223 20 30 CGEDHN C=CCCCCN(C)Cc1cccc2c1OCCO2 ZINC001231886712 818202244 /nfs/dbraw/zinc/20/22/44/818202244.db2.gz XZCDNVCKHIBHBK-UHFFFAOYSA-N 0 3 261.365 3.246 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)c(Cl)c2)CCC[C@@]1(C)O ZINC001232111198 818258306 /nfs/dbraw/zinc/25/83/06/818258306.db2.gz BRFVGJGFCVBDNZ-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN Cc1c(F)cc(CN2CCC3SC(=O)C=C3C2)cc1F ZINC001232421823 818344364 /nfs/dbraw/zinc/34/43/64/818344364.db2.gz PBIWUDYYEHPSHE-CQSZACIVSA-N 0 3 295.354 3.047 20 30 CGEDHN C#CC1CCN(Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232463873 818358398 /nfs/dbraw/zinc/35/83/98/818358398.db2.gz RXDXMKAOQYXLSL-UHFFFAOYSA-N 0 3 273.767 3.062 20 30 CGEDHN N#CC1CCN(Cc2cccc3ncsc32)CC1 ZINC001232734081 818427569 /nfs/dbraw/zinc/42/75/69/818427569.db2.gz PDJYAEAYOKFYRJ-UHFFFAOYSA-N 0 3 257.362 3.032 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233562317 818643540 /nfs/dbraw/zinc/64/35/40/818643540.db2.gz YJNPMMBEHBLAPO-OBHDYHNASA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233682896 818679812 /nfs/dbraw/zinc/67/98/12/818679812.db2.gz KTEJLJZCSZOPFC-HNNXBMFYSA-N 0 3 294.414 3.283 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234089633 818775914 /nfs/dbraw/zinc/77/59/14/818775914.db2.gz VDSKYOJYAFPFLT-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C[C@H](CC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657529 818907328 /nfs/dbraw/zinc/90/73/28/818907328.db2.gz DMUTYFYCYQRQMD-MRXNPFEDSA-N 0 3 274.408 3.172 20 30 CGEDHN C#C[C@H](CCC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657711 818908207 /nfs/dbraw/zinc/90/82/07/818908207.db2.gz GWYDJIBHRDOYOD-QGZVFWFLSA-N 0 3 286.419 3.009 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235190343 819029556 /nfs/dbraw/zinc/02/95/56/819029556.db2.gz BEPQINAQKNODLK-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4ccoc43)CCC2S1 ZINC001236729215 819583515 /nfs/dbraw/zinc/58/35/15/819583515.db2.gz GLSNFDUNLCEVKO-CQSZACIVSA-N 0 3 285.368 3.207 20 30 CGEDHN CCCN(Cc1cc(C#N)c(F)cc1F)C1CCOCC1 ZINC001237536578 819773634 /nfs/dbraw/zinc/77/36/34/819773634.db2.gz MYGCTBQAHGUWGR-UHFFFAOYSA-N 0 3 294.345 3.227 20 30 CGEDHN COc1ccc(-c2ccc(OCC#N)cc2)cc1CN(C)C ZINC001243592181 823459877 /nfs/dbraw/zinc/45/98/77/823459877.db2.gz FQGQFOQOHCFZES-UHFFFAOYSA-N 0 3 296.370 3.326 20 30 CGEDHN N#Cc1ncc(-c2cccc(CN3CCCC3)c2F)cc1F ZINC001238994395 820187023 /nfs/dbraw/zinc/18/70/23/820187023.db2.gz BAGNLXXNJYPDDU-UHFFFAOYSA-N 0 3 299.324 3.494 20 30 CGEDHN CCCCCCCCCOC(=O)N[C@H]1CCNC[C@H]1F ZINC001239315837 820263446 /nfs/dbraw/zinc/26/34/46/820263446.db2.gz ZVSUOEGYOWNWLU-KGLIPLIRSA-N 0 3 288.407 3.163 20 30 CGEDHN CCCCCCCCOC(=O)NC[C@@H]1CCNC[C@@H]1F ZINC001239320702 820267397 /nfs/dbraw/zinc/26/73/97/820267397.db2.gz WNZOLLYWAGZXGE-KBPBESRZSA-N 0 3 288.407 3.021 20 30 CGEDHN N#CCc1cncc(C2=CCN(Cc3ccccc3)CC2)c1 ZINC001241504269 821906014 /nfs/dbraw/zinc/90/60/14/821906014.db2.gz CXDUAGJZDFAHAA-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN COc1cccc(-c2ccc(CN(C)C3CC3)cn2)c1C#N ZINC001242299188 822943753 /nfs/dbraw/zinc/94/37/53/822943753.db2.gz XLBBFEJDEOCAJA-UHFFFAOYSA-N 0 3 293.370 3.223 20 30 CGEDHN Cc1c([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)cnn1C ZINC001327179952 935041605 /nfs/dbraw/zinc/04/16/05/935041605.db2.gz CCERPEQHQPSCHJ-ZDUSSCGKSA-N 0 3 294.402 3.135 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cnn(C)c1C)c1cccc(C#N)c1 ZINC001339193698 936357836 /nfs/dbraw/zinc/35/78/36/936357836.db2.gz KCWCOMSCVAMGPZ-SJCJKPOMSA-N 0 3 282.391 3.402 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC001342256610 936463128 /nfs/dbraw/zinc/46/31/28/936463128.db2.gz SIVPEUNJQFQSON-GJZGRUSLSA-N 0 3 292.810 3.127 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC001342279629 936464078 /nfs/dbraw/zinc/46/40/78/936464078.db2.gz VUCRWHKCJAZQAY-GOEBONIOSA-N 0 3 293.370 3.107 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001342925044 936483672 /nfs/dbraw/zinc/48/36/72/936483672.db2.gz QFQACAKNHXXAIH-ZNMIVQPWSA-N 0 3 293.370 3.036 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cc(C)nc3c2CCCC3)C1 ZINC001343018665 936486925 /nfs/dbraw/zinc/48/69/25/936486925.db2.gz BTTQFCUGYCNXFW-MRXNPFEDSA-N 0 3 286.419 3.046 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001344321924 936529315 /nfs/dbraw/zinc/52/93/15/936529315.db2.gz DRUFENTXXKGMEE-NNYUYHANSA-N 0 3 291.782 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1sccc1C1CC1 ZINC001346095786 936837747 /nfs/dbraw/zinc/83/77/47/936837747.db2.gz JEVNZXRDMNJYKU-GFCCVEGCSA-N 0 3 285.372 3.332 20 30 CGEDHN N#CC(C(=O)c1csc(Cl)c1)c1cccc(F)n1 ZINC001347173400 936872576 /nfs/dbraw/zinc/87/25/76/936872576.db2.gz ZIMQKQAPGHHQOO-MRVPVSSYSA-N 0 3 280.711 3.426 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1ccncc1 ZINC001353591276 937071137 /nfs/dbraw/zinc/07/11/37/937071137.db2.gz IYOXUNLKQLEJAM-INIZCTEOSA-N 0 3 291.439 3.118 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001481539222 927021768 /nfs/dbraw/zinc/02/17/68/927021768.db2.gz JZGTVURKLKIZJG-HOTGVXAUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001481676317 927055413 /nfs/dbraw/zinc/05/54/13/927055413.db2.gz CSISBMDJCXUUDK-YQQAZPJKSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1 ZINC001481772522 927086219 /nfs/dbraw/zinc/08/62/19/927086219.db2.gz HQYPRMAKAMCKNW-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1scnc1C ZINC001357397499 937171385 /nfs/dbraw/zinc/17/13/85/937171385.db2.gz RPWGKRJMNJAWGC-CYBMUJFWSA-N 0 3 297.468 3.146 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C1=CCCC1 ZINC001483644335 927560554 /nfs/dbraw/zinc/56/05/54/927560554.db2.gz PLRCKTVNLCMEBX-INIZCTEOSA-N 0 3 278.440 3.258 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001357546361 937174414 /nfs/dbraw/zinc/17/44/14/937174414.db2.gz MGWVQDCIVPOQLP-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CCC1(C(=O)NCC2(NC[C@H](F)CC)CC2)CCCC1 ZINC001483795931 927624455 /nfs/dbraw/zinc/62/44/55/927624455.db2.gz KUSXITKGMUNQQM-CQSZACIVSA-N 0 3 296.430 3.109 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001485256832 927836009 /nfs/dbraw/zinc/83/60/09/927836009.db2.gz XSBXAOYTDVGRKH-CZUORRHYSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](C)C1CCC1)C(C)C ZINC001486370489 928009053 /nfs/dbraw/zinc/00/90/53/928009053.db2.gz XVDHBKJJLQYETF-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000144368711 928079779 /nfs/dbraw/zinc/07/97/79/928079779.db2.gz KWBGQDJSQLUOHN-AWEZNQCLSA-N 0 3 266.429 3.090 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001489343443 928330144 /nfs/dbraw/zinc/33/01/44/928330144.db2.gz GLFHFXXNXDVPIR-PIZKADEWSA-N 0 3 298.858 3.312 20 30 CGEDHN C#CCCN1CCC[C@H]1CNC(=O)C(C)(C)CCCCC ZINC001493163109 928341260 /nfs/dbraw/zinc/34/12/60/928341260.db2.gz RJLMTXLDHXUYSV-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H](O)c1ccccc1 ZINC000903086064 928768742 /nfs/dbraw/zinc/76/87/42/928768742.db2.gz BSCNKRWOOJERQK-OWQGQXMQSA-N 0 3 295.386 3.116 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1cccc(F)c1 ZINC001491547903 928874908 /nfs/dbraw/zinc/87/49/08/928874908.db2.gz LMGPTBRKNDRJLT-CYBMUJFWSA-N 0 3 292.398 3.022 20 30 CGEDHN CN1CCc2cc(OC3CCC(C#N)CC3)ccc2C1 ZINC001228936804 932054379 /nfs/dbraw/zinc/05/43/79/932054379.db2.gz NMGYPXITRDDFIT-UHFFFAOYSA-N 0 3 270.376 3.136 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001230721645 932615129 /nfs/dbraw/zinc/61/51/29/932615129.db2.gz TXBZREBDQDENAK-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CC(=C)C)[C@H]1C ZINC001332208736 932735183 /nfs/dbraw/zinc/73/51/83/932735183.db2.gz WWSSEPBJOMOSAV-LSDHHAIUSA-N 0 3 278.440 3.134 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(CC(F)(F)F)cc1 ZINC001462157310 937621585 /nfs/dbraw/zinc/62/15/85/937621585.db2.gz LANKXDIWRBFWGE-LLVKDONJSA-N 0 3 255.283 3.245 20 30 CGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C(C)C ZINC001316677941 932822450 /nfs/dbraw/zinc/82/24/50/932822450.db2.gz ZCGDRHDQSALVTD-OCCSQVGLSA-N 0 3 286.847 3.002 20 30 CGEDHN C#C[C@@H](CO)NCc1ccccc1-c1ccc(C)cc1C ZINC001462471116 937643823 /nfs/dbraw/zinc/64/38/23/937643823.db2.gz XCQFDEXPHAIZDL-KRWDZBQOSA-N 0 3 279.383 3.054 20 30 CGEDHN C=CCCCCN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC001307552628 932968721 /nfs/dbraw/zinc/96/87/21/932968721.db2.gz AMOGCBCUPKFKHA-MRXNPFEDSA-N 0 3 272.392 3.080 20 30 CGEDHN C=C1CCC(CNCc2cn(-c3ccccc3)nn2)CC1 ZINC001308513387 933122781 /nfs/dbraw/zinc/12/27/81/933122781.db2.gz NRYOQCPVCJDIDF-UHFFFAOYSA-N 0 3 282.391 3.103 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)CCCCCC)[C@H]1C ZINC001316794964 933482081 /nfs/dbraw/zinc/48/20/81/933482081.db2.gz BBKGDXTXBHEXHP-ZACQAIPSSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001316933897 933497142 /nfs/dbraw/zinc/49/71/42/933497142.db2.gz QJMVDJXDOAWFCT-CABCVRRESA-N 0 3 294.483 3.414 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCCC ZINC001317042454 933517853 /nfs/dbraw/zinc/51/78/53/933517853.db2.gz IFQVXPBZOONHKL-YESZJQIVSA-N 0 3 292.467 3.454 20 30 CGEDHN C#CCN1CCC[C@@H](CNC(=O)CCCC[C@H](C)CC)C1 ZINC001317133313 933537271 /nfs/dbraw/zinc/53/72/71/933537271.db2.gz YLRIZGKSGMTFET-SJORKVTESA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001317208845 933553777 /nfs/dbraw/zinc/55/37/77/933553777.db2.gz MCSFJLDVKLNMQX-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCC ZINC001318190665 933692507 /nfs/dbraw/zinc/69/25/07/933692507.db2.gz OOORIGGFAWJHDG-JYJNAYRXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001318405733 933721533 /nfs/dbraw/zinc/72/15/33/933721533.db2.gz AKSSDANJHJVLFH-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H]1CCCC[C@@H]1C ZINC001467727615 937721694 /nfs/dbraw/zinc/72/16/94/937721694.db2.gz MYEGIAVLUSQUIL-JKSUJKDBSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1cc2c(s1)CCCC2 ZINC001321242968 934168746 /nfs/dbraw/zinc/16/87/46/934168746.db2.gz ZTJBPOPPLFTLKU-WCQYABFASA-N 0 3 265.422 3.479 20 30 CGEDHN Cc1cc(CN(Cc2ccccc2)[C@H](C)CO)ccc1C#N ZINC001322147857 934252147 /nfs/dbraw/zinc/25/21/47/934252147.db2.gz BXSYYHXZECQEBX-MRXNPFEDSA-N 0 3 294.398 3.250 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001323317380 934387244 /nfs/dbraw/zinc/38/72/44/934387244.db2.gz GRSMQNZBCWTBAB-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc(C(C)C)nc2C)C1 ZINC001324941891 934875123 /nfs/dbraw/zinc/87/51/23/934875123.db2.gz WFGSXZHHRXWJNZ-INIZCTEOSA-N 0 3 274.408 3.290 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C[C@H](F)CC ZINC001325895187 934938016 /nfs/dbraw/zinc/93/80/16/934938016.db2.gz DHAMHKULPPOMBQ-BZUAXINKSA-N 0 3 296.430 3.156 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)C(CC)CC)[C@@H]2C1 ZINC001325942114 934940156 /nfs/dbraw/zinc/94/01/56/934940156.db2.gz GXHVVRMTIHZNSE-BHYGNILZSA-N 0 3 292.467 3.168 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001327172571 935040141 /nfs/dbraw/zinc/04/01/41/935040141.db2.gz LAPZAFDVBPHRNY-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc([S@@](C)=O)cc2)C1 ZINC001333986432 936079103 /nfs/dbraw/zinc/07/91/03/936079103.db2.gz FEKRALPPTXJFOT-AUUYWEPGSA-N 0 3 277.433 3.212 20 30 CGEDHN C#C[C@H](CCC)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC001335434435 936145554 /nfs/dbraw/zinc/14/55/54/936145554.db2.gz YBVLAJHOYQZRMI-BXUZGUMPSA-N 0 3 285.309 3.130 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001335545651 936151797 /nfs/dbraw/zinc/15/17/97/936151797.db2.gz JKTKKYJIZDWDDI-CQSZACIVSA-N 0 3 292.448 3.358 20 30 CGEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(OC)cc1 ZINC001473857454 937824915 /nfs/dbraw/zinc/82/49/15/937824915.db2.gz SKGODOBAPFWYLI-OAHLLOKOSA-N 0 3 288.391 3.064 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNC[C@H](F)CC ZINC001480356249 937937282 /nfs/dbraw/zinc/93/72/82/937937282.db2.gz CFLRNQOJZBNTDM-CABCVRRESA-N 0 3 298.446 3.308 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001480740125 937942993 /nfs/dbraw/zinc/94/29/93/937942993.db2.gz VSPONZRPDWPDTL-HOTGVXAUSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)CCC)CC2 ZINC001495976954 937960791 /nfs/dbraw/zinc/96/07/91/937960791.db2.gz QGGNHRSLLUVQFP-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)/C=C\C(C)(C)C)C(C)C ZINC001496535595 937963004 /nfs/dbraw/zinc/96/30/04/937963004.db2.gz USYKDBLALRYRBI-MEJMFZKBSA-N 0 3 286.847 3.072 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccc(C2CCC2)c1 ZINC001498425605 937969555 /nfs/dbraw/zinc/96/95/55/937969555.db2.gz PJOOJNYOGXODAQ-AWEZNQCLSA-N 0 3 286.419 3.190 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CCNCC(=C)Cl)C1 ZINC001501571111 937979942 /nfs/dbraw/zinc/97/99/42/937979942.db2.gz PLPBGGAKNACRMB-AWEZNQCLSA-N 0 3 298.858 3.169 20 30 CGEDHN C#CCN(C)CCCN(C)C(=O)C(C)(C)C1CCCCC1 ZINC001502380429 937982137 /nfs/dbraw/zinc/98/21/37/937982137.db2.gz MVTYAZLBSRRCTD-UHFFFAOYSA-N 0 3 292.467 3.006 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)C(CCC)CCC)C[C@@H]1C ZINC001502969959 937983864 /nfs/dbraw/zinc/98/38/64/937983864.db2.gz QFXFQCVGWAUESR-RDJZCZTQSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001505456375 937985766 /nfs/dbraw/zinc/98/57/66/937985766.db2.gz SZXJEOXJHPPAPI-ULQDDVLXSA-N 0 3 292.467 3.312 20 30 CGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCCCCC ZINC001506581534 937991086 /nfs/dbraw/zinc/99/10/86/937991086.db2.gz KKHTVSXXTSKLJT-QGZVFWFLSA-N 0 3 292.467 3.341 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)c1cccc(F)n1 ZINC001516783788 938009806 /nfs/dbraw/zinc/00/98/06/938009806.db2.gz XVYOMZSRELOTJX-VHSXEESVSA-N 0 3 282.265 3.222 20 30 CGEDHN N#CC(C(=O)C1CCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001520068348 938023015 /nfs/dbraw/zinc/02/30/15/938023015.db2.gz GHRKGNYWCILIER-VIFPVBQESA-N 0 3 273.723 3.193 20 30 CGEDHN C#CCCCCCC(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001529008021 938070271 /nfs/dbraw/zinc/07/02/71/938070271.db2.gz ZWNXMRKHMQVTRX-MRXNPFEDSA-N 0 3 290.451 3.045 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)[nH]c2ccccc21 ZINC001556466436 938203972 /nfs/dbraw/zinc/20/39/72/938203972.db2.gz YICQJFWQMOTJOB-UHFFFAOYSA-N 0 3 299.418 3.056 20 30 CGEDHN C[C@@H]1c2sccc2CCN1C[C@H](O)c1cccc(C#N)c1 ZINC001560112966 938244228 /nfs/dbraw/zinc/24/42/28/938244228.db2.gz TYASGQPHQUEBFX-WBMJQRKESA-N 0 3 298.411 3.272 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001490798923 957901003 /nfs/dbraw/zinc/90/10/03/957901003.db2.gz NWJFSAMPMYPUPQ-LUKYLMHMSA-N 0 3 292.467 3.308 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001565822564 960823547 /nfs/dbraw/zinc/82/35/47/960823547.db2.gz IMDPDWQNRNMKPG-WHLNPGIBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(CCC)CCC2)CC1 ZINC001566611333 960966146 /nfs/dbraw/zinc/96/61/46/960966146.db2.gz DNOBWMISSADCNS-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC1(C(=O)NCCC[C@@H]2CCCN2CCF)CCC1 ZINC001567261946 961156472 /nfs/dbraw/zinc/15/64/72/961156472.db2.gz RBGPQFQAHSFUDX-OAHLLOKOSA-N 0 3 296.430 3.063 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCCN1C/C=C\c1ccccc1 ZINC001567367119 961306768 /nfs/dbraw/zinc/30/67/68/961306768.db2.gz VLKKQTMAKKDZDY-VTSXBNNFSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C12CCC(CC1)C2)c1ccccc1 ZINC001567659980 961379761 /nfs/dbraw/zinc/37/97/61/961379761.db2.gz REOGAOPJTXJHLT-RMXPPQQLSA-N 0 3 298.430 3.200 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCCC#CC)C1 ZINC001567686507 961394276 /nfs/dbraw/zinc/39/42/76/961394276.db2.gz NIOBCFLAIYHBNB-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001569383808 961755266 /nfs/dbraw/zinc/75/52/66/961755266.db2.gz XZVVTTCWFXKLNA-SJLPKXTDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(CCCC)CC2)C1 ZINC001569719585 961834105 /nfs/dbraw/zinc/83/41/05/961834105.db2.gz MPNNKXKIINOAMP-KRWDZBQOSA-N 0 3 292.467 3.361 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@@H]1C=CCC1 ZINC001570669469 962032963 /nfs/dbraw/zinc/03/29/63/962032963.db2.gz ZARDCUCEVRGMBT-CQSZACIVSA-N 0 3 298.858 3.169 20 30 CGEDHN CC#CCN1CCC([C@H](C)NC(=O)C(C)(C)CCC)CC1 ZINC001571649510 962201675 /nfs/dbraw/zinc/20/16/75/962201675.db2.gz IDMNZYIIXZSARP-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C(=O)[C@H](N)CCC(C)C ZINC001574836514 962325671 /nfs/dbraw/zinc/32/56/71/962325671.db2.gz NWYLOQAGNZFYHE-QGZVFWFLSA-N 0 3 288.435 3.355 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCCCCC(C)(C)C ZINC001574908220 962329914 /nfs/dbraw/zinc/32/99/14/962329914.db2.gz IGEYFFLPFHHIRE-ZDUSSCGKSA-N 0 3 254.418 3.003 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H](OC)C[C@@H]1C ZINC001577426797 962545911 /nfs/dbraw/zinc/54/59/11/962545911.db2.gz WXRWERDULGWNTI-JYJNAYRXSA-N 0 3 298.471 3.090 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cncc(F)c1 ZINC001577430160 962546164 /nfs/dbraw/zinc/54/61/64/962546164.db2.gz ROVYQUTVJHLCKE-CQSZACIVSA-N 0 3 281.375 3.237 20 30 CGEDHN C=C(CC)C[NH+]1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588441226 963267116 /nfs/dbraw/zinc/26/71/16/963267116.db2.gz BTWUVOXFHKENTQ-UHFFFAOYSA-N 0 3 297.406 3.012 20 30 CGEDHN C=C(CC)C[NH+]1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588441226 963267128 /nfs/dbraw/zinc/26/71/28/963267128.db2.gz BTWUVOXFHKENTQ-UHFFFAOYSA-N 0 3 297.406 3.012 20 30 CGEDHN C=C(C)CC[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588419422 963270221 /nfs/dbraw/zinc/27/02/21/963270221.db2.gz IQKMLKZVGINDNM-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=C(C)CC[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588419422 963270229 /nfs/dbraw/zinc/27/02/29/963270229.db2.gz IQKMLKZVGINDNM-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=C(C)CC[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588419422 963270237 /nfs/dbraw/zinc/27/02/37/963270237.db2.gz IQKMLKZVGINDNM-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=C(C)CC[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588419422 963270244 /nfs/dbraw/zinc/27/02/44/963270244.db2.gz IQKMLKZVGINDNM-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588560876 963281376 /nfs/dbraw/zinc/28/13/76/963281376.db2.gz UZKFCXGRGHNKKO-GOEBONIOSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588560876 963281391 /nfs/dbraw/zinc/28/13/91/963281391.db2.gz UZKFCXGRGHNKKO-GOEBONIOSA-N 0 3 297.406 3.091 20 30 CGEDHN COCc1ccccc1CNCc1ccc(OC)c(C#N)c1 ZINC000124985533 187164281 /nfs/dbraw/zinc/16/42/81/187164281.db2.gz UWFKNYZTWDBIAV-UHFFFAOYSA-N 0 3 296.370 3.003 20 30 CGEDHN C=CCN(Cc1nccnc1C)CC1CCCCC1 ZINC000621717244 349562609 /nfs/dbraw/zinc/56/26/09/349562609.db2.gz ZZCOHIWECNTUSB-UHFFFAOYSA-N 0 3 259.397 3.353 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2nnc3n2CCCCC3)C1 ZINC000651673825 398266946 /nfs/dbraw/zinc/26/69/46/398266946.db2.gz YEJXGWPSJMWHAR-RRFJBIMHSA-N 0 3 288.439 3.400 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCCO[C@@H](c3ccccc3)C2)C1 ZINC000590159143 346833625 /nfs/dbraw/zinc/83/36/25/346833625.db2.gz WYYMBYGYBSAWES-DJIMGWMZSA-N 0 3 270.376 3.142 20 30 CGEDHN CC1(C#N)CCC(NCc2ccc(Cl)o2)CC1 ZINC000590642184 346857714 /nfs/dbraw/zinc/85/77/14/346857714.db2.gz DHDQNJLTTDSWNC-UHFFFAOYSA-N 0 3 252.745 3.495 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2csc(N(C)C)n2)C1 ZINC000651729037 398277294 /nfs/dbraw/zinc/27/72/94/398277294.db2.gz TZZATCXXQOEFTE-NEPJUHHUSA-N 0 3 265.426 3.044 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCO[C@H]2c2ccncc2)c1 ZINC000337859717 214290326 /nfs/dbraw/zinc/29/03/26/214290326.db2.gz AXIBNIGGUWTGQY-CVEARBPZSA-N 0 3 299.399 3.025 20 30 CGEDHN C=CCOc1cccc(CN[C@H](C)COCC2CC2)c1 ZINC000651981653 398315609 /nfs/dbraw/zinc/31/56/09/398315609.db2.gz WDENNHKKVQXDRA-CQSZACIVSA-N 0 3 275.392 3.156 20 30 CGEDHN N#CC1(CCN[C@]2(CO)CCc3ccccc32)CCCCC1 ZINC000591019770 346895264 /nfs/dbraw/zinc/89/52/64/346895264.db2.gz BNCMLUVCPZSJAS-IBGZPJMESA-N 0 3 298.430 3.274 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](C2CCC2)C1 ZINC000591237988 346910262 /nfs/dbraw/zinc/91/02/62/346910262.db2.gz NQGIQADOOBNZIM-ZWKOTPCHSA-N 0 3 296.414 3.408 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000591243335 346910816 /nfs/dbraw/zinc/91/08/16/346910816.db2.gz PZGGZNBJDOSJEP-SNVBAGLBSA-N 0 3 273.336 3.124 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC1(F)F ZINC000591255930 346911930 /nfs/dbraw/zinc/91/19/30/346911930.db2.gz IPLMNOXVIVUDBC-CWSCBRNRSA-N 0 3 250.292 3.253 20 30 CGEDHN CC1(C)C[C@@H](NCC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000591357744 346916956 /nfs/dbraw/zinc/91/69/56/346916956.db2.gz NYNZDWZTHPGUJG-QGZVFWFLSA-N 0 3 297.446 3.323 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C(CC)CC)C1CC1 ZINC000591373862 346918502 /nfs/dbraw/zinc/91/85/02/346918502.db2.gz GUGVEYYYPZJDIH-UHFFFAOYSA-N 0 3 266.429 3.064 20 30 CGEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000358562445 529667182 /nfs/dbraw/zinc/66/71/82/529667182.db2.gz GUNWUAQNDFQDMC-XFBWCDHKSA-N 0 3 276.355 3.306 20 30 CGEDHN N#Cc1cnccc1CN1CCC[C@@H]1C1CCCCC1 ZINC000592061081 346958001 /nfs/dbraw/zinc/95/80/01/346958001.db2.gz STHGENIXYZDPNY-QGZVFWFLSA-N 0 3 269.392 3.498 20 30 CGEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCc1ccncc1C#N ZINC000592098304 346962556 /nfs/dbraw/zinc/96/25/56/346962556.db2.gz OJPYEIFBGKQNTP-GOSISDBHSA-N 0 3 297.377 3.449 20 30 CGEDHN C[C@@H](NCc1ccncc1C#N)[C@@H](C)c1ccccc1 ZINC000592098948 346962589 /nfs/dbraw/zinc/96/25/89/346962589.db2.gz OLLOUBPWCKPSSN-ZIAGYGMSSA-N 0 3 265.360 3.235 20 30 CGEDHN CC[C@H](NCc1ccncc1C#N)C1CCCCC1 ZINC000592098160 346962630 /nfs/dbraw/zinc/96/26/30/346962630.db2.gz LTMGMVYYDHJSMY-INIZCTEOSA-N 0 3 257.381 3.402 20 30 CGEDHN CCS[C@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000592108074 346963416 /nfs/dbraw/zinc/96/34/16/346963416.db2.gz SLIMHAVHOZSHOF-CABCVRRESA-N 0 3 275.421 3.107 20 30 CGEDHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ccncc1C#N ZINC000592083399 346961481 /nfs/dbraw/zinc/96/14/81/346961481.db2.gz PKHAMTYRJQOBBK-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN N#CC[C@@]1(O)CCN(CCCc2cccc3ccccc32)C1 ZINC000592151396 346967643 /nfs/dbraw/zinc/96/76/43/346967643.db2.gz ODWICUZBNAKOOO-LJQANCHMSA-N 0 3 294.398 3.123 20 30 CGEDHN CCC(C)(C)c1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592153702 346967704 /nfs/dbraw/zinc/96/77/04/346967704.db2.gz NYGGPJTVJNRYNF-GOSISDBHSA-N 0 3 286.419 3.225 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)[C@@H]1CCC[C@H](C)C1 ZINC000592127091 346964751 /nfs/dbraw/zinc/96/47/51/346964751.db2.gz UDGQAMLEEIHTBH-MELADBBJSA-N 0 3 257.381 3.258 20 30 CGEDHN CC[C@H](C)C[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000592398198 346983992 /nfs/dbraw/zinc/98/39/92/346983992.db2.gz RGKNYTJQTDVAFK-SGMGOOAPSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@]1(c2cccc(F)c2)CCN(CCCSCC#N)C1 ZINC000593046573 347031778 /nfs/dbraw/zinc/03/17/78/347031778.db2.gz OYAALWSWOPHZKH-INIZCTEOSA-N 0 3 292.423 3.436 20 30 CGEDHN CN(CCN1Cc2cccc(C#N)c2C1)Cc1ccccc1 ZINC000593126339 347043058 /nfs/dbraw/zinc/04/30/58/347043058.db2.gz SYCGBAWQSRULIF-UHFFFAOYSA-N 0 3 291.398 3.006 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccccc1)C(C)C ZINC000046049360 345033298 /nfs/dbraw/zinc/03/32/98/345033298.db2.gz PNZZQPATEPHJLX-QGZVFWFLSA-N 0 3 286.419 3.115 20 30 CGEDHN CN(CCOc1ccccc1F)Cc1cccc(C#N)c1 ZINC000053421107 345120059 /nfs/dbraw/zinc/12/00/59/345120059.db2.gz BWWPRYJSPSFREK-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN CC(C)N(CCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000052218700 345099955 /nfs/dbraw/zinc/09/99/55/345099955.db2.gz XHHOAVFQMSNPTP-UHFFFAOYSA-N 0 3 295.386 3.243 20 30 CGEDHN N#CCSCCCN1CC[C@H](c2ccccc2F)C1 ZINC000074990508 345489879 /nfs/dbraw/zinc/48/98/79/345489879.db2.gz HXFIQLVDLQGNOB-ZDUSSCGKSA-N 0 3 278.396 3.262 20 30 CGEDHN N#Cc1cccc(CNC2(c3ccccc3)CCOCC2)c1 ZINC000074318889 345466261 /nfs/dbraw/zinc/46/62/61/345466261.db2.gz YLCHYUXCBBBWLR-UHFFFAOYSA-N 0 3 292.382 3.354 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCc2scnc21 ZINC000623977114 349934038 /nfs/dbraw/zinc/93/40/38/349934038.db2.gz HLKMSYGIPOYKCN-JMSVASOKSA-N 0 3 278.421 3.091 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCc2scnc21 ZINC000623977113 349934369 /nfs/dbraw/zinc/93/43/69/349934369.db2.gz HLKMSYGIPOYKCN-HUBLWGQQSA-N 0 3 278.421 3.091 20 30 CGEDHN COc1ccccc1C[C@H](C)N(C)CC1(CC#N)CC1 ZINC000088259577 345758247 /nfs/dbraw/zinc/75/82/47/345758247.db2.gz RLXMPYDEGVTVHU-AWEZNQCLSA-N 0 3 272.392 3.252 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cccnc1 ZINC000171146319 346203176 /nfs/dbraw/zinc/20/31/76/346203176.db2.gz QIBFGOINUVFFNP-UHFFFAOYSA-N 0 3 252.361 3.312 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCc1ccc(C#N)s1 ZINC000233846283 346329668 /nfs/dbraw/zinc/32/96/68/346329668.db2.gz HOOYRFSSHSRXBS-CHWSQXEVSA-N 0 3 266.435 3.384 20 30 CGEDHN CN(C)Cc1cccc(NCc2ccc(F)c(C#N)c2)c1 ZINC000234249831 346331188 /nfs/dbraw/zinc/33/11/88/346331188.db2.gz FGJHXQOIAZIJEH-UHFFFAOYSA-N 0 3 283.350 3.371 20 30 CGEDHN COc1ccc(F)cc1CNC1CCC(C#N)CC1 ZINC000258732445 346401321 /nfs/dbraw/zinc/40/13/21/346401321.db2.gz HTIOVJNKQKGAQO-UHFFFAOYSA-N 0 3 262.328 3.006 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000593589704 347092537 /nfs/dbraw/zinc/09/25/37/347092537.db2.gz UQTXRHFXZUFXHT-TZMCWYRMSA-N 0 3 260.337 3.429 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3c2CCC3)cc1F ZINC000593641640 347098371 /nfs/dbraw/zinc/09/83/71/347098371.db2.gz INVLHRYHFKZQOI-UHFFFAOYSA-N 0 3 280.346 3.476 20 30 CGEDHN COC[C@H](CC(C)(C)C)NCc1ccc(C#N)c(OC)c1 ZINC000593630428 347097519 /nfs/dbraw/zinc/09/75/19/347097519.db2.gz NZEIHPSRUIDJQU-HNNXBMFYSA-N 0 3 290.407 3.108 20 30 CGEDHN N#CC1(CNC[C@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000593653034 347099297 /nfs/dbraw/zinc/09/92/97/347099297.db2.gz YCUXYTKIFGMREC-HZPDHXFCSA-N 0 3 254.377 3.464 20 30 CGEDHN N#CC1(CN[C@@H]2Cc3ccc(Cl)cc3C2)CCCC1 ZINC000593653644 347100262 /nfs/dbraw/zinc/10/02/62/347100262.db2.gz UMVHBNOAKZYCES-OAHLLOKOSA-N 0 3 274.795 3.481 20 30 CGEDHN C[C@H](NCC1(C#N)CCCC1)C1CCSCC1 ZINC000593654580 347101358 /nfs/dbraw/zinc/10/13/58/347101358.db2.gz IPNMRVJJGJZHED-LBPRGKRZSA-N 0 3 252.427 3.192 20 30 CGEDHN CCCCCCCCC(=O)N1CCN2CCC1CC2 ZINC000365034122 346547844 /nfs/dbraw/zinc/54/78/44/346547844.db2.gz CRIUGVYPVXIFQE-UHFFFAOYSA-N 0 3 266.429 3.044 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000397653005 346584125 /nfs/dbraw/zinc/58/41/25/346584125.db2.gz UMQSTFBVWJZQEJ-STQMWFEESA-N 0 3 256.340 3.438 20 30 CGEDHN N#Cc1cccc(CN2CCC3(CC3(F)F)CC2)c1 ZINC000404907597 346601653 /nfs/dbraw/zinc/60/16/53/346601653.db2.gz SJRSBACLYYHLDP-UHFFFAOYSA-N 0 3 262.303 3.179 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3ccccc3C2)CCCC1 ZINC000405166353 346602260 /nfs/dbraw/zinc/60/22/60/346602260.db2.gz UDRVYOOLBCRAKG-MRXNPFEDSA-N 0 3 254.377 3.217 20 30 CGEDHN C=CCCCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000584761310 346712382 /nfs/dbraw/zinc/71/23/82/346712382.db2.gz KKRKBPYVNIUMGN-UHFFFAOYSA-N 0 3 290.382 3.245 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)CCCCCC#N)c1 ZINC000588282643 346759191 /nfs/dbraw/zinc/75/91/91/346759191.db2.gz PNHMLKUDZYKPCT-UHFFFAOYSA-N 0 3 273.380 3.161 20 30 CGEDHN Cc1n[nH]cc1C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000585754804 346729883 /nfs/dbraw/zinc/72/98/83/346729883.db2.gz YQQMYKSPACSVIJ-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN C=CCCCCCN(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000119210525 370655361 /nfs/dbraw/zinc/65/53/61/370655361.db2.gz BZEAWPJIJPLYNF-MRXNPFEDSA-N 0 3 274.408 3.281 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)s1)[C@H]1CCCCO1 ZINC000594042615 347143548 /nfs/dbraw/zinc/14/35/48/347143548.db2.gz LUGDRRIYIYVWDX-UONOGXRCSA-N 0 3 264.394 3.057 20 30 CGEDHN C[C@H]1CC[C@@](C)(CNC[C@H](C#N)CCC#N)C1(C)C ZINC000594712985 347212879 /nfs/dbraw/zinc/21/28/79/347212879.db2.gz SBDGPXBZOLAKGX-DZKIICNBSA-N 0 3 261.413 3.482 20 30 CGEDHN CC(C)[C@@H](O)[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000594992478 347251121 /nfs/dbraw/zinc/25/11/21/347251121.db2.gz SIMUJEIOGSDBMN-RBUKOAKNSA-N 0 3 294.398 3.406 20 30 CGEDHN CC(C)N1CCCC[C@@H]1CSc1ccncc1C#N ZINC000594908946 347227311 /nfs/dbraw/zinc/22/73/11/347227311.db2.gz PKIRYUHUDVLXIR-CQSZACIVSA-N 0 3 275.421 3.308 20 30 CGEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccnc1 ZINC000594925335 347230815 /nfs/dbraw/zinc/23/08/15/347230815.db2.gz VZCFILJOCPYJDM-CQSZACIVSA-N 0 3 277.371 3.488 20 30 CGEDHN N#CC1(c2ccc(CNCc3ccc(O)cc3)cc2)CC1 ZINC000594923543 347230825 /nfs/dbraw/zinc/23/08/25/347230825.db2.gz INMQGHNWWBVBMC-UHFFFAOYSA-N 0 3 278.355 3.237 20 30 CGEDHN Cc1cncc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594935612 347234353 /nfs/dbraw/zinc/23/43/53/347234353.db2.gz IYZIVYVMETUUSB-UHFFFAOYSA-N 0 3 277.371 3.235 20 30 CGEDHN CO[C@H]1CCC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594981122 347247977 /nfs/dbraw/zinc/24/79/77/347247977.db2.gz HHQZEEOQSMOUDO-KBPBESRZSA-N 0 3 250.386 3.008 20 30 CGEDHN CO[C@H](CN(C)Cc1cccc(C#N)c1)C1CCCC1 ZINC000595291103 347287497 /nfs/dbraw/zinc/28/74/97/347287497.db2.gz YFURJPRGRRQZJN-QGZVFWFLSA-N 0 3 272.392 3.195 20 30 CGEDHN N#Cc1ccc(CCN2CCC(C(F)(F)F)CC2)cc1 ZINC000595329751 347293361 /nfs/dbraw/zinc/29/33/61/347293361.db2.gz CDWKRGYMDVTMDJ-UHFFFAOYSA-N 0 3 282.309 3.375 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)OC)o1 ZINC000595007112 347255096 /nfs/dbraw/zinc/25/50/96/347255096.db2.gz GEKYJQMTIDELNW-JSGCOSHPSA-N 0 3 277.364 3.291 20 30 CGEDHN C[C@@H](NC[C@@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055070 347271018 /nfs/dbraw/zinc/27/10/18/347271018.db2.gz ZXOUOOJMRHQSBE-OCCSQVGLSA-N 0 3 289.398 3.221 20 30 CGEDHN CO[C@H]1C[C@H]2C[C@H](NCC3(C#N)CCCCC3)C[C@H]2C1 ZINC000595090576 347280364 /nfs/dbraw/zinc/28/03/64/347280364.db2.gz IGCGBCMQRPRYGU-PLAPLOCASA-N 0 3 276.424 3.254 20 30 CGEDHN CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000595093568 347282140 /nfs/dbraw/zinc/28/21/40/347282140.db2.gz CCVSECHWQZJNAL-ROUUACIJSA-N 0 3 284.403 3.340 20 30 CGEDHN CC[C@H](C)N(CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595598531 347323597 /nfs/dbraw/zinc/32/35/97/347323597.db2.gz FXNRVUPNXSJDNG-YOEHRIQHSA-N 0 3 299.418 3.174 20 30 CGEDHN COc1cccc(CCCN2CCC[C@H](CC#N)C2)c1 ZINC000595615370 347327238 /nfs/dbraw/zinc/32/72/38/347327238.db2.gz QEMOJHFSNAOHEC-MRXNPFEDSA-N 0 3 272.392 3.253 20 30 CGEDHN CSc1ccc(OCCN2CCC[C@@H](CC#N)C2)cc1 ZINC000595615464 347327938 /nfs/dbraw/zinc/32/79/38/347327938.db2.gz RJZPSDCETWBNAG-AWEZNQCLSA-N 0 3 290.432 3.413 20 30 CGEDHN N#CC[C@@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC000595620221 347328453 /nfs/dbraw/zinc/32/84/53/347328453.db2.gz KNICGLUTHHBOEH-HNNXBMFYSA-N 0 3 260.356 3.384 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000595660527 347334048 /nfs/dbraw/zinc/33/40/48/347334048.db2.gz UJQVBWTVFWURJX-CYBMUJFWSA-N 0 3 277.364 3.163 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000595661619 347335057 /nfs/dbraw/zinc/33/50/57/347335057.db2.gz XTAYSTSVSSAWRZ-CQSZACIVSA-N 0 3 270.376 3.355 20 30 CGEDHN COc1cccc([C@@]2(C)CCN([C@@H](C)CCC#N)C2)c1 ZINC000595764441 347352730 /nfs/dbraw/zinc/35/27/30/347352730.db2.gz ISZDFSKUWVWKFB-YOEHRIQHSA-N 0 3 272.392 3.351 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000595778955 347355132 /nfs/dbraw/zinc/35/51/32/347355132.db2.gz WJTWDEPGYQHCFK-JKSUJKDBSA-N 0 3 299.418 3.169 20 30 CGEDHN CC(C)[C@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CCN1C ZINC000595463040 347307861 /nfs/dbraw/zinc/30/78/61/347307861.db2.gz YJPGXAQCOLOZSG-HZPDHXFCSA-N 0 3 291.826 3.177 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccon2)CC1 ZINC000595829610 347361717 /nfs/dbraw/zinc/36/17/17/347361717.db2.gz WTBZEJQTUOSFIT-ZDUSSCGKSA-N 0 3 281.359 3.487 20 30 CGEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084901 347534662 /nfs/dbraw/zinc/53/46/62/347534662.db2.gz QQDJKEYTJSNEQL-SFHVURJKSA-N 0 3 297.446 3.014 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CO[C@H](C2CC2)C1 ZINC000597156407 347541622 /nfs/dbraw/zinc/54/16/22/347541622.db2.gz ZNSARDIAYCFNPO-SZMVWBNQSA-N 0 3 282.387 3.093 20 30 CGEDHN N#Cc1sccc1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000597182947 347546004 /nfs/dbraw/zinc/54/60/04/347546004.db2.gz FXAYPLYYNRUXQU-AWEZNQCLSA-N 0 3 287.432 3.098 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(-c2ccccc2)o1 ZINC000598701429 347680162 /nfs/dbraw/zinc/68/01/62/347680162.db2.gz VDZAWKIUJXSKPN-HNNXBMFYSA-N 0 3 298.386 3.337 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC(CC2CC2)C1 ZINC000598906653 347698638 /nfs/dbraw/zinc/69/86/38/347698638.db2.gz RQEDYZDRQJESOJ-QGZVFWFLSA-N 0 3 282.387 3.017 20 30 CGEDHN COc1cc(CNCC2(CC#N)CC2)ccc1Cl ZINC000598973629 347702590 /nfs/dbraw/zinc/70/25/90/347702590.db2.gz CYMRRDABJYAZTL-UHFFFAOYSA-N 0 3 264.756 3.132 20 30 CGEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccn1 ZINC000598976079 347703122 /nfs/dbraw/zinc/70/31/22/347703122.db2.gz TYFONYDFAJTLHU-KRWDZBQOSA-N 0 3 263.344 3.039 20 30 CGEDHN CC(C)CC[C@@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000599067707 347713464 /nfs/dbraw/zinc/71/34/64/347713464.db2.gz HGEHKHGMYBVZPR-WFASDCNBSA-N 0 3 278.371 3.145 20 30 CGEDHN Cc1ccc([C@H]2CCCCN2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598593517 347668421 /nfs/dbraw/zinc/66/84/21/347668421.db2.gz UHEIHSXTMKGUCS-LSDHHAIUSA-N 0 3 290.407 3.416 20 30 CGEDHN CN(Cc1ccc(F)c(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598609966 347670650 /nfs/dbraw/zinc/67/06/50/347670650.db2.gz LZMCCGVGCATVLI-GFCCVEGCSA-N 0 3 298.789 3.212 20 30 CGEDHN N#CCc1cccc2c1CCN([C@@H]1C=CCCC1)C2 ZINC000599678724 347764786 /nfs/dbraw/zinc/76/47/86/347764786.db2.gz LUGQDQBJOMVYBY-MRXNPFEDSA-N 0 3 252.361 3.219 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H](O)C1CCCCC1)C2 ZINC000599679120 347765104 /nfs/dbraw/zinc/76/51/04/347765104.db2.gz WIHQUKRZLPJDSZ-LJQANCHMSA-N 0 3 298.430 3.052 20 30 CGEDHN Cc1ccc(CN2CCC[C@H](OC(C)C)C2)cc1C#N ZINC000599451245 347746302 /nfs/dbraw/zinc/74/63/02/347746302.db2.gz UQRWDMBXQJVVPE-KRWDZBQOSA-N 0 3 272.392 3.256 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1C#N ZINC000599454548 347747081 /nfs/dbraw/zinc/74/70/81/347747081.db2.gz QNPFGDQCEHGFKT-GOSISDBHSA-N 0 3 284.403 3.400 20 30 CGEDHN N#CCCNCC/C=C\c1ccc(Br)cc1 ZINC000600745380 347831746 /nfs/dbraw/zinc/83/17/46/347831746.db2.gz IKSXKILIJXHNEV-RJRFIUFISA-N 0 3 279.181 3.356 20 30 CGEDHN C=CC[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000600212122 347793253 /nfs/dbraw/zinc/79/32/53/347793253.db2.gz ADVAFTXMQIPDPF-IRXDYDNUSA-N 0 3 282.387 3.184 20 30 CGEDHN CC(C)c1ccc([C@@H](N)CNCc2ccc(C#N)o2)cc1 ZINC000600767600 347832497 /nfs/dbraw/zinc/83/24/97/347832497.db2.gz BTAWKLBYIBJUPO-KRWDZBQOSA-N 0 3 283.375 3.064 20 30 CGEDHN C[C@@H](Cc1cccs1)NCc1cccc(F)c1C#N ZINC000601997934 347932024 /nfs/dbraw/zinc/93/20/24/347932024.db2.gz NQTVSBHEGFAQEG-NSHDSACASA-N 0 3 274.364 3.480 20 30 CGEDHN CCO[C@@H](CCNCc1cccc(F)c1C#N)C(C)C ZINC000602011583 347932731 /nfs/dbraw/zinc/93/27/31/347932731.db2.gz HXYMIBZIHCWTNQ-INIZCTEOSA-N 0 3 278.371 3.238 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000602463481 347962299 /nfs/dbraw/zinc/96/22/99/347962299.db2.gz GQCOXXQQCBKYCW-KRWDZBQOSA-N 0 3 291.398 3.408 20 30 CGEDHN N#Cc1cccc(CN2CCC3(CCCCC3)CC2)n1 ZINC000602459242 347962315 /nfs/dbraw/zinc/96/23/15/347962315.db2.gz SGEOWWFTWFMUGL-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN CC[C@@H](C)[C@@H](C)N(Cc1cccc(C#N)n1)C1CC1 ZINC000602465372 347963108 /nfs/dbraw/zinc/96/31/08/347963108.db2.gz QCHYXUDKEIQFTJ-CHWSQXEVSA-N 0 3 257.381 3.352 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000602469294 347964169 /nfs/dbraw/zinc/96/41/69/347964169.db2.gz SJNALPCTIFQJSU-CQSZACIVSA-N 0 3 281.334 3.082 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCC[C@@H]3CCO3)CC2)cc1 ZINC000602494917 347969237 /nfs/dbraw/zinc/96/92/37/347969237.db2.gz QWSQONUJFRAFKO-GOSISDBHSA-N 0 3 282.387 3.216 20 30 CGEDHN C[C@@H](CCC#N)CNCc1ccccc1Br ZINC000602524667 347975592 /nfs/dbraw/zinc/97/55/92/347975592.db2.gz OPHBDGBACNXJOB-NSHDSACASA-N 0 3 281.197 3.479 20 30 CGEDHN C[C@H](CCC#N)CNC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000602574145 347985616 /nfs/dbraw/zinc/98/56/16/347985616.db2.gz RQYAWMJELDGPID-CQSZACIVSA-N 0 3 297.406 3.032 20 30 CGEDHN C[C@@H](CCC#N)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000602585128 347988949 /nfs/dbraw/zinc/98/89/49/347988949.db2.gz NLUZKWRXCSYXKT-JTQLQIEISA-N 0 3 270.298 3.476 20 30 CGEDHN CC(C)[C@@H](CC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602626994 347997089 /nfs/dbraw/zinc/99/70/89/347997089.db2.gz OGQWCBZSAUBFJG-GFCCVEGCSA-N 0 3 271.286 3.020 20 30 CGEDHN N#Cc1cccc(CN[C@H]2C[C@H](Sc3ccccc3)C2)n1 ZINC000602741189 348022411 /nfs/dbraw/zinc/02/24/11/348022411.db2.gz FBCLYAIWKGWLII-JCNLHEQBSA-N 0 3 295.411 3.366 20 30 CGEDHN C[C@H](CC1CCCCC1)CN1CCN(CCC#N)CC1 ZINC000602748477 348022932 /nfs/dbraw/zinc/02/29/32/348022932.db2.gz MQYIYMVNRYTUSG-MRXNPFEDSA-N 0 3 277.456 3.124 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)n2)C12CCCCC2 ZINC000602548194 347980137 /nfs/dbraw/zinc/98/01/37/347980137.db2.gz RQOQYRILCCHPCL-DLBZAZTESA-N 0 3 299.418 3.171 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2SCCc3ccccc32)n1 ZINC000602563625 347982842 /nfs/dbraw/zinc/98/28/42/347982842.db2.gz NHYCPNKRZMUMJQ-KRWDZBQOSA-N 0 3 295.411 3.073 20 30 CGEDHN Cc1ccc(C2CCN(CC3(CC#N)CC3)CC2)cn1 ZINC000602800562 348031103 /nfs/dbraw/zinc/03/11/03/348031103.db2.gz AOXFLKZLKYJTHT-UHFFFAOYSA-N 0 3 269.392 3.263 20 30 CGEDHN Cc1cc(C)c(CN2CCC(CC#N)CC2)c(C)n1 ZINC000602807278 348032106 /nfs/dbraw/zinc/03/21/06/348032106.db2.gz RHKJXQMIXUKIEZ-UHFFFAOYSA-N 0 3 257.381 3.133 20 30 CGEDHN COc1cccc([C@@]2(C)CCN(CC3(CC#N)CC3)C2)c1 ZINC000602897888 348041875 /nfs/dbraw/zinc/04/18/75/348041875.db2.gz UHKOBVIJSYKYQB-KRWDZBQOSA-N 0 3 284.403 3.352 20 30 CGEDHN N#CCC1(CN[C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000602926736 348045342 /nfs/dbraw/zinc/04/53/42/348045342.db2.gz WRKYKQVTJIOXNG-CQSZACIVSA-N 0 3 296.773 3.186 20 30 CGEDHN Cc1ncc([C@H](C)NCCOc2cccc(C#N)c2)s1 ZINC000602957321 348047767 /nfs/dbraw/zinc/04/77/67/348047767.db2.gz ROILERXLEVLTFV-NSHDSACASA-N 0 3 287.388 3.053 20 30 CGEDHN COc1cncc(/C=C/CCN(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602982619 348052513 /nfs/dbraw/zinc/05/25/13/348052513.db2.gz VOFOUBGFCGUEJX-OJTKRLQFSA-N 0 3 285.391 3.118 20 30 CGEDHN C=CCCN(C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000606898070 348206002 /nfs/dbraw/zinc/20/60/02/348206002.db2.gz CWWFAAQUCKMNSJ-UHFFFAOYSA-N 0 3 272.348 3.358 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NCc1ccccc1F ZINC000606902592 348206834 /nfs/dbraw/zinc/20/68/34/348206834.db2.gz BDHGUKYREIKYPI-UHFFFAOYSA-N 0 3 292.398 3.120 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccccc2C#N)CC1 ZINC000609269327 348341156 /nfs/dbraw/zinc/34/11/56/348341156.db2.gz XTBJZSXZXYKVIV-UHFFFAOYSA-N 0 3 255.365 3.011 20 30 CGEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(OC)c1 ZINC000610345069 348376549 /nfs/dbraw/zinc/37/65/49/348376549.db2.gz RGLXHBSPOPZMHK-ZDUSSCGKSA-N 0 3 296.370 3.426 20 30 CGEDHN CC(C)CN(CCc1ccc(F)cc1)C(=O)C(C)C#N ZINC000610422169 348382403 /nfs/dbraw/zinc/38/24/03/348382403.db2.gz YOTRMIOULMLMGL-CYBMUJFWSA-N 0 3 276.355 3.012 20 30 CGEDHN CC(C)(C#N)CCCNC(C)(C)C(=O)Nc1ccccc1 ZINC000610844437 348405893 /nfs/dbraw/zinc/40/58/93/348405893.db2.gz AZHSNFZVNZRFCQ-UHFFFAOYSA-N 0 3 287.407 3.323 20 30 CGEDHN CC(C#N)C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000610831720 348405001 /nfs/dbraw/zinc/40/50/01/348405001.db2.gz QBNQVZFUWVJSBF-AWEZNQCLSA-N 0 3 278.355 3.172 20 30 CGEDHN CCN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000611091893 348422285 /nfs/dbraw/zinc/42/22/85/348422285.db2.gz BYXDUGABJSUJHL-HNNXBMFYSA-N 0 3 285.435 3.014 20 30 CGEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)C(C)(C)CO1 ZINC000612077836 348490766 /nfs/dbraw/zinc/49/07/66/348490766.db2.gz SNLRBXUMPHGNGH-UHFFFAOYSA-N 0 3 272.392 3.142 20 30 CGEDHN CC[C@H](CN1CCCC1)Nc1ncc(Cl)c(C)c1C#N ZINC000612080090 348491278 /nfs/dbraw/zinc/49/12/78/348491278.db2.gz IJRUQNDLJOJJHS-GFCCVEGCSA-N 0 3 292.814 3.201 20 30 CGEDHN N#CCC1CCN(Cc2nccc3ccccc32)CC1 ZINC000611622767 348464039 /nfs/dbraw/zinc/46/40/39/348464039.db2.gz AEKLZGMJQZDCET-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN Cc1ccnc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1C#N ZINC000273391581 192136551 /nfs/dbraw/zinc/13/65/51/192136551.db2.gz UYPOTLJVGXFWBZ-SJORKVTESA-N 0 3 292.386 3.119 20 30 CGEDHN CCN(Cc1ccc(Cl)cc1C#N)C[C@H]1CCOC1 ZINC000614160958 348653305 /nfs/dbraw/zinc/65/33/05/348653305.db2.gz ZHILVKWNBMRWJN-GFCCVEGCSA-N 0 3 278.783 3.070 20 30 CGEDHN CO[C@@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614164687 348653417 /nfs/dbraw/zinc/65/34/17/348653417.db2.gz PZRYWPZVJZSQCJ-MRXNPFEDSA-N 0 3 272.392 3.099 20 30 CGEDHN C[C@@H]1[C@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614176819 348654998 /nfs/dbraw/zinc/65/49/98/348654998.db2.gz LXMAESKHZOFSRZ-CABCVRRESA-N 0 3 285.435 3.012 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1C ZINC000614176750 348655445 /nfs/dbraw/zinc/65/54/45/348655445.db2.gz CBPAWUGCLRFQQO-GJZGRUSLSA-N 0 3 285.435 3.012 20 30 CGEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176822 348655539 /nfs/dbraw/zinc/65/55/39/348655539.db2.gz LXMAESKHZOFSRZ-LSDHHAIUSA-N 0 3 285.435 3.012 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccnc2)C1 ZINC000614962868 348703050 /nfs/dbraw/zinc/70/30/50/348703050.db2.gz KBKCFMGMLPXXAO-YOEHRIQHSA-N 0 3 280.375 3.153 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCc2ccc(O)cc2CC1 ZINC000614963201 348703565 /nfs/dbraw/zinc/70/35/65/348703565.db2.gz QOLWEXUNZLOURP-CQSZACIVSA-N 0 3 292.382 3.426 20 30 CGEDHN C[C@H](NCC[C@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000358438335 233132879 /nfs/dbraw/zinc/13/28/79/233132879.db2.gz WIORCXQTRUSTTH-GXTWGEPZSA-N 0 3 276.355 3.307 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000617785522 349013045 /nfs/dbraw/zinc/01/30/45/349013045.db2.gz KXCGZSXSZAQHOR-YHUYYLMFSA-N 0 3 278.440 3.062 20 30 CGEDHN C[C@H](NCCCOCC1CC1)c1ccc(C#N)cc1F ZINC000358572563 233159142 /nfs/dbraw/zinc/15/91/42/233159142.db2.gz QNKDGLTYWRNELN-LBPRGKRZSA-N 0 3 276.355 3.165 20 30 CGEDHN Cc1cc(CNC[C@@H]2OCCc3ccccc32)ccc1C#N ZINC000618193475 349061488 /nfs/dbraw/zinc/06/14/88/349061488.db2.gz HXFUOSBSDVRCRX-IBGZPJMESA-N 0 3 292.382 3.270 20 30 CGEDHN COc1ccc(C)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000618571370 349109002 /nfs/dbraw/zinc/10/90/02/349109002.db2.gz FOAJVYGLLVSQRE-HIFRSBDPSA-N 0 3 258.365 3.176 20 30 CGEDHN N#CCC1(CNCc2cccc3cnccc32)CC1 ZINC000619530041 349257274 /nfs/dbraw/zinc/25/72/74/349257274.db2.gz CMPKVACGVSCNFD-UHFFFAOYSA-N 0 3 251.333 3.018 20 30 CGEDHN CN(C)[C@@]1(CNc2c(Cl)cccc2C#N)CCSC1 ZINC000359002647 233237523 /nfs/dbraw/zinc/23/75/23/233237523.db2.gz MBUSEWBLNJKAEF-CQSZACIVSA-N 0 3 295.839 3.061 20 30 CGEDHN C=CC[C@@H]1N(Cc2cncc(OC)n2)CCCC1(C)C ZINC000625375305 350164817 /nfs/dbraw/zinc/16/48/17/350164817.db2.gz NMFMJSWBHQYPDD-AWEZNQCLSA-N 0 3 275.396 3.052 20 30 CGEDHN C=CCCN(C)Cc1ccc(F)c(F)c1N(C)C ZINC000628247054 350464315 /nfs/dbraw/zinc/46/43/15/350464315.db2.gz MXSCIMWUGPLPNS-UHFFFAOYSA-N 0 3 254.324 3.039 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000628405932 350529454 /nfs/dbraw/zinc/52/94/54/350529454.db2.gz XYORBEPBAUNJOO-CYBMUJFWSA-N 0 3 261.365 3.102 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000628405933 350530132 /nfs/dbraw/zinc/53/01/32/350530132.db2.gz XYORBEPBAUNJOO-ZDUSSCGKSA-N 0 3 261.365 3.102 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)CCC)C1 ZINC000740875979 571890916 /nfs/dbraw/zinc/89/09/16/571890916.db2.gz KSGKBDZJVPSTFF-OAHLLOKOSA-N 0 3 268.445 3.338 20 30 CGEDHN C=CC[C@@H]1N(C(=O)CN(C)C2CCC2)CCCC1(C)C ZINC000629987504 350795355 /nfs/dbraw/zinc/79/53/55/350795355.db2.gz NHXJLFPOULFKDF-HNNXBMFYSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000630806964 350890926 /nfs/dbraw/zinc/89/09/26/350890926.db2.gz CKFPJWHOYPHCKO-RDJZCZTQSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CC[C@H](CC)NCc1ccncc1Br ZINC000631126287 350963490 /nfs/dbraw/zinc/96/34/90/350963490.db2.gz IHXBNQMQFYNNFV-NSHDSACASA-N 0 3 269.186 3.288 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ncnn1C(C)C ZINC000631159566 350973326 /nfs/dbraw/zinc/97/33/26/350973326.db2.gz VXYWXFBDWQKNPX-MRXNPFEDSA-N 0 3 284.407 3.136 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncnn1C(C)C ZINC000631159565 350973694 /nfs/dbraw/zinc/97/36/94/350973694.db2.gz VXYWXFBDWQKNPX-INIZCTEOSA-N 0 3 284.407 3.136 20 30 CGEDHN C=CCCC(C)(C)CN[C@H](C)c1cc2n(n1)CCC2 ZINC000631684764 351119115 /nfs/dbraw/zinc/11/91/15/351119115.db2.gz UONAAGCRMSYIID-CYBMUJFWSA-N 0 3 261.413 3.472 20 30 CGEDHN C=C1CC(C)(C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000631625062 351094310 /nfs/dbraw/zinc/09/43/10/351094310.db2.gz FWQVNEGIMFFJQY-UHFFFAOYSA-N 0 3 272.392 3.351 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000631769014 351139513 /nfs/dbraw/zinc/13/95/13/351139513.db2.gz HDUQOLAXTBKTHF-DOTOQJQBSA-N 0 3 298.430 3.122 20 30 CGEDHN C=CCC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633377506 351288801 /nfs/dbraw/zinc/28/88/01/351288801.db2.gz OYNXLVWSVQAFFJ-UHFFFAOYSA-N 0 3 290.407 3.298 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1cc(C#N)ccc1F ZINC000124185926 187125734 /nfs/dbraw/zinc/12/57/34/187125734.db2.gz UFYKRHPTIUGULG-XJKSGUPXSA-N 0 3 290.382 3.213 20 30 CGEDHN N#Cc1ccc(CNC2CC(c3ccccc3)C2)o1 ZINC000363264432 233968604 /nfs/dbraw/zinc/96/86/04/233968604.db2.gz NAGCDDRFUSLADJ-UHFFFAOYSA-N 0 3 252.317 3.187 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000271622485 191246424 /nfs/dbraw/zinc/24/64/24/191246424.db2.gz BRMDJOKSIYRHJZ-ZYHUDNBSSA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCN(C)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000154758960 188159899 /nfs/dbraw/zinc/15/98/99/188159899.db2.gz JVIAZTUTXWXYSI-UHFFFAOYSA-N 0 3 298.386 3.287 20 30 CGEDHN CSC[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000292460426 198296223 /nfs/dbraw/zinc/29/62/23/198296223.db2.gz QJYPWDCZMDWHOS-AWEZNQCLSA-N 0 3 290.432 3.012 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)CCC1CCOCC1 ZINC000156853877 188284695 /nfs/dbraw/zinc/28/46/95/188284695.db2.gz FFHBMMPICHPPCE-UHFFFAOYSA-N 0 3 291.822 3.440 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2C(F)(F)F)C1 ZINC000349823907 283058171 /nfs/dbraw/zinc/05/81/71/283058171.db2.gz XDKSMNZGCPQDHD-ZYHUDNBSSA-N 0 3 268.282 3.487 20 30 CGEDHN CC(C)[C@H](O)C1(CN[C@H](C)c2cccc(C#N)c2)CC1 ZINC000271873347 191383287 /nfs/dbraw/zinc/38/32/87/191383287.db2.gz NJKJHWKCQACSJR-CJNGLKHVSA-N 0 3 272.392 3.006 20 30 CGEDHN C[C@@H](COCC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 ZINC000271844126 191362767 /nfs/dbraw/zinc/36/27/67/191362767.db2.gz HJUKTQRQXAQKRL-QWRGUYRKSA-N 0 3 286.297 3.176 20 30 CGEDHN C[C@H](NCC(C)(C)OCC1CC1)c1cccc(C#N)c1 ZINC000414260547 235375082 /nfs/dbraw/zinc/37/50/82/235375082.db2.gz IIFVRPCPBMXLQU-ZDUSSCGKSA-N 0 3 272.392 3.414 20 30 CGEDHN N#Cc1ccc(CNCCC[C@H]2CCCCO2)c(F)c1 ZINC000273821983 192320670 /nfs/dbraw/zinc/32/06/70/192320670.db2.gz ORXPDJUVWBVFTR-OAHLLOKOSA-N 0 3 276.355 3.136 20 30 CGEDHN N#Cc1ccccc1-c1ccc(CN2CCCOCC2)cc1 ZINC000374026734 283213705 /nfs/dbraw/zinc/21/37/05/283213705.db2.gz IOSYJPMVNSNEKN-UHFFFAOYSA-N 0 3 292.382 3.448 20 30 CGEDHN N#Cc1cccc(CNCCOc2ccc(F)c(F)c2)c1 ZINC000106470760 138354959 /nfs/dbraw/zinc/35/49/59/138354959.db2.gz MHWKHDKCXVHGSH-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN CC[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000128835271 138395034 /nfs/dbraw/zinc/39/50/34/138395034.db2.gz XMDXVSAAFKYFKA-AWEZNQCLSA-N 0 3 282.391 3.218 20 30 CGEDHN N#Cc1c(F)cccc1CN1CCC[C@H]1C1CCC1 ZINC000428211331 236377941 /nfs/dbraw/zinc/37/79/41/236377941.db2.gz WXXRRFSQGLSKIC-INIZCTEOSA-N 0 3 258.340 3.462 20 30 CGEDHN C[C@H](NC[C@H](C)C(F)(F)F)c1cccc(C#N)c1 ZINC000341780027 216102989 /nfs/dbraw/zinc/10/29/89/216102989.db2.gz QRWJOHNRXBZIHR-UWVGGRQHSA-N 0 3 256.271 3.407 20 30 CGEDHN CCCN(CCC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000297973044 200311499 /nfs/dbraw/zinc/31/14/99/200311499.db2.gz VNOJVVXEQRTIIR-GFCCVEGCSA-N 0 3 291.395 3.217 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cc(C#N)ccn2)C1 ZINC000341825216 216118680 /nfs/dbraw/zinc/11/86/80/216118680.db2.gz PUOUSBUHYAFWCC-YOEHRIQHSA-N 0 3 292.386 3.201 20 30 CGEDHN CC/C=C/CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000342228420 216269941 /nfs/dbraw/zinc/26/99/41/216269941.db2.gz DHFOEKNIGLMWOI-ONEGZZNKSA-N 0 3 283.419 3.032 20 30 CGEDHN CO[C@H](CN[C@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000181844090 189308156 /nfs/dbraw/zinc/30/81/56/189308156.db2.gz HOPQISNKSYADKJ-IUODEOHRSA-N 0 3 260.381 3.270 20 30 CGEDHN C[C@H](NCCOCc1ccccc1)c1cccc(C#N)c1 ZINC000181849563 189308176 /nfs/dbraw/zinc/30/81/76/189308176.db2.gz WFCFXJIXVOLHDT-HNNXBMFYSA-N 0 3 280.371 3.426 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCC[C@@H](C)N1CCCCC1 ZINC000302149284 201367416 /nfs/dbraw/zinc/36/74/16/201367416.db2.gz SPVYFTZWXIWASW-CQSZACIVSA-N 0 3 299.418 3.437 20 30 CGEDHN Cc1cccc([C@@H]2CCCN2CCC(C)(C)C#N)n1 ZINC000119994383 370730669 /nfs/dbraw/zinc/73/06/69/370730669.db2.gz YVHXKUDYMDENOU-HNNXBMFYSA-N 0 3 257.381 3.467 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H]2CCC=CO2)cc1 ZINC000275783719 193127233 /nfs/dbraw/zinc/12/72/33/193127233.db2.gz IHCHKVBVFPMZGI-INIZCTEOSA-N 0 3 259.349 3.034 20 30 CGEDHN C=CCC[C@@H](O)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000121450996 370862600 /nfs/dbraw/zinc/86/26/00/370862600.db2.gz AMPNARBACYOAGF-QGZVFWFLSA-N 0 3 275.367 3.242 20 30 CGEDHN C=CCN(C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000121580175 370876026 /nfs/dbraw/zinc/87/60/26/370876026.db2.gz CWEUOXLRGZKFSX-UHFFFAOYSA-N 0 3 277.755 3.050 20 30 CGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000275974683 193178044 /nfs/dbraw/zinc/17/80/44/193178044.db2.gz DDKIUXKPXMASAK-MRXNPFEDSA-N 0 3 260.381 3.289 20 30 CGEDHN CCC[C@@H](C)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000486798016 243373639 /nfs/dbraw/zinc/37/36/39/243373639.db2.gz FLCQYQHJHUARKM-RHSMWYFYSA-N 0 3 299.418 3.397 20 30 CGEDHN C=C(C)CN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125510056 370937409 /nfs/dbraw/zinc/93/74/09/370937409.db2.gz RFONZJWODBGGSQ-UHFFFAOYSA-N 0 3 273.302 3.184 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCOc1ccccc1C#N ZINC000034674270 368976533 /nfs/dbraw/zinc/97/65/33/368976533.db2.gz MKFGDCGNCTXIRS-OKILXGFUSA-N 0 3 258.365 3.200 20 30 CGEDHN CCN1CCC(Nc2cc(Cl)ccc2C#N)CC1 ZINC000036954269 369041693 /nfs/dbraw/zinc/04/16/93/369041693.db2.gz SKPWNINSXVPHSI-UHFFFAOYSA-N 0 3 263.772 3.108 20 30 CGEDHN N#Cc1cccc(NC2CCN(c3ccncc3)CC2)c1 ZINC000036961199 369042732 /nfs/dbraw/zinc/04/27/32/369042732.db2.gz QUROXUFNNHZDLO-UHFFFAOYSA-N 0 3 278.359 3.034 20 30 CGEDHN N#CC(C(=O)c1ccoc1)c1ccc(C(F)(F)F)cn1 ZINC000041553895 369191244 /nfs/dbraw/zinc/19/12/44/369191244.db2.gz KIUKYFIOSCWIPD-JTQLQIEISA-N 0 3 280.205 3.183 20 30 CGEDHN Cc1cccc(N2CCN(CCCCC#N)CC2)c1C ZINC000042312536 369212103 /nfs/dbraw/zinc/21/21/03/369212103.db2.gz CJKUSUSQRQKBFO-UHFFFAOYSA-N 0 3 271.408 3.119 20 30 CGEDHN CN(C/C=C\c1ccncc1)Cc1ccc(C#N)cc1 ZINC000495099764 244357289 /nfs/dbraw/zinc/35/72/89/244357289.db2.gz RZYBYUPKLDGKEW-IHWYPQMZSA-N 0 3 263.344 3.098 20 30 CGEDHN CN(C/C=C/c1ccncc1)Cc1ccc(C#N)cc1 ZINC000495099765 244357666 /nfs/dbraw/zinc/35/76/66/244357666.db2.gz RZYBYUPKLDGKEW-NSCUHMNNSA-N 0 3 263.344 3.098 20 30 CGEDHN N#Cc1cc(C(F)(F)F)ccc1NCCN1CCCCC1 ZINC000049575524 369411322 /nfs/dbraw/zinc/41/13/22/369411322.db2.gz YZMCJUKVBVIOBU-UHFFFAOYSA-N 0 3 297.324 3.475 20 30 CGEDHN CC[C@H](C)N1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000055079975 369510383 /nfs/dbraw/zinc/51/03/83/369510383.db2.gz IVYHUXRAEJRDBJ-LBPRGKRZSA-N 0 3 277.799 3.132 20 30 CGEDHN C=C(C)CN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000068253977 369740632 /nfs/dbraw/zinc/74/06/32/369740632.db2.gz WOEYLNZXKNVZDT-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000093250933 370113826 /nfs/dbraw/zinc/11/38/26/370113826.db2.gz BORTWEBTDIHPII-KBPBESRZSA-N 0 3 287.407 3.253 20 30 CGEDHN C[C@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CN1C1CC1 ZINC000090665832 370063742 /nfs/dbraw/zinc/06/37/42/370063742.db2.gz HKYXBIGXNVAWJD-ZVZYQTTQSA-N 0 3 283.419 3.246 20 30 CGEDHN C=CCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401338 370304351 /nfs/dbraw/zinc/30/43/51/370304351.db2.gz PHBHFKOUQOHSMV-ZDUSSCGKSA-N 0 3 287.338 3.241 20 30 CGEDHN C[C@H](C#N)CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000106367195 370351629 /nfs/dbraw/zinc/35/16/29/370351629.db2.gz ZNLDWOYAJXCLHT-QMTHXVAHSA-N 0 3 293.208 3.056 20 30 CGEDHN CSCC[C@@H](C)N(C)Cc1cccc(C#N)c1F ZINC000219526435 376201858 /nfs/dbraw/zinc/20/18/58/376201858.db2.gz QHHGLHNIJQJFHK-LLVKDONJSA-N 0 3 266.385 3.271 20 30 CGEDHN CC[C@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000130406964 371032048 /nfs/dbraw/zinc/03/20/48/371032048.db2.gz AOJNYQZTQIAWPT-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H]2CCOC2)cc1Cl ZINC000132025997 371146358 /nfs/dbraw/zinc/14/63/58/371146358.db2.gz IUJBDFOBQKRDDT-CYBMUJFWSA-N 0 3 281.783 3.126 20 30 CGEDHN CC(C)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135119562 371391683 /nfs/dbraw/zinc/39/16/83/371391683.db2.gz XEGZKLBZIIQONV-UHFFFAOYSA-N 0 3 285.435 3.014 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000136958683 371488371 /nfs/dbraw/zinc/48/83/71/371488371.db2.gz JARFWTGEXHSGMG-OCCSQVGLSA-N 0 3 275.352 3.198 20 30 CGEDHN C=CCN(CC=C)[C@H](CNCc1ccco1)C(C)C ZINC000150949509 371551276 /nfs/dbraw/zinc/55/12/76/371551276.db2.gz MMFAIVJUAVXEKM-MRXNPFEDSA-N 0 3 262.397 3.068 20 30 CGEDHN CCOC[C@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000353310249 220021022 /nfs/dbraw/zinc/02/10/22/220021022.db2.gz XZRYKFSYAYMKRO-WBMJQRKESA-N 0 3 278.371 3.409 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cncs1)C(C)C ZINC000152068103 371670056 /nfs/dbraw/zinc/67/00/56/371670056.db2.gz FPEWYWSYBGCTOW-HUUCEWRRSA-N 0 3 293.480 3.492 20 30 CGEDHN CCOC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000353310248 220021294 /nfs/dbraw/zinc/02/12/94/220021294.db2.gz XZRYKFSYAYMKRO-MLGOLLRUSA-N 0 3 278.371 3.409 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2cc(C#N)ccn2)CN1Cc1ccccc1 ZINC000287981615 371723297 /nfs/dbraw/zinc/72/32/97/371723297.db2.gz UXHSTCCBFAMQHW-RHSMWYFYSA-N 0 3 292.386 3.028 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2OC(F)F)s1 ZINC000337318824 214003817 /nfs/dbraw/zinc/00/38/17/214003817.db2.gz YOECFBFKMFRMBN-NWDGAFQWSA-N 0 3 286.347 3.260 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C3CC3)C2)cc1C#N ZINC000344092280 217046109 /nfs/dbraw/zinc/04/61/09/217046109.db2.gz JXLOFKYPDLUVSH-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000290462101 371993686 /nfs/dbraw/zinc/99/36/86/371993686.db2.gz WNYXZAHDFQXPBM-DEYYWGMASA-N 0 3 280.371 3.331 20 30 CGEDHN CN(Cc1cc(F)ccc1C#N)C(C1CC1)C1CC1 ZINC000159034787 372100720 /nfs/dbraw/zinc/10/07/20/372100720.db2.gz FCVSFOPTDUHUHY-UHFFFAOYSA-N 0 3 258.340 3.318 20 30 CGEDHN C=CC[C@H]1N(Cc2cc(C)ncn2)CCCC1(C)C ZINC000292775203 372207569 /nfs/dbraw/zinc/20/75/69/372207569.db2.gz JBLIJWWVJAPSGG-OAHLLOKOSA-N 0 3 259.397 3.352 20 30 CGEDHN COc1cc(CN2CCC[C@@H](CSC)C2)ccc1C#N ZINC000292826154 372219577 /nfs/dbraw/zinc/21/95/77/372219577.db2.gz QNZYNEPGFSZSHM-CQSZACIVSA-N 0 3 290.432 3.142 20 30 CGEDHN C=CCN(CCC1CCOCC1)Cc1ccc(OC)cc1 ZINC000292759733 372203447 /nfs/dbraw/zinc/20/34/47/372203447.db2.gz XLUYVYZIILHABT-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN C=C(C)CN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000292935450 372254758 /nfs/dbraw/zinc/25/47/58/372254758.db2.gz JKAODDZPMBFVMJ-GFCCVEGCSA-N 0 3 259.328 3.238 20 30 CGEDHN CC(C)N(CC(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000428863415 372273988 /nfs/dbraw/zinc/27/39/88/372273988.db2.gz QALUGBCLLXAGBZ-OAHLLOKOSA-N 0 3 299.418 3.020 20 30 CGEDHN Cc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccc1C#N ZINC000429255126 372329565 /nfs/dbraw/zinc/32/95/65/372329565.db2.gz MAXMFIRNHAVGJP-SFHVURJKSA-N 0 3 284.403 3.115 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(F)c(F)c1 ZINC000429786241 372377867 /nfs/dbraw/zinc/37/78/67/372377867.db2.gz UAKHICIZPIXRBC-SNVBAGLBSA-N 0 3 250.292 3.309 20 30 CGEDHN C=CCOCCN1CCC[C@H]1c1cccc(OC)c1 ZINC000293432752 372381296 /nfs/dbraw/zinc/38/12/96/372381296.db2.gz JLLKFFLUBSJFRQ-INIZCTEOSA-N 0 3 261.365 3.035 20 30 CGEDHN Cc1ccccc1[C@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000431423948 372470488 /nfs/dbraw/zinc/47/04/88/372470488.db2.gz WVYBOLWWFBIICR-JSGCOSHPSA-N 0 3 258.365 3.358 20 30 CGEDHN CC(C)CCN(CCC#N)CCC1CCOCC1 ZINC000432834776 372574480 /nfs/dbraw/zinc/57/44/80/372574480.db2.gz KSVUEWGRUBQPAD-UHFFFAOYSA-N 0 3 252.402 3.065 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000433110304 372582033 /nfs/dbraw/zinc/58/20/33/372582033.db2.gz ABWDQZVIIPGZHR-ZBFHGGJFSA-N 0 3 293.370 3.031 20 30 CGEDHN CC(C)CN(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433234613 372584005 /nfs/dbraw/zinc/58/40/05/372584005.db2.gz SNYJIGAXNRLUCF-MRXNPFEDSA-N 0 3 284.403 3.406 20 30 CGEDHN CCCN(CC(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000433347503 372596138 /nfs/dbraw/zinc/59/61/38/372596138.db2.gz NLELXDMLKAWJGX-CQSZACIVSA-N 0 3 294.345 3.263 20 30 CGEDHN CCCO[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000170989283 372697395 /nfs/dbraw/zinc/69/73/95/372697395.db2.gz IGHBXAKKVKPQOJ-KRWDZBQOSA-N 0 3 272.392 3.339 20 30 CGEDHN CN(C)c1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353430359 220076976 /nfs/dbraw/zinc/07/69/76/220076976.db2.gz WQDFWDDOMYRYHE-LJQANCHMSA-N 0 3 291.398 3.401 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNc1ccnc2ccc(C)cc21 ZINC000435594334 372781480 /nfs/dbraw/zinc/78/14/80/372781480.db2.gz WEZRDGJIKACYPC-RDTXWAMCSA-N 0 3 282.387 3.358 20 30 CGEDHN CC1(C)CCC[C@@](O)(CNCc2ccc(C#N)s2)C1 ZINC000438348244 372934619 /nfs/dbraw/zinc/93/46/19/372934619.db2.gz XFKHSBJLQLQZBU-HNNXBMFYSA-N 0 3 278.421 3.041 20 30 CGEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)C[C@@H]2C)C1=O ZINC000439318377 372977053 /nfs/dbraw/zinc/97/70/53/372977053.db2.gz QNNBMHAGLPLZDT-JQHSSLGASA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCN(CCC(=O)OC(C)C)Cc1ccc(OC)cc1 ZINC000441210608 373001058 /nfs/dbraw/zinc/00/10/58/373001058.db2.gz PHXLBLUZLGJQNX-UHFFFAOYSA-N 0 3 291.391 3.025 20 30 CGEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000441665133 373030750 /nfs/dbraw/zinc/03/07/50/373030750.db2.gz HLKWFFCTQMTBBZ-MRXNPFEDSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@H](COc1ccc(F)cc1F)N[C@H]1CC[C@@H](C#N)C1 ZINC000442777746 373078248 /nfs/dbraw/zinc/07/82/48/373078248.db2.gz ABZNWZKPCSZSAB-WZRBSPASSA-N 0 3 280.318 3.014 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000444624443 373215094 /nfs/dbraw/zinc/21/50/94/373215094.db2.gz LYBVKMBMUNLUQZ-NEPJUHHUSA-N 0 3 292.345 3.094 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C(C)C)C1 ZINC000444751974 373258406 /nfs/dbraw/zinc/25/84/06/373258406.db2.gz RGPFAJIJQTXMRO-HNNXBMFYSA-N 0 3 272.392 3.435 20 30 CGEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000444753545 373261346 /nfs/dbraw/zinc/26/13/46/373261346.db2.gz OLERSBPSKHTAMN-GOEBONIOSA-N 0 3 299.418 3.253 20 30 CGEDHN CCC[C@@]1(CO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000444771922 373267098 /nfs/dbraw/zinc/26/70/98/373267098.db2.gz SFBAIWLMDHPLPY-KRWDZBQOSA-N 0 3 291.822 3.319 20 30 CGEDHN C=CC[C@H]1N(Cc2n[nH]c(C3CC3)n2)CCCC1(C)C ZINC000444774043 373269893 /nfs/dbraw/zinc/26/98/93/373269893.db2.gz HHNYDMNUZLSMCJ-CYBMUJFWSA-N 0 3 274.412 3.249 20 30 CGEDHN COc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1C#N ZINC000174318842 373291167 /nfs/dbraw/zinc/29/11/67/373291167.db2.gz NOOKKRWUCICMCM-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN Cc1csc(CCCCNCc2ccc(C#N)o2)n1 ZINC000174338474 373295283 /nfs/dbraw/zinc/29/52/83/373295283.db2.gz WYUTUAHAKMTCKD-UHFFFAOYSA-N 0 3 275.377 3.029 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2C[C@@H]2c2ccccc2)o1 ZINC000174378378 373303547 /nfs/dbraw/zinc/30/35/47/373303547.db2.gz ZFMLHOFHNPZFHT-CZUORRHYSA-N 0 3 252.317 3.045 20 30 CGEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OCCC(C)C)c1 ZINC000446649309 373337264 /nfs/dbraw/zinc/33/72/64/373337264.db2.gz QAZZKYSWASTXSU-CQSZACIVSA-N 0 3 288.391 3.196 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000446875021 373373237 /nfs/dbraw/zinc/37/32/37/373373237.db2.gz HPNPDSPVUWCAIG-XHDPSFHLSA-N 0 3 274.339 3.333 20 30 CGEDHN C=C(C)CN1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447389988 373431555 /nfs/dbraw/zinc/43/15/55/373431555.db2.gz CIWAXOHHFUBFOL-HNNXBMFYSA-N 0 3 281.403 3.321 20 30 CGEDHN CCc1nn(C)cc1CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000447580533 373455419 /nfs/dbraw/zinc/45/54/19/373455419.db2.gz OSHZQHSRTMJEIQ-INIZCTEOSA-N 0 3 282.391 3.095 20 30 CGEDHN CC(C)c1ccc2ncc(C#N)c(N(C)CCN(C)C)c2c1 ZINC000447691972 373472216 /nfs/dbraw/zinc/47/22/16/373472216.db2.gz XLXQNGXOAKAXSG-UHFFFAOYSA-N 0 3 296.418 3.228 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000447837563 373506643 /nfs/dbraw/zinc/50/66/43/373506643.db2.gz VPVCWHRNNXNTPF-WMLDXEAASA-N 0 3 291.822 3.317 20 30 CGEDHN C#CCN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175863249 373529477 /nfs/dbraw/zinc/52/94/77/373529477.db2.gz KFTOPNHXEWJVFD-KBPBESRZSA-N 0 3 263.406 3.049 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)[C@]2(C#N)C[C@H]2C)c1 ZINC000448674288 373633813 /nfs/dbraw/zinc/63/38/13/373633813.db2.gz FPXTWFQANCLLER-DYVFJYSZSA-N 0 3 285.391 3.017 20 30 CGEDHN CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000449284874 373677726 /nfs/dbraw/zinc/67/77/26/373677726.db2.gz PMNLZSQJLRHVPF-LFOFOYIVSA-N 0 3 289.427 3.441 20 30 CGEDHN CC[C@@H](C)c1nnc([C@@H](C)NC2CCC(C)(C#N)CC2)[nH]1 ZINC000449284874 373677730 /nfs/dbraw/zinc/67/77/30/373677730.db2.gz PMNLZSQJLRHVPF-LFOFOYIVSA-N 0 3 289.427 3.441 20 30 CGEDHN C=CC(C)(C)CNCc1cnc([C@@H]2CCCO2)s1 ZINC000449483802 373774095 /nfs/dbraw/zinc/77/40/95/373774095.db2.gz CIFHSMHYJOBECY-LBPRGKRZSA-N 0 3 266.410 3.296 20 30 CGEDHN C=CCN1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 ZINC000301808379 373804961 /nfs/dbraw/zinc/80/49/61/373804961.db2.gz GFGCIUIQOCXGNU-UHFFFAOYSA-N 0 3 292.386 3.169 20 30 CGEDHN C=CCO[C@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000302202314 373827232 /nfs/dbraw/zinc/82/72/32/373827232.db2.gz ZTYYQNGSVZHSPK-AWEZNQCLSA-N 0 3 268.360 3.325 20 30 CGEDHN N#Cc1ccc(C(F)(F)F)c(NCCN2CCCCC2)c1 ZINC000302231674 373837661 /nfs/dbraw/zinc/83/76/61/373837661.db2.gz CYVZVVWJPQBENH-UHFFFAOYSA-N 0 3 297.324 3.475 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OC)C(C)(C)C2)c1 ZINC000449502922 373800079 /nfs/dbraw/zinc/80/00/79/373800079.db2.gz SGHDKUXFCQSGTL-KRWDZBQOSA-N 0 3 289.419 3.498 20 30 CGEDHN N#CC(C(=O)c1cnc2ccc(F)cc2c1)c1ccccn1 ZINC000179609822 373895562 /nfs/dbraw/zinc/89/55/62/373895562.db2.gz MNSZTGRTPYPMNQ-CQSZACIVSA-N 0 3 291.285 3.259 20 30 CGEDHN C=CCC[C@H](CO)NCc1cnc(-c2ccccc2)s1 ZINC000449694528 373844964 /nfs/dbraw/zinc/84/49/64/373844964.db2.gz BWUAUCHQZLTCCL-CQSZACIVSA-N 0 3 288.416 3.227 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3)C2)cc1F ZINC000449732556 373858946 /nfs/dbraw/zinc/85/89/46/373858946.db2.gz BTPKBTYIGFFAIZ-MRXNPFEDSA-N 0 3 295.361 3.066 20 30 CGEDHN C=C(CC)CNCc1ccc(SC)c(OC)c1 ZINC000449733723 373861116 /nfs/dbraw/zinc/86/11/16/373861116.db2.gz PXKJCLZKNDUPNK-UHFFFAOYSA-N 0 3 251.395 3.473 20 30 CGEDHN C=C(CC)CNCc1ccc(-c2cnn(C)c2)s1 ZINC000449735667 373863110 /nfs/dbraw/zinc/86/31/10/373863110.db2.gz RTWGJKZSHGZZCU-UHFFFAOYSA-N 0 3 261.394 3.204 20 30 CGEDHN C=CCNC(=O)CN[C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000180037174 373957214 /nfs/dbraw/zinc/95/72/14/373957214.db2.gz ZFWFSHLLVGUYHR-HNNXBMFYSA-N 0 3 294.398 3.306 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000179790187 373917896 /nfs/dbraw/zinc/91/78/96/373917896.db2.gz UYTSPJANTSGQGI-AWEZNQCLSA-N 0 3 274.408 3.223 20 30 CGEDHN C=CCNC(=O)CN[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000179804517 373919561 /nfs/dbraw/zinc/91/95/61/373919561.db2.gz ODBLFLKEHCARNH-OAHLLOKOSA-N 0 3 292.398 3.195 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450691759 374172587 /nfs/dbraw/zinc/17/25/87/374172587.db2.gz ALXJSQDXVYIJBX-APWZRJJASA-N 0 3 299.414 3.475 20 30 CGEDHN CC(C)(CNCc1nc(C#N)cs1)C1=CCCC1 ZINC000308768344 374179436 /nfs/dbraw/zinc/17/94/36/374179436.db2.gz IGWBOGWBKUNYDD-UHFFFAOYSA-N 0 3 261.394 3.241 20 30 CGEDHN Cc1cc(Cl)cc(C[NH2+]CCCCC#N)c1[O-] ZINC000182195261 374233164 /nfs/dbraw/zinc/23/31/64/374233164.db2.gz ZDMAOTJKGMKBKS-UHFFFAOYSA-N 0 3 252.745 3.138 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C(C)(C)C)C1 ZINC000317334263 374339308 /nfs/dbraw/zinc/33/93/08/374339308.db2.gz AHGHHKPZUAFZDX-HIFRSBDPSA-N 0 3 299.418 3.253 20 30 CGEDHN C[C@@H](CN(C)Cc1ccccc1)NCc1cc(C#N)cs1 ZINC000182682705 374313734 /nfs/dbraw/zinc/31/37/34/374313734.db2.gz WYCPNFWLUNWKPC-AWEZNQCLSA-N 0 3 299.443 3.230 20 30 CGEDHN CC1(C)CCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000330194753 374449102 /nfs/dbraw/zinc/44/91/02/374449102.db2.gz BGPWTZPEEDCMAU-LBPRGKRZSA-N 0 3 293.436 3.388 20 30 CGEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000453369350 374455733 /nfs/dbraw/zinc/45/57/33/374455733.db2.gz QRTSNMBEQZDBGA-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(C)(C)C[NH+](C)C ZINC000330501920 374473625 /nfs/dbraw/zinc/47/36/25/374473625.db2.gz VVYVTXPWXXTBFW-SNVBAGLBSA-N 0 3 298.814 3.327 20 30 CGEDHN C=CCCCCN1CCN(CCc2cccs2)CC1 ZINC000574518855 335026103 /nfs/dbraw/zinc/02/61/03/335026103.db2.gz NXJJFUWDHOKMFQ-UHFFFAOYSA-N 0 3 278.465 3.265 20 30 CGEDHN CC1(C)CCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332150992 374557213 /nfs/dbraw/zinc/55/72/13/374557213.db2.gz HGNRHBRHENKPGY-AWEZNQCLSA-N 0 3 296.374 3.277 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000185190540 374605657 /nfs/dbraw/zinc/60/56/57/374605657.db2.gz RDBSVPXEUGSTQQ-IAGOWNOFSA-N 0 3 290.382 3.381 20 30 CGEDHN CC[C@H]1[C@@H](C)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185598432 374695416 /nfs/dbraw/zinc/69/54/16/374695416.db2.gz XUAQLYHHXNGUAY-WFASDCNBSA-N 0 3 296.374 3.229 20 30 CGEDHN C=CCN(CCCc1cncn1C)Cc1ccccc1F ZINC000574529937 335027528 /nfs/dbraw/zinc/02/75/28/335027528.db2.gz NXPATMMSMUDOOU-UHFFFAOYSA-N 0 3 287.382 3.180 20 30 CGEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000185761890 374731875 /nfs/dbraw/zinc/73/18/75/374731875.db2.gz XVSVVNGNRYLVOY-IJEWVQPXSA-N 0 3 295.390 3.000 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000186311915 374830414 /nfs/dbraw/zinc/83/04/14/374830414.db2.gz VODFGOYCPATNCC-DLBZAZTESA-N 0 3 290.382 3.381 20 30 CGEDHN CCCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000469637886 374990983 /nfs/dbraw/zinc/99/09/83/374990983.db2.gz RGEKWUHESZLEQX-HNNXBMFYSA-N 0 3 272.392 3.454 20 30 CGEDHN CC#CCCN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469748665 374991016 /nfs/dbraw/zinc/99/10/16/374991016.db2.gz MOIUTMRYBLFWEI-UHFFFAOYSA-N 0 3 285.309 3.429 20 30 CGEDHN C=CCOCCCN(C)CCOc1cccc(Cl)c1 ZINC000470723620 374998654 /nfs/dbraw/zinc/99/86/54/374998654.db2.gz QLLXNXIBVXHORD-UHFFFAOYSA-N 0 3 283.799 3.243 20 30 CGEDHN CC[C@@]1(CO)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000187554219 375041291 /nfs/dbraw/zinc/04/12/91/375041291.db2.gz QGQYPCJSZJQJJF-WMLDXEAASA-N 0 3 272.392 3.104 20 30 CGEDHN CC(C)(C)[C@@H](CCO)NCc1ccc(Cl)cc1C#N ZINC000187449361 375024502 /nfs/dbraw/zinc/02/45/02/375024502.db2.gz QKIXALRIQKSKLS-CQSZACIVSA-N 0 3 280.799 3.098 20 30 CGEDHN C=C(C)[C@H](NCC[C@@H]1CCOC1=O)c1ccc(F)c(F)c1 ZINC000187777795 375093146 /nfs/dbraw/zinc/09/31/46/375093146.db2.gz QSLATUJSAQBGSJ-ABAIWWIYSA-N 0 3 295.329 3.125 20 30 CGEDHN N#CC1(CNC2CCC3(CCOCC3)CC2)CCC1 ZINC000334928310 375045749 /nfs/dbraw/zinc/04/57/49/375045749.db2.gz IGLPZTINYBBRMW-UHFFFAOYSA-N 0 3 262.397 3.009 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)C(C)C(F)(F)F)c1 ZINC000335120305 375148414 /nfs/dbraw/zinc/14/84/14/375148414.db2.gz WANWQYRTIHLBLO-QMMMGPOBSA-N 0 3 256.227 3.004 20 30 CGEDHN CC#CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000482154710 375167972 /nfs/dbraw/zinc/16/79/72/375167972.db2.gz GZMJRNWRMVWELA-UHFFFAOYSA-N 0 3 284.315 3.358 20 30 CGEDHN CC(C)C[C@@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000487445601 375242025 /nfs/dbraw/zinc/24/20/25/375242025.db2.gz VJZIXAPDNKPQHF-SJLPKXTDSA-N 0 3 285.435 3.303 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)CC#Cc2ccccc2)C1(C)C ZINC000483970491 375185559 /nfs/dbraw/zinc/18/55/59/375185559.db2.gz CGRGXNTZLHQXFH-DLBZAZTESA-N 0 3 271.404 3.174 20 30 CGEDHN C=CCCCCCN[C@H](CO)c1ccc(F)cc1 ZINC000488254073 375306751 /nfs/dbraw/zinc/30/67/51/375306751.db2.gz XEJVRDOWHGEJCX-OAHLLOKOSA-N 0 3 251.345 3.195 20 30 CGEDHN CC(C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000489181071 375314810 /nfs/dbraw/zinc/31/48/10/375314810.db2.gz SKZMADSFQSMEFF-BZOOQXSSSA-N 0 3 270.376 3.163 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494660935 375490002 /nfs/dbraw/zinc/49/00/02/375490002.db2.gz HLUXYZACHXFFMO-GOSISDBHSA-N 0 3 284.403 3.144 20 30 CGEDHN C=CCN(C)CCOc1cc(Cl)ccc1Cl ZINC000494687672 375491923 /nfs/dbraw/zinc/49/19/23/375491923.db2.gz GHTQYCHZDHBMNW-UHFFFAOYSA-N 0 3 260.164 3.490 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000335998074 375605156 /nfs/dbraw/zinc/60/51/56/375605156.db2.gz LWGWNXVROKYMOW-LDYMZIIASA-N 0 3 280.780 3.153 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000336001780 375608622 /nfs/dbraw/zinc/60/86/22/375608622.db2.gz HJYXHITXXJTXJH-GOSISDBHSA-N 0 3 277.371 3.333 20 30 CGEDHN C=CCC[C@H](O)CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503433293 375650853 /nfs/dbraw/zinc/65/08/53/375650853.db2.gz PMFDQBJKIKCNIZ-KCXAZCMYSA-N 0 3 279.811 3.492 20 30 CGEDHN CSC[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192077756 375695854 /nfs/dbraw/zinc/69/58/54/375695854.db2.gz VHJZCYNELQDVFW-CYBMUJFWSA-N 0 3 264.369 3.025 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCS[C@@H](C)CC1 ZINC000192170510 375706143 /nfs/dbraw/zinc/70/61/43/375706143.db2.gz MMTIFGPKZHCDGT-STQMWFEESA-N 0 3 260.406 3.447 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3ccccc3n2)C1 ZINC000336252562 375764245 /nfs/dbraw/zinc/76/42/45/375764245.db2.gz UEJLFWZIXIBRMP-DZGCQCFKSA-N 0 3 265.360 3.407 20 30 CGEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1sccc1C#N ZINC000192624024 375773377 /nfs/dbraw/zinc/77/33/77/375773377.db2.gz HSLPVUIMQBWNMP-WCQYABFASA-N 0 3 291.420 3.069 20 30 CGEDHN C=C(C)CCN(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000509373686 375779322 /nfs/dbraw/zinc/77/93/22/375779322.db2.gz PMBRZXMTWSIPOE-HNNXBMFYSA-N 0 3 288.435 3.454 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@@H](CCCO)c2ccccc2)C1 ZINC000192892177 375799939 /nfs/dbraw/zinc/79/99/39/375799939.db2.gz BKICDQNNIANIJD-XIRDDKMYSA-N 0 3 272.392 3.172 20 30 CGEDHN Cc1cc(CN2C[C@H](C(N)=O)CC[C@H]2C)ccc1C#N ZINC000336546572 375823318 /nfs/dbraw/zinc/82/33/18/375823318.db2.gz YRFHJBQSPKPOAV-IUODEOHRSA-N 0 3 271.364 3.002 20 30 CGEDHN Cc1cc(CN2C[C@@H](C(N)=O)CC[C@H]2C)ccc1C#N ZINC000336546571 375823856 /nfs/dbraw/zinc/82/38/56/375823856.db2.gz YRFHJBQSPKPOAV-DOMZBBRYSA-N 0 3 271.364 3.002 20 30 CGEDHN CCCNc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000193154774 375833783 /nfs/dbraw/zinc/83/37/83/375833783.db2.gz CBYTTXMIJDCIGX-UHFFFAOYSA-N 0 3 282.391 3.008 20 30 CGEDHN C=CCN1CC[C@H](N(C)Cc2cccc3ccccc32)C1=O ZINC000337125681 376085899 /nfs/dbraw/zinc/08/58/99/376085899.db2.gz FEZRPVUAWIXOLE-SFHVURJKSA-N 0 3 294.398 3.059 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccc(C)c(C)c2)C1=O ZINC000337145227 376101187 /nfs/dbraw/zinc/10/11/87/376101187.db2.gz XGSFCUQWOCXQSO-QZTJIDSGSA-N 0 3 298.430 3.227 20 30 CGEDHN CC(C)OC[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000337253194 376168168 /nfs/dbraw/zinc/16/81/68/376168168.db2.gz LMSVRKYAYGXUOL-GOEBONIOSA-N 0 3 260.381 3.435 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337278822 376187592 /nfs/dbraw/zinc/18/75/92/376187592.db2.gz HSNJJSABYSCMJF-RYUDHWBXSA-N 0 3 286.347 3.260 20 30 CGEDHN COCC[C@@H](NCc1cc(C#N)ccc1F)C(C)(C)C ZINC000338351975 376344204 /nfs/dbraw/zinc/34/42/04/376344204.db2.gz SIQVIAHJDSBRLH-OAHLLOKOSA-N 0 3 278.371 3.238 20 30 CGEDHN C=C(CC)CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000539104567 376295826 /nfs/dbraw/zinc/29/58/26/376295826.db2.gz MJXFSXWDGOZHQI-AWEZNQCLSA-N 0 3 267.413 3.396 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1ccc(Cl)cc1)[C@@H](C)CC ZINC000539315782 376303555 /nfs/dbraw/zinc/30/35/55/376303555.db2.gz OMCOUADXYLPHMT-BLLLJJGKSA-N 0 3 294.826 3.319 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000539299840 376303875 /nfs/dbraw/zinc/30/38/75/376303875.db2.gz LUERGYQZUMLCIJ-DMDPSCGWSA-N 0 3 283.462 3.448 20 30 CGEDHN C=CCCN(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000338544941 376417587 /nfs/dbraw/zinc/41/75/87/376417587.db2.gz AMUNDPDQHUGSCI-UHFFFAOYSA-N 0 3 269.392 3.497 20 30 CGEDHN C[C@@H]1C[C@@H](CCNCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000338476033 376386673 /nfs/dbraw/zinc/38/66/73/376386673.db2.gz FPNZUHIEJZFGSI-BTTYYORXSA-N 0 3 290.382 3.381 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2cn[nH]c21)c1ccc(C#N)cc1F ZINC000334308418 206345427 /nfs/dbraw/zinc/34/54/27/206345427.db2.gz DXDQTORAUQIYMI-ZUZCIYMTSA-N 0 3 284.338 3.149 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1CCCC1)c1ccc(C#N)cc1 ZINC000232129236 376576922 /nfs/dbraw/zinc/57/69/22/376576922.db2.gz UTUKIWGSMKWMMW-DYVFJYSZSA-N 0 3 272.392 3.150 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCc1ccccc1O ZINC000543246019 376624289 /nfs/dbraw/zinc/62/42/89/376624289.db2.gz ZSNJIOUHOOXLMM-CQSZACIVSA-N 0 3 280.371 3.499 20 30 CGEDHN CC(C)n1cc([C@@H](C)NCc2ccc(CC#N)cc2)cn1 ZINC000543506251 376652351 /nfs/dbraw/zinc/65/23/51/376652351.db2.gz XUWWVKUREICAJX-CQSZACIVSA-N 0 3 282.391 3.381 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000237841538 376761988 /nfs/dbraw/zinc/76/19/88/376761988.db2.gz SPGSNBHVGXPVPA-GOSISDBHSA-N 0 3 277.371 3.245 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000237841569 376762631 /nfs/dbraw/zinc/76/26/31/376762631.db2.gz SPGSNBHVGXPVPA-SFHVURJKSA-N 0 3 277.371 3.245 20 30 CGEDHN C=C(C)COCCN[C@H]1CCc2c1cc(F)cc2F ZINC000154817485 542120404 /nfs/dbraw/zinc/12/04/04/542120404.db2.gz NJSRVXYAXNSWGI-HNNXBMFYSA-N 0 3 267.319 3.134 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000245685931 376879741 /nfs/dbraw/zinc/87/97/41/376879741.db2.gz ANORJMUSISCSGF-FUHWJXTLSA-N 0 3 287.403 3.252 20 30 CGEDHN COc1ccc(CN2CC[C@H](C)[C@H](C)C2)cc1C#N ZINC000245844710 376917933 /nfs/dbraw/zinc/91/79/33/376917933.db2.gz BXTHUYLGFWMQOY-QWHCGFSZSA-N 0 3 258.365 3.045 20 30 CGEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000557217319 376926745 /nfs/dbraw/zinc/92/67/45/376926745.db2.gz PNIGVVLDIYIGIJ-BPQIPLTHSA-N 0 3 297.402 3.187 20 30 CGEDHN C=CCOc1cccc(CN(C)C[C@H]2CCCC[C@H]2O)c1 ZINC000246027017 376954815 /nfs/dbraw/zinc/95/48/15/376954815.db2.gz VQPYYBRJLAAIEG-SJLPKXTDSA-N 0 3 289.419 3.234 20 30 CGEDHN C[C@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C#N)cc1 ZINC000340448131 377065767 /nfs/dbraw/zinc/06/57/67/377065767.db2.gz GICLMFICXJTPEF-RYUDHWBXSA-N 0 3 267.332 3.071 20 30 CGEDHN COc1cc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)ccn1 ZINC000340492958 377100522 /nfs/dbraw/zinc/10/05/22/377100522.db2.gz XPWYNDYJIXAYTH-QWHCGFSZSA-N 0 3 281.359 3.374 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CC[C@@H](SCC)C1 ZINC000247230170 377180784 /nfs/dbraw/zinc/18/07/84/377180784.db2.gz DCLVGXGKQNKJRM-LSDHHAIUSA-N 0 3 298.496 3.017 20 30 CGEDHN C=CCC[C@H](O)CN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000247636749 377228830 /nfs/dbraw/zinc/22/88/30/377228830.db2.gz VGHOFARZSGAICO-HYVNUMGLSA-N 0 3 291.460 3.492 20 30 CGEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(CC#N)cc1 ZINC000562491933 377316850 /nfs/dbraw/zinc/31/68/50/377316850.db2.gz QPVIWFMJVUOACD-UHFFFAOYSA-N 0 3 296.418 3.405 20 30 CGEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccccc2)s1 ZINC000341322456 377506138 /nfs/dbraw/zinc/50/61/38/377506138.db2.gz NXGYURNGOVFESD-ZDUSSCGKSA-N 0 3 288.416 3.084 20 30 CGEDHN Cc1cc(OCc2ccc(C#N)cc2[N+](=O)[O-])c(C)c(C)n1 ZINC000563418804 377459982 /nfs/dbraw/zinc/45/99/82/377459982.db2.gz YNCXRFLVVFKYQD-UHFFFAOYSA-N 0 3 297.314 3.366 20 30 CGEDHN CCC[C@@H](C)[C@@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000566304732 377495247 /nfs/dbraw/zinc/49/52/47/377495247.db2.gz QJMRAIZDSCOUSA-CZUORRHYSA-N 0 3 279.811 3.078 20 30 CGEDHN CCCN(C)[C@H](CNCCC#N)c1ccc(Cl)cc1 ZINC000567707559 377510379 /nfs/dbraw/zinc/51/03/79/377510379.db2.gz YHGOCPUWZVILRP-OAHLLOKOSA-N 0 3 279.815 3.226 20 30 CGEDHN C=CCCCNCc1conc1Cc1ccccc1 ZINC000572131345 377545737 /nfs/dbraw/zinc/54/57/37/377545737.db2.gz VJTWULUDIKGWCX-UHFFFAOYSA-N 0 3 256.349 3.321 20 30 CGEDHN C=CC[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000265310188 190173838 /nfs/dbraw/zinc/17/38/38/190173838.db2.gz FAPVWQRHJXNWSI-OAHLLOKOSA-N 0 3 286.419 3.367 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000265511287 190187007 /nfs/dbraw/zinc/18/70/07/190187007.db2.gz ZVZCEXHHBYKLCG-UHFFFAOYSA-N 0 3 286.419 3.109 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000341470049 377579694 /nfs/dbraw/zinc/57/96/94/377579694.db2.gz NJXRNQIBKZTYLI-DZGCQCFKSA-N 0 3 293.407 3.072 20 30 CGEDHN N#Cc1ccnc(NCCN2CCC3(CCCCC3)CC2)c1 ZINC000343068101 377893267 /nfs/dbraw/zinc/89/32/67/377893267.db2.gz OCUJUIVSVKMCBG-UHFFFAOYSA-N 0 3 298.434 3.411 20 30 CGEDHN C=CCCN(C)Cc1cc(OC)ccc1OC(F)F ZINC000343435376 377978156 /nfs/dbraw/zinc/97/81/56/377978156.db2.gz BGRGBDBHJNMOOG-UHFFFAOYSA-N 0 3 271.307 3.305 20 30 CGEDHN CC(C)n1cc([C@@H](C)NCCc2cccc(C#N)c2)cn1 ZINC000343588378 378030947 /nfs/dbraw/zinc/03/09/47/378030947.db2.gz DYDUULJUQGAZRJ-CQSZACIVSA-N 0 3 282.391 3.229 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CCOCC3)C2)c(F)c1 ZINC000265994158 190221715 /nfs/dbraw/zinc/22/17/15/190221715.db2.gz GTVJEEVBNLUKDK-UHFFFAOYSA-N 0 3 288.366 3.090 20 30 CGEDHN C=C(CNCc1cnc2cccc(C)n12)c1ccccc1 ZINC000343760570 378084051 /nfs/dbraw/zinc/08/40/51/378084051.db2.gz IVDPLYPWGQYQEG-UHFFFAOYSA-N 0 3 277.371 3.446 20 30 CGEDHN Cc1ccoc1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000345071890 378188636 /nfs/dbraw/zinc/18/86/36/378188636.db2.gz RCPCHCUGJMAGAN-MRXNPFEDSA-N 0 3 296.370 3.319 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000579805868 378196344 /nfs/dbraw/zinc/19/63/44/378196344.db2.gz PJBDRJRZBUJEKX-WCXIOVBPSA-N 0 3 282.387 3.064 20 30 CGEDHN CCS[C@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC000579907668 378205743 /nfs/dbraw/zinc/20/57/43/378205743.db2.gz IXDVARXRBLQWSB-HNNXBMFYSA-N 0 3 275.421 3.061 20 30 CGEDHN N#CC(C(=O)NC1CCCCC1)c1nccc2ccccc21 ZINC000579541144 378170115 /nfs/dbraw/zinc/17/01/15/378170115.db2.gz JDBWCRGIDYUDNI-INIZCTEOSA-N 0 3 293.370 3.291 20 30 CGEDHN CC(C#N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000345343778 378263846 /nfs/dbraw/zinc/26/38/46/378263846.db2.gz QCAHTUUBGYMIIN-LBPRGKRZSA-N 0 3 274.339 3.257 20 30 CGEDHN N#Cc1ccc(N2CCC(NC3(CF)CCC3)CC2)cc1 ZINC000582062002 378282642 /nfs/dbraw/zinc/28/26/42/378282642.db2.gz KDURSSPAGBNSCR-UHFFFAOYSA-N 0 3 287.382 3.009 20 30 CGEDHN CC(C)[C@H]1OCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000269470600 378225959 /nfs/dbraw/zinc/22/59/59/378225959.db2.gz ZZFBQVITWRMYNT-NVXWUHKLSA-N 0 3 290.382 3.238 20 30 CGEDHN C[C@H](C1CC1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000583477711 378325371 /nfs/dbraw/zinc/32/53/71/378325371.db2.gz HTGVZEFDPZGURB-CZUORRHYSA-N 0 3 270.376 3.016 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000345878800 378396406 /nfs/dbraw/zinc/39/64/06/378396406.db2.gz ZXFCIBBSFVLMJX-CYBMUJFWSA-N 0 3 298.386 3.052 20 30 CGEDHN Cc1ncccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618742780 378410856 /nfs/dbraw/zinc/41/08/56/378410856.db2.gz SFRKYGBDKBJSDW-KRWDZBQOSA-N 0 3 263.344 3.039 20 30 CGEDHN C[C@H](C[C@@H](O)c1ccccc1)NCc1ccc(C#N)cc1F ZINC000270672371 378385995 /nfs/dbraw/zinc/38/59/95/378385995.db2.gz QQGUSDRLQCCIPP-FZKQIMNGSA-N 0 3 298.361 3.299 20 30 CGEDHN C=CCCC[C@H](C)N1CC[S@](=O)C(CC)(CC)C1 ZINC000346034993 378445760 /nfs/dbraw/zinc/44/57/60/378445760.db2.gz SLDMJZRXRFKPBH-KSSFIOAISA-N 0 3 271.470 3.354 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CCOCC3)C2)s1 ZINC000271157658 378464687 /nfs/dbraw/zinc/46/46/87/378464687.db2.gz BUXYIMFYKWNGTP-UHFFFAOYSA-N 0 3 276.405 3.012 20 30 CGEDHN CCOC1CC(N[C@H](CCC#N)c2ccccc2)C1 ZINC000271765076 378504133 /nfs/dbraw/zinc/50/41/33/378504133.db2.gz DCNBRCSNXVPPAS-UYSNPLJNSA-N 0 3 258.365 3.189 20 30 CGEDHN CCCC[C@@H](COC)NC1(c2cccc(C#N)c2)CC1 ZINC000272206902 378585403 /nfs/dbraw/zinc/58/54/03/378585403.db2.gz KBHJSVLQXVTQGE-INIZCTEOSA-N 0 3 272.392 3.342 20 30 CGEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)[C@@H]1CCCO1 ZINC000346628036 378651735 /nfs/dbraw/zinc/65/17/35/378651735.db2.gz IQZVEWJTYRBBEQ-IMJJTQAJSA-N 0 3 258.365 3.189 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CCO)c2ccc(Cl)cc2)C1 ZINC000348216633 378844080 /nfs/dbraw/zinc/84/40/80/378844080.db2.gz OZWRNWGGSMIOQF-UGFHNGPFSA-N 0 3 278.783 3.045 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1cc(C#N)cs1 ZINC000348548285 378987870 /nfs/dbraw/zinc/98/78/70/378987870.db2.gz QKSUHQZNSNEUBC-TZMCWYRMSA-N 0 3 278.421 3.135 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H]1Cc1ccccc1 ZINC000347225181 218161430 /nfs/dbraw/zinc/16/14/30/218161430.db2.gz FOJBRWPSSVYYJH-SFHVURJKSA-N 0 3 292.382 3.384 20 30 CGEDHN C[C@H](NC1CC(F)(F)C1)c1ccc(C#N)c(F)c1 ZINC000277110410 379071752 /nfs/dbraw/zinc/07/17/52/379071752.db2.gz MJLCFJGITIEXKW-QMMMGPOBSA-N 0 3 254.255 3.146 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCc3ccccn3)CC2)cc1 ZINC000371336382 379142228 /nfs/dbraw/zinc/14/22/28/379142228.db2.gz QPCQTXPIBCMQEU-UHFFFAOYSA-N 0 3 289.382 3.285 20 30 CGEDHN CC[C@H](NC1CC(F)(F)C1)c1ccc(C#N)cc1 ZINC000278818412 194167343 /nfs/dbraw/zinc/16/73/43/194167343.db2.gz SGWKBZIXVVLKBP-ZDUSSCGKSA-N 0 3 250.292 3.397 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C)c2cnc(C)nc2C)C1 ZINC000639310041 379261485 /nfs/dbraw/zinc/26/14/85/379261485.db2.gz NNYXAPGKKSIEKG-HIFRSBDPSA-N 0 3 259.397 3.443 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000349806415 379392184 /nfs/dbraw/zinc/39/21/84/379392184.db2.gz YXUKGOSWDVOUKX-MFKMUULPSA-N 0 3 268.282 3.487 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OCC(F)(F)F)C1 ZINC000349821098 379402179 /nfs/dbraw/zinc/40/21/79/379402179.db2.gz ISRPBPDUBPWIJY-WCQYABFASA-N 0 3 298.308 3.410 20 30 CGEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349821401 379402539 /nfs/dbraw/zinc/40/25/39/379402539.db2.gz KVROFESWCFIGFZ-HZPDHXFCSA-N 0 3 294.402 3.271 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349851375 379420628 /nfs/dbraw/zinc/42/06/28/379420628.db2.gz GXJSTKVGRVSFNO-HIFRSBDPSA-N 0 3 256.349 3.033 20 30 CGEDHN C=CCC[C@H](NCc1ncnn1-c1ccccc1)C1CC1 ZINC000279633366 379475870 /nfs/dbraw/zinc/47/58/70/379475870.db2.gz ZKKSUFUYBQQQLR-INIZCTEOSA-N 0 3 282.391 3.102 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1cccc2c1CCOC2 ZINC000639616545 379508513 /nfs/dbraw/zinc/50/85/13/379508513.db2.gz JALCTFJYVNVGIK-MRXNPFEDSA-N 0 3 257.377 3.300 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@@H]1C ZINC000639643482 379521526 /nfs/dbraw/zinc/52/15/26/379521526.db2.gz JWFXXSLRDDBHND-NVXWUHKLSA-N 0 3 291.439 3.267 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2Cc2ccccc2)s1 ZINC000267152833 190307144 /nfs/dbraw/zinc/30/71/44/190307144.db2.gz CSOPPOFPCXIISF-CZUORRHYSA-N 0 3 268.385 3.341 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)s1 ZINC000377836196 379748301 /nfs/dbraw/zinc/74/83/01/379748301.db2.gz ZPHYWYFJVBUQGJ-UONOGXRCSA-N 0 3 290.432 3.258 20 30 CGEDHN COC[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267378588 190325758 /nfs/dbraw/zinc/32/57/58/190325758.db2.gz LWMIDBJDTYWICI-CQSZACIVSA-N 0 3 297.320 3.025 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCC(F)(F)C2)o1 ZINC000282164045 379865600 /nfs/dbraw/zinc/86/56/00/379865600.db2.gz XYOHLKZEVUQCJU-JTQLQIEISA-N 0 3 254.280 3.066 20 30 CGEDHN CC(C)CC(C)(C)CNCc1nc(C#N)cs1 ZINC000352831361 379989263 /nfs/dbraw/zinc/98/92/63/379989263.db2.gz GOIAAVQQDZYBHR-UHFFFAOYSA-N 0 3 251.399 3.177 20 30 CGEDHN C[C@@H]1CCC[C@@H](CNCc2nc(C#N)cs2)[C@@H]1C ZINC000352945744 380051797 /nfs/dbraw/zinc/05/17/97/380051797.db2.gz POZYXIRWBPEGPO-UTUOFQBUSA-N 0 3 263.410 3.177 20 30 CGEDHN C=CCOc1ccc(CNCc2cccc3c[nH]nc32)cc1 ZINC000352922854 380040060 /nfs/dbraw/zinc/04/00/60/380040060.db2.gz STXYGCCJSNEICD-UHFFFAOYSA-N 0 3 293.370 3.418 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc2nccn21 ZINC000352929872 380045157 /nfs/dbraw/zinc/04/51/57/380045157.db2.gz IOPLDZWULZEJMR-UHFFFAOYSA-N 0 3 281.359 3.158 20 30 CGEDHN COc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1F ZINC000411447888 380146505 /nfs/dbraw/zinc/14/65/05/380146505.db2.gz BSBVVALBHZPGPH-GHMZBOCLSA-N 0 3 250.317 3.177 20 30 CGEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ncc(C#N)cc1F ZINC000413237666 380175644 /nfs/dbraw/zinc/17/56/44/380175644.db2.gz XRBJDGGRRYXDLX-CYBMUJFWSA-N 0 3 298.365 3.025 20 30 CGEDHN CO[C@@]1(C)C[C@H](N(C)Cc2cccc(C#N)c2)C1(C)C ZINC000353936141 380244639 /nfs/dbraw/zinc/24/46/39/380244639.db2.gz YKBOPZSDWBOOHA-RDJZCZTQSA-N 0 3 272.392 3.194 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H]1CCn2ccnc21 ZINC000414304794 380211236 /nfs/dbraw/zinc/21/12/36/380211236.db2.gz RAIIEYHHQKOYLD-HOTGVXAUSA-N 0 3 267.376 3.105 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H]1CCn2ccnc21 ZINC000414304793 380211543 /nfs/dbraw/zinc/21/15/43/380211543.db2.gz RAIIEYHHQKOYLD-CVEARBPZSA-N 0 3 267.376 3.105 20 30 CGEDHN C=C[C@@H](CO)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000353580706 380212506 /nfs/dbraw/zinc/21/25/06/380212506.db2.gz XHAFLEJTFNOIDD-QPUJVOFHSA-N 0 3 272.175 3.117 20 30 CGEDHN CCC#C[C@@H](C)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000643391194 380303738 /nfs/dbraw/zinc/30/37/38/380303738.db2.gz WWWIFSLLLOSOHG-IEBWSBKVSA-N 0 3 285.431 3.106 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cc(C(=O)OC)co1 ZINC000414538045 380306820 /nfs/dbraw/zinc/30/68/20/380306820.db2.gz PYARHBHEJXVFTR-MRXNPFEDSA-N 0 3 299.370 3.343 20 30 CGEDHN CC[C@@H](CC(F)(F)F)NCc1cc(C#N)cs1 ZINC000354660194 380517904 /nfs/dbraw/zinc/51/79/04/380517904.db2.gz UDROMOCGLGNFJU-VIFPVBQESA-N 0 3 262.300 3.440 20 30 CGEDHN CCN(CCC1CC1)Cc1cc(C#N)ccc1OC ZINC000355062597 380571089 /nfs/dbraw/zinc/57/10/89/380571089.db2.gz QIBYUZOOUVOYMS-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCC(C)(C)C1 ZINC000355589531 380720301 /nfs/dbraw/zinc/72/03/01/380720301.db2.gz ZCVGCBSHDZZDRD-AWEZNQCLSA-N 0 3 282.391 3.216 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356092844 380790721 /nfs/dbraw/zinc/79/07/21/380790721.db2.gz IJDGVBIBDOODSS-SECBINFHSA-N 0 3 254.255 3.241 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419296325 380796065 /nfs/dbraw/zinc/79/60/65/380796065.db2.gz DSVDPGUFHOAGSU-OAHLLOKOSA-N 0 3 281.346 3.174 20 30 CGEDHN C=CCCCNCc1csc(-c2ccccn2)n1 ZINC000279195637 194327182 /nfs/dbraw/zinc/32/71/82/194327182.db2.gz UIXWTDBHFCOYBA-UHFFFAOYSA-N 0 3 259.378 3.261 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cc1F ZINC000421382302 380925605 /nfs/dbraw/zinc/92/56/05/380925605.db2.gz MNMIYFCTZSNDST-DOTOQJQBSA-N 0 3 270.351 3.318 20 30 CGEDHN N#Cc1ncccc1NC[C@H]1CCCN1Cc1ccccc1 ZINC000357519424 381190824 /nfs/dbraw/zinc/19/08/24/381190824.db2.gz XOYLLSNIYOBHDB-MRXNPFEDSA-N 0 3 292.386 3.030 20 30 CGEDHN C[C@@H](Nc1cc(C#N)ccn1)[C@@H](c1ccccc1)N(C)C ZINC000357682695 381248259 /nfs/dbraw/zinc/24/82/59/381248259.db2.gz GANHFVIPXPNWLD-DYVFJYSZSA-N 0 3 280.375 3.057 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000358319218 381303499 /nfs/dbraw/zinc/30/34/99/381303499.db2.gz NVGKAVWAFJLCAG-UONOGXRCSA-N 0 3 285.391 3.224 20 30 CGEDHN C=CCCOCCN[C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000358367212 381305158 /nfs/dbraw/zinc/30/51/58/381305158.db2.gz KQEZWMZKOXWAAX-LRDDRELGSA-N 0 3 263.356 3.241 20 30 CGEDHN N#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000360053663 381427484 /nfs/dbraw/zinc/42/74/84/381427484.db2.gz DOFCLOIFVSQBPJ-RHSMWYFYSA-N 0 3 298.411 3.487 20 30 CGEDHN C=C(CNC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000360211564 381481256 /nfs/dbraw/zinc/48/12/56/381481256.db2.gz FHZKMBJDZGOVHF-INIZCTEOSA-N 0 3 286.419 3.081 20 30 CGEDHN CC(C)(C)CN(CCC#N)CCCC1CCOCC1 ZINC000361467663 381758426 /nfs/dbraw/zinc/75/84/26/381758426.db2.gz XVHDXJNIOBVJQF-UHFFFAOYSA-N 0 3 266.429 3.455 20 30 CGEDHN N#CCCCCN1CCS[C@H](c2ccccc2)C1 ZINC000361479585 381764346 /nfs/dbraw/zinc/76/43/46/381764346.db2.gz SUWQAUJALICAEQ-HNNXBMFYSA-N 0 3 260.406 3.470 20 30 CGEDHN N#Cc1ccc(F)c(CN(CC2CC2)C2CCC2)c1 ZINC000361581120 381818502 /nfs/dbraw/zinc/81/85/02/381818502.db2.gz FRJQJGBLVDTAPY-UHFFFAOYSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCN(CCOC)Cc1cccc(SCC)c1 ZINC000361637654 381849075 /nfs/dbraw/zinc/84/90/75/381849075.db2.gz KWWHBALPVGYMDS-UHFFFAOYSA-N 0 3 265.422 3.433 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)CC#Cc2ccccc2)C12CCC2 ZINC000361824890 381871121 /nfs/dbraw/zinc/87/11/21/381871121.db2.gz HDFWHOOFZKPXGI-ROUUACIJSA-N 0 3 283.415 3.318 20 30 CGEDHN CCSCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362424251 381985886 /nfs/dbraw/zinc/98/58/86/381985886.db2.gz HDFAHFCXEHOWDK-UHFFFAOYSA-N 0 3 272.417 3.400 20 30 CGEDHN C=CCN1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000363210667 382193667 /nfs/dbraw/zinc/19/36/67/382193667.db2.gz PRSZZKXBFNZKTF-HUUCEWRRSA-N 0 3 294.439 3.284 20 30 CGEDHN C[C@H](NCCc1ccccc1O)c1ccc(C#N)c(F)c1 ZINC000539606454 288622284 /nfs/dbraw/zinc/62/22/84/288622284.db2.gz IEDUTDHFOBVYEW-LBPRGKRZSA-N 0 3 284.334 3.296 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)C(C)C(F)(F)F ZINC000335332530 208209959 /nfs/dbraw/zinc/20/99/59/208209959.db2.gz DMEUWKNYJCPYSA-QMMMGPOBSA-N 0 3 256.227 3.004 20 30 CGEDHN CCCN(Cc1ccc(C#N)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000353748549 220302411 /nfs/dbraw/zinc/30/24/11/220302411.db2.gz QQZKMCXMMGQVST-OAGGEKHMSA-N 0 3 288.391 3.177 20 30 CGEDHN C#CCSCCN[C@@H]1CCSc2ccc(OC)cc21 ZINC000191533022 533202115 /nfs/dbraw/zinc/20/21/15/533202115.db2.gz UYEMWSISRDURFG-CQSZACIVSA-N 0 3 293.457 3.188 20 30 CGEDHN CSCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358568504 533572654 /nfs/dbraw/zinc/57/26/54/533572654.db2.gz LHDZQGOTZBVSGW-SNVBAGLBSA-N 0 3 252.358 3.101 20 30 CGEDHN C=CCCNCc1c(F)cccc1Br ZINC000394933994 542614979 /nfs/dbraw/zinc/61/49/79/542614979.db2.gz QHIMRFDGSNLNAV-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ncc[nH]1 ZINC000414302058 542636156 /nfs/dbraw/zinc/63/61/56/542636156.db2.gz MLCQPCXZIHJRRL-HIFRSBDPSA-N 0 3 255.365 3.248 20 30 CGEDHN C#CCOc1ccccc1CNCCc1ccc(F)cc1 ZINC000021042970 391941697 /nfs/dbraw/zinc/94/16/97/391941697.db2.gz PISKUFWEDHEPGI-UHFFFAOYSA-N 0 3 283.346 3.170 20 30 CGEDHN C[C@H](Cc1ccsc1)NCc1ccc(C#N)cc1F ZINC000049182449 392037762 /nfs/dbraw/zinc/03/77/62/392037762.db2.gz MYOGGNSLXRSGLO-LLVKDONJSA-N 0 3 274.364 3.480 20 30 CGEDHN C[C@@H](NCCCCC#N)c1nc2c(s1)CCCC2 ZINC000093405019 392236996 /nfs/dbraw/zinc/23/69/96/392236996.db2.gz DQWFRURHECCYIQ-LLVKDONJSA-N 0 3 263.410 3.366 20 30 CGEDHN CN(CCc1ccccc1O)Cc1ccc(C#N)c(F)c1 ZINC000361746704 392310871 /nfs/dbraw/zinc/31/08/71/392310871.db2.gz ALQZAROVQUBUJZ-UHFFFAOYSA-N 0 3 284.334 3.077 20 30 CGEDHN C=C(Cl)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285822736 392335734 /nfs/dbraw/zinc/33/57/34/392335734.db2.gz GUOAMRRODQWRFP-BZUAXINKSA-N 0 3 277.795 3.243 20 30 CGEDHN CCCO[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000108391570 392342134 /nfs/dbraw/zinc/34/21/34/392342134.db2.gz KARIEORTJCLVEZ-KRWDZBQOSA-N 0 3 272.392 3.339 20 30 CGEDHN C#C[C@@H](C)N[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000289621468 392425969 /nfs/dbraw/zinc/42/59/69/392425969.db2.gz WJPRGMOQLWUSLW-ZIAGYGMSSA-N 0 3 272.392 3.138 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000289892899 392435972 /nfs/dbraw/zinc/43/59/72/392435972.db2.gz SQPQKUACFCWNGF-MAUKXSAKSA-N 0 3 297.398 3.463 20 30 CGEDHN C=CCCCN(C)CC(=O)N(C(C)C)C1CCCC1 ZINC000121137260 392409259 /nfs/dbraw/zinc/40/92/59/392409259.db2.gz QRRUSNTXHJHEML-UHFFFAOYSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CCCSC1 ZINC000135697382 392476653 /nfs/dbraw/zinc/47/66/53/392476653.db2.gz CJHYWVSNRWAYRK-CQSZACIVSA-N 0 3 263.406 3.237 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1CCCC(C)(C)C1 ZINC000158128378 392556241 /nfs/dbraw/zinc/55/62/41/392556241.db2.gz JDGIRJKUDLKGGP-UHFFFAOYSA-N 0 3 288.391 3.068 20 30 CGEDHN Cc1ccc(N(C)[C@@H]2CCCN(CCCC#N)C2)cc1 ZINC000372352093 392601642 /nfs/dbraw/zinc/60/16/42/392601642.db2.gz XAONKLWGGHXMMA-QGZVFWFLSA-N 0 3 271.408 3.199 20 30 CGEDHN CSCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415500 392608822 /nfs/dbraw/zinc/60/88/22/392608822.db2.gz HHIPJHIVHPZFQJ-UHFFFAOYSA-N 0 3 272.417 3.400 20 30 CGEDHN CCCN1CCC[C@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC000329494443 392684001 /nfs/dbraw/zinc/68/40/01/392684001.db2.gz ILQVTBLNECXYFF-AWEZNQCLSA-N 0 3 272.352 3.025 20 30 CGEDHN CCCN1CCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000329494443 392684007 /nfs/dbraw/zinc/68/40/07/392684007.db2.gz ILQVTBLNECXYFF-AWEZNQCLSA-N 0 3 272.352 3.025 20 30 CGEDHN Cc1ccc(N[C@@H](C)CN(C)Cc2ccccc2)nc1C#N ZINC000302739035 392619995 /nfs/dbraw/zinc/61/99/95/392619995.db2.gz BYJDPGKRDBEHEM-HNNXBMFYSA-N 0 3 294.402 3.194 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000302752464 392620113 /nfs/dbraw/zinc/62/01/13/392620113.db2.gz YLVUSQZIVUYQBJ-CQSZACIVSA-N 0 3 292.398 3.071 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(CC(F)(F)F)CC2)C1 ZINC000334179420 392708179 /nfs/dbraw/zinc/70/81/79/392708179.db2.gz DQWGYIOQTQDEGW-NEPJUHHUSA-N 0 3 260.303 3.343 20 30 CGEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000334313564 392719594 /nfs/dbraw/zinc/71/95/94/392719594.db2.gz NRBGHQQUXGAXLA-DZGCQCFKSA-N 0 3 256.349 3.290 20 30 CGEDHN Cc1cncc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000335721633 392810460 /nfs/dbraw/zinc/81/04/60/392810460.db2.gz CMLLPMJAGNQGHH-KRWDZBQOSA-N 0 3 263.344 3.039 20 30 CGEDHN Cc1n[nH]c(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000335737442 392812456 /nfs/dbraw/zinc/81/24/56/392812456.db2.gz FEINLPSFUPTCEB-QGZVFWFLSA-N 0 3 280.375 3.065 20 30 CGEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000336615515 392865956 /nfs/dbraw/zinc/86/59/56/392865956.db2.gz YLWCWKLHKCZZAR-SJCJKPOMSA-N 0 3 280.375 3.020 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000521217590 392927675 /nfs/dbraw/zinc/92/76/75/392927675.db2.gz BOUKFGWERDZOLQ-SJORKVTESA-N 0 3 267.376 3.207 20 30 CGEDHN CC(C)CCOC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338914400 392935415 /nfs/dbraw/zinc/93/54/15/392935415.db2.gz YBHATCYWPCLGTQ-HUUCEWRRSA-N 0 3 264.413 3.206 20 30 CGEDHN CC(C)CCOC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338914399 392936367 /nfs/dbraw/zinc/93/63/67/392936367.db2.gz YBHATCYWPCLGTQ-GJZGRUSLSA-N 0 3 264.413 3.206 20 30 CGEDHN C=CCOCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000339052186 392943875 /nfs/dbraw/zinc/94/38/75/392943875.db2.gz MHRRIVVVLMBVNT-UHFFFAOYSA-N 0 3 295.810 3.386 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1F ZINC000339064357 392945977 /nfs/dbraw/zinc/94/59/77/392945977.db2.gz XDTJHWPDIOLVPE-GVXVVHGQSA-N 0 3 262.328 3.177 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000411686241 392983381 /nfs/dbraw/zinc/98/33/81/392983381.db2.gz XCRQULHVXQFATP-XJKSGUPXSA-N 0 3 260.356 3.481 20 30 CGEDHN N#CC1(CCN[C@@H]2Cc3cccc(O)c3C2)CCCCC1 ZINC000411635062 392984689 /nfs/dbraw/zinc/98/46/89/392984689.db2.gz VXKLJIKUSIBPEN-OAHLLOKOSA-N 0 3 284.403 3.313 20 30 CGEDHN C[C@@H](CCC#N)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000411677765 392984755 /nfs/dbraw/zinc/98/47/55/392984755.db2.gz RYBACEPDOCFRPL-IVSAIRAKSA-N 0 3 276.424 3.348 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000411688036 392984912 /nfs/dbraw/zinc/98/49/12/392984912.db2.gz HPQOXFNUZZUBON-LSDHHAIUSA-N 0 3 286.423 3.091 20 30 CGEDHN N#CC1(CCN2CC[C@H](COC(F)F)C2)CCCCC1 ZINC000411726074 392985890 /nfs/dbraw/zinc/98/58/90/392985890.db2.gz JDIYCKJHKZYDOX-ZDUSSCGKSA-N 0 3 286.366 3.412 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2ccc(C)cc2c1 ZINC000411789506 392988785 /nfs/dbraw/zinc/98/87/85/392988785.db2.gz NLPRTZBLZYRUHM-MSOLQXFVSA-N 0 3 282.387 3.366 20 30 CGEDHN C=CCN[C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412016368 392993020 /nfs/dbraw/zinc/99/30/20/392993020.db2.gz WMSZMNXBZXBCMQ-INIZCTEOSA-N 0 3 259.393 3.446 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]3CCC[C@@H]32)c1F ZINC000219523494 393002270 /nfs/dbraw/zinc/00/22/70/393002270.db2.gz LZQBHISUYIIFNC-DOMZBBRYSA-N 0 3 258.340 3.462 20 30 CGEDHN N#CC(C(=O)c1ccc(-c2cnco2)cc1)c1ccccn1 ZINC000342846432 393011447 /nfs/dbraw/zinc/01/14/47/393011447.db2.gz MYHZLQSALHWETE-CQSZACIVSA-N 0 3 289.294 3.227 20 30 CGEDHN CC[C@@H](C)N[C@H](CNc1nc(C)ccc1C#N)c1ccco1 ZINC000343252190 393022694 /nfs/dbraw/zinc/02/26/94/393022694.db2.gz QAIIPLQLINRGGH-IUODEOHRSA-N 0 3 298.390 3.396 20 30 CGEDHN C=CCOCCNCc1cc2ccccc2c(OC)c1 ZINC000648509794 393072021 /nfs/dbraw/zinc/07/20/21/393072021.db2.gz AZPXOHQSIFUEEQ-UHFFFAOYSA-N 0 3 271.360 3.141 20 30 CGEDHN C=C(CNCc1ccnn1CC(C)C)c1ccccc1 ZINC000647176433 393371320 /nfs/dbraw/zinc/37/13/20/393371320.db2.gz HQNVBOTYEOSRDT-UHFFFAOYSA-N 0 3 269.392 3.342 20 30 CGEDHN CCCCN(CC)Cc1cn2ccccc2c1C#N ZINC000356456559 393450638 /nfs/dbraw/zinc/45/06/38/393450638.db2.gz GBAAJIBJONPJEO-UHFFFAOYSA-N 0 3 255.365 3.433 20 30 CGEDHN Cc1ccc(CN(CCO)Cc2ccc(C#N)c(C)c2)cc1 ZINC000488317805 393485924 /nfs/dbraw/zinc/48/59/24/393485924.db2.gz UEDDPYUWFYCTHY-UHFFFAOYSA-N 0 3 294.398 3.170 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000359533378 393550413 /nfs/dbraw/zinc/55/04/13/393550413.db2.gz AFCSEOLWRUYEAR-RRFJBIMHSA-N 0 3 292.423 3.427 20 30 CGEDHN C=C(CC)CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709614 393552396 /nfs/dbraw/zinc/55/23/96/393552396.db2.gz UABIYSGSYMHMLQ-UHFFFAOYSA-N 0 3 251.267 3.319 20 30 CGEDHN CO[C@@](C)(CN[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000361007940 393638960 /nfs/dbraw/zinc/63/89/60/393638960.db2.gz CEKLTWPDCPSTST-ZBEGNZNMSA-N 0 3 276.355 3.163 20 30 CGEDHN Cc1cc(CNCCOc2cccc(F)c2)ccc1C#N ZINC000443961072 393778580 /nfs/dbraw/zinc/77/85/80/393778580.db2.gz FCQBKKAHCDMUDK-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN Cc1cc(CNCc2ccccc2C)ccc1C#N ZINC000443972003 393779632 /nfs/dbraw/zinc/77/96/32/393779632.db2.gz LTFZVLKISZZOJO-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN C=CCC1(C(=O)N(C)CC2CCN(C)CC2)CCCCC1 ZINC000448911071 393873120 /nfs/dbraw/zinc/87/31/20/393873120.db2.gz LSCIIODTWKLKRM-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1OC ZINC000501212159 393848481 /nfs/dbraw/zinc/84/84/81/393848481.db2.gz VJWYIGYWOIOQKG-SWLSCSKDSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](CO)c2ccc(F)cc2F)C1 ZINC000668754413 543056228 /nfs/dbraw/zinc/05/62/28/543056228.db2.gz MTRRRMTYUBWFPK-FFSVYQOJSA-N 0 3 281.346 3.333 20 30 CGEDHN OCC[C@@H]1CCCCCN1CC#Cc1cccc(Cl)c1 ZINC000671248336 543164898 /nfs/dbraw/zinc/16/48/98/543164898.db2.gz RCBCMZCJZIPKMT-KRWDZBQOSA-N 0 3 291.822 3.319 20 30 CGEDHN OCC[C@H]1CCCCCN1CC#Cc1ccc(Cl)cc1 ZINC000671248306 543165230 /nfs/dbraw/zinc/16/52/30/543165230.db2.gz PTTMWGDYXSXYFE-QGZVFWFLSA-N 0 3 291.822 3.319 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCN(CC2CC2)C1)c1ccco1 ZINC000671746816 543185191 /nfs/dbraw/zinc/18/51/91/543185191.db2.gz MDXURZIMMPHIJU-JKSUJKDBSA-N 0 3 274.408 3.361 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000580196747 397713609 /nfs/dbraw/zinc/71/36/09/397713609.db2.gz ATXUCDWSHAKDJB-UHFFFAOYSA-N 0 3 273.336 3.231 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000677047381 543427565 /nfs/dbraw/zinc/42/75/65/543427565.db2.gz XYMGVBDAUHUDJZ-ZDUSSCGKSA-N 0 3 273.298 3.074 20 30 CGEDHN CCCN(CC#CCOC)[C@@H]1CCc2ccccc21 ZINC000677818362 543467060 /nfs/dbraw/zinc/46/70/60/543467060.db2.gz JWNVBVRVQQSWJL-QGZVFWFLSA-N 0 3 257.377 3.036 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000678745329 543553097 /nfs/dbraw/zinc/55/30/97/543553097.db2.gz QCLIIIROXHPNII-XJKSGUPXSA-N 0 3 263.381 3.061 20 30 CGEDHN CCC(CC)[C@@H](NCC#CCOC)c1cccs1 ZINC000678756722 543553294 /nfs/dbraw/zinc/55/32/94/543553294.db2.gz PFRJZNZGQALUOU-OAHLLOKOSA-N 0 3 265.422 3.465 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1ccc(Cl)cc1 ZINC000678734264 543551430 /nfs/dbraw/zinc/55/14/30/543551430.db2.gz CRUKQSPJCQEOGW-ZIAGYGMSSA-N 0 3 253.773 3.318 20 30 CGEDHN COCC#CCN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000678791418 543559080 /nfs/dbraw/zinc/55/90/80/543559080.db2.gz WVAZLEIMCKAWNJ-HNNXBMFYSA-N 0 3 280.371 3.049 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1ccc(C#N)cc1F ZINC000091099358 165258160 /nfs/dbraw/zinc/25/81/60/165258160.db2.gz PVIZHGMODOQJNB-ZDUSSCGKSA-N 0 3 266.385 3.271 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000035256316 172086148 /nfs/dbraw/zinc/08/61/48/172086148.db2.gz GVNOGIAOJYLDEU-CYBMUJFWSA-N 0 3 261.328 3.281 20 30 CGEDHN CO[C@@H](CNCc1cccc(C#N)c1)c1ccccc1 ZINC000127302408 287285033 /nfs/dbraw/zinc/28/50/33/287285033.db2.gz HXUINHWPMWGKRP-KRWDZBQOSA-N 0 3 266.344 3.036 20 30 CGEDHN C=CCOCCNCc1cnc(-c2ccc(C)cc2)s1 ZINC000679486204 543640669 /nfs/dbraw/zinc/64/06/69/543640669.db2.gz DSVMPOGWUCROOV-UHFFFAOYSA-N 0 3 288.416 3.411 20 30 CGEDHN COCC#CCN[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000680401830 543708731 /nfs/dbraw/zinc/70/87/31/543708731.db2.gz HURFLNPXDPCELH-CHWSQXEVSA-N 0 3 299.336 3.437 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](C(C)(C)C)C1 ZINC000131346258 287376776 /nfs/dbraw/zinc/37/67/76/287376776.db2.gz NJJVFDUJFIBQCS-HNNXBMFYSA-N 0 3 272.392 3.435 20 30 CGEDHN CC(C#N)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000347076596 226016935 /nfs/dbraw/zinc/01/69/35/226016935.db2.gz UDIQTIWMNTZEMP-CQSZACIVSA-N 0 3 294.354 3.041 20 30 CGEDHN Cc1ccccc1[C@H](CC(C)C)NC(=O)C(C)C#N ZINC000347108026 226054113 /nfs/dbraw/zinc/05/41/13/226054113.db2.gz NSATYGFZZLEQOU-ZFWWWQNUSA-N 0 3 258.365 3.358 20 30 CGEDHN CC[C@@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000683041450 543892000 /nfs/dbraw/zinc/89/20/00/543892000.db2.gz KYYRUYSPVUIXCT-OAHLLOKOSA-N 0 3 297.320 3.216 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000171695523 335074897 /nfs/dbraw/zinc/07/48/97/335074897.db2.gz TVTWGUKCTHGMSE-OAHLLOKOSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000659023304 418958113 /nfs/dbraw/zinc/95/81/13/418958113.db2.gz GNNXYUCCKSIRIG-AWEZNQCLSA-N 0 3 287.407 3.274 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@H]2C2CCCCC2)nn1 ZINC000653498933 419038384 /nfs/dbraw/zinc/03/83/84/419038384.db2.gz SVVNTEMKRQOFKJ-KRWDZBQOSA-N 0 3 288.439 3.399 20 30 CGEDHN C=CCN(CC=C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000659839870 419005408 /nfs/dbraw/zinc/00/54/08/419005408.db2.gz ZEYLXCAPLVDILO-HNNXBMFYSA-N 0 3 288.416 3.164 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661396600 419256832 /nfs/dbraw/zinc/25/68/32/419256832.db2.gz BHSXDGCFDHIYJW-OAHLLOKOSA-N 0 3 295.471 3.247 20 30 CGEDHN C=CCOCCN[C@@H](c1ccccc1F)C(C)C ZINC000661485953 419264400 /nfs/dbraw/zinc/26/44/00/419264400.db2.gz RLTJVHQOCHUGNU-OAHLLOKOSA-N 0 3 251.345 3.315 20 30 CGEDHN CC[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000657387436 419267099 /nfs/dbraw/zinc/26/70/99/419267099.db2.gz PQBOLCFBOXUWRG-GJZGRUSLSA-N 0 3 297.320 3.214 20 30 CGEDHN CC[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000657387435 419267247 /nfs/dbraw/zinc/26/72/47/419267247.db2.gz PQBOLCFBOXUWRG-CABCVRRESA-N 0 3 297.320 3.214 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)[C@H]2CC2(F)F)cc1 ZINC000666445630 419217823 /nfs/dbraw/zinc/21/78/23/419217823.db2.gz VWPZLBUOPGUJBT-BXUZGUMPSA-N 0 3 267.319 3.385 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(C(C)(C)C)nn1 ZINC000657529273 419299609 /nfs/dbraw/zinc/29/96/09/419299609.db2.gz AWADZFYSOMVBAQ-ZFWWWQNUSA-N 0 3 276.428 3.258 20 30 CGEDHN FC(F)(F)Oc1ccc(C#CCN2CC[C@H]3C[C@H]3C2)cc1 ZINC000661967129 419317118 /nfs/dbraw/zinc/31/71/18/419317118.db2.gz BQKRCGAVAKYOIK-KBPBESRZSA-N 0 3 295.304 3.279 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cc(F)cc(Br)c2)C1 ZINC000336170427 228202933 /nfs/dbraw/zinc/20/29/33/228202933.db2.gz AGILKTJWHZJSSS-ZANVPECISA-N 0 3 297.171 3.370 20 30 CGEDHN C=CCOCCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000658209572 419662221 /nfs/dbraw/zinc/66/22/21/419662221.db2.gz HFBAZVBRRXRWNU-HNNXBMFYSA-N 0 3 279.355 3.222 20 30 CGEDHN C=CCN(CCc1ccco1)[C@H](C)c1ccncc1 ZINC000663693814 419682591 /nfs/dbraw/zinc/68/25/91/419682591.db2.gz XBTFHPANMXHUGP-CQSZACIVSA-N 0 3 256.349 3.466 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@@H](Oc2ccccc2)C1 ZINC000363467309 260263546 /nfs/dbraw/zinc/26/35/46/260263546.db2.gz ISMUCHYWVVGGFF-OAHLLOKOSA-N 0 3 258.365 3.080 20 30 CGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000153757143 261082895 /nfs/dbraw/zinc/08/28/95/261082895.db2.gz VAQWZJXWUQMGHH-UHFFFAOYSA-N 0 3 280.375 3.058 20 30 CGEDHN CCN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCOC1 ZINC000361595752 261354845 /nfs/dbraw/zinc/35/48/45/261354845.db2.gz OXALKZXIEITWHJ-OAHLLOKOSA-N 0 3 272.392 3.099 20 30 CGEDHN C[C@H](NCCCC#N)c1ccc(OC(F)F)cc1 ZINC000179615103 261802826 /nfs/dbraw/zinc/80/28/26/261802826.db2.gz AQPIIDKZYAHTGC-JTQLQIEISA-N 0 3 254.280 3.242 20 30 CGEDHN C[C@H](c1ccsc1)N1CCN(CCCCC#N)CC1 ZINC000185443127 262054127 /nfs/dbraw/zinc/05/41/27/262054127.db2.gz XVALURHJCJZOBC-CQSZACIVSA-N 0 3 277.437 3.121 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(-n3cccn3)cc2)C1 ZINC000185779855 262070786 /nfs/dbraw/zinc/07/07/86/262070786.db2.gz KPYUOZYNGGAEQL-HZPDHXFCSA-N 0 3 280.375 3.044 20 30 CGEDHN CC(C)=CCNCc1ccc(N(C)CCC#N)cc1 ZINC000191629924 262194027 /nfs/dbraw/zinc/19/40/27/262194027.db2.gz VMXHXWQPVZLWFD-UHFFFAOYSA-N 0 3 257.381 3.092 20 30 CGEDHN CCSc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccn1 ZINC000193316109 262220644 /nfs/dbraw/zinc/22/06/44/262220644.db2.gz OPBVRIXOVUHYMG-GXTWGEPZSA-N 0 3 275.421 3.366 20 30 CGEDHN C=CCCOCCNCc1ccc(N2CCCCC2)cc1 ZINC000120865572 262239008 /nfs/dbraw/zinc/23/90/08/262239008.db2.gz HGJHCPZBFKDIMU-UHFFFAOYSA-N 0 3 288.435 3.359 20 30 CGEDHN N#Cc1csc(CNC[C@@H]2CCCC2(F)F)c1 ZINC000390682161 262240533 /nfs/dbraw/zinc/24/05/33/262240533.db2.gz WETBAFRWTUQBDT-JTQLQIEISA-N 0 3 256.321 3.145 20 30 CGEDHN C=CC1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000111257210 262257951 /nfs/dbraw/zinc/25/79/51/262257951.db2.gz NNGINPSWVFYYAY-IAGOWNOFSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000111257244 262258045 /nfs/dbraw/zinc/25/80/45/262258045.db2.gz AMXZJQUJCWPGSQ-HUUCEWRRSA-N 0 3 286.419 3.150 20 30 CGEDHN C=CC1CCN([C@@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000111258542 262258760 /nfs/dbraw/zinc/25/87/60/262258760.db2.gz QONZXMYESDYPGY-NSHDSACASA-N 0 3 263.337 3.025 20 30 CGEDHN CC(C#N)C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000335084135 262364283 /nfs/dbraw/zinc/36/42/83/262364283.db2.gz NFTAFADDSTVKMP-GXTWGEPZSA-N 0 3 256.349 3.146 20 30 CGEDHN CC[C@@]1(C)COCCN1CCCCC(C)(C)C#N ZINC000336783534 262394890 /nfs/dbraw/zinc/39/48/90/262394890.db2.gz ANECEQUYDGBNHV-HNNXBMFYSA-N 0 3 252.402 3.207 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1-n1cccn1 ZINC000339070253 262592992 /nfs/dbraw/zinc/59/29/92/262592992.db2.gz ZUGXUBZZANYVPD-ZNMIVQPWSA-N 0 3 280.375 3.215 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc([S@@](C)=O)cc1 ZINC000414164823 262819619 /nfs/dbraw/zinc/81/96/19/262819619.db2.gz KSPRULAFXGBRIA-HXPMCKFVSA-N 0 3 278.421 3.014 20 30 CGEDHN Cc1cc(C)c2c(c1)[C@H](NCCCC#N)CCCO2 ZINC000273314755 263015275 /nfs/dbraw/zinc/01/52/75/263015275.db2.gz XQEAAGNCCAGDOP-OAHLLOKOSA-N 0 3 258.365 3.411 20 30 CGEDHN Cc1csc(C2(NCCCSCC#N)CCC2)n1 ZINC000274009761 263020829 /nfs/dbraw/zinc/02/08/29/263020829.db2.gz LRKRJDBECVDRFS-UHFFFAOYSA-N 0 3 281.450 3.067 20 30 CGEDHN C[C@H](CCC#N)N(C)Cc1ccc(OC(F)F)cc1 ZINC000276274685 263035828 /nfs/dbraw/zinc/03/58/28/263035828.db2.gz DNQICMFWMVXGRU-LLVKDONJSA-N 0 3 268.307 3.412 20 30 CGEDHN CCCN(CC(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279754775 263057146 /nfs/dbraw/zinc/05/71/46/263057146.db2.gz QSMHOKZGBYBTNG-QGZVFWFLSA-N 0 3 297.402 3.135 20 30 CGEDHN CC(C)C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280128333 263059230 /nfs/dbraw/zinc/05/92/30/263059230.db2.gz VAGCKCDFXCOGQL-MRXNPFEDSA-N 0 3 297.402 3.039 20 30 CGEDHN C=C(C)CN[C@H](C)c1ccc(Br)cn1 ZINC000280191477 263059570 /nfs/dbraw/zinc/05/95/70/263059570.db2.gz SFVYNHFKNMRROB-SECBINFHSA-N 0 3 255.159 3.071 20 30 CGEDHN C[C@H](c1ccncc1)N(C)CCCC1(C#N)CCOCC1 ZINC000281151138 263066674 /nfs/dbraw/zinc/06/66/74/263066674.db2.gz BHPZUMSKTBSXGA-OAHLLOKOSA-N 0 3 287.407 3.175 20 30 CGEDHN Cn1nccc1C1=CCN(CCCCC(C)(C)C#N)CC1 ZINC000285771952 263095733 /nfs/dbraw/zinc/09/57/33/263095733.db2.gz XZKDGFXFFCNLSM-UHFFFAOYSA-N 0 3 286.423 3.229 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c(C)c1OC ZINC000285930286 263096620 /nfs/dbraw/zinc/09/66/20/263096620.db2.gz CVOUQYWAKJZUDI-IHRRRGAJSA-N 0 3 288.391 3.355 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](c3ccccc3F)C2)C1 ZINC000293133398 263138282 /nfs/dbraw/zinc/13/82/82/263138282.db2.gz PVLJQYAEVBAYMY-HZSPNIEDSA-N 0 3 258.340 3.307 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC=C(c3ccccc3)C2)C1 ZINC000294208906 263157851 /nfs/dbraw/zinc/15/78/51/263157851.db2.gz RSSQWNZITTVDQV-WMLDXEAASA-N 0 3 252.361 3.468 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC=C(c3ccccc3)C2)C1 ZINC000294208889 263157933 /nfs/dbraw/zinc/15/79/33/263157933.db2.gz RSSQWNZITTVDQV-PBHICJAKSA-N 0 3 252.361 3.468 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(SCC(F)F)cc1 ZINC000353581144 263194046 /nfs/dbraw/zinc/19/40/46/263194046.db2.gz YNQVQTVIJPGDQJ-PWSUYJOCSA-N 0 3 287.375 3.241 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000298324551 263217700 /nfs/dbraw/zinc/21/77/00/263217700.db2.gz ZKXFXEOIOIIKHF-HZPDHXFCSA-N 0 3 270.376 3.375 20 30 CGEDHN COc1ccc([C@H](C)N[C@H](C)CCC#N)c(C)c1OC ZINC000298567184 263222716 /nfs/dbraw/zinc/22/27/16/263222716.db2.gz QABJVRIHKOPFRF-YPMHNXCESA-N 0 3 276.380 3.355 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@H](COc2ccccc2)C1 ZINC000298826274 263226600 /nfs/dbraw/zinc/22/66/00/263226600.db2.gz GMXBYHSTAYZSNV-CABCVRRESA-N 0 3 258.365 3.080 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2CC)CC1 ZINC000120895741 263289214 /nfs/dbraw/zinc/28/92/14/263289214.db2.gz LWPBKTQLKJROSZ-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(Cl)ccc1OC ZINC000341869327 263360652 /nfs/dbraw/zinc/36/06/52/263360652.db2.gz BDUWGXGBDCTHGG-VXGBXAGGSA-N 0 3 283.799 3.184 20 30 CGEDHN C=CCC(CC=C)C(=O)NCCN(C)Cc1ccccc1 ZINC000126101862 264122786 /nfs/dbraw/zinc/12/27/86/264122786.db2.gz VCAOFPNLZABWGM-UHFFFAOYSA-N 0 3 286.419 3.003 20 30 CGEDHN CC[C@@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331323159 264189986 /nfs/dbraw/zinc/18/99/86/264189986.db2.gz FOBJGDNNJHYIPU-INIZCTEOSA-N 0 3 285.391 3.279 20 30 CGEDHN C=CCN(CC=C)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000425409606 264285662 /nfs/dbraw/zinc/28/56/62/264285662.db2.gz VKOAIQRGMYFNFZ-MRXNPFEDSA-N 0 3 273.376 3.007 20 30 CGEDHN C=CCCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074445881 264305338 /nfs/dbraw/zinc/30/53/38/264305338.db2.gz HYXSJSRRALTOTO-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCC[C@H](O)CN1CCSC[C@@H]1c1ccccc1 ZINC000129180928 264319245 /nfs/dbraw/zinc/31/92/45/264319245.db2.gz RSLCNXXWRZHDAP-JKSUJKDBSA-N 0 3 277.433 3.104 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000424910252 264375488 /nfs/dbraw/zinc/37/54/88/264375488.db2.gz SIAUZNLYBVAETL-BZSNNMDCSA-N 0 3 296.414 3.311 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000289710394 264740746 /nfs/dbraw/zinc/74/07/46/264740746.db2.gz JBOFQRCVPXIOPB-UKRRQHHQSA-N 0 3 292.398 3.014 20 30 CGEDHN C=CC(C)(C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000295037475 265022368 /nfs/dbraw/zinc/02/23/68/265022368.db2.gz FTJGWZCVODWMIF-UHFFFAOYSA-N 0 3 260.381 3.207 20 30 CGEDHN CO[C@@]1(C)C[C@H](N(C)CCC(C)(C)C#N)C1(C)C ZINC000345706046 265097656 /nfs/dbraw/zinc/09/76/56/265097656.db2.gz FUVFOQKNEGLJDF-WFASDCNBSA-N 0 3 252.402 3.062 20 30 CGEDHN CN(CCOc1cccc(C#N)c1)CCc1cccs1 ZINC000096478030 265368033 /nfs/dbraw/zinc/36/80/33/265368033.db2.gz KYKKWNDIVHBXDK-UHFFFAOYSA-N 0 3 286.400 3.173 20 30 CGEDHN Cc1ccccc1CN(Cc1cccnc1)C(=O)C(C)C#N ZINC000357814708 266370572 /nfs/dbraw/zinc/37/05/72/266370572.db2.gz XBHYIXKVYJLCFV-HNNXBMFYSA-N 0 3 293.370 3.079 20 30 CGEDHN C=C(CNC(=O)c1ccc(CN(C)C)cc1)c1ccccc1 ZINC000360213685 266694438 /nfs/dbraw/zinc/69/44/38/266694438.db2.gz QVWYZDNALVSDBI-UHFFFAOYSA-N 0 3 294.398 3.191 20 30 CGEDHN C[C@H](NCC[C@@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000527923118 270144629 /nfs/dbraw/zinc/14/46/29/270144629.db2.gz BVOBFDSTCYPKOA-STQMWFEESA-N 0 3 276.355 3.165 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000362690235 267035815 /nfs/dbraw/zinc/03/58/15/267035815.db2.gz PJZQBUFYSTUVSL-XHDPSFHLSA-N 0 3 274.339 3.333 20 30 CGEDHN C=CCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116066916 267121206 /nfs/dbraw/zinc/12/12/06/267121206.db2.gz WSLIQIGFQHEMOP-OAHLLOKOSA-N 0 3 286.419 3.294 20 30 CGEDHN C=CCCCCCN1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000369534152 267249731 /nfs/dbraw/zinc/24/97/31/267249731.db2.gz YIMHBZNHNIQYDW-HZPDHXFCSA-N 0 3 267.413 3.003 20 30 CGEDHN C=CCCCCCN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369879202 267272921 /nfs/dbraw/zinc/27/29/21/267272921.db2.gz XWARJLPNZJRFLA-INIZCTEOSA-N 0 3 267.413 3.003 20 30 CGEDHN C[C@H](CC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457194813 267815626 /nfs/dbraw/zinc/81/56/26/267815626.db2.gz PPCJSSXJIJLWHX-CZUORRHYSA-N 0 3 297.402 3.181 20 30 CGEDHN N#Cc1cccc(OCCN2CCCc3ccccc3C2)c1 ZINC000316634822 268274262 /nfs/dbraw/zinc/27/42/62/268274262.db2.gz DYCYCVZUABDFLY-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN Cc1cnccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334926889 274828287 /nfs/dbraw/zinc/82/82/87/274828287.db2.gz UMXAAUYXZJHQDM-GOSISDBHSA-N 0 3 277.371 3.429 20 30 CGEDHN CC(C)OC[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000418149917 275660219 /nfs/dbraw/zinc/66/02/19/275660219.db2.gz VIUBEETZWVHWEX-DYVFJYSZSA-N 0 3 272.392 3.339 20 30 CGEDHN COC1([C@@H](C)NCc2ccc(C#N)c(F)c2)CCCC1 ZINC000421860169 277472405 /nfs/dbraw/zinc/47/24/05/277472405.db2.gz SZAKGGWFMIWCJM-GFCCVEGCSA-N 0 3 276.355 3.135 20 30 CGEDHN CO[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356410222 277712514 /nfs/dbraw/zinc/71/25/14/277712514.db2.gz VYXHAOHAQUIHML-NXEZZACHSA-N 0 3 286.297 3.090 20 30 CGEDHN COc1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000192957572 278033739 /nfs/dbraw/zinc/03/37/39/278033739.db2.gz OJHPXFHSOSCQFT-ZENOOKHLSA-N 0 3 270.376 3.354 20 30 CGEDHN C[C@@H](NCc1ccccc1N(C)C)c1ccc(C#N)cc1 ZINC000263841638 278358927 /nfs/dbraw/zinc/35/89/27/278358927.db2.gz HFQMHOCQYSXOIZ-CQSZACIVSA-N 0 3 279.387 3.475 20 30 CGEDHN C[C@@H](O)CN(Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000428227213 278394809 /nfs/dbraw/zinc/39/48/09/278394809.db2.gz IAKTYJPFFCEZCO-CYBMUJFWSA-N 0 3 290.382 3.213 20 30 CGEDHN C[C@@]1(CNCc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000352835190 279161602 /nfs/dbraw/zinc/16/16/02/279161602.db2.gz KIGOCSVWGCVDMF-AWEZNQCLSA-N 0 3 298.308 3.236 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2cn[nH]c2)CC1 ZINC000365227584 279595909 /nfs/dbraw/zinc/59/59/09/279595909.db2.gz QMYQIRDBDCGKQS-CYBMUJFWSA-N 0 3 280.375 3.222 20 30 CGEDHN N#CCCCN[C@H]1CCc2cc(Br)ccc21 ZINC000273287595 327899351 /nfs/dbraw/zinc/89/93/51/327899351.db2.gz RNYSZHRCTRETFM-ZDUSSCGKSA-N 0 3 279.181 3.330 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CSC2(C)C)cc1OC ZINC000338481535 327981960 /nfs/dbraw/zinc/98/19/60/327981960.db2.gz YUYKRADNPSTWCD-OAHLLOKOSA-N 0 3 293.432 3.244 20 30 CGEDHN C=CCSCCNCc1conc1Cc1ccccc1 ZINC000339235445 328002616 /nfs/dbraw/zinc/00/26/16/328002616.db2.gz HEMUYLXXKCNDMD-UHFFFAOYSA-N 0 3 288.416 3.274 20 30 CGEDHN CC(C)(CO)[C@H](NCC#Cc1ccccc1Cl)C1CC1 ZINC000563507287 328070795 /nfs/dbraw/zinc/07/07/95/328070795.db2.gz STOZJFZFAIYXFF-MRXNPFEDSA-N 0 3 291.822 3.078 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3c2cccc3F)C1 ZINC000274222063 328209737 /nfs/dbraw/zinc/20/97/37/328209737.db2.gz QBAPUHJRYITVJQ-HSMVNMDESA-N 0 3 258.340 3.485 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000274637582 328212131 /nfs/dbraw/zinc/21/21/31/328212131.db2.gz QIBYJPDMJDLQPA-OBJOEFQTSA-N 0 3 274.364 3.047 20 30 CGEDHN CCCc1nc(C)c(CNCC(C)(C)CCC#N)o1 ZINC000291696907 328265705 /nfs/dbraw/zinc/26/57/05/328265705.db2.gz JSYOBCLMIFJHRL-UHFFFAOYSA-N 0 3 263.385 3.355 20 30 CGEDHN COc1ccc(F)c(CNCC2CCC(C#N)CC2)c1 ZINC000292939367 328273955 /nfs/dbraw/zinc/27/39/55/328273955.db2.gz BYSVZTFBFXDLPJ-UHFFFAOYSA-N 0 3 276.355 3.254 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000293158139 328274540 /nfs/dbraw/zinc/27/45/40/328274540.db2.gz RIVLKMJXWOGDFN-MSOLQXFVSA-N 0 3 297.446 3.275 20 30 CGEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(=O)[nH]n1 ZINC000340443313 328278055 /nfs/dbraw/zinc/27/80/55/328278055.db2.gz GGHXWLROZBBURV-BBRMVZONSA-N 0 3 296.374 3.268 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)[C@@H]2CCCC[C@H]12 ZINC000565750923 322089509 /nfs/dbraw/zinc/08/95/09/322089509.db2.gz LMNRBLFXDIPURL-KBRIMQKVSA-N 0 3 271.408 3.297 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1ncnn1C(C)(C)C ZINC000282697428 328511632 /nfs/dbraw/zinc/51/16/32/328511632.db2.gz KRULSSGWJBTAEG-CYBMUJFWSA-N 0 3 264.417 3.258 20 30 CGEDHN C=CCCC(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000556851398 326972184 /nfs/dbraw/zinc/97/21/84/326972184.db2.gz PATMVJJUSZBXIA-AWEZNQCLSA-N 0 3 294.826 3.068 20 30 CGEDHN CCc1ccc([C@@H](CNCCC#N)N(CC)CC)cc1 ZINC000584108464 326972968 /nfs/dbraw/zinc/97/29/68/326972968.db2.gz FVERBMZNKWYYMQ-QGZVFWFLSA-N 0 3 273.424 3.135 20 30 CGEDHN N#Cc1cc(Br)ccc1CNC1(C2CC2)CC1 ZINC000584164527 327053950 /nfs/dbraw/zinc/05/39/50/327053950.db2.gz YGMQAXXNIAXHFK-UHFFFAOYSA-N 0 3 291.192 3.353 20 30 CGEDHN COCCCCN(CCCC#N)Cc1ccccc1 ZINC000065165253 327062119 /nfs/dbraw/zinc/06/21/19/327062119.db2.gz ILRJERONEGUEBW-UHFFFAOYSA-N 0 3 260.381 3.219 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccccc1OCC ZINC000090883437 327101480 /nfs/dbraw/zinc/10/14/80/327101480.db2.gz WNWFILDAKNLDHP-AWEZNQCLSA-N 0 3 263.381 3.329 20 30 CGEDHN CCCn1nc(C)c(CN2CCC(CCC#N)CC2)c1C ZINC000564990889 327342385 /nfs/dbraw/zinc/34/23/85/327342385.db2.gz OWAQVNIEIKIWLT-UHFFFAOYSA-N 0 3 288.439 3.426 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CCC)CCN1CCCCC1 ZINC000561265460 327381007 /nfs/dbraw/zinc/38/10/07/327381007.db2.gz BJAYPCFDFQGHAY-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000569696337 327536615 /nfs/dbraw/zinc/53/66/15/327536615.db2.gz UJYMKDYQGWYLEF-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(Br)cc1 ZINC000051663565 328627052 /nfs/dbraw/zinc/62/70/52/328627052.db2.gz GKPUTGZROKLKAC-SNVBAGLBSA-N 0 3 252.155 3.123 20 30 CGEDHN C#Cc1ccc(CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000375081278 329000097 /nfs/dbraw/zinc/00/00/97/329000097.db2.gz PPJIQTQFDNAQGY-UHFFFAOYSA-N 0 3 299.805 3.355 20 30 CGEDHN C#Cc1ccc(CN2CCC(c3nccc(C)n3)CC2)cc1 ZINC000377612465 329020110 /nfs/dbraw/zinc/02/01/10/329020110.db2.gz AFLJXVZIRATFDH-UHFFFAOYSA-N 0 3 291.398 3.146 20 30 CGEDHN CC[C@H](CC#N)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000184085323 329255819 /nfs/dbraw/zinc/25/58/19/329255819.db2.gz VCHFRWHPSLIGDB-ROKHWSDSSA-N 0 3 280.412 3.169 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccccc1OC(F)F ZINC000321095903 329258688 /nfs/dbraw/zinc/25/86/88/329258688.db2.gz LCRMQMKCRKAFAZ-NWDGAFQWSA-N 0 3 285.334 3.266 20 30 CGEDHN N#Cc1cccc(C2(NCCOc3ccccc3F)CC2)c1 ZINC000582980017 329293839 /nfs/dbraw/zinc/29/38/39/329293839.db2.gz NWPROBDRNVCEBE-UHFFFAOYSA-N 0 3 296.345 3.355 20 30 CGEDHN CC(C)[C@H]1CCCN(Cc2ccc(C#N)cn2)CC1 ZINC000583091960 329314488 /nfs/dbraw/zinc/31/44/88/329314488.db2.gz ANDSJYNUAWXVBX-HNNXBMFYSA-N 0 3 257.381 3.211 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000186008585 329335820 /nfs/dbraw/zinc/33/58/20/329335820.db2.gz VPSUKKFNYRSQDI-JKSUJKDBSA-N 0 3 288.435 3.225 20 30 CGEDHN C[C@@H]1CCCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000187952466 329361777 /nfs/dbraw/zinc/36/17/77/329361777.db2.gz HOBKDYSWBIROHZ-MRXNPFEDSA-N 0 3 299.418 3.055 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccccc1Br ZINC000321520528 329372109 /nfs/dbraw/zinc/37/21/09/329372109.db2.gz XEJRTZZJFXHNQA-RYUDHWBXSA-N 0 3 298.224 3.427 20 30 CGEDHN C=CCc1ccc(OCCN2CCCCC2)c(OC)c1 ZINC000195596473 329694060 /nfs/dbraw/zinc/69/40/60/329694060.db2.gz ORYUYGBTMFCVKP-UHFFFAOYSA-N 0 3 275.392 3.288 20 30 CGEDHN C=CCC[C@@H](CC)NCc1ncnn1-c1ccccc1 ZINC000279599323 330123637 /nfs/dbraw/zinc/12/36/37/330123637.db2.gz WBKXCUQDCYJQIW-CQSZACIVSA-N 0 3 270.380 3.102 20 30 CGEDHN C=C(C)CN[C@@H](C)c1ccc(Br)cn1 ZINC000280191483 330125004 /nfs/dbraw/zinc/12/50/04/330125004.db2.gz SFVYNHFKNMRROB-VIFPVBQESA-N 0 3 255.159 3.071 20 30 CGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000424077262 330221031 /nfs/dbraw/zinc/22/10/31/330221031.db2.gz BBXCARDCTAENDM-AWEZNQCLSA-N 0 3 299.399 3.375 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](CC(C)C)C2)nn1 ZINC000424176029 330316182 /nfs/dbraw/zinc/31/61/82/330316182.db2.gz WOFYMXOEJLCDLP-LSDHHAIUSA-N 0 3 276.428 3.159 20 30 CGEDHN CC(C)(C)[C@H]1CN(C(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424182488 330319971 /nfs/dbraw/zinc/31/99/71/330319971.db2.gz AADOWADCSABNTM-GJZGRUSLSA-N 0 3 299.418 3.184 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCCC23CCCCC3)nn1 ZINC000424291134 330334764 /nfs/dbraw/zinc/33/47/64/330334764.db2.gz DARINADPWJPLAO-OAHLLOKOSA-N 0 3 274.412 3.057 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)c1ccccn1 ZINC000424292292 330335006 /nfs/dbraw/zinc/33/50/06/330335006.db2.gz GGODKHZZFNSXSA-YTQUADARSA-N 0 3 294.398 3.352 20 30 CGEDHN C=CCn1cc(CNC(CC(C)C)CC(C)C)nn1 ZINC000424301312 330337891 /nfs/dbraw/zinc/33/78/91/330337891.db2.gz ZSBRQNMPBGUFRU-UHFFFAOYSA-N 0 3 264.417 3.015 20 30 CGEDHN COc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000424316114 330339427 /nfs/dbraw/zinc/33/94/27/330339427.db2.gz ANGICFYTEZKAIZ-DXCKQFNASA-N 0 3 270.376 3.354 20 30 CGEDHN COc1ccc2c(c1)CCC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424316236 330339473 /nfs/dbraw/zinc/33/94/73/330339473.db2.gz AWIYGIHPBMDYOB-DXCKQFNASA-N 0 3 270.376 3.354 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000424323291 330340501 /nfs/dbraw/zinc/34/05/01/330340501.db2.gz IXTWMCFLRJLJRM-DCAQKATOSA-N 0 3 282.409 3.181 20 30 CGEDHN CO[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424336701 330343562 /nfs/dbraw/zinc/34/35/62/330343562.db2.gz YKLKNDAWSSHWCW-UGQVUOCMSA-N 0 3 258.365 3.044 20 30 CGEDHN CC[C@H]1CN(C)c2ccccc2CN1CCCC#N ZINC000088562432 330377371 /nfs/dbraw/zinc/37/73/71/330377371.db2.gz UBZIDQBVYOVKSW-HNNXBMFYSA-N 0 3 257.381 3.021 20 30 CGEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NC[C@H](C#N)CCC#N ZINC000515832426 330483866 /nfs/dbraw/zinc/48/38/66/330483866.db2.gz VRADVSGOKICSJV-DOTOQJQBSA-N 0 3 287.382 3.426 20 30 CGEDHN C=CCCCCCN1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428936120 330534663 /nfs/dbraw/zinc/53/46/63/330534663.db2.gz ZQJYTMCPGZIDKW-UHFFFAOYSA-N 0 3 299.480 3.024 20 30 CGEDHN Cc1ccc([C@H](CN[C@@H]2CC[C@H](C#N)C2)N2CCCC2)o1 ZINC000442793116 330784026 /nfs/dbraw/zinc/78/40/26/330784026.db2.gz POBOZOHYADFVSS-XHSDSOJGSA-N 0 3 287.407 3.007 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H](N(C)C)C2)CCCCC1 ZINC000448881883 330886843 /nfs/dbraw/zinc/88/68/43/330886843.db2.gz MOOSELUKFPDION-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN COc1cnccc1[C@H](C)NC1CCC(C)(C#N)CC1 ZINC000449269965 330911143 /nfs/dbraw/zinc/91/11/43/330911143.db2.gz PAOSEZUGXKJUMT-FUJMWEONSA-N 0 3 273.380 3.213 20 30 CGEDHN C=C(C)CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449470059 330928292 /nfs/dbraw/zinc/92/82/92/330928292.db2.gz ABSRKURURGQDIO-UHFFFAOYSA-N 0 3 286.278 3.252 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000449695201 330944233 /nfs/dbraw/zinc/94/42/33/330944233.db2.gz DKRMFZCUSWBVIU-NSHDSACASA-N 0 3 294.445 3.288 20 30 CGEDHN C=C(CC)CNCc1c(C(C)C)nc2sc(C)nn21 ZINC000449730655 330946030 /nfs/dbraw/zinc/94/60/30/330946030.db2.gz FVYTWSCASDWUOO-UHFFFAOYSA-N 0 3 278.425 3.278 20 30 CGEDHN N#CCCOCCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451357073 331025544 /nfs/dbraw/zinc/02/55/44/331025544.db2.gz SIXVGAZNQBBSNF-HNNXBMFYSA-N 0 3 296.773 3.450 20 30 CGEDHN C=CCOCCCN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451405251 331027879 /nfs/dbraw/zinc/02/78/79/331027879.db2.gz HSIFHBXJHQXGQD-VXGBXAGGSA-N 0 3 265.319 3.242 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2ccccc2Cl)[C@@H]2CCO[C@H]21 ZINC000451473513 331030847 /nfs/dbraw/zinc/03/08/47/331030847.db2.gz WOHQKSYAUSSAJB-NUEKZKHPSA-N 0 3 289.806 3.095 20 30 CGEDHN N#CCCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544017 331033557 /nfs/dbraw/zinc/03/35/57/331033557.db2.gz CZYHZRUUCBQJBR-AWEZNQCLSA-N 0 3 273.336 3.078 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc(F)cc1F ZINC000451603705 331036056 /nfs/dbraw/zinc/03/60/56/331036056.db2.gz DQUQVDZNFHJZIP-KFWWJZLASA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000451608051 331036584 /nfs/dbraw/zinc/03/65/84/331036584.db2.gz MGDZKILLHVVDII-XHSDSOJGSA-N 0 3 261.340 3.136 20 30 CGEDHN C=C(CN[C@H]1COc2ccc(OC)cc2C1)c1ccccc1 ZINC000453096377 331088927 /nfs/dbraw/zinc/08/89/27/331088927.db2.gz ZQIHWEFYSYKAIT-QGZVFWFLSA-N 0 3 295.382 3.302 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cc(-c2ccccc2)nn1C ZINC000453205584 331101267 /nfs/dbraw/zinc/10/12/67/331101267.db2.gz DICRUJIFVHLVGU-AWEZNQCLSA-N 0 3 294.402 3.432 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1OCC ZINC000453347010 331120009 /nfs/dbraw/zinc/12/00/09/331120009.db2.gz GWRWCGVKVPACQC-YUELXQCFSA-N 0 3 261.365 3.079 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000453349869 331120608 /nfs/dbraw/zinc/12/06/08/331120608.db2.gz ISKLTWQTRCLFOJ-YUTCNCBUSA-N 0 3 293.432 3.411 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cc(F)ccc1F ZINC000453360500 331122392 /nfs/dbraw/zinc/12/23/92/331122392.db2.gz OIWLMKUVFRQYAN-ZNMIVQPWSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2nc(CC)sc21 ZINC000453362782 331122881 /nfs/dbraw/zinc/12/28/81/331122881.db2.gz PNZSQFQFFGQZAH-MDZLAQPJSA-N 0 3 278.421 3.016 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cccc(OC)c1 ZINC000453371504 331124129 /nfs/dbraw/zinc/12/41/29/331124129.db2.gz UTVFITCQYJDOLG-OAGGEKHMSA-N 0 3 261.365 3.079 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453372881 331124328 /nfs/dbraw/zinc/12/43/28/331124328.db2.gz VIEFMQNSKBEDTE-HOCLYGCPSA-N 0 3 299.418 3.065 20 30 CGEDHN CC1(C2(NC(=O)C(C#N)CCc3ccccc3)CC2)CC1 ZINC000456638849 331197988 /nfs/dbraw/zinc/19/79/88/331197988.db2.gz DCDFAINZLITQRU-HNNXBMFYSA-N 0 3 282.387 3.208 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC000457538196 331226362 /nfs/dbraw/zinc/22/63/62/331226362.db2.gz GKBWFXXDEAKGQR-KSSFIOAISA-N 0 3 292.467 3.215 20 30 CGEDHN CC(C)(CC#N)CNCc1cc2c(cccc2F)[nH]1 ZINC000459727508 331296164 /nfs/dbraw/zinc/29/61/64/331296164.db2.gz GSSVVFGYPVARBD-UHFFFAOYSA-N 0 3 259.328 3.336 20 30 CGEDHN C=CC[C@H](C)[C@H](C)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462876901 331333731 /nfs/dbraw/zinc/33/37/31/331333731.db2.gz YDZWDJNEKSURRJ-MPGHIAIKSA-N 0 3 288.435 3.266 20 30 CGEDHN C=CCn1cccc1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000488797718 332026132 /nfs/dbraw/zinc/02/61/32/332026132.db2.gz IZNHUSXYXXEXDY-UHFFFAOYSA-N 0 3 297.402 3.296 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)N(C)c1ccccc1 ZINC000489448703 332053222 /nfs/dbraw/zinc/05/32/22/332053222.db2.gz NGJSVLSGJPJUAK-OAHLLOKOSA-N 0 3 272.392 3.080 20 30 CGEDHN C=C[C@H]1CCCCN1CCc1nc2ccccc2n1C ZINC000489461263 332053937 /nfs/dbraw/zinc/05/39/37/332053937.db2.gz ILFVKZSFNVEMBD-AWEZNQCLSA-N 0 3 269.392 3.156 20 30 CGEDHN C#CCN(CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000491209395 332166228 /nfs/dbraw/zinc/16/62/28/332166228.db2.gz GOWMZZOLQQMTMI-UHFFFAOYSA-N 0 3 296.414 3.222 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(-c2cccnc2)c1 ZINC000491427011 332209416 /nfs/dbraw/zinc/20/94/16/332209416.db2.gz ILKIZHROMDPGEN-AWEZNQCLSA-N 0 3 250.345 3.202 20 30 CGEDHN C[C@H]1CSC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000512161995 332955415 /nfs/dbraw/zinc/95/54/15/332955415.db2.gz IMGWIXWTCSYLMD-SMDDNHRTSA-N 0 3 265.809 3.033 20 30 CGEDHN C[C@@H]1CSC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000512161994 332955494 /nfs/dbraw/zinc/95/54/94/332955494.db2.gz IMGWIXWTCSYLMD-RISCZKNCSA-N 0 3 265.809 3.033 20 30 CGEDHN C[C@H](NCC#Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000513192991 333007630 /nfs/dbraw/zinc/00/76/30/333007630.db2.gz WKYSUERYAGOFHO-AWEZNQCLSA-N 0 3 275.355 3.265 20 30 CGEDHN CC(C)(C)CCN1CCN(CCCC(C)(C)C#N)CC1 ZINC000174831617 333008419 /nfs/dbraw/zinc/00/84/19/333008419.db2.gz DPCFWGFIQLDSAZ-UHFFFAOYSA-N 0 3 279.472 3.370 20 30 CGEDHN C=C(C)[C@@H](NC1CCOCC1)c1ccc(F)c(F)c1 ZINC000186451755 333161099 /nfs/dbraw/zinc/16/10/99/333161099.db2.gz GPZIUWHLHHMXDX-OAHLLOKOSA-N 0 3 267.319 3.351 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1nc2cc(OC)ccc2n1C ZINC000186535432 333162602 /nfs/dbraw/zinc/16/26/02/333162602.db2.gz HTECCCLBPVIDDG-STQMWFEESA-N 0 3 287.407 3.272 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000195725153 333261954 /nfs/dbraw/zinc/26/19/54/333261954.db2.gz REAZGEVZWWCESL-HXUWFJFHSA-N 0 3 295.426 3.321 20 30 CGEDHN C=CCCCCCN(CC(=O)OC)C1CCCC1 ZINC000234514253 333360500 /nfs/dbraw/zinc/36/05/00/333360500.db2.gz OHMYOYJRFVUXNJ-UHFFFAOYSA-N 0 3 253.386 3.150 20 30 CGEDHN N#CCSCCCN(Cc1cccc(F)c1)C1CC1 ZINC000074981953 334021668 /nfs/dbraw/zinc/02/16/68/334021668.db2.gz SKWFCWMIOSSYQR-UHFFFAOYSA-N 0 3 278.396 3.437 20 30 CGEDHN C=C(C)COCCNCc1c[nH]nc1-c1cccc(C)c1 ZINC000134503037 334092490 /nfs/dbraw/zinc/09/24/90/334092490.db2.gz ONKNPVRQMIRJHR-UHFFFAOYSA-N 0 3 285.391 3.067 20 30 CGEDHN C=C(C)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550010346 334211400 /nfs/dbraw/zinc/21/14/00/334211400.db2.gz QOUYZYIMPMRAMJ-CQSZACIVSA-N 0 3 251.757 3.369 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@@H]2CO)cc1Cl ZINC000249038553 334325334 /nfs/dbraw/zinc/32/53/34/334325334.db2.gz CRFOQHCLIXQGPB-DOMZBBRYSA-N 0 3 295.810 3.108 20 30 CGEDHN C=CCOc1cccc(CN2CCCO[C@H](C(C)C)C2)c1 ZINC000552444263 334327784 /nfs/dbraw/zinc/32/77/84/334327784.db2.gz ZTLPKHMUVOERDD-SFHVURJKSA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCC[C@H](NC[C@@H](CO)C(C)C)c1ccco1 ZINC000554373390 334425917 /nfs/dbraw/zinc/42/59/17/334425917.db2.gz HBWIWIAUGRWDNJ-KBPBESRZSA-N 0 3 251.370 3.141 20 30 CGEDHN C=CCOc1ccccc1CN1CCC2(CCO2)CC1 ZINC000554574409 334439998 /nfs/dbraw/zinc/43/99/98/334439998.db2.gz DQTMVGPVQIGALE-UHFFFAOYSA-N 0 3 273.376 3.006 20 30 CGEDHN CC[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)N(CC)CC ZINC000555210650 334471200 /nfs/dbraw/zinc/47/12/00/334471200.db2.gz YMTHAYQJROAHIK-RDJZCZTQSA-N 0 3 293.455 3.086 20 30 CGEDHN CCCC(=O)Nc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000576302745 335187105 /nfs/dbraw/zinc/18/71/05/335187105.db2.gz USASKEUCRTVURB-HIFRSBDPSA-N 0 3 285.391 3.207 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000576870062 335258032 /nfs/dbraw/zinc/25/80/32/335258032.db2.gz KMOMQQXLNBVVPL-WMZOPIPTSA-N 0 3 287.378 3.068 20 30 CGEDHN COc1ccccc1[C@@H](CO)NCCCCC(C)(C)C#N ZINC000576932368 335265511 /nfs/dbraw/zinc/26/55/11/335265511.db2.gz NAYFXTYJEUSDOS-OAHLLOKOSA-N 0 3 290.407 3.038 20 30 CGEDHN C=CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000178689330 335445303 /nfs/dbraw/zinc/44/53/03/335445303.db2.gz GXASEYNHXNUSOT-OAHLLOKOSA-N 0 3 290.363 3.438 20 30 CGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)C2(C#N)CCCC2)cc1 ZINC000578543093 335647790 /nfs/dbraw/zinc/64/77/90/335647790.db2.gz TYZXIIVRHRQPET-INIZCTEOSA-N 0 3 299.418 3.010 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(C)cc1 ZINC000182326140 335810688 /nfs/dbraw/zinc/81/06/88/335810688.db2.gz WYKADVDYXOGVFF-OAHLLOKOSA-N 0 3 274.408 3.070 20 30 CGEDHN C=C(C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000387363976 336193191 /nfs/dbraw/zinc/19/31/91/336193191.db2.gz HJWBYVUSJKCCFH-UHFFFAOYSA-N 0 3 254.717 3.304 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187259048 500574576 /nfs/dbraw/zinc/57/45/76/500574576.db2.gz QKGXRSPOBMVGPY-PBHICJAKSA-N 0 3 274.408 3.150 20 30 CGEDHN C[C@@H]1CC[C@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000364490670 534235995 /nfs/dbraw/zinc/23/59/95/534235995.db2.gz LRDNYVYZOFUJQA-RDTXWAMCSA-N 0 3 282.387 3.215 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(OCc2ccccc2)cc1 ZINC000184263111 519119188 /nfs/dbraw/zinc/11/91/88/519119188.db2.gz BFTJXRCDOOPVSM-GOSISDBHSA-N 0 3 297.398 3.292 20 30 CGEDHN C=C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000264121291 534459367 /nfs/dbraw/zinc/45/93/67/534459367.db2.gz RDDZYIJHBWIMPF-UHFFFAOYSA-N 0 3 284.403 3.075 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cnn(C(C)C)c1C ZINC000191396426 534778729 /nfs/dbraw/zinc/77/87/29/534778729.db2.gz AFBDYADIRBTWSW-ZDUSSCGKSA-N 0 3 265.401 3.016 20 30 CGEDHN C=CCOCCCN1CC=C(c2ccc(O)cc2)CC1 ZINC000347960187 526750314 /nfs/dbraw/zinc/75/03/14/526750314.db2.gz FGXWHLQPYCRCNK-UHFFFAOYSA-N 0 3 273.376 3.074 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000344309024 527082787 /nfs/dbraw/zinc/08/27/87/527082787.db2.gz UNFLPDWLUSLJGF-CHWSQXEVSA-N 0 3 289.375 3.277 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000346976280 527194372 /nfs/dbraw/zinc/19/43/72/527194372.db2.gz ZLKTXTTVOMLLKZ-LSDHHAIUSA-N 0 3 286.419 3.251 20 30 CGEDHN C=CCCOCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344866344 527366300 /nfs/dbraw/zinc/36/63/00/527366300.db2.gz OEWAYOBAPAACAM-SDNWHVSQSA-N 0 3 290.363 3.180 20 30 CGEDHN C=CCC[C@@H](NCC1(CO)CCCC1)c1ccco1 ZINC000353670537 527447449 /nfs/dbraw/zinc/44/74/49/527447449.db2.gz LUCYASQPKXKCSL-CQSZACIVSA-N 0 3 263.381 3.429 20 30 CGEDHN C=CCN(CC=C)C(=O)CN([C@H](C)[C@@H](C)CC)C1CC1 ZINC000355799352 527608570 /nfs/dbraw/zinc/60/85/70/527608570.db2.gz PPKNWBSFMMVOOI-LSDHHAIUSA-N 0 3 278.440 3.086 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352192431 527631501 /nfs/dbraw/zinc/63/15/01/527631501.db2.gz VGDHXZGGOLFBPB-HNNXBMFYSA-N 0 3 290.451 3.088 20 30 CGEDHN CC(C)Cc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000344335608 528654333 /nfs/dbraw/zinc/65/43/33/528654333.db2.gz FCVAIXMHUMMVLG-QWHCGFSZSA-N 0 3 258.365 3.222 20 30 CGEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)C12CCC2 ZINC000459774460 536797144 /nfs/dbraw/zinc/79/71/44/536797144.db2.gz UDXDHSLDKQAZBZ-HUUCEWRRSA-N 0 3 290.794 3.259 20 30 CGEDHN CCN(CC)c1ccc(C=NNC2CCCC2)cc1 ZINC000727652340 571760172 /nfs/dbraw/zinc/76/01/72/571760172.db2.gz GUSWELYYLQFEBT-UHFFFAOYSA-N 0 3 259.397 3.399 20 30 CGEDHN CN(C)c1ccc(C=NNCCCc2ccccc2)cc1 ZINC000729145753 571878095 /nfs/dbraw/zinc/87/80/95/571878095.db2.gz CPJOLWDMCKTVLP-UHFFFAOYSA-N 0 3 281.403 3.309 20 30 CGEDHN C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC000725778715 572399791 /nfs/dbraw/zinc/39/97/91/572399791.db2.gz OLLPVRMUSNBLAC-CYBMUJFWSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC000725778715 572399794 /nfs/dbraw/zinc/39/97/94/572399794.db2.gz OLLPVRMUSNBLAC-CYBMUJFWSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCCC[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000398156752 572497488 /nfs/dbraw/zinc/49/74/88/572497488.db2.gz GSJQTGZYYQLYQW-CYBMUJFWSA-N 0 3 257.381 3.408 20 30 CGEDHN C#CCOc1ccc(CN[C@H](C)COc2ccccc2)cc1 ZINC000733325994 572556536 /nfs/dbraw/zinc/55/65/36/572556536.db2.gz CCJGXDYMFBGCFI-MRXNPFEDSA-N 0 3 295.382 3.256 20 30 CGEDHN COc1ccc(CNCc2cc3ccccc3[nH]2)cc1C#N ZINC000742368504 572568817 /nfs/dbraw/zinc/56/88/17/572568817.db2.gz ILNIZJYLSZLTQD-UHFFFAOYSA-N 0 3 291.354 3.338 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)/C=C(\C)C(C)(C)C)CC1 ZINC000742642359 572602568 /nfs/dbraw/zinc/60/25/68/572602568.db2.gz JDJOFMCFNGOAOX-SDNWHVSQSA-N 0 3 278.440 3.136 20 30 CGEDHN N#CC(C(=O)C1=COCCC1)c1ccc2ccccc2n1 ZINC000744016636 572697215 /nfs/dbraw/zinc/69/72/15/572697215.db2.gz PVDSACWUSYQHOM-CQSZACIVSA-N 0 3 278.311 3.105 20 30 CGEDHN N#CC(C(=O)CC1CCOCC1)c1ccc2ccccc2n1 ZINC000735395861 572718574 /nfs/dbraw/zinc/71/85/74/572718574.db2.gz GQMHYGBGEUTMLA-HNNXBMFYSA-N 0 3 294.354 3.228 20 30 CGEDHN C=CCCCN(CC)CC(=O)NCc1ccc(Cl)cc1 ZINC000735492629 572725875 /nfs/dbraw/zinc/72/58/75/572725875.db2.gz PGTZAKFXQZLDSV-UHFFFAOYSA-N 0 3 294.826 3.244 20 30 CGEDHN CCCCCCN(C)CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000735658411 572737177 /nfs/dbraw/zinc/73/71/77/572737177.db2.gz ATCAOSOCNNOEKB-DOTOQJQBSA-N 0 3 293.455 3.087 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC(C)C)nc21 ZINC000735791296 572741052 /nfs/dbraw/zinc/74/10/52/572741052.db2.gz NAYDFPZCKATYDY-NSHDSACASA-N 0 3 255.321 3.094 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC(C)C)[nH]c21 ZINC000735791296 572741056 /nfs/dbraw/zinc/74/10/56/572741056.db2.gz NAYDFPZCKATYDY-NSHDSACASA-N 0 3 255.321 3.094 20 30 CGEDHN C(#Cc1ccccc1)CNCc1ccc(-n2cccn2)cc1 ZINC000736353102 572783469 /nfs/dbraw/zinc/78/34/69/572783469.db2.gz DKVACKYYLNQDPD-UHFFFAOYSA-N 0 3 287.366 3.014 20 30 CGEDHN CCCNN=C1CCCC[C@@H]1N1CCCCCC1 ZINC000749814609 573040981 /nfs/dbraw/zinc/04/09/81/573040981.db2.gz FMAOSTIIAPBJQE-HNNXBMFYSA-N 0 3 251.418 3.161 20 30 CGEDHN CCOc1ccc(/C=N/[C@@H]2CCC[C@H]([NH+](C)C)C2)c([O-])c1 ZINC000749844613 573046479 /nfs/dbraw/zinc/04/64/79/573046479.db2.gz KZBIWVSMIDQMQI-NLGCMCFESA-N 0 3 290.407 3.083 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819733758 607014749 /nfs/dbraw/zinc/01/47/49/607014749.db2.gz BDIXEWBKZZQXFA-IUODEOHRSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819733758 607014750 /nfs/dbraw/zinc/01/47/50/607014750.db2.gz BDIXEWBKZZQXFA-IUODEOHRSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819733759 607014923 /nfs/dbraw/zinc/01/49/23/607014923.db2.gz BDIXEWBKZZQXFA-SWLSCSKDSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819733759 607014925 /nfs/dbraw/zinc/01/49/25/607014925.db2.gz BDIXEWBKZZQXFA-SWLSCSKDSA-N 0 3 285.395 3.262 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965475868 613325431 /nfs/dbraw/zinc/32/54/31/613325431.db2.gz KNKRTIIYGPNHSK-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000969832411 613503389 /nfs/dbraw/zinc/50/33/89/613503389.db2.gz UPECOTWPPAGFJO-GDBMZVCRSA-N 0 3 292.448 3.041 20 30 CGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968504128 613528876 /nfs/dbraw/zinc/52/88/76/613528876.db2.gz DXZCZJIJDPZPSS-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000972758814 613546077 /nfs/dbraw/zinc/54/60/77/613546077.db2.gz XQUZIYHEKJIJHA-CQSZACIVSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cscc1C ZINC000968804609 613687865 /nfs/dbraw/zinc/68/78/65/613687865.db2.gz ZHTWRDQPPRTRDK-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000940673598 613740604 /nfs/dbraw/zinc/74/06/04/613740604.db2.gz PSAHHUVHXBVCAJ-CQSZACIVSA-N 0 3 294.414 3.187 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000947956330 613752646 /nfs/dbraw/zinc/75/26/46/613752646.db2.gz BRLGXFDMWSRGLN-SWLSCSKDSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000941002109 613779724 /nfs/dbraw/zinc/77/97/24/613779724.db2.gz FBVOSLPXCXYGLT-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000941172429 613784217 /nfs/dbraw/zinc/78/42/17/613784217.db2.gz BVHVOUWUSREQBF-JYJNAYRXSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2Cl)C[C@H]1C ZINC000947958031 613792348 /nfs/dbraw/zinc/79/23/48/613792348.db2.gz OPSITOOJPVXBLY-OLZOCXBDSA-N 0 3 292.810 3.109 20 30 CGEDHN CCN(C)c1ccc(C(C)=NNC[C@H]2CCSC2)cc1 ZINC000811661396 617686732 /nfs/dbraw/zinc/68/67/32/617686732.db2.gz KKAVRDMQLMWISD-CQSZACIVSA-N 0 3 291.464 3.209 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)CCC1 ZINC000933300014 618195973 /nfs/dbraw/zinc/19/59/73/618195973.db2.gz OPPFULVDTZWTOF-LBPRGKRZSA-N 0 3 290.794 3.203 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2Cl)CCC1 ZINC000933301392 618196600 /nfs/dbraw/zinc/19/66/00/618196600.db2.gz NRXPMNYQFMRHCK-GFCCVEGCSA-N 0 3 290.794 3.203 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cnc(-c2ccccc2)nc1 ZINC000934461154 618624883 /nfs/dbraw/zinc/62/48/83/618624883.db2.gz VZPPEHDBZHAWBS-MRXNPFEDSA-N 0 3 265.360 3.294 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934558195 618645685 /nfs/dbraw/zinc/64/56/85/618645685.db2.gz ANWVZNVXUVECRG-OLZOCXBDSA-N 0 3 260.385 3.026 20 30 CGEDHN COCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000177852377 618846213 /nfs/dbraw/zinc/84/62/13/618846213.db2.gz HZHPSLGAHKVYGC-GFCCVEGCSA-N 0 3 298.342 3.211 20 30 CGEDHN C[C@H](NCC1SCCS1)c1ccc(C#N)c(F)c1 ZINC000850560345 618874390 /nfs/dbraw/zinc/87/43/90/618874390.db2.gz JYLIEHHVRGESPS-VIFPVBQESA-N 0 3 282.409 3.154 20 30 CGEDHN C#CCOCCN1CCC[C@@H]1c1ccccc1Cl ZINC000851731842 618921261 /nfs/dbraw/zinc/92/12/61/618921261.db2.gz ZLDPOYSRPWKOAD-OAHLLOKOSA-N 0 3 263.768 3.127 20 30 CGEDHN C=C(CC)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000313483004 619175680 /nfs/dbraw/zinc/17/56/80/619175680.db2.gz NLFNTAWCBDPAOI-UHFFFAOYSA-N 0 3 255.745 3.110 20 30 CGEDHN CC(C)(C)OC(=O)Nc1ccsc1CNCCCC#N ZINC000893513535 619200136 /nfs/dbraw/zinc/20/01/36/619200136.db2.gz FXWCHZHAVIMOSZ-UHFFFAOYSA-N 0 3 295.408 3.488 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2csc(C#N)c2)CC1 ZINC000894170242 619403111 /nfs/dbraw/zinc/40/31/11/619403111.db2.gz AVUJOHOWCWOXME-AWEZNQCLSA-N 0 3 264.394 3.011 20 30 CGEDHN C[C@@]1(CNCC#Cc2ccccc2)OCCc2sccc21 ZINC000894544460 619570279 /nfs/dbraw/zinc/57/02/79/619570279.db2.gz GIUKFEATPIPYTC-SFHVURJKSA-N 0 3 297.423 3.177 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894573591 619579529 /nfs/dbraw/zinc/57/95/29/619579529.db2.gz FIJUMNKNKCJKJU-VIFPVBQESA-N 0 3 264.781 3.403 20 30 CGEDHN N#CC1(CNC[C@H]2CCc3ccccc32)CCCC1 ZINC000895142893 619752576 /nfs/dbraw/zinc/75/25/76/619752576.db2.gz VONLJIMYXUYVBL-OAHLLOKOSA-N 0 3 254.377 3.390 20 30 CGEDHN C=CCC1(O)CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000895835616 619894759 /nfs/dbraw/zinc/89/47/59/619894759.db2.gz IXWDFKMWWVFHBH-ARJAWSKDSA-N 0 3 275.367 3.242 20 30 CGEDHN CN1CCc2cc(C=NOCc3ccccc3)ccc21 ZINC000752724099 620292391 /nfs/dbraw/zinc/29/23/91/620292391.db2.gz SJCBKWKXNCPUKJ-UHFFFAOYSA-N 0 3 266.344 3.230 20 30 CGEDHN CC[C@@H]1CCC[C@H](CNCc2nc(C#N)cs2)C1 ZINC000897628169 620414029 /nfs/dbraw/zinc/41/40/29/620414029.db2.gz DLDXKXPQBOYXIM-NEPJUHHUSA-N 0 3 263.410 3.321 20 30 CGEDHN C[C@H](CCc1ccsc1)NCc1nc(C#N)cs1 ZINC000897629208 620414429 /nfs/dbraw/zinc/41/44/29/620414429.db2.gz SMFGBQNIOIXUQK-SNVBAGLBSA-N 0 3 277.418 3.187 20 30 CGEDHN C=CCOc1cccc(CNCc2ccc(CCO)cc2)c1 ZINC000898172570 620485532 /nfs/dbraw/zinc/48/55/32/620485532.db2.gz PBGXLIBGQQYPIZ-UHFFFAOYSA-N 0 3 297.398 3.076 20 30 CGEDHN C=CCCC[N@@H+](CC)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000898244425 620496408 /nfs/dbraw/zinc/49/64/08/620496408.db2.gz JWFYUUSDLAITMW-UHFFFAOYSA-N 0 3 294.351 3.097 20 30 CGEDHN C=CCCC[N@H+](CC)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000898244425 620496412 /nfs/dbraw/zinc/49/64/12/620496412.db2.gz JWFYUUSDLAITMW-UHFFFAOYSA-N 0 3 294.351 3.097 20 30 CGEDHN C=CCCCN(CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000898244425 620496414 /nfs/dbraw/zinc/49/64/14/620496414.db2.gz JWFYUUSDLAITMW-UHFFFAOYSA-N 0 3 294.351 3.097 20 30 CGEDHN C#Cc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000898322794 620506405 /nfs/dbraw/zinc/50/64/05/620506405.db2.gz RJVNUAVJVBBVEO-SFHVURJKSA-N 0 3 262.356 3.304 20 30 CGEDHN CC(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cnn(C)c1 ZINC000927068643 620570043 /nfs/dbraw/zinc/57/00/43/620570043.db2.gz KHWSEOFHKBAXCU-ROUUACIJSA-N 0 3 294.402 3.266 20 30 CGEDHN CC(C)[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cnn(C)c1 ZINC000927070545 620570500 /nfs/dbraw/zinc/57/05/00/620570500.db2.gz OXAPEBUQZIRTGE-CXAGYDPISA-N 0 3 282.391 3.340 20 30 CGEDHN N#CCC[C@H](C#N)CNCCC1CCC(F)(F)CC1 ZINC000901685884 620987169 /nfs/dbraw/zinc/98/71/69/620987169.db2.gz RLISEUKFWLQREQ-CYBMUJFWSA-N 0 3 269.339 3.235 20 30 CGEDHN C=CCC[C@@H](NCc1snnc1C)[C@]1(C)CCCCO1 ZINC000902998978 621523563 /nfs/dbraw/zinc/52/35/63/621523563.db2.gz JSXYWXVXWDQVAL-CABCVRRESA-N 0 3 295.452 3.230 20 30 CGEDHN Cc1cc(C)c([C@H](C)NCC2(C#N)CCC2)c(O)c1 ZINC000903033665 621536718 /nfs/dbraw/zinc/53/67/18/621536718.db2.gz XDXFKLNABBWAEA-ZDUSSCGKSA-N 0 3 258.365 3.354 20 30 CGEDHN C[C@@H](C#N)OCCN[C@@H](C)c1cc2ccccc2o1 ZINC000801947914 621589817 /nfs/dbraw/zinc/58/98/17/621589817.db2.gz IHCKYAYBCIROCK-RYUDHWBXSA-N 0 3 258.321 3.012 20 30 CGEDHN N#CC1(CN[C@@H]2CCOC23CCCC3)CCCCC1 ZINC000903200219 621623691 /nfs/dbraw/zinc/62/36/91/621623691.db2.gz MOSXVBULYFZROU-CQSZACIVSA-N 0 3 262.397 3.152 20 30 CGEDHN CCCc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905084130 622033018 /nfs/dbraw/zinc/03/30/18/622033018.db2.gz HOWHXAUUXCVSCN-HOXUKUGESA-N 0 3 267.332 3.072 20 30 CGEDHN C=CCN(Cc1cc(OC)c(OCC)c(OC)c1)C(C)C ZINC000768551622 625541222 /nfs/dbraw/zinc/54/12/22/625541222.db2.gz RAMCKLCTMOEHOV-UHFFFAOYSA-N 0 3 293.407 3.499 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1SC ZINC000911943807 622570910 /nfs/dbraw/zinc/57/09/10/622570910.db2.gz QLULQLNKURXSMS-LLVKDONJSA-N 0 3 264.394 3.031 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC(C)(C)CC(C)(C)C ZINC000911942648 622570931 /nfs/dbraw/zinc/57/09/31/622570931.db2.gz FLTJTDFDYLOQJS-LBPRGKRZSA-N 0 3 254.418 3.001 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1OCCC ZINC000912030175 622587131 /nfs/dbraw/zinc/58/71/31/622587131.db2.gz WBDVULQBQQWSMN-CYBMUJFWSA-N 0 3 276.380 3.098 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000912195816 622616911 /nfs/dbraw/zinc/61/69/11/622616911.db2.gz QSZAFPNGNZBZSJ-IAQYHMDHSA-N 0 3 296.361 3.168 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)c1cccc(C)c1 ZINC000912245608 622624624 /nfs/dbraw/zinc/62/46/24/622624624.db2.gz ZSYDXLGRUAWAOK-HNNXBMFYSA-N 0 3 260.381 3.032 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000912368425 622644191 /nfs/dbraw/zinc/64/41/91/622644191.db2.gz PORRBAVIEWLMDW-SMDDNHRTSA-N 0 3 280.437 3.226 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000912396612 622647084 /nfs/dbraw/zinc/64/70/84/622647084.db2.gz QRYHHJNTEKKBCR-IAGOWNOFSA-N 0 3 286.419 3.342 20 30 CGEDHN CCCCCCCCCC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912922914 622710731 /nfs/dbraw/zinc/71/07/31/622710731.db2.gz XKZRMKDPLWRSFB-MRXNPFEDSA-N 0 3 280.456 3.434 20 30 CGEDHN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000046439487 622969755 /nfs/dbraw/zinc/96/97/55/622969755.db2.gz PRDZGBOTLRLORJ-ABZNLYFFSA-N 0 3 277.283 3.046 20 30 CGEDHN N#CC(C(=O)CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000046440637 622970011 /nfs/dbraw/zinc/97/00/11/622970011.db2.gz RFBZCHFFGYQMDV-CQSZACIVSA-N 0 3 289.338 3.372 20 30 CGEDHN CCOc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000061019090 623089557 /nfs/dbraw/zinc/08/95/57/623089557.db2.gz RVQQEOUWIAQQLR-UHFFFAOYSA-N 0 3 296.370 3.277 20 30 CGEDHN C#C[C@H](CC)NCc1c(OC)ccc2ccccc21 ZINC000229893898 623174807 /nfs/dbraw/zinc/17/48/07/623174807.db2.gz ZNEMCNNLCZYNQA-CQSZACIVSA-N 0 3 253.345 3.350 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCCCCC)CC1 ZINC000171695987 623183868 /nfs/dbraw/zinc/18/38/68/623183868.db2.gz CFMYIAJFMWGFMP-OAHLLOKOSA-N 0 3 295.471 3.295 20 30 CGEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000173969069 623349957 /nfs/dbraw/zinc/34/99/57/623349957.db2.gz WBZBUHHHDSVGIE-WFASDCNBSA-N 0 3 286.375 3.333 20 30 CGEDHN C[C@H]1CCCC[C@H]1OCCNCc1csc(C#N)c1 ZINC000921555669 625672894 /nfs/dbraw/zinc/67/28/94/625672894.db2.gz FTUCCGBQGOHWCB-SWLSCSKDSA-N 0 3 278.421 3.305 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993186356 623910136 /nfs/dbraw/zinc/91/01/36/623910136.db2.gz PJGDXMBCRRIDPD-ZIAGYGMSSA-N 0 3 292.467 3.214 20 30 CGEDHN Cc1[nH]ncc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000915956675 624079967 /nfs/dbraw/zinc/07/99/67/624079967.db2.gz YYPCAIIJENHGJO-UHFFFAOYSA-N 0 3 283.360 3.288 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994251576 624130134 /nfs/dbraw/zinc/13/01/34/624130134.db2.gz NAHVRPLKYGGWMB-VQHPVUNQSA-N 0 3 292.467 3.358 20 30 CGEDHN CC(CC12CC3CC(CC(C3)C1)C2)=Nn1cnnc1 ZINC000916581306 624184582 /nfs/dbraw/zinc/18/45/82/624184582.db2.gz YKIDLCDOQRGORK-UHFFFAOYSA-N 0 3 258.369 3.109 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC000994503138 624243266 /nfs/dbraw/zinc/24/32/66/624243266.db2.gz DTGVWRBSIZKHEM-VXGBXAGGSA-N 0 3 296.411 3.046 20 30 CGEDHN C=CCN(Cc1cncc(Br)c1)C(C)C ZINC000917168744 624249624 /nfs/dbraw/zinc/24/96/24/624249624.db2.gz ZQLJYFPMJRRMIH-UHFFFAOYSA-N 0 3 269.186 3.241 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2ccco2)c([O-])c1 ZINC000920944721 624555985 /nfs/dbraw/zinc/55/59/85/624555985.db2.gz IHKLCQOOIXAVCG-QGOAFFKASA-N 0 3 286.375 3.493 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001000732110 625880261 /nfs/dbraw/zinc/88/02/61/625880261.db2.gz XYPDTRANLDMGFL-KRWDZBQOSA-N 0 3 288.435 3.057 20 30 CGEDHN N#Cc1cc(CNCCSCC(F)(F)F)cs1 ZINC000921957103 625944002 /nfs/dbraw/zinc/94/40/02/625944002.db2.gz PCHHHHIKEGBJTN-UHFFFAOYSA-N 0 3 280.340 3.005 20 30 CGEDHN CCc1ccc([C@H](O)CNCc2csc(C#N)c2)cc1 ZINC000922121883 625970761 /nfs/dbraw/zinc/97/07/61/625970761.db2.gz JFKDSIVOPDAHTA-MRXNPFEDSA-N 0 3 286.400 3.005 20 30 CGEDHN Cc1nc(CNC(C)(C)Cc2ccc(C#N)cc2)cs1 ZINC000922598833 626018072 /nfs/dbraw/zinc/01/80/72/626018072.db2.gz AVJQDNUSLYELHZ-UHFFFAOYSA-N 0 3 285.416 3.434 20 30 CGEDHN CC(C)n1ccnc1CNC(C)(C)Cc1ccc(C#N)cc1 ZINC000922602637 626018980 /nfs/dbraw/zinc/01/89/80/626018980.db2.gz CEXPQRFLCVURBE-UHFFFAOYSA-N 0 3 296.418 3.447 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cc(C3CC3)n(C)n2)C1 ZINC000922955876 626108083 /nfs/dbraw/zinc/10/80/83/626108083.db2.gz PGRMLNKWIRXKMO-OCCSQVGLSA-N 0 3 259.397 3.132 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2occc2Cl)CC1 ZINC001005943369 626132992 /nfs/dbraw/zinc/13/29/92/626132992.db2.gz QSICOSFTPUJKDX-UHFFFAOYSA-N 0 3 296.798 3.046 20 30 CGEDHN CCC1(C)CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000839142490 626322843 /nfs/dbraw/zinc/32/28/43/626322843.db2.gz HPSGIBCCXKYLDK-CYBMUJFWSA-N 0 3 258.365 3.209 20 30 CGEDHN C=C(C)CN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839201296 626332063 /nfs/dbraw/zinc/33/20/63/626332063.db2.gz REYRZTWSTXSMNM-UHFFFAOYSA-N 0 3 266.772 3.154 20 30 CGEDHN N#CCc1ccc(CN[C@H](CCO)c2cccs2)cc1 ZINC000754391712 626570742 /nfs/dbraw/zinc/57/07/42/626570742.db2.gz ZTHFGMJTOFMZRC-OAHLLOKOSA-N 0 3 286.400 3.027 20 30 CGEDHN CCOC(=O)/C=C/CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000756094309 626676304 /nfs/dbraw/zinc/67/63/04/626676304.db2.gz RDCSTTULJFOIMJ-PSKZRQQASA-N 0 3 286.375 3.060 20 30 CGEDHN C#C[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000809685800 626767937 /nfs/dbraw/zinc/76/79/37/626767937.db2.gz SFEFZYZZKZDNSV-OAHLLOKOSA-N 0 3 274.364 3.466 20 30 CGEDHN C=CCN(Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000757924070 626814770 /nfs/dbraw/zinc/81/47/70/626814770.db2.gz VNLQYFPRJQQMCV-CYBMUJFWSA-N 0 3 256.349 3.128 20 30 CGEDHN Cc1cc(N=NC2C[C@@H](C)N(C)C2)ccc1Br ZINC000761810626 627061894 /nfs/dbraw/zinc/06/18/94/627061894.db2.gz BQUFBGMUZSOSFS-SNVBAGLBSA-N 0 3 296.212 3.249 20 30 CGEDHN C#CCN(Cc1ccc(-n2nc(C)cc2C)cc1)C1CC1 ZINC000763950854 627187132 /nfs/dbraw/zinc/18/71/32/627187132.db2.gz OZHLZKVGIXAVND-UHFFFAOYSA-N 0 3 279.387 3.087 20 30 CGEDHN CC(C)Oc1ccccc1C=NOCCN1CCCCC1 ZINC000766684792 627352540 /nfs/dbraw/zinc/35/25/40/627352540.db2.gz PDHKMWUWVNSKGY-UHFFFAOYSA-N 0 3 290.407 3.310 20 30 CGEDHN C#CCCCN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000766902557 627369629 /nfs/dbraw/zinc/36/96/29/627369629.db2.gz KOTKXOFNAYKMKL-OAHLLOKOSA-N 0 3 290.838 3.432 20 30 CGEDHN C=C(Br)CN[C@@H](C)CSC(C)(C)C ZINC000125085859 634571859 /nfs/dbraw/zinc/57/18/59/634571859.db2.gz YUVQDOUKAMROTG-VIFPVBQESA-N 0 3 266.248 3.405 20 30 CGEDHN Cc1cncc([C@H](C)NCc2ccc(C#N)cc2)c1 ZINC000768200667 627467887 /nfs/dbraw/zinc/46/78/87/627467887.db2.gz PYRLYGNIUIVOID-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN C=CCN(Cc1cnc(-c2ccccc2)[nH]1)C(C)C ZINC000768547988 627485928 /nfs/dbraw/zinc/48/59/28/627485928.db2.gz UVMNBMGUGMASRR-UHFFFAOYSA-N 0 3 255.365 3.473 20 30 CGEDHN C#CC[C@H](N[C@H](C)c1ccncc1)c1ccccc1 ZINC000773117749 627858647 /nfs/dbraw/zinc/85/86/47/627858647.db2.gz WALIFVHBLZNROY-PBHICJAKSA-N 0 3 250.345 3.497 20 30 CGEDHN C=C(CC)CN1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000773425726 627882596 /nfs/dbraw/zinc/88/25/96/627882596.db2.gz BORSTEUKHKVCDH-CQSZACIVSA-N 0 3 282.428 3.332 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(Br)c(C)c1 ZINC000775182552 628069549 /nfs/dbraw/zinc/06/95/49/628069549.db2.gz CEUDRSYEKOLQKK-NSHDSACASA-N 0 3 266.182 3.211 20 30 CGEDHN C#C[C@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000775183531 628071074 /nfs/dbraw/zinc/07/10/74/628071074.db2.gz NURNMPLCDLLISG-HNNXBMFYSA-N 0 3 295.382 3.425 20 30 CGEDHN C#C[C@H](C)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000775183531 628071080 /nfs/dbraw/zinc/07/10/80/628071080.db2.gz NURNMPLCDLLISG-HNNXBMFYSA-N 0 3 295.382 3.425 20 30 CGEDHN C#CCCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000775442334 628095528 /nfs/dbraw/zinc/09/55/28/628095528.db2.gz GNIPNXIZYQJJKL-CYBMUJFWSA-N 0 3 271.282 3.006 20 30 CGEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc[nH]1 ZINC000776745135 628229517 /nfs/dbraw/zinc/22/95/17/628229517.db2.gz SIEGTHJQWICISE-GHMZBOCLSA-N 0 3 257.312 3.437 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000778232403 628336003 /nfs/dbraw/zinc/33/60/03/628336003.db2.gz UYZLJKILUYAFOK-CYBMUJFWSA-N 0 3 273.298 3.247 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](O)c1cccc(F)c1 ZINC000778996423 628382203 /nfs/dbraw/zinc/38/22/03/628382203.db2.gz OMFMAXXLDWYYOC-KRWDZBQOSA-N 0 3 289.350 3.183 20 30 CGEDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(C#N)c1 ZINC000779087117 628387902 /nfs/dbraw/zinc/38/79/02/628387902.db2.gz MNSISHORSYJVTB-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN[C@@H]1CCCOC1 ZINC000780257264 628472828 /nfs/dbraw/zinc/47/28/28/628472828.db2.gz HRVSHCXZGZGWHJ-RXPATQPPSA-N 0 3 299.418 3.052 20 30 CGEDHN Cc1ccc2c(CN3CCC(CC#N)CC3)cc(=O)oc2c1 ZINC000782089139 628615343 /nfs/dbraw/zinc/61/53/43/628615343.db2.gz QGWKPGDBHUQMHY-UHFFFAOYSA-N 0 3 296.370 3.227 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(OCOCC)cc1 ZINC000783377994 628705897 /nfs/dbraw/zinc/70/58/97/628705897.db2.gz JLYRNOQNCXTKCN-UHFFFAOYSA-N 0 3 261.365 3.233 20 30 CGEDHN C#CCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784482306 628815561 /nfs/dbraw/zinc/81/55/61/628815561.db2.gz HHFSJKAVJHFXJI-GFCCVEGCSA-N 0 3 253.267 3.128 20 30 CGEDHN C#C[C@@H](CC)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805918068 629195052 /nfs/dbraw/zinc/19/50/52/629195052.db2.gz HXCJYIQWKOXLKB-KRWDZBQOSA-N 0 3 299.414 3.244 20 30 CGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccsc2)CC1 ZINC000790318176 629204877 /nfs/dbraw/zinc/20/48/77/629204877.db2.gz ARZJYNLPWUNVKO-UHFFFAOYSA-N 0 3 295.477 3.075 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCSC2)c([O-])c1 ZINC000790598493 629219508 /nfs/dbraw/zinc/21/95/08/629219508.db2.gz NKMAMDIPDNKUSU-VVBXCHJUSA-N 0 3 292.448 3.410 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(Cl)c(OCC=C)c(OC)c1 ZINC000862363567 629353088 /nfs/dbraw/zinc/35/30/88/629353088.db2.gz QVSZQMAFTMVEDI-ZDUSSCGKSA-N 0 3 293.794 3.415 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccccc2OC(F)F)C1 ZINC000862443627 629376302 /nfs/dbraw/zinc/37/63/02/629376302.db2.gz RHBVGNDAZBWBRN-GFCCVEGCSA-N 0 3 265.303 3.133 20 30 CGEDHN Cc1cc(N=NC(c2ccccc2C)C2CC2)ccn1 ZINC000863158856 629484539 /nfs/dbraw/zinc/48/45/39/629484539.db2.gz UUZRVGGNGWQDFB-UHFFFAOYSA-N 0 3 265.360 3.347 20 30 CGEDHN Cc1cc(NN=C(c2ccccc2C)C2CC2)ccn1 ZINC000863158856 629484540 /nfs/dbraw/zinc/48/45/40/629484540.db2.gz UUZRVGGNGWQDFB-UHFFFAOYSA-N 0 3 265.360 3.347 20 30 CGEDHN CC[NH+](CC)[C@H](C)C/N=C\c1cc(Cl)ccc1[O-] ZINC000794832748 629584402 /nfs/dbraw/zinc/58/44/02/629584402.db2.gz KORKAPCBWRZEIG-FFCYNSPCSA-N 0 3 268.788 3.195 20 30 CGEDHN N#CCCCCNCc1c(Cl)cncc1Cl ZINC000865449056 630129099 /nfs/dbraw/zinc/12/90/99/630129099.db2.gz SHTFYKXETWAPBC-UHFFFAOYSA-N 0 3 258.152 3.172 20 30 CGEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000865699484 630396274 /nfs/dbraw/zinc/39/62/74/630396274.db2.gz SWUTXYMMKFJMOJ-DLBZAZTESA-N 0 3 289.398 3.407 20 30 CGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H](C)C(C)(C)C)c1 ZINC000802638102 630400310 /nfs/dbraw/zinc/40/03/10/630400310.db2.gz LFUDFWVCNPCMSY-AWEZNQCLSA-N 0 3 286.419 3.220 20 30 CGEDHN C#CCSCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808707258 630667668 /nfs/dbraw/zinc/66/76/68/630667668.db2.gz JMKXKMAAVUUTFF-LLVKDONJSA-N 0 3 283.824 3.371 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2ccncc2CC)cc1 ZINC000809631072 630768076 /nfs/dbraw/zinc/76/80/76/630768076.db2.gz QQMMRRGOYBNXQK-AWEZNQCLSA-N 0 3 264.372 3.476 20 30 CGEDHN N#Cc1ccc(CNC2CC(c3cc(F)cc(F)c3)C2)nc1 ZINC000809648992 630773477 /nfs/dbraw/zinc/77/34/77/630773477.db2.gz QNAJQALKCSOFSG-UHFFFAOYSA-N 0 3 299.324 3.267 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(OCCCC)c(OCC)c1 ZINC000809683829 630778775 /nfs/dbraw/zinc/77/87/75/630778775.db2.gz QXFPCHWOLAIPEJ-CQSZACIVSA-N 0 3 275.392 3.376 20 30 CGEDHN C#C[C@@H](NCc1cnc(Cl)c(C)c1)C(C)(C)C ZINC000809781037 630805525 /nfs/dbraw/zinc/80/55/25/630805525.db2.gz FNJXHFITAPJQAE-GFCCVEGCSA-N 0 3 250.773 3.181 20 30 CGEDHN C#C[C@@H](NCc1cn(C)nc1-c1cccs1)C(C)(C)C ZINC000809782333 630807116 /nfs/dbraw/zinc/80/71/16/630807116.db2.gz PHHFAWDLVZCAIJ-CQSZACIVSA-N 0 3 287.432 3.286 20 30 CGEDHN C[C@@H](CNCc1nc(C#N)cs1)c1cccc(F)c1 ZINC000810140111 630843964 /nfs/dbraw/zinc/84/39/64/630843964.db2.gz PTBAHZXNBHOELU-JTQLQIEISA-N 0 3 275.352 3.047 20 30 CGEDHN C[C@@H](O)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810212965 630854873 /nfs/dbraw/zinc/85/48/73/630854873.db2.gz IOZYLWUIQOKLSR-BFUOFWGJSA-N 0 3 292.382 3.389 20 30 CGEDHN C#C[C@@H](C)NC/C(C)=C/c1ccccc1OC(F)F ZINC000811505119 631076848 /nfs/dbraw/zinc/07/68/48/631076848.db2.gz FJPKPLMQXDHUSA-LMMOQWNQSA-N 0 3 265.303 3.303 20 30 CGEDHN C#C[C@H](N[C@@H](C)CC1CCOCC1)c1ccc(F)cc1 ZINC000812793429 631312362 /nfs/dbraw/zinc/31/23/62/631312362.db2.gz TVLWTYNSCZJZEF-GUYCJALGSA-N 0 3 275.367 3.295 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCCC)c1ccccc1 ZINC000876554041 634855991 /nfs/dbraw/zinc/85/59/91/634855991.db2.gz ZTYVSYMPDPTFIW-CQSZACIVSA-N 0 3 280.799 3.290 20 30 CGEDHN C[C@@H]1C[C@H](c2ccccc2F)N(CCOCCC#N)C1 ZINC000815054504 631707447 /nfs/dbraw/zinc/70/74/47/631707447.db2.gz LEOAYCUBCKMAON-CZUORRHYSA-N 0 3 276.355 3.139 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H](C)F ZINC000815149609 631731104 /nfs/dbraw/zinc/73/11/04/631731104.db2.gz SOTNUHIZIRRQGO-LLVKDONJSA-N 0 3 269.747 3.190 20 30 CGEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1ccc2ccccc2c1 ZINC000818100386 632287869 /nfs/dbraw/zinc/28/78/69/632287869.db2.gz DJTIDWLEARCIED-KRWDZBQOSA-N 0 3 295.386 3.214 20 30 CGEDHN C[C@@H](C#N)OCCN1CCCC[C@H]1Cc1ccccc1F ZINC000844413134 635893798 /nfs/dbraw/zinc/89/37/98/635893798.db2.gz FQBGSRYTCUYGRN-HOCLYGCPSA-N 0 3 290.382 3.151 20 30 CGEDHN Cc1c2cccc(C)c2oc1CN(C)CCO[C@H](C)C#N ZINC000844420937 635896397 /nfs/dbraw/zinc/89/63/97/635896397.db2.gz PGKXTLOAEHDJBN-CYBMUJFWSA-N 0 3 286.375 3.410 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@H]2OC)c([O-])c1 ZINC000121047291 633129148 /nfs/dbraw/zinc/12/91/48/633129148.db2.gz UXKDCAROMVVUQC-LUHQZAGKSA-N 0 3 290.407 3.225 20 30 CGEDHN C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccccc1[O-] ZINC000866617932 633217193 /nfs/dbraw/zinc/21/71/93/633217193.db2.gz RKSUGYUTPWPYRR-MLGOLLRUSA-N 0 3 278.355 3.082 20 30 CGEDHN C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cc(F)ccc1[O-] ZINC000866618247 633217648 /nfs/dbraw/zinc/21/76/48/633217648.db2.gz XUCMQXCOFVMGSQ-MEDUHNTESA-N 0 3 296.345 3.221 20 30 CGEDHN CCCC[C@H](CC)CCN1CCC(C#N)(C(=O)OC)CC1 ZINC000824871426 633302225 /nfs/dbraw/zinc/30/22/25/633302225.db2.gz GIIJJHLVDCRTOE-HNNXBMFYSA-N 0 3 294.439 3.372 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCC)cc1C ZINC000876607299 634866243 /nfs/dbraw/zinc/86/62/43/634866243.db2.gz SASGRESNKHPXHW-CYBMUJFWSA-N 0 3 296.798 3.192 20 30 CGEDHN C#CCCN(CCOC)Cc1cc2cc(F)ccc2o1 ZINC000827823425 633522965 /nfs/dbraw/zinc/52/29/65/633522965.db2.gz OSZPJCCNZPWGIJ-UHFFFAOYSA-N 0 3 275.323 3.044 20 30 CGEDHN C=CC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827920478 633534224 /nfs/dbraw/zinc/53/42/24/633534224.db2.gz ZYIHOKWSRSNQCY-MRXNPFEDSA-N 0 3 292.423 3.038 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(C(C)(C)O)cc2)c1 ZINC000830715213 633880787 /nfs/dbraw/zinc/88/07/87/633880787.db2.gz XTELMQLPKXRFTP-UHFFFAOYSA-N 0 3 279.383 3.185 20 30 CGEDHN C#CCCCCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000871832424 633880992 /nfs/dbraw/zinc/88/09/92/633880992.db2.gz WHNVBXJMNWWBHC-SFHVURJKSA-N 0 3 299.393 3.432 20 30 CGEDHN CC(C)CO[C@H]1C[C@@H](NCC2(C#N)CCC2)C1(C)C ZINC000831275639 633936262 /nfs/dbraw/zinc/93/62/62/633936262.db2.gz ANGZKEVEFIUNGN-KGLIPLIRSA-N 0 3 264.413 3.110 20 30 CGEDHN C=CCC[C@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000834902530 634278976 /nfs/dbraw/zinc/27/89/76/634278976.db2.gz CKCOIIYJJXSUJN-UKRRQHHQSA-N 0 3 263.381 3.068 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000835040638 634329192 /nfs/dbraw/zinc/32/91/92/634329192.db2.gz QZWYYBVOVBPNFK-MDZLAQPJSA-N 0 3 298.367 3.064 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000876657465 634877043 /nfs/dbraw/zinc/87/70/43/634877043.db2.gz OKYZIIXKUWVEBW-GJZGRUSLSA-N 0 3 294.826 3.312 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000876690584 634882316 /nfs/dbraw/zinc/88/23/16/634882316.db2.gz NSLUGQDUCDNYCH-CQSZACIVSA-N 0 3 298.858 3.419 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000876886429 634920898 /nfs/dbraw/zinc/92/08/98/634920898.db2.gz VPJAZGWYDSZDJB-RISCZKNCSA-N 0 3 292.810 3.387 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000876907116 634926379 /nfs/dbraw/zinc/92/63/79/634926379.db2.gz BONGPJCZNNFJPT-JSGCOSHPSA-N 0 3 298.858 3.275 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000876937657 634932090 /nfs/dbraw/zinc/93/20/90/634932090.db2.gz YXZFNPMODSWSRF-MCIONIFRSA-N 0 3 298.858 3.131 20 30 CGEDHN C=CCCCCCNCc1cc(OC)cnc1F ZINC000877618374 635115964 /nfs/dbraw/zinc/11/59/64/635115964.db2.gz QZDANRKIEIAMPD-UHFFFAOYSA-N 0 3 252.333 3.065 20 30 CGEDHN CC[C@@H](C)CCNCc1cc(C#N)cnc1Cl ZINC000877624083 635117950 /nfs/dbraw/zinc/11/79/50/635117950.db2.gz JAMFJQXVLSAHRF-SNVBAGLBSA-N 0 3 251.761 3.132 20 30 CGEDHN Clc1cccc([C@H]2CCC(=Nn3cnnc3)C2)c1 ZINC000841603612 635195222 /nfs/dbraw/zinc/19/52/22/635195222.db2.gz KPNNDZGRYOUOIP-NSHDSACASA-N 0 3 260.728 3.103 20 30 CGEDHN C=CC[C@H](C)N(CCC)CC(=O)Nc1ccccc1OC ZINC000877906196 635262416 /nfs/dbraw/zinc/26/24/16/635262416.db2.gz ZXVVLYRMGLMYMO-AWEZNQCLSA-N 0 3 290.407 3.310 20 30 CGEDHN C=CC[C@H](C)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000878560018 635556294 /nfs/dbraw/zinc/55/62/94/635556294.db2.gz CNJGOPINOJZAOQ-LSDHHAIUSA-N 0 3 274.408 3.102 20 30 CGEDHN Cc1ccccc1[C@@H](O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000878606335 635568389 /nfs/dbraw/zinc/56/83/89/635568389.db2.gz ODQAHWFCZLKIIX-SFHVURJKSA-N 0 3 298.430 3.434 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CCC12CCCC2)c1ccccc1 ZINC000878802184 635632183 /nfs/dbraw/zinc/63/21/83/635632183.db2.gz XILFEMUIYDDFHV-IBGZPJMESA-N 0 3 296.414 3.446 20 30 CGEDHN C#CCCCCCN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000878965287 635668330 /nfs/dbraw/zinc/66/83/30/635668330.db2.gz MELVHLZOZKBBLE-HNNXBMFYSA-N 0 3 288.439 3.239 20 30 CGEDHN C#CC1CCN(Cc2cccc(OC)c2OC(C)C)CC1 ZINC000843428589 635673567 /nfs/dbraw/zinc/67/35/67/635673567.db2.gz KPBQXZFVHCKFNO-UHFFFAOYSA-N 0 3 287.403 3.328 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373512 635883713 /nfs/dbraw/zinc/88/37/13/635883713.db2.gz JCXJANQJJBKPKS-CZUORRHYSA-N 0 3 292.810 3.316 20 30 CGEDHN C[C@H](c1ccccc1)N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000880251054 635956751 /nfs/dbraw/zinc/95/67/51/635956751.db2.gz POTUESWXFNEDEM-JFIYKMOQSA-N 0 3 283.419 3.057 20 30 CGEDHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128724314 636067639 /nfs/dbraw/zinc/06/76/39/636067639.db2.gz DMJVWYYBRVFBHI-AWEZNQCLSA-N 0 3 296.326 3.112 20 30 CGEDHN C=C(Cl)CNC1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845950886 636122881 /nfs/dbraw/zinc/12/28/81/636122881.db2.gz GDBQHWDVFQUKSK-UHFFFAOYSA-N 0 3 288.819 3.022 20 30 CGEDHN C[C@@H](NCC1(Br)CC1)c1ccc(C#N)cc1 ZINC000846846351 636258301 /nfs/dbraw/zinc/25/83/01/636258301.db2.gz UVKSBWVAURNSAM-SNVBAGLBSA-N 0 3 279.181 3.136 20 30 CGEDHN Fc1cccc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848402809 636567276 /nfs/dbraw/zinc/56/72/76/636567276.db2.gz IAESXRLLCZRMDM-OAHLLOKOSA-N 0 3 261.344 3.242 20 30 CGEDHN C=CCC[C@H](NCc1ncc(CC)s1)[C@@H]1CCCO1 ZINC000883192539 636575513 /nfs/dbraw/zinc/57/55/13/636575513.db2.gz BMYWZQQLXYOSKA-KBPBESRZSA-N 0 3 280.437 3.309 20 30 CGEDHN C=CCC[C@H](NCc1c(C)onc1CC)[C@@H]1CCCO1 ZINC000883224050 636597034 /nfs/dbraw/zinc/59/70/34/636597034.db2.gz DLWINBWGKSPOLD-HOTGVXAUSA-N 0 3 278.396 3.149 20 30 CGEDHN C#CCOc1ccccc1CNC[C@H]1CCC2(CCCC2)O1 ZINC000848576991 636613997 /nfs/dbraw/zinc/61/39/97/636613997.db2.gz ZWECLPOUQZHXNI-QGZVFWFLSA-N 0 3 299.414 3.280 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000883401506 636742805 /nfs/dbraw/zinc/74/28/05/636742805.db2.gz OHJXMBGHYYIUAY-HNNXBMFYSA-N 0 3 271.360 3.363 20 30 CGEDHN C=CCC1([NH2+]Cc2ccc(OCC)cc2[O-])CCOCC1 ZINC000850368473 637032194 /nfs/dbraw/zinc/03/21/94/637032194.db2.gz NJYUXKIUWVQULE-UHFFFAOYSA-N 0 3 291.391 3.006 20 30 CGEDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(C#N)cc2)c([O-])c1 ZINC000850488441 637087946 /nfs/dbraw/zinc/08/79/46/637087946.db2.gz MWBKYNBOEBSGDF-CQSZACIVSA-N 0 3 280.371 3.466 20 30 CGEDHN C=CCNCc1c(C)nn(-c2ccccc2C)c1C ZINC000885893984 637307621 /nfs/dbraw/zinc/30/76/21/637307621.db2.gz BJUHXXLLSDSFHS-UHFFFAOYSA-N 0 3 255.365 3.073 20 30 CGEDHN N#CCC1(CNCc2ccccc2OCC(F)F)CC1 ZINC000886102364 637414240 /nfs/dbraw/zinc/41/42/40/637414240.db2.gz FVFQXJARALHANH-UHFFFAOYSA-N 0 3 280.318 3.114 20 30 CGEDHN C#CCC1(NCc2ccc([C@H]3C[C@H]3C)o2)CCOCC1 ZINC000886381528 637521210 /nfs/dbraw/zinc/52/12/10/637521210.db2.gz HGVGQSLXMWVIRL-HIFRSBDPSA-N 0 3 273.376 3.065 20 30 CGEDHN Cc1ccc(CN(C)[C@H](CO)c2ccccc2C)cc1C#N ZINC000886444555 637533025 /nfs/dbraw/zinc/53/30/25/637533025.db2.gz BNQHRRJAPWSVNY-LJQANCHMSA-N 0 3 294.398 3.341 20 30 CGEDHN C=CCC1(O)CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000886760029 637679202 /nfs/dbraw/zinc/67/92/02/637679202.db2.gz WJLILOHJJOIMOH-ZDUSSCGKSA-N 0 3 263.356 3.290 20 30 CGEDHN C=CCC1(O)CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000886766125 637680364 /nfs/dbraw/zinc/68/03/64/637680364.db2.gz CNXDYAXEWIDXRR-INIZCTEOSA-N 0 3 275.367 3.216 20 30 CGEDHN C=CCC1(O)CCN(Cc2cnc3ccc(C)cc3c2)CC1 ZINC000886778452 637686168 /nfs/dbraw/zinc/68/61/68/637686168.db2.gz AVHUHPHRIOCMGJ-UHFFFAOYSA-N 0 3 296.414 3.446 20 30 CGEDHN CCN1CC[C@@H]1C/N=C\c1c(O)ccc2ccccc21 ZINC000887270168 637786769 /nfs/dbraw/zinc/78/67/69/637786769.db2.gz IUQPVTRBONQRNG-IIMQCXAKSA-N 0 3 268.360 3.059 20 30 CGEDHN CCN1CC[C@H]1C/N=C\c1c(O)ccc2ccccc21 ZINC000887270167 637786879 /nfs/dbraw/zinc/78/68/79/637786879.db2.gz IUQPVTRBONQRNG-HIXWQLQUSA-N 0 3 268.360 3.059 20 30 CGEDHN CCN(CC)c1ccc(C=NN2CCCC[C@H]2C)c(O)c1 ZINC000853378914 637827673 /nfs/dbraw/zinc/82/76/73/637827673.db2.gz KSMLTXHUPRBNKD-CQSZACIVSA-N 0 3 289.423 3.447 20 30 CGEDHN C=CCC(C)(C)c1noc(C[C@@H]2NCc3ccccc32)n1 ZINC000854158982 637999033 /nfs/dbraw/zinc/99/90/33/637999033.db2.gz LZAXSUJWHOLDPF-AWEZNQCLSA-N 0 3 283.375 3.310 20 30 CGEDHN CCCCCCN(C)CC(=O)NCC1(C#N)CCCCC1 ZINC000855957690 638283264 /nfs/dbraw/zinc/28/32/64/638283264.db2.gz XZPTUIMCEDTPEB-UHFFFAOYSA-N 0 3 293.455 3.089 20 30 CGEDHN COc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1F ZINC000924605200 638372953 /nfs/dbraw/zinc/37/29/53/638372953.db2.gz BLQIGRYQEVNMDD-LLVKDONJSA-N 0 3 264.344 3.252 20 30 CGEDHN C=CCSCCN[C@@H](CC)c1cccc(OC)n1 ZINC000925353866 638496321 /nfs/dbraw/zinc/49/63/21/638496321.db2.gz YUCRVFTWYHPHLD-LBPRGKRZSA-N 0 3 266.410 3.050 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000925530625 638520379 /nfs/dbraw/zinc/52/03/79/638520379.db2.gz FZHUVULJZYWJGG-CQSZACIVSA-N 0 3 280.799 3.295 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1cccc2c1OCCCO2 ZINC000925571673 638533557 /nfs/dbraw/zinc/53/35/57/638533557.db2.gz FWQUBLHVWJHMGI-CYBMUJFWSA-N 0 3 288.391 3.266 20 30 CGEDHN COc1cc(F)cc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000925681613 638567119 /nfs/dbraw/zinc/56/71/19/638567119.db2.gz WGUSGUYHCNGUIE-LLVKDONJSA-N 0 3 264.344 3.252 20 30 CGEDHN CC1(C)CCC(C)(NCc2nc(C#N)cs2)CC1 ZINC000858276350 638670422 /nfs/dbraw/zinc/67/04/22/638670422.db2.gz NQYMYBCOYGYHRS-UHFFFAOYSA-N 0 3 263.410 3.463 20 30 CGEDHN C=CCC1(CN[C@H](C)c2cc(OC)no2)CCCC1 ZINC000926542654 638783302 /nfs/dbraw/zinc/78/33/02/638783302.db2.gz UIKSOWTWYQBSJY-GFCCVEGCSA-N 0 3 264.369 3.470 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1cccc2c1OCO2 ZINC000926566672 638786099 /nfs/dbraw/zinc/78/60/99/638786099.db2.gz BDOVDYUPQAAGKX-NSHDSACASA-N 0 3 260.337 3.006 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926616508 638791497 /nfs/dbraw/zinc/79/14/97/638791497.db2.gz SBYRCDFTVLJMAS-MISXGVKJSA-N 0 3 275.783 3.394 20 30 CGEDHN C=CCCC(C)(C)CN[C@@H](C)c1cc(OC)no1 ZINC000926781619 638811000 /nfs/dbraw/zinc/81/10/00/638811000.db2.gz SXOXOECLSLUTHW-NSHDSACASA-N 0 3 252.358 3.326 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H]1CCCc2c(Cl)ccnc21 ZINC000926866554 638819267 /nfs/dbraw/zinc/81/92/67/638819267.db2.gz XYQGYGPLLOXMKC-FZMZJTMJSA-N 0 3 280.799 3.029 20 30 CGEDHN C=CCCCC[C@H](C)NCc1nc2c(s1)COCC2 ZINC000927117213 638844632 /nfs/dbraw/zinc/84/46/32/638844632.db2.gz KOWOVLDSBKRMJI-LBPRGKRZSA-N 0 3 280.437 3.440 20 30 CGEDHN C#Cc1ccc(NC(=O)CCN(C)[C@H](C)c2ccco2)cc1 ZINC000929370342 638922032 /nfs/dbraw/zinc/92/20/32/638922032.db2.gz PPHXMSFIEFNJET-CQSZACIVSA-N 0 3 296.370 3.283 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)[C@@H](C)[C@H](C)O1 ZINC000930251007 638985911 /nfs/dbraw/zinc/98/59/11/638985911.db2.gz HYCQMDQDJHOYIY-ILXRZTDVSA-N 0 3 264.413 3.348 20 30 CGEDHN N#CCCC[C@@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000930569048 639028500 /nfs/dbraw/zinc/02/85/00/639028500.db2.gz LODVERDZXQBVQF-GOSISDBHSA-N 0 3 290.370 3.478 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H](CCO)CC2)c1 ZINC000930755123 639064523 /nfs/dbraw/zinc/06/45/23/639064523.db2.gz WXMCURCVTGZHKF-CYBMUJFWSA-N 0 3 292.810 3.196 20 30 CGEDHN C[C@H]1CN(Cc2cncc(C#N)c2)CCc2ccccc21 ZINC000930856191 639077444 /nfs/dbraw/zinc/07/74/44/639077444.db2.gz DFLNGSJRHYFHGV-AWEZNQCLSA-N 0 3 277.371 3.115 20 30 CGEDHN C[C@H]1CN(CC2CCC(C#N)CC2)C[C@](C)(C(F)F)O1 ZINC000931079380 639108276 /nfs/dbraw/zinc/10/82/76/639108276.db2.gz JPRVNVQWBBKZSK-LFUGVXIPSA-N 0 3 286.366 3.061 20 30 CGEDHN C/C=C\C[C@@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000931337447 639137748 /nfs/dbraw/zinc/13/77/48/639137748.db2.gz JXZQLKFFKJFEQB-PYLYLYNFSA-N 0 3 255.365 3.131 20 30 CGEDHN N#CCC1(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931911363 639227222 /nfs/dbraw/zinc/22/72/22/639227222.db2.gz MHYXDRXZVCOJDH-NSHDSACASA-N 0 3 276.277 3.047 20 30 CGEDHN C=CCOCCN[C@@H](CC)c1cc(F)ccc1OC ZINC000932469327 639339600 /nfs/dbraw/zinc/33/96/00/639339600.db2.gz OTEZMLNISYIHOM-AWEZNQCLSA-N 0 3 267.344 3.078 20 30 CGEDHN C=CCCCN1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932655105 639372244 /nfs/dbraw/zinc/37/22/44/639372244.db2.gz ZUFJEARHVOTDGD-UHFFFAOYSA-N 0 3 293.329 3.160 20 30 CGEDHN C#CCC1(NCC(=O)Nc2c(C)cccc2Cl)CCC1 ZINC000933298520 639437039 /nfs/dbraw/zinc/43/70/39/639437039.db2.gz GXBBBROIQDLIJL-UHFFFAOYSA-N 0 3 290.794 3.123 20 30 CGEDHN C=CC[C@@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000860899478 639458452 /nfs/dbraw/zinc/45/84/52/639458452.db2.gz YGXCMBCDWXQXHS-OAHLLOKOSA-N 0 3 287.403 3.406 20 30 CGEDHN C=CC[C@@H](C)OC(=O)C(C)(C)N(C)C1CCCC1 ZINC000860901693 639460333 /nfs/dbraw/zinc/46/03/33/639460333.db2.gz SSBDZNUGDRAHMG-GFCCVEGCSA-N 0 3 253.386 3.147 20 30 CGEDHN Cc1nocc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607500 639468239 /nfs/dbraw/zinc/46/82/39/639468239.db2.gz QWSCWFWQBQGOPC-UHFFFAOYSA-N 0 3 281.359 3.234 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCOC23CCCC3)c(Cl)c1 ZINC000934383392 639598419 /nfs/dbraw/zinc/59/84/19/639598419.db2.gz YBQXWXRXDMBPFR-HNNXBMFYSA-N 0 3 290.794 3.403 20 30 CGEDHN C[C@]1(C2CC2)COCCN1CCCCC1(C#N)CCC1 ZINC000934475091 639616512 /nfs/dbraw/zinc/61/65/12/639616512.db2.gz JLUBSSOKZQIXOM-MRXNPFEDSA-N 0 3 276.424 3.351 20 30 CGEDHN C=CCCCN(CC)CCCS(=O)(=O)c1ccccc1 ZINC000934644349 639648276 /nfs/dbraw/zinc/64/82/76/639648276.db2.gz AJWLJFFWNRJGDF-UHFFFAOYSA-N 0 3 295.448 3.139 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H](c1ccncc1)C1CC1 ZINC000934699053 639660934 /nfs/dbraw/zinc/66/09/34/639660934.db2.gz SHFFLVRFPXNYHM-GOSISDBHSA-N 0 3 262.356 3.174 20 30 CGEDHN C=C(C)c1cccc(NC(=O)N(CC)[C@@H]2CCN(C)C2)c1 ZINC000934886561 639704052 /nfs/dbraw/zinc/70/40/52/639704052.db2.gz DNZWFDMCQWTRFQ-MRXNPFEDSA-N 0 3 287.407 3.278 20 30 CGEDHN C#Cc1ccc(NC(=O)N2CCN(C(C)(C)CC)CC2)cc1 ZINC000934922677 639713684 /nfs/dbraw/zinc/71/36/84/639713684.db2.gz MHDVAXDSVKIHJM-UHFFFAOYSA-N 0 3 299.418 3.006 20 30 CGEDHN C#CCCOc1ccc(CN2CCC(OCC)CC2)cc1 ZINC000091678272 640717629 /nfs/dbraw/zinc/71/76/29/640717629.db2.gz VLAKVPFTIKQEOF-UHFFFAOYSA-N 0 3 287.403 3.090 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001007046729 640939279 /nfs/dbraw/zinc/93/92/79/640939279.db2.gz WTQPXDZUVCRFAC-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001008274958 640949673 /nfs/dbraw/zinc/94/96/73/640949673.db2.gz IOIHDVCEWKVMCP-CQSZACIVSA-N 0 3 290.407 3.173 20 30 CGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015788939 640986436 /nfs/dbraw/zinc/98/64/36/640986436.db2.gz TYHKZGRRTXKBLV-GFCCVEGCSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016174687 640992931 /nfs/dbraw/zinc/99/29/31/640992931.db2.gz RINYRRAQSSNCIR-OAHLLOKOSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016433029 640999603 /nfs/dbraw/zinc/99/96/03/640999603.db2.gz NQFICQZFOULOPO-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@@H]1C ZINC001017576826 641013356 /nfs/dbraw/zinc/01/33/56/641013356.db2.gz DUQHFZLZFAAMEG-LUKYLMHMSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001017828400 641017632 /nfs/dbraw/zinc/01/76/32/641017632.db2.gz VBXFYKVMOLSMTF-XHSDSOJGSA-N 0 3 290.451 3.064 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCCC(C)C ZINC001155895458 805623395 /nfs/dbraw/zinc/62/33/95/805623395.db2.gz GLFLZEDUTZZWFX-MRXNPFEDSA-N 0 3 280.456 3.053 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C)s1 ZINC001157458861 805816313 /nfs/dbraw/zinc/81/63/13/805816313.db2.gz MJVFXTFLVHMZLZ-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CCCC1 ZINC001158744485 805995159 /nfs/dbraw/zinc/99/51/59/805995159.db2.gz LHVMEABNWRRHKT-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252134937 806020718 /nfs/dbraw/zinc/02/07/18/806020718.db2.gz UMKCWLQNNOXMAZ-INIZCTEOSA-N 0 3 295.423 3.299 20 30 CGEDHN C=C[C@](C)(O)CN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001252556287 806064881 /nfs/dbraw/zinc/06/48/81/806064881.db2.gz GBGDFDJUMJLIJV-CABCVRRESA-N 0 3 267.319 3.039 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1)c1ccc(O)cc1 ZINC001252620259 806091891 /nfs/dbraw/zinc/09/18/91/806091891.db2.gz SJNPIBNBJHPXOO-RBUKOAKNSA-N 0 3 297.398 3.398 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](c1cccnc1Cl)C1CC1 ZINC001252623648 806094256 /nfs/dbraw/zinc/09/42/56/806094256.db2.gz OAPSPRXRBUXGTB-TZMCWYRMSA-N 0 3 280.799 3.103 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cc(C)ccn1 ZINC001253227303 806184743 /nfs/dbraw/zinc/18/47/43/806184743.db2.gz GGCYCTDMFQGFDF-KRWDZBQOSA-N 0 3 276.424 3.367 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC(CC)CC)CC1 ZINC001161560374 806390323 /nfs/dbraw/zinc/39/03/23/806390323.db2.gz YXNDCTYJRQIOCK-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCOc3ccc(Cl)cc32)C1 ZINC001254652166 806473893 /nfs/dbraw/zinc/47/38/93/806473893.db2.gz BAZGSEDSCSBHMX-OSMZGAPFSA-N 0 3 276.767 3.445 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001254661468 806478242 /nfs/dbraw/zinc/47/82/42/806478242.db2.gz UKLDCJFQUFMFTO-RDJZCZTQSA-N 0 3 279.387 3.236 20 30 CGEDHN N#Cc1ccccc1OC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254667228 806479220 /nfs/dbraw/zinc/47/92/20/806479220.db2.gz AERPOBVRRMWAAV-GOEBONIOSA-N 0 3 295.386 3.094 20 30 CGEDHN Cc1cc(-n2c3ccccc3nc2[C@@H](C)N)ccc1CC#N ZINC001162776713 806663695 /nfs/dbraw/zinc/66/36/95/806663695.db2.gz ASOOPVFETOMINS-CYBMUJFWSA-N 0 3 290.370 3.420 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC=CCC1 ZINC000123455955 798994172 /nfs/dbraw/zinc/99/41/72/798994172.db2.gz XVCUURHBBVTZFW-QWHCGFSZSA-N 0 3 279.343 3.106 20 30 CGEDHN CCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000128366498 799018699 /nfs/dbraw/zinc/01/86/99/799018699.db2.gz ZWCMTDMRDNFZLQ-HNNXBMFYSA-N 0 3 286.375 3.477 20 30 CGEDHN CCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128766018 799020218 /nfs/dbraw/zinc/02/02/18/799020218.db2.gz DGQDHEYINUSUML-CQSZACIVSA-N 0 3 280.327 3.287 20 30 CGEDHN C=CCc1cc(C)cnc1N[C@@H]1CNCc2ccsc21 ZINC001163220834 806727469 /nfs/dbraw/zinc/72/74/69/806727469.db2.gz HXOVIBFXCKZNAH-CQSZACIVSA-N 0 3 285.416 3.436 20 30 CGEDHN O=C(Nc1cnn(C(F)F)c1)[C@@H]1CCCN1C1CCCC1 ZINC000329807485 799254673 /nfs/dbraw/zinc/25/46/73/799254673.db2.gz AEJPZCJDAQNAMZ-LBPRGKRZSA-N 0 3 298.337 3.273 20 30 CGEDHN Cc1cccc(N[C@H]2CNCc3ccsc32)c1C#N ZINC001163230635 806731796 /nfs/dbraw/zinc/73/17/96/806731796.db2.gz YTNBIWRJXGREPY-AWEZNQCLSA-N 0 3 269.373 3.185 20 30 CGEDHN CC[C@@H](CC#N)NCCc1ccc(Br)cc1 ZINC000381166942 799373333 /nfs/dbraw/zinc/37/33/33/799373333.db2.gz SNEDLEDELKETDU-ZDUSSCGKSA-N 0 3 281.197 3.273 20 30 CGEDHN C#C[C@H](NCc1cccc2c1OC(C)(C)C2)C(C)C ZINC000381726784 799386073 /nfs/dbraw/zinc/38/60/73/799386073.db2.gz KYNPUJJRWNIBOQ-HNNXBMFYSA-N 0 3 257.377 3.148 20 30 CGEDHN C[C@H](Cc1ccccc1F)NCc1cc(C#N)co1 ZINC001255839270 806763621 /nfs/dbraw/zinc/76/36/21/806763621.db2.gz TWZPBNDBHIPVEE-LLVKDONJSA-N 0 3 258.296 3.011 20 30 CGEDHN C[C@H](Cc1ccccc1F)N1CCC(C)(C#N)CC1 ZINC001255854636 806770403 /nfs/dbraw/zinc/77/04/03/806770403.db2.gz QKCQPBGLEZBXMJ-CYBMUJFWSA-N 0 3 260.356 3.382 20 30 CGEDHN C#C[C@H](NCc1cnc(N(CC)CC)s1)C(C)(C)C ZINC000702289533 799907200 /nfs/dbraw/zinc/90/72/00/799907200.db2.gz JBHPSOKNAHZAHH-ZDUSSCGKSA-N 0 3 279.453 3.127 20 30 CGEDHN CCCCCCCNCc1ccoc1C(=O)OC ZINC000703759639 799930021 /nfs/dbraw/zinc/93/00/21/799930021.db2.gz IWHFPUDIPIKXJM-UHFFFAOYSA-N 0 3 253.342 3.126 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001024706042 800735353 /nfs/dbraw/zinc/73/53/53/800735353.db2.gz REKLSJWGXJUMHR-OAHLLOKOSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027903505 800825951 /nfs/dbraw/zinc/82/59/51/800825951.db2.gz IKJBJOPJKRASNN-IRXDYDNUSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001028181545 800835889 /nfs/dbraw/zinc/83/58/89/800835889.db2.gz VSYCHHGNJYPREK-LBPRGKRZSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCC1 ZINC001032709800 800934479 /nfs/dbraw/zinc/93/44/79/800934479.db2.gz LAXNXBUASFRJSP-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033076061 800951681 /nfs/dbraw/zinc/95/16/81/800951681.db2.gz KYFRGTLZNRPTCP-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001033710846 800977000 /nfs/dbraw/zinc/97/70/00/800977000.db2.gz KEGAYUUHDCMSFU-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034150625 801007609 /nfs/dbraw/zinc/00/76/09/801007609.db2.gz JJBGSSDNRYWDHR-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001034205304 801011442 /nfs/dbraw/zinc/01/14/42/801011442.db2.gz VGHYPGOJDGHCCA-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034513511 801030330 /nfs/dbraw/zinc/03/03/30/801030330.db2.gz ATKYUZGVOCQUEY-QGZVFWFLSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034543886 801031994 /nfs/dbraw/zinc/03/19/94/801031994.db2.gz BRWWJFDSWKXJAR-UYSNPLJNSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCC2(CN(CC(=C)C)C2)CC1 ZINC001035782613 801061933 /nfs/dbraw/zinc/06/19/33/801061933.db2.gz PBKBNFBZYNQLKN-QGZVFWFLSA-N 0 3 290.451 3.089 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001038189130 801119618 /nfs/dbraw/zinc/11/96/18/801119618.db2.gz CUNNZPSNDCIJQF-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038287292 801122443 /nfs/dbraw/zinc/12/24/43/801122443.db2.gz KOZMESYZENUMOP-IRXDYDNUSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001039393623 801160552 /nfs/dbraw/zinc/16/05/52/801160552.db2.gz DGXKJIUWVUTXAU-OAGGEKHMSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001045449779 801275963 /nfs/dbraw/zinc/27/59/63/801275963.db2.gz OKVUYVXVEOZCSE-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)cc(C)c2)CC1 ZINC001045629287 801282702 /nfs/dbraw/zinc/28/27/02/801282702.db2.gz WEERVWYSUYXAPB-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046413920 801308847 /nfs/dbraw/zinc/30/88/47/801308847.db2.gz CZHJQROIVIDRDN-SJLPKXTDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)C2CCCCCCC2)C1 ZINC001046470332 801312276 /nfs/dbraw/zinc/31/22/76/801312276.db2.gz JNCCVBNQCOMKQB-KRWDZBQOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001046727090 801321276 /nfs/dbraw/zinc/32/12/76/801321276.db2.gz XQBWCSQALDDQJR-BQFCYCMXSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CCC1 ZINC001049619911 801377161 /nfs/dbraw/zinc/37/71/61/801377161.db2.gz XTZJELHKBYSARL-CVEARBPZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049849264 801389291 /nfs/dbraw/zinc/38/92/91/801389291.db2.gz RTUKKKSPCSGMNL-CGTJXYLNSA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049860285 801391065 /nfs/dbraw/zinc/39/10/65/801391065.db2.gz RTUKKKSPCSGMNL-KBAYOESNSA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001050040431 801398901 /nfs/dbraw/zinc/39/89/01/801398901.db2.gz NNXHBGYGSLLGRN-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC001052891154 801455501 /nfs/dbraw/zinc/45/55/01/801455501.db2.gz LKPJIOKZAUKETP-SFHVURJKSA-N 0 3 298.430 3.028 20 30 CGEDHN C[Si](C)(C)C#CNCc1cnc2ccccc2c1 ZINC001164201357 806914870 /nfs/dbraw/zinc/91/48/70/806914870.db2.gz CLNLIXVVPPEUQE-UHFFFAOYSA-N 0 3 254.409 3.163 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001081056376 801659359 /nfs/dbraw/zinc/65/93/59/801659359.db2.gz ZJNJCZPNFUACDW-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](C)CC)C1 ZINC001088266678 801779819 /nfs/dbraw/zinc/77/98/19/801779819.db2.gz GUWBZWAHFFPDHN-JSGCOSHPSA-N 0 3 286.847 3.146 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC2(C)C)C1 ZINC001088298177 801782357 /nfs/dbraw/zinc/78/23/57/801782357.db2.gz GEHUANCAWDMKGQ-UONOGXRCSA-N 0 3 298.858 3.146 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001088385067 801789455 /nfs/dbraw/zinc/78/94/55/801789455.db2.gz WUFNFLUBRTWMDS-QLFBSQMISA-N 0 3 298.858 3.146 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC001088714612 801803129 /nfs/dbraw/zinc/80/31/29/801803129.db2.gz SBLOUMYBPOQWJF-DOMZBBRYSA-N 0 3 292.448 3.134 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1C ZINC001088776274 801805635 /nfs/dbraw/zinc/80/56/35/801805635.db2.gz LMNMLJXZYBUUJQ-ZBFHGGJFSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1C ZINC001089069909 801821918 /nfs/dbraw/zinc/82/19/18/801821918.db2.gz FMZUXRDOCXLELH-HIFRSBDPSA-N 0 3 290.407 3.172 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C1CCCC1)C2 ZINC001096314248 801887630 /nfs/dbraw/zinc/88/76/30/801887630.db2.gz ZXHYBTJJZJHSCE-ORQFMDKSSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC=CCC1)C2 ZINC001096562789 801891195 /nfs/dbraw/zinc/89/11/95/801891195.db2.gz QHDLLTPYODJYML-IKGGRYGDSA-N 0 3 288.435 3.030 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001098944008 801922764 /nfs/dbraw/zinc/92/27/64/801922764.db2.gz HEPHMQJZQJXQSX-CKNOQMABSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001098939757 801922849 /nfs/dbraw/zinc/92/28/49/801922849.db2.gz SVCIARDQAJLVDJ-WSYSLRRZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C/C=C(\C)C=C ZINC001099181521 801931868 /nfs/dbraw/zinc/93/18/68/801931868.db2.gz AOKSGDGYIQWMLU-WPBGYSLVSA-N 0 3 290.451 3.302 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001099291319 801936921 /nfs/dbraw/zinc/93/69/21/801936921.db2.gz HFJBXQVKTAXWBD-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102327439 802004912 /nfs/dbraw/zinc/00/49/12/802004912.db2.gz UHYPKXZNXQXFQL-MSYVOXANSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCC)CCC1)C2 ZINC001109623555 802121669 /nfs/dbraw/zinc/12/16/69/802121669.db2.gz BKLVCGMBIBSXDC-PMPSAXMXSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109767874 802125835 /nfs/dbraw/zinc/12/58/35/802125835.db2.gz OPAKNKFVRCQWEL-PMPSAXMXSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC(C)C)C2 ZINC001109964155 802129021 /nfs/dbraw/zinc/12/90/21/802129021.db2.gz CHBUCJUWZMQAFI-YVSFHVDLSA-N 0 3 292.467 3.356 20 30 CGEDHN CCC1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001256866311 806993894 /nfs/dbraw/zinc/99/38/94/806993894.db2.gz OEOKVQZXHXEWPE-UHFFFAOYSA-N 0 3 265.788 3.409 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCCC)CC1 ZINC001112615273 802182466 /nfs/dbraw/zinc/18/24/66/802182466.db2.gz NJMNTYJCGRVJBA-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C=C2CCCCC2)CC1 ZINC001112657429 802184574 /nfs/dbraw/zinc/18/45/74/802184574.db2.gz GBYFYEKIQYCVHR-INIZCTEOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113243616 802209265 /nfs/dbraw/zinc/20/92/65/802209265.db2.gz LLSNMBSUVOGCIW-IRXDYDNUSA-N 0 3 294.483 3.415 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)CC)CCCCC1 ZINC001115413953 802261329 /nfs/dbraw/zinc/26/13/29/802261329.db2.gz CXPCAIKTUWYDBC-GFCCVEGCSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C[C@H](COC)NCc1cccc(OC(C)(C)C)c1 ZINC001118991448 802625762 /nfs/dbraw/zinc/62/57/62/802625762.db2.gz XYQGLRVTRUHQII-CQSZACIVSA-N 0 3 263.381 3.155 20 30 CGEDHN COC[C@@H]1CCCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001119819599 802700811 /nfs/dbraw/zinc/70/08/11/802700811.db2.gz QOEORRVRFUDPJJ-CYBMUJFWSA-N 0 3 292.810 3.460 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@H]2CCCN2CCF)C1 ZINC001120393491 802743220 /nfs/dbraw/zinc/74/32/20/802743220.db2.gz VPYKSDCSOKLDFM-JKSUJKDBSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC001121866563 802848737 /nfs/dbraw/zinc/84/87/37/802848737.db2.gz BGCIXZGZKUAUOY-SWLSCSKDSA-N 0 3 276.380 3.016 20 30 CGEDHN CC[C@H](F)C(=O)C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001123246740 802922437 /nfs/dbraw/zinc/92/24/37/802922437.db2.gz AYEZSXRFINFBKB-APPZFPTMSA-N 0 3 279.702 3.141 20 30 CGEDHN CC1(C)CC[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123381133 802939100 /nfs/dbraw/zinc/93/91/00/802939100.db2.gz GHWGHHPJUCQCDP-MWLCHTKSSA-N 0 3 278.302 3.362 20 30 CGEDHN COc1ccc(-c2ccc3c(c2)CN(C)CC3)c(C#N)c1 ZINC001243732532 802971689 /nfs/dbraw/zinc/97/16/89/802971689.db2.gz VLDQCWYVAXYYIR-UHFFFAOYSA-N 0 3 278.355 3.222 20 30 CGEDHN N#C[C@@H]1CC=C(c2cncc(CN3CCCC3)c2)CC1 ZINC001243793033 803011625 /nfs/dbraw/zinc/01/16/25/803011625.db2.gz NLHIPOIENVEGHG-CQSZACIVSA-N 0 3 267.376 3.384 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(C)C)CC[C@@H]1C ZINC001132065465 803371751 /nfs/dbraw/zinc/37/17/51/803371751.db2.gz USDLVRKSXYUBTC-LSDHHAIUSA-N 0 3 280.456 3.214 20 30 CGEDHN COc1ccc(-c2cnccc2/C=C/N(C)C)cc1C#N ZINC001244711056 803509386 /nfs/dbraw/zinc/50/93/86/803509386.db2.gz TYDAGOBKKIBYSO-VQHVLOKHSA-N 0 3 279.343 3.161 20 30 CGEDHN CN1CCc2ccc(-c3cccc(C#N)c3F)cc2C1 ZINC001245072889 803632289 /nfs/dbraw/zinc/63/22/89/803632289.db2.gz VYOSCTGTGOOOKK-UHFFFAOYSA-N 0 3 266.319 3.352 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001136449638 803644225 /nfs/dbraw/zinc/64/42/25/803644225.db2.gz OTPZMAKOTNLONP-RDJZCZTQSA-N 0 3 288.435 3.316 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(Cl)cc3F)CCC2S1 ZINC001137657788 803752781 /nfs/dbraw/zinc/75/27/81/803752781.db2.gz OSKAKPLDLFCUJO-ZDUSSCGKSA-N 0 3 297.782 3.253 20 30 CGEDHN C=CCCN(Cc1ccccc1)Cc1cnc(N(C)C)nc1 ZINC001138350510 803901080 /nfs/dbraw/zinc/90/10/80/803901080.db2.gz SQFQKSBBMRDECS-UHFFFAOYSA-N 0 3 296.418 3.121 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC001138619571 803983237 /nfs/dbraw/zinc/98/32/37/803983237.db2.gz BWRJPSKOCQYVHN-HNNXBMFYSA-N 0 3 293.370 3.114 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC3CCC2CC3)c1[O-] ZINC001138627611 803984708 /nfs/dbraw/zinc/98/47/08/803984708.db2.gz BXXSBWATKCAOCF-UHFFFAOYSA-N 0 3 257.377 3.495 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC3CCC2CC3)c1[O-] ZINC001138627611 803984711 /nfs/dbraw/zinc/98/47/11/803984711.db2.gz BXXSBWATKCAOCF-UHFFFAOYSA-N 0 3 257.377 3.495 20 30 CGEDHN C=CCCCCN(C)Cc1cnc2ccccc2n1 ZINC001138867630 804062151 /nfs/dbraw/zinc/06/21/51/804062151.db2.gz NPXBZWFERSEMEH-UHFFFAOYSA-N 0 3 255.365 3.418 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCCC)C1 ZINC001139001354 804105005 /nfs/dbraw/zinc/10/50/05/804105005.db2.gz DBBWKFXMYNTPGG-OAHLLOKOSA-N 0 3 257.377 3.321 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](OCCC)C1 ZINC001139029885 804114649 /nfs/dbraw/zinc/11/46/49/804114649.db2.gz UNUGKORVYLOFOD-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN CC(C)N(CCCCCO)Cc1cc(C#N)ccc1F ZINC001139650042 804243523 /nfs/dbraw/zinc/24/35/23/804243523.db2.gz PYGQQWODDGBXFI-UHFFFAOYSA-N 0 3 278.371 3.070 20 30 CGEDHN Cc1cc(O)cc(C)c1CN1CCC(C)(C#N)CC1 ZINC001139714878 804265864 /nfs/dbraw/zinc/26/58/64/804265864.db2.gz OZOMHMGKBANIIE-UHFFFAOYSA-N 0 3 258.365 3.135 20 30 CGEDHN C=CCn1cc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)cn1 ZINC001139771333 804278425 /nfs/dbraw/zinc/27/84/25/804278425.db2.gz XJIAFHZRFJNUPG-IYBDPMFKSA-N 0 3 279.387 3.156 20 30 CGEDHN COCc1ccc(CN2CCC(CC#N)CC2)s1 ZINC001139827404 804293873 /nfs/dbraw/zinc/29/38/73/804293873.db2.gz VVQXHNMEANXEQN-UHFFFAOYSA-N 0 3 264.394 3.020 20 30 CGEDHN CCO[C@@H]1CCCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140113681 804381559 /nfs/dbraw/zinc/38/15/59/804381559.db2.gz BUFBCZFHNQMHIT-OAHLLOKOSA-N 0 3 283.375 3.040 20 30 CGEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2Cl)CCC[C@]1(C)O ZINC001140600355 804471343 /nfs/dbraw/zinc/47/13/43/804471343.db2.gz IQLRFNOXMIBYJQ-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc(-c3ncccn3)cc2)C1 ZINC001141189532 804606429 /nfs/dbraw/zinc/60/64/29/804606429.db2.gz VITQNEZPWSMMFH-HNNXBMFYSA-N 0 3 292.386 3.269 20 30 CGEDHN CSc1nc(CN(C)C[C@@H]2CC2(C)C)ccc1C#N ZINC001141941492 804681052 /nfs/dbraw/zinc/68/10/52/804681052.db2.gz MAYQGFBEWZLAIT-LBPRGKRZSA-N 0 3 275.421 3.153 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCCNCC=C(Cl)Cl ZINC001165929721 807028235 /nfs/dbraw/zinc/02/82/35/807028235.db2.gz PERUTWHFLYPFMJ-CYBMUJFWSA-N 0 3 293.238 3.004 20 30 CGEDHN C=CC[C@H](C)C(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001144021648 804924860 /nfs/dbraw/zinc/92/48/60/804924860.db2.gz UBVSLRHTAPDORR-AWEZNQCLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001144020809 804925521 /nfs/dbraw/zinc/92/55/21/804925521.db2.gz IIVAIDJIBLHICP-NVXWUHKLSA-N 0 3 286.419 3.152 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC[C@H](CF)C3)[nH]c2c1 ZINC001249428905 805147499 /nfs/dbraw/zinc/14/74/99/805147499.db2.gz GPFINZMMXSSOAL-CYBMUJFWSA-N 0 3 271.339 3.221 20 30 CGEDHN Cc1cc(NC2=CC[C@H](N3CCOCC3)CC2)ccc1C#N ZINC001249558782 805176292 /nfs/dbraw/zinc/17/62/92/805176292.db2.gz BESRZPGZUZPXSB-SFHVURJKSA-N 0 3 297.402 3.047 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C2)C1 ZINC001148436011 805182158 /nfs/dbraw/zinc/18/21/58/805182158.db2.gz CLPBJJHRMWRTAF-GJZGRUSLSA-N 0 3 292.467 3.025 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=S)NCCCCCCC ZINC001249649557 805202366 /nfs/dbraw/zinc/20/23/66/805202366.db2.gz XNHJDHMSEZTZCP-HNNXBMFYSA-N 0 3 297.512 3.071 20 30 CGEDHN CCCCCCCCC(=O)NCCNC/C=C/Cl ZINC001148727691 805207738 /nfs/dbraw/zinc/20/77/38/805207738.db2.gz FZFWSUBVTPNUFF-CSKARUKUSA-N 0 3 274.836 3.195 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)CCCC ZINC001154916333 805507425 /nfs/dbraw/zinc/50/74/25/805507425.db2.gz GNDLKMSANUGZOQ-ZDUSSCGKSA-N 0 3 274.836 3.051 20 30 CGEDHN CCC[C@@H](CC)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001257267230 807080904 /nfs/dbraw/zinc/08/09/04/807080904.db2.gz VQYZVXHQIYAGRO-OAHLLOKOSA-N 0 3 289.398 3.398 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)CC1CCCC1 ZINC001167557566 807205388 /nfs/dbraw/zinc/20/53/88/807205388.db2.gz SIENEXSIPNBBBO-GFCCVEGCSA-N 0 3 286.847 3.051 20 30 CGEDHN N#CCc1ccc(Cl)cc1-n1nc(CN)c2ccccc21 ZINC001167701754 807229711 /nfs/dbraw/zinc/22/97/11/807229711.db2.gz UTTNHFYNLKSRFB-UHFFFAOYSA-N 0 3 296.761 3.204 20 30 CGEDHN C=C1C[C@@H]2CC(N3CCCc4ccc(CN)nc43)C[C@H](C1)C2 ZINC001257888237 807238803 /nfs/dbraw/zinc/23/88/03/807238803.db2.gz CSEJTTXNHWYMGE-MVVMVCHASA-N 0 3 297.446 3.428 20 30 CGEDHN CCCCCCC[C@H](C)N1CCC[C@@H]1C(=O)OC ZINC001258045399 807273835 /nfs/dbraw/zinc/27/38/35/807273835.db2.gz ZYXADZCHUDQQCS-UONOGXRCSA-N 0 3 255.402 3.373 20 30 CGEDHN CCCCCCCCC[C@H](C)n1[n-]c(=O)nc1C[NH3+] ZINC001258231443 807378274 /nfs/dbraw/zinc/37/82/74/807378274.db2.gz OCRISFZGBPGFEX-LBPRGKRZSA-N 0 3 268.405 3.144 20 30 CGEDHN CC[C@@H](CC#N)NC1CCN(c2cccc(F)c2)CC1 ZINC001258414635 807444581 /nfs/dbraw/zinc/44/45/81/807444581.db2.gz BOPVHOIOMIOSRZ-AWEZNQCLSA-N 0 3 275.371 3.076 20 30 CGEDHN C=CCC[C@H](C)NCc1cn(Cc2ccccc2)cn1 ZINC001258723610 807572485 /nfs/dbraw/zinc/57/24/85/807572485.db2.gz AEGXZADHVAEETP-HNNXBMFYSA-N 0 3 269.392 3.376 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001258724656 807572542 /nfs/dbraw/zinc/57/25/42/807572542.db2.gz BSPPGGBUYNIXSR-AWEZNQCLSA-N 0 3 294.439 3.426 20 30 CGEDHN C=CCC[C@H](C)n1nc(C(F)(F)F)c2c1CNCC2 ZINC001258733708 807578954 /nfs/dbraw/zinc/57/89/54/807578954.db2.gz MBFITDNUELSPBQ-VIFPVBQESA-N 0 3 273.302 3.075 20 30 CGEDHN C#CCCCCCCN1CCC2(C1)Oc1ccccc1O2 ZINC001170806325 807910996 /nfs/dbraw/zinc/91/09/96/807910996.db2.gz XSIKWTRKICDGMJ-UHFFFAOYSA-N 0 3 285.387 3.444 20 30 CGEDHN C=C[C@@H]1C[C@]1(Nc1ccc2cnc(C)cc2c1)C(=O)OCC ZINC001170927564 807936850 /nfs/dbraw/zinc/93/68/50/807936850.db2.gz LFVLOKXUNIGGMT-CRAIPNDOSA-N 0 3 296.370 3.463 20 30 CGEDHN CCCC1(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001263664999 807992253 /nfs/dbraw/zinc/99/22/53/807992253.db2.gz QUKOEJGZLXOPAT-SNVBAGLBSA-N 0 3 264.275 3.116 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001263805742 808006436 /nfs/dbraw/zinc/00/64/36/808006436.db2.gz VGIGNJJSICLJPZ-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN N#Cc1ccccc1CN[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171336302 808030659 /nfs/dbraw/zinc/03/06/59/808030659.db2.gz AYJPQEDUGLBKFF-INIZCTEOSA-N 0 3 298.336 3.484 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3c(F)cc(F)cc3C2)CCCC1 ZINC001171336686 808031049 /nfs/dbraw/zinc/03/10/49/808031049.db2.gz KXKWTXVLAPLNRW-CQSZACIVSA-N 0 3 290.357 3.496 20 30 CGEDHN CC#CCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001264369351 808060360 /nfs/dbraw/zinc/06/03/60/808060360.db2.gz UYRPPCWOVUHPGC-KMDWOBIYSA-N 0 3 290.451 3.069 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001171459170 808065069 /nfs/dbraw/zinc/06/50/69/808065069.db2.gz SKEHMGBFPLNTPN-RBSFLKMASA-N 0 3 279.424 3.252 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(CC(C)C)CCC2)[C@H]1C ZINC001264710729 808087146 /nfs/dbraw/zinc/08/71/46/808087146.db2.gz WACITLJUMGZLTB-CVEARBPZSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001265312451 808130045 /nfs/dbraw/zinc/13/00/45/808130045.db2.gz NSNCBWODUAFNOX-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001265640533 808163113 /nfs/dbraw/zinc/16/31/13/808163113.db2.gz GDEZRUXTIYLVCH-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN N#Cc1cc(CN[C@@H]2CSc3ccccc3C2)cs1 ZINC001172197886 808196346 /nfs/dbraw/zinc/19/63/46/808196346.db2.gz NXJXUOXYNOUJKA-ZDUSSCGKSA-N 0 3 286.425 3.426 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001266242985 808231450 /nfs/dbraw/zinc/23/14/50/808231450.db2.gz KEYQDFUKVPEFPB-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCCF)C2)CCCCC1 ZINC001266361815 808247787 /nfs/dbraw/zinc/24/77/87/808247787.db2.gz SQDDFZLTKFQCGI-HNNXBMFYSA-N 0 3 296.430 3.063 20 30 CGEDHN C[C@@H]1CC[C@H](NC(=N)c2ccc(Cl)cn2)C[C@H]1C ZINC001172358244 808253626 /nfs/dbraw/zinc/25/36/26/808253626.db2.gz GRLQHBQMAHMSTR-FOGDFJRCSA-N 0 3 265.788 3.265 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001266628735 808299094 /nfs/dbraw/zinc/29/90/94/808299094.db2.gz QAWCTBBVZIELLU-UMVBOHGHSA-N 0 3 286.847 3.192 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001172491570 808351775 /nfs/dbraw/zinc/35/17/75/808351775.db2.gz FETCWEXZFWBISF-ZDUSSCGKSA-N 0 3 293.361 3.169 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@]1(C)CCC[C@H]1CC)C1CC1 ZINC001267328488 808415772 /nfs/dbraw/zinc/41/57/72/808415772.db2.gz XUESYXYKNJTSMD-QAPCUYQASA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)CCCC)C1 ZINC001267459536 808429871 /nfs/dbraw/zinc/42/98/71/808429871.db2.gz KTBQILPWPXZGMZ-SJORKVTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001267937769 808517296 /nfs/dbraw/zinc/51/72/96/808517296.db2.gz WJTWFVMPUQVBCC-QGZVFWFLSA-N 0 3 286.419 3.124 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H]1CC=CCC1)C(C)C ZINC001268220883 808561046 /nfs/dbraw/zinc/56/10/46/808561046.db2.gz VDJQUBYCVVJQOZ-GJZGRUSLSA-N 0 3 298.858 3.216 20 30 CGEDHN COc1ccc(C#N)c(Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001213074299 815222817 /nfs/dbraw/zinc/22/28/17/815222817.db2.gz NVIKKANIUVLFCO-UHFFFAOYSA-N 0 3 278.315 3.495 20 30 CGEDHN N#Cc1ccccc1CNC1Cc2cc(F)c(F)cc2C1 ZINC001173471212 808642283 /nfs/dbraw/zinc/64/22/83/808642283.db2.gz FMJLBMWQTGXHIM-UHFFFAOYSA-N 0 3 284.309 3.093 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001269198846 808654658 /nfs/dbraw/zinc/65/46/58/808654658.db2.gz FAUKEJDNIMWUSA-QGZVFWFLSA-N 0 3 294.483 3.461 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](CCC)CC(C)C)C1 ZINC001269303205 808667675 /nfs/dbraw/zinc/66/76/75/808667675.db2.gz ZMYNSDORACFHQT-SJORKVTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001269307674 808668550 /nfs/dbraw/zinc/66/85/50/808668550.db2.gz WEFRXBDTWUVGHS-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C#Cc1cccc(Nc2ccccc2CN(C)C)c1 ZINC001173930183 808769873 /nfs/dbraw/zinc/76/98/73/808769873.db2.gz VDDSSOYPGMNXQG-UHFFFAOYSA-N 0 3 250.345 3.473 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CCC)CCC1 ZINC001272031887 808793988 /nfs/dbraw/zinc/79/39/88/808793988.db2.gz AVQOUHFNIQKUCA-HZPDHXFCSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@]1(C)C=CCC1 ZINC001275704082 808958193 /nfs/dbraw/zinc/95/81/93/808958193.db2.gz KGGVKXLQHALGCH-MRXNPFEDSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001276021572 808985203 /nfs/dbraw/zinc/98/52/03/808985203.db2.gz UTSMRPLQQGIPRH-GFCCVEGCSA-N 0 3 296.361 3.034 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001276833824 809035599 /nfs/dbraw/zinc/03/55/99/809035599.db2.gz GOZHEINWIOXJSP-HIFRSBDPSA-N 0 3 294.414 3.329 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001277339962 809069729 /nfs/dbraw/zinc/06/97/29/809069729.db2.gz NFCLJXQGFIVVSW-BBWFWOEESA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN(C)CCN(C(=O)C1C(C)(C)C1(C)C)C(C)C ZINC001278899075 809153718 /nfs/dbraw/zinc/15/37/18/809153718.db2.gz GETHGAHBOSRMBP-UHFFFAOYSA-N 0 3 280.456 3.023 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)[C@H](CC)CCCCC)CC1 ZINC001280776822 809199262 /nfs/dbraw/zinc/19/92/62/809199262.db2.gz LZKVLQTZFCLENP-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001282978278 809268102 /nfs/dbraw/zinc/26/81/02/809268102.db2.gz VTWCBRHOHMWKCJ-INIZCTEOSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C(C)C ZINC001284544671 809307583 /nfs/dbraw/zinc/30/75/83/809307583.db2.gz UDSFMBDSGHYETA-HZPDHXFCSA-N 0 3 294.483 3.414 20 30 CGEDHN C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1[O-] ZINC001175417856 809396388 /nfs/dbraw/zinc/39/63/88/809396388.db2.gz CGQOXYLJEILMDF-SNVBAGLBSA-N 0 3 258.346 3.176 20 30 CGEDHN CN1CCC=C(Nc2ccccc2-c2ccc(C#N)cn2)C1 ZINC001175582358 809461381 /nfs/dbraw/zinc/46/13/81/809461381.db2.gz OKBZCKWBYJQDEX-UHFFFAOYSA-N 0 3 290.370 3.252 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(CCC)cc1 ZINC001297380094 809516067 /nfs/dbraw/zinc/51/60/67/809516067.db2.gz ULSRREPRUXXKKK-UHFFFAOYSA-N 0 3 288.435 3.219 20 30 CGEDHN Cc1cc([C@H]2CCCCN2CCC(C)(C)C#N)n[nH]1 ZINC001176484628 809705678 /nfs/dbraw/zinc/70/56/78/809705678.db2.gz IPOIYVXBNHESOA-CQSZACIVSA-N 0 3 260.385 3.185 20 30 CGEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)C1CC1 ZINC001177178812 809785558 /nfs/dbraw/zinc/78/55/58/809785558.db2.gz VIPWTLUGGDAEBU-UHFFFAOYSA-N 0 3 298.858 3.147 20 30 CGEDHN C#CCCCCCCCCC(=O)N1CCN2CCC1CC2 ZINC001182186584 810097395 /nfs/dbraw/zinc/09/73/95/810097395.db2.gz PQVHRHZKSDJRFI-UHFFFAOYSA-N 0 3 290.451 3.047 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001182604062 810117227 /nfs/dbraw/zinc/11/72/27/810117227.db2.gz CXEVDORLZBSDPA-CQSZACIVSA-N 0 3 272.348 3.057 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2ccccc2)CCOCC1 ZINC001184276968 810187893 /nfs/dbraw/zinc/18/78/93/810187893.db2.gz JJBPXLOYMABOIB-SJORKVTESA-N 0 3 284.403 3.233 20 30 CGEDHN CC(C)(C)CCN1CCN(c2cc(F)ccc2C#N)CC1 ZINC001184972516 810227148 /nfs/dbraw/zinc/22/71/48/810227148.db2.gz GNROHRTWYOZHPH-UHFFFAOYSA-N 0 3 289.398 3.256 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001185070940 810233009 /nfs/dbraw/zinc/23/30/09/810233009.db2.gz LLQJQUULDQEBNS-UKRRQHHQSA-N 0 3 292.448 3.041 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)C(CC)CC)[C@@H]2C1 ZINC001188396090 810480454 /nfs/dbraw/zinc/48/04/54/810480454.db2.gz IQYRTMPPVMVGEO-HYVNUMGLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001189780490 810589884 /nfs/dbraw/zinc/58/98/84/810589884.db2.gz XAUDKIXUQGFJDI-ARFHVFGLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCCCCCC)[C@@H]2C1 ZINC001189907217 810593989 /nfs/dbraw/zinc/59/39/89/810593989.db2.gz YQZPWBVEWDSMQN-DLBZAZTESA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001192577925 810807084 /nfs/dbraw/zinc/80/70/84/810807084.db2.gz JVIXQRJVFMUUPJ-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC2(C=C)CCCCC2)C1 ZINC001192818773 810823024 /nfs/dbraw/zinc/82/30/24/810823024.db2.gz RNLRHVUOJUJGHW-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1ccc(C)c(F)c1 ZINC001192881375 810826732 /nfs/dbraw/zinc/82/67/32/810826732.db2.gz SMVDZQVVSZCFFX-GJZGRUSLSA-N 0 3 251.345 3.112 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](OC)C1CCCC1 ZINC001194165452 811024745 /nfs/dbraw/zinc/02/47/45/811024745.db2.gz SICLTKJWMUAAAY-GOSISDBHSA-N 0 3 271.404 3.327 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001194606057 811093200 /nfs/dbraw/zinc/09/32/00/811093200.db2.gz HEBCRLFGTBUYCT-OOFWQKGWSA-N 0 3 298.430 3.117 20 30 CGEDHN C=CCN(Cc1cccc(OC)c1C)[C@@H](C)COC ZINC001196048251 811313214 /nfs/dbraw/zinc/31/32/14/811313214.db2.gz QCJMWWHXKZKGNC-ZDUSSCGKSA-N 0 3 263.381 3.027 20 30 CGEDHN C=CCCCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001196984931 811389113 /nfs/dbraw/zinc/38/91/13/811389113.db2.gz XPSYOWYAQHMHGQ-UHFFFAOYSA-N 0 3 290.451 3.377 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(CCCC)CC2)CC1 ZINC001197076322 811397474 /nfs/dbraw/zinc/39/74/74/811397474.db2.gz FGHQDZXFBCYXHM-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C#CCN(C[C@@H](OC)c1ccc(F)cc1)C(C)(C)C ZINC001197937929 811466572 /nfs/dbraw/zinc/46/65/72/811466572.db2.gz UCDOHHOSMLPVFE-OAHLLOKOSA-N 0 3 263.356 3.247 20 30 CGEDHN COc1ccc([C@@H](C)N[C@@H](C)CCC#N)c(OC)c1 ZINC001198697096 811535599 /nfs/dbraw/zinc/53/55/99/811535599.db2.gz ZNXMCHHPQKVQIJ-NWDGAFQWSA-N 0 3 262.353 3.047 20 30 CGEDHN CCCCCCCN(C)C(=S)NCCN1CCCCC1 ZINC001200425138 811688733 /nfs/dbraw/zinc/68/87/33/811688733.db2.gz BHYXKOKDGMPUAE-UHFFFAOYSA-N 0 3 299.528 3.249 20 30 CGEDHN CCCCCCCCCN1CC2(C1)CCN(C(C)=O)C2 ZINC001201845904 811970693 /nfs/dbraw/zinc/97/06/93/811970693.db2.gz AELUHHUKINJYCW-UHFFFAOYSA-N 0 3 280.456 3.291 20 30 CGEDHN C#Cc1cccc(CNCc2ccc3cc[nH]c3c2)c1 ZINC001202812364 812179054 /nfs/dbraw/zinc/17/90/54/812179054.db2.gz MGWYTNKPAHNSFJ-UHFFFAOYSA-N 0 3 260.340 3.439 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001203340944 812314864 /nfs/dbraw/zinc/31/48/64/812314864.db2.gz NCEGMSKJHGPKKS-UONOGXRCSA-N 0 3 296.842 3.112 20 30 CGEDHN Cc1ccccc1CN1CCc2cc(C#N)ccc2C1 ZINC001203700199 812432173 /nfs/dbraw/zinc/43/21/73/812432173.db2.gz LOPOBDXANUIURI-UHFFFAOYSA-N 0 3 262.356 3.425 20 30 CGEDHN Cc1ccc(C)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001203743153 812449668 /nfs/dbraw/zinc/44/96/68/812449668.db2.gz MZOPPGKLNZODNT-HNNXBMFYSA-N 0 3 273.401 3.078 20 30 CGEDHN COc1cc(C)c(CN2CCC(C#N)CC2)cc1C ZINC001203752646 812454259 /nfs/dbraw/zinc/45/42/59/812454259.db2.gz PDRLIDICQPEFAS-UHFFFAOYSA-N 0 3 258.365 3.048 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C#N)CC2)cc1C ZINC001203899552 812486491 /nfs/dbraw/zinc/48/64/91/812486491.db2.gz MWKZIWQUNJOFSO-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN C=CC1CCN(Cc2cc(F)ccc2N(C)C)CC1 ZINC001204180977 812567997 /nfs/dbraw/zinc/56/79/97/812567997.db2.gz YEQGXVYELJDUSX-UHFFFAOYSA-N 0 3 262.372 3.290 20 30 CGEDHN CO[C@@]1(C)C[C@H](N(C)Cc2csc(C#N)c2)C1(C)C ZINC001204359819 812620466 /nfs/dbraw/zinc/62/04/66/812620466.db2.gz RJIZUIPUZXPCHH-ZFWWWQNUSA-N 0 3 278.421 3.255 20 30 CGEDHN CC(=O)n1cc(CN2CCC(CC#N)CC2)c2ccccc21 ZINC001204407269 812631067 /nfs/dbraw/zinc/63/10/67/812631067.db2.gz JZHOCJDQZXILTE-UHFFFAOYSA-N 0 3 295.386 3.427 20 30 CGEDHN C[NH+](C)Cc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001204661031 812703101 /nfs/dbraw/zinc/70/31/01/812703101.db2.gz PMSXTTPVGVFYRH-UHFFFAOYSA-N 0 3 254.333 3.223 20 30 CGEDHN C[C@@H](c1ccccn1)N1CCC[C@H](OCCCCC#N)C1 ZINC001205672101 813047581 /nfs/dbraw/zinc/04/75/81/813047581.db2.gz HWGNXQUEOOSMKM-HOTGVXAUSA-N 0 3 287.407 3.317 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001206403411 813314943 /nfs/dbraw/zinc/31/49/43/813314943.db2.gz RIPHJHLUUVCAJN-JTQLQIEISA-N 0 3 296.317 3.426 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCC(C)(C)C)C1 ZINC001206592585 813367832 /nfs/dbraw/zinc/36/78/32/813367832.db2.gz QPKNGQLLJOWEGJ-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C[C@H](CCc1ccccc1F)NCC1(C#N)CCOCC1 ZINC001207775809 813648586 /nfs/dbraw/zinc/64/85/86/813648586.db2.gz RSGVICDGQRHDTP-CQSZACIVSA-N 0 3 290.382 3.057 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001207946707 813676487 /nfs/dbraw/zinc/67/64/87/813676487.db2.gz LRYCUVSWJWCBNB-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCOC3(CCOCC3)C2)CC1 ZINC001208178123 813728375 /nfs/dbraw/zinc/72/83/75/813728375.db2.gz KOBBHTIMXBDCDO-QGZVFWFLSA-N 0 3 291.435 3.170 20 30 CGEDHN CN1CC=C(Nc2ccc(C#N)c3ccccc23)CC1 ZINC001208837495 813860248 /nfs/dbraw/zinc/86/02/48/813860248.db2.gz JWMLLKOKRDREJC-UHFFFAOYSA-N 0 3 263.344 3.343 20 30 CGEDHN C[C@H]1C(=O)CCN(CCc2ccc(C#N)cc2)C12CCCC2 ZINC001208928746 813903790 /nfs/dbraw/zinc/90/37/90/813903790.db2.gz KTERFRZSCOVTPG-HNNXBMFYSA-N 0 3 296.414 3.324 20 30 CGEDHN C=CCCCCN1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001209200832 813965065 /nfs/dbraw/zinc/96/50/65/813965065.db2.gz PIEJXFHGQVVRDI-HUUCEWRRSA-N 0 3 294.439 3.426 20 30 CGEDHN C#CCCCN1CCSC[C@@H]1c1cccc(OC)c1 ZINC001209267546 813988947 /nfs/dbraw/zinc/98/89/47/813988947.db2.gz IWTWKXXGAGPPIH-MRXNPFEDSA-N 0 3 275.417 3.199 20 30 CGEDHN C#CCN1CCN(CCCCCC/C=C\CC)CC1 ZINC001209288365 813994335 /nfs/dbraw/zinc/99/43/35/813994335.db2.gz HCZNVPWJIAZLQG-WAYWQWQTSA-N 0 3 262.441 3.154 20 30 CGEDHN C=CCCCCCCCN1C[C@H](CO)C[C@H](F)C1 ZINC001209438921 814038669 /nfs/dbraw/zinc/03/86/69/814038669.db2.gz YFKQIWWTEYDDCB-CABCVRRESA-N 0 3 257.393 3.165 20 30 CGEDHN C=CCCCCCN1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001209422971 814025825 /nfs/dbraw/zinc/02/58/25/814025825.db2.gz BAOIDJWCKHADDG-UHFFFAOYSA-N 0 3 294.439 3.286 20 30 CGEDHN C=CCCCCCCCCN1CCCC[C@@H]1C(N)=O ZINC001209444676 814045086 /nfs/dbraw/zinc/04/50/86/814045086.db2.gz XODYGHXFHAZDFW-OAHLLOKOSA-N 0 3 266.429 3.243 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC001219673690 816274933 /nfs/dbraw/zinc/27/49/33/816274933.db2.gz MODPGGSWGJOPGZ-JYJNAYRXSA-N 0 3 280.456 3.393 20 30 CGEDHN C=CCCC(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001226463403 817365477 /nfs/dbraw/zinc/36/54/77/817365477.db2.gz PFXCCQGRKWMCNU-UHFFFAOYSA-N 0 3 286.419 3.042 20 30 CGEDHN CCC[C@@H](C#Cc1ccccc1)Oc1ccnc(N)c1 ZINC001226653333 817424703 /nfs/dbraw/zinc/42/47/03/817424703.db2.gz HYFBMKXSMODIDK-HNNXBMFYSA-N 0 3 266.344 3.263 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228270061 817857721 /nfs/dbraw/zinc/85/77/21/817857721.db2.gz LWVJOXVTRGTEOQ-ZIAGYGMSSA-N 0 3 284.831 3.112 20 30 CGEDHN CN(Cc1ccccc1C#Cc1ccccc1)[C@H]1CCOC1 ZINC001231578929 818127872 /nfs/dbraw/zinc/12/78/72/818127872.db2.gz UTKHDHFUKBIUDD-FQEVSTJZSA-N 0 3 291.394 3.307 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@](C)(F)CC1 ZINC001231616411 818138878 /nfs/dbraw/zinc/13/88/78/818138878.db2.gz CBCRDWHFCOOYTF-INIZCTEOSA-N 0 3 276.355 3.281 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@@H]2c2ccccn2)c1 ZINC001231658975 818150858 /nfs/dbraw/zinc/15/08/58/818150858.db2.gz CCZNEBHHCAJUTM-GOSISDBHSA-N 0 3 262.356 3.400 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001231659902 818152285 /nfs/dbraw/zinc/15/22/85/818152285.db2.gz WRQQAPUYKZOJAK-QGZVFWFLSA-N 0 3 299.414 3.222 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC001231659923 818152589 /nfs/dbraw/zinc/15/25/89/818152589.db2.gz XAJQHZBJMLYDBR-CYBMUJFWSA-N 0 3 253.267 3.052 20 30 CGEDHN CO[C@@H]1CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115403 818259812 /nfs/dbraw/zinc/25/98/12/818259812.db2.gz OBWSPZNKIOCKGG-CQSZACIVSA-N 0 3 278.783 3.213 20 30 CGEDHN CN(Cc1c[nH]c2ccc(O)cc12)Cc1cccc(C#N)c1 ZINC001232869242 818459266 /nfs/dbraw/zinc/45/92/66/818459266.db2.gz PWRAVRGBHIDLJB-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN CCCCCN1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233081337 818519893 /nfs/dbraw/zinc/51/98/93/818519893.db2.gz UVRMYHFHEGEWTI-UHFFFAOYSA-N 0 3 285.435 3.175 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](C(F)F)C1 ZINC001233082536 818521377 /nfs/dbraw/zinc/52/13/77/818521377.db2.gz FNVZXOULFODERW-CQSZACIVSA-N 0 3 264.319 3.344 20 30 CGEDHN CCc1cc(C)c(C#N)c(O[C@@H]2CCCN(C(C)C)C2)n1 ZINC001233557479 818640826 /nfs/dbraw/zinc/64/08/26/818640826.db2.gz YYDGCYFGOLDBIV-OAHLLOKOSA-N 0 3 287.407 3.076 20 30 CGEDHN N#CCc1ccccc1CN1CCC[C@H]1c1cccnc1 ZINC001235510568 819112929 /nfs/dbraw/zinc/11/29/29/819112929.db2.gz CDBRIYGHITUREV-SFHVURJKSA-N 0 3 277.371 3.485 20 30 CGEDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccccc1CC#N ZINC001235524882 819113921 /nfs/dbraw/zinc/11/39/21/819113921.db2.gz BRRULAFACOULGA-UHFFFAOYSA-N 0 3 280.371 3.480 20 30 CGEDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1CC#N ZINC001235524882 819113923 /nfs/dbraw/zinc/11/39/23/819113923.db2.gz BRRULAFACOULGA-UHFFFAOYSA-N 0 3 280.371 3.480 20 30 CGEDHN C=CCOc1ccc(CN2CCc3ccc(N)cc3C2)cc1 ZINC001236234298 819395025 /nfs/dbraw/zinc/39/50/25/819395025.db2.gz XFBSRSHQSALNPU-UHFFFAOYSA-N 0 3 294.398 3.392 20 30 CGEDHN C#CC1CCN(Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001236905586 819636558 /nfs/dbraw/zinc/63/65/58/819636558.db2.gz UHNCKRQCYZCWSW-UHFFFAOYSA-N 0 3 299.805 3.371 20 30 CGEDHN CCN1CCN(Cc2cc(Cl)cc(C#N)c2)C(C)(C)C1 ZINC001237753142 819837057 /nfs/dbraw/zinc/83/70/57/819837057.db2.gz FMVNINBQIMZXEZ-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN C#CC1CCN(Cc2ccccc2Oc2cnccn2)CC1 ZINC001238020941 819913598 /nfs/dbraw/zinc/91/35/98/819913598.db2.gz XASWTNQHEJXGME-UHFFFAOYSA-N 0 3 293.370 3.114 20 30 CGEDHN CN(Cc1ccc(Cl)c(C#N)c1)C[C@@H]1CCCCO1 ZINC001238194689 819952766 /nfs/dbraw/zinc/95/27/66/819952766.db2.gz RHTYNXFSHXGTFF-AWEZNQCLSA-N 0 3 278.783 3.213 20 30 CGEDHN CCCCCCCNC(=O)N1CCN[C@@H](CCCC)C1 ZINC001239292972 820255148 /nfs/dbraw/zinc/25/51/48/820255148.db2.gz MZNOQEAUTQOVNS-HNNXBMFYSA-N 0 3 283.460 3.130 20 30 CGEDHN CN1CC=C(c2ccc(C(F)(F)F)cc2CC#N)CC1 ZINC001241327895 821735519 /nfs/dbraw/zinc/73/55/19/821735519.db2.gz UJWMLVQZSBZHLI-UHFFFAOYSA-N 0 3 280.293 3.490 20 30 CGEDHN N#Cc1ccnc(C2=CCN(Cc3ccccc3)CC2)c1 ZINC001241501614 821903555 /nfs/dbraw/zinc/90/35/55/821903555.db2.gz OZYRHRKWUJQCSK-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)c1nccs1 ZINC001340588329 936408614 /nfs/dbraw/zinc/40/86/14/936408614.db2.gz AIFCUDDAIXPEOK-GFCCVEGCSA-N 0 3 283.441 3.184 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(SC)cc1OC ZINC001341914102 936453912 /nfs/dbraw/zinc/45/39/12/936453912.db2.gz ZSYIXBCZBLERHB-LBPRGKRZSA-N 0 3 294.420 3.039 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@]1(C)c1ccccc1 ZINC001342454101 936467818 /nfs/dbraw/zinc/46/78/18/936467818.db2.gz OKGYARUDFTWUKK-FUHWJXTLSA-N 0 3 286.419 3.208 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC001342734088 936477096 /nfs/dbraw/zinc/47/70/96/936477096.db2.gz RMCQBMORSSOMDZ-ZYHUDNBSSA-N 0 3 271.307 3.140 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC001342738939 936477943 /nfs/dbraw/zinc/47/79/43/936477943.db2.gz OJKRBDCICYLTJT-HUUCEWRRSA-N 0 3 291.439 3.017 20 30 CGEDHN CC(C)[C@H](F)C(=O)C(C#N)c1nccn1Cc1ccccc1 ZINC001343705218 936510894 /nfs/dbraw/zinc/51/08/94/936510894.db2.gz ODPCZNZHAIBXAM-CABCVRRESA-N 0 3 299.349 3.102 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC001344321797 936529223 /nfs/dbraw/zinc/52/92/23/936529223.db2.gz BLMFDMNWENPRSQ-HNNXBMFYSA-N 0 3 299.349 3.241 20 30 CGEDHN COc1cc(CNCc2ccc3c(c2)CCC3)ccc1C#N ZINC001344575250 936538877 /nfs/dbraw/zinc/53/88/77/936538877.db2.gz PHTABDCSDXHTLE-UHFFFAOYSA-N 0 3 292.382 3.345 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2cccc(F)n2)c(C)s1 ZINC001344587230 936539247 /nfs/dbraw/zinc/53/92/47/936539247.db2.gz PQKNDLCGUCVMKP-NSHDSACASA-N 0 3 274.320 3.389 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CCCCCCC1 ZINC001344875309 936547639 /nfs/dbraw/zinc/54/76/39/936547639.db2.gz RBBGTLJXKQWXBD-CQSZACIVSA-N 0 3 273.380 3.440 20 30 CGEDHN C[C@@H]1CCC[C@@]1(C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001345621814 936817521 /nfs/dbraw/zinc/81/75/21/936817521.db2.gz OTBZSSLSNSRIRL-BPYAMOTFSA-N 0 3 278.302 3.362 20 30 CGEDHN Cc1coc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c1C ZINC001346088426 936837362 /nfs/dbraw/zinc/83/73/62/936837362.db2.gz XTNNFZDACHREEL-CQSZACIVSA-N 0 3 296.326 3.166 20 30 CGEDHN CC1(C)C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC001346537474 936851985 /nfs/dbraw/zinc/85/19/85/936851985.db2.gz LYGLFXOVGOXOGN-NWDGAFQWSA-N 0 3 298.342 3.209 20 30 CGEDHN CC1(C)C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC001346537473 936851993 /nfs/dbraw/zinc/85/19/93/936851993.db2.gz LYGLFXOVGOXOGN-NEPJUHHUSA-N 0 3 298.342 3.209 20 30 CGEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001479968064 936951490 /nfs/dbraw/zinc/95/14/90/936951490.db2.gz ZQFUFXUTESLRFG-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC001349703425 936958867 /nfs/dbraw/zinc/95/88/67/936958867.db2.gz XJDYBXMIAPMOLY-DMRZNYOFSA-N 0 3 293.370 3.129 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001481530596 927016637 /nfs/dbraw/zinc/01/66/37/927016637.db2.gz JLFPALJEMPHYFR-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CCCC ZINC001481664372 927049208 /nfs/dbraw/zinc/04/92/08/927049208.db2.gz LEUQRTIUGXYYEU-PMPSAXMXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001481678035 927053952 /nfs/dbraw/zinc/05/39/52/927053952.db2.gz GNQUKTJZYRVTQR-ULQDDVLXSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001481675381 927054487 /nfs/dbraw/zinc/05/44/87/927054487.db2.gz MIAFXEVOHPFKFF-JYJNAYRXSA-N 0 3 290.451 3.207 20 30 CGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001481778432 927087891 /nfs/dbraw/zinc/08/78/91/927087891.db2.gz MTYBFNBPVJZNCE-DLBZAZTESA-N 0 3 292.467 3.005 20 30 CGEDHN C/C=C\COc1ccc(CC[C@H](C)NCCC#N)cc1 ZINC000426001296 927111360 /nfs/dbraw/zinc/11/13/60/927111360.db2.gz KNQJUHQFBANPIK-JZIMQPMSSA-N 0 3 272.392 3.466 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H](C)CC)C1CC1 ZINC001481927333 927113308 /nfs/dbraw/zinc/11/33/08/927113308.db2.gz OGRVYOJKRHOYKB-IAQYHMDHSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C2(C)CCCC2)CCCC1 ZINC001482225780 927176049 /nfs/dbraw/zinc/17/60/49/927176049.db2.gz KALZINADRHHDAP-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)C(=C)C)C(C)C ZINC001482548877 927284453 /nfs/dbraw/zinc/28/44/53/927284453.db2.gz UHLOCYKNALSTFB-ZDUSSCGKSA-N 0 3 286.847 3.072 20 30 CGEDHN C=CCCC(=O)NC/C=C\CNCc1ccc(Cl)cc1 ZINC001482988529 927387167 /nfs/dbraw/zinc/38/71/67/927387167.db2.gz OVNXNFCXQMBVPG-PLNGDYQASA-N 0 3 292.810 3.068 20 30 CGEDHN N#CC(C(=O)C=Cc1cccs1)c1cccc(F)n1 ZINC001357580066 937174794 /nfs/dbraw/zinc/17/47/94/937174794.db2.gz IBXCQWRQZVNZEW-ZADCQDASSA-N 0 3 272.304 3.172 20 30 CGEDHN N#CC(C(=O)CCc1ccc(F)cc1F)c1ccccn1 ZINC000152263196 927589340 /nfs/dbraw/zinc/58/93/40/927589340.db2.gz ZZCWINHKWNYDKZ-ZDUSSCGKSA-N 0 3 286.281 3.169 20 30 CGEDHN C=CC(C)(C)C(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001484140225 927680793 /nfs/dbraw/zinc/68/07/93/927680793.db2.gz QYDSDPYIHZCNHG-RMKNXTFCSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C(C)(C)C ZINC001484556801 927720736 /nfs/dbraw/zinc/72/07/36/927720736.db2.gz JSKOYKWYCIUVDZ-UHFFFAOYSA-N 0 3 288.435 3.357 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC001485746281 927912406 /nfs/dbraw/zinc/91/24/06/927912406.db2.gz CRTDWBIOLIULFG-CQSZACIVSA-N 0 3 294.826 3.236 20 30 CGEDHN C#CCN(Cc1cc(=O)oc2c(C)c(C)ccc12)C(C)C ZINC001198027650 928270089 /nfs/dbraw/zinc/27/00/89/928270089.db2.gz RJOQKSJOZSIEEJ-UHFFFAOYSA-N 0 3 283.371 3.253 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCC1(C)C)C1CC1 ZINC001495282005 928331448 /nfs/dbraw/zinc/33/14/48/928331448.db2.gz VPOBUDPSASQFSO-CZUORRHYSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1ccc(CC(C)C)s1 ZINC001492967962 937244380 /nfs/dbraw/zinc/24/43/80/937244380.db2.gz SBFHAWZCQPKGKU-UHFFFAOYSA-N 0 3 294.464 3.184 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001320021580 928486584 /nfs/dbraw/zinc/48/65/84/928486584.db2.gz QVMDOHVKVIHOIN-RDJZCZTQSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001490932281 928818056 /nfs/dbraw/zinc/81/80/56/928818056.db2.gz OEVBPGYFDFQEFB-MGPQQGTHSA-N 0 3 286.847 3.048 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCCC(C)(C)C2)CCCC1 ZINC001448507223 937375052 /nfs/dbraw/zinc/37/50/52/937375052.db2.gz GQNPZSVWTQMTHN-UHFFFAOYSA-N 0 3 292.467 3.361 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC1CC1 ZINC001459776352 937499558 /nfs/dbraw/zinc/49/95/58/937499558.db2.gz OLWNPVLYJLUBCO-OAHLLOKOSA-N 0 3 298.213 3.372 20 30 CGEDHN C#C[C@@H](CC(C)C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301716 932128679 /nfs/dbraw/zinc/12/86/79/932128679.db2.gz BOPXVKCZOMNMQI-INIZCTEOSA-N 0 3 287.403 3.248 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230845020 932629818 /nfs/dbraw/zinc/62/98/18/932629818.db2.gz UXXXYRCLQIPGIR-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C#C[C@H](NCc1ccccc1OCC(F)F)C(C)C ZINC001462212169 937625746 /nfs/dbraw/zinc/62/57/46/937625746.db2.gz RQRQEUSTMDCRSZ-ZDUSSCGKSA-N 0 3 267.319 3.078 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C(C)C ZINC001316677945 932822487 /nfs/dbraw/zinc/82/24/87/932822487.db2.gz ZCGDRHDQSALVTD-TZMCWYRMSA-N 0 3 286.847 3.002 20 30 CGEDHN C#Cc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1 ZINC001304802779 932856475 /nfs/dbraw/zinc/85/64/75/932856475.db2.gz SHNIWOCXELVFIQ-QGZVFWFLSA-N 0 3 284.403 3.117 20 30 CGEDHN CN1CCC[C@@H]1CSc1ccc(C#N)cc1Cl ZINC001307317883 932939607 /nfs/dbraw/zinc/93/96/07/932939607.db2.gz PJFMFWDWULFXJJ-LLVKDONJSA-N 0 3 266.797 3.398 20 30 CGEDHN C#Cc1ccc(CNCc2c[nH]c(=O)c3ccccc23)cc1 ZINC001308524569 933125024 /nfs/dbraw/zinc/12/50/24/933125024.db2.gz AVUWCFHLPJFIHV-UHFFFAOYSA-N 0 3 288.350 3.212 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC001308794679 933177404 /nfs/dbraw/zinc/17/74/04/933177404.db2.gz BHFFNUBHXBMMER-CVEARBPZSA-N 0 3 276.811 3.088 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCCC12CC2 ZINC001474657071 933265772 /nfs/dbraw/zinc/26/57/72/933265772.db2.gz UGWYEUKRAMYTQE-ZDUSSCGKSA-N 0 3 258.340 3.367 20 30 CGEDHN C=CCC1(NC(=O)NC[C@H]2CCCCN2C)CCCCC1 ZINC001313376172 933448096 /nfs/dbraw/zinc/44/80/96/933448096.db2.gz MOCVHWGXMWOAAL-OAHLLOKOSA-N 0 3 293.455 3.049 20 30 CGEDHN C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001317096227 933529185 /nfs/dbraw/zinc/52/91/85/933529185.db2.gz RAWNYZBDCMSRSH-WZYMTQMTSA-N 0 3 296.430 3.202 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCCN1CC(=C)C ZINC001317173995 933548091 /nfs/dbraw/zinc/54/80/91/933548091.db2.gz RGEXZVKQAWLWIS-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001317208844 933553696 /nfs/dbraw/zinc/55/36/96/933553696.db2.gz MCSFJLDVKLNMQX-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001317950015 933667620 /nfs/dbraw/zinc/66/76/20/933667620.db2.gz SJPQQFVQUWQQTD-OAHLLOKOSA-N 0 3 296.430 3.206 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(CC)CC ZINC001318203962 933694655 /nfs/dbraw/zinc/69/46/55/933694655.db2.gz BWUNDXNCWPBBEJ-XIRDDKMYSA-N 0 3 292.467 3.310 20 30 CGEDHN CN(C)[C@@H](CNc1cccc(CC#N)n1)c1cccc(F)c1 ZINC001319180576 933837956 /nfs/dbraw/zinc/83/79/56/933837956.db2.gz RXTVKIHHEUNVNA-INIZCTEOSA-N 0 3 298.365 3.002 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C1CCCCC1)C(C)C ZINC001319896042 933954114 /nfs/dbraw/zinc/95/41/14/933954114.db2.gz LMCGQHLOMFGPRL-CQSZACIVSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001320073348 933991948 /nfs/dbraw/zinc/99/19/48/933991948.db2.gz YFXKAFRKVGXLBH-MRXNPFEDSA-N 0 3 298.446 3.261 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(SC(F)F)cc1 ZINC001320294303 934024966 /nfs/dbraw/zinc/02/49/66/934024966.db2.gz KURRJBHLJXRULK-LLVKDONJSA-N 0 3 273.348 3.292 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001324958236 934876215 /nfs/dbraw/zinc/87/62/15/934876215.db2.gz REUMLESDPHAMHW-YJBOKZPZSA-N 0 3 292.467 3.217 20 30 CGEDHN CN(C[C@@H]1CCCC12CCOCC2)CC(C)(C)C#N ZINC001473497522 937808939 /nfs/dbraw/zinc/80/89/39/937808939.db2.gz CVNYSWDNKZVOHK-AWEZNQCLSA-N 0 3 264.413 3.065 20 30 CGEDHN C=CCO[C@@H]1CCN(CCc2ccc(F)cc2Cl)C1 ZINC001325928801 934940735 /nfs/dbraw/zinc/94/07/35/934940735.db2.gz TYFFPKIPPRMMKK-CQSZACIVSA-N 0 3 283.774 3.299 20 30 CGEDHN C#CCN(Cc1ccc(OCC)c(F)c1)CC1CC1 ZINC001326642198 934997272 /nfs/dbraw/zinc/99/72/72/934997272.db2.gz HYMPEEKYZOQOBB-UHFFFAOYSA-N 0 3 261.340 3.070 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CCC(O)CC1 ZINC001327545415 935069469 /nfs/dbraw/zinc/06/94/69/935069469.db2.gz FCTFSILHPPPIAG-AWRGBYNESA-N 0 3 298.430 3.309 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(C)CCCCC1 ZINC001328763391 935167340 /nfs/dbraw/zinc/16/73/40/935167340.db2.gz CIXFODOCKBVKGP-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC001328786095 935169001 /nfs/dbraw/zinc/16/90/01/935169001.db2.gz MEHOHPSLRLDEQH-OAHLLOKOSA-N 0 3 292.810 3.062 20 30 CGEDHN CC[C@@H](NCc1cccc(OCC#N)c1)c1ccncc1 ZINC001330715875 935316917 /nfs/dbraw/zinc/31/69/17/935316917.db2.gz VGUJCGGBWATRDH-QGZVFWFLSA-N 0 3 281.359 3.225 20 30 CGEDHN CC(C)c1cc([C@H]2CCCN(CC3(CC#N)CC3)C2)[nH]n1 ZINC001330723419 935317065 /nfs/dbraw/zinc/31/70/65/935317065.db2.gz UOWOMVYLBNKPAI-AWEZNQCLSA-N 0 3 286.423 3.406 20 30 CGEDHN CC(C)c1cc([C@H]2CCCN(CC3(CC#N)CC3)C2)n[nH]1 ZINC001330723419 935317072 /nfs/dbraw/zinc/31/70/72/935317072.db2.gz UOWOMVYLBNKPAI-AWEZNQCLSA-N 0 3 286.423 3.406 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H]1C=CCCC1)C(C)C ZINC001332710942 935484162 /nfs/dbraw/zinc/48/41/62/935484162.db2.gz NAQOVSCGWBENJN-KRWDZBQOSA-N 0 3 292.467 3.478 20 30 CGEDHN C#C[C@H](NCCCC(F)(F)F)c1ccc(F)cc1 ZINC001333766056 936065019 /nfs/dbraw/zinc/06/50/19/936065019.db2.gz ZVBGZPVJYGCPQR-LBPRGKRZSA-N 0 3 259.246 3.432 20 30 CGEDHN C=C(Br)CNCCc1ccc(F)c(F)c1 ZINC001334168487 936088790 /nfs/dbraw/zinc/08/87/90/936088790.db2.gz NTGNRKBLHJWSMK-UHFFFAOYSA-N 0 3 276.124 3.006 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001338114074 936306717 /nfs/dbraw/zinc/30/67/17/936306717.db2.gz XPRNFUOKGRRHQU-JQWIXIFHSA-N 0 3 289.297 3.437 20 30 CGEDHN CSCC(C)(C)NCC#Cc1ccc(Cl)cc1 ZINC001473862410 937825604 /nfs/dbraw/zinc/82/56/04/937825604.db2.gz ZJKKCBMBQNYFBW-UHFFFAOYSA-N 0 3 267.825 3.423 20 30 CGEDHN CCCCCCCNCc1cn(Cc2ccccc2)nn1 ZINC001473915666 937830036 /nfs/dbraw/zinc/83/00/36/937830036.db2.gz GIMPIICLFRFEOQ-UHFFFAOYSA-N 0 3 286.423 3.386 20 30 CGEDHN C#C[C@@H](CC)NCc1ccccc1CC(F)(F)F ZINC001474508378 937863916 /nfs/dbraw/zinc/86/39/16/937863916.db2.gz JEVLOYOJLOGXDG-ZDUSSCGKSA-N 0 3 255.283 3.293 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC001479094382 937916180 /nfs/dbraw/zinc/91/61/80/937916180.db2.gz WAEFRQCWEOHOCN-OAHLLOKOSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001479909199 937929033 /nfs/dbraw/zinc/92/90/33/937929033.db2.gz YSOFHRLZPVQXJM-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001480743237 937943109 /nfs/dbraw/zinc/94/31/09/937943109.db2.gz XNGMPCUKCNAXAZ-SJORKVTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCN(CCNC(=O)c1sccc1C(C)C)C1CC1 ZINC001493450597 937950610 /nfs/dbraw/zinc/95/06/10/937950610.db2.gz UODOZYHSRCXFDC-UHFFFAOYSA-N 0 3 292.448 3.252 20 30 CGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@H](C)CCC)C1 ZINC001493942790 937952118 /nfs/dbraw/zinc/95/21/18/937952118.db2.gz RJSIAYFZQLVLQQ-IAGOWNOFSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001493958653 937952522 /nfs/dbraw/zinc/95/25/22/937952522.db2.gz BBRBXMNBNOWZHD-BRWVUGGUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCC ZINC001494647735 937955279 /nfs/dbraw/zinc/95/52/79/937955279.db2.gz DHKSBCQTQJRLDX-PMPSAXMXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)CCC2(C)CC2)CCCC1 ZINC001495952570 937960703 /nfs/dbraw/zinc/96/07/03/937960703.db2.gz CDJGUCWJZPTHJV-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(C)CCCCCC1 ZINC001498997198 937971712 /nfs/dbraw/zinc/97/17/12/937971712.db2.gz GGVHEVIMXKXAGZ-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001498978637 937971821 /nfs/dbraw/zinc/97/18/21/937971821.db2.gz HVBRIARVRPFWHM-HRCADAONSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1CC/C=C\CC ZINC001499059050 937972093 /nfs/dbraw/zinc/97/20/93/937972093.db2.gz ZNESFKSWCPMGTF-CAUIONCQSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNCC(=C)Cl)C1 ZINC001501614678 937980135 /nfs/dbraw/zinc/98/01/35/937980135.db2.gz GRLVKJRLRMYXTK-ZBFHGGJFSA-N 0 3 298.858 3.169 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@](C)(CC)CCC ZINC001502385110 937982059 /nfs/dbraw/zinc/98/20/59/937982059.db2.gz JTAXMCWPJSCAGB-KRWDZBQOSA-N 0 3 280.456 3.006 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001508225580 937998805 /nfs/dbraw/zinc/99/88/05/937998805.db2.gz TWJVPKYHYUOERW-GJZGRUSLSA-N 0 3 292.467 3.239 20 30 CGEDHN N#CC(C(=O)c1ccoc1C1CC1)c1cccc(F)n1 ZINC001516804776 938009800 /nfs/dbraw/zinc/00/98/00/938009800.db2.gz XOWGKKDAQBPJCP-LLVKDONJSA-N 0 3 270.263 3.181 20 30 CGEDHN C=CCC(C)(C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001518068167 938014075 /nfs/dbraw/zinc/01/40/75/938014075.db2.gz ZYVOCFIHSYYIIE-JTQLQIEISA-N 0 3 264.275 3.138 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001520028483 938022600 /nfs/dbraw/zinc/02/26/00/938022600.db2.gz FOAVSCKOWNFZPE-NXEZZACHSA-N 0 3 279.771 3.076 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1c(C)cc(OC)c(C)c1C ZINC001521587201 938032906 /nfs/dbraw/zinc/03/29/06/938032906.db2.gz HAUYJFBHZCEBAH-CQSZACIVSA-N 0 3 290.407 3.243 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C2CC2)cc1 ZINC001556466746 938203930 /nfs/dbraw/zinc/20/39/30/938203930.db2.gz LAVYUKMGSPIDHP-UHFFFAOYSA-N 0 3 286.419 3.144 20 30 CGEDHN C=CC[C@@H](C)N1CCN(c2nc3ccccc3s2)CC1 ZINC001559668499 938232290 /nfs/dbraw/zinc/23/22/90/938232290.db2.gz BNRKYDRIJMYNOU-CYBMUJFWSA-N 0 3 287.432 3.383 20 30 CGEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001559746578 938234251 /nfs/dbraw/zinc/23/42/51/938234251.db2.gz DRKDDMIOCYWSJI-CYBMUJFWSA-N 0 3 286.202 3.370 20 30 CGEDHN Cc1cc([C@@H]2CCCCN2CCc2ccc(C#N)cc2)[nH]n1 ZINC001560173809 938246133 /nfs/dbraw/zinc/24/61/33/938246133.db2.gz PEPURFFOHDVBAL-SFHVURJKSA-N 0 3 294.402 3.360 20 30 CGEDHN C#C[C@H]1CCCCN1CCOc1ccc(SC)cc1 ZINC001560209763 938247405 /nfs/dbraw/zinc/24/74/05/938247405.db2.gz XGVCGTVKHOYMIS-AWEZNQCLSA-N 0 3 275.417 3.275 20 30 CGEDHN C[C@@H]1CC[C@@](CO)(NCC2(CC#N)CC2)c2ccccc21 ZINC001560226473 938247771 /nfs/dbraw/zinc/24/77/71/938247771.db2.gz SEJYGECUGSQRBO-KDOFPFPSSA-N 0 3 284.403 3.055 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)s2)cc1C ZINC001560510007 938260948 /nfs/dbraw/zinc/26/09/48/938260948.db2.gz ZXHHGWHYENKMEN-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001560900741 938282775 /nfs/dbraw/zinc/28/27/75/938282775.db2.gz HIRAIAVVVZGEAC-ZDUSSCGKSA-N 0 3 292.373 3.266 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001565854362 960845271 /nfs/dbraw/zinc/84/52/71/960845271.db2.gz AOQGXKVZRYRYAO-NFAWXSAZSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCCC(C)C ZINC001566124220 960887204 /nfs/dbraw/zinc/88/72/04/960887204.db2.gz LIDSEHDNPPCSFA-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(CCC)CCC)C1 ZINC001566801817 961018340 /nfs/dbraw/zinc/01/83/40/961018340.db2.gz DICNFQRUTNYLCO-HDJSIYSDSA-N 0 3 286.847 3.192 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1ccccc1C1CCC1 ZINC001567352140 961293786 /nfs/dbraw/zinc/29/37/86/961293786.db2.gz HKXKDLIZVKAGNE-UHFFFAOYSA-N 0 3 286.419 3.192 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1ccc(C)c(Cl)c1F ZINC001567340024 961293966 /nfs/dbraw/zinc/29/39/66/961293966.db2.gz CTHTUYBWEFXQST-UHFFFAOYSA-N 0 3 298.789 3.025 20 30 CGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001567419838 961325974 /nfs/dbraw/zinc/32/59/74/961325974.db2.gz VOCHWKJYRPYKOI-DLBZAZTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=C1CCC(C(=O)NCC2CN(CC/C=C\CC)C2)CC1 ZINC001567839961 961446489 /nfs/dbraw/zinc/44/64/89/961446489.db2.gz BXFHMCPNLHKBQQ-PLNGDYQASA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001569716529 961829397 /nfs/dbraw/zinc/82/93/97/961829397.db2.gz SVJGBQGAECJIMM-IIDMSEBBSA-N 0 3 292.467 3.073 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(F)CCCCC2)C1 ZINC001569723360 961841214 /nfs/dbraw/zinc/84/12/14/961841214.db2.gz FTUNSMQUEYAKRR-INIZCTEOSA-N 0 3 296.430 3.063 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001570395775 961955499 /nfs/dbraw/zinc/95/54/99/961955499.db2.gz QGAAMSFLZAEHDT-KGLIPLIRSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)CC(C)C ZINC001570543135 961986056 /nfs/dbraw/zinc/98/60/56/961986056.db2.gz CTPHCDFZJCTISR-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001570897417 962112552 /nfs/dbraw/zinc/11/25/52/962112552.db2.gz QTHZYWLBHIYLDB-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CC1(CC(=O)Nc2ncccc2CN)CCCCC1 ZINC001574881579 962324594 /nfs/dbraw/zinc/32/45/94/962324594.db2.gz LBVRZEBWTKOXQI-UHFFFAOYSA-N 0 3 273.380 3.005 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001574903702 962330855 /nfs/dbraw/zinc/33/08/55/962330855.db2.gz VAOUNNXMJZVASY-JYJNAYRXSA-N 0 3 292.467 3.345 20 30 CGEDHN C=CCCc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC001574920843 962334296 /nfs/dbraw/zinc/33/42/96/962334296.db2.gz LOFSDNDPJPKYIB-OAHLLOKOSA-N 0 3 285.391 3.155 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCC1(CC(C)C)CCC1 ZINC001574903276 962336396 /nfs/dbraw/zinc/33/63/96/962336396.db2.gz NWROPMPYULSWAC-AWEZNQCLSA-N 0 3 266.429 3.003 20 30 CGEDHN N#CCCCOc1cccc(CN2CC(C3CC3)C2)c1 ZINC000589736708 346810030 /nfs/dbraw/zinc/81/00/30/346810030.db2.gz CXNQOFXUEKFVDS-UHFFFAOYSA-N 0 3 270.376 3.211 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCC[C@H]2OC(F)F)c1F ZINC000337428464 214076738 /nfs/dbraw/zinc/07/67/38/214076738.db2.gz UCZFMJIEDKUVOQ-CHWSQXEVSA-N 0 3 298.308 3.337 20 30 CGEDHN CCn1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000350661646 219045681 /nfs/dbraw/zinc/04/56/81/219045681.db2.gz RDFMAHPMZLVCPO-UHFFFAOYSA-N 0 3 296.418 3.433 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccccc2)o1 ZINC000124965624 187163503 /nfs/dbraw/zinc/16/35/03/187163503.db2.gz ZJZKWOPAHCYLAD-HNNXBMFYSA-N 0 3 266.344 3.358 20 30 CGEDHN COc1ccccc1[C@H]1CCCCN1CCOCCC#N ZINC000590160098 346833576 /nfs/dbraw/zinc/83/35/76/346833576.db2.gz JJMKKFGPHBZRMG-MRXNPFEDSA-N 0 3 288.391 3.152 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cn3ccc(C)cc3n2)C1 ZINC000651705489 398271887 /nfs/dbraw/zinc/27/18/87/398271887.db2.gz UXPZGXFYENMHHG-HUUCEWRRSA-N 0 3 269.392 3.477 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000651708047 398272762 /nfs/dbraw/zinc/27/27/62/398272762.db2.gz CWPYFESFVCOMLT-LZWOXQAQSA-N 0 3 272.392 3.348 20 30 CGEDHN Cc1noc(C)c1[C@H](C)NC1CCC(C)(C#N)CC1 ZINC000590646212 346858448 /nfs/dbraw/zinc/85/84/48/346858448.db2.gz IYWRUZNKQMAWDP-KKJMOOEGSA-N 0 3 261.369 3.415 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nccn2CC(C)C)C1 ZINC000651751719 398282702 /nfs/dbraw/zinc/28/27/02/398282702.db2.gz FJKODPNKBNKCEU-LSDHHAIUSA-N 0 3 261.413 3.374 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](CO)c2ccsc2)C1 ZINC000651764824 398284760 /nfs/dbraw/zinc/28/47/60/398284760.db2.gz PRAIZAQISWFNSV-KWCYVHTRSA-N 0 3 251.395 3.116 20 30 CGEDHN COCC[C@@H](NCc1ccccc1C#N)C(C)(C)C ZINC000337944909 214324689 /nfs/dbraw/zinc/32/46/89/214324689.db2.gz QYIMHSSLWJVSHO-OAHLLOKOSA-N 0 3 260.381 3.099 20 30 CGEDHN C=CCOc1ccccc1CN1CCC([C@@H](C)CO)CC1 ZINC000651956474 398312239 /nfs/dbraw/zinc/31/22/39/398312239.db2.gz XYVJDUNVGRNOAX-HNNXBMFYSA-N 0 3 289.419 3.092 20 30 CGEDHN C[C@H](CCC#N)N1CCS[C@H](c2ccccc2)C1 ZINC000591014873 346894481 /nfs/dbraw/zinc/89/44/81/346894481.db2.gz QLTLFMIRLROXLT-HIFRSBDPSA-N 0 3 260.406 3.469 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCO1 ZINC000439459261 529626242 /nfs/dbraw/zinc/62/62/42/529626242.db2.gz VUOXUYNGQYKJNB-GJZGRUSLSA-N 0 3 278.783 3.259 20 30 CGEDHN C=CCC[C@@H](CC)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623233293 349769489 /nfs/dbraw/zinc/76/94/89/349769489.db2.gz UYODZZPEMOWBDC-ZBFHGGJFSA-N 0 3 272.392 3.034 20 30 CGEDHN C=CCCC(C)(C)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000623574900 349839314 /nfs/dbraw/zinc/83/93/14/349839314.db2.gz ADHSSNVTTVGBSG-UHFFFAOYSA-N 0 3 288.370 3.241 20 30 CGEDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ccncc1C#N ZINC000592072541 346960140 /nfs/dbraw/zinc/96/01/40/346960140.db2.gz PQYIJRYFIZQRDJ-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN Cc1cc(C)c([C@H](C)N2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592151566 346967877 /nfs/dbraw/zinc/96/78/77/346967877.db2.gz NPFFZAZEYXPRAB-RDJZCZTQSA-N 0 3 272.392 3.023 20 30 CGEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)CC2(CCCC2)O1 ZINC000592195546 346971544 /nfs/dbraw/zinc/97/15/44/346971544.db2.gz UAGILBYLJWLONH-HNNXBMFYSA-N 0 3 284.403 3.286 20 30 CGEDHN C[C@@H]1CC2(CN1Cc1ccc(C#N)cc1F)CCOCC2 ZINC000592183754 346970253 /nfs/dbraw/zinc/97/02/53/346970253.db2.gz WOGMMUBMEJWIQO-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN CC[C@H](C)C[C@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000592399338 346984702 /nfs/dbraw/zinc/98/47/02/346984702.db2.gz XIZLSFGUWPNDOR-YWPYICTPSA-N 0 3 278.371 3.145 20 30 CGEDHN Cc1ccc(C#N)cc1-c1cccc(OCCN(C)C)c1 ZINC000592984371 347023169 /nfs/dbraw/zinc/02/31/69/347023169.db2.gz PNKYVUPADRTESK-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C[C@@H](CSc1ccccc1)N(C)CCOCCC#N ZINC000593046958 347031953 /nfs/dbraw/zinc/03/19/53/347031953.db2.gz VJXKKARLTDWOCH-AWEZNQCLSA-N 0 3 278.421 3.029 20 30 CGEDHN C[C@@H]1CN(CC2(C#N)CC2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000593048852 347032774 /nfs/dbraw/zinc/03/27/74/347032774.db2.gz KDBXFLXBYNYQBN-ZACQAIPSSA-N 0 3 297.446 3.273 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCC(C2(O)CC2)CC1 ZINC000593051746 347032872 /nfs/dbraw/zinc/03/28/72/347032872.db2.gz VVPZEPWMBBPSST-UHFFFAOYSA-N 0 3 298.430 3.225 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@]2(CC2(F)F)C1 ZINC000593117981 347042144 /nfs/dbraw/zinc/04/21/44/347042144.db2.gz UOZFKOLUCDEXNS-RISCZKNCSA-N 0 3 262.303 3.350 20 30 CGEDHN N#Cc1cccc(NC(=O)CN(C2CC2)C2CCCCC2)c1 ZINC000048008763 345058883 /nfs/dbraw/zinc/05/88/83/345058883.db2.gz CQFYJMKMHABRSW-UHFFFAOYSA-N 0 3 297.402 3.294 20 30 CGEDHN COc1ccccc1OCCN(C)Cc1ccc(C#N)cc1 ZINC000051401221 345090185 /nfs/dbraw/zinc/09/01/85/345090185.db2.gz CDBVXXNDGUVOJV-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN Cc1ccccc1OCCN(C)Cc1ccc(C#N)cc1 ZINC000052710640 345106874 /nfs/dbraw/zinc/10/68/74/345106874.db2.gz ICGHGOBAPHTZSH-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN C[C@H](c1ccco1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000072583583 345413859 /nfs/dbraw/zinc/41/38/59/345413859.db2.gz XZXRZVNVXFJSHT-CYBMUJFWSA-N 0 3 297.358 3.173 20 30 CGEDHN Cc1ncc([C@@H](C)NCCOc2ccc(C#N)cc2)s1 ZINC000090107946 345783455 /nfs/dbraw/zinc/78/34/55/345783455.db2.gz OUTPKHQJTCOYFB-LLVKDONJSA-N 0 3 287.388 3.053 20 30 CGEDHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C ZINC000114473296 345964531 /nfs/dbraw/zinc/96/45/31/345964531.db2.gz QLMTXPAULAYAGA-SNVBAGLBSA-N 0 3 293.798 3.174 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000171716941 346210260 /nfs/dbraw/zinc/21/02/60/346210260.db2.gz UNUFBSIATSMJDY-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN COc1ccc(OC)c([C@@H](C)NCCCSCC#N)c1 ZINC000174112350 346238407 /nfs/dbraw/zinc/23/84/07/346238407.db2.gz FJZYULYJGBECDQ-GFCCVEGCSA-N 0 3 294.420 3.001 20 30 CGEDHN Cc1cc(C)n(-c2ccc(CN3CCC(C#N)CC3)cc2)n1 ZINC000195310868 346273351 /nfs/dbraw/zinc/27/33/51/346273351.db2.gz KAPREPQXUYGIJE-UHFFFAOYSA-N 0 3 294.402 3.225 20 30 CGEDHN N#CCCCOc1cccc(CNC[C@H]2CCCCO2)c1 ZINC000237819964 346346867 /nfs/dbraw/zinc/34/68/67/346346867.db2.gz QSTDZWULHHICNZ-QGZVFWFLSA-N 0 3 288.391 3.028 20 30 CGEDHN COC[C@H](CC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000593595237 347092955 /nfs/dbraw/zinc/09/29/55/347092955.db2.gz LHZAMOKXERRMQO-AWEZNQCLSA-N 0 3 278.371 3.238 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC2(CCC2)CC1 ZINC000308747732 346467926 /nfs/dbraw/zinc/46/79/26/346467926.db2.gz GNDWTYYCDFGMDE-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NCC2(C#N)CCCC2)CS1 ZINC000593654787 347101074 /nfs/dbraw/zinc/10/10/74/347101074.db2.gz OHNBZFAQCWCTFT-STQMWFEESA-N 0 3 252.427 3.190 20 30 CGEDHN CCOc1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC000399202865 346587465 /nfs/dbraw/zinc/58/74/65/346587465.db2.gz UTSILPJCFLJTLW-UHFFFAOYSA-N 0 3 280.371 3.441 20 30 CGEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)[C@H](CC)CO1 ZINC000403870164 346598351 /nfs/dbraw/zinc/59/83/51/346598351.db2.gz LCDLQSQXVVVAEP-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN CS[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449446778 346619428 /nfs/dbraw/zinc/61/94/28/346619428.db2.gz TXTJLMHHGLGQPD-MRXNPFEDSA-N 0 3 290.432 3.306 20 30 CGEDHN CCCCCCCCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000584650052 346704336 /nfs/dbraw/zinc/70/43/36/346704336.db2.gz WVGNKXQOEKWYAR-HNNXBMFYSA-N 0 3 283.460 3.083 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)N(CC1CCC1)c1ccccc1 ZINC000594433100 347174594 /nfs/dbraw/zinc/17/45/94/347174594.db2.gz LPCQFURLDZOLTF-KRWDZBQOSA-N 0 3 299.418 3.231 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCCOCC2CCC2)cc1 ZINC000594498812 347179550 /nfs/dbraw/zinc/17/95/50/347179550.db2.gz AMAKNTUOFPSMHE-UHFFFAOYSA-N 0 3 286.419 3.394 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)cc1F ZINC000594509749 347182257 /nfs/dbraw/zinc/18/22/57/347182257.db2.gz MDBNQQSKJYQVTL-IRXDYDNUSA-N 0 3 288.366 3.135 20 30 CGEDHN Cc1cc(CNC[C@H]2C(C)(C)C2(F)F)ccc1C#N ZINC000594991928 347251170 /nfs/dbraw/zinc/25/11/70/347251170.db2.gz NTNANNGPRHHZNG-ZDUSSCGKSA-N 0 3 264.319 3.248 20 30 CGEDHN CC(C)[C@H](O)[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000594992476 347251427 /nfs/dbraw/zinc/25/14/27/347251427.db2.gz SIMUJEIOGSDBMN-OALUTQOASA-N 0 3 294.398 3.406 20 30 CGEDHN Cc1cc(CNC[C@@H](O)[C@H](C)c2ccccc2)ccc1C#N ZINC000595000542 347252792 /nfs/dbraw/zinc/25/27/92/347252792.db2.gz LAWROXLRYUVTGD-DNVCBOLYSA-N 0 3 294.398 3.121 20 30 CGEDHN Cc1cc(CNC[C@H](O)[C@@H](C)c2ccccc2)ccc1C#N ZINC000595000544 347252804 /nfs/dbraw/zinc/25/28/04/347252804.db2.gz LAWROXLRYUVTGD-KXBFYZLASA-N 0 3 294.398 3.121 20 30 CGEDHN Cc1ccc2cc(CNCC3(CC#N)CC3)[nH]c2c1 ZINC000594936368 347234921 /nfs/dbraw/zinc/23/49/21/347234921.db2.gz JZWVGIRIUYLHBT-UHFFFAOYSA-N 0 3 253.349 3.260 20 30 CGEDHN C=CCCSCCNCc1cccc(OCC)c1 ZINC000594959988 347241330 /nfs/dbraw/zinc/24/13/30/347241330.db2.gz HMHAEEOVUSDDIW-UHFFFAOYSA-N 0 3 265.422 3.484 20 30 CGEDHN C=CCCSCCNCc1cc2cccnc2o1 ZINC000594960485 347241863 /nfs/dbraw/zinc/24/18/63/347241863.db2.gz RGZPXYLEIXGHNC-UHFFFAOYSA-N 0 3 262.378 3.227 20 30 CGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCCCC2)CS1 ZINC000594982171 347248563 /nfs/dbraw/zinc/24/85/63/347248563.db2.gz ZZRIBFSBOSMQSQ-OLZOCXBDSA-N 0 3 252.427 3.334 20 30 CGEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000594981613 347248693 /nfs/dbraw/zinc/24/86/93/347248693.db2.gz RZXVFZDQMJNVHM-BTTYYORXSA-N 0 3 250.386 3.006 20 30 CGEDHN C=CCCC1(CNC(=O)[C@@H](N)CCCCC#N)CCCC1 ZINC000595256508 347285900 /nfs/dbraw/zinc/28/59/00/347285900.db2.gz MPXSJIUEXYXABD-HNNXBMFYSA-N 0 3 291.439 3.040 20 30 CGEDHN CC(C)COC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595294200 347288701 /nfs/dbraw/zinc/28/87/01/347288701.db2.gz WNLHDYGCCARGPV-UHFFFAOYSA-N 0 3 286.419 3.238 20 30 CGEDHN CO[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000595408829 347299562 /nfs/dbraw/zinc/29/95/62/347299562.db2.gz TZZFVAZWMKWJND-IBGZPJMESA-N 0 3 296.414 3.462 20 30 CGEDHN C=CCCSCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000595060984 347274527 /nfs/dbraw/zinc/27/45/27/347274527.db2.gz WXUMBSNLTWCJKL-INIZCTEOSA-N 0 3 272.417 3.444 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000595061059 347274790 /nfs/dbraw/zinc/27/47/90/347274790.db2.gz XVZMDUWNVOGQKR-NSHDSACASA-N 0 3 299.461 3.495 20 30 CGEDHN C[C@@H](COc1c(F)cccc1F)N[C@H]1CC[C@@H](C#N)C1 ZINC000595071887 347277585 /nfs/dbraw/zinc/27/75/85/347277585.db2.gz CEJDQGLEJRAXPF-TUAOUCFPSA-N 0 3 280.318 3.014 20 30 CGEDHN CC[C@@H](C)N(CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595600144 347324355 /nfs/dbraw/zinc/32/43/55/347324355.db2.gz MQBGNKOGJXQKOC-LLVKDONJSA-N 0 3 261.325 3.087 20 30 CGEDHN N#CC[C@@H]1CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000595613372 347327671 /nfs/dbraw/zinc/32/76/71/347327671.db2.gz CEEKRHSHGFMSKH-BLLLJJGKSA-N 0 3 258.340 3.439 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000595657720 347334114 /nfs/dbraw/zinc/33/41/14/347334114.db2.gz BBBHHRPIOHSBBF-ZDUSSCGKSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000595659950 347334313 /nfs/dbraw/zinc/33/43/13/347334313.db2.gz OKSJOOUDYRUKEL-AWEZNQCLSA-N 0 3 270.376 3.355 20 30 CGEDHN CC(C)[C@H](NCCOCCC#N)c1ccccc1F ZINC000595686736 347337517 /nfs/dbraw/zinc/33/75/17/347337517.db2.gz ARVHULSMTYPBRC-HNNXBMFYSA-N 0 3 264.344 3.043 20 30 CGEDHN C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1CCO ZINC000595703526 347342162 /nfs/dbraw/zinc/34/21/62/347342162.db2.gz TWLUUKBZYHNNSA-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN CCC1(CC)CCCN(Cc2ccnc(C#N)c2)C1 ZINC000595751537 347349365 /nfs/dbraw/zinc/34/93/65/347349365.db2.gz FAWYPDYMVLLBLG-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN CC[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595783824 347355165 /nfs/dbraw/zinc/35/51/65/347355165.db2.gz PDIRADXJWKTBAB-CHWSQXEVSA-N 0 3 287.363 3.477 20 30 CGEDHN CC(C)N1CCCC[C@H]1COc1ccccc1C#N ZINC000596236862 347402163 /nfs/dbraw/zinc/40/21/63/347402163.db2.gz NDWVMXMPWAVPFF-HNNXBMFYSA-N 0 3 258.365 3.200 20 30 CGEDHN N#Cc1cc(CN2CCCC[C@H]2CC2CCC2)ccn1 ZINC000595873380 347369072 /nfs/dbraw/zinc/36/90/72/347369072.db2.gz ZZQUSVLDQWFBCY-KRWDZBQOSA-N 0 3 269.392 3.498 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@@H]2CC2CCC2)nc1 ZINC000595869490 347369357 /nfs/dbraw/zinc/36/93/57/347369357.db2.gz AYXGDFADDOTAGK-QGZVFWFLSA-N 0 3 269.392 3.498 20 30 CGEDHN CCN(CCOc1ccccc1OC)[C@@H]1CC[C@@H](C#N)C1 ZINC000595884553 347370056 /nfs/dbraw/zinc/37/00/56/347370056.db2.gz HVABWGMSQQNBOV-HUUCEWRRSA-N 0 3 288.391 3.088 20 30 CGEDHN COCC1(NCc2ccc(F)c(C#N)c2)CCCCC1 ZINC000595909796 347371938 /nfs/dbraw/zinc/37/19/38/347371938.db2.gz DMFFQCLBTXODRZ-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000597156405 347541719 /nfs/dbraw/zinc/54/17/19/347541719.db2.gz ZNSARDIAYCFNPO-RYQLBKOJSA-N 0 3 282.387 3.093 20 30 CGEDHN COC(=O)c1ccc(CNCC(C)(C)CCC#N)c(F)c1 ZINC000597223566 347556896 /nfs/dbraw/zinc/55/68/96/347556896.db2.gz ZAKKLZMFZVWQMA-UHFFFAOYSA-N 0 3 292.354 3.032 20 30 CGEDHN CC1(C#N)CCC(N[C@@H](CO)c2ccc(F)cc2F)CC1 ZINC000597235691 347561039 /nfs/dbraw/zinc/56/10/39/347561039.db2.gz JPAUPPXBRCXHNX-NRAUKZCXSA-N 0 3 294.345 3.060 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000597945406 347607638 /nfs/dbraw/zinc/60/76/38/347607638.db2.gz ROIOETUVVABPDZ-LRDDRELGSA-N 0 3 290.794 3.423 20 30 CGEDHN CC(C)CC[C@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000599067705 347713236 /nfs/dbraw/zinc/71/32/36/347713236.db2.gz HGEHKHGMYBVZPR-IUODEOHRSA-N 0 3 278.371 3.145 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592119 347667399 /nfs/dbraw/zinc/66/73/99/347667399.db2.gz FXHOANYYHBMFPA-KGLIPLIRSA-N 0 3 276.380 3.026 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599641336 347761752 /nfs/dbraw/zinc/76/17/52/347761752.db2.gz NJYRMFSNMDBPPJ-AWEZNQCLSA-N 0 3 288.395 3.039 20 30 CGEDHN Cc1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1C#N ZINC000599283931 347731439 /nfs/dbraw/zinc/73/14/39/347731439.db2.gz HYBLBPNNMYJVAI-SFHVURJKSA-N 0 3 280.371 3.032 20 30 CGEDHN CCO[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000599342744 347737414 /nfs/dbraw/zinc/73/74/14/347737414.db2.gz UPGUBABFXIRYDO-LJQANCHMSA-N 0 3 296.414 3.462 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1C#N ZINC000599352583 347738024 /nfs/dbraw/zinc/73/80/24/347738024.db2.gz DHJOPPQHPICXPJ-IAGOWNOFSA-N 0 3 286.419 3.096 20 30 CGEDHN Cc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1C#N ZINC000599425447 347742804 /nfs/dbraw/zinc/74/28/04/347742804.db2.gz HQEMYHFCAIGNIF-GOSISDBHSA-N 0 3 284.403 3.115 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)ccc2F)C1 ZINC000599528772 347751433 /nfs/dbraw/zinc/75/14/33/347751433.db2.gz HHDCGHGGRPMEJS-LBPRGKRZSA-N 0 3 277.339 3.010 20 30 CGEDHN N#Cc1ccccc1OCCN1CCCC(F)(F)CC1 ZINC000599550896 347753742 /nfs/dbraw/zinc/75/37/42/347753742.db2.gz DKECHPVPPBBSAN-UHFFFAOYSA-N 0 3 280.318 3.058 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cccc(C(=O)OCC)n2)C1 ZINC000600180176 347789821 /nfs/dbraw/zinc/78/98/21/347789821.db2.gz HRJQGXBCXDVULR-CQSZACIVSA-N 0 3 288.391 3.046 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000601285023 347888804 /nfs/dbraw/zinc/88/88/04/347888804.db2.gz LRLLXKLKZKWDKL-DZUCGIPZSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@H](NC[C@@H]1CC(C)(C)CO1)c1ccc(C#N)cc1 ZINC000601942378 347927338 /nfs/dbraw/zinc/92/73/38/347927338.db2.gz SONKWCYWGLRDOI-WFASDCNBSA-N 0 3 258.365 3.024 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@]12C[C@H]1CCCC2 ZINC000601768343 347911519 /nfs/dbraw/zinc/91/15/19/347911519.db2.gz ASPWBDYIPWUTPV-LZLYRXPVSA-N 0 3 282.387 3.208 20 30 CGEDHN C[C@H](CCC#N)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602438502 347958257 /nfs/dbraw/zinc/95/82/57/347958257.db2.gz DTQMHKPMFUGHTD-CYBMUJFWSA-N 0 3 287.363 3.499 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cccc(C#N)n1 ZINC000602473182 347964133 /nfs/dbraw/zinc/96/41/33/347964133.db2.gz LNQCXSLLUMWZGL-GDBMZVCRSA-N 0 3 277.371 3.331 20 30 CGEDHN Cc1ccc(NC[C@H](C)CCC#N)c(OCCN(C)C)c1 ZINC000602500285 347970941 /nfs/dbraw/zinc/97/09/41/347970941.db2.gz XDJHGORZNMCONG-OAHLLOKOSA-N 0 3 289.423 3.287 20 30 CGEDHN C[C@@H](CCC#N)CNCc1cc(-c2ccccc2)on1 ZINC000602525024 347976006 /nfs/dbraw/zinc/97/60/06/347976006.db2.gz CWVXRHIZAMOYBE-ZDUSSCGKSA-N 0 3 269.348 3.371 20 30 CGEDHN CCOCCC1(CNCc2cccc(C#N)n2)CCCC1 ZINC000602567817 347984056 /nfs/dbraw/zinc/98/40/56/347984056.db2.gz LDLZMPNMUQQZKH-UHFFFAOYSA-N 0 3 287.407 3.030 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000602573141 347985780 /nfs/dbraw/zinc/98/57/80/347985780.db2.gz OTPZKJDALKOIAI-VXGBXAGGSA-N 0 3 297.324 3.412 20 30 CGEDHN CC[C@](C)(CN[C@H](CCC#N)c1ccccc1)OC ZINC000602584016 347988937 /nfs/dbraw/zinc/98/89/37/347988937.db2.gz VWTPMPLPCIPDEB-HZPDHXFCSA-N 0 3 260.381 3.436 20 30 CGEDHN C[C@H](C#N)CN[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602607474 347993087 /nfs/dbraw/zinc/99/30/87/347993087.db2.gz LBCGKHVMNNVYRB-UWWQBHOKSA-N 0 3 283.419 3.104 20 30 CGEDHN CC(C)C1(C)CCN(Cc2cccc(C#N)n2)CC1 ZINC000602625098 347996121 /nfs/dbraw/zinc/99/61/21/347996121.db2.gz XOECFQUFEAAIEX-UHFFFAOYSA-N 0 3 257.381 3.211 20 30 CGEDHN N#CCC1(CN(CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000602783079 348028511 /nfs/dbraw/zinc/02/85/11/348028511.db2.gz XYDVKRXZVKNKKF-SFHVURJKSA-N 0 3 298.430 3.442 20 30 CGEDHN C[C@@H](NCC1(C#N)CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000602699902 348012973 /nfs/dbraw/zinc/01/29/73/348012973.db2.gz TUJOWDOBZBQCLS-KBMXLJTQSA-N 0 3 254.377 3.462 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](C3CCCCC3)C2)n1 ZINC000602708706 348014028 /nfs/dbraw/zinc/01/40/28/348014028.db2.gz KTLMUMZGPFBWKU-OAHLLOKOSA-N 0 3 269.392 3.355 20 30 CGEDHN N#Cc1cc(F)cc(NC2CCN(c3ccncc3)CC2)c1 ZINC000602725987 348018485 /nfs/dbraw/zinc/01/84/85/348018485.db2.gz SPVUNZWEVPMRTF-UHFFFAOYSA-N 0 3 296.349 3.173 20 30 CGEDHN C[C@H](CCC#N)CNCc1nc(C(C)(C)C)cs1 ZINC000602541507 347978101 /nfs/dbraw/zinc/97/81/01/347978101.db2.gz PSQDYUDSRJXLBN-LLVKDONJSA-N 0 3 265.426 3.470 20 30 CGEDHN COc1ccc(C(C)(C)CNCc2cccc(C#N)n2)cc1 ZINC000602546850 347978871 /nfs/dbraw/zinc/97/88/71/347978871.db2.gz YFNLMDBCEDUMDZ-UHFFFAOYSA-N 0 3 295.386 3.029 20 30 CGEDHN Cc1ncc([C@@H](C)NCCOc2ccccc2C#N)s1 ZINC000602954407 348046925 /nfs/dbraw/zinc/04/69/25/348046925.db2.gz DAHUVRWNGIOYIB-LLVKDONJSA-N 0 3 287.388 3.053 20 30 CGEDHN CN(C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602981900 348050921 /nfs/dbraw/zinc/05/09/21/348050921.db2.gz KYVCRFACQOPWIA-LUKYLMHMSA-N 0 3 254.377 3.414 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000606902659 348206611 /nfs/dbraw/zinc/20/66/11/348206611.db2.gz IPWUUEPHLGDQBD-HOTGVXAUSA-N 0 3 280.456 3.454 20 30 CGEDHN C=CCN1CCC(Nc2nccc3sccc32)CC1 ZINC000608085403 348283659 /nfs/dbraw/zinc/28/36/59/348283659.db2.gz WIQFUAFACUYWPR-UHFFFAOYSA-N 0 3 273.405 3.359 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000609920509 348357680 /nfs/dbraw/zinc/35/76/80/348357680.db2.gz NMQFLINPYRERQZ-QMTHXVAHSA-N 0 3 288.347 3.252 20 30 CGEDHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccnc(C#N)c1 ZINC000610993443 348416777 /nfs/dbraw/zinc/41/67/77/348416777.db2.gz SOFMUTBGJUSVAE-WMLDXEAASA-N 0 3 277.371 3.331 20 30 CGEDHN COCCN(Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000610719261 348398872 /nfs/dbraw/zinc/39/88/72/348398872.db2.gz LMDAQYPHOBONLV-UHFFFAOYSA-N 0 3 276.355 3.088 20 30 CGEDHN Cc1ccc([C@H](C)NCc2cccc(C#N)c2)c(C)n1 ZINC000611300158 348436556 /nfs/dbraw/zinc/43/65/56/348436556.db2.gz QIGQCGKEWZMRGT-ZDUSSCGKSA-N 0 3 265.360 3.421 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350561 348441031 /nfs/dbraw/zinc/44/10/31/348441031.db2.gz QNTZYOZLFHCSMO-ZWKOTPCHSA-N 0 3 284.403 3.197 20 30 CGEDHN CN(C)c1cccc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000611395991 348446457 /nfs/dbraw/zinc/44/64/57/348446457.db2.gz UJJUHHUUGCXDCU-UHFFFAOYSA-N 0 3 291.398 3.403 20 30 CGEDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000612090068 348492994 /nfs/dbraw/zinc/49/29/94/348492994.db2.gz TWHYDSAYZFJUNH-SFHVURJKSA-N 0 3 294.402 3.132 20 30 CGEDHN CC(C)(C)c1ccc(C#N)c(N[C@H]2CCN(CC3CC3)C2)n1 ZINC000613423162 348599762 /nfs/dbraw/zinc/59/97/62/348599762.db2.gz UHKVZOHDPAKVNV-HNNXBMFYSA-N 0 3 298.434 3.147 20 30 CGEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1nc(C(C)(C)C)ccc1C#N ZINC000613429516 348601966 /nfs/dbraw/zinc/60/19/66/348601966.db2.gz MFOLMHMUCNKADS-IUODEOHRSA-N 0 3 298.434 3.145 20 30 CGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCC(C)(C)C#N)CC3 ZINC000613145729 348568708 /nfs/dbraw/zinc/56/87/08/348568708.db2.gz FEJJXRIPCBJLFC-ZDUSSCGKSA-N 0 3 281.403 3.473 20 30 CGEDHN Cc1cc(C2CCN(Cc3ccc(C#N)cc3C)CC2)n[nH]1 ZINC000614403160 348673605 /nfs/dbraw/zinc/67/36/05/348673605.db2.gz ICVCGSCPVQISSC-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN Cc1cc(C2CCN(Cc3ccc(C#N)cc3C)CC2)[nH]n1 ZINC000614403160 348673609 /nfs/dbraw/zinc/67/36/09/348673609.db2.gz ICVCGSCPVQISSC-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000617781938 349010799 /nfs/dbraw/zinc/01/07/99/349010799.db2.gz VVJXYKACEHLESC-NVXWUHKLSA-N 0 3 290.451 3.208 20 30 CGEDHN C[C@H](NCCN1CCCCCC1)c1ccc(C#N)cc1F ZINC000358580620 233159637 /nfs/dbraw/zinc/15/96/37/233159637.db2.gz YKECMFLWILABFK-AWEZNQCLSA-N 0 3 289.398 3.224 20 30 CGEDHN CC(C)n1cc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000618568481 349107257 /nfs/dbraw/zinc/10/72/57/349107257.db2.gz WRRSODCWNOMTDM-GZBFAFLISA-N 0 3 260.385 3.197 20 30 CGEDHN COc1ccc(CN(C)C)cc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000618574732 349109812 /nfs/dbraw/zinc/10/98/12/349109812.db2.gz IROAAALKEXUIFE-UKRRQHHQSA-N 0 3 287.407 3.251 20 30 CGEDHN Cc1ccc(NC[C@@H](C)CCC#N)c(CN(C)C)c1 ZINC000618887526 349175235 /nfs/dbraw/zinc/17/52/35/349175235.db2.gz ARMGCCYATDLGOX-AWEZNQCLSA-N 0 3 259.397 3.408 20 30 CGEDHN C=CC[C@@H]1CCN(CCOc2ccccc2C(C)=O)C1 ZINC000625701133 350198409 /nfs/dbraw/zinc/19/84/09/350198409.db2.gz NLMUSOYTBQDTJE-OAHLLOKOSA-N 0 3 273.376 3.166 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cn3c(cccc3C)n2)C1 ZINC000625704022 350201113 /nfs/dbraw/zinc/20/11/13/350201113.db2.gz RCSNTUBALKFAHK-CQSZACIVSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CC[C@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000626263551 350289538 /nfs/dbraw/zinc/28/95/38/350289538.db2.gz BHGBADOEKKFSFQ-AWEZNQCLSA-N 0 3 287.407 3.178 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccnn2-c2ccccc2)C1 ZINC000628406288 350529727 /nfs/dbraw/zinc/52/97/27/350529727.db2.gz GPLYKFUKTCMSFD-HNNXBMFYSA-N 0 3 267.376 3.270 20 30 CGEDHN C=CC[C@H]1CCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000628485808 350554670 /nfs/dbraw/zinc/55/46/70/350554670.db2.gz UNYGBNMMCOVYBL-INIZCTEOSA-N 0 3 298.430 3.321 20 30 CGEDHN C=C(C)COc1cc(CN(C)C2CC2)ccc1OC ZINC000153799737 188104120 /nfs/dbraw/zinc/10/41/20/188104120.db2.gz ATKZXWNGVWMJGB-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN N#CCCCN[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000346836524 283051460 /nfs/dbraw/zinc/05/14/60/283051460.db2.gz PYDPBHSMROJRPW-MRXNPFEDSA-N 0 3 270.376 3.282 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2N2CCCCC2)C1 ZINC000349826311 283059528 /nfs/dbraw/zinc/05/95/28/283059528.db2.gz AVPUBGPHWVDZDX-WBVHZDCISA-N 0 3 283.419 3.459 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC3(CC2)OCCc2ccccc23)C1 ZINC000334643976 283066197 /nfs/dbraw/zinc/06/61/97/283066197.db2.gz ABUAZCSEECSEOZ-DOTOQJQBSA-N 0 3 296.414 3.243 20 30 CGEDHN N#C[C@H]1CC[C@H](N2Cc3ccccc3C3(CC3)C2)C1 ZINC000336573655 283067427 /nfs/dbraw/zinc/06/74/27/283067427.db2.gz VCKBYBNXNXQKGP-ZFWWWQNUSA-N 0 3 252.361 3.226 20 30 CGEDHN CO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C12CCC2 ZINC000414169120 235352559 /nfs/dbraw/zinc/35/25/59/235352559.db2.gz AYAPUILQPRZOBG-XFBWCDHKSA-N 0 3 288.366 3.306 20 30 CGEDHN C[C@H](NC[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(C#N)cc1F ZINC000414265794 235376198 /nfs/dbraw/zinc/37/61/98/235376198.db2.gz RNYGCZHUAFAYHU-GFQSEFKGSA-N 0 3 276.355 3.161 20 30 CGEDHN C=CCOc1cccc(CN2CCC(COC)CC2)c1 ZINC000119294281 370663244 /nfs/dbraw/zinc/66/32/44/370663244.db2.gz LXOYSJLHMPUIEY-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(C#N)cc1 ZINC000093492264 138346029 /nfs/dbraw/zinc/34/60/29/138346029.db2.gz LNCWCNMBSJPRAE-NSHDSACASA-N 0 3 267.357 3.342 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)c1ccccc1 ZINC000421336037 235801297 /nfs/dbraw/zinc/80/12/97/235801297.db2.gz VJFWNOCYXQIQDL-CQSZACIVSA-N 0 3 297.377 3.312 20 30 CGEDHN C[C@H](NCCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000177470475 189053592 /nfs/dbraw/zinc/05/35/92/189053592.db2.gz NEQYCZXIZBMUIT-HNNXBMFYSA-N 0 3 280.371 3.426 20 30 CGEDHN CC1(C)C[C@@H](NCc2ccc(C#N)cc2F)C(C)(C)O1 ZINC000177860825 189074907 /nfs/dbraw/zinc/07/49/07/189074907.db2.gz OQIOQXZRNVDOLH-CQSZACIVSA-N 0 3 276.355 3.133 20 30 CGEDHN CCCC[C@@H](COC)N[C@H](C)c1cccc(C#N)c1 ZINC000178178414 189095419 /nfs/dbraw/zinc/09/54/19/189095419.db2.gz VCHINJWUUQROTB-CJNGLKHVSA-N 0 3 260.381 3.414 20 30 CGEDHN CC[C@@H](CNCc1ccc(C#N)o1)Oc1cccc(C)c1 ZINC000178613681 189131046 /nfs/dbraw/zinc/13/10/46/189131046.db2.gz UHUJKFVTBQOOTR-AWEZNQCLSA-N 0 3 284.359 3.407 20 30 CGEDHN C[C@H](NC[C@H](O)c1ccsc1)c1ccc(C#N)cc1 ZINC000181785889 189306415 /nfs/dbraw/zinc/30/64/15/189306415.db2.gz PPAPABNGBMLNAL-NHYWBVRUSA-N 0 3 272.373 3.004 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N(C)CC[C@@H]1CCCCN1C ZINC000302103715 201342796 /nfs/dbraw/zinc/34/27/96/201342796.db2.gz MJTDXCFEPWIPMW-INIZCTEOSA-N 0 3 299.418 3.071 20 30 CGEDHN C=CCCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000337282980 376190192 /nfs/dbraw/zinc/19/01/92/376190192.db2.gz XRJBYLQFKLUOBU-ZDUSSCGKSA-N 0 3 280.362 3.220 20 30 CGEDHN N#Cc1cc(CN2CCC[C@]3(CCSC3)C2)ccc1F ZINC000451982995 240391814 /nfs/dbraw/zinc/39/18/14/240391814.db2.gz UMIWBTCIEIVMAK-INIZCTEOSA-N 0 3 290.407 3.416 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000452010335 240393370 /nfs/dbraw/zinc/39/33/70/240393370.db2.gz FAWSUIMJMJVVHM-DAXOMENPSA-N 0 3 258.365 3.166 20 30 CGEDHN COc1ccccc1CCN(C)Cc1cccc(C#N)c1 ZINC000353287976 220008092 /nfs/dbraw/zinc/00/80/92/220008092.db2.gz UBMMUBGBJZSJLZ-UHFFFAOYSA-N 0 3 280.371 3.241 20 30 CGEDHN Cc1ccnc(NC[C@H](c2ccc(F)cc2)N(C)C)c1C#N ZINC000343470047 216785108 /nfs/dbraw/zinc/78/51/08/216785108.db2.gz CGGXXQLJPPBHED-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000124054667 370918480 /nfs/dbraw/zinc/91/84/80/370918480.db2.gz YLTMIYSSMAMCHW-AWEZNQCLSA-N 0 3 266.429 3.064 20 30 CGEDHN C=C(C)COCCNCc1ccccc1OC(C)C ZINC000125794191 370941919 /nfs/dbraw/zinc/94/19/19/370941919.db2.gz NDSNRZYZHKZCNV-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000026468483 368859935 /nfs/dbraw/zinc/85/99/35/368859935.db2.gz MAQGNGTVHUTXTJ-CZUORRHYSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CCC ZINC000037800155 369115829 /nfs/dbraw/zinc/11/58/29/369115829.db2.gz XHWJJWJCNNTJNB-LLVKDONJSA-N 0 3 286.828 3.044 20 30 CGEDHN C=CCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000039389891 369151178 /nfs/dbraw/zinc/15/11/78/369151178.db2.gz AIYXAYRSGWKCSA-UHFFFAOYSA-N 0 3 260.312 3.332 20 30 CGEDHN Cc1ccccc1CN(C)Cc1cccc(C#N)c1 ZINC000042267122 369209397 /nfs/dbraw/zinc/20/93/97/369209397.db2.gz QOPXHCGGKCBRIM-UHFFFAOYSA-N 0 3 250.345 3.499 20 30 CGEDHN C[C@@H](NCCOc1ccccc1)c1ccc(C#N)cc1 ZINC000042895589 369237137 /nfs/dbraw/zinc/23/71/37/369237137.db2.gz WVJFFSBYQYZVFU-CQSZACIVSA-N 0 3 266.344 3.288 20 30 CGEDHN Cc1cccc(OCCNCc2ccc(C#N)cc2F)c1 ZINC000042896387 369237275 /nfs/dbraw/zinc/23/72/75/369237275.db2.gz ZSLJJTLFNHPFQA-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN CN(C/C=C\c1ccncc1)Cc1cccc(C#N)c1 ZINC000495083136 244354417 /nfs/dbraw/zinc/35/44/17/244354417.db2.gz YDUYKQWWTNVYFA-UTCJRWHESA-N 0 3 263.344 3.098 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1ncccc1C#N)C(C)C ZINC000058648570 369572402 /nfs/dbraw/zinc/57/24/02/369572402.db2.gz ZQUNZSWLWAGGLJ-MRXNPFEDSA-N 0 3 284.407 3.064 20 30 CGEDHN CCOc1cc(CNCc2cccc(C#N)c2)ccc1OC ZINC000073870142 369867064 /nfs/dbraw/zinc/86/70/64/369867064.db2.gz UWTGMELXXFCSDC-UHFFFAOYSA-N 0 3 296.370 3.255 20 30 CGEDHN C=CCOc1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000077467988 369946803 /nfs/dbraw/zinc/94/68/03/369946803.db2.gz DRNQGGBXXPHFLR-LJQANCHMSA-N 0 3 297.398 3.465 20 30 CGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCCC#N ZINC000102400467 370304301 /nfs/dbraw/zinc/30/43/01/370304301.db2.gz XVDYTNAVIUOEKY-ZIAGYGMSSA-N 0 3 295.427 3.058 20 30 CGEDHN C=CCN1CCC(NC(=O)c2scc(C)c2Cl)CC1 ZINC000277236079 193594073 /nfs/dbraw/zinc/59/40/73/193594073.db2.gz JWQZIIPIJJETRU-UHFFFAOYSA-N 0 3 298.839 3.090 20 30 CGEDHN CC(C)[C@@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000117347673 370587688 /nfs/dbraw/zinc/58/76/88/370587688.db2.gz UQVUYOSVFGYJSO-INIZCTEOSA-N 0 3 285.391 3.007 20 30 CGEDHN CC[C@H](O)[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000130349610 371027291 /nfs/dbraw/zinc/02/72/91/371027291.db2.gz NCHLIRLAWQUZHS-IRXDYDNUSA-N 0 3 291.822 3.317 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C)[C@H]1C ZINC000130453271 371035119 /nfs/dbraw/zinc/03/51/19/371035119.db2.gz HZZGQQGAAFHHTR-QWHCGFSZSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCCN(CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000132680408 371194029 /nfs/dbraw/zinc/19/40/29/371194029.db2.gz ZVBCKBHSLPGQMU-CQSZACIVSA-N 0 3 260.381 3.302 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000133200787 371235666 /nfs/dbraw/zinc/23/56/66/371235666.db2.gz YJRLSVLONUGXTL-CHWSQXEVSA-N 0 3 297.402 3.316 20 30 CGEDHN C=CCN(CCOc1ccccc1Cl)C1CC1 ZINC000537852471 376204611 /nfs/dbraw/zinc/20/46/11/376204611.db2.gz BTARILWIMZGYBC-UHFFFAOYSA-N 0 3 251.757 3.369 20 30 CGEDHN C[C@](CO)(NCC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000151341750 371593676 /nfs/dbraw/zinc/59/36/76/371593676.db2.gz MRHZDBOFSCASKP-GOSISDBHSA-N 0 3 289.394 3.098 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C)ccn1 ZINC000287618796 371682458 /nfs/dbraw/zinc/68/24/58/371682458.db2.gz SUPQZDFBKDFTQK-YCPHGPKFSA-N 0 3 260.381 3.022 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000289328454 371755247 /nfs/dbraw/zinc/75/52/47/371755247.db2.gz UPCYOMSTGMJBFO-ZWKOTPCHSA-N 0 3 295.382 3.349 20 30 CGEDHN C#C[C@@H](N[C@H](C)CC(=O)Nc1ccc(C)cc1C)C(C)C ZINC000289335037 371755637 /nfs/dbraw/zinc/75/56/37/371755637.db2.gz HDMMLXKFMRELQJ-HZPDHXFCSA-N 0 3 286.419 3.268 20 30 CGEDHN CC#CCCN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000155029226 371899198 /nfs/dbraw/zinc/89/91/98/371899198.db2.gz RRYBDWZYDIGLTA-MRXNPFEDSA-N 0 3 273.376 3.254 20 30 CGEDHN CN(Cc1ccc(C#N)o1)C1CCC(F)(F)CC1 ZINC000290189107 371928493 /nfs/dbraw/zinc/92/84/93/371928493.db2.gz OLJIKEGWTKESIB-UHFFFAOYSA-N 0 3 254.280 3.161 20 30 CGEDHN CC#CCCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000155982153 371956808 /nfs/dbraw/zinc/95/68/08/371956808.db2.gz PXKSFACLCZSYBR-GOSISDBHSA-N 0 3 271.404 3.124 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccccc2C)n1 ZINC000160088655 372210889 /nfs/dbraw/zinc/21/08/89/372210889.db2.gz UCXDVRRYULCSEO-LLVKDONJSA-N 0 3 271.345 3.006 20 30 CGEDHN CCOC1(CNCc2ccc(OC)c(C#N)c2)CCCC1 ZINC000293104921 372300817 /nfs/dbraw/zinc/30/08/17/372300817.db2.gz XZMNXYJMHMKHOA-UHFFFAOYSA-N 0 3 288.391 3.006 20 30 CGEDHN COCC(C)(C)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000429232390 372326168 /nfs/dbraw/zinc/32/61/68/372326168.db2.gz KCXWETVBVVWQAG-UHFFFAOYSA-N 0 3 299.336 3.414 20 30 CGEDHN C=CCOc1ccc(CN(C)C(C)(C)COC)cc1 ZINC000430114767 372384623 /nfs/dbraw/zinc/38/46/23/372384623.db2.gz TVQZOTHOOTZMJS-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCC1(CC#N)CC1 ZINC000430735144 372394149 /nfs/dbraw/zinc/39/41/49/372394149.db2.gz PFBBBTXFRQFESQ-XHDPSFHLSA-N 0 3 258.340 3.342 20 30 CGEDHN CN(Cc1ccco1)C(=O)C(C#N)CCc1ccccc1 ZINC000433111538 372582517 /nfs/dbraw/zinc/58/25/17/372582517.db2.gz VDQHVYMFOBKMPV-HNNXBMFYSA-N 0 3 282.343 3.011 20 30 CGEDHN CN(CC1CCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433308518 372587256 /nfs/dbraw/zinc/58/72/56/372587256.db2.gz YXNIXIJHGGHCCI-KRWDZBQOSA-N 0 3 284.403 3.408 20 30 CGEDHN CC1(C)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433375629 372599815 /nfs/dbraw/zinc/59/98/15/372599815.db2.gz HRKDPAUXXDDWBX-OAHLLOKOSA-N 0 3 270.376 3.160 20 30 CGEDHN CC(C)(C)SCCNCc1ccc(C#N)s1 ZINC000165227236 372546241 /nfs/dbraw/zinc/54/62/41/372546241.db2.gz JSZZBLTZRNKECB-UHFFFAOYSA-N 0 3 254.424 3.241 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@](C)(COC)C2)c1 ZINC000295170195 372695706 /nfs/dbraw/zinc/69/57/06/372695706.db2.gz UDOBGWANUPGAAU-KRWDZBQOSA-N 0 3 275.392 3.110 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccsc1Cl ZINC000435738875 372800138 /nfs/dbraw/zinc/80/01/38/372800138.db2.gz DCVJFHPCMBTLJG-PWSUYJOCSA-N 0 3 271.813 3.472 20 30 CGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NCc2ccc(C#N)o2)cc1 ZINC000344608442 217246716 /nfs/dbraw/zinc/24/67/16/217246716.db2.gz XOMLPYLRTBOACL-ROUUACIJSA-N 0 3 296.370 3.470 20 30 CGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439664451 372980986 /nfs/dbraw/zinc/98/09/86/372980986.db2.gz GENCBVZSGHTOHD-HLLBOEOZSA-N 0 3 299.418 3.020 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cnn(CC)c2)cc1 ZINC000296002482 372990241 /nfs/dbraw/zinc/99/02/41/372990241.db2.gz QNHVUMHILMUTGJ-CABCVRRESA-N 0 3 297.402 3.327 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000296080259 373016393 /nfs/dbraw/zinc/01/63/93/373016393.db2.gz PFXKSPSWXIZGMY-XJKSGUPXSA-N 0 3 272.392 3.102 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000442657874 373061976 /nfs/dbraw/zinc/06/19/76/373061976.db2.gz WBARFZYCHDBRJU-NXHRZFHOSA-N 0 3 283.419 3.105 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1ccncc1OCC(F)F ZINC000442859947 373107945 /nfs/dbraw/zinc/10/79/45/373107945.db2.gz VYNZHSRCJKGPAC-RYUDHWBXSA-N 0 3 284.350 3.416 20 30 CGEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000444675372 373230440 /nfs/dbraw/zinc/23/04/40/373230440.db2.gz LWCWAZIDZLMINP-WBVHZDCISA-N 0 3 299.418 3.397 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1)c1ccncc1 ZINC000174436868 373316528 /nfs/dbraw/zinc/31/65/28/373316528.db2.gz FQZZBVGXSHZBLE-INIZCTEOSA-N 0 3 251.333 3.194 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2cccnc2)C2CC2)C1 ZINC000447588176 373458457 /nfs/dbraw/zinc/45/84/57/373458457.db2.gz SQNRLUXSXSMHIG-UHOFOFEASA-N 0 3 255.365 3.205 20 30 CGEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCCCC#N ZINC000175386203 373461290 /nfs/dbraw/zinc/46/12/90/373461290.db2.gz QWONJPZWFCZLOQ-ORAYPTAESA-N 0 3 278.421 3.111 20 30 CGEDHN C=CCN(CCc1ccco1)[C@H](C)c1ccccn1 ZINC000299167010 373476917 /nfs/dbraw/zinc/47/69/17/373476917.db2.gz XVYYKQAFOFRSLY-CQSZACIVSA-N 0 3 256.349 3.466 20 30 CGEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000447399855 373433136 /nfs/dbraw/zinc/43/31/36/373433136.db2.gz XTWNLYCPCADCCW-AWEZNQCLSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000447843920 373506791 /nfs/dbraw/zinc/50/67/91/373506791.db2.gz OLKFUYVQHMTOMA-RHSMWYFYSA-N 0 3 291.822 3.317 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000447976894 373533660 /nfs/dbraw/zinc/53/36/60/373533660.db2.gz MDAGCQFSMMFMAR-OAHLLOKOSA-N 0 3 280.456 3.454 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H](c1nncn1C)C(C)C ZINC000449314598 373679198 /nfs/dbraw/zinc/67/91/98/373679198.db2.gz DKQCYQKMCPMCQP-ZIAGYGMSSA-N 0 3 264.417 3.237 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(F)cc1C#N)c1cccs1 ZINC000301212476 373694143 /nfs/dbraw/zinc/69/41/43/373694143.db2.gz WHXOCALMNAKZSX-AWEZNQCLSA-N 0 3 289.379 3.474 20 30 CGEDHN C=C(C)CCNCc1cnc(-c2ccccc2OC)nc1 ZINC000449472139 373756955 /nfs/dbraw/zinc/75/69/55/373756955.db2.gz FANQPWOELYGYBD-UHFFFAOYSA-N 0 3 283.375 3.208 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2nc(C)sc2c1 ZINC000449520496 373819975 /nfs/dbraw/zinc/81/99/75/373819975.db2.gz PXZDIWUMJRYTKI-OCCSQVGLSA-N 0 3 274.389 3.038 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)cc2c1OCC2 ZINC000449546939 373830580 /nfs/dbraw/zinc/83/05/80/373830580.db2.gz FTYNLAFXOMVPOQ-CABCVRRESA-N 0 3 293.794 3.098 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000180454654 374009436 /nfs/dbraw/zinc/00/94/36/374009436.db2.gz DVITYNIIXVRKJZ-CYBMUJFWSA-N 0 3 293.432 3.418 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(OC)c(F)c1 ZINC000180459349 374011223 /nfs/dbraw/zinc/01/12/23/374011223.db2.gz OUAWCHPHQHSZGB-LLVKDONJSA-N 0 3 269.385 3.404 20 30 CGEDHN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000180537313 374018566 /nfs/dbraw/zinc/01/85/66/374018566.db2.gz YNBRHFREWJAGNF-STQMWFEESA-N 0 3 298.390 3.043 20 30 CGEDHN C[C@H](NCC1(O)CCCCC1)c1ccc(C#N)c(F)c1 ZINC000305786728 374111053 /nfs/dbraw/zinc/11/10/53/374111053.db2.gz BYDNKPGUQMTGTB-LBPRGKRZSA-N 0 3 276.355 3.043 20 30 CGEDHN CCS[C@H]1CC[C@H](N(C)CC2(C#N)CCC2)C1 ZINC000450457833 374143678 /nfs/dbraw/zinc/14/36/78/374143678.db2.gz SLISRUJUWFFWAV-STQMWFEESA-N 0 3 252.427 3.286 20 30 CGEDHN CCc1cc(N(C)Cc2cccc(C#N)c2)ccn1 ZINC000307799672 374153213 /nfs/dbraw/zinc/15/32/13/374153213.db2.gz NUGQUZKIAQQOJO-UHFFFAOYSA-N 0 3 251.333 3.152 20 30 CGEDHN CCC(C)(C)OCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000308741980 374177847 /nfs/dbraw/zinc/17/78/47/374177847.db2.gz PGFQOJYFDJHKBU-ZDUSSCGKSA-N 0 3 260.381 3.414 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000450771940 374178022 /nfs/dbraw/zinc/17/80/22/374178022.db2.gz ZKHRFZNLAQLYGU-HNNXBMFYSA-N 0 3 290.451 3.280 20 30 CGEDHN CC[C@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000182302034 374255453 /nfs/dbraw/zinc/25/54/53/374255453.db2.gz FOJIIMIAEVHWCB-JKSUJKDBSA-N 0 3 277.795 3.239 20 30 CGEDHN C[C@H](NC[C@@H]1COc2ccccc2O1)c1cccc(C#N)c1 ZINC000315507221 374328637 /nfs/dbraw/zinc/32/86/37/374328637.db2.gz SMPRNLDWZJTNMB-XJKSGUPXSA-N 0 3 294.354 3.049 20 30 CGEDHN CCCCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000314286705 374315001 /nfs/dbraw/zinc/31/50/01/374315001.db2.gz GPNZIKZPMSHAKY-DLBZAZTESA-N 0 3 288.435 3.300 20 30 CGEDHN C[S@](=O)C[C@@H](NCCCC(C)(C)C#N)c1ccccc1 ZINC000183107490 374373372 /nfs/dbraw/zinc/37/33/72/374373372.db2.gz KOPBXWVEJWPYBI-QRWLVFNGSA-N 0 3 292.448 3.026 20 30 CGEDHN CO[C@@H]([C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000453348337 374438622 /nfs/dbraw/zinc/43/86/22/374438622.db2.gz GCFKBATXAFXYMK-UVWXRNBGSA-N 0 3 276.355 3.161 20 30 CGEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000183784046 374455091 /nfs/dbraw/zinc/45/50/91/374455091.db2.gz KPWLQFCOTJDKHQ-WFASDCNBSA-N 0 3 297.320 3.214 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(C#N)s1 ZINC000185194101 374606728 /nfs/dbraw/zinc/60/67/28/374606728.db2.gz PUWLRXBYQOMSRQ-HUUCEWRRSA-N 0 3 278.421 3.303 20 30 CGEDHN Cc1cc(NC(=O)c2ccc(C#N)s2)ccc1CN(C)C ZINC000458279599 374746307 /nfs/dbraw/zinc/74/63/07/374746307.db2.gz JWSANZDXNVZZPH-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000185752577 374729482 /nfs/dbraw/zinc/72/94/82/374729482.db2.gz JOVBJMINIJTDKI-WDSOQIARSA-N 0 3 297.446 3.495 20 30 CGEDHN C[C@@H](NC1CC(C)(F)C1)c1ccc(C#N)cc1F ZINC000334518843 374814310 /nfs/dbraw/zinc/81/43/10/374814310.db2.gz BLBKYOWRDXMSMG-FDMSEYEVSA-N 0 3 250.292 3.239 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000334524366 374820897 /nfs/dbraw/zinc/82/08/97/374820897.db2.gz JKFLFZRPEIGCAF-SFYZADRCSA-N 0 3 271.147 3.330 20 30 CGEDHN CCC(CC)[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000469588980 374989923 /nfs/dbraw/zinc/98/99/23/374989923.db2.gz OSPCTWRIOCOLPD-DOMZBBRYSA-N 0 3 258.365 3.440 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)C(C)(C)c1ccccc1 ZINC000469740856 374991046 /nfs/dbraw/zinc/99/10/46/374991046.db2.gz BVZFOXQBCDPXOI-GXTWGEPZSA-N 0 3 258.365 3.019 20 30 CGEDHN C=C(C)CN1CCC[C@H](OCc2ccccc2F)C1 ZINC000470920683 375001475 /nfs/dbraw/zinc/00/14/75/375001475.db2.gz QYCCZJAAEVFIGH-HNNXBMFYSA-N 0 3 263.356 3.383 20 30 CGEDHN C=CCOc1ccccc1CNCCC(O)(CC)CC ZINC000471817095 375007914 /nfs/dbraw/zinc/00/79/14/375007914.db2.gz RCQPDOLXOMDYCT-UHFFFAOYSA-N 0 3 277.408 3.282 20 30 CGEDHN C=CCC[C@H](O)CN(CC)Cc1ccc(Cl)cc1 ZINC000472760699 375033993 /nfs/dbraw/zinc/03/39/93/375033993.db2.gz ZVVGMRXCBXCXSE-HNNXBMFYSA-N 0 3 267.800 3.489 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(F)(c3cccnc3)CC2)C1 ZINC000335065067 375101457 /nfs/dbraw/zinc/10/14/57/375101457.db2.gz MOGKFRLJQVJJTJ-DZGCQCFKSA-N 0 3 273.355 3.034 20 30 CGEDHN C=CCN(CCOC)CCOc1ccc2ccccc2c1 ZINC000484683205 375188642 /nfs/dbraw/zinc/18/86/42/375188642.db2.gz VRVCOGGSPVTSEK-UHFFFAOYSA-N 0 3 285.387 3.353 20 30 CGEDHN CCCCC[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000486798483 375197476 /nfs/dbraw/zinc/19/74/76/375197476.db2.gz CPPFELQFEUHZQO-NVXWUHKLSA-N 0 3 293.455 3.086 20 30 CGEDHN C=C(C)[C@@H](NC[C@H](C)COC)c1ccc(F)c(F)c1 ZINC000188558045 375231111 /nfs/dbraw/zinc/23/11/11/375231111.db2.gz NUXKKKDWYNIMQJ-XHDPSFHLSA-N 0 3 269.335 3.454 20 30 CGEDHN Cc1cc(CN(C)[C@H](CO)c2ccccc2)ccc1C#N ZINC000487909421 375283284 /nfs/dbraw/zinc/28/32/84/375283284.db2.gz GFMQCOZMYZMOLA-GOSISDBHSA-N 0 3 280.371 3.032 20 30 CGEDHN COCCN(CC#Cc1ccccc1)[C@H]1CCC[C@@H]1C ZINC000487966969 375290443 /nfs/dbraw/zinc/29/04/43/375290443.db2.gz YEVVWGIFSBQBOE-WMZOPIPTSA-N 0 3 271.404 3.175 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1F ZINC000189596345 375420891 /nfs/dbraw/zinc/42/08/91/375420891.db2.gz VGTAUVMCHUGTAT-GFCCVEGCSA-N 0 3 271.339 3.195 20 30 CGEDHN C=CCOc1ccc(CNC[C@H]2CCC(C)(C)O2)cc1 ZINC000495180087 375497983 /nfs/dbraw/zinc/49/79/83/375497983.db2.gz JDRCSGZLTWOOMV-MRXNPFEDSA-N 0 3 275.392 3.299 20 30 CGEDHN CCS[C@@H]1CC[C@H](N(C)Cc2cc(C#N)n(C)c2)C1 ZINC000191433724 375628115 /nfs/dbraw/zinc/62/81/15/375628115.db2.gz XRIAQIJDYXEHIL-DZGCQCFKSA-N 0 3 277.437 3.003 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCCC[C@H]2CC)CCC1 ZINC000191779781 375662946 /nfs/dbraw/zinc/66/29/46/375662946.db2.gz QAJXRVGDTOTXAQ-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000336388981 375785271 /nfs/dbraw/zinc/78/52/71/375785271.db2.gz AEFCKVNBBPFXRO-PWSUYJOCSA-N 0 3 285.372 3.119 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3ccccc3n2)C1 ZINC000336252563 375765039 /nfs/dbraw/zinc/76/50/39/375765039.db2.gz UEJLFWZIXIBRMP-HIFRSBDPSA-N 0 3 265.360 3.407 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1CC#Cc1ccc(F)cc1 ZINC000512463187 375796201 /nfs/dbraw/zinc/79/62/01/375796201.db2.gz OZPNVIZYENDREM-QAPCUYQASA-N 0 3 289.394 3.193 20 30 CGEDHN CN(C)Cc1cccc(C(=O)Nc2ccccc2CC#N)c1 ZINC000515314548 375812735 /nfs/dbraw/zinc/81/27/35/375812735.db2.gz DEHXKLRXEJPIOJ-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2-n2cccn2)C1 ZINC000192775965 375787349 /nfs/dbraw/zinc/78/73/49/375787349.db2.gz IYFQKVXFJKWVBH-GOEBONIOSA-N 0 3 280.375 3.044 20 30 CGEDHN Cc1cc(C)cc(C[C@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000516563314 375822053 /nfs/dbraw/zinc/82/20/53/375822053.db2.gz DEHHBDHMADPJHQ-HOTGVXAUSA-N 0 3 269.392 3.268 20 30 CGEDHN COCCC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000528578341 375904440 /nfs/dbraw/zinc/90/44/40/375904440.db2.gz VSEHTFJZYZSFHY-UHFFFAOYSA-N 0 3 272.392 3.115 20 30 CGEDHN N#CCCCN1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528734621 375908923 /nfs/dbraw/zinc/90/89/23/375908923.db2.gz LOQQZLDNCLNQJB-QGZVFWFLSA-N 0 3 270.376 3.150 20 30 CGEDHN C=CCCCCCN1CCCN(c2nc(C)ns2)CC1 ZINC000193363003 375869340 /nfs/dbraw/zinc/86/93/40/375869340.db2.gz PSRWSIMSDXVFTF-UHFFFAOYSA-N 0 3 294.468 3.105 20 30 CGEDHN C=CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000533372121 375955423 /nfs/dbraw/zinc/95/54/23/375955423.db2.gz GXXFJTKJRMFDOQ-UHFFFAOYSA-N 0 3 250.773 3.038 20 30 CGEDHN N#CC(C(=O)[C@H]1CCCC12CC2)c1nc2ccccc2[nH]1 ZINC000528911299 375913924 /nfs/dbraw/zinc/91/39/24/375913924.db2.gz WJZINULNOONFEB-VXGBXAGGSA-N 0 3 279.343 3.319 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@@H](C)c2cc(C)ccc2C)C1=O ZINC000337136328 376092665 /nfs/dbraw/zinc/09/26/65/376092665.db2.gz NDKWOVKCIQAREZ-RDJZCZTQSA-N 0 3 286.419 3.083 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000337197730 376130748 /nfs/dbraw/zinc/13/07/48/376130748.db2.gz YXNHTTRQBCXUHE-KDOFPFPSSA-N 0 3 298.430 3.003 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](CC2CCC2)c2ccccc2)C1=O ZINC000337189781 376125439 /nfs/dbraw/zinc/12/54/39/376125439.db2.gz RZDVLOLCJJYISA-MSOLQXFVSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccccc1C)C1CC1 ZINC000538392703 376238972 /nfs/dbraw/zinc/23/89/72/376238972.db2.gz JNOZCTUDDVDOOY-LJQANCHMSA-N 0 3 298.430 3.236 20 30 CGEDHN CC(C)SCCN[C@H](C)c1ccc(C#N)cc1F ZINC000338288803 376316797 /nfs/dbraw/zinc/31/67/97/376316797.db2.gz HLIJEQTZHHNAMN-LLVKDONJSA-N 0 3 266.385 3.490 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H](C)C1)C(C)C ZINC000539560427 376319203 /nfs/dbraw/zinc/31/92/03/376319203.db2.gz JHQFLULEUVFDNO-IXDOHACOSA-N 0 3 292.467 3.237 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)COC2)c1ccc(C#N)cc1 ZINC000338350136 376344436 /nfs/dbraw/zinc/34/44/36/376344436.db2.gz CYVQPGAXDLGISM-CYBMUJFWSA-N 0 3 278.355 3.439 20 30 CGEDHN C[C@@H](NC[C@H](O)c1ccsc1)c1cccc(C#N)c1 ZINC000224672344 376286954 /nfs/dbraw/zinc/28/69/54/376286954.db2.gz WQEXFKIBZIBWJW-ABAIWWIYSA-N 0 3 272.373 3.004 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539065661 376290344 /nfs/dbraw/zinc/29/03/44/376290344.db2.gz UDRYUKJNGSTZDX-CYBMUJFWSA-N 0 3 278.352 3.147 20 30 CGEDHN C[C@@H](N[C@H]1COc2ccccc2C1)c1ccc(C#N)cc1F ZINC000540976595 376411145 /nfs/dbraw/zinc/41/11/45/376411145.db2.gz QXFZMNNQWGALON-IUODEOHRSA-N 0 3 296.345 3.352 20 30 CGEDHN CCOc1cc(CN2CCC(CC#N)CC2)ccc1OC ZINC000540994444 376412383 /nfs/dbraw/zinc/41/23/83/376412383.db2.gz UVXNHYUKXZXLOI-UHFFFAOYSA-N 0 3 288.391 3.220 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cc(C)cc(C)c1 ZINC000540416540 376373191 /nfs/dbraw/zinc/37/31/91/376373191.db2.gz RTEYBCAJVBNSTP-MRXNPFEDSA-N 0 3 288.435 3.379 20 30 CGEDHN C[C@H](NCCOc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000540595914 376384269 /nfs/dbraw/zinc/38/42/69/376384269.db2.gz IJQCUPBLWZIFBJ-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCc1ccccc1C#N ZINC000233848879 376605111 /nfs/dbraw/zinc/60/51/11/376605111.db2.gz SNICUPFRMXCKAQ-HUUCEWRRSA-N 0 3 260.406 3.322 20 30 CGEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000232315112 376578923 /nfs/dbraw/zinc/57/89/23/376578923.db2.gz SVZSXRODQUIQEX-INIZCTEOSA-N 0 3 253.349 3.138 20 30 CGEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000233924229 376607689 /nfs/dbraw/zinc/60/76/89/376607689.db2.gz CEHUCRGMYRRUCA-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN COc1cc(CNC2C(C)(C)C2(C)C)ccc1C#N ZINC000234898836 376622342 /nfs/dbraw/zinc/62/23/42/376622342.db2.gz DYVNIKVCVQZYCP-UHFFFAOYSA-N 0 3 258.365 3.091 20 30 CGEDHN COC1(CCN[C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000339083685 376669905 /nfs/dbraw/zinc/66/99/05/376669905.db2.gz SKMFQOXDTZEFSM-LBPRGKRZSA-N 0 3 276.355 3.307 20 30 CGEDHN C[C@H](CNc1ncc(C#N)cc1Cl)N1CCCC[C@@H]1C ZINC000339135584 376701421 /nfs/dbraw/zinc/70/14/21/376701421.db2.gz FKFWKYWAZBXQRA-NWDGAFQWSA-N 0 3 292.814 3.281 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000264484290 190113050 /nfs/dbraw/zinc/11/30/50/190113050.db2.gz LYFVJOREVIVDJF-UHFFFAOYSA-N 0 3 275.352 3.047 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000545241136 376803049 /nfs/dbraw/zinc/80/30/49/376803049.db2.gz RSQSBBXWSSUJAV-MNOVXSKESA-N 0 3 270.298 3.386 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)CCc1c(F)cccc1F ZINC000555321047 376856442 /nfs/dbraw/zinc/85/64/42/376856442.db2.gz MBQAHBBNRMVAOA-MNOVXSKESA-N 0 3 252.308 3.035 20 30 CGEDHN COc1cc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)ccn1 ZINC000340492959 377100708 /nfs/dbraw/zinc/10/07/08/377100708.db2.gz XPWYNDYJIXAYTH-STQMWFEESA-N 0 3 281.359 3.374 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@H](O)Cc1cccc(Cl)c1 ZINC000561886779 377249384 /nfs/dbraw/zinc/24/93/84/377249384.db2.gz MIDXTODUTUXLAV-JKSUJKDBSA-N 0 3 279.811 3.284 20 30 CGEDHN C=CCC[C@H](O)CN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000247431629 377203010 /nfs/dbraw/zinc/20/30/10/377203010.db2.gz NTVSLUUPASHYRD-DLBZAZTESA-N 0 3 291.460 3.412 20 30 CGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[C@H]1C ZINC000248366872 377294804 /nfs/dbraw/zinc/29/48/04/377294804.db2.gz SQEDNNIBYBSYCX-BZUAXINKSA-N 0 3 299.418 3.052 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000248599729 377361239 /nfs/dbraw/zinc/36/12/39/377361239.db2.gz UGZFJHOJEUXNSV-ZSHCYNCHSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000248650020 377375222 /nfs/dbraw/zinc/37/52/22/377375222.db2.gz WEFXZTVDNBDTEB-YQQAZPJKSA-N 0 3 288.435 3.396 20 30 CGEDHN N#CCCNCCCCOc1ccc(Cl)cc1 ZINC000564077170 377476032 /nfs/dbraw/zinc/47/60/32/377476032.db2.gz JISDDIAMNYPKON-UHFFFAOYSA-N 0 3 252.745 3.002 20 30 CGEDHN C=CCCCCN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000568951231 377524900 /nfs/dbraw/zinc/52/49/00/377524900.db2.gz HVIHWZKEEWBWLY-GOSISDBHSA-N 0 3 272.436 3.201 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000567811625 377510042 /nfs/dbraw/zinc/51/00/42/377510042.db2.gz ZYXVJLHUWFTJTM-KRWDZBQOSA-N 0 3 286.419 3.078 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N(CCC)CCN1CCCCC1 ZINC000571709240 377542540 /nfs/dbraw/zinc/54/25/40/377542540.db2.gz XEBYVCZBRGVVCI-MRXNPFEDSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCCNCc1ccc(C)cc1Br ZINC000168502687 542178346 /nfs/dbraw/zinc/17/83/46/542178346.db2.gz LRCKGAPPCARTOT-UHFFFAOYSA-N 0 3 254.171 3.423 20 30 CGEDHN N#Cc1cccc(NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC000265586425 190191523 /nfs/dbraw/zinc/19/15/23/190191523.db2.gz XIMNTKSMXNCWLB-OAHLLOKOSA-N 0 3 296.374 3.185 20 30 CGEDHN CC(C)CO[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000253158788 377680826 /nfs/dbraw/zinc/68/08/26/377680826.db2.gz QNKLDVSKAOBOCN-RHSMWYFYSA-N 0 3 272.392 3.366 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000342729417 377760022 /nfs/dbraw/zinc/76/00/22/377760022.db2.gz DYSNZGDVRLHKRL-MRXNPFEDSA-N 0 3 288.435 3.320 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000342787863 377793329 /nfs/dbraw/zinc/79/33/29/377793329.db2.gz NWGRXRLYHKERNZ-PRHODGIISA-N 0 3 295.264 3.047 20 30 CGEDHN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C1 ZINC000343286192 377946254 /nfs/dbraw/zinc/94/62/54/377946254.db2.gz MIRXMFCRCBDKKR-NSHDSACASA-N 0 3 297.324 3.107 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000265634468 378005998 /nfs/dbraw/zinc/00/59/98/378005998.db2.gz QFBCJRKCEYTGGQ-MRXNPFEDSA-N 0 3 299.418 3.220 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC000264384206 377981904 /nfs/dbraw/zinc/98/19/04/377981904.db2.gz MHHQKWBADMBQSX-UHFFFAOYSA-N 0 3 287.407 3.157 20 30 CGEDHN C[C@@H](C#N)S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000578131737 378039381 /nfs/dbraw/zinc/03/93/81/378039381.db2.gz RXSRAAOWKSPCQV-DZGCQCFKSA-N 0 3 260.406 3.296 20 30 CGEDHN C=CCOc1cccc(CN(C)CCCSC)c1 ZINC000343674052 378061274 /nfs/dbraw/zinc/06/12/74/378061274.db2.gz IHSNGBSWQIXLIP-UHFFFAOYSA-N 0 3 265.422 3.436 20 30 CGEDHN COC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000344002281 378150550 /nfs/dbraw/zinc/15/05/50/378150550.db2.gz XFCDHYWYTGOMLC-UGFHNGPFSA-N 0 3 278.783 3.309 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000268676453 378089591 /nfs/dbraw/zinc/08/95/91/378089591.db2.gz VYRDKNTWMXTWAM-JKSUJKDBSA-N 0 3 263.356 3.290 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000579805865 378195573 /nfs/dbraw/zinc/19/55/73/378195573.db2.gz PJBDRJRZBUJEKX-LTIDMASMSA-N 0 3 282.387 3.064 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000618743108 378410567 /nfs/dbraw/zinc/41/05/67/378410567.db2.gz WZUABKNIEDBQIG-KRWDZBQOSA-N 0 3 293.326 3.244 20 30 CGEDHN Cc1ncsc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618742726 378411008 /nfs/dbraw/zinc/41/10/08/378411008.db2.gz QNGVMXYIACXIAF-AWEZNQCLSA-N 0 3 269.373 3.100 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000345814473 378376055 /nfs/dbraw/zinc/37/60/55/378376055.db2.gz KRANPOJKPBFYBX-CABCVRRESA-N 0 3 292.382 3.483 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000345817201 378377435 /nfs/dbraw/zinc/37/74/35/378377435.db2.gz XEVKFMCAYZZVQP-ZDUSSCGKSA-N 0 3 280.327 3.255 20 30 CGEDHN Cc1cccc([C@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271915403 378515391 /nfs/dbraw/zinc/51/53/91/378515391.db2.gz BZLNOKAREQIOBZ-FZKQIMNGSA-N 0 3 298.361 3.390 20 30 CGEDHN CC(C)N(CCOc1ccccc1C#N)Cc1ccco1 ZINC000346351665 378554449 /nfs/dbraw/zinc/55/44/49/378554449.db2.gz NYJPCGFXQFFGGA-UHFFFAOYSA-N 0 3 284.359 3.441 20 30 CGEDHN CC1=CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272263985 378598748 /nfs/dbraw/zinc/59/87/48/378598748.db2.gz KODKEMUWCWSWHN-UHFFFAOYSA-N 0 3 292.386 3.111 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000347279945 378714388 /nfs/dbraw/zinc/71/43/88/378714388.db2.gz NGXMOEUWHUATDT-ZIAGYGMSSA-N 0 3 272.392 3.435 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000348030856 378760229 /nfs/dbraw/zinc/76/02/29/378760229.db2.gz JGMIBZSWMQEHMP-LBPRGKRZSA-N 0 3 297.370 3.086 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000274262060 378800445 /nfs/dbraw/zinc/80/04/45/378800445.db2.gz CKTPUJTUOUKGAL-ZDUSSCGKSA-N 0 3 260.381 3.289 20 30 CGEDHN C#CCC(C)(C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000274422354 378829924 /nfs/dbraw/zinc/82/99/24/378829924.db2.gz UHGRCCVIDXBYQH-UHFFFAOYSA-N 0 3 272.392 3.045 20 30 CGEDHN C=C(C)CCN(CCC)CC(=O)Nc1ccccc1OC ZINC000274761872 378890448 /nfs/dbraw/zinc/89/04/48/378890448.db2.gz KKBOOQOBVVEZII-UHFFFAOYSA-N 0 3 290.407 3.312 20 30 CGEDHN C=CCN(C[C@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000274831835 378903561 /nfs/dbraw/zinc/90/35/61/378903561.db2.gz MLXVPPVPTNXJST-AWEZNQCLSA-N 0 3 269.747 3.163 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCc1ccc(F)cc1C#N ZINC000348465679 378960186 /nfs/dbraw/zinc/96/01/86/378960186.db2.gz DPVBDNSLDHPQEM-HUUCEWRRSA-N 0 3 278.396 3.461 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000370722557 379059575 /nfs/dbraw/zinc/05/95/75/379059575.db2.gz TVUDORZZSOYNSE-GOSISDBHSA-N 0 3 277.371 3.018 20 30 CGEDHN CC[C@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000347374688 218211569 /nfs/dbraw/zinc/21/15/69/218211569.db2.gz XHGKUKXEIUFTSE-LJQANCHMSA-N 0 3 294.398 3.331 20 30 CGEDHN C=CCc1cc(CNC2CC(F)(F)C2)cc(OC)c1O ZINC000277763319 379231414 /nfs/dbraw/zinc/23/14/14/379231414.db2.gz XHYNJJRIGAYCGA-UHFFFAOYSA-N 0 3 283.318 3.017 20 30 CGEDHN C=CCCC1(CNCc2snnc2C)CCCC1 ZINC000639306645 379256624 /nfs/dbraw/zinc/25/66/24/379256624.db2.gz UEMSPDLAYQSACB-UHFFFAOYSA-N 0 3 265.426 3.463 20 30 CGEDHN C=CCCC(C)(C)CNCc1cc(OC)ns1 ZINC000639381259 379341336 /nfs/dbraw/zinc/34/13/36/379341336.db2.gz MXFKRHUHDGJHOO-UHFFFAOYSA-N 0 3 254.399 3.234 20 30 CGEDHN CC[C@H](C)[C@H](C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000347619031 218294466 /nfs/dbraw/zinc/29/44/66/218294466.db2.gz WJHIZMCGNBDLCW-RYUDHWBXSA-N 0 3 284.363 3.132 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279629055 379476569 /nfs/dbraw/zinc/47/65/69/379476569.db2.gz YXLKLVGMRKTRSB-IHRRRGAJSA-N 0 3 299.422 3.426 20 30 CGEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000280467599 379711974 /nfs/dbraw/zinc/71/19/74/379711974.db2.gz MOHPQEJHVJBEPS-MRXNPFEDSA-N 0 3 281.359 3.400 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nc2ccccc2n1C ZINC000280900614 379809394 /nfs/dbraw/zinc/80/93/94/379809394.db2.gz RCGXLSKOECQKCT-KEYYUXOJSA-N 0 3 299.418 3.205 20 30 CGEDHN C=CC[C@@H](CC)N[C@H](C)c1cc(C(=O)OC)co1 ZINC000281775434 379846013 /nfs/dbraw/zinc/84/60/13/379846013.db2.gz WZZFZMDKJSOUNR-ZYHUDNBSSA-N 0 3 251.326 3.072 20 30 CGEDHN C=CC[C@H](CC)NCc1ccc(OC)c(OC)c1OC ZINC000281224491 379824265 /nfs/dbraw/zinc/82/42/65/379824265.db2.gz DGRFCVMWNLUTBP-ZDUSSCGKSA-N 0 3 279.380 3.157 20 30 CGEDHN CC[C@H](CNCc1nc(C#N)cs1)CC(F)(F)F ZINC000402706561 379972110 /nfs/dbraw/zinc/97/21/10/379972110.db2.gz SUQKCYFWZCBOMZ-QMMMGPOBSA-N 0 3 277.315 3.083 20 30 CGEDHN CCC[C@]1(NCc2ccc(C#N)cc2Cl)CCOC1 ZINC000352814153 379976507 /nfs/dbraw/zinc/97/65/07/379976507.db2.gz DWWVKGMXRFTRCQ-HNNXBMFYSA-N 0 3 278.783 3.260 20 30 CGEDHN CC(C)CC1(CNCc2nc(C#N)cs2)CCC1 ZINC000352830216 379988180 /nfs/dbraw/zinc/98/81/80/379988180.db2.gz CATZHBHWSWTTNY-UHFFFAOYSA-N 0 3 263.410 3.321 20 30 CGEDHN CC1(C)C[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352838438 379992647 /nfs/dbraw/zinc/99/26/47/379992647.db2.gz FJGWMZLBIPNOPZ-LBPRGKRZSA-N 0 3 268.282 3.465 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000352841913 379997497 /nfs/dbraw/zinc/99/74/97/379997497.db2.gz UFJOLGXVSMALRJ-CABCVRRESA-N 0 3 283.400 3.441 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)c(F)c1 ZINC000352871575 380014425 /nfs/dbraw/zinc/01/44/25/380014425.db2.gz BQOKHASGPSGVGW-CJNGLKHVSA-N 0 3 290.382 3.213 20 30 CGEDHN C=CCOc1ccc(CNCc2cccc3nccn32)cc1 ZINC000352921871 380039114 /nfs/dbraw/zinc/03/91/14/380039114.db2.gz LUEBMYNLPLBIRZ-UHFFFAOYSA-N 0 3 293.370 3.189 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000411446989 380147569 /nfs/dbraw/zinc/14/75/69/380147569.db2.gz BHZDBYGCHGKODA-KGLIPLIRSA-N 0 3 285.391 3.156 20 30 CGEDHN C=CCN(CCc1cncs1)Cc1ccccc1 ZINC000411133970 380130173 /nfs/dbraw/zinc/13/01/73/380130173.db2.gz MTNGKHSIZCBGKG-UHFFFAOYSA-N 0 3 258.390 3.374 20 30 CGEDHN C=CCN(CCc1ccco1)CCc1cncs1 ZINC000411489830 380148816 /nfs/dbraw/zinc/14/88/16/380148816.db2.gz LCCYNQUTHNQLNQ-UHFFFAOYSA-N 0 3 262.378 3.009 20 30 CGEDHN CCOC(=O)[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411139781 380132175 /nfs/dbraw/zinc/13/21/75/380132175.db2.gz SYIJRSQGTASWHH-HNNXBMFYSA-N 0 3 292.423 3.126 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)COC3)CC2 ZINC000353243575 380185562 /nfs/dbraw/zinc/18/55/62/380185562.db2.gz RKHKIBOJYYFPDF-IBGZPJMESA-N 0 3 290.366 3.366 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCCOc2ccccc21 ZINC000414162461 380195061 /nfs/dbraw/zinc/19/50/61/380195061.db2.gz HBMZSUSEUYJMJM-AWEZNQCLSA-N 0 3 258.365 3.430 20 30 CGEDHN COc1ccc([C@@H](C)NCC(C)(C)CC#N)c(F)c1 ZINC000414160713 380195145 /nfs/dbraw/zinc/19/51/45/380195145.db2.gz DKCVOKFTQGHLIG-LLVKDONJSA-N 0 3 264.344 3.425 20 30 CGEDHN CC1CCC(N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000353175102 380152685 /nfs/dbraw/zinc/15/26/85/380152685.db2.gz RXXVZCZSPWIPOM-UHFFFAOYSA-N 0 3 297.446 3.255 20 30 CGEDHN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)[C@H]2CCC[C@H]21 ZINC000354581522 380494021 /nfs/dbraw/zinc/49/40/21/380494021.db2.gz QAHLYMVSXDKENM-CVEARBPZSA-N 0 3 294.402 3.216 20 30 CGEDHN CC[C@@H]1CCCCN1CCNc1nc(C)cc(C)c1C#N ZINC000354642530 380511451 /nfs/dbraw/zinc/51/14/51/380511451.db2.gz ZRFZFSYSUNENSM-OAHLLOKOSA-N 0 3 286.423 3.247 20 30 CGEDHN C=CCCCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416209425 380524256 /nfs/dbraw/zinc/52/42/56/380524256.db2.gz KNRIVYNCKOESMB-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN CCN(CCC1CC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000355062006 380571509 /nfs/dbraw/zinc/57/15/09/380571509.db2.gz PIWSOBYRISWHIO-CYBMUJFWSA-N 0 3 285.391 3.007 20 30 CGEDHN CCN(CCC1CC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000355064992 380571999 /nfs/dbraw/zinc/57/19/99/380571999.db2.gz RVGNEVRQYUDTJV-CYBMUJFWSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCC(C)(C)CNCc1cn2cccc(F)c2n1 ZINC000645185114 380607977 /nfs/dbraw/zinc/60/79/77/380607977.db2.gz UBRRBWZTOWGNNX-UHFFFAOYSA-N 0 3 261.344 3.165 20 30 CGEDHN C=CCC(C)(C)CNCc1nc2c(s1)CCC2 ZINC000645185122 380608829 /nfs/dbraw/zinc/60/88/29/380608829.db2.gz UWAQJLWNVOJVPX-UHFFFAOYSA-N 0 3 250.411 3.324 20 30 CGEDHN C=CC[C@H]1N(Cc2cc(C)nn2C)CCCC1(C)C ZINC000418032392 380693296 /nfs/dbraw/zinc/69/32/96/380693296.db2.gz LWUAPIRZYHDAPA-OAHLLOKOSA-N 0 3 261.413 3.295 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000355777073 380775468 /nfs/dbraw/zinc/77/54/68/380775468.db2.gz CFMNRODJSJICEY-MGPQQGTHSA-N 0 3 272.392 3.433 20 30 CGEDHN CCN(Cc1nc(C#N)cs1)[C@H]1CCCC[C@H]1C ZINC000419248265 380789004 /nfs/dbraw/zinc/78/90/04/380789004.db2.gz CNCVHEPSPOOFNB-YPMHNXCESA-N 0 3 263.410 3.415 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)c(F)c1)C1(O)CCCC1 ZINC000421387775 380932241 /nfs/dbraw/zinc/93/22/41/380932241.db2.gz UGTUIJWSMFTAGN-UHFFFAOYSA-N 0 3 290.382 3.118 20 30 CGEDHN C=CCOc1ccccc1CN1CCCSCC1 ZINC000357227346 381075505 /nfs/dbraw/zinc/07/55/05/381075505.db2.gz DYDKTUYEUWYOCB-UHFFFAOYSA-N 0 3 263.406 3.190 20 30 CGEDHN C=CC[C@H](C)N[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000358044138 381288640 /nfs/dbraw/zinc/28/86/40/381288640.db2.gz XPSSTHZOFQOGIA-QWHCGFSZSA-N 0 3 270.380 3.191 20 30 CGEDHN C[C@H]1CCC[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000357739558 381272683 /nfs/dbraw/zinc/27/26/83/381272683.db2.gz HVMSYFSYTNHUKF-KBPBESRZSA-N 0 3 285.391 3.007 20 30 CGEDHN CCN(CC)CCSc1nc2c(c(C)c1C#N)CCC2 ZINC000357747950 381276419 /nfs/dbraw/zinc/27/64/19/381276419.db2.gz RKLQUPBXYNNKCH-UHFFFAOYSA-N 0 3 289.448 3.184 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358459979 381310314 /nfs/dbraw/zinc/31/03/14/381310314.db2.gz VYXCXSYNJPOKTB-LLVKDONJSA-N 0 3 264.369 3.267 20 30 CGEDHN C=C(CC)CN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000358492571 381312321 /nfs/dbraw/zinc/31/23/21/381312321.db2.gz AWQRGQUBEDZKOZ-UHFFFAOYSA-N 0 3 287.407 3.007 20 30 CGEDHN C=C(CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000360214539 381483407 /nfs/dbraw/zinc/48/34/07/381483407.db2.gz WMDNZMBRBUZTLN-OAGGEKHMSA-N 0 3 286.419 3.077 20 30 CGEDHN CC[C@@H]1[C@H](C)CCN1Cc1cn2ccccc2c1C#N ZINC000360475313 381554144 /nfs/dbraw/zinc/55/41/44/381554144.db2.gz BJDSWRHIMCWDJI-CZUORRHYSA-N 0 3 267.376 3.431 20 30 CGEDHN C=C(C)COCCN[C@@H](c1cccnc1)C1CCC1 ZINC000360662973 381609241 /nfs/dbraw/zinc/60/92/41/381609241.db2.gz IOPMCUIWSUNGSQ-MRXNPFEDSA-N 0 3 260.381 3.105 20 30 CGEDHN N#CC(C(=O)c1cccnc1)c1nccc2ccccc21 ZINC000361528596 381786703 /nfs/dbraw/zinc/78/67/03/381786703.db2.gz ASNUMBLGIWIIRL-OAHLLOKOSA-N 0 3 273.295 3.120 20 30 CGEDHN COCCN(Cc1ccc(C#N)c(F)c1)[C@@H]1CC[C@H](C)C1 ZINC000362152503 381889666 /nfs/dbraw/zinc/88/96/66/381889666.db2.gz CDSWIASQHANWGV-XJKSGUPXSA-N 0 3 290.382 3.334 20 30 CGEDHN N#Cc1cc(F)ccc1CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335378536 208317599 /nfs/dbraw/zinc/31/75/99/208317599.db2.gz HAMTVGRCAWEHOR-PBHICJAKSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@H](N[C@H]1CSC[C@@H]1C)c1ccc(C#N)cc1F ZINC000354010294 220478927 /nfs/dbraw/zinc/47/89/27/220478927.db2.gz MXNOEHXRUQFYJK-BHDSKKPTSA-N 0 3 264.369 3.099 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1ccc(Cl)s1 ZINC000309538186 542424851 /nfs/dbraw/zinc/42/48/51/542424851.db2.gz FLGLMNNZBXEEFK-VHSXEESVSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CC[C@H](CO)N[C@@H]1CCSc2c(Cl)cccc21 ZINC000349756611 542526766 /nfs/dbraw/zinc/52/67/66/542526766.db2.gz IBCRYQVHQWBQTH-ZWNOBZJWSA-N 0 3 283.824 3.404 20 30 CGEDHN C=C(CNCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000358731979 542578206 /nfs/dbraw/zinc/57/82/06/542578206.db2.gz OODDDFRZBOXYEG-UHFFFAOYSA-N 0 3 298.342 3.406 20 30 CGEDHN Cn1cc(CNCc2ccc(C(C)(C)C)cc2)cc1C#N ZINC000190906241 130161556 /nfs/dbraw/zinc/16/15/56/130161556.db2.gz GJFKPRIKEKEMGT-UHFFFAOYSA-N 0 3 281.403 3.484 20 30 CGEDHN Cc1cc(C)cc([C@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000190982878 130168297 /nfs/dbraw/zinc/16/82/97/130168297.db2.gz RLLVDXAOMLDBFR-AWEZNQCLSA-N 0 3 267.376 3.364 20 30 CGEDHN C=CCCNCc1cccc(Br)c1F ZINC000395004603 542615589 /nfs/dbraw/zinc/61/55/89/542615589.db2.gz HATHNSVPIRYAEO-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN C#CCSCCN[C@H]1CCSc2ccc(OC)cc21 ZINC000191533035 130249967 /nfs/dbraw/zinc/24/99/67/130249967.db2.gz UYEMWSISRDURFG-AWEZNQCLSA-N 0 3 293.457 3.188 20 30 CGEDHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000008118401 391927293 /nfs/dbraw/zinc/92/72/93/391927293.db2.gz RTBLNGYVOFONRE-HNNXBMFYSA-N 0 3 299.418 3.022 20 30 CGEDHN C=CCOc1ccccc1CNCCN1CCC(C)CC1 ZINC000040771957 391985272 /nfs/dbraw/zinc/98/52/72/391985272.db2.gz XLRJDWJZQZIIJX-UHFFFAOYSA-N 0 3 288.435 3.073 20 30 CGEDHN CCC(CC)CN(CC)CC(=O)Nc1cccc(C#N)c1 ZINC000048970462 392029765 /nfs/dbraw/zinc/02/97/65/392029765.db2.gz DFLKSAYNJWNGMV-UHFFFAOYSA-N 0 3 287.407 3.255 20 30 CGEDHN CC(C)CC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000361268964 392273452 /nfs/dbraw/zinc/27/34/52/392273452.db2.gz YFGGQOJSJNCTNW-SFHVURJKSA-N 0 3 286.419 3.320 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C1(C)C ZINC000361899140 392357312 /nfs/dbraw/zinc/35/73/12/392357312.db2.gz INWLEULLQJDMOI-ZIAGYGMSSA-N 0 3 278.421 3.301 20 30 CGEDHN C=CCC[C@@H](NC[C@H](O)Cc1ccccc1)c1ccco1 ZINC000286165946 392377733 /nfs/dbraw/zinc/37/77/33/392377733.db2.gz QDNZVUIVICPNLV-IAGOWNOFSA-N 0 3 285.387 3.480 20 30 CGEDHN COCCN(CCCC(C)(C)C#N)Cc1ccc(C)o1 ZINC000125340094 392439554 /nfs/dbraw/zinc/43/95/54/392439554.db2.gz JZYMZSMSEMUXCN-UHFFFAOYSA-N 0 3 278.396 3.366 20 30 CGEDHN C[C@H](N[C@H]1COc2ccc(F)cc2C1)c1cccc(C#N)c1 ZINC000290478797 392448263 /nfs/dbraw/zinc/44/82/63/392448263.db2.gz XGNZLIWGOJPYSN-YVEFUNNKSA-N 0 3 296.345 3.352 20 30 CGEDHN CC#CCCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000155321043 392540809 /nfs/dbraw/zinc/54/08/09/392540809.db2.gz OEFUOERGFBJMAV-QGZVFWFLSA-N 0 3 275.367 3.220 20 30 CGEDHN C=CCOc1ccc(CN(C)C(C)(C)COC)cc1OC ZINC000292702796 392509826 /nfs/dbraw/zinc/50/98/26/392509826.db2.gz CMHAVIHEITYRHP-UHFFFAOYSA-N 0 3 293.407 3.117 20 30 CGEDHN C=CCCCCCN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374014439 392666784 /nfs/dbraw/zinc/66/67/84/392666784.db2.gz NXXWPFXNRROFLV-YESZJQIVSA-N 0 3 281.440 3.391 20 30 CGEDHN N#CCCCN1CC[C@H](CSc2ccccc2)C1 ZINC000174142348 392636802 /nfs/dbraw/zinc/63/68/02/392636802.db2.gz JWBJYGBHZRCGQJ-AWEZNQCLSA-N 0 3 260.406 3.404 20 30 CGEDHN Cc1cccn2cc(CNCC(C)(C)CCC#N)nc12 ZINC000174413029 392641539 /nfs/dbraw/zinc/64/15/39/392641539.db2.gz SXKQZEDGGCOBMH-UHFFFAOYSA-N 0 3 270.380 3.062 20 30 CGEDHN CC(C)[C@H](C)N(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000505259327 392653143 /nfs/dbraw/zinc/65/31/43/392653143.db2.gz GGRQWBVBVBMTKY-ZDUSSCGKSA-N 0 3 282.391 3.215 20 30 CGEDHN C=C(C)CN(C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000181291213 392726379 /nfs/dbraw/zinc/72/63/79/392726379.db2.gz FVBTTZSZRLFELL-UHFFFAOYSA-N 0 3 291.782 3.440 20 30 CGEDHN COCC[C@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000375098448 392738416 /nfs/dbraw/zinc/73/84/16/392738416.db2.gz YCMKLQREHPPVHK-CQSZACIVSA-N 0 3 290.382 3.336 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1cccc(Cl)c1 ZINC000182599904 392748098 /nfs/dbraw/zinc/74/80/98/392748098.db2.gz YHAGSWJKWTYXCN-FZMZJTMJSA-N 0 3 280.799 3.071 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000186120683 392778830 /nfs/dbraw/zinc/77/88/30/392778830.db2.gz HTARFPVRFNWYLY-CJNGLKHVSA-N 0 3 280.375 3.222 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCS[C@@H](C)CC1 ZINC000192178077 392840784 /nfs/dbraw/zinc/84/07/84/392840784.db2.gz ZNWWRCTYRWHGDI-ZDUSSCGKSA-N 0 3 260.406 3.194 20 30 CGEDHN CC(C#N)C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000335671499 392805715 /nfs/dbraw/zinc/80/57/15/392805715.db2.gz FDPUESSQKLJPQW-ZOODHJKOSA-N 0 3 274.339 3.128 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccccc2)CCCCC1 ZINC000336043241 392830033 /nfs/dbraw/zinc/83/00/33/392830033.db2.gz SEGVZPYXMOVRTL-CYBMUJFWSA-N 0 3 256.349 3.122 20 30 CGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000192798693 392861038 /nfs/dbraw/zinc/86/10/38/392861038.db2.gz YLRQJMDUOFFVMY-LBPRGKRZSA-N 0 3 299.399 3.299 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000339070501 392945167 /nfs/dbraw/zinc/94/51/67/392945167.db2.gz ZDZKSHCXSPMPJJ-GZBFAFLISA-N 0 3 288.391 3.437 20 30 CGEDHN C=CCOCCN1CCC(c2ccccc2C)CC1 ZINC000338981155 392937901 /nfs/dbraw/zinc/93/79/01/392937901.db2.gz NZXKYXIQPGHYEN-UHFFFAOYSA-N 0 3 259.393 3.377 20 30 CGEDHN C=CCCCN(C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000338947924 392937977 /nfs/dbraw/zinc/93/79/77/392937977.db2.gz JLHMHRNGZQPCOG-UHFFFAOYSA-N 0 3 265.353 3.027 20 30 CGEDHN CCn1cc([C@@H](C)NCCC2(C#N)CCCCC2)cn1 ZINC000411798871 392988687 /nfs/dbraw/zinc/98/86/87/392988687.db2.gz JTOCIALVYWEQHE-CQSZACIVSA-N 0 3 274.412 3.418 20 30 CGEDHN CC[C@@H](C)N1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411794529 392989092 /nfs/dbraw/zinc/98/90/92/392989092.db2.gz PSIITAVSDPIUKI-MRXNPFEDSA-N 0 3 277.456 3.267 20 30 CGEDHN COC1([C@H](C)NCC#Cc2ccccc2Cl)CCC1 ZINC000412025049 392994534 /nfs/dbraw/zinc/99/45/34/392994534.db2.gz OXDMBILCYBXTTB-ZDUSSCGKSA-N 0 3 277.795 3.239 20 30 CGEDHN CC(C)N(Cc1cn2ccccc2c1C#N)CC1CC1 ZINC000533358706 392996781 /nfs/dbraw/zinc/99/67/81/392996781.db2.gz PFMZSSKZELWHOU-UHFFFAOYSA-N 0 3 267.376 3.431 20 30 CGEDHN C=CCCCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000412558525 393003060 /nfs/dbraw/zinc/00/30/60/393003060.db2.gz LJDBIPJWDYGTGM-UHFFFAOYSA-N 0 3 264.344 3.182 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000412618898 393004882 /nfs/dbraw/zinc/00/48/82/393004882.db2.gz WPBRFSRLDIFUTH-OSMZGAPFSA-N 0 3 276.767 3.252 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000412618895 393005003 /nfs/dbraw/zinc/00/50/03/393005003.db2.gz WPBRFSRLDIFUTH-MPKXVKKWSA-N 0 3 276.767 3.252 20 30 CGEDHN CCN(CC1(C#N)CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000343319305 393026489 /nfs/dbraw/zinc/02/64/89/393026489.db2.gz ZLIAVBVVVGMVKY-WMZOPIPTSA-N 0 3 297.446 3.448 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1nccs1 ZINC000413881569 393034651 /nfs/dbraw/zinc/03/46/51/393034651.db2.gz OHKRMHKUKQHBDX-JSGCOSHPSA-N 0 3 299.399 3.093 20 30 CGEDHN C=CCOCCNCc1ccccc1OCC(C)C ZINC000648509936 393071044 /nfs/dbraw/zinc/07/10/44/393071044.db2.gz KCPOZVWHFWWVNG-UHFFFAOYSA-N 0 3 263.381 3.014 20 30 CGEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccccc1Cl ZINC000346179965 393078996 /nfs/dbraw/zinc/07/89/96/393078996.db2.gz GBJNNTPVHLLTNA-ZWNOBZJWSA-N 0 3 264.756 3.313 20 30 CGEDHN N#CCCCC[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352836480 393211569 /nfs/dbraw/zinc/21/15/69/393211569.db2.gz UXVLJYZZYUKQPW-UHFFFAOYSA-N 0 3 272.270 3.194 20 30 CGEDHN C=CC[C@@H]1CC[C@@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000649488846 393449248 /nfs/dbraw/zinc/44/92/48/393449248.db2.gz BIWRQBRHDYNHGK-BDJLRTHQSA-N 0 3 281.363 3.015 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(Cc2cccc(O)c2)CC1 ZINC000359516322 393550405 /nfs/dbraw/zinc/55/04/05/393550405.db2.gz QPQDIYFBSQIBDQ-INIZCTEOSA-N 0 3 288.435 3.255 20 30 CGEDHN CC(C)OCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360884023 393606087 /nfs/dbraw/zinc/60/60/87/393606087.db2.gz MRHJDGGHIBBGQN-QGZVFWFLSA-N 0 3 272.392 3.340 20 30 CGEDHN C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1cccc(C#N)c1 ZINC000360791933 393589433 /nfs/dbraw/zinc/58/94/33/393589433.db2.gz IWMSTIWTHUUIFY-LIRRHRJNSA-N 0 3 291.398 3.396 20 30 CGEDHN CSC1(CN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000433079791 393682869 /nfs/dbraw/zinc/68/28/69/393682869.db2.gz YNSXOBINMNWXQV-JTQLQIEISA-N 0 3 264.369 3.244 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(C)(C)C#N ZINC000425533145 393697784 /nfs/dbraw/zinc/69/77/84/393697784.db2.gz KLIHZFRUEKNFEL-ZDUSSCGKSA-N 0 3 255.365 3.491 20 30 CGEDHN Cc1cc(CNC[C@H](C)Oc2ccccc2)ccc1C#N ZINC000443987478 393779651 /nfs/dbraw/zinc/77/96/51/393779651.db2.gz JOUDEUJMZLYWTJ-HNNXBMFYSA-N 0 3 280.371 3.424 20 30 CGEDHN COCc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443972363 393779697 /nfs/dbraw/zinc/77/96/97/393779697.db2.gz XVGONLUIHBICEL-UHFFFAOYSA-N 0 3 280.371 3.303 20 30 CGEDHN Cc1cc(CNC[C@@H](C)C(F)(F)F)ccc1C#N ZINC000444002278 393782302 /nfs/dbraw/zinc/78/23/02/393782302.db2.gz NFKMKKVEKKMXMW-SNVBAGLBSA-N 0 3 256.271 3.155 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C(C)C)C1 ZINC000501235244 393849382 /nfs/dbraw/zinc/84/93/82/393849382.db2.gz CIOQMWUWCDEEBO-CQSZACIVSA-N 0 3 258.365 3.045 20 30 CGEDHN C=CCCC1(CNCc2cn3cccnc3n2)CCCC1 ZINC000668464837 543015692 /nfs/dbraw/zinc/01/56/92/543015692.db2.gz NKKMPOAVJQIRCP-UHFFFAOYSA-N 0 3 284.407 3.346 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000668494383 543020368 /nfs/dbraw/zinc/02/03/68/543020368.db2.gz YMMBFDXBACUZDQ-CYBMUJFWSA-N 0 3 257.381 3.142 20 30 CGEDHN C=CCC[C@H](CC)N[C@H](CO)c1ccc(F)cc1F ZINC000668745914 543054849 /nfs/dbraw/zinc/05/48/49/543054849.db2.gz IEADTNKPLSSYSA-SWLSCSKDSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000650259736 397809666 /nfs/dbraw/zinc/80/96/66/397809666.db2.gz WHAQZHCEPTYGGL-KRWDZBQOSA-N 0 3 295.373 3.156 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000649876492 397742105 /nfs/dbraw/zinc/74/21/05/397742105.db2.gz SRCMLLBIHCGCPM-HUUCEWRRSA-N 0 3 283.774 3.457 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000649876493 397742263 /nfs/dbraw/zinc/74/22/63/397742263.db2.gz SRCMLLBIHCGCPM-LSDHHAIUSA-N 0 3 283.774 3.457 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2nc(C)sc2C)CC1 ZINC000676490255 543399564 /nfs/dbraw/zinc/39/95/64/543399564.db2.gz PBRYLUJQUWCAKU-LLVKDONJSA-N 0 3 279.453 3.061 20 30 CGEDHN CC(C)(C)CN(CC#Cc1cccc(Cl)c1)CCO ZINC000676559018 543404632 /nfs/dbraw/zinc/40/46/32/543404632.db2.gz WLWDNPPJNVPABH-UHFFFAOYSA-N 0 3 279.811 3.032 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000677480349 543451355 /nfs/dbraw/zinc/45/13/55/543451355.db2.gz XLFXUZZODPRLFU-HZPDHXFCSA-N 0 3 263.356 3.194 20 30 CGEDHN COCC#CCNC1(c2cccc(C)c2)CCCC1 ZINC000677818615 543467431 /nfs/dbraw/zinc/46/74/31/543467431.db2.gz DHDLRKFATZLXDW-UHFFFAOYSA-N 0 3 257.377 3.004 20 30 CGEDHN COCC#CCN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000677820530 543467900 /nfs/dbraw/zinc/46/79/00/543467900.db2.gz QKFZISSTMPLPET-KBPBESRZSA-N 0 3 279.811 3.414 20 30 CGEDHN COCC#CCN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000677818795 543468308 /nfs/dbraw/zinc/46/83/08/543468308.db2.gz IRSIZLBLJNZNGO-GOSISDBHSA-N 0 3 269.388 3.178 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000678739955 543552138 /nfs/dbraw/zinc/55/21/38/543552138.db2.gz ADPHAQGCQGGKCB-XJKSGUPXSA-N 0 3 263.381 3.061 20 30 CGEDHN COc1cc(CNCc2ccc(C#N)cc2)ccc1C ZINC000065976969 165035631 /nfs/dbraw/zinc/03/56/31/165035631.db2.gz QZZBCNGKTYVDPB-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN N#Cc1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000070938860 165065534 /nfs/dbraw/zinc/06/55/34/165065534.db2.gz ZPKXRCCVPOGBGE-UHFFFAOYSA-N 0 3 261.328 3.329 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000087771047 165188952 /nfs/dbraw/zinc/18/89/52/165188952.db2.gz ABOUZQXZUKPVFP-BBRMVZONSA-N 0 3 258.340 3.462 20 30 CGEDHN CC(C)[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093440652 287116455 /nfs/dbraw/zinc/11/64/55/287116455.db2.gz VTQDCRDQFKJTHT-INIZCTEOSA-N 0 3 296.418 3.464 20 30 CGEDHN CN(CCOc1ccccc1C#N)CCc1cccs1 ZINC000113552631 287147898 /nfs/dbraw/zinc/14/78/98/287147898.db2.gz BHWHZCAKXOCOKQ-UHFFFAOYSA-N 0 3 286.400 3.173 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000007379208 170281162 /nfs/dbraw/zinc/28/11/62/170281162.db2.gz PYDSDVHOQWSJET-UONOGXRCSA-N 0 3 293.370 3.236 20 30 CGEDHN C[C@@H](N[C@H](C)c1cccnc1)c1ccc(C#N)cc1 ZINC000020127564 171013033 /nfs/dbraw/zinc/01/30/33/171013033.db2.gz KVQVSAQWTPBMDM-CHWSQXEVSA-N 0 3 251.333 3.365 20 30 CGEDHN N#Cc1ccnc(NC2CCN(Cc3ccccc3)CC2)c1 ZINC000022263551 171382746 /nfs/dbraw/zinc/38/27/46/171382746.db2.gz DBPKGNMJJGHTNM-UHFFFAOYSA-N 0 3 292.386 3.030 20 30 CGEDHN COc1cc(C)cc(CNCc2ccc(C#N)cc2)c1 ZINC000127266262 287284131 /nfs/dbraw/zinc/28/41/31/287284131.db2.gz NJBHXDVHMRCVQN-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN C=CCCOCCNC/C=C/c1ccc(F)c(F)c1 ZINC000286515203 416525333 /nfs/dbraw/zinc/52/53/33/416525333.db2.gz MYUKTHJUHVUZIM-SNAWJCMRSA-N 0 3 267.319 3.160 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000679576173 543647890 /nfs/dbraw/zinc/64/78/90/543647890.db2.gz JYJNFOSYWLJFGM-LLVKDONJSA-N 0 3 269.772 3.202 20 30 CGEDHN CCC1(CC)[C@@H](NCc2cc(C#N)cs2)C[C@@H]1OC ZINC000131394644 287378324 /nfs/dbraw/zinc/37/83/24/287378324.db2.gz XDKPHMNSLZOYMT-KBPBESRZSA-N 0 3 278.421 3.303 20 30 CGEDHN COc1cc([C@H](C)NCc2ccc(CC#N)cc2)ccn1 ZINC000347688241 226234905 /nfs/dbraw/zinc/23/49/05/226234905.db2.gz UTYNKFSQWRIJLO-ZDUSSCGKSA-N 0 3 281.359 3.007 20 30 CGEDHN N#CC(C(=O)c1ccc(Cl)c(Cl)c1)c1ccncn1 ZINC000354469591 227007196 /nfs/dbraw/zinc/00/71/96/227007196.db2.gz RIIXICLDGJHVTH-VIFPVBQESA-N 0 3 292.125 3.273 20 30 CGEDHN N#CC(C(=O)c1ccc2c3c(cccc31)CC2)c1ccncn1 ZINC000354481904 227011678 /nfs/dbraw/zinc/01/16/78/227011678.db2.gz ZBTOTFSZDOCTGD-MRXNPFEDSA-N 0 3 299.333 3.218 20 30 CGEDHN C[C@H](Cc1ccsc1)NCc1ccc(C#N)s1 ZINC000135685674 287474262 /nfs/dbraw/zinc/47/42/62/287474262.db2.gz HPVNTIPZMSXKSD-SNVBAGLBSA-N 0 3 262.403 3.402 20 30 CGEDHN Cc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1C ZINC000336603464 227171472 /nfs/dbraw/zinc/17/14/72/227171472.db2.gz WGKZFNRELCYCQF-DZGCQCFKSA-N 0 3 256.349 3.127 20 30 CGEDHN C=CCCC(C)(C)NC(=O)Nc1cccc2c1CCNC2 ZINC000659017186 418956528 /nfs/dbraw/zinc/95/65/28/418956528.db2.gz GENWNIYWMVZCKT-UHFFFAOYSA-N 0 3 287.407 3.199 20 30 CGEDHN C=C(C)CN(C)CCSc1cccc(OC)c1 ZINC000660221736 419104900 /nfs/dbraw/zinc/10/49/00/419104900.db2.gz RBKBNKWHMIVFJO-UHFFFAOYSA-N 0 3 251.395 3.295 20 30 CGEDHN C=CCCN1CCCN(c2cccc(F)c2F)CC1 ZINC000660661155 419178935 /nfs/dbraw/zinc/17/89/35/419178935.db2.gz GNNUBXUWTJDGSP-UHFFFAOYSA-N 0 3 266.335 3.053 20 30 CGEDHN C=CCN(CCc1ccc(F)c(F)c1)[C@@H](C)COC ZINC000661244720 419244253 /nfs/dbraw/zinc/24/42/53/419244253.db2.gz XQYJRZFKTCIDHI-LBPRGKRZSA-N 0 3 269.335 3.030 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(OC)cc(C)n2)C1 ZINC000661381923 419255893 /nfs/dbraw/zinc/25/58/93/419255893.db2.gz QDLCZIIAYQSYFJ-CQSZACIVSA-N 0 3 260.381 3.187 20 30 CGEDHN C=CCCn1cc(CNCC(C)(C)c2ccc(C)cc2)nn1 ZINC000657352677 419257311 /nfs/dbraw/zinc/25/73/11/419257311.db2.gz KSIZMTJMBBGMMN-UHFFFAOYSA-N 0 3 298.434 3.230 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)Cc2ccc(C)cc2C)nn1 ZINC000657358200 419259445 /nfs/dbraw/zinc/25/94/45/419259445.db2.gz IAFRPGUWIAYMCQ-INIZCTEOSA-N 0 3 298.434 3.192 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C)n1CCC ZINC000661114767 419232141 /nfs/dbraw/zinc/23/21/41/419232141.db2.gz MCIAPUJSMNIDCT-GJZGRUSLSA-N 0 3 276.428 3.221 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2c(C)cccc2C)C1=O ZINC000661135428 419234106 /nfs/dbraw/zinc/23/41/06/419234106.db2.gz BVPSLJRZAHJQLH-IAGOWNOFSA-N 0 3 298.430 3.227 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2scnc2C)cc1 ZINC000657436468 419278912 /nfs/dbraw/zinc/27/89/12/419278912.db2.gz VFKUUSNKEBBQDJ-OAHLLOKOSA-N 0 3 288.416 3.145 20 30 CGEDHN C=CCCCNCc1cccc(F)c1OC(F)F ZINC000657454012 419282436 /nfs/dbraw/zinc/28/24/36/419282436.db2.gz GCDZVZOESRKDQN-UHFFFAOYSA-N 0 3 259.271 3.483 20 30 CGEDHN C=CCN(CC(=O)NCc1cccc(Cl)c1)C(C)(C)C ZINC000661755445 419294719 /nfs/dbraw/zinc/29/47/19/419294719.db2.gz QWEMOHGDPOEECP-UHFFFAOYSA-N 0 3 294.826 3.243 20 30 CGEDHN C=CCN(CC(=O)N(C)Cc1ccccc1F)C(C)(C)C ZINC000661755027 419294752 /nfs/dbraw/zinc/29/47/52/419294752.db2.gz GRZMQVFJGJAHGI-UHFFFAOYSA-N 0 3 292.398 3.071 20 30 CGEDHN C=CCN(CC(=O)N1CCCC[C@H]1CC)C(C)(C)C ZINC000661755223 419295188 /nfs/dbraw/zinc/29/51/88/419295188.db2.gz JNPOJVOCSVWDDJ-CQSZACIVSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCCC[C@@H]2CC=C)nn1 ZINC000657529701 419299533 /nfs/dbraw/zinc/29/95/33/419299533.db2.gz HAWMCFDGAJHNNZ-HOCLYGCPSA-N 0 3 274.412 3.079 20 30 CGEDHN C=CCOc1ccc(CNC[C@]2(C)CC2(F)F)cc1OC ZINC000657670128 419325877 /nfs/dbraw/zinc/32/58/77/419325877.db2.gz RZDQCNGEAPOZKM-HNNXBMFYSA-N 0 3 297.345 3.395 20 30 CGEDHN C=CCOCCCNCc1cc(Cl)ccc1F ZINC000657658515 419320831 /nfs/dbraw/zinc/32/08/31/419320831.db2.gz ZYLZBJJLZQJFDX-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000662081638 419333652 /nfs/dbraw/zinc/33/36/52/419333652.db2.gz PUJVJCNPGMPRMU-NXHRZFHOSA-N 0 3 298.430 3.183 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C1CC1)C1CCCC1 ZINC000662083593 419334521 /nfs/dbraw/zinc/33/45/21/419334521.db2.gz GVVAJXHVFHBDCC-CALCHBBNSA-N 0 3 288.435 3.103 20 30 CGEDHN C=CCCC[C@@H](C)N1CCOc2ccc(O)cc2C1 ZINC000662095823 419335897 /nfs/dbraw/zinc/33/58/97/419335897.db2.gz IJYJGAKGAIISLS-CYBMUJFWSA-N 0 3 261.365 3.331 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1snnc1C ZINC000658020615 419494507 /nfs/dbraw/zinc/49/45/07/419494507.db2.gz AFLYLKZTZAMLPV-NWDGAFQWSA-N 0 3 251.399 3.071 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCn2ccnc21 ZINC000658061056 419537504 /nfs/dbraw/zinc/53/75/04/419537504.db2.gz SCWXCELPGGNDHT-QLFBSQMISA-N 0 3 259.397 3.443 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1snnc1C ZINC000658020616 419495679 /nfs/dbraw/zinc/49/56/79/419495679.db2.gz AFLYLKZTZAMLPV-RYUDHWBXSA-N 0 3 251.399 3.071 20 30 CGEDHN C=CCC1(NC(=O)C[C@@H]2NCc3ccccc32)CCCC1 ZINC000662889250 419504924 /nfs/dbraw/zinc/50/49/24/419504924.db2.gz UVEOLDNQPNWSLN-INIZCTEOSA-N 0 3 284.403 3.226 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cnn(C(C)C)c1C ZINC000658208171 419661116 /nfs/dbraw/zinc/66/11/16/419661116.db2.gz YKIZPTDHQVGNCZ-ZDUSSCGKSA-N 0 3 265.401 3.016 20 30 CGEDHN C=CCC[C@@H](NCCc1cncc(C)n1)c1ccco1 ZINC000658261189 419717216 /nfs/dbraw/zinc/71/72/16/419717216.db2.gz GJQJWIZEMDGASK-OAHLLOKOSA-N 0 3 271.364 3.218 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](COC)C(C)C ZINC000086695715 260209568 /nfs/dbraw/zinc/20/95/68/260209568.db2.gz FCDMUOPEJAMLDH-HNNXBMFYSA-N 0 3 263.381 3.012 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000090451215 260259354 /nfs/dbraw/zinc/25/93/54/260259354.db2.gz CMGGARPLCWWNON-HNNXBMFYSA-N 0 3 293.407 3.337 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cc(C)ccc1OC ZINC000090451282 260359564 /nfs/dbraw/zinc/35/95/64/260359564.db2.gz ATVDOEVNSZSWGO-CQSZACIVSA-N 0 3 263.381 3.247 20 30 CGEDHN C=CCCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000448379337 261135241 /nfs/dbraw/zinc/13/52/41/261135241.db2.gz ZKUBSCIDWFJTEE-UHFFFAOYSA-N 0 3 295.471 3.106 20 30 CGEDHN C#CCN(CCCCn1ccnc1C)Cc1ccccc1 ZINC000491210334 261372346 /nfs/dbraw/zinc/37/23/46/261372346.db2.gz SKVGHTQFXGTDTK-UHFFFAOYSA-N 0 3 281.403 3.107 20 30 CGEDHN Cc1cc(CNC(C)(C)COC(C)C)ccc1C#N ZINC000412041718 533685317 /nfs/dbraw/zinc/68/53/17/533685317.db2.gz TVMNFRKNESGZFH-UHFFFAOYSA-N 0 3 260.381 3.160 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(-n3cccn3)cc2)C1 ZINC000185779832 262070867 /nfs/dbraw/zinc/07/08/67/262070867.db2.gz KPYUOZYNGGAEQL-HOTGVXAUSA-N 0 3 280.375 3.044 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cccc(Cn3cccn3)c2)C1 ZINC000185792621 262071323 /nfs/dbraw/zinc/07/13/23/262071323.db2.gz CQKVPIRWOSZOIH-YJBOKZPZSA-N 0 3 294.402 3.103 20 30 CGEDHN C=CCOc1ccccc1CN(C)C[C@@H]1CCCC[C@H]1O ZINC000497196409 262098823 /nfs/dbraw/zinc/09/88/23/262098823.db2.gz ABGBLSKFWMGROL-DOTOQJQBSA-N 0 3 289.419 3.234 20 30 CGEDHN CCOc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1OC ZINC000192865224 262211957 /nfs/dbraw/zinc/21/19/57/262211957.db2.gz LNKFGRKLMTYMEX-DZGCQCFKSA-N 0 3 288.391 3.266 20 30 CGEDHN COc1cc(F)cc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000193066624 262215373 /nfs/dbraw/zinc/21/53/73/262215373.db2.gz PEOHKDXDIUDHME-RISCZKNCSA-N 0 3 262.328 3.006 20 30 CGEDHN CCCCN(CCCC)CC(=O)Nc1ccc(C#N)cc1 ZINC000020360952 262245957 /nfs/dbraw/zinc/24/59/57/262245957.db2.gz SUHRNFNORPFJEZ-UHFFFAOYSA-N 0 3 287.407 3.399 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000111257250 262258345 /nfs/dbraw/zinc/25/83/45/262258345.db2.gz AMXZJQUJCWPGSQ-CABCVRRESA-N 0 3 286.419 3.150 20 30 CGEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000365046521 262269786 /nfs/dbraw/zinc/26/97/86/262269786.db2.gz VNZNQEUBRJZWMU-XEZPLFJOSA-N 0 3 286.375 3.191 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000188527213 262309745 /nfs/dbraw/zinc/30/97/45/262309745.db2.gz LODISNXPABELMT-KRWDZBQOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H](O)CC(F)(F)F ZINC000188592457 262322268 /nfs/dbraw/zinc/32/22/68/262322268.db2.gz ZCZOKJZFEFTHCK-SNVBAGLBSA-N 0 3 279.327 3.049 20 30 CGEDHN C[C@@H]1N(CCCCC(C)(C)C#N)CCOC1(C)C ZINC000336784807 262394985 /nfs/dbraw/zinc/39/49/85/262394985.db2.gz XVRYDMRDKQBAMR-ZDUSSCGKSA-N 0 3 252.402 3.206 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCCOC1 ZINC000336839143 262399603 /nfs/dbraw/zinc/39/96/03/262399603.db2.gz SMTKXTUFTKEJDE-NXHRZFHOSA-N 0 3 284.403 3.185 20 30 CGEDHN C=CCOCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000339061460 262590984 /nfs/dbraw/zinc/59/09/84/262590984.db2.gz KSLQFMJPUSZWQO-STQMWFEESA-N 0 3 263.356 3.336 20 30 CGEDHN Cc1ccccc1OCCNCc1ccc(C#N)cc1 ZINC000077507033 269920812 /nfs/dbraw/zinc/92/08/12/269920812.db2.gz HDXBHEYJMFVIIL-UHFFFAOYSA-N 0 3 266.344 3.035 20 30 CGEDHN N#CC1(CCN2CCc3ccccc3[C@@H]2CO)CCCCC1 ZINC000411392497 262692047 /nfs/dbraw/zinc/69/20/47/262692047.db2.gz PYYZRENFODLDEF-SFHVURJKSA-N 0 3 298.430 3.442 20 30 CGEDHN CC(C#N)C(=O)N[C@@](C)(Cc1ccccc1)c1ccccc1 ZINC000414054386 262797929 /nfs/dbraw/zinc/79/79/29/262797929.db2.gz MZQXKOYOBTVQIN-BEFAXECRSA-N 0 3 292.382 3.420 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(-n2cccn2)cc1 ZINC000272041082 263001518 /nfs/dbraw/zinc/00/15/18/263001518.db2.gz QZJMRPCXGYHAGG-AWEZNQCLSA-N 0 3 282.391 3.463 20 30 CGEDHN CC1(C#N)CCN(CCCOCCc2ccccc2)CC1 ZINC000272597904 263007475 /nfs/dbraw/zinc/00/74/75/263007475.db2.gz QNCJAVXHADLOTN-UHFFFAOYSA-N 0 3 286.419 3.261 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000272904692 263009844 /nfs/dbraw/zinc/00/98/44/263009844.db2.gz GOWWSIDLFHUYIV-BUXKBTBVSA-N 0 3 278.421 3.014 20 30 CGEDHN N#CCCCNCc1ccccc1OCc1cccnc1 ZINC000273039181 263011388 /nfs/dbraw/zinc/01/13/88/263011388.db2.gz ICNFENOEWXQJKS-UHFFFAOYSA-N 0 3 281.359 3.054 20 30 CGEDHN N#CCCCNCc1ccc(OCc2ccncc2)cc1 ZINC000273100078 263012713 /nfs/dbraw/zinc/01/27/13/263012713.db2.gz VMNZGQQVQJFYNM-UHFFFAOYSA-N 0 3 281.359 3.054 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000275643875 263033690 /nfs/dbraw/zinc/03/36/90/263033690.db2.gz SGFSEBLKIODQQU-DJIMGWMZSA-N 0 3 267.376 3.356 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000276261453 263035296 /nfs/dbraw/zinc/03/52/96/263035296.db2.gz BDLQNOVXYVXOOW-KBPBESRZSA-N 0 3 268.364 3.215 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000276261461 263035348 /nfs/dbraw/zinc/03/53/48/263035348.db2.gz BDLQNOVXYVXOOW-KGLIPLIRSA-N 0 3 268.364 3.215 20 30 CGEDHN CN(Cc1ccc(OC(F)F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278748623 263050523 /nfs/dbraw/zinc/05/05/23/263050523.db2.gz WVRYJHSKZMSOIQ-STQMWFEESA-N 0 3 280.318 3.412 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000279313545 263054644 /nfs/dbraw/zinc/05/46/44/263054644.db2.gz NKRCYLFMSHMHIF-SFHVURJKSA-N 0 3 286.419 3.489 20 30 CGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000279514190 263055918 /nfs/dbraw/zinc/05/59/18/263055918.db2.gz RYCYCFAEPODFFK-INIZCTEOSA-N 0 3 295.386 3.032 20 30 CGEDHN CC(C)CC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279544551 263056056 /nfs/dbraw/zinc/05/60/56/263056056.db2.gz VXNNRYCALWCRDJ-YOEHRIQHSA-N 0 3 297.402 3.181 20 30 CGEDHN CC1=C(C)CN(Cc2ccc(OCC#N)cc2)CC1 ZINC000280730294 263064054 /nfs/dbraw/zinc/06/40/54/263064054.db2.gz LEDQHRHQIFEFRQ-UHFFFAOYSA-N 0 3 256.349 3.131 20 30 CGEDHN C[C@@H](c1ccco1)N(C)CCCC1(C#N)CCOCC1 ZINC000282076569 263074290 /nfs/dbraw/zinc/07/42/90/263074290.db2.gz TZRVALTYWGOWAE-AWEZNQCLSA-N 0 3 276.380 3.373 20 30 CGEDHN C#C[C@H](NCc1ccc(N(C)CCC#N)cc1)C(C)(C)C ZINC000290065076 263114346 /nfs/dbraw/zinc/11/43/46/263114346.db2.gz FMLORDIGELBBDU-KRWDZBQOSA-N 0 3 283.419 3.174 20 30 CGEDHN C[C@H](c1ccccc1)N(CCOCCC#N)C1CC1 ZINC000292723105 263134551 /nfs/dbraw/zinc/13/45/51/263134551.db2.gz FZHKGKMEZLZWQV-CQSZACIVSA-N 0 3 258.365 3.142 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000293229357 263138657 /nfs/dbraw/zinc/13/86/57/263138657.db2.gz VWOVECYTQBBSMK-INWMFGNUSA-N 0 3 258.340 3.307 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)Cc2ccccc2O1 ZINC000293539327 263142806 /nfs/dbraw/zinc/14/28/06/263142806.db2.gz KBRBWKDCBLWFBK-DZGCQCFKSA-N 0 3 270.376 3.352 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000293579898 263143491 /nfs/dbraw/zinc/14/34/91/263143491.db2.gz SZZDEKZVTCXZPY-FHLIZLRMSA-N 0 3 284.403 3.124 20 30 CGEDHN CCN(Cc1ccc(OC)cc1OC)[C@@H](C)CCC#N ZINC000298140898 263215535 /nfs/dbraw/zinc/21/55/35/263215535.db2.gz ODPZRYCNDJDQAR-ZDUSSCGKSA-N 0 3 276.380 3.218 20 30 CGEDHN C[C@@H](CCC#N)N1CCN(c2ccnc3ccccc32)CC1 ZINC000298525055 263221556 /nfs/dbraw/zinc/22/15/56/263221556.db2.gz LULKDWIZINWVGD-HNNXBMFYSA-N 0 3 294.402 3.049 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000298553578 263221681 /nfs/dbraw/zinc/22/16/81/263221681.db2.gz YWZSLVWQGQGSBZ-WFASDCNBSA-N 0 3 278.783 3.485 20 30 CGEDHN CC#CCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000119591214 263275683 /nfs/dbraw/zinc/27/56/83/263275683.db2.gz UJOSRQJYPPWPTM-INIZCTEOSA-N 0 3 277.795 3.109 20 30 CGEDHN C=CCCOCCNCc1cccc(Br)c1 ZINC000120858571 263288603 /nfs/dbraw/zinc/28/86/03/263288603.db2.gz JPJMMQPYLDTNFL-UHFFFAOYSA-N 0 3 284.197 3.131 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(F)cc1Cl ZINC000341882435 263362523 /nfs/dbraw/zinc/36/25/23/263362523.db2.gz SQHLYGHSSBZFKU-GHMZBOCLSA-N 0 3 271.763 3.314 20 30 CGEDHN COCC1(C#N)CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000341990625 263382446 /nfs/dbraw/zinc/38/24/46/263382446.db2.gz NPPCUXHLVIAFAS-UHFFFAOYSA-N 0 3 272.392 3.056 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](CO)[C@@H]2C)cc1Cl ZINC000425962741 264228303 /nfs/dbraw/zinc/22/83/03/264228303.db2.gz JBZWPDLLGASGSR-GXTWGEPZSA-N 0 3 295.810 3.108 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000070754213 264237621 /nfs/dbraw/zinc/23/76/21/264237621.db2.gz MYDVXVLJVYLBMQ-KBPBESRZSA-N 0 3 282.387 3.181 20 30 CGEDHN C=C(C)CNCc1cc(F)cc(Br)c1 ZINC000160355954 264241876 /nfs/dbraw/zinc/24/18/76/264241876.db2.gz AMMJWRFWWMDHDX-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN C=CCCOCCNCc1cc2cc(OC)ccc2o1 ZINC000127995641 264274007 /nfs/dbraw/zinc/27/40/07/264274007.db2.gz HLCBBJPSYXSFNJ-UHFFFAOYSA-N 0 3 275.348 3.124 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000076801865 264343753 /nfs/dbraw/zinc/34/37/53/264343753.db2.gz ZFTRXKCGMOKVRB-HUUCEWRRSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CCC[C@@H](NCC(=O)N[C@H](C)CC)c1ccccc1 ZINC000180043395 264394494 /nfs/dbraw/zinc/39/44/94/264394494.db2.gz NJECMOBJRHYYBY-GDBMZVCRSA-N 0 3 274.408 3.198 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(CC)o1 ZINC000280731764 264460079 /nfs/dbraw/zinc/46/00/79/264460079.db2.gz GXSRPVZUMWRIKR-WWGRRREGSA-N 0 3 263.381 3.474 20 30 CGEDHN C=CCSCCN[C@@H]1CCCc2c(O)cccc21 ZINC000285334142 264553136 /nfs/dbraw/zinc/55/31/36/264553136.db2.gz ULOVMTMZNUDMKC-CQSZACIVSA-N 0 3 263.406 3.278 20 30 CGEDHN O[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C12CCCC2 ZINC000292611144 264882053 /nfs/dbraw/zinc/88/20/53/264882053.db2.gz FIIUZENZZZRHRL-INIZCTEOSA-N 0 3 289.806 3.071 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000320683770 265016994 /nfs/dbraw/zinc/01/69/94/265016994.db2.gz VGVJQSARGSZWJR-JSGCOSHPSA-N 0 3 289.375 3.419 20 30 CGEDHN C[C@@H](C1CCC1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000357046869 266238631 /nfs/dbraw/zinc/23/86/31/266238631.db2.gz YHWNGKGEBYPGHP-HNNXBMFYSA-N 0 3 299.418 3.054 20 30 CGEDHN CCC(C)(C)C1CCC(NC(=O)C(C)C#N)CC1 ZINC000357814474 266371294 /nfs/dbraw/zinc/37/12/94/266371294.db2.gz GJIXXVUWCXMHJN-HIFPTAJRSA-N 0 3 250.386 3.257 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)C#N ZINC000357818156 266372496 /nfs/dbraw/zinc/37/24/96/266372496.db2.gz BXHUFYYLIPZRRD-SECBINFHSA-N 0 3 268.769 3.076 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(C#N)ccc1OC ZINC000399742142 266385306 /nfs/dbraw/zinc/38/53/06/266385306.db2.gz JJRKYACRWMRNDG-IUODEOHRSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCCC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000368886070 267211506 /nfs/dbraw/zinc/21/15/06/267211506.db2.gz UMMSZYRHMSNQMA-UHFFFAOYSA-N 0 3 286.419 3.042 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@H](c3cccnc3)C2)CCC1 ZINC000418139610 267362631 /nfs/dbraw/zinc/36/26/31/267362631.db2.gz HVCCFBVJORTISV-HOCLYGCPSA-N 0 3 269.392 3.391 20 30 CGEDHN C[C@H](CCc1ccc2c(c1)OCO2)NCC1(C#N)CCC1 ZINC000418143471 267364906 /nfs/dbraw/zinc/36/49/06/267364906.db2.gz POJMRWSFTJODJA-CYBMUJFWSA-N 0 3 286.375 3.020 20 30 CGEDHN C=C(C)CN1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000375807586 267906218 /nfs/dbraw/zinc/90/62/18/267906218.db2.gz BXFLKUCAEBDCAP-QGZVFWFLSA-N 0 3 278.440 3.066 20 30 CGEDHN Cc1ccc(CNCCOc2ccc(C#N)cc2)cc1C ZINC000237738499 287655593 /nfs/dbraw/zinc/65/55/93/287655593.db2.gz KMQZLMLDTXYAFY-UHFFFAOYSA-N 0 3 280.371 3.344 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@H](C)c1ccc(C#N)cc1)OC ZINC000294182303 287714509 /nfs/dbraw/zinc/71/45/09/287714509.db2.gz KFPMBNVHPPILSB-ZENOOKHLSA-N 0 3 260.381 3.270 20 30 CGEDHN N#Cc1ccc(CN[C@H](CN2CCCC2)c2ccccc2)o1 ZINC000174254164 274922915 /nfs/dbraw/zinc/92/29/15/274922915.db2.gz DLYSOYDDUHZMRS-GOSISDBHSA-N 0 3 295.386 3.078 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(F)cc1Cl ZINC000186711223 275433517 /nfs/dbraw/zinc/43/35/17/275433517.db2.gz JBINWADUWNEMTM-KOLCDFICSA-N 0 3 257.736 3.067 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000347061330 278132536 /nfs/dbraw/zinc/13/25/36/278132536.db2.gz FGRIBTYQNOWHNS-SNVBAGLBSA-N 0 3 296.292 3.356 20 30 CGEDHN CC1(C#N)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000336278594 278171140 /nfs/dbraw/zinc/17/11/40/278171140.db2.gz URVYSNILYHQIGH-UHFFFAOYSA-N 0 3 259.397 3.476 20 30 CGEDHN CC1(C)CC[C@H](CN(Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000186795761 278275977 /nfs/dbraw/zinc/27/59/77/278275977.db2.gz QYGFMMDEJVUWKR-QGZVFWFLSA-N 0 3 284.403 3.480 20 30 CGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CCCCO1 ZINC000353665358 278276507 /nfs/dbraw/zinc/27/65/07/278276507.db2.gz YGVMXUSNSDLOBK-VUCTXSBTSA-N 0 3 270.376 3.093 20 30 CGEDHN N#CC1(F)CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348712674 279477593 /nfs/dbraw/zinc/47/75/93/279477593.db2.gz ITNZFWREUVAEPM-CABCVRRESA-N 0 3 258.340 3.118 20 30 CGEDHN C[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@H](C)N1C ZINC000338789445 279880433 /nfs/dbraw/zinc/88/04/33/279880433.db2.gz WLVRNLJXYVDYQY-QWRGUYRKSA-N 0 3 297.324 3.106 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2-n2cccn2)C1 ZINC000192775979 327877712 /nfs/dbraw/zinc/87/77/12/327877712.db2.gz IYFQKVXFJKWVBH-HOCLYGCPSA-N 0 3 280.375 3.044 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@@H](CCCO)c2ccccc2)C1 ZINC000192892137 327878812 /nfs/dbraw/zinc/87/88/12/327878812.db2.gz BKICDQNNIANIJD-UAGQMJEPSA-N 0 3 272.392 3.172 20 30 CGEDHN CC[C@H](CC#N)NCCCOc1ccc(C)c(C)c1 ZINC000563366320 328059465 /nfs/dbraw/zinc/05/94/65/328059465.db2.gz PZFJZZRCEKYKSM-OAHLLOKOSA-N 0 3 260.381 3.354 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000411767272 328099363 /nfs/dbraw/zinc/09/93/63/328099363.db2.gz NNGADVIRXSITHW-STQMWFEESA-N 0 3 286.354 3.354 20 30 CGEDHN CCOc1cccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000274672935 328212691 /nfs/dbraw/zinc/21/26/91/328212691.db2.gz YGYCEHSLAYFSSU-GUTXKFCHSA-N 0 3 258.365 3.428 20 30 CGEDHN CN(CCOc1ccc(Cl)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278604536 328228031 /nfs/dbraw/zinc/22/80/31/328228031.db2.gz MBPIJQGBBXLKAN-JSGCOSHPSA-N 0 3 278.783 3.343 20 30 CGEDHN COc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000278623612 328228657 /nfs/dbraw/zinc/22/86/57/328228657.db2.gz NOAGFWHRAJDEAI-DZGCQCFKSA-N 0 3 258.365 3.128 20 30 CGEDHN COc1cccc(C2(N[C@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000278637257 328228871 /nfs/dbraw/zinc/22/88/71/328228871.db2.gz HICVKGIBCDOXIS-ZFWWWQNUSA-N 0 3 270.376 3.356 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H](c2ccncc2)C1 ZINC000295930518 328288021 /nfs/dbraw/zinc/28/80/21/328288021.db2.gz KHGITCPJYIBWJP-HNNXBMFYSA-N 0 3 257.381 3.201 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000294916585 328283886 /nfs/dbraw/zinc/28/38/86/328283886.db2.gz AMYVZQVDKFBBAZ-JQWIXIFHSA-N 0 3 293.754 3.420 20 30 CGEDHN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1C ZINC000295082299 328284920 /nfs/dbraw/zinc/28/49/20/328284920.db2.gz QMROKEZXEMKVIU-ZFWWWQNUSA-N 0 3 258.365 3.181 20 30 CGEDHN CN1CCC(Nc2cccc(C(F)F)c2C#N)CC1 ZINC000566093038 322104292 /nfs/dbraw/zinc/10/42/92/322104292.db2.gz ZSDKERDHIARVNJ-UHFFFAOYSA-N 0 3 265.307 3.002 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)C ZINC000566301395 322114360 /nfs/dbraw/zinc/11/43/60/322114360.db2.gz LVKGLXAQSWPKSF-UHFFFAOYSA-N 0 3 275.352 3.334 20 30 CGEDHN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571350081 322296519 /nfs/dbraw/zinc/29/65/19/322296519.db2.gz BCOPMWGJXVWWNL-CQSZACIVSA-N 0 3 298.361 3.080 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](O)C(CC)CC ZINC000111404493 328354433 /nfs/dbraw/zinc/35/44/33/328354433.db2.gz QSJUNFIKWGNEAU-INIZCTEOSA-N 0 3 277.408 3.138 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000121065032 328365357 /nfs/dbraw/zinc/36/53/57/328365357.db2.gz JBDDNZJPFXBCAW-AWEZNQCLSA-N 0 3 290.407 3.310 20 30 CGEDHN Cc1[nH]c2ccccc2c1CCNC[C@@H](C#N)CCC#N ZINC000558506711 327099841 /nfs/dbraw/zinc/09/98/41/327099841.db2.gz JLUOVRJTBNGVPD-CQSZACIVSA-N 0 3 280.375 3.052 20 30 CGEDHN COCc1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000569599645 327208836 /nfs/dbraw/zinc/20/88/36/327208836.db2.gz VUTIVWLCQQKCFB-UHFFFAOYSA-N 0 3 272.392 3.349 20 30 CGEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(CC#N)cc1 ZINC000559649174 327256810 /nfs/dbraw/zinc/25/68/10/327256810.db2.gz DCVXTOPIAQLDCE-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185961542 327525455 /nfs/dbraw/zinc/52/54/55/327525455.db2.gz KQYSRQSITDWACB-IUODEOHRSA-N 0 3 294.826 3.071 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000569696336 327536683 /nfs/dbraw/zinc/53/66/83/327536683.db2.gz UJYMKDYQGWYLEF-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC000160071281 327591426 /nfs/dbraw/zinc/59/14/26/327591426.db2.gz OXDZGPKKTLRDPH-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN N#CC1(F)CCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000352456738 328751517 /nfs/dbraw/zinc/75/15/17/328751517.db2.gz AKQKFUHOGSGGMP-LLVKDONJSA-N 0 3 260.303 3.140 20 30 CGEDHN COc1cccc([C@@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000193899806 329062594 /nfs/dbraw/zinc/06/25/94/329062594.db2.gz PVHYAQWMASTRMB-CQSZACIVSA-N 0 3 296.370 3.448 20 30 CGEDHN C=CCN(CCc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000172157770 329081679 /nfs/dbraw/zinc/08/16/79/329081679.db2.gz IBSRUKSNKDTYSH-UHFFFAOYSA-N 0 3 297.358 3.221 20 30 CGEDHN C=CCCN(C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418340220 329170116 /nfs/dbraw/zinc/17/01/16/329170116.db2.gz CFEXFAXNJLUEQV-INIZCTEOSA-N 0 3 289.423 3.027 20 30 CGEDHN C=CCCCC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000178876065 329200518 /nfs/dbraw/zinc/20/05/18/329200518.db2.gz VRXYPFJWSPGVAJ-INIZCTEOSA-N 0 3 274.408 3.282 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(F)cc1N(C)C ZINC000180456836 329217263 /nfs/dbraw/zinc/21/72/63/329217263.db2.gz ZDANBDZPVVPXKH-GFCCVEGCSA-N 0 3 282.428 3.462 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC)c(COCC)c1 ZINC000181044203 329225105 /nfs/dbraw/zinc/22/51/05/329225105.db2.gz ZABQXEHUPZMONU-UHFFFAOYSA-N 0 3 263.381 3.240 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OCC)c(OCC)c1 ZINC000181298763 329230477 /nfs/dbraw/zinc/23/04/77/329230477.db2.gz HCPYQLWFPAKOPY-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000184095358 329256260 /nfs/dbraw/zinc/25/62/60/329256260.db2.gz SUGIAEJHDQAHEY-USXIJHARSA-N 0 3 271.408 3.104 20 30 CGEDHN C=CCCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186324714 329341042 /nfs/dbraw/zinc/34/10/42/329341042.db2.gz NJTHXNLUYHDMAB-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCCCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000572423118 330070818 /nfs/dbraw/zinc/07/08/18/330070818.db2.gz RKQUYQTZPJSGFD-INIZCTEOSA-N 0 3 278.440 3.256 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274984451 330108598 /nfs/dbraw/zinc/10/85/98/330108598.db2.gz ZRXMMZPZRZSULO-GFCCVEGCSA-N 0 3 279.815 3.036 20 30 CGEDHN CC[C@H](c1ccccc1)N(CC)C(=O)[C@H](N)CCCC#N ZINC000424081573 330222200 /nfs/dbraw/zinc/22/22/00/330222200.db2.gz AHAGCAKAPWGSLX-HZPDHXFCSA-N 0 3 287.407 3.007 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(F)ccc1F ZINC000424118194 330243991 /nfs/dbraw/zinc/24/39/91/330243991.db2.gz BIVRIEVEKFBDPU-PGUXBMHVSA-N 0 3 267.319 3.207 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccccn2)C2CCC2)C1 ZINC000527962649 330300710 /nfs/dbraw/zinc/30/07/10/330300710.db2.gz HFIPVFZXHSQXSJ-IVMMDQJWSA-N 0 3 255.365 3.205 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424188757 330321988 /nfs/dbraw/zinc/32/19/88/330321988.db2.gz CHIVHONOEFYFCT-DZGCQCFKSA-N 0 3 256.349 3.033 20 30 CGEDHN C=CCn1cc(CN[C@H](C)CC(C)(C)c2ccccc2)nn1 ZINC000424291175 330334876 /nfs/dbraw/zinc/33/48/76/330334876.db2.gz DEFRUVHUIOHNEB-OAHLLOKOSA-N 0 3 298.434 3.310 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2cccnc2)C2CCC2)C1 ZINC000424334411 330343142 /nfs/dbraw/zinc/34/31/42/330343142.db2.gz VLYMBJLURGYDEZ-UHOFOFEASA-N 0 3 255.365 3.205 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cc2cc(C)c(C)cc2o1 ZINC000537023726 330385606 /nfs/dbraw/zinc/38/56/06/330385606.db2.gz KUQQPYOVPQGDOI-CQSZACIVSA-N 0 3 273.376 3.324 20 30 CGEDHN Cc1c([C@@H](C)NCC2(CC#N)CC2)cccc1[N+](=O)[O-] ZINC000430734275 330571759 /nfs/dbraw/zinc/57/17/59/330571759.db2.gz LOJYWVPSJCPXBG-GFCCVEGCSA-N 0 3 273.336 3.248 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc(CCC)cs1 ZINC000435739506 330661570 /nfs/dbraw/zinc/66/15/70/330661570.db2.gz GQVJJMKRJQXUTA-IUODEOHRSA-N 0 3 280.437 3.166 20 30 CGEDHN N#CCC[C@@H](NCC[C@H]1CCOC1)c1ccccc1 ZINC000437760643 330707823 /nfs/dbraw/zinc/70/78/23/330707823.db2.gz QQYHORDJVLMJQN-GOEBONIOSA-N 0 3 258.365 3.048 20 30 CGEDHN Fc1ccc(C#CCN2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000438569402 330727475 /nfs/dbraw/zinc/72/74/75/330727475.db2.gz FEXSUDNKIXYPLD-HZPDHXFCSA-N 0 3 257.352 3.299 20 30 CGEDHN C[C@H](COc1ccc(F)cc1F)N[C@@H]1CC[C@@H](C#N)C1 ZINC000442777744 330782447 /nfs/dbraw/zinc/78/24/47/330782447.db2.gz ABZNWZKPCSZSAB-NQBHXWOUSA-N 0 3 280.318 3.014 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)C1 ZINC000442793401 330784010 /nfs/dbraw/zinc/78/40/10/330784010.db2.gz RRZCYLDYMWAZNA-ZFVVBOAOSA-N 0 3 288.366 3.328 20 30 CGEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1c(C)nn(C)c1C ZINC000447536390 330868723 /nfs/dbraw/zinc/86/87/23/330868723.db2.gz MUXHZNAUPCFDKM-KKUMJFAQSA-N 0 3 274.412 3.160 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@H](CC)C1 ZINC000449146450 330901732 /nfs/dbraw/zinc/90/17/32/330901732.db2.gz CICZOBFQWVWUOT-JKSUJKDBSA-N 0 3 275.392 3.299 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449350870 330917408 /nfs/dbraw/zinc/91/74/08/330917408.db2.gz XJZQAEIAMBQOAE-SGMGOOAPSA-N 0 3 273.336 3.328 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)cc1C ZINC000449521525 330933550 /nfs/dbraw/zinc/93/35/50/330933550.db2.gz SARJILBSPPKSDD-KGLIPLIRSA-N 0 3 296.208 3.191 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)cc1Cl ZINC000449548366 330935587 /nfs/dbraw/zinc/93/55/87/330935587.db2.gz MTOWKMIDAYZOKD-CABCVRRESA-N 0 3 281.783 3.172 20 30 CGEDHN C=C(CC)CNCc1cn(-c2ccccc2)nc1C ZINC000449736083 330947010 /nfs/dbraw/zinc/94/70/10/330947010.db2.gz VVOXJPSIFWWOSZ-UHFFFAOYSA-N 0 3 255.365 3.237 20 30 CGEDHN N#CC1(F)CCN(CC/C=C/c2ccccc2)CC1 ZINC000450978265 331009824 /nfs/dbraw/zinc/00/98/24/331009824.db2.gz XVJPBSPIBNXBOB-XBXARRHUSA-N 0 3 258.340 3.418 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccccc1OC(C)C ZINC000451676521 331038614 /nfs/dbraw/zinc/03/86/14/331038614.db2.gz SLJYZCYAGWRTFO-CVEARBPZSA-N 0 3 275.392 3.297 20 30 CGEDHN C=CCOCCN1CCC[C@H]1c1ccc(F)cc1C ZINC000451994332 331049595 /nfs/dbraw/zinc/04/95/95/331049595.db2.gz PZVCFXJMWQNEAW-INIZCTEOSA-N 0 3 263.356 3.474 20 30 CGEDHN C=CC(C)(C)CN[C@@H](C)c1cc(OC)ncc1F ZINC000453303467 331113587 /nfs/dbraw/zinc/11/35/87/331113587.db2.gz CHINBAYIAQQMTM-JTQLQIEISA-N 0 3 252.333 3.092 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000453352013 331120782 /nfs/dbraw/zinc/12/07/82/331120782.db2.gz KNWLEYJDTOAKIN-GDBMZVCRSA-N 0 3 287.403 3.350 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000453353144 331121029 /nfs/dbraw/zinc/12/10/29/331121029.db2.gz MRESAPLQEVDBEH-BBWFWOEESA-N 0 3 273.376 3.093 20 30 CGEDHN C=CCC[C@H](CO)N[C@H]1CCSc2ccc(F)cc21 ZINC000453354325 331121250 /nfs/dbraw/zinc/12/12/50/331121250.db2.gz LLTKQPHOZZFKTG-OCCSQVGLSA-N 0 3 281.396 3.279 20 30 CGEDHN C=C(CC)CN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000453366018 331123187 /nfs/dbraw/zinc/12/31/87/331123187.db2.gz OYYIMGKEEJZCKU-CYBMUJFWSA-N 0 3 262.328 3.155 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453372878 331124314 /nfs/dbraw/zinc/12/43/14/331124314.db2.gz VIEFMQNSKBEDTE-GDBMZVCRSA-N 0 3 299.418 3.065 20 30 CGEDHN Cc1csc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000456137442 331185243 /nfs/dbraw/zinc/18/52/43/331185243.db2.gz XIWUKTJWQHHTOB-OAHLLOKOSA-N 0 3 298.411 3.445 20 30 CGEDHN CC(C#N)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000456777375 331203107 /nfs/dbraw/zinc/20/31/07/331203107.db2.gz QZSHTZUXSSSYPG-BMFZPTHFSA-N 0 3 270.376 3.236 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000457233100 331216771 /nfs/dbraw/zinc/21/67/71/331216771.db2.gz GEQYIACVKKNJMS-ZWKOTPCHSA-N 0 3 296.414 3.454 20 30 CGEDHN C=CCC1(NC(=O)NC[C@@H](C)N(C)C2CC2)CCCCC1 ZINC000458289850 331247501 /nfs/dbraw/zinc/24/75/01/331247501.db2.gz LZQNCKBAYDSMHW-CQSZACIVSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCN1CCC(NC(=O)NC2(CC)CCCCC2)CC1 ZINC000458318554 331248372 /nfs/dbraw/zinc/24/83/72/331248372.db2.gz DWFFWXFUZQPYAL-UHFFFAOYSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CCOc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459692527 331294750 /nfs/dbraw/zinc/29/47/50/331294750.db2.gz MAARPCBNFMRRGZ-UHFFFAOYSA-N 0 3 258.365 3.281 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCCCO2 ZINC000459726361 331296003 /nfs/dbraw/zinc/29/60/03/331296003.db2.gz FDSUDUFHPJTMSR-CYBMUJFWSA-N 0 3 288.391 3.438 20 30 CGEDHN CCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1F ZINC000487562559 331974660 /nfs/dbraw/zinc/97/46/60/331974660.db2.gz SPKDQKNBXYEPGJ-AAEUAGOBSA-N 0 3 262.328 3.006 20 30 CGEDHN C#CCN(Cc1ccnc(Br)c1)C1CCCC1 ZINC000491202398 332164932 /nfs/dbraw/zinc/16/49/32/332164932.db2.gz NWOVQRXARWLEKE-UHFFFAOYSA-N 0 3 293.208 3.222 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cnnn1Cc1ccccc1 ZINC000491293908 332182892 /nfs/dbraw/zinc/18/28/92/332182892.db2.gz HMWBUQJUTWGSIM-OAHLLOKOSA-N 0 3 284.407 3.161 20 30 CGEDHN C#C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000491386215 332202284 /nfs/dbraw/zinc/20/22/84/332202284.db2.gz UNFKJJJKNODNCT-NOLJZWGESA-N 0 3 277.795 3.419 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC(C)(C)C)C(C)C ZINC000496014408 332536372 /nfs/dbraw/zinc/53/63/72/332536372.db2.gz OOGXHNQOHNRXST-HNNXBMFYSA-N 0 3 280.456 3.237 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000183677963 333121463 /nfs/dbraw/zinc/12/14/63/333121463.db2.gz UGZFJHOJEUXNSV-GJZGRUSLSA-N 0 3 292.467 3.215 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cccc3cccnc32)C1 ZINC000185882652 333150996 /nfs/dbraw/zinc/15/09/96/333150996.db2.gz FAVQNBJMWRLWCB-BBRMVZONSA-N 0 3 265.360 3.407 20 30 CGEDHN C=CCOc1cccc(CNC[C@H]2CCC(C)(C)O2)c1 ZINC000189735949 333198484 /nfs/dbraw/zinc/19/84/84/333198484.db2.gz PVHKYVISZGRUCE-MRXNPFEDSA-N 0 3 275.392 3.299 20 30 CGEDHN C#C[C@H](CC)NCc1cc(Br)cs1 ZINC000229533472 333306029 /nfs/dbraw/zinc/30/60/29/333306029.db2.gz ZSUAILLQJVWAPX-SECBINFHSA-N 0 3 258.184 3.012 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CCCC)C2CC2)CC1 ZINC000524669260 333370572 /nfs/dbraw/zinc/37/05/72/333370572.db2.gz XZYAEPDCPIQRNW-UHFFFAOYSA-N 0 3 293.455 3.001 20 30 CGEDHN C=C(C)COCCNCc1ccc(C)c(Br)c1 ZINC000127915379 333637852 /nfs/dbraw/zinc/63/78/52/333637852.db2.gz BXPYKUODNWLIPZ-UHFFFAOYSA-N 0 3 298.224 3.440 20 30 CGEDHN C[C@H]1CCCC[C@@H]1OCCN1CCC(CC#N)CC1 ZINC000541022474 333759707 /nfs/dbraw/zinc/75/97/07/333759707.db2.gz FZIXTDMOHHPGGS-HOCLYGCPSA-N 0 3 264.413 3.207 20 30 CGEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000542578296 333833112 /nfs/dbraw/zinc/83/31/12/333833112.db2.gz JKGHUWUAZMFZKS-HIFRSBDPSA-N 0 3 277.795 3.096 20 30 CGEDHN C=CCOCCN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000549866404 334207307 /nfs/dbraw/zinc/20/73/07/334207307.db2.gz UWUSTHZZAYPXQN-UHFFFAOYSA-N 0 3 294.483 3.021 20 30 CGEDHN CC[C@@](C)(C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000550748686 334228264 /nfs/dbraw/zinc/22/82/64/334228264.db2.gz XFLMRSUEZQOJFJ-SFHVURJKSA-N 0 3 299.418 3.095 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000554075167 334409630 /nfs/dbraw/zinc/40/96/30/334409630.db2.gz SIJNEGWEQYUGOH-LJIGWXMPSA-N 0 3 292.467 3.214 20 30 CGEDHN Cc1ccc(C[C@H](C)N(C)Cc2ccc(C#N)cn2)cc1 ZINC000576475995 335209095 /nfs/dbraw/zinc/20/90/95/335209095.db2.gz QXRJMQXZDKCVSZ-HNNXBMFYSA-N 0 3 279.387 3.325 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1cncc(Br)c1 ZINC000576599990 335225222 /nfs/dbraw/zinc/22/52/22/335225222.db2.gz REUUZLVXSNSRLG-JTQLQIEISA-N 0 3 296.212 3.435 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000577035080 335286104 /nfs/dbraw/zinc/28/61/04/335286104.db2.gz PAZQJHXZGXTXPU-GDLCADMTSA-N 0 3 281.783 3.343 20 30 CGEDHN COc1cc(CNCc2cc(C#N)cs2)ccc1C ZINC000177691628 335379148 /nfs/dbraw/zinc/37/91/48/335379148.db2.gz NSZKQTAHEWJPOH-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN Cc1cccc(OC[C@@H](C)NCc2cc(C#N)cs2)c1 ZINC000177689233 335379294 /nfs/dbraw/zinc/37/92/94/335379294.db2.gz YKYKNROEMDAJLP-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000349428998 335467242 /nfs/dbraw/zinc/46/72/42/335467242.db2.gz PIYIKWJAXNMYBY-KYOSRNDESA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCC[C@@H](NCC(=O)NCCCC)c1ccccc1 ZINC000180039170 335543768 /nfs/dbraw/zinc/54/37/68/335543768.db2.gz DECDKGBZWSCUPV-MRXNPFEDSA-N 0 3 274.408 3.200 20 30 CGEDHN C=CCN1CCC(NC(=O)CCCCC(C)(C)C)CC1 ZINC000578213871 335574188 /nfs/dbraw/zinc/57/41/88/335574188.db2.gz ANEWMRPXSIRFDF-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2c(OC)cccc21 ZINC000194931019 336040663 /nfs/dbraw/zinc/04/06/63/336040663.db2.gz BLOHCBPRIQHIQG-INIZCTEOSA-N 0 3 275.392 3.255 20 30 CGEDHN C=CC(C)(C)CNCc1ccc(Br)cn1 ZINC000384760334 336130827 /nfs/dbraw/zinc/13/08/27/336130827.db2.gz AEPKMOQNTSZMGV-UHFFFAOYSA-N 0 3 269.186 3.146 20 30 CGEDHN C=CC(C)(C)CN[C@H](C)c1nc2ccccc2n1C ZINC000384836355 336132455 /nfs/dbraw/zinc/13/24/55/336132455.db2.gz GZDIXEXUYBCWPR-GFCCVEGCSA-N 0 3 257.381 3.436 20 30 CGEDHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581728959 336138822 /nfs/dbraw/zinc/13/88/22/336138822.db2.gz CMDOYZUECMULKU-BXUZGUMPSA-N 0 3 273.336 3.087 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)nc1 ZINC000581832121 336149431 /nfs/dbraw/zinc/14/94/31/336149431.db2.gz VEJFPHQKBITBBU-OAHLLOKOSA-N 0 3 295.361 3.157 20 30 CGEDHN CC[C@H](O)CCCN[C@H](CCC#N)c1ccc(OC)cc1 ZINC000581924055 336168939 /nfs/dbraw/zinc/16/89/39/336168939.db2.gz ROHYUOHLVCWTJO-DOTOQJQBSA-N 0 3 290.407 3.181 20 30 CGEDHN Cc1ccc(C[C@@H]2CCCN2Cc2ccc(C#N)cn2)cc1 ZINC000581980077 336183376 /nfs/dbraw/zinc/18/33/76/336183376.db2.gz ARTULBLMFAFWQD-IBGZPJMESA-N 0 3 291.398 3.469 20 30 CGEDHN Cc1occc1CNCCSCc1ccccc1C#N ZINC000414271887 534576413 /nfs/dbraw/zinc/57/64/13/534576413.db2.gz XKAQFVXIFWQLFG-UHFFFAOYSA-N 0 3 286.400 3.483 20 30 CGEDHN CN(Cc1ccc(C#N)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000093511019 523212932 /nfs/dbraw/zinc/21/29/32/523212932.db2.gz WMGPDXXSDSGOGD-INIZCTEOSA-N 0 3 295.386 3.252 20 30 CGEDHN Cc1n[nH]cc1CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358436763 534852843 /nfs/dbraw/zinc/85/28/43/534852843.db2.gz SSFITNLBTIJCEE-GFCCVEGCSA-N 0 3 286.354 3.012 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(C#N)cc1 ZINC000352701616 526326442 /nfs/dbraw/zinc/32/64/42/526326442.db2.gz LLGCKGLDEVZDBJ-UHFFFAOYSA-N 0 3 266.344 3.382 20 30 CGEDHN C=C(C)CCN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000352016554 526439911 /nfs/dbraw/zinc/43/99/11/526439911.db2.gz YCWWOHCLGRRYIV-INIZCTEOSA-N 0 3 272.392 3.080 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CC[C@H]2SC)cc1 ZINC000344950064 526890976 /nfs/dbraw/zinc/89/09/76/526890976.db2.gz CALNBQOURWMRQP-LSDHHAIUSA-N 0 3 263.406 3.235 20 30 CGEDHN C=CC[C@@H]1N(Cc2ccnc(C)n2)CCCC1(C)C ZINC000353230289 527119097 /nfs/dbraw/zinc/11/90/97/527119097.db2.gz LQXUDGVBTAUGTK-HNNXBMFYSA-N 0 3 259.397 3.352 20 30 CGEDHN CC(C)(C#N)CCN[C@H]1CCCc2c(O)cccc21 ZINC000347189949 527468551 /nfs/dbraw/zinc/46/85/51/527468551.db2.gz GNLANDIKAAZASH-AWEZNQCLSA-N 0 3 258.365 3.299 20 30 CGEDHN CCCCN(C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567050 528347331 /nfs/dbraw/zinc/34/73/31/528347331.db2.gz IYTPPZCIEZDTCF-ZDUSSCGKSA-N 0 3 277.387 3.080 20 30 CGEDHN CC[C@H]1CCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000449404647 529209291 /nfs/dbraw/zinc/20/92/91/529209291.db2.gz CZDKNHIVXUUBCH-RYUDHWBXSA-N 0 3 263.410 3.321 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)C1CC(C)(C)C1 ZINC000459741677 536877351 /nfs/dbraw/zinc/87/73/51/536877351.db2.gz NDQFFLYRQDMUQG-UHFFFAOYSA-N 0 3 258.365 3.187 20 30 CGEDHN CSCCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417396 572351580 /nfs/dbraw/zinc/35/15/80/572351580.db2.gz NIIHGLBNJRFWCX-SECBINFHSA-N 0 3 294.376 3.365 20 30 CGEDHN CO[C@@H](C)CC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421882 572352457 /nfs/dbraw/zinc/35/24/57/572352457.db2.gz RADWTRCRKLYWJV-WCBMZHEXSA-N 0 3 292.335 3.037 20 30 CGEDHN C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H](C)C2)c1[O-] ZINC000732408455 572463805 /nfs/dbraw/zinc/46/38/05/572463805.db2.gz AOYIWIFZJAWODI-ZDUSSCGKSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](C)C2)c1[O-] ZINC000732408455 572463806 /nfs/dbraw/zinc/46/38/06/572463806.db2.gz AOYIWIFZJAWODI-ZDUSSCGKSA-N 0 3 275.392 3.361 20 30 CGEDHN CCCCCCCN1CCCC[C@H]1C1OCCO1 ZINC000740876000 572465486 /nfs/dbraw/zinc/46/54/86/572465486.db2.gz LYKALGQCAJVXSI-AWEZNQCLSA-N 0 3 255.402 3.184 20 30 CGEDHN CCCCCCCCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000741722889 572519307 /nfs/dbraw/zinc/51/93/07/572519307.db2.gz TYRRQOQVRUOVPM-HUUCEWRRSA-N 0 3 268.445 3.336 20 30 CGEDHN COc1c(C)cnc(CNCC(C)(C)CCC#N)c1C ZINC000742368379 572568350 /nfs/dbraw/zinc/56/83/50/572568350.db2.gz FAMWIZCORPKXGU-UHFFFAOYSA-N 0 3 275.396 3.127 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CCC2CC2)c([O-])c1 ZINC000743044091 572635651 /nfs/dbraw/zinc/63/56/51/572635651.db2.gz DXRVCLWMTNHNDY-ATVHPVEESA-N 0 3 260.381 3.457 20 30 CGEDHN C=CC[C@@H](NCc1n[nH]c2ccccc12)c1ccncc1 ZINC000734509695 572662105 /nfs/dbraw/zinc/66/21/05/572662105.db2.gz PCNSPDJDVDTFID-OAHLLOKOSA-N 0 3 278.359 3.365 20 30 CGEDHN C=CC[C@@H](NCc1[nH]nc2ccccc21)c1ccncc1 ZINC000734509695 572662110 /nfs/dbraw/zinc/66/21/10/572662110.db2.gz PCNSPDJDVDTFID-OAHLLOKOSA-N 0 3 278.359 3.365 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C\C(C)(C)C)C(C)C ZINC000735054578 572699262 /nfs/dbraw/zinc/69/92/62/572699262.db2.gz UQJHKROWCMKINF-BLIJAFNYSA-N 0 3 292.467 3.404 20 30 CGEDHN CC[C@H](C)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000735309608 572714474 /nfs/dbraw/zinc/71/44/74/572714474.db2.gz QCDSKBRTLAAPBC-NSHDSACASA-N 0 3 266.772 3.473 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC3CC3)nc21 ZINC000735789049 572739896 /nfs/dbraw/zinc/73/98/96/572739896.db2.gz JAQCUXJCDAIDCW-LBPRGKRZSA-N 0 3 267.332 3.238 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC3CC3)[nH]c21 ZINC000735789049 572739901 /nfs/dbraw/zinc/73/99/01/572739901.db2.gz JAQCUXJCDAIDCW-LBPRGKRZSA-N 0 3 267.332 3.238 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC(C)C)nc21 ZINC000735791291 572741151 /nfs/dbraw/zinc/74/11/51/572741151.db2.gz NAYDFPZCKATYDY-LLVKDONJSA-N 0 3 255.321 3.094 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC(C)C)[nH]c21 ZINC000735791291 572741155 /nfs/dbraw/zinc/74/11/55/572741155.db2.gz NAYDFPZCKATYDY-LLVKDONJSA-N 0 3 255.321 3.094 20 30 CGEDHN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(C)C#N ZINC000736669180 572804144 /nfs/dbraw/zinc/80/41/44/572804144.db2.gz YIPGQRDABLPXBX-SNVBAGLBSA-N 0 3 284.281 3.214 20 30 CGEDHN C=C(C)CN1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747971026 572956718 /nfs/dbraw/zinc/95/67/18/572956718.db2.gz XGIFMVVJOZKJIJ-ZIAGYGMSSA-N 0 3 282.428 3.188 20 30 CGEDHN C=CCCCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000748673658 572981797 /nfs/dbraw/zinc/98/17/97/572981797.db2.gz NVOXKCZPIBYKPO-UHFFFAOYSA-N 0 3 286.419 3.470 20 30 CGEDHN Fc1ccc(N=NC2CCCC[C@@H]2N2CCCCC2)nc1 ZINC000748788041 572983779 /nfs/dbraw/zinc/98/37/79/572983779.db2.gz LADYBHSJAJZOJW-HNNXBMFYSA-N 0 3 290.386 3.417 20 30 CGEDHN C[C@H](COc1ccccc1)NCc1ccc(C#N)s1 ZINC000749110562 572989261 /nfs/dbraw/zinc/98/92/61/572989261.db2.gz LBBLHQWPHDJQDD-GFCCVEGCSA-N 0 3 272.373 3.177 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734825 607087270 /nfs/dbraw/zinc/08/72/70/607087270.db2.gz UVUUDDOVFTZBHK-IUODEOHRSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819734825 607087269 /nfs/dbraw/zinc/08/72/69/607087269.db2.gz UVUUDDOVFTZBHK-IUODEOHRSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819734824 607087295 /nfs/dbraw/zinc/08/72/95/607087295.db2.gz UVUUDDOVFTZBHK-DOMZBBRYSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734824 607087297 /nfs/dbraw/zinc/08/72/97/607087297.db2.gz UVUUDDOVFTZBHK-DOMZBBRYSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823888619 609249506 /nfs/dbraw/zinc/24/95/06/609249506.db2.gz RXCNBEKLYFYQBB-CHWSQXEVSA-N 0 3 297.406 3.046 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823888619 609249507 /nfs/dbraw/zinc/24/95/07/609249507.db2.gz RXCNBEKLYFYQBB-CHWSQXEVSA-N 0 3 297.406 3.046 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)C[C@H]1C ZINC000947896017 613270169 /nfs/dbraw/zinc/27/01/69/613270169.db2.gz UHIADZFIXVBVNC-QAPCUYQASA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC=CCCC2)C1 ZINC000969953941 613302413 /nfs/dbraw/zinc/30/24/13/613302413.db2.gz OHKGAUOIKTZKTG-HOTGVXAUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2csc(Cl)c2)C1 ZINC000970525548 613304017 /nfs/dbraw/zinc/30/40/17/613304017.db2.gz HKJHBXQGYGIVEH-JTQLQIEISA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974868291 613341147 /nfs/dbraw/zinc/34/11/47/613341147.db2.gz JASWMCDBAJSEDV-HNNXBMFYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974562503 613342606 /nfs/dbraw/zinc/34/26/06/613342606.db2.gz QZZVTNPHJRKJPX-AWEZNQCLSA-N 0 3 292.448 3.073 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2CN(CC(=C)C)CC[C@H]2C)cc1 ZINC000968339414 613515709 /nfs/dbraw/zinc/51/57/09/613515709.db2.gz GWFPOQNJQRNTBI-QAPCUYQASA-N 0 3 298.430 3.346 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000971914016 613611500 /nfs/dbraw/zinc/61/15/00/613611500.db2.gz CUJBLLBQRNBDGN-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC000972732203 613612983 /nfs/dbraw/zinc/61/29/83/613612983.db2.gz ISXUBKATXHJBQP-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2sccc2C(C)C)C1 ZINC000980465054 613625430 /nfs/dbraw/zinc/62/54/30/613625430.db2.gz FEGQGMWZAJJWJD-CYBMUJFWSA-N 0 3 292.448 3.204 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000969039282 613687276 /nfs/dbraw/zinc/68/72/76/613687276.db2.gz GPMXNXBOGVVFIR-SFHVURJKSA-N 0 3 298.430 3.490 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C[C@H]1C ZINC000948013228 613748917 /nfs/dbraw/zinc/74/89/17/613748917.db2.gz UMZZVAODCVKCQY-TZMCWYRMSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccsc2Cl)[C@H](C)C1 ZINC000943332984 613756332 /nfs/dbraw/zinc/75/63/32/613756332.db2.gz GTHLWVVVLVMFOA-ZYHUDNBSSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)C[C@H]1C ZINC000947776054 613788796 /nfs/dbraw/zinc/78/87/96/613788796.db2.gz SZLKVIXCVFAIRW-PWSUYJOCSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2occc2C(C)C)[C@H](C)C1 ZINC000942577600 613801009 /nfs/dbraw/zinc/80/10/09/613801009.db2.gz MTKGLFDUQHBVHR-HIFRSBDPSA-N 0 3 290.407 3.029 20 30 CGEDHN CC1(C)CCCN(CCNc2nc(Cl)c(C#N)s2)C1 ZINC000804659967 617658408 /nfs/dbraw/zinc/65/84/08/617658408.db2.gz BHLAUYHRFXBJHA-UHFFFAOYSA-N 0 3 298.843 3.202 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2c(C)cccc2C)CCC1 ZINC000933302122 618197338 /nfs/dbraw/zinc/19/73/38/618197338.db2.gz SGLCOZCYNXZDNT-OAHLLOKOSA-N 0 3 284.403 3.166 20 30 CGEDHN C=C1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900585271 620803028 /nfs/dbraw/zinc/80/30/28/620803028.db2.gz LGOPQOKJPMICJG-UHFFFAOYSA-N 0 3 283.375 3.083 20 30 CGEDHN CS[C@@H]1CCCCN(Cc2csc(C#N)c2)C1 ZINC000892231759 618608872 /nfs/dbraw/zinc/60/88/72/618608872.db2.gz FARUPRDWVWVUFD-GFCCVEGCSA-N 0 3 266.435 3.337 20 30 CGEDHN C=CCC[C@H](CO)N[C@H]1CCCc2c(Cl)ccnc21 ZINC000926546939 618733172 /nfs/dbraw/zinc/73/31/72/618733172.db2.gz ZTZSWFFJOPTINL-RISCZKNCSA-N 0 3 280.799 3.029 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc3ccc(F)cc3o2)CC1 ZINC000892397145 618756354 /nfs/dbraw/zinc/75/63/54/618756354.db2.gz UJLARWQDXLWGGU-UHFFFAOYSA-N 0 3 289.354 3.419 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cc(OC)ccn1 ZINC000926686729 618822045 /nfs/dbraw/zinc/82/20/45/618822045.db2.gz ZOMQPKHWHNFDTQ-GFCCVEGCSA-N 0 3 266.410 3.050 20 30 CGEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930966977 619096241 /nfs/dbraw/zinc/09/62/41/619096241.db2.gz SFKAENDBIPKUFS-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN C=C(Br)CN[C@H](C)Cc1ccccc1F ZINC000162564000 619104855 /nfs/dbraw/zinc/10/48/55/619104855.db2.gz SMSYLUMTEWACSG-SNVBAGLBSA-N 0 3 272.161 3.255 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000313496864 619175158 /nfs/dbraw/zinc/17/51/58/619175158.db2.gz JPKMQAWGQWMKDE-AWEZNQCLSA-N 0 3 255.365 3.489 20 30 CGEDHN CS[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000178882862 619425947 /nfs/dbraw/zinc/42/59/47/619425947.db2.gz NHOYAQFTGIKQGB-VHSXEESVSA-N 0 3 274.345 3.146 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)cs1 ZINC000894485013 619551162 /nfs/dbraw/zinc/55/11/62/619551162.db2.gz JQLLLCFGNOXTIO-KGLIPLIRSA-N 0 3 290.432 3.258 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@H](C)c1nnc(C)[nH]1 ZINC000894774536 619628077 /nfs/dbraw/zinc/62/80/77/619628077.db2.gz UOXZLIBYTUHHDQ-NWDGAFQWSA-N 0 3 250.390 3.289 20 30 CGEDHN N#Cc1cnc(Cl)c(CN[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000895629977 619861009 /nfs/dbraw/zinc/86/10/09/619861009.db2.gz GOUKQWGGCXEIHL-FPMFFAJLSA-N 0 3 275.783 3.275 20 30 CGEDHN Cc1cc(F)ncc1CN(C)CCc1cccc(C#N)c1 ZINC000895786188 619885315 /nfs/dbraw/zinc/88/53/15/619885315.db2.gz NBZBZXVRIMRWAQ-UHFFFAOYSA-N 0 3 283.350 3.075 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2C[C@H]2C2CC2)c1 ZINC000896263337 619983426 /nfs/dbraw/zinc/98/34/26/619983426.db2.gz WVFSFJVJRIAYIQ-OCCSQVGLSA-N 0 3 275.783 3.132 20 30 CGEDHN C=C(Br)CN[C@@H]1CCc2ccc(OC)cc2C1 ZINC000121282745 620024718 /nfs/dbraw/zinc/02/47/18/620024718.db2.gz OMUUBLFASIXHGY-CYBMUJFWSA-N 0 3 296.208 3.051 20 30 CGEDHN FC(F)(F)[C@H]1CCC[C@H](CNCC#Cc2ccccc2)O1 ZINC000896824265 620071679 /nfs/dbraw/zinc/07/16/79/620071679.db2.gz SIYTYJKYYOELOO-HUUCEWRRSA-N 0 3 297.320 3.128 20 30 CGEDHN C=CCC[C@@H](NC[C@H](O)CC(C)C)c1ccco1 ZINC000796722353 620139290 /nfs/dbraw/zinc/13/92/90/620139290.db2.gz DBUQABXLTMTLTH-ZIAGYGMSSA-N 0 3 251.370 3.284 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H](C3CCOCC3)C2)cs1 ZINC000897271383 620176536 /nfs/dbraw/zinc/17/65/36/620176536.db2.gz KSPDWMHDRZMBPL-OAHLLOKOSA-N 0 3 290.432 3.258 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)cc1 ZINC000897418776 620297431 /nfs/dbraw/zinc/29/74/31/620297431.db2.gz WIFNCTWFSXTOLV-CQSZACIVSA-N 0 3 277.367 3.454 20 30 CGEDHN C[C@H](c1cccnc1)N(C)CCCOc1ccc(C#N)cc1 ZINC000179142671 620348515 /nfs/dbraw/zinc/34/85/15/620348515.db2.gz DSKDHDNUFSHBJF-OAHLLOKOSA-N 0 3 295.386 3.415 20 30 CGEDHN C[C@H](Cc1ccsc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000897602096 620407475 /nfs/dbraw/zinc/40/74/75/620407475.db2.gz FATKFOUFNAVXTD-CYBMUJFWSA-N 0 3 291.416 3.017 20 30 CGEDHN CC[C@@H](C)[C@@H](CN(C)Cc1cc(C#N)cs1)OC ZINC000897624298 620411597 /nfs/dbraw/zinc/41/15/97/620411597.db2.gz HNZNYBCQOXYZQB-BXUZGUMPSA-N 0 3 266.410 3.113 20 30 CGEDHN C[C@@H](NCc1nc(C#N)cs1)[C@@H]1C[C@H]1c1cccs1 ZINC000897630246 620414495 /nfs/dbraw/zinc/41/44/95/620414495.db2.gz URQHRVZSQICYCZ-ADEWGFFLSA-N 0 3 289.429 3.358 20 30 CGEDHN CC1(C)C[C@@H](NCc2cccc(F)c2C#N)CCS1 ZINC000897793467 620432372 /nfs/dbraw/zinc/43/23/72/620432372.db2.gz NARDFIWWYJSVBS-LBPRGKRZSA-N 0 3 278.396 3.461 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929162116 620517947 /nfs/dbraw/zinc/51/79/47/620517947.db2.gz HRBDCMLBPZFLRH-ZIAGYGMSSA-N 0 3 298.308 3.100 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000989717291 620522437 /nfs/dbraw/zinc/52/24/37/620522437.db2.gz AVYQZMUOWQCDCN-GOSISDBHSA-N 0 3 290.451 3.233 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000989772745 620524382 /nfs/dbraw/zinc/52/43/82/620524382.db2.gz ISOFYEJCBAOCIY-IRXDYDNUSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)C3CCCCCC3)CCC[C@@H]12 ZINC000990030860 620535027 /nfs/dbraw/zinc/53/50/27/620535027.db2.gz MIPYFEYVMMKFPE-SJLPKXTDSA-N 0 3 290.451 3.256 20 30 CGEDHN CC[C@@H](NCc1ccnc(OC)c1)c1cccc(C#N)c1 ZINC000902740159 621421001 /nfs/dbraw/zinc/42/10/01/621421001.db2.gz OMIHQRCRCMRTEY-MRXNPFEDSA-N 0 3 281.359 3.203 20 30 CGEDHN C[C@H](NCCc1cc(F)ccc1F)c1cc(C#N)ccn1 ZINC000902830257 621459555 /nfs/dbraw/zinc/45/95/55/621459555.db2.gz MLPZGJVPCRPHTF-NSHDSACASA-N 0 3 287.313 3.125 20 30 CGEDHN Cc1cnc([C@@H](C)CN[C@H](C)c2cc(C#N)ccn2)s1 ZINC000902950839 621503932 /nfs/dbraw/zinc/50/39/32/621503932.db2.gz KBYVLYWZAQRREJ-CMPLNLGQSA-N 0 3 286.404 3.173 20 30 CGEDHN Cc1ccc(C[C@H](NCC2(C#N)CC2)C2CC2)cc1 ZINC000903106046 621580469 /nfs/dbraw/zinc/58/04/69/621580469.db2.gz LRCCCQKVIHQDRJ-INIZCTEOSA-N 0 3 254.377 3.210 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nc(CN(C)C)cs2)C1 ZINC000903220952 621633775 /nfs/dbraw/zinc/63/37/75/621633775.db2.gz RSVDSYYUFDVRKE-QWHCGFSZSA-N 0 3 279.453 3.039 20 30 CGEDHN C=CCC[C@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccco1 ZINC000903288379 621671913 /nfs/dbraw/zinc/67/19/13/621671913.db2.gz WXEMRWQOOAKETB-XDJSOMLNSA-N 0 3 259.349 3.052 20 30 CGEDHN C=CCC(C)(C)c1noc(-c2ccc3c(c2)OCCNC3)n1 ZINC000904724581 621957889 /nfs/dbraw/zinc/95/78/89/621957889.db2.gz OWIWPPLFGUXJGB-UHFFFAOYSA-N 0 3 299.374 3.072 20 30 CGEDHN CCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905083824 622032920 /nfs/dbraw/zinc/03/29/20/622032920.db2.gz FTYKDDDARYHNEN-IGVUGNCQSA-N 0 3 297.358 3.216 20 30 CGEDHN CCCCOc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905084711 622033979 /nfs/dbraw/zinc/03/39/79/622033979.db2.gz KRBCLVFTPFCRKA-XTCQQWIJSA-N 0 3 297.358 3.298 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCSc2ccccc21 ZINC000912039757 622588273 /nfs/dbraw/zinc/58/82/73/622588273.db2.gz HDLFOHKWAPNCPH-KBPBESRZSA-N 0 3 290.432 3.023 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(F)cc(Br)c1 ZINC000229967643 623183098 /nfs/dbraw/zinc/18/30/98/623183098.db2.gz YVOJWXKAMGIZGJ-LBPRGKRZSA-N 0 3 270.145 3.090 20 30 CGEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000173963757 623350867 /nfs/dbraw/zinc/35/08/67/623350867.db2.gz KTXSCBKTWXAKJN-JSGCOSHPSA-N 0 3 272.348 3.079 20 30 CGEDHN C=CCON=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842536723 623466406 /nfs/dbraw/zinc/46/64/06/623466406.db2.gz YFIWIWUYBPACOY-UHFFFAOYSA-N 0 3 270.376 3.374 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@@H]12 ZINC000992289002 623504245 /nfs/dbraw/zinc/50/42/45/623504245.db2.gz URLJXKMAMOYUDI-IEBWSBKVSA-N 0 3 296.414 3.242 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(CC)cc3)CCC[C@H]12 ZINC000992484353 623596250 /nfs/dbraw/zinc/59/62/50/623596250.db2.gz DYKQVFWWJACWQR-PKOBYXMFSA-N 0 3 298.430 3.162 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccccc2Cl)CN1C1CC1 ZINC000753954457 623740737 /nfs/dbraw/zinc/74/07/37/623740737.db2.gz BQPNOBAANULAAW-SNVBAGLBSA-N 0 3 263.772 3.365 20 30 CGEDHN C=CCCN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153341782 623856532 /nfs/dbraw/zinc/85/65/32/623856532.db2.gz CZDQKQHGCBZIRY-OKILXGFUSA-N 0 3 280.412 3.036 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2sccc2F)[C@@H]1C ZINC000993263918 623997145 /nfs/dbraw/zinc/99/71/45/623997145.db2.gz LCGQVOHNOQJGQC-WCQYABFASA-N 0 3 296.411 3.046 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993307588 624005156 /nfs/dbraw/zinc/00/51/56/624005156.db2.gz HACJVWSAZSAYBT-KBPBESRZSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993480427 624052550 /nfs/dbraw/zinc/05/25/50/624052550.db2.gz DLWLDKSRBSMNLR-JBCIKUTRSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993637826 624055732 /nfs/dbraw/zinc/05/57/32/624055732.db2.gz VCYYBKRJCYKMON-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993651935 624055801 /nfs/dbraw/zinc/05/58/01/624055801.db2.gz AMVJSBOQOIOSMN-HOCLYGCPSA-N 0 3 290.451 3.112 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H]2CCCN(CC(=C)C)[C@H]2C)cc1 ZINC000993830333 624064343 /nfs/dbraw/zinc/06/43/43/624064343.db2.gz XRDLNPHHYMFQGW-MAUKXSAKSA-N 0 3 298.430 3.488 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccccc2F)nc(C)n1 ZINC000916880149 624220985 /nfs/dbraw/zinc/22/09/85/624220985.db2.gz MFJVOELSBSFMFJ-WBTMPAOCSA-N 0 3 295.317 3.122 20 30 CGEDHN C=CCN1CCC(NC(=O)C(C)(C)CCCCC)CC1 ZINC000175385699 624632741 /nfs/dbraw/zinc/63/27/41/624632741.db2.gz USWGEHKHMYSPAF-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1O ZINC000179563455 624666388 /nfs/dbraw/zinc/66/63/88/624666388.db2.gz UVGIGHWODDIQRV-UHFFFAOYSA-N 0 3 278.355 3.452 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccs2)cc1 ZINC000237703326 624675243 /nfs/dbraw/zinc/67/52/43/624675243.db2.gz SUYZQPBZZCIAKZ-LBPRGKRZSA-N 0 3 272.373 3.329 20 30 CGEDHN C=C(Br)CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000186311977 625785116 /nfs/dbraw/zinc/78/51/16/625785116.db2.gz RQEFBTLLCNXPJH-NEPJUHHUSA-N 0 3 276.218 3.078 20 30 CGEDHN C[C@@H](COCc1ccccc1)NCc1csc(C#N)c1 ZINC000921792747 625876799 /nfs/dbraw/zinc/87/67/99/625876799.db2.gz BVFWLOQUNLWPAD-ZDUSSCGKSA-N 0 3 286.400 3.315 20 30 CGEDHN CC1(NCc2cc(C#N)ccc2Br)CCC1 ZINC000921932052 625934163 /nfs/dbraw/zinc/93/41/63/625934163.db2.gz DAJFJGFDRQSXEF-UHFFFAOYSA-N 0 3 279.181 3.353 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000922310889 625996281 /nfs/dbraw/zinc/99/62/81/625996281.db2.gz JUPBTHPGXZKKAY-CHWSQXEVSA-N 0 3 268.282 3.216 20 30 CGEDHN Cc1cc(CNCc2ccc3c(c2)C[C@@H](C)O3)ccc1C#N ZINC000922701498 626033942 /nfs/dbraw/zinc/03/39/42/626033942.db2.gz JFMFTLLFSPDRKY-CQSZACIVSA-N 0 3 292.382 3.480 20 30 CGEDHN C=C1CCC(CNCc2ncc(CN(C)C)s2)CC1 ZINC000922711353 626037918 /nfs/dbraw/zinc/03/79/18/626037918.db2.gz JGXDVIROQYGPLW-UHFFFAOYSA-N 0 3 279.453 3.041 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC001005584299 626092757 /nfs/dbraw/zinc/09/27/57/626092757.db2.gz RYHQZKZLJKPDAQ-QAPCUYQASA-N 0 3 292.467 3.312 20 30 CGEDHN CCC#C[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000752857715 626440937 /nfs/dbraw/zinc/44/09/37/626440937.db2.gz XTMMWLLVYMSWKM-INIZCTEOSA-N 0 3 286.419 3.009 20 30 CGEDHN C=CCCCCCCCNC(=O)C1(N(C)C)CCC1 ZINC000752987563 626443315 /nfs/dbraw/zinc/44/33/15/626443315.db2.gz WKBGMUYCPBBIPZ-UHFFFAOYSA-N 0 3 266.429 3.114 20 30 CGEDHN C#CCCCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000753662579 626461446 /nfs/dbraw/zinc/46/14/46/626461446.db2.gz JBSPGRJYKIBFJU-KRWDZBQOSA-N 0 3 268.335 3.313 20 30 CGEDHN C#CCOCCN[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000753772730 626465264 /nfs/dbraw/zinc/46/52/64/626465264.db2.gz ZURUPZAGNJZDCF-HNNXBMFYSA-N 0 3 283.774 3.416 20 30 CGEDHN C[C@H]1CC(N=Nc2cc(F)c(F)c(F)c2)CN1C1CC1 ZINC000753960229 626470192 /nfs/dbraw/zinc/47/01/92/626470192.db2.gz PFERZCGUVYAACM-QMMMGPOBSA-N 0 3 283.297 3.128 20 30 CGEDHN Cc1cccc(C[C@@H](NCC2(C#N)CC2)C2CC2)c1 ZINC000754363529 626569413 /nfs/dbraw/zinc/56/94/13/626569413.db2.gz YQWDDHABGUGGEK-MRXNPFEDSA-N 0 3 254.377 3.210 20 30 CGEDHN C[C@@H](C=Nn1cnnc1)Cc1ccc(C(C)(C)C)cc1 ZINC000754696051 626582699 /nfs/dbraw/zinc/58/26/99/626582699.db2.gz ZCLQJYLOWXIIEH-CYBMUJFWSA-N 0 3 270.380 3.288 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000839595956 626764091 /nfs/dbraw/zinc/76/40/91/626764091.db2.gz PIOOKGJPKAZKLF-MXWKQRLJSA-N 0 3 261.196 3.194 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000809686231 626775398 /nfs/dbraw/zinc/77/53/98/626775398.db2.gz BUKLSSHOKYEITM-LBPRGKRZSA-N 0 3 284.325 3.273 20 30 CGEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NNC1CCOCC1 ZINC000757585531 626790919 /nfs/dbraw/zinc/79/09/19/626790919.db2.gz MCTVSQSRORNTKJ-WPXJZASKSA-N 0 3 299.418 3.052 20 30 CGEDHN Cc1ccc(F)c(N=NC2C[C@@H](C)N(C3CC3)C2)c1 ZINC000759653595 626912055 /nfs/dbraw/zinc/91/20/55/626912055.db2.gz SHHHJAMDONLTAY-LLVKDONJSA-N 0 3 261.344 3.159 20 30 CGEDHN CC[C@@H](C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000760342130 626961959 /nfs/dbraw/zinc/96/19/59/626961959.db2.gz VZEIXPNZPQLHAD-DOMZBBRYSA-N 0 3 279.343 3.480 20 30 CGEDHN C#CCN(Cc1ccc(Br)cc1C)C1CC1 ZINC000763948624 627186370 /nfs/dbraw/zinc/18/63/70/627186370.db2.gz CELAAGPPYJJIKY-UHFFFAOYSA-N 0 3 278.193 3.355 20 30 CGEDHN COCC#CCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767878270 627441021 /nfs/dbraw/zinc/44/10/21/627441021.db2.gz YFBKNQYFGNJIOO-AWEZNQCLSA-N 0 3 297.320 3.145 20 30 CGEDHN C=CCN(Cc1cc2c(cc1OC)C[C@H](C)O2)C(C)C ZINC000768546749 627486251 /nfs/dbraw/zinc/48/62/51/627486251.db2.gz DUWJAYKZZCAIGF-ZDUSSCGKSA-N 0 3 275.392 3.415 20 30 CGEDHN CN(CCc1ccccc1F)Cc1cc(C#N)cs1 ZINC000769020987 627517924 /nfs/dbraw/zinc/51/79/24/627517924.db2.gz KQIBHFZBXLYNOT-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN CCCN(CCC)c1ccc(C=NNC[C@H](C)C#N)cc1 ZINC000771108950 627684339 /nfs/dbraw/zinc/68/43/39/627684339.db2.gz WJKWGGXJSWUQJX-OAHLLOKOSA-N 0 3 286.423 3.396 20 30 CGEDHN C#C[C@H](C)N(C)CCc1cc(Cl)cc(Cl)c1 ZINC000773893712 627926259 /nfs/dbraw/zinc/92/62/59/627926259.db2.gz CIFIDFABZZTPRN-JTQLQIEISA-N 0 3 256.176 3.489 20 30 CGEDHN CCN(CCO)c1ccc(C=NOC2CCCC2)c(C)c1 ZINC000774602365 628008327 /nfs/dbraw/zinc/00/83/27/628008327.db2.gz JHQOOPHWQIREJK-UHFFFAOYSA-N 0 3 290.407 3.107 20 30 CGEDHN C#CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000775401290 628091999 /nfs/dbraw/zinc/09/19/99/628091999.db2.gz YYFWZOGURKEJDV-LJQANCHMSA-N 0 3 290.366 3.443 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000775458591 628097186 /nfs/dbraw/zinc/09/71/86/628097186.db2.gz LTGGXWIAQDXNPB-GWCFXTLKSA-N 0 3 273.298 3.293 20 30 CGEDHN CC(C)OCCNN=Cc1ccc(N2CCCCC2)cc1 ZINC000778554793 628357385 /nfs/dbraw/zinc/35/73/85/628357385.db2.gz XPFJKNCGUYZFHE-UHFFFAOYSA-N 0 3 289.423 3.025 20 30 CGEDHN N#CCOc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000782531118 628653053 /nfs/dbraw/zinc/65/30/53/628653053.db2.gz OJVYSYCTJHNULB-SFHVURJKSA-N 0 3 293.370 3.225 20 30 CGEDHN C#C[C@@H](NCCc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000785816706 628889398 /nfs/dbraw/zinc/88/93/98/628889398.db2.gz WJPIVGPVHCQQTN-CABCVRRESA-N 0 3 298.213 3.306 20 30 CGEDHN C#CCCN(CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000786133830 628915594 /nfs/dbraw/zinc/91/55/94/628915594.db2.gz PNZFTZYWKLWGPC-OAHLLOKOSA-N 0 3 272.392 3.057 20 30 CGEDHN CCN(C)c1ccc(C(C)=NNCCc2ccncc2)cc1 ZINC000789093637 629104040 /nfs/dbraw/zinc/10/40/40/629104040.db2.gz KBJBYPGYIXSUEV-UHFFFAOYSA-N 0 3 296.418 3.094 20 30 CGEDHN C=CCCN(C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789424901 629132372 /nfs/dbraw/zinc/13/23/72/629132372.db2.gz LLZUVLGRAHLKGS-MRXNPFEDSA-N 0 3 286.419 3.225 20 30 CGEDHN N#CC(C(=O)CC1CCOCC1)c1nccc2ccccc21 ZINC000792097290 629336832 /nfs/dbraw/zinc/33/68/32/629336832.db2.gz UYEVRPTYLGMHTH-MRXNPFEDSA-N 0 3 294.354 3.228 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000862448390 629381738 /nfs/dbraw/zinc/38/17/38/629381738.db2.gz XWZGFPMUFCWOSX-CYBMUJFWSA-N 0 3 299.443 3.427 20 30 CGEDHN C=C(Br)CN[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794600833 629559739 /nfs/dbraw/zinc/55/97/39/629559739.db2.gz BCKYGUOOCJEZNR-KBPBESRZSA-N 0 3 298.224 3.243 20 30 CGEDHN N#Cc1cc([O-])ccc1-c1cccc(C2CC[NH2+]CC2)c1 ZINC000863722503 629661465 /nfs/dbraw/zinc/66/14/65/629661465.db2.gz BZKJBXXMVASYCW-UHFFFAOYSA-N 0 3 278.355 3.398 20 30 CGEDHN C#CCN(CCCOC(C)(C)C)Cc1ccccc1 ZINC000796640070 629808832 /nfs/dbraw/zinc/80/88/32/629808832.db2.gz FPRJTTQOWCAILZ-UHFFFAOYSA-N 0 3 259.393 3.327 20 30 CGEDHN C#CCN1CCC(c2ccc(Br)cc2)CC1 ZINC000800412676 630275979 /nfs/dbraw/zinc/27/59/79/630275979.db2.gz NDYQXARESDZHAJ-UHFFFAOYSA-N 0 3 278.193 3.262 20 30 CGEDHN COc1ccccc1[C@@H]1CCCCN1CCO[C@@H](C)C#N ZINC000801919019 630366464 /nfs/dbraw/zinc/36/64/64/630366464.db2.gz FWZUHYWUXLGEAO-HOCLYGCPSA-N 0 3 288.391 3.151 20 30 CGEDHN C[C@H](C#N)OCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000801932619 630369477 /nfs/dbraw/zinc/36/94/77/630369477.db2.gz RSEALOGHNTUWDK-RDTXWAMCSA-N 0 3 298.361 3.433 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000865698678 630387243 /nfs/dbraw/zinc/38/72/43/630387243.db2.gz FFXQVBRXHBMMNH-UHOFOFEASA-N 0 3 276.355 3.348 20 30 CGEDHN C=C(C)CCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000803362428 630468112 /nfs/dbraw/zinc/46/81/12/630468112.db2.gz DXMVNRXMXVLKPU-UHFFFAOYSA-N 0 3 287.403 3.408 20 30 CGEDHN C#C[C@H](N[C@H]1CCCc2c3ccccc3[nH]c21)[C@@H]1CCCO1 ZINC000808714103 630669881 /nfs/dbraw/zinc/66/98/81/630669881.db2.gz MOIBCQSGRKXYQB-SZMVWBNQSA-N 0 3 294.398 3.316 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC000809612766 630762383 /nfs/dbraw/zinc/76/23/83/630762383.db2.gz ZONSGSHDZDHATQ-UHFFFAOYSA-N 0 3 265.356 3.275 20 30 CGEDHN C#Cc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000809624604 630765796 /nfs/dbraw/zinc/76/57/96/630765796.db2.gz MCGQVJKOIQOVQT-KRWDZBQOSA-N 0 3 281.403 3.278 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000809656987 630777568 /nfs/dbraw/zinc/77/75/68/630777568.db2.gz QRYTVCKYMXNTNR-SMDDNHRTSA-N 0 3 267.294 3.441 20 30 CGEDHN C#C[C@@H](NCc1cc2cc(OC)ccc2o1)C(C)C ZINC000809684510 630779737 /nfs/dbraw/zinc/77/97/37/630779737.db2.gz DVUSQGXHJAGNMO-OAHLLOKOSA-N 0 3 257.333 3.189 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000809686568 630783300 /nfs/dbraw/zinc/78/33/00/630783300.db2.gz ZCTODZLNMHQIGG-LLVKDONJSA-N 0 3 289.272 3.268 20 30 CGEDHN C#CCN(Cc1ccccc1)Cc1cccc(C)c1O ZINC000809716760 630789977 /nfs/dbraw/zinc/78/99/77/630789977.db2.gz RXJAFXBRNPEWKS-UHFFFAOYSA-N 0 3 265.356 3.336 20 30 CGEDHN C#C[C@@H](NCc1c(C2CC2)nc2sccn12)C(C)(C)C ZINC000809781806 630806666 /nfs/dbraw/zinc/80/66/66/630806666.db2.gz BKRXAXITLZVGCX-CYBMUJFWSA-N 0 3 287.432 3.411 20 30 CGEDHN Cc1cccc(C[C@H](NCc2nc(C#N)cs2)C2CC2)c1 ZINC000810146333 630846867 /nfs/dbraw/zinc/84/68/67/630846867.db2.gz PMGWBWYEOZESKP-INIZCTEOSA-N 0 3 297.427 3.434 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(F)cc2Cl)nc1 ZINC000811493943 631074081 /nfs/dbraw/zinc/07/40/81/631074081.db2.gz OSSSBQSURYHANF-UHFFFAOYSA-N 0 3 289.741 3.078 20 30 CGEDHN C=CC[C@@H](C)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000878711649 635613387 /nfs/dbraw/zinc/61/33/87/635613387.db2.gz MKJMJLPLQIWBOF-CXAGYDPISA-N 0 3 271.360 3.061 20 30 CGEDHN CCN(Cc1cc(Cl)ccc1OCC#N)C[C@H](C)OC ZINC000812908164 631330861 /nfs/dbraw/zinc/33/08/61/631330861.db2.gz BVJKLGPIUSBVDH-LBPRGKRZSA-N 0 3 296.798 3.099 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC2CC2)c1 ZINC000813059683 631343950 /nfs/dbraw/zinc/34/39/50/631343950.db2.gz FKEMCDMNHYSLKH-OAHLLOKOSA-N 0 3 284.359 3.223 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Cl)cc1C ZINC000876545919 634854188 /nfs/dbraw/zinc/85/41/88/634854188.db2.gz OYMGJRVRVYUZQE-JTQLQIEISA-N 0 3 273.163 3.057 20 30 CGEDHN N#CC(C(=O)CC1(C#N)CC1)c1ccc2ccccc2n1 ZINC000815899530 631830206 /nfs/dbraw/zinc/83/02/06/631830206.db2.gz UQEMSUOHPDNCHN-CYBMUJFWSA-N 0 3 275.311 3.105 20 30 CGEDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@@H](C#N)CCC#N ZINC000819377752 632444704 /nfs/dbraw/zinc/44/47/04/632444704.db2.gz UTEISFQPGRDJPP-HZPDHXFCSA-N 0 3 298.434 3.025 20 30 CGEDHN C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1[O-] ZINC000866617933 633216993 /nfs/dbraw/zinc/21/69/93/633216993.db2.gz RKSUGYUTPWPYRR-WBMJQRKESA-N 0 3 278.355 3.082 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cc2ccccc2c(OC)c1 ZINC000824297128 633225990 /nfs/dbraw/zinc/22/59/90/633225990.db2.gz PZGBODHPWQTWGX-CYBMUJFWSA-N 0 3 253.345 3.302 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C2CCCCC2)CC1 ZINC000876599976 634865628 /nfs/dbraw/zinc/86/56/28/634865628.db2.gz CAHJUEWWXJMIFZ-OAHLLOKOSA-N 0 3 298.858 3.275 20 30 CGEDHN CCCCCCCN1CCO[C@@]2(CCSC2)C1 ZINC000829285186 633720812 /nfs/dbraw/zinc/72/08/12/633720812.db2.gz ANSWTNIPHZLJKW-AWEZNQCLSA-N 0 3 257.443 3.165 20 30 CGEDHN C#CC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000830316611 633849291 /nfs/dbraw/zinc/84/92/91/633849291.db2.gz ZUCISBWXIHVQGL-UHFFFAOYSA-N 0 3 284.334 3.326 20 30 CGEDHN C#CCCCN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000834606025 634197113 /nfs/dbraw/zinc/19/71/13/634197113.db2.gz CHVZNNJVPLNUOI-CQSZACIVSA-N 0 3 267.376 3.151 20 30 CGEDHN CS[C@@H]1CC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000873063299 634239438 /nfs/dbraw/zinc/23/94/38/634239438.db2.gz PEMDLTJLQRLDDK-VXGBXAGGSA-N 0 3 264.369 3.071 20 30 CGEDHN CCOc1cccc(F)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000873131356 634252517 /nfs/dbraw/zinc/25/25/17/634252517.db2.gz NXYUYESESBRCNV-STQMWFEESA-N 0 3 276.355 3.396 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccnc1Cl ZINC000834894193 634272479 /nfs/dbraw/zinc/27/24/79/634272479.db2.gz RKCOZRYVNAOGHG-RTXFEEFZSA-N 0 3 266.772 3.119 20 30 CGEDHN C#Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000834904141 634281163 /nfs/dbraw/zinc/28/11/63/634281163.db2.gz VOLRRGNUISENTH-AWEZNQCLSA-N 0 3 277.367 3.454 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000835038096 634328154 /nfs/dbraw/zinc/32/81/54/634328154.db2.gz UOPPPUUJEWHPLD-IGQOVBAYSA-N 0 3 293.370 3.186 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(C)C ZINC000876547690 634854977 /nfs/dbraw/zinc/85/49/77/634854977.db2.gz HEKRNCVYTYAIHR-GFCCVEGCSA-N 0 3 266.772 3.218 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1C ZINC000876590873 634863154 /nfs/dbraw/zinc/86/31/54/634863154.db2.gz FVRDDXOABNKBIY-CABCVRRESA-N 0 3 292.810 3.128 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000876658022 634876581 /nfs/dbraw/zinc/87/65/81/634876581.db2.gz WMCVUUGTGBBQQL-LSDHHAIUSA-N 0 3 292.810 3.032 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000876872619 634918298 /nfs/dbraw/zinc/91/82/98/634918298.db2.gz IHLDZQDZGPVPKQ-NSHDSACASA-N 0 3 296.798 3.098 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCCOC2CCCC2)c1 ZINC000876991228 634945267 /nfs/dbraw/zinc/94/52/67/634945267.db2.gz VHEXKVXMDSZREJ-UHFFFAOYSA-N 0 3 293.798 3.046 20 30 CGEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1cscc1C#N ZINC000837743733 634978201 /nfs/dbraw/zinc/97/82/01/634978201.db2.gz FSTMKYKAXCOFGK-CYBMUJFWSA-N 0 3 292.404 3.039 20 30 CGEDHN C#CCCCCCC[NH2+][C@@H](C)c1nnc(C(C)C)[n-]1 ZINC000877126060 634992402 /nfs/dbraw/zinc/99/24/02/634992402.db2.gz DWWLTCQYSXGTDU-ZDUSSCGKSA-N 0 3 262.401 3.162 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(c1ccccc1)[C@H](C)C1CC1 ZINC000877139635 634999967 /nfs/dbraw/zinc/99/99/67/634999967.db2.gz UUDLUVVIZPDUNR-IUODEOHRSA-N 0 3 292.810 3.288 20 30 CGEDHN C[C@@]1(CCNCc2cc(C#N)cnc2Cl)CC1(F)F ZINC000877631984 635122879 /nfs/dbraw/zinc/12/28/79/635122879.db2.gz YLCOHYZEQXYELZ-GFCCVEGCSA-N 0 3 285.725 3.132 20 30 CGEDHN C=CCNN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841637533 635205527 /nfs/dbraw/zinc/20/55/27/635205527.db2.gz ISUIZEZEGPVVNL-QGZVFWFLSA-N 0 3 269.392 3.118 20 30 CGEDHN Cc1csc([C@H]2CCN(Cc3cc(C#N)cs3)C2)n1 ZINC000877812469 635216404 /nfs/dbraw/zinc/21/64/04/635216404.db2.gz ANBCSRHIHRSNBB-LBPRGKRZSA-N 0 3 289.429 3.374 20 30 CGEDHN C#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000877833562 635234229 /nfs/dbraw/zinc/23/42/29/635234229.db2.gz IQGXEMQQSSFDSS-YEORSEQZSA-N 0 3 293.794 3.336 20 30 CGEDHN C=CC(C)(C)CC(=O)Nc1ccccc1CN(C)C ZINC000878206314 635413825 /nfs/dbraw/zinc/41/38/25/635413825.db2.gz WAIRQSMMCBCZJD-UHFFFAOYSA-N 0 3 260.381 3.289 20 30 CGEDHN C#CCCOc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1 ZINC000843412988 635661755 /nfs/dbraw/zinc/66/17/55/635661755.db2.gz CROADEAULPSGDB-GOSISDBHSA-N 0 3 287.403 3.088 20 30 CGEDHN C#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000843423456 635666665 /nfs/dbraw/zinc/66/66/65/635666665.db2.gz DUQMIJZYESMPHS-LBPRGKRZSA-N 0 3 293.794 3.290 20 30 CGEDHN C#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000843423456 635666671 /nfs/dbraw/zinc/66/66/71/635666671.db2.gz DUQMIJZYESMPHS-LBPRGKRZSA-N 0 3 293.794 3.290 20 30 CGEDHN C[C@H](c1ccccc1)N1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000880251056 635956838 /nfs/dbraw/zinc/95/68/38/635956838.db2.gz POTUESWXFNEDEM-RYRKJORJSA-N 0 3 283.419 3.057 20 30 CGEDHN Cc1ccc(CN2CCC3(CCCCO3)CC2)cc1C#N ZINC000880458720 636003683 /nfs/dbraw/zinc/00/36/83/636003683.db2.gz JHJKWSRYTNQROA-UHFFFAOYSA-N 0 3 284.403 3.402 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)NCC1(C#N)CCCC1 ZINC000846011450 636129277 /nfs/dbraw/zinc/12/92/77/636129277.db2.gz VSOAYESSNUOPKX-CYBMUJFWSA-N 0 3 260.356 3.430 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cnc3ccccc3c2)C1 ZINC000847019645 636312599 /nfs/dbraw/zinc/31/25/99/636312599.db2.gz RZNZOKUWAATPKQ-CQSZACIVSA-N 0 3 250.345 3.080 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000847026577 636317173 /nfs/dbraw/zinc/31/71/73/636317173.db2.gz QBQHCYIGQJAWGK-AWEZNQCLSA-N 0 3 250.345 3.080 20 30 CGEDHN C=CCC(C)(C)C(=O)OC[C@H](C)N1CCCCC1 ZINC000847962941 636506707 /nfs/dbraw/zinc/50/67/07/636506707.db2.gz LFLGDPNGPNQYAN-ZDUSSCGKSA-N 0 3 253.386 3.006 20 30 CGEDHN Clc1cccnc1N=NC1CCCN2CCCC[C@H]12 ZINC000848402478 636567293 /nfs/dbraw/zinc/56/72/93/636567293.db2.gz BCOQADPWWWZHPQ-CYBMUJFWSA-N 0 3 278.787 3.151 20 30 CGEDHN C=CC[C@@H](N[C@H](C)c1ccnc(OC)c1)c1ccncc1 ZINC000848530478 636591272 /nfs/dbraw/zinc/59/12/72/636591272.db2.gz HUEPGTIUYMXDBR-CZUORRHYSA-N 0 3 283.375 3.453 20 30 CGEDHN C=CCC[C@@H](NCc1cc(F)cnc1Cl)[C@H]1CCCO1 ZINC000883226226 636597507 /nfs/dbraw/zinc/59/75/07/636597507.db2.gz UQFNFSMIGBSFBI-ZIAGYGMSSA-N 0 3 298.789 3.478 20 30 CGEDHN C=CCC[C@H](NCc1cnc(CCC)o1)[C@H]1CCCO1 ZINC000883227006 636598259 /nfs/dbraw/zinc/59/82/59/636598259.db2.gz JMPXUSNFEAUPMX-LSDHHAIUSA-N 0 3 278.396 3.231 20 30 CGEDHN N#Cc1sc(N[C@@H]2CCCN3CCCC[C@@H]23)nc1Cl ZINC000848785272 636657742 /nfs/dbraw/zinc/65/77/42/636657742.db2.gz KDCXTRFPYJAPJG-ZJUUUORDSA-N 0 3 296.827 3.097 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000848922983 636694127 /nfs/dbraw/zinc/69/41/27/636694127.db2.gz AUBDAEPOIRVUEN-LBPRGKRZSA-N 0 3 295.329 3.142 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(SC)s2)C1 ZINC000848924337 636695768 /nfs/dbraw/zinc/69/57/68/636695768.db2.gz QFCFQHMATYKIBF-NSHDSACASA-N 0 3 251.420 3.315 20 30 CGEDHN C#CC1(NCc2cncc(Br)c2C)CCCC1 ZINC000883361519 636703982 /nfs/dbraw/zinc/70/39/82/636703982.db2.gz FXKOWVKKIHWKPM-UHFFFAOYSA-N 0 3 293.208 3.188 20 30 CGEDHN C=C(C)C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000883391600 636735349 /nfs/dbraw/zinc/73/53/49/636735349.db2.gz OAVZUZBWRHISTL-HIFRSBDPSA-N 0 3 263.381 3.068 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000883392324 636736492 /nfs/dbraw/zinc/73/64/92/636736492.db2.gz FNYGZJIEXNVMDH-AAEUAGOBSA-N 0 3 283.774 3.383 20 30 CGEDHN C#CCCCN[C@H](C)c1ncc(Br)cc1F ZINC000187260252 636799767 /nfs/dbraw/zinc/79/97/67/636799767.db2.gz KGFKISCUBOMQGO-SECBINFHSA-N 0 3 285.160 3.047 20 30 CGEDHN CC(C)(CC#N)CNCc1ccccc1OCC(F)F ZINC000886142417 637433532 /nfs/dbraw/zinc/43/35/32/637433532.db2.gz BKGKLFQUOJKOTH-UHFFFAOYSA-N 0 3 282.334 3.360 20 30 CGEDHN C#CCOCCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000851792199 637505783 /nfs/dbraw/zinc/50/57/83/637505783.db2.gz JMQBHGFNMDOQDS-ZFWWWQNUSA-N 0 3 261.365 3.011 20 30 CGEDHN C#CC[C@@H]1CCN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886353185 637508885 /nfs/dbraw/zinc/50/88/85/637508885.db2.gz CZZFCNDJQGKYBI-LSDHHAIUSA-N 0 3 295.386 3.451 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000886353993 637509841 /nfs/dbraw/zinc/50/98/41/637509841.db2.gz UFOZKTKQTHGMLV-CQSZACIVSA-N 0 3 266.344 3.187 20 30 CGEDHN C#CCOCCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000851853242 637522650 /nfs/dbraw/zinc/52/26/50/637522650.db2.gz GVZRDJRLZXLNDL-UHFFFAOYSA-N 0 3 275.779 3.079 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(CC)ccc12 ZINC000852102506 637595969 /nfs/dbraw/zinc/59/59/69/637595969.db2.gz YOYLBXKXHHVVQK-SFHVURJKSA-N 0 3 283.371 3.247 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(SC(=O)N(C)C)cc1 ZINC000852100928 637596251 /nfs/dbraw/zinc/59/62/51/637596251.db2.gz BSGHXVANISTCKQ-INIZCTEOSA-N 0 3 290.432 3.352 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000852103901 637596995 /nfs/dbraw/zinc/59/69/95/637596995.db2.gz UYZMVUQYFRTYCR-HNNXBMFYSA-N 0 3 279.767 3.018 20 30 CGEDHN C=CCC1(O)CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000886761429 637679251 /nfs/dbraw/zinc/67/92/51/637679251.db2.gz DMMDTNPZVUWIIC-ZDUSSCGKSA-N 0 3 263.356 3.290 20 30 CGEDHN C[C@@H]1CCCCN1N=C1CCCc2ccc(N)cc21 ZINC000853382097 637831633 /nfs/dbraw/zinc/83/16/33/637831633.db2.gz SNAGCIZYHDEGPX-GFCCVEGCSA-N 0 3 257.381 3.184 20 30 CGEDHN Clc1ccc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000853435436 637841215 /nfs/dbraw/zinc/84/12/15/637841215.db2.gz OVVFMGNKTFAFHA-ZDUSSCGKSA-N 0 3 278.787 3.151 20 30 CGEDHN COc1ccc2c(c1)OCC[C@H]2N[C@H](C)CC(C)(C)C#N ZINC000925144402 638460982 /nfs/dbraw/zinc/46/09/82/638460982.db2.gz NMYSHWSGPVUFDJ-IUODEOHRSA-N 0 3 288.391 3.437 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](CCC)c1ncccc1Cl ZINC000925700143 638572264 /nfs/dbraw/zinc/57/22/64/638572264.db2.gz ZAZHTNJRALVTHX-OCCSQVGLSA-N 0 3 282.815 3.350 20 30 CGEDHN C=CCCCC[C@@H](C)N1CCc2sc(CN)nc2C1 ZINC000925751277 638596049 /nfs/dbraw/zinc/59/60/49/638596049.db2.gz YLQXTTBWYXPZHT-GFCCVEGCSA-N 0 3 279.453 3.095 20 30 CGEDHN C#CC[C@@H](COC)NCc1cc2cc(C)c(C)cc2o1 ZINC000858335440 638685010 /nfs/dbraw/zinc/68/50/10/638685010.db2.gz VADGTLNZFCGCTN-HNNXBMFYSA-N 0 3 271.360 3.178 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cccc(Br)n1 ZINC000926550676 638784074 /nfs/dbraw/zinc/78/40/74/638784074.db2.gz NIVRBIHTSSCVHV-JTQLQIEISA-N 0 3 269.186 3.461 20 30 CGEDHN C=CCCC1(CN[C@H]2C[C@H](C)n3ncnc32)CCCC1 ZINC000926682257 638798183 /nfs/dbraw/zinc/79/81/83/638798183.db2.gz DTHCEJSPTIHSQH-KBPBESRZSA-N 0 3 274.412 3.400 20 30 CGEDHN C=C1CCC(CN[C@@H](C)c2nn(CC)nc2C)CC1 ZINC000926925668 638826447 /nfs/dbraw/zinc/82/64/47/638826447.db2.gz JVEDTTYVPYJAGY-LBPRGKRZSA-N 0 3 262.401 3.003 20 30 CGEDHN C=C1CCC(C[NH2+][C@@H](c2cccs2)c2nnc[n-]2)CC1 ZINC000926925080 638826457 /nfs/dbraw/zinc/82/64/57/638826457.db2.gz HKJIZKRQNSYUHU-AWEZNQCLSA-N 0 3 288.420 3.292 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1nc2c(s1)COCC2 ZINC000927117212 638844483 /nfs/dbraw/zinc/84/44/83/638844483.db2.gz KOWOVLDSBKRMJI-GFCCVEGCSA-N 0 3 280.437 3.440 20 30 CGEDHN CC(C)N(CC(=O)OC(C)(C)C)CC1CCC(C#N)CC1 ZINC000930142219 638977502 /nfs/dbraw/zinc/97/75/02/638977502.db2.gz HDNRDSJPSIEGOV-UHFFFAOYSA-N 0 3 294.439 3.368 20 30 CGEDHN N#Cc1cncc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000930239713 638985425 /nfs/dbraw/zinc/98/54/25/638985425.db2.gz QYHUFODXSIYXEM-QGZVFWFLSA-N 0 3 263.344 3.194 20 30 CGEDHN C[C@@](Cc1ccccc1)(NC[C@H](O)CC#N)c1ccccc1 ZINC000930738037 639061454 /nfs/dbraw/zinc/06/14/54/639061454.db2.gz IIQIVTKSCXWWIS-MOPGFXCFSA-N 0 3 294.398 3.009 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000930978894 639094394 /nfs/dbraw/zinc/09/43/94/639094394.db2.gz SBOMLFFCOJCEPU-HNNXBMFYSA-N 0 3 292.423 3.081 20 30 CGEDHN CCCCCCCN1CCN(CCc2ccncc2)CC1 ZINC000931344206 639138298 /nfs/dbraw/zinc/13/82/98/639138298.db2.gz DZRUNCFTZSNGGN-UHFFFAOYSA-N 0 3 289.467 3.212 20 30 CGEDHN CCc1onc(C)c1CN(C)CCc1cccc(C#N)c1 ZINC000931511054 639162243 /nfs/dbraw/zinc/16/22/43/639162243.db2.gz WSVIYONAONQZQQ-UHFFFAOYSA-N 0 3 283.375 3.092 20 30 CGEDHN CCCc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933649193 639474697 /nfs/dbraw/zinc/47/46/97/639474697.db2.gz YCYYYRCEMHJFDI-UHFFFAOYSA-N 0 3 299.414 3.477 20 30 CGEDHN N#Cc1cc(CN[C@@H](c2ccncc2)C2CC2)ccc1F ZINC000934690659 639658207 /nfs/dbraw/zinc/65/82/07/639658207.db2.gz BPGPNHCDOHMXDT-QGZVFWFLSA-N 0 3 281.334 3.333 20 30 CGEDHN C=C(C)c1cccc(NC(=O)N(CC)[C@H]2CCN(C)C2)c1 ZINC000934886560 639703028 /nfs/dbraw/zinc/70/30/28/639703028.db2.gz DNZWFDMCQWTRFQ-INIZCTEOSA-N 0 3 287.407 3.278 20 30 CGEDHN N#CC(C(=O)CCc1c[nH]c2ccccc12)c1ccccn1 ZINC000041493660 639903770 /nfs/dbraw/zinc/90/37/70/639903770.db2.gz XOOUHRLWCXQLFH-HNNXBMFYSA-N 0 3 289.338 3.372 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015673995 640983808 /nfs/dbraw/zinc/98/38/08/640983808.db2.gz SUKOPWVDHWDZIL-KRWDZBQOSA-N 0 3 298.430 3.042 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001017866241 641016894 /nfs/dbraw/zinc/01/68/94/641016894.db2.gz QWJNVVWMVJUMFH-VQHPVUNQSA-N 0 3 290.451 3.064 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001155601146 805597445 /nfs/dbraw/zinc/59/74/45/805597445.db2.gz HNURXJVGLJRQMZ-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)CCCCCC ZINC001156310737 805674770 /nfs/dbraw/zinc/67/47/70/805674770.db2.gz CTGZGTLKOXEOKD-IAGOWNOFSA-N 0 3 294.483 3.443 20 30 CGEDHN CN(C)Cc1ccnc(NC(C)(C)c2ccc(C#N)cc2)c1 ZINC001156433803 805692113 /nfs/dbraw/zinc/69/21/13/805692113.db2.gz YBNMXMSKQMVTTF-UHFFFAOYSA-N 0 3 294.402 3.362 20 30 CGEDHN CN(C)c1ccc2nc(CCc3ccc(C#N)cc3)[nH]c2c1 ZINC001250581977 805706423 /nfs/dbraw/zinc/70/64/23/805706423.db2.gz QEBBEJSFSAEBDS-UHFFFAOYSA-N 0 3 290.370 3.286 20 30 CGEDHN CCN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC001250586089 805708376 /nfs/dbraw/zinc/70/83/76/805708376.db2.gz FZTNIJHXESEYOB-UHFFFAOYSA-N 0 3 291.398 3.367 20 30 CGEDHN C=CCCCCc1nc2ccc(N3CCOCC3)cc2[nH]1 ZINC001250616022 805727809 /nfs/dbraw/zinc/72/78/09/805727809.db2.gz URXPJXIJARIWQF-UHFFFAOYSA-N 0 3 285.391 3.298 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCC1CCCC1 ZINC001157183980 805787605 /nfs/dbraw/zinc/78/76/05/805787605.db2.gz GWASZTYDMBXSMG-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N1CCCC[C@@](C)(F)C1 ZINC001157906062 805901194 /nfs/dbraw/zinc/90/11/94/805901194.db2.gz ZJUKCVSNSJCRAR-GOEBONIOSA-N 0 3 284.419 3.191 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(=C)C ZINC001158363221 805944878 /nfs/dbraw/zinc/94/48/78/805944878.db2.gz BSWXVKVEPBZUAO-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C1CCC(C(=O)N2CCN(C)C3(CCCCC3)C2)CC1 ZINC001158700471 805986643 /nfs/dbraw/zinc/98/66/43/805986643.db2.gz BEIORYFUYLZCOU-UHFFFAOYSA-N 0 3 290.451 3.210 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cc(F)ccn1 ZINC001252138576 806023105 /nfs/dbraw/zinc/02/31/05/806023105.db2.gz BEHMOUALKXNPOY-INIZCTEOSA-N 0 3 282.403 3.422 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cncn1CCF ZINC001252139927 806025362 /nfs/dbraw/zinc/02/53/62/806025362.db2.gz VDRFRXOSUFYHLY-INIZCTEOSA-N 0 3 299.434 3.054 20 30 CGEDHN C=C[C@](C)(O)CN(Cc1ccccc1)Cc1ccccn1 ZINC001252549034 806061791 /nfs/dbraw/zinc/06/17/91/806061791.db2.gz ZOSIQEXDJRUZPW-SFHVURJKSA-N 0 3 282.387 3.021 20 30 CGEDHN C=C[C@@](C)(O)CN1CCC[C@H]1c1ccc(Cl)s1 ZINC001252554997 806063109 /nfs/dbraw/zinc/06/31/09/806063109.db2.gz NQPOQVZNIOSGID-GXFFZTMASA-N 0 3 271.813 3.475 20 30 CGEDHN C=CCC[C@@H](O)CNCc1c(F)cccc1C(F)(F)F ZINC001252616624 806090294 /nfs/dbraw/zinc/09/02/94/806090294.db2.gz RMZFZTLTUSPOEH-SNVBAGLBSA-N 0 3 291.288 3.261 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)COC[C@H](CC)CCCC ZINC001253006058 806153013 /nfs/dbraw/zinc/15/30/13/806153013.db2.gz IECQNALTNCIYCN-IAGOWNOFSA-N 0 3 283.456 3.254 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001160221639 806238148 /nfs/dbraw/zinc/23/81/48/806238148.db2.gz ICZZQSFRXHZOIW-DOTOQJQBSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C[C@@H](NC[C@@H](O)COc1ccc(C)cc1)c1ccccc1 ZINC001253850339 806315694 /nfs/dbraw/zinc/31/56/94/806315694.db2.gz DBZBUHCUVVDNMH-IEBWSBKVSA-N 0 3 297.398 3.252 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1nc(C)nc2ccsc21 ZINC001160951803 806326685 /nfs/dbraw/zinc/32/66/85/806326685.db2.gz LIXQCVHIAFLVAD-LBPRGKRZSA-N 0 3 288.420 3.062 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)c2ccccc2CC)CC1 ZINC001161043389 806341271 /nfs/dbraw/zinc/34/12/71/806341271.db2.gz BVNSZAKTCNHYJC-UHFFFAOYSA-N 0 3 298.430 3.187 20 30 CGEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C#N)CC1 ZINC001254559486 806449505 /nfs/dbraw/zinc/44/95/05/806449505.db2.gz KBYNKSCNCZNKRF-KBPBESRZSA-N 0 3 287.363 3.151 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H](CO)c2ccc(Cl)c(Cl)c2)C1 ZINC001254653467 806475288 /nfs/dbraw/zinc/47/52/88/806475288.db2.gz NXFQHYQXNHELFA-PXWWUCIGSA-N 0 3 299.201 3.309 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC001254655511 806477102 /nfs/dbraw/zinc/47/71/02/806477102.db2.gz DOXFRAXQWQTOBV-GWCFXTLKSA-N 0 3 293.292 3.359 20 30 CGEDHN CC(=O)C1(c2ccccc2)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254667166 806479910 /nfs/dbraw/zinc/47/99/10/806479910.db2.gz ALIYEBMABXDVMP-AEFFLSMTSA-N 0 3 296.414 3.301 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CC1(C)CCCCC1 ZINC001162240676 806538929 /nfs/dbraw/zinc/53/89/29/806538929.db2.gz KVSMNCJWXOODBP-UHFFFAOYSA-N 0 3 286.847 3.195 20 30 CGEDHN C=CCc1cc(C)cnc1-n1c2ccccc2nc1[C@H](C)N ZINC001162758262 806658586 /nfs/dbraw/zinc/65/85/86/806658586.db2.gz HKWHRYJPEGNAPZ-ZDUSSCGKSA-N 0 3 292.386 3.477 20 30 CGEDHN CCc1ccc(CNCc2ccc(C#N)cc2)s1 ZINC000037749219 798873582 /nfs/dbraw/zinc/87/35/82/798873582.db2.gz MZMMFRKYNBPOPF-UHFFFAOYSA-N 0 3 256.374 3.472 20 30 CGEDHN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128769613 799019270 /nfs/dbraw/zinc/01/92/70/799019270.db2.gz AEOOQVXDPDGBHL-BYCMXARLSA-N 0 3 292.338 3.143 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 ZINC000128574322 799020000 /nfs/dbraw/zinc/02/00/00/799020000.db2.gz ZGYWEOBCCJFYSE-OAHLLOKOSA-N 0 3 284.359 3.087 20 30 CGEDHN C(#Cc1ccccc1)CNCc1ccccc1-n1cccn1 ZINC000386008364 799430142 /nfs/dbraw/zinc/43/01/42/799430142.db2.gz PBLSXWJXPCIRCG-UHFFFAOYSA-N 0 3 287.366 3.014 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(Cl)c(OC)c1 ZINC000703626442 799927199 /nfs/dbraw/zinc/92/71/99/799927199.db2.gz QZLYUVGAMBNOML-AWEZNQCLSA-N 0 3 251.757 3.240 20 30 CGEDHN CCN(C[C@@H](C)C#N)C[C@@H]1CC(C)(C)OC1(C)C ZINC000711277232 800051162 /nfs/dbraw/zinc/05/11/62/800051162.db2.gz HCDCXACDLSIHKF-STQMWFEESA-N 0 3 252.402 3.062 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000711552066 800067775 /nfs/dbraw/zinc/06/77/75/800067775.db2.gz AFBWHAPEYQKEFJ-BETUJISGSA-N 0 3 278.808 3.006 20 30 CGEDHN CCCCCCCN[C@H](C)c1cn(CCC)nn1 ZINC000715862914 800148301 /nfs/dbraw/zinc/14/83/01/800148301.db2.gz RMWSKJSBWYFSCN-CYBMUJFWSA-N 0 3 252.406 3.309 20 30 CGEDHN C[C@H](CNc1nc(Cl)c(C#N)s1)N1CCC[C@@H](C)C1 ZINC000804350354 800397793 /nfs/dbraw/zinc/39/77/93/800397793.db2.gz ZPBHGOPKOLSOAH-NXEZZACHSA-N 0 3 298.843 3.200 20 30 CGEDHN C=CCCSCCNCc1ccc(OCC)o1 ZINC000895331519 800581172 /nfs/dbraw/zinc/58/11/72/800581172.db2.gz XRLTVZSKYQQNMT-UHFFFAOYSA-N 0 3 255.383 3.077 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2nccc3c2CCCC3)C1 ZINC000903181081 800595000 /nfs/dbraw/zinc/59/50/00/800595000.db2.gz DQTDMVXJIZJZPT-HIFRSBDPSA-N 0 3 269.392 3.132 20 30 CGEDHN Cc1cccc2c1C[C@@H](NCc1csc(C#N)c1)CO2 ZINC000922284614 800617640 /nfs/dbraw/zinc/61/76/40/800617640.db2.gz KSCOJBVERTXEOC-CYBMUJFWSA-N 0 3 284.384 3.022 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2C)C1 ZINC001023151206 800704938 /nfs/dbraw/zinc/70/49/38/800704938.db2.gz HFDWCECXACRUKU-BEAPCOKYSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001024430225 800728660 /nfs/dbraw/zinc/72/86/60/800728660.db2.gz VSDPTCOOPFBELY-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001028027681 800828930 /nfs/dbraw/zinc/82/89/30/800828930.db2.gz AYYJYHAQNSXPGR-HNNXBMFYSA-N 0 3 292.810 3.029 20 30 CGEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028242071 800836394 /nfs/dbraw/zinc/83/63/94/800836394.db2.gz ARSVNVMLIHDFGV-SFHVURJKSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001028294407 800840170 /nfs/dbraw/zinc/84/01/70/800840170.db2.gz BUICLLVVYBLXIO-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028339310 800843090 /nfs/dbraw/zinc/84/30/90/800843090.db2.gz RQQHBYRMKMAAMN-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032606442 800931399 /nfs/dbraw/zinc/93/13/99/800931399.db2.gz UIEPGYBJUGRKQE-MPGHIAIKSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033679007 800972675 /nfs/dbraw/zinc/97/26/75/800972675.db2.gz RNQQQOOQVZWCNS-FUHWJXTLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034166075 801008723 /nfs/dbraw/zinc/00/87/23/801008723.db2.gz SIQMFCQSNAZAOP-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001034263726 801014803 /nfs/dbraw/zinc/01/48/03/801014803.db2.gz BLQQYFZBUALSBQ-IRXDYDNUSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332764 801018215 /nfs/dbraw/zinc/01/82/15/801018215.db2.gz LTNXUBRKDUMNBV-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034376839 801022180 /nfs/dbraw/zinc/02/21/80/801022180.db2.gz HHUBKAIMTRIBMF-QGZVFWFLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034501591 801029346 /nfs/dbraw/zinc/02/93/46/801029346.db2.gz XEXFVJTTYFAETL-KRWDZBQOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001034538664 801032439 /nfs/dbraw/zinc/03/24/39/801032439.db2.gz UQLZUXVODOAIAR-WMZOPIPTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccccc1CC ZINC001038644869 801131012 /nfs/dbraw/zinc/13/10/12/801131012.db2.gz MPOTXBNXMVSSCY-INIZCTEOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001038772112 801133988 /nfs/dbraw/zinc/13/39/88/801133988.db2.gz FKJGDVXMTAPWGK-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001039432285 801162391 /nfs/dbraw/zinc/16/23/91/801162391.db2.gz QMILZRLTCMVETO-WCXIOVBPSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001045647469 801284387 /nfs/dbraw/zinc/28/43/87/801284387.db2.gz GSFWDCIBUUFASH-GJZGRUSLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176615 801301671 /nfs/dbraw/zinc/30/16/71/801301671.db2.gz BRKVMCATOQVYGE-KRWDZBQOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046328371 801307654 /nfs/dbraw/zinc/30/76/54/801307654.db2.gz YTRWHUHSFNKMQA-DAYGRLMNSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCCCC1 ZINC001049372335 801368510 /nfs/dbraw/zinc/36/85/10/801368510.db2.gz IWSAALOMMSVDDC-SJORKVTESA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCCC1 ZINC001049412845 801372126 /nfs/dbraw/zinc/37/21/26/801372126.db2.gz QDBBBQXRYCNEEJ-IRXDYDNUSA-N 0 3 288.435 3.128 20 30 CGEDHN C=C(C)CN1CCc2c(CNC(=O)C3CCC3)cccc2C1 ZINC001051275430 801416005 /nfs/dbraw/zinc/41/60/05/801416005.db2.gz QQMLRLXIUVHPSW-UHFFFAOYSA-N 0 3 298.430 3.037 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071390520 801531906 /nfs/dbraw/zinc/53/19/06/801531906.db2.gz BJSDSUHWLSPMQO-RDJZCZTQSA-N 0 3 290.451 3.422 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(Cl)o2)CC[C@H]1C ZINC001071352173 801532551 /nfs/dbraw/zinc/53/25/51/801532551.db2.gz NQFMDWIJHCPVLM-VXGBXAGGSA-N 0 3 296.798 3.092 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457618 801536319 /nfs/dbraw/zinc/53/63/19/801536319.db2.gz KHQDYGZCTNYLGL-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085957145 801714743 /nfs/dbraw/zinc/71/47/43/801714743.db2.gz UQUAAWAYVGNMKU-QGZVFWFLSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001085976204 801714775 /nfs/dbraw/zinc/71/47/75/801714775.db2.gz QJNZAUIZFFKZOG-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001086189237 801722024 /nfs/dbraw/zinc/72/20/24/801722024.db2.gz PQHUYNPCPVWLAY-BYNSBNAKSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2C)[C@H]1CC ZINC001087566972 801756221 /nfs/dbraw/zinc/75/62/21/801756221.db2.gz OLCIJOXWVBDVLU-LSDHHAIUSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C(C)(C)C)C1 ZINC001088416602 801793054 /nfs/dbraw/zinc/79/30/54/801793054.db2.gz SHGSTXQYFOEDRU-ZDUSSCGKSA-N 0 3 286.847 3.146 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565215 801801711 /nfs/dbraw/zinc/80/17/11/801801711.db2.gz HDSISZFKAZKJDQ-PMPSAXMXSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@H]1C ZINC001088898600 801813272 /nfs/dbraw/zinc/81/32/72/801813272.db2.gz MKKIDYLTXDZUQG-PWSUYJOCSA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2Cl)[C@H]1C ZINC001088899974 801813300 /nfs/dbraw/zinc/81/33/00/801813300.db2.gz KBQHWNBFMGLPQH-PWSUYJOCSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)[C@H]1C ZINC001089087086 801822290 /nfs/dbraw/zinc/82/22/90/801822290.db2.gz QFIPKVOFBQLKOF-ZBFHGGJFSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001089626494 801845475 /nfs/dbraw/zinc/84/54/75/801845475.db2.gz KDDQCTPXUTZVNL-GPANFISMSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001089638453 801849791 /nfs/dbraw/zinc/84/97/91/801849791.db2.gz XPNJNVBEZXUUEM-OAHLLOKOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001098888376 801918305 /nfs/dbraw/zinc/91/83/05/801918305.db2.gz MOTRFULKIUXAGJ-JKSUJKDBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001099060905 801928107 /nfs/dbraw/zinc/92/81/07/801928107.db2.gz PODAHCCHADWLBQ-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001099251160 801934061 /nfs/dbraw/zinc/93/40/61/801934061.db2.gz GZZPQAOZLXKZGI-CABCVRRESA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)C2 ZINC001109804476 802124305 /nfs/dbraw/zinc/12/43/05/802124305.db2.gz QBNAEALFWSHRHW-FZKCQIBNSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CCC)C2 ZINC001110374744 802138960 /nfs/dbraw/zinc/13/89/60/802138960.db2.gz MCBAHMDSQFXRFU-FPCVCCKLSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)/C(C)=C\C)CCCCC1 ZINC001115473009 802265020 /nfs/dbraw/zinc/26/50/20/802265020.db2.gz KIBWLJNGCNCAJQ-QCDXTXTGSA-N 0 3 284.831 3.114 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1cccc(OC(F)F)c1 ZINC001116643717 802391226 /nfs/dbraw/zinc/39/12/26/802391226.db2.gz TXJDJJCPUKUQTJ-ZYHUDNBSSA-N 0 3 271.307 3.140 20 30 CGEDHN Cc1sccc1CNCc1cccc(OCC#N)c1 ZINC001117706572 802480148 /nfs/dbraw/zinc/48/01/48/802480148.db2.gz KMPGASMUGPJMEO-UHFFFAOYSA-N 0 3 272.373 3.249 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CC2CCC1CC2)c1ccccc1 ZINC001119309279 802646680 /nfs/dbraw/zinc/64/66/80/802646680.db2.gz URMRAZQSYXQNHK-NKELODKYSA-N 0 3 296.414 3.301 20 30 CGEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1c1ccccc1 ZINC001119323441 802649444 /nfs/dbraw/zinc/64/94/44/802649444.db2.gz ZUMDUZOALZIBSX-OIISXLGYSA-N 0 3 299.418 3.007 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cccnc1C ZINC001121983802 802855623 /nfs/dbraw/zinc/85/56/23/802855623.db2.gz VARPNSSOZNDLBX-AWEZNQCLSA-N 0 3 277.412 3.406 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001122218575 802863601 /nfs/dbraw/zinc/86/36/01/802863601.db2.gz VCPFQAIHDOUGRE-INIZCTEOSA-N 0 3 283.375 3.058 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC001123237008 802920024 /nfs/dbraw/zinc/92/00/24/802920024.db2.gz MAGXRZPTUIJOLE-IUODEOHRSA-N 0 3 299.349 3.097 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001123335990 802930275 /nfs/dbraw/zinc/93/02/75/802930275.db2.gz AVOPSSIOJIQRBQ-YRGRVCCFSA-N 0 3 273.380 3.152 20 30 CGEDHN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001123475651 802947967 /nfs/dbraw/zinc/94/79/67/802947967.db2.gz GFYLWWHWVCQYNW-ADEWGFFLSA-N 0 3 278.302 3.362 20 30 CGEDHN CN1CCC(Oc2ccnc(C3=CC[C@@H](C#N)CC3)c2)CC1 ZINC001243796361 803014844 /nfs/dbraw/zinc/01/48/44/803014844.db2.gz MDZCJDARRIJIEV-CQSZACIVSA-N 0 3 297.402 3.262 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(CC(C)C)CC2)CC[C@H]1C ZINC001132086957 803373386 /nfs/dbraw/zinc/37/33/86/803373386.db2.gz KYHHJNAXUJHETG-HZPDHXFCSA-N 0 3 292.467 3.358 20 30 CGEDHN C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132228287 803383295 /nfs/dbraw/zinc/38/32/95/803383295.db2.gz OMWRYXGDVCZJBX-DLBZAZTESA-N 0 3 290.451 3.115 20 30 CGEDHN Cc1c(C#N)cccc1-c1cnccc1/C=C/N(C)C ZINC001244819793 803536353 /nfs/dbraw/zinc/53/63/53/803536353.db2.gz CKGKABHHRWYECF-CSKARUKUSA-N 0 3 263.344 3.461 20 30 CGEDHN SCc1ccccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245424649 803733362 /nfs/dbraw/zinc/73/33/62/803733362.db2.gz FJMQYUASEIIOPT-MRXNPFEDSA-N 0 3 289.444 3.385 20 30 CGEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2nccnc12 ZINC001138307763 803891924 /nfs/dbraw/zinc/89/19/24/803891924.db2.gz KUAYAJNTWVAEGP-UHFFFAOYSA-N 0 3 288.354 3.133 20 30 CGEDHN CN(Cc1ccc(C#Cc2ccccc2)cc1)[C@H]1CCOC1 ZINC001138336030 803897948 /nfs/dbraw/zinc/89/79/48/803897948.db2.gz IAQMCPUYVLKKLG-FQEVSTJZSA-N 0 3 291.394 3.307 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](OCCC)C2)c1[O-] ZINC001138629285 803985226 /nfs/dbraw/zinc/98/52/26/803985226.db2.gz TXRHADRIIMHGBU-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](OCCC)C2)c1[O-] ZINC001138629285 803985236 /nfs/dbraw/zinc/98/52/36/803985236.db2.gz TXRHADRIIMHGBU-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1[O-] ZINC001138627857 803985876 /nfs/dbraw/zinc/98/58/76/803985876.db2.gz HDCBBFLKCCNGAO-FFGGFLGDSA-N 0 3 282.387 3.387 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1[O-] ZINC001138627857 803985881 /nfs/dbraw/zinc/98/58/81/803985881.db2.gz HDCBBFLKCCNGAO-FFGGFLGDSA-N 0 3 282.387 3.387 20 30 CGEDHN C=C(C)COc1ccccc1CN1C[C@H](C)N(C)C[C@H]1C ZINC001138661889 803995608 /nfs/dbraw/zinc/99/56/08/803995608.db2.gz IHEBOPZPLZGFIB-JKSUJKDBSA-N 0 3 288.435 3.166 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCN(CCC)CC1 ZINC001138665553 803996178 /nfs/dbraw/zinc/99/61/78/803996178.db2.gz PVQGYFHVLSLCCD-UHFFFAOYSA-N 0 3 288.435 3.169 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2cccc(C(=O)OC)c12 ZINC001139722185 804265084 /nfs/dbraw/zinc/26/50/84/804265084.db2.gz RJOFBRWJNKYCQB-UHFFFAOYSA-N 0 3 284.359 3.129 20 30 CGEDHN C=CCCN(Cc1cnn(CCOC)c1)Cc1ccccc1 ZINC001139782337 804280098 /nfs/dbraw/zinc/28/00/98/804280098.db2.gz FNASFZQYWQRDDF-UHFFFAOYSA-N 0 3 299.418 3.108 20 30 CGEDHN C=CCn1cc(CN2CCC3(CC[C@@H](F)C3)CC2)cn1 ZINC001139772674 804280290 /nfs/dbraw/zinc/28/02/90/804280290.db2.gz OMWCVABIRJIKBE-OAHLLOKOSA-N 0 3 277.387 3.173 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@H]1CC ZINC001139869594 804302348 /nfs/dbraw/zinc/30/23/48/804302348.db2.gz MLKIGXNUILVQFR-HZPDHXFCSA-N 0 3 280.456 3.169 20 30 CGEDHN CN(Cc1ccc2cnn(C)c2c1)Cc1cccc(C#N)c1 ZINC001139911257 804326845 /nfs/dbraw/zinc/32/68/45/804326845.db2.gz MURMLCIPIZYWRB-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN CC1(C#N)CCN(Cc2ccccc2-c2cncnc2)CC1 ZINC001140022344 804353623 /nfs/dbraw/zinc/35/36/23/804353623.db2.gz LLYDFLCZRLQTBS-UHFFFAOYSA-N 0 3 292.386 3.269 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCC(F)(F)[C@H](N)C1 ZINC001246584840 804427535 /nfs/dbraw/zinc/42/75/35/804427535.db2.gz VFIGWVUJDVBQNK-CHWSQXEVSA-N 0 3 262.388 3.404 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCCC3)CC2)cn1 ZINC001140540487 804456962 /nfs/dbraw/zinc/45/69/62/804456962.db2.gz XZQTUPWWUUGEBA-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@@]1(C)O ZINC001140599775 804471160 /nfs/dbraw/zinc/47/11/60/804471160.db2.gz QLTNWFAHMVQEHP-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1ccc(OC)c(N)c1 ZINC001140898639 804545848 /nfs/dbraw/zinc/54/58/48/804545848.db2.gz UKUAUBMYFZNSAO-UHFFFAOYSA-N 0 3 282.387 3.466 20 30 CGEDHN N#C[C@H]1CCCN(Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140980397 804561709 /nfs/dbraw/zinc/56/17/09/804561709.db2.gz WHIOXWMUTNKDME-HNNXBMFYSA-N 0 3 292.386 3.269 20 30 CGEDHN N#Cc1c(N)sc(CN2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC001141108599 804591898 /nfs/dbraw/zinc/59/18/98/804591898.db2.gz BCPWLQDCJXBHBI-IUCAKERBSA-N 0 3 281.812 3.087 20 30 CGEDHN CCc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001141224640 804614195 /nfs/dbraw/zinc/61/41/95/804614195.db2.gz GBKCOURXTWZLGS-HNNXBMFYSA-N 0 3 273.401 3.023 20 30 CGEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2[nH]cnc21 ZINC001142693111 804757814 /nfs/dbraw/zinc/75/78/14/804757814.db2.gz USDQKXKQYVYECV-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN CC1(C#N)CCN(Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142922481 804785072 /nfs/dbraw/zinc/78/50/72/804785072.db2.gz JEKDSKRFHWILEK-UHFFFAOYSA-N 0 3 278.359 3.165 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CC(F)C3)CC2)nc1 ZINC001144163315 804947201 /nfs/dbraw/zinc/94/72/01/804947201.db2.gz AWNMMLDWFXZYBL-UHFFFAOYSA-N 0 3 273.355 3.057 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C(C)(C)CC(C)(C)C)C2)C1 ZINC001148804109 805211204 /nfs/dbraw/zinc/21/12/04/805211204.db2.gz ONWSJAPAUDDDRJ-UHFFFAOYSA-N 0 3 292.467 3.169 20 30 CGEDHN CN1CCc2ccc(Nc3ccc(C#N)cc3)cc2C1 ZINC001249712663 805220822 /nfs/dbraw/zinc/22/08/22/805220822.db2.gz DLRLBNNNSGQODO-UHFFFAOYSA-N 0 3 263.344 3.290 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](CC)CCCC ZINC001154385632 805453978 /nfs/dbraw/zinc/45/39/78/805453978.db2.gz OMEFOVJWUHGPQF-SJORKVTESA-N 0 3 294.483 3.443 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CC)CCCC ZINC001154916332 805507087 /nfs/dbraw/zinc/50/70/87/805507087.db2.gz GNDLKMSANUGZOQ-CYBMUJFWSA-N 0 3 274.836 3.051 20 30 CGEDHN N#Cc1ccc(C2CCC(N3CCOCC34CC4)CC2)cc1 ZINC001257019209 807028706 /nfs/dbraw/zinc/02/87/06/807028706.db2.gz KMXOGGICBOKAHB-UHFFFAOYSA-N 0 3 296.414 3.449 20 30 CGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H]2CCCC[C@H]2C)c1 ZINC001167072991 807142979 /nfs/dbraw/zinc/14/29/79/807142979.db2.gz WWZLWYGDXPCRGA-NVXWUHKLSA-N 0 3 298.430 3.365 20 30 CGEDHN CCC[C@@H](C)CC[C@@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001257478071 807175934 /nfs/dbraw/zinc/17/59/34/807175934.db2.gz QAOJWVXTEOJUIO-RQJABVFESA-N 0 3 272.433 3.101 20 30 CGEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)N(C)C(C)C ZINC001167387012 807189070 /nfs/dbraw/zinc/18/90/70/807189070.db2.gz NEJIRXISZLAXDW-HNNXBMFYSA-N 0 3 280.456 3.310 20 30 CGEDHN CCCCC[C@@H](C)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001257521367 807192985 /nfs/dbraw/zinc/19/29/85/807192985.db2.gz ZVBUDPJBUZPSGP-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN C=C1C[C@@H]2CC(Nc3ccc(CN)nc3)C[C@H](C1)C2 ZINC001257888163 807238562 /nfs/dbraw/zinc/23/85/62/807238562.db2.gz ZUHLFRIHVOWQFS-OCZCAGDBSA-N 0 3 257.381 3.087 20 30 CGEDHN C[C@@H](Cc1ccc(Cl)cc1)NC(=N)c1ccc(F)cn1 ZINC001168153693 807326926 /nfs/dbraw/zinc/32/69/26/807326926.db2.gz KLPXHFORUMETGN-JTQLQIEISA-N 0 3 291.757 3.211 20 30 CGEDHN CC1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001168201570 807346839 /nfs/dbraw/zinc/34/68/39/807346839.db2.gz YHGRRXZOPOSJRC-UHFFFAOYSA-N 0 3 251.761 3.019 20 30 CGEDHN CCCCCCCCC[C@@H](C)N(C)CC(=O)NC ZINC001258228816 807377252 /nfs/dbraw/zinc/37/72/52/807377252.db2.gz KGHMXUYIKULFIA-CQSZACIVSA-N 0 3 256.434 3.193 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(c2ccc(F)cc2F)CC1 ZINC001258735432 807580673 /nfs/dbraw/zinc/58/06/73/807580673.db2.gz UNLUIHTZKAGOQW-CYBMUJFWSA-N 0 3 280.362 3.442 20 30 CGEDHN CCCC[C@H](CCC)NCc1ncc(C#N)s1 ZINC001258756241 807596660 /nfs/dbraw/zinc/59/66/60/807596660.db2.gz LRMVIUBXWDOSES-NSHDSACASA-N 0 3 251.399 3.463 20 30 CGEDHN CC(C)C1CCC(NCc2ncc(C#N)s2)CC1 ZINC001258802700 807624045 /nfs/dbraw/zinc/62/40/45/807624045.db2.gz WKVAXBDZKODFEV-UHFFFAOYSA-N 0 3 263.410 3.319 20 30 CGEDHN COc1ccccc1C[C@H](C)NC1(CC#N)CCCC1 ZINC001258886109 807664890 /nfs/dbraw/zinc/66/48/90/807664890.db2.gz CHMWZTANINPYRN-AWEZNQCLSA-N 0 3 272.392 3.442 20 30 CGEDHN C=CCc1cc(C)cnc1N1CCCc2ccc(CN)nc21 ZINC001169583952 807670526 /nfs/dbraw/zinc/67/05/26/807670526.db2.gz IFHXZISSPKJOHM-UHFFFAOYSA-N 0 3 294.402 3.057 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001169720380 807697358 /nfs/dbraw/zinc/69/73/58/807697358.db2.gz RGAXBYIZQLUVBL-KBPBESRZSA-N 0 3 286.847 3.051 20 30 CGEDHN N#CC[C@H]1CCCN([C@H]2CCc3c2cccc3F)C1 ZINC001261641094 807772556 /nfs/dbraw/zinc/77/25/56/807772556.db2.gz WFGSDELYFOKQMS-WBMJQRKESA-N 0 3 258.340 3.439 20 30 CGEDHN C=CCCCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001170301461 807821282 /nfs/dbraw/zinc/82/12/82/807821282.db2.gz WARORQKIGZLKSE-LDADJPATSA-N 0 3 256.353 3.158 20 30 CGEDHN CO[C@@]1(C)C[C@@H](NCC#Cc2cccc(Cl)c2)C1(C)C ZINC001170388116 807833521 /nfs/dbraw/zinc/83/35/21/807833521.db2.gz YQOKAGZHFATKCH-WBVHZDCISA-N 0 3 291.822 3.485 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC001263084814 807932038 /nfs/dbraw/zinc/93/20/38/807932038.db2.gz HBEQBHQPIPYRIZ-INIZCTEOSA-N 0 3 288.391 3.098 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)Nc1cccc(F)c1CN ZINC001171178723 808001199 /nfs/dbraw/zinc/00/11/99/808001199.db2.gz KGFOESZFUKWZMP-LBPRGKRZSA-N 0 3 283.350 3.199 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001263817382 808008327 /nfs/dbraw/zinc/00/83/27/808008327.db2.gz UQEGOURIIMLFJJ-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H](C(F)(F)F)C1 ZINC001171221661 808012201 /nfs/dbraw/zinc/01/22/01/808012201.db2.gz RPKMAOGDZKIGNQ-BXUZGUMPSA-N 0 3 282.309 3.373 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001263860067 808014924 /nfs/dbraw/zinc/01/49/24/808014924.db2.gz JRKHRSFOROEDHV-MQMHXKEQSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)CC2CCCCC2)[C@H]1C ZINC001264170810 808043294 /nfs/dbraw/zinc/04/32/94/808043294.db2.gz NHNJZDZPEUCCHZ-INMHGKMJSA-N 0 3 292.467 3.358 20 30 CGEDHN CC1(C#N)CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171436923 808057792 /nfs/dbraw/zinc/05/77/92/808057792.db2.gz IMSIXUJZUNKIAT-AWEZNQCLSA-N 0 3 272.367 3.309 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)C[C@H](C)CCC)CC(C)(C)C1 ZINC001264749552 808092406 /nfs/dbraw/zinc/09/24/06/808092406.db2.gz FYZFYGDLQNLUPM-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCN1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC001265201579 808119395 /nfs/dbraw/zinc/11/93/95/808119395.db2.gz SIXHGEBNDCXBLQ-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001265201584 808119641 /nfs/dbraw/zinc/11/96/41/808119641.db2.gz SIXHGEBNDCXBLQ-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C#CCCCCCC(=O)N[C@H]1CCCN(CC=C(C)C)C1 ZINC001265223181 808120554 /nfs/dbraw/zinc/12/05/54/808120554.db2.gz RRCXEWLDAAEZBZ-KRWDZBQOSA-N 0 3 290.451 3.117 20 30 CGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC(CC)CC)C1 ZINC001265708465 808172352 /nfs/dbraw/zinc/17/23/52/808172352.db2.gz OHWXKNVSJRYCTA-NVXWUHKLSA-N 0 3 292.467 3.053 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N(C)Cc1cncs1 ZINC001172310670 808223460 /nfs/dbraw/zinc/22/34/60/808223460.db2.gz HEEHIPJPQAYIDX-LBPRGKRZSA-N 0 3 271.389 3.078 20 30 CGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001266299720 808238710 /nfs/dbraw/zinc/23/87/10/808238710.db2.gz XBDGEAYDAKAPTR-HNNXBMFYSA-N 0 3 290.407 3.139 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001266307552 808239976 /nfs/dbraw/zinc/23/99/76/808239976.db2.gz GHCSHDXSPLDGOS-SFHVURJKSA-N 0 3 298.430 3.221 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCN(CC)Cc1ccccc1 ZINC001266392676 808255778 /nfs/dbraw/zinc/25/57/78/808255778.db2.gz MTTQMENQSMKKDZ-UHFFFAOYSA-N 0 3 288.435 3.227 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(CCC)CCC ZINC001266476728 808272568 /nfs/dbraw/zinc/27/25/68/808272568.db2.gz BODDBIYDCNWQDT-INIZCTEOSA-N 0 3 280.456 3.360 20 30 CGEDHN COc1cccc(F)c1CN[C@@H](C)CCCC#N ZINC001172480023 808343553 /nfs/dbraw/zinc/34/35/53/808343553.db2.gz QDAYAFCFSDGUIU-NSHDSACASA-N 0 3 250.317 3.006 20 30 CGEDHN CCCCCCCC[C@@H](CC)N1CCN(C(N)=O)CC1 ZINC001172505449 808360040 /nfs/dbraw/zinc/36/00/40/808360040.db2.gz NNXPRDXIAYPTIS-OAHLLOKOSA-N 0 3 283.460 3.212 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCCCCCCC)C1 ZINC001267113943 808362058 /nfs/dbraw/zinc/36/20/58/808362058.db2.gz VJAZAMGQGRKCSD-QGZVFWFLSA-N 0 3 292.467 3.293 20 30 CGEDHN N#C[C@@H]1CCCN([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721416 808418953 /nfs/dbraw/zinc/41/89/53/808418953.db2.gz DXADOFDAVGACDR-WBMJQRKESA-N 0 3 274.795 3.433 20 30 CGEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2occc2C)C1 ZINC001267539705 808442321 /nfs/dbraw/zinc/44/23/21/808442321.db2.gz POEMMWCCOQSMML-OAHLLOKOSA-N 0 3 290.407 3.091 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCC[C@H]1CCN(C/C=C/Cl)C1 ZINC001267563419 808448183 /nfs/dbraw/zinc/44/81/83/808448183.db2.gz YQZATWICXAXAFD-ZRJDUIELSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(CC=C)CC=C ZINC001267705783 808473994 /nfs/dbraw/zinc/47/39/94/808473994.db2.gz NQSUEQNNXQQGIB-IRXDYDNUSA-N 0 3 288.435 3.006 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)Cc1cc(C)ccc1C ZINC001268232982 808564616 /nfs/dbraw/zinc/56/46/16/808564616.db2.gz OWNKVFOCBATRHQ-UHFFFAOYSA-N 0 3 288.435 3.160 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001268259867 808571729 /nfs/dbraw/zinc/57/17/29/808571729.db2.gz PPPCEHODMSFILH-UHFFFAOYSA-N 0 3 280.456 3.025 20 30 CGEDHN Cc1nc2ccc(Nc3cnc(C#N)c(C)c3)cc2[nH]1 ZINC001213072168 815220408 /nfs/dbraw/zinc/22/04/08/815220408.db2.gz GCKRPYNWZGLHAH-UHFFFAOYSA-N 0 3 263.304 3.190 20 30 CGEDHN C=CCC1(C(=O)NC/C=C\CNC/C=C\Cl)CCCC1 ZINC001268631524 808602029 /nfs/dbraw/zinc/60/20/29/808602029.db2.gz BKPHGGVSGMFLAL-FUVGTJSASA-N 0 3 296.842 3.137 20 30 CGEDHN C=CCCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001268704342 808611940 /nfs/dbraw/zinc/61/19/40/808611940.db2.gz YUYUKDOXZLBXJI-HNNXBMFYSA-N 0 3 286.419 3.070 20 30 CGEDHN Cc1cccc2c1[C@@H](NC1CCC(CC#N)CC1)C(=O)N2 ZINC001173325790 808612301 /nfs/dbraw/zinc/61/23/01/808612301.db2.gz NRKNJPLZROOZRU-SEEARECTSA-N 0 3 283.375 3.050 20 30 CGEDHN N#CCC1CCC(n2nc(CN)c3ccccc32)CC1 ZINC001173327427 808613715 /nfs/dbraw/zinc/61/37/15/808613715.db2.gz BHJTWIURURGCMF-UHFFFAOYSA-N 0 3 268.364 3.140 20 30 CGEDHN Cc1nc2ccc(Nc3ccc(C#N)cc3O)cc2[nH]1 ZINC001213075268 815223505 /nfs/dbraw/zinc/22/35/05/815223505.db2.gz LWYFCQBRMDENBL-UHFFFAOYSA-N 0 3 264.288 3.192 20 30 CGEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)cc1 ZINC001173929899 808767754 /nfs/dbraw/zinc/76/77/54/808767754.db2.gz LORXVCAXESNMDW-UHFFFAOYSA-N 0 3 251.333 3.363 20 30 CGEDHN COc1ccc(C#N)c(Nc2ccccc2CN(C)C)c1 ZINC001173931900 808771255 /nfs/dbraw/zinc/77/12/55/808771255.db2.gz LUEKXVGMZLTNOD-UHFFFAOYSA-N 0 3 281.359 3.372 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@@H](CC)c1ccccc1 ZINC001272151854 808798969 /nfs/dbraw/zinc/79/89/69/808798969.db2.gz FXBWZBNMKMXIPU-MRXNPFEDSA-N 0 3 288.435 3.147 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC001272158797 808799075 /nfs/dbraw/zinc/79/90/75/808799075.db2.gz VUVIZAMBTIGBQS-OAHLLOKOSA-N 0 3 280.456 3.169 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCCC2CC2)cc1 ZINC001272702030 808821508 /nfs/dbraw/zinc/82/15/08/808821508.db2.gz YHZUFMAIFKKRSI-HNNXBMFYSA-N 0 3 298.430 3.167 20 30 CGEDHN C=CCCCN1CCCC[C@]12CC(=O)N([C@H](C)CC)C2 ZINC001273486904 808847959 /nfs/dbraw/zinc/84/79/59/808847959.db2.gz RJFPVGAKCVNDRN-NVXWUHKLSA-N 0 3 278.440 3.208 20 30 CGEDHN CCCCCCCN1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275131356 808914466 /nfs/dbraw/zinc/91/44/66/808914466.db2.gz PROMJWYGQPTNFJ-HDICACEKSA-N 0 3 294.483 3.284 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001275945990 808979215 /nfs/dbraw/zinc/97/92/15/808979215.db2.gz QCXWZZKCKUEYOV-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001276821698 809035205 /nfs/dbraw/zinc/03/52/05/809035205.db2.gz ILYJBWXYETXIIV-UYSNPLJNSA-N 0 3 280.456 3.193 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cccc(F)c1 ZINC001283122645 809270996 /nfs/dbraw/zinc/27/09/96/809270996.db2.gz GAKDMBOZEUXXEA-GFCCVEGCSA-N 0 3 298.789 3.066 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001297373012 809516123 /nfs/dbraw/zinc/51/61/23/809516123.db2.gz KMUFTAOLNPKVPS-YJBOKZPZSA-N 0 3 294.483 3.415 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(\C)c1cccs1 ZINC001297373581 809516236 /nfs/dbraw/zinc/51/62/36/809516236.db2.gz YNHYTLGTJAHGQL-BUHFOSPRSA-N 0 3 292.448 3.118 20 30 CGEDHN C#CCC[C@H](O)CNCc1ccc(-c2ccc(C)cc2)o1 ZINC001179489326 809925254 /nfs/dbraw/zinc/92/52/54/809925254.db2.gz JQGQJQAVKYROAN-INIZCTEOSA-N 0 3 283.371 3.119 20 30 CGEDHN CC(C#N)C(=O)N(C1=CC(=O)CCC1)[C@H](C)c1ccccc1 ZINC001179895075 809955890 /nfs/dbraw/zinc/95/58/90/809955890.db2.gz IESBOPFNCQWWRK-ZIAGYGMSSA-N 0 3 296.370 3.373 20 30 CGEDHN CCN(C[C@@H](C)C#N)C[C@H]1CCCC12CCOCC2 ZINC001190642783 810641963 /nfs/dbraw/zinc/64/19/63/810641963.db2.gz HRWMNLFPSWJLCI-LSDHHAIUSA-N 0 3 264.413 3.065 20 30 CGEDHN CCCCCCCCNC(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001191068501 810669806 /nfs/dbraw/zinc/66/98/06/810669806.db2.gz PKFADZOUKMJNDV-CVEARBPZSA-N 0 3 295.471 3.083 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001191889507 810754653 /nfs/dbraw/zinc/75/46/53/810754653.db2.gz HBBJQPDAASKZNC-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN CCCCCCCOC(=O)NC[C@H]1CCCCN1C ZINC001194012546 811001563 /nfs/dbraw/zinc/00/15/63/811001563.db2.gz SOQYBYDOOYPLDR-CQSZACIVSA-N 0 3 270.417 3.167 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC001198304725 811491456 /nfs/dbraw/zinc/49/14/56/811491456.db2.gz ZWQGPAJJSVKOIN-QGZVFWFLSA-N 0 3 292.467 3.006 20 30 CGEDHN C=C(CNCc1cncc(OCC)c1)c1ccccc1 ZINC001200142464 811640708 /nfs/dbraw/zinc/64/07/08/811640708.db2.gz YOYCAOYFDUVOEG-UHFFFAOYSA-N 0 3 268.360 3.283 20 30 CGEDHN CCCCCCCN1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001201762928 811963347 /nfs/dbraw/zinc/96/33/47/811963347.db2.gz ZXDNUWBCVFIVIV-MRXNPFEDSA-N 0 3 293.455 3.419 20 30 CGEDHN CCCCCCCN1CCCC[C@H]1C(=O)NCCC ZINC001201787912 811965339 /nfs/dbraw/zinc/96/53/39/811965339.db2.gz PSWXPYBYFBTVNX-HNNXBMFYSA-N 0 3 268.445 3.338 20 30 CGEDHN C#CC[C@H](COC)NCc1ccc(OCCC(C)C)cc1 ZINC001203294164 812298157 /nfs/dbraw/zinc/29/81/57/812298157.db2.gz HKWHYIDQZOWURA-QGZVFWFLSA-N 0 3 289.419 3.239 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(C)(C)CC)C12CCC2 ZINC001203330981 812313144 /nfs/dbraw/zinc/31/31/44/812313144.db2.gz BDCDIYZGMVMMCZ-CHWSQXEVSA-N 0 3 298.858 3.192 20 30 CGEDHN C(#CC1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC001204078403 812544215 /nfs/dbraw/zinc/54/42/15/812544215.db2.gz WMFOSBRSWVIPMM-UHFFFAOYSA-N 0 3 276.383 3.345 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H]3CCCO[C@H]3C2)cc1 ZINC001204297656 812603293 /nfs/dbraw/zinc/60/32/93/812603293.db2.gz MMOWIAIKEKCEGC-AEFFLSMTSA-N 0 3 287.403 3.252 20 30 CGEDHN COCC[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC001205478936 812989977 /nfs/dbraw/zinc/98/99/77/812989977.db2.gz JBFIJEIXDVTSCK-HNNXBMFYSA-N 0 3 276.355 3.088 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C)c(OC)c2)no1 ZINC001206094615 813198647 /nfs/dbraw/zinc/19/86/47/813198647.db2.gz QXSYXEVYTQPRJI-UHFFFAOYSA-N 0 3 299.374 3.163 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(C)c2C)no1 ZINC001206094723 813199565 /nfs/dbraw/zinc/19/95/65/813199565.db2.gz VMJPKYAOOGYRML-UHFFFAOYSA-N 0 3 283.375 3.462 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](CO)c2cc(F)ccc2F)C1 ZINC001207793629 813652606 /nfs/dbraw/zinc/65/26/06/813652606.db2.gz PHQAHSSOGGBAMO-KFNAQCHYSA-N 0 3 281.346 3.333 20 30 CGEDHN C[C@H](CN1CC[C@](CF)(C(F)(F)F)C1)C(F)(F)F ZINC001208896555 813886802 /nfs/dbraw/zinc/88/68/02/813886802.db2.gz WVCYQSGAEAKDQR-HTQZYQBOSA-N 0 3 281.215 3.409 20 30 CGEDHN CCN(CCC#N)CC1CCN(c2ccccc2)CC1 ZINC001208914551 813896660 /nfs/dbraw/zinc/89/66/60/813896660.db2.gz OFINZIMFKWQOHZ-UHFFFAOYSA-N 0 3 271.408 3.139 20 30 CGEDHN CN1CC=C(Nc2cc(Cl)c(Cl)cc2C#N)CC1 ZINC001208979620 813910133 /nfs/dbraw/zinc/91/01/33/813910133.db2.gz LQNPNBMJRDGQCJ-UHFFFAOYSA-N 0 3 282.174 3.496 20 30 CGEDHN Cc1ccc2[nH]cc(CN3CCC4SC(=O)C=C4C3)c2c1 ZINC001209494536 814062115 /nfs/dbraw/zinc/06/21/15/814062115.db2.gz HTVBOYDFANCCSL-INIZCTEOSA-N 0 3 298.411 3.250 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001211399438 814888860 /nfs/dbraw/zinc/88/88/60/814888860.db2.gz PECYADHRISGIDJ-OWCLPIDISA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2ccccc2OC)no1 ZINC001211436327 814892159 /nfs/dbraw/zinc/89/21/59/814892159.db2.gz IODXIJWNFMLLFC-UHFFFAOYSA-N 0 3 299.374 3.244 20 30 CGEDHN CCCCCCC[C@H](C)OC[C@H]1COC(C)(C)N1 ZINC001217842303 815976327 /nfs/dbraw/zinc/97/63/27/815976327.db2.gz ZPWSERFYWHIXNU-KBPBESRZSA-N 0 3 257.418 3.477 20 30 CGEDHN N#Cc1ccc(-c2cccc(O[C@@H]3CCNC[C@@H]3F)c2)cc1 ZINC001218072238 816087632 /nfs/dbraw/zinc/08/76/32/816087632.db2.gz QZJUBMHHWVJFBQ-ZWKOTPCHSA-N 0 3 296.345 3.304 20 30 CGEDHN N#Cc1cc(Cl)cc(O[C@H]2CNCc3ccccc32)c1 ZINC001218484008 816237655 /nfs/dbraw/zinc/23/76/55/816237655.db2.gz DNFCOGNNBLVTES-INIZCTEOSA-N 0 3 284.746 3.435 20 30 CGEDHN Cc1cc(C#N)cc(C)c1O[C@H]1CNCc2ccccc21 ZINC001218485302 816241106 /nfs/dbraw/zinc/24/11/06/816241106.db2.gz GYZPKTGSWBWCAC-KRWDZBQOSA-N 0 3 278.355 3.398 20 30 CGEDHN C=CCCC(=O)N1C[C@H]2CCN([C@@H](C)c3ccccc3)C[C@H]21 ZINC001221424503 816313047 /nfs/dbraw/zinc/31/30/47/816313047.db2.gz GYUDVLCDQWLUQC-CGTJXYLNSA-N 0 3 298.430 3.247 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCC(C)C ZINC001224705578 816860398 /nfs/dbraw/zinc/86/03/98/816860398.db2.gz IYOKPCASPQNKOV-ZIAGYGMSSA-N 0 3 286.847 3.192 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CCC ZINC001225440940 817053809 /nfs/dbraw/zinc/05/38/09/817053809.db2.gz SMDJOVAGEIYLCQ-MRVWCRGKSA-N 0 3 286.847 3.192 20 30 CGEDHN Cc1cc(C#N)cc(Cl)c1O[C@@H]1CCN(C(C)C)C1 ZINC001226596185 817409862 /nfs/dbraw/zinc/40/98/62/817409862.db2.gz WJRRDURZJYOOGN-CYBMUJFWSA-N 0 3 278.783 3.382 20 30 CGEDHN N#Cc1cc(Cl)ccc1OC1CCN(C2CC2)CC1 ZINC001227205794 817591845 /nfs/dbraw/zinc/59/18/45/817591845.db2.gz SHMURIGOHMTIAT-UHFFFAOYSA-N 0 3 276.767 3.217 20 30 CGEDHN CCCc1cc(C)nc(O[C@H]2CCCN(CC)C2)c1C#N ZINC001228600210 817950712 /nfs/dbraw/zinc/95/07/12/817950712.db2.gz ZMWRREAMKGMGLI-HNNXBMFYSA-N 0 3 287.407 3.077 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC2(CC(F)C2)CC1 ZINC001231616844 818137665 /nfs/dbraw/zinc/13/76/65/818137665.db2.gz LUNDUNYUZUWREZ-UHFFFAOYSA-N 0 3 288.366 3.281 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OCCC)C2)c1 ZINC001231623761 818139324 /nfs/dbraw/zinc/13/93/24/818139324.db2.gz UUTLNOTZHPOVGD-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C#Cc1cccc(CN2CCC(C(F)(F)F)CC2)c1 ZINC001231657697 818150609 /nfs/dbraw/zinc/15/06/09/818150609.db2.gz LMFRQGBBMXCKAC-UHFFFAOYSA-N 0 3 267.294 3.442 20 30 CGEDHN COc1cccc2c(CN3CCC[C@H](CC#N)C3)c[nH]c21 ZINC001231899985 818207531 /nfs/dbraw/zinc/20/75/31/818207531.db2.gz AZDXBOWDRGWPFH-CYBMUJFWSA-N 0 3 283.375 3.302 20 30 CGEDHN COc1cccc2[nH]cc(CN3CCC[C@@H](C#N)CC3)c21 ZINC001232036277 818237448 /nfs/dbraw/zinc/23/74/48/818237448.db2.gz DAGBXBSPOUZVOC-CYBMUJFWSA-N 0 3 283.375 3.302 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2cccc(OC)c12 ZINC001232037322 818237613 /nfs/dbraw/zinc/23/76/13/818237613.db2.gz SWKADRLTNKPUCY-UHFFFAOYSA-N 0 3 256.349 3.351 20 30 CGEDHN CN(Cc1[nH]ccc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC001233045708 818508019 /nfs/dbraw/zinc/50/80/19/818508019.db2.gz UMOJYTYQANUPGW-UHFFFAOYSA-N 0 3 269.392 3.287 20 30 CGEDHN Cc1cc(C#N)ccc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001233079690 818519104 /nfs/dbraw/zinc/51/91/04/818519104.db2.gz JJJCVRJTNXSXKB-GASCZTMLSA-N 0 3 276.330 3.344 20 30 CGEDHN CN(C)c1ccc(CN(C)CC(C)(C)C)c(F)c1C#N ZINC001233101262 818521461 /nfs/dbraw/zinc/52/14/61/818521461.db2.gz UWZOPPZHLPYWDW-UHFFFAOYSA-N 0 3 277.387 3.241 20 30 CGEDHN C#C[C@H]1CCC[C@@H]1Oc1c(F)cc(CN(C)C)cc1OC ZINC001234244592 818815132 /nfs/dbraw/zinc/81/51/32/818815132.db2.gz QNWPNGLNWFYMEO-ZFWWWQNUSA-N 0 3 291.366 3.077 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCCCC ZINC001234510158 818870485 /nfs/dbraw/zinc/87/04/85/818870485.db2.gz VJQHFBWZYBPCNW-QGZVFWFLSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN(C)Cc1ccc(Oc2cccnc2)cc1 ZINC001235124039 819012012 /nfs/dbraw/zinc/01/20/12/819012012.db2.gz ZVQZZLIIXHQTAS-UHFFFAOYSA-N 0 3 254.333 3.492 20 30 CGEDHN Cc1ccc(CN2CCN[C@H](c3ccccc3)C2)cc1C#N ZINC001235855144 819186437 /nfs/dbraw/zinc/18/64/37/819186437.db2.gz SKRQGQORIRKFHW-IBGZPJMESA-N 0 3 291.398 3.013 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCNC2=CCCC[C@H]21 ZINC001237225376 819705345 /nfs/dbraw/zinc/70/53/45/819705345.db2.gz NUACWNIAZRQNPK-GOSISDBHSA-N 0 3 298.430 3.483 20 30 CGEDHN N#Cc1cc(CN2CCC3(CC[C@H](F)C3)CC2)ccn1 ZINC001237466725 819757791 /nfs/dbraw/zinc/75/77/91/819757791.db2.gz QLZQGRIOKLHWBD-AWEZNQCLSA-N 0 3 273.355 3.057 20 30 CGEDHN C=CCN(Cc1cc(OC)nc(OC)c1)C1CCCCC1 ZINC001237559316 819778405 /nfs/dbraw/zinc/77/84/05/819778405.db2.gz NICQKTVJYVRAQG-UHFFFAOYSA-N 0 3 290.407 3.420 20 30 CGEDHN C[C@@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)C[C@@H]1C ZINC001237608293 819784995 /nfs/dbraw/zinc/78/49/95/819784995.db2.gz FVHSFOZCRNBYNB-KGLIPLIRSA-N 0 3 282.391 3.074 20 30 CGEDHN C[C@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)C[C@H]1C ZINC001237608298 819785962 /nfs/dbraw/zinc/78/59/62/819785962.db2.gz FVHSFOZCRNBYNB-UONOGXRCSA-N 0 3 282.391 3.074 20 30 CGEDHN CCCN(CCOC)Cc1cc(Cl)cc(C#N)c1 ZINC001237746593 819833818 /nfs/dbraw/zinc/83/38/18/819833818.db2.gz OLXZITNGDYLFSV-UHFFFAOYSA-N 0 3 266.772 3.070 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCC[C@]1(C)O ZINC001238081916 819926948 /nfs/dbraw/zinc/92/69/48/819926948.db2.gz COJJMPSNDFXMTD-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN CSc1ncc(C)cc1CN1CCC(S)CC1 ZINC001238717435 820099777 /nfs/dbraw/zinc/09/97/77/820099777.db2.gz FACTWZVACPMNGG-UHFFFAOYSA-N 0 3 268.451 3.006 20 30 CGEDHN CCCCCCCCOC(=O)NC[C@H]1CCNC[C@@H]1F ZINC001239320703 820267460 /nfs/dbraw/zinc/26/74/60/820267460.db2.gz WNZOLLYWAGZXGE-KGLIPLIRSA-N 0 3 288.407 3.021 20 30 CGEDHN CN1CCc2ccc(-c3cc(F)cc(C#N)c3)cc2C1 ZINC001241661282 822037566 /nfs/dbraw/zinc/03/75/66/822037566.db2.gz WPBLAKOYNWAEEX-UHFFFAOYSA-N 0 3 266.319 3.352 20 30 CGEDHN N#Cc1cncc(-c2cncc(CN3CCCCC3)c2)c1 ZINC001242274501 822933770 /nfs/dbraw/zinc/93/37/70/822933770.db2.gz PLLQKFNCSXMPKC-UHFFFAOYSA-N 0 3 278.359 3.001 20 30 CGEDHN COc1ccc(-c2cccc(OC)c2C#N)cc1CN(C)C ZINC001242301574 822944503 /nfs/dbraw/zinc/94/45/03/822944503.db2.gz RUBVVSFQBGMDEL-UHFFFAOYSA-N 0 3 296.370 3.304 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC001341190167 936430488 /nfs/dbraw/zinc/43/04/88/936430488.db2.gz BHLSAFVONJVKGC-DNHBRAKOSA-N 0 3 298.430 3.374 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(OCC)CC1 ZINC001341994631 936457053 /nfs/dbraw/zinc/45/70/53/936457053.db2.gz KLGLRFATYADNCG-INIZCTEOSA-N 0 3 298.471 3.092 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCC1CCCCCC1 ZINC001342270108 936463985 /nfs/dbraw/zinc/46/39/85/936463985.db2.gz XIROSNXDBGXZJP-CQSZACIVSA-N 0 3 273.380 3.347 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccccc1C ZINC001344325724 936529219 /nfs/dbraw/zinc/52/92/19/936529219.db2.gz HIQRAGFUDYSIHG-HNNXBMFYSA-N 0 3 281.359 3.021 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(C)CCC(C)CC1 ZINC001344322331 936529506 /nfs/dbraw/zinc/52/95/06/936529506.db2.gz MHBLKXMPTOYCBF-UYJPIKCFSA-N 0 3 273.380 3.296 20 30 CGEDHN N#CC(C(=O)C12CC(C1)C2)c1nc2c(cccc2Cl)[nH]1 ZINC001344369184 936532158 /nfs/dbraw/zinc/53/21/58/936532158.db2.gz UKGPZYYUDSJUKB-WWNCPBBQSA-N 0 3 285.734 3.193 20 30 CGEDHN Cc1ccc2[nH]cc(CCNC[C@@H](C#N)CCC#N)c2c1 ZINC001353260895 937061951 /nfs/dbraw/zinc/06/19/51/937061951.db2.gz OSICFFJCOKKZKY-CQSZACIVSA-N 0 3 280.375 3.052 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2sccc2F)C1 ZINC001481688061 927057175 /nfs/dbraw/zinc/05/71/75/927057175.db2.gz GASXQDKIMLJHPJ-RYUDHWBXSA-N 0 3 296.411 3.046 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001481725736 927075205 /nfs/dbraw/zinc/07/52/05/927075205.db2.gz AIKWASDWKLVBBN-KRWDZBQOSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)CCC2(C)CC2)CCCC1 ZINC001481908889 927108317 /nfs/dbraw/zinc/10/83/17/927108317.db2.gz OAZWYSSYLDUPNQ-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C=C(C)CCC(=O)N(CC)CCNCc1cccc(F)c1 ZINC001482926264 927380366 /nfs/dbraw/zinc/38/03/66/927380366.db2.gz LGJCOHVXVXQCID-UHFFFAOYSA-N 0 3 292.398 3.120 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)ccc1NC(C)C ZINC001357366718 937171531 /nfs/dbraw/zinc/17/15/31/937171531.db2.gz IKVDEGZBNCVZDL-ZDUSSCGKSA-N 0 3 293.386 3.268 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001483678883 927569371 /nfs/dbraw/zinc/56/93/71/927569371.db2.gz CYFXMYBDCSKWBZ-MRXNPFEDSA-N 0 3 292.467 3.338 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001484935890 927775351 /nfs/dbraw/zinc/77/53/51/927775351.db2.gz BMISWAZJTVARIP-ZBFHGGJFSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(CC(C)C)CCC1 ZINC001485064478 927794571 /nfs/dbraw/zinc/79/45/71/927794571.db2.gz GTNXHUDBUUPYTL-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(Cl)cc2C#N)C1(C)C ZINC001473482787 937199224 /nfs/dbraw/zinc/19/92/24/937199224.db2.gz CMDYDOBVMHHXMM-VCTAVGKDSA-N 0 3 292.810 3.361 20 30 CGEDHN C#CCCN1CC([C@@H](C)NC(=O)C(C)(C)CCCCC)C1 ZINC001485539425 927884909 /nfs/dbraw/zinc/88/49/09/927884909.db2.gz JSXVWANUFRWSIP-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCCNCc1snc(OC)c1Cl ZINC001474121808 937203037 /nfs/dbraw/zinc/20/30/37/937203037.db2.gz JRAPNEOCUXWERA-UHFFFAOYSA-N 0 3 260.790 3.251 20 30 CGEDHN C#CC(C)(C)N(C)CCOc1ccc(Cl)c(F)c1 ZINC001307678712 927938073 /nfs/dbraw/zinc/93/80/73/927938073.db2.gz FUWBQBHFZBYCMM-UHFFFAOYSA-N 0 3 269.747 3.202 20 30 CGEDHN CO[C@H]1C[C@@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001559846436 937211168 /nfs/dbraw/zinc/21/11/68/937211168.db2.gz VLDKUAPVROEORH-CABCVRRESA-N 0 3 277.795 3.095 20 30 CGEDHN CCCCCCCCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000144365308 928079539 /nfs/dbraw/zinc/07/95/39/928079539.db2.gz CRSRCNYLPQJRFA-OAHLLOKOSA-N 0 3 280.456 3.480 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCN(CC=C(C)C)C1CC1 ZINC001317553820 928277521 /nfs/dbraw/zinc/27/75/21/928277521.db2.gz DNTYLFUYQKCCQW-UHFFFAOYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001488649177 928289193 /nfs/dbraw/zinc/28/91/93/928289193.db2.gz XQDPXVDMOPHVRT-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2C(C)C)CCCCC1 ZINC001488690463 928292745 /nfs/dbraw/zinc/29/27/45/928292745.db2.gz DYTWTHYVPFZQMW-INIZCTEOSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001490570231 928375842 /nfs/dbraw/zinc/37/58/42/928375842.db2.gz KGVOPLAUQCQAQO-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H]2C=CCC2)CC1 ZINC001490610843 928377566 /nfs/dbraw/zinc/37/75/66/928377566.db2.gz YCKSJCZNFLLWBU-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001423673714 937246481 /nfs/dbraw/zinc/24/64/81/937246481.db2.gz NRSXXCHDLWVBGZ-PNESKVBLSA-N 0 3 286.847 3.000 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2c(F)cccc2CC)C1 ZINC001321033911 928499917 /nfs/dbraw/zinc/49/99/17/928499917.db2.gz YZCQJMRSMQXUFY-CQSZACIVSA-N 0 3 263.356 3.165 20 30 CGEDHN C#CCN(CCc1ccccc1Br)C1CC1 ZINC001460118268 937516294 /nfs/dbraw/zinc/51/62/94/937516294.db2.gz JOMQHRRFIVZINZ-UHFFFAOYSA-N 0 3 278.193 3.089 20 30 CGEDHN CC[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccccc1F ZINC001460313535 937526484 /nfs/dbraw/zinc/52/64/84/937526484.db2.gz DXRVKBFOOPQWSV-QZTJIDSGSA-N 0 3 298.361 3.472 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC001140136401 931957039 /nfs/dbraw/zinc/95/70/39/931957039.db2.gz YWXPUSIGYDZCKM-KGLIPLIRSA-N 0 3 258.340 3.319 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(F)cc2C)c1 ZINC001461576552 937586684 /nfs/dbraw/zinc/58/66/84/937586684.db2.gz DJAUJHGIFRIPAV-UHFFFAOYSA-N 0 3 253.320 3.405 20 30 CGEDHN C#CC1(NCc2ccc(SC)c(OC)c2)CCCC1 ZINC001461718186 937593981 /nfs/dbraw/zinc/59/39/81/937593981.db2.gz UIQWJEAJTKXJKT-UHFFFAOYSA-N 0 3 275.417 3.453 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCCc2c(cccc2OC)C1 ZINC001461814534 937598661 /nfs/dbraw/zinc/59/86/61/937598661.db2.gz BYSYCOWXPHNOFC-HUUCEWRRSA-N 0 3 272.392 3.224 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001230588456 932595700 /nfs/dbraw/zinc/59/57/00/932595700.db2.gz PQZUMIWTKYAYKY-OAHLLOKOSA-N 0 3 290.407 3.172 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CC ZINC001230809529 932625676 /nfs/dbraw/zinc/62/56/76/932625676.db2.gz GESMLSCYNXNVMK-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN COc1cccc(C(F)(F)F)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC001254643435 932725139 /nfs/dbraw/zinc/72/51/39/932725139.db2.gz OEFKWPLCHFWUSZ-WDEREUQCSA-N 0 3 298.308 3.496 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1(C)CCC1 ZINC001492165941 932808875 /nfs/dbraw/zinc/80/88/75/932808875.db2.gz DGGCXECYCBIUMR-AWEZNQCLSA-N 0 3 298.858 3.290 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cc(F)cc(OCC)c2)C1 ZINC001462369305 937636331 /nfs/dbraw/zinc/63/63/31/937636331.db2.gz SUYNFXQAKCDMMU-CQSZACIVSA-N 0 3 275.367 3.460 20 30 CGEDHN C=CCCSCCNCc1cc(C(=O)OC)c(CC)o1 ZINC001462414813 937639034 /nfs/dbraw/zinc/63/90/34/937639034.db2.gz BZBSTCJATAPUCF-UHFFFAOYSA-N 0 3 297.420 3.028 20 30 CGEDHN C=C(C)CN(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001307884938 933013093 /nfs/dbraw/zinc/01/30/93/933013093.db2.gz WPPDHYSCCPFFAS-UHFFFAOYSA-N 0 3 255.264 3.016 20 30 CGEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)[C@H]2CCCC[C@H]2C)C1 ZINC001307915895 933020366 /nfs/dbraw/zinc/02/03/66/933020366.db2.gz ZEOQORXKRUTDIP-ZACQAIPSSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ncccn2)CC1 ZINC001308089640 933046830 /nfs/dbraw/zinc/04/68/30/933046830.db2.gz AZJFTLXFUCAITG-CQSZACIVSA-N 0 3 292.386 3.289 20 30 CGEDHN C=C(CNCc1cnn(CC2CCC2)c1)c1ccccc1 ZINC001308248865 933080831 /nfs/dbraw/zinc/08/08/31/933080831.db2.gz RAGWUVLXHMMXKN-UHFFFAOYSA-N 0 3 281.403 3.486 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C=CCC1 ZINC001308503917 933121635 /nfs/dbraw/zinc/12/16/35/933121635.db2.gz WRNAHGAGUFPXEM-CYBMUJFWSA-N 0 3 275.779 3.408 20 30 CGEDHN CC#CCCNCc1cccc(F)c1OCC(F)(F)F ZINC001308655314 933151298 /nfs/dbraw/zinc/15/12/98/933151298.db2.gz FDMPSNLKDHAHOG-UHFFFAOYSA-N 0 3 289.272 3.270 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC001308802361 933178883 /nfs/dbraw/zinc/17/88/83/933178883.db2.gz LUPSDLDDUWFSTD-SFHVURJKSA-N 0 3 295.430 3.389 20 30 CGEDHN Fc1ccc2c(c1)CC[C@H]2NCC#Cc1ccccc1 ZINC001308966674 933216336 /nfs/dbraw/zinc/21/63/36/933216336.db2.gz XVKCCAMALICIEN-GOSISDBHSA-N 0 3 265.331 3.454 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCN(CC=C(C)C)C1CC1 ZINC001317557234 933620060 /nfs/dbraw/zinc/62/00/60/933620060.db2.gz YAGCXAJGMWXANU-KRWDZBQOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCCC ZINC001318195919 933693607 /nfs/dbraw/zinc/69/36/07/933693607.db2.gz LELZTMRMJCJNLX-JYJNAYRXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001469921183 937745512 /nfs/dbraw/zinc/74/55/12/937745512.db2.gz SAYSSIOOEKJZQU-MRXNPFEDSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001323232269 934375192 /nfs/dbraw/zinc/37/51/92/934375192.db2.gz PFZLPMLMFUICBE-RYUDHWBXSA-N 0 3 296.798 3.092 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001323262450 934375777 /nfs/dbraw/zinc/37/57/77/934375777.db2.gz NRLHUGSGINOCRD-CTMQZQKCSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(CCF)C1CCCCCC1 ZINC001323723468 934422086 /nfs/dbraw/zinc/42/20/86/934422086.db2.gz ZNTDVUPWUUDPPX-UHFFFAOYSA-N 0 3 298.446 3.309 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc(F)c3cccnc23)C1 ZINC001323785875 934424907 /nfs/dbraw/zinc/42/49/07/934424907.db2.gz ONSOKERPPFRKCT-AWEZNQCLSA-N 0 3 286.350 3.151 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OC(C)C)C1 ZINC001323786269 934425268 /nfs/dbraw/zinc/42/52/68/934425268.db2.gz UODLWFZGMYFYJD-MRXNPFEDSA-N 0 3 275.392 3.251 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC001324022244 934449382 /nfs/dbraw/zinc/44/93/82/934449382.db2.gz PLPVCVBXWWOYGA-CXAGYDPISA-N 0 3 259.393 3.417 20 30 CGEDHN C=CCCCCCCNCc1c(Cl)nc(OC)n1C ZINC001324403537 934498353 /nfs/dbraw/zinc/49/83/53/934498353.db2.gz LULDKQOBLTVNAR-UHFFFAOYSA-N 0 3 285.819 3.308 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC(C)C ZINC001325923143 934939649 /nfs/dbraw/zinc/93/96/49/934939649.db2.gz VGXGZPZXLXSVLD-CVEARBPZSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cnn(-c2ccccc2)n1 ZINC001473638468 937815329 /nfs/dbraw/zinc/81/53/29/937815329.db2.gz VPSGWOLWHQJMCY-YJBOKZPZSA-N 0 3 296.418 3.492 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)/C=C(/C)C1CC1 ZINC001329278928 935201247 /nfs/dbraw/zinc/20/12/47/935201247.db2.gz TUQCYHCZECVXAE-WQLSENKSSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC[C@@H](C)CC)C(C)(C)C1 ZINC001330242579 935280146 /nfs/dbraw/zinc/28/01/46/935280146.db2.gz MCYAIFCRMVVJNC-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC[C@@H](C)CC)C(C)(C)C1 ZINC001330242584 935280198 /nfs/dbraw/zinc/28/01/98/935280198.db2.gz MCYAIFCRMVVJNC-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)CC(C)(C)C)C(C)C ZINC001332687522 935481335 /nfs/dbraw/zinc/48/13/35/935481335.db2.gz DFFZXLKWOLXAHQ-UHFFFAOYSA-N 0 3 268.445 3.168 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)C(F)F)[C@H]1C ZINC001332163422 935445511 /nfs/dbraw/zinc/44/55/11/935445511.db2.gz ZNYKESPUSGADBI-CHWSQXEVSA-N 0 3 290.398 3.191 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001332523399 935475307 /nfs/dbraw/zinc/47/53/07/935475307.db2.gz QAAPOXYANLWTRG-HUUCEWRRSA-N 0 3 299.374 3.479 20 30 CGEDHN C=CCN(C)CCN(C(=O)C1CCCCCC1)C(C)C ZINC001332693570 935481659 /nfs/dbraw/zinc/48/16/59/935481659.db2.gz ROFITFRVQLNYSY-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)CCN(C(=O)C[C@@H]1CCC[C@@H]1C)C(C)C ZINC001332707291 935483151 /nfs/dbraw/zinc/48/31/51/935483151.db2.gz LKAVVLUSSPQVMG-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1ccoc1Cl)C(C)C ZINC001332699050 935483631 /nfs/dbraw/zinc/48/36/31/935483631.db2.gz KMGXMEPQFBWJQW-UHFFFAOYSA-N 0 3 298.814 3.292 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H]1C=CCCC1)C(C)C ZINC001332710943 935483973 /nfs/dbraw/zinc/48/39/73/935483973.db2.gz NAQOVSCGWBENJN-QGZVFWFLSA-N 0 3 292.467 3.478 20 30 CGEDHN C#CCN1CCC([C@H](C)NC(=O)CCCCC(C)C)CC1 ZINC001333005371 935503838 /nfs/dbraw/zinc/50/38/38/935503838.db2.gz TWHXGXXABQCJBG-INIZCTEOSA-N 0 3 292.467 3.053 20 30 CGEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001336736284 936212229 /nfs/dbraw/zinc/21/22/29/936212229.db2.gz LMPSTGAJNIJCPZ-RCCFBDPRSA-N 0 3 281.403 3.288 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CCC ZINC001337257353 936245745 /nfs/dbraw/zinc/24/57/45/936245745.db2.gz CZWBDASKJHRUTR-GJZGRUSLSA-N 0 3 266.429 3.112 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC001338111486 936305781 /nfs/dbraw/zinc/30/57/81/936305781.db2.gz CIYXFBNNWUPLJK-HIFRSBDPSA-N 0 3 263.381 3.325 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(Cl)c(C)c1Cl ZINC001474129440 937841485 /nfs/dbraw/zinc/84/14/85/937841485.db2.gz GYNUANSPKPFVDV-NSHDSACASA-N 0 3 274.191 3.328 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ccn(CC)n1 ZINC001474178091 937842862 /nfs/dbraw/zinc/84/28/62/937842862.db2.gz MOHXIRSCHIMEEF-MRXNPFEDSA-N 0 3 269.392 3.180 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001480115154 937932571 /nfs/dbraw/zinc/93/25/71/937932571.db2.gz LLQJQUULDQEBNS-HIFRSBDPSA-N 0 3 292.448 3.041 20 30 CGEDHN C=CCN(CC)CCNC(=O)CC1CCC(C)(C)CC1 ZINC001493066587 937946523 /nfs/dbraw/zinc/94/65/23/937946523.db2.gz CTLGDAHRIUKVCO-UHFFFAOYSA-N 0 3 280.456 3.217 20 30 CGEDHN CC#CCNCCN(C)C(=O)[C@H](CC)CC1CCCCC1 ZINC001493716146 937950993 /nfs/dbraw/zinc/95/09/93/937950993.db2.gz BQLTWSYXLBGSLR-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN CC(C)N(C/C=C\Cl)CCCNC(=O)C#CC(C)(C)C ZINC001493858299 937951660 /nfs/dbraw/zinc/95/16/60/937951660.db2.gz CXHVXKDPHWIGSA-POHAHGRESA-N 0 3 298.858 3.005 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CC12CCCC2)c1ccccc1 ZINC001493901660 937951969 /nfs/dbraw/zinc/95/19/69/937951969.db2.gz WQSNSPVEWIPUFV-SJORKVTESA-N 0 3 298.430 3.200 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)C(C)C)C1 ZINC001493968925 937952408 /nfs/dbraw/zinc/95/24/08/937952408.db2.gz MWGSAOGPCLLKBC-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCCCC ZINC001494650548 937955426 /nfs/dbraw/zinc/95/54/26/937955426.db2.gz MSBZAVLBLUUOCK-ZGTFBXRNSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCC(C)(C)C ZINC001494680257 937955658 /nfs/dbraw/zinc/95/56/58/937955658.db2.gz BRKGHRNGRACWBD-PMPSAXMXSA-N 0 3 292.467 3.310 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC1 ZINC001494665657 937955733 /nfs/dbraw/zinc/95/57/33/937955733.db2.gz FKBKPOCNOKSFPM-HOTGVXAUSA-N 0 3 292.467 3.432 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C2(C)CC=CC2)CCCC1 ZINC001495940225 937960627 /nfs/dbraw/zinc/96/06/27/937960627.db2.gz YQLBUVWIVHPPNT-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CC1CC(C)(C)C1 ZINC001497253625 937965377 /nfs/dbraw/zinc/96/53/77/937965377.db2.gz GPCWFHTYSNLJOX-GFCCVEGCSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CC1(CC(=O)N[C@@H](C)CNC/C=C\Cl)CCCCC1 ZINC001498134301 937967921 /nfs/dbraw/zinc/96/79/21/937967921.db2.gz PAVWTZNLESMMSB-YHAOYDPOSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001498238078 937968541 /nfs/dbraw/zinc/96/85/41/937968541.db2.gz DRWZFBKUADTQAZ-ZDUSSCGKSA-N 0 3 294.826 3.243 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc(C2CCC2)c1 ZINC001498425606 937969682 /nfs/dbraw/zinc/96/96/82/937969682.db2.gz PJOOJNYOGXODAQ-CQSZACIVSA-N 0 3 286.419 3.190 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001499056236 937972016 /nfs/dbraw/zinc/97/20/16/937972016.db2.gz IYDRYYYWYJACCC-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001499102207 937972498 /nfs/dbraw/zinc/97/24/98/937972498.db2.gz OWZQPLGSLQPWEM-BRWVUGGUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C(C)(C)CC=C ZINC001499072273 937972628 /nfs/dbraw/zinc/97/26/28/937972628.db2.gz NIWJMLMUVFGVTD-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H](C=C)c1ccccc1 ZINC001499123841 937972821 /nfs/dbraw/zinc/97/28/21/937972821.db2.gz CXWHRIFISHIRSD-WMZOPIPTSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2C[C@H](F)CC ZINC001501391269 937979511 /nfs/dbraw/zinc/97/95/11/937979511.db2.gz POMIEJLOSOPNAU-BZUAXINKSA-N 0 3 296.430 3.156 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001506585331 937990877 /nfs/dbraw/zinc/99/08/77/937990877.db2.gz STXJMMRXQSQWGC-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)C2CCCC2)C1 ZINC001506626292 937991092 /nfs/dbraw/zinc/99/10/92/937991092.db2.gz KOYJIUFRKOICEE-CQSZACIVSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccc(CF)cc1)C(C)C ZINC001507861738 937997168 /nfs/dbraw/zinc/99/71/68/937997168.db2.gz FKSRZNBNWIOORJ-UHFFFAOYSA-N 0 3 292.398 3.125 20 30 CGEDHN CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC001514604101 938002200 /nfs/dbraw/zinc/00/22/00/938002200.db2.gz KYEVJNMXBFURNI-KRWDZBQOSA-N 0 3 299.418 3.202 20 30 CGEDHN N#CC(C(=O)C[C@H]1CC=CCC1)c1nc2ccccc2[nH]1 ZINC001514973840 938004052 /nfs/dbraw/zinc/00/40/52/938004052.db2.gz FKRXAYCGPONCFG-STQMWFEESA-N 0 3 279.343 3.486 20 30 CGEDHN C=CC[C@H]1N(C(=O)[C@H]2CCCN2C(C)C)CCCC1(C)C ZINC001519870376 938021459 /nfs/dbraw/zinc/02/14/59/938021459.db2.gz IYUQQCIUQGVVIJ-HZPDHXFCSA-N 0 3 292.467 3.453 20 30 CGEDHN N#CC(C(=O)CCC(F)F)c1nc2c(cccc2Cl)[nH]1 ZINC001520069943 938022903 /nfs/dbraw/zinc/02/29/03/938022903.db2.gz TYZVQFYSADGXED-SSDOTTSWSA-N 0 3 297.692 3.438 20 30 CGEDHN CCCC[C@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001520449447 938025897 /nfs/dbraw/zinc/02/58/97/938025897.db2.gz PVLWHNVPDXFGRS-GXSJLCMTSA-N 0 3 266.291 3.362 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC001526587637 938056515 /nfs/dbraw/zinc/05/65/15/938056515.db2.gz SKKJYLFPZNWYJI-NSHDSACASA-N 0 3 291.782 3.220 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2snc(OC)c2Cl)CC1 ZINC001560577854 938263691 /nfs/dbraw/zinc/26/36/91/938263691.db2.gz QQVZOQPEIFTPKC-MGCOHNPYSA-N 0 3 284.812 3.087 20 30 CGEDHN N#CCC1CCN(Cc2cncc(C3CC3)c2)CC1 ZINC001238191438 960411354 /nfs/dbraw/zinc/41/13/54/960411354.db2.gz WRHPGTLCVHYOSC-UHFFFAOYSA-N 0 3 255.365 3.085 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCCC[C@H]1C)C(C)C ZINC001571614367 960464598 /nfs/dbraw/zinc/46/45/98/960464598.db2.gz FPODDWGZVYICDD-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CCC(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001567284645 961267283 /nfs/dbraw/zinc/26/72/83/961267283.db2.gz QMDALHAGEHVEJV-AWEZNQCLSA-N 0 3 292.398 3.291 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001567366192 961300622 /nfs/dbraw/zinc/30/06/22/961300622.db2.gz COKAABWEAFBHRJ-HNNXBMFYSA-N 0 3 292.448 3.103 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC1 ZINC001567854262 961444400 /nfs/dbraw/zinc/44/44/00/961444400.db2.gz ZPTMCQPZJDFVCR-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001567937082 961468503 /nfs/dbraw/zinc/46/85/03/961468503.db2.gz CXRGMEXUONJANS-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C/C(C)=C/CC(=O)NC1(CNCC(=C)Cl)CCCC1 ZINC001568004002 961486302 /nfs/dbraw/zinc/48/63/02/961486302.db2.gz KOVZDCTVBZYEEP-NTUHNPAUSA-N 0 3 296.842 3.280 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1C[C@H]1CCC)C1CC1 ZINC001568028189 961490019 /nfs/dbraw/zinc/49/00/19/961490019.db2.gz QWSRAIJNMILYFO-XNRPHZJLSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H](C)C2CC2)CCCC1 ZINC001568246344 961527629 /nfs/dbraw/zinc/52/76/29/961527629.db2.gz GNNLAPIBWBTDJG-GFCCVEGCSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(CCC)CC1)C(C)C ZINC001568462212 961585352 /nfs/dbraw/zinc/58/53/52/961585352.db2.gz HEEKIZQFMWDBMP-ZDUSSCGKSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001569355432 961741316 /nfs/dbraw/zinc/74/13/16/961741316.db2.gz JTUXDPOEJKOLJP-ZIAGYGMSSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C=C)c1ccccc1 ZINC001570547539 961998018 /nfs/dbraw/zinc/99/80/18/961998018.db2.gz FDWQDKDMYPGMDC-ROUUACIJSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001570734072 962061340 /nfs/dbraw/zinc/06/13/40/962061340.db2.gz MGKHCTMWJSSTOC-CHWSQXEVSA-N 0 3 294.826 3.066 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001570902171 962107967 /nfs/dbraw/zinc/10/79/67/962107967.db2.gz MUNPPMHLBBFAHY-CVEARBPZSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C[C@H]1CC=CCC1 ZINC001571296531 962126651 /nfs/dbraw/zinc/12/66/51/962126651.db2.gz APSNYWZLDHNPFN-CABCVRRESA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C=C(CC)CC)C1 ZINC001571655204 962200233 /nfs/dbraw/zinc/20/02/33/962200233.db2.gz CJLWUCUBJAJQSA-UHFFFAOYSA-N 0 3 284.831 3.064 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CCN(C[C@H](F)CC)CC1 ZINC001571645295 962202631 /nfs/dbraw/zinc/20/26/31/962202631.db2.gz ZOTJKVGHPYLKRI-UKRRQHHQSA-N 0 3 298.446 3.163 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCC1(CC(C)C)CCC1 ZINC001574903277 962331365 /nfs/dbraw/zinc/33/13/65/962331365.db2.gz NWROPMPYULSWAC-CQSZACIVSA-N 0 3 266.429 3.003 20 30 CGEDHN CCOC[C@@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC000621293803 349490180 /nfs/dbraw/zinc/49/01/80/349490180.db2.gz HEZCBYIXKDQFPC-MRXNPFEDSA-N 0 3 279.811 3.342 20 30 CGEDHN C=CCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000589880343 346816358 /nfs/dbraw/zinc/81/63/58/346816358.db2.gz ONKRHFUYTRDFJF-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cn3ccsc3n2)C1 ZINC000651690385 398269610 /nfs/dbraw/zinc/26/96/10/398269610.db2.gz CKZKHHNUAYSSIC-VXGBXAGGSA-N 0 3 261.394 3.230 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC3(CC2)OCc2ccccc23)C1 ZINC000590162535 346833296 /nfs/dbraw/zinc/83/32/96/346833296.db2.gz FXTVCEWGHHCPCR-ZBFHGGJFSA-N 0 3 282.387 3.200 20 30 CGEDHN CCOC(=O)c1ccc(CNC2CCC(C)(C#N)CC2)o1 ZINC000590653896 346860190 /nfs/dbraw/zinc/86/01/90/346860190.db2.gz BUTLRTIYAGLCPG-UHFFFAOYSA-N 0 3 290.363 3.018 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cccnc2OCC)C1 ZINC000651750344 398282123 /nfs/dbraw/zinc/28/21/23/398282123.db2.gz DRSVLLSRLJPSDV-HIFRSBDPSA-N 0 3 260.381 3.315 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2csc(COC)n2)C1 ZINC000651813937 398291304 /nfs/dbraw/zinc/29/13/04/398291304.db2.gz DDJCKEGLGPCMCZ-VXGBXAGGSA-N 0 3 266.410 3.124 20 30 CGEDHN C=CCOc1ccccc1CN1CCC([C@H](C)CO)CC1 ZINC000651956475 398312139 /nfs/dbraw/zinc/31/21/39/398312139.db2.gz XYVJDUNVGRNOAX-OAHLLOKOSA-N 0 3 289.419 3.092 20 30 CGEDHN CO[C@@H]1CCN(Cc2ccc(C#N)cc2C)CC1(C)C ZINC000590757655 346872193 /nfs/dbraw/zinc/87/21/93/346872193.db2.gz JVGRZTRDSNLMAX-MRXNPFEDSA-N 0 3 272.392 3.114 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1n[nH]c2ccccc21 ZINC000344681217 529448582 /nfs/dbraw/zinc/44/85/82/529448582.db2.gz AEXMBGWUPAWEDJ-STQMWFEESA-N 0 3 270.380 3.166 20 30 CGEDHN N#CC1(CCN2CCC[C@@H](c3cc[nH]n3)C2)CCCCC1 ZINC000591011593 346894649 /nfs/dbraw/zinc/89/46/49/346894649.db2.gz ZJIQBMHKGABARO-OAHLLOKOSA-N 0 3 286.423 3.453 20 30 CGEDHN CCc1ccc([C@H](CNc2cccnc2C#N)N(C)C)cc1 ZINC000358841174 529723729 /nfs/dbraw/zinc/72/37/29/529723729.db2.gz PDPBRAUALMTHIT-SFHVURJKSA-N 0 3 294.402 3.230 20 30 CGEDHN CCCC[C@H](NCc1ccncc1C#N)C1CCC1 ZINC000592098279 346962403 /nfs/dbraw/zinc/96/24/03/346962403.db2.gz HEZDCESPTWIGEV-INIZCTEOSA-N 0 3 257.381 3.402 20 30 CGEDHN N#Cc1cnccc1CN(CC1CC1)C1CCCCC1 ZINC000592066936 346959100 /nfs/dbraw/zinc/95/91/00/346959100.db2.gz IZFKNFRMQMBNSK-UHFFFAOYSA-N 0 3 269.392 3.498 20 30 CGEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1SC ZINC000592168073 346968656 /nfs/dbraw/zinc/96/86/56/346968656.db2.gz STGKXRAWPCIBGF-SRMUXQRQSA-N 0 3 290.432 3.118 20 30 CGEDHN N#Cc1cnccc1CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000592120663 346964092 /nfs/dbraw/zinc/96/40/92/346964092.db2.gz ZFDGBJHUXLTPKQ-APWZRJJASA-N 0 3 291.398 3.454 20 30 CGEDHN CC[C@H](C)C[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000592398196 346983828 /nfs/dbraw/zinc/98/38/28/346983828.db2.gz RGKNYTJQTDVAFK-OUCADQQQSA-N 0 3 278.371 3.145 20 30 CGEDHN COc1ccc(C2CCN(CCC(C)(C)C#N)CC2)nc1 ZINC000593042054 347032003 /nfs/dbraw/zinc/03/20/03/347032003.db2.gz XAMQUIQZOASQRS-UHFFFAOYSA-N 0 3 287.407 3.209 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC3(CC2)C(F)(F)C3(F)F)C1 ZINC000593055707 347033727 /nfs/dbraw/zinc/03/37/27/347033727.db2.gz ZXFDZPGMIONCRX-ZJUUUORDSA-N 0 3 276.277 3.045 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000046600724 345041703 /nfs/dbraw/zinc/04/17/03/345041703.db2.gz VWRLCWYAMUWAFO-UHFFFAOYSA-N 0 3 276.355 3.088 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000047740177 345055455 /nfs/dbraw/zinc/05/54/55/345055455.db2.gz DQLCULKBMOMZSH-QGZVFWFLSA-N 0 3 272.392 3.339 20 30 CGEDHN CN(Cc1cn2ccccc2c1C#N)CC1CCCC1 ZINC000064020670 345255611 /nfs/dbraw/zinc/25/56/11/345255611.db2.gz GXWSWGUKGOBLDX-UHFFFAOYSA-N 0 3 267.376 3.433 20 30 CGEDHN Cc1ccsc1CN(C)CCOc1ccccc1C#N ZINC000060465066 345216647 /nfs/dbraw/zinc/21/66/47/345216647.db2.gz OMTZOPRJIFRORO-UHFFFAOYSA-N 0 3 286.400 3.439 20 30 CGEDHN Cc1cc([C@@H](C)NCc2ccnc(C#N)c2)c(C)s1 ZINC000068753782 345361505 /nfs/dbraw/zinc/36/15/05/345361505.db2.gz ANWNQJLTKPJSRF-LLVKDONJSA-N 0 3 271.389 3.482 20 30 CGEDHN N#Cc1ccc(CNC2(c3ccccc3)CCOCC2)cc1 ZINC000074319161 345466212 /nfs/dbraw/zinc/46/62/12/345466212.db2.gz CMDOKJXKNPTSJL-UHFFFAOYSA-N 0 3 292.382 3.354 20 30 CGEDHN CC(C)CN(Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000075649369 345517512 /nfs/dbraw/zinc/51/75/12/345517512.db2.gz QVGZROPPKXNSLU-UHFFFAOYSA-N 0 3 298.390 3.475 20 30 CGEDHN C=CCOc1ccc(CNCCc2ccco2)cc1OC ZINC000078372485 345604808 /nfs/dbraw/zinc/60/48/08/345604808.db2.gz UHXPEXHCWFTRRJ-UHFFFAOYSA-N 0 3 287.359 3.185 20 30 CGEDHN C[C@@H]1c2ccc(F)cc2CCN1CCCSCC#N ZINC000080629114 345680913 /nfs/dbraw/zinc/68/09/13/345680913.db2.gz WBGVOMGFQLABSW-GFCCVEGCSA-N 0 3 278.396 3.392 20 30 CGEDHN C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000093303211 345874344 /nfs/dbraw/zinc/87/43/44/345874344.db2.gz WHKLIGBUEQWATF-MRXNPFEDSA-N 0 3 294.398 3.331 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC000106034976 345930065 /nfs/dbraw/zinc/93/00/65/345930065.db2.gz YILKVIPHIICGCC-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN N#Cc1cc(F)ccc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000103142079 345920458 /nfs/dbraw/zinc/92/04/58/345920458.db2.gz UGTAHLVJYHTABM-LRDDRELGSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000111693138 345951073 /nfs/dbraw/zinc/95/10/73/345951073.db2.gz AQZVOSSQFAJSKQ-QLFBSQMISA-N 0 3 278.440 3.062 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2ccsc2)CC1 ZINC000159234662 346167141 /nfs/dbraw/zinc/16/71/41/346167141.db2.gz PMWDKGGDHKUUJY-CYBMUJFWSA-N 0 3 292.448 3.008 20 30 CGEDHN Cc1cccc(O[C@H](C)CNCc2cccc(C#N)c2)c1 ZINC000174571784 346244130 /nfs/dbraw/zinc/24/41/30/346244130.db2.gz YLJAJUWSBWEKMM-OAHLLOKOSA-N 0 3 280.371 3.424 20 30 CGEDHN N#CCCCNCc1cccc(OC2CCCC2)c1 ZINC000273072398 346412624 /nfs/dbraw/zinc/41/26/24/346412624.db2.gz OSLGMOFZRVAQCX-UHFFFAOYSA-N 0 3 258.365 3.401 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000294287057 346432695 /nfs/dbraw/zinc/43/26/95/346432695.db2.gz MPEUWZCFGMXGRF-NWDGAFQWSA-N 0 3 259.324 3.176 20 30 CGEDHN COc1cc(CN2CCC3(CCC3)CC2)ccc1C#N ZINC000308752901 346468107 /nfs/dbraw/zinc/46/81/07/346468107.db2.gz QKFDFZHACKJDAV-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN C=CCOCCCN(C)Cc1ccccc1N1CCCC1 ZINC000347971651 346509870 /nfs/dbraw/zinc/50/98/70/346509870.db2.gz OPGQDHIRJSCRQD-UHFFFAOYSA-N 0 3 288.435 3.311 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000589278948 346791985 /nfs/dbraw/zinc/79/19/85/346791985.db2.gz BYZQKSNRJVCBPE-GOSISDBHSA-N 0 3 284.403 3.396 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000589300233 346793049 /nfs/dbraw/zinc/79/30/49/346793049.db2.gz ILGUGSGZWLKPHN-MSOLQXFVSA-N 0 3 296.414 3.400 20 30 CGEDHN CC[C@H](CC#N)NCCCc1c(F)cccc1F ZINC000594007908 347135771 /nfs/dbraw/zinc/13/57/71/347135771.db2.gz FBETUOCJRJKVCV-LLVKDONJSA-N 0 3 252.308 3.179 20 30 CGEDHN COc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000594495433 347178644 /nfs/dbraw/zinc/17/86/44/347178644.db2.gz SDLOBYZUPUXAKJ-UHFFFAOYSA-N 0 3 295.386 3.181 20 30 CGEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000594515073 347185580 /nfs/dbraw/zinc/18/55/80/347185580.db2.gz DUGCPVMQIHKCNV-ZWNOBZJWSA-N 0 3 264.369 3.071 20 30 CGEDHN N#Cc1csc(CNC2CCC(C3CCC3)CC2)n1 ZINC000594994542 347250834 /nfs/dbraw/zinc/25/08/34/347250834.db2.gz HUOKIJUWYLDHEO-UHFFFAOYSA-N 0 3 275.421 3.463 20 30 CGEDHN N#CCCCCNCc1cccc(OC2CC2)c1F ZINC000594923527 347231114 /nfs/dbraw/zinc/23/11/14/347231114.db2.gz IJOHGSNKACJTDA-UHFFFAOYSA-N 0 3 262.328 3.150 20 30 CGEDHN CC1(C)C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)CO1 ZINC000594954559 347239860 /nfs/dbraw/zinc/23/98/60/347239860.db2.gz NJIBUGFGVPUVEB-LBPRGKRZSA-N 0 3 298.308 3.234 20 30 CGEDHN C=CCCSCCNCc1c[nH]nc1-c1ccccc1 ZINC000594960559 347241345 /nfs/dbraw/zinc/24/13/45/347241345.db2.gz SWRSIYXREMBCEA-UHFFFAOYSA-N 0 3 287.432 3.476 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC000594974867 347246368 /nfs/dbraw/zinc/24/63/68/347246368.db2.gz LAGACQWNTGQMDP-KCQAQPDRSA-N 0 3 258.340 3.223 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCCO[C@@H]2CC2(F)F)cc1 ZINC000594971223 347246542 /nfs/dbraw/zinc/24/65/42/347246542.db2.gz BTJRLVPOAMMINZ-CQSZACIVSA-N 0 3 294.345 3.002 20 30 CGEDHN COCc1csc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000594985774 347249633 /nfs/dbraw/zinc/24/96/33/347249633.db2.gz PDNXTJYQYSZNFS-UHFFFAOYSA-N 0 3 286.400 3.364 20 30 CGEDHN CCCCC[C@@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000595260239 347286380 /nfs/dbraw/zinc/28/63/80/347286380.db2.gz YBSAUXMIAGMBGB-HZPDHXFCSA-N 0 3 293.455 3.359 20 30 CGEDHN CC(C)N(CCO[C@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595297019 347288618 /nfs/dbraw/zinc/28/86/18/347288618.db2.gz OWPDKGIDDHUFHG-HNNXBMFYSA-N 0 3 294.345 3.193 20 30 CGEDHN C[C@@H](COc1c(F)cccc1F)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000595073637 347277281 /nfs/dbraw/zinc/27/72/81/347277281.db2.gz WRZXHTKWWAQIJR-YNEHKIRRSA-N 0 3 294.345 3.404 20 30 CGEDHN N#CC1(CN[C@@H]2CCCC23CCOCC3)CCCCC1 ZINC000595090655 347280629 /nfs/dbraw/zinc/28/06/29/347280629.db2.gz KFIPXOJYYWVQEC-OAHLLOKOSA-N 0 3 276.424 3.399 20 30 CGEDHN COc1cc(CN2CCC[C@@H](CC#N)C2)ccc1C ZINC000595623908 347329522 /nfs/dbraw/zinc/32/95/22/347329522.db2.gz YCYGMBZAYGQEKQ-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN CCC(C)(C)[C@H](C)NCc1cc(C#N)ccc1OC ZINC000595643713 347332366 /nfs/dbraw/zinc/33/23/66/347332366.db2.gz YZGRROLDUKSMFW-LBPRGKRZSA-N 0 3 260.381 3.481 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595659063 347334217 /nfs/dbraw/zinc/33/42/17/347334217.db2.gz JDWAZVLEQDZSSB-ZDUSSCGKSA-N 0 3 290.363 3.392 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)s1 ZINC000595788021 347355924 /nfs/dbraw/zinc/35/59/24/347355924.db2.gz MBRAWZGICRRTRZ-XJKSGUPXSA-N 0 3 290.432 3.401 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)OC)c(F)c1 ZINC000595844482 347367580 /nfs/dbraw/zinc/36/75/80/347367580.db2.gz FTGYMMHTHBPHIQ-OKILXGFUSA-N 0 3 289.350 3.295 20 30 CGEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C(C)(C)C)C2)c1C#N ZINC000596337420 347423295 /nfs/dbraw/zinc/42/32/95/347423295.db2.gz WVPNAOAGYWOCHG-NSHDSACASA-N 0 3 292.814 3.200 20 30 CGEDHN CSc1cc(C)ccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598722880 347682867 /nfs/dbraw/zinc/68/28/67/347682867.db2.gz DNARMFDRMUYKNQ-CQSZACIVSA-N 0 3 292.448 3.107 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2ccsc2)CC1 ZINC000598602786 347670687 /nfs/dbraw/zinc/67/06/87/347670687.db2.gz BQQTXMFDNCPFAI-HNNXBMFYSA-N 0 3 292.448 3.228 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)[C@H]1c1cccs1 ZINC000598618366 347671247 /nfs/dbraw/zinc/67/12/47/347671247.db2.gz WTENBPWGWUSXRK-TZMCWYRMSA-N 0 3 292.448 3.432 20 30 CGEDHN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)ccn1 ZINC000598624849 347672369 /nfs/dbraw/zinc/67/23/69/347672369.db2.gz IVXMVWJRGXIHTL-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCC2(CC2)CC1 ZINC000599673693 347763863 /nfs/dbraw/zinc/76/38/63/347763863.db2.gz WCYAIGGGYDALPB-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN Cc1ccc(CN2CCC(OCC3CC3)CC2)cc1C#N ZINC000599303700 347733769 /nfs/dbraw/zinc/73/37/69/347733769.db2.gz FFMBWSVMICJSMW-UHFFFAOYSA-N 0 3 284.403 3.258 20 30 CGEDHN Cc1ccc(CN(CCCO)Cc2ccccc2)cc1C#N ZINC000599319610 347735092 /nfs/dbraw/zinc/73/50/92/347735092.db2.gz NULWNVIUKIORQQ-UHFFFAOYSA-N 0 3 294.398 3.251 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(Cl)c1 ZINC000599344536 347737740 /nfs/dbraw/zinc/73/77/40/347737740.db2.gz FLTBRSPBUBUXBD-RISCZKNCSA-N 0 3 278.783 3.045 20 30 CGEDHN CCO[C@@H](CN[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599348625 347738062 /nfs/dbraw/zinc/73/80/62/347738062.db2.gz HWQPPLXQRZBZMU-WBMJQRKESA-N 0 3 258.365 3.024 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)cc1Cl ZINC000599355765 347738682 /nfs/dbraw/zinc/73/86/82/347738682.db2.gz GHGZBGGCUGYARZ-PWSUYJOCSA-N 0 3 296.773 3.184 20 30 CGEDHN CC[C@@H](NCc1ccc(C)c(C#N)c1)c1c(C)nn(C)c1C ZINC000599359646 347739423 /nfs/dbraw/zinc/73/94/23/347739423.db2.gz RMBDXNWUYVLYCW-QGZVFWFLSA-N 0 3 296.418 3.458 20 30 CGEDHN Cc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1C#N ZINC000599436375 347745612 /nfs/dbraw/zinc/74/56/12/347745612.db2.gz JOMUTICMDNTEKZ-RTBURBONSA-N 0 3 292.382 3.175 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000599528252 347750494 /nfs/dbraw/zinc/75/04/94/347750494.db2.gz CFOQMVHIANAPBC-ZDUSSCGKSA-N 0 3 290.363 3.392 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000599528250 347750563 /nfs/dbraw/zinc/75/05/63/347750563.db2.gz CFOQMVHIANAPBC-CYBMUJFWSA-N 0 3 290.363 3.392 20 30 CGEDHN C[C@@H]1CN(CCC(C)(C)C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599580892 347756305 /nfs/dbraw/zinc/75/63/05/347756305.db2.gz HFDFXHOFZIBQLO-ZIAGYGMSSA-N 0 3 294.439 3.226 20 30 CGEDHN C/C=C/C[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212822 347794053 /nfs/dbraw/zinc/79/40/53/347794053.db2.gz ICFGXVXTVGKJJX-XYBNCVKDSA-N 0 3 294.402 3.384 20 30 CGEDHN N#CC1(C[C@H](O)CNCc2ccc(-c3ccccc3)o2)CC1 ZINC000600717628 347830038 /nfs/dbraw/zinc/83/00/38/347830038.db2.gz CDRCDJLELLGETP-HNNXBMFYSA-N 0 3 296.370 3.091 20 30 CGEDHN N#CCC[C@H](C#N)CNCC1CCc2ccccc2CC1 ZINC000600603555 347813558 /nfs/dbraw/zinc/81/35/58/347813558.db2.gz MIKOHWSOKIQPRA-MRXNPFEDSA-N 0 3 281.403 3.215 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000600186069 347791078 /nfs/dbraw/zinc/79/10/78/347791078.db2.gz ODEBSEXDQCIEQG-GFCCVEGCSA-N 0 3 277.364 3.027 20 30 CGEDHN C=CCCSCCN[C@@H]1CCCc2ncccc21 ZINC000601284592 347888686 /nfs/dbraw/zinc/88/86/86/347888686.db2.gz KVIXVFPTFFQQDN-OAHLLOKOSA-N 0 3 262.422 3.358 20 30 CGEDHN C[C@@]1(c2ccccc2)CC[C@H](N2CCN(CCC#N)CC2)C1 ZINC000601316374 347891166 /nfs/dbraw/zinc/89/11/66/347891166.db2.gz KNRAEIDYFSIYNP-RBUKOAKNSA-N 0 3 297.446 3.028 20 30 CGEDHN C[C@@H](NC[C@H]1CC(C)(C)CO1)c1cccc(C#N)c1 ZINC000601940427 347927039 /nfs/dbraw/zinc/92/70/39/347927039.db2.gz MZZJVTGEAWYBBW-IUODEOHRSA-N 0 3 258.365 3.024 20 30 CGEDHN CN(C)[C@@H](CNCc1cccc(F)c1C#N)c1ccccc1 ZINC000601994886 347931828 /nfs/dbraw/zinc/93/18/28/347931828.db2.gz CYOKWBAPBCNPND-SFHVURJKSA-N 0 3 297.377 3.090 20 30 CGEDHN CC(C)(CCC#N)CNCc1cccc(F)c1C#N ZINC000602017348 347933527 /nfs/dbraw/zinc/93/35/27/347933527.db2.gz PESPFRSMUDDFDX-UHFFFAOYSA-N 0 3 259.328 3.117 20 30 CGEDHN N#Cc1c(F)cccc1CNCC1CCC(F)CC1 ZINC000602022120 347934006 /nfs/dbraw/zinc/93/40/06/347934006.db2.gz WULDMUZIBLKNKB-UHFFFAOYSA-N 0 3 264.319 3.315 20 30 CGEDHN C=C(CN[C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602528231 347976571 /nfs/dbraw/zinc/97/65/71/347976571.db2.gz NXCMCGMPDXDCNB-MRXNPFEDSA-N 0 3 284.403 3.388 20 30 CGEDHN C[C@H](CNCc1cccc(C#N)n1)C1CCCCC1 ZINC000602531498 347976664 /nfs/dbraw/zinc/97/66/64/347976664.db2.gz WJJGPBQPKMUOLF-CYBMUJFWSA-N 0 3 257.381 3.259 20 30 CGEDHN C[C@@H](CCC#N)CN1CCOc2ccccc2[C@@H]1C ZINC000602446761 347958998 /nfs/dbraw/zinc/95/89/98/347958998.db2.gz AHXBFLLHLDACMH-KBPBESRZSA-N 0 3 258.365 3.382 20 30 CGEDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1cccc(C#N)n1 ZINC000602478105 347966142 /nfs/dbraw/zinc/96/61/42/347966142.db2.gz WJHDLLJCZXDQCB-KSSFIOAISA-N 0 3 277.371 3.331 20 30 CGEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cccc(C#N)n2)C1 ZINC000602485909 347967759 /nfs/dbraw/zinc/96/77/59/347967759.db2.gz RRNWOACYVCEZGF-HUUCEWRRSA-N 0 3 275.421 3.059 20 30 CGEDHN CN(C)CCOc1cccc(NC2CCC(C#N)CC2)c1 ZINC000602491323 347968479 /nfs/dbraw/zinc/96/84/79/347968479.db2.gz KOIGTKGWAWIGNZ-UHFFFAOYSA-N 0 3 287.407 3.121 20 30 CGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1F ZINC000602500283 347970478 /nfs/dbraw/zinc/97/04/78/347970478.db2.gz YGECAFHFOXFKJY-ZDUSSCGKSA-N 0 3 276.355 3.014 20 30 CGEDHN CC[C@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602504314 347971194 /nfs/dbraw/zinc/97/11/94/347971194.db2.gz OXRCYCGVHAEWLK-CQSZACIVSA-N 0 3 265.360 3.237 20 30 CGEDHN CC[C@H](CNCc1cccc(C#N)n1)Oc1ccccc1F ZINC000602566342 347983651 /nfs/dbraw/zinc/98/36/51/347983651.db2.gz HIJUZXFKRJQZIN-OAHLLOKOSA-N 0 3 299.349 3.040 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000602568502 347984433 /nfs/dbraw/zinc/98/44/33/347984433.db2.gz NXIMXCHOKCAXIV-BXUZGUMPSA-N 0 3 297.324 3.412 20 30 CGEDHN C[C@@H](CCC#N)CNCc1csc(-c2ccco2)n1 ZINC000602571612 347985069 /nfs/dbraw/zinc/98/50/69/347985069.db2.gz AJDVJJBCKLUDLG-NSHDSACASA-N 0 3 275.377 3.433 20 30 CGEDHN COC[C@H](NC[C@@H](C)CCC#N)c1ccc(F)c(F)c1 ZINC000602580036 347987152 /nfs/dbraw/zinc/98/71/52/347987152.db2.gz CCKOGLBARWMUNB-NHYWBVRUSA-N 0 3 282.334 3.182 20 30 CGEDHN C[C@H](C1CC1)N(C(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000602582258 347988151 /nfs/dbraw/zinc/98/81/51/347988151.db2.gz QCWUUWQISOKNBP-PBHICJAKSA-N 0 3 299.418 3.229 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000602610143 347993094 /nfs/dbraw/zinc/99/30/94/347993094.db2.gz GIAYBALQXGCRHX-MCIONIFRSA-N 0 3 264.413 3.395 20 30 CGEDHN CC(C)(C#N)CN[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602617727 347994812 /nfs/dbraw/zinc/99/48/12/347994812.db2.gz ZRODAYAVODCLLP-AEFFLSMTSA-N 0 3 297.446 3.494 20 30 CGEDHN C[C@H](CCC#N)CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000602639073 347998492 /nfs/dbraw/zinc/99/84/92/347998492.db2.gz ZHCULPLYMCHFEA-ZIAGYGMSSA-N 0 3 291.370 3.004 20 30 CGEDHN CC(C)N(CC(=O)N1CCCCCC1)C[C@H](C)CCC#N ZINC000602656081 348001997 /nfs/dbraw/zinc/00/19/97/348001997.db2.gz ROGRZGYQLYYONR-MRXNPFEDSA-N 0 3 293.455 3.039 20 30 CGEDHN C[C@H](CCC#N)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000602672927 348005877 /nfs/dbraw/zinc/00/58/77/348005877.db2.gz RXGAGICUHYYULS-UKRRQHHQSA-N 0 3 257.381 3.404 20 30 CGEDHN C=CCC1(NCc2cc(C(=O)OCC)no2)CCCCC1 ZINC000602683112 348008418 /nfs/dbraw/zinc/00/84/18/348008418.db2.gz IJRUMWGGHMHZMH-UHFFFAOYSA-N 0 3 292.379 3.220 20 30 CGEDHN C[C@@H](CCC#N)CNCc1cc(F)ccc1OC(F)F ZINC000602726091 348018640 /nfs/dbraw/zinc/01/86/40/348018640.db2.gz ZLDLWPIISZZPPV-JTQLQIEISA-N 0 3 286.297 3.457 20 30 CGEDHN CO[C@H](C)c1nc(CNC2CCC(C#N)CC2)cs1 ZINC000602563644 347983120 /nfs/dbraw/zinc/98/31/20/347983120.db2.gz FPUZOYYUOYBSQW-VOMCLLRMSA-N 0 3 279.409 3.022 20 30 CGEDHN COCc1cc(C#N)ccc1NC[C@@H]1CCCCN1C1CC1 ZINC000603361853 348074133 /nfs/dbraw/zinc/07/41/33/348074133.db2.gz LNZJETZFZBKHFJ-KRWDZBQOSA-N 0 3 299.418 3.133 20 30 CGEDHN N#CCC1(CN[C@@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000602832525 348034544 /nfs/dbraw/zinc/03/45/44/348034544.db2.gz OPENKDOSXFSWAA-INIZCTEOSA-N 0 3 284.403 3.174 20 30 CGEDHN N#CCC1(CN[C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000602838774 348035773 /nfs/dbraw/zinc/03/57/73/348035773.db2.gz RTQZWTWLDUVCSI-QGZVFWFLSA-N 0 3 296.414 3.364 20 30 CGEDHN Cc1ccncc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907126 348042762 /nfs/dbraw/zinc/04/27/62/348042762.db2.gz LRLYPJRTVPJYQP-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN C=CCN(C(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000603793790 348095856 /nfs/dbraw/zinc/09/58/56/348095856.db2.gz ISSHLUXFMWZRMR-MRXNPFEDSA-N 0 3 286.419 3.470 20 30 CGEDHN C=CCCN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000606898072 348205471 /nfs/dbraw/zinc/20/54/71/348205471.db2.gz DQLTVABMOOKNMB-CYBMUJFWSA-N 0 3 273.298 3.079 20 30 CGEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(OC)c1 ZINC000610345064 348376943 /nfs/dbraw/zinc/37/69/43/348376943.db2.gz RGLXHBSPOPZMHK-CYBMUJFWSA-N 0 3 296.370 3.426 20 30 CGEDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610993345 348414879 /nfs/dbraw/zinc/41/48/79/348414879.db2.gz NOTIHJYOGLWNHR-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN CC[C@@H](Cc1ccccc1)N(C)Cc1ccnc(C#N)c1 ZINC000610993746 348416328 /nfs/dbraw/zinc/41/63/28/348416328.db2.gz GLZSPKLMPFCIPR-SFHVURJKSA-N 0 3 279.387 3.406 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000610681854 348396056 /nfs/dbraw/zinc/39/60/56/348396056.db2.gz HIUZFHBZVRQXEP-SQNIBIBYSA-N 0 3 291.483 3.369 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000611463060 348453492 /nfs/dbraw/zinc/45/34/92/348453492.db2.gz RUGOVIPJAIZFFF-INIZCTEOSA-N 0 3 282.391 3.154 20 30 CGEDHN CC(C)(C)c1ccc(C#N)c(NCCN2CCCCC2)n1 ZINC000613411819 348598292 /nfs/dbraw/zinc/59/82/92/348598292.db2.gz QDGIRWNYUIIKBF-UHFFFAOYSA-N 0 3 286.423 3.149 20 30 CGEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1nc(C(C)(C)C)ccc1C#N ZINC000613429517 348601790 /nfs/dbraw/zinc/60/17/90/348601790.db2.gz MFOLMHMUCNKADS-SWLSCSKDSA-N 0 3 298.434 3.145 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](Cc3ccncc3)C2)c1F ZINC000613180343 348571709 /nfs/dbraw/zinc/57/17/09/348571709.db2.gz WGHWQRNSZSGQCG-OAHLLOKOSA-N 0 3 295.361 3.157 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccccc2C#N)C12CCCC2 ZINC000339500607 215214314 /nfs/dbraw/zinc/21/43/14/215214314.db2.gz QTAUEKFQPXXKFI-IRXDYDNUSA-N 0 3 284.403 3.386 20 30 CGEDHN C[C@H](N[C@@H]1CCS[C@@H]1C)c1ccc(C#N)cc1F ZINC000615136425 348716606 /nfs/dbraw/zinc/71/66/06/348716606.db2.gz WWFKURXNLDTKQC-IMSIIYSGSA-N 0 3 264.369 3.242 20 30 CGEDHN Cc1ccsc1[C@@H](CO)NCc1ccc(C#N)cc1C ZINC000614577920 348683996 /nfs/dbraw/zinc/68/39/96/348683996.db2.gz YITVASJGHKKCJO-OAHLLOKOSA-N 0 3 286.400 3.060 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CCOC2)CC1 ZINC000615444826 348740418 /nfs/dbraw/zinc/74/04/18/348740418.db2.gz BJZNRHISNYETNW-CQSZACIVSA-N 0 3 270.376 3.122 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000617783736 349012478 /nfs/dbraw/zinc/01/24/78/349012478.db2.gz GCHBSLFZMXVFHZ-HOTGVXAUSA-N 0 3 278.440 3.066 20 30 CGEDHN CCC(=O)Nc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000618565217 349106793 /nfs/dbraw/zinc/10/67/93/349106793.db2.gz HPCMMLZAWMYFEO-HIFRSBDPSA-N 0 3 285.391 3.207 20 30 CGEDHN C[C@H](CCC#N)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000618888356 349176441 /nfs/dbraw/zinc/17/64/41/349176441.db2.gz WIPMUWILUKVMAE-SJLPKXTDSA-N 0 3 286.419 3.260 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000625701164 350198358 /nfs/dbraw/zinc/19/83/58/350198358.db2.gz HONAWHGKTCILKD-CQSZACIVSA-N 0 3 260.381 3.105 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000625704235 350200526 /nfs/dbraw/zinc/20/05/26/350200526.db2.gz WTYXUGSKISKDJB-MRXNPFEDSA-N 0 3 281.403 3.329 20 30 CGEDHN C=CCC1(NCc2nnc3n2CCCCC3)CCCCC1 ZINC000625934095 350232573 /nfs/dbraw/zinc/23/25/73/350232573.db2.gz AIHXYNCPDPIXBX-UHFFFAOYSA-N 0 3 288.439 3.373 20 30 CGEDHN C=CCC1(NCc2nnc(C3CCC3)n2C)CCCCC1 ZINC000625934879 350233335 /nfs/dbraw/zinc/23/33/35/350233335.db2.gz DPFFNARTRKLBPJ-UHFFFAOYSA-N 0 3 288.439 3.451 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2c(C3CCC3)cnn2C)C1 ZINC000628406564 350529297 /nfs/dbraw/zinc/52/92/97/350529297.db2.gz MIPFRQTYZBEIHK-CYBMUJFWSA-N 0 3 259.397 3.086 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000628405731 350529682 /nfs/dbraw/zinc/52/96/82/350529682.db2.gz SRIMPXNRLIWVPS-HNNXBMFYSA-N 0 3 271.408 3.080 20 30 CGEDHN C[C@@H]1[C@H](C)SCCN1Cc1ccc(CC#N)cc1 ZINC000343550839 335209108 /nfs/dbraw/zinc/20/91/08/335209108.db2.gz LJTSMXSEEDKCKX-OLZOCXBDSA-N 0 3 260.406 3.078 20 30 CGEDHN C=CCn1cc(-c2cc(CN3CCCC3)ccc2F)cn1 ZINC000629703071 350745274 /nfs/dbraw/zinc/74/52/74/350745274.db2.gz YSHVEYYZMVAJLW-UHFFFAOYSA-N 0 3 285.366 3.471 20 30 CGEDHN C=CCC[C@@H](N[C@H](CCC)CCO)c1ccco1 ZINC000631669083 351113131 /nfs/dbraw/zinc/11/31/31/351113131.db2.gz PADQROMSCDACFJ-ZIAGYGMSSA-N 0 3 251.370 3.428 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](CCC)c1cc(C)ccn1 ZINC000631603514 351087190 /nfs/dbraw/zinc/08/71/90/351087190.db2.gz RJPLFFGWSICZAF-LSDHHAIUSA-N 0 3 262.397 3.005 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](CCC)c1cc(C)ccn1 ZINC000631603513 351087213 /nfs/dbraw/zinc/08/72/13/351087213.db2.gz RJPLFFGWSICZAF-HUUCEWRRSA-N 0 3 262.397 3.005 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2cc(F)ccc2o1 ZINC000634979739 351614819 /nfs/dbraw/zinc/61/48/19/351614819.db2.gz MWPAXFAGVHHHRM-MEDUHNTESA-N 0 3 290.338 3.038 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000291759644 198083258 /nfs/dbraw/zinc/08/32/58/198083258.db2.gz RGCMFXXDRVMXLZ-INIZCTEOSA-N 0 3 295.361 3.066 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000157379298 188314139 /nfs/dbraw/zinc/31/41/39/188314139.db2.gz JQNLUZZOTJGLGY-WMLDXEAASA-N 0 3 282.343 3.161 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccccc1OC(F)F ZINC000271759841 191309912 /nfs/dbraw/zinc/30/99/12/191309912.db2.gz MERQCPCLNLUILM-RYUDHWBXSA-N 0 3 285.334 3.266 20 30 CGEDHN Cc1cccc([C@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000271825658 191350120 /nfs/dbraw/zinc/35/01/20/191350120.db2.gz DBJBZTPCGIGWAY-RDTXWAMCSA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@H](CNc1ncc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000413142959 235254236 /nfs/dbraw/zinc/25/42/36/235254236.db2.gz LBSVQQFMXZTLBJ-CYBMUJFWSA-N 0 3 298.365 3.025 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c1F ZINC000494443624 283206574 /nfs/dbraw/zinc/20/65/74/283206574.db2.gz JCSYWUOCNCHAHG-AEFFLSMTSA-N 0 3 296.345 3.317 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCc3ccccc3OC2)c1F ZINC000338316126 283206589 /nfs/dbraw/zinc/20/65/89/283206589.db2.gz HICOJVABAILCKL-MRXNPFEDSA-N 0 3 296.345 3.181 20 30 CGEDHN N#Cc1cccc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000127322791 138389044 /nfs/dbraw/zinc/38/90/44/138389044.db2.gz ZPZIYZAQFLZPMX-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCC(F)(F)F ZINC000425531497 236257876 /nfs/dbraw/zinc/25/78/76/236257876.db2.gz HOCPVXNWUNOKSU-LLVKDONJSA-N 0 3 286.297 3.130 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCCCC2 ZINC000175847837 188969773 /nfs/dbraw/zinc/96/97/73/188969773.db2.gz URQCLPMYAJSEDX-CVEARBPZSA-N 0 3 288.391 3.369 20 30 CGEDHN CO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)CC1(C)C ZINC000336208792 213030863 /nfs/dbraw/zinc/03/08/63/213030863.db2.gz HYRIAOHQNWCPDY-INIZCTEOSA-N 0 3 272.392 3.114 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3ccncc3)C2)cc1F ZINC000336264854 213102855 /nfs/dbraw/zinc/10/28/55/213102855.db2.gz QUUUHMGGZXOZPQ-KRWDZBQOSA-N 0 3 295.361 3.472 20 30 CGEDHN N#Cc1ccc(CNCCOC2CCCCCC2)s1 ZINC000176972220 189017790 /nfs/dbraw/zinc/01/77/90/189017790.db2.gz ORNCDAXSWKPOCV-UHFFFAOYSA-N 0 3 278.421 3.449 20 30 CGEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1cccc(O)c1 ZINC000181545112 189300308 /nfs/dbraw/zinc/30/03/08/189300308.db2.gz UJONJYQUVKTVTI-AWEZNQCLSA-N 0 3 296.370 3.384 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000181844032 189308151 /nfs/dbraw/zinc/30/81/51/189308151.db2.gz HOPQISNKSYADKJ-WFASDCNBSA-N 0 3 260.381 3.270 20 30 CGEDHN CN(CCNc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000301553597 201064749 /nfs/dbraw/zinc/06/47/49/201064749.db2.gz RNQSCDQKAPCOFT-UHFFFAOYSA-N 0 3 283.350 3.241 20 30 CGEDHN CN1CC[C@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000301820653 201216388 /nfs/dbraw/zinc/21/63/88/201216388.db2.gz BBISFXAHTMAFSL-ROUUACIJSA-N 0 3 277.371 3.416 20 30 CGEDHN N#CCCCCN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120255104 370753608 /nfs/dbraw/zinc/75/36/08/370753608.db2.gz QCMKATMBIPYFQL-OAHLLOKOSA-N 0 3 295.390 3.302 20 30 CGEDHN CC(C)[C@@H]1N(Cc2cc(C#N)cs2)CC12CCOCC2 ZINC000335641721 212357715 /nfs/dbraw/zinc/35/77/15/212357715.db2.gz XQADJCXHCPTTQT-HNNXBMFYSA-N 0 3 290.432 3.257 20 30 CGEDHN C=C(CC)CN(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000358503900 260651100 /nfs/dbraw/zinc/65/11/00/260651100.db2.gz FDFYWEMCUKWGIR-UHFFFAOYSA-N 0 3 274.408 3.177 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000125941783 370942679 /nfs/dbraw/zinc/94/26/79/370942679.db2.gz NPDJMZZQJKRKAF-MRXNPFEDSA-N 0 3 288.435 3.240 20 30 CGEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000034674009 368976171 /nfs/dbraw/zinc/97/61/71/368976171.db2.gz UIISSYIUUJVMSS-UHFFFAOYSA-N 0 3 280.371 3.459 20 30 CGEDHN CCN1CCC[C@@H]1CNc1c(C#N)cnc2ccccc21 ZINC000037413197 369084027 /nfs/dbraw/zinc/08/40/27/369084027.db2.gz JZPUTYCMZIFEFB-CQSZACIVSA-N 0 3 280.375 3.003 20 30 CGEDHN N#CC(C(=O)c1ccsc1)c1nc2ccccc2[nH]1 ZINC000041496319 369188061 /nfs/dbraw/zinc/18/80/61/369188061.db2.gz FSMRYLCYLDHFDJ-SNVBAGLBSA-N 0 3 267.313 3.114 20 30 CGEDHN C=C(C)CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050963757 369445055 /nfs/dbraw/zinc/44/50/55/369445055.db2.gz KODBNUWXTKUPOU-INIZCTEOSA-N 0 3 263.356 3.383 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)C2(C#N)CCC2)c1 ZINC000129209891 370978905 /nfs/dbraw/zinc/97/89/05/370978905.db2.gz STBGBFATSVJHLN-UHFFFAOYSA-N 0 3 285.391 3.161 20 30 CGEDHN Cc1cc(C)cc(OCCCN2CCC(C#N)CC2)c1 ZINC000061040349 369595406 /nfs/dbraw/zinc/59/54/06/369595406.db2.gz AUQKKHUCLBIKBN-UHFFFAOYSA-N 0 3 272.392 3.308 20 30 CGEDHN CCN1CCC[C@@H]1CNc1cc(Cl)ccc1C#N ZINC000062785226 369630390 /nfs/dbraw/zinc/63/03/90/369630390.db2.gz WWCFEWZWGXACNA-CYBMUJFWSA-N 0 3 263.772 3.108 20 30 CGEDHN N#Cc1cccc(C2(NC[C@H](O)C3CCCCC3)CC2)c1 ZINC000276452531 193336776 /nfs/dbraw/zinc/33/67/76/193336776.db2.gz USEILDSWHODOQD-KRWDZBQOSA-N 0 3 284.403 3.078 20 30 CGEDHN N#Cc1cccc(C2(NC[C@@H](O)C3CCCCC3)CC2)c1 ZINC000276452533 193337336 /nfs/dbraw/zinc/33/73/36/193337336.db2.gz USEILDSWHODOQD-QGZVFWFLSA-N 0 3 284.403 3.078 20 30 CGEDHN C=CCC[C@H](NCCCn1cccn1)c1ccco1 ZINC000276477509 193348160 /nfs/dbraw/zinc/34/81/60/193348160.db2.gz RBIKDAHROGVJDB-AWEZNQCLSA-N 0 3 259.353 3.163 20 30 CGEDHN CC(C)N(CC(=O)N(CCC#N)c1ccccc1)C1CCC1 ZINC000077359134 369946275 /nfs/dbraw/zinc/94/62/75/369946275.db2.gz MKBBHKCOQWXJQF-UHFFFAOYSA-N 0 3 299.418 3.196 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1)CC(C)(C)CCC#N ZINC000092568026 370097951 /nfs/dbraw/zinc/09/79/51/370097951.db2.gz RFSYVQMSBLYLHP-UHFFFAOYSA-N 0 3 299.418 3.337 20 30 CGEDHN COc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)o1 ZINC000093102323 370109696 /nfs/dbraw/zinc/10/96/96/370109696.db2.gz LVNLKQNIOHYMPJ-ZDUSSCGKSA-N 0 3 284.359 3.223 20 30 CGEDHN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000093593230 370144177 /nfs/dbraw/zinc/14/41/77/370144177.db2.gz NHEKDYHHYKYDAG-ZDUSSCGKSA-N 0 3 282.343 3.149 20 30 CGEDHN C#CCN(Cc1ccc(NC(C)=O)cc1)C1CCCC1 ZINC000093819764 370161625 /nfs/dbraw/zinc/16/16/25/370161625.db2.gz ZYQNNIJRCAMQIB-UHFFFAOYSA-N 0 3 270.376 3.023 20 30 CGEDHN Cc1cc(CN[C@H]2CCC[C@H]2OC(F)F)ccc1C#N ZINC000337299788 376200713 /nfs/dbraw/zinc/20/07/13/376200713.db2.gz PHOFQAHRBFDVGC-UONOGXRCSA-N 0 3 280.318 3.117 20 30 CGEDHN C[C@@H]1SCCN(CCCC#N)[C@H]1c1ccccc1 ZINC000118422162 370617113 /nfs/dbraw/zinc/61/71/13/370617113.db2.gz LUEXPMIJBCLOBT-DZGCQCFKSA-N 0 3 260.406 3.469 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000130390105 371030377 /nfs/dbraw/zinc/03/03/77/371030377.db2.gz MYIJYMYUAAMKAI-CHWSQXEVSA-N 0 3 258.365 3.045 20 30 CGEDHN C=C[C@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000134319815 371322043 /nfs/dbraw/zinc/32/20/43/371322043.db2.gz XYHILMGRHXMVOI-JTQLQIEISA-N 0 3 267.756 3.165 20 30 CGEDHN COc1ccc(CN(C)[C@H](C)CCSC)cc1C#N ZINC000135195043 371400380 /nfs/dbraw/zinc/40/03/80/371400380.db2.gz YRQNZPOHKTXRPT-GFCCVEGCSA-N 0 3 278.421 3.140 20 30 CGEDHN C#C[C@@H](N[C@@H](C)CC(=O)Nc1ccc(C)cc1C)C(C)C ZINC000289335040 371755339 /nfs/dbraw/zinc/75/53/39/371755339.db2.gz HDMMLXKFMRELQJ-JKSUJKDBSA-N 0 3 286.419 3.268 20 30 CGEDHN CN1CC[C@H](NCC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC000289355220 371755383 /nfs/dbraw/zinc/75/53/83/371755383.db2.gz HVOCYIRTXSAZAO-VQTJNVASSA-N 0 3 290.410 3.073 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000289991789 371872015 /nfs/dbraw/zinc/87/20/15/371872015.db2.gz YMGFEBKADASRHC-WMZOPIPTSA-N 0 3 285.387 3.436 20 30 CGEDHN C=CCOc1ccc(CN(CC)C[C@@H](C)OC)cc1OC ZINC000291129155 372122332 /nfs/dbraw/zinc/12/23/32/372122332.db2.gz WDHWAAHXZBBMLX-CQSZACIVSA-N 0 3 293.407 3.117 20 30 CGEDHN C=C(C)CN1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000291383172 372168312 /nfs/dbraw/zinc/16/83/12/372168312.db2.gz AXECJUOVKAMQLV-KRWDZBQOSA-N 0 3 275.392 3.017 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427983269 372178417 /nfs/dbraw/zinc/17/84/17/372178417.db2.gz DOSJXFBEPKFORU-KGLIPLIRSA-N 0 3 272.392 3.348 20 30 CGEDHN CC[C@@](C)(C(=O)OC)N(CCCC(C)(C)C#N)CC1CC1 ZINC000425518038 372130997 /nfs/dbraw/zinc/13/09/97/372130997.db2.gz XWBAQLHMDYCZCR-KRWDZBQOSA-N 0 3 294.439 3.370 20 30 CGEDHN C=CCN1CC[C@H](N2CC(C)(C)C[C@H]2c2ccccc2)C1=O ZINC000425545255 372131889 /nfs/dbraw/zinc/13/18/89/372131889.db2.gz RUDWEPAHQUUJTN-IRXDYDNUSA-N 0 3 298.430 3.247 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000160138548 372216063 /nfs/dbraw/zinc/21/60/63/372216063.db2.gz NGJGXDQXSDXCRI-ZDUSSCGKSA-N 0 3 285.372 3.314 20 30 CGEDHN CC(C)CCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000429058833 372311432 /nfs/dbraw/zinc/31/14/32/372311432.db2.gz JQQKDRLVSBLZOB-UHFFFAOYSA-N 0 3 285.435 3.112 20 30 CGEDHN CS[C@H](CNCc1ccc(C#N)o1)C(C)(C)C ZINC000344322374 217149707 /nfs/dbraw/zinc/14/97/07/217149707.db2.gz HAPKVZKBFARFHZ-GFCCVEGCSA-N 0 3 252.383 3.019 20 30 CGEDHN C[C@@H]1CC[C@@H](N(CC#Cc2ccc(Cl)cc2)CCO)C1 ZINC000429768516 372377198 /nfs/dbraw/zinc/37/71/98/372377198.db2.gz SREQQACFGPMPEB-RHSMWYFYSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccccc1Cl ZINC000429727475 372377639 /nfs/dbraw/zinc/37/76/39/372377639.db2.gz SXVZCLZXLNWQET-UHFFFAOYSA-N 0 3 266.816 3.280 20 30 CGEDHN CC(C)Cc1ncc(CNCC2(CC#N)CC2)s1 ZINC000430018834 372381204 /nfs/dbraw/zinc/38/12/04/372381204.db2.gz LQOQRRSLYLMDER-UHFFFAOYSA-N 0 3 263.410 3.125 20 30 CGEDHN Cc1nn(C(C)(C)C)c(C)c1CNCC1(CC#N)CC1 ZINC000430042730 372382770 /nfs/dbraw/zinc/38/27/70/372382770.db2.gz YZQHUNWPAOZESS-UHFFFAOYSA-N 0 3 274.412 3.038 20 30 CGEDHN Cc1cccc(-c2n[nH]cc2CNCC2(CC#N)CC2)c1 ZINC000430042544 372383098 /nfs/dbraw/zinc/38/30/98/372383098.db2.gz CPCAIWNCSPZXMR-UHFFFAOYSA-N 0 3 280.375 3.169 20 30 CGEDHN N#CCC1(CNCc2ccccc2OC(F)(F)F)CC1 ZINC000430049589 372383301 /nfs/dbraw/zinc/38/33/01/372383301.db2.gz ZJOOYTOGACLDFX-UHFFFAOYSA-N 0 3 284.281 3.369 20 30 CGEDHN N#CC1CCN(Cc2ccc3c(c2)CCCC3)CC1 ZINC000430243674 372388032 /nfs/dbraw/zinc/38/80/32/372388032.db2.gz LXFUCFQSULYURC-UHFFFAOYSA-N 0 3 254.377 3.301 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)c1ccccc1OC ZINC000430726593 372393571 /nfs/dbraw/zinc/39/35/71/372393571.db2.gz VODOCJABRDIMNZ-AWEZNQCLSA-N 0 3 258.365 3.430 20 30 CGEDHN CCOc1ccccc1[C@H](C)NCC1(CC#N)CC1 ZINC000430754422 372395927 /nfs/dbraw/zinc/39/59/27/372395927.db2.gz NLXDOSXWRSNIAL-ZDUSSCGKSA-N 0 3 258.365 3.430 20 30 CGEDHN Cc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1[N+](=O)[O-] ZINC000430761463 372396424 /nfs/dbraw/zinc/39/64/24/372396424.db2.gz MGAPVOQHXSMSLZ-GFCCVEGCSA-N 0 3 273.336 3.248 20 30 CGEDHN C[C@@H](c1cccc(Cl)c1)N(C)CCOCCC#N ZINC000293665442 372442142 /nfs/dbraw/zinc/44/21/42/372442142.db2.gz ZBFKBWRMSCEQLU-LBPRGKRZSA-N 0 3 266.772 3.263 20 30 CGEDHN C=CCC(C)(C)CNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000432106075 372537273 /nfs/dbraw/zinc/53/72/73/372537273.db2.gz GWXGWPGONPJUMO-LSDHHAIUSA-N 0 3 295.471 3.008 20 30 CGEDHN C#CC[C@@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000293857543 372503243 /nfs/dbraw/zinc/50/32/43/372503243.db2.gz RQKHVUBCEHLTKT-RTBURBONSA-N 0 3 297.373 3.083 20 30 CGEDHN C[C@H](NC[C@H]1CSCCS1)c1cccc(C#N)c1 ZINC000164608172 372525691 /nfs/dbraw/zinc/52/56/91/372525691.db2.gz TYZGBJGNXPVCIY-FZMZJTMJSA-N 0 3 278.446 3.057 20 30 CGEDHN C=CCCCN(C)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432819384 372574182 /nfs/dbraw/zinc/57/41/82/372574182.db2.gz XIVVUSIQGYLVCD-NSHDSACASA-N 0 3 265.353 3.334 20 30 CGEDHN C[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433118994 372581738 /nfs/dbraw/zinc/58/17/38/372581738.db2.gz DQJRSTJFFTYDMU-ZBFHGGJFSA-N 0 3 270.376 3.017 20 30 CGEDHN N#CCCCNC1(c2ccc(Br)cc2)CC1 ZINC000170871831 372673196 /nfs/dbraw/zinc/67/31/96/372673196.db2.gz FCYAWGDHAJIKRA-UHFFFAOYSA-N 0 3 279.181 3.332 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000436295784 372831740 /nfs/dbraw/zinc/83/17/40/372831740.db2.gz HPJINXLPFMIREE-IFIJOSMWSA-N 0 3 288.366 3.329 20 30 CGEDHN CC(C)[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000438343413 372931347 /nfs/dbraw/zinc/93/13/47/372931347.db2.gz XSADXWSTFUPUKK-HNNXBMFYSA-N 0 3 282.391 3.074 20 30 CGEDHN CC(C)[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000438343414 372932026 /nfs/dbraw/zinc/93/20/26/372932026.db2.gz XSADXWSTFUPUKK-OAHLLOKOSA-N 0 3 282.391 3.074 20 30 CGEDHN CCCC(=O)Nc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442704125 373067006 /nfs/dbraw/zinc/06/70/06/373067006.db2.gz BYAGINGBWMQCPR-GOEBONIOSA-N 0 3 285.391 3.207 20 30 CGEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442782095 373079558 /nfs/dbraw/zinc/07/95/58/373079558.db2.gz PLYKFFNHZHODPZ-DZKIICNBSA-N 0 3 299.418 3.453 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCOc2ccccc2Cl)C1 ZINC000442828267 373099483 /nfs/dbraw/zinc/09/94/83/373099483.db2.gz QZIMVZUTNFGJTR-NEPJUHHUSA-N 0 3 264.756 3.001 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OC2CCC2)C1 ZINC000442875383 373114819 /nfs/dbraw/zinc/11/48/19/373114819.db2.gz TUYTWEYTFCFRNW-HIFRSBDPSA-N 0 3 270.376 3.400 20 30 CGEDHN CCN(CC)C(=O)[C@@H]1CCCN1CCCCC(C)(C)C#N ZINC000444583106 373203008 /nfs/dbraw/zinc/20/30/08/373203008.db2.gz MGGRGOQUJYSYHC-HNNXBMFYSA-N 0 3 293.455 3.039 20 30 CGEDHN C=CCCCN1CCC[C@]1(CCC)C(=O)OCC ZINC000444783465 373273977 /nfs/dbraw/zinc/27/39/77/373273977.db2.gz LEANJVZHOGBIRT-OAHLLOKOSA-N 0 3 253.386 3.150 20 30 CGEDHN N#Cc1ccc(CNCC2(c3ccccc3)CCC2)o1 ZINC000174258794 373276632 /nfs/dbraw/zinc/27/66/32/373276632.db2.gz HRGWKKWLYMRGSA-UHFFFAOYSA-N 0 3 266.344 3.363 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000446877831 373374219 /nfs/dbraw/zinc/37/42/19/373374219.db2.gz OVOMNMMUUICREM-MLGOLLRUSA-N 0 3 282.318 3.191 20 30 CGEDHN CC(C)(C)[C@@H]1CN(CCCC(C)(C)C#N)CCO1 ZINC000447828573 373501434 /nfs/dbraw/zinc/50/14/34/373501434.db2.gz DSKHNFGNHIEWEP-ZDUSSCGKSA-N 0 3 252.402 3.063 20 30 CGEDHN C=CCCCN(C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449026387 373656080 /nfs/dbraw/zinc/65/60/80/373656080.db2.gz FOBZILQNXAVMAS-CQSZACIVSA-N 0 3 295.448 3.092 20 30 CGEDHN CC#CCCNCc1cc2ccccc2c(OC)c1 ZINC000449228093 373672697 /nfs/dbraw/zinc/67/26/97/373672697.db2.gz SCIXCVANRXBBLI-UHFFFAOYSA-N 0 3 253.345 3.351 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccc2O1 ZINC000449422812 373693878 /nfs/dbraw/zinc/69/38/78/373693878.db2.gz FTEJLOWBBUPZKA-RGCMKSIDSA-N 0 3 256.349 3.181 20 30 CGEDHN C[C@@]12CN(Cc3ccc(C#N)s3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449454449 373736596 /nfs/dbraw/zinc/73/65/96/373736596.db2.gz ZHXBDETWBYWPMZ-KNPMLCFXSA-N 0 3 270.401 3.264 20 30 CGEDHN C=CC(C)(C)CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000449486460 373776028 /nfs/dbraw/zinc/77/60/28/373776028.db2.gz SJWAJGXCNNATEY-UHFFFAOYSA-N 0 3 299.317 3.319 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000449518398 373817994 /nfs/dbraw/zinc/81/79/94/373817994.db2.gz JKJGLOPWJMAUMQ-OLZOCXBDSA-N 0 3 271.282 3.139 20 30 CGEDHN C=CCOc1cccc(CN2CCCC[C@@H]2COC)c1 ZINC000449756438 373884121 /nfs/dbraw/zinc/88/41/21/373884121.db2.gz BEMQSEDIUOOLFZ-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3)C2)cc1F ZINC000449732555 373857138 /nfs/dbraw/zinc/85/71/38/373857138.db2.gz BTPKBTYIGFFAIZ-INIZCTEOSA-N 0 3 295.361 3.066 20 30 CGEDHN CC(C)(C)OC1CC(NCc2ccc(C#N)c(F)c2)C1 ZINC000449737314 373864734 /nfs/dbraw/zinc/86/47/34/373864734.db2.gz RNZJJHWAQMAEGH-UHFFFAOYSA-N 0 3 276.355 3.133 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](O)C2CCC2)cc1Cl ZINC000449739093 373867251 /nfs/dbraw/zinc/86/72/51/373867251.db2.gz ILLBOBKMHZNKSE-HNNXBMFYSA-N 0 3 295.810 3.155 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](COC)CC1 ZINC000449773515 373902262 /nfs/dbraw/zinc/90/22/62/373902262.db2.gz IOPQPBHIFAPIAS-MRXNPFEDSA-N 0 3 289.419 3.500 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000179775003 373914134 /nfs/dbraw/zinc/91/41/34/373914134.db2.gz QWTJVNYEMHUYNO-LSDHHAIUSA-N 0 3 266.429 3.112 20 30 CGEDHN Cc1sc(NC(=O)CN(C(C)C)C(C)C)c(C#N)c1C ZINC000180455355 374010351 /nfs/dbraw/zinc/01/03/51/374010351.db2.gz LHJZVALZBMHQEV-UHFFFAOYSA-N 0 3 293.436 3.294 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000180458969 374010372 /nfs/dbraw/zinc/01/03/72/374010372.db2.gz KMSZLJLGVOXAPM-NSHDSACASA-N 0 3 266.366 3.165 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(OC)cc1F ZINC000180459169 374011140 /nfs/dbraw/zinc/01/11/40/374011140.db2.gz DYPIODVPOFPUGI-LLVKDONJSA-N 0 3 269.385 3.404 20 30 CGEDHN C#CCSCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181100682 374080916 /nfs/dbraw/zinc/08/09/16/374080916.db2.gz MUXLXCLARXXHTN-AWEZNQCLSA-N 0 3 278.377 3.002 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1ccccc1F ZINC000181025771 374069761 /nfs/dbraw/zinc/06/97/61/374069761.db2.gz MSUDBDUIJUNJMP-HNNXBMFYSA-N 0 3 251.345 3.459 20 30 CGEDHN C=CCN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181149629 374086039 /nfs/dbraw/zinc/08/60/39/374086039.db2.gz DYIFEAXALDIXIN-ZDUSSCGKSA-N 0 3 255.365 3.237 20 30 CGEDHN C=CCN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181149629 374086048 /nfs/dbraw/zinc/08/60/48/374086048.db2.gz DYIFEAXALDIXIN-ZDUSSCGKSA-N 0 3 255.365 3.237 20 30 CGEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCSC2)cc1 ZINC000181214153 374095134 /nfs/dbraw/zinc/09/51/34/374095134.db2.gz GAFBRSXHDCHLPS-ZDUSSCGKSA-N 0 3 285.334 3.152 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000181766293 374167676 /nfs/dbraw/zinc/16/76/76/374167676.db2.gz KAJGNRUWEBYLQE-INIZCTEOSA-N 0 3 299.418 3.175 20 30 CGEDHN N#Cc1cc(F)ccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309595279 374190457 /nfs/dbraw/zinc/19/04/57/374190457.db2.gz WUPHWVCVNYYPBK-QGZVFWFLSA-N 0 3 295.361 3.384 20 30 CGEDHN C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000182471172 374276950 /nfs/dbraw/zinc/27/69/50/374276950.db2.gz JJIBCJAJTUBFMH-XYPHTWIQSA-N 0 3 297.402 3.007 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000182644913 374303872 /nfs/dbraw/zinc/30/38/72/374303872.db2.gz YEHRGVJILPFYFT-AJNGGQMLSA-N 0 3 266.429 3.109 20 30 CGEDHN CN(C)C1(CNC(=O)c2coc(C3CCCC3)n2)CCC1 ZINC000328745532 374378890 /nfs/dbraw/zinc/37/88/90/374378890.db2.gz KXXUQWKGOBMATG-UHFFFAOYSA-N 0 3 291.395 3.121 20 30 CGEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000183784077 374455402 /nfs/dbraw/zinc/45/54/02/374455402.db2.gz KPWLQFCOTJDKHQ-SWLSCSKDSA-N 0 3 297.320 3.214 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2ccccc2)cc1OC ZINC000184264137 374509808 /nfs/dbraw/zinc/50/98/08/374509808.db2.gz TZGMWJIXLFUNLP-GOSISDBHSA-N 0 3 297.398 3.389 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000185875983 374758003 /nfs/dbraw/zinc/75/80/03/374758003.db2.gz HSQZEKWROHOTHT-WBIUFABUSA-N 0 3 296.773 3.184 20 30 CGEDHN Cc1cc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccc2[nH]1 ZINC000334420915 374735721 /nfs/dbraw/zinc/73/57/21/374735721.db2.gz QOWAMLZINRJWKH-SWLSCSKDSA-N 0 3 253.349 3.258 20 30 CGEDHN COc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1C ZINC000185812498 374742435 /nfs/dbraw/zinc/74/24/35/374742435.db2.gz KTGURZIDKCOUCD-HIFRSBDPSA-N 0 3 258.365 3.176 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1oc2ccccc2c1C ZINC000186695851 374900728 /nfs/dbraw/zinc/90/07/28/374900728.db2.gz QNUJMLDFMKJINK-CHWSQXEVSA-N 0 3 259.349 3.329 20 30 CGEDHN Cc1noc([C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000186816133 374922124 /nfs/dbraw/zinc/92/21/24/374922124.db2.gz SJTOOAZKAFJXPJ-BLLLJJGKSA-N 0 3 296.374 3.190 20 30 CGEDHN C=CCC[C@H](O)CN(CC(=C)C)Cc1ccccc1 ZINC000470924904 375001830 /nfs/dbraw/zinc/00/18/30/375001830.db2.gz AZYPFIAWCPXYHB-KRWDZBQOSA-N 0 3 259.393 3.392 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187760273 375089631 /nfs/dbraw/zinc/08/96/31/375089631.db2.gz MSBZYSDJFVKQLK-XJKSGUPXSA-N 0 3 281.346 3.499 20 30 CGEDHN C=CCOc1cccc(CN2CC=C(COC)CC2)c1 ZINC000187619308 375057221 /nfs/dbraw/zinc/05/72/21/375057221.db2.gz CPBPQSAESXTVMN-UHFFFAOYSA-N 0 3 273.376 3.030 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000475640738 375135494 /nfs/dbraw/zinc/13/54/94/375135494.db2.gz IHLPYSGVKWBMRM-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C[C@@H](CO)N(CC#Cc1cccc(Cl)c1)CC1CCC1 ZINC000483164788 375175691 /nfs/dbraw/zinc/17/56/91/375175691.db2.gz AGTBLCWZQUYTBZ-AWEZNQCLSA-N 0 3 291.822 3.174 20 30 CGEDHN COc1ccc(CN2CCCC[C@H](C)C2)cc1C#N ZINC000187916591 375115544 /nfs/dbraw/zinc/11/55/44/375115544.db2.gz VTOPOTHYQUUSTP-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN CCC[C@@H](CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000486065151 375194379 /nfs/dbraw/zinc/19/43/79/375194379.db2.gz SCJUUKLVGDVMHN-JKSUJKDBSA-N 0 3 272.392 3.454 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@H](O)CC(F)(F)F ZINC000188914612 375291996 /nfs/dbraw/zinc/29/19/96/375291996.db2.gz WCDKRDMGWQIZOQ-CQSZACIVSA-N 0 3 287.325 3.030 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1cccs1 ZINC000189590638 375419587 /nfs/dbraw/zinc/41/95/87/375419587.db2.gz PRRCYDXTLOAICM-CYBMUJFWSA-N 0 3 259.378 3.199 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(N(C)C(C)C)nc1 ZINC000191165456 375587985 /nfs/dbraw/zinc/58/79/85/375587985.db2.gz QONMWHRHLAOHSD-UHFFFAOYSA-N 0 3 261.413 3.324 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](c2ccccc2)C2CCCC2)C1=O ZINC000499537915 375632409 /nfs/dbraw/zinc/63/24/09/375632409.db2.gz KQMMDRAYQKCSSO-ZWKOTPCHSA-N 0 3 298.430 3.294 20 30 CGEDHN C=C(C)CCN(CC)Cc1ccc(OC)cc1OC ZINC000509260886 375778032 /nfs/dbraw/zinc/77/80/32/375778032.db2.gz XPWVYJFKVVGKTR-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C[C@@H]1[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCCN1C ZINC000513023625 375801015 /nfs/dbraw/zinc/80/10/15/375801015.db2.gz KIXOFCQECGCKQQ-MFKMUULPSA-N 0 3 297.324 3.472 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-n2ccnn2)cc1 ZINC000193051242 375820901 /nfs/dbraw/zinc/82/09/01/375820901.db2.gz PSLBOCFKERDYMT-DZKIICNBSA-N 0 3 295.390 3.000 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N(CC)CCN1CCCCCC1 ZINC000515419159 375812798 /nfs/dbraw/zinc/81/27/98/375812798.db2.gz VGBXVBDDCHRLBY-MRXNPFEDSA-N 0 3 280.456 3.313 20 30 CGEDHN CC#CCCN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511062948 375790488 /nfs/dbraw/zinc/79/04/88/375790488.db2.gz FZJTVZABILPXKF-UHFFFAOYSA-N 0 3 285.309 3.473 20 30 CGEDHN CC1(C)CN(C[C@H](O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000528508540 375903698 /nfs/dbraw/zinc/90/36/98/375903698.db2.gz ZZLOKQKMZLRPFT-OCCSQVGLSA-N 0 3 290.432 3.186 20 30 CGEDHN COc1cccc([C@@H]2CN(CCCC#N)CC2(C)C)c1 ZINC000528620091 375907717 /nfs/dbraw/zinc/90/77/17/375907717.db2.gz NYDBPDXUEXLUBL-INIZCTEOSA-N 0 3 272.392 3.424 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@@H](c3ccccc3)CC2)C1=O ZINC000337145611 376100487 /nfs/dbraw/zinc/10/04/87/376100487.db2.gz XMNMPLMJKQMYAL-QZTJIDSGSA-N 0 3 298.430 3.043 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2cc(C)ccc2C)C1=O ZINC000337155884 376103697 /nfs/dbraw/zinc/10/36/97/376103697.db2.gz OIIRXYWWRYYEJO-MSOLQXFVSA-N 0 3 298.430 3.227 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](CC(C)C)c2cccs2)C1=O ZINC000337180202 376119996 /nfs/dbraw/zinc/11/99/96/376119996.db2.gz AJXKVUUWDPIJME-UONOGXRCSA-N 0 3 292.448 3.212 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccccc1OC1CCCC1 ZINC000537351928 376164752 /nfs/dbraw/zinc/16/47/52/376164752.db2.gz CEOZPKXGSBGENS-OAHLLOKOSA-N 0 3 289.419 3.282 20 30 CGEDHN C=CCCN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000337274158 376185923 /nfs/dbraw/zinc/18/59/23/376185923.db2.gz POFHHLIICLJTDZ-UHFFFAOYSA-N 0 3 282.790 3.173 20 30 CGEDHN CC[C@@H](NCc1cccc(C(=O)OC)c1C#N)C(C)(C)C ZINC000538392323 376237214 /nfs/dbraw/zinc/23/72/14/376237214.db2.gz QLTNHIHBHCJGFD-OAHLLOKOSA-N 0 3 288.391 3.259 20 30 CGEDHN C=CCSCCN[C@H](CC)c1ccc(F)cn1 ZINC000226616109 376366577 /nfs/dbraw/zinc/36/65/77/376366577.db2.gz FXRIKAJYFZOMBH-GFCCVEGCSA-N 0 3 254.374 3.181 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC000264512421 190115334 /nfs/dbraw/zinc/11/53/34/190115334.db2.gz UEJQQSNWAMOVSO-UHFFFAOYSA-N 0 3 290.798 3.059 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc3ccccc3o2)CC1 ZINC000264512538 190115397 /nfs/dbraw/zinc/11/53/97/190115397.db2.gz UIPNDIZGVPZFKV-UHFFFAOYSA-N 0 3 271.364 3.280 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264524326 190115685 /nfs/dbraw/zinc/11/56/85/190115685.db2.gz YBMVUVKLWWFHLZ-UHFFFAOYSA-N 0 3 275.352 3.047 20 30 CGEDHN C=CCOCCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000555376879 376856348 /nfs/dbraw/zinc/85/63/48/376856348.db2.gz DMMGBCKOBIHQPF-CZUORRHYSA-N 0 3 263.356 3.411 20 30 CGEDHN CC#CCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000555685127 376857962 /nfs/dbraw/zinc/85/79/62/376857962.db2.gz BCGDKWRXDAWLDG-HNNXBMFYSA-N 0 3 263.768 3.207 20 30 CGEDHN COc1ccc(CN2CC[C@@H](C)[C@H](C)C2)cc1C#N ZINC000245844704 376918159 /nfs/dbraw/zinc/91/81/59/376918159.db2.gz BXTHUYLGFWMQOY-CHWSQXEVSA-N 0 3 258.365 3.045 20 30 CGEDHN N#Cc1cccc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000340106081 376919200 /nfs/dbraw/zinc/91/92/00/376919200.db2.gz QPTBQXRDVVEEQN-QGZVFWFLSA-N 0 3 263.344 3.194 20 30 CGEDHN C=CCC[C@H](O)CN1CCc2sccc2[C@@H]1CC ZINC000245987981 376950009 /nfs/dbraw/zinc/95/00/09/376950009.db2.gz FQNLTCNOXGNFDZ-JSGCOSHPSA-N 0 3 265.422 3.384 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1cccc(F)c1 ZINC000246009086 376953314 /nfs/dbraw/zinc/95/33/14/376953314.db2.gz KRNRRHNJENRGBJ-CVEARBPZSA-N 0 3 263.356 3.290 20 30 CGEDHN COc1cc([C@H](C)N[C@H](C)c2cccc(C#N)c2)ccn1 ZINC000340492957 377100363 /nfs/dbraw/zinc/10/03/63/377100363.db2.gz XPWYNDYJIXAYTH-OLZOCXBDSA-N 0 3 281.359 3.374 20 30 CGEDHN C[C@@H](O)CN(Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000340923540 377322464 /nfs/dbraw/zinc/32/24/64/377322464.db2.gz XRMXXDUNIDRJQN-CYBMUJFWSA-N 0 3 290.382 3.213 20 30 CGEDHN CC(C)(CC#N)CNC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000564860849 377480173 /nfs/dbraw/zinc/48/01/73/377480173.db2.gz TXHAMWPGGDPIJY-SFHVURJKSA-N 0 3 296.414 3.273 20 30 CGEDHN C=CCOCCN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000566323764 377495292 /nfs/dbraw/zinc/49/52/92/377495292.db2.gz NUGDHPGFEKMKAV-UHFFFAOYSA-N 0 3 259.393 3.470 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cccc(C3CC3)c2)nc(C)n1 ZINC000566447745 377497446 /nfs/dbraw/zinc/49/74/46/377497446.db2.gz VLSFWJCXXQRMCA-INIZCTEOSA-N 0 3 291.354 3.461 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CCN1C ZINC000090794958 249029718 /nfs/dbraw/zinc/02/97/18/249029718.db2.gz QZQLLSZCUOESOE-MFKMUULPSA-N 0 3 263.772 3.106 20 30 CGEDHN C=CCC[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC000569116455 377527079 /nfs/dbraw/zinc/52/70/79/377527079.db2.gz JKSRDZKHJPYNJN-NVXWUHKLSA-N 0 3 286.419 3.152 20 30 CGEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000298455827 249077347 /nfs/dbraw/zinc/07/73/47/249077347.db2.gz JBZXBFJINKJEFS-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2csc(Cl)c2)nc(C)n1 ZINC000342696074 377740927 /nfs/dbraw/zinc/74/09/27/377740927.db2.gz AEPBRTOMJPREGH-JTQLQIEISA-N 0 3 291.763 3.298 20 30 CGEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000342800290 377803253 /nfs/dbraw/zinc/80/32/53/377803253.db2.gz QXPRSMOOUNAZBN-RDBSUJKOSA-N 0 3 282.391 3.072 20 30 CGEDHN Cc1ccc(CNCCSCc2ccccc2C#N)nc1 ZINC000343065375 377892384 /nfs/dbraw/zinc/89/23/84/377892384.db2.gz KNJUPFXEHRLAHF-UHFFFAOYSA-N 0 3 297.427 3.285 20 30 CGEDHN CC[C@@H](C)N[C@@H](CNc1nccc(C)c1C#N)c1ccco1 ZINC000343269092 377944176 /nfs/dbraw/zinc/94/41/76/377944176.db2.gz HQQPFRQGXSQGGR-HIFRSBDPSA-N 0 3 298.390 3.396 20 30 CGEDHN COc1ccc(CN(C)Cc2ccc(OCC#N)cc2)cc1 ZINC000264175201 377960814 /nfs/dbraw/zinc/96/08/14/377960814.db2.gz WRIMEPVJQAYNNF-UHFFFAOYSA-N 0 3 296.370 3.230 20 30 CGEDHN CCC[C@H]1CN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000343402546 377971910 /nfs/dbraw/zinc/97/19/10/377971910.db2.gz LXBYLIDFMQHBRY-SFHVURJKSA-N 0 3 297.446 3.277 20 30 CGEDHN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000264409232 377983162 /nfs/dbraw/zinc/98/31/62/377983162.db2.gz GESSBSLVKDSMFG-LJQANCHMSA-N 0 3 294.398 3.331 20 30 CGEDHN CCCN(CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343645283 378051361 /nfs/dbraw/zinc/05/13/61/378051361.db2.gz JTXXYOVSJJTYBU-NSHDSACASA-N 0 3 293.798 3.271 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@H](O)C(C)(C)C ZINC000343892285 378126956 /nfs/dbraw/zinc/12/69/56/378126956.db2.gz ZDJMWSBDGDRSFA-AWEZNQCLSA-N 0 3 254.418 3.045 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000268898472 378145552 /nfs/dbraw/zinc/14/55/52/378145552.db2.gz LCRBTTSDIAKRCH-UHFFFAOYSA-N 0 3 288.391 3.066 20 30 CGEDHN CCOCCC1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000269433127 378220683 /nfs/dbraw/zinc/22/06/83/378220683.db2.gz QEKBOQNDJXNXAY-UHFFFAOYSA-N 0 3 290.382 3.384 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000344026187 378155924 /nfs/dbraw/zinc/15/59/24/378155924.db2.gz BKSJRAQZIUFFFV-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C[C@@H](CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1ccccc1 ZINC000579528603 378168503 /nfs/dbraw/zinc/16/85/03/378168503.db2.gz QWVJGKHLTNFKEI-RYQLBKOJSA-N 0 3 298.430 3.041 20 30 CGEDHN CCN(Cc1ccc(C#N)cn1)[C@H](C)Cc1ccsc1 ZINC000580900646 378266871 /nfs/dbraw/zinc/26/68/71/378266871.db2.gz QWUFOGNLTODTHH-CYBMUJFWSA-N 0 3 285.416 3.468 20 30 CGEDHN CCc1cc(N2CCC(C#N)(c3ccccn3)CC2)ccn1 ZINC000582162676 378290177 /nfs/dbraw/zinc/29/01/77/378290177.db2.gz JUIGOLPTFTVZKT-UHFFFAOYSA-N 0 3 292.386 3.101 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@H]2CCCC[C@H]12 ZINC000583880185 378355705 /nfs/dbraw/zinc/35/57/05/378355705.db2.gz PVXMXBOZOLOFRD-XYPHTWIQSA-N 0 3 269.392 3.354 20 30 CGEDHN COc1ccsc1CN1CCC(CCC#N)CC1 ZINC000583935280 378359855 /nfs/dbraw/zinc/35/98/55/378359855.db2.gz BYVAVSPZWQNFIL-UHFFFAOYSA-N 0 3 264.394 3.272 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C(C)(C)C ZINC000271934422 378522015 /nfs/dbraw/zinc/52/20/15/378522015.db2.gz JRNHHJPABGMLKE-IAQYHMDHSA-N 0 3 278.371 3.409 20 30 CGEDHN C=C(Cl)CNC1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000271456848 378492846 /nfs/dbraw/zinc/49/28/46/378492846.db2.gz GWFUCVBJESRJFR-UHFFFAOYSA-N 0 3 290.794 3.161 20 30 CGEDHN COc1cc([C@@H](C)NCCCC#N)ccc1OC(F)F ZINC000271742872 378502660 /nfs/dbraw/zinc/50/26/60/378502660.db2.gz IZUDVVHHGHVTLT-SNVBAGLBSA-N 0 3 284.306 3.251 20 30 CGEDHN CC(C)C[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000271981490 378536282 /nfs/dbraw/zinc/53/62/82/378536282.db2.gz JXZRDJQDYUFSOA-CVEARBPZSA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCN(CCc1ccco1)CCc1scnc1C ZINC000272306441 378609039 /nfs/dbraw/zinc/60/90/39/378609039.db2.gz QTNAEJBVQCSVAR-UHFFFAOYSA-N 0 3 276.405 3.318 20 30 CGEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)NC1(C#N)CCC1 ZINC000346868810 378694975 /nfs/dbraw/zinc/69/49/75/378694975.db2.gz IEYKZDAREWVYQW-INIZCTEOSA-N 0 3 299.418 3.022 20 30 CGEDHN N#CCCCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000346843752 378695202 /nfs/dbraw/zinc/69/52/02/378695202.db2.gz YFFQTCIKODTASD-CYBMUJFWSA-N 0 3 264.756 3.447 20 30 CGEDHN C[C@]1(NCC#Cc2cccc(Cl)c2)CCO[C@@H]1C1CC1 ZINC000273086718 378736461 /nfs/dbraw/zinc/73/64/61/378736461.db2.gz RTVYZXLSIWBMFG-SJORKVTESA-N 0 3 289.806 3.239 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@@H](C)CN2CCCCC2)c1 ZINC000273194060 378737297 /nfs/dbraw/zinc/73/72/97/378737297.db2.gz JRLZVDRZJVVERE-ZDUSSCGKSA-N 0 3 285.391 3.047 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000348036345 378762150 /nfs/dbraw/zinc/76/21/50/378762150.db2.gz AAZJEPHBTIODHW-ZDUSSCGKSA-N 0 3 279.428 3.190 20 30 CGEDHN C=CCOCCCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000348041354 378763359 /nfs/dbraw/zinc/76/33/59/378763359.db2.gz XLIWKPIBDBJZRH-KRWDZBQOSA-N 0 3 299.418 3.303 20 30 CGEDHN C=CCOCCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000348044065 378765142 /nfs/dbraw/zinc/76/51/42/378765142.db2.gz YPVJWCQRHDOATF-VLIAUNLRSA-N 0 3 295.448 3.010 20 30 CGEDHN C=CCOCCCN1CCC[C@@H]1c1ccc(COC)o1 ZINC000348048584 378766818 /nfs/dbraw/zinc/76/68/18/378766818.db2.gz NAVYFQNFLDPTDW-OAHLLOKOSA-N 0 3 279.380 3.156 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000348030854 378759929 /nfs/dbraw/zinc/75/99/29/378759929.db2.gz JGMIBZSWMQEHMP-GFCCVEGCSA-N 0 3 297.370 3.086 20 30 CGEDHN C=CCCCCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000274418252 378830057 /nfs/dbraw/zinc/83/00/57/378830057.db2.gz GIGJMAJFVURXTF-HNNXBMFYSA-N 0 3 295.448 3.103 20 30 CGEDHN CC[C@H]1CCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000348158108 378818033 /nfs/dbraw/zinc/81/80/33/378818033.db2.gz KXSYUEVNGMHVPN-DZGCQCFKSA-N 0 3 296.374 3.277 20 30 CGEDHN C=CCC[C@@H](NC[C@@H](CO)c1cccnc1)c1ccco1 ZINC000348245161 378861441 /nfs/dbraw/zinc/86/14/41/378861441.db2.gz OKSFFLHZWCPEMW-JKSUJKDBSA-N 0 3 286.375 3.048 20 30 CGEDHN COCCCC[C@@H](NCCCC#N)c1ccccc1 ZINC000348330741 378911968 /nfs/dbraw/zinc/91/19/68/378911968.db2.gz PQAZYAMZGAVGLS-MRXNPFEDSA-N 0 3 260.381 3.438 20 30 CGEDHN C=C[C@@H]1CCCCN1[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111900 379035846 /nfs/dbraw/zinc/03/58/46/379035846.db2.gz KQIINMAMSNSBQY-HUUCEWRRSA-N 0 3 274.412 3.467 20 30 CGEDHN C=CC[C@H]1N(Cc2cnn(CCOC)c2)CCCC1(C)C ZINC000278745423 194135521 /nfs/dbraw/zinc/13/55/21/194135521.db2.gz ROIMLGRMNYOKTF-MRXNPFEDSA-N 0 3 291.439 3.096 20 30 CGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCCCCO ZINC000278781311 194152990 /nfs/dbraw/zinc/15/29/90/194152990.db2.gz DCYNBCFUWVNGAE-UHFFFAOYSA-N 0 3 299.336 3.151 20 30 CGEDHN C[C@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1 ZINC000266471984 190260013 /nfs/dbraw/zinc/26/00/13/190260013.db2.gz OFGIEBYIBDFCOA-MNOVXSKESA-N 0 3 286.297 3.176 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000349311802 379224595 /nfs/dbraw/zinc/22/45/95/379224595.db2.gz KLDPIKVIYGJRTB-UHIISALHSA-N 0 3 276.767 3.445 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(C)o1)C1CCC1 ZINC000349775153 379376677 /nfs/dbraw/zinc/37/66/77/379376677.db2.gz KBILVQKPMXAXKA-CJNGLKHVSA-N 0 3 263.381 3.203 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCSC1 ZINC000278406855 379377297 /nfs/dbraw/zinc/37/72/97/379377297.db2.gz GQADWXJEAHFJNI-AWEZNQCLSA-N 0 3 263.381 3.014 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccco3)C2)cc1 ZINC000374007740 379362025 /nfs/dbraw/zinc/36/20/25/379362025.db2.gz KJQUXOWZEUPADC-HNNXBMFYSA-N 0 3 252.317 3.141 20 30 CGEDHN CC[C@@H](C)[C@@H](C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000347619033 218293620 /nfs/dbraw/zinc/29/36/20/218293620.db2.gz WJHIZMCGNBDLCW-VXGBXAGGSA-N 0 3 284.363 3.132 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000349830724 379409172 /nfs/dbraw/zinc/40/91/72/379409172.db2.gz RABGZULKWZIJCA-PWSUYJOCSA-N 0 3 284.281 3.367 20 30 CGEDHN C=C(C)CN(CCc1cnccn1)Cc1ccccc1 ZINC000639619180 379509887 /nfs/dbraw/zinc/50/98/87/379509887.db2.gz YXGNHFDSIOVTMU-UHFFFAOYSA-N 0 3 267.376 3.097 20 30 CGEDHN CCN1[C@H](C)CN(CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000639742590 379564388 /nfs/dbraw/zinc/56/43/88/379564388.db2.gz QCANPURUSSELED-GASCZTMLSA-N 0 3 290.838 3.106 20 30 CGEDHN CCN(CCC#N)C(=O)CN1CCCC[C@H]1CCC(C)C ZINC000351680363 379737479 /nfs/dbraw/zinc/73/74/79/379737479.db2.gz QQEWPFXNAMNNFT-INIZCTEOSA-N 0 3 293.455 3.039 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)s1 ZINC000377836194 379748625 /nfs/dbraw/zinc/74/86/25/379748625.db2.gz ZPHYWYFJVBUQGJ-KBPBESRZSA-N 0 3 290.432 3.258 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000280724477 379772521 /nfs/dbraw/zinc/77/25/21/379772521.db2.gz GAXUGRHTRSSXML-MKBNYLNASA-N 0 3 279.355 3.163 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000280751523 379781047 /nfs/dbraw/zinc/78/10/47/379781047.db2.gz XWCAWBBEMULVLX-SHFYGJNESA-N 0 3 275.392 3.474 20 30 CGEDHN C=C(C)CCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640568144 379823263 /nfs/dbraw/zinc/82/32/63/379823263.db2.gz PXFHGAFLSJHXTG-ZIAGYGMSSA-N 0 3 287.325 3.077 20 30 CGEDHN CN(C)C1(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000397991456 379927420 /nfs/dbraw/zinc/92/74/20/379927420.db2.gz OLVGLELEYBFLQQ-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN CC(C)C[C@H]1COCCN1CCCCC(C)(C)C#N ZINC000409446035 380033298 /nfs/dbraw/zinc/03/32/98/380033298.db2.gz OUPQXXWXJMUVJH-HNNXBMFYSA-N 0 3 266.429 3.453 20 30 CGEDHN CC(C)C[C@@H]1COCCN1CCCCC(C)(C)C#N ZINC000409446036 380034022 /nfs/dbraw/zinc/03/40/22/380034022.db2.gz OUPQXXWXJMUVJH-OAHLLOKOSA-N 0 3 266.429 3.453 20 30 CGEDHN C[C@@H](CCc1ccccc1)NCc1nc(C#N)cs1 ZINC000352843664 379998615 /nfs/dbraw/zinc/99/86/15/379998615.db2.gz BNMTWRKKZLYTKW-LBPRGKRZSA-N 0 3 271.389 3.126 20 30 CGEDHN Cc1[nH]c2ccccc2c1CCNCc1nc(C#N)cs1 ZINC000352853788 380006362 /nfs/dbraw/zinc/00/63/62/380006362.db2.gz OPWKNDRRUNMUDG-UHFFFAOYSA-N 0 3 296.399 3.137 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](CC)c1ccccc1F ZINC000353000257 380070036 /nfs/dbraw/zinc/07/00/36/380070036.db2.gz QZJCFANEBUPKQU-IUODEOHRSA-N 0 3 251.345 3.051 20 30 CGEDHN C[C@@H](CCC#N)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000411237085 380136266 /nfs/dbraw/zinc/13/62/66/380136266.db2.gz MSMYMUUAFRZTTL-INIZCTEOSA-N 0 3 285.435 3.275 20 30 CGEDHN N#CC1(CCN2CCc3ccccc3[C@H]2CO)CCCCC1 ZINC000411392496 380141906 /nfs/dbraw/zinc/14/19/06/380141906.db2.gz PYYZRENFODLDEF-GOSISDBHSA-N 0 3 298.430 3.442 20 30 CGEDHN CCOc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1OC ZINC000411445132 380146834 /nfs/dbraw/zinc/14/68/34/380146834.db2.gz GIYGPKXJKWFAFF-CHWSQXEVSA-N 0 3 276.380 3.437 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2cccc(O)c2)CC1 ZINC000411158036 380131078 /nfs/dbraw/zinc/13/10/78/380131078.db2.gz NSNJNDLRKPOISU-OAHLLOKOSA-N 0 3 274.408 3.259 20 30 CGEDHN COc1cc(CNCc2ccc(F)cc2C)ccc1C#N ZINC000353254192 380190786 /nfs/dbraw/zinc/19/07/86/380190786.db2.gz VHSXKZRODVZDKU-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN CC(=O)Nc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000414163640 380195430 /nfs/dbraw/zinc/19/54/30/380195430.db2.gz IXIGYUUMNUDAOB-GFCCVEGCSA-N 0 3 273.380 3.235 20 30 CGEDHN Cc1ccsc1[C@H](CO)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353267203 380197472 /nfs/dbraw/zinc/19/74/72/380197472.db2.gz PENNSKWAQQIZLQ-HOTGVXAUSA-N 0 3 298.411 3.239 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2n[nH]cc2c1 ZINC000353167527 380151680 /nfs/dbraw/zinc/15/16/80/380151680.db2.gz GANUIBZKTITHOC-LLVKDONJSA-N 0 3 294.333 3.424 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000411558954 380151882 /nfs/dbraw/zinc/15/18/82/380151882.db2.gz MSUFDCHEXMSMKE-WMLDXEAASA-N 0 3 270.376 3.200 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1nnc(C2CC2)s1 ZINC000414335187 380214973 /nfs/dbraw/zinc/21/49/73/380214973.db2.gz YASXIJHDEATLLM-ZJUUUORDSA-N 0 3 251.399 3.106 20 30 CGEDHN N#CCCC[C@@H](NCc1cncnc1)c1ccccc1 ZINC000353918590 380233276 /nfs/dbraw/zinc/23/32/76/380233276.db2.gz YXSWMYBKTSZIRO-MRXNPFEDSA-N 0 3 266.348 3.001 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](CC)[C@H](O)C(C)C ZINC000414526691 380299989 /nfs/dbraw/zinc/29/99/89/380299989.db2.gz LQXFNAIAFQLFCM-NVXWUHKLSA-N 0 3 277.408 3.137 20 30 CGEDHN C=CCOCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000644543643 380443643 /nfs/dbraw/zinc/44/36/43/380443643.db2.gz ZHOWBBLTPZJNEY-YOEHRIQHSA-N 0 3 293.382 3.086 20 30 CGEDHN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)[C@@H]2CCC[C@@H]21 ZINC000354581527 380493790 /nfs/dbraw/zinc/49/37/90/380493790.db2.gz QAHLYMVSXDKENM-JKSUJKDBSA-N 0 3 294.402 3.216 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)CC(C)C ZINC000417364396 380609889 /nfs/dbraw/zinc/60/98/89/380609889.db2.gz LVOOSDKXVNQNMQ-JSGCOSHPSA-N 0 3 278.371 3.409 20 30 CGEDHN C=C(C)CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646079828 380823494 /nfs/dbraw/zinc/82/34/94/380823494.db2.gz RZTCHYUWILBKGW-MRXNPFEDSA-N 0 3 257.377 3.222 20 30 CGEDHN C=C(C)CCN[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000419241985 380786730 /nfs/dbraw/zinc/78/67/30/380786730.db2.gz QTDRSRLEZNVHOZ-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CCN(CCOCC1CCC1)CCc1ccco1 ZINC000419244491 380787521 /nfs/dbraw/zinc/78/75/21/380787521.db2.gz KMNZCTBEBGGTKU-UHFFFAOYSA-N 0 3 263.381 3.127 20 30 CGEDHN CCN(Cc1nc(C#N)cs1)[C@@H]1CCCC[C@H]1C ZINC000419248261 380788697 /nfs/dbraw/zinc/78/86/97/380788697.db2.gz CNCVHEPSPOOFNB-DGCLKSJQSA-N 0 3 263.410 3.415 20 30 CGEDHN CC[C@@H]1CCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279205716 194332050 /nfs/dbraw/zinc/33/20/50/194332050.db2.gz GNIPZHVMFOFVHW-UKRRQHHQSA-N 0 3 296.374 3.277 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC000421339424 380882346 /nfs/dbraw/zinc/88/23/46/380882346.db2.gz GCBMXJSMNAJXGC-JTQLQIEISA-N 0 3 287.338 3.196 20 30 CGEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCCC2)cc1F ZINC000421388455 380933687 /nfs/dbraw/zinc/93/36/87/380933687.db2.gz VVJJOLYLHOVYOG-INIZCTEOSA-N 0 3 290.382 3.118 20 30 CGEDHN N#Cc1ccc2ncc(CN3CC[C@H](C4CCCC4)C3)n2c1 ZINC000421395765 380944837 /nfs/dbraw/zinc/94/48/37/380944837.db2.gz VJHNFEPSHKIJBT-INIZCTEOSA-N 0 3 294.402 3.218 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000357788077 381282955 /nfs/dbraw/zinc/28/29/55/381282955.db2.gz IRACKPJKQBKLPY-STQMWFEESA-N 0 3 258.365 3.019 20 30 CGEDHN CC(C#N)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000357824736 381283550 /nfs/dbraw/zinc/28/35/50/381283550.db2.gz JNQBDIIHFCFLGP-CQSZACIVSA-N 0 3 278.355 3.094 20 30 CGEDHN Cc1cccc(C2(CNC(=O)C(C)C#N)CCCC2)c1 ZINC000357895204 381285131 /nfs/dbraw/zinc/28/51/31/381285131.db2.gz YYTZUXBURLHCRY-AWEZNQCLSA-N 0 3 270.376 3.083 20 30 CGEDHN C=C(CC)CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000358737972 381325325 /nfs/dbraw/zinc/32/53/25/381325325.db2.gz QOJFEFLCGYRJMG-INIZCTEOSA-N 0 3 290.451 3.067 20 30 CGEDHN CC(C)[C@@H](CNc1ncc(C#N)cc1Cl)N1CCCC1 ZINC000358874026 381329062 /nfs/dbraw/zinc/32/90/62/381329062.db2.gz VQAPTCYXBYFXAG-CQSZACIVSA-N 0 3 292.814 3.139 20 30 CGEDHN Cc1ccccc1[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000361579408 381815258 /nfs/dbraw/zinc/81/52/58/381815258.db2.gz RXNXOUSOZBWXAE-INIZCTEOSA-N 0 3 279.387 3.195 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)[C@@H]1CC[C@H](C)C1 ZINC000361639413 381848660 /nfs/dbraw/zinc/84/86/60/381848660.db2.gz ONGFPHLPPGVROM-QWHCGFSZSA-N 0 3 278.421 3.257 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(Cl)cc1C ZINC000361634979 381849760 /nfs/dbraw/zinc/84/97/60/381849760.db2.gz CUMWSJCQSRYTKW-UHFFFAOYSA-N 0 3 253.773 3.283 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000363408943 382218248 /nfs/dbraw/zinc/21/82/48/382218248.db2.gz JKCYIYXMXXSSLT-SFHVURJKSA-N 0 3 278.355 3.212 20 30 CGEDHN N#CCCCCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000364344650 382269384 /nfs/dbraw/zinc/26/93/84/382269384.db2.gz ZANAVOSBXSSWBQ-QGZVFWFLSA-N 0 3 270.376 3.202 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCN1CCCCC1 ZINC000365739527 382294053 /nfs/dbraw/zinc/29/40/53/382294053.db2.gz PHNHJYCMZVRZPO-MOPGFXCFSA-N 0 3 297.446 3.244 20 30 CGEDHN Cc1cc(N)cc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000335359635 208270967 /nfs/dbraw/zinc/27/09/67/208270967.db2.gz KRGCYCFQIVSKDF-SFHVURJKSA-N 0 3 277.371 3.226 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000336575908 533112071 /nfs/dbraw/zinc/11/20/71/533112071.db2.gz WLIDRHBYXLPHFA-GXFFZTMASA-N 0 3 294.807 3.193 20 30 CGEDHN C=CCOc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000171128664 335056310 /nfs/dbraw/zinc/05/63/10/335056310.db2.gz FWRFQMSJSXXKQP-UHFFFAOYSA-N 0 3 278.355 3.413 20 30 CGEDHN COCc1ccccc1/C=C(\C)CNCCCC#N ZINC000352854915 533254130 /nfs/dbraw/zinc/25/41/30/533254130.db2.gz AYYWUDVKBDRVKM-SDNWHVSQSA-N 0 3 258.365 3.130 20 30 CGEDHN C[C@@H](NCC1(CCO)CCCC1)c1ccc(C#N)cc1F ZINC000358575450 533358184 /nfs/dbraw/zinc/35/81/84/533358184.db2.gz SRFIGNVOJWMBAG-CYBMUJFWSA-N 0 3 290.382 3.291 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000358448276 533503063 /nfs/dbraw/zinc/50/30/63/533503063.db2.gz QTAFRXWZWDGEIT-OZVIIMIRSA-N 0 3 276.355 3.306 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000184352988 129303290 /nfs/dbraw/zinc/30/32/90/129303290.db2.gz BLBNUSKNRHPFGA-NWDGAFQWSA-N 0 3 288.416 3.243 20 30 CGEDHN CN(CCOc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000048331327 391997251 /nfs/dbraw/zinc/99/72/51/391997251.db2.gz WRQNWMGBOKIMAT-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)C[C@@H]1CC=CCC1 ZINC000361678363 392294674 /nfs/dbraw/zinc/29/46/74/392294674.db2.gz NVNFEBPINSJBBE-CQSZACIVSA-N 0 3 290.432 3.424 20 30 CGEDHN CC(C)CO[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000247627197 131104928 /nfs/dbraw/zinc/10/49/28/131104928.db2.gz NPJFYQOXBYKZOY-PBHICJAKSA-N 0 3 272.392 3.366 20 30 CGEDHN C[C@H](c1cccc(O)c1)N(C)CCOc1ccccc1C#N ZINC000109782269 392375127 /nfs/dbraw/zinc/37/51/27/392375127.db2.gz SWPBTFMFAATWTI-CQSZACIVSA-N 0 3 296.370 3.336 20 30 CGEDHN N#CCCCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000121704788 392415793 /nfs/dbraw/zinc/41/57/93/392415793.db2.gz JCFLAUHBZGXMRK-ZDUSSCGKSA-N 0 3 276.405 3.479 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OCC3CC3)nc2)cc1 ZINC000289226364 392416896 /nfs/dbraw/zinc/41/68/96/392416896.db2.gz JVTQOMUAYRJCIX-UHFFFAOYSA-N 0 3 292.382 3.142 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)s1 ZINC000289241244 392416952 /nfs/dbraw/zinc/41/69/52/392416952.db2.gz DSRDUALPBOQSHK-STQMWFEESA-N 0 3 278.421 3.135 20 30 CGEDHN COC(=O)c1cc(CN(C)CC(C)(C)CCC#N)oc1C ZINC000122444077 392423155 /nfs/dbraw/zinc/42/31/55/392423155.db2.gz NTOQHMUUGZGILX-UHFFFAOYSA-N 0 3 292.379 3.136 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC)c2ccccc21 ZINC000289716940 392429848 /nfs/dbraw/zinc/42/98/48/392429848.db2.gz JJIHMINHHUGUNK-CHWSQXEVSA-N 0 3 271.360 3.046 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OCCCC)cc1 ZINC000289771908 392431754 /nfs/dbraw/zinc/43/17/54/392431754.db2.gz MFHPWVCRSDSKMN-HIFRSBDPSA-N 0 3 263.381 3.063 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1nccc2ccccc21 ZINC000290631064 392452970 /nfs/dbraw/zinc/45/29/70/392452970.db2.gz IZWSRKDGXYPVTM-AWEZNQCLSA-N 0 3 270.376 3.478 20 30 CGEDHN C[C@H](Nc1cccc(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000287805770 392402862 /nfs/dbraw/zinc/40/28/62/392402862.db2.gz PNLLTYUKNUKSDJ-GUYCJALGSA-N 0 3 280.375 3.057 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000291784211 392481399 /nfs/dbraw/zinc/48/13/99/392481399.db2.gz VIKLAKPJBSUBMS-YVEFUNNKSA-N 0 3 298.411 3.412 20 30 CGEDHN C=C(C)CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000303993887 392627374 /nfs/dbraw/zinc/62/73/74/392627374.db2.gz OEMBTUVQXKKWPY-INIZCTEOSA-N 0 3 263.356 3.147 20 30 CGEDHN CC(=O)Nc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000181938743 392739268 /nfs/dbraw/zinc/73/92/68/392739268.db2.gz OKNRTEWCYJDSII-ZDUSSCGKSA-N 0 3 293.370 3.367 20 30 CGEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000334313568 392719581 /nfs/dbraw/zinc/71/95/81/392719581.db2.gz NRBGHQQUXGAXLA-UKRRQHHQSA-N 0 3 256.349 3.290 20 30 CGEDHN CCCCN(CCOC)Cc1ccc(C#N)cc1C ZINC000186227337 392778312 /nfs/dbraw/zinc/77/83/12/392778312.db2.gz HOQDVTHFZZZFDW-UHFFFAOYSA-N 0 3 260.381 3.115 20 30 CGEDHN N#Cc1ccc(CN2CCC=C(c3ccco3)C2)cc1 ZINC000375690413 392805443 /nfs/dbraw/zinc/80/54/43/392805443.db2.gz UKEVFURMZOFMJR-UHFFFAOYSA-N 0 3 264.328 3.441 20 30 CGEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)CCC1(F)F ZINC000335673571 392805621 /nfs/dbraw/zinc/80/56/21/392805621.db2.gz VRUDSJSGIFFASQ-LBPRGKRZSA-N 0 3 264.319 3.230 20 30 CGEDHN Cc1ccc([C@@H]2CCCCCN2C(=O)C(C)C#N)o1 ZINC000335680353 392807179 /nfs/dbraw/zinc/80/71/79/392807179.db2.gz UOKKIKMLPREFEG-YPMHNXCESA-N 0 3 260.337 3.191 20 30 CGEDHN CC1(C)SC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000338478999 392915951 /nfs/dbraw/zinc/91/59/51/392915951.db2.gz YZERONXPIMYKDX-HNNXBMFYSA-N 0 3 290.432 3.353 20 30 CGEDHN CCOc1ccc([C@H]2CCCN2CCOCCC#N)cc1 ZINC000338885151 392933993 /nfs/dbraw/zinc/93/39/93/392933993.db2.gz XLUUFFPDCOYMSY-QGZVFWFLSA-N 0 3 288.391 3.152 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000339070502 392945322 /nfs/dbraw/zinc/94/53/22/392945322.db2.gz ZDZKSHCXSPMPJJ-KCQAQPDRSA-N 0 3 288.391 3.437 20 30 CGEDHN C[C@H]1CCN(CCOCCC#N)[C@H]1c1cccc(F)c1 ZINC000339011198 392941929 /nfs/dbraw/zinc/94/19/29/392941929.db2.gz QOVIASJPPPSTOP-XJKSGUPXSA-N 0 3 276.355 3.139 20 30 CGEDHN C=CCOCCN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000339061459 392942722 /nfs/dbraw/zinc/94/27/22/392942722.db2.gz KSLQFMJPUSZWQO-QWHCGFSZSA-N 0 3 263.356 3.336 20 30 CGEDHN N#CCCOCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000339066236 392945836 /nfs/dbraw/zinc/94/58/36/392945836.db2.gz GEDZUBUVGPQEPM-CYBMUJFWSA-N 0 3 286.297 3.200 20 30 CGEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000194942330 392946855 /nfs/dbraw/zinc/94/68/55/392946855.db2.gz HSFQDXUFDZCQLN-KRWDZBQOSA-N 0 3 290.382 3.478 20 30 CGEDHN CN(CC[C@H]1CCCO1)CCC1(C#N)CCCCC1 ZINC000411625953 392981647 /nfs/dbraw/zinc/98/16/47/392981647.db2.gz VMSGXBFFOMNKRF-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN CO[C@@H]1CN(CCC2(C#N)CCCCC2)CC[C@H]1C ZINC000411613988 392981675 /nfs/dbraw/zinc/98/16/75/392981675.db2.gz QMPMEPQYXNXOCK-HUUCEWRRSA-N 0 3 264.413 3.207 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000411686239 392983393 /nfs/dbraw/zinc/98/33/93/392983393.db2.gz XCRQULHVXQFATP-CJNGLKHVSA-N 0 3 260.356 3.481 20 30 CGEDHN CC#CCN(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411773121 392988998 /nfs/dbraw/zinc/98/89/98/392988998.db2.gz SEOXXVDIPNDOOJ-UHFFFAOYSA-N 0 3 299.201 3.277 20 30 CGEDHN N#CCc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411921153 392990762 /nfs/dbraw/zinc/99/07/62/392990762.db2.gz HFVDADQRNWOCGL-OALUTQOASA-N 0 3 292.382 3.061 20 30 CGEDHN C=CCCN(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412275769 392999687 /nfs/dbraw/zinc/99/96/87/392999687.db2.gz KJCVNBISXQYCDN-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN COCC1(C#N)CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000342835463 393009087 /nfs/dbraw/zinc/00/90/87/393009087.db2.gz GNBXQQUCZZJSQA-IRXDYDNUSA-N 0 3 284.403 3.042 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@]23CCOC3)cc1 ZINC000342839580 393010687 /nfs/dbraw/zinc/01/06/87/393010687.db2.gz IPKJTRHCRHZGNI-QGZVFWFLSA-N 0 3 273.376 3.006 20 30 CGEDHN COc1ccccc1[C@@H](C)NCCc1cccc(C#N)c1 ZINC000467453504 393102372 /nfs/dbraw/zinc/10/23/72/393102372.db2.gz GDPUSFSVDNGWJU-CQSZACIVSA-N 0 3 280.371 3.460 20 30 CGEDHN C[C@H](NCCN1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906975 393255092 /nfs/dbraw/zinc/25/50/92/393255092.db2.gz CLSVGNJBJFAFOH-KBPBESRZSA-N 0 3 289.398 3.080 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@](C)(OC)C2)cc1 ZINC000355212872 393262880 /nfs/dbraw/zinc/26/28/80/393262880.db2.gz DYDDSAITWWKEKT-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCC[C@@H](NCC[C@H](O)C(C)C)c1ccco1 ZINC000356098350 393357342 /nfs/dbraw/zinc/35/73/42/393357342.db2.gz VYJUOXGAXRTZIP-KGLIPLIRSA-N 0 3 251.370 3.284 20 30 CGEDHN CC(C)(C)C[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000488709863 393547413 /nfs/dbraw/zinc/54/74/13/393547413.db2.gz RRAQNMRZNMHXRS-MRXNPFEDSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CCOc1ccc(CN(CC)C[C@@H](C)OC)cc1 ZINC000361019512 393644307 /nfs/dbraw/zinc/64/43/07/393644307.db2.gz ZYADIBJULJSMOV-CQSZACIVSA-N 0 3 263.381 3.108 20 30 CGEDHN C[C@H]1CC2(CCC2)CN1Cc1ccc(C#N)cc1F ZINC000433022908 393670820 /nfs/dbraw/zinc/67/08/20/393670820.db2.gz MLTIEOOJMBNNGX-LBPRGKRZSA-N 0 3 258.340 3.462 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000449535407 393887237 /nfs/dbraw/zinc/88/72/37/393887237.db2.gz HQPUMIFZNLGLHI-RDJZCZTQSA-N 0 3 270.351 3.318 20 30 CGEDHN N#Cc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)s1 ZINC000449537747 393888738 /nfs/dbraw/zinc/88/87/38/393888738.db2.gz JWERVWPLLPUZKP-HUUCEWRRSA-N 0 3 258.390 3.240 20 30 CGEDHN C[C@@H](NCCC[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000453392923 394229928 /nfs/dbraw/zinc/22/99/28/394229928.db2.gz ZAOGIBQYPHECSP-CHWSQXEVSA-N 0 3 276.355 3.165 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000456959711 394301489 /nfs/dbraw/zinc/30/14/89/394301489.db2.gz GMNMJNXSQJJXPO-HZSPNIEDSA-N 0 3 285.391 3.067 20 30 CGEDHN C=CC1CCN(Cc2cc(COC)cs2)CC1 ZINC000667623738 542899553 /nfs/dbraw/zinc/89/95/53/542899553.db2.gz CLDUMKBOBHNBHI-UHFFFAOYSA-N 0 3 251.395 3.293 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](c1ccc(F)cc1)C(C)C ZINC000669704041 543120625 /nfs/dbraw/zinc/12/06/25/543120625.db2.gz LLKWTDODYSXGJB-CABCVRRESA-N 0 3 251.345 3.049 20 30 CGEDHN C=CCOc1ccc(CN2CC(C3CCOCC3)C2)cc1 ZINC000669715408 543121845 /nfs/dbraw/zinc/12/18/45/543121845.db2.gz JSTFBWMTHWMSAM-UHFFFAOYSA-N 0 3 287.403 3.110 20 30 CGEDHN COCC#CCN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000677818796 543468016 /nfs/dbraw/zinc/46/80/16/543468016.db2.gz IRSIZLBLJNZNGO-SFHVURJKSA-N 0 3 269.388 3.178 20 30 CGEDHN C=CCOc1ccccc1CN(CC)C[C@@H]1CCOC1 ZINC000678151420 543488784 /nfs/dbraw/zinc/48/87/84/543488784.db2.gz LIXXDKQRLBZQKA-HNNXBMFYSA-N 0 3 275.392 3.110 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1ccccc1OC(F)F ZINC000678743679 543552451 /nfs/dbraw/zinc/55/24/51/543552451.db2.gz HBLFYOXOKDOIAG-CHWSQXEVSA-N 0 3 285.334 3.266 20 30 CGEDHN COCC#CCN[C@H](C)c1ccc(SC(C)C)cc1 ZINC000678765394 543554313 /nfs/dbraw/zinc/55/43/13/543554313.db2.gz OSKRGGHDMMGFMG-CQSZACIVSA-N 0 3 277.433 3.488 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000678779658 543557508 /nfs/dbraw/zinc/55/75/08/543557508.db2.gz LRQWYOPIDDGCIV-CABCVRRESA-N 0 3 267.376 3.325 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000678723873 543550684 /nfs/dbraw/zinc/55/06/84/543550684.db2.gz BOMQEVXVCRDVBZ-HIFRSBDPSA-N 0 3 293.407 3.072 20 30 CGEDHN COCC#CCN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000678791149 543559308 /nfs/dbraw/zinc/55/93/08/543559308.db2.gz JMCLHJPXRGXJOV-INIZCTEOSA-N 0 3 259.393 3.322 20 30 CGEDHN CC[C@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000087833134 165189173 /nfs/dbraw/zinc/18/91/73/165189173.db2.gz SZPGZUDSOGSHTI-HNNXBMFYSA-N 0 3 258.365 3.331 20 30 CGEDHN CC[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000087833178 165191067 /nfs/dbraw/zinc/19/10/67/165191067.db2.gz YUGKUIUZYPRBHB-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccsc1 ZINC000090107760 287099747 /nfs/dbraw/zinc/09/97/47/287099747.db2.gz BJUKHVFDOLLMJF-LBPRGKRZSA-N 0 3 272.373 3.349 20 30 CGEDHN C[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CN1C1CC1 ZINC000122819096 287212983 /nfs/dbraw/zinc/21/29/83/287212983.db2.gz XNLFPOGSJHELQD-GXFFZTMASA-N 0 3 275.783 3.249 20 30 CGEDHN N#CC(C(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000005615272 170120326 /nfs/dbraw/zinc/12/03/26/170120326.db2.gz YISZDBBPLZKGNJ-SECBINFHSA-N 0 3 267.313 3.114 20 30 CGEDHN C[C@H](NCCc1ccco1)c1ccc(C#N)c(F)c1 ZINC000128965436 287321873 /nfs/dbraw/zinc/32/18/73/287321873.db2.gz SOYXUSPGPAXPFB-NSHDSACASA-N 0 3 258.296 3.184 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000342734307 416541185 /nfs/dbraw/zinc/54/11/85/416541185.db2.gz JPYFFTDBAXNMIM-STQMWFEESA-N 0 3 294.826 3.414 20 30 CGEDHN COc1ccc2ccccc2c1CNCCCC#N ZINC000344324853 225047224 /nfs/dbraw/zinc/04/72/24/225047224.db2.gz LCRDKFHMEIDSCO-UHFFFAOYSA-N 0 3 254.333 3.242 20 30 CGEDHN C=CCOCCNCc1ccc(-c2ccccc2F)o1 ZINC000679485437 543640654 /nfs/dbraw/zinc/64/06/54/543640654.db2.gz GBNHTLMGLBIYFO-UHFFFAOYSA-N 0 3 275.323 3.378 20 30 CGEDHN C=C(C)CN(CC)Cc1cc2c(c(Cl)c1)OCO2 ZINC000680854523 543739685 /nfs/dbraw/zinc/73/96/85/543739685.db2.gz ZZLQULAUMIYMNJ-UHFFFAOYSA-N 0 3 267.756 3.467 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccc(C#N)s1 ZINC000131373283 287377629 /nfs/dbraw/zinc/37/76/29/287377629.db2.gz WXFSAEMBUGVXQJ-UONOGXRCSA-N 0 3 278.421 3.303 20 30 CGEDHN C=CCOCCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000684205304 543972730 /nfs/dbraw/zinc/97/27/30/543972730.db2.gz OOZCXYIUHRJMFW-GFCCVEGCSA-N 0 3 280.437 3.265 20 30 CGEDHN C=CCC1(c2nc(C3C[C@H]4CC[C@@H](C3)N4C)no2)CCC1 ZINC000685325833 544063121 /nfs/dbraw/zinc/06/31/21/544063121.db2.gz JICZPNXYIXOQPH-AGUYFDCRSA-N 0 3 287.407 3.408 20 30 CGEDHN C=CCOc1ccc(CN(C)C[C@@H](O)C2CC2)cc1Cl ZINC000685460664 544074509 /nfs/dbraw/zinc/07/45/09/544074509.db2.gz CNTBVTWSKPGZJL-OAHLLOKOSA-N 0 3 295.810 3.108 20 30 CGEDHN CCC#C[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000685595368 544088593 /nfs/dbraw/zinc/08/85/93/544088593.db2.gz TYLXEZLGARJZDI-JQFCIGGWSA-N 0 3 290.838 3.477 20 30 CGEDHN C=CCCC(C)(C)NC(=O)Nc1cccc(CNC)c1 ZINC000659018540 418957229 /nfs/dbraw/zinc/95/72/29/418957229.db2.gz IMJFPCRMWBUFFA-UHFFFAOYSA-N 0 3 275.396 3.272 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)CN2CCC(C)CC2)c1 ZINC000664455436 418960690 /nfs/dbraw/zinc/96/06/90/418960690.db2.gz BAOPWUFHCWCPGW-CQSZACIVSA-N 0 3 299.418 3.293 20 30 CGEDHN C=CCCCCN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664881322 419020144 /nfs/dbraw/zinc/02/01/44/419020144.db2.gz XCTSIWBYIIEDMA-UHFFFAOYSA-N 0 3 261.413 3.161 20 30 CGEDHN C=CCCOCCNCc1cn(-c2ccc(C)cc2)nc1C ZINC000655751669 419086949 /nfs/dbraw/zinc/08/69/49/419086949.db2.gz PNYLQHFMECTUBE-UHFFFAOYSA-N 0 3 299.418 3.171 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H]1CCCn2ccnc21 ZINC000655777829 419095943 /nfs/dbraw/zinc/09/59/43/419095943.db2.gz ZQUIEUWAIRZZCM-DLBZAZTESA-N 0 3 281.403 3.495 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)C2CCC(F)(F)CC2)nn1 ZINC000653873657 419099890 /nfs/dbraw/zinc/09/98/90/419099890.db2.gz UMMOMYRSUOFKTH-GFCCVEGCSA-N 0 3 298.381 3.158 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@@H]2[C@H](C)CCC)nn1 ZINC000653570897 419051784 /nfs/dbraw/zinc/05/17/84/419051784.db2.gz JAXMKJTTZJNAKH-GDBMZVCRSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCCC[C@H]2CCC)nn1 ZINC000653620745 419060879 /nfs/dbraw/zinc/06/08/79/419060879.db2.gz VXIGKTHMCJMKFS-ZBFHGGJFSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCCn1cc(CN(CC)[C@H]2CCCC[C@H]2C)nn1 ZINC000653632598 419061885 /nfs/dbraw/zinc/06/18/85/419061885.db2.gz ZYRSSMMHZDJIJA-ZBFHGGJFSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@@H](N)CC)nn1 ZINC000656457240 419173182 /nfs/dbraw/zinc/17/31/82/419173182.db2.gz IDJFMJVURAOROU-CABCVRRESA-N 0 3 270.380 3.048 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@H](N)CC)nn1 ZINC000656457243 419173343 /nfs/dbraw/zinc/17/33/43/419173343.db2.gz IDJFMJVURAOROU-LSDHHAIUSA-N 0 3 270.380 3.048 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000657298184 419245408 /nfs/dbraw/zinc/24/54/08/419245408.db2.gz UMAUIMAOAPPGNQ-ARFHVFGLSA-N 0 3 288.439 3.303 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000661378196 419255683 /nfs/dbraw/zinc/25/56/83/419255683.db2.gz ADOOTZQLTADSSP-NVXWUHKLSA-N 0 3 286.419 3.104 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(F)c(F)c1F ZINC000657455577 419283542 /nfs/dbraw/zinc/28/35/42/419283542.db2.gz VMOHBPQCABXPOL-NHYWBVRUSA-N 0 3 285.309 3.175 20 30 CGEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@@H]2CC)nn1 ZINC000657478117 419288383 /nfs/dbraw/zinc/28/83/83/419288383.db2.gz FIAVETSXPHETSS-LSDHHAIUSA-N 0 3 276.428 3.160 20 30 CGEDHN C=C(C)CCNCc1cccc(F)c1OC(F)F ZINC000657479394 419289196 /nfs/dbraw/zinc/28/91/96/419289196.db2.gz JKSXNVOVYOBTRP-UHFFFAOYSA-N 0 3 259.271 3.483 20 30 CGEDHN C=CCN(CC(=O)NCc1ccc(C)c(F)c1)C(C)(C)C ZINC000661755711 419294736 /nfs/dbraw/zinc/29/47/36/419294736.db2.gz PJUCDKANJVCMCL-UHFFFAOYSA-N 0 3 292.398 3.037 20 30 CGEDHN C=CCN(Cc1cc(-c2cnn(C)c2C)no1)C(C)(C)C ZINC000661760761 419295910 /nfs/dbraw/zinc/29/59/10/419295910.db2.gz ZRDJBBAWPAESEU-UHFFFAOYSA-N 0 3 288.395 3.170 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)[C@H]2CC3CCC2CC3)nn1 ZINC000657503368 419296144 /nfs/dbraw/zinc/29/61/44/419296144.db2.gz GPBNXSAILGPQGH-ARAOSMHQSA-N 0 3 288.439 3.159 20 30 CGEDHN C=CCCNCc1csc(-c2ccc(OC)cc2)n1 ZINC000657583076 419309265 /nfs/dbraw/zinc/30/92/65/419309265.db2.gz XXZQSEWXESMFIB-UHFFFAOYSA-N 0 3 274.389 3.484 20 30 CGEDHN C=CCCCCN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000661943077 419313822 /nfs/dbraw/zinc/31/38/22/419313822.db2.gz VRGJRMWHMJUCHX-AWEZNQCLSA-N 0 3 276.428 3.402 20 30 CGEDHN C=CCC1(NCc2nc3c(s2)CCCC3)CCOCC1 ZINC000657633648 419317675 /nfs/dbraw/zinc/31/76/75/419317675.db2.gz UONOJDATZGULLC-UHFFFAOYSA-N 0 3 292.448 3.237 20 30 CGEDHN C=CCOCCCNCc1cccc(Cl)c1F ZINC000657658216 419320527 /nfs/dbraw/zinc/32/05/27/419320527.db2.gz POCLTNUEAPMASE-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000662081320 419333948 /nfs/dbraw/zinc/33/39/48/419333948.db2.gz VPCNLONMBVRFJB-IEMTVISKSA-N 0 3 290.451 3.253 20 30 CGEDHN CC(C#N)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000336048104 228182554 /nfs/dbraw/zinc/18/25/54/228182554.db2.gz LZLGWVCROGLUGF-NSHDSACASA-N 0 3 294.757 3.287 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000662629966 419472580 /nfs/dbraw/zinc/47/25/80/419472580.db2.gz GCPMQZDKWQKCOU-ZMSDIMECSA-N 0 3 286.419 3.137 20 30 CGEDHN C=CCC1(NC(=O)C[C@H](N)c2ccccc2)CCCC1 ZINC000662889030 419504137 /nfs/dbraw/zinc/50/41/37/419504137.db2.gz QHUUWPQIWONKAE-HNNXBMFYSA-N 0 3 272.392 3.082 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1c(OC)cccc1OC ZINC000658120471 419598001 /nfs/dbraw/zinc/59/80/01/419598001.db2.gz IQMOPJKRCWBWOB-OLZOCXBDSA-N 0 3 263.381 3.394 20 30 CGEDHN CC[C@](C)(NCCCSCC#N)c1nccs1 ZINC000072484682 260276514 /nfs/dbraw/zinc/27/65/14/260276514.db2.gz NFJNTOUXCTVZCO-LBPRGKRZSA-N 0 3 269.439 3.005 20 30 CGEDHN C=CCOc1ccccc1CNCC1(OC)CCCC1 ZINC000313240928 260269939 /nfs/dbraw/zinc/26/99/39/260269939.db2.gz VJNZRFCGTPZJBO-UHFFFAOYSA-N 0 3 275.392 3.300 20 30 CGEDHN N#CCc1cccc(NC2CCN(c3ccncc3)CC2)c1 ZINC000313414659 260291713 /nfs/dbraw/zinc/29/17/13/260291713.db2.gz ZEJMPQUWMJEEDE-UHFFFAOYSA-N 0 3 292.386 3.229 20 30 CGEDHN N#CCCCN1CCC(CCc2ccc(O)cc2)CC1 ZINC000518582535 260457935 /nfs/dbraw/zinc/45/79/35/260457935.db2.gz DPNPUAWVFRJBJM-UHFFFAOYSA-N 0 3 272.392 3.341 20 30 CGEDHN C=CC[C@@H](C)NCc1cnc(C(F)(F)F)s1 ZINC000336747020 262022869 /nfs/dbraw/zinc/02/28/69/262022869.db2.gz RRVIKTRWPDYIPN-SSDOTTSWSA-N 0 3 250.289 3.216 20 30 CGEDHN CCOCc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185769549 262069414 /nfs/dbraw/zinc/06/94/14/262069414.db2.gz WACFOSNUVDVORG-WMLDXEAASA-N 0 3 272.392 3.395 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000192659178 262207758 /nfs/dbraw/zinc/20/77/58/262207758.db2.gz AXBOWBHKCWWDPT-WMZOPIPTSA-N 0 3 294.402 3.103 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC2(c3cccc(F)c3)CC2)C1 ZINC000193092715 262215837 /nfs/dbraw/zinc/21/58/37/262215837.db2.gz YWJIBPMDJGHXNV-SWLSCSKDSA-N 0 3 258.340 3.487 20 30 CGEDHN COC[C@H](NCCCSCC#N)c1ccc(Cl)cc1 ZINC000193660012 262225429 /nfs/dbraw/zinc/22/54/29/262225429.db2.gz AQXVPKQLSQBVOE-AWEZNQCLSA-N 0 3 298.839 3.264 20 30 CGEDHN C=CCC[C@H](CC)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000364446481 262241922 /nfs/dbraw/zinc/24/19/22/262241922.db2.gz NXVYRAQLLZCINK-KBPBESRZSA-N 0 3 276.428 3.400 20 30 CGEDHN C=CC1CCN(CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000111256938 262258324 /nfs/dbraw/zinc/25/83/24/262258324.db2.gz WSXLTIYWGFZNNC-UHFFFAOYSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000188379589 262293049 /nfs/dbraw/zinc/29/30/49/262293049.db2.gz SLEUQGDJUIVGTA-CRAIPNDOSA-N 0 3 288.435 3.225 20 30 CGEDHN Cc1ccc2c(CCNCc3ccc(C#N)o3)cn(C)c2c1 ZINC000186545862 262317180 /nfs/dbraw/zinc/31/71/80/262317180.db2.gz CPACWAJOPSRHFR-UHFFFAOYSA-N 0 3 293.370 3.284 20 30 CGEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000336783644 262394590 /nfs/dbraw/zinc/39/45/90/262394590.db2.gz DARXLBKUYKMENN-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](CC(C)C)c2ccccc2)C1=O ZINC000337170185 262427622 /nfs/dbraw/zinc/42/76/22/262427622.db2.gz CSUAWXCDKWBCDS-IAGOWNOFSA-N 0 3 286.419 3.150 20 30 CGEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411152674 262681142 /nfs/dbraw/zinc/68/11/42/262681142.db2.gz HHCJQADXFBFLIT-CQSZACIVSA-N 0 3 295.448 3.046 20 30 CGEDHN CCn1cc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000271457213 262996774 /nfs/dbraw/zinc/99/67/74/262996774.db2.gz JNAUPPAPXIFQGG-ZIAGYGMSSA-N 0 3 298.390 3.217 20 30 CGEDHN COc1cccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000274192972 263021853 /nfs/dbraw/zinc/02/18/53/263021853.db2.gz IJBYMXBYQGHIKC-YDHLFZDLSA-N 0 3 258.365 3.428 20 30 CGEDHN CC(C)(C#N)CCN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000277056271 263039543 /nfs/dbraw/zinc/03/95/43/263039543.db2.gz MNXOYAYKPHYARE-LSDHHAIUSA-N 0 3 294.345 3.324 20 30 CGEDHN CN(C)C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000286982349 263100380 /nfs/dbraw/zinc/10/03/80/263100380.db2.gz JBQHBUASJLNAPC-JQFCIGGWSA-N 0 3 289.398 3.100 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000340405467 263136132 /nfs/dbraw/zinc/13/61/32/263136132.db2.gz UKJLLFWCTBCVOP-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1cc2ccccc2o1 ZINC000294649976 263165394 /nfs/dbraw/zinc/16/53/94/263165394.db2.gz QPKWYGPBJJUSOF-GFCCVEGCSA-N 0 3 258.321 3.014 20 30 CGEDHN C=CCN(CCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000298305321 263217307 /nfs/dbraw/zinc/21/73/07/263217307.db2.gz YHFYUPHXDAUDTC-SJORKVTESA-N 0 3 254.377 3.409 20 30 CGEDHN COc1cc2nccc(NCCCCC#N)c2cc1OC ZINC000298476256 263220292 /nfs/dbraw/zinc/22/02/92/263220292.db2.gz ZNRRKCYQNSOZHN-UHFFFAOYSA-N 0 3 285.347 3.358 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](CC)c1cc(F)ccc1F ZINC000453338198 263241897 /nfs/dbraw/zinc/24/18/97/263241897.db2.gz CDYXYEUDPBDYCU-WFASDCNBSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(C)C ZINC000340678947 263285993 /nfs/dbraw/zinc/28/59/93/263285993.db2.gz ZMHNIIWEYMISIB-AWEZNQCLSA-N 0 3 294.464 3.239 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000341807675 263354793 /nfs/dbraw/zinc/35/47/93/263354793.db2.gz DPUSFZJLLUTKML-CQSZACIVSA-N 0 3 272.392 3.430 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000341882189 263362637 /nfs/dbraw/zinc/36/26/37/263362637.db2.gz GOHHYGGWSCDQPD-SMDDNHRTSA-N 0 3 281.396 3.137 20 30 CGEDHN C=C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000342017168 263379036 /nfs/dbraw/zinc/37/90/36/263379036.db2.gz WTNHWCHCNMCXCQ-UHFFFAOYSA-N 0 3 276.336 3.016 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCN(CC(F)F)C1)c1ccco1 ZINC000417362613 263817166 /nfs/dbraw/zinc/81/71/66/263817166.db2.gz AIBOSVLRSHIKEG-OLZOCXBDSA-N 0 3 284.350 3.216 20 30 CGEDHN C#CCCN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000070191079 264224621 /nfs/dbraw/zinc/22/46/21/264224621.db2.gz POIKYYGXRDYCBG-SNVBAGLBSA-N 0 3 282.181 3.132 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@H](OC)C1CC1 ZINC000425397847 264276864 /nfs/dbraw/zinc/27/68/64/264276864.db2.gz MTABGIXOTWQJPN-KRWDZBQOSA-N 0 3 259.393 3.142 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](COCC)C2)c1 ZINC000180152632 264392155 /nfs/dbraw/zinc/39/21/55/264392155.db2.gz WSNJVIHIWXWNOE-MRXNPFEDSA-N 0 3 275.392 3.110 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(F)ccc1F ZINC000280768844 264461377 /nfs/dbraw/zinc/46/13/77/264461377.db2.gz ZKFZFXXZUVZDPP-IAQYHMDHSA-N 0 3 267.319 3.036 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)C(C)(C)C)CC1 ZINC000519283641 265386445 /nfs/dbraw/zinc/38/64/45/265386445.db2.gz UQYXSBMOTNONJB-HNNXBMFYSA-N 0 3 295.471 3.151 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)OCO2 ZINC000186187931 270065161 /nfs/dbraw/zinc/06/51/61/270065161.db2.gz JJBCDIPHNMZBTK-ZDUSSCGKSA-N 0 3 294.354 3.480 20 30 CGEDHN CCC[C@@]1(COC)CCCN1Cc1ccccc1C#N ZINC000194918841 266074124 /nfs/dbraw/zinc/07/41/24/266074124.db2.gz FVSDGRPTJZWWIM-KRWDZBQOSA-N 0 3 272.392 3.339 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357046148 266238135 /nfs/dbraw/zinc/23/81/35/266238135.db2.gz UNWKHTPOMFVGCN-JKSUJKDBSA-N 0 3 290.451 3.088 20 30 CGEDHN COc1cc(CN[C@H]2CCc3ccc(F)cc32)ccc1C#N ZINC000353652473 266830299 /nfs/dbraw/zinc/83/02/99/266830299.db2.gz AFCNRRLPWDEDAN-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN N#Cc1cc(F)ccc1NC[C@@H]1CCN1C1CCCC1 ZINC000528209872 270157890 /nfs/dbraw/zinc/15/78/90/270157890.db2.gz NVFNOXQAKPRMTQ-HNNXBMFYSA-N 0 3 273.355 3.126 20 30 CGEDHN Cc1noc([C@H]2CCCN(CCCCC(C)(C)C#N)C2)n1 ZINC000368439259 267173131 /nfs/dbraw/zinc/17/31/31/267173131.db2.gz SJNSZJVJGJNKNU-AWEZNQCLSA-N 0 3 290.411 3.278 20 30 CGEDHN C=CCCCN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000369411602 267239867 /nfs/dbraw/zinc/23/98/67/267239867.db2.gz LZGNNIQOSCUIRI-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN N#CCSCCCN1CCC[C@H](Oc2ccccc2)C1 ZINC000369838311 267270947 /nfs/dbraw/zinc/27/09/47/267270947.db2.gz SUWVSPIMMJQKFN-INIZCTEOSA-N 0 3 290.432 3.177 20 30 CGEDHN C[C@@H](CCc1ccc2c(c1)OCO2)NCC1(C#N)CCC1 ZINC000418143474 267365836 /nfs/dbraw/zinc/36/58/36/267365836.db2.gz POJMRWSFTJODJA-ZDUSSCGKSA-N 0 3 286.375 3.020 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418136584 267368702 /nfs/dbraw/zinc/36/87/02/267368702.db2.gz CONZLHHCTNZWCG-NVXWUHKLSA-N 0 3 283.419 3.105 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1ccccn1)C(C)C ZINC000302990326 267569818 /nfs/dbraw/zinc/56/98/18/267569818.db2.gz WBWPWQXTPYULAQ-OAHLLOKOSA-N 0 3 259.397 3.192 20 30 CGEDHN N#Cc1cccc(CNCc2cccc(-n3cccn3)c2)c1 ZINC000532113311 270213624 /nfs/dbraw/zinc/21/36/24/270213624.db2.gz UFLHSVAHMWELPK-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCNc1cccc(F)c1C#N ZINC000341095727 274296197 /nfs/dbraw/zinc/29/61/97/274296197.db2.gz HHUIQGMSABTITL-BETUJISGSA-N 0 3 275.371 3.372 20 30 CGEDHN CC(C)[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000515852124 276027137 /nfs/dbraw/zinc/02/71/37/276027137.db2.gz ORPVSELBPXTUPQ-CQSZACIVSA-N 0 3 273.336 3.087 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccccc1C#N ZINC000185196583 277468680 /nfs/dbraw/zinc/46/86/80/277468680.db2.gz SVRWVCNJTVSPLJ-SJORKVTESA-N 0 3 272.392 3.242 20 30 CGEDHN COc1ccc(CN[C@H]2CCc3c2cccc3F)cc1C#N ZINC000266206860 277899875 /nfs/dbraw/zinc/89/98/75/277899875.db2.gz NCCWKKQKDIJBGB-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 ZINC000291654785 278357086 /nfs/dbraw/zinc/35/70/86/278357086.db2.gz DGPHIMWHTGDMMS-SJKOYZFVSA-N 0 3 298.411 3.412 20 30 CGEDHN C[C@H](NC[C@H]1CCC(C)(C)O1)c1ccc(C#N)cc1 ZINC000160222642 279483603 /nfs/dbraw/zinc/48/36/03/279483603.db2.gz HSTSEBWUEGNOPH-SWLSCSKDSA-N 0 3 258.365 3.166 20 30 CGEDHN Cc1ccc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000540707789 288667709 /nfs/dbraw/zinc/66/77/09/288667709.db2.gz NWFNWXWPZFEMKK-LBPRGKRZSA-N 0 3 272.323 3.492 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CCN([C@H]3C=CCCCCC3)C2)nc1 ZINC000550105612 289066911 /nfs/dbraw/zinc/06/69/11/289066911.db2.gz NZUJKWCJIFVXHL-DLBZAZTESA-N 0 3 297.402 3.295 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](C)NC[C@H](C#N)CCC#N ZINC000177476852 327790014 /nfs/dbraw/zinc/79/00/14/327790014.db2.gz PFJBVDZOJGCAPI-KKUMJFAQSA-N 0 3 255.365 3.212 20 30 CGEDHN C=CCc1cc(CN[C@H]2CS[C@@H](C)C2)cc(OC)c1O ZINC000414501461 328189973 /nfs/dbraw/zinc/18/99/73/328189973.db2.gz NLYOHEKFPBALIA-SMDDNHRTSA-N 0 3 293.432 3.113 20 30 CGEDHN N#CCCOCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000292742012 328273311 /nfs/dbraw/zinc/27/33/11/328273311.db2.gz HJJCGOTWRLFWGN-INIZCTEOSA-N 0 3 276.355 3.283 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000565049413 322057173 /nfs/dbraw/zinc/05/71/73/322057173.db2.gz PMYYRINEOKRJMJ-UONOGXRCSA-N 0 3 287.363 3.381 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)CN1C1CC1 ZINC000569635161 322252532 /nfs/dbraw/zinc/25/25/32/322252532.db2.gz QOYIWFNROGJBPJ-ZWNOBZJWSA-N 0 3 275.783 3.249 20 30 CGEDHN CCC1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCCC1 ZINC000572409863 322336308 /nfs/dbraw/zinc/33/63/08/322336308.db2.gz FBAXZAHXRWRASF-UHFFFAOYSA-N 0 3 273.336 3.279 20 30 CGEDHN C[C@H](c1ccco1)N(CCCSCC#N)C1CC1 ZINC000086233771 327156186 /nfs/dbraw/zinc/15/61/86/327156186.db2.gz HHBRZGDIYONXOY-GFCCVEGCSA-N 0 3 264.394 3.452 20 30 CGEDHN CC(C)N(CC(=O)N(CCC#N)c1ccccc1)CC1CC1 ZINC000560456919 327309288 /nfs/dbraw/zinc/30/92/88/327309288.db2.gz LCOZKQMSMMLOIS-UHFFFAOYSA-N 0 3 299.418 3.054 20 30 CGEDHN C[C@@]1(c2ccccc2)CC[C@H](NCC2(C#N)CC2)C1 ZINC000569884617 327553736 /nfs/dbraw/zinc/55/37/36/327553736.db2.gz SWKXDVGDYYEOHB-JKSUJKDBSA-N 0 3 254.377 3.390 20 30 CGEDHN C=CCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000377007305 329009067 /nfs/dbraw/zinc/00/90/67/329009067.db2.gz NETUIWLYRZGDHL-CVEARBPZSA-N 0 3 293.455 3.001 20 30 CGEDHN CC(C)[C@@]1(CO)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000377733697 329027485 /nfs/dbraw/zinc/02/74/85/329027485.db2.gz YIZBBWIUNHXRJS-KRWDZBQOSA-N 0 3 291.822 3.032 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000177166315 329181526 /nfs/dbraw/zinc/18/15/26/329181526.db2.gz GAUOCHIUPZTAKO-UHFFFAOYSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccccc1N(C)C ZINC000180454350 329217194 /nfs/dbraw/zinc/21/71/94/329217194.db2.gz FRHQCMCGXWDNGH-CYBMUJFWSA-N 0 3 264.438 3.322 20 30 CGEDHN CC[C@@H](CC#N)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000184085301 329255909 /nfs/dbraw/zinc/25/59/09/329255909.db2.gz VCHFRWHPSLIGDB-MOKVOYLWSA-N 0 3 280.412 3.169 20 30 CGEDHN CC(C)[C@@H]1CCCC[C@H]1NCc1nc(C#N)cs1 ZINC000395336612 329282883 /nfs/dbraw/zinc/28/28/83/329282883.db2.gz WUWXGZZHNPYGKO-QWHCGFSZSA-N 0 3 263.410 3.319 20 30 CGEDHN CCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000185783052 329331830 /nfs/dbraw/zinc/33/18/30/329331830.db2.gz UUGPIPGAOQOPOT-DZGCQCFKSA-N 0 3 273.380 3.042 20 30 CGEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1CCc2ccccc21 ZINC000583194299 329356282 /nfs/dbraw/zinc/35/62/82/329356282.db2.gz UDRIHFGXYIKFEB-HOCLYGCPSA-N 0 3 267.376 3.140 20 30 CGEDHN C=CCOc1ccccc1CNCCC(F)(F)F ZINC000063099466 329366084 /nfs/dbraw/zinc/36/60/84/329366084.db2.gz WVUXULUWMSHALB-UHFFFAOYSA-N 0 3 259.271 3.293 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000321537061 329372602 /nfs/dbraw/zinc/37/26/02/329372602.db2.gz ZMYXUBSKGVIVOF-GDBMZVCRSA-N 0 3 292.379 3.353 20 30 CGEDHN C=C[C@H](C)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000237155194 329694096 /nfs/dbraw/zinc/69/40/96/329694096.db2.gz HQHIJRDTIRRVTH-JTQLQIEISA-N 0 3 289.297 3.300 20 30 CGEDHN C=C(C)CCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000509672690 332877883 /nfs/dbraw/zinc/87/78/83/332877883.db2.gz LDPABADAHZECLM-INIZCTEOSA-N 0 3 288.435 3.340 20 30 CGEDHN C=C(C)CCN1CCN(Cc2cccc(C)c2)CC1 ZINC000509813186 332882286 /nfs/dbraw/zinc/88/22/86/332882286.db2.gz PFUSOOLPOPBGON-UHFFFAOYSA-N 0 3 258.409 3.079 20 30 CGEDHN C=CCN1CCC(Nc2ccnc3ccccc32)CC1 ZINC000266346505 330063826 /nfs/dbraw/zinc/06/38/26/330063826.db2.gz IZCRTQGJWVLDSJ-UHFFFAOYSA-N 0 3 267.376 3.297 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H]1CCCC[C@@H]1O ZINC000572443845 330085486 /nfs/dbraw/zinc/08/54/86/330085486.db2.gz ICXXAEUHIFGFCB-SJORKVTESA-N 0 3 259.393 3.226 20 30 CGEDHN C=CC[N@@H+](CCc1ccco1)Cc1cccc(OC)c1[O-] ZINC000272674191 330087152 /nfs/dbraw/zinc/08/71/52/330087152.db2.gz UHMWDVZUNYAYJW-UHFFFAOYSA-N 0 3 287.359 3.225 20 30 CGEDHN C=CC[N@H+](CCc1ccco1)Cc1cccc(OC)c1[O-] ZINC000272674191 330087153 /nfs/dbraw/zinc/08/71/53/330087153.db2.gz UHMWDVZUNYAYJW-UHFFFAOYSA-N 0 3 287.359 3.225 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000424093893 330226230 /nfs/dbraw/zinc/22/62/30/330226230.db2.gz SKLXPMVGOFKCRK-IAGOWNOFSA-N 0 3 299.418 3.055 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000424165834 330309248 /nfs/dbraw/zinc/30/92/48/330309248.db2.gz FKJHMNKBWSTKJN-OAHLLOKOSA-N 0 3 291.439 3.017 20 30 CGEDHN C=CCn1cc(CNC2CCC(C(C)(C)C)CC2)nn1 ZINC000424176125 330316274 /nfs/dbraw/zinc/31/62/74/330316274.db2.gz WRRAMHMBJUDXMN-UHFFFAOYSA-N 0 3 276.428 3.159 20 30 CGEDHN CCCCN1CCCC[C@H]1CNC(=O)C(C#N)(CC)CC ZINC000528325078 330318807 /nfs/dbraw/zinc/31/88/07/330318807.db2.gz GQQVJFZQENELRP-HNNXBMFYSA-N 0 3 293.455 3.087 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)cc(F)c1 ZINC000424332999 330342798 /nfs/dbraw/zinc/34/27/98/330342798.db2.gz UBILZIGUMPDOSP-ISTVAULSSA-N 0 3 250.292 3.308 20 30 CGEDHN CC(C)(C)CN(CC#Cc1cccc(Cl)c1)CCCO ZINC000533325535 330357453 /nfs/dbraw/zinc/35/74/53/330357453.db2.gz MMZPLNRMTPDGRJ-UHFFFAOYSA-N 0 3 293.838 3.422 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000121040622 330395303 /nfs/dbraw/zinc/39/53/03/330395303.db2.gz BJLGTRKBBIZFHB-HZPDHXFCSA-N 0 3 288.435 3.459 20 30 CGEDHN C=CCCOCCN[C@@H]1CSCCc2ccccc21 ZINC000090883987 330396606 /nfs/dbraw/zinc/39/66/06/330396606.db2.gz QUILUNMMDICKDS-MRXNPFEDSA-N 0 3 277.433 3.199 20 30 CGEDHN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCC1(CC#N)CC1 ZINC000430735138 330571853 /nfs/dbraw/zinc/57/18/53/330571853.db2.gz PFBBBTXFRQFESQ-IAQYHMDHSA-N 0 3 258.340 3.342 20 30 CGEDHN C=CCC[C@@H](NCc1nccn1CC(F)(F)F)C1CC1 ZINC000439001641 330732226 /nfs/dbraw/zinc/73/22/26/330732226.db2.gz YJLBMEZEUFRYQI-GFCCVEGCSA-N 0 3 287.329 3.280 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000442783905 330782927 /nfs/dbraw/zinc/78/29/27/330782927.db2.gz USBMFXIDFIYISN-GXSJLCMTSA-N 0 3 299.205 3.082 20 30 CGEDHN CN(C)c1cc(CN[C@H]2CC[C@@H](C#N)C2)c2ccccc2n1 ZINC000442790833 330783889 /nfs/dbraw/zinc/78/38/89/330783889.db2.gz MIEOQUYOMNGZGS-HIFRSBDPSA-N 0 3 294.402 3.083 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C)c1cc(C(=O)OC)co1 ZINC000447580848 330871161 /nfs/dbraw/zinc/87/11/61/330871161.db2.gz QLOVJRWAHXKIIB-NWDGAFQWSA-N 0 3 265.353 3.462 20 30 CGEDHN CC(C)(C)Oc1cccc(CN[C@H]2CCC[C@H](C#N)C2)n1 ZINC000447586456 330871688 /nfs/dbraw/zinc/87/16/88/330871688.db2.gz MMDKCPARWGMPNS-KBPBESRZSA-N 0 3 287.407 3.431 20 30 CGEDHN COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000447589146 330871976 /nfs/dbraw/zinc/87/19/76/330871976.db2.gz WZJWMSIAIHZKJA-KCXAZCMYSA-N 0 3 276.355 3.185 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1sc(C)nc1C ZINC000163513865 331049619 /nfs/dbraw/zinc/04/96/19/331049619.db2.gz MGBWLLLWPUTAPE-JTQLQIEISA-N 0 3 254.399 3.003 20 30 CGEDHN C=C(C)CCN[C@@H](c1ccccc1)c1cncnc1 ZINC000453309131 331114331 /nfs/dbraw/zinc/11/43/31/331114331.db2.gz DHIQIBDNYJCENA-INIZCTEOSA-N 0 3 253.349 3.122 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H]1CC(C)(C)Cc2occc21 ZINC000453337000 331118667 /nfs/dbraw/zinc/11/86/67/331118667.db2.gz BMEIXOVEULMFMA-TZMCWYRMSA-N 0 3 263.381 3.210 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnc2ccsc2c1 ZINC000453352551 331120809 /nfs/dbraw/zinc/12/08/09/331120809.db2.gz JOVUPCFWEHSSKF-QKCSRTOESA-N 0 3 274.389 3.290 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CC(C)(C)C)CC1 ZINC000454470481 331146882 /nfs/dbraw/zinc/14/68/82/331146882.db2.gz WPGRIVWKJVMVNG-CQSZACIVSA-N 0 3 295.471 3.151 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000456775317 331202924 /nfs/dbraw/zinc/20/29/24/331202924.db2.gz NSTZDNNCODVKDB-PBHICJAKSA-N 0 3 284.403 3.454 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000459490620 331284826 /nfs/dbraw/zinc/28/48/26/331284826.db2.gz YKWMCNVIHBOFMC-GASCZTMLSA-N 0 3 290.838 3.106 20 30 CGEDHN C=C(CC)CN1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459557124 331287690 /nfs/dbraw/zinc/28/76/90/331287690.db2.gz GUBVULVTPRCJID-OAHLLOKOSA-N 0 3 253.386 3.006 20 30 CGEDHN C=CCOCCN1Cc2sccc2CC1(C)C ZINC000459577889 331288980 /nfs/dbraw/zinc/28/89/80/331288980.db2.gz HYGIBBAQSPZUSV-UHFFFAOYSA-N 0 3 251.395 3.087 20 30 CGEDHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000459646921 331292016 /nfs/dbraw/zinc/29/20/16/331292016.db2.gz DGEWQWHHGROBIN-RDBSUJKOSA-N 0 3 258.365 3.347 20 30 CGEDHN CC#CCCNCc1sccc1Br ZINC000165136493 331305872 /nfs/dbraw/zinc/30/58/72/331305872.db2.gz GYSVEGZPMAMRBQ-UHFFFAOYSA-N 0 3 258.184 3.014 20 30 CGEDHN C#C[C@@H](NC[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000491307690 332187038 /nfs/dbraw/zinc/18/70/38/332187038.db2.gz RGJRGJSKQQRLIR-BXUZGUMPSA-N 0 3 265.809 3.357 20 30 CGEDHN C#C[C@H](N[C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000491496942 332223463 /nfs/dbraw/zinc/22/34/63/332223463.db2.gz URDDBJRZTQKLSZ-DFBGVHRSSA-N 0 3 263.768 3.171 20 30 CGEDHN C#C[C@@H](CCC)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000491803627 332357685 /nfs/dbraw/zinc/35/76/85/332357685.db2.gz JLSIMUZCUKKFEM-ZDUSSCGKSA-N 0 3 298.386 3.026 20 30 CGEDHN C=C(CC)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000494282698 332469513 /nfs/dbraw/zinc/46/95/13/332469513.db2.gz PNRAELIFTFRDDM-ZBFHGGJFSA-N 0 3 292.810 3.168 20 30 CGEDHN C=CCCCCCN(C)CCn1cnc2ccccc2c1=O ZINC000172654709 335115435 /nfs/dbraw/zinc/11/54/35/335115435.db2.gz SMMAZXBQCJCQCH-UHFFFAOYSA-N 0 3 299.418 3.075 20 30 CGEDHN C[C@@H](C#N)CNC1CCC(OC2CCCC2)CC1 ZINC000517282296 333096840 /nfs/dbraw/zinc/09/68/40/333096840.db2.gz URJOTYKCSCEPJD-OPFPJEHXSA-N 0 3 250.386 3.006 20 30 CGEDHN C=CCCCNC(C)(C)c1nc2ccccc2n1C ZINC000186580101 333163098 /nfs/dbraw/zinc/16/30/98/333163098.db2.gz DBOIWDIPDIURIK-UHFFFAOYSA-N 0 3 257.381 3.364 20 30 CGEDHN CC(C)C[C@]1(CO)CCCN1CC#Cc1ccc(F)cc1 ZINC000191647702 333222771 /nfs/dbraw/zinc/22/27/71/333222771.db2.gz YVYYTRCXCLQMSX-SFHVURJKSA-N 0 3 289.394 3.050 20 30 CGEDHN C(#Cc1ccccc1)CN(C[C@H]1CCCO1)C1CCCC1 ZINC000192042419 333228651 /nfs/dbraw/zinc/22/86/51/333228651.db2.gz YXGVYDGMOOXYGS-LJQANCHMSA-N 0 3 283.415 3.462 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](O)CC(C)(C)C ZINC000227373444 333281769 /nfs/dbraw/zinc/28/17/69/333281769.db2.gz DNOFSZSBBIZPNN-HNNXBMFYSA-N 0 3 277.408 3.138 20 30 CGEDHN C=C[C@H](C)NCc1cc(F)cc(Br)c1 ZINC000229202811 333301752 /nfs/dbraw/zinc/30/17/52/333301752.db2.gz GQLPLGPPWHAVQP-QMMMGPOBSA-N 0 3 258.134 3.252 20 30 CGEDHN CC(C)c1ccc(CCCNC(=O)C(C)C#N)cc1 ZINC000522976787 333302729 /nfs/dbraw/zinc/30/27/29/333302729.db2.gz JBKSJIJRUFJXPO-ZDUSSCGKSA-N 0 3 258.365 3.018 20 30 CGEDHN CCCCC1CCC(CNC(=O)C(C)C#N)CC1 ZINC000522984399 333303275 /nfs/dbraw/zinc/30/32/75/333303275.db2.gz RJNPDJZHVWVOQV-IYXRBSQSSA-N 0 3 250.386 3.259 20 30 CGEDHN C=C(C)COCCNCc1cccc(-c2ccccn2)c1 ZINC000128904700 333726190 /nfs/dbraw/zinc/72/61/90/333726190.db2.gz LJNNWMLGAYIZMS-UHFFFAOYSA-N 0 3 282.387 3.431 20 30 CGEDHN C=C(CC)CN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541024959 333759578 /nfs/dbraw/zinc/75/95/78/333759578.db2.gz VENPQYAKFCFDDP-ZDUSSCGKSA-N 0 3 273.298 3.295 20 30 CGEDHN C[C@@H](CNCc1cccc(C#N)c1)Oc1cccc(F)c1 ZINC000174581444 335159413 /nfs/dbraw/zinc/15/94/13/335159413.db2.gz YJXLZSVHOMQOIE-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN COCC1(CCN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000576226609 335173924 /nfs/dbraw/zinc/17/39/24/335173924.db2.gz NKPOJWDHZNFTEK-LBPRGKRZSA-N 0 3 276.355 3.165 20 30 CGEDHN C=CCOCCCN1CCC[C@H]1c1cccc(C)n1 ZINC000547767633 334115857 /nfs/dbraw/zinc/11/58/57/334115857.db2.gz CXPCEEAPCMXYMW-INIZCTEOSA-N 0 3 260.381 3.120 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CC)C[C@H]1CCCN1CC ZINC000547864501 334128108 /nfs/dbraw/zinc/12/81/08/334128108.db2.gz IZIKSJJCRBQAPJ-MRXNPFEDSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCOCCCN1CCc2cccc(F)c2[C@@H]1C ZINC000548095428 334139390 /nfs/dbraw/zinc/13/93/90/334139390.db2.gz GEFJULYFYDFPEA-ZDUSSCGKSA-N 0 3 263.356 3.338 20 30 CGEDHN CCOCC(C)(C)NCC#Cc1ccccc1Cl ZINC000555583165 334482894 /nfs/dbraw/zinc/48/28/94/334482894.db2.gz SXIFJQVTRJETNO-UHFFFAOYSA-N 0 3 265.784 3.096 20 30 CGEDHN C=CCCCCN1CCN(Cc2csc(CC)n2)CC1 ZINC000576345574 335192500 /nfs/dbraw/zinc/19/25/00/335192500.db2.gz WYMWISVNTHOLDE-UHFFFAOYSA-N 0 3 293.480 3.179 20 30 CGEDHN COc1cccc(CN2CCC(CCC#N)CC2)c1OC ZINC000576399666 335198792 /nfs/dbraw/zinc/19/87/92/335198792.db2.gz YVPQXKOZEVYBMV-UHFFFAOYSA-N 0 3 288.391 3.220 20 30 CGEDHN CC[C@H]1CN(Cc2ccc(CC#N)cc2)CCS1 ZINC000343538199 335208393 /nfs/dbraw/zinc/20/83/93/335208393.db2.gz NLNJNWXJNPBUAQ-HNNXBMFYSA-N 0 3 260.406 3.080 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000192599025 335280886 /nfs/dbraw/zinc/28/08/86/335280886.db2.gz MRMPWSWGODZZKE-QAPCUYQASA-N 0 3 298.430 3.316 20 30 CGEDHN N#Cc1ccc(CNCc2ccc(-n3cccn3)cc2)s1 ZINC000176948201 335342530 /nfs/dbraw/zinc/34/25/30/335342530.db2.gz WXGXQWXQAGLZAA-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)cs2)C12CCCC2 ZINC000177707922 335380443 /nfs/dbraw/zinc/38/04/43/335380443.db2.gz LMSZRXOREIFUMJ-LSDHHAIUSA-N 0 3 290.432 3.447 20 30 CGEDHN CC[C@@H](CC#N)NCCCOc1ccc(Cl)cc1 ZINC000578904593 335687950 /nfs/dbraw/zinc/68/79/50/335687950.db2.gz OYEFVTYVOHWGDT-ZDUSSCGKSA-N 0 3 266.772 3.391 20 30 CGEDHN C[C@H](NCCOc1ccccc1C#N)c1ccccc1 ZINC000181376486 335759563 /nfs/dbraw/zinc/75/95/63/335759563.db2.gz MUJYZIQSHLHWPN-AWEZNQCLSA-N 0 3 266.344 3.288 20 30 CGEDHN CSCC1CCC(NCc2nc(C#N)cs2)CC1 ZINC000386131523 336166781 /nfs/dbraw/zinc/16/67/81/336166781.db2.gz OMPCKVCSYUIZSV-UHFFFAOYSA-N 0 3 281.450 3.026 20 30 CGEDHN Cc1ccc(C[C@H]2CCCN2Cc2ccc(C#N)cn2)cc1 ZINC000581980078 336183266 /nfs/dbraw/zinc/18/32/66/336183266.db2.gz ARTULBLMFAFWQD-LJQANCHMSA-N 0 3 291.398 3.469 20 30 CGEDHN COc1cc(CNCCOc2ccc(C)cc2)ccc1C#N ZINC000440822991 533874701 /nfs/dbraw/zinc/87/47/01/533874701.db2.gz VDDSJKKOKCVWQQ-UHFFFAOYSA-N 0 3 296.370 3.044 20 30 CGEDHN C[C@H](NC[C@@H]1NCCc2ccccc21)c1cccc(C#N)c1 ZINC000423415061 533890380 /nfs/dbraw/zinc/89/03/80/533890380.db2.gz DHAVVTHNKJUHPR-LIRRHRJNSA-N 0 3 291.398 3.096 20 30 CGEDHN Cc1cc(NC(=O)C(C)C(F)(F)F)c(C#N)cc1N(C)C ZINC000415696704 533983874 /nfs/dbraw/zinc/98/38/74/533983874.db2.gz UEERAUMCGJGNJS-VIFPVBQESA-N 0 3 299.296 3.070 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cnccc2C#N)C1 ZINC000359485867 534133859 /nfs/dbraw/zinc/13/38/59/534133859.db2.gz HSHLLEGIIHRDQM-PBHICJAKSA-N 0 3 292.386 3.201 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000351913151 534283655 /nfs/dbraw/zinc/28/36/55/534283655.db2.gz UIYSZUUFPVTEAE-KCJUWKMLSA-N 0 3 288.244 3.095 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000344452050 534284712 /nfs/dbraw/zinc/28/47/12/534284712.db2.gz CKNYPGUNGWYQHK-NOZJJQNGSA-N 0 3 280.318 3.328 20 30 CGEDHN CC[C@H]1CCCCN1CCOc1ccc(C#N)cc1OC ZINC000157308454 523029218 /nfs/dbraw/zinc/02/92/18/523029218.db2.gz LSRHAIYESYMGPP-HNNXBMFYSA-N 0 3 288.391 3.210 20 30 CGEDHN C=CCC(C)(C)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000352546069 527013645 /nfs/dbraw/zinc/01/36/45/527013645.db2.gz OZXFDTHQBLDVJP-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000346976279 527194673 /nfs/dbraw/zinc/19/46/73/527194673.db2.gz ZLKTXTTVOMLLKZ-HUUCEWRRSA-N 0 3 286.419 3.251 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000347684695 527296733 /nfs/dbraw/zinc/29/67/33/527296733.db2.gz PDQRGYCRBMRXHS-URLQWDBASA-N 0 3 279.449 3.441 20 30 CGEDHN C=CCC[C@@H](NCCN(CC)C1CC1)c1ccco1 ZINC000353495858 527448318 /nfs/dbraw/zinc/44/83/18/527448318.db2.gz KDDCKEUVJFUPPD-OAHLLOKOSA-N 0 3 262.397 3.361 20 30 CGEDHN C=CCC[C@H](NCCn1cnnc1C1CC1)c1ccco1 ZINC000353631796 527483901 /nfs/dbraw/zinc/48/39/01/527483901.db2.gz MZOAMODFDAAQHE-AWEZNQCLSA-N 0 3 286.379 3.046 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000353571618 527594768 /nfs/dbraw/zinc/59/47/68/527594768.db2.gz WAGJROXPSPBSTO-MLGOLLRUSA-N 0 3 271.360 3.046 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000353348320 527643489 /nfs/dbraw/zinc/64/34/89/527643489.db2.gz DSKSVHGJNRDLCL-UHFFFAOYSA-N 0 3 288.782 3.095 20 30 CGEDHN CCCCOc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354468684 528668900 /nfs/dbraw/zinc/66/89/00/528668900.db2.gz PCUWYMMKOWRUPJ-OAHLLOKOSA-N 0 3 295.342 3.146 20 30 CGEDHN CCCCOc1ccc(CNC(=O)C(C)C#N)cc1Cl ZINC000347383364 528674469 /nfs/dbraw/zinc/67/44/69/528674469.db2.gz WNJKJZGQGYTLTI-LLVKDONJSA-N 0 3 294.782 3.295 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1cc(C#N)ccc1OC ZINC000091099379 535766568 /nfs/dbraw/zinc/76/65/68/535766568.db2.gz CJLJFOHBSXWELD-AWEZNQCLSA-N 0 3 278.421 3.140 20 30 CGEDHN N#Cc1ccc(-c2ccn(CN3CCC[C@@H]3C3CC3)n2)cc1 ZINC000728559835 571811104 /nfs/dbraw/zinc/81/11/04/571811104.db2.gz LGTGXEVFWQMSRE-GOSISDBHSA-N 0 3 292.386 3.254 20 30 CGEDHN CCC(Cc1ccc(Cl)cc1Cl)=Nn1cnnc1 ZINC000730945700 572386551 /nfs/dbraw/zinc/38/65/51/572386551.db2.gz PHABVQQCVIVVAT-UHFFFAOYSA-N 0 3 283.162 3.442 20 30 CGEDHN CC[C@H](C)CN(C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000732182272 572450739 /nfs/dbraw/zinc/45/07/39/572450739.db2.gz GAHRYNQKGGXGPH-AWEZNQCLSA-N 0 3 282.391 3.357 20 30 CGEDHN C=C(Cl)CN(CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000741054728 572480024 /nfs/dbraw/zinc/48/00/24/572480024.db2.gz UJFQCEZRBWWKPU-JHJVBQTASA-N 0 3 257.805 3.264 20 30 CGEDHN C=CCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741330908 572493254 /nfs/dbraw/zinc/49/32/54/572493254.db2.gz MUQIBALLGMZZNA-UHFFFAOYSA-N 0 3 287.403 3.408 20 30 CGEDHN C=CCCOC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000741329052 572493578 /nfs/dbraw/zinc/49/35/78/572493578.db2.gz SULMWNHMYKGQIH-MRXNPFEDSA-N 0 3 273.376 3.018 20 30 CGEDHN C[C@@H]1CC(N=Nc2nc3ccccc3s2)CCN1C ZINC000741450795 572498701 /nfs/dbraw/zinc/49/87/01/572498701.db2.gz BCGPFOTZSSDTBI-SNVBAGLBSA-N 0 3 274.393 3.178 20 30 CGEDHN CC#CCN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000741780042 572526671 /nfs/dbraw/zinc/52/66/71/572526671.db2.gz GZGFVXSADGGPGB-UHFFFAOYSA-N 0 3 252.361 3.371 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(OCC)cc2)cc1 ZINC000733325344 572556599 /nfs/dbraw/zinc/55/65/99/572556599.db2.gz FGBHKLIRGYSPQL-UHFFFAOYSA-N 0 3 295.382 3.387 20 30 CGEDHN CN(CCC#N)c1ccc(CNCCC(F)(F)F)cc1 ZINC000742390825 572574675 /nfs/dbraw/zinc/57/46/75/572574675.db2.gz QGLMWQVSNWMPFY-UHFFFAOYSA-N 0 3 285.313 3.078 20 30 CGEDHN N#Cc1ccc(CNCC2=Cc3ccccc3OC2)cc1 ZINC000726607619 572588717 /nfs/dbraw/zinc/58/87/17/572588717.db2.gz VINLSASVVWKPSS-UHFFFAOYSA-N 0 3 276.339 3.124 20 30 CGEDHN C=CCCO[C@H](C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000743443512 572661787 /nfs/dbraw/zinc/66/17/87/572661787.db2.gz UTPLGADDSKFDBC-HIFRSBDPSA-N 0 3 294.354 3.392 20 30 CGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000735208717 572708779 /nfs/dbraw/zinc/70/87/79/572708779.db2.gz NRTDIKGWHLGZFN-DSYXLKISSA-N 0 3 290.750 3.344 20 30 CGEDHN C=CCCCN(CC)Cc1cccc2c1OCCO2 ZINC000735491974 572726398 /nfs/dbraw/zinc/72/63/98/572726398.db2.gz MMBJMYHWGLYKDH-UHFFFAOYSA-N 0 3 261.365 3.246 20 30 CGEDHN C(#Cc1ccccc1)CNCc1ccc2ncccc2c1 ZINC000736355690 572783617 /nfs/dbraw/zinc/78/36/17/572783617.db2.gz SAURQKFRVZOROX-UHFFFAOYSA-N 0 3 272.351 3.376 20 30 CGEDHN C#CCN(CC)Cc1ccc(OC(F)(F)F)cc1 ZINC000746457600 572871646 /nfs/dbraw/zinc/87/16/46/572871646.db2.gz LUVWAFMGPASVKV-UHFFFAOYSA-N 0 3 257.255 3.040 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819729108 607085532 /nfs/dbraw/zinc/08/55/32/607085532.db2.gz CLXBGMBXRYZLFV-XQQFMLRXSA-N 0 3 285.395 3.118 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819729108 607085533 /nfs/dbraw/zinc/08/55/33/607085533.db2.gz CLXBGMBXRYZLFV-XQQFMLRXSA-N 0 3 285.395 3.118 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965450504 613325576 /nfs/dbraw/zinc/32/55/76/613325576.db2.gz QIBOROHTNHHIHA-NVXWUHKLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578253 613333052 /nfs/dbraw/zinc/33/30/52/613333052.db2.gz CPDJTAKLSHXRJK-RDJZCZTQSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000974986371 613337609 /nfs/dbraw/zinc/33/76/09/613337609.db2.gz IHRIBPILZNLYDY-MRXNPFEDSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974914090 613341339 /nfs/dbraw/zinc/34/13/39/613341339.db2.gz FWOAUXFHYQZTQQ-CVEARBPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000972613864 613615520 /nfs/dbraw/zinc/61/55/20/613615520.db2.gz CVDBSZNYIDCYDK-BRWVUGGUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000969018177 613684101 /nfs/dbraw/zinc/68/41/01/613684101.db2.gz XJYPRZTUFKPHAP-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1occc1CC ZINC000969014303 613685767 /nfs/dbraw/zinc/68/57/67/613685767.db2.gz WSYCUYZKFSYMDQ-OAHLLOKOSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC000969072670 613687537 /nfs/dbraw/zinc/68/75/37/613687537.db2.gz OXWRJLOEHHOYEU-HNNXBMFYSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)C[C@@H]1C ZINC000947961559 613791203 /nfs/dbraw/zinc/79/12/03/613791203.db2.gz CHUOORYPLVBWHK-WFASDCNBSA-N 0 3 292.810 3.109 20 30 CGEDHN N#Cc1csc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000177691409 618010486 /nfs/dbraw/zinc/01/04/86/618010486.db2.gz JBTSWPQVSAMVQK-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN N#CC1(CCCCN2CCOC[C@H]2CC2CC2)CCC1 ZINC000933205549 618167382 /nfs/dbraw/zinc/16/73/82/618167382.db2.gz ZDUIKYPIHLOZGZ-MRXNPFEDSA-N 0 3 276.424 3.351 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1C[C@@]1(C)Br ZINC000891605007 618241316 /nfs/dbraw/zinc/24/13/16/618241316.db2.gz VXDBRLBHKMQQQW-ZIAGYGMSSA-N 0 3 293.208 3.164 20 30 CGEDHN N#Cc1ccc(CCN(Cc2ccoc2)C2CC2)cc1 ZINC000934004754 618419271 /nfs/dbraw/zinc/41/92/71/618419271.db2.gz SOWHQLGDONHJSU-UHFFFAOYSA-N 0 3 266.344 3.358 20 30 CGEDHN N#Cc1cc(CN2CCc3ccccc3CC2)cs1 ZINC000892042039 618501074 /nfs/dbraw/zinc/50/10/74/618501074.db2.gz LWWMKCJXSSPYHW-UHFFFAOYSA-N 0 3 268.385 3.221 20 30 CGEDHN C=CC[C@@H]1CCN1C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000934463183 618623702 /nfs/dbraw/zinc/62/37/02/618623702.db2.gz UOTOZCZMDLIJMB-WOPDTQHZSA-N 0 3 263.303 3.137 20 30 CGEDHN C#CCCCN[C@H](C)c1nc(Br)ccc1F ZINC000309460894 618699199 /nfs/dbraw/zinc/69/91/99/618699199.db2.gz OTUPXWSALOUGSJ-SECBINFHSA-N 0 3 285.160 3.047 20 30 CGEDHN c1ccc([C@H]2CC(=NNC3CC3)CCN2C2CC2)cc1 ZINC000841631291 618704772 /nfs/dbraw/zinc/70/47/72/618704772.db2.gz FMALGHZNOAMVSB-QGZVFWFLSA-N 0 3 269.392 3.094 20 30 CGEDHN CC(C)(CC#N)CN[C@@H](c1ccccn1)C1CCC1 ZINC000926568139 618748163 /nfs/dbraw/zinc/74/81/63/618748163.db2.gz KRXWOYNZPMODMG-OAHLLOKOSA-N 0 3 257.381 3.452 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1nn(CC)nc1C ZINC000926591657 618755967 /nfs/dbraw/zinc/75/59/67/618755967.db2.gz MZBPWSHTBFWQMM-PBHICJAKSA-N 0 3 298.434 3.444 20 30 CGEDHN CCCCCCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000310856365 618874037 /nfs/dbraw/zinc/87/40/37/618874037.db2.gz NDKHGGBQHBTKCV-GFCCVEGCSA-N 0 3 267.335 3.346 20 30 CGEDHN C[C@@H](NCC1SCCS1)c1ccc(C#N)c(F)c1 ZINC000850560342 618874362 /nfs/dbraw/zinc/87/43/62/618874362.db2.gz JYLIEHHVRGESPS-SECBINFHSA-N 0 3 282.409 3.154 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC001006601948 619022228 /nfs/dbraw/zinc/02/22/28/619022228.db2.gz JVFBEBHVJBOORM-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006745222 619214388 /nfs/dbraw/zinc/21/43/88/619214388.db2.gz LTSCIBWKFZIAHR-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN CC1(C)[C@@H](c2ccccc2Cl)CCN1C[C@H](O)CC#N ZINC000931688088 619233373 /nfs/dbraw/zinc/23/33/73/619233373.db2.gz CLNXJWONVOCFBZ-TZMCWYRMSA-N 0 3 292.810 3.182 20 30 CGEDHN Cc1nc([C@@H]2CCN(CCCCC3(C#N)CCC3)C2)no1 ZINC000931935853 619284639 /nfs/dbraw/zinc/28/46/39/619284639.db2.gz IZVKOHBDACZBAO-CQSZACIVSA-N 0 3 288.395 3.032 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000925067754 619518661 /nfs/dbraw/zinc/51/86/61/619518661.db2.gz QYJOTGXBYITJMU-GOEBONIOSA-N 0 3 299.418 3.100 20 30 CGEDHN C#C[C@@H](NCC1CCC(OC)CC1)c1ccc(F)cc1 ZINC000894575694 619580158 /nfs/dbraw/zinc/58/01/58/619580158.db2.gz USTICUZNFJPQMZ-QWFMPGPPSA-N 0 3 275.367 3.295 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000894598695 619587228 /nfs/dbraw/zinc/58/72/28/619587228.db2.gz GRGMZYMKKAAXSB-LLVKDONJSA-N 0 3 266.435 3.195 20 30 CGEDHN N#Cc1cc(CN2CCC3(CCC(O)CC3)CC2)cs1 ZINC000894667087 619598291 /nfs/dbraw/zinc/59/82/91/619598291.db2.gz FSQLEYCNPXCCLE-UHFFFAOYSA-N 0 3 290.432 3.137 20 30 CGEDHN C#C[C@@H](NCc1ccc(C(F)F)c(F)c1)C1CCOCC1 ZINC000895436835 619828853 /nfs/dbraw/zinc/82/88/53/619828853.db2.gz URIXJMTVHRXSMQ-OAHLLOKOSA-N 0 3 297.320 3.281 20 30 CGEDHN C#CCOc1ccccc1CN1CC[C@H](c2nccs2)C1 ZINC000895583136 619854083 /nfs/dbraw/zinc/85/40/83/619854083.db2.gz KXQCSHGMHNUWNI-HNNXBMFYSA-N 0 3 298.411 3.145 20 30 CGEDHN C=C1CCC(CNCc2nnc(C(C)C)s2)CC1 ZINC000896839227 620075346 /nfs/dbraw/zinc/07/53/46/620075346.db2.gz ZOSAEQMKHYEKEW-UHFFFAOYSA-N 0 3 265.426 3.498 20 30 CGEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CCCc2cccnc21 ZINC000897072438 620135308 /nfs/dbraw/zinc/13/53/08/620135308.db2.gz OCRRKXXCLVCPDP-HOCLYGCPSA-N 0 3 299.418 3.148 20 30 CGEDHN O=C1C=COC2(CCN(Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC000897599765 620406888 /nfs/dbraw/zinc/40/68/88/620406888.db2.gz UYXJADDCPMVQCE-UHFFFAOYSA-N 0 3 296.370 3.006 20 30 CGEDHN Cc1cccc(CC[C@@H](C)NCc2nc(C#N)cs2)c1 ZINC000897629152 620414278 /nfs/dbraw/zinc/41/42/78/620414278.db2.gz RFTJDNKQJPQWSQ-CYBMUJFWSA-N 0 3 285.416 3.434 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000163521242 620515572 /nfs/dbraw/zinc/51/55/72/620515572.db2.gz WNEZTUALXPQWGW-OAHLLOKOSA-N 0 3 285.391 3.116 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)C(F)=C3CCCC3)CCC[C@@H]12 ZINC000990224732 620539583 /nfs/dbraw/zinc/53/95/83/620539583.db2.gz SYTXTCPJEUBWKH-PBHICJAKSA-N 0 3 292.398 3.083 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCc3cccnc32)C1 ZINC000927064492 620569550 /nfs/dbraw/zinc/56/95/50/620569550.db2.gz VTIMDYLILFJMSG-SNPRPXQTSA-N 0 3 255.365 3.131 20 30 CGEDHN C=CC(C)(C)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000898460461 620589923 /nfs/dbraw/zinc/58/99/23/620589923.db2.gz LQVUFZGUOSMRKT-UHFFFAOYSA-N 0 3 269.772 3.499 20 30 CGEDHN C#CCOc1ccc(CNCc2cc(C)ccc2NC)cc1 ZINC000902584012 621380996 /nfs/dbraw/zinc/38/09/96/621380996.db2.gz IXQDIOURPQCRTM-UHFFFAOYSA-N 0 3 294.398 3.339 20 30 CGEDHN CC[C@H](NCc1ccccc1CO)c1cccc(C#N)c1 ZINC000902761828 621429630 /nfs/dbraw/zinc/42/96/30/621429630.db2.gz ANAZJBBDPKDOTQ-SFHVURJKSA-N 0 3 280.371 3.291 20 30 CGEDHN C[C@@H](NC[C@H](C)Oc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902821294 621455068 /nfs/dbraw/zinc/45/50/68/621455068.db2.gz HHNPMDAXEQUQDQ-QWHCGFSZSA-N 0 3 299.349 3.210 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000902960912 621507201 /nfs/dbraw/zinc/50/72/01/621507201.db2.gz ZWVYTZUTOLBYFH-KMFMINBZSA-N 0 3 287.407 3.198 20 30 CGEDHN C[C@H](NC[C@H]1CCCC1(F)F)c1cc(C#N)ccn1 ZINC000903008230 621531436 /nfs/dbraw/zinc/53/14/36/621531436.db2.gz MIRYJBAABQYGQN-CMPLNLGQSA-N 0 3 265.307 3.039 20 30 CGEDHN C=CCC[C@H](NCc1ccn(CC)n1)[C@]1(C)CCCCO1 ZINC000903020432 621541182 /nfs/dbraw/zinc/54/11/82/621541182.db2.gz ZSYMRKPCZKIGHK-IRXDYDNUSA-N 0 3 291.439 3.287 20 30 CGEDHN COC1([C@@H](C)NCC2(C#N)CCCC2)CCCCC1 ZINC000903109610 621584162 /nfs/dbraw/zinc/58/41/62/621584162.db2.gz SODXPDVYHZFLIK-CQSZACIVSA-N 0 3 264.413 3.398 20 30 CGEDHN C=CCC[C@H](NC[C@]1(OC(C)C)CCOC1)c1ccco1 ZINC000903358292 621713680 /nfs/dbraw/zinc/71/36/80/621713680.db2.gz SSZFCDYMUUACEL-DOTOQJQBSA-N 0 3 293.407 3.461 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000911955719 622579545 /nfs/dbraw/zinc/57/95/45/622579545.db2.gz GYHLHGIPELQCJR-GFCCVEGCSA-N 0 3 296.798 3.279 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCSc2ccccc21 ZINC000912039758 622588574 /nfs/dbraw/zinc/58/85/74/622588574.db2.gz HDLFOHKWAPNCPH-KGLIPLIRSA-N 0 3 290.432 3.023 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000912067570 622590824 /nfs/dbraw/zinc/59/08/24/622590824.db2.gz HMPWORKTBJVANE-DLBZAZTESA-N 0 3 286.419 3.206 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(OCC(F)(F)F)c1 ZINC000769960265 625580420 /nfs/dbraw/zinc/58/04/20/625580420.db2.gz ADDKUZIQTRJYJM-LLVKDONJSA-N 0 3 271.282 3.081 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2ccccc2)CC1 ZINC000912214781 622618995 /nfs/dbraw/zinc/61/89/95/622618995.db2.gz OSBDWJXQUAONNS-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1F ZINC000912292575 622627547 /nfs/dbraw/zinc/62/75/47/622627547.db2.gz FVELFLGPSRZGED-IUODEOHRSA-N 0 3 278.371 3.029 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000912352194 622638133 /nfs/dbraw/zinc/63/81/33/622638133.db2.gz MERXCDFUDHHITB-HOCLYGCPSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CC[C@@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912982805 622718056 /nfs/dbraw/zinc/71/80/56/622718056.db2.gz OWLLGNABOOTKBH-CQSZACIVSA-N 0 3 297.402 3.329 20 30 CGEDHN CCCCCCCCCn1cc([C@H](N)CC)nn1 ZINC000229943208 623180506 /nfs/dbraw/zinc/18/05/06/623180506.db2.gz BTJZNTNJQQUQPG-CYBMUJFWSA-N 0 3 252.406 3.439 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cncc(C#N)c1 ZINC000929676281 623504716 /nfs/dbraw/zinc/50/47/16/623504716.db2.gz MZPBESAZWPUPRP-CXAGYDPISA-N 0 3 295.361 3.470 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@H]12 ZINC000992438949 623562725 /nfs/dbraw/zinc/56/27/25/623562725.db2.gz MQVLUYWMXZJLSQ-HHXXYDBFSA-N 0 3 298.430 3.089 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000916912018 624222354 /nfs/dbraw/zinc/22/23/54/624222354.db2.gz IBTIZAKPJSFIBG-CQSZACIVSA-N 0 3 296.326 3.112 20 30 CGEDHN CCCCCCCCCN(C)[C@@H](C)C(=O)N(C)C ZINC000918778192 624374520 /nfs/dbraw/zinc/37/45/20/624374520.db2.gz FOQHOMLVXOMWCW-AWEZNQCLSA-N 0 3 256.434 3.146 20 30 CGEDHN C=CCCSCCNCc1nccc2c1CCCC2 ZINC000922238882 625988037 /nfs/dbraw/zinc/98/80/37/625988037.db2.gz KDXVXGOARBCJAL-UHFFFAOYSA-N 0 3 276.449 3.359 20 30 CGEDHN CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1[O-] ZINC000922598725 626018078 /nfs/dbraw/zinc/01/80/78/626018078.db2.gz AMEFZHKEWLLYOD-UHFFFAOYSA-N 0 3 280.371 3.375 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001005627896 626093918 /nfs/dbraw/zinc/09/39/18/626093918.db2.gz DZSCICCBFSUNMF-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCOCCN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000753765971 626465114 /nfs/dbraw/zinc/46/51/14/626465114.db2.gz DVBIJSSMGXUFMS-CYBMUJFWSA-N 0 3 287.359 3.050 20 30 CGEDHN CC(C)N1CC(=NOCc2ccc(F)cc2)[C@H](C)C1 ZINC000758143881 626830991 /nfs/dbraw/zinc/83/09/91/626830991.db2.gz XIFVZDHSELTAPD-GFCCVEGCSA-N 0 3 264.344 3.058 20 30 CGEDHN CCCCCCCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765193206 627242269 /nfs/dbraw/zinc/24/22/69/627242269.db2.gz MGRUJOJZFMMRBU-INIZCTEOSA-N 0 3 280.456 3.480 20 30 CGEDHN C=CC(C)(C)CCCNCc1ccc(Cl)nn1 ZINC000877803036 635208483 /nfs/dbraw/zinc/20/84/83/635208483.db2.gz CNFRXRJZWALJLG-UHFFFAOYSA-N 0 3 253.777 3.212 20 30 CGEDHN CCCCCCCNCc1ncc(COC)s1 ZINC000771823795 627734505 /nfs/dbraw/zinc/73/45/05/627734505.db2.gz SCRNMVRUFDNLAG-UHFFFAOYSA-N 0 3 256.415 3.350 20 30 CGEDHN C#CCSCCN[C@H](CC)c1ccc(F)cc1F ZINC000773010486 627842015 /nfs/dbraw/zinc/84/20/15/627842015.db2.gz LVWUILQKPJFIBC-CQSZACIVSA-N 0 3 269.360 3.372 20 30 CGEDHN C=C(CC)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000773425545 627882722 /nfs/dbraw/zinc/88/27/22/627882722.db2.gz UFGJCXKYUFEKPS-CABCVRRESA-N 0 3 294.439 3.426 20 30 CGEDHN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000773977203 627934402 /nfs/dbraw/zinc/93/44/02/627934402.db2.gz UTNIFORSEFJGBY-GXTWGEPZSA-N 0 3 286.375 3.406 20 30 CGEDHN C#CCOc1ccccc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000775136876 628066868 /nfs/dbraw/zinc/06/68/68/628066868.db2.gz NXUDBYFNCZZZNJ-CYBMUJFWSA-N 0 3 297.320 3.473 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000775134705 628067138 /nfs/dbraw/zinc/06/71/38/628067138.db2.gz DKVVFFNNYVTMJD-CQSZACIVSA-N 0 3 297.320 3.473 20 30 CGEDHN C#CC[C@@H](NCc1ccc(OC(C)=O)cc1)c1ccccc1 ZINC000775404971 628091765 /nfs/dbraw/zinc/09/17/65/628091765.db2.gz RXLCJQDKRCBGHT-LJQANCHMSA-N 0 3 293.366 3.466 20 30 CGEDHN C=CCC[C@H](NC/C=C(\C)C(=O)OC)c1ccccc1 ZINC000775463666 628097048 /nfs/dbraw/zinc/09/70/48/628097048.db2.gz MUAQNNJFRXBDTA-GRNBYLDVSA-N 0 3 273.376 3.403 20 30 CGEDHN N#CCC[C@@H](NC[C@H](O)c1ccccc1F)c1ccccc1 ZINC000775553441 628105962 /nfs/dbraw/zinc/10/59/62/628105962.db2.gz ONXUHLAAVCOMKY-MSOLQXFVSA-N 0 3 298.361 3.494 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cc2c(s1)CCC2)[C@@H]1CCCO1 ZINC000775573923 628109610 /nfs/dbraw/zinc/10/96/10/628109610.db2.gz LJKFAWFLCARHGQ-XBFCOCLRSA-N 0 3 275.417 3.068 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cc2c(s1)CCC2)[C@H]1CCCO1 ZINC000775573921 628110063 /nfs/dbraw/zinc/11/00/63/628110063.db2.gz LJKFAWFLCARHGQ-KWCYVHTRSA-N 0 3 275.417 3.068 20 30 CGEDHN C[C@@H](NCc1ccc(O)c(F)c1)c1cccc(C#N)c1 ZINC000776165041 628173759 /nfs/dbraw/zinc/17/37/59/628173759.db2.gz WXVJCYCZWYHEBY-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000779188277 628393248 /nfs/dbraw/zinc/39/32/48/628393248.db2.gz KDZOFCUUHFZPQF-GOSISDBHSA-N 0 3 299.414 3.090 20 30 CGEDHN COc1ccc2c(c1)nccc2N1CCC(C)(C#N)CC1 ZINC000779915254 628441705 /nfs/dbraw/zinc/44/17/05/628441705.db2.gz GSWYPHDEIGQQIK-UHFFFAOYSA-N 0 3 281.359 3.373 20 30 CGEDHN CCCCCCCCN(C)Cc1cnc(N(C)C)nc1 ZINC000780327085 628482852 /nfs/dbraw/zinc/48/28/52/628482852.db2.gz WQFGTSIXFSOYOW-UHFFFAOYSA-N 0 3 278.444 3.335 20 30 CGEDHN C#CCCCCCC(=O)Nc1ccccc1CN(C)C ZINC000780362650 628484780 /nfs/dbraw/zinc/48/47/80/628484780.db2.gz VPJDUOQMJAMQAL-UHFFFAOYSA-N 0 3 272.392 3.270 20 30 CGEDHN C#CCCCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000780676896 628509187 /nfs/dbraw/zinc/50/91/87/628509187.db2.gz AAQZAWNUYIGEPY-PKOBYXMFSA-N 0 3 298.430 3.132 20 30 CGEDHN CCC#C[C@H](C)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781973681 628608454 /nfs/dbraw/zinc/60/84/54/628608454.db2.gz KDRWXYTVXFEKFP-AWEZNQCLSA-N 0 3 294.439 3.168 20 30 CGEDHN CC(=NN[C@@H]1CCCC1(C)C)c1ccc(N)cc1C ZINC000782286430 628633817 /nfs/dbraw/zinc/63/38/17/628633817.db2.gz HDZFHFGVOKBVTP-OAHLLOKOSA-N 0 3 259.397 3.470 20 30 CGEDHN C=C(Cl)CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000782768668 628662533 /nfs/dbraw/zinc/66/25/33/628662533.db2.gz ACUYCTXKFXUHBQ-HNNXBMFYSA-N 0 3 265.784 3.496 20 30 CGEDHN C#CCOc1ccc(CNc2nc3ccc(F)cc3[nH]2)cc1 ZINC000784327360 628805642 /nfs/dbraw/zinc/80/56/42/628805642.db2.gz XDUHXMZNVVCANF-UHFFFAOYSA-N 0 3 295.317 3.326 20 30 CGEDHN C=CCCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000786578802 628949319 /nfs/dbraw/zinc/94/93/19/628949319.db2.gz NDDRRZJZLNQLFB-UHFFFAOYSA-N 0 3 254.717 3.256 20 30 CGEDHN C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000787307890 629007800 /nfs/dbraw/zinc/00/78/00/629007800.db2.gz AIAYHGKOINWRAX-CQSZACIVSA-N 0 3 261.365 3.331 20 30 CGEDHN C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000787307890 629007805 /nfs/dbraw/zinc/00/78/05/629007805.db2.gz AIAYHGKOINWRAX-CQSZACIVSA-N 0 3 261.365 3.331 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC000787681783 629022006 /nfs/dbraw/zinc/02/20/06/629022006.db2.gz RLTXPAUOADALDX-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C#C[C@@H](NCCc1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000789307271 629123146 /nfs/dbraw/zinc/12/31/46/629123146.db2.gz VMLALWMSDRRCPX-ZIAGYGMSSA-N 0 3 298.213 3.306 20 30 CGEDHN C=CCC[C@H](NC[C@H](O)c1ccco1)c1ccco1 ZINC000789744300 629165596 /nfs/dbraw/zinc/16/55/96/629165596.db2.gz RKHQGVRZCWTAMO-STQMWFEESA-N 0 3 261.321 3.203 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H](C)Cc2ccccc2)n1 ZINC000789759645 629166099 /nfs/dbraw/zinc/16/60/99/629166099.db2.gz YPPXWDBJRUAYKY-KRWDZBQOSA-N 0 3 295.430 3.217 20 30 CGEDHN C=C(C)[C@@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805916234 629192136 /nfs/dbraw/zinc/19/21/36/629192136.db2.gz DOWFMNHJJOHQKA-CQSZACIVSA-N 0 3 273.376 3.404 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CCOC1)c1nccc2ccccc21 ZINC000792100285 629337395 /nfs/dbraw/zinc/33/73/95/629337395.db2.gz DISLNSIUFFDPQA-XJKSGUPXSA-N 0 3 294.354 3.228 20 30 CGEDHN CCCCCCCCCN1CCN(C(C)=O)C[C@H]1C ZINC000792238830 629351449 /nfs/dbraw/zinc/35/14/49/629351449.db2.gz ZTSIXEOSHXACPE-OAHLLOKOSA-N 0 3 268.445 3.290 20 30 CGEDHN C=CC[C@@H]1CC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000862441079 629373341 /nfs/dbraw/zinc/37/33/41/629373341.db2.gz OEHNATSTLNFOTH-CYBMUJFWSA-N 0 3 261.365 3.189 20 30 CGEDHN C=CC[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000862441079 629373343 /nfs/dbraw/zinc/37/33/43/629373343.db2.gz OEHNATSTLNFOTH-CYBMUJFWSA-N 0 3 261.365 3.189 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000862442281 629374360 /nfs/dbraw/zinc/37/43/60/629374360.db2.gz BFKRPDQOCWZZIT-LBPRGKRZSA-N 0 3 293.794 3.202 20 30 CGEDHN C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862445041 629378453 /nfs/dbraw/zinc/37/84/53/629378453.db2.gz KMOXCUPPABVLTN-LBPRGKRZSA-N 0 3 263.768 3.199 20 30 CGEDHN C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862445041 629378455 /nfs/dbraw/zinc/37/84/55/629378455.db2.gz KMOXCUPPABVLTN-LBPRGKRZSA-N 0 3 263.768 3.199 20 30 CGEDHN C#CCN(CCC(C)(C)C(=O)OC)[C@H]1CCc2ccccc21 ZINC000792761202 629379680 /nfs/dbraw/zinc/37/96/80/629379680.db2.gz JZHARAKMINMIBM-KRWDZBQOSA-N 0 3 299.414 3.198 20 30 CGEDHN CC(C)N(C)c1ccc(C=NN[C@H](C)C(C)(C)C)cn1 ZINC000793113973 629413034 /nfs/dbraw/zinc/41/30/34/629413034.db2.gz CVLSJAIRORBOHU-CYBMUJFWSA-N 0 3 276.428 3.284 20 30 CGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NN[C@H](C)C(C)(C)C ZINC000793117304 629413551 /nfs/dbraw/zinc/41/35/51/629413551.db2.gz XACZQFYXNAWBMH-CYBMUJFWSA-N 0 3 299.422 3.121 20 30 CGEDHN C#CC(C)(C)N(C)C[C@H](OC(C)C)c1ccccc1 ZINC000794529092 629550382 /nfs/dbraw/zinc/55/03/82/629550382.db2.gz BBGZTEITXGXASM-INIZCTEOSA-N 0 3 259.393 3.496 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cn1)c1ccc(C)cc1O ZINC000794814506 629581555 /nfs/dbraw/zinc/58/15/55/629581555.db2.gz LMAXVTWRMHQNGV-INIZCTEOSA-N 0 3 281.359 3.208 20 30 CGEDHN CCCN(CCC)c1ccc(C=NN(C)CCOC)cc1 ZINC000794963439 629607414 /nfs/dbraw/zinc/60/74/14/629607414.db2.gz VHZVIVOOBIPUQF-UHFFFAOYSA-N 0 3 291.439 3.225 20 30 CGEDHN CCc1ccc([C@H](O)CNCc2ccc(C#N)cc2F)cc1 ZINC000796452862 629782994 /nfs/dbraw/zinc/78/29/94/629782994.db2.gz ZPRYMDBMZZJCKG-GOSISDBHSA-N 0 3 298.361 3.083 20 30 CGEDHN C=CCC[C@@H](NC[C@@H](O)CC(C)C)c1ccco1 ZINC000796722352 629820245 /nfs/dbraw/zinc/82/02/45/629820245.db2.gz DBUQABXLTMTLTH-UONOGXRCSA-N 0 3 251.370 3.284 20 30 CGEDHN CC1(C)CC(C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000796818620 629839968 /nfs/dbraw/zinc/83/99/68/629839968.db2.gz OYPARUXBNQOORZ-NSHDSACASA-N 0 3 268.316 3.440 20 30 CGEDHN CC(C)(C(=O)C(C#N)c1cnc2ccccc2n1)C(F)F ZINC000796899741 629856104 /nfs/dbraw/zinc/85/61/04/629856104.db2.gz KQQMTTQVMIQGCK-VIFPVBQESA-N 0 3 289.285 3.097 20 30 CGEDHN C#CCCCCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000839824909 629950638 /nfs/dbraw/zinc/95/06/38/629950638.db2.gz UUOQOPMXTJUUIG-UHFFFAOYSA-N 0 3 276.355 3.019 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000797998313 630013417 /nfs/dbraw/zinc/01/34/17/630013417.db2.gz FYSFSAOXYSSILX-IOASZLSFSA-N 0 3 261.365 3.024 20 30 CGEDHN C#C[C@@H](/N=C\c1ccc(N(CC)CC)cc1O)C(C)C ZINC000798343596 630046285 /nfs/dbraw/zinc/04/62/85/630046285.db2.gz KZJMGPUWVPJKHD-UWCCDQBKSA-N 0 3 272.392 3.315 20 30 CGEDHN CC(CC(C)(C)c1c[nH]c2ccccc21)=Nn1cnnc1 ZINC000799464374 630184974 /nfs/dbraw/zinc/18/49/74/630184974.db2.gz YFLMOUPLGRUBKW-UHFFFAOYSA-N 0 3 281.363 3.351 20 30 CGEDHN C[C@H](C#N)OCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000801921392 630367068 /nfs/dbraw/zinc/36/70/68/630367068.db2.gz BLLYVFGLOQEOIM-IJEWVQPXSA-N 0 3 290.432 3.094 20 30 CGEDHN C#CCCCN[C@H](COC)c1cccc(Cl)c1F ZINC000806141290 630547474 /nfs/dbraw/zinc/54/74/74/630547474.db2.gz HXRLKHUDSYJEJG-CYBMUJFWSA-N 0 3 269.747 3.170 20 30 CGEDHN C=CCCCCCCCCNC(=O)N1CCCN(C)CC1 ZINC000807592845 630595035 /nfs/dbraw/zinc/59/50/35/630595035.db2.gz UZAJHGPQRQHOLC-UHFFFAOYSA-N 0 3 295.471 3.250 20 30 CGEDHN N#CC[C@@H](O)CN1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000809577008 630753636 /nfs/dbraw/zinc/75/36/36/630753636.db2.gz IZAOCXQDLYGOFQ-FWGLOVMOSA-N 0 3 284.403 3.219 20 30 CGEDHN C#Cc1ccc(CNCc2ccccc2COC)cc1 ZINC000809604360 630760080 /nfs/dbraw/zinc/76/00/80/630760080.db2.gz SRWDWTJKMVKVSJ-UHFFFAOYSA-N 0 3 265.356 3.104 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OC)cc2C)cc1 ZINC000809628634 630766709 /nfs/dbraw/zinc/76/67/09/630766709.db2.gz NHGVZWDHWXKRCM-UHFFFAOYSA-N 0 3 265.356 3.275 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H]2CC(C)=C[C@H](C)C2)n1 ZINC000811497873 631075968 /nfs/dbraw/zinc/07/59/68/631075968.db2.gz WWTMENUOJQEDRM-RDJZCZTQSA-N 0 3 285.435 3.331 20 30 CGEDHN CC(=NN[C@H](C)COc1ccccc1)c1ccc(N)cc1C ZINC000811665242 631105284 /nfs/dbraw/zinc/10/52/84/631105284.db2.gz MPIBKVCOAPMLHX-CQSZACIVSA-N 0 3 297.402 3.358 20 30 CGEDHN C#C[C@H](N[C@@H](C)CC1(OC)CCC1)c1ccc(F)cc1 ZINC000812794728 631312904 /nfs/dbraw/zinc/31/29/04/631312904.db2.gz DCDOARIPIWGULU-BBRMVZONSA-N 0 3 275.367 3.437 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1ccc2ccccc2n1 ZINC000815899998 631830730 /nfs/dbraw/zinc/83/07/30/631830730.db2.gz KWPCOWWGPQGPFX-QLFBSQMISA-N 0 3 276.339 3.457 20 30 CGEDHN C[C@H](NCCCC#N)c1cc2c(ccnc2Cl)o1 ZINC000866336930 633085538 /nfs/dbraw/zinc/08/55/38/633085538.db2.gz SXFQRGGHXVXMRN-VIFPVBQESA-N 0 3 263.728 3.436 20 30 CGEDHN C=CCN(C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000823408726 633100389 /nfs/dbraw/zinc/10/03/89/633100389.db2.gz PTMGKQHFZVAACA-AWEZNQCLSA-N 0 3 295.448 3.090 20 30 CGEDHN C[C@@H](CCc1cccnc1)NCC1(C#N)CCCCC1 ZINC000866389665 633117070 /nfs/dbraw/zinc/11/70/70/633117070.db2.gz HWRTXEJQYJGGMC-HNNXBMFYSA-N 0 3 271.408 3.466 20 30 CGEDHN CC(C)C(=O)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000823618515 633128124 /nfs/dbraw/zinc/12/81/24/633128124.db2.gz SYRURWCKCMDKNX-ZDUSSCGKSA-N 0 3 258.365 3.166 20 30 CGEDHN C=CCC[C@@H](NCc1nn(C)cc1C(F)F)C1CC1 ZINC000866567218 633197552 /nfs/dbraw/zinc/19/75/52/633197552.db2.gz MXENNYABHWXAOM-GFCCVEGCSA-N 0 3 269.339 3.192 20 30 CGEDHN CC[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccccc1[O-] ZINC000866617432 633216903 /nfs/dbraw/zinc/21/69/03/633216903.db2.gz JIOMNOKOPZNPGL-AEFFLSMTSA-N 0 3 292.382 3.472 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)[C@H](C)CC ZINC000876560847 634857960 /nfs/dbraw/zinc/85/79/60/634857960.db2.gz OOKZTAOZKLSZTQ-UKRRQHHQSA-N 0 3 294.826 3.284 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCC)c1ccccc1 ZINC000876561850 634858282 /nfs/dbraw/zinc/85/82/82/634858282.db2.gz UWLLBKBEEGECPF-UONOGXRCSA-N 0 3 280.799 3.114 20 30 CGEDHN C=C(C)CCNCc1c(C)nn(-c2ccccn2)c1Cl ZINC000824750769 633282941 /nfs/dbraw/zinc/28/29/41/633282941.db2.gz OFOMXFSXBJPKNK-UHFFFAOYSA-N 0 3 290.798 3.285 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC(C)C)C1CCCC1 ZINC000876599848 634865112 /nfs/dbraw/zinc/86/51/12/634865112.db2.gz LIYOSTLBHMQETE-AWEZNQCLSA-N 0 3 286.847 3.274 20 30 CGEDHN CCN(CC)Cc1ccc(C(=O)Oc2ccc(C#N)cc2)o1 ZINC000825183565 633334330 /nfs/dbraw/zinc/33/43/30/633334330.db2.gz OLJOLVYQBDWAFH-UHFFFAOYSA-N 0 3 298.342 3.212 20 30 CGEDHN C#CCOc1ccc(CNCc2cnc(C)cc2C)cc1 ZINC000825221025 633336869 /nfs/dbraw/zinc/33/68/69/633336869.db2.gz DWNBLTHVTIPMTR-UHFFFAOYSA-N 0 3 280.371 3.000 20 30 CGEDHN C#C[C@H](NC1CC(CF)(CF)C1)c1ccc(F)cc1 ZINC000825955934 633391691 /nfs/dbraw/zinc/39/16/91/633391691.db2.gz UMWLDZALXFVKEZ-AWEZNQCLSA-N 0 3 267.294 3.177 20 30 CGEDHN C#C[C@@H](NC1CC(CF)(CF)C1)c1ccc(F)cc1 ZINC000825955935 633392227 /nfs/dbraw/zinc/39/22/27/633392227.db2.gz UMWLDZALXFVKEZ-CQSZACIVSA-N 0 3 267.294 3.177 20 30 CGEDHN C=CCOCCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000827237849 633473326 /nfs/dbraw/zinc/47/33/26/633473326.db2.gz YAALEYSXCGNTAL-UHFFFAOYSA-N 0 3 269.772 3.036 20 30 CGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000829769663 633778417 /nfs/dbraw/zinc/77/84/17/633778417.db2.gz YVABRPHQGMUBGE-DLBZAZTESA-N 0 3 298.430 3.163 20 30 CGEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000829769665 633779172 /nfs/dbraw/zinc/77/91/72/633779172.db2.gz YVABRPHQGMUBGE-IRXDYDNUSA-N 0 3 298.430 3.163 20 30 CGEDHN N#CC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000123671517 633790723 /nfs/dbraw/zinc/79/07/23/633790723.db2.gz JVDUGFUWYAPTOR-UHFFFAOYSA-N 0 3 283.419 3.412 20 30 CGEDHN C#CCCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000829871835 633805438 /nfs/dbraw/zinc/80/54/38/633805438.db2.gz CBFHCJKDMLRMFF-CQSZACIVSA-N 0 3 273.767 3.377 20 30 CGEDHN C=CCSCCN[C@H](C)c1cc(O)ccc1F ZINC000872046884 633970706 /nfs/dbraw/zinc/97/07/06/633970706.db2.gz NNPWULYQGPDAFN-SNVBAGLBSA-N 0 3 255.358 3.101 20 30 CGEDHN C=CC(C)(C)CCCNCc1cn(C)nc1Cl ZINC000873151182 634258895 /nfs/dbraw/zinc/25/88/95/634258895.db2.gz CBMCKWARLKHKEY-UHFFFAOYSA-N 0 3 255.793 3.156 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2cnccc2C)cc1 ZINC000834889344 634268965 /nfs/dbraw/zinc/26/89/65/634268965.db2.gz WFSRKQNYHYWBLE-HNNXBMFYSA-N 0 3 280.371 3.253 20 30 CGEDHN CC(C)OC1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000873167354 634269408 /nfs/dbraw/zinc/26/94/08/634269408.db2.gz SQGICMYTTLCDJI-UHFFFAOYSA-N 0 3 276.355 3.135 20 30 CGEDHN N#Cc1ccc(CNC2CC(Nc3ccccc3)C2)c(F)c1 ZINC000873188336 634275937 /nfs/dbraw/zinc/27/59/37/634275937.db2.gz GCPVMAIOCRJFCP-UHFFFAOYSA-N 0 3 295.361 3.430 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000873193610 634279081 /nfs/dbraw/zinc/27/90/81/634279081.db2.gz MUZZIMIERPHREQ-QZTJIDSGSA-N 0 3 298.361 3.299 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2c(C)cc(C)cc21 ZINC000876646527 634874616 /nfs/dbraw/zinc/87/46/16/634874616.db2.gz YCAJHSVHGOVZKZ-CQSZACIVSA-N 0 3 292.810 3.053 20 30 CGEDHN CCC[N@H+](Cc1cccc(C#N)n1)Cc1ccccc1[O-] ZINC000876654857 634876147 /nfs/dbraw/zinc/87/61/47/634876147.db2.gz RDDXZMMQIPRWHO-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CCC[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1[O-] ZINC000876654857 634876149 /nfs/dbraw/zinc/87/61/49/634876149.db2.gz RDDXZMMQIPRWHO-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OC(C)(C)C ZINC000876670305 634879112 /nfs/dbraw/zinc/87/91/12/634879112.db2.gz JKSZDLCHLGKPHI-LLVKDONJSA-N 0 3 296.798 3.272 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1sc2c(c1C)CCCC2 ZINC000876680807 634880193 /nfs/dbraw/zinc/88/01/93/634880193.db2.gz JJNMEPWMJXTMTE-LLVKDONJSA-N 0 3 298.839 3.344 20 30 CGEDHN Cc1ccccc1CCNCc1cc(C#N)cnc1Cl ZINC000876882508 634920274 /nfs/dbraw/zinc/92/02/74/634920274.db2.gz KAJVNPYHQTUMCJ-UHFFFAOYSA-N 0 3 285.778 3.247 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@](C)(CC)c1ccc(F)cc1 ZINC000877132942 634996684 /nfs/dbraw/zinc/99/66/84/634996684.db2.gz RRNNQTVLSINMST-DZGCQCFKSA-N 0 3 298.789 3.037 20 30 CGEDHN C[C@@H](CCC1CC1)NCc1cc(C#N)cnc1Cl ZINC000877399686 635035942 /nfs/dbraw/zinc/03/59/42/635035942.db2.gz PRXWZNYUGTZSDM-JTQLQIEISA-N 0 3 263.772 3.275 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CC[C@@H](C)O2)c([O-])c1 ZINC000840710033 635039012 /nfs/dbraw/zinc/03/90/12/635039012.db2.gz NSLLMQFJDNHVFP-XVKBUMFYSA-N 0 3 290.407 3.225 20 30 CGEDHN C#C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000877544426 635082219 /nfs/dbraw/zinc/08/22/19/635082219.db2.gz PKYXHALJLQFAKM-HUUCEWRRSA-N 0 3 261.340 3.047 20 30 CGEDHN CC[C@H](NCc1cc(C#N)cnc1Cl)[C@H]1CCCCO1 ZINC000877618649 635115955 /nfs/dbraw/zinc/11/59/55/635115955.db2.gz BJECUVJVYRXCID-UONOGXRCSA-N 0 3 293.798 3.044 20 30 CGEDHN C=CCCSCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877623661 635118188 /nfs/dbraw/zinc/11/81/88/635118188.db2.gz WNEARXKYXNQQHH-UHFFFAOYSA-N 0 3 251.395 3.100 20 30 CGEDHN C=CCC1(NCc2nc(Cl)cs2)CCOCC1 ZINC000877629050 635121495 /nfs/dbraw/zinc/12/14/95/635121495.db2.gz PUYSHCGDGAURHK-UHFFFAOYSA-N 0 3 272.801 3.011 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000877651110 635132395 /nfs/dbraw/zinc/13/23/95/635132395.db2.gz RWAUAXDEYBYFNG-GFCCVEGCSA-N 0 3 293.794 3.202 20 30 CGEDHN N#Cc1cnc(Cl)c(CN2CCCC3(CC3)CC2)c1 ZINC000877660248 635135258 /nfs/dbraw/zinc/13/52/58/635135258.db2.gz KQFPVNHANKUSFI-UHFFFAOYSA-N 0 3 275.783 3.373 20 30 CGEDHN CC(=O)Nc1ccc2c(c1)CN(CC(C)(C)CCC#N)CC2 ZINC000877817112 635222511 /nfs/dbraw/zinc/22/25/11/635222511.db2.gz QLYIMMYOKSCZJZ-UHFFFAOYSA-N 0 3 299.418 3.333 20 30 CGEDHN CC(=O)[C@](C#N)(CCN(C)CC(C)(C)C)c1ccccc1 ZINC000878038533 635333411 /nfs/dbraw/zinc/33/34/11/635333411.db2.gz LWMMLAQHTFUQHM-GOSISDBHSA-N 0 3 286.419 3.405 20 30 CGEDHN N#CCC1(CN2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC000878625149 635577342 /nfs/dbraw/zinc/57/73/42/635577342.db2.gz MOJRLHWIXPPFKD-SFHVURJKSA-N 0 3 282.387 3.150 20 30 CGEDHN CCc1ccc(CN(C)CCc2cccc(C#N)c2)nc1 ZINC000879432107 635785493 /nfs/dbraw/zinc/78/54/93/635785493.db2.gz CJTWEUCCJVSTDP-UHFFFAOYSA-N 0 3 279.387 3.190 20 30 CGEDHN CN(CCSC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371448 635882311 /nfs/dbraw/zinc/88/23/11/635882311.db2.gz OOEJQLKIDXXSEA-OAHLLOKOSA-N 0 3 292.448 3.055 20 30 CGEDHN COc1ccc(N(C)CCN(C)CCC(C)(C)C#N)cc1 ZINC000844402461 635891249 /nfs/dbraw/zinc/89/12/49/635891249.db2.gz YCQIMFMHDNEEPD-UHFFFAOYSA-N 0 3 289.423 3.003 20 30 CGEDHN Cc1cc(CN2CCC[C@]3(CC3(F)F)C2)ccc1C#N ZINC000844441580 635903526 /nfs/dbraw/zinc/90/35/26/635903526.db2.gz OZWVPIUAZULMFO-HNNXBMFYSA-N 0 3 276.330 3.488 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845732541 636089652 /nfs/dbraw/zinc/08/96/52/636089652.db2.gz QWQUINMMDZRHQJ-STQMWFEESA-N 0 3 253.386 3.005 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CC)s2)CC1 ZINC000106038698 636094394 /nfs/dbraw/zinc/09/43/94/636094394.db2.gz XHQKTMNHFLIBRY-UHFFFAOYSA-N 0 3 292.448 3.081 20 30 CGEDHN C=CCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876736 636113013 /nfs/dbraw/zinc/11/30/13/636113013.db2.gz OEQPLTOSKCNSIZ-ABAIWWIYSA-N 0 3 295.310 3.432 20 30 CGEDHN C#CCN(CC1(Br)CC1)C1CCCCC1 ZINC000846781748 636239958 /nfs/dbraw/zinc/23/99/58/636239958.db2.gz LECJWXXTBNRBNX-UHFFFAOYSA-N 0 3 270.214 3.182 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccccc2OC2CC2)C1 ZINC000847020499 636312048 /nfs/dbraw/zinc/31/20/48/636312048.db2.gz YPFYZWWWPHZWST-AWEZNQCLSA-N 0 3 255.361 3.073 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cnc3ccccc3c2)C1 ZINC000847019644 636313057 /nfs/dbraw/zinc/31/30/57/636313057.db2.gz RZNZOKUWAATPKQ-AWEZNQCLSA-N 0 3 250.345 3.080 20 30 CGEDHN CC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000847024152 636315561 /nfs/dbraw/zinc/31/55/61/636315561.db2.gz IDMSXPQARVJBSX-QZTJIDSGSA-N 0 3 298.361 3.472 20 30 CGEDHN C#C[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000847026607 636317710 /nfs/dbraw/zinc/31/77/10/636317710.db2.gz QDNIQDOEWQHNSY-STQMWFEESA-N 0 3 258.321 3.001 20 30 CGEDHN c1ccc2nc(N=NC3CCCN4CCCC[C@H]34)cnc2c1 ZINC000848403951 636567507 /nfs/dbraw/zinc/56/75/07/636567507.db2.gz GHKCPXKTOMETLP-MRXNPFEDSA-N 0 3 295.390 3.046 20 30 CGEDHN c1ccc2c(c1)cnnc2N=NC1CCCN2CCCC[C@@H]12 ZINC000848399362 636567723 /nfs/dbraw/zinc/56/77/23/636567723.db2.gz OYQPDVXVANXDLD-INIZCTEOSA-N 0 3 295.390 3.046 20 30 CGEDHN CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000848532330 636592790 /nfs/dbraw/zinc/59/27/90/636592790.db2.gz FOXQKJDEELZZFU-UHFFFAOYSA-N 0 3 280.371 3.483 20 30 CGEDHN CCc1cccc(CNCC2(C#N)CCCC2)c1O ZINC000848919715 636691305 /nfs/dbraw/zinc/69/13/05/636691305.db2.gz QVHJYFUFXFKOPY-UHFFFAOYSA-N 0 3 258.365 3.128 20 30 CGEDHN C[C@@H](c1ccccc1F)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885959030 637332876 /nfs/dbraw/zinc/33/28/76/637332876.db2.gz QUFHKQWWCLBPMS-KBPBESRZSA-N 0 3 290.382 3.263 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@@H]1C[C@@]12CCOC2 ZINC000885963892 637335160 /nfs/dbraw/zinc/33/51/60/637335160.db2.gz RUBAVJYKOYKGOT-DOTOQJQBSA-N 0 3 275.367 3.240 20 30 CGEDHN C[C@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886104645 637414697 /nfs/dbraw/zinc/41/46/97/637414697.db2.gz HMNFGXFLJIDBMW-WCQYABFASA-N 0 3 294.345 3.060 20 30 CGEDHN CC(C)(NC[C@@H](O)CC1(C#N)CCC1)c1ccccc1F ZINC000886215107 637460616 /nfs/dbraw/zinc/46/06/16/637460616.db2.gz DIBRDJLAMAGVSH-ZDUSSCGKSA-N 0 3 290.382 3.095 20 30 CGEDHN Cc1ccccc1[C@H](CO)N(C)Cc1cccc(C#N)c1 ZINC000886431751 637530144 /nfs/dbraw/zinc/53/01/44/637530144.db2.gz FWRXZTPLCSLBOB-SFHVURJKSA-N 0 3 280.371 3.032 20 30 CGEDHN C#C[C@](C)(CC)NCc1cccc(OC(F)F)c1 ZINC000852099174 637592941 /nfs/dbraw/zinc/59/29/41/637592941.db2.gz GDKXQGNLANELFI-CQSZACIVSA-N 0 3 253.292 3.180 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2ncccn2)C1 ZINC000886686786 637652691 /nfs/dbraw/zinc/65/26/91/637652691.db2.gz XPNVOTQNEOKBOT-PBHICJAKSA-N 0 3 292.386 3.289 20 30 CGEDHN C#CCCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000852679208 637694788 /nfs/dbraw/zinc/69/47/88/637694788.db2.gz MKTFAZWZKZOLLI-GFCCVEGCSA-N 0 3 272.175 3.030 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000886819623 637706698 /nfs/dbraw/zinc/70/66/98/637706698.db2.gz UVGQVSISIHEQAC-HOCLYGCPSA-N 0 3 290.794 3.213 20 30 CGEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccc(F)cc1F ZINC000886901256 637718550 /nfs/dbraw/zinc/71/85/50/637718550.db2.gz UOHFUEPDMRPGBL-GFCCVEGCSA-N 0 3 269.335 3.117 20 30 CGEDHN N#CCCCN1Cc2ccccc2OC2(CCC2)C1 ZINC000887149918 637763440 /nfs/dbraw/zinc/76/34/40/637763440.db2.gz PINHVYZDAWDFDH-UHFFFAOYSA-N 0 3 256.349 3.107 20 30 CGEDHN Clc1ccc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000853435434 637841002 /nfs/dbraw/zinc/84/10/02/637841002.db2.gz OVVFMGNKTFAFHA-CYBMUJFWSA-N 0 3 278.787 3.151 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(Cl)c1)C(C)C ZINC000302264698 637897247 /nfs/dbraw/zinc/89/72/47/637897247.db2.gz CGIZTLDZDOTMBW-CYBMUJFWSA-N 0 3 251.757 3.096 20 30 CGEDHN C#C[C@H](NCc1cccc(C(F)(F)F)c1)C(C)C ZINC000302422497 637900160 /nfs/dbraw/zinc/90/01/60/637900160.db2.gz UJZOIDQLSLSBAZ-ZDUSSCGKSA-N 0 3 255.283 3.453 20 30 CGEDHN C[C@@H]1OC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000925490340 638510864 /nfs/dbraw/zinc/51/08/64/638510864.db2.gz SSNMTLOEWYROLV-XUJVJEKNSA-N 0 3 297.320 3.070 20 30 CGEDHN N#CCC[C@H](N[C@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000857857102 638579914 /nfs/dbraw/zinc/57/99/14/638579914.db2.gz AAKAZNHXDKYNOG-HOTGVXAUSA-N 0 3 280.375 3.422 20 30 CGEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)C1(Cl)CC1 ZINC000925927031 638655642 /nfs/dbraw/zinc/65/56/42/638655642.db2.gz XCLMJBWCOYMLTQ-LLVKDONJSA-N 0 3 260.768 3.297 20 30 CGEDHN C=CCC1(CN[C@@H](C)c2cc(OC)no2)CCCC1 ZINC000926542656 638783480 /nfs/dbraw/zinc/78/34/80/638783480.db2.gz UIKSOWTWYQBSJY-LBPRGKRZSA-N 0 3 264.369 3.470 20 30 CGEDHN C=CCOCCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000926705893 638801542 /nfs/dbraw/zinc/80/15/42/638801542.db2.gz XUXNAZNWCNBOIO-CQSZACIVSA-N 0 3 281.783 3.094 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000929265051 638913741 /nfs/dbraw/zinc/91/37/41/638913741.db2.gz VLGHVMQMGMSWLN-HOCLYGCPSA-N 0 3 274.408 3.008 20 30 CGEDHN C=CCN(C/C=C(\C)COC)Cc1ccc(OC)cc1 ZINC000929315609 638918028 /nfs/dbraw/zinc/91/80/28/638918028.db2.gz AVEFOZRDKJSFHK-XNTDXEJSSA-N 0 3 275.392 3.276 20 30 CGEDHN CCN(C/C(C)=C\C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000929334276 638919378 /nfs/dbraw/zinc/91/93/78/638919378.db2.gz VAUKRIQISZMMHT-QLKUMGTLSA-N 0 3 286.375 3.060 20 30 CGEDHN CCN(C/C(C)=C/C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000929334277 638919516 /nfs/dbraw/zinc/91/95/16/638919516.db2.gz VAUKRIQISZMMHT-UELRPHRMSA-N 0 3 286.375 3.060 20 30 CGEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)CC(C)(C)O1 ZINC000929348106 638920501 /nfs/dbraw/zinc/92/05/01/638920501.db2.gz NUPVOYGGXBSGAJ-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN CCS[C@H]1CC[C@H](N(C)Cc2cncc(C#N)c2)C1 ZINC000929751355 638946958 /nfs/dbraw/zinc/94/69/58/638946958.db2.gz TVHOJXKUYYHHHV-GJZGRUSLSA-N 0 3 275.421 3.059 20 30 CGEDHN N#CC[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000930217703 638983751 /nfs/dbraw/zinc/98/37/51/638983751.db2.gz ZLKOFEFBTWFPFE-HUUCEWRRSA-N 0 3 278.783 3.045 20 30 CGEDHN Cc1c2ccccc2oc1[C@@H](NC[C@H](O)CC#N)C(C)C ZINC000930223313 638984155 /nfs/dbraw/zinc/98/41/55/638984155.db2.gz WAUJAQZVUGCBHW-CJNGLKHVSA-N 0 3 286.375 3.303 20 30 CGEDHN C[C@](Cc1ccccc1)(NC[C@H](O)CC#N)c1ccccc1 ZINC000930738215 639061350 /nfs/dbraw/zinc/06/13/50/639061350.db2.gz IIQIVTKSCXWWIS-RTBURBONSA-N 0 3 294.398 3.009 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000930978895 639094244 /nfs/dbraw/zinc/09/42/44/639094244.db2.gz SBOMLFFCOJCEPU-OAHLLOKOSA-N 0 3 292.423 3.081 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@@H](C3CCC3)CC2)c1 ZINC000931506778 639161819 /nfs/dbraw/zinc/16/18/19/639161819.db2.gz CXKGLWBSQPNUON-QGZVFWFLSA-N 0 3 269.392 3.355 20 30 CGEDHN CC1(C)CCC[C@](CO)(NCc2ccc(F)cc2C#N)C1 ZINC000859616222 639174391 /nfs/dbraw/zinc/17/43/91/639174391.db2.gz PFNFFSPEZPNFCG-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN CC1(C)CCC[C@@](CO)(NCc2ccc(F)cc2C#N)C1 ZINC000859616225 639174445 /nfs/dbraw/zinc/17/44/45/639174445.db2.gz PFNFFSPEZPNFCG-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@@H](C2CCOCC2)C1 ZINC000933081143 639413128 /nfs/dbraw/zinc/41/31/28/639413128.db2.gz GJKFJDICEDIDIL-QGZVFWFLSA-N 0 3 284.403 3.197 20 30 CGEDHN C[C@H](NCCCC#N)c1cc(Cl)cc2c1OCC2 ZINC000933269588 639434278 /nfs/dbraw/zinc/43/42/78/639434278.db2.gz IRGIEWSFKWMZCP-JTQLQIEISA-N 0 3 264.756 3.229 20 30 CGEDHN C#CCC1(NCc2nc3ccccc3s2)CCC1 ZINC000933294147 639435593 /nfs/dbraw/zinc/43/55/93/639435593.db2.gz GUOQBXLEFCWLON-UHFFFAOYSA-N 0 3 256.374 3.332 20 30 CGEDHN N#Cc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1F ZINC000934696506 639659508 /nfs/dbraw/zinc/65/95/08/639659508.db2.gz GOGLEKQDFGYIAV-KRWDZBQOSA-N 0 3 281.334 3.333 20 30 CGEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080456743 640480089 /nfs/dbraw/zinc/48/00/89/640480089.db2.gz RHQPVAPOPBZIAO-IUCAKERBSA-N 0 3 268.407 3.194 20 30 CGEDHN CS[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080456735 640480833 /nfs/dbraw/zinc/48/08/33/640480833.db2.gz RHQPVAPOPBZIAO-BDAKNGLRSA-N 0 3 268.407 3.194 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2sccc2CC)C1 ZINC001009616447 640960758 /nfs/dbraw/zinc/96/07/58/640960758.db2.gz GMZNYURVMVUTJT-AWEZNQCLSA-N 0 3 292.448 3.081 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001016343773 640995735 /nfs/dbraw/zinc/99/57/35/640995735.db2.gz NDDZAGXYQFRPIS-OAHLLOKOSA-N 0 3 298.386 3.121 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001156319200 805674872 /nfs/dbraw/zinc/67/48/72/805674872.db2.gz PVLOUQUDVHSCOD-HZPDHXFCSA-N 0 3 294.483 3.299 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)CCC(C)(C)C ZINC001156403607 805684628 /nfs/dbraw/zinc/68/46/28/805684628.db2.gz JWZLOQSDXZQKAB-HZPDHXFCSA-N 0 3 294.483 3.299 20 30 CGEDHN C#CCCCCCC(=O)N1CCCC[C@@H]1CN(C)CC=C ZINC001158336054 805941133 /nfs/dbraw/zinc/94/11/33/805941133.db2.gz FPOPAJHWQVTLBW-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CCCC[C@H](C)CC ZINC001158822075 806008409 /nfs/dbraw/zinc/00/84/09/806008409.db2.gz GYUDGALRNZBRBC-CYBMUJFWSA-N 0 3 288.863 3.441 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1c(C)noc1C ZINC001252137567 806023654 /nfs/dbraw/zinc/02/36/54/806023654.db2.gz ZCYJPBRMOSZFCV-OAHLLOKOSA-N 0 3 282.428 3.493 20 30 CGEDHN C=CCC[C@H](O)CNCc1ccc(C)cc1Cl ZINC001252618080 806091516 /nfs/dbraw/zinc/09/15/16/806091516.db2.gz OTWCAGDRFDHWMX-ZDUSSCGKSA-N 0 3 253.773 3.065 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001253234847 806188297 /nfs/dbraw/zinc/18/82/97/806188297.db2.gz GDKUDPFQDZGWNB-FZKCQIBNSA-N 0 3 269.404 3.164 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cncc(F)c1 ZINC001253248971 806195300 /nfs/dbraw/zinc/19/53/00/806195300.db2.gz FHGFHWQZUGBJIC-INIZCTEOSA-N 0 3 280.387 3.198 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H]2CC=CCC2)CC1 ZINC001160882345 806316240 /nfs/dbraw/zinc/31/62/40/806316240.db2.gz LLXBPMRIMZZFLG-KRWDZBQOSA-N 0 3 288.435 3.057 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001160979454 806332594 /nfs/dbraw/zinc/33/25/94/806332594.db2.gz SMJXRMRKJCCNSI-DZGCQCFKSA-N 0 3 286.847 3.051 20 30 CGEDHN C#CCN(Cc1ccc(OC)c(OCCC)c1)CC1CC1 ZINC001254039903 806333610 /nfs/dbraw/zinc/33/36/10/806333610.db2.gz JJZYTRIMBIZNRL-UHFFFAOYSA-N 0 3 287.403 3.329 20 30 CGEDHN CCCN(CCC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC001254629172 806463978 /nfs/dbraw/zinc/46/39/78/806463978.db2.gz YWHWQGAKBPNOSY-UHFFFAOYSA-N 0 3 289.398 3.420 20 30 CGEDHN CC(C)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC001254646650 806471870 /nfs/dbraw/zinc/47/18/70/806471870.db2.gz NTJBLPMJBUDPPI-FMKPAKJESA-N 0 3 257.381 3.451 20 30 CGEDHN C#CC1(Nc2cc(Cl)nc3c2CCNC3)CCCCC1 ZINC001162479469 806595120 /nfs/dbraw/zinc/59/51/20/806595120.db2.gz GZVJFAZXYRDNLU-UHFFFAOYSA-N 0 3 289.810 3.129 20 30 CGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H](C)CCCC ZINC001255328877 806615139 /nfs/dbraw/zinc/61/51/39/806615139.db2.gz NKDFQIFALRCTJW-HOCLYGCPSA-N 0 3 291.439 3.101 20 30 CGEDHN CN(C)[C@@H](C/N=C\c1ccccc1O)c1ccc(F)cc1 ZINC000126915270 799010834 /nfs/dbraw/zinc/01/08/34/799010834.db2.gz YLDGQAFSOGCQOQ-YLRSXTQRSA-N 0 3 286.350 3.253 20 30 CGEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c(C)o1 ZINC000127491409 799014190 /nfs/dbraw/zinc/01/41/90/799014190.db2.gz HSBZJIZQJBSACX-HNNXBMFYSA-N 0 3 296.326 3.166 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1 ZINC000128577850 799019624 /nfs/dbraw/zinc/01/96/24/799019624.db2.gz YNSCVUSHIKMQPA-MRXNPFEDSA-N 0 3 298.386 3.477 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(Br)c(C)c1 ZINC000381341197 799378015 /nfs/dbraw/zinc/37/80/15/799378015.db2.gz XRFMGDWGESDTRK-GFCCVEGCSA-N 0 3 284.197 3.048 20 30 CGEDHN FC1(F)CCCC[C@H]1CNCC#Cc1ccccc1 ZINC000390916787 799475298 /nfs/dbraw/zinc/47/52/98/799475298.db2.gz BQXNSHKIKXZFDN-HNNXBMFYSA-N 0 3 263.331 3.453 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(OCC)c1)C(C)(C)C ZINC000702249882 799907253 /nfs/dbraw/zinc/90/72/53/799907253.db2.gz CMMRTSQJBMRFTB-MRXNPFEDSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@H](NCc1cc2ccccc2[nH]c1=O)C(C)(C)C ZINC000702308076 799907878 /nfs/dbraw/zinc/90/78/78/799907878.db2.gz RJEGSYRZURDZIG-HNNXBMFYSA-N 0 3 268.360 3.078 20 30 CGEDHN C#C[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)(C)C ZINC000702294246 799908556 /nfs/dbraw/zinc/90/85/56/799908556.db2.gz MTADVZOGJKUENU-CYBMUJFWSA-N 0 3 281.783 3.192 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(C#N)c(F)c1 ZINC000709991145 800026500 /nfs/dbraw/zinc/02/65/00/800026500.db2.gz QEJDIOMGHJOOKM-NSHDSACASA-N 0 3 259.328 3.115 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cn(C)nc1Br ZINC000712406771 800086857 /nfs/dbraw/zinc/08/68/57/800086857.db2.gz ZFZNZWHWGOAYNZ-SNVBAGLBSA-N 0 3 286.217 3.017 20 30 CGEDHN C=CCC[C@@H](C)NCc1ncc(Br)s1 ZINC000714912724 800130093 /nfs/dbraw/zinc/13/00/93/800130093.db2.gz LYABQTNYJYHMCL-MRVPVSSYSA-N 0 3 275.215 3.350 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2cncc(C#N)c2)cc1 ZINC000721514721 800291167 /nfs/dbraw/zinc/29/11/67/800291167.db2.gz BAHRVTMZMOKIJH-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN CCC1(CC)CCCN(Cc2cncc(C#N)c2)C1 ZINC000721543074 800292170 /nfs/dbraw/zinc/29/21/70/800292170.db2.gz DIQNKXQVWHPHFL-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000809541734 800443399 /nfs/dbraw/zinc/44/33/99/800443399.db2.gz OVRCXHUWKPJWJZ-UHFFFAOYSA-N 0 3 293.366 3.071 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024770931 800734561 /nfs/dbraw/zinc/73/45/61/800734561.db2.gz ZSHJVHJSBDMSTL-ULQDDVLXSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027963480 800826446 /nfs/dbraw/zinc/82/64/46/800826446.db2.gz LVBAMORWUCMGLE-IAGOWNOFSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107846 800832043 /nfs/dbraw/zinc/83/20/43/800832043.db2.gz CTBYJMNPGXSREZ-KRWDZBQOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC001028302097 800839730 /nfs/dbraw/zinc/83/97/30/800839730.db2.gz XMVQVCQQOCJJAP-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001032808456 800935785 /nfs/dbraw/zinc/93/57/85/800935785.db2.gz ZHYJDUGPLRWBFR-PMPSAXMXSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033093167 800952822 /nfs/dbraw/zinc/95/28/22/800952822.db2.gz XJMDHKZMDJXRHO-ARFHVFGLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001033592769 800968996 /nfs/dbraw/zinc/96/89/96/800968996.db2.gz CWMDVPIKRYTIIF-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001033592773 800969910 /nfs/dbraw/zinc/96/99/10/800969910.db2.gz CWMDVPIKRYTIIF-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033706070 800976951 /nfs/dbraw/zinc/97/69/51/800976951.db2.gz VFEFUNMEEVHWLT-UYSNPLJNSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034225134 801012701 /nfs/dbraw/zinc/01/27/01/801012701.db2.gz FGUSBTPBXAJIBD-FUHWJXTLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034275089 801014022 /nfs/dbraw/zinc/01/40/22/801014022.db2.gz ABMKRMHQYNGGKW-PQUAAJSLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034376945 801021397 /nfs/dbraw/zinc/02/13/97/801021397.db2.gz QIUAQLNXDZPHSQ-GPANFISMSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038658580 801130667 /nfs/dbraw/zinc/13/06/67/801130667.db2.gz PPBKDNOBIJHCHF-AWEZNQCLSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038929691 801136071 /nfs/dbraw/zinc/13/60/71/801136071.db2.gz LIBMPORHYZSMGX-CQSZACIVSA-N 0 3 294.345 3.004 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001038940497 801138803 /nfs/dbraw/zinc/13/88/03/801138803.db2.gz ZFPZLKBAUHOPOG-SFHVURJKSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc(C)c2C)C1 ZINC001046812031 801325508 /nfs/dbraw/zinc/32/55/08/801325508.db2.gz IUYCQVOCIGCTSZ-SFHVURJKSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001050192978 801399223 /nfs/dbraw/zinc/39/92/23/801399223.db2.gz XAZUZEHBQWRKNS-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2sccc2C)CC[C@@H]1C ZINC001071315229 801525963 /nfs/dbraw/zinc/52/59/63/801525963.db2.gz UJUODKCIFNMEGU-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071714813 801546629 /nfs/dbraw/zinc/54/66/29/801546629.db2.gz BBMHNYUCNAMLBZ-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@H]1C ZINC001072006390 801557967 /nfs/dbraw/zinc/55/79/67/801557967.db2.gz SNSMZHCLGHWBLU-VQHPVUNQSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001076520687 801618853 /nfs/dbraw/zinc/61/88/53/801618853.db2.gz UAWXYFUQRHBTMM-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001080560743 801655322 /nfs/dbraw/zinc/65/53/22/801655322.db2.gz YTPRQRMLMDIVJJ-ZYHUDNBSSA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085804364 801704942 /nfs/dbraw/zinc/70/49/42/801704942.db2.gz HQTKNHRTJNRDFK-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CC[C@H](C)F)CC1 ZINC001085800762 801705838 /nfs/dbraw/zinc/70/58/38/801705838.db2.gz BGSDMACCOIQAJD-HOCLYGCPSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001085993394 801719699 /nfs/dbraw/zinc/71/96/99/801719699.db2.gz JZHBYPNCZALGAA-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]2CC)C1 ZINC001086469602 801729098 /nfs/dbraw/zinc/72/90/98/801729098.db2.gz PQHUYNPCPVWLAY-KBUPBQIOSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001088458903 801793711 /nfs/dbraw/zinc/79/37/11/801793711.db2.gz SNVWDHAGSJDNPJ-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC=CCC1)C2 ZINC001097653690 801901690 /nfs/dbraw/zinc/90/16/90/801901690.db2.gz OJAGESIOIJPZJT-HZMVEIRTSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC=CCC1)C2 ZINC001098425103 801910050 /nfs/dbraw/zinc/91/00/50/801910050.db2.gz QHDLLTPYODJYML-ZACQAIPSSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC ZINC001098916775 801919862 /nfs/dbraw/zinc/91/98/62/801919862.db2.gz UFJMXVHPSXCUMG-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC(C)C ZINC001098895642 801921001 /nfs/dbraw/zinc/92/10/01/801921001.db2.gz VZWFUCOSEOVGAA-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CCC ZINC001098983828 801924758 /nfs/dbraw/zinc/92/47/58/801924758.db2.gz UJRVAURYSRZBDH-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CC[C@H](C)CC)C1 ZINC001100775620 801963881 /nfs/dbraw/zinc/96/38/81/801963881.db2.gz AVBYBMBHACNLMH-LMWSTFAQSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(CC)CC)C2 ZINC001109892745 802127328 /nfs/dbraw/zinc/12/73/28/802127328.db2.gz FYKMPEFQVBCEBL-PMPSAXMXSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110605992 802147114 /nfs/dbraw/zinc/14/71/14/802147114.db2.gz QUQAVBLJDCIPCE-OAGGEKHMSA-N 0 3 276.424 3.030 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C(C)=C2CCCC2)CC1 ZINC001112761927 802186969 /nfs/dbraw/zinc/18/69/69/802186969.db2.gz RNZAIHHRWDCANR-HNNXBMFYSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113244161 802209768 /nfs/dbraw/zinc/20/97/68/802209768.db2.gz VLZNRKVPVZNMQB-OAHLLOKOSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC(CC)CC)CC1 ZINC001113462823 802222359 /nfs/dbraw/zinc/22/23/59/802222359.db2.gz POSUHCKSLDSRIW-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCCCC ZINC001115318569 802256900 /nfs/dbraw/zinc/25/69/00/802256900.db2.gz VKLNKXUYDTYSML-MUQADHOPSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H]2C[C@H]2C)CCCCC1 ZINC001115711057 802274143 /nfs/dbraw/zinc/27/41/43/802274143.db2.gz TZYXJIJTFVULRG-OCCSQVGLSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccsc2)CC1 ZINC001266384377 808254232 /nfs/dbraw/zinc/25/42/32/808254232.db2.gz GGKGPUCGJTZSPP-UHFFFAOYSA-N 0 3 292.448 3.251 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CCN(C[C@@H](F)CC)CC1 ZINC001279137172 809165343 /nfs/dbraw/zinc/16/53/43/809165343.db2.gz RSBNYEOKFILORW-HOCLYGCPSA-N 0 3 298.446 3.308 20 30 CGEDHN N#CCC1CCN(Cc2ccccc2OCC(F)F)CC1 ZINC001119509657 802674863 /nfs/dbraw/zinc/67/48/63/802674863.db2.gz IQWOEMNJXWCNKI-UHFFFAOYSA-N 0 3 294.345 3.456 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1OC(C)(C)C ZINC001121882229 802849640 /nfs/dbraw/zinc/84/96/40/802849640.db2.gz WYBJNYOEDQDRPO-CYBMUJFWSA-N 0 3 290.407 3.486 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001122609906 802877025 /nfs/dbraw/zinc/87/70/25/802877025.db2.gz OUQCVADXGRENNM-KBUPBQIOSA-N 0 3 285.391 3.203 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC001123232643 802919407 /nfs/dbraw/zinc/91/94/07/802919407.db2.gz BHDOQGKMASNZLP-ZDUSSCGKSA-N 0 3 271.364 3.050 20 30 CGEDHN C[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccco1 ZINC001123475302 802947908 /nfs/dbraw/zinc/94/79/08/802947908.db2.gz FFRUIDNCBWLXQB-ONGXEEELSA-N 0 3 290.269 3.323 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC001125878796 803078063 /nfs/dbraw/zinc/07/80/63/803078063.db2.gz HQDRJBUARIJBOA-GOEBONIOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCC2CCCC2)CC[C@H]1C ZINC001131764704 803343635 /nfs/dbraw/zinc/34/36/35/803343635.db2.gz MFXVQSLCHVYEKC-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131817382 803348245 /nfs/dbraw/zinc/34/82/45/803348245.db2.gz MLSPBQRREDPLJM-CABCVRRESA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131900345 803355733 /nfs/dbraw/zinc/35/57/33/803355733.db2.gz XCYCLHZJTOIRKQ-HUUCEWRRSA-N 0 3 280.456 3.358 20 30 CGEDHN C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001131976436 803362760 /nfs/dbraw/zinc/36/27/60/803362760.db2.gz KMLJIBOJAIIKKT-IAGOWNOFSA-N 0 3 290.451 3.115 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CC2(C)CCCC2)CC[C@H]1C ZINC001132014360 803366625 /nfs/dbraw/zinc/36/66/25/803366625.db2.gz VCTWEILPOOHERL-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CC2(C)CCCC2)CC[C@H]1C ZINC001132014358 803367645 /nfs/dbraw/zinc/36/76/45/803367645.db2.gz VCTWEILPOOHERL-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(C)C)CC[C@H]1C ZINC001132319054 803395195 /nfs/dbraw/zinc/39/51/95/803395195.db2.gz UBTFZBGFJJZMLY-HZPDHXFCSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001132671565 803425569 /nfs/dbraw/zinc/42/55/69/803425569.db2.gz WHCIQQRUCIILHV-KBPBESRZSA-N 0 3 292.398 3.195 20 30 CGEDHN C#CCN(C)Cc1cccc(-c2ccc(OC)cc2)c1 ZINC001138614618 803981011 /nfs/dbraw/zinc/98/10/11/803981011.db2.gz BFWGKXUVDCOBDQ-UHFFFAOYSA-N 0 3 265.356 3.427 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCc3c(O)cccc3C2)c1[O-] ZINC001138625321 803982861 /nfs/dbraw/zinc/98/28/61/803982861.db2.gz JFTAZHACQCDXFU-UHFFFAOYSA-N 0 3 295.382 3.385 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCc3c(O)cccc3C2)c1[O-] ZINC001138625321 803982867 /nfs/dbraw/zinc/98/28/67/803982867.db2.gz JFTAZHACQCDXFU-UHFFFAOYSA-N 0 3 295.382 3.385 20 30 CGEDHN C=CCc1cccc(CN2CCc3c(O)cccc3C2)c1O ZINC001138625321 803982872 /nfs/dbraw/zinc/98/28/72/803982872.db2.gz JFTAZHACQCDXFU-UHFFFAOYSA-N 0 3 295.382 3.385 20 30 CGEDHN C=CCc1cccc(C[N@H+](CCC)CCCN(C)C)c1[O-] ZINC001138629899 803984896 /nfs/dbraw/zinc/98/48/96/803984896.db2.gz KEWXGLCXDAKLRG-UHFFFAOYSA-N 0 3 290.451 3.284 20 30 CGEDHN C=CCc1cccc(C[N@@H+](CCC)CCCN(C)C)c1[O-] ZINC001138629899 803984902 /nfs/dbraw/zinc/98/49/02/803984902.db2.gz KEWXGLCXDAKLRG-UHFFFAOYSA-N 0 3 290.451 3.284 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1[O-] ZINC001138631344 803986415 /nfs/dbraw/zinc/98/64/15/803986415.db2.gz PWZVAPYIOFDKLV-CZUORRHYSA-N 0 3 275.392 3.120 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1[O-] ZINC001138631344 803986422 /nfs/dbraw/zinc/98/64/22/803986422.db2.gz PWZVAPYIOFDKLV-CZUORRHYSA-N 0 3 275.392 3.120 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001139029012 804112184 /nfs/dbraw/zinc/11/21/84/804112184.db2.gz NGUZUXWIEHEVAS-CRAIPNDOSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@]2(C1)CCCCO2 ZINC001139028773 804112684 /nfs/dbraw/zinc/11/26/84/804112684.db2.gz BXKIMJBNIDGUCI-SFHVURJKSA-N 0 3 287.403 3.396 20 30 CGEDHN C=CCOc1ccccc1CN(CC)CCCC(=O)OC ZINC001139029432 804114510 /nfs/dbraw/zinc/11/45/10/804114510.db2.gz XWNVXCBWQCNPLJ-UHFFFAOYSA-N 0 3 291.391 3.027 20 30 CGEDHN Cc1n[nH]c(C)c1CN1CCC(C#Cc2ccccc2)CC1 ZINC001139103102 804128072 /nfs/dbraw/zinc/12/80/72/804128072.db2.gz WBASQUADPZXTOP-UHFFFAOYSA-N 0 3 293.414 3.290 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1F ZINC001139526662 804201785 /nfs/dbraw/zinc/20/17/85/804201785.db2.gz DPIUHFZXVMKACU-BETUJISGSA-N 0 3 280.293 3.174 20 30 CGEDHN CCCCCCCCCC[C@H](C)N[C@H]1CNCCC1=O ZINC001246287841 804261074 /nfs/dbraw/zinc/26/10/74/804261074.db2.gz GJYDXHFKFRFMNC-HOTGVXAUSA-N 0 3 282.472 3.426 20 30 CGEDHN C=CCn1cc(CN2CCCC3(CC(F)C3)CC2)cn1 ZINC001139770795 804278474 /nfs/dbraw/zinc/27/84/74/804278474.db2.gz BETQGYRTKZTFBL-UHFFFAOYSA-N 0 3 277.387 3.173 20 30 CGEDHN N#Cc1cc(F)cc(CN2CC[C@H]3CCC[C@H]3C2)c1 ZINC001139877351 804307845 /nfs/dbraw/zinc/30/78/45/804307845.db2.gz HCCKVLXITKJRBE-CABCVRRESA-N 0 3 258.340 3.319 20 30 CGEDHN C#CC1CCN(Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001140404028 804430474 /nfs/dbraw/zinc/43/04/74/804430474.db2.gz QIDGSIJZMZPBKB-UHFFFAOYSA-N 0 3 295.361 3.128 20 30 CGEDHN C[C@H]1CCN(Cc2cccc(C#N)c2Cl)CC[C@]1(C)O ZINC001140808251 804525850 /nfs/dbraw/zinc/52/58/50/804525850.db2.gz NORONLKCQBYPPI-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN C#CC1CCN(Cc2ccc(C(F)(F)F)nc2C)CC1 ZINC001141434932 804641006 /nfs/dbraw/zinc/64/10/06/804641006.db2.gz WRQPCONRRHFFAM-UHFFFAOYSA-N 0 3 282.309 3.254 20 30 CGEDHN Fc1ccc2nc(CN3CCC(S)CC3)ccc2c1 ZINC001141649393 804661184 /nfs/dbraw/zinc/66/11/84/804661184.db2.gz UAWIIMPFEIWOAO-UHFFFAOYSA-N 0 3 276.380 3.268 20 30 CGEDHN CCCCCCCCNC(=S)N[C@@]1(C)CCCN(C)C1 ZINC001247185908 804676460 /nfs/dbraw/zinc/67/64/60/804676460.db2.gz BPRXIQUUXJKOTM-INIZCTEOSA-N 0 3 299.528 3.295 20 30 CGEDHN N#Cc1ccc2c(CN3CC[C@@H]4OCCC[C@@H]4C3)c[nH]c2c1 ZINC001142912005 804783440 /nfs/dbraw/zinc/78/34/40/804783440.db2.gz RGDQAZQWQPUSSV-KDOFPFPSSA-N 0 3 295.386 3.040 20 30 CGEDHN N#Cc1ccc2c(CN3CCC[C@@H]4C[C@@H]43)c[nH]c2c1 ZINC001142925676 804784668 /nfs/dbraw/zinc/78/46/68/804784668.db2.gz AZVVYAGHCBHDGR-WBMJQRKESA-N 0 3 251.333 3.024 20 30 CGEDHN CC(C)(C)c1cccc(CN2CCC(C#N)CC2)c1O ZINC001143103627 804801367 /nfs/dbraw/zinc/80/13/67/804801367.db2.gz HVIIKOBMEYSNGR-UHFFFAOYSA-N 0 3 272.392 3.425 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CCCC[C@@H](C)CC)C2)C1 ZINC001147636777 805142160 /nfs/dbraw/zinc/14/21/60/805142160.db2.gz NYTQBMNGPDEEMY-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN CC1(F)CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249426618 805147596 /nfs/dbraw/zinc/14/75/96/805147596.db2.gz ZOQPVJMFODFEPI-UHFFFAOYSA-N 0 3 271.339 3.364 20 30 CGEDHN CCCCCCCC[C@H](C)C(=O)NCCNCCF ZINC001151847869 805316968 /nfs/dbraw/zinc/31/69/68/805316968.db2.gz APXYXBKRDUURAN-AWEZNQCLSA-N 0 3 274.424 3.048 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCC[C@@H](C)CC ZINC001153571262 805403042 /nfs/dbraw/zinc/40/30/42/805403042.db2.gz VWFYEPTYAQCRAV-DLBZAZTESA-N 0 3 294.483 3.443 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCC[C@@H](C)CCC ZINC001153566789 805403483 /nfs/dbraw/zinc/40/34/83/805403483.db2.gz MEOQKIJLAOKEHT-DLBZAZTESA-N 0 3 294.483 3.443 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1CCCCCCC1 ZINC001154269783 805444815 /nfs/dbraw/zinc/44/48/15/805444815.db2.gz VRQAMYQNVRPAEA-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](CC)CCCC ZINC001154368608 805452861 /nfs/dbraw/zinc/45/28/61/805452861.db2.gz XZNXZPICXQKGTL-CVEARBPZSA-N 0 3 280.456 3.053 20 30 CGEDHN CCCC(CCC)NC(=N)c1ccc(Cl)cn1 ZINC001257329901 807110684 /nfs/dbraw/zinc/11/06/84/807110684.db2.gz UUNHHSZBUJNCSD-UHFFFAOYSA-N 0 3 253.777 3.409 20 30 CGEDHN CCCC[C@H](CC)NC(=N)c1ccc(Cl)cn1 ZINC001257411741 807142754 /nfs/dbraw/zinc/14/27/54/807142754.db2.gz YXENMYIQJJDIDJ-NSHDSACASA-N 0 3 253.777 3.409 20 30 CGEDHN C[C@@H](c1ccccc1)N(CCO)Cc1ccc(F)c(C#N)c1 ZINC001168308203 807377296 /nfs/dbraw/zinc/37/72/96/807377296.db2.gz FUFWKEJWTLVBJD-AWEZNQCLSA-N 0 3 298.361 3.253 20 30 CGEDHN N#CC1(CN[C@@H]2Cc3cccc(Cl)c3C2)CCCC1 ZINC001168680986 807474743 /nfs/dbraw/zinc/47/47/43/807474743.db2.gz YRDRRDJKTLDNAY-CYBMUJFWSA-N 0 3 274.795 3.481 20 30 CGEDHN C[C@H]1C[C@@H](NCc2ncc(C#N)s2)CC(C)(C)C1 ZINC001258689420 807545960 /nfs/dbraw/zinc/54/59/60/807545960.db2.gz GBVJYMZUGVYBNA-WDEREUQCSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001258725138 807573405 /nfs/dbraw/zinc/57/34/05/807573405.db2.gz IFRXDZCDAGRXGE-KGLIPLIRSA-N 0 3 282.428 3.282 20 30 CGEDHN C=C[C@@H](N[C@H](C)CC(=O)N(CC)CC)c1ccccc1 ZINC001169456514 807646174 /nfs/dbraw/zinc/64/61/74/807646174.db2.gz KNNAQJIBHXUGNL-GDBMZVCRSA-N 0 3 274.408 3.150 20 30 CGEDHN COc1ccc(Nc2ccc3c(c2)CN(C)CC3)c(C#N)c1 ZINC001212786277 815137524 /nfs/dbraw/zinc/13/75/24/815137524.db2.gz NDLYYAWIEYIIBZ-UHFFFAOYSA-N 0 3 293.370 3.298 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001169720381 807697973 /nfs/dbraw/zinc/69/79/73/807697973.db2.gz RGAXBYIZQLUVBL-KGLIPLIRSA-N 0 3 286.847 3.051 20 30 CGEDHN C[C@@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170379193 807832522 /nfs/dbraw/zinc/83/25/22/807832522.db2.gz SOWVIUDNPFQLML-FAEJEUNOSA-N 0 3 284.403 3.111 20 30 CGEDHN CCn1nnc(C)c1CN[C@H](CCCC#N)c1ccccc1 ZINC001170622682 807867120 /nfs/dbraw/zinc/86/71/20/807867120.db2.gz CNJVJFIXYLKKEK-MRXNPFEDSA-N 0 3 297.406 3.131 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)CC1=CCSC1 ZINC001263161319 807937423 /nfs/dbraw/zinc/93/74/23/807937423.db2.gz BTRLSYBEIFLSJD-OAHLLOKOSA-N 0 3 298.496 3.196 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(C)(C)C)nc1 ZINC001263255574 807942409 /nfs/dbraw/zinc/94/24/09/807942409.db2.gz DSGMQNIXXCECEZ-CYBMUJFWSA-N 0 3 275.396 3.001 20 30 CGEDHN N#Cc1ccccc1CN[C@@H]1CCc2cccc(F)c2C1 ZINC001170957810 807946123 /nfs/dbraw/zinc/94/61/23/807946123.db2.gz SGCVVBCEFOAGPQ-MRXNPFEDSA-N 0 3 280.346 3.344 20 30 CGEDHN C=C(C)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC001263332087 807948023 /nfs/dbraw/zinc/94/80/23/807948023.db2.gz HCOWIJCDNOIGGG-LLVKDONJSA-N 0 3 254.289 3.360 20 30 CGEDHN COC(=O)c1ccc(C(=N)Nc2c(C)cc(C)cc2C)cc1 ZINC001170985703 807952250 /nfs/dbraw/zinc/95/22/50/807952250.db2.gz WEBQSZDAWYLTTA-UHFFFAOYSA-N 0 3 296.370 3.435 20 30 CGEDHN Cc1cnc(CN[C@H](C)Cc2cccc(C#N)c2)s1 ZINC001171191526 808005576 /nfs/dbraw/zinc/00/55/76/808005576.db2.gz AQXKUZUIJLFQQW-LLVKDONJSA-N 0 3 271.389 3.044 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NC1(CC#N)CCCC1 ZINC001171202561 808009087 /nfs/dbraw/zinc/00/90/87/808009087.db2.gz CWJQGSBOBBVGFK-CQSZACIVSA-N 0 3 267.376 3.305 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N(C)Cc1cncs1 ZINC001171230041 808013895 /nfs/dbraw/zinc/01/38/95/808013895.db2.gz RVBXNRLHZVADNJ-GFCCVEGCSA-N 0 3 271.389 3.078 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)Nc1cncn1C ZINC001171371870 808037752 /nfs/dbraw/zinc/03/77/52/808037752.db2.gz BPYFJDQBJTYYHC-LBPRGKRZSA-N 0 3 257.337 3.158 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001264370956 808060974 /nfs/dbraw/zinc/06/09/74/808060974.db2.gz MYPIXOUZKOMKNI-JBMMNVDBSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@](C)(F)CCCC)CC1 ZINC001265194638 808118262 /nfs/dbraw/zinc/11/82/62/808118262.db2.gz JWQMZVAXRCRKBU-MRXNPFEDSA-N 0 3 284.419 3.014 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)/C=C/C(C)(C)C)CC1 ZINC001265337551 808132878 /nfs/dbraw/zinc/13/28/78/808132878.db2.gz NKUCXMDCEXUTPH-DHZHZOJOSA-N 0 3 292.467 3.478 20 30 CGEDHN COc1cccc(F)c1CN[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295883 808218990 /nfs/dbraw/zinc/21/89/90/808218990.db2.gz VKFCWTSSPHQUCV-ZDUSSCGKSA-N 0 3 298.361 3.427 20 30 CGEDHN CCCCCCC[C@H](CC)N1CCOC[C@@H]1COC ZINC001172362368 808256938 /nfs/dbraw/zinc/25/69/38/808256938.db2.gz WQOXOUDZMQGHAC-HOTGVXAUSA-N 0 3 271.445 3.473 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCC ZINC001266496659 808276857 /nfs/dbraw/zinc/27/68/57/808276857.db2.gz VDINMZXLVOBHSU-ZACQAIPSSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN(CCNC(=O)C1(C)CCC(C)CC1)C1CC1 ZINC001266621343 808297686 /nfs/dbraw/zinc/29/76/86/808297686.db2.gz AXCSXFJANQRJCD-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)c1ccccc1 ZINC001267151911 808368898 /nfs/dbraw/zinc/36/88/98/808368898.db2.gz FTKPYZONQBKPGR-UONOGXRCSA-N 0 3 294.826 3.027 20 30 CGEDHN C#CCN(CC#C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172549352 808378384 /nfs/dbraw/zinc/37/83/84/808378384.db2.gz OMOOMGJCICWLJB-MSOLQXFVSA-N 0 3 251.373 3.281 20 30 CGEDHN C=CCN(CCNC(=O)CC1CCCCCC1)C1CC1 ZINC001267333733 808417787 /nfs/dbraw/zinc/41/77/87/808417787.db2.gz LCWYXXKTABJBKI-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001267622381 808460668 /nfs/dbraw/zinc/46/06/68/808460668.db2.gz XTDNILZCCACRJM-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccoc2)C1 ZINC001267901863 808512791 /nfs/dbraw/zinc/51/27/91/808512791.db2.gz NNNZMSFWDZAGNM-MRXNPFEDSA-N 0 3 290.407 3.220 20 30 CGEDHN CCSC[C@@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001173300641 808599005 /nfs/dbraw/zinc/59/90/05/808599005.db2.gz MPUAOZLYPBNJCL-GFCCVEGCSA-N 0 3 260.406 3.058 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001269287331 808666066 /nfs/dbraw/zinc/66/60/66/808666066.db2.gz HPWDJTCPIYGAQY-JKSUJKDBSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001269311742 808667264 /nfs/dbraw/zinc/66/72/64/808667264.db2.gz VFOCJQJOJIGFOI-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001269583597 808690392 /nfs/dbraw/zinc/69/03/92/808690392.db2.gz NDZFHXUZSTVJSO-XHSDSOJGSA-N 0 3 278.440 3.064 20 30 CGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCCC ZINC001272045145 808795234 /nfs/dbraw/zinc/79/52/34/808795234.db2.gz UGKOIGMHBJPLBD-DLBZAZTESA-N 0 3 290.451 3.045 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1occc1C(C)C ZINC001272978358 808829384 /nfs/dbraw/zinc/82/93/84/808829384.db2.gz RLFQNDIRWXCQBS-LBPRGKRZSA-N 0 3 298.814 3.254 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@](C)(F)CCCC)C(C)(C)C1 ZINC001274436783 808876423 /nfs/dbraw/zinc/87/64/23/808876423.db2.gz PRFVBPOHQHRVEY-WMLDXEAASA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001275945985 808979271 /nfs/dbraw/zinc/97/92/71/808979271.db2.gz QCXWZZKCKUEYOV-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCC1CCCC1 ZINC001276780961 809031815 /nfs/dbraw/zinc/03/18/15/809031815.db2.gz BHDITRXZWOQNEX-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H](C)C1CCCCC1 ZINC001276940022 809047422 /nfs/dbraw/zinc/04/74/22/809047422.db2.gz JEOZXNVHZFEFHU-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001276976382 809051750 /nfs/dbraw/zinc/05/17/50/809051750.db2.gz BQVBLFNRRDDBHP-PQUAAJSLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H](C)N[C@@H](C)c1ccccc1F ZINC001277770715 809094353 /nfs/dbraw/zinc/09/43/53/809094353.db2.gz HTANYRWVNYSEFD-KGLIPLIRSA-N 0 3 292.398 3.289 20 30 CGEDHN C=CCC1(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001279399997 809171676 /nfs/dbraw/zinc/17/16/76/809171676.db2.gz LLFHRGUOVFDLJZ-KRWDZBQOSA-N 0 3 296.430 3.204 20 30 CGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CC)CC1 ZINC001281911883 809222392 /nfs/dbraw/zinc/22/23/92/809222392.db2.gz BMAZWCSOYRFWFU-IAGOWNOFSA-N 0 3 298.430 3.125 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001282484673 809251116 /nfs/dbraw/zinc/25/11/16/809251116.db2.gz FXMJECAFFBVSCN-CQSZACIVSA-N 0 3 274.408 3.046 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1cccs1)C(C)C ZINC001284544672 809308289 /nfs/dbraw/zinc/30/82/89/809308289.db2.gz OHKOXHVXMYFBFK-AWEZNQCLSA-N 0 3 294.464 3.206 20 30 CGEDHN C=CCCC[C@H](NCC(=O)N(C)C1CC1)c1ccccc1 ZINC001175776590 809539806 /nfs/dbraw/zinc/53/98/06/809539806.db2.gz YRZPWPRIJZHJKF-KRWDZBQOSA-N 0 3 286.419 3.294 20 30 CGEDHN C=CC[C@H](NCc1ccc2c(c1)OCCO2)c1ccncc1 ZINC001177886181 809828922 /nfs/dbraw/zinc/82/89/22/809828922.db2.gz ZUCXKHQPWNICEC-INIZCTEOSA-N 0 3 296.370 3.260 20 30 CGEDHN C#CCN[C@@H]1CCN(C(=O)[C@](C)(CC)CCCCCC)C1 ZINC001187989421 810438595 /nfs/dbraw/zinc/43/85/95/810438595.db2.gz YTCNKLCAULHPGT-SJLPKXTDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@H](N(C)CC=C(C)C)C2)CCC1 ZINC001192190479 810773875 /nfs/dbraw/zinc/77/38/75/810773875.db2.gz RBEAXBUNGNLEQH-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCC1(C(=O)N2CC[C@H](N(C)CC=C(C)C)C2)CC1 ZINC001192206560 810776289 /nfs/dbraw/zinc/77/62/89/810776289.db2.gz PNCZUTQAPKEUBH-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN CC(C)P(CCNC(=O)c1ccc(C#N)o1)C(C)C ZINC001192691408 810817260 /nfs/dbraw/zinc/81/72/60/810817260.db2.gz OKKWRJOTPORLSD-UHFFFAOYSA-N 0 3 280.308 3.180 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)OCCCCCCC ZINC001194019511 811003115 /nfs/dbraw/zinc/00/31/15/811003115.db2.gz NSHQSPFYWBOTSO-HNNXBMFYSA-N 0 3 282.428 3.333 20 30 CGEDHN C=CCOC(=O)Nc1ccccc1CN1CCCCC1 ZINC001194318889 811050645 /nfs/dbraw/zinc/05/06/45/811050645.db2.gz QRBPLTNNUDVEHP-UHFFFAOYSA-N 0 3 274.364 3.407 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2sccc2C)CC1 ZINC001194665642 811103330 /nfs/dbraw/zinc/10/33/30/811103330.db2.gz JYCBKYMHXOXUKV-UHFFFAOYSA-N 0 3 292.448 3.171 20 30 CGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001196854749 811374904 /nfs/dbraw/zinc/37/49/04/811374904.db2.gz SSBJFHHEPAQHQY-HZPDHXFCSA-N 0 3 298.446 3.119 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@@H](C3CCC3)CC2)c1 ZINC001197201608 811405176 /nfs/dbraw/zinc/40/51/76/811405176.db2.gz GEZNBBSIONRULF-MRXNPFEDSA-N 0 3 269.392 3.355 20 30 CGEDHN C=CCCCN(CC)CC(=O)N(CCC)CC(F)(F)F ZINC001198458414 811505472 /nfs/dbraw/zinc/50/54/72/811505472.db2.gz RWDPLDAGSTVIIB-UHFFFAOYSA-N 0 3 294.361 3.075 20 30 CGEDHN C=CC[C@H]1CCN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001198489580 811508517 /nfs/dbraw/zinc/50/85/17/811508517.db2.gz CDIZPEPBVAGGBU-GJZGRUSLSA-N 0 3 290.794 3.483 20 30 CGEDHN CCCCCCCN1CCN(c2ccc(Cl)nn2)CC1 ZINC001201798034 811966623 /nfs/dbraw/zinc/96/66/23/811966623.db2.gz MAMPUSAKUNUSQO-UHFFFAOYSA-N 0 3 296.846 3.222 20 30 CGEDHN CCCCCCCCCN1C[C@@H](F)C[C@H](CO)C1 ZINC001201838879 811969411 /nfs/dbraw/zinc/96/94/11/811969411.db2.gz GBXRDLQZDYNAAK-GJZGRUSLSA-N 0 3 259.409 3.389 20 30 CGEDHN C=CCSCCNCc1cnc([C@H]2CCCO2)s1 ZINC001201939395 811978033 /nfs/dbraw/zinc/97/80/33/811978033.db2.gz QMCINNIYUVWYPT-GFCCVEGCSA-N 0 3 284.450 3.003 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC(C)(C)C)C12CCC2 ZINC001202503703 812109583 /nfs/dbraw/zinc/10/95/83/812109583.db2.gz YZVXNAYNPWAVQI-QWHCGFSZSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001202980583 812213283 /nfs/dbraw/zinc/21/32/83/812213283.db2.gz VNTRJDGUNLKUTP-KGLIPLIRSA-N 0 3 296.842 3.112 20 30 CGEDHN COc1cc(C)c(CN2CCC[C@H](CC#N)C2)cc1C ZINC001203759452 812456672 /nfs/dbraw/zinc/45/66/72/812456672.db2.gz FOIFDMXASCGGKX-OAHLLOKOSA-N 0 3 272.392 3.438 20 30 CGEDHN C=CC1CCN(Cc2c3ccccc3[nH]c2C(=O)OC)CC1 ZINC001204180014 812568350 /nfs/dbraw/zinc/56/83/50/812568350.db2.gz DLEJRPYXDHXFCT-UHFFFAOYSA-N 0 3 298.386 3.353 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)cc1 ZINC001204297658 812603651 /nfs/dbraw/zinc/60/36/51/812603651.db2.gz MMOWIAIKEKCEGC-SJLPKXTDSA-N 0 3 287.403 3.252 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)cc(F)c2)no1 ZINC001206094862 813199147 /nfs/dbraw/zinc/19/91/47/813199147.db2.gz YEXGUNYCDGOITA-UHFFFAOYSA-N 0 3 291.301 3.124 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(F)cc2F)no1 ZINC001206094844 813199211 /nfs/dbraw/zinc/19/92/11/813199211.db2.gz XOLDSEWZIXZLJR-UHFFFAOYSA-N 0 3 291.301 3.124 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(CC)cc2)no1 ZINC001206100884 813200695 /nfs/dbraw/zinc/20/06/95/813200695.db2.gz XNSQAWXSLQFHRK-UHFFFAOYSA-N 0 3 283.375 3.408 20 30 CGEDHN CCCCCCCCN1CC[C@](N)(C(F)(F)F)C1 ZINC001206210979 813242902 /nfs/dbraw/zinc/24/29/02/813242902.db2.gz LNDBKIHIHKMEIU-GFCCVEGCSA-N 0 3 266.351 3.312 20 30 CGEDHN C=CCN(Cc1ccncc1OC)C1CCCCC1 ZINC001206494300 813334103 /nfs/dbraw/zinc/33/41/03/813334103.db2.gz YAXRQQADYFNTEC-UHFFFAOYSA-N 0 3 260.381 3.411 20 30 CGEDHN C=C[C@@H](CCCCCC)OCCCN1CCN(C)CC1 ZINC001206595845 813369507 /nfs/dbraw/zinc/36/95/07/813369507.db2.gz JIAUSSDCMQTICJ-KRWDZBQOSA-N 0 3 282.472 3.166 20 30 CGEDHN CC[C@@H]1c2ccccc2CCN1Cc1cc(C#N)n(C)c1 ZINC001207108435 813486871 /nfs/dbraw/zinc/48/68/71/813486871.db2.gz BGRHLUBAGGKWPJ-GOSISDBHSA-N 0 3 279.387 3.406 20 30 CGEDHN C#CC1CCN(CCc2cccc(Br)c2)CC1 ZINC001207509268 813581618 /nfs/dbraw/zinc/58/16/18/813581618.db2.gz AFWHFCIDFDUBHX-UHFFFAOYSA-N 0 3 292.220 3.337 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@H](N2CCOCC2)C1 ZINC001208118501 813696796 /nfs/dbraw/zinc/69/67/96/813696796.db2.gz JSBFAYSLRPLIBE-BLGFXRMMSA-N 0 3 294.483 3.310 20 30 CGEDHN CCCN(CCC#N)C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC001208222913 813749864 /nfs/dbraw/zinc/74/98/64/813749864.db2.gz VQBHACBIERMVBK-AWEZNQCLSA-N 0 3 288.391 3.220 20 30 CGEDHN CCCN(CCC#N)C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC001208222914 813749905 /nfs/dbraw/zinc/74/99/05/813749905.db2.gz VQBHACBIERMVBK-CQSZACIVSA-N 0 3 288.391 3.220 20 30 CGEDHN N#Cc1cccc(CCCN2CC3(C2)C[C@H](F)CS3)c1 ZINC001208850545 813865550 /nfs/dbraw/zinc/86/55/50/813865550.db2.gz DGBODZKTBPZGSU-HNNXBMFYSA-N 0 3 290.407 3.020 20 30 CGEDHN CCCCCCN1CCN(CCc2ccc(C#N)cc2)CC1 ZINC001208926663 813901424 /nfs/dbraw/zinc/90/14/24/813901424.db2.gz XLJDTZQUECDNMM-UHFFFAOYSA-N 0 3 299.462 3.299 20 30 CGEDHN N#Cc1ccc(CCN2CCc3ccc(C#N)cc3C2)cc1 ZINC001208925696 813901614 /nfs/dbraw/zinc/90/16/14/813901614.db2.gz NHCQCSHOZFLKTJ-UHFFFAOYSA-N 0 3 287.366 3.031 20 30 CGEDHN CN(CCC(=O)c1ccccc1)CCc1ccc(C#N)cc1 ZINC001208925970 813902027 /nfs/dbraw/zinc/90/20/27/813902027.db2.gz ARJMGXORNZHRTG-UHFFFAOYSA-N 0 3 292.382 3.306 20 30 CGEDHN C=CCCCCN1CCc2ncc(Cl)cc2C1 ZINC001209207369 813967956 /nfs/dbraw/zinc/96/79/56/813967956.db2.gz WDHPYHMUZICVPV-UHFFFAOYSA-N 0 3 250.773 3.449 20 30 CGEDHN C=CCCCCCCCN1CCN(CCF)CC1 ZINC001209438256 814038577 /nfs/dbraw/zinc/03/85/77/814038577.db2.gz DEPPHHMCSSCVDT-UHFFFAOYSA-N 0 3 256.409 3.100 20 30 CGEDHN C=CCCCCCCCN1CCN(CCC#N)CC1 ZINC001209439225 814038882 /nfs/dbraw/zinc/03/88/82/814038882.db2.gz KUXHSTPTOWFPST-UHFFFAOYSA-N 0 3 263.429 3.044 20 30 CGEDHN C=CCCCCCCCN1CCS[C@@H](C(=O)OCC)C1 ZINC001209441267 814041677 /nfs/dbraw/zinc/04/16/77/814041677.db2.gz GLPSUALYYJZLBJ-OAHLLOKOSA-N 0 3 299.480 3.494 20 30 CGEDHN C=CCCCCCCCCN1CC2(C1)CCN(C(C)=O)C2 ZINC001209442733 814043237 /nfs/dbraw/zinc/04/32/37/814043237.db2.gz DEOIGRPQVCDZOA-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=CCCC1(C(=O)N2CCC[C@H](NC[C@H](F)CC)C2)CC1 ZINC001209494268 814061633 /nfs/dbraw/zinc/06/16/33/814061633.db2.gz SNEWSJMWQVOOLR-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001210213600 814345117 /nfs/dbraw/zinc/34/51/17/814345117.db2.gz KZAGASZBJDZVSH-BZUAXINKSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@H]1COC(C)(C)N1 ZINC001217895398 815994926 /nfs/dbraw/zinc/99/49/26/815994926.db2.gz APHIFLFRIAOTIV-AJNGGQMLSA-N 0 3 267.413 3.108 20 30 CGEDHN C=CCOc1ccccc1O[C@@H]1CNCc2ccccc21 ZINC001218485667 816241271 /nfs/dbraw/zinc/24/12/71/816241271.db2.gz AKTRCPQFPFJSBR-GOSISDBHSA-N 0 3 281.355 3.475 20 30 CGEDHN N#Cc1ccc(Cl)c(O[C@@H]2CNCc3ccccc32)c1 ZINC001218488946 816243740 /nfs/dbraw/zinc/24/37/40/816243740.db2.gz NNFLVJKPHOHENY-MRXNPFEDSA-N 0 3 284.746 3.435 20 30 CGEDHN CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC001221270659 816308538 /nfs/dbraw/zinc/30/85/38/816308538.db2.gz GWNXGPWVBZAUPM-JKSUJKDBSA-N 0 3 297.487 3.376 20 30 CGEDHN C=CC(C)(C)CC(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001223333787 816607986 /nfs/dbraw/zinc/60/79/86/816607986.db2.gz JEGGGYZHXAQSRQ-HNNXBMFYSA-N 0 3 298.446 3.165 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](CC)CC(C)C)C[C@@H]21 ZINC001223865136 816692928 /nfs/dbraw/zinc/69/29/28/816692928.db2.gz IOEFUWYOLSLWCB-ZACQAIPSSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCC1CCC1 ZINC001225580414 817099585 /nfs/dbraw/zinc/09/95/85/817099585.db2.gz RZEYREUUTNGMAI-HUUCEWRRSA-N 0 3 298.858 3.336 20 30 CGEDHN O[C@@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231579319 818127832 /nfs/dbraw/zinc/12/78/32/818127832.db2.gz XKPPZCIBEWASMU-HXUWFJFHSA-N 0 3 291.394 3.043 20 30 CGEDHN CCN(Cc1ccccc1O)Cc1ccc(C#N)cc1OC ZINC001231620651 818138602 /nfs/dbraw/zinc/13/86/02/818138602.db2.gz HXFCOMAQKXVMLH-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC2CCC(CC2)C1 ZINC001231620881 818138686 /nfs/dbraw/zinc/13/86/86/818138686.db2.gz OUUDPCURLIEXON-UHFFFAOYSA-N 0 3 270.376 3.189 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@@H](Oc3cccnc3)C2)c1 ZINC001231659998 818151734 /nfs/dbraw/zinc/15/17/34/818151734.db2.gz YTQGCDQZABZPKA-LJQANCHMSA-N 0 3 292.382 3.106 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc(O)c3ncccc23)CC1 ZINC001232275833 818299946 /nfs/dbraw/zinc/29/99/46/818299946.db2.gz FFSDCTVGABHCFA-UHFFFAOYSA-N 0 3 281.359 3.066 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232463465 818356786 /nfs/dbraw/zinc/35/67/86/818356786.db2.gz KVGKERZMHMHMPH-NSHDSACASA-N 0 3 273.767 3.062 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3ncsc3c2)C1 ZINC001232743426 818430020 /nfs/dbraw/zinc/43/00/20/818430020.db2.gz UUXVQDIXOJRPNW-LBPRGKRZSA-N 0 3 256.374 3.142 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccn3)C2)s1 ZINC001232844088 818454927 /nfs/dbraw/zinc/45/49/27/818454927.db2.gz OBFABOKSSILVMU-ZDUSSCGKSA-N 0 3 283.400 3.394 20 30 CGEDHN Cc1ccc(CN2CCC[C@H]2Cc2ccccn2)c(C#N)c1 ZINC001232966744 818485465 /nfs/dbraw/zinc/48/54/65/818485465.db2.gz UEHMMDNMQRYANW-IBGZPJMESA-N 0 3 291.398 3.469 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](COCC3CC3)C2)c(C#N)c1 ZINC001232967615 818486100 /nfs/dbraw/zinc/48/61/00/818486100.db2.gz SERMBSODAUVZIY-MRXNPFEDSA-N 0 3 284.403 3.115 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](C(F)F)C1 ZINC001233082535 818520888 /nfs/dbraw/zinc/52/08/88/818520888.db2.gz FNVZXOULFODERW-AWEZNQCLSA-N 0 3 264.319 3.344 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234455460 818858787 /nfs/dbraw/zinc/85/87/87/818858787.db2.gz MDESSVAYQLFJLQ-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658316 818908257 /nfs/dbraw/zinc/90/82/57/818908257.db2.gz ZXTZDZYGBMADHD-OAHLLOKOSA-N 0 3 274.408 3.172 20 30 CGEDHN C[C@]1(F)CCCCN(Cc2ccccc2CC#N)C1 ZINC001235510473 819112482 /nfs/dbraw/zinc/11/24/82/819112482.db2.gz BFNSXIIBCIIIQH-INIZCTEOSA-N 0 3 260.356 3.467 20 30 CGEDHN COc1cccc(CN(C)Cc2ccccc2CC#N)c1 ZINC001235516267 819113983 /nfs/dbraw/zinc/11/39/83/819113983.db2.gz FWWYMOHPTVCTQN-UHFFFAOYSA-N 0 3 280.371 3.393 20 30 CGEDHN Cc1ccc(CN2CCN[C@@H](c3ccccc3)C2)c(C#N)c1 ZINC001235855462 819186546 /nfs/dbraw/zinc/18/65/46/819186546.db2.gz OBYOBYQLKMCQFE-LJQANCHMSA-N 0 3 291.398 3.013 20 30 CGEDHN N#Cc1cncnc1-c1cccc(CN2CCCCC2)c1F ZINC001236004221 819269769 /nfs/dbraw/zinc/26/97/69/819269769.db2.gz LGGYOXGQKVHJAU-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN CCc1ccc(C[NH+]2CCC(CC#N)CC2)c([O-])c1 ZINC001236795203 819598074 /nfs/dbraw/zinc/59/80/74/819598074.db2.gz RPMRZBCHUXOHSA-UHFFFAOYSA-N 0 3 258.365 3.080 20 30 CGEDHN CCCCCCCCN1CCNC[C@@H]1C(F)(F)F ZINC001236977245 819639627 /nfs/dbraw/zinc/63/96/27/819639627.db2.gz VOAPGZQNOWSSAM-GFCCVEGCSA-N 0 3 266.351 3.183 20 30 CGEDHN CCc1cc(CN2CC[C@H](OC(C)C)C2)ccc1C#N ZINC001238770028 820112803 /nfs/dbraw/zinc/11/28/03/820112803.db2.gz WXDZDOPHAMPTNP-KRWDZBQOSA-N 0 3 272.392 3.120 20 30 CGEDHN CN1CCc2ccc(-c3ccccc3OCC#N)cc2C1 ZINC001243587777 823457703 /nfs/dbraw/zinc/45/77/03/823457703.db2.gz CSCRZQWFZXCUCT-UHFFFAOYSA-N 0 3 278.355 3.244 20 30 CGEDHN N#Cc1cc(-c2ccc([C@H]3CCC[NH2+]C3)cc2)ccc1[O-] ZINC001242565514 823036314 /nfs/dbraw/zinc/03/63/14/823036314.db2.gz IJELKYSLVOODAC-INIZCTEOSA-N 0 3 278.355 3.398 20 30 CGEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1F ZINC001339383518 936370293 /nfs/dbraw/zinc/37/02/93/936370293.db2.gz YFGJQQZJIKIAEH-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1cscn1 ZINC001341672654 936446975 /nfs/dbraw/zinc/44/69/75/936446975.db2.gz KTDZKKLXUUZRHN-CQSZACIVSA-N 0 3 297.468 3.179 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc2ccccc2c1 ZINC001343114658 936488850 /nfs/dbraw/zinc/48/88/50/936488850.db2.gz DNFHVXZJLBVLMH-QGZVFWFLSA-N 0 3 282.387 3.140 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccc(C)cc1 ZINC001344875215 936547695 /nfs/dbraw/zinc/54/76/95/936547695.db2.gz PUGOSVFKECXJIW-INIZCTEOSA-N 0 3 295.386 3.411 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cnc3ccc(C)cc3c2)C1 ZINC001345030094 936797956 /nfs/dbraw/zinc/79/79/56/936797956.db2.gz NCLLPBKQSIGEFW-KRWDZBQOSA-N 0 3 282.387 3.320 20 30 CGEDHN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)C(C)(C)C ZINC001347850760 936899174 /nfs/dbraw/zinc/89/91/74/936899174.db2.gz ODYYSCUYTUNVJE-UHFFFAOYSA-N 0 3 293.436 3.296 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(CCCCCF)C1 ZINC001479909816 936922862 /nfs/dbraw/zinc/92/28/62/936922862.db2.gz RLUVUGQFUVMFSN-RDJZCZTQSA-N 0 3 298.446 3.309 20 30 CGEDHN N#Cc1cc(NC(=O)C2(N)CC3(CCC3)C2)ccc1C1CC1 ZINC001353145758 937058960 /nfs/dbraw/zinc/05/89/60/937058960.db2.gz BZFQKKISMLXPBS-UHFFFAOYSA-N 0 3 295.386 3.036 20 30 CGEDHN C[C@@]1(C(=O)C(C#N)c2ncc(F)cc2F)CC=CCC1 ZINC001344983844 926681844 /nfs/dbraw/zinc/68/18/44/926681844.db2.gz NIOCPUWYFQDIOQ-IAQYHMDHSA-N 0 3 276.286 3.282 20 30 CGEDHN C=C(C)[C@@H](NCCc1nnc(C)o1)c1ccc(F)c(F)c1 ZINC001354627434 937108424 /nfs/dbraw/zinc/10/84/24/937108424.db2.gz WDEBYWFZEVFGFP-OAHLLOKOSA-N 0 3 293.317 3.106 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001480921030 926795242 /nfs/dbraw/zinc/79/52/42/926795242.db2.gz FMRXHWSQYIFOKB-YOEHRIQHSA-N 0 3 280.456 3.073 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CCC ZINC001481677053 927055032 /nfs/dbraw/zinc/05/50/32/927055032.db2.gz VOAYIJQFDVUBHR-PMPSAXMXSA-N 0 3 292.467 3.453 20 30 CGEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001481778438 927085391 /nfs/dbraw/zinc/08/53/91/927085391.db2.gz MTYBFNBPVJZNCE-SJORKVTESA-N 0 3 292.467 3.005 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC001356566742 937161485 /nfs/dbraw/zinc/16/14/85/937161485.db2.gz DZZDIIWNXGDJLQ-CQSZACIVSA-N 0 3 299.349 3.103 20 30 CGEDHN C#CCCCCC(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001484873022 927764297 /nfs/dbraw/zinc/76/42/97/927764297.db2.gz HPASPPKNGHOYHJ-UHFFFAOYSA-N 0 3 298.430 3.220 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001484940575 927773048 /nfs/dbraw/zinc/77/30/48/927773048.db2.gz FZWQEBLTUHISCN-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001488645542 928290369 /nfs/dbraw/zinc/29/03/69/928290369.db2.gz RSQSECVOIQMKSM-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN CC#CCN(C)CCCNC(=O)[C@H](C)CC1CCCCC1 ZINC001490277399 928339686 /nfs/dbraw/zinc/33/96/86/928339686.db2.gz ULRYETNHRFIDML-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001490431207 928364401 /nfs/dbraw/zinc/36/44/01/928364401.db2.gz RWFJDEQBGALCSD-QGZVFWFLSA-N 0 3 286.419 3.042 20 30 CGEDHN Cc1c[nH]c(=O)c(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC001414122681 937240628 /nfs/dbraw/zinc/24/06/28/937240628.db2.gz SPDBLWDTFLEVNV-UHFFFAOYSA-N 0 3 295.386 3.187 20 30 CGEDHN C#CCN(C/C=C\c1ccccc1OC)CC1CC1 ZINC001320522968 928492469 /nfs/dbraw/zinc/49/24/69/928492469.db2.gz UYPWXGRSXSXKDW-VURMDHGXSA-N 0 3 255.361 3.054 20 30 CGEDHN C=CCCCCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001444422888 937352076 /nfs/dbraw/zinc/35/20/76/937352076.db2.gz JRGSJAQEGUHWFE-UHFFFAOYSA-N 0 3 268.445 3.169 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1ccccc1C ZINC001448869779 937376919 /nfs/dbraw/zinc/37/69/19/937376919.db2.gz BLMQHWSIEOPBPE-MRXNPFEDSA-N 0 3 288.435 3.065 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)CC1(C=C)CCCCC1 ZINC001448874503 937377253 /nfs/dbraw/zinc/37/72/53/937377253.db2.gz RFZLQDLSLKFILA-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC001459925890 937506588 /nfs/dbraw/zinc/50/65/88/937506588.db2.gz BETOLFWJIYWPSN-CQSZACIVSA-N 0 3 282.428 3.284 20 30 CGEDHN C=C(CC)CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001460690140 937540194 /nfs/dbraw/zinc/54/01/94/937540194.db2.gz GZOZNKKEFGSTLU-KBPBESRZSA-N 0 3 287.325 3.077 20 30 CGEDHN C=CCC[C@@H]1CCCN1Cc1nnc(-c2ccccc2O)o1 ZINC001460886280 937550212 /nfs/dbraw/zinc/55/02/12/937550212.db2.gz LIYHDLOJNFNBEA-CYBMUJFWSA-N 0 3 299.374 3.373 20 30 CGEDHN C#Cc1ccc(CNCc2cc3ccccc3n2C)cc1 ZINC001461511718 937584292 /nfs/dbraw/zinc/58/42/92/937584292.db2.gz BMYIAIJWGXSIGV-UHFFFAOYSA-N 0 3 274.367 3.449 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](F)CCCCCC)CC1 ZINC001230048652 932530030 /nfs/dbraw/zinc/53/00/30/932530030.db2.gz MKQLPUIIOIOEQU-HNNXBMFYSA-N 0 3 284.419 3.062 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658534 932605751 /nfs/dbraw/zinc/60/57/51/932605751.db2.gz BKLCSKLMTNZADO-ZFWWWQNUSA-N 0 3 290.407 3.089 20 30 CGEDHN C#C[C@H](NCc1cn(-c2ccc(C)cc2)nc1C)C(C)C ZINC001462218621 937626071 /nfs/dbraw/zinc/62/60/71/937626071.db2.gz HWAMWOGCAFBPKB-SFHVURJKSA-N 0 3 281.403 3.237 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CC(=C)C)[C@@H]1C ZINC001332208730 932735319 /nfs/dbraw/zinc/73/53/19/932735319.db2.gz WWSSEPBJOMOSAV-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001316608941 932749022 /nfs/dbraw/zinc/74/90/22/932749022.db2.gz IOSRARCGYHDLTG-WMZOPIPTSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1(C)CCC1 ZINC001492165942 932809434 /nfs/dbraw/zinc/80/94/34/932809434.db2.gz DGGCXECYCBIUMR-CQSZACIVSA-N 0 3 298.858 3.290 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C1 ZINC001462464001 937642957 /nfs/dbraw/zinc/64/29/57/937642957.db2.gz XSJDVUPEBGVGBI-CYBMUJFWSA-N 0 3 290.407 3.323 20 30 CGEDHN CCCCCCCCCCN1CCN2CCOC[C@@H]2C1 ZINC001307669582 932984037 /nfs/dbraw/zinc/98/40/37/932984037.db2.gz IEUPXOSPRJKCLY-KRWDZBQOSA-N 0 3 282.472 3.144 20 30 CGEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)C1 ZINC001307915892 933020097 /nfs/dbraw/zinc/02/00/97/933020097.db2.gz ZEOQORXKRUTDIP-BBWFWOEESA-N 0 3 292.467 3.312 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1Cc2c[nH]nc2C[C@H](C)C1 ZINC001308078816 933044703 /nfs/dbraw/zinc/04/47/03/933044703.db2.gz WREALCSSNGYSCS-LBPRGKRZSA-N 0 3 294.402 3.093 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1c[nH]c(=O)c2ccccc12 ZINC001308139269 933056493 /nfs/dbraw/zinc/05/64/93/933056493.db2.gz DXGKCISGOKIVOV-CYBMUJFWSA-N 0 3 254.333 3.091 20 30 CGEDHN C#CCOc1ccccc1CNC[C@H]1CCCC2(CCC2)O1 ZINC001308537923 933127379 /nfs/dbraw/zinc/12/73/79/933127379.db2.gz FFZVGSZRTXEZBB-QGZVFWFLSA-N 0 3 299.414 3.280 20 30 CGEDHN CN(c1ccccc1)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001308884176 933197392 /nfs/dbraw/zinc/19/73/92/933197392.db2.gz NOYZFFQSNGVVGG-HXUWFJFHSA-N 0 3 290.410 3.249 20 30 CGEDHN C[N@H+](CCc1cccc(C#N)c1)Cc1ccc([O-])c(F)c1 ZINC001308908404 933201896 /nfs/dbraw/zinc/20/18/96/933201896.db2.gz DBILMUBJUAAXPC-UHFFFAOYSA-N 0 3 284.334 3.077 20 30 CGEDHN C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc([O-])c(F)c1 ZINC001308908404 933201899 /nfs/dbraw/zinc/20/18/99/933201899.db2.gz DBILMUBJUAAXPC-UHFFFAOYSA-N 0 3 284.334 3.077 20 30 CGEDHN CCCCCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001313052320 933421636 /nfs/dbraw/zinc/42/16/36/933421636.db2.gz FLFABEHAEDKLTO-OAHLLOKOSA-N 0 3 295.471 3.083 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@]1(C)C=CCC1)c1ccccc1 ZINC001317721451 933638616 /nfs/dbraw/zinc/63/86/16/933638616.db2.gz GIJNQYVLOLXFJY-IEBWSBKVSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(CC)CCC ZINC001318220515 933695832 /nfs/dbraw/zinc/69/58/32/933695832.db2.gz ZSGUSWWOPSJZLT-XYJFISCASA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H]1CCCC[C@H]1C ZINC001467727610 937721369 /nfs/dbraw/zinc/72/13/69/937721369.db2.gz MYEGIAVLUSQUIL-CVEARBPZSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001319738685 933923283 /nfs/dbraw/zinc/92/32/83/933923283.db2.gz CYNSBMWOSIRZBI-OAHLLOKOSA-N 0 3 296.842 3.210 20 30 CGEDHN C=C[C@@H](COC)NCc1cccc(OC2CCCC2)c1 ZINC001320584989 934068730 /nfs/dbraw/zinc/06/87/30/934068730.db2.gz YNWBINZSENDHPO-HNNXBMFYSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1C ZINC001322118815 934246821 /nfs/dbraw/zinc/24/68/21/934246821.db2.gz BBRYDBPJLZWRBK-CQSZACIVSA-N 0 3 292.398 3.037 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc3occc3c2)C1 ZINC001323965334 934443068 /nfs/dbraw/zinc/44/30/68/934443068.db2.gz NSRRRSYLRQXYNV-HNNXBMFYSA-N 0 3 257.333 3.210 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1cc(C)c(OC)cc1C ZINC001324021109 934450428 /nfs/dbraw/zinc/45/04/28/934450428.db2.gz FLMLFELLIQNDEV-KBPBESRZSA-N 0 3 263.381 3.164 20 30 CGEDHN Cc1nc(NCCN2CCCC2(C)C)c(Cl)cc1C#N ZINC001472804364 937784616 /nfs/dbraw/zinc/78/46/16/937784616.db2.gz YSUYCDRUGOJUOB-UHFFFAOYSA-N 0 3 292.814 3.201 20 30 CGEDHN C=CCO[C@H]1CCN(CCc2cccc(Cl)c2)C1 ZINC001324746992 934562114 /nfs/dbraw/zinc/56/21/14/934562114.db2.gz IYIZDQXIOONDKB-HNNXBMFYSA-N 0 3 265.784 3.159 20 30 CGEDHN N#Cc1ccc(F)cc1NC[C@H]1CCCCN1C1CC1 ZINC001472777314 937783816 /nfs/dbraw/zinc/78/38/16/937783816.db2.gz TWIGWXUPYFZETQ-OAHLLOKOSA-N 0 3 273.355 3.126 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@H](COC)C(C)C ZINC001473137828 937794352 /nfs/dbraw/zinc/79/43/52/937794352.db2.gz ZFKDALDQRZQAKO-MRXNPFEDSA-N 0 3 277.383 3.180 20 30 CGEDHN C=CCCCCN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC001473183954 937796670 /nfs/dbraw/zinc/79/66/70/937796670.db2.gz CCCAJVLBXNMAEG-KRWDZBQOSA-N 0 3 286.419 3.470 20 30 CGEDHN CN(C[C@H]1CCCC12CCOCC2)CC(C)(C)C#N ZINC001473497529 937809282 /nfs/dbraw/zinc/80/92/82/937809282.db2.gz CVNYSWDNKZVOHK-CQSZACIVSA-N 0 3 264.413 3.065 20 30 CGEDHN CC(C)(NC[C@@H](O)c1cccc(C#N)c1)c1ccccc1F ZINC001473506279 937809599 /nfs/dbraw/zinc/80/95/99/937809599.db2.gz LUFCZZKQSRHMOO-QGZVFWFLSA-N 0 3 298.361 3.256 20 30 CGEDHN Cc1cc(CNCc2cccc(OCC#N)c2)cc(C)c1O ZINC001325640992 934921487 /nfs/dbraw/zinc/92/14/87/934921487.db2.gz ISFQMCMQVRXYFQ-UHFFFAOYSA-N 0 3 296.370 3.201 20 30 CGEDHN C#CCCN(CCOC)CCSc1ccc(C)c(C)c1 ZINC001473670955 937816644 /nfs/dbraw/zinc/81/66/44/937816644.db2.gz SWZALGLDBNJFKL-UHFFFAOYSA-N 0 3 291.460 3.367 20 30 CGEDHN C=CC[C@@H]1CCCN(CN2CC[C@@H](c3ccccc3)C2=O)C1 ZINC001327701746 935079582 /nfs/dbraw/zinc/07/95/82/935079582.db2.gz ZHZVBAKWGZEZDZ-AEFFLSMTSA-N 0 3 298.430 3.248 20 30 CGEDHN C=CCO[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001328109036 935117684 /nfs/dbraw/zinc/11/76/84/935117684.db2.gz WQRDKKHSXDZQCJ-OOFWQKGWSA-N 0 3 286.419 3.043 20 30 CGEDHN N#CC1(c2ccccc2)CC(NCc2cc(N)cc(F)c2)C1 ZINC001329744632 935243712 /nfs/dbraw/zinc/24/37/12/935243712.db2.gz ZOHCCEPRFILVDC-UHFFFAOYSA-N 0 3 295.361 3.121 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C(C)(C)CC=C ZINC001329935320 935254809 /nfs/dbraw/zinc/25/48/09/935254809.db2.gz BGTRKMAKXBNUKI-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(C)c(C)o1 ZINC001330786869 935322621 /nfs/dbraw/zinc/32/26/21/935322621.db2.gz WCEGDZIAPCZNAI-GFCCVEGCSA-N 0 3 298.814 3.137 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001338114075 936306476 /nfs/dbraw/zinc/30/64/76/936306476.db2.gz XPRNFUOKGRRHQU-PWSUYJOCSA-N 0 3 289.297 3.437 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1cc2c(s1)CCC2 ZINC001338114381 936306691 /nfs/dbraw/zinc/30/66/91/936306691.db2.gz ZOBPTWCOMRPWIO-JQWIXIFHSA-N 0 3 251.395 3.088 20 30 CGEDHN C=C[C@@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001338117376 936306890 /nfs/dbraw/zinc/30/68/90/936306890.db2.gz FURBINCZGLFQPR-KRWDZBQOSA-N 0 3 283.371 3.350 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1=CCCC1 ZINC001480821355 937944941 /nfs/dbraw/zinc/94/49/41/937944941.db2.gz WJEHGKHDMZXTLO-HNNXBMFYSA-N 0 3 296.842 3.210 20 30 CGEDHN C#CCN(CCC)CCNC(=O)C[C@H]1CCCCC1(C)C ZINC001493337617 937949741 /nfs/dbraw/zinc/94/97/41/937949741.db2.gz ULCJYVCULFAEOK-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)c1occc1C)c1ccccc1 ZINC001493883682 937952017 /nfs/dbraw/zinc/95/20/17/937952017.db2.gz JOKLHOZWZCPQDW-MRXNPFEDSA-N 0 3 298.386 3.225 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](C)C(C)C)C1 ZINC001493968923 937952351 /nfs/dbraw/zinc/95/23/51/937952351.db2.gz MWGSAOGPCLLKBC-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001494285056 937954054 /nfs/dbraw/zinc/95/40/54/937954054.db2.gz NICCZMOMPVGGDX-QGZVFWFLSA-N 0 3 290.451 3.424 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001494668578 937955630 /nfs/dbraw/zinc/95/56/30/937955630.db2.gz QQVSTWWBHPLBPB-JYJNAYRXSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCC(=O)NC[C@H](CC)N[C@@H](C)c1ccccc1F ZINC001494950588 937957530 /nfs/dbraw/zinc/95/75/30/937957530.db2.gz OAGIWIKVQAHTAH-KBPBESRZSA-N 0 3 292.398 3.337 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001495336721 937958711 /nfs/dbraw/zinc/95/87/11/937958711.db2.gz CGQVVKCJBVLKNE-OCCSQVGLSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)ccc1C ZINC001498644501 937970613 /nfs/dbraw/zinc/97/06/13/937970613.db2.gz OIGOHSVQQOBHOJ-UHFFFAOYSA-N 0 3 294.826 3.108 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001499014377 937971814 /nfs/dbraw/zinc/97/18/14/937971814.db2.gz DQGCSBNSUKIGRL-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001498973129 937971932 /nfs/dbraw/zinc/97/19/32/937971932.db2.gz ISKBZIJGXQRWJM-QGZVFWFLSA-N 0 3 290.451 3.424 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001498962284 937971963 /nfs/dbraw/zinc/97/19/63/937971963.db2.gz VVVQNSCSKQOQPR-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001499071836 937972457 /nfs/dbraw/zinc/97/24/57/937972457.db2.gz KVYNMJNTDQPGEF-HZPDHXFCSA-N 0 3 292.467 3.338 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC ZINC001499506676 937973654 /nfs/dbraw/zinc/97/36/54/937973654.db2.gz JYJXFHXXGPJGRS-CVEARBPZSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN[C@H](CNC(=O)/C(C)=C\C)c1ccccc1CC ZINC001501019535 937978529 /nfs/dbraw/zinc/97/85/29/937978529.db2.gz RHTYZXNURCXQAH-JJKQHFEOSA-N 0 3 286.419 3.148 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001505529718 937985948 /nfs/dbraw/zinc/98/59/48/937985948.db2.gz NFBPGGYULKFDGN-OPFPJEHXSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001506016486 937988745 /nfs/dbraw/zinc/98/87/45/937988745.db2.gz CIMLSYUEZRJNIZ-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001519538348 938019670 /nfs/dbraw/zinc/01/96/70/938019670.db2.gz RNBIWXSLYMUQBM-IAQYHMDHSA-N 0 3 295.310 3.432 20 30 CGEDHN C=C(CC)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001520158527 938023523 /nfs/dbraw/zinc/02/35/23/938023523.db2.gz LSTDQVUAZHZTQX-CQSZACIVSA-N 0 3 280.799 3.025 20 30 CGEDHN C=CCN(C(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001532545298 938087044 /nfs/dbraw/zinc/08/70/44/938087044.db2.gz MLHBBTYTQWNJSP-INIZCTEOSA-N 0 3 272.392 3.078 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001537815629 938113622 /nfs/dbraw/zinc/11/36/22/938113622.db2.gz WRTYAVNMWLPAQT-HDMKZQKVSA-N 0 3 288.435 3.396 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2CCC)C1 ZINC001557407879 938209896 /nfs/dbraw/zinc/20/98/96/938209896.db2.gz UHGSXIIKHXVGQZ-JKSUJKDBSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001559690061 938232820 /nfs/dbraw/zinc/23/28/20/938232820.db2.gz DRGCZKKRLCULTR-UONOGXRCSA-N 0 3 282.428 3.282 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)[C@H](CO)CC(C)(C)C ZINC001559839465 938236807 /nfs/dbraw/zinc/23/68/07/938236807.db2.gz DBOWXUCKTFZXPD-INIZCTEOSA-N 0 3 293.838 3.420 20 30 CGEDHN CC#CCN([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC001560045880 938242678 /nfs/dbraw/zinc/24/26/78/938242678.db2.gz VGCJUFAOMDDLLV-WMLDXEAASA-N 0 3 257.377 3.034 20 30 CGEDHN CCCCCCCN1CCOC[C@H]1CC1CCOCC1 ZINC001560204020 938247168 /nfs/dbraw/zinc/24/71/68/938247168.db2.gz VJXIBXPHCLPSAV-QGZVFWFLSA-N 0 3 283.456 3.474 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001574908543 960467856 /nfs/dbraw/zinc/46/78/56/960467856.db2.gz SKMRHYHXDRUDEE-GFCCVEGCSA-N 0 3 286.297 3.328 20 30 CGEDHN C=CCCCCCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001564883486 960701153 /nfs/dbraw/zinc/70/11/53/960701153.db2.gz GPHFRCRJXJNCLZ-MRXNPFEDSA-N 0 3 295.471 3.249 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)CC(C)(C)CC)CC(C)(C)C1 ZINC001566130218 960890771 /nfs/dbraw/zinc/89/07/71/960890771.db2.gz SBBHSSMCKJIWIC-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001566525056 960952976 /nfs/dbraw/zinc/95/29/76/960952976.db2.gz HIMIKFZXLFWFTJ-HIFRSBDPSA-N 0 3 298.858 3.288 20 30 CGEDHN C=CCN(CCNC(=O)c1ccc2c(c1)CCC=C2)C1CC1 ZINC001567453632 961355107 /nfs/dbraw/zinc/35/51/07/961355107.db2.gz MDWCULBTCDHKCN-UHFFFAOYSA-N 0 3 296.414 3.026 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)CCC)c1ccccc1 ZINC001567662791 961375890 /nfs/dbraw/zinc/37/58/90/961375890.db2.gz KAKJMZWXXNFOAJ-INIZCTEOSA-N 0 3 288.435 3.446 20 30 CGEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001567861174 961442591 /nfs/dbraw/zinc/44/25/91/961442591.db2.gz LYDFVAIARFQIAR-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)Cc1c(C)cccc1C ZINC001568476104 961597903 /nfs/dbraw/zinc/59/79/03/961597903.db2.gz OYNRJVKQYFTZHE-UHFFFAOYSA-N 0 3 288.435 3.160 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC001568697904 961630126 /nfs/dbraw/zinc/63/01/26/961630126.db2.gz UMDXHOGWFOTAKZ-CHWSQXEVSA-N 0 3 286.847 3.050 20 30 CGEDHN CC#CCNC1(CNC(=O)[C@H](CCCC)C(C)C)CCC1 ZINC001570127789 961911543 /nfs/dbraw/zinc/91/15/43/961911543.db2.gz SXVMMKMUVDIZKC-MRXNPFEDSA-N 0 3 292.467 3.101 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001570897416 962104454 /nfs/dbraw/zinc/10/44/54/962104454.db2.gz QTHZYWLBHIYLDB-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001571043992 962121003 /nfs/dbraw/zinc/12/10/03/962121003.db2.gz QNRQMJCLNLQMFQ-MRXNPFEDSA-N 0 3 292.467 3.169 20 30 CGEDHN CC(C)[C@H](C)N(C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC001575417886 962372176 /nfs/dbraw/zinc/37/21/76/962372176.db2.gz JBDSQMMMWQLNMU-HOCLYGCPSA-N 0 3 287.407 3.085 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)C(C)(C)C ZINC001577426510 962542090 /nfs/dbraw/zinc/54/20/90/962542090.db2.gz QHJBZCIZXOLXDI-ZDUSSCGKSA-N 0 3 256.434 3.321 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCCCC1 ZINC001577426015 962545652 /nfs/dbraw/zinc/54/56/52/962545652.db2.gz FBZRMBHGYUHQEE-CQSZACIVSA-N 0 3 254.418 3.077 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588594913 963285504 /nfs/dbraw/zinc/28/55/04/963285504.db2.gz VSYQLGUHCYJWCN-LRDDRELGSA-N 0 3 297.406 3.188 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588594913 963285512 /nfs/dbraw/zinc/28/55/12/963285512.db2.gz VSYQLGUHCYJWCN-LRDDRELGSA-N 0 3 297.406 3.188 20 30 CGEDHN C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588594622 963286219 /nfs/dbraw/zinc/28/62/19/963286219.db2.gz YPQJDTWTIDNHMV-CQSZACIVSA-N 0 3 299.422 3.481 20 30 CGEDHN C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588594622 963286232 /nfs/dbraw/zinc/28/62/32/963286232.db2.gz YPQJDTWTIDNHMV-CQSZACIVSA-N 0 3 299.422 3.481 20 30 CGEDHN C=CC[N@@H+](Cc1c(C)cc(-c2nnn[n-]2)cc1C)C(C)(C)C ZINC001588635565 963291233 /nfs/dbraw/zinc/29/12/33/963291233.db2.gz OCRGFEVLYIKFLB-UHFFFAOYSA-N 0 3 299.422 3.270 20 30 CGEDHN C=CC[N@H+](Cc1c(C)cc(-c2nnn[n-]2)cc1C)C(C)(C)C ZINC001588635565 963291244 /nfs/dbraw/zinc/29/12/44/963291244.db2.gz OCRGFEVLYIKFLB-UHFFFAOYSA-N 0 3 299.422 3.270 20 30 CGEDHN C=CC[N@@H+](Cc1c(C)cc(-c2nn[n-]n2)cc1C)C(C)(C)C ZINC001588635565 963291255 /nfs/dbraw/zinc/29/12/55/963291255.db2.gz OCRGFEVLYIKFLB-UHFFFAOYSA-N 0 3 299.422 3.270 20 30 CGEDHN C=CC[N@H+](Cc1c(C)cc(-c2nn[n-]n2)cc1C)C(C)(C)C ZINC001588635565 963291268 /nfs/dbraw/zinc/29/12/68/963291268.db2.gz OCRGFEVLYIKFLB-UHFFFAOYSA-N 0 3 299.422 3.270 20 30 CGEDHN C=CCCC[NH2+][C@@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588600889 963294136 /nfs/dbraw/zinc/29/41/36/963294136.db2.gz SHQRBIHTQASSLY-MRXNPFEDSA-N 0 3 297.406 3.190 20 30 CGEDHN C=CCCC[NH2+][C@@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588600889 963294143 /nfs/dbraw/zinc/29/41/43/963294143.db2.gz SHQRBIHTQASSLY-MRXNPFEDSA-N 0 3 297.406 3.190 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CCCC1 ZINC001588649246 963299142 /nfs/dbraw/zinc/29/91/42/963299142.db2.gz XIWPNVDSHYNEDR-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CCCC1 ZINC001588649246 963299150 /nfs/dbraw/zinc/29/91/50/963299150.db2.gz XIWPNVDSHYNEDR-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCCC1 ZINC001588649246 963299174 /nfs/dbraw/zinc/29/91/74/963299174.db2.gz XIWPNVDSHYNEDR-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCCC1 ZINC001588649246 963299188 /nfs/dbraw/zinc/29/91/88/963299188.db2.gz XIWPNVDSHYNEDR-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN CC(C)Oc1ncccc1CNC1CCC(C)(C#N)CC1 ZINC000590642909 346857902 /nfs/dbraw/zinc/85/79/02/346857902.db2.gz LXCKIIXISHFPPL-UHFFFAOYSA-N 0 3 287.407 3.431 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000651761180 398284372 /nfs/dbraw/zinc/28/43/72/398284372.db2.gz HWESSCDVJVJTSX-BMFZPTHFSA-N 0 3 282.391 3.229 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cccnc2OCC)C1 ZINC000651750345 398281892 /nfs/dbraw/zinc/28/18/92/398281892.db2.gz DRSVLLSRLJPSDV-UKRRQHHQSA-N 0 3 260.381 3.315 20 30 CGEDHN C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nnc[n-]2)c2ccccc2)C1 ZINC000651761180 398284370 /nfs/dbraw/zinc/28/43/70/398284370.db2.gz HWESSCDVJVJTSX-BMFZPTHFSA-N 0 3 282.391 3.229 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2ccncc2OC)C1 ZINC000651780545 398286797 /nfs/dbraw/zinc/28/67/97/398286797.db2.gz LXLUAXSJRKVWFR-MCIONIFRSA-N 0 3 260.381 3.486 20 30 CGEDHN C=CCCN(C)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651782317 398286661 /nfs/dbraw/zinc/28/66/61/398286661.db2.gz LURYDFRPCZEXMK-UHFFFAOYSA-N 0 3 269.392 3.497 20 30 CGEDHN CC[C@H](COCC(F)(F)F)NCc1ccc(C#N)cc1 ZINC000449380944 529402063 /nfs/dbraw/zinc/40/20/63/529402063.db2.gz PPCMXJBLFWWMJX-CYBMUJFWSA-N 0 3 286.297 3.005 20 30 CGEDHN C=CCOc1ccc(CN(CC)[C@@H]2CCCOC2)cc1 ZINC000651947952 398310213 /nfs/dbraw/zinc/31/02/13/398310213.db2.gz YGQFVRLFCIUMFA-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@H](N[C@H](CO)CC1CCCC1)c1ccc(C#N)cc1F ZINC000338024162 214368139 /nfs/dbraw/zinc/36/81/39/214368139.db2.gz WNWOBKVTFCTPHU-WFASDCNBSA-N 0 3 290.382 3.289 20 30 CGEDHN CCCCO[C@@H]1C[C@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590739104 346870904 /nfs/dbraw/zinc/87/09/04/346870904.db2.gz GNBUHKITQCOKOO-JKSUJKDBSA-N 0 3 287.407 3.027 20 30 CGEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000590756879 346872306 /nfs/dbraw/zinc/87/23/06/346872306.db2.gz DLFHQFCWEWWNBX-RHSMWYFYSA-N 0 3 272.392 3.114 20 30 CGEDHN N#Cc1ccc(OCCN[C@H]2CCc3c2cccc3F)cc1 ZINC000338239907 214468952 /nfs/dbraw/zinc/46/89/52/214468952.db2.gz SNFJUOJPZLACAR-SFHVURJKSA-N 0 3 296.345 3.353 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1ccccc1C#N)c1ccsc1 ZINC000591036385 346895922 /nfs/dbraw/zinc/89/59/22/346895922.db2.gz KTWNTKDWHSLINS-GFCCVEGCSA-N 0 3 299.399 3.299 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](C3CCC3)C2)c(F)c1 ZINC000591061860 346897356 /nfs/dbraw/zinc/89/73/56/346897356.db2.gz KZAOAMYOIDUOMB-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000591056160 346897550 /nfs/dbraw/zinc/89/75/50/346897550.db2.gz AXQBAOYFQKYWJQ-LSDHHAIUSA-N 0 3 287.407 3.025 20 30 CGEDHN N#CC1(CN[C@@H]2CCCc3ccccc3C2)CCC1 ZINC000591357664 346917087 /nfs/dbraw/zinc/91/70/87/346917087.db2.gz BWEMHVFFUJBUAC-MRXNPFEDSA-N 0 3 254.377 3.217 20 30 CGEDHN CC(C)CSCCNCc1ccc(C#N)s1 ZINC000126338847 187233763 /nfs/dbraw/zinc/23/37/63/187233763.db2.gz QTTDCLKQGHRZLE-UHFFFAOYSA-N 0 3 254.424 3.099 20 30 CGEDHN C=CCCOCCNCc1ccc(Cl)c(OC)c1 ZINC000623474172 349815279 /nfs/dbraw/zinc/81/52/79/349815279.db2.gz UAFNFKOKJOQZPV-UHFFFAOYSA-N 0 3 269.772 3.031 20 30 CGEDHN C=CC(C)(C)CCNCc1cc(OC)c(OC)cc1OC ZINC000623592189 349843215 /nfs/dbraw/zinc/84/32/15/349843215.db2.gz AGYODVWWZODYRM-UHFFFAOYSA-N 0 3 293.407 3.404 20 30 CGEDHN C=CC(C)(C)CCNCc1nc2ccccc2n1C ZINC000623593170 349843634 /nfs/dbraw/zinc/84/36/34/349843634.db2.gz XFHIUWOPZVFHMD-UHFFFAOYSA-N 0 3 257.381 3.265 20 30 CGEDHN CCC[C@H](C)[C@H]1CCCN1Cc1ccncc1C#N ZINC000592076408 346961150 /nfs/dbraw/zinc/96/11/50/346961150.db2.gz ZLPIKOQFDKSMPU-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN CCC[C@@H](C)[C@@H]1CCCN1Cc1ccncc1C#N ZINC000592076406 346961717 /nfs/dbraw/zinc/96/17/17/346961717.db2.gz ZLPIKOQFDKSMPU-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN N#CC[C@@]1(O)CCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000592146848 346966845 /nfs/dbraw/zinc/96/68/45/346966845.db2.gz KWTNTDFYWAVGDD-LJQANCHMSA-N 0 3 292.382 3.204 20 30 CGEDHN C[C@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CO1 ZINC000592366173 346979513 /nfs/dbraw/zinc/97/95/13/346979513.db2.gz ZUEXBUBEQHPBNE-KSSFIOAISA-N 0 3 292.382 3.492 20 30 CGEDHN COc1ccccc1C1(N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000592393319 346982300 /nfs/dbraw/zinc/98/23/00/346982300.db2.gz GFZFPAODBMKBTH-KGLIPLIRSA-N 0 3 270.376 3.356 20 30 CGEDHN N#C[C@H]1CC[C@H](NC2(c3cccc(F)c3)CCC2)C1 ZINC000592393146 346982376 /nfs/dbraw/zinc/98/23/76/346982376.db2.gz FRFLZOMDMQGVHW-WFASDCNBSA-N 0 3 258.340 3.487 20 30 CGEDHN Cc1ccc(CN(CC(C)C)C(=O)C(C)C#N)c(C)c1 ZINC000592824686 347017783 /nfs/dbraw/zinc/01/77/83/347017783.db2.gz QSPDTUKSJWHVQB-OAHLLOKOSA-N 0 3 272.392 3.448 20 30 CGEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593025874 347029461 /nfs/dbraw/zinc/02/94/61/347029461.db2.gz UECDKDWVQCQZJY-XUJVJEKNSA-N 0 3 287.363 3.381 20 30 CGEDHN C=C(C)CN1CCC(N[C@@H]2CCCc3scnc32)CC1 ZINC000623889498 349906745 /nfs/dbraw/zinc/90/67/45/349906745.db2.gz OKJBXVAPJDVPIX-CQSZACIVSA-N 0 3 291.464 3.151 20 30 CGEDHN Cc1ccccc1OCCN(C)Cc1cccc(C#N)c1 ZINC000053421809 345120144 /nfs/dbraw/zinc/12/01/44/345120144.db2.gz SOIFDFNGDZBNBN-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN C=CCN(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000051706421 345092037 /nfs/dbraw/zinc/09/20/37/345092037.db2.gz ZWKIUVHKBOSYCW-UHFFFAOYSA-N 0 3 271.307 3.305 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000060365189 345214040 /nfs/dbraw/zinc/21/40/40/345214040.db2.gz JUZQBVYECUYDNJ-QGZVFWFLSA-N 0 3 286.419 3.124 20 30 CGEDHN CC(C)N(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000068765442 345361514 /nfs/dbraw/zinc/36/15/14/345361514.db2.gz ZVRZKPGRPIMQCY-UHFFFAOYSA-N 0 3 265.360 3.364 20 30 CGEDHN CC(C)[C@H](NCc1cccc(C#N)c1)c1cccnc1 ZINC000091283997 345810145 /nfs/dbraw/zinc/81/01/45/345810145.db2.gz CNTXFJYRHWYWLR-KRWDZBQOSA-N 0 3 265.360 3.440 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2ccccc2O)CC1 ZINC000091508064 345817114 /nfs/dbraw/zinc/81/71/14/345817114.db2.gz BORNSXGNSKPRKZ-HNNXBMFYSA-N 0 3 274.408 3.259 20 30 CGEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cnc2ccc(C#N)cn12 ZINC000093383485 345876343 /nfs/dbraw/zinc/87/63/43/345876343.db2.gz AQILYSJALLARSP-KMFMINBZSA-N 0 3 294.402 3.359 20 30 CGEDHN COC(=O)[C@@H](C)[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000131922716 346068220 /nfs/dbraw/zinc/06/82/20/346068220.db2.gz SHCBYBPESONFAF-DZGCQCFKSA-N 0 3 288.391 3.066 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCSC(C)(C)C1 ZINC000165509577 346184676 /nfs/dbraw/zinc/18/46/76/346184676.db2.gz BPZYUSMVFMCDRI-UHFFFAOYSA-N 0 3 260.406 3.194 20 30 CGEDHN COc1ccc(CNC[C@@H]2CCCCC2(F)F)cc1C#N ZINC000295137071 199365118 /nfs/dbraw/zinc/36/51/18/199365118.db2.gz PHVFIDQEWNODEO-AWEZNQCLSA-N 0 3 294.345 3.482 20 30 CGEDHN Cc1csc([C@@H](C)NCC(C)(C)CCC#N)n1 ZINC000229696468 346318459 /nfs/dbraw/zinc/31/84/59/346318459.db2.gz MKDYRYYPEFYVID-LLVKDONJSA-N 0 3 251.399 3.432 20 30 CGEDHN C=CCOc1ccc(CN[C@@](C)(CO)c2ccccc2)cc1 ZINC000237652722 346347344 /nfs/dbraw/zinc/34/73/44/346347344.db2.gz NZRPLTFWWXVIDI-IBGZPJMESA-N 0 3 297.398 3.249 20 30 CGEDHN CCN(CCNCc1cccc(C#N)c1)c1ccccc1C ZINC000236873440 346343869 /nfs/dbraw/zinc/34/38/69/346343869.db2.gz ADWWJTVMKACECJ-UHFFFAOYSA-N 0 3 293.414 3.483 20 30 CGEDHN CC1(C)[C@@H](C(F)(F)F)CCN1CC1(CC#N)CC1 ZINC000302497967 346441575 /nfs/dbraw/zinc/44/15/75/346441575.db2.gz WIBDHMFNFCQHGA-JTQLQIEISA-N 0 3 260.303 3.343 20 30 CGEDHN CCOC[C@@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000313465211 346479802 /nfs/dbraw/zinc/47/98/02/346479802.db2.gz CNPFVDBWHMVAPA-KRWDZBQOSA-N 0 3 272.392 3.258 20 30 CGEDHN CC[C@@H]1COC(C)(C)CN1CCCC(C)(C)C#N ZINC000403809313 346598301 /nfs/dbraw/zinc/59/83/01/346598301.db2.gz HAOPVJOTVIHWBK-CYBMUJFWSA-N 0 3 252.402 3.206 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(F)(F)CC1 ZINC000529889033 346644589 /nfs/dbraw/zinc/64/45/89/346644589.db2.gz MQJOATFCLLBPGJ-AWEZNQCLSA-N 0 3 292.329 3.017 20 30 CGEDHN CN(CCCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000584728535 346710134 /nfs/dbraw/zinc/71/01/34/346710134.db2.gz ONDIDASOKISHEB-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN N#C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000585717919 346727265 /nfs/dbraw/zinc/72/72/65/346727265.db2.gz XCLZBLGMOKHSJB-HZPDHXFCSA-N 0 3 289.810 3.075 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586788680 346735659 /nfs/dbraw/zinc/73/56/59/346735659.db2.gz CRNZKUCWNPKINN-NSHDSACASA-N 0 3 293.326 3.256 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC2(CCCCC2)CC1 ZINC000588170238 346754645 /nfs/dbraw/zinc/75/46/45/346754645.db2.gz RFMNCZPOWJHJGF-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN N#Cc1ccc(C2(NC[C@@H](O)CC3CCCC3)CCC2)cc1 ZINC000594033289 347141112 /nfs/dbraw/zinc/14/11/12/347141112.db2.gz MKTOQWCCFRDTEG-SFHVURJKSA-N 0 3 298.430 3.468 20 30 CGEDHN Cc1nn(-c2ccccc2Cl)cc1CNCCCC#N ZINC000594499305 347180060 /nfs/dbraw/zinc/18/00/60/347180060.db2.gz FSMGUFTUTFJSTE-UHFFFAOYSA-N 0 3 288.782 3.228 20 30 CGEDHN C[C@@H](N[C@@H](C)Cc1ccccn1)c1ccc(C#N)cc1F ZINC000594514864 347185662 /nfs/dbraw/zinc/18/56/62/347185662.db2.gz LJPIOQFZVWBGCT-QWHCGFSZSA-N 0 3 283.350 3.374 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000594997212 347252159 /nfs/dbraw/zinc/25/21/59/347252159.db2.gz JASJFUMLPLJWHV-KRWDZBQOSA-N 0 3 290.382 3.382 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cc3ccncc3s2)C1 ZINC000594950608 347238361 /nfs/dbraw/zinc/23/83/61/347238361.db2.gz OMXBKYSMBPCETD-PWSUYJOCSA-N 0 3 257.362 3.078 20 30 CGEDHN C[C@@H]1N(C(=O)[C@@H](N)CCCCC#N)c2ccccc2C1(C)C ZINC000595258174 347286843 /nfs/dbraw/zinc/28/68/43/347286843.db2.gz RKKCHSBGEFGXLZ-ZFWWWQNUSA-N 0 3 299.418 3.111 20 30 CGEDHN CC[C@@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000595056166 347271748 /nfs/dbraw/zinc/27/17/48/347271748.db2.gz BNHDZXQBWYJLAQ-GUYCJALGSA-N 0 3 272.392 3.414 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cn2ccccc2n1 ZINC000595057210 347272484 /nfs/dbraw/zinc/27/24/84/347272484.db2.gz BRVBOEWZLUPVJG-CYBMUJFWSA-N 0 3 275.421 3.294 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000595603204 347324773 /nfs/dbraw/zinc/32/47/73/347324773.db2.gz KYRWUIQANKXMCA-CZUORRHYSA-N 0 3 255.365 3.178 20 30 CGEDHN C=CCCCCN1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620207 347328646 /nfs/dbraw/zinc/32/86/46/347328646.db2.gz BMAOVHNDDJFHOC-NEPJUHHUSA-N 0 3 293.329 3.016 20 30 CGEDHN CC(C)(C#N)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595633710 347330842 /nfs/dbraw/zinc/33/08/42/347330842.db2.gz WTDUMHQVDOTNPU-UHFFFAOYSA-N 0 3 255.365 3.323 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000595661369 347335552 /nfs/dbraw/zinc/33/55/52/347335552.db2.gz ZPUMZHOHLKLZII-CQSZACIVSA-N 0 3 270.376 3.355 20 30 CGEDHN C[C@H]1COC2(CCC2)CN1CCCCC(C)(C)C#N ZINC000595683697 347337389 /nfs/dbraw/zinc/33/73/89/347337389.db2.gz YMTWUSDMCPVNAO-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(C#N)c1)C(C)(C)C ZINC000595766391 347353228 /nfs/dbraw/zinc/35/32/28/347353228.db2.gz UYVCCXRCRFMFRT-UHFFFAOYSA-N 0 3 258.365 3.353 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)s1 ZINC000595788018 347355830 /nfs/dbraw/zinc/35/58/30/347355830.db2.gz MBRAWZGICRRTRZ-BBRMVZONSA-N 0 3 290.432 3.401 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC000595840773 347365648 /nfs/dbraw/zinc/36/56/48/347365648.db2.gz DZVXKSOZBFCRRN-OKILXGFUSA-N 0 3 258.321 3.278 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595845508 347367266 /nfs/dbraw/zinc/36/72/66/347367266.db2.gz PEBGXCPJUDDWSR-OKILXGFUSA-N 0 3 288.347 3.286 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@@H](C)N(C)Cc1ccccc1 ZINC000596118999 347385426 /nfs/dbraw/zinc/38/54/26/347385426.db2.gz HWZCUGMXYMLQPG-OAHLLOKOSA-N 0 3 294.402 3.194 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@H](C)N(C)Cc1ccccc1 ZINC000596118998 347385513 /nfs/dbraw/zinc/38/55/13/347385513.db2.gz HWZCUGMXYMLQPG-HNNXBMFYSA-N 0 3 294.402 3.194 20 30 CGEDHN Cn1ncc2c1CC(C)(C)CN(CCCC(C)(C)C#N)C2 ZINC000596598588 347485990 /nfs/dbraw/zinc/48/59/90/347485990.db2.gz HPRSEXDXYYEGCX-UHFFFAOYSA-N 0 3 288.439 3.134 20 30 CGEDHN COc1ccc(-c2ccc(OCCN(C)C)cc2)cc1C#N ZINC000596635957 347495291 /nfs/dbraw/zinc/49/52/91/347495291.db2.gz LCQGKBLFSJVDSN-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C[C@H](CN1CCC(C)CC1)Nc1ncc(C#N)cc1Cl ZINC000596489522 347467434 /nfs/dbraw/zinc/46/74/34/347467434.db2.gz WKAUEOVWQZJONF-GFCCVEGCSA-N 0 3 292.814 3.139 20 30 CGEDHN CC(C)CO[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597030632 347529506 /nfs/dbraw/zinc/52/95/06/347529506.db2.gz SGRBAFBVMZMBEQ-SFHVURJKSA-N 0 3 298.430 3.489 20 30 CGEDHN Cc1ccc(C(C)(C)CNCc2cc(C#N)cs2)nc1 ZINC000598990772 347704015 /nfs/dbraw/zinc/70/40/15/347704015.db2.gz IAPOQXUBTQBUEL-UHFFFAOYSA-N 0 3 285.416 3.391 20 30 CGEDHN Cc1cc(CNC[C@@H]2Cc3ccccc3CO2)ccc1C#N ZINC000598989964 347704490 /nfs/dbraw/zinc/70/44/90/347704490.db2.gz XQNCESCGSWWWTG-IBGZPJMESA-N 0 3 292.382 3.098 20 30 CGEDHN C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598584313 347665984 /nfs/dbraw/zinc/66/59/84/347665984.db2.gz GFHJHVUYZJPXIF-IUODEOHRSA-N 0 3 278.371 3.119 20 30 CGEDHN CC[C@@H]1c2ccsc2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598585828 347666838 /nfs/dbraw/zinc/66/68/38/347666838.db2.gz KZOQUCIZYLWTKE-GXTWGEPZSA-N 0 3 292.448 3.358 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598588148 347667482 /nfs/dbraw/zinc/66/74/82/347667482.db2.gz YXLJECYRZDZVBQ-KRWDZBQOSA-N 0 3 286.419 3.018 20 30 CGEDHN Cc1cnccc1CCN1CCc2c(CC#N)cccc2C1 ZINC000599677332 347764099 /nfs/dbraw/zinc/76/40/99/347764099.db2.gz FEXAOSWQSREBIV-UHFFFAOYSA-N 0 3 291.398 3.057 20 30 CGEDHN Cc1ccc(CN2CCS[C@@H](C)CC2)cc1C#N ZINC000599388605 347741557 /nfs/dbraw/zinc/74/15/57/347741557.db2.gz JSOCJMHWWZLNIP-ZDUSSCGKSA-N 0 3 260.406 3.194 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000599402954 347742049 /nfs/dbraw/zinc/74/20/49/347742049.db2.gz IEVOZSMSSURXPO-IAGOWNOFSA-N 0 3 270.376 3.010 20 30 CGEDHN C[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599512559 347749406 /nfs/dbraw/zinc/74/94/06/347749406.db2.gz KHYHIUDWMUUGCK-BETUJISGSA-N 0 3 294.345 3.160 20 30 CGEDHN CC[C@@H](CCc1ccccc1)NC[C@H](C#N)CCC#N ZINC000600606732 347813567 /nfs/dbraw/zinc/81/35/67/347813567.db2.gz QLZSECZVLBRSNX-IRXDYDNUSA-N 0 3 269.392 3.431 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cccc(C(=O)OCC)n1 ZINC000600135401 347783396 /nfs/dbraw/zinc/78/33/96/347783396.db2.gz HGCGTMIBMMDAKI-CYBMUJFWSA-N 0 3 276.380 3.093 20 30 CGEDHN N#CCC1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000600146558 347784851 /nfs/dbraw/zinc/78/48/51/347784851.db2.gz FWNFVDIWFZEBFK-UHFFFAOYSA-N 0 3 253.349 3.294 20 30 CGEDHN COc1ccc(CNCC(C)(C)F)cc1OCCCC#N ZINC000601137103 347874013 /nfs/dbraw/zinc/87/40/13/347874013.db2.gz SRPVTXDGSHXNAT-UHFFFAOYSA-N 0 3 294.370 3.215 20 30 CGEDHN C[C@@H]1C[C@H](NCc2cccc(OCCCC#N)c2)[C@H](C)O1 ZINC000601149715 347875625 /nfs/dbraw/zinc/87/56/25/347875625.db2.gz QJYMVFLZKXJGPO-KEYYUXOJSA-N 0 3 288.391 3.025 20 30 CGEDHN CS[C@@H]1CCC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000602006343 347932722 /nfs/dbraw/zinc/93/27/22/347932722.db2.gz JZCUTPNKVNHWLN-QWHCGFSZSA-N 0 3 278.396 3.461 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@H]1CCC(F)(F)C1 ZINC000602015653 347933561 /nfs/dbraw/zinc/93/35/61/347933561.db2.gz FUAQZTCGYCQHDD-JTQLQIEISA-N 0 3 268.282 3.222 20 30 CGEDHN C[C@H](CNCc1cccc(F)c1C#N)CC(F)F ZINC000602020706 347934283 /nfs/dbraw/zinc/93/42/83/347934283.db2.gz SBWDJIIPVUMYRV-VIFPVBQESA-N 0 3 256.271 3.078 20 30 CGEDHN CC(C#N)C(=O)N[C@H](CCc1ccccc1)c1ccccn1 ZINC000601715143 347909360 /nfs/dbraw/zinc/90/93/60/347909360.db2.gz OYWMNITWXFFCCJ-RHSMWYFYSA-N 0 3 293.370 3.031 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000602439060 347957863 /nfs/dbraw/zinc/95/78/63/347957863.db2.gz XBYHFLODZIXOHV-AWEZNQCLSA-N 0 3 291.826 3.402 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2C2CCCC2)n1 ZINC000602449260 347960111 /nfs/dbraw/zinc/96/01/11/347960111.db2.gz PNYBDQONSKHFKR-INIZCTEOSA-N 0 3 255.365 3.108 20 30 CGEDHN CCN(C[C@H](C)CCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000602477278 347965045 /nfs/dbraw/zinc/96/50/45/347965045.db2.gz ZZDSAVSQSFPALJ-WBVHZDCISA-N 0 3 299.418 3.054 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000602534253 347977245 /nfs/dbraw/zinc/97/72/45/347977245.db2.gz HUYPFIJWJQSGLI-UHFFFAOYSA-N 0 3 283.350 3.160 20 30 CGEDHN CC(C)(CCNCc1cccc(C#N)n1)c1ccccc1 ZINC000602519934 347975316 /nfs/dbraw/zinc/97/53/16/347975316.db2.gz BLGJUTDMFZACGI-UHFFFAOYSA-N 0 3 279.387 3.411 20 30 CGEDHN C[C@@H](CCC#N)CN[C@H]1COc2ccc(Cl)cc21 ZINC000602572434 347985967 /nfs/dbraw/zinc/98/59/67/347985967.db2.gz ZMBAISDAYZQSOI-GWCFXTLKSA-N 0 3 264.756 3.303 20 30 CGEDHN N#Cc1cccc(CNCC2(c3ccccc3Cl)CC2)n1 ZINC000602581635 347988067 /nfs/dbraw/zinc/98/80/67/347988067.db2.gz YAVTUECZJRJLTR-UHFFFAOYSA-N 0 3 297.789 3.428 20 30 CGEDHN C[C@H](CCc1c[nH]c2ccccc12)NC[C@H](C)C#N ZINC000602608030 347992646 /nfs/dbraw/zinc/99/26/46/347992646.db2.gz OINURXCBNMURBF-CHWSQXEVSA-N 0 3 255.365 3.238 20 30 CGEDHN CC(C)(C#N)CN[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602617732 347994771 /nfs/dbraw/zinc/99/47/71/347994771.db2.gz ZRODAYAVODCLLP-SJLPKXTDSA-N 0 3 297.446 3.494 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(c2ccccc2F)C[C@H]1C ZINC000602647538 348000402 /nfs/dbraw/zinc/00/04/02/348000402.db2.gz TYBAHHVSOOZGBA-HUUCEWRRSA-N 0 3 289.398 3.276 20 30 CGEDHN CC(C)N(CC(=O)N1CCCCCC1)C[C@@H](C)CCC#N ZINC000602656075 348001874 /nfs/dbraw/zinc/00/18/74/348001874.db2.gz ROGRZGYQLYYONR-INIZCTEOSA-N 0 3 293.455 3.039 20 30 CGEDHN CCCc1nc(C)c(CNC2CCC(C#N)CC2)o1 ZINC000602671846 348005649 /nfs/dbraw/zinc/00/56/49/348005649.db2.gz KQISXFHZFSEDQR-UHFFFAOYSA-N 0 3 261.369 3.108 20 30 CGEDHN Cc1csc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602674169 348006864 /nfs/dbraw/zinc/00/68/64/348006864.db2.gz FVNBEWIIHCQCGD-ZDUSSCGKSA-N 0 3 278.421 3.245 20 30 CGEDHN COc1cc(CN[C@H]2CC[C@@H](CC#N)C2)c(Cl)cc1O ZINC000602678072 348007462 /nfs/dbraw/zinc/00/74/62/348007462.db2.gz BKJPKHPPDWJWTQ-JQWIXIFHSA-N 0 3 294.782 3.226 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000602699192 348012046 /nfs/dbraw/zinc/01/20/46/348012046.db2.gz KKMUJFHVIVENSX-OLZOCXBDSA-N 0 3 283.297 3.164 20 30 CGEDHN COc1cc(F)c([C@@H](C)NC[C@@H](C)CCC#N)cc1OC ZINC000602548408 347979889 /nfs/dbraw/zinc/97/98/89/347979889.db2.gz YMUUWFBKKGZBHK-NWDGAFQWSA-N 0 3 294.370 3.433 20 30 CGEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)CC1(CC#N)CC1 ZINC000602794721 348030281 /nfs/dbraw/zinc/03/02/81/348030281.db2.gz JHPRDQUSAWUZRP-CZUORRHYSA-N 0 3 270.376 3.004 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)[C@H]1OCCc2sccc21 ZINC000602843123 348036609 /nfs/dbraw/zinc/03/66/09/348036609.db2.gz ZFJIHRQODGYZQR-SMDDNHRTSA-N 0 3 276.405 3.034 20 30 CGEDHN CC(C)(C#N)CCN1CCC(c2ccc(F)cn2)CC1 ZINC000602905256 348042679 /nfs/dbraw/zinc/04/26/79/348042679.db2.gz QKEUHKABOVFDDJ-UHFFFAOYSA-N 0 3 275.371 3.340 20 30 CGEDHN CC(C)OC1CC(N2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC000602904871 348042815 /nfs/dbraw/zinc/04/28/15/348042815.db2.gz ARVCMUPEUPCPCW-UHFFFAOYSA-N 0 3 299.418 3.089 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3cccc(F)c3)CC2)nc1 ZINC000602913066 348043730 /nfs/dbraw/zinc/04/37/30/348043730.db2.gz RRLSZXUWZPJVMI-UHFFFAOYSA-N 0 3 295.361 3.472 20 30 CGEDHN CSC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000602921750 348044386 /nfs/dbraw/zinc/04/43/86/348044386.db2.gz ZRKVUTDURIUYNK-UHFFFAOYSA-N 0 3 260.406 3.194 20 30 CGEDHN N#CC1(CCN[C@@H]2CCCn3nccc32)CCCCC1 ZINC000603030968 348055187 /nfs/dbraw/zinc/05/51/87/348055187.db2.gz YVBTVCIUSPCHBF-CQSZACIVSA-N 0 3 272.396 3.172 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NC1CCC(C)CC1 ZINC000606902253 348206526 /nfs/dbraw/zinc/20/65/26/348206526.db2.gz KHBGZCJPBOXLSN-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN CC[C@H]1CCCCN1CCNc1ncc(C#N)cc1Cl ZINC000609595542 348348814 /nfs/dbraw/zinc/34/88/14/348348814.db2.gz BPQWHZOELCIXOD-ZDUSSCGKSA-N 0 3 292.814 3.283 20 30 CGEDHN C[C@H](CNc1ncc(C#N)cc1Cl)N1CCC[C@H](C)C1 ZINC000608885917 348333887 /nfs/dbraw/zinc/33/38/87/348333887.db2.gz GUEWHRMLKQCWLF-NWDGAFQWSA-N 0 3 292.814 3.139 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCc3ccccc3C2)o1 ZINC000610271089 348369637 /nfs/dbraw/zinc/36/96/37/348369637.db2.gz ZECWIRKLPIFZDX-CYBMUJFWSA-N 0 3 266.344 3.046 20 30 CGEDHN COc1nc(C)cc(C)c1CNCC(C)(C)CCC#N ZINC000610270849 348369755 /nfs/dbraw/zinc/36/97/55/348369755.db2.gz HNSAJBAHELSOIL-UHFFFAOYSA-N 0 3 275.396 3.127 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1F)c1nccs1 ZINC000273369694 192129230 /nfs/dbraw/zinc/12/92/30/192129230.db2.gz DWNJNOCQLKVBHO-SNVBAGLBSA-N 0 3 275.352 3.047 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350559 348440973 /nfs/dbraw/zinc/44/09/73/348440973.db2.gz QNTZYOZLFHCSMO-QZTJIDSGSA-N 0 3 284.403 3.197 20 30 CGEDHN CC#CCN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273368252 192127886 /nfs/dbraw/zinc/12/78/86/192127886.db2.gz BLBGAEKILKMPNA-JKSUJKDBSA-N 0 3 261.340 3.001 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](c3ccco3)C2)c1F ZINC000611371797 348441638 /nfs/dbraw/zinc/44/16/38/348441638.db2.gz XIKCDIYYOYGEAS-CYBMUJFWSA-N 0 3 270.307 3.280 20 30 CGEDHN C[C@@H](NCC[S@@](=O)c1ccccc1)c1cccc(C#N)c1 ZINC000611388624 348443699 /nfs/dbraw/zinc/44/36/99/348443699.db2.gz QASUQXQZRQDQFA-SPLOXXLWSA-N 0 3 298.411 3.017 20 30 CGEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(C#N)c1 ZINC000611386189 348443812 /nfs/dbraw/zinc/44/38/12/348443812.db2.gz FUQUGKOVKTUSAE-LBPRGKRZSA-N 0 3 279.318 3.420 20 30 CGEDHN CC(C)(C)OCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611469524 348453994 /nfs/dbraw/zinc/45/39/94/348453994.db2.gz LMOBLULOVJCKRB-MRXNPFEDSA-N 0 3 272.392 3.340 20 30 CGEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(N2CCCC2)n1 ZINC000613255870 348581313 /nfs/dbraw/zinc/58/13/13/348581313.db2.gz TWLAAXQVNVJJIT-DOTOQJQBSA-N 0 3 298.434 3.162 20 30 CGEDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614179693 348655987 /nfs/dbraw/zinc/65/59/87/348655987.db2.gz XLDFKGQJRQDNQJ-CYBMUJFWSA-N 0 3 296.418 3.381 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc3cccnc3c2)C1 ZINC000613661468 348625866 /nfs/dbraw/zinc/62/58/66/348625866.db2.gz PQRKUHQHZBBVIW-SWLSCSKDSA-N 0 3 251.333 3.017 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000617783735 349012322 /nfs/dbraw/zinc/01/23/22/349012322.db2.gz GCHBSLFZMXVFHZ-CVEARBPZSA-N 0 3 278.440 3.066 20 30 CGEDHN C[C@H](C[C@H]1CCCO1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358558735 233154373 /nfs/dbraw/zinc/15/43/73/233154373.db2.gz DBANUXVAHCGKQL-MBNYWOFBSA-N 0 3 276.355 3.306 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(F)cc32)C1 ZINC000618571680 349109033 /nfs/dbraw/zinc/10/90/33/349109033.db2.gz JUYVJKRZIZNTSJ-DIOULYMOSA-N 0 3 258.340 3.485 20 30 CGEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(CO)c1 ZINC000618802541 349156048 /nfs/dbraw/zinc/15/60/48/349156048.db2.gz FIPNYILXWLVJEN-ORAYPTAESA-N 0 3 292.382 3.389 20 30 CGEDHN COC[C@H](CC(C)C)NCc1ccc(C#N)c(Cl)c1 ZINC000619755128 349281579 /nfs/dbraw/zinc/28/15/79/349281579.db2.gz UJAXMDQMODWVEX-AWEZNQCLSA-N 0 3 280.799 3.362 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](c1ccccc1)N(C)C ZINC000620303807 349353595 /nfs/dbraw/zinc/35/35/95/349353595.db2.gz FVDOYVJAXLZDQJ-FGTMMUONSA-N 0 3 298.430 3.389 20 30 CGEDHN C=CCOCCN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625654693 350192242 /nfs/dbraw/zinc/19/22/42/350192242.db2.gz GSLWCVBUJWTOLQ-AWEZNQCLSA-N 0 3 281.346 3.347 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000625699740 350197482 /nfs/dbraw/zinc/19/74/82/350197482.db2.gz GPQNKEDRTANLOJ-ZACQAIPSSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000625703207 350199673 /nfs/dbraw/zinc/19/96/73/350199673.db2.gz YZCGKACIAGWMMF-JKSUJKDBSA-N 0 3 286.419 3.104 20 30 CGEDHN C=CCCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801694 350215765 /nfs/dbraw/zinc/21/57/65/350215765.db2.gz WXYCKKWOMLXPPL-SFHVURJKSA-N 0 3 285.387 3.453 20 30 CGEDHN C=CCC1(NCc2ncnn2CC(C)C)CCCCC1 ZINC000625935270 350233296 /nfs/dbraw/zinc/23/32/96/350233296.db2.gz SWVFXWDLEFRAEW-UHFFFAOYSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CC[C@H]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000628405157 350528227 /nfs/dbraw/zinc/52/82/27/350528227.db2.gz FKJTZOIGCVOHBD-AWEZNQCLSA-N 0 3 267.376 3.475 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000628405157 350528233 /nfs/dbraw/zinc/52/82/33/350528233.db2.gz FKJTZOIGCVOHBD-AWEZNQCLSA-N 0 3 267.376 3.475 20 30 CGEDHN C=C(CNCc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000631053087 350938309 /nfs/dbraw/zinc/93/83/09/350938309.db2.gz AKTDGIZEJFXSGW-UHFFFAOYSA-N 0 3 281.403 3.102 20 30 CGEDHN Cn1cc(CN2CC[C@](C)(c3ccccc3)C2)cc1C#N ZINC000365264479 234093882 /nfs/dbraw/zinc/09/38/82/234093882.db2.gz UYZVUOUHJDLMJH-SFHVURJKSA-N 0 3 279.387 3.060 20 30 CGEDHN COc1cccc([C@@H](C)NCCOc2cccc(C#N)c2)c1 ZINC000271625744 191248481 /nfs/dbraw/zinc/24/84/81/191248481.db2.gz DYDXNRLUBFVLQZ-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCc1nccs1 ZINC000157996892 188351273 /nfs/dbraw/zinc/35/12/73/188351273.db2.gz JJOISTZWGZYAEC-GFCCVEGCSA-N 0 3 271.389 3.250 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cccc3c2CCCN3)C1 ZINC000335013660 283065436 /nfs/dbraw/zinc/06/54/36/283065436.db2.gz NVKRFAMSUDJELA-DZGCQCFKSA-N 0 3 269.392 3.217 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H](O)c1cccc(F)c1 ZINC000271840976 191360475 /nfs/dbraw/zinc/36/04/75/191360475.db2.gz GRPNJKCOITUQKF-VEVIJQCQSA-N 0 3 298.361 3.470 20 30 CGEDHN C[C@H](N[C@@H]1CS[C@H](C)C1)c1ccc(C#N)cc1F ZINC000414236861 235371222 /nfs/dbraw/zinc/37/12/22/235371222.db2.gz VVTMEWRUCIZUFQ-SCVCMEIPSA-N 0 3 264.369 3.242 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3cccc(F)c3)C2)o1 ZINC000174403018 188897312 /nfs/dbraw/zinc/89/73/12/188897312.db2.gz DUTZJMJHFDVZIU-CQSZACIVSA-N 0 3 299.349 3.049 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc(C#N)cs1 ZINC000093324900 138345793 /nfs/dbraw/zinc/34/57/93/138345793.db2.gz LTNDLAPZPRJOKO-GFCCVEGCSA-N 0 3 286.400 3.388 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000425530634 236258133 /nfs/dbraw/zinc/25/81/33/236258133.db2.gz FRYABANZLPQYTF-IOASZLSFSA-N 0 3 258.365 3.119 20 30 CGEDHN N#Cc1cc(F)ccc1CN1CCC[C@H]1C1CCOCC1 ZINC000336220802 213046708 /nfs/dbraw/zinc/04/67/08/213046708.db2.gz QXQNNODYDDHXQR-KRWDZBQOSA-N 0 3 288.366 3.088 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 ZINC000340964746 215779480 /nfs/dbraw/zinc/77/94/80/215779480.db2.gz AVMNYPLSDNLFSJ-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)s1)Oc1ccc(F)cc1 ZINC000176978387 189017817 /nfs/dbraw/zinc/01/78/17/189017817.db2.gz WVAMWMWCDDKXDV-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN CCOC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177172773 189033812 /nfs/dbraw/zinc/03/38/12/189033812.db2.gz GFMSSNAGYMHVCN-INIZCTEOSA-N 0 3 291.822 3.440 20 30 CGEDHN C#CCCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000179717359 189215690 /nfs/dbraw/zinc/21/56/90/189215690.db2.gz LYVHHJVVMCJUKR-GOSISDBHSA-N 0 3 298.430 3.133 20 30 CGEDHN CC(C)N(CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000180453317 189256172 /nfs/dbraw/zinc/25/61/72/189256172.db2.gz CDQRLIRPODVCDV-UHFFFAOYSA-N 0 3 293.798 3.269 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000181844073 189308297 /nfs/dbraw/zinc/30/82/97/189308297.db2.gz HOPQISNKSYADKJ-SWLSCSKDSA-N 0 3 260.381 3.270 20 30 CGEDHN C=C(C)CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000119620496 370691196 /nfs/dbraw/zinc/69/11/96/370691196.db2.gz JLCFXQFDLOTWRZ-UHFFFAOYSA-N 0 3 280.375 3.129 20 30 CGEDHN CC(C)N(Cc1cc(C#N)ccc1F)C1CCOCC1 ZINC000119574785 370687380 /nfs/dbraw/zinc/68/73/80/370687380.db2.gz PZNPSOAZQFBXAP-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN C[C@@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000182683294 189331242 /nfs/dbraw/zinc/33/12/42/189331242.db2.gz XOFJGUUGOVTPJV-AWEZNQCLSA-N 0 3 299.443 3.230 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N[C@@H](C)C(C)(C)CN(C)C ZINC000302095372 201338891 /nfs/dbraw/zinc/33/88/91/201338891.db2.gz IUMOTCVKLNNPDV-ZDUSSCGKSA-N 0 3 287.407 3.149 20 30 CGEDHN COc1cc(C#N)ccc1CN[C@H]1CCC12CCCC2 ZINC000451464083 240308405 /nfs/dbraw/zinc/30/84/05/240308405.db2.gz YEDDMNRZDZJHFG-INIZCTEOSA-N 0 3 270.376 3.379 20 30 CGEDHN CC(C)[C@@H](CO)[C@@H](NCc1cccc(C#N)c1F)C(C)C ZINC000451600781 240333816 /nfs/dbraw/zinc/33/38/16/240333816.db2.gz SRNSVFPLAPOAHD-WBVHZDCISA-N 0 3 292.398 3.076 20 30 CGEDHN C=CCCOCCNCc1cnc(C(C)(C)C)s1 ZINC000120851809 370807280 /nfs/dbraw/zinc/80/72/80/370807280.db2.gz ICPBPFGGDPCULS-UHFFFAOYSA-N 0 3 268.426 3.123 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ncc[nH]2)CC1 ZINC000275595342 193082811 /nfs/dbraw/zinc/08/28/11/193082811.db2.gz KJWLCVVCENAFLT-ZDUSSCGKSA-N 0 3 280.375 3.222 20 30 CGEDHN C=CCCCN1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000537681675 376193353 /nfs/dbraw/zinc/19/33/53/376193353.db2.gz RWWFOCLZLLJTTA-OAHLLOKOSA-N 0 3 276.399 3.471 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(SC)c(OC)c1 ZINC000124772798 370926871 /nfs/dbraw/zinc/92/68/71/370926871.db2.gz UIZSDTZITLGRAT-AWEZNQCLSA-N 0 3 295.448 3.176 20 30 CGEDHN C=C[C@@H](C)NCc1cc(OC)c(OC)cc1SC ZINC000123210268 370909888 /nfs/dbraw/zinc/90/98/88/370909888.db2.gz HLVCEUNDOMDJRZ-SNVBAGLBSA-N 0 3 267.394 3.090 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000123813488 370915780 /nfs/dbraw/zinc/91/57/80/370915780.db2.gz UPGJQDLHLJISAL-RISCZKNCSA-N 0 3 280.799 3.071 20 30 CGEDHN C[C@H]1CCC[C@H](N(C)CC(=O)Nc2sccc2C#N)C1 ZINC000026469563 368859969 /nfs/dbraw/zinc/85/99/69/368859969.db2.gz QXPWCFRKNABRNX-AAEUAGOBSA-N 0 3 291.420 3.069 20 30 CGEDHN CC(C)CN(CC(=O)Nc1ccc(C#N)cc1)CC(C)C ZINC000026647071 368862418 /nfs/dbraw/zinc/86/24/18/368862418.db2.gz ZDEXBZBHZIMCEQ-UHFFFAOYSA-N 0 3 287.407 3.111 20 30 CGEDHN COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000037748648 369102991 /nfs/dbraw/zinc/10/29/91/369102991.db2.gz LERQFIRTMOKEKH-ZDUSSCGKSA-N 0 3 266.344 3.418 20 30 CGEDHN Cc1ccc(C)c(CNCc2cccc(C#N)c2)c1 ZINC000042412638 369219272 /nfs/dbraw/zinc/21/92/72/369219272.db2.gz IDMIDUQYUFASIU-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN CCc1ccccc1CNCc1cccc(C#N)c1 ZINC000052202815 369467846 /nfs/dbraw/zinc/46/78/46/369467846.db2.gz VIHCNFPWAPISDK-UHFFFAOYSA-N 0 3 250.345 3.410 20 30 CGEDHN C=CCCN(C)Cc1c[nH]nc1-c1ccccc1F ZINC000276170892 193231967 /nfs/dbraw/zinc/23/19/67/193231967.db2.gz SKFWRMXLXDEMTK-UHFFFAOYSA-N 0 3 259.328 3.224 20 30 CGEDHN CCC[C@@H](C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000078995915 369958323 /nfs/dbraw/zinc/95/83/23/369958323.db2.gz ZBANSIUYYITBJQ-CYBMUJFWSA-N 0 3 275.371 3.008 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000076733887 369941578 /nfs/dbraw/zinc/94/15/78/369941578.db2.gz YZMRJHXDEJMQLK-AWEZNQCLSA-N 0 3 297.402 3.460 20 30 CGEDHN CN(C)Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000076824071 369943445 /nfs/dbraw/zinc/94/34/45/369943445.db2.gz XGMIHEPNUWTRAC-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN C=CCc1cc(CN2CCC(C)(C)C2)cc(OC)c1O ZINC000093339841 370118230 /nfs/dbraw/zinc/11/82/30/370118230.db2.gz JAAPEBDHHGLWTC-UHFFFAOYSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCOc1ccccc1CN(C)CCSC ZINC000093509506 370139299 /nfs/dbraw/zinc/13/92/99/370139299.db2.gz FXIMZYMAQNBQRS-UHFFFAOYSA-N 0 3 251.395 3.046 20 30 CGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCCC#N ZINC000102400466 370303909 /nfs/dbraw/zinc/30/39/09/370303909.db2.gz XVDYTNAVIUOEKY-UONOGXRCSA-N 0 3 295.427 3.058 20 30 CGEDHN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)cc1 ZINC000109784244 370366193 /nfs/dbraw/zinc/36/61/93/370366193.db2.gz KYUIBWIRQVVTFS-CYBMUJFWSA-N 0 3 266.344 3.457 20 30 CGEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1cccc(C#N)c1 ZINC000118850108 370627852 /nfs/dbraw/zinc/62/78/52/370627852.db2.gz WKCBDCMBNGMBTE-KMFMINBZSA-N 0 3 297.402 3.150 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C2CCCC2)CC1 ZINC000118392509 370613573 /nfs/dbraw/zinc/61/35/73/370613573.db2.gz PXVMGTXALZYNMD-OAHLLOKOSA-N 0 3 283.419 3.179 20 30 CGEDHN N#Cc1ccc(CNCC2([C@@H](O)c3ccccc3)CC2)s1 ZINC000129828012 371003108 /nfs/dbraw/zinc/00/31/08/371003108.db2.gz JAPRBJRWSIKHLQ-INIZCTEOSA-N 0 3 298.411 3.223 20 30 CGEDHN COCc1ccc([C@@H]2CCCN2CCCSCC#N)o1 ZINC000130795299 371060223 /nfs/dbraw/zinc/06/02/23/371060223.db2.gz DXXXBMQHVMEULY-AWEZNQCLSA-N 0 3 294.420 3.210 20 30 CGEDHN CCc1ccccc1CNCc1ccc(C#N)s1 ZINC000135693221 371445685 /nfs/dbraw/zinc/44/56/85/371445685.db2.gz FFUGXBDLUYRDLE-UHFFFAOYSA-N 0 3 256.374 3.472 20 30 CGEDHN N#Cc1ccc(CN(CCOC2CCC2)C2CC2)cc1 ZINC000287431247 371654778 /nfs/dbraw/zinc/65/47/78/371654778.db2.gz UFEYIZMMKIHFNC-UHFFFAOYSA-N 0 3 270.376 3.092 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)ccn1 ZINC000287618778 371682467 /nfs/dbraw/zinc/68/24/67/371682467.db2.gz SUPQZDFBKDFTQK-FMKPAKJESA-N 0 3 260.381 3.022 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C2CC2)C1 ZINC000344064466 217035256 /nfs/dbraw/zinc/03/52/56/217035256.db2.gz OIJLKEREWPIFKA-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000156146456 371963819 /nfs/dbraw/zinc/96/38/19/371963819.db2.gz XFJUOINKPHMDLZ-INIZCTEOSA-N 0 3 288.435 3.322 20 30 CGEDHN CC#CCCN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000156765516 371993874 /nfs/dbraw/zinc/99/38/74/371993874.db2.gz ULEUYWWYLJVGMZ-CYBMUJFWSA-N 0 3 262.422 3.428 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@@H](Nc2ccccc2)C1 ZINC000157917055 372041224 /nfs/dbraw/zinc/04/12/24/372041224.db2.gz COOMCOQBIBXRCA-OAHLLOKOSA-N 0 3 257.381 3.113 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(-n2cncn2)c(C)c1 ZINC000426546920 372163191 /nfs/dbraw/zinc/16/31/91/372163191.db2.gz XVFVGQKHXSIYFI-MRXNPFEDSA-N 0 3 282.391 3.116 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(OCCOC)cc1 ZINC000426570516 372164441 /nfs/dbraw/zinc/16/44/41/372164441.db2.gz MILBJVSVYDQAQO-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@](CC)(CO)C2)cc1 ZINC000428489633 372222753 /nfs/dbraw/zinc/22/27/53/372222753.db2.gz WJISVXOXQCTOLK-SFHVURJKSA-N 0 3 289.419 3.236 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000292344846 372188147 /nfs/dbraw/zinc/18/81/47/372188147.db2.gz YHWWTWVLUWMXFC-OAHLLOKOSA-N 0 3 274.408 3.008 20 30 CGEDHN CSC[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000429284501 372337995 /nfs/dbraw/zinc/33/79/95/372337995.db2.gz MBNIRJLGVBKXFK-HNNXBMFYSA-N 0 3 274.433 3.442 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1csc(CCC)n1 ZINC000429715749 372377129 /nfs/dbraw/zinc/37/71/29/372377129.db2.gz IUFBULVCIOZFKV-UHFFFAOYSA-N 0 3 281.469 3.035 20 30 CGEDHN CCOc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000429724283 372377771 /nfs/dbraw/zinc/37/77/71/372377771.db2.gz WNFRDMJWWRQURN-GJZGRUSLSA-N 0 3 258.365 3.209 20 30 CGEDHN Cc1nc2ccc(CNCC3(CC#N)CC3)cc2s1 ZINC000430000942 372381772 /nfs/dbraw/zinc/38/17/72/372381772.db2.gz BRSIFTOELOMIGH-UHFFFAOYSA-N 0 3 271.389 3.388 20 30 CGEDHN Cc1ccc(NC(=O)C[C@@H](C)NCC2(CC#N)CC2)c(C)c1 ZINC000430752543 372395915 /nfs/dbraw/zinc/39/59/15/372395915.db2.gz GWPCBTFAMGBYRY-OAHLLOKOSA-N 0 3 299.418 3.304 20 30 CGEDHN C=CCOCCN(CCc1ccccc1)Cc1cccnc1 ZINC000293685378 372450085 /nfs/dbraw/zinc/45/00/85/372450085.db2.gz AWYJMQOUFGIDTP-UHFFFAOYSA-N 0 3 296.414 3.329 20 30 CGEDHN CC[C@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000163266409 372457390 /nfs/dbraw/zinc/45/73/90/372457390.db2.gz FAMJNLUTZMVRBS-WCQYABFASA-N 0 3 291.420 3.117 20 30 CGEDHN C=CCC(C)(C)CNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000432106006 372537015 /nfs/dbraw/zinc/53/70/15/372537015.db2.gz GWXGWPGONPJUMO-CABCVRRESA-N 0 3 295.471 3.008 20 30 CGEDHN C[C@@H](NC[C@H]1CSCCS1)c1cccc(C#N)c1 ZINC000164608287 372525381 /nfs/dbraw/zinc/52/53/81/372525381.db2.gz TYZGBJGNXPVCIY-RISCZKNCSA-N 0 3 278.446 3.057 20 30 CGEDHN CC(C)c1nc(CN[C@@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433017111 372578257 /nfs/dbraw/zinc/57/82/57/372578257.db2.gz XMNYZJCNQYKZHD-HNNXBMFYSA-N 0 3 297.406 3.453 20 30 CGEDHN CCC(CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000433122618 372581452 /nfs/dbraw/zinc/58/14/52/372581452.db2.gz WGZQTIRMDGAIEL-AWEZNQCLSA-N 0 3 258.365 3.064 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC(C1CC1)C1CC1 ZINC000433233440 372584237 /nfs/dbraw/zinc/58/42/37/372584237.db2.gz PFVKRZJMCIZDPV-MRXNPFEDSA-N 0 3 282.387 3.064 20 30 CGEDHN CN(CCCCCN(C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433309033 372588553 /nfs/dbraw/zinc/58/85/53/372588553.db2.gz WIKFNQSBCPMLJW-UHFFFAOYSA-N 0 3 292.471 3.120 20 30 CGEDHN COc1ccc(CC[C@H](C)NCC(C)(C)C#N)cc1 ZINC000169280103 372627659 /nfs/dbraw/zinc/62/76/59/372627659.db2.gz UXESIHHTZXOJMV-ZDUSSCGKSA-N 0 3 260.381 3.156 20 30 CGEDHN C[C@@H](c1ccncc1)N(C)CCOc1ccccc1C#N ZINC000171934143 372857580 /nfs/dbraw/zinc/85/75/80/372857580.db2.gz HROVLTHUWSFCHZ-AWEZNQCLSA-N 0 3 281.359 3.025 20 30 CGEDHN N#C[C@@H]1CC[C@H](NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000442647822 373060653 /nfs/dbraw/zinc/06/06/53/373060653.db2.gz MAFHYEIEDFUBQU-PMPSAXMXSA-N 0 3 287.407 3.088 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000442714568 373066791 /nfs/dbraw/zinc/06/67/91/373066791.db2.gz KCDBFBOLNLMCDJ-NVXWUHKLSA-N 0 3 298.434 3.244 20 30 CGEDHN Cc1ccc([C@H](CN[C@H]2CC[C@H](C#N)C2)N2CCCC2)o1 ZINC000442793107 373083662 /nfs/dbraw/zinc/08/36/62/373083662.db2.gz POBOZOHYADFVSS-JYJNAYRXSA-N 0 3 287.407 3.007 20 30 CGEDHN Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000442794959 373085872 /nfs/dbraw/zinc/08/58/72/373085872.db2.gz QZWOWJUSGKYAQF-NVXWUHKLSA-N 0 3 294.402 3.271 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C12CCC2 ZINC000296315921 373086378 /nfs/dbraw/zinc/08/63/78/373086378.db2.gz PZDHWPCZGMWQOI-JKSUJKDBSA-N 0 3 288.366 3.135 20 30 CGEDHN CC(C#N)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000442726984 373069570 /nfs/dbraw/zinc/06/95/70/373069570.db2.gz URPMQANCTDJTDZ-ZJUUUORDSA-N 0 3 284.281 3.085 20 30 CGEDHN CC1(C)[C@H](NCc2ccc(Cl)cc2C#N)[C@@H]2CCO[C@@H]21 ZINC000296429121 373131508 /nfs/dbraw/zinc/13/15/08/373131508.db2.gz VZQVDTCSPHCIQF-ZNMIVQPWSA-N 0 3 290.794 3.115 20 30 CGEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(C)C#N ZINC000444626035 373214537 /nfs/dbraw/zinc/21/45/37/373214537.db2.gz LNTMKSXAOQDGGH-ZYHUDNBSSA-N 0 3 284.281 3.264 20 30 CGEDHN C=CC[C@@H]1N(C(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1(C)C ZINC000444641491 373219139 /nfs/dbraw/zinc/21/91/39/373219139.db2.gz VDMUWVJEBCTJAP-XHSDSOJGSA-N 0 3 292.467 3.453 20 30 CGEDHN COCc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000174257142 373275893 /nfs/dbraw/zinc/27/58/93/373275893.db2.gz DZKWKAPDKNXLMD-UHFFFAOYSA-N 0 3 296.370 3.003 20 30 CGEDHN C[C@H](c1cnn(C)c1)N(C)CCCCC(C)(C)C#N ZINC000444690957 373237090 /nfs/dbraw/zinc/23/70/90/373237090.db2.gz WEGNYOFSFKLUNA-CYBMUJFWSA-N 0 3 262.401 3.133 20 30 CGEDHN C=C(Cl)CNC1(Cc2cccc(F)c2)CCOCC1 ZINC000298049616 373289069 /nfs/dbraw/zinc/28/90/69/373289069.db2.gz FCZGWONEFHNSGQ-UHFFFAOYSA-N 0 3 283.774 3.260 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C)C1CCC(C)(C)CC1 ZINC000446710655 373341360 /nfs/dbraw/zinc/34/13/60/373341360.db2.gz GYWYEFPWWQODAF-UHFFFAOYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446845394 373372131 /nfs/dbraw/zinc/37/21/31/373372131.db2.gz ZOUOACVLDCNPON-GHMZBOCLSA-N 0 3 288.351 3.161 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1ccc(C#N)cc1 ZINC000447589098 373459781 /nfs/dbraw/zinc/45/97/81/373459781.db2.gz WMSOCTWARQNWJT-MRXNPFEDSA-N 0 3 258.365 3.192 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC000448921776 373649328 /nfs/dbraw/zinc/64/93/28/373649328.db2.gz OIUXJUAOJMSIOC-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(CC)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449002219 373654120 /nfs/dbraw/zinc/65/41/20/373654120.db2.gz JTVGUYSMQJMYEQ-AWEZNQCLSA-N 0 3 295.448 3.092 20 30 CGEDHN C=CCOc1ccc(CN(C)CC(C)(C)CO)cc1Cl ZINC000449428254 373703039 /nfs/dbraw/zinc/70/30/39/373703039.db2.gz TUTSFXPNFHPLNP-UHFFFAOYSA-N 0 3 297.826 3.355 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCCCC)cc1 ZINC000449523770 373822232 /nfs/dbraw/zinc/82/22/32/373822232.db2.gz YJROYUPETJSBIN-SJORKVTESA-N 0 3 275.392 3.299 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H]1COc2ccccc21 ZINC000179006543 373828284 /nfs/dbraw/zinc/82/82/84/373828284.db2.gz IIVAASMOHXUELS-MLGOLLRUSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CCCC1 ZINC000449612872 373836111 /nfs/dbraw/zinc/83/61/11/373836111.db2.gz PCLJFTPZBHGHQZ-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OCC)[C@@H](C)C2)cc1 ZINC000449492356 373784430 /nfs/dbraw/zinc/78/44/30/373784430.db2.gz JBRDVCDHQJNQAJ-MAUKXSAKSA-N 0 3 289.419 3.498 20 30 CGEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000449497977 373793529 /nfs/dbraw/zinc/79/35/29/373793529.db2.gz KXHAKMHOVHYRKQ-WMLDXEAASA-N 0 3 272.392 3.114 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449697441 373843951 /nfs/dbraw/zinc/84/39/51/373843951.db2.gz KZHILXBJLILLST-JQWIXIFHSA-N 0 3 285.309 3.008 20 30 CGEDHN C=C(CC)CNCc1ccnn1-c1ccc(F)cc1 ZINC000449732291 373857765 /nfs/dbraw/zinc/85/77/65/373857765.db2.gz BCDNSVIBTPBDBJ-UHFFFAOYSA-N 0 3 259.328 3.067 20 30 CGEDHN CC(C)[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000449734753 373861094 /nfs/dbraw/zinc/86/10/94/373861094.db2.gz DHHGWFAXBJSRNX-DZGCQCFKSA-N 0 3 278.396 3.317 20 30 CGEDHN C=C(CC)CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000449737267 373865024 /nfs/dbraw/zinc/86/50/24/373865024.db2.gz YUARZQDULCJBNF-UHFFFAOYSA-N 0 3 273.355 3.126 20 30 CGEDHN C=CCN(CCOC)c1ccnc2ccc(C)cc21 ZINC000302743412 373948820 /nfs/dbraw/zinc/94/88/20/373948820.db2.gz ZWTVBFYRXUWDRM-UHFFFAOYSA-N 0 3 256.349 3.182 20 30 CGEDHN CC(C)(C)C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000449778414 373907376 /nfs/dbraw/zinc/90/73/76/373907376.db2.gz SDZGOKRCKIUVRK-AWEZNQCLSA-N 0 3 296.418 3.464 20 30 CGEDHN C=CCN(CCO[C@@H]1CCCCO1)CCc1ccccc1 ZINC000181662937 374152627 /nfs/dbraw/zinc/15/26/27/374152627.db2.gz OLGQWUFLFKTJLV-GOSISDBHSA-N 0 3 289.419 3.260 20 30 CGEDHN C=CCN(CCN1CCCCC1)Cc1cccc(C#N)c1 ZINC000078833604 541918416 /nfs/dbraw/zinc/91/84/16/541918416.db2.gz WZVRQCMKTAXECO-UHFFFAOYSA-N 0 3 283.419 3.032 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C(C)(C)C)C1 ZINC000317696653 374340438 /nfs/dbraw/zinc/34/04/38/374340438.db2.gz CQRFFOSHUXSJAI-UKRRQHHQSA-N 0 3 299.418 3.253 20 30 CGEDHN CC[C@@H]1CCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000329180911 374400323 /nfs/dbraw/zinc/40/03/23/374400323.db2.gz NFKDOAOENJAHHY-GHMZBOCLSA-N 0 3 293.436 3.388 20 30 CGEDHN C[C@@H]1CCN(C([O-])=[NH+]CCC(C)(C)C)C[C@@H]1n1ccnc1 ZINC000330996385 374495712 /nfs/dbraw/zinc/49/57/12/374495712.db2.gz ZZURGVGSPBBMOQ-KGLIPLIRSA-N 0 3 292.427 3.116 20 30 CGEDHN C[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C1 ZINC000332143671 374556564 /nfs/dbraw/zinc/55/65/64/374556564.db2.gz MXVKLNCIXPTKQW-GFCCVEGCSA-N 0 3 296.374 3.229 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000185198133 374609833 /nfs/dbraw/zinc/60/98/33/374609833.db2.gz UIQVLUJLOABKFQ-IRXDYDNUSA-N 0 3 272.392 3.242 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185385015 374653721 /nfs/dbraw/zinc/65/37/21/374653721.db2.gz MREKWMUVZBKNTF-ZDUSSCGKSA-N 0 3 292.398 3.222 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185830927 374747324 /nfs/dbraw/zinc/74/73/24/374747324.db2.gz OGHOEJALXKFJGJ-ZBFHGGJFSA-N 0 3 270.376 3.423 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000186700352 374901529 /nfs/dbraw/zinc/90/15/29/374901529.db2.gz QWWUUSPWZUKUNO-HIFRSBDPSA-N 0 3 293.407 3.072 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC(c2ccsc2)CC1 ZINC000186912964 374939077 /nfs/dbraw/zinc/93/90/77/374939077.db2.gz PPHJGZXXUJTQNG-OAHLLOKOSA-N 0 3 265.422 3.255 20 30 CGEDHN C=CCCCN(C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187340958 375007327 /nfs/dbraw/zinc/00/73/27/375007327.db2.gz RYSATAXJUGFPCQ-UHFFFAOYSA-N 0 3 287.382 3.469 20 30 CGEDHN C=CCCCCNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000472040517 375009513 /nfs/dbraw/zinc/00/95/13/375009513.db2.gz FLSGBYNSYDZSSR-ZDUSSCGKSA-N 0 3 275.392 3.465 20 30 CGEDHN CC(C#N)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000472454304 375023073 /nfs/dbraw/zinc/02/30/73/375023073.db2.gz OBTPYAUNZMWTEH-CQSZACIVSA-N 0 3 278.355 3.172 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)OC(C)(C)C ZINC000187702705 375077636 /nfs/dbraw/zinc/07/76/36/375077636.db2.gz BFZFHAVFYLPVCS-ZDUSSCGKSA-N 0 3 288.391 3.283 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCc1nccs1 ZINC000187711049 375079973 /nfs/dbraw/zinc/07/99/73/375079973.db2.gz PKUSWRKXJSJXGE-GFCCVEGCSA-N 0 3 271.389 3.250 20 30 CGEDHN C=CCCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000474099598 375080692 /nfs/dbraw/zinc/08/06/92/375080692.db2.gz VBFKRAUGCOTRLL-UHFFFAOYSA-N 0 3 293.455 3.003 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474864674 375128707 /nfs/dbraw/zinc/12/87/07/375128707.db2.gz PFLXYEGGOPFPBE-UTUOFQBUSA-N 0 3 278.783 3.450 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000475640741 375134978 /nfs/dbraw/zinc/13/49/78/375134978.db2.gz IHLPYSGVKWBMRM-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN COC(=O)C[C@H](NCC#Cc1ccccc1)C1CCCCC1 ZINC000483699573 375183215 /nfs/dbraw/zinc/18/32/15/375183215.db2.gz MVMFFCKLLFVYLY-SFHVURJKSA-N 0 3 299.414 3.140 20 30 CGEDHN C[C@H]1CCCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000187919360 375116902 /nfs/dbraw/zinc/11/69/02/375116902.db2.gz KWCAIJQEEJZTAQ-ZDUSSCGKSA-N 0 3 296.374 3.230 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@]2(CCOC2)C1 ZINC000335241962 375255569 /nfs/dbraw/zinc/25/55/69/375255569.db2.gz UDIUWQUQLYBGAX-YOEHRIQHSA-N 0 3 270.376 3.122 20 30 CGEDHN C=CCN(CC(=O)N1CCC(C)CC1)CC1CCCCC1 ZINC000484540340 375188804 /nfs/dbraw/zinc/18/88/04/375188804.db2.gz GFJPKRNNARLRKL-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN COCCN(CC#Cc1ccccc1)C[C@H]1CC=CCC1 ZINC000485106272 375191260 /nfs/dbraw/zinc/19/12/60/375191260.db2.gz NROIYNYUWVFFAY-IBGZPJMESA-N 0 3 283.415 3.343 20 30 CGEDHN C=CCN(CC[C@H]1CCCO1)Cc1cccc(C#N)c1 ZINC000188916343 375291143 /nfs/dbraw/zinc/29/11/43/375291143.db2.gz MMVBQIMQMBMAAX-QGZVFWFLSA-N 0 3 270.376 3.115 20 30 CGEDHN C=CCCCCCN1CCN(Cc2cccc(O)c2)CC1 ZINC000488225084 375306777 /nfs/dbraw/zinc/30/67/77/375306777.db2.gz BMQHSHNIOJQMAE-UHFFFAOYSA-N 0 3 288.435 3.256 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000335820023 375457060 /nfs/dbraw/zinc/45/70/60/375457060.db2.gz RXIOOYVQCRPKNI-INIZCTEOSA-N 0 3 276.355 3.088 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CCOCC3)C2)cc1F ZINC000335820814 375458045 /nfs/dbraw/zinc/45/80/45/375458045.db2.gz QGXVQELXHIAALY-UHFFFAOYSA-N 0 3 288.366 3.090 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H]1CCC=CO1 ZINC000189563224 375411737 /nfs/dbraw/zinc/41/17/37/375411737.db2.gz AHMYTFWVWCQRJB-OAHLLOKOSA-N 0 3 259.349 3.034 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@]3(CCCOC3)C2)s1 ZINC000335800995 375442431 /nfs/dbraw/zinc/44/24/31/375442431.db2.gz SPKWYFWIRLILHY-OAHLLOKOSA-N 0 3 276.405 3.012 20 30 CGEDHN CCN(CC)c1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190792578 375539611 /nfs/dbraw/zinc/53/96/11/375539611.db2.gz PTNUZKXYWFZEEP-UHFFFAOYSA-N 0 3 296.418 3.033 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCSC1 ZINC000494982303 375495608 /nfs/dbraw/zinc/49/56/08/375495608.db2.gz VVTDIHJHFOLTAW-AWEZNQCLSA-N 0 3 292.404 3.336 20 30 CGEDHN C=CCC1(C(=O)NCc2ccc(CN(C)C)cc2)CCC1 ZINC000191147783 375586367 /nfs/dbraw/zinc/58/63/67/375586367.db2.gz VMUPXHALCSAGIJ-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000191661621 375648825 /nfs/dbraw/zinc/64/88/25/375648825.db2.gz XCGCXWBXHVFGMS-KRWDZBQOSA-N 0 3 290.382 3.070 20 30 CGEDHN CS[C@@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192120811 375700530 /nfs/dbraw/zinc/70/05/30/375700530.db2.gz HBHKKDKFSKVPPD-CQSZACIVSA-N 0 3 278.396 3.415 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000336159196 375735481 /nfs/dbraw/zinc/73/54/81/375735481.db2.gz OSECVPXRDKSUEA-ZFWWWQNUSA-N 0 3 290.794 3.070 20 30 CGEDHN C=C(C)CCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000509383060 375779261 /nfs/dbraw/zinc/77/92/61/375779261.db2.gz CXCNPNXRZMABQQ-UHFFFAOYSA-N 0 3 278.371 3.441 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1CCCN1CCC ZINC000511915460 375793447 /nfs/dbraw/zinc/79/34/47/375793447.db2.gz GWPQNTWFCPTGPT-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN C=CCCCCN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000515126990 375809784 /nfs/dbraw/zinc/80/97/84/375809784.db2.gz HXJNAGAZTXFECI-YJBOKZPZSA-N 0 3 265.422 3.052 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000526986304 375891313 /nfs/dbraw/zinc/89/13/13/375891313.db2.gz KHZARZGKCMINMD-DMOGRIERSA-N 0 3 262.319 3.493 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(Br)cs1 ZINC000194173170 375967270 /nfs/dbraw/zinc/96/72/70/375967270.db2.gz JDNOOJKPASRTAB-SCZZXKLOSA-N 0 3 290.226 3.098 20 30 CGEDHN C=C(C)CN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535377319 376036786 /nfs/dbraw/zinc/03/67/86/376036786.db2.gz DSCVPKRPIVFGQW-AWEZNQCLSA-N 0 3 251.757 3.369 20 30 CGEDHN N#Cc1ccc(CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000536371092 376087443 /nfs/dbraw/zinc/08/74/43/376087443.db2.gz MXJTUPPFNLJVFJ-UHFFFAOYSA-N 0 3 292.386 3.030 20 30 CGEDHN N#Cc1ccc(NC(=O)CN2CCCC23CCCCC3)cc1 ZINC000536178220 376083030 /nfs/dbraw/zinc/08/30/30/376083030.db2.gz AEEGNXGRJCOBDH-UHFFFAOYSA-N 0 3 297.402 3.295 20 30 CGEDHN C[C@@H](NCCOc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537400018 376167437 /nfs/dbraw/zinc/16/74/37/376167437.db2.gz HPCPWBIOJRYYNA-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN C=CC1CCN(Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000537626714 376185348 /nfs/dbraw/zinc/18/53/48/376185348.db2.gz CRZIONBFTXWUKT-CYBMUJFWSA-N 0 3 287.403 3.417 20 30 CGEDHN C[C@H](C#N)CN(C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000338286596 376315095 /nfs/dbraw/zinc/31/50/95/376315095.db2.gz NJSHKNHBKDDYQS-NEPJUHHUSA-N 0 3 256.340 3.436 20 30 CGEDHN CCN1C[C@H](C)N(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C ZINC000538978750 376283541 /nfs/dbraw/zinc/28/35/41/376283541.db2.gz JDKGBFGFWQWKAJ-KBPBESRZSA-N 0 3 294.402 3.025 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCSC(C)(C)CC1 ZINC000228088687 376428510 /nfs/dbraw/zinc/42/85/10/376428510.db2.gz SZCQLBHQCGZLLG-UHFFFAOYSA-N 0 3 290.432 3.284 20 30 CGEDHN CC#CCN[C@@H](COc1ccccc1F)C(C)(C)C ZINC000540589473 376383160 /nfs/dbraw/zinc/38/31/60/376383160.db2.gz YTSKUDSERNWIPW-HNNXBMFYSA-N 0 3 263.356 3.232 20 30 CGEDHN CC1(C)CCN(Cc2cccc(C#N)c2)CCS1 ZINC000228087793 376426593 /nfs/dbraw/zinc/42/65/93/376426593.db2.gz LJLXDCUXOOXLNK-UHFFFAOYSA-N 0 3 260.406 3.276 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000542577304 376559980 /nfs/dbraw/zinc/55/99/80/376559980.db2.gz BPBHKYVQBWQCPE-HIFRSBDPSA-N 0 3 277.795 3.096 20 30 CGEDHN N#CCCOCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000338915221 376573301 /nfs/dbraw/zinc/57/33/01/376573301.db2.gz PBBBXVDFEYGHMP-HNNXBMFYSA-N 0 3 278.783 3.407 20 30 CGEDHN C[C@@H](CNc1cccc(F)c1C#N)N1CCCC[C@H]1C ZINC000339003900 376624654 /nfs/dbraw/zinc/62/46/54/376624654.db2.gz SKRLQUJCPKVFSW-OLZOCXBDSA-N 0 3 275.371 3.372 20 30 CGEDHN COc1cc(CN2C[C@@H](C)CC[C@@H]2C)ccc1C#N ZINC000235003389 376629729 /nfs/dbraw/zinc/62/97/29/376629729.db2.gz CCATXZQKULHXFW-STQMWFEESA-N 0 3 258.365 3.187 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000543780961 376676931 /nfs/dbraw/zinc/67/69/31/376676931.db2.gz NYICUQMRSOZQCE-UHFFFAOYSA-N 0 3 286.404 3.264 20 30 CGEDHN COCc1cc(CNCc2ccc(C#N)cc2)ccc1F ZINC000237199387 376735698 /nfs/dbraw/zinc/73/56/98/376735698.db2.gz WETJYWQBOXEQFT-UHFFFAOYSA-N 0 3 284.334 3.134 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544442718 376737778 /nfs/dbraw/zinc/73/77/78/376737778.db2.gz UMYPGOKICXBMRY-XOKHGSTOSA-N 0 3 286.419 3.348 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(CSC)s1 ZINC000339385099 376750420 /nfs/dbraw/zinc/75/04/20/376750420.db2.gz LHIMAFGYFOZOOJ-SMDDNHRTSA-N 0 3 298.477 3.077 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)CCc1c(F)cccc1F ZINC000555321048 376856048 /nfs/dbraw/zinc/85/60/48/376856048.db2.gz MBQAHBBNRMVAOA-QWRGUYRKSA-N 0 3 252.308 3.035 20 30 CGEDHN CC[C@@H](C)CN(CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245764806 376903371 /nfs/dbraw/zinc/90/33/71/376903371.db2.gz JDLQGYHNDLKJGP-PBHICJAKSA-N 0 3 299.418 3.032 20 30 CGEDHN C=CCCCN(C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000246776014 377087949 /nfs/dbraw/zinc/08/79/49/377087949.db2.gz OIIWQCVXVOQIJR-JKSUJKDBSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000247315880 377192510 /nfs/dbraw/zinc/19/25/10/377192510.db2.gz HSLPHBWXSOCJTM-BBRMVZONSA-N 0 3 292.448 3.213 20 30 CGEDHN CCCC[C@@H](C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563217153 377423325 /nfs/dbraw/zinc/42/33/25/377423325.db2.gz MCGZQQSJLHTDTA-GFCCVEGCSA-N 0 3 275.352 3.477 20 30 CGEDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000249121311 377467722 /nfs/dbraw/zinc/46/77/22/377467722.db2.gz ZIJMGORSVMUBOZ-MIFYACCESA-N 0 3 286.419 3.221 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1ncccc1N(C)C ZINC000564495932 377477222 /nfs/dbraw/zinc/47/72/22/377477222.db2.gz INCFLWQTTGGDGO-CQSZACIVSA-N 0 3 261.413 3.372 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@H](C)O3)n1 ZINC000565246036 377486130 /nfs/dbraw/zinc/48/61/30/377486130.db2.gz LFUPHJDIWXBTEM-GXFFZTMASA-N 0 3 298.367 3.265 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC2(CCCC2)CC1 ZINC000568933510 377525165 /nfs/dbraw/zinc/52/51/65/377525165.db2.gz NIKIIPSZJYPERT-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN CCCN(C)[C@@H](CNCCC#N)c1ccc(Cl)cc1 ZINC000567707558 377510192 /nfs/dbraw/zinc/51/01/92/377510192.db2.gz YHGOCPUWZVILRP-HNNXBMFYSA-N 0 3 279.815 3.226 20 30 CGEDHN N#Cc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000265077839 190156290 /nfs/dbraw/zinc/15/62/90/190156290.db2.gz YZTOZXYWJANZOZ-LJQANCHMSA-N 0 3 292.382 3.040 20 30 CGEDHN CCOC(C)(C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000275770494 249066747 /nfs/dbraw/zinc/06/67/47/249066747.db2.gz UWADCIIYNKIAAU-LLVKDONJSA-N 0 3 264.344 3.163 20 30 CGEDHN Cc1cc(CN2CC[C@@H](OCC(C)C)C2)ccc1C#N ZINC000488228633 249172730 /nfs/dbraw/zinc/17/27/30/249172730.db2.gz GCRPZPRZFUFWAQ-QGZVFWFLSA-N 0 3 272.392 3.114 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(OCC)c(OC)c1 ZINC000341470053 377579318 /nfs/dbraw/zinc/57/93/18/377579318.db2.gz NJXRNQIBKZTYLI-HIFRSBDPSA-N 0 3 293.407 3.072 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)[C@H](C)OC)cc1Cl ZINC000342342669 377640301 /nfs/dbraw/zinc/64/03/01/377640301.db2.gz FLMYDEQRTYSWNC-NEPJUHHUSA-N 0 3 283.799 3.418 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccc([N+](=O)[O-])cc1F ZINC000342298047 377637916 /nfs/dbraw/zinc/63/79/16/377637916.db2.gz LHQQUBPJFOUNNK-UHFFFAOYSA-N 0 3 279.315 3.153 20 30 CGEDHN COc1ncc([C@@H](C)NCC2(CC#N)CC2)cc1Cl ZINC000342624477 377694810 /nfs/dbraw/zinc/69/48/10/377694810.db2.gz ZXFKSJNJPCNBII-SNVBAGLBSA-N 0 3 279.771 3.088 20 30 CGEDHN Cc1cc(OCCOc2ccc(C#N)cc2)c(C)c(C)n1 ZINC000574612938 377685830 /nfs/dbraw/zinc/68/58/30/377685830.db2.gz CGXULHZBXLZLHP-UHFFFAOYSA-N 0 3 282.343 3.336 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)ncn2C ZINC000342683122 377733679 /nfs/dbraw/zinc/73/36/79/377733679.db2.gz QOSNILJITSPRRN-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN CCCN(CCN1CCCC1)c1c(F)cc(C#N)cc1F ZINC000343264768 377942792 /nfs/dbraw/zinc/94/27/92/377942792.db2.gz LPUJFPIMKNTLIQ-UHFFFAOYSA-N 0 3 293.361 3.149 20 30 CGEDHN C=CCOc1cccc(CN(C)CC[C@H]2CCCO2)c1 ZINC000343459378 377985581 /nfs/dbraw/zinc/98/55/81/377985581.db2.gz DCFAQKCVMZZZLG-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN N#Cc1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000265077837 377998052 /nfs/dbraw/zinc/99/80/52/377998052.db2.gz YZTOZXYWJANZOZ-IBGZPJMESA-N 0 3 292.382 3.040 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)CCC ZINC000343642368 378049720 /nfs/dbraw/zinc/04/97/20/378049720.db2.gz FCTNYRWHAFDXGJ-AWEZNQCLSA-N 0 3 294.464 3.383 20 30 CGEDHN C=CCC(CC=C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000343668824 378059593 /nfs/dbraw/zinc/05/95/93/378059593.db2.gz JERNDCZLBPCFIN-INIZCTEOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000268564475 378075176 /nfs/dbraw/zinc/07/51/76/378075176.db2.gz PUUAXFFPHWKLPV-GXTWGEPZSA-N 0 3 280.437 3.088 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1sc(C)nc1C ZINC000268580659 378076490 /nfs/dbraw/zinc/07/64/90/378076490.db2.gz SWRSXKWQXNDAJF-DGCLKSJQSA-N 0 3 268.426 3.080 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccccc1Cl ZINC000268690534 378091106 /nfs/dbraw/zinc/09/11/06/378091106.db2.gz ZQUOATXEDAOGAF-NWDGAFQWSA-N 0 3 253.773 3.318 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000343844050 378110818 /nfs/dbraw/zinc/11/08/18/378110818.db2.gz MSCRKGLSZIPRBE-KRWDZBQOSA-N 0 3 290.407 3.168 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000579805866 378196180 /nfs/dbraw/zinc/19/61/80/378196180.db2.gz PJBDRJRZBUJEKX-NCOADZHNSA-N 0 3 282.387 3.064 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CCC1 ZINC000344776322 378178944 /nfs/dbraw/zinc/17/89/44/378178944.db2.gz PLTNJBVZHOCHKC-OAHLLOKOSA-N 0 3 290.451 3.066 20 30 CGEDHN CCC(CC)[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)CCO1 ZINC000580186595 378230941 /nfs/dbraw/zinc/23/09/41/378230941.db2.gz AITCCEOFNQEBTM-IMJJTQAJSA-N 0 3 277.412 3.003 20 30 CGEDHN COc1ccc(CNCCSCC(C)C)cc1C#N ZINC000270172670 378316893 /nfs/dbraw/zinc/31/68/93/378316893.db2.gz VSNHSRPQYXFNMM-UHFFFAOYSA-N 0 3 278.421 3.046 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@H]2CCCC[C@@H]12 ZINC000583880182 378355747 /nfs/dbraw/zinc/35/57/47/378355747.db2.gz PVXMXBOZOLOFRD-COXVUDFISA-N 0 3 269.392 3.354 20 30 CGEDHN CC(C)(C)[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000270675008 378385912 /nfs/dbraw/zinc/38/59/12/378385912.db2.gz RIAKZLJRXNCTJT-ZBFHGGJFSA-N 0 3 290.382 3.381 20 30 CGEDHN C#CCCCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000271037342 378436025 /nfs/dbraw/zinc/43/60/25/378436025.db2.gz MBWIYPLTOCCWBR-GOSISDBHSA-N 0 3 287.403 3.090 20 30 CGEDHN C#CCCCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000271037343 378436256 /nfs/dbraw/zinc/43/62/56/378436256.db2.gz MBWIYPLTOCCWBR-SFHVURJKSA-N 0 3 287.403 3.090 20 30 CGEDHN CC[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000271734630 378502151 /nfs/dbraw/zinc/50/21/51/378502151.db2.gz ZFTUWQGQUKFIFH-MRXNPFEDSA-N 0 3 299.418 3.070 20 30 CGEDHN C[C@H](NC[C@@H](O)c1ccsc1)c1ccc(C#N)c(F)c1 ZINC000271986313 378537569 /nfs/dbraw/zinc/53/75/69/378537569.db2.gz YAYIPDXTVIBRLO-ZUZCIYMTSA-N 0 3 290.363 3.143 20 30 CGEDHN C#CCCOc1ccc(CN[C@@H](C)[C@H]2CCCCO2)cc1 ZINC000272021507 378546974 /nfs/dbraw/zinc/54/69/74/378546974.db2.gz RWIPXIZAZNKZGW-MAUKXSAKSA-N 0 3 287.403 3.136 20 30 CGEDHN C[C@@H](N[C@@H]1CCCSC1)c1ccc(C#N)c(F)c1 ZINC000271960454 378530430 /nfs/dbraw/zinc/53/04/30/378530430.db2.gz RDDPYRKIAZZNGU-ZWNOBZJWSA-N 0 3 264.369 3.244 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N1CCCC2(CCCCC2)CC1 ZINC000346634673 378654406 /nfs/dbraw/zinc/65/44/06/378654406.db2.gz GEXVDNFIHXNWAD-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000638071228 378687402 /nfs/dbraw/zinc/68/74/02/378687402.db2.gz AICMOXUIPVWFCU-UHFFFAOYSA-N 0 3 252.308 3.417 20 30 CGEDHN C=CCCCN(C)[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000638098167 378698805 /nfs/dbraw/zinc/69/88/05/378698805.db2.gz KAWMYLPLQFGYFP-AWEZNQCLSA-N 0 3 262.401 3.324 20 30 CGEDHN C=CCCCN(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000638098167 378698808 /nfs/dbraw/zinc/69/88/08/378698808.db2.gz KAWMYLPLQFGYFP-AWEZNQCLSA-N 0 3 262.401 3.324 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cc(C)ccc1OC ZINC000348029604 378757647 /nfs/dbraw/zinc/75/76/47/378757647.db2.gz GBUCXAHXQVASTM-AWEZNQCLSA-N 0 3 263.381 3.247 20 30 CGEDHN C=CCC[C@@H](C)NCc1nc2cc(C)ccc2n1C ZINC000274401035 378826608 /nfs/dbraw/zinc/82/66/08/378826608.db2.gz GSWCWZXNZCZNMX-CYBMUJFWSA-N 0 3 257.381 3.326 20 30 CGEDHN C=C(C)CCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000274765673 378890156 /nfs/dbraw/zinc/89/01/56/378890156.db2.gz GBZWDANPQBEAFT-FZKQIMNGSA-N 0 3 265.422 3.383 20 30 CGEDHN CC[C@H](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348298436 378892613 /nfs/dbraw/zinc/89/26/13/378892613.db2.gz QFURKULINDVKCG-VBQJREDUSA-N 0 3 297.402 3.181 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000274977752 378924229 /nfs/dbraw/zinc/92/42/29/378924229.db2.gz BBFRFKOWZQIPCI-BBRMVZONSA-N 0 3 280.375 3.222 20 30 CGEDHN C[C@](O)(CCNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000275068854 378933603 /nfs/dbraw/zinc/93/36/03/378933603.db2.gz UIIGPXDIHFRKJV-SFHVURJKSA-N 0 3 298.361 3.085 20 30 CGEDHN CO[C@@H](CNCC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000638897312 378948805 /nfs/dbraw/zinc/94/88/05/378948805.db2.gz GDSAGXKSXFBTCC-HNNXBMFYSA-N 0 3 297.320 3.072 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000348545310 378985939 /nfs/dbraw/zinc/98/59/39/378985939.db2.gz KNNWETIQYDCSEI-CABCVRRESA-N 0 3 295.810 3.250 20 30 CGEDHN N#CCCCNCc1ccc(Br)c(Cl)c1 ZINC000276953607 379029738 /nfs/dbraw/zinc/02/97/38/379029738.db2.gz PBJWVHHSDPQFCM-UHFFFAOYSA-N 0 3 287.588 3.496 20 30 CGEDHN C=CCCCNCc1nnn(-c2ccccc2)c1C1CC1 ZINC000639119748 379044712 /nfs/dbraw/zinc/04/47/12/379044712.db2.gz RGZQHXWRWQRQRI-UHFFFAOYSA-N 0 3 282.391 3.201 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000370722560 379059866 /nfs/dbraw/zinc/05/98/66/379059866.db2.gz TVUDORZZSOYNSE-SFHVURJKSA-N 0 3 277.371 3.018 20 30 CGEDHN CC[C@@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000347374686 218211191 /nfs/dbraw/zinc/21/11/91/218211191.db2.gz XHGKUKXEIUFTSE-IBGZPJMESA-N 0 3 294.398 3.331 20 30 CGEDHN CC1CCC(OC2CCN(CCCC#N)CC2)CC1 ZINC000370874890 379078530 /nfs/dbraw/zinc/07/85/30/379078530.db2.gz BHBVEBXRWOPCGV-UHFFFAOYSA-N 0 3 264.413 3.350 20 30 CGEDHN CC[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000278771004 194149104 /nfs/dbraw/zinc/14/91/04/194149104.db2.gz PDXDJFSPRAFPRD-QZTJIDSGSA-N 0 3 298.361 3.472 20 30 CGEDHN Cc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000266408336 190254743 /nfs/dbraw/zinc/25/47/43/190254743.db2.gz FZPGRUZQIXCTPB-KSSFIOAISA-N 0 3 280.371 3.251 20 30 CGEDHN Cc1cccc(OCCCNCc2ccc(C#N)o2)c1C ZINC000278788380 194155444 /nfs/dbraw/zinc/15/54/44/194155444.db2.gz QFRMXZMBUPOPSS-UHFFFAOYSA-N 0 3 284.359 3.327 20 30 CGEDHN CC[C@H](NC[C@@H](O)c1ccsc1)c1ccc(C#N)cc1 ZINC000278791575 194156956 /nfs/dbraw/zinc/15/69/56/194156956.db2.gz QJMLXVQNRQVCAX-JKSUJKDBSA-N 0 3 286.400 3.394 20 30 CGEDHN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1ccc(C#N)cc1 ZINC000266471992 190259744 /nfs/dbraw/zinc/25/97/44/190259744.db2.gz OFGIEBYIBDFCOA-WDEREUQCSA-N 0 3 286.297 3.176 20 30 CGEDHN C=CCOc1ccc(CN2CC(COC)(C3CC3)C2)cc1 ZINC000639380709 379339979 /nfs/dbraw/zinc/33/99/79/379339979.db2.gz UPXWVITXCANAFM-UHFFFAOYSA-N 0 3 287.403 3.110 20 30 CGEDHN CCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349814898 379397234 /nfs/dbraw/zinc/39/72/34/379397234.db2.gz WSRCXFZESKRTEC-HUUCEWRRSA-N 0 3 258.365 3.257 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000349833014 379412034 /nfs/dbraw/zinc/41/20/34/379412034.db2.gz XUPFKBUTJQQUHG-STQMWFEESA-N 0 3 298.308 3.410 20 30 CGEDHN COc1ccc2c(c1)CCN(CCC(C)(C)C#N)CC2 ZINC000374325086 379422473 /nfs/dbraw/zinc/42/24/73/379422473.db2.gz CQLJOXLDIMNICJ-UHFFFAOYSA-N 0 3 272.392 3.036 20 30 CGEDHN N#CCCCCN1CCCN(c2ccccc2F)CC1 ZINC000375837049 379510660 /nfs/dbraw/zinc/51/06/60/379510660.db2.gz FNCQIWCGKXGPMC-UHFFFAOYSA-N 0 3 275.371 3.032 20 30 CGEDHN C=CCCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639916757 379641958 /nfs/dbraw/zinc/64/19/58/379641958.db2.gz SCJLXQGKKAREFZ-ZDUSSCGKSA-N 0 3 257.736 3.068 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H]2Cc2ccccc2)s1 ZINC000267152832 190307460 /nfs/dbraw/zinc/30/74/60/190307460.db2.gz CSOPPOFPCXIISF-CJNGLKHVSA-N 0 3 268.385 3.341 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000351532159 379727329 /nfs/dbraw/zinc/72/73/29/379727329.db2.gz ZWZFXUCHKKGZLG-WFASDCNBSA-N 0 3 256.349 3.194 20 30 CGEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)CCC1(F)F ZINC000352018306 379750951 /nfs/dbraw/zinc/75/09/51/379750951.db2.gz PKMVXIUWYUWFNV-ZDUSSCGKSA-N 0 3 286.366 3.064 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000280656896 379756450 /nfs/dbraw/zinc/75/64/50/379756450.db2.gz OSSAQWGXRIDXLM-PBHICJAKSA-N 0 3 275.392 3.080 20 30 CGEDHN C=C(C)CCN(CCO)Cc1cccc(Br)c1 ZINC000352403385 379797972 /nfs/dbraw/zinc/79/79/72/379797972.db2.gz VFUIBVYRIVGHAI-UHFFFAOYSA-N 0 3 298.224 3.210 20 30 CGEDHN C=CC[C@H](CC)NCc1nccn1-c1ccccc1 ZINC000281498252 379836639 /nfs/dbraw/zinc/83/66/39/379836639.db2.gz WMBRUZOUCLSWMC-AWEZNQCLSA-N 0 3 255.365 3.317 20 30 CGEDHN C=CCCCCCn1cc(CNC2CCCC2)nn1 ZINC000641044105 379915710 /nfs/dbraw/zinc/91/57/10/379915710.db2.gz FVECQTRPFJRHCG-UHFFFAOYSA-N 0 3 262.401 3.057 20 30 CGEDHN C[C@H]1CSC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000352795748 379966158 /nfs/dbraw/zinc/96/61/58/379966158.db2.gz FENXBWBBKPYFRI-CABZTGNLSA-N 0 3 298.358 3.001 20 30 CGEDHN N#Cc1ccc(CNCCOCC2CC2)c(C(F)(F)F)c1 ZINC000352854678 380005736 /nfs/dbraw/zinc/00/57/36/380005736.db2.gz RGVIFJONXWBWKA-UHFFFAOYSA-N 0 3 298.308 3.093 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000411406117 380144610 /nfs/dbraw/zinc/14/46/10/380144610.db2.gz BKTHPXIERGBAJS-SWLSCSKDSA-N 0 3 278.783 3.485 20 30 CGEDHN Cc1cccc2c1OC[C@H](NCc1ccc(C#N)cc1F)C2 ZINC000353070826 380103346 /nfs/dbraw/zinc/10/33/46/380103346.db2.gz IOFNYMMXHHTADT-MRXNPFEDSA-N 0 3 296.345 3.099 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2n[nH]cc2c1 ZINC000353092157 380110402 /nfs/dbraw/zinc/11/04/02/380110402.db2.gz ROALNGFJNYOXRT-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN COc1cc(CNCc2cc(F)ccc2C)ccc1C#N ZINC000353196967 380163608 /nfs/dbraw/zinc/16/36/08/380163608.db2.gz VTVGCWZYAYJJFP-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN N#Cc1cc(CN2CCCC3(CCOCC3)C2)ccc1F ZINC000268219694 190387378 /nfs/dbraw/zinc/38/73/78/190387378.db2.gz LVXXPUNWQBDRNF-UHFFFAOYSA-N 0 3 288.366 3.090 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1N(C)C ZINC000414173338 380198752 /nfs/dbraw/zinc/19/87/52/380198752.db2.gz WWBDUXHYKLHHEU-GFCCVEGCSA-N 0 3 277.387 3.482 20 30 CGEDHN COc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)CC2 ZINC000414175002 380198759 /nfs/dbraw/zinc/19/87/59/380198759.db2.gz YRBMYVCGKMHBDM-HNNXBMFYSA-N 0 3 258.365 3.212 20 30 CGEDHN Cn1cc(CN[C@H](CCCC#N)c2ccccc2)cc1C#N ZINC000353916237 380232448 /nfs/dbraw/zinc/23/24/48/380232448.db2.gz PKGLBKQJFHDUOY-GOSISDBHSA-N 0 3 292.386 3.422 20 30 CGEDHN Cc1nn(-c2cccc(F)c2)cc1CNCC1(CC#N)CC1 ZINC000414450897 380243519 /nfs/dbraw/zinc/24/35/19/380243519.db2.gz YZLKTURTZIAIPR-UHFFFAOYSA-N 0 3 298.365 3.103 20 30 CGEDHN COc1cc(CN2CC(C)(C)C[C@H]2C)ccc1C#N ZINC000414522231 380294860 /nfs/dbraw/zinc/29/48/60/380294860.db2.gz GHBFKEHSNBLDGT-GFCCVEGCSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ccoc1C(=O)OC ZINC000414528605 380302417 /nfs/dbraw/zinc/30/24/17/380302417.db2.gz BDXISWJQCPREGU-MRXNPFEDSA-N 0 3 299.370 3.343 20 30 CGEDHN C=CCOCCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000645083148 380575525 /nfs/dbraw/zinc/57/55/25/380575525.db2.gz JOSPXOWWRKLWDL-UHFFFAOYSA-N 0 3 281.346 3.347 20 30 CGEDHN C=CCOc1ccc(CN(C)CC2(O)CCC2)cc1Cl ZINC000355369556 380664750 /nfs/dbraw/zinc/66/47/50/380664750.db2.gz RKWXHLXHFPYWCD-UHFFFAOYSA-N 0 3 295.810 3.252 20 30 CGEDHN C=CC[C@H]1N(Cc2cncn2CC)CCCC1(C)C ZINC000418040832 380696420 /nfs/dbraw/zinc/69/64/20/380696420.db2.gz WKQCBPADHOWQMG-OAHLLOKOSA-N 0 3 261.413 3.470 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC[C@@H](Oc3ccccc3)C2)C1 ZINC000419315987 380801236 /nfs/dbraw/zinc/80/12/36/380801236.db2.gz PJQXOBFQGCZPJT-ZMSDIMECSA-N 0 3 270.376 3.222 20 30 CGEDHN C[C@H]1[C@@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000419375984 380820278 /nfs/dbraw/zinc/82/02/78/380820278.db2.gz SJCDUSHMEQVIKD-JHJVBQTASA-N 0 3 296.374 3.085 20 30 CGEDHN CC[C@H]1CCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279205719 194331930 /nfs/dbraw/zinc/33/19/30/194331930.db2.gz GNIPZHVMFOFVHW-ZFWWWQNUSA-N 0 3 296.374 3.277 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)c1nccs1 ZINC000421343944 380885426 /nfs/dbraw/zinc/88/54/26/380885426.db2.gz OJNDYUJEEXSGCB-SNVBAGLBSA-N 0 3 275.352 3.047 20 30 CGEDHN N#Cc1ccc2ncc(CN[C@@H]3C[C@H]3C3CCCCC3)n2c1 ZINC000360017466 381413028 /nfs/dbraw/zinc/41/30/28/381413028.db2.gz DANXWCZOVZUAQF-DLBZAZTESA-N 0 3 294.402 3.264 20 30 CGEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(F)c1 ZINC000361440942 381747815 /nfs/dbraw/zinc/74/78/15/381747815.db2.gz RPKRFIBRIGMSOP-YPMHNXCESA-N 0 3 262.328 3.006 20 30 CGEDHN C=CCOCCN[C@H]1CCCOc2cc(C)ccc21 ZINC000361742868 381865958 /nfs/dbraw/zinc/86/59/58/381865958.db2.gz HDCFUKWUFXOJAR-HNNXBMFYSA-N 0 3 261.365 3.001 20 30 CGEDHN C=CC[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000361775361 381867175 /nfs/dbraw/zinc/86/71/75/381867175.db2.gz FUSAFYBNVWUNQI-QZTJIDSGSA-N 0 3 298.430 3.041 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000362242579 381917248 /nfs/dbraw/zinc/91/72/48/381917248.db2.gz JXJMFFLPCMAAFA-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN COCCN(Cc1cc(C#N)ccc1F)[C@@H]1CC[C@@H](C)C1 ZINC000362157121 381892212 /nfs/dbraw/zinc/89/22/12/381892212.db2.gz OUZHMJNTMJTOCF-CZUORRHYSA-N 0 3 290.382 3.334 20 30 CGEDHN COCCN(Cc1cc(C#N)ccc1F)[C@H]1CC[C@H](C)C1 ZINC000362157119 381892599 /nfs/dbraw/zinc/89/25/99/381892599.db2.gz OUZHMJNTMJTOCF-BBRMVZONSA-N 0 3 290.382 3.334 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367044516 382331358 /nfs/dbraw/zinc/33/13/58/382331358.db2.gz WJUOTQNTOZNVDR-TZMCWYRMSA-N 0 3 250.773 3.450 20 30 CGEDHN CC(C)OCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367209830 382339348 /nfs/dbraw/zinc/33/93/48/382339348.db2.gz VYONRPLHCLAADH-UHFFFAOYSA-N 0 3 270.376 3.072 20 30 CGEDHN CCN(C[C@@H]1CCCO1)[C@@H](C)c1cccc(C#N)c1 ZINC000275952603 285031187 /nfs/dbraw/zinc/03/11/87/285031187.db2.gz FPPNAASCXVEEAH-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN N#Cc1cc(F)ccc1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000335378539 208316392 /nfs/dbraw/zinc/31/63/92/208316392.db2.gz HAMTVGRCAWEHOR-YOEHRIQHSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000334672825 533116261 /nfs/dbraw/zinc/11/62/61/533116261.db2.gz MPVZGAKITKRFGW-BQBZGAKWSA-N 0 3 289.137 3.469 20 30 CGEDHN C[C@@H](CCOCc1ccccc1)NCc1ccc(C#N)o1 ZINC000288377944 197063420 /nfs/dbraw/zinc/06/34/20/197063420.db2.gz FUQMPEPDHXNJBM-AWEZNQCLSA-N 0 3 284.359 3.236 20 30 CGEDHN COc1ccc(-c2ccc(CNC(=O)C(C)C#N)cc2)cc1 ZINC000346277339 533180271 /nfs/dbraw/zinc/18/02/71/533180271.db2.gz HOYLBXCPVYXWNM-CYBMUJFWSA-N 0 3 294.354 3.138 20 30 CGEDHN COc1cc(CN[C@H]2CC(C)(C)OC2(C)C)ccc1C#N ZINC000281564653 195290008 /nfs/dbraw/zinc/29/00/08/195290008.db2.gz CFQSOLZMTFRETA-HNNXBMFYSA-N 0 3 288.391 3.003 20 30 CGEDHN COc1cc(CNC[C@H](OC)c2ccccc2)ccc1C#N ZINC000281583707 195297968 /nfs/dbraw/zinc/29/79/68/195297968.db2.gz DMHFJZICUYAPQE-SFHVURJKSA-N 0 3 296.370 3.044 20 30 CGEDHN Cc1cc(CN2C[C@@H](O)C[C@H]2c2ccccc2)ccc1C#N ZINC000411926528 533631171 /nfs/dbraw/zinc/63/11/71/533631171.db2.gz PVZBJIPHIWHERG-OALUTQOASA-N 0 3 292.382 3.175 20 30 CGEDHN Cc1cccc(C[C@@H](CO)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000191611670 130262747 /nfs/dbraw/zinc/26/27/47/130262747.db2.gz MCCLLCBNUQLJFJ-KXBFYZLASA-N 0 3 294.398 3.121 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ncc[nH]1 ZINC000414302059 542635665 /nfs/dbraw/zinc/63/56/65/542635665.db2.gz MLCQPCXZIHJRRL-UKRRQHHQSA-N 0 3 255.365 3.248 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(c2cccs2)CC1 ZINC000093692427 392238941 /nfs/dbraw/zinc/23/89/41/392238941.db2.gz GNAFEFDLYRWMTP-UHFFFAOYSA-N 0 3 277.437 3.200 20 30 CGEDHN CCCN(Cc1cccc(C#N)c1)C[C@@H]1CCCCO1 ZINC000071963783 392194724 /nfs/dbraw/zinc/19/47/24/392194724.db2.gz IQLVCYDWPFPXGK-KRWDZBQOSA-N 0 3 272.392 3.339 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000361239246 392261222 /nfs/dbraw/zinc/26/12/22/392261222.db2.gz TWTTYTUMMJUCPT-JKSUJKDBSA-N 0 3 290.382 3.379 20 30 CGEDHN CSc1ccccc1[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000281954669 392263106 /nfs/dbraw/zinc/26/31/06/392263106.db2.gz IYHTWPISJRDESC-GFCCVEGCSA-N 0 3 285.416 3.469 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC000282039387 392275552 /nfs/dbraw/zinc/27/55/52/392275552.db2.gz QTNHQLIPMDLFON-DLBZAZTESA-N 0 3 284.403 3.070 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OC)C[C@@H]2C)c1 ZINC000282234606 392286311 /nfs/dbraw/zinc/28/63/11/392286311.db2.gz ISSVINZBRXKTQX-HOCLYGCPSA-N 0 3 275.392 3.251 20 30 CGEDHN COCCN(Cc1cc(C#N)cs1)C[C@@H]1CC=CCC1 ZINC000361674968 392292994 /nfs/dbraw/zinc/29/29/94/392292994.db2.gz IYCOLMKELGJUID-CQSZACIVSA-N 0 3 290.432 3.424 20 30 CGEDHN CO[C@@]1(C)C[C@H](N(C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361830016 392335421 /nfs/dbraw/zinc/33/54/21/392335421.db2.gz POGNKAVTMATEQR-RDJZCZTQSA-N 0 3 290.382 3.333 20 30 CGEDHN CCOC[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246308590 131093130 /nfs/dbraw/zinc/09/31/30/131093130.db2.gz FYGOQUOYCMPRCM-ZBFHGGJFSA-N 0 3 272.392 3.368 20 30 CGEDHN C=CCC[C@@H](NC[C@@H](O)Cc1ccccc1)c1ccco1 ZINC000286165941 392377549 /nfs/dbraw/zinc/37/75/49/392377549.db2.gz QDNZVUIVICPNLV-DLBZAZTESA-N 0 3 285.387 3.480 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccnc1 ZINC000263775481 131328560 /nfs/dbraw/zinc/32/85/60/131328560.db2.gz NTKCVAOTKWZUOR-UHFFFAOYSA-N 0 3 265.360 3.365 20 30 CGEDHN C=C[C@H](CO)N[C@@H](CC)c1ccc(Br)cc1 ZINC000289578436 392423961 /nfs/dbraw/zinc/42/39/61/392423961.db2.gz BHJHJJMJSXYZNB-OLZOCXBDSA-N 0 3 284.197 3.037 20 30 CGEDHN C=C[C@H](CO)N[C@H](CC)c1ccc(Br)cc1 ZINC000289578434 392425140 /nfs/dbraw/zinc/42/51/40/392425140.db2.gz BHJHJJMJSXYZNB-CHWSQXEVSA-N 0 3 284.197 3.037 20 30 CGEDHN CCCCCCCCCCN1CCCN(C(N)=O)CC1 ZINC000153590664 392522770 /nfs/dbraw/zinc/52/27/70/392522770.db2.gz VZORGIZCUKYNNB-UHFFFAOYSA-N 0 3 283.460 3.214 20 30 CGEDHN Cc1nc(NC[C@H](c2ccsc2)N(C)C)ccc1C#N ZINC000291648744 392476220 /nfs/dbraw/zinc/47/62/20/392476220.db2.gz NKRNUCOKGWADIH-CQSZACIVSA-N 0 3 286.404 3.038 20 30 CGEDHN Cc1nc(NC[C@H](c2ccc(F)cc2)N(C)C)ccc1C#N ZINC000291699173 392479213 /nfs/dbraw/zinc/47/92/13/392479213.db2.gz UEHWZERHPODVKV-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN CC#CCCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000155320928 392541064 /nfs/dbraw/zinc/54/10/64/392541064.db2.gz OEFUOERGFBJMAV-KRWDZBQOSA-N 0 3 275.367 3.220 20 30 CGEDHN CC(C)[C@]1(CO)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000292928972 392515208 /nfs/dbraw/zinc/51/52/08/392515208.db2.gz CIMQZIHGEURBPF-CRAIPNDOSA-N 0 3 286.419 3.350 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000302752463 392619877 /nfs/dbraw/zinc/61/98/77/392619877.db2.gz YLVUSQZIVUYQBJ-AWEZNQCLSA-N 0 3 292.398 3.071 20 30 CGEDHN C=C(C)CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000334635771 392744094 /nfs/dbraw/zinc/74/40/94/392744094.db2.gz FTGKVMYPCWIPLO-MRXNPFEDSA-N 0 3 257.377 3.416 20 30 CGEDHN C=CC[C@H](C)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000183283740 392753658 /nfs/dbraw/zinc/75/36/58/392753658.db2.gz YPWMUHYCMDSPGW-HZMBPMFUSA-N 0 3 255.308 3.207 20 30 CGEDHN Cc1ncsc1CN(C)CC(C)(C)CCC#N ZINC000179430142 392699807 /nfs/dbraw/zinc/69/98/07/392699807.db2.gz OZVQLSPQHIUYDL-UHFFFAOYSA-N 0 3 251.399 3.213 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000185952611 392774942 /nfs/dbraw/zinc/77/49/42/392774942.db2.gz NTOODXMYYXNTDV-HYVNUMGLSA-N 0 3 286.419 3.150 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000335725480 392810780 /nfs/dbraw/zinc/81/07/80/392810780.db2.gz GUTSBVVIWHVYOO-SFYZADRCSA-N 0 3 271.147 3.330 20 30 CGEDHN C=CCN(Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000338338857 392908308 /nfs/dbraw/zinc/90/83/08/392908308.db2.gz BDXLTWZVYYWJQG-UHFFFAOYSA-N 0 3 253.349 3.023 20 30 CGEDHN COc1cccc2c1CCN(Cc1cc(C#N)cs1)CC2 ZINC000194571053 392930698 /nfs/dbraw/zinc/93/06/98/392930698.db2.gz RXNOATKPTBCEAN-UHFFFAOYSA-N 0 3 298.411 3.229 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000527482112 392956746 /nfs/dbraw/zinc/95/67/46/392956746.db2.gz HQRMATSGCIJDFN-XQQFMLRXSA-N 0 3 260.406 3.445 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1cccc(C#N)c1 ZINC000411653159 392984374 /nfs/dbraw/zinc/98/43/74/392984374.db2.gz YHHMIUPNFUTIGS-OAHLLOKOSA-N 0 3 271.408 3.059 20 30 CGEDHN C[C@H](CCC#N)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000411743048 392986870 /nfs/dbraw/zinc/98/68/70/392986870.db2.gz FFMHCCNIWAQUHD-INWMFGNUSA-N 0 3 292.810 3.040 20 30 CGEDHN COc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1Cl ZINC000412024033 392992335 /nfs/dbraw/zinc/99/23/35/392992335.db2.gz BCSNTBGUJTZDCA-AAEUAGOBSA-N 0 3 278.783 3.473 20 30 CGEDHN COCC1(C#N)CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000342835464 393009269 /nfs/dbraw/zinc/00/92/69/393009269.db2.gz GNBXQQUCZZJSQA-SJORKVTESA-N 0 3 284.403 3.042 20 30 CGEDHN Cc1ccc(C[C@H]2CCCN2CC2(C#N)CC2)cc1 ZINC000343314040 393023909 /nfs/dbraw/zinc/02/39/09/393023909.db2.gz MBGOSSNGACLVPO-MRXNPFEDSA-N 0 3 254.377 3.306 20 30 CGEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccccc1Cl ZINC000346179959 393078171 /nfs/dbraw/zinc/07/81/71/393078171.db2.gz GBJNNTPVHLLTNA-MFKMUULPSA-N 0 3 264.756 3.313 20 30 CGEDHN CC(C)(C)[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000353441142 393223322 /nfs/dbraw/zinc/22/33/22/393223322.db2.gz AGHKTRLNFGQGKE-OAHLLOKOSA-N 0 3 282.391 3.216 20 30 CGEDHN C=CCC[C@@H](CO)NCc1c(Cl)ccc2cccnc21 ZINC000648821774 393264696 /nfs/dbraw/zinc/26/46/96/393264696.db2.gz KLMNCYAPGXFSSV-ZDUSSCGKSA-N 0 3 290.794 3.305 20 30 CGEDHN C=CCC[C@@H](NCC[C@@H](O)C(C)C)c1ccco1 ZINC000356098361 393356674 /nfs/dbraw/zinc/35/66/74/393356674.db2.gz VYJUOXGAXRTZIP-ZIAGYGMSSA-N 0 3 251.370 3.284 20 30 CGEDHN CC1(C)C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000417963636 393359939 /nfs/dbraw/zinc/35/99/39/393359939.db2.gz DRQAVBBVDZMEKN-CQSZACIVSA-N 0 3 297.320 3.214 20 30 CGEDHN CCCCN(CC#Cc1ccc(Cl)cc1)CCOC ZINC000427012068 393451820 /nfs/dbraw/zinc/45/18/20/393451820.db2.gz MIXKDJDBUNGKFU-UHFFFAOYSA-N 0 3 279.811 3.440 20 30 CGEDHN C=CC[C@H](C(=O)NCCN(C)CCCC)c1ccccc1 ZINC000426835146 393452810 /nfs/dbraw/zinc/45/28/10/393452810.db2.gz QDACDJWSZVGAQJ-KRWDZBQOSA-N 0 3 288.435 3.194 20 30 CGEDHN CCCC[C@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000356510630 393467291 /nfs/dbraw/zinc/46/72/91/393467291.db2.gz WRVIWKQHZFGREI-ZDUSSCGKSA-N 0 3 270.380 3.216 20 30 CGEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000357363697 393509364 /nfs/dbraw/zinc/50/93/64/393509364.db2.gz JBWQXOPQVLVUEM-OALUTQOASA-N 0 3 292.382 3.426 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(c2ccc(OC)cn2)CC1 ZINC000649651450 393526421 /nfs/dbraw/zinc/52/64/21/393526421.db2.gz LXNUVRSTHFENBP-CQSZACIVSA-N 0 3 272.392 3.072 20 30 CGEDHN CCN(Cc1cccc(OCCCC#N)c1)C[C@@H](C)OC ZINC000361010666 393640174 /nfs/dbraw/zinc/64/01/74/393640174.db2.gz QKTPVHOJTWBGNU-OAHLLOKOSA-N 0 3 290.407 3.226 20 30 CGEDHN CCCCCCCN1CCCN(C(=O)c2ccoc2)CC1 ZINC000361171369 393691590 /nfs/dbraw/zinc/69/15/90/393691590.db2.gz UFUVSLYGTMFCOZ-UHFFFAOYSA-N 0 3 292.423 3.398 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(NCc3ccc(C#N)o3)cccc21 ZINC000433187255 393695734 /nfs/dbraw/zinc/69/57/34/393695734.db2.gz IUWWWRBGCLHLEU-MRXNPFEDSA-N 0 3 297.358 3.149 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000361237958 393709928 /nfs/dbraw/zinc/70/99/28/393709928.db2.gz RJYZOSYERYKTTH-ZDUSSCGKSA-N 0 3 298.308 3.188 20 30 CGEDHN Cc1noc(C)c1C[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443989286 393780594 /nfs/dbraw/zinc/78/05/94/393780594.db2.gz OSIHIIMYDJKJFX-LBPRGKRZSA-N 0 3 283.375 3.192 20 30 CGEDHN CCCCOCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502495284 393877725 /nfs/dbraw/zinc/87/77/25/393877725.db2.gz MHJWGDDELFQQAS-UHFFFAOYSA-N 0 3 284.403 3.464 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cccc(C(C)C)c2)CC1 ZINC000668369302 543007646 /nfs/dbraw/zinc/00/76/46/543007646.db2.gz UGYRIGSOHDIGBB-UHFFFAOYSA-N 0 3 286.419 3.190 20 30 CGEDHN C=CCCN1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000338566452 397683835 /nfs/dbraw/zinc/68/38/35/397683835.db2.gz ISIXOMSFCUAWFA-QGZVFWFLSA-N 0 3 258.409 3.159 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@](C)(O)CC ZINC000352920985 397686560 /nfs/dbraw/zinc/68/65/60/397686560.db2.gz CNJBMABZKSNKEL-MRXNPFEDSA-N 0 3 279.428 3.003 20 30 CGEDHN C=C(C)CN(CCC)C[C@H]1COc2ccccc2O1 ZINC000675592722 543347997 /nfs/dbraw/zinc/34/79/97/543347997.db2.gz PDGKNMOIWYMTMP-AWEZNQCLSA-N 0 3 261.365 3.115 20 30 CGEDHN COCC#CCN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000677478932 543450251 /nfs/dbraw/zinc/45/02/51/543450251.db2.gz GIALDEWVOVZDIY-HNNXBMFYSA-N 0 3 263.356 3.152 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000678739953 543552221 /nfs/dbraw/zinc/55/22/21/543552221.db2.gz ADPHAQGCQGGKCB-CZUORRHYSA-N 0 3 263.381 3.061 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000678743676 543551951 /nfs/dbraw/zinc/55/19/51/543551951.db2.gz GWLCAEFVJPFJOE-ZFWWWQNUSA-N 0 3 293.407 3.070 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccnc1 ZINC000020127565 171012874 /nfs/dbraw/zinc/01/28/74/171012874.db2.gz KVQVSAQWTPBMDM-QWHCGFSZSA-N 0 3 251.333 3.365 20 30 CGEDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 ZINC000020146039 171032016 /nfs/dbraw/zinc/03/20/16/171032016.db2.gz HBJQENZZBMMWHZ-CQSZACIVSA-N 0 3 279.387 3.475 20 30 CGEDHN C[C@H](Cc1cccs1)NCc1ccc(C#N)cc1F ZINC000071270125 176103989 /nfs/dbraw/zinc/10/39/89/176103989.db2.gz RLKXZPRCQCCMMY-LLVKDONJSA-N 0 3 274.364 3.480 20 30 CGEDHN C=CCOCCNCc1c(C)cc(Cl)cc1C ZINC000679485449 543640592 /nfs/dbraw/zinc/64/05/92/543640592.db2.gz GNUJLTKFTDHGLG-UHFFFAOYSA-N 0 3 253.773 3.249 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(SC)c(OC)c1 ZINC000679576685 543647863 /nfs/dbraw/zinc/64/78/63/543647863.db2.gz RIJBERRRIKUDEA-GFCCVEGCSA-N 0 3 281.421 3.270 20 30 CGEDHN C=CCOCCN[C@H]1CCc2ccc(Cl)cc21 ZINC000679576696 543648064 /nfs/dbraw/zinc/64/80/64/543648064.db2.gz RMFGKRHKCMLOJM-AWEZNQCLSA-N 0 3 251.757 3.120 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1oc2ccccc2c1C ZINC000680412653 543709410 /nfs/dbraw/zinc/70/94/10/543709410.db2.gz YGLKNWHOVXFFEW-OCCSQVGLSA-N 0 3 259.349 3.329 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccccc2Cl)s1 ZINC000130645274 287359943 /nfs/dbraw/zinc/35/99/43/287359943.db2.gz GBYMLLJTCHANMI-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccccc1CN(C)C ZINC000680995415 543754050 /nfs/dbraw/zinc/75/40/50/543754050.db2.gz PQVJZQOOTTVRQC-ZDUSSCGKSA-N 0 3 260.381 3.289 20 30 CGEDHN C=C(C)CNCc1cnn(Cc2ccccc2Cl)c1 ZINC000682168845 543833669 /nfs/dbraw/zinc/83/36/69/543833669.db2.gz QYGPAAXKQXXLQO-UHFFFAOYSA-N 0 3 275.783 3.251 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000347586653 226209430 /nfs/dbraw/zinc/20/94/30/226209430.db2.gz VENGWJAHISCBTM-SJORKVTESA-N 0 3 285.435 3.275 20 30 CGEDHN C=CCN1CC[C@@H](N2CCc3ccccc3[C@@H]2C(C)C)C1=O ZINC000685002232 544050242 /nfs/dbraw/zinc/05/02/42/544050242.db2.gz CHSSOKWVSVPMDV-MSOLQXFVSA-N 0 3 298.430 3.029 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000336573551 227126373 /nfs/dbraw/zinc/12/63/73/227126373.db2.gz OGACKRMHNNVNKF-NSHDSACASA-N 0 3 276.767 3.385 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000654315590 418960304 /nfs/dbraw/zinc/96/03/04/418960304.db2.gz SXIIDOGELSRDAV-JKSUJKDBSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CCCn1cc(CN2CCCC[C@H]2[C@H](C)CC)nn1 ZINC000653558653 419047560 /nfs/dbraw/zinc/04/75/60/419047560.db2.gz NFTXHGKIGCQYHU-ZBFHGGJFSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)nn1 ZINC000653559672 419047736 /nfs/dbraw/zinc/04/77/36/419047736.db2.gz NQJXSTDIYDBBAE-IJEWVQPXSA-N 0 3 274.412 3.007 20 30 CGEDHN C=C(CC)CNCc1cn(-c2ccccc2F)nc1C ZINC000655792618 419099270 /nfs/dbraw/zinc/09/92/70/419099270.db2.gz MYFUEXBQUSRNPS-UHFFFAOYSA-N 0 3 273.355 3.376 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCCC[C@H]2C(C)C)nn1 ZINC000653615333 419061062 /nfs/dbraw/zinc/06/10/62/419061062.db2.gz CPRPECQXZGQCBY-HOTGVXAUSA-N 0 3 276.428 3.159 20 30 CGEDHN C=C(C)CN(CCC1CCC1)Cc1ccc(CO)o1 ZINC000660536285 419158300 /nfs/dbraw/zinc/15/83/00/419158300.db2.gz GAIPYRNXDWZPQX-UHFFFAOYSA-N 0 3 263.381 3.340 20 30 CGEDHN C=CCN(Cc1ccc(SC)c(OC)c1)[C@H](C)COC ZINC000661243110 419244021 /nfs/dbraw/zinc/24/40/21/419244021.db2.gz JEOQFUAPHOQQMS-CYBMUJFWSA-N 0 3 295.448 3.440 20 30 CGEDHN C=CCN(Cc1cccc2cccnc21)[C@@H](C)COC ZINC000661241298 419244155 /nfs/dbraw/zinc/24/41/55/419244155.db2.gz VHZLCGQFALDUOX-AWEZNQCLSA-N 0 3 270.376 3.258 20 30 CGEDHN C=CCN(Cc1cccc(OC(F)F)c1)[C@@H](C)COC ZINC000661242175 419244461 /nfs/dbraw/zinc/24/44/61/419244461.db2.gz HXHLVQWBAOCJDB-LBPRGKRZSA-N 0 3 285.334 3.311 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000661378838 419255754 /nfs/dbraw/zinc/25/57/54/419255754.db2.gz MZRBJCZLFZNOGJ-KGLIPLIRSA-N 0 3 298.390 3.481 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000661379411 419256187 /nfs/dbraw/zinc/25/61/87/419256187.db2.gz YASOYFNUZDHLRQ-LSDHHAIUSA-N 0 3 272.392 3.302 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)[C@@H]2CC2(F)F)cc1 ZINC000666445632 419217737 /nfs/dbraw/zinc/21/77/37/419217737.db2.gz VWPZLBUOPGUJBT-RISCZKNCSA-N 0 3 267.319 3.385 20 30 CGEDHN C=CC[C@H](CO)CNCc1cc2cccc(CC)c2o1 ZINC000657426990 419276253 /nfs/dbraw/zinc/27/62/53/419276253.db2.gz OAIKWWGJQLKTKX-ZDUSSCGKSA-N 0 3 273.376 3.269 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661657619 419282876 /nfs/dbraw/zinc/28/28/76/419282876.db2.gz BZTLTDKQGKUZEE-HOCLYGCPSA-N 0 3 293.382 3.298 20 30 CGEDHN C=CCC1(NCc2ccc(Cl)o2)CCOCC1 ZINC000657633000 419317254 /nfs/dbraw/zinc/31/72/54/419317254.db2.gz QEUUMUBXLGSCRH-UHFFFAOYSA-N 0 3 255.745 3.148 20 30 CGEDHN C=CCC1(NCc2c(Br)cnn2C)CCCC1 ZINC000657702944 419330400 /nfs/dbraw/zinc/33/04/00/419330400.db2.gz RBFHNYUEIVGPGQ-UHFFFAOYSA-N 0 3 298.228 3.161 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1ccccc1C ZINC000662078095 419332715 /nfs/dbraw/zinc/33/27/15/419332715.db2.gz AJRCRXUIADNKIV-NXHRZFHOSA-N 0 3 298.430 3.183 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000662081549 419333320 /nfs/dbraw/zinc/33/33/20/419333320.db2.gz USWJNHLUVWGVRB-VQHPVUNQSA-N 0 3 290.451 3.349 20 30 CGEDHN C=CCOc1cccc(CN[C@H](c2ccccc2)[C@@H](C)O)c1 ZINC000657813999 419366037 /nfs/dbraw/zinc/36/60/37/419366037.db2.gz CBUZAWZZDRBJPJ-BEFAXECRSA-N 0 3 297.398 3.463 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657931254 419449996 /nfs/dbraw/zinc/44/99/96/419449996.db2.gz HCUUTZOUYWOHRU-NSHDSACASA-N 0 3 270.323 3.263 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000662600265 419461415 /nfs/dbraw/zinc/46/14/15/419461415.db2.gz FUTBRBYADQKFBW-FHLIZLRMSA-N 0 3 298.430 3.125 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C(F)F)nc1 ZINC000658030179 419504320 /nfs/dbraw/zinc/50/43/20/419504320.db2.gz PFJSRYMRQIVHBI-XWIASGKRSA-N 0 3 268.307 3.013 20 30 CGEDHN C[C@H]1CCc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000191509762 287594185 /nfs/dbraw/zinc/59/41/85/287594185.db2.gz FFNGKFFTFBXTGF-SCLBCKFNSA-N 0 3 279.387 3.310 20 30 CGEDHN C=CCCCCCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179577041 260055564 /nfs/dbraw/zinc/05/55/64/260055564.db2.gz FGJIVVFEHAVXRB-CABCVRRESA-N 0 3 287.469 3.020 20 30 CGEDHN CC(C)C[C@@H]1COCCN1CCCC(C)(C)C#N ZINC000174862779 261200399 /nfs/dbraw/zinc/20/03/99/261200399.db2.gz ZUCUVVAPFCAVOD-CQSZACIVSA-N 0 3 252.402 3.063 20 30 CGEDHN C[C@@H](C#N)CN[C@H]1CCc2cc(Br)ccc2C1 ZINC000106367204 261837226 /nfs/dbraw/zinc/83/72/26/261837226.db2.gz ZNLDWOYAJXCLHT-HZMBPMFUSA-N 0 3 293.208 3.056 20 30 CGEDHN CCOCc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185774819 262069610 /nfs/dbraw/zinc/06/96/10/262069610.db2.gz LQIHAIRSSKXIOZ-DLBZAZTESA-N 0 3 272.392 3.395 20 30 CGEDHN C=CCOCCNCc1cc(-c2ccncc2)ccc1OC ZINC000364317599 262200480 /nfs/dbraw/zinc/20/04/80/262200480.db2.gz XEPSWJAFTRMZEF-UHFFFAOYSA-N 0 3 298.386 3.049 20 30 CGEDHN CC(C)C(=O)Nc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000192627425 262206547 /nfs/dbraw/zinc/20/65/47/262206547.db2.gz ZFOYMGRLLHACBO-RDJZCZTQSA-N 0 3 299.418 3.453 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2Cn2cccn2)C1 ZINC000192625793 262206641 /nfs/dbraw/zinc/20/66/41/262206641.db2.gz KUXNUMUCJJNKSH-MAUKXSAKSA-N 0 3 294.402 3.103 20 30 CGEDHN N#Cc1csc(CNC[C@H]2CCCC2(F)F)c1 ZINC000390682162 262240395 /nfs/dbraw/zinc/24/03/95/262240395.db2.gz WETBAFRWTUQBDT-SNVBAGLBSA-N 0 3 256.321 3.145 20 30 CGEDHN C=CCOc1ccccc1CNCCc1scnc1C ZINC000391134747 262383785 /nfs/dbraw/zinc/38/37/85/262383785.db2.gz ZEBVVHAFALYZCU-UHFFFAOYSA-N 0 3 288.416 3.349 20 30 CGEDHN C=CCC[C@H](CO)NCc1cccc(OC(F)(F)F)c1 ZINC000320290153 262560556 /nfs/dbraw/zinc/56/05/56/262560556.db2.gz PTQWTZFVJQGQEH-GFCCVEGCSA-N 0 3 289.297 3.002 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000248869602 262693995 /nfs/dbraw/zinc/69/39/95/262693995.db2.gz QLJAPRSOIYEMFO-KCPJHIHWSA-N 0 3 278.783 3.045 20 30 CGEDHN Cc1cccc2c1CN(Cc1ccc(OCC#N)cc1)CC2 ZINC000277184617 263040077 /nfs/dbraw/zinc/04/00/77/263040077.db2.gz LMGQHQXPHUBFHB-UHFFFAOYSA-N 0 3 292.382 3.456 20 30 CGEDHN CCCCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279498169 263055789 /nfs/dbraw/zinc/05/57/89/263055789.db2.gz QCXVXAOBACHEMU-WMLDXEAASA-N 0 3 297.402 3.326 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000281948843 263073280 /nfs/dbraw/zinc/07/32/80/263073280.db2.gz LXNPYLXJDVOGIL-GDZNZVCISA-N 0 3 297.402 3.378 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000282260638 263075405 /nfs/dbraw/zinc/07/54/05/263075405.db2.gz JYOGNNHNXKQTDK-DUUOMRMWSA-N 0 3 292.329 3.077 20 30 CGEDHN Cc1cc(Cl)nc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000282759313 263078468 /nfs/dbraw/zinc/07/84/68/263078468.db2.gz OFZKMEFWOWXYQZ-NEPJUHHUSA-N 0 3 263.772 3.215 20 30 CGEDHN N#Cc1cccc(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000292986806 263136882 /nfs/dbraw/zinc/13/68/82/263136882.db2.gz FTDUEPBLVWGFIM-JKSUJKDBSA-N 0 3 295.386 3.094 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC=C(c3ccccc3)C2)C1 ZINC000294208913 263158030 /nfs/dbraw/zinc/15/80/30/263158030.db2.gz RSSQWNZITTVDQV-YOEHRIQHSA-N 0 3 252.361 3.468 20 30 CGEDHN CC[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631411 263164831 /nfs/dbraw/zinc/16/48/31/263164831.db2.gz PIJCTWJTMAOHIC-OTWHNJEPSA-N 0 3 297.446 3.275 20 30 CGEDHN COc1c(C)cnc(CN(C)CCCC(C)(C)C#N)c1C ZINC000295093384 263172349 /nfs/dbraw/zinc/17/23/49/263172349.db2.gz FNIPQLHJWSSGGF-UHFFFAOYSA-N 0 3 289.423 3.469 20 30 CGEDHN Cc1ccc(C)n1C1CCN([C@@H](C)CCC#N)CC1 ZINC000298118935 263215281 /nfs/dbraw/zinc/21/52/81/263215281.db2.gz MRQFKKBAVVAOLJ-ZDUSSCGKSA-N 0 3 259.397 3.434 20 30 CGEDHN COc1ccc(OC)c([C@H](C)N[C@H](C)CCC#N)c1 ZINC000299732897 263253828 /nfs/dbraw/zinc/25/38/28/263253828.db2.gz YBHMKRYUYDLUQG-NEPJUHHUSA-N 0 3 262.353 3.047 20 30 CGEDHN C=CCC(C)(C)c1noc(C2CCN(C3CC3)CC2)n1 ZINC000340768849 263304731 /nfs/dbraw/zinc/30/47/31/263304731.db2.gz FVWJIPYATXWKDN-UHFFFAOYSA-N 0 3 275.396 3.265 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(Cl)cc1Cl ZINC000341278866 263330104 /nfs/dbraw/zinc/33/01/04/263330104.db2.gz GKDSYSXFRFBREM-SNVBAGLBSA-N 0 3 274.191 3.268 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341865290 263357018 /nfs/dbraw/zinc/35/70/18/263357018.db2.gz FWEXOCYGHXQIHF-CQSZACIVSA-N 0 3 293.370 3.008 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1ccco1 ZINC000417362610 263817311 /nfs/dbraw/zinc/81/73/11/263817311.db2.gz AIBOSVLRSHIKEG-CHWSQXEVSA-N 0 3 284.350 3.216 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(C3CC3)cc2F)C1 ZINC000425961467 264227481 /nfs/dbraw/zinc/22/74/81/264227481.db2.gz SWUKRPWPIHIRAV-NHYWBVRUSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCN1CCC([NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000185210770 265004036 /nfs/dbraw/zinc/00/40/36/265004036.db2.gz AOYCHXPBZJNFKR-INIZCTEOSA-N 0 3 274.408 3.083 20 30 CGEDHN COc1cccc2c1CCN(Cc1ccc(C#N)cc1)CC2 ZINC000193706841 270079722 /nfs/dbraw/zinc/07/97/22/270079722.db2.gz UJCIJTZYOZCJOD-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000356893580 266206428 /nfs/dbraw/zinc/20/64/28/266206428.db2.gz JZDFJEIMWZFLFU-IUCAKERBSA-N 0 3 270.254 3.042 20 30 CGEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000356996716 266228932 /nfs/dbraw/zinc/22/89/32/266228932.db2.gz HQSHNTFEVJXTPR-LSDHHAIUSA-N 0 3 285.435 3.012 20 30 CGEDHN Cc1nsc(NC[C@@H]2CCN2C2CCCCC2)c1C#N ZINC000528120041 270154967 /nfs/dbraw/zinc/15/49/67/270154967.db2.gz YUQNXPULGCHNLU-ZDUSSCGKSA-N 0 3 290.436 3.142 20 30 CGEDHN C=C(CN[C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000367613229 267104313 /nfs/dbraw/zinc/10/43/13/267104313.db2.gz BXRVQZCVGNMLQE-OAHLLOKOSA-N 0 3 253.349 3.090 20 30 CGEDHN C=CCCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000370375413 267313242 /nfs/dbraw/zinc/31/32/42/267313242.db2.gz UQRNRBUSXXDFKQ-MRXNPFEDSA-N 0 3 293.455 3.003 20 30 CGEDHN COC1(CNCc2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000352841613 274014385 /nfs/dbraw/zinc/01/43/85/274014385.db2.gz UQQGQBYRHALCQE-UHFFFAOYSA-N 0 3 298.308 3.236 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000249113478 276255607 /nfs/dbraw/zinc/25/56/07/276255607.db2.gz RPWUFQWSHARCGG-RHSMWYFYSA-N 0 3 272.392 3.338 20 30 CGEDHN C=C(C)[C@@H](N[C@H]1CCO[C@@H]1C)c1ccc(F)c(F)c1 ZINC000186452671 276868037 /nfs/dbraw/zinc/86/80/37/276868037.db2.gz NVTHUKAGYBNCPI-WKPIXPDZSA-N 0 3 267.319 3.349 20 30 CGEDHN C[C@@H](NC[C@H]1NCCc2ccccc21)c1cccc(C#N)c1 ZINC000423415058 278355921 /nfs/dbraw/zinc/35/59/21/278355921.db2.gz DHAVVTHNKJUHPR-AUUYWEPGSA-N 0 3 291.398 3.096 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000336615512 278383149 /nfs/dbraw/zinc/38/31/49/278383149.db2.gz YLWCWKLHKCZZAR-PXAZEXFGSA-N 0 3 280.375 3.020 20 30 CGEDHN CCO[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)C12CCC2 ZINC000272198693 279812001 /nfs/dbraw/zinc/81/20/01/279812001.db2.gz ISDBXWRSADLFCX-IAGOWNOFSA-N 0 3 296.414 3.485 20 30 CGEDHN C[C@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCCOC1 ZINC000356438121 280167871 /nfs/dbraw/zinc/16/78/71/280167871.db2.gz MFDYUMNULYEOFW-AWEZNQCLSA-N 0 3 298.308 3.236 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)CN1C ZINC000351942540 288218825 /nfs/dbraw/zinc/21/88/25/288218825.db2.gz BHRKYGFAZZPYFS-CABCVRRESA-N 0 3 285.435 3.012 20 30 CGEDHN C[C@H](NCCOC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540724522 288668707 /nfs/dbraw/zinc/66/87/07/288668707.db2.gz RQFXUBJUQFMTNE-NSHDSACASA-N 0 3 264.344 3.163 20 30 CGEDHN COCC1(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000555418124 289343733 /nfs/dbraw/zinc/34/37/33/289343733.db2.gz KXEJIMGCIMBATN-INIZCTEOSA-N 0 3 270.376 3.094 20 30 CGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)NC1CCCCC1 ZINC000329569304 290032253 /nfs/dbraw/zinc/03/22/53/290032253.db2.gz LWPGORQDFBTWDW-MHEUCROKSA-N 0 3 294.439 3.067 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000349341553 294823086 /nfs/dbraw/zinc/82/30/86/294823086.db2.gz KNCFAWJJWZUYFJ-UMVBOHGHSA-N 0 3 256.349 3.182 20 30 CGEDHN N#CC1(CCN2CCS[C@@H]3COCC[C@@H]32)CCCCC1 ZINC000334562573 303141502 /nfs/dbraw/zinc/14/15/02/303141502.db2.gz MZQCRBKNIPQMHP-LSDHHAIUSA-N 0 3 294.464 3.057 20 30 CGEDHN N#Cc1ccccc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000152923428 303205839 /nfs/dbraw/zinc/20/58/39/303205839.db2.gz JKRCVBJMRPJQTL-SFHVURJKSA-N 0 3 284.403 3.482 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000185852210 327848061 /nfs/dbraw/zinc/84/80/61/327848061.db2.gz LRLLXKLKZKWDKL-SVGFKBNWSA-N 0 3 270.376 3.189 20 30 CGEDHN CC[C@@H](CC#N)NC[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000185900610 327850505 /nfs/dbraw/zinc/85/05/05/327850505.db2.gz BRCIKDYXZISJMJ-OCCSQVGLSA-N 0 3 278.371 3.295 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3c(n2)CCCC3)C1 ZINC000278511871 328225936 /nfs/dbraw/zinc/22/59/36/328225936.db2.gz ROCPLLLCMKGVAQ-HIFRSBDPSA-N 0 3 269.392 3.132 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000178067755 329192147 /nfs/dbraw/zinc/19/21/47/329192147.db2.gz UXOIJECRUFONTM-CQSZACIVSA-N 0 3 287.325 3.464 20 30 CGEDHN C=CCCCCCCNCc1cnc([C@H](C)O)s1 ZINC000289849294 328256284 /nfs/dbraw/zinc/25/62/84/328256284.db2.gz PWUUJYAHURMVQG-LBPRGKRZSA-N 0 3 268.426 3.423 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000293158147 328274569 /nfs/dbraw/zinc/27/45/69/328274569.db2.gz RIVLKMJXWOGDFN-ZWKOTPCHSA-N 0 3 297.446 3.275 20 30 CGEDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000295849981 328287536 /nfs/dbraw/zinc/28/75/36/328287536.db2.gz AYQBXHVYMDWSQR-IHRRRGAJSA-N 0 3 258.365 3.434 20 30 CGEDHN CC#CCCNCc1cccc(Br)c1F ZINC000394907527 328313535 /nfs/dbraw/zinc/31/35/35/328313535.db2.gz BOZIVYQOTTUSAO-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN CC1(CN2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000564129905 322021369 /nfs/dbraw/zinc/02/13/69/322021369.db2.gz QMSPPOWRMSKHRK-UHFFFAOYSA-N 0 3 288.366 3.341 20 30 CGEDHN CC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570283046 322269950 /nfs/dbraw/zinc/26/99/50/322269950.db2.gz KENGQCJIIKMUTC-OCCSQVGLSA-N 0 3 273.336 3.135 20 30 CGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000571332170 322295895 /nfs/dbraw/zinc/29/58/95/322295895.db2.gz VUUNFYHIBYQJQZ-CQSZACIVSA-N 0 3 287.363 3.477 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2cccc(F)c2)nc1 ZINC000571951777 322313508 /nfs/dbraw/zinc/31/35/08/322313508.db2.gz IUXGNAPSZUYWDE-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN N#CCC[C@@H](C#N)CNCC1CC(c2ccccc2)C1 ZINC000559156459 327144036 /nfs/dbraw/zinc/14/40/36/327144036.db2.gz DLMJYKKVTJKGKU-UQPPLGOBSA-N 0 3 267.376 3.213 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000569452812 327179426 /nfs/dbraw/zinc/17/94/26/327179426.db2.gz NNNZXAXUEOMIEU-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN CC#CCN(C)[C@@H](C)c1ccc(Br)cc1 ZINC000559458943 327246367 /nfs/dbraw/zinc/24/63/67/327246367.db2.gz QFYLVLYZJVUPRF-NSHDSACASA-N 0 3 266.182 3.465 20 30 CGEDHN C=C(CC)CNCc1cnc(-c2ccccc2)nc1 ZINC000560156291 327287316 /nfs/dbraw/zinc/28/73/16/327287316.db2.gz JQGYWSCKBSABDP-UHFFFAOYSA-N 0 3 253.349 3.199 20 30 CGEDHN C=CCCCCN[C@H](c1nnc2ccccn21)C(C)C ZINC000560239467 327292301 /nfs/dbraw/zinc/29/23/01/327292301.db2.gz OWNOZDXBTJJXAS-HNNXBMFYSA-N 0 3 272.396 3.372 20 30 CGEDHN CCC[C@@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000560828242 327346293 /nfs/dbraw/zinc/34/62/93/327346293.db2.gz BQCFZGZZAAIGIK-KRWDZBQOSA-N 0 3 299.418 3.095 20 30 CGEDHN C=CC[C@H](CC)NCc1ccc(Br)o1 ZINC000281517886 327605008 /nfs/dbraw/zinc/60/50/08/327605008.db2.gz XRQQIULHLRLUQS-VIFPVBQESA-N 0 3 258.159 3.486 20 30 CGEDHN CC#CCCNCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000360959655 328912771 /nfs/dbraw/zinc/91/27/71/328912771.db2.gz VFCGERAGXHDSAD-UHFFFAOYSA-N 0 3 287.794 3.337 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2ccccc2F)CC1 ZINC000177904290 329190399 /nfs/dbraw/zinc/19/03/99/329190399.db2.gz KXLQTDDCLWOSTL-CYBMUJFWSA-N 0 3 262.372 3.127 20 30 CGEDHN C=CC[C@H](CO)NCc1cc2cc(C)c(C)cc2o1 ZINC000184262620 329258435 /nfs/dbraw/zinc/25/84/35/329258435.db2.gz CCGPRDNSYYEABZ-CQSZACIVSA-N 0 3 259.349 3.076 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccccc1OC(F)F ZINC000321095359 329258778 /nfs/dbraw/zinc/25/87/78/329258778.db2.gz LCRMQMKCRKAFAZ-NEPJUHHUSA-N 0 3 285.334 3.266 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)[C@@H](C)OC)cc1Cl ZINC000189126022 329378164 /nfs/dbraw/zinc/37/81/64/329378164.db2.gz FLMYDEQRTYSWNC-NWDGAFQWSA-N 0 3 283.799 3.418 20 30 CGEDHN C=C(C)CCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000509277576 332863455 /nfs/dbraw/zinc/86/34/55/332863455.db2.gz VGXVIDFNZFBHGR-TWGQIWQCSA-N 0 3 270.420 3.284 20 30 CGEDHN CC[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000128213945 329606052 /nfs/dbraw/zinc/60/60/52/329606052.db2.gz JMVCCXISAWCSEF-JDEYZFBPSA-N 0 3 284.403 3.158 20 30 CGEDHN C=CCOCCN[C@H](CC(F)F)c1ccccc1 ZINC000420992074 329796182 /nfs/dbraw/zinc/79/61/82/329796182.db2.gz JWPZSJSBJUSXGK-CYBMUJFWSA-N 0 3 255.308 3.175 20 30 CGEDHN C=CCN1CCC(Nc2cc(Cl)nc(C3CC3)n2)CC1 ZINC000271149888 330078068 /nfs/dbraw/zinc/07/80/68/330078068.db2.gz GYPDVGDDXFEADI-UHFFFAOYSA-N 0 3 292.814 3.070 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Cl)cc1OC ZINC000421852853 330088360 /nfs/dbraw/zinc/08/83/60/330088360.db2.gz IBBWVKRSUOGETC-HONMWMINSA-N 0 3 281.783 3.343 20 30 CGEDHN COc1ccc([C@@H](NCCCC#N)C(C)C)c(F)c1 ZINC000421836511 330091859 /nfs/dbraw/zinc/09/18/59/330091859.db2.gz HCDFDAZMFNAWTB-HNNXBMFYSA-N 0 3 264.344 3.425 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccccc1CCN(C)C ZINC000275571829 330110597 /nfs/dbraw/zinc/11/05/97/330110597.db2.gz FRKKCAXKVDMMGW-AWEZNQCLSA-N 0 3 274.408 3.332 20 30 CGEDHN C=CC[C@H](C)NCc1ncc(Br)cc1F ZINC000527660103 330273597 /nfs/dbraw/zinc/27/35/97/330273597.db2.gz DFUPJRIVOCKRFZ-QMMMGPOBSA-N 0 3 273.149 3.037 20 30 CGEDHN C[C@H]1CC(F)(F)CCN1CCCC1(C#N)CCOCC1 ZINC000528774216 330282820 /nfs/dbraw/zinc/28/28/20/330282820.db2.gz UFCGNJKYOUMAGG-ZDUSSCGKSA-N 0 3 286.366 3.207 20 30 CGEDHN COc1ccc([C@H](N[C@H]2CCC[C@H](C#N)C2)C2CC2)cn1 ZINC000528042132 330305934 /nfs/dbraw/zinc/30/59/34/330305934.db2.gz DETPMCPQFYCAJC-YLQAJVPDSA-N 0 3 285.391 3.213 20 30 CGEDHN COc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1OC(F)F ZINC000424198433 330326068 /nfs/dbraw/zinc/32/60/68/330326068.db2.gz PFZIJWHVGZNDIZ-CMPLNLGQSA-N 0 3 296.317 3.078 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2c2ccc(C)cc2)nn1 ZINC000424290062 330334458 /nfs/dbraw/zinc/33/44/58/330334458.db2.gz AYEQADBVMXDNGP-QZTJIDSGSA-N 0 3 296.418 3.198 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cccc(F)c1F ZINC000424292698 330335127 /nfs/dbraw/zinc/33/51/27/330335127.db2.gz HEDNPMHLJGLAMX-SUNKGSAMSA-N 0 3 267.319 3.207 20 30 CGEDHN C=CCn1cc(CN[C@H]2CC[C@@](C)(c3ccccc3)C2)nn1 ZINC000424297357 330336327 /nfs/dbraw/zinc/33/63/27/330336327.db2.gz QOBJMRJKSOIBFA-FUHWJXTLSA-N 0 3 296.418 3.064 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CC[C@](C)(c3ccccc3)C2)nn1 ZINC000424297356 330336342 /nfs/dbraw/zinc/33/63/42/330336342.db2.gz QOBJMRJKSOIBFA-AEFFLSMTSA-N 0 3 296.418 3.064 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000424318133 330339759 /nfs/dbraw/zinc/33/97/59/330339759.db2.gz CNOSISQGJXWILD-SDDRHHMPSA-N 0 3 262.328 3.177 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccnn1-c1ccccc1 ZINC000424325981 330341351 /nfs/dbraw/zinc/34/13/51/330341351.db2.gz LMDBRFZJTXOBFX-SOUVJXGZSA-N 0 3 280.375 3.215 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)o1)C(C)C ZINC000046049485 330351030 /nfs/dbraw/zinc/35/10/30/330351030.db2.gz RDBJFLIVSDDDER-OAHLLOKOSA-N 0 3 290.407 3.016 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120421020 330388624 /nfs/dbraw/zinc/38/86/24/330388624.db2.gz ZHVFXBQKYCKMTK-HOCLYGCPSA-N 0 3 295.810 3.120 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000090450991 330392566 /nfs/dbraw/zinc/39/25/66/330392566.db2.gz HKCCWAYTOIECGQ-AWEZNQCLSA-N 0 3 270.376 3.478 20 30 CGEDHN C=CC1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000093359140 330419607 /nfs/dbraw/zinc/41/96/07/330419607.db2.gz XVPNIMGIBJHARH-UHFFFAOYSA-N 0 3 261.365 3.102 20 30 CGEDHN C=C(C)COCCNCc1ccc(C(F)(F)F)s1 ZINC000428859024 330532907 /nfs/dbraw/zinc/53/29/07/330532907.db2.gz BEEYXCIFPZVZGM-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN OCCC1(NCC#Cc2ccccc2Cl)CCCCC1 ZINC000441259631 330764269 /nfs/dbraw/zinc/76/42/69/330764269.db2.gz DYNWRXUUARJWGT-UHFFFAOYSA-N 0 3 291.822 3.366 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc(Cl)cc2)C1 ZINC000442785128 330783102 /nfs/dbraw/zinc/78/31/02/330783102.db2.gz WUYODFFRWFCJLH-DGCLKSJQSA-N 0 3 264.756 3.001 20 30 CGEDHN CC(C)CC(=O)Nc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442787691 330783384 /nfs/dbraw/zinc/78/33/84/330783384.db2.gz ICYQIZJEBNHRBJ-GDBMZVCRSA-N 0 3 299.418 3.453 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H](CCO)c1ccco1 ZINC000449249191 330909728 /nfs/dbraw/zinc/90/97/28/330909728.db2.gz LEIUDIOQYQFCHN-KBPBESRZSA-N 0 3 251.370 3.428 20 30 CGEDHN C=CCOc1ccc(CNC2CC(C)(F)C2)cc1OC ZINC000449370799 330919571 /nfs/dbraw/zinc/91/95/71/330919571.db2.gz MVXBUFFCHRGQDK-UHFFFAOYSA-N 0 3 279.355 3.240 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(F)(F)F)cc1C ZINC000449519074 330933140 /nfs/dbraw/zinc/93/31/40/330933140.db2.gz LCPSGYIQFVYFIC-KGLIPLIRSA-N 0 3 285.309 3.447 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccsc1Cl ZINC000449546984 330935378 /nfs/dbraw/zinc/93/53/78/330935378.db2.gz GELNSPRBJMLTMG-MNOVXSKESA-N 0 3 257.786 3.225 20 30 CGEDHN CC#CCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543502 331033394 /nfs/dbraw/zinc/03/33/94/331033394.db2.gz CCJAFBURAKGRGZ-HNNXBMFYSA-N 0 3 272.348 3.188 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451554481 331034247 /nfs/dbraw/zinc/03/42/47/331034247.db2.gz ZZCTUBSJIHNHPA-FRFSOERESA-N 0 3 299.374 3.466 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451673047 331038363 /nfs/dbraw/zinc/03/83/63/331038363.db2.gz JYBIFZDUNFBJBX-OCCSQVGLSA-N 0 3 296.754 3.071 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000453335054 331118287 /nfs/dbraw/zinc/11/82/87/331118287.db2.gz FJDOCIBIJBMIHE-XHSDSOJGSA-N 0 3 290.363 3.369 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H]1CC(C)(C)Cc2occc21 ZINC000453336989 331118535 /nfs/dbraw/zinc/11/85/35/331118535.db2.gz BMEIXOVEULMFMA-GXTWGEPZSA-N 0 3 263.381 3.210 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H]1CC(C)(C)Cc2occc21 ZINC000453336992 331118619 /nfs/dbraw/zinc/11/86/19/331118619.db2.gz BMEIXOVEULMFMA-JSGCOSHPSA-N 0 3 263.381 3.210 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(C)ccc1OC ZINC000453354253 331121380 /nfs/dbraw/zinc/12/13/80/331121380.db2.gz NFFINPIDWZYIFS-BMFZPTHFSA-N 0 3 275.392 3.388 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)sc1C ZINC000453360512 331122295 /nfs/dbraw/zinc/12/22/95/331122295.db2.gz OLAHXUHQJGNBLG-HONMWMINSA-N 0 3 251.395 3.359 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000453361033 331122456 /nfs/dbraw/zinc/12/24/56/331122456.db2.gz QBMAJEJQACYZQJ-XHSDSOJGSA-N 0 3 291.366 3.145 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000453372531 331124261 /nfs/dbraw/zinc/12/42/61/331124261.db2.gz VXKYWLCBOGMAAC-VQISRLSMSA-N 0 3 267.319 3.349 20 30 CGEDHN CC(C)(C)C1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000457338793 331219457 /nfs/dbraw/zinc/21/94/57/331219457.db2.gz GAFNSFOMRJOBGQ-HNNXBMFYSA-N 0 3 284.403 3.263 20 30 CGEDHN C=CCC1(NCc2cc(COC)on2)CCCCC1 ZINC000459572269 331288440 /nfs/dbraw/zinc/28/84/40/331288440.db2.gz PPSJLCKDEZPCEM-UHFFFAOYSA-N 0 3 264.369 3.190 20 30 CGEDHN CC(C)(CC#N)CNCc1cccc(OCCCC#N)c1 ZINC000459727557 331296169 /nfs/dbraw/zinc/29/61/69/331296169.db2.gz HDUDDNKGUWSRRV-UHFFFAOYSA-N 0 3 285.391 3.399 20 30 CGEDHN CC(C)(CC#N)CNCc1ccnn1-c1ccc(F)cc1 ZINC000459735625 331296877 /nfs/dbraw/zinc/29/68/77/331296877.db2.gz TYWWYCVWAJKMLF-UHFFFAOYSA-N 0 3 286.354 3.041 20 30 CGEDHN C=CCc1cc(CNCC(C)(C)CC#N)cc(OC)c1O ZINC000459739012 331297241 /nfs/dbraw/zinc/29/72/41/331297241.db2.gz YQABMKSQYKJYEI-UHFFFAOYSA-N 0 3 288.391 3.159 20 30 CGEDHN CC#CCCN(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000462324214 331319819 /nfs/dbraw/zinc/31/98/19/331319819.db2.gz FCLMWAAEMPCHNS-LJQANCHMSA-N 0 3 285.431 3.432 20 30 CGEDHN C=C(C)COCCNCc1c(F)cccc1CC ZINC000474801960 331599299 /nfs/dbraw/zinc/59/92/99/331599299.db2.gz TXYZSKHIXFNBGN-UHFFFAOYSA-N 0 3 251.345 3.070 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H]1C(C)C)C(C)C ZINC000475299939 331623141 /nfs/dbraw/zinc/62/31/41/331623141.db2.gz WVZOWOCGZBRMKK-BRWVUGGUSA-N 0 3 292.467 3.093 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@](C)(CC)CCC)CC1 ZINC000475642230 331640330 /nfs/dbraw/zinc/64/03/30/331640330.db2.gz LSEJRAOWTODVQR-KRWDZBQOSA-N 0 3 280.456 3.360 20 30 CGEDHN CC(C)C[C@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000487445602 331970369 /nfs/dbraw/zinc/97/03/69/331970369.db2.gz VJZIXAPDNKPQHF-WMZOPIPTSA-N 0 3 285.435 3.303 20 30 CGEDHN C=C[C@H]1CCCCN1CCOCCOc1ccccc1 ZINC000489432607 332051760 /nfs/dbraw/zinc/05/17/60/332051760.db2.gz STEWVOQZJKJWHG-INIZCTEOSA-N 0 3 275.392 3.123 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)N1CCc2ccccc21 ZINC000489442835 332052737 /nfs/dbraw/zinc/05/27/37/332052737.db2.gz BJYXQAYLTUEVQH-INIZCTEOSA-N 0 3 284.403 3.006 20 30 CGEDHN C=C[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000489496843 332056579 /nfs/dbraw/zinc/05/65/79/332056579.db2.gz MDCNMZTTYPUKGD-CYBMUJFWSA-N 0 3 276.336 3.014 20 30 CGEDHN C#CCN(CC1CCC(=O)CC1)[C@H]1CCc2ccccc21 ZINC000491294293 332182924 /nfs/dbraw/zinc/18/29/24/332182924.db2.gz AUWKVHIAXXUTAC-IBGZPJMESA-N 0 3 281.399 3.368 20 30 CGEDHN C=CCCCN(C)Cc1cnn(Cc2ccccc2)c1 ZINC000172237725 335098545 /nfs/dbraw/zinc/09/85/45/335098545.db2.gz BZKGWNZKBGRASE-UHFFFAOYSA-N 0 3 269.392 3.329 20 30 CGEDHN CCC[C@]1(NCC#Cc2ccccc2Cl)CCOC1 ZINC000512286260 332961513 /nfs/dbraw/zinc/96/15/13/332961513.db2.gz NRKCFEPGYWGPSO-INIZCTEOSA-N 0 3 277.795 3.240 20 30 CGEDHN C=CCNC(=O)CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000175434749 333024829 /nfs/dbraw/zinc/02/48/29/333024829.db2.gz TWGFTBXOTPJOKL-QWHCGFSZSA-N 0 3 294.826 3.066 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185329674 333138653 /nfs/dbraw/zinc/13/86/53/333138653.db2.gz SSOLIRRLSUVPKH-STQMWFEESA-N 0 3 281.346 3.081 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185329689 333138685 /nfs/dbraw/zinc/13/86/85/333138685.db2.gz SSOLIRRLSUVPKH-QWHCGFSZSA-N 0 3 281.346 3.081 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000185882418 333150851 /nfs/dbraw/zinc/15/08/51/333150851.db2.gz PZSYYPMRHCMLIQ-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(C(F)(F)F)cc1C ZINC000191077105 333214811 /nfs/dbraw/zinc/21/48/11/333214811.db2.gz WPCYGIOVPDEYFV-CYBMUJFWSA-N 0 3 273.298 3.040 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cnn(C(C)C)c1C ZINC000191380824 333218941 /nfs/dbraw/zinc/21/89/41/333218941.db2.gz VUVKDWHPIMORDT-CYBMUJFWSA-N 0 3 265.401 3.016 20 30 CGEDHN CC(C#N)C(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000522979983 333302906 /nfs/dbraw/zinc/30/29/06/333302906.db2.gz AAIUIRLYGPKDFS-HNNXBMFYSA-N 0 3 292.382 3.116 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000523760337 333344430 /nfs/dbraw/zinc/34/44/30/333344430.db2.gz QDLNEQVRXDFMHL-WMZOPIPTSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCOCCN(C)Cc1cccc(Br)c1 ZINC000338928097 335137206 /nfs/dbraw/zinc/13/72/06/335137206.db2.gz ZGBJNQCFIAWBKU-UHFFFAOYSA-N 0 3 284.197 3.084 20 30 CGEDHN N#CCCCCN1CCC(Oc2cccc(F)c2)CC1 ZINC000528573763 333446734 /nfs/dbraw/zinc/44/67/34/333446734.db2.gz FWNJMFZATPPGDQ-UHFFFAOYSA-N 0 3 276.355 3.363 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000538290569 333583446 /nfs/dbraw/zinc/58/34/46/333583446.db2.gz LCMAGMIQQCALMV-CVEARBPZSA-N 0 3 293.455 3.001 20 30 CGEDHN N#Cc1ccc(CNCCCc2cccc(F)c2)o1 ZINC000174374226 335153523 /nfs/dbraw/zinc/15/35/23/335153523.db2.gz AJLOLZYXKWRONK-UHFFFAOYSA-N 0 3 258.296 3.013 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000564276914 333923900 /nfs/dbraw/zinc/92/39/00/333923900.db2.gz KHCWJCQOLXIKTN-CABCVRRESA-N 0 3 258.340 3.355 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000079324117 334151629 /nfs/dbraw/zinc/15/16/29/334151629.db2.gz LEVHCRAJKVHGDZ-JKSUJKDBSA-N 0 3 288.435 3.459 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000549831481 334206000 /nfs/dbraw/zinc/20/60/00/334206000.db2.gz YKOLWSXQMFRFPU-IPYPFGDCSA-N 0 3 298.365 3.354 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000550961829 334234951 /nfs/dbraw/zinc/23/49/51/334234951.db2.gz MLZBYBQXRIJJQL-HNNXBMFYSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249032371 334325154 /nfs/dbraw/zinc/32/51/54/334325154.db2.gz SSOLIRRLSUVPKH-OLZOCXBDSA-N 0 3 281.346 3.081 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](C)[C@H](OC)C2)c1 ZINC000249242244 334330573 /nfs/dbraw/zinc/33/05/73/334330573.db2.gz WSTDKMSAXFVFSM-WMLDXEAASA-N 0 3 275.392 3.108 20 30 CGEDHN CC[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)N(CC)CC ZINC000555210652 334471124 /nfs/dbraw/zinc/47/11/24/334471124.db2.gz YMTHAYQJROAHIK-WBVHZDCISA-N 0 3 293.455 3.086 20 30 CGEDHN C=CCCCCN(CCOC)Cc1scnc1C ZINC000580619336 335303663 /nfs/dbraw/zinc/30/36/63/335303663.db2.gz XWPJSZNJXNQMTC-UHFFFAOYSA-N 0 3 268.426 3.256 20 30 CGEDHN Cc1cnc(CCN(C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000580644560 335310132 /nfs/dbraw/zinc/31/01/32/335310132.db2.gz TZGQLOVGJSULJB-UHFFFAOYSA-N 0 3 279.387 3.245 20 30 CGEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000580657163 335314296 /nfs/dbraw/zinc/31/42/96/335314296.db2.gz KRCRSKJKJGYNQV-UHFFFAOYSA-N 0 3 284.363 3.229 20 30 CGEDHN COc1cc(CNC/C=C/c2ccccc2)ccc1C#N ZINC000577309470 335337736 /nfs/dbraw/zinc/33/77/36/335337736.db2.gz ZQSRREGWLYKBLA-VMPITWQZSA-N 0 3 278.355 3.370 20 30 CGEDHN C[C@@H]1CCCC[C@H]1OCCNCc1cc(C#N)cs1 ZINC000177687838 335379241 /nfs/dbraw/zinc/37/92/41/335379241.db2.gz FCSRHKBZQHMFTK-IUODEOHRSA-N 0 3 278.421 3.305 20 30 CGEDHN CCc1nc2ccccc2c(NCCCC#N)c1C ZINC000577884799 335417004 /nfs/dbraw/zinc/41/70/04/335417004.db2.gz LFRVUSHQHJQFMW-UHFFFAOYSA-N 0 3 253.349 3.243 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](CC)c1ccccc1OCC ZINC000179748102 335514040 /nfs/dbraw/zinc/51/40/40/335514040.db2.gz FYAWUFXSJJXHIQ-GDBMZVCRSA-N 0 3 277.408 3.453 20 30 CGEDHN C[C@@H](CNCc1nc(C#N)cs1)C1CCCCC1 ZINC000581517605 336092999 /nfs/dbraw/zinc/09/29/99/336092999.db2.gz NWXDMGPJJLDRBA-NSHDSACASA-N 0 3 263.410 3.321 20 30 CGEDHN C=C(C)CCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000386872065 336181464 /nfs/dbraw/zinc/18/14/64/336181464.db2.gz KXPGQBXWQYTYCQ-LBPRGKRZSA-N 0 3 261.365 3.074 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc([O-])c2nc(C)ccc12 ZINC000568028640 517343341 /nfs/dbraw/zinc/34/33/41/517343341.db2.gz YSHPNIINXFMITN-WBVHZDCISA-N 0 3 298.386 3.072 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000184914392 518630457 /nfs/dbraw/zinc/63/04/57/518630457.db2.gz FRHCYBGGEQMPOE-GDBMZVCRSA-N 0 3 274.408 3.008 20 30 CGEDHN C=C(C)[C@@H](NCCCOC)c1ccc(F)c(F)c1 ZINC000187792742 518641889 /nfs/dbraw/zinc/64/18/89/518641889.db2.gz QRZLTXJYRBGCDE-CQSZACIVSA-N 0 3 255.308 3.208 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000184280567 519117717 /nfs/dbraw/zinc/11/77/17/519117717.db2.gz GMTKYVBXSAPGPF-LLVKDONJSA-N 0 3 293.313 3.251 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cnn(C(C)C)c1C ZINC000191396412 534778343 /nfs/dbraw/zinc/77/83/43/534778343.db2.gz AFBDYADIRBTWSW-CYBMUJFWSA-N 0 3 265.401 3.016 20 30 CGEDHN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000184641355 525564606 /nfs/dbraw/zinc/56/46/06/525564606.db2.gz TUTYVNHGUGZQDN-GFCCVEGCSA-N 0 3 296.374 3.277 20 30 CGEDHN C=CCN(CCC(=O)Nc1ccccc1)CCc1ccco1 ZINC000352700007 526273501 /nfs/dbraw/zinc/27/35/01/526273501.db2.gz JSNJQXCVWJRIAU-UHFFFAOYSA-N 0 3 298.386 3.339 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000106039462 526601027 /nfs/dbraw/zinc/60/10/27/526601027.db2.gz PAJAUXDFXHISBE-UHFFFAOYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1cccc(F)c1 ZINC000166684820 526658083 /nfs/dbraw/zinc/65/80/83/526658083.db2.gz MOTIORSFNLABCD-OAHLLOKOSA-N 0 3 251.345 3.459 20 30 CGEDHN C=CCOc1ccc(CN2CCC23CCC3)cc1OC ZINC000353646091 526865688 /nfs/dbraw/zinc/86/56/88/526865688.db2.gz IAFPCLTZUNKCFJ-UHFFFAOYSA-N 0 3 273.376 3.388 20 30 CGEDHN C=C(Cl)CN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000367044513 526891302 /nfs/dbraw/zinc/89/13/02/526891302.db2.gz WJUOTQNTOZNVDR-JSGCOSHPSA-N 0 3 250.773 3.450 20 30 CGEDHN C=C1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000353320144 526904648 /nfs/dbraw/zinc/90/46/48/526904648.db2.gz KLKJTZAAAIOWBG-UHFFFAOYSA-N 0 3 253.349 3.024 20 30 CGEDHN C=CCOc1ccccc1CN(C)CCc1ccncc1 ZINC000350389984 526930252 /nfs/dbraw/zinc/93/02/52/526930252.db2.gz JMWGAOMUDLRLQA-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN C=CCCCN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000344595124 527195963 /nfs/dbraw/zinc/19/59/63/527195963.db2.gz YGVSSIXOVCQRLT-INIZCTEOSA-N 0 3 272.392 3.080 20 30 CGEDHN C=CCCOCCNC/C=C\c1ccc(F)c(F)c1 ZINC000352760007 527366622 /nfs/dbraw/zinc/36/66/22/527366622.db2.gz MYUKTHJUHVUZIM-PLNGDYQASA-N 0 3 267.319 3.160 20 30 CGEDHN C=CCC[C@@H](NCCOCC(F)F)c1ccco1 ZINC000353667612 527447545 /nfs/dbraw/zinc/44/75/45/527447545.db2.gz CIMKIMQAFSZHGY-LLVKDONJSA-N 0 3 259.296 3.158 20 30 CGEDHN C=CCC[C@H](NC[C@@H]1CCCN1CC)c1ccco1 ZINC000353443998 527485009 /nfs/dbraw/zinc/48/50/09/527485009.db2.gz FEBQCSOXNZMCOB-GJZGRUSLSA-N 0 3 262.397 3.361 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000353579835 527595397 /nfs/dbraw/zinc/59/53/97/527595397.db2.gz VODVOKSVJOMAIS-BXKDBHETSA-N 0 3 294.445 3.378 20 30 CGEDHN CCN(CCCC(C)(C)C#N)CC(=O)N1CCCCCC1 ZINC000353195272 528431098 /nfs/dbraw/zinc/43/10/98/528431098.db2.gz CTDNHIJLWMOUAY-UHFFFAOYSA-N 0 3 293.455 3.041 20 30 CGEDHN CC(C)C[C@H](NC(=O)C(C)C#N)c1cccs1 ZINC000347045092 528567706 /nfs/dbraw/zinc/56/77/06/528567706.db2.gz ZDBZKWTZFVHGJA-QWRGUYRKSA-N 0 3 250.367 3.111 20 30 CGEDHN CCN(CCOc1cccc(C#N)c1)Cc1occc1C ZINC000412025504 528573885 /nfs/dbraw/zinc/57/38/85/528573885.db2.gz IUOIQALGNIEVNU-UHFFFAOYSA-N 0 3 284.359 3.361 20 30 CGEDHN CC(C)N(CCOCC1CC1)Cc1ccc(C#N)cc1 ZINC000159768686 528910513 /nfs/dbraw/zinc/91/05/13/528910513.db2.gz XIOFIZFLRDTOGH-UHFFFAOYSA-N 0 3 272.392 3.195 20 30 CGEDHN CC1(C)CC[C@@H](CNC2(c3cccc(C#N)c3)CC2)O1 ZINC000411468116 529024286 /nfs/dbraw/zinc/02/42/86/529024286.db2.gz FYQAFJHROOSDKX-HNNXBMFYSA-N 0 3 270.376 3.095 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000450661655 536643676 /nfs/dbraw/zinc/64/36/76/536643676.db2.gz FYKQUBUZVGMPJF-KXBFYZLASA-N 0 3 294.398 3.467 20 30 CGEDHN CCCNN=C1CCCC[C@H]1N1CCCCCC1 ZINC000749814745 573038054 /nfs/dbraw/zinc/03/80/54/573038054.db2.gz FMAOSTIIAPBJQE-OAHLLOKOSA-N 0 3 251.418 3.161 20 30 CGEDHN CCCCCCCCN(C)CCc1noc(C)n1 ZINC000740875782 571890763 /nfs/dbraw/zinc/89/07/63/571890763.db2.gz IVFKHDREXXNVQM-UHFFFAOYSA-N 0 3 253.390 3.213 20 30 CGEDHN C=CCCCCCN(C)C(=S)NC[C@@H]1CCCN1CC ZINC000739457761 572417911 /nfs/dbraw/zinc/41/79/11/572417911.db2.gz KTQWGLRTNRXLTC-HNNXBMFYSA-N 0 3 297.512 3.023 20 30 CGEDHN C[C@@H]1C[C@@H](/N=C\c2c([O-])ccc3ccccc32)CC[N@@H+]1C ZINC000741463320 572499485 /nfs/dbraw/zinc/49/94/85/572499485.db2.gz DCHNZJHDLANYMT-CNANTTMZSA-N 0 3 282.387 3.447 20 30 CGEDHN C[C@@H]1C[C@@H](/N=C\c2c([O-])ccc3ccccc32)CC[N@H+]1C ZINC000741463320 572499487 /nfs/dbraw/zinc/49/94/87/572499487.db2.gz DCHNZJHDLANYMT-CNANTTMZSA-N 0 3 282.387 3.447 20 30 CGEDHN C#CCCCNCc1c(C)nn(CCCC)c1Cl ZINC000742385103 572573937 /nfs/dbraw/zinc/57/39/37/572573937.db2.gz KARWPXNSBYHDSD-UHFFFAOYSA-N 0 3 267.804 3.148 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)CCC1=NNC1CCCC1 ZINC000734365626 572648827 /nfs/dbraw/zinc/64/88/27/572648827.db2.gz NTFSNLHVABEXQO-OAHLLOKOSA-N 0 3 285.435 3.417 20 30 CGEDHN CCCC=CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000735208238 572709077 /nfs/dbraw/zinc/70/90/77/572709077.db2.gz XSFUGRYAOPBHGY-SOZJPDODSA-N 0 3 254.289 3.360 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3CCC3)nc21 ZINC000744160679 572715632 /nfs/dbraw/zinc/71/56/32/572715632.db2.gz ONDJHHDTRWTPDN-LBPRGKRZSA-N 0 3 267.332 3.238 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC3CCC3)[nH]c21 ZINC000744160679 572715636 /nfs/dbraw/zinc/71/56/36/572715636.db2.gz ONDJHHDTRWTPDN-LBPRGKRZSA-N 0 3 267.332 3.238 20 30 CGEDHN N#CC(C(=O)C=CC1CCCCC1)C(=O)Nc1ccccc1 ZINC000735594326 572731105 /nfs/dbraw/zinc/73/11/05/572731105.db2.gz XKCXNKHUVCMTJX-YUQCYMQKSA-N 0 3 296.370 3.470 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@H]3CCCO3)nc21 ZINC000735787917 572740453 /nfs/dbraw/zinc/74/04/53/572740453.db2.gz AIJQWOIVZMVAJE-CHWSQXEVSA-N 0 3 297.358 3.007 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@H]3CCCO3)[nH]c21 ZINC000735787917 572740457 /nfs/dbraw/zinc/74/04/57/572740457.db2.gz AIJQWOIVZMVAJE-CHWSQXEVSA-N 0 3 297.358 3.007 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC3CC3)nc21 ZINC000735789048 572740497 /nfs/dbraw/zinc/74/04/97/572740497.db2.gz JAQCUXJCDAIDCW-GFCCVEGCSA-N 0 3 267.332 3.238 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC3CC3)[nH]c21 ZINC000735789048 572740499 /nfs/dbraw/zinc/74/04/99/572740499.db2.gz JAQCUXJCDAIDCW-GFCCVEGCSA-N 0 3 267.332 3.238 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](OC)C(C)C)c([O-])c1 ZINC000745977553 572847021 /nfs/dbraw/zinc/84/70/21/572847021.db2.gz XPENKXACQDQKEO-AUUUKSDWSA-N 0 3 292.423 3.328 20 30 CGEDHN CCCCCCCCC(=O)N1CCC12CCN(C)CC2 ZINC000747979289 572957202 /nfs/dbraw/zinc/95/72/02/572957202.db2.gz XRGPBBKJHNMFNZ-UHFFFAOYSA-N 0 3 280.456 3.434 20 30 CGEDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C#N)s1 ZINC000749110714 572989176 /nfs/dbraw/zinc/98/91/76/572989176.db2.gz OAMVIYFPZUPWBZ-UHFFFAOYSA-N 0 3 285.416 3.284 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964777704 613324316 /nfs/dbraw/zinc/32/43/16/613324316.db2.gz XEUAHYFNUOUSHO-WBVHZDCISA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964777702 613332928 /nfs/dbraw/zinc/33/29/28/613332928.db2.gz XEUAHYFNUOUSHO-RDJZCZTQSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2ccc(CC)s2)CC1 ZINC000981569414 613497052 /nfs/dbraw/zinc/49/70/52/613497052.db2.gz JZFRCRYEDVGVDC-UHFFFAOYSA-N 0 3 292.448 3.035 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000940554317 613742791 /nfs/dbraw/zinc/74/27/91/613742791.db2.gz QGWJLNOLEBYIOY-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001020954442 617821118 /nfs/dbraw/zinc/82/11/18/617821118.db2.gz VBNREMIANVVYPO-KTSLABGISA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@]2(C)CCC[C@@H]2CC)C1 ZINC001022285664 618252224 /nfs/dbraw/zinc/25/22/24/618252224.db2.gz JWFCHKPRUBVQJY-TTZDDIAXSA-N 0 3 298.858 3.192 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccnc2)c([O-])c1 ZINC000255516744 618641195 /nfs/dbraw/zinc/64/11/95/618641195.db2.gz MKMHHFNEFCQTHG-UYRXBGFRSA-N 0 3 283.375 3.253 20 30 CGEDHN CC1(C)CC2(CC(NCC3(C#N)CCCCC3)C2)CO1 ZINC000926712410 618834325 /nfs/dbraw/zinc/83/43/25/618834325.db2.gz MSQQFGIQGHFIRL-UHFFFAOYSA-N 0 3 276.424 3.398 20 30 CGEDHN C#C[C@@H](NCc1cccc(OC(F)(F)F)c1)C(C)C ZINC000311281489 618902528 /nfs/dbraw/zinc/90/25/28/618902528.db2.gz CDQYFUUWYGYCAK-CYBMUJFWSA-N 0 3 271.282 3.333 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CN(C)Cc2ccccc21 ZINC000925634936 619099659 /nfs/dbraw/zinc/09/96/59/619099659.db2.gz NAPUIXIFHWCRCD-CZUORRHYSA-N 0 3 271.408 3.091 20 30 CGEDHN C=C(Br)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185219473 625320994 /nfs/dbraw/zinc/32/09/94/625320994.db2.gz ZQRNJLXXZKWJDF-GHMZBOCLSA-N 0 3 276.218 3.077 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nn(CC)nc1C ZINC000925711451 619157437 /nfs/dbraw/zinc/15/74/37/619157437.db2.gz ZESRQQVEROVUSB-NEPJUHHUSA-N 0 3 250.390 3.002 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)Cc2c[nH]nc21 ZINC000931464942 619172299 /nfs/dbraw/zinc/17/22/99/619172299.db2.gz CMEBCYMWDWBHKI-CYBMUJFWSA-N 0 3 272.396 3.193 20 30 CGEDHN C#CCC1(NCc2cnc(-c3ccccc3)o2)CCOCC1 ZINC000931760063 619250518 /nfs/dbraw/zinc/25/05/18/619250518.db2.gz GFXLTVNDFBXDID-UHFFFAOYSA-N 0 3 296.370 3.004 20 30 CGEDHN CC(C)(CNCC#Cc1ccccc1)C(F)(F)F ZINC000894263990 619452341 /nfs/dbraw/zinc/45/23/41/619452341.db2.gz NEGSRTGSRFEBDQ-UHFFFAOYSA-N 0 3 255.283 3.216 20 30 CGEDHN C#CC1(NCc2c(C)nn(C(C)(C)C)c2C)CCCC1 ZINC000895675658 619867343 /nfs/dbraw/zinc/86/73/43/619867343.db2.gz SYTZWPUODLQULE-UHFFFAOYSA-N 0 3 273.424 3.291 20 30 CGEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CCCc2cccnc21 ZINC000897070752 620134709 /nfs/dbraw/zinc/13/47/09/620134709.db2.gz OCRRKXXCLVCPDP-GOEBONIOSA-N 0 3 299.418 3.148 20 30 CGEDHN CC(=NNc1ccnc(C)c1)c1cc(C)sc1C ZINC000863158985 620330405 /nfs/dbraw/zinc/33/04/05/620330405.db2.gz YHNLLLLWXUNHHU-UHFFFAOYSA-N 0 3 259.378 3.326 20 30 CGEDHN C[C@H](CCc1ccc(F)cc1)NCc1nc(C#N)cs1 ZINC000897628086 620413719 /nfs/dbraw/zinc/41/37/19/620413719.db2.gz CAORNONAYXOKTB-LLVKDONJSA-N 0 3 289.379 3.265 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cnn(CC2CCC2)c1 ZINC000898178318 620490212 /nfs/dbraw/zinc/49/02/12/620490212.db2.gz ALWGRBSRICQGAW-QRTARXTBSA-N 0 3 286.423 3.416 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000989772746 620524492 /nfs/dbraw/zinc/52/44/92/620524492.db2.gz ISOFYEJCBAOCIY-SJORKVTESA-N 0 3 292.467 3.313 20 30 CGEDHN CC(C)[C@H](N[C@H](C)c1cccc(C#N)c1)c1cnn(C)c1 ZINC000927070546 620570331 /nfs/dbraw/zinc/57/03/31/620570331.db2.gz OXAPEBUQZIRTGE-DYVFJYSZSA-N 0 3 282.391 3.340 20 30 CGEDHN CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000901312227 620855122 /nfs/dbraw/zinc/85/51/22/620855122.db2.gz WHTIDKMKSWFTRD-YWVIFJGQSA-N 0 3 289.423 3.022 20 30 CGEDHN CCc1cc(CN[C@H](CC)c2cccc(C#N)c2)n[nH]1 ZINC000902804453 621443388 /nfs/dbraw/zinc/44/33/88/621443388.db2.gz RDSUJKLUHUABDI-MRXNPFEDSA-N 0 3 268.364 3.085 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C)ncn1)[C@@]1(C)CCCCO1 ZINC000902887333 621484450 /nfs/dbraw/zinc/48/44/50/621484450.db2.gz HPOFDWUJGATXBB-IAGOWNOFSA-N 0 3 289.423 3.169 20 30 CGEDHN Cc1ccc(C(C)(C)CN[C@H](C)c2cc(C#N)ccn2)nc1 ZINC000903069174 621568527 /nfs/dbraw/zinc/56/85/27/621568527.db2.gz CDAQBLHYULWKKT-CQSZACIVSA-N 0 3 294.402 3.285 20 30 CGEDHN COc1cccc(C[C@H](NCC(C)(C)C#N)C2CC2)c1 ZINC000903100776 621574375 /nfs/dbraw/zinc/57/43/75/621574375.db2.gz XOFXKASUYSSRBC-INIZCTEOSA-N 0 3 272.392 3.156 20 30 CGEDHN Cc1ccc(C[C@H](NCC(C)(C)C#N)C2CC2)cc1 ZINC000903100731 621574635 /nfs/dbraw/zinc/57/46/35/621574635.db2.gz WMZOQNIRAFREIA-INIZCTEOSA-N 0 3 256.393 3.456 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cn(C)nc2Br)C1 ZINC000903187357 621626889 /nfs/dbraw/zinc/62/68/89/621626889.db2.gz BHAFOYPHHHVGMD-JQWIXIFHSA-N 0 3 298.228 3.017 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186228 621627356 /nfs/dbraw/zinc/62/73/56/621627356.db2.gz JZNXBTYEASGECD-LLVKDONJSA-N 0 3 264.325 3.220 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cn(C)nc2Br)C1 ZINC000903187358 621627431 /nfs/dbraw/zinc/62/74/31/621627431.db2.gz BHAFOYPHHHVGMD-PWSUYJOCSA-N 0 3 298.228 3.017 20 30 CGEDHN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1nc(C#N)cs1 ZINC000903263521 621648527 /nfs/dbraw/zinc/64/85/27/621648527.db2.gz NOONCLATBYMDHY-WZRBSPASSA-N 0 3 263.410 3.319 20 30 CGEDHN CCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000905083174 622033384 /nfs/dbraw/zinc/03/33/84/622033384.db2.gz CBLVIVNNBABXDV-KMHUVPDISA-N 0 3 297.358 3.216 20 30 CGEDHN CC1/C(=C/c2ccc(C3CCC3)cc2)C(=O)c2ncnn21 ZINC000905085644 622033877 /nfs/dbraw/zinc/03/38/77/622033877.db2.gz OWRBEWRDQJMHSA-GPILYODUSA-N 0 3 279.343 3.387 20 30 CGEDHN N#Cc1cc(Cl)cc(-c2cnc([C@H]3CCCN3)nc2)c1 ZINC000906185820 622175875 /nfs/dbraw/zinc/17/58/75/622175875.db2.gz QDWXSBRGDHFIEI-CQSZACIVSA-N 0 3 284.750 3.093 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000911659580 622541295 /nfs/dbraw/zinc/54/12/95/622541295.db2.gz CZSHXRPHDODYQL-HNNXBMFYSA-N 0 3 277.412 3.285 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1SC ZINC000911943808 622571274 /nfs/dbraw/zinc/57/12/74/622571274.db2.gz QLULQLNKURXSMS-NSHDSACASA-N 0 3 264.394 3.031 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1C(C)C ZINC000911931791 622575725 /nfs/dbraw/zinc/57/57/25/622575725.db2.gz QWHDPUWJSDLIRA-CQSZACIVSA-N 0 3 260.381 3.432 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000911935479 622577808 /nfs/dbraw/zinc/57/78/08/622577808.db2.gz UDLMODGPZVOXMI-LBPRGKRZSA-N 0 3 270.735 3.101 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1F ZINC000911937875 622577964 /nfs/dbraw/zinc/57/79/64/622577964.db2.gz AAFSYPLJARPKNR-LLVKDONJSA-N 0 3 270.735 3.101 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000769963577 625580365 /nfs/dbraw/zinc/58/03/65/625580365.db2.gz WSWFSYVLIMECRH-SNVBAGLBSA-N 0 3 257.255 3.039 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000912352192 622637194 /nfs/dbraw/zinc/63/71/94/622637194.db2.gz MERXCDFUDHHITB-GDBMZVCRSA-N 0 3 274.408 3.198 20 30 CGEDHN CCCCCCC[C@H](C)N[C@@H](C)c1nncn1C ZINC000059446006 623008335 /nfs/dbraw/zinc/00/83/35/623008335.db2.gz JEVMBQWOEYDINQ-STQMWFEESA-N 0 3 252.406 3.215 20 30 CGEDHN C#CCCCNCc1cccc(F)c1Br ZINC000229836698 623168094 /nfs/dbraw/zinc/16/80/94/623168094.db2.gz MOFLTKDSXOWLBH-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000173953185 623350806 /nfs/dbraw/zinc/35/08/06/623350806.db2.gz WPFPTVVBVBEOEG-MFKMUULPSA-N 0 3 292.766 3.424 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993637829 624055361 /nfs/dbraw/zinc/05/53/61/624055361.db2.gz VCYYBKRJCYKMON-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C#CCCCN1CCN(CCCC#C)C2(CCCCC2)C1 ZINC000766920051 624424691 /nfs/dbraw/zinc/42/46/91/624424691.db2.gz PZOOSCNNLRINCM-UHFFFAOYSA-N 0 3 286.463 3.134 20 30 CGEDHN Cc1cncc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182084487 624938854 /nfs/dbraw/zinc/93/88/54/624938854.db2.gz RVPIXODPKSHHTD-AWEZNQCLSA-N 0 3 281.359 3.143 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2CCCCC2)C1 ZINC000998419214 625809409 /nfs/dbraw/zinc/80/94/09/625809409.db2.gz ZUWLVQLVXKOQHC-UHFFFAOYSA-N 0 3 298.858 3.288 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2c(c1)COC2 ZINC000921861547 625914059 /nfs/dbraw/zinc/91/40/59/625914059.db2.gz JNPXTQXZJKMIFQ-UHFFFAOYSA-N 0 3 292.382 3.495 20 30 CGEDHN CC(C)CSCCNCc1csc(C#N)c1 ZINC000921938865 625937412 /nfs/dbraw/zinc/93/74/12/625937412.db2.gz QLKQBFPDVFNPNP-UHFFFAOYSA-N 0 3 254.424 3.099 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016344446 625967868 /nfs/dbraw/zinc/96/78/68/625967868.db2.gz CRALAQBBMHJMRQ-YJBOKZPZSA-N 0 3 298.430 3.028 20 30 CGEDHN CC(C)(CNCc1csc(C#N)c1)C(F)(F)F ZINC000922109198 625970398 /nfs/dbraw/zinc/97/03/98/625970398.db2.gz ZJDRATYSBDCQLV-UHFFFAOYSA-N 0 3 262.300 3.298 20 30 CGEDHN CCc1ccc([C@@H](O)CNCc2csc(C#N)c2)cc1 ZINC000922121882 625970838 /nfs/dbraw/zinc/97/08/38/625970838.db2.gz JFKDSIVOPDAHTA-INIZCTEOSA-N 0 3 286.400 3.005 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCc2nc(Cl)ccc21 ZINC000840787645 626177367 /nfs/dbraw/zinc/17/73/67/626177367.db2.gz NINLPXAVUONSJP-NSHDSACASA-N 0 3 263.772 3.252 20 30 CGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838788889 626255070 /nfs/dbraw/zinc/25/50/70/626255070.db2.gz WBIMNVAMZPYYSY-JQWIXIFHSA-N 0 3 294.301 3.015 20 30 CGEDHN Cc1ccc([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)s1 ZINC000754668317 626581283 /nfs/dbraw/zinc/58/12/83/626581283.db2.gz OJKQLKCZTULUOE-GFCCVEGCSA-N 0 3 299.399 3.218 20 30 CGEDHN C#CCSCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756742142 626729195 /nfs/dbraw/zinc/72/91/95/626729195.db2.gz ZQFAWSLTGFPLTE-JQWIXIFHSA-N 0 3 279.380 3.036 20 30 CGEDHN C#CCCCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000839700199 626776454 /nfs/dbraw/zinc/77/64/54/626776454.db2.gz CVRPDXPQNLXOFS-UHFFFAOYSA-N 0 3 298.430 3.206 20 30 CGEDHN COc1ccc(CCNN=C(C)c2ccc(N)cc2C)cc1 ZINC000758110386 626827525 /nfs/dbraw/zinc/82/75/25/626827525.db2.gz NXSUHEANHUYBCH-UHFFFAOYSA-N 0 3 297.402 3.142 20 30 CGEDHN C=C(Cl)CN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000761312574 627031775 /nfs/dbraw/zinc/03/17/75/627031775.db2.gz IIDGBFTZQMYDFF-HNNXBMFYSA-N 0 3 278.827 3.382 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc(OC(F)(F)F)cc2)CN1C ZINC000761805022 627061429 /nfs/dbraw/zinc/06/14/29/627061429.db2.gz VYDJWRDXDAUGNW-SECBINFHSA-N 0 3 287.285 3.077 20 30 CGEDHN N#Cc1ccc([C@H](O)CN2CC[C@H]2c2ccccc2)cc1 ZINC000763414649 627157545 /nfs/dbraw/zinc/15/75/45/627157545.db2.gz XQLMZOWJJWDHQS-ZWKOTPCHSA-N 0 3 278.355 3.039 20 30 CGEDHN C#CCCCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000766894268 627367553 /nfs/dbraw/zinc/36/75/53/627367553.db2.gz CSROXRIHKRXSMO-CQSZACIVSA-N 0 3 292.373 3.057 20 30 CGEDHN C#CCCCN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000766918966 627371249 /nfs/dbraw/zinc/37/12/49/627371249.db2.gz ADJQXZFYLNZMSF-KRWDZBQOSA-N 0 3 268.335 3.313 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000767974407 627447308 /nfs/dbraw/zinc/44/73/08/627447308.db2.gz VQRRBKDFRMPIOO-NVXWUHKLSA-N 0 3 287.403 3.406 20 30 CGEDHN C=C(Br)CNC1CCN(c2ccccc2)CC1 ZINC000125097171 634579943 /nfs/dbraw/zinc/57/99/43/634579943.db2.gz VMTXENZVBDBSHF-UHFFFAOYSA-N 0 3 295.224 3.154 20 30 CGEDHN CCCCCCCCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000770003730 627597611 /nfs/dbraw/zinc/59/76/11/627597611.db2.gz ZRLMDPSRFXFWQN-OAHLLOKOSA-N 0 3 289.485 3.246 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2)c(C)n1 ZINC000771378586 627704707 /nfs/dbraw/zinc/70/47/07/627704707.db2.gz BCWXKNUSLYLXNE-CYBMUJFWSA-N 0 3 265.360 3.421 20 30 CGEDHN C[C@H](COc1ccccc1)NCc1ccc(C#N)cc1F ZINC000772919977 627833341 /nfs/dbraw/zinc/83/33/41/627833341.db2.gz XLOVONBGVLXCTH-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN CC(C)[C@H](NCc1ccc(OCC#N)cc1)c1ccccn1 ZINC000775449720 628096628 /nfs/dbraw/zinc/09/66/28/628096628.db2.gz PQTVFDOPWFIEBW-SFHVURJKSA-N 0 3 295.386 3.471 20 30 CGEDHN C#C[C@H](N[C@H](CC)c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775574273 628110040 /nfs/dbraw/zinc/11/00/40/628110040.db2.gz OVAYEYFESXFUDM-IKGGRYGDSA-N 0 3 257.377 3.217 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccnc(N(C)C)c1 ZINC000782173918 628619312 /nfs/dbraw/zinc/61/93/12/628619312.db2.gz GRMSPSTXTVTENE-UHFFFAOYSA-N 0 3 295.430 3.378 20 30 CGEDHN CCOCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000782949942 628669355 /nfs/dbraw/zinc/66/93/55/628669355.db2.gz KHQUIJFHRLRKIY-UHFFFAOYSA-N 0 3 296.370 3.221 20 30 CGEDHN C#CCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784482307 628815328 /nfs/dbraw/zinc/81/53/28/628815328.db2.gz HHFSJKAVJHFXJI-LBPRGKRZSA-N 0 3 253.267 3.128 20 30 CGEDHN COCC#CCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784481382 628815662 /nfs/dbraw/zinc/81/56/62/628815662.db2.gz BRKGOMSPZVXXSY-AWEZNQCLSA-N 0 3 297.320 3.145 20 30 CGEDHN CSC1(C(=O)C(C#N)c2cnc3ccccc3n2)CCC1 ZINC000786517889 628942276 /nfs/dbraw/zinc/94/22/76/628942276.db2.gz HFUUZNGYXHVHIA-NSHDSACASA-N 0 3 297.383 3.092 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(OC(F)F)cc1 ZINC000787997944 629038041 /nfs/dbraw/zinc/03/80/41/629038041.db2.gz SQRBPVLWTWWJGW-UHFFFAOYSA-N 0 3 253.292 3.132 20 30 CGEDHN C#CC1CCN(Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000862399938 629363632 /nfs/dbraw/zinc/36/36/32/629363632.db2.gz IEMNIHJWXPBALD-UHFFFAOYSA-N 0 3 285.387 3.082 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cccc(OC)c2OC(F)F)C1 ZINC000862443260 629375730 /nfs/dbraw/zinc/37/57/30/629375730.db2.gz NCWBWHQFGUTBQF-GFCCVEGCSA-N 0 3 295.329 3.142 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(Cl)cc3c2OCC3)C1 ZINC000862445059 629378046 /nfs/dbraw/zinc/37/80/46/629378046.db2.gz LAHFUTYRDHHPKG-LBPRGKRZSA-N 0 3 275.779 3.120 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccnn2-c2ccccc2C)C1 ZINC000862448554 629381600 /nfs/dbraw/zinc/38/16/00/629381600.db2.gz ZURZAFFPXQUEIO-MRXNPFEDSA-N 0 3 279.387 3.026 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N\C1CC([NH+]2CCCCC2)C1 ZINC000794846820 629587654 /nfs/dbraw/zinc/58/76/54/629587654.db2.gz DQSKNKFNQZPMNP-WQRHYEAKSA-N 0 3 292.810 3.481 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1ccccn1 ZINC000796779014 629831733 /nfs/dbraw/zinc/83/17/33/629831733.db2.gz AVXIXXBDJOZVEQ-MXWKQRLJSA-N 0 3 282.265 3.236 20 30 CGEDHN N#CC(C(=O)CCC(F)F)c1nccc2ccccc21 ZINC000796898290 629855979 /nfs/dbraw/zinc/85/59/79/629855979.db2.gz DWZIXFZXDBWFPG-LBPRGKRZSA-N 0 3 274.270 3.456 20 30 CGEDHN CCCc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000798815723 630099645 /nfs/dbraw/zinc/09/96/45/630099645.db2.gz CTOKRYMAJQZENH-AWEZNQCLSA-N 0 3 296.326 3.193 20 30 CGEDHN C#C[C@@H](NCc1cccc(OCc2ccccn2)c1)C(C)C ZINC000809684414 630779943 /nfs/dbraw/zinc/77/99/43/630779943.db2.gz BDXRWQPINHNJJU-LJQANCHMSA-N 0 3 294.398 3.408 20 30 CGEDHN C#C[C@@H](NCc1ccc(OCC)c(OCC)c1)C(C)C ZINC000809684762 630780644 /nfs/dbraw/zinc/78/06/44/630780644.db2.gz MQKLISBKGDKUAQ-OAHLLOKOSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000809686386 630782864 /nfs/dbraw/zinc/78/28/64/630782864.db2.gz PUZCTDFUKXKCQQ-OAHLLOKOSA-N 0 3 275.392 3.231 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(O)cc2)cc1 ZINC000809754009 630800025 /nfs/dbraw/zinc/80/00/25/630800025.db2.gz ZURPWKYXCODERL-AWEZNQCLSA-N 0 3 296.370 3.315 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(OC(F)F)c1)C(C)(C)C ZINC000809780919 630805055 /nfs/dbraw/zinc/80/50/55/630805055.db2.gz AKHFUCJNGWHKIM-CQSZACIVSA-N 0 3 297.345 3.434 20 30 CGEDHN C#C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000809781299 630806308 /nfs/dbraw/zinc/80/63/08/630806308.db2.gz OIYOJUVWBLOOPC-HQPKTYMTSA-N 0 3 272.348 3.246 20 30 CGEDHN C#C[C@H](NCC1=Cc2ccccc2OC1)C(C)(C)C ZINC000809781573 630806498 /nfs/dbraw/zinc/80/64/98/630806498.db2.gz WNWBUCMKSVIPCQ-INIZCTEOSA-N 0 3 255.361 3.100 20 30 CGEDHN C#CCOCCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000809968861 630823312 /nfs/dbraw/zinc/82/33/12/630823312.db2.gz ISLFGUCIZAIMOR-UHFFFAOYSA-N 0 3 272.175 3.075 20 30 CGEDHN C#CCOc1ccccc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000811513498 631080270 /nfs/dbraw/zinc/08/02/70/631080270.db2.gz IVSYPQHFQRDNCU-GOSISDBHSA-N 0 3 281.399 3.463 20 30 CGEDHN C#CCOc1ccccc1CNC[C@]1(C)CC1(Cl)Cl ZINC000824758044 633284213 /nfs/dbraw/zinc/28/42/13/633284213.db2.gz GUXMHJDGNHJXEU-AWEZNQCLSA-N 0 3 298.213 3.372 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC000868025640 633290607 /nfs/dbraw/zinc/29/06/07/633290607.db2.gz TXBZONYZTJDQNZ-CQSZACIVSA-N 0 3 289.354 3.053 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000876576487 634861272 /nfs/dbraw/zinc/86/12/72/634861272.db2.gz HWLIWJLMMRKDII-GJZGRUSLSA-N 0 3 292.810 3.128 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)c1ccccc1[O-] ZINC000824954315 633309579 /nfs/dbraw/zinc/30/95/79/633309579.db2.gz PNHPCYHEWOFFLB-FMKPAKJESA-N 0 3 261.365 3.167 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)CC1CC(F)(F)C1 ZINC000827515898 633496037 /nfs/dbraw/zinc/49/60/37/633496037.db2.gz JFIIKSHBDZGZOD-UHFFFAOYSA-N 0 3 267.294 3.306 20 30 CGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000829773131 633780674 /nfs/dbraw/zinc/78/06/74/633780674.db2.gz BANFWEZTVOGGAG-HZPDHXFCSA-N 0 3 284.403 3.057 20 30 CGEDHN CC(C)(O)c1ccc(CNCC#Cc2ccccc2)cc1 ZINC000830274233 633846545 /nfs/dbraw/zinc/84/65/45/633846545.db2.gz IFFKQUUKGLCTSP-UHFFFAOYSA-N 0 3 279.383 3.055 20 30 CGEDHN C[C@@H](C#N)OCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830764928 633886213 /nfs/dbraw/zinc/88/62/13/633886213.db2.gz NGLQCFVBRGIFCF-DOTOQJQBSA-N 0 3 282.387 3.308 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2cccc(F)n2)CC1 ZINC000831486150 633967561 /nfs/dbraw/zinc/96/75/61/633967561.db2.gz NMWMEIJJQCPNHZ-AWEZNQCLSA-N 0 3 277.387 3.088 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cc(O)ccc1F ZINC000872046883 633970810 /nfs/dbraw/zinc/97/08/10/633970810.db2.gz NNPWULYQGPDAFN-JTQLQIEISA-N 0 3 255.358 3.101 20 30 CGEDHN CC[C@@H](Cc1cn(C)c2ccccc12)NCCC#N ZINC000872218317 634084468 /nfs/dbraw/zinc/08/44/68/634084468.db2.gz IBQBQGAXNXZSNC-AWEZNQCLSA-N 0 3 255.365 3.003 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C2=CC[C@H](C)CC2)nc(C)n1 ZINC000835060600 634341842 /nfs/dbraw/zinc/34/18/42/634341842.db2.gz RXBPPLSCHZAZAC-HZMBPMFUSA-N 0 3 269.348 3.016 20 30 CGEDHN C#CCCCCCCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000876773002 634896866 /nfs/dbraw/zinc/89/68/66/634896866.db2.gz LDTLZYFFYGYFOD-HXUWFJFHSA-N 0 3 291.460 3.440 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000876976002 634942430 /nfs/dbraw/zinc/94/24/30/634942430.db2.gz KWNLRSHHOZCENE-HUUCEWRRSA-N 0 3 298.858 3.275 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCC[C@@H]2CCCCO2)c1 ZINC000877352305 635029695 /nfs/dbraw/zinc/02/96/95/635029695.db2.gz DEUKERHMZHOFOG-AWEZNQCLSA-N 0 3 293.798 3.046 20 30 CGEDHN C[C@H](CC#N)NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841633101 635203114 /nfs/dbraw/zinc/20/31/14/635203114.db2.gz NBJFZEGISHKWNB-RDTXWAMCSA-N 0 3 296.418 3.234 20 30 CGEDHN Cc1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)n(C)n1 ZINC000841762924 635233617 /nfs/dbraw/zinc/23/36/17/635233617.db2.gz SGDGTUVIHYXFMJ-CXAGYDPISA-N 0 3 294.402 3.328 20 30 CGEDHN CCCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056443 635340509 /nfs/dbraw/zinc/34/05/09/635340509.db2.gz VZKIFGGSDYRNAT-SFHVURJKSA-N 0 3 284.403 3.301 20 30 CGEDHN C=CCC(C)(C)c1noc([C@@H]2CNCc3ccccc32)n1 ZINC000843234836 635623194 /nfs/dbraw/zinc/62/31/94/635623194.db2.gz KEBSGNSBSZJCPR-CQSZACIVSA-N 0 3 283.375 3.158 20 30 CGEDHN CCCCCCCN[C@H](c1nccn1C)C(C)(C)CO ZINC000878874259 635647258 /nfs/dbraw/zinc/64/72/58/635647258.db2.gz HBLDMXAIZXMJQV-CQSZACIVSA-N 0 3 281.444 3.040 20 30 CGEDHN CN(Cc1ccc2cc[nH]c2c1)CC1(CC#N)CC1 ZINC000879728242 635844045 /nfs/dbraw/zinc/84/40/45/635844045.db2.gz NCEHCMMORBDCOD-UHFFFAOYSA-N 0 3 253.349 3.294 20 30 CGEDHN COc1ccccc1[C@H]1CSCCCN1CCCC#N ZINC000880173919 635928378 /nfs/dbraw/zinc/92/83/78/635928378.db2.gz PXLSZPMBPNVGPG-OAHLLOKOSA-N 0 3 290.432 3.479 20 30 CGEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)oc1C ZINC000128723605 636067767 /nfs/dbraw/zinc/06/77/67/636067767.db2.gz ZMGSMFHHERRVCJ-AWEZNQCLSA-N 0 3 296.326 3.166 20 30 CGEDHN C=CCC(CC=C)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845732641 636089446 /nfs/dbraw/zinc/08/94/46/636089446.db2.gz HFXXXNAQALJWAK-CQSZACIVSA-N 0 3 265.397 3.171 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OCC)c(OCC)c2)C1 ZINC000847022689 636314092 /nfs/dbraw/zinc/31/40/92/636314092.db2.gz JBWOQCNBRDOTAB-OAHLLOKOSA-N 0 3 287.403 3.329 20 30 CGEDHN C#C[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000847026602 636316613 /nfs/dbraw/zinc/31/66/13/636316613.db2.gz QDNIQDOEWQHNSY-CHWSQXEVSA-N 0 3 258.321 3.001 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCC(F)(F)F)C1 ZINC000847027485 636316902 /nfs/dbraw/zinc/31/69/02/636316902.db2.gz TVVKDJHMHGDIQI-CYBMUJFWSA-N 0 3 297.320 3.473 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000847026556 636317417 /nfs/dbraw/zinc/31/74/17/636317417.db2.gz QAGYSYWKMQPEME-CYBMUJFWSA-N 0 3 297.354 3.065 20 30 CGEDHN C=CCC[C@@H](NCc1cn2c(cccc2C)n1)[C@H]1CCCO1 ZINC000883188227 636574041 /nfs/dbraw/zinc/57/40/41/636574041.db2.gz HBEDHXPRZQILPG-IAGOWNOFSA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)NCc1cn(CC=C)nn1 ZINC000883230525 636601353 /nfs/dbraw/zinc/60/13/53/636601353.db2.gz JIALAXGQKRMXKA-KRWDZBQOSA-N 0 3 296.418 3.131 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000848923601 636694336 /nfs/dbraw/zinc/69/43/36/636694336.db2.gz GVGZBYJWLYMGOP-CQSZACIVSA-N 0 3 285.387 3.177 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc3cccc(OC)c3o2)C1 ZINC000848924172 636695980 /nfs/dbraw/zinc/69/59/80/636695980.db2.gz WJCALNHIWUWFIG-CYBMUJFWSA-N 0 3 269.344 3.287 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@H](OC2CCC2)C1 ZINC000848925290 636698027 /nfs/dbraw/zinc/69/80/27/636698027.db2.gz RQAOVYGAKLTREU-SFHVURJKSA-N 0 3 299.414 3.232 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](Cn2ccnc2)c2ccccc2)C1 ZINC000883388135 636729835 /nfs/dbraw/zinc/72/98/35/636729835.db2.gz NQMOTPSVLDIMFM-NJAFHUGGSA-N 0 3 294.402 3.296 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1C[C@]12CCOC2 ZINC000886028116 637373910 /nfs/dbraw/zinc/37/39/10/637373910.db2.gz MJQDSJYFKGAJSL-YRXWBPOGSA-N 0 3 296.414 3.185 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC000886302397 637489580 /nfs/dbraw/zinc/48/95/80/637489580.db2.gz LIMOGUNGCWRKAT-IEBWSBKVSA-N 0 3 296.414 3.068 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886302396 637490053 /nfs/dbraw/zinc/49/00/53/637490053.db2.gz LIMOGUNGCWRKAT-HKUYNNGSSA-N 0 3 296.414 3.068 20 30 CGEDHN C[C@H]1c2sccc2CCN1C[C@@H](O)CC1(C#N)CCC1 ZINC000886318035 637498061 /nfs/dbraw/zinc/49/80/61/637498061.db2.gz IALHSRRIPRIMKT-JSGCOSHPSA-N 0 3 290.432 3.112 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000852104521 637597155 /nfs/dbraw/zinc/59/71/55/637597155.db2.gz JMUQQTIGGGMRNL-AWEZNQCLSA-N 0 3 280.293 3.469 20 30 CGEDHN Cc1ccc(CN2CCC[C@H](c3ncccn3)C2)cc1C#N ZINC000886690225 637654592 /nfs/dbraw/zinc/65/45/92/637654592.db2.gz RRZCAKPYBPVJLF-INIZCTEOSA-N 0 3 292.386 3.036 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2Cc3ccccc3OC3(CCC3)C2)C1 ZINC000887150122 637763342 /nfs/dbraw/zinc/76/33/42/637763342.db2.gz YBCRDNDHTOZZIX-GOEBONIOSA-N 0 3 282.387 3.496 20 30 CGEDHN C#CCSCCN[C@H](C)c1ccc(F)cc1Cl ZINC000222113201 637775462 /nfs/dbraw/zinc/77/54/62/637775462.db2.gz UORYKKWIYLOSLJ-SNVBAGLBSA-N 0 3 271.788 3.496 20 30 CGEDHN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)CC(C)(C)C#N ZINC000925084738 638449118 /nfs/dbraw/zinc/44/91/18/638449118.db2.gz WXPKFGSJBANNKE-BXUZGUMPSA-N 0 3 272.396 3.080 20 30 CGEDHN CC[C@@H]1COC[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000925601394 638540994 /nfs/dbraw/zinc/54/09/94/638540994.db2.gz LBMKQDKUEJZNSN-FVQBIDKESA-N 0 3 258.365 3.046 20 30 CGEDHN C=C(C)CN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014959 638620634 /nfs/dbraw/zinc/62/06/34/638620634.db2.gz UJQGUSZTPOMGKN-MRXNPFEDSA-N 0 3 272.392 3.378 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(CO)on1 ZINC000926592027 638789166 /nfs/dbraw/zinc/78/91/66/638789166.db2.gz QWSBSKAYDXTEBR-HIFRSBDPSA-N 0 3 286.375 3.005 20 30 CGEDHN C=CCCC(C)(C)CN[C@@H](C)c1nn(CC)nc1C ZINC000926780829 638810986 /nfs/dbraw/zinc/81/09/86/638810986.db2.gz IQJQURJLLAVGHC-LBPRGKRZSA-N 0 3 264.417 3.249 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1cc2c([nH]c1=O)CCCC2 ZINC000926815727 638815318 /nfs/dbraw/zinc/81/53/18/638815318.db2.gz IGLQIHUIUOEQFQ-GFCCVEGCSA-N 0 3 287.407 3.084 20 30 CGEDHN C[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1cc(C#N)ccn1 ZINC000927013722 638831561 /nfs/dbraw/zinc/83/15/61/638831561.db2.gz YHBCNDKIQWDYSS-HIFRSBDPSA-N 0 3 285.391 3.096 20 30 CGEDHN CCCC[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1[O-] ZINC000930352168 638992388 /nfs/dbraw/zinc/99/23/88/638992388.db2.gz UGIVNLFDTFSXDH-UHFFFAOYSA-N 0 3 295.386 3.461 20 30 CGEDHN CCCC[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1[O-] ZINC000930352168 638992390 /nfs/dbraw/zinc/99/23/90/638992390.db2.gz UGIVNLFDTFSXDH-UHFFFAOYSA-N 0 3 295.386 3.461 20 30 CGEDHN CCC#C[C@@H](C)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932041618 639255053 /nfs/dbraw/zinc/25/50/53/639255053.db2.gz GUNFIXUZTCEBSO-MRXNPFEDSA-N 0 3 299.414 3.232 20 30 CGEDHN C=CC[C@@H](C=C)OC(=O)c1cccc(CN(C)C)c1 ZINC000860928641 639469467 /nfs/dbraw/zinc/46/94/67/639469467.db2.gz JDYFSUCAWWFAFN-OAHLLOKOSA-N 0 3 259.349 3.036 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1cccs1 ZINC000934358409 639596079 /nfs/dbraw/zinc/59/60/79/639596079.db2.gz PBUFXZKKLIAHET-AWEZNQCLSA-N 0 3 294.464 3.241 20 30 CGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000934648403 639650750 /nfs/dbraw/zinc/65/07/50/639650750.db2.gz OAUKINYEHRNESQ-GFCCVEGCSA-N 0 3 295.814 3.350 20 30 CGEDHN C=C(C)c1cccc(NC(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000934886937 639703191 /nfs/dbraw/zinc/70/31/91/639703191.db2.gz NSDYIKKVOFGKQN-INIZCTEOSA-N 0 3 287.407 3.278 20 30 CGEDHN C=C(Br)CNC[C@@H]1CCOc2ccccc21 ZINC000159262469 640038066 /nfs/dbraw/zinc/03/80/66/640038066.db2.gz JRVDMVRQXPNETD-NSHDSACASA-N 0 3 282.181 3.051 20 30 CGEDHN C(#Cc1ccccc1)CNCc1cccc2cccnc21 ZINC000076330897 640192752 /nfs/dbraw/zinc/19/27/52/640192752.db2.gz YHWLYLOMXPQMTI-UHFFFAOYSA-N 0 3 272.351 3.376 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001006435731 640211141 /nfs/dbraw/zinc/21/11/41/640211141.db2.gz QTQWUQGGJXGLQU-SFHVURJKSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(N2CCCCC2)cc1 ZINC000191757454 640329678 /nfs/dbraw/zinc/32/96/78/640329678.db2.gz GNIXFNRALXNRHQ-UHFFFAOYSA-N 0 3 288.435 3.311 20 30 CGEDHN C#CCCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974445 640728242 /nfs/dbraw/zinc/72/82/42/640728242.db2.gz KGCMGRAEBYEFOB-UHFFFAOYSA-N 0 3 295.382 3.426 20 30 CGEDHN C#CCCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974445 640728244 /nfs/dbraw/zinc/72/82/44/640728244.db2.gz KGCMGRAEBYEFOB-UHFFFAOYSA-N 0 3 295.382 3.426 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001007118527 640939165 /nfs/dbraw/zinc/93/91/65/640939165.db2.gz BVMAJFPFDRHVFK-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001009308037 640957749 /nfs/dbraw/zinc/95/77/49/640957749.db2.gz JSKVGBNAIWJIBK-CYBMUJFWSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001016361526 640996600 /nfs/dbraw/zinc/99/66/00/640996600.db2.gz FNVLUIHOALQTLT-CYBMUJFWSA-N 0 3 292.448 3.252 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001016369715 640996777 /nfs/dbraw/zinc/99/67/77/640996777.db2.gz VTQCFWPSYHVOTL-CQSZACIVSA-N 0 3 298.386 3.121 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001016369714 640997128 /nfs/dbraw/zinc/99/71/28/640997128.db2.gz VTQCFWPSYHVOTL-AWEZNQCLSA-N 0 3 298.386 3.121 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1ccco1 ZINC001252119655 806005666 /nfs/dbraw/zinc/00/56/66/806005666.db2.gz CZOVPSJCJQVUEK-AWEZNQCLSA-N 0 3 253.386 3.481 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCN(CCC)CC1 ZINC001252130141 806015675 /nfs/dbraw/zinc/01/56/75/806015675.db2.gz LTWNZJYHIJCESV-QGZVFWFLSA-N 0 3 284.488 3.126 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCC(=O)C(C)(C)C ZINC001252135538 806022326 /nfs/dbraw/zinc/02/23/26/806022326.db2.gz DVWILUNUELRJQF-CQSZACIVSA-N 0 3 271.445 3.303 20 30 CGEDHN C=C[C@@](C)(O)CNc1ccnc(-c2ccccc2)c1 ZINC001252543505 806060950 /nfs/dbraw/zinc/06/09/50/806060950.db2.gz UCBNLABAXQMVPU-MRXNPFEDSA-N 0 3 254.333 3.098 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCC1(F)COC1 ZINC001252985992 806147285 /nfs/dbraw/zinc/14/72/85/806147285.db2.gz JTAVLABYIGXHLN-HNNXBMFYSA-N 0 3 289.435 3.206 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1CCC[C@@H]1CF ZINC001253242198 806193033 /nfs/dbraw/zinc/19/30/33/806193033.db2.gz IGRKJALBXVCCEU-HUUCEWRRSA-N 0 3 257.393 3.308 20 30 CGEDHN CCCCCCCCCCN(C)C(=O)C1(N)CC(F)C1 ZINC001161227146 806359609 /nfs/dbraw/zinc/35/96/09/806359609.db2.gz OZEUNZWUWLESFS-UHFFFAOYSA-N 0 3 286.435 3.415 20 30 CGEDHN N#CC1(c2ccc(F)cc2)CCC(NCc2ccon2)CC1 ZINC001254346670 806382839 /nfs/dbraw/zinc/38/28/39/806382839.db2.gz TUEIOCIXBUCUMM-UHFFFAOYSA-N 0 3 299.349 3.307 20 30 CGEDHN Cc1ccc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)o1 ZINC001161769286 806449862 /nfs/dbraw/zinc/44/98/62/806449862.db2.gz XWGDWMBXLKTAMF-YBFXNURJSA-N 0 3 282.347 3.293 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC001254646070 806469905 /nfs/dbraw/zinc/46/99/05/806469905.db2.gz JZJWHNGXQJTCPW-ZLKJLUDKSA-N 0 3 298.308 3.021 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CCO)c2cccc(Cl)c2)C1 ZINC001254644321 806470023 /nfs/dbraw/zinc/47/00/23/806470023.db2.gz RHHHSECZJYHKTK-UGFHNGPFSA-N 0 3 278.783 3.045 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](N[C@H]1CC[C@H](C#N)C1)CCO2 ZINC001254654786 806476471 /nfs/dbraw/zinc/47/64/71/806476471.db2.gz AGWHDRFODMYQDA-YDHLFZDLSA-N 0 3 256.349 3.101 20 30 CGEDHN COc1ccc(C2=CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254676991 806484672 /nfs/dbraw/zinc/48/46/72/806484672.db2.gz PJRWRSBVWMNTPK-RHSMWYFYSA-N 0 3 282.387 3.477 20 30 CGEDHN CC[C@@H](CC#N)NCC1(COC)CCC(F)(F)CC1 ZINC001255162780 806561850 /nfs/dbraw/zinc/56/18/50/806561850.db2.gz YVQCLBCJKDYMMI-LBPRGKRZSA-N 0 3 274.355 3.110 20 30 CGEDHN CN(C)/C=N/c1ccc(N[C@@H]2CCCC[C@H]2F)cc1C#N ZINC001162513315 806600517 /nfs/dbraw/zinc/60/05/17/806600517.db2.gz XPWUFNQVDBBCPU-LXMKPWBVSA-N 0 3 288.370 3.472 20 30 CGEDHN Cc1cnccc1CNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001162723272 806653903 /nfs/dbraw/zinc/65/39/03/806653903.db2.gz BAQIKMDAFIETJZ-CIAFOILYSA-N 0 3 293.374 3.095 20 30 CGEDHN C[C@@H](N)c1nc2ccccc2n1-c1cccc(F)c1CC#N ZINC001162778346 806663324 /nfs/dbraw/zinc/66/33/24/806663324.db2.gz JNPQQGUOASQCMV-LLVKDONJSA-N 0 3 294.333 3.250 20 30 CGEDHN Cc1ccccc1CNCc1ccc(OCC#N)cc1 ZINC000037486717 798867877 /nfs/dbraw/zinc/86/78/77/798867877.db2.gz GBXQWEMZYUHSJU-UHFFFAOYSA-N 0 3 266.344 3.187 20 30 CGEDHN C=CCOc1ccc(CN2CCC(n3cccn3)CC2)cc1 ZINC000092617605 798959012 /nfs/dbraw/zinc/95/90/12/798959012.db2.gz SVUGTKYYHMZMLN-UHFFFAOYSA-N 0 3 297.402 3.285 20 30 CGEDHN N=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cn1 ZINC001255690162 806707370 /nfs/dbraw/zinc/70/73/70/806707370.db2.gz SAOXFRGEHLBRBO-PSASIEDQSA-N 0 3 289.276 3.047 20 30 CGEDHN CCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127465866 799014140 /nfs/dbraw/zinc/01/41/40/799014140.db2.gz PYROGPGZMLIFQQ-AWEZNQCLSA-N 0 3 272.348 3.223 20 30 CGEDHN N#Cc1cnc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC001255698574 806709060 /nfs/dbraw/zinc/70/90/60/806709060.db2.gz YCYZRNIYZBBUIG-DTWKUNHWSA-N 0 3 289.326 3.225 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001163172556 806713368 /nfs/dbraw/zinc/71/33/68/806713368.db2.gz RLNKQURUUDGZKL-LSDHHAIUSA-N 0 3 298.858 3.051 20 30 CGEDHN C=C(C)CNc1nc2cccc(Br)c2[nH]1 ZINC001163378531 806754840 /nfs/dbraw/zinc/75/48/40/806754840.db2.gz MGMIQYCNNDACCG-UHFFFAOYSA-N 0 3 266.142 3.313 20 30 CGEDHN C=CCCSCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000696114700 799837853 /nfs/dbraw/zinc/83/78/53/799837853.db2.gz FZYYWPDRJRTHMC-ZDUSSCGKSA-N 0 3 263.406 3.278 20 30 CGEDHN CC1(C)CCC[C@@H](NCc2nc(C#N)cs2)CC1 ZINC000704921490 799944059 /nfs/dbraw/zinc/94/40/59/799944059.db2.gz BKZKGXYKMDPZFQ-LLVKDONJSA-N 0 3 263.410 3.463 20 30 CGEDHN CCN(CC)Cc1cc(OC)ccc1NC(C)=CC(C)=O ZINC001163741794 806814412 /nfs/dbraw/zinc/81/44/12/806814412.db2.gz GUDOKZOBKGJTET-RAXLEYEMSA-N 0 3 290.407 3.442 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2sccc2C)CC1 ZINC001005056252 800698337 /nfs/dbraw/zinc/69/83/37/800698337.db2.gz UFNFXMILCFKDIM-UHFFFAOYSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001023145336 800705527 /nfs/dbraw/zinc/70/55/27/800705527.db2.gz RLSMJZLERNPQHH-HZSPNIEDSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027843136 800821063 /nfs/dbraw/zinc/82/10/63/800821063.db2.gz PXILQKJDOVCWLW-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=Cc1ccc(C(=O)NC[C@@H]2CCCN2CC(=C)C)cc1 ZINC001028156126 800833333 /nfs/dbraw/zinc/83/33/33/800833333.db2.gz LKIRXEBHXKPOKN-KRWDZBQOSA-N 0 3 284.403 3.100 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(C)C ZINC001032434108 800927704 /nfs/dbraw/zinc/92/77/04/800927704.db2.gz ABFUMPSXQYTNBN-HOTGVXAUSA-N 0 3 298.430 3.285 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001033592765 800969325 /nfs/dbraw/zinc/96/93/25/800969325.db2.gz CWMDVPIKRYTIIF-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001033722749 800978422 /nfs/dbraw/zinc/97/84/22/800978422.db2.gz MDKZFEGWYUGPKG-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034083598 801003211 /nfs/dbraw/zinc/00/32/11/801003211.db2.gz SMZCUDFJGQVGTA-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cscc2C)C1 ZINC001034164411 801009469 /nfs/dbraw/zinc/00/94/69/801009469.db2.gz QYYJPJZJBHSUFX-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034350552 801019266 /nfs/dbraw/zinc/01/92/66/801019266.db2.gz IOWKHNINFZKWSX-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034518013 801029766 /nfs/dbraw/zinc/02/97/66/801029766.db2.gz FUEZMGUGUCXDCO-KRWDZBQOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001034543234 801032706 /nfs/dbraw/zinc/03/27/06/801032706.db2.gz FRRZFTPZMZSPMC-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccccc1C)CC2 ZINC001035637683 801058630 /nfs/dbraw/zinc/05/86/30/801058630.db2.gz BJZLHHAAYDWBHX-UHFFFAOYSA-N 0 3 298.430 3.109 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001038774888 801134028 /nfs/dbraw/zinc/13/40/28/801134028.db2.gz BQFZMXHQWCYLBD-GFCCVEGCSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001038942767 801138631 /nfs/dbraw/zinc/13/86/31/801138631.db2.gz OZCHHTPQBAKFHC-BRWVUGGUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001039329999 801157742 /nfs/dbraw/zinc/15/77/42/801157742.db2.gz OSXQOQFBCPWAKJ-CABCVRRESA-N 0 3 290.432 3.003 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001039475194 801163514 /nfs/dbraw/zinc/16/35/14/801163514.db2.gz IRIUISHDHGDWNH-UAGQMJEPSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@@H]21 ZINC001042344136 801205111 /nfs/dbraw/zinc/20/51/11/801205111.db2.gz SYSIINDOCUIGNI-WMZOPIPTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)c2cccc3ccccc32)C1 ZINC001046811161 801326442 /nfs/dbraw/zinc/32/64/42/801326442.db2.gz AMEJDNWRPNTINO-LJQANCHMSA-N 0 3 294.398 3.220 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1=CCCCCC1 ZINC001049446641 801374282 /nfs/dbraw/zinc/37/42/82/801374282.db2.gz YAWDXHSGCOVNBH-IAGOWNOFSA-N 0 3 288.435 3.128 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049743678 801387018 /nfs/dbraw/zinc/38/70/18/801387018.db2.gz RTQYXMPFLHMTLQ-IAGOWNOFSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071315462 801526942 /nfs/dbraw/zinc/52/69/42/801526942.db2.gz XWQHGPLTDKFAKM-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C2CCC2)CC[C@H]1C ZINC001071708143 801545031 /nfs/dbraw/zinc/54/50/31/801545031.db2.gz AQIWAUNXXJXAMT-GDBMZVCRSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)cc2)CC[C@H]1C ZINC001072011738 801558151 /nfs/dbraw/zinc/55/81/51/801558151.db2.gz BVNUTCFOELYXNF-WBVHZDCISA-N 0 3 286.419 3.154 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072112651 801565397 /nfs/dbraw/zinc/56/53/97/801565397.db2.gz DEWCFFNIXKCZPG-NEPJUHHUSA-N 0 3 296.411 3.046 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001080718810 801654762 /nfs/dbraw/zinc/65/47/62/801654762.db2.gz CXHNPQXBOSCCRY-RHSMWYFYSA-N 0 3 286.419 3.046 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2occc2CC)[C@H]1CC ZINC001087714460 801764340 /nfs/dbraw/zinc/76/43/40/801764340.db2.gz OCLWTQVAKYNRIJ-LSDHHAIUSA-N 0 3 290.407 3.001 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2=CCCC2)C1 ZINC001088294703 801781137 /nfs/dbraw/zinc/78/11/37/801781137.db2.gz FPBDMDHMGQHKNJ-HNNXBMFYSA-N 0 3 296.842 3.210 20 30 CGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccs1)C2 ZINC001096752686 801894443 /nfs/dbraw/zinc/89/44/43/801894443.db2.gz CAFGSBGCSVXPCT-MCIONIFRSA-N 0 3 290.432 3.049 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC(C)(C)C1)C2 ZINC001097701414 801903313 /nfs/dbraw/zinc/90/33/13/801903313.db2.gz FFHARDCQTWFMBP-OAGGEKHMSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC)cc1)C2 ZINC001098317203 801910631 /nfs/dbraw/zinc/91/06/31/801910631.db2.gz LWBHUFOOVPJBNF-KURKYZTESA-N 0 3 298.430 3.160 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1CCCC1 ZINC001098874119 801917880 /nfs/dbraw/zinc/91/78/80/801917880.db2.gz VZDUIYZAGGZICL-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/CC ZINC001098944009 801921803 /nfs/dbraw/zinc/92/18/03/801921803.db2.gz HEPHMQJZQJXQSX-NHXNDTTKSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C/C=C(/C)C=C ZINC001099181520 801932547 /nfs/dbraw/zinc/93/25/47/801932547.db2.gz AOKSGDGYIQWMLU-MVMZHWFQSA-N 0 3 290.451 3.302 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001099188003 801933050 /nfs/dbraw/zinc/93/30/50/801933050.db2.gz AYQDWGRPAXPODD-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109679344 802123743 /nfs/dbraw/zinc/12/37/43/802123743.db2.gz XEOVYZOSTZCVRV-CVYDXHPNSA-N 0 3 290.451 3.276 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC001113003097 802198036 /nfs/dbraw/zinc/19/80/36/802198036.db2.gz QLGBDXMJRBXHIT-SJORKVTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001113230256 802209369 /nfs/dbraw/zinc/20/93/69/802209369.db2.gz ZQGSIFBBWZXMJY-CABCVRRESA-N 0 3 280.456 3.025 20 30 CGEDHN CC(C)(C)N1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001116650765 802391109 /nfs/dbraw/zinc/39/11/09/802391109.db2.gz DRNHNEYTHZOIAK-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN CN(CCc1ccccn1)Cc1cc(Cl)cc(C#N)c1 ZINC001119772315 802698520 /nfs/dbraw/zinc/69/85/20/802698520.db2.gz ZNCYIBBQRQTELH-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC001121866560 802848160 /nfs/dbraw/zinc/84/81/60/802848160.db2.gz BGCIXZGZKUAUOY-DOMZBBRYSA-N 0 3 276.380 3.016 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001122099157 802859721 /nfs/dbraw/zinc/85/97/21/802859721.db2.gz FIXMITUREMHXBJ-BRWVUGGUSA-N 0 3 286.419 3.123 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001122609905 802876645 /nfs/dbraw/zinc/87/66/45/802876645.db2.gz OUQCVADXGRENNM-GBJTYRQASA-N 0 3 285.391 3.203 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2cccc(F)n2)c(C2CC2)n1 ZINC001122730022 802883951 /nfs/dbraw/zinc/88/39/51/802883951.db2.gz KSUUYNVMWAVSIK-CYBMUJFWSA-N 0 3 295.317 3.292 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C(CC)(CC)CC ZINC001123236986 802920616 /nfs/dbraw/zinc/92/06/16/802920616.db2.gz LVFICISYKWNGIO-GFCCVEGCSA-N 0 3 261.369 3.296 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CC1CCCC1 ZINC001123338119 802930812 /nfs/dbraw/zinc/93/08/12/802930812.db2.gz VITFLMLGVGSKBU-TZMCWYRMSA-N 0 3 273.380 3.296 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@H]1C ZINC001131912083 803358015 /nfs/dbraw/zinc/35/80/15/803358015.db2.gz RQSRCHZDLKOZFF-SXKCSBRWSA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132056987 803370401 /nfs/dbraw/zinc/37/04/01/803370401.db2.gz ICPBBETWFUZVGF-RDJZCZTQSA-N 0 3 290.451 3.300 20 30 CGEDHN C#CCCN1C[C@@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132256359 803388299 /nfs/dbraw/zinc/38/82/99/803388299.db2.gz MQAASRRMUKNBFS-WBVHZDCISA-N 0 3 292.467 3.195 20 30 CGEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001132569634 803414027 /nfs/dbraw/zinc/41/40/27/803414027.db2.gz VPMGCNOJPGFHSN-CHWSQXEVSA-N 0 3 294.826 3.004 20 30 CGEDHN C[NH2+]Cc1cccc(-c2ccc3c(c2)CC/C3=N/[O-])c1F ZINC001244861674 803552850 /nfs/dbraw/zinc/55/28/50/803552850.db2.gz GRPSIUDRSRBQPD-SILNSSARSA-N 0 3 284.334 3.337 20 30 CGEDHN C[NH2+]Cc1cccc(-c2ccc(/C(C)=N/[O-])cc2)c1F ZINC001244866050 803556184 /nfs/dbraw/zinc/55/61/84/803556184.db2.gz XLKQMQNNKSPIMM-YBFXNURJSA-N 0 3 272.323 3.410 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC001138624281 803983033 /nfs/dbraw/zinc/98/30/33/803983033.db2.gz AYTHTAUTDYNEJQ-DOTOQJQBSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC001138624281 803983039 /nfs/dbraw/zinc/98/30/39/803983039.db2.gz AYTHTAUTDYNEJQ-DOTOQJQBSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1[O-] ZINC001138625437 803983781 /nfs/dbraw/zinc/98/37/81/803983781.db2.gz KXFBYLSNVNTLIY-PBHICJAKSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c1[O-] ZINC001138625437 803983785 /nfs/dbraw/zinc/98/37/85/803983785.db2.gz KXFBYLSNVNTLIY-PBHICJAKSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC3(CCC3)C2)c1[O-] ZINC001138627604 803985136 /nfs/dbraw/zinc/98/51/36/803985136.db2.gz BTCVQXUMXCPXOC-UHFFFAOYSA-N 0 3 257.377 3.497 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC3(CCC3)C2)c1[O-] ZINC001138627604 803985140 /nfs/dbraw/zinc/98/51/40/803985140.db2.gz BTCVQXUMXCPXOC-UHFFFAOYSA-N 0 3 257.377 3.497 20 30 CGEDHN C=CCc1cccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1[O-] ZINC001138629831 803986272 /nfs/dbraw/zinc/98/62/72/803986272.db2.gz IHOOXCPBXNMKPQ-CQSZACIVSA-N 0 3 293.407 3.150 20 30 CGEDHN C=CCc1cccc(CN2CC3(C2)C[C@@H](F)CS3)c1O ZINC001138629831 803986277 /nfs/dbraw/zinc/98/62/77/803986277.db2.gz IHOOXCPBXNMKPQ-CQSZACIVSA-N 0 3 293.407 3.150 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@H](C(C)=O)C1 ZINC001138666413 803999971 /nfs/dbraw/zinc/99/99/71/803999971.db2.gz RNATYKSHQKTHEX-HNNXBMFYSA-N 0 3 273.376 3.052 20 30 CGEDHN C=CCN(Cc1cccnc1NC)C1CCCCC1 ZINC001138695086 804008324 /nfs/dbraw/zinc/00/83/24/804008324.db2.gz WCZYZEIKFOFBOY-UHFFFAOYSA-N 0 3 259.397 3.444 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(OC)n1)C1CCCCC1 ZINC001139107695 804128049 /nfs/dbraw/zinc/12/80/49/804128049.db2.gz GORQUMJJLNGDCR-UHFFFAOYSA-N 0 3 290.407 3.420 20 30 CGEDHN Cc1cccc2[nH]cc(CN3CCC4SC(=O)C=C4C3)c21 ZINC001139196124 804157555 /nfs/dbraw/zinc/15/75/55/804157555.db2.gz ZXIYNBJNTFMRMJ-OAHLLOKOSA-N 0 3 298.411 3.250 20 30 CGEDHN C=CCCCCN(C)Cc1cc(Br)cnc1N ZINC001139451763 804190496 /nfs/dbraw/zinc/19/04/96/804190496.db2.gz NHEHJEUGYFSRNQ-UHFFFAOYSA-N 0 3 298.228 3.214 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001139646290 804242155 /nfs/dbraw/zinc/24/21/55/804242155.db2.gz NPWADCICENCQTQ-ZIAGYGMSSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@H]1C[C@@H](CF)N(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701707 804258341 /nfs/dbraw/zinc/25/83/41/804258341.db2.gz OFAAFJCCOMGPDS-FZMZJTMJSA-N 0 3 271.339 3.219 20 30 CGEDHN CCCO[C@H]1CCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139702829 804258532 /nfs/dbraw/zinc/25/85/32/804258532.db2.gz BGDUTRUCEVDXAI-HNNXBMFYSA-N 0 3 283.375 3.040 20 30 CGEDHN CCCCCCCC[C@H](CC)N[C@H]1CNCCC1=O ZINC001246293924 804261880 /nfs/dbraw/zinc/26/18/80/804261880.db2.gz PYFMRVOYHPIBCS-GJZGRUSLSA-N 0 3 268.445 3.036 20 30 CGEDHN CCCCCCCC[C@@H](CCC)N[C@H]1CNCCC1=O ZINC001246292988 804261949 /nfs/dbraw/zinc/26/19/49/804261949.db2.gz OMAZFAHUZZZZRA-CVEARBPZSA-N 0 3 282.472 3.426 20 30 CGEDHN CCCCCN1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139723917 804266903 /nfs/dbraw/zinc/26/69/03/804266903.db2.gz JHMDEMNCGAOQGN-UHFFFAOYSA-N 0 3 285.435 3.175 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCCC[C@H]1CC ZINC001139869592 804303200 /nfs/dbraw/zinc/30/32/00/804303200.db2.gz MLKIGXNUILVQFR-CVEARBPZSA-N 0 3 280.456 3.169 20 30 CGEDHN CN(Cc1cc(F)cc(C#N)c1)Cc1ccccc1O ZINC001139875948 804308349 /nfs/dbraw/zinc/30/83/49/804308349.db2.gz INEFQUIPFOXFBI-UHFFFAOYSA-N 0 3 270.307 3.035 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC4(CCC4)C3)c2c1 ZINC001140110599 804378823 /nfs/dbraw/zinc/37/88/23/804378823.db2.gz NRELMGYWNFPDLS-UHFFFAOYSA-N 0 3 251.333 3.025 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140490641 804446942 /nfs/dbraw/zinc/44/69/42/804446942.db2.gz XNEZIEPRUNAFHJ-UHFFFAOYSA-N 0 3 261.365 3.102 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC001140546016 804457573 /nfs/dbraw/zinc/45/75/73/804457573.db2.gz SVFGKUJXTJEAMM-OAHLLOKOSA-N 0 3 281.334 3.082 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C#N)CC2)c(C)c1 ZINC001140676577 804487131 /nfs/dbraw/zinc/48/71/31/804487131.db2.gz AIMBDQQXGVOIIC-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN OC[C@@H]1CCCN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972363 804683175 /nfs/dbraw/zinc/68/31/75/804683175.db2.gz IKJJEAJAXGPULI-INIZCTEOSA-N 0 3 297.423 3.105 20 30 CGEDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141973081 804683369 /nfs/dbraw/zinc/68/33/69/804683369.db2.gz XZECIWAYYRWSLP-GDBMZVCRSA-N 0 3 297.423 3.103 20 30 CGEDHN CCN(Cc1c[nH]c2cc(C#N)ccc12)Cc1cccnc1 ZINC001142921417 804784850 /nfs/dbraw/zinc/78/48/50/804784850.db2.gz LZSOFBIZJAUIPC-UHFFFAOYSA-N 0 3 290.370 3.457 20 30 CGEDHN CCc1cccc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001144318655 804973824 /nfs/dbraw/zinc/97/38/24/804973824.db2.gz HMTABJXXSGKEHE-OAHLLOKOSA-N 0 3 273.401 3.023 20 30 CGEDHN CCc1cccc(CN2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001144318655 804973829 /nfs/dbraw/zinc/97/38/29/804973829.db2.gz HMTABJXXSGKEHE-OAHLLOKOSA-N 0 3 273.401 3.023 20 30 CGEDHN CCc1cc(C#N)ccc1CN(C)C[C@H]1CCCCO1 ZINC001248751483 804983788 /nfs/dbraw/zinc/98/37/88/804983788.db2.gz XZGFKXOCARVLNZ-QGZVFWFLSA-N 0 3 272.392 3.122 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001144578803 805009484 /nfs/dbraw/zinc/00/94/84/805009484.db2.gz QKSCYSYKMHKLSH-KRWDZBQOSA-N 0 3 299.414 3.222 20 30 CGEDHN Cc1cc(C#N)ccc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249554807 805176317 /nfs/dbraw/zinc/17/63/17/805176317.db2.gz FBIRUOCAPCRIDC-KRWDZBQOSA-N 0 3 297.402 3.047 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001249681577 805209339 /nfs/dbraw/zinc/20/93/39/805209339.db2.gz WWESHDYZPNJFIU-TZMCWYRMSA-N 0 3 258.340 3.319 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCC[C@@H](C)CCC ZINC001153566691 805403317 /nfs/dbraw/zinc/40/33/17/805403317.db2.gz JPZVYBQYEIGABO-JKSUJKDBSA-N 0 3 280.456 3.053 20 30 CGEDHN C[C@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)CCC1=O ZINC001257017525 807028020 /nfs/dbraw/zinc/02/80/20/807028020.db2.gz VSWJRTQWPCWVHT-NNGSBXSVSA-N 0 3 296.414 3.495 20 30 CGEDHN CCCCOC(=O)CC[C@@H](C)NCc1csc(C#N)c1 ZINC001257389088 807136244 /nfs/dbraw/zinc/13/62/44/807136244.db2.gz WSMQKGJWQDLOOJ-GFCCVEGCSA-N 0 3 294.420 3.221 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)CCC2(C)CC2)CC1 ZINC001167601255 807211709 /nfs/dbraw/zinc/21/17/09/807211709.db2.gz RKJALNKVSNHOEB-UHFFFAOYSA-N 0 3 298.858 3.195 20 30 CGEDHN CCCCCCC[C@H](C)NC1(CC(=O)OCC)COC1 ZINC001258038600 807269906 /nfs/dbraw/zinc/26/99/06/807269906.db2.gz AFHDWEFCVNYXBR-AWEZNQCLSA-N 0 3 285.428 3.047 20 30 CGEDHN C[C@@H](Cc1ccco1)NC(=N)c1ccc2ccccc2n1 ZINC001258179394 807342944 /nfs/dbraw/zinc/34/29/44/807342944.db2.gz QMWYQRLVPMKSBV-LBPRGKRZSA-N 0 3 279.343 3.164 20 30 CGEDHN N#C[C@H]1CCCN([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734686 807498752 /nfs/dbraw/zinc/49/87/52/807498752.db2.gz KGHPOQFOAJKDRJ-JSGCOSHPSA-N 0 3 274.795 3.433 20 30 CGEDHN C=CCC[C@@H](C)NCC(=O)c1ccc(Cl)cc1 ZINC001258717844 807567431 /nfs/dbraw/zinc/56/74/31/807567431.db2.gz WDEFBMONLHVRSY-LLVKDONJSA-N 0 3 251.757 3.467 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001258735575 807580733 /nfs/dbraw/zinc/58/07/33/807580733.db2.gz WULLFVKIBWLBKQ-CYBMUJFWSA-N 0 3 279.815 3.212 20 30 CGEDHN CCCC[C@@H](CCC)NC(=N)c1ccc(F)cn1 ZINC001258755402 807595544 /nfs/dbraw/zinc/59/55/44/807595544.db2.gz NBXOVKNBUPSHLM-GFCCVEGCSA-N 0 3 251.349 3.285 20 30 CGEDHN CC(C)[C@@H](C#N)c1ccc(-n2ccc([C@@H](C)N)n2)cc1 ZINC001169232378 807609435 /nfs/dbraw/zinc/60/94/35/807609435.db2.gz DVQQMPNVGHPILP-IUODEOHRSA-N 0 3 268.364 3.155 20 30 CGEDHN C#CCN(Cc1ccc(OC)c(OC2CC2)c1)CC1CC1 ZINC001261828915 807791145 /nfs/dbraw/zinc/79/11/45/807791145.db2.gz YGGVTPPZIIGLED-UHFFFAOYSA-N 0 3 285.387 3.082 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC001263087515 807931588 /nfs/dbraw/zinc/93/15/88/807931588.db2.gz JEALDCFIXCTBGF-CQSZACIVSA-N 0 3 292.810 3.129 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C(C)(C)CC(C)(C)C ZINC001263332464 807947986 /nfs/dbraw/zinc/94/79/86/807947986.db2.gz QDPYBXHDPUXSGI-LLVKDONJSA-N 0 3 261.369 3.059 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171024620 807962699 /nfs/dbraw/zinc/96/26/99/807962699.db2.gz KRTNTKNCGAPIBY-GFCCVEGCSA-N 0 3 260.768 3.091 20 30 CGEDHN N#CCC1CN([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171116820 807990224 /nfs/dbraw/zinc/99/02/24/807990224.db2.gz SZCDQPAXRGRPHY-HNNXBMFYSA-N 0 3 260.768 3.043 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(C)C(C)(C)C1(C)C ZINC001263823472 808008692 /nfs/dbraw/zinc/00/86/92/808008692.db2.gz OHOVPWWFIQRGSF-AWEZNQCLSA-N 0 3 292.467 3.168 20 30 CGEDHN N#CCC1(N[C@@H]2CCc3c(F)cccc3C2)CCCC1 ZINC001171417824 808051512 /nfs/dbraw/zinc/05/15/12/808051512.db2.gz FPCVXHULWVMQCE-CQSZACIVSA-N 0 3 272.367 3.499 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CCC(=C)C)CCC1 ZINC001264371732 808063054 /nfs/dbraw/zinc/06/30/54/808063054.db2.gz ZQPLRTARQOUUGN-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001264737389 808089843 /nfs/dbraw/zinc/08/98/43/808089843.db2.gz ARSPKKSBTCACQY-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)C[C@@H](C)CCC)CC(C)(C)C1 ZINC001264749551 808092267 /nfs/dbraw/zinc/09/22/67/808092267.db2.gz FYZFYGDLQNLUPM-HOTGVXAUSA-N 0 3 292.467 3.053 20 30 CGEDHN CCC[C@](C)(C#N)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171738534 808128669 /nfs/dbraw/zinc/12/86/69/808128669.db2.gz KGZPLEAESOEPEA-BPQIPLTHSA-N 0 3 285.435 3.321 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001265327293 808131352 /nfs/dbraw/zinc/13/13/52/808131352.db2.gz FEVZBCSALCVUMM-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C(C)(C)C1CCC1 ZINC001266163670 808221542 /nfs/dbraw/zinc/22/15/42/808221542.db2.gz MVPPTJWRNDBTGW-GFCCVEGCSA-N 0 3 286.847 3.050 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H](C)c1nccs1 ZINC001172302908 808221861 /nfs/dbraw/zinc/22/18/61/808221861.db2.gz SFYYXJXIRSCMOZ-NEPJUHHUSA-N 0 3 271.389 3.297 20 30 CGEDHN C=C(C)CCC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001266278841 808237204 /nfs/dbraw/zinc/23/72/04/808237204.db2.gz TXYFXYYDAPBRKO-UHFFFAOYSA-N 0 3 288.435 3.208 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001266362061 808249683 /nfs/dbraw/zinc/24/96/83/808249683.db2.gz XMEKKKFLUVWCSI-HZPDHXFCSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001266837183 808322436 /nfs/dbraw/zinc/32/24/36/808322436.db2.gz KOECSFOPFXHYJA-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C)c2ccccc12 ZINC001267218662 808384814 /nfs/dbraw/zinc/38/48/14/808384814.db2.gz CZTDOHFBHGMFFH-UHFFFAOYSA-N 0 3 296.414 3.386 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001267428714 808424773 /nfs/dbraw/zinc/42/47/73/808424773.db2.gz ZDMALOJFDZQLLM-SOUVJXGZSA-N 0 3 296.430 3.012 20 30 CGEDHN Cc1ccc2c(c1)C[C@@H](NCC1(C#N)CCC1)CC2 ZINC001172824014 808446966 /nfs/dbraw/zinc/44/69/66/808446966.db2.gz OVRLINWQUUXFPM-INIZCTEOSA-N 0 3 254.377 3.136 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001267619542 808458370 /nfs/dbraw/zinc/45/83/70/808458370.db2.gz RPCBYOGBHZJSHG-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001267735171 808481371 /nfs/dbraw/zinc/48/13/71/808481371.db2.gz MWYMQWWVMBRHGN-NEPJUHHUSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H]2C=CCC2)CCCC1 ZINC001268031763 808528692 /nfs/dbraw/zinc/52/86/92/808528692.db2.gz ADZJXCQQIQRHTO-CQSZACIVSA-N 0 3 296.842 3.114 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H](CNCCF)C1CCCCC1 ZINC001268118489 808545182 /nfs/dbraw/zinc/54/51/82/808545182.db2.gz CNBPSHLGIGPJEG-OAHLLOKOSA-N 0 3 298.446 3.213 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1CCC=CCC1)C(C)C ZINC001268226466 808562375 /nfs/dbraw/zinc/56/23/75/808562375.db2.gz ACMYQEYNXOOTLR-HNNXBMFYSA-N 0 3 298.858 3.216 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1C ZINC001268969841 808639126 /nfs/dbraw/zinc/63/91/26/808639126.db2.gz MIJATRUUGPIXIM-IRXDYDNUSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C[C@@H](C(=O)N[C@H]1CCN(CC=C(C)C)C1)c1ccccc1 ZINC001269091892 808647833 /nfs/dbraw/zinc/64/78/33/808647833.db2.gz BNXXXIUHBLAGRA-ZWKOTPCHSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC001269293082 808665246 /nfs/dbraw/zinc/66/52/46/808665246.db2.gz UYTLTFIYHDCRKN-JGZYNSJSSA-N 0 3 298.430 3.247 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001269317978 808669886 /nfs/dbraw/zinc/66/98/86/808669886.db2.gz IMMOMMAYBOTMCC-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCCCC(C)C)C1 ZINC001269348892 808673161 /nfs/dbraw/zinc/67/31/61/808673161.db2.gz OPGYNTIJDKWLPZ-QGZVFWFLSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC ZINC001269663347 808696181 /nfs/dbraw/zinc/69/61/81/808696181.db2.gz AXUBXRPUPYVKSW-GASCZTMLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCCN1CCCC[C@]12CC(=O)N(CC(C)C)C2 ZINC001273491816 808848198 /nfs/dbraw/zinc/84/81/98/808848198.db2.gz KVTXWEIMAVIGMW-QGZVFWFLSA-N 0 3 278.440 3.066 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)CCC1CCCCC1 ZINC001273584805 808856534 /nfs/dbraw/zinc/85/65/34/808856534.db2.gz XSSDIGRJRAGZME-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001276195250 808993243 /nfs/dbraw/zinc/99/32/43/808993243.db2.gz IAIMLTPUBYFGFD-OCCSQVGLSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001276833822 809034772 /nfs/dbraw/zinc/03/47/72/809034772.db2.gz GOZHEINWIOXJSP-DZGCQCFKSA-N 0 3 294.414 3.329 20 30 CGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001278693327 809153010 /nfs/dbraw/zinc/15/30/10/809153010.db2.gz IJNUOKCJMYTHAI-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC001279644125 809177385 /nfs/dbraw/zinc/17/73/85/809177385.db2.gz NEIXMRASJCIMKZ-MRXNPFEDSA-N 0 3 298.430 3.033 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H](C)CC ZINC001280315009 809184484 /nfs/dbraw/zinc/18/44/84/809184484.db2.gz HJLHDDNXCKMVCJ-HNNXBMFYSA-N 0 3 288.435 3.357 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](CC)CCCCC)CC1 ZINC001280776816 809198936 /nfs/dbraw/zinc/19/89/36/809198936.db2.gz LZKVLQTZFCLENP-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCCCCN1CC=C ZINC001282668457 809259637 /nfs/dbraw/zinc/25/96/37/809259637.db2.gz YSWWOZIPTQPFNQ-QGZVFWFLSA-N 0 3 290.451 3.302 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC001283191075 809272306 /nfs/dbraw/zinc/27/23/06/809272306.db2.gz HIJYLTNGRKETPZ-STQMWFEESA-N 0 3 288.863 3.296 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCC(C)(C)C2)CCCCC1 ZINC001289679541 809391132 /nfs/dbraw/zinc/39/11/32/809391132.db2.gz RYIZJOCNXBXXQQ-UHFFFAOYSA-N 0 3 292.467 3.361 20 30 CGEDHN C=CCSCC(=O)NCCP(C(C)C)C(C)C ZINC001180562456 810011305 /nfs/dbraw/zinc/01/13/05/810011305.db2.gz UGVHVDMZURNWIJ-UHFFFAOYSA-N 0 3 275.398 3.321 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC001182796622 810125201 /nfs/dbraw/zinc/12/52/01/810125201.db2.gz XDEIRENHJFBLTJ-AWEZNQCLSA-N 0 3 290.407 3.288 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)CCCCC)[C@@H]2C1 ZINC001189343036 810561207 /nfs/dbraw/zinc/56/12/07/810561207.db2.gz YMSSOWQYLOWBNR-YESZJQIVSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCN(CC#C)CCC1C2CC3CC(C2)CC1C3 ZINC001191155545 810683057 /nfs/dbraw/zinc/68/30/57/810683057.db2.gz HCRYINLOYAAEEA-UHFFFAOYSA-N 0 3 255.405 3.017 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001191590893 810726837 /nfs/dbraw/zinc/72/68/37/810726837.db2.gz HXYJXGWGUOXQNX-KKUMJFAQSA-N 0 3 294.439 3.023 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192977091 810837107 /nfs/dbraw/zinc/83/71/07/810837107.db2.gz HNYJYAXCLHLCSN-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001193630412 810922455 /nfs/dbraw/zinc/92/24/55/810922455.db2.gz JFWMTKCDUHXLOC-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN C#CCCN1CCCN(C(=O)CCC[C@H](C)CCC)CC1 ZINC001195989880 811308600 /nfs/dbraw/zinc/30/86/00/811308600.db2.gz GOUCLFUQAIFNHM-QGZVFWFLSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CCCC1(C(=O)N2CCCN(CC[C@H](C)F)CC2)CC1 ZINC001197062583 811395255 /nfs/dbraw/zinc/39/52/55/811395255.db2.gz UASCVJDNPBCGMG-HNNXBMFYSA-N 0 3 296.430 3.015 20 30 CGEDHN C#C[C@@H]1CCCCN1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001198523983 811511178 /nfs/dbraw/zinc/51/11/78/811511178.db2.gz BHYFPHKDUWMVGO-KZNAEPCWSA-N 0 3 269.388 3.394 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001202980581 812213299 /nfs/dbraw/zinc/21/32/99/812213299.db2.gz VNTRJDGUNLKUTP-KBPBESRZSA-N 0 3 296.842 3.112 20 30 CGEDHN CSc1ccc(CN2CCC(S)CC2)cc1 ZINC001204141917 812555599 /nfs/dbraw/zinc/55/55/99/812555599.db2.gz IULLBLIHESNQGF-UHFFFAOYSA-N 0 3 253.436 3.303 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](C(C)=O)C2)cc1 ZINC001204303204 812604741 /nfs/dbraw/zinc/60/47/41/812604741.db2.gz BWUBTHCZJOQSKT-MRXNPFEDSA-N 0 3 273.376 3.052 20 30 CGEDHN Cc1cccc(CN2CCC3SC(=O)C=C3C2)c1C ZINC001205066412 812845447 /nfs/dbraw/zinc/84/54/47/812845447.db2.gz BLJXBEZVZLPSCG-HNNXBMFYSA-N 0 3 273.401 3.078 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C)cc2F)no1 ZINC001206094260 813198760 /nfs/dbraw/zinc/19/87/60/813198760.db2.gz COJCJTSRDYQKAX-UHFFFAOYSA-N 0 3 287.338 3.293 20 30 CGEDHN C#Cc1ccc(CN2CC(Cc3ccc(F)cc3)C2)cc1 ZINC001206180216 813228868 /nfs/dbraw/zinc/22/88/68/813228868.db2.gz IIZRRXMNXXXAMO-UHFFFAOYSA-N 0 3 279.358 3.482 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1C ZINC001206491056 813335091 /nfs/dbraw/zinc/33/50/91/813335091.db2.gz XSCAAMQUWVDXLP-VTGMHELGSA-N 0 3 298.430 3.103 20 30 CGEDHN C[C@@H](NCC1(C#N)CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC001207773804 813648415 /nfs/dbraw/zinc/64/84/15/813648415.db2.gz HIDKCVBJCBZPTB-HZSPNIEDSA-N 0 3 290.432 3.150 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@@H](Oc3ncccn3)C2)CC1 ZINC001208179176 813730790 /nfs/dbraw/zinc/73/07/90/813730790.db2.gz PYEUNHFZIILHFL-IAGOWNOFSA-N 0 3 299.418 3.232 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001208575677 813767544 /nfs/dbraw/zinc/76/75/44/813767544.db2.gz SUMGTVUXWVDZFZ-JAYNKOPWSA-N 0 3 298.430 3.103 20 30 CGEDHN C=CCOC[C@H]1CCC[C@@]12CN(CC/C=C\CC)CCO2 ZINC001208728268 813818016 /nfs/dbraw/zinc/81/80/16/813818016.db2.gz PCSBGJLWVCPMKB-OSFIAYCASA-N 0 3 293.451 3.416 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001208827173 813857597 /nfs/dbraw/zinc/85/75/97/813857597.db2.gz GUDFAGKFGPCRTC-GVDBMIGSSA-N 0 3 292.467 3.382 20 30 CGEDHN N#Cc1ccc(CCCN2CCOc3ccccc3C2)cc1 ZINC001208858242 813870018 /nfs/dbraw/zinc/87/00/18/813870018.db2.gz JOCAWHNOVJGNSE-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN C=CCCCN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001209160061 813952316 /nfs/dbraw/zinc/95/23/16/813952316.db2.gz BCLIAGXVLHISJE-UHFFFAOYSA-N 0 3 282.428 3.284 20 30 CGEDHN C=CCCCCN1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001209203651 813966213 /nfs/dbraw/zinc/96/62/13/813966213.db2.gz RPHRDBFAMMAQDN-INIZCTEOSA-N 0 3 291.439 3.195 20 30 CGEDHN C=CCCCCN1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001209208738 813970147 /nfs/dbraw/zinc/97/01/47/813970147.db2.gz YYKGWTOYCKBCRU-UHFFFAOYSA-N 0 3 282.428 3.189 20 30 CGEDHN C=CCCCCCN1CC(N2CCC(F)(F)CC2)C1 ZINC001209428490 814029432 /nfs/dbraw/zinc/02/94/32/814029432.db2.gz HJOPQNMNFYJPPL-UHFFFAOYSA-N 0 3 272.383 3.148 20 30 CGEDHN C=C1CCC(C(=O)N2CCC[C@H](NC[C@H](F)CC)C2)CC1 ZINC001209465501 814050304 /nfs/dbraw/zinc/05/03/04/814050304.db2.gz RDTMFXKBHBDINW-CVEARBPZSA-N 0 3 296.430 3.062 20 30 CGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001209657786 814107866 /nfs/dbraw/zinc/10/78/66/814107866.db2.gz VSRVAZZNLLHSGC-BRWVUGGUSA-N 0 3 292.467 3.053 20 30 CGEDHN CC1(C#N)CCN(Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209694804 814115286 /nfs/dbraw/zinc/11/52/86/814115286.db2.gz WOZIPMYMMGVSQW-UHFFFAOYSA-N 0 3 271.339 3.433 20 30 CGEDHN Cc1cc(Nc2ccnc(C3CC3)c2)cnc1C#N ZINC001210202812 814338123 /nfs/dbraw/zinc/33/81/23/814338123.db2.gz SEMSHVFVCHZWOT-UHFFFAOYSA-N 0 3 250.305 3.278 20 30 CGEDHN CC[C@H](C#Cc1ccccc1)Oc1cccc2c1CNC2 ZINC001218439775 816213356 /nfs/dbraw/zinc/21/33/56/816213356.db2.gz VKVUYPHXTLKKPT-QGZVFWFLSA-N 0 3 277.367 3.499 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N[C@H](C)C[C@H](C)CC ZINC001220240409 816285286 /nfs/dbraw/zinc/28/52/86/816285286.db2.gz KSXBZEHBYIRBBV-KFWWJZLASA-N 0 3 268.445 3.391 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NCc1c(C)cccc1C ZINC001220347377 816289555 /nfs/dbraw/zinc/28/95/55/816289555.db2.gz DIOXMVQJFSOCNH-KRWDZBQOSA-N 0 3 288.435 3.383 20 30 CGEDHN C=CC[C@@H](NC(=O)[C@@H](N)CC1CCCC1)c1ccccc1 ZINC001221360899 816311918 /nfs/dbraw/zinc/31/19/18/816311918.db2.gz PJBSLBPQDTYMDM-DLBZAZTESA-N 0 3 286.419 3.328 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221583549 816321020 /nfs/dbraw/zinc/32/10/20/816321020.db2.gz PDGMPUVEKSRCLI-QZTJIDSGSA-N 0 3 298.430 3.076 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](CC)CC(C)C)[C@@H]2C1 ZINC001221929199 816334577 /nfs/dbraw/zinc/33/45/77/816334577.db2.gz WDJCQGDDACYNDZ-GVDBMIGSSA-N 0 3 292.467 3.168 20 30 CGEDHN Cc1cc(C#N)cc(C)c1-c1cccc(CN(C)C)n1 ZINC001222649036 816490085 /nfs/dbraw/zinc/49/00/85/816490085.db2.gz WACMSIBKQACRDY-UHFFFAOYSA-N 0 3 265.360 3.299 20 30 CGEDHN CN1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226999387 817530430 /nfs/dbraw/zinc/53/04/30/817530430.db2.gz OBLRCFBEUPRQNG-GFCCVEGCSA-N 0 3 284.281 3.050 20 30 CGEDHN C=CCN1CCC(NC(=O)CCC[C@@H](C)CCC)CC1 ZINC001227562625 817673204 /nfs/dbraw/zinc/67/32/04/817673204.db2.gz VHYSWQJJPSBDGP-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(CCC)CC1 ZINC001228467139 817914541 /nfs/dbraw/zinc/91/45/41/817914541.db2.gz BSMJAJZZKSYJRQ-ZIAGYGMSSA-N 0 3 298.858 3.336 20 30 CGEDHN N#Cc1ccc2ccc(OC3CCN(C4CC4)CC3)nc2c1 ZINC001231369964 818087628 /nfs/dbraw/zinc/08/76/28/818087628.db2.gz GLXFAKVCCYGXJY-UHFFFAOYSA-N 0 3 293.370 3.112 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001231659926 818151889 /nfs/dbraw/zinc/15/18/89/818151889.db2.gz XAKUFCAIUAMUAR-HXUWFJFHSA-N 0 3 291.394 3.459 20 30 CGEDHN CN(CCCc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232481107 818365431 /nfs/dbraw/zinc/36/54/31/818365431.db2.gz UWHMLSQSRMOQMI-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN Cc1cc(C#N)ccc1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001233082395 818518706 /nfs/dbraw/zinc/51/87/06/818518706.db2.gz LANMEYNGGLDJFQ-UHFFFAOYSA-N 0 3 278.355 3.131 20 30 CGEDHN Cc1cc(C#N)ccc1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001233082395 818518711 /nfs/dbraw/zinc/51/87/11/818518711.db2.gz LANMEYNGGLDJFQ-UHFFFAOYSA-N 0 3 278.355 3.131 20 30 CGEDHN C[C@H]1CN(Cc2ccc(N(C)C)c(C#N)c2F)C2(CC2)C1 ZINC001233102730 818520748 /nfs/dbraw/zinc/52/07/48/818520748.db2.gz LNCXNBNWRVWQNH-GFCCVEGCSA-N 0 3 287.382 3.138 20 30 CGEDHN CN(C)c1ccc(CN(CC2CC2)C2CC2)c(F)c1C#N ZINC001233102859 818520840 /nfs/dbraw/zinc/52/08/40/818520840.db2.gz QEJYLPASGWZZPR-UHFFFAOYSA-N 0 3 287.382 3.138 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cscc1C ZINC001233511786 818631172 /nfs/dbraw/zinc/63/11/72/818631172.db2.gz ORVNYUXCACFOII-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CCCC(C)(C)C ZINC001234161466 818794625 /nfs/dbraw/zinc/79/46/25/818794625.db2.gz LNYRHEALLBZRCT-MRXNPFEDSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563183 818882596 /nfs/dbraw/zinc/88/25/96/818882596.db2.gz OATRDINOGFELJK-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563184 818882857 /nfs/dbraw/zinc/88/28/57/818882857.db2.gz OATRDINOGFELJK-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN CN(Cc1cccc(C#N)c1)Cc1ccccc1CC#N ZINC001235526008 819114670 /nfs/dbraw/zinc/11/46/70/819114670.db2.gz UAVZEQRPFOSZGE-UHFFFAOYSA-N 0 3 275.355 3.256 20 30 CGEDHN C=CCN(Cc1cc(F)cc(C(=O)OC)c1)C(C)(C)C ZINC001236785077 819594762 /nfs/dbraw/zinc/59/47/62/819594762.db2.gz KKFCQFIVECONPZ-UHFFFAOYSA-N 0 3 279.355 3.399 20 30 CGEDHN C#C[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237048937 819652370 /nfs/dbraw/zinc/65/23/70/819652370.db2.gz KAZVVBSKRXPSSH-AWEZNQCLSA-N 0 3 257.377 3.361 20 30 CGEDHN C#C[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237048937 819652371 /nfs/dbraw/zinc/65/23/71/819652371.db2.gz KAZVVBSKRXPSSH-AWEZNQCLSA-N 0 3 257.377 3.361 20 30 CGEDHN C#CCN(C)Cc1cc(OC)ccc1-c1ccccc1 ZINC001237306440 819721057 /nfs/dbraw/zinc/72/10/57/819721057.db2.gz HCBVWCXSSGXMRN-UHFFFAOYSA-N 0 3 265.356 3.427 20 30 CGEDHN C=CCCCCN(C)Cc1n[nH]c2cc(OC)ccc21 ZINC001237391809 819741304 /nfs/dbraw/zinc/74/13/04/819741304.db2.gz LIPOLSKCECDCKK-UHFFFAOYSA-N 0 3 273.380 3.360 20 30 CGEDHN C#CC1CCN(Cc2ccc3ncnc(Cl)c3c2)CC1 ZINC001237586972 819781983 /nfs/dbraw/zinc/78/19/83/819781983.db2.gz AYRNNIDYCUMAOH-UHFFFAOYSA-N 0 3 285.778 3.128 20 30 CGEDHN CCC[C@H]1CCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237615793 819786284 /nfs/dbraw/zinc/78/62/84/819786284.db2.gz ZIBREZHXMKNFGF-INIZCTEOSA-N 0 3 282.391 3.361 20 30 CGEDHN C=CCN(Cc1ccnc(OC(F)F)c1)C(C)(C)C ZINC001237620681 819788904 /nfs/dbraw/zinc/78/89/04/819788904.db2.gz RAOBXBFSZGGVAJ-UHFFFAOYSA-N 0 3 270.323 3.470 20 30 CGEDHN CCc1n[nH]cc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001237653786 819798782 /nfs/dbraw/zinc/79/87/82/819798782.db2.gz PUVJDXOGCRKRGS-UHFFFAOYSA-N 0 3 293.414 3.236 20 30 CGEDHN N#CC1(c2ccccc2-c2cc([O-])cc(F)c2)CC[NH2+]CC1 ZINC001241280114 821698653 /nfs/dbraw/zinc/69/86/53/821698653.db2.gz DTVLOEZSQSYSBG-UHFFFAOYSA-N 0 3 296.345 3.343 20 30 CGEDHN CN1CC=C(c2ccc(CC#N)c(C(F)(F)F)c2)CC1 ZINC001241322730 821731638 /nfs/dbraw/zinc/73/16/38/821731638.db2.gz SABPFTSJWSLAQG-UHFFFAOYSA-N 0 3 280.293 3.490 20 30 CGEDHN N#CCc1ccc(C2=CCN(Cc3ccccc3)CC2)cn1 ZINC001241504683 821905634 /nfs/dbraw/zinc/90/56/34/821905634.db2.gz YFWJACZOIJAYIA-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN N#Cc1ncc(C2=CCN(Cc3ccccc3)CC2)cc1F ZINC001241504161 821906337 /nfs/dbraw/zinc/90/63/37/821906337.db2.gz PNAWPKGGLGDILO-UHFFFAOYSA-N 0 3 293.345 3.382 20 30 CGEDHN N#Cc1cncc(-c2cccc(CN3CCCC3)c2F)c1 ZINC001242275452 822934012 /nfs/dbraw/zinc/93/40/12/822934012.db2.gz IRBMHERXLYSPPR-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN N#Cc1cncc(-c2ccc(CN3CCCC3)c(F)c2)c1 ZINC001242275432 822934027 /nfs/dbraw/zinc/93/40/27/822934027.db2.gz HOAZHFJWJIVJNB-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2ccsc2)CC1 ZINC001340368233 936404184 /nfs/dbraw/zinc/40/41/84/936404184.db2.gz QLZQQHOMPBLHPJ-HNNXBMFYSA-N 0 3 292.448 3.138 20 30 CGEDHN N#CC(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccn1 ZINC001342036629 936457898 /nfs/dbraw/zinc/45/78/98/936457898.db2.gz PWCCIDFHCHPKDY-CRWXNKLISA-N 0 3 254.333 3.084 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001343719328 936511512 /nfs/dbraw/zinc/51/15/12/936511512.db2.gz ZDILNFOJICASTC-BZUAXINKSA-N 0 3 293.370 3.180 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC1CC(c2ccccc2)C1 ZINC001343852106 936515326 /nfs/dbraw/zinc/51/53/26/936515326.db2.gz LSRUXIMTGNVKFK-BCLQGDPASA-N 0 3 293.370 3.180 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1CC=CC1 ZINC001479824855 936798266 /nfs/dbraw/zinc/79/82/66/936798266.db2.gz ZFKVXAGZTAFACE-ZFWWWQNUSA-N 0 3 296.842 3.064 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC(C)(C)CC(F)F ZINC001345643597 936819883 /nfs/dbraw/zinc/81/98/83/936819883.db2.gz RYGNDBWLOGPKQZ-JTQLQIEISA-N 0 3 283.322 3.151 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001479968063 936951644 /nfs/dbraw/zinc/95/16/44/936951644.db2.gz ZQFUFXUTESLRFG-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccccc1F ZINC001349703449 936958812 /nfs/dbraw/zinc/95/88/12/936958812.db2.gz XKLCAJIUMNJAFN-OCCSQVGLSA-N 0 3 299.349 3.412 20 30 CGEDHN C=C[C@H](COC)NCc1cc2ccnc(Cl)c2s1 ZINC001350857492 937001826 /nfs/dbraw/zinc/00/18/26/937001826.db2.gz MTYMKGZYBKHPAV-SNVBAGLBSA-N 0 3 282.796 3.240 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1c2ccccc2O[C@H]1C ZINC001352054148 937033735 /nfs/dbraw/zinc/03/37/35/937033735.db2.gz JHVYHASZGXQSLT-XUJVJEKNSA-N 0 3 258.365 3.427 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1c2ccccc2O[C@H]1C ZINC001352054147 937033858 /nfs/dbraw/zinc/03/38/58/937033858.db2.gz JHVYHASZGXQSLT-TYNCELHUSA-N 0 3 258.365 3.427 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1c2ccccc2O[C@@H]1C ZINC001352054145 937034059 /nfs/dbraw/zinc/03/40/59/937034059.db2.gz JHVYHASZGXQSLT-JMSVASOKSA-N 0 3 258.365 3.427 20 30 CGEDHN C=CCCC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC001353146468 937058652 /nfs/dbraw/zinc/05/86/52/937058652.db2.gz NCHYECOIBXXXQR-IRXDYDNUSA-N 0 3 299.418 3.221 20 30 CGEDHN C#Cc1ccc(NC[C@H](c2ccco2)N(CC)CC)nc1 ZINC001354090997 937089257 /nfs/dbraw/zinc/08/92/57/937089257.db2.gz YQBCLNDZTMQRRM-OAHLLOKOSA-N 0 3 283.375 3.151 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CC(C(C)(C)C)C1 ZINC001347337376 926724705 /nfs/dbraw/zinc/72/47/05/926724705.db2.gz HQAJRNRNTTZJDU-WXRRBKDZSA-N 0 3 273.380 3.152 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)C[C@H](C)c1ccccc1C ZINC001480920155 926792914 /nfs/dbraw/zinc/79/29/14/926792914.db2.gz ICWZTTAMEYDOCZ-INIZCTEOSA-N 0 3 288.435 3.113 20 30 CGEDHN C#CCCN[C@@H](CNC(=O)CCC1CCC1)c1ccccc1 ZINC001481363802 926969195 /nfs/dbraw/zinc/96/91/95/926969195.db2.gz VLACXMRSIFRMPG-SFHVURJKSA-N 0 3 298.430 3.037 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C(C1CC1)C1CC1)c1ccccc1 ZINC001481372242 926970258 /nfs/dbraw/zinc/97/02/58/926970258.db2.gz FGRAIRJVLIDHBK-KRWDZBQOSA-N 0 3 298.430 3.056 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001481747731 927078933 /nfs/dbraw/zinc/07/89/33/927078933.db2.gz RPKJPCWWWUUEKT-JKSUJKDBSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001481979363 927121842 /nfs/dbraw/zinc/12/18/42/927121842.db2.gz OKKFEEZMMMZPTC-CQSZACIVSA-N 0 3 298.858 3.147 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CNCc1ccc(C)cc1Cl ZINC001483213780 927441339 /nfs/dbraw/zinc/44/13/39/927441339.db2.gz ZHECYTGDVCHNIR-ZDUSSCGKSA-N 0 3 294.826 3.209 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@]1(C)CCC[C@H]1C ZINC001483491221 927513850 /nfs/dbraw/zinc/51/38/50/927513850.db2.gz YNUFHXXNPWTISG-DOMZBBRYSA-N 0 3 286.847 3.003 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H](C)c1cccnc1 ZINC001357375911 937171439 /nfs/dbraw/zinc/17/14/39/937171439.db2.gz MBRQPHALYJYLGW-HOCLYGCPSA-N 0 3 291.439 3.337 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CC1(C)CCCC1 ZINC001483647245 927560648 /nfs/dbraw/zinc/56/06/48/927560648.db2.gz JRRALRKSBMEVRU-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCCCC(C)C)C1 ZINC001485530392 927882570 /nfs/dbraw/zinc/88/25/70/927882570.db2.gz OKKXYFMFFVVEOY-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1C[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001485581463 927889180 /nfs/dbraw/zinc/88/91/80/927889180.db2.gz DNCMBAOQCMLOSV-CABCVRRESA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccsc2)C[C@H]1C ZINC001486121580 927986082 /nfs/dbraw/zinc/98/60/82/927986082.db2.gz MDAIGOQJILUCDF-UKRRQHHQSA-N 0 3 292.448 3.183 20 30 CGEDHN C#CCCN(C)CCN(C(=O)C1CCCCCC1)C(C)C ZINC001486364326 928009488 /nfs/dbraw/zinc/00/94/88/928009488.db2.gz GDFSQAKFCZYHEQ-UHFFFAOYSA-N 0 3 292.467 3.149 20 30 CGEDHN N#CCC1CCC(NCC(=O)c2cc(F)cc(F)c2)CC1 ZINC001173332598 928227731 /nfs/dbraw/zinc/22/77/31/928227731.db2.gz PFJDRHWJTJUYLC-UHFFFAOYSA-N 0 3 292.329 3.210 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCCN(C)Cc1ccsc1 ZINC001490234145 928337044 /nfs/dbraw/zinc/33/70/44/928337044.db2.gz WNMVHLBJZWIBJV-UHFFFAOYSA-N 0 3 294.464 3.289 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)CCCCCC)CC1 ZINC001490421713 928360098 /nfs/dbraw/zinc/36/00/98/928360098.db2.gz MKWBLQGEGBNDHL-UHFFFAOYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001490563508 928373232 /nfs/dbraw/zinc/37/32/32/928373232.db2.gz NZHKEMJRJMURPR-SJORKVTESA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001490570229 928376617 /nfs/dbraw/zinc/37/66/17/928376617.db2.gz KGVOPLAUQCQAQO-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC23CC3)CC1 ZINC001490619306 928377545 /nfs/dbraw/zinc/37/75/45/928377545.db2.gz YKYNUFKMVSNCEP-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001490758561 928388169 /nfs/dbraw/zinc/38/81/69/928388169.db2.gz JJBXQWQWBCALKA-ZHMISCPASA-N 0 3 298.858 3.266 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN(C[C@H](F)CC)C1 ZINC001491107297 928833393 /nfs/dbraw/zinc/83/33/93/928833393.db2.gz HWUORUZIQXABFC-HUUCEWRRSA-N 0 3 298.446 3.165 20 30 CGEDHN CCC(CC)CN(CCC#N)C(=O)CN(C)CC(C)(C)C ZINC001443564132 937347582 /nfs/dbraw/zinc/34/75/82/937347582.db2.gz PMMPPPVYEYTCNZ-UHFFFAOYSA-N 0 3 295.471 3.143 20 30 CGEDHN CCC(C)(C)N1CCN(c2cc(C)cc(F)c2C#N)CC1 ZINC001458454959 937463555 /nfs/dbraw/zinc/46/35/55/937463555.db2.gz IKQWUILCDFBLLO-UHFFFAOYSA-N 0 3 289.398 3.316 20 30 CGEDHN CC1(C)CC(CN2CCN(c3ccccc3C#N)CC2)C1 ZINC001459411604 937487593 /nfs/dbraw/zinc/48/75/93/937487593.db2.gz JBXXHUBGAXIHOF-UHFFFAOYSA-N 0 3 283.419 3.116 20 30 CGEDHN CCC#C[C@H](C)N1CCCc2cc(OC)ccc2C1 ZINC001459436395 937488005 /nfs/dbraw/zinc/48/80/05/937488005.db2.gz HVJPDTXOWKEEIM-AWEZNQCLSA-N 0 3 257.377 3.245 20 30 CGEDHN C=C[C@@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301683 932128650 /nfs/dbraw/zinc/12/86/50/932128650.db2.gz AXHFEKCNPRYHMI-AWEZNQCLSA-N 0 3 261.365 3.164 20 30 CGEDHN CC#CC[C@@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303596 932128864 /nfs/dbraw/zinc/12/88/64/932128864.db2.gz VSJRNEHXYDREKP-MRXNPFEDSA-N 0 3 287.403 3.392 20 30 CGEDHN C=C1O[C@@H](CC)C(=O)C1Oc1cccc([C@@H](C)N(C)C)c1 ZINC001229622995 932180330 /nfs/dbraw/zinc/18/03/30/932180330.db2.gz REYKDSPKVYXXAQ-ABAIWWIYSA-N 0 3 289.375 3.297 20 30 CGEDHN C=CCCOCCNCc1cc(Cl)ccc1OCC ZINC001461409644 937579649 /nfs/dbraw/zinc/57/96/49/937579649.db2.gz BCZLWAFUZVGCEY-UHFFFAOYSA-N 0 3 283.799 3.421 20 30 CGEDHN C#CCOc1ccccc1CNC[C@@H]1CCCC(C)(C)O1 ZINC001461792533 937597495 /nfs/dbraw/zinc/59/74/95/937597495.db2.gz FSIHNVIJJFNGMJ-INIZCTEOSA-N 0 3 287.403 3.136 20 30 CGEDHN CN(C)c1ccnc(-c2ccc(C3(C#N)CC3)cc2)c1 ZINC001243420285 932705496 /nfs/dbraw/zinc/70/54/96/932705496.db2.gz LUUXCWQVOLIMKQ-UHFFFAOYSA-N 0 3 263.344 3.370 20 30 CGEDHN c1ccc2c(c1)NCCCC2=NN[C@@H]1CCCSC1 ZINC001333670143 932759915 /nfs/dbraw/zinc/75/99/15/932759915.db2.gz MKWKAHWHMKLLLO-GFCCVEGCSA-N 0 3 275.421 3.082 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CC(C)(C)C1CC1 ZINC001492019471 932800895 /nfs/dbraw/zinc/80/08/95/932800895.db2.gz ALMSTQXZGPVTCZ-GFCCVEGCSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)[C@H]1CC ZINC001316732716 932848883 /nfs/dbraw/zinc/84/88/83/932848883.db2.gz IEHLMOZFJVBUHD-CWRNSKLLSA-N 0 3 280.456 3.214 20 30 CGEDHN CCCCCCN([O-])C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001306896755 932892687 /nfs/dbraw/zinc/89/26/87/932892687.db2.gz LAVRASVABGKKDL-AWEZNQCLSA-N 0 3 270.417 3.049 20 30 CGEDHN COC[C@H](CN(CCC#N)CC(C)(C)C)C(C)C ZINC001307485497 932959395 /nfs/dbraw/zinc/95/93/95/932959395.db2.gz INQZHJWMAPQBDH-AWEZNQCLSA-N 0 3 254.418 3.167 20 30 CGEDHN CC(C)CCN(CCC#N)C[Si](C)(C)c1ccccc1 ZINC001307514452 932964700 /nfs/dbraw/zinc/96/47/00/932964700.db2.gz NQUYAPAYFPDWCF-UHFFFAOYSA-N 0 3 288.511 3.403 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2cc(C#N)ccn2)C12CCC2 ZINC001307932936 933022254 /nfs/dbraw/zinc/02/22/54/933022254.db2.gz GEWDDJCYKYSJTM-JKSUJKDBSA-N 0 3 299.418 3.169 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1Cl)C(C)(C)C ZINC001308087714 933045771 /nfs/dbraw/zinc/04/57/71/933045771.db2.gz HGDHBOOJVNLDHY-CQSZACIVSA-N 0 3 283.774 3.246 20 30 CGEDHN N#Cc1ccc(CNCc2cc3ccccc3[nH]2)s1 ZINC001308440117 933111419 /nfs/dbraw/zinc/11/14/19/933111419.db2.gz FAVOMTMZPSTFFU-UHFFFAOYSA-N 0 3 267.357 3.391 20 30 CGEDHN CCCCO[C@H]1C[C@@H](NCC(C)(C)C#N)C1(C)C ZINC001308673838 933155193 /nfs/dbraw/zinc/15/51/93/933155193.db2.gz ZOWNVXIMFYRLJR-OLZOCXBDSA-N 0 3 252.402 3.110 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc([O-])c(F)c1 ZINC001308737241 933166958 /nfs/dbraw/zinc/16/69/58/933166958.db2.gz FFWIQPWNOUNFKB-INIZCTEOSA-N 0 3 282.318 3.180 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(O)c(F)c1 ZINC001308737241 933166962 /nfs/dbraw/zinc/16/69/62/933166962.db2.gz FFWIQPWNOUNFKB-INIZCTEOSA-N 0 3 282.318 3.180 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)[C@H]1CC ZINC001316739260 933477333 /nfs/dbraw/zinc/47/73/33/933477333.db2.gz ORHRGMOQZHEGQL-YESZJQIVSA-N 0 3 292.467 3.051 20 30 CGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001317381000 933581471 /nfs/dbraw/zinc/58/14/71/933581471.db2.gz IDJRZZYXWNIVPI-IAGOWNOFSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCN(CCNC(=O)c1ccccc1CCC)C1CC1 ZINC001317554317 933617714 /nfs/dbraw/zinc/61/77/14/933617714.db2.gz GCMBRLKMRDQXQK-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCN[C@H](CNC(=O)C[C@@H](C)C1CC1)c1ccccc1 ZINC001317728033 933638270 /nfs/dbraw/zinc/63/82/70/933638270.db2.gz BAYDWBUOMVEVQM-RHSMWYFYSA-N 0 3 286.419 3.056 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCCC ZINC001318195920 933693901 /nfs/dbraw/zinc/69/39/01/933693901.db2.gz LELZTMRMJCJNLX-PMPSAXMXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H](C)CCC)C1 ZINC001318458057 933730381 /nfs/dbraw/zinc/73/03/81/933730381.db2.gz MVRUSUYAXCVKCD-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001318478096 933731747 /nfs/dbraw/zinc/73/17/47/933731747.db2.gz KAWNSXOFZACJCZ-SJORKVTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001318478094 933733043 /nfs/dbraw/zinc/73/30/43/933733043.db2.gz KAWNSXOFZACJCZ-IAGOWNOFSA-N 0 3 290.451 3.232 20 30 CGEDHN C#CCOCCN(C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC001319655067 933909350 /nfs/dbraw/zinc/90/93/50/933909350.db2.gz BWSJIENOLSGJPR-LLVKDONJSA-N 0 3 269.747 3.122 20 30 CGEDHN C[C@H](NCc1cccc(OCC#N)c1)c1cccc(C#N)c1 ZINC001319951286 933964397 /nfs/dbraw/zinc/96/43/97/933964397.db2.gz JXGZUQDYDAGLPV-AWEZNQCLSA-N 0 3 291.354 3.311 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001320085977 933994056 /nfs/dbraw/zinc/99/40/56/933994056.db2.gz VCBOUNYITOWDHF-UHFFFAOYSA-N 0 3 268.445 3.025 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(SC)cc1 ZINC001320427776 934046198 /nfs/dbraw/zinc/04/61/98/934046198.db2.gz JWOZJZDWJYYKKT-WCQYABFASA-N 0 3 251.395 3.260 20 30 CGEDHN C=CCCC(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001321468188 934186526 /nfs/dbraw/zinc/18/65/26/934186526.db2.gz FQRZIPCLUTYWQA-NEPJUHHUSA-N 0 3 296.361 3.086 20 30 CGEDHN N#CCOc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC001324541323 934521212 /nfs/dbraw/zinc/52/12/12/934521212.db2.gz JIFBOTIFEDGRRE-MRXNPFEDSA-N 0 3 294.354 3.072 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC001472560849 937777550 /nfs/dbraw/zinc/77/75/50/937777550.db2.gz JBFXPJCESGHAMF-ZIAGYGMSSA-N 0 3 278.396 3.181 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001324679736 934548512 /nfs/dbraw/zinc/54/85/12/934548512.db2.gz FMBIIPXKIQMDNY-VOFKWLDRSA-N 0 3 298.430 3.165 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)C1CCN(C[C@@H](F)CC)CC1 ZINC001332999658 935503417 /nfs/dbraw/zinc/50/34/17/935503417.db2.gz WLMNESYSLXEWQI-HOCLYGCPSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CC[C@H](C)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC001333428712 935534087 /nfs/dbraw/zinc/53/40/87/935534087.db2.gz JXDQCJIGKJRUBQ-STQMWFEESA-N 0 3 262.401 3.010 20 30 CGEDHN C=CC[C@@H](C)N[C@H](CC)c1nnc2n1CCCCC2 ZINC001333428709 935535079 /nfs/dbraw/zinc/53/50/79/935535079.db2.gz JXDQCJIGKJRUBQ-CHWSQXEVSA-N 0 3 262.401 3.010 20 30 CGEDHN N#CC1(CCN2CC[C@@H](c3ncccn3)C2)CCCCC1 ZINC001473832655 937824292 /nfs/dbraw/zinc/82/42/92/937824292.db2.gz MTCLRLJHXAYWNF-OAHLLOKOSA-N 0 3 284.407 3.130 20 30 CGEDHN C=CCCCN(CC)CC(=O)N(C)CC1CCCCC1 ZINC001473861530 937825545 /nfs/dbraw/zinc/82/55/45/937825545.db2.gz APXFVMXUZFJWAN-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C#C[C@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC001473868567 937826146 /nfs/dbraw/zinc/82/61/46/937826146.db2.gz SMUADRYKQCTMTQ-INIZCTEOSA-N 0 3 266.388 3.475 20 30 CGEDHN C#C[C@H](NCc1ccc(C(=O)OC(C)(C)C)s1)C(C)C ZINC001474508180 937863849 /nfs/dbraw/zinc/86/38/49/937863849.db2.gz XCBPNHNZLWWJNE-ZDUSSCGKSA-N 0 3 293.432 3.451 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC001479094380 937916255 /nfs/dbraw/zinc/91/62/55/937916255.db2.gz WAEFRQCWEOHOCN-HNNXBMFYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001479965759 937929958 /nfs/dbraw/zinc/92/99/58/937929958.db2.gz NDRXQDOBSJAFHL-JKSUJKDBSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H](F)CC)C1 ZINC001480260331 937934879 /nfs/dbraw/zinc/93/48/79/937934879.db2.gz VOFIOZVJMLWWHY-LSDHHAIUSA-N 0 3 298.446 3.165 20 30 CGEDHN C=CCN(CCNC(=O)c1cccc(C)c1Cl)C1CC1 ZINC001493428307 937950042 /nfs/dbraw/zinc/95/00/42/937950042.db2.gz STYVHZBINPFOKU-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCN(CCNC(=O)C1(CC=C)CCCCC1)C1CC1 ZINC001493450401 937950456 /nfs/dbraw/zinc/95/04/56/937950456.db2.gz RXMYJWGIHLOYSY-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN CC(C)N(C/C=C/Cl)CCCNC(=O)C#CC(C)(C)C ZINC001493858300 937951748 /nfs/dbraw/zinc/95/17/48/937951748.db2.gz CXHVXKDPHWIGSA-UXBLZVDNSA-N 0 3 298.858 3.005 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C1(CC)CCC1)c1ccccc1 ZINC001493896432 937951948 /nfs/dbraw/zinc/95/19/48/937951948.db2.gz MDRWLBILSBTOEB-INIZCTEOSA-N 0 3 286.419 3.200 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001494656523 937955821 /nfs/dbraw/zinc/95/58/21/937955821.db2.gz USGZBQKUJLOWGD-JYJNAYRXSA-N 0 3 292.467 3.308 20 30 CGEDHN C=CCCCN1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001494735697 937956109 /nfs/dbraw/zinc/95/61/09/937956109.db2.gz OZMXDOBNWUUPDG-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@]2(C)C=CCC2)CCCC1 ZINC001495937627 937960498 /nfs/dbraw/zinc/96/04/98/937960498.db2.gz QGBWWFXXEWMDAI-OAHLLOKOSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@]2(C)C=CCC2)CCCC1 ZINC001495937625 937960510 /nfs/dbraw/zinc/96/05/10/937960510.db2.gz QGBWWFXXEWMDAI-HNNXBMFYSA-N 0 3 296.842 3.114 20 30 CGEDHN CC#CCNC/C=C\CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001497763503 937966761 /nfs/dbraw/zinc/96/67/61/937966761.db2.gz GMMAUSCIUMCEIM-XITLMJRVSA-N 0 3 298.430 3.099 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001499030264 937972296 /nfs/dbraw/zinc/97/22/96/937972296.db2.gz MJXYALUJRIKPKU-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2C[C@@H](F)CC ZINC001501391268 937979570 /nfs/dbraw/zinc/97/95/70/937979570.db2.gz POMIEJLOSOPNAU-ARFHVFGLSA-N 0 3 296.430 3.156 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C1CC=CC1 ZINC001501660988 937980043 /nfs/dbraw/zinc/98/00/43/937980043.db2.gz HTFMVBRLYNGAFF-UHFFFAOYSA-N 0 3 298.430 3.277 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001502907366 937983553 /nfs/dbraw/zinc/98/35/53/937983553.db2.gz VWOFMNUNRCCGLS-HIFRSBDPSA-N 0 3 292.448 3.183 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001507379284 937995493 /nfs/dbraw/zinc/99/54/93/937995493.db2.gz AWBSFYLFCNHMSB-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001526587269 938056503 /nfs/dbraw/zinc/05/65/03/938056503.db2.gz MNIOXVVXIDZGRN-QJPTWQEYSA-N 0 3 291.782 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(C(C)(C)C)cn1 ZINC001526594622 938056573 /nfs/dbraw/zinc/05/65/73/938056573.db2.gz QOXJUGXBKDMRCD-CYBMUJFWSA-N 0 3 296.374 3.086 20 30 CGEDHN C=CC[C@H](C)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC001559538161 938228801 /nfs/dbraw/zinc/22/88/01/938228801.db2.gz QNYGVCDFONKDCA-HOCLYGCPSA-N 0 3 272.392 3.078 20 30 CGEDHN Cc1cccc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC001559671848 938232614 /nfs/dbraw/zinc/23/26/14/938232614.db2.gz HNOIVUKBEOXKJL-AWEZNQCLSA-N 0 3 293.370 3.156 20 30 CGEDHN C=CCOCCN(C)CCOc1ccccc1C(C)(C)C ZINC001559796263 938236081 /nfs/dbraw/zinc/23/60/81/938236081.db2.gz DDNCTKVHYBGKMY-UHFFFAOYSA-N 0 3 291.435 3.497 20 30 CGEDHN C=CCC[C@@H]1CCCN1Cc1csnc1OC ZINC001560200326 938246731 /nfs/dbraw/zinc/24/67/31/938246731.db2.gz SYASFSCGHSLVBD-GFCCVEGCSA-N 0 3 252.383 3.082 20 30 CGEDHN Cc1cc(C)cc(OCCNCc2csc(C#N)c2)c1 ZINC001560289921 938251164 /nfs/dbraw/zinc/25/11/64/938251164.db2.gz VLQRISPRVOKITD-UHFFFAOYSA-N 0 3 286.400 3.405 20 30 CGEDHN C=C(CNCc1csc(C#N)c1)c1ccccc1 ZINC001560314802 938252505 /nfs/dbraw/zinc/25/25/05/938252505.db2.gz LVPCBXCCKRKGRA-UHFFFAOYSA-N 0 3 254.358 3.423 20 30 CGEDHN C#Cc1ccc(CNCc2ccc3[nH]ccc3c2)cc1 ZINC001560478386 938259858 /nfs/dbraw/zinc/25/98/58/938259858.db2.gz UVERBBSIFGDXBD-UHFFFAOYSA-N 0 3 260.340 3.439 20 30 CGEDHN C#CC1(NCc2ccc(OC(F)F)c(OC)c2)CCCC1 ZINC001560568918 938263095 /nfs/dbraw/zinc/26/30/95/938263095.db2.gz DFWSHWPIHKPDNT-UHFFFAOYSA-N 0 3 295.329 3.332 20 30 CGEDHN C=CCC[C@H](C)N[C@H]1COc2cc(F)cc(F)c21 ZINC001560751958 938273816 /nfs/dbraw/zinc/27/38/16/938273816.db2.gz VEQQQVDITPHURB-CABZTGNLSA-N 0 3 253.292 3.343 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC001574851416 960471070 /nfs/dbraw/zinc/47/10/70/960471070.db2.gz FFNGQUSDBNNUOD-HUUCEWRRSA-N 0 3 298.858 3.322 20 30 CGEDHN C=C(CC)C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001566208583 960902529 /nfs/dbraw/zinc/90/25/29/960902529.db2.gz GOWSVCBYBDLWIR-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)CC2(C)CCCCC2)CC1 ZINC001566610565 960963622 /nfs/dbraw/zinc/96/36/22/960963622.db2.gz HOMQRHVAMUNVIL-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@@H](C)CCCCC)C1 ZINC001566878151 961038252 /nfs/dbraw/zinc/03/82/52/961038252.db2.gz MYCTXGLYSXPFST-IRXDYDNUSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001566925224 961066389 /nfs/dbraw/zinc/06/63/89/961066389.db2.gz CWROQAXNGZNZNU-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccccc1C ZINC001567301845 961281767 /nfs/dbraw/zinc/28/17/67/961281767.db2.gz KESPCYLJGPFMBG-GOSISDBHSA-N 0 3 288.435 3.145 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCC1CCCCC1 ZINC001567391467 961326860 /nfs/dbraw/zinc/32/68/60/961326860.db2.gz PMHFOBKFOUHTLQ-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)/C(C)=C/CC)c1ccccc1 ZINC001567656464 961382479 /nfs/dbraw/zinc/38/24/79/961382479.db2.gz PEXNRLWAEPFVDT-FVLHSZHDSA-N 0 3 286.419 3.366 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)C1(C)CCC1)c1ccccc1 ZINC001567663785 961388292 /nfs/dbraw/zinc/38/82/92/961388292.db2.gz SDCBJBLUVGEOMO-INIZCTEOSA-N 0 3 286.419 3.200 20 30 CGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001569651604 961807922 /nfs/dbraw/zinc/80/79/22/961807922.db2.gz SWKSPVMVHXYMOI-MAUKXSAKSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C=C)c1ccccc1 ZINC001570547538 961999682 /nfs/dbraw/zinc/99/96/82/961999682.db2.gz FDWQDKDMYPGMDC-QZTJIDSGSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CCN(C[C@@H](F)CC)CC1 ZINC001571645294 962204195 /nfs/dbraw/zinc/20/41/95/962204195.db2.gz ZOTJKVGHPYLKRI-HIFRSBDPSA-N 0 3 298.446 3.163 20 30 CGEDHN C#CCC1(C(=O)Nc2cccc3c2CNC3)CCCCC1 ZINC001574526030 962314744 /nfs/dbraw/zinc/31/47/44/962314744.db2.gz XEYBPHKOPUWOGE-UHFFFAOYSA-N 0 3 282.387 3.202 20 30 CGEDHN C=C(C)COCCNCc1cccc(-c2ccc(N)cc2)n1 ZINC001574836849 962317603 /nfs/dbraw/zinc/31/76/03/962317603.db2.gz VNAPOXFNXOEAOP-UHFFFAOYSA-N 0 3 297.402 3.013 20 30 CGEDHN C=CC1(CC(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)CCCCC1 ZINC001574880951 962318535 /nfs/dbraw/zinc/31/85/35/962318535.db2.gz VIAHPQJLBFBIDP-QLFBSQMISA-N 0 3 278.440 3.110 20 30 CGEDHN CCCCCCCCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC001587067880 963171426 /nfs/dbraw/zinc/17/14/26/963171426.db2.gz ZQDADBUIDKEADZ-QGZVFWFLSA-N 0 3 280.456 3.338 20 30 CGEDHN C=CC(C)(C)C[NH2+][C@@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588488667 963280473 /nfs/dbraw/zinc/28/04/73/963280473.db2.gz LGQQBNVAFUUGMV-AWEZNQCLSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CC(C)(C)C[NH2+][C@@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588488667 963280485 /nfs/dbraw/zinc/28/04/85/963280485.db2.gz LGQQBNVAFUUGMV-AWEZNQCLSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CCCCCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588594621 963281482 /nfs/dbraw/zinc/28/14/82/963281482.db2.gz YPQJDTWTIDNHMV-AWEZNQCLSA-N 0 3 299.422 3.481 20 30 CGEDHN C=CCCCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588594621 963281496 /nfs/dbraw/zinc/28/14/96/963281496.db2.gz YPQJDTWTIDNHMV-AWEZNQCLSA-N 0 3 299.422 3.481 20 30 CGEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)c(-c3nnn[n-]3)c2)C1 ZINC001588560880 963281853 /nfs/dbraw/zinc/28/18/53/963281853.db2.gz VFCJBRYEORBYLL-HIFRSBDPSA-N 0 3 297.406 3.010 20 30 CGEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)c(-c3nn[n-]n3)c2)C1 ZINC001588560880 963281862 /nfs/dbraw/zinc/28/18/62/963281862.db2.gz VFCJBRYEORBYLL-HIFRSBDPSA-N 0 3 297.406 3.010 20 30 CGEDHN COCC1(CN[C@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000337438595 214082632 /nfs/dbraw/zinc/08/26/32/214082632.db2.gz XMMJPXDZAPMJIH-GFCCVEGCSA-N 0 3 276.355 3.165 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cn3ccccc3n2)C1 ZINC000651668651 398265008 /nfs/dbraw/zinc/26/50/08/398265008.db2.gz SXIFBHRDNGBDBN-UONOGXRCSA-N 0 3 255.365 3.169 20 30 CGEDHN Cc1ccccc1C(C)(C)NCc1ccnc(C#N)c1 ZINC000590192675 346835768 /nfs/dbraw/zinc/83/57/68/346835768.db2.gz XMMDLZBRTBPPOF-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)N1C ZINC000590199861 346836607 /nfs/dbraw/zinc/83/66/07/346836607.db2.gz XXZMCXTZASKHDK-GASCZTMLSA-N 0 3 285.435 3.012 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2nc3c(s2)CCCC3)C1 ZINC000590656369 346860009 /nfs/dbraw/zinc/86/00/09/346860009.db2.gz DNUKMUFTBJNGLF-RYUDHWBXSA-N 0 3 275.421 3.194 20 30 CGEDHN CC(C)CC[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000486783622 534924788 /nfs/dbraw/zinc/92/47/88/534924788.db2.gz ZKTLKACLFBQERK-KRWDZBQOSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2ncnn2-c2ccccc2)C1 ZINC000651787702 398288802 /nfs/dbraw/zinc/28/88/02/398288802.db2.gz CCYMAZBRVNJOIC-HUUCEWRRSA-N 0 3 282.391 3.102 20 30 CGEDHN C=CC[C@H](CC)NCc1cc(F)c(OC)cc1OC ZINC000651793533 398289201 /nfs/dbraw/zinc/28/92/01/398289201.db2.gz XUHPUFTWIWGAJZ-LBPRGKRZSA-N 0 3 267.344 3.287 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(CCC2=CCCCC2)CC1 ZINC000590709413 346866301 /nfs/dbraw/zinc/86/63/01/346866301.db2.gz UTAVVEMZMVZRIN-QGZVFWFLSA-N 0 3 275.440 3.043 20 30 CGEDHN CC[C@H](C[C@H](C)CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358577782 529423118 /nfs/dbraw/zinc/42/31/18/529423118.db2.gz VGPDTBGGDMWGLH-SGMGOOAPSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@](CO)(NCCC1(C#N)CCCCC1)c1ccccc1 ZINC000591014005 346894730 /nfs/dbraw/zinc/89/47/30/346894730.db2.gz LHOZJVUYCRSMPX-KRWDZBQOSA-N 0 3 286.419 3.348 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)[C@@H]1SC ZINC000590957381 346890380 /nfs/dbraw/zinc/89/03/80/346890380.db2.gz RMEOJVCCVBAPCF-CAPXZKIUSA-N 0 3 290.432 3.118 20 30 CGEDHN CC[C@@H](CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352834142 529490781 /nfs/dbraw/zinc/49/07/81/529490781.db2.gz KYUWYGYGOVAGGX-LBPRGKRZSA-N 0 3 271.389 3.298 20 30 CGEDHN C=CCOc1c(Cl)cc(CN[C@H](C)COC)cc1OC ZINC000623335654 349780678 /nfs/dbraw/zinc/78/06/78/349780678.db2.gz XGNCXTJPUSYTAT-LLVKDONJSA-N 0 3 299.798 3.038 20 30 CGEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)C(C)C ZINC000414297310 529651846 /nfs/dbraw/zinc/65/18/46/529651846.db2.gz PPRMNEAORBACTK-UVBJJODRSA-N 0 3 278.371 3.143 20 30 CGEDHN C[C@@H](c1cccnc1)N(C)CCOc1ccc(C#N)cc1 ZINC000127860826 187336961 /nfs/dbraw/zinc/33/69/61/187336961.db2.gz QXEFNAGKKMDDAZ-AWEZNQCLSA-N 0 3 281.359 3.025 20 30 CGEDHN C=CCCOCCNCc1csc(C(F)(F)F)c1 ZINC000623474143 349815964 /nfs/dbraw/zinc/81/59/64/349815964.db2.gz SENYRTCGTYYHBX-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN C=CC(C)(C)CCNCc1c(OC)cccc1OC ZINC000623593228 349843581 /nfs/dbraw/zinc/84/35/81/349843581.db2.gz ZLDLSNZNPDJFQJ-UHFFFAOYSA-N 0 3 263.381 3.396 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC2CCN(C(C)C)CC2)c1 ZINC000273170210 192063975 /nfs/dbraw/zinc/06/39/75/192063975.db2.gz DTTUMZXZDBGREX-UHFFFAOYSA-N 0 3 285.391 3.046 20 30 CGEDHN C[C@@H]1CCN(Cc2ccncc2C#N)[C@H]2CCCC[C@H]12 ZINC000592059339 346958372 /nfs/dbraw/zinc/95/83/72/346958372.db2.gz IPOJWMKDXXOOEV-XYPHTWIQSA-N 0 3 269.392 3.354 20 30 CGEDHN N#Cc1cnccc1CN[C@H](Cc1ccccc1)C1CC1 ZINC000592098269 346962393 /nfs/dbraw/zinc/96/23/93/346962393.db2.gz NLYKRMWMAGOZRC-GOSISDBHSA-N 0 3 277.371 3.064 20 30 CGEDHN CCC[C@@H](C)[C@H]1CCCN1Cc1ccncc1C#N ZINC000592076407 346961208 /nfs/dbraw/zinc/96/12/08/346961208.db2.gz ZLPIKOQFDKSMPU-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000592108077 346963460 /nfs/dbraw/zinc/96/34/60/346963460.db2.gz SLIMHAVHOZSHOF-LSDHHAIUSA-N 0 3 275.421 3.107 20 30 CGEDHN C[C@H](c1ccc2ccccc2c1)N1CC[C@](O)(CC#N)C1 ZINC000592150908 346967123 /nfs/dbraw/zinc/96/71/23/346967123.db2.gz JIUDGVDPEVSEOT-RDTXWAMCSA-N 0 3 280.371 3.251 20 30 CGEDHN CCC(C)(C)c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592153704 346967613 /nfs/dbraw/zinc/96/76/13/346967613.db2.gz NYGGPJTVJNRYNF-SFHVURJKSA-N 0 3 286.419 3.225 20 30 CGEDHN CC(C)(C)OC(=O)C1(C)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000592160666 346967777 /nfs/dbraw/zinc/96/77/77/346967777.db2.gz UOVVHZBVVSZPNW-KGLIPLIRSA-N 0 3 292.423 3.122 20 30 CGEDHN C[C@@H]1CN(CCCC(C)(C)C#N)CC2(CCCC2)O1 ZINC000592195171 346971392 /nfs/dbraw/zinc/97/13/92/346971392.db2.gz RCUDRKLOLTVLRP-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN N#C[C@@H]1CC[C@H](NC2(c3ccccc3F)CCC2)C1 ZINC000592397286 346983978 /nfs/dbraw/zinc/98/39/78/346983978.db2.gz SRVHXNXKKGSEAH-OLZOCXBDSA-N 0 3 258.340 3.487 20 30 CGEDHN C=C(C)COc1cc(CNC/C=C/C)ccc1OC ZINC000623739068 349873965 /nfs/dbraw/zinc/87/39/65/349873965.db2.gz HMPKCAYFOLMMBB-AATRIKPKSA-N 0 3 261.365 3.316 20 30 CGEDHN C=CCOc1ccc(CN(CC)CCSC)cc1OC ZINC000592529344 346997337 /nfs/dbraw/zinc/99/73/37/346997337.db2.gz KRTJDFPHJWBQLF-UHFFFAOYSA-N 0 3 295.448 3.445 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000593035452 347030277 /nfs/dbraw/zinc/03/02/77/347030277.db2.gz MHCOMMWBKUCWFW-AWEZNQCLSA-N 0 3 285.347 3.088 20 30 CGEDHN Cc1cc(CN2CCC3(CC3(F)F)CC2)ccc1C#N ZINC000593072587 347035962 /nfs/dbraw/zinc/03/59/62/347035962.db2.gz IMJZAIAKZBTDPK-UHFFFAOYSA-N 0 3 276.330 3.488 20 30 CGEDHN COc1ccc(C[C@H]2CCCCN2CCCC#N)cc1 ZINC000593084834 347037368 /nfs/dbraw/zinc/03/73/68/347037368.db2.gz SJYMOHHCHJHOPE-MRXNPFEDSA-N 0 3 272.392 3.396 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC3(CC2)C(F)(F)C3(F)F)C1 ZINC000593055705 347033584 /nfs/dbraw/zinc/03/35/84/347033584.db2.gz ZXFDZPGMIONCRX-UWVGGRQHSA-N 0 3 276.277 3.045 20 30 CGEDHN CC[C@H](COCC(F)(F)F)NCc1ccc(C#N)s1 ZINC000295089543 199339816 /nfs/dbraw/zinc/33/98/16/199339816.db2.gz JDCQLBUZRXHNCT-SECBINFHSA-N 0 3 292.326 3.067 20 30 CGEDHN COCCN(Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000046600720 345041512 /nfs/dbraw/zinc/04/15/12/345041512.db2.gz QCPOAUTYWWRWTH-UHFFFAOYSA-N 0 3 276.355 3.088 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000050274315 345079408 /nfs/dbraw/zinc/07/94/08/345079408.db2.gz SLFBTTUPAMMXFM-OAHLLOKOSA-N 0 3 261.365 3.417 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1ccccc1 ZINC000054993390 345141945 /nfs/dbraw/zinc/14/19/45/345141945.db2.gz VDFJKBSMUCEKJB-KRWDZBQOSA-N 0 3 286.419 3.248 20 30 CGEDHN CN(CCOc1ccccc1C#N)CCc1ccc(F)cc1 ZINC000055025942 345141990 /nfs/dbraw/zinc/14/19/90/345141990.db2.gz YHJKLQZEJCCBBK-UHFFFAOYSA-N 0 3 298.361 3.251 20 30 CGEDHN C=CCN(CCOC(C)(C)C)Cc1ccc(OC)cc1 ZINC000065951101 345281051 /nfs/dbraw/zinc/28/10/51/345281051.db2.gz RSLQXRSUFOGAFP-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CCCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000068386214 345351907 /nfs/dbraw/zinc/35/19/07/345351907.db2.gz OCVKUSKDQGDGBY-CQSZACIVSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCN(CCn1nc(C)cc1C)Cc1ccccc1 ZINC000068805946 345364280 /nfs/dbraw/zinc/36/42/80/345364280.db2.gz AYSWHTYLJGDZPT-UHFFFAOYSA-N 0 3 269.392 3.188 20 30 CGEDHN CN1CCN(Cc2ccc(C#N)cc2)Cc2ccccc21 ZINC000069091033 345372670 /nfs/dbraw/zinc/37/26/70/345372670.db2.gz ZNKYBMAVVQSMEQ-UHFFFAOYSA-N 0 3 277.371 3.010 20 30 CGEDHN N#CC(C(=O)c1cccc2cnccc21)c1ccccn1 ZINC000075026427 345491528 /nfs/dbraw/zinc/49/15/28/345491528.db2.gz MPSIZAXQOJFLRD-OAHLLOKOSA-N 0 3 273.295 3.120 20 30 CGEDHN N#Cc1cccnc1N[C@H](CN1CCCC1)c1ccccc1 ZINC000074159184 345461257 /nfs/dbraw/zinc/46/12/57/345461257.db2.gz NTVNIYYHANGZRL-QGZVFWFLSA-N 0 3 292.386 3.202 20 30 CGEDHN CC(C)[C@H](NCCOc1ccc(C#N)cc1)c1cccnc1 ZINC000091376301 345812766 /nfs/dbraw/zinc/81/27/66/345812766.db2.gz PRCUQSFEMCTKBU-SFHVURJKSA-N 0 3 295.386 3.319 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2Cc3ccccc32)c(F)c1 ZINC000090992457 345799774 /nfs/dbraw/zinc/79/97/74/345799774.db2.gz QEELYAGOOAWYML-OAHLLOKOSA-N 0 3 266.319 3.127 20 30 CGEDHN C=CCOc1ccccc1CNC[C@](C)(O)[C@H](C)CC ZINC000112379975 345954703 /nfs/dbraw/zinc/95/47/03/345954703.db2.gz SMYNAQZHGUMQRJ-PBHICJAKSA-N 0 3 277.408 3.138 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000121127537 346000781 /nfs/dbraw/zinc/00/07/81/346000781.db2.gz HPJJFNXFOZOEDO-CYBMUJFWSA-N 0 3 294.826 3.415 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1)Oc1ccccc1F ZINC000174602251 346244563 /nfs/dbraw/zinc/24/45/63/346244563.db2.gz FHNIBISVHLBLFK-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN CCOc1ccc([C@H](C)NCCCC#N)cc1OCC ZINC000177800417 346251532 /nfs/dbraw/zinc/25/15/32/346251532.db2.gz GXSBAPGMQODZNB-ZDUSSCGKSA-N 0 3 276.380 3.438 20 30 CGEDHN Cn1cc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1C#N ZINC000232314519 346325460 /nfs/dbraw/zinc/32/54/60/346325460.db2.gz GJWQIAKZGDPQKF-QWHCGFSZSA-N 0 3 285.313 3.107 20 30 CGEDHN COC[C@@H](CC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000593595238 347093175 /nfs/dbraw/zinc/09/31/75/347093175.db2.gz LHZAMOKXERRMQO-CQSZACIVSA-N 0 3 278.371 3.238 20 30 CGEDHN N#Cc1ncccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309581793 346469462 /nfs/dbraw/zinc/46/94/62/346469462.db2.gz LHNAZTRKLOGDEJ-INIZCTEOSA-N 0 3 292.386 3.030 20 30 CGEDHN C[C@H]1CCN(CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000383107803 346561928 /nfs/dbraw/zinc/56/19/28/346561928.db2.gz KVDMHJVZYCHQFC-KRWDZBQOSA-N 0 3 297.446 3.277 20 30 CGEDHN CSC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000399013353 346586770 /nfs/dbraw/zinc/58/67/70/346586770.db2.gz ZRODAKJNFZDLEH-UHFFFAOYSA-N 0 3 260.406 3.080 20 30 CGEDHN C#C[C@H](N[C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(F)cc1 ZINC000491710149 346629864 /nfs/dbraw/zinc/62/98/64/346629864.db2.gz SUBGNHQTOANXPM-YKJOPOJSSA-N 0 3 287.378 3.293 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccccc2)C2CCCC2)C1=O ZINC000499537912 346634306 /nfs/dbraw/zinc/63/43/06/346634306.db2.gz KQMMDRAYQKCSSO-MSOLQXFVSA-N 0 3 298.430 3.294 20 30 CGEDHN N#Cc1csc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000589199954 346789718 /nfs/dbraw/zinc/78/97/18/346789718.db2.gz ODRQJSWMKSGJRT-KGLIPLIRSA-N 0 3 290.432 3.258 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000589272752 346791947 /nfs/dbraw/zinc/79/19/47/346791947.db2.gz URZSIRGRLYUPOC-IAGOWNOFSA-N 0 3 284.403 3.256 20 30 CGEDHN Cc1nn(-c2ccc(C)cc2)cc1CNCC1(CC#N)CC1 ZINC000594525760 347189916 /nfs/dbraw/zinc/18/99/16/347189916.db2.gz ZLJGTRBNFBDYFX-UHFFFAOYSA-N 0 3 294.402 3.273 20 30 CGEDHN N#Cc1cc(F)ccc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594604381 347200893 /nfs/dbraw/zinc/20/08/93/347200893.db2.gz YUPRPVOUQRQHQI-CVEARBPZSA-N 0 3 273.355 3.126 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000594425009 347174002 /nfs/dbraw/zinc/17/40/02/347174002.db2.gz ISHKFKXVQHPKJQ-GFCCVEGCSA-N 0 3 299.296 3.055 20 30 CGEDHN CC(C)C[C@H]1CCCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594443446 347174430 /nfs/dbraw/zinc/17/44/30/347174430.db2.gz HTWRFXROAKKOIJ-CVEARBPZSA-N 0 3 293.455 3.215 20 30 CGEDHN CCSc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594446136 347174663 /nfs/dbraw/zinc/17/46/63/347174663.db2.gz QPXHOHQXPAZMKC-AWEZNQCLSA-N 0 3 291.420 3.148 20 30 CGEDHN N#CCCCCC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000594442789 347174788 /nfs/dbraw/zinc/17/47/88/347174788.db2.gz VHTIIUFOWMQNHW-QGZVFWFLSA-N 0 3 295.386 3.040 20 30 CGEDHN CCc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1CC ZINC000594450350 347175651 /nfs/dbraw/zinc/17/56/51/347175651.db2.gz YZQZVTNAVMGINC-MRXNPFEDSA-N 0 3 287.407 3.161 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCc2cccc(CO)c2)cc1 ZINC000594498950 347180179 /nfs/dbraw/zinc/18/01/79/347180179.db2.gz NYBRRNRBXDMTGN-UHFFFAOYSA-N 0 3 294.398 3.270 20 30 CGEDHN C[C@H]1CC[C@@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000594515068 347185713 /nfs/dbraw/zinc/18/57/13/347185713.db2.gz DUGCPVMQIHKCNV-GXFFZTMASA-N 0 3 264.369 3.071 20 30 CGEDHN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1ccc(C#N)cc1 ZINC000594733231 347215150 /nfs/dbraw/zinc/21/51/50/347215150.db2.gz ZTCIASZYLPFSLO-DVOMOZLQSA-N 0 3 258.365 3.166 20 30 CGEDHN Cc1c(Br)cncc1CNCC(C)(C)CC#N ZINC000594946884 347237864 /nfs/dbraw/zinc/23/78/64/347237864.db2.gz UPLGOXKSURLEPA-UHFFFAOYSA-N 0 3 296.212 3.182 20 30 CGEDHN CC[C@@H](Cc1ccc(F)cc1)NCc1nc(C#N)cs1 ZINC000594954467 347239965 /nfs/dbraw/zinc/23/99/65/347239965.db2.gz ZWAHCLILVHRJDY-ZDUSSCGKSA-N 0 3 289.379 3.265 20 30 CGEDHN N#Cc1ccc(CCNCc2cnc(C3CC3)s2)cc1 ZINC000594955464 347240164 /nfs/dbraw/zinc/24/01/64/347240164.db2.gz OZTVIMYXRWVNSI-UHFFFAOYSA-N 0 3 283.400 3.224 20 30 CGEDHN C=CCCSCCNCC1=Cc2ccccc2OC1 ZINC000594960567 347241418 /nfs/dbraw/zinc/24/14/18/347241418.db2.gz TYRJDVDORVWSHM-UHFFFAOYSA-N 0 3 275.417 3.361 20 30 CGEDHN CC[C@H]1C[C@H](NCC2(C#N)CCCCC2)CCO1 ZINC000594982100 347248823 /nfs/dbraw/zinc/24/88/23/347248823.db2.gz YPEKZCZOUDVCKO-KGLIPLIRSA-N 0 3 250.386 3.008 20 30 CGEDHN C[C@@H](O)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000595103890 347284389 /nfs/dbraw/zinc/28/43/89/347284389.db2.gz OMXJMAJDGWTNQS-IYOUNJFTSA-N 0 3 280.371 3.331 20 30 CGEDHN N#CC1(CC(=O)Nc2cccc3c2CCNC3)CCCCC1 ZINC000595253930 347285798 /nfs/dbraw/zinc/28/57/98/347285798.db2.gz LJKMOUNWGZMBML-UHFFFAOYSA-N 0 3 297.402 3.135 20 30 CGEDHN C[C@H]1N(C(=O)[C@@H](N)CCCCC#N)c2ccccc2C1(C)C ZINC000595258172 347286567 /nfs/dbraw/zinc/28/65/67/347286567.db2.gz RKKCHSBGEFGXLZ-HIFRSBDPSA-N 0 3 299.418 3.111 20 30 CGEDHN CCN(CCO[C@H]1CC1(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000595294634 347288499 /nfs/dbraw/zinc/28/84/99/347288499.db2.gz AEKNGZIIGFRIFF-DOMZBBRYSA-N 0 3 294.345 3.365 20 30 CGEDHN C[C@@H](c1ccco1)N(C)CCc1ccc(C#N)cc1 ZINC000595297858 347289517 /nfs/dbraw/zinc/28/95/17/347289517.db2.gz ZTCPOBSAFNZQOL-ZDUSSCGKSA-N 0 3 254.333 3.387 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)F)nc1 ZINC000595043533 347267203 /nfs/dbraw/zinc/26/72/03/347267203.db2.gz GSTODWHFGIFLFO-JBLDHEPKSA-N 0 3 265.307 3.362 20 30 CGEDHN Cc1ccncc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000595071668 347276514 /nfs/dbraw/zinc/27/65/14/347276514.db2.gz CLDYXGMWFZAMHT-CYBMUJFWSA-N 0 3 283.350 3.294 20 30 CGEDHN C[C@H](COc1c(F)cccc1F)N[C@H]1CCC[C@H](C#N)C1 ZINC000595073374 347277463 /nfs/dbraw/zinc/27/74/63/347277463.db2.gz WRZXHTKWWAQIJR-AGIUHOORSA-N 0 3 294.345 3.404 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](OC2CCCC2)C(F)(F)F)C1 ZINC000595074696 347278273 /nfs/dbraw/zinc/27/82/73/347278273.db2.gz UEFHTRJFDFXTCN-NQBHXWOUSA-N 0 3 290.329 3.158 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000595617447 347328340 /nfs/dbraw/zinc/32/83/40/347328340.db2.gz ZUGJFSOIQFAYSQ-CYBMUJFWSA-N 0 3 281.359 3.066 20 30 CGEDHN COc1ccc([C@@H](C)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595623947 347329817 /nfs/dbraw/zinc/32/98/17/347329817.db2.gz ZKUSGADEHPZLRZ-GJZGRUSLSA-N 0 3 272.392 3.424 20 30 CGEDHN CC(C)(NCc1ccc(CO)cc1)c1cccc(C#N)c1 ZINC000595639138 347331174 /nfs/dbraw/zinc/33/11/74/347331174.db2.gz HVCBKGBGXXGUBN-UHFFFAOYSA-N 0 3 280.371 3.075 20 30 CGEDHN C=CCN(Cc1cc(C#N)ccc1OC)C(C)(C)C ZINC000595765226 347353348 /nfs/dbraw/zinc/35/33/48/347353348.db2.gz ISFIBYDNHZIVAE-UHFFFAOYSA-N 0 3 258.365 3.353 20 30 CGEDHN N#CCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595552285 347318479 /nfs/dbraw/zinc/31/84/79/347318479.db2.gz SHMMKUSXVZMGTA-UHFFFAOYSA-N 0 3 282.391 3.121 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC)c(C#N)c1 ZINC000595844189 347366408 /nfs/dbraw/zinc/36/64/08/347366408.db2.gz BUVPHAPZQUFTCB-IYBDPMFKSA-N 0 3 268.360 3.250 20 30 CGEDHN CN(Cc1ccc(C#N)cn1)C[C@H]1CCc2ccccc21 ZINC000595877817 347369889 /nfs/dbraw/zinc/36/98/89/347369889.db2.gz KFKJNMILQRGAEX-MRXNPFEDSA-N 0 3 277.371 3.115 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000597175290 347544391 /nfs/dbraw/zinc/54/43/91/347544391.db2.gz XYOIJGZQVZXIOW-HNNXBMFYSA-N 0 3 270.376 3.377 20 30 CGEDHN C=CCCCCCNCc1cc(C)c(C(=O)OC)o1 ZINC000597156822 347541393 /nfs/dbraw/zinc/54/13/93/347541393.db2.gz LAKOKPVQLGTCNT-UHFFFAOYSA-N 0 3 265.353 3.211 20 30 CGEDHN N#CC1(c2ccc(CN3CC[C@]4(CC4(F)F)C3)cc2)CC1 ZINC000597157579 347541842 /nfs/dbraw/zinc/54/18/42/347541842.db2.gz ONULNJHMOKNSGD-INIZCTEOSA-N 0 3 288.341 3.473 20 30 CGEDHN CN(C[C@@H]1CC1(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000598550661 347664261 /nfs/dbraw/zinc/66/42/61/347664261.db2.gz MOZNSRRYNDFQKF-CVEARBPZSA-N 0 3 284.403 3.263 20 30 CGEDHN CC1(C)C[C@]1(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000598386561 347652514 /nfs/dbraw/zinc/65/25/14/347652514.db2.gz QLWIVXBUKNVFMF-YOEHRIQHSA-N 0 3 270.376 3.064 20 30 CGEDHN Cc1cc(CNCCSCc2ccccc2C#N)ccn1 ZINC000598952614 347700242 /nfs/dbraw/zinc/70/02/42/347700242.db2.gz NSBHQMPUMBPTEP-UHFFFAOYSA-N 0 3 297.427 3.285 20 30 CGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@H]1CCCCO1 ZINC000599052662 347711078 /nfs/dbraw/zinc/71/10/78/347711078.db2.gz CDRAMKYBGZSXBD-UONOGXRCSA-N 0 3 250.386 3.008 20 30 CGEDHN CC(C)CC[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000599069542 347713771 /nfs/dbraw/zinc/71/37/71/347713771.db2.gz UKFIMDUZSDYECS-OCCSQVGLSA-N 0 3 278.371 3.145 20 30 CGEDHN CC[C@H]1c2ccsc2CCN1C[C@H](O)CC(C)(C)C#N ZINC000598585832 347666925 /nfs/dbraw/zinc/66/69/25/347666925.db2.gz KZOQUCIZYLWTKE-OCCSQVGLSA-N 0 3 292.448 3.358 20 30 CGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598589144 347667568 /nfs/dbraw/zinc/66/75/68/347667568.db2.gz RAFOYFRAOCPIRG-WCQYABFASA-N 0 3 295.452 3.054 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598613594 347671298 /nfs/dbraw/zinc/67/12/98/347671298.db2.gz KGOHLIHSHBDRNQ-QGZVFWFLSA-N 0 3 286.419 3.365 20 30 CGEDHN COC[C@H](C)N(CCCC#N)[C@@H]1CCc2ccccc21 ZINC000599683571 347765935 /nfs/dbraw/zinc/76/59/35/347765935.db2.gz RGSUBACYBSXJCU-WMLDXEAASA-N 0 3 272.392 3.315 20 30 CGEDHN Cc1ccc(CN2CCSC(C)(C)C2)cc1C#N ZINC000599307794 347734595 /nfs/dbraw/zinc/73/45/95/347734595.db2.gz ZOPUKDZXQQGEQD-UHFFFAOYSA-N 0 3 260.406 3.194 20 30 CGEDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1C#N ZINC000599348385 347738316 /nfs/dbraw/zinc/73/83/16/347738316.db2.gz JZOKKMPLJTWBHZ-ZDUSSCGKSA-N 0 3 294.354 3.446 20 30 CGEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599355588 347738811 /nfs/dbraw/zinc/73/88/11/347738811.db2.gz BOTSNXYAXFVEKQ-WFASDCNBSA-N 0 3 294.345 3.060 20 30 CGEDHN Cc1ccc(CN2CCSC[C@@H]2C2CC2)cc1C#N ZINC000599432710 347744743 /nfs/dbraw/zinc/74/47/43/347744743.db2.gz ANWYJDJMHNBCJV-MRXNPFEDSA-N 0 3 272.417 3.194 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000599526473 347750576 /nfs/dbraw/zinc/75/05/76/347750576.db2.gz MMPARYYFDQRVLB-LBPRGKRZSA-N 0 3 276.336 3.001 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000599526701 347750774 /nfs/dbraw/zinc/75/07/74/347750774.db2.gz PSLAHECMJURBJZ-AWEZNQCLSA-N 0 3 265.360 3.209 20 30 CGEDHN N#Cc1cccc(OCCN2CCCC(F)(F)CC2)c1 ZINC000599551226 347753757 /nfs/dbraw/zinc/75/37/57/347753757.db2.gz IUCOPUXDDMYWDV-UHFFFAOYSA-N 0 3 280.318 3.058 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(O)cc3)C2)cc1F ZINC000600214003 347793889 /nfs/dbraw/zinc/79/38/89/347793889.db2.gz JXGADIQPYQSBQU-MRXNPFEDSA-N 0 3 296.345 3.392 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1F)C1CC(F)(F)C1 ZINC000600131657 347783040 /nfs/dbraw/zinc/78/30/40/347783040.db2.gz GGNNAIDRUWFHPE-SECBINFHSA-N 0 3 268.282 3.221 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000600186070 347791065 /nfs/dbraw/zinc/79/10/65/347791065.db2.gz ODEBSEXDQCIEQG-LBPRGKRZSA-N 0 3 277.364 3.027 20 30 CGEDHN Cc1ccc(-c2ccc([C@H]3CNCCO3)cc2)cc1C#N ZINC000600794266 347837330 /nfs/dbraw/zinc/83/73/30/347837330.db2.gz QYLRKXODLCBWPM-GOSISDBHSA-N 0 3 278.355 3.195 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCc3ncccc32)c1 ZINC000601263350 347886636 /nfs/dbraw/zinc/88/66/36/347886636.db2.gz JNVJVSLXFXMTOV-KRWDZBQOSA-N 0 3 263.344 3.120 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000601286979 347888826 /nfs/dbraw/zinc/88/88/26/347888826.db2.gz COAJULIBISKSJD-IXPVHAAZSA-N 0 3 296.773 3.184 20 30 CGEDHN N#CCCN1CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC000601316303 347890936 /nfs/dbraw/zinc/89/09/36/347890936.db2.gz JXLPLFBVJQRIAW-UHFFFAOYSA-N 0 3 289.467 3.411 20 30 CGEDHN CC(C)(CNCc1cccc(F)c1C#N)[C@@H]1CCCCO1 ZINC000602009939 347932509 /nfs/dbraw/zinc/93/25/09/347932509.db2.gz BSNOSWJODWQQPD-INIZCTEOSA-N 0 3 290.382 3.382 20 30 CGEDHN N#Cc1c(F)cccc1CNCCC[C@H]1CCCCO1 ZINC000602017128 347933276 /nfs/dbraw/zinc/93/32/76/347933276.db2.gz NGHFTTGMGDPTPU-CQSZACIVSA-N 0 3 276.355 3.136 20 30 CGEDHN CN(C)Cc1cccc(NCCOc2cccc(C#N)c2)c1 ZINC000601935322 347925630 /nfs/dbraw/zinc/92/56/30/347925630.db2.gz SGELYQNFPJQTJE-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN CCCCOc1ncccc1CNC1CCC(C#N)CC1 ZINC000602527972 347976513 /nfs/dbraw/zinc/97/65/13/347976513.db2.gz KYSSVNYBGPRKAN-UHFFFAOYSA-N 0 3 287.407 3.432 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000602439062 347958080 /nfs/dbraw/zinc/95/80/80/347958080.db2.gz XBYHFLODZIXOHV-CQSZACIVSA-N 0 3 291.826 3.402 20 30 CGEDHN N#Cc1cccc(CNCC2(c3ccc(F)cc3)CCC2)n1 ZINC000602529085 347976828 /nfs/dbraw/zinc/97/68/28/347976828.db2.gz SVCJWHAKTSOYNF-UHFFFAOYSA-N 0 3 295.361 3.304 20 30 CGEDHN CN(CCc1ccc(Cl)cc1)Cc1cccc(C#N)n1 ZINC000602456796 347961353 /nfs/dbraw/zinc/96/13/53/347961353.db2.gz YNYXZSTWHZFTJN-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN Cc1cccc(C(C)(C)CNCc2cccc(C#N)n2)c1 ZINC000602530537 347976918 /nfs/dbraw/zinc/97/69/18/347976918.db2.gz GMLTUBSOTVLIAG-UHFFFAOYSA-N 0 3 279.387 3.329 20 30 CGEDHN C[C@H](CCC#N)CN(C)Cc1cc(Br)cn1C ZINC000602485630 347967802 /nfs/dbraw/zinc/96/78/02/347967802.db2.gz OMJYRZGGEAPDFR-LLVKDONJSA-N 0 3 298.228 3.159 20 30 CGEDHN C[C@@H](NC1CCC(C#N)CC1)c1cn(-c2ccccc2)nn1 ZINC000602570634 347985130 /nfs/dbraw/zinc/98/51/30/347985130.db2.gz UPPIQIJPJSFGEG-WLYUNCDWSA-N 0 3 295.390 3.000 20 30 CGEDHN C[C@H]1CCc2ccccc2[C@@H]1NCc1cccc(C#N)n1 ZINC000602577685 347986720 /nfs/dbraw/zinc/98/67/20/347986720.db2.gz ITJPTZZHBKNHCX-SCLBCKFNSA-N 0 3 277.371 3.366 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000602587987 347989345 /nfs/dbraw/zinc/98/93/45/347989345.db2.gz KOIBNPSRVXQOML-HZPDHXFCSA-N 0 3 255.365 3.012 20 30 CGEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000602617736 347994488 /nfs/dbraw/zinc/99/44/88/347994488.db2.gz ZRSRLUVFTJNPPW-DAXOMENPSA-N 0 3 272.392 3.327 20 30 CGEDHN C[C@@H](C1CCCCC1)N(C)Cc1cccc(C#N)n1 ZINC000602637178 347998489 /nfs/dbraw/zinc/99/84/89/347998489.db2.gz MDBJTACTYFLVQN-ZDUSSCGKSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cccc(C#N)n1 ZINC000602686785 348009153 /nfs/dbraw/zinc/00/91/53/348009153.db2.gz DQSUPOUMXGYSGF-ZDUSSCGKSA-N 0 3 283.350 3.155 20 30 CGEDHN CC(C)O[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000602693704 348010625 /nfs/dbraw/zinc/01/06/25/348010625.db2.gz IETHWBSHRLHXNR-USXIJHARSA-N 0 3 272.392 3.435 20 30 CGEDHN C[C@@H](CCC#N)CN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000602720399 348017185 /nfs/dbraw/zinc/01/71/85/348017185.db2.gz ZOWQILLNJRYEBV-HOCLYGCPSA-N 0 3 288.391 3.373 20 30 CGEDHN CCn1nc(C)c(CN(C)CC(C)(C)CCC#N)c1C ZINC000602728043 348019332 /nfs/dbraw/zinc/01/93/32/348019332.db2.gz HXFISFNVHMBMHV-UHFFFAOYSA-N 0 3 276.428 3.282 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1cc(C)c(C(=O)OC)o1 ZINC000602744129 348023278 /nfs/dbraw/zinc/02/32/78/348023278.db2.gz OYYARTLQSXMOFO-ZYHUDNBSSA-N 0 3 265.353 3.065 20 30 CGEDHN CCN(Cc1ccc(OC)c(OC)c1)CC1(CC#N)CC1 ZINC000602761363 348024652 /nfs/dbraw/zinc/02/46/52/348024652.db2.gz YOQTYFZMKHKRCA-UHFFFAOYSA-N 0 3 288.391 3.220 20 30 CGEDHN COc1ccccc1C[C@@H]1CCCN1CC1(CC#N)CC1 ZINC000602765342 348025658 /nfs/dbraw/zinc/02/56/58/348025658.db2.gz JZLYUJUHLDMIHX-INIZCTEOSA-N 0 3 284.403 3.396 20 30 CGEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CC1(CC#N)CC1 ZINC000602807191 348032750 /nfs/dbraw/zinc/03/27/50/348032750.db2.gz QUMIKHNMXVWSFK-WDEREUQCSA-N 0 3 260.303 3.343 20 30 CGEDHN C[C@@H]1CN(CC/C=C\c2ccccc2)C[C@H](C)N1CC#N ZINC000602848208 348036309 /nfs/dbraw/zinc/03/63/09/348036309.db2.gz FLXXFGSKXWHXRR-RBHTYBDBSA-N 0 3 283.419 3.008 20 30 CGEDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CC1(CC#N)CC1 ZINC000602846097 348036647 /nfs/dbraw/zinc/03/66/47/348036647.db2.gz LSIFCLKIXBUUIO-ZIAGYGMSSA-N 0 3 292.423 3.122 20 30 CGEDHN CN(CCCCC(=O)OC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602979474 348050404 /nfs/dbraw/zinc/05/04/04/348050404.db2.gz DSNIDBMOFNERJM-KBPBESRZSA-N 0 3 280.412 3.122 20 30 CGEDHN C=C(C)CN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000605187373 348150042 /nfs/dbraw/zinc/15/00/42/348150042.db2.gz VYYDXTYVZTYWKJ-CYBMUJFWSA-N 0 3 273.298 3.079 20 30 CGEDHN CC#CCN(C)CCCOc1ccc(Cl)cc1 ZINC000607727131 348258143 /nfs/dbraw/zinc/25/81/43/348258143.db2.gz GSOWMJYBDPKDSN-UHFFFAOYSA-N 0 3 251.757 3.064 20 30 CGEDHN Cc1ccc2c(CCNC[C@@H](C#N)CCC#N)c[nH]c2c1 ZINC000609574545 348347436 /nfs/dbraw/zinc/34/74/36/348347436.db2.gz QUQCTLVAKYEPPO-CQSZACIVSA-N 0 3 280.375 3.052 20 30 CGEDHN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C(C)C#N ZINC000609920686 348358062 /nfs/dbraw/zinc/35/80/62/348358062.db2.gz ZSZNXJXAEFMISV-CQSZACIVSA-N 0 3 286.419 3.419 20 30 CGEDHN CCO[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000610002221 348359901 /nfs/dbraw/zinc/35/99/01/348359901.db2.gz QEPZXZDFYFCMEU-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN CC[C@H](C)[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610993347 348414841 /nfs/dbraw/zinc/41/48/41/348414841.db2.gz NOTIHJYOGLWNHR-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)CC[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994169 348416306 /nfs/dbraw/zinc/41/63/06/348416306.db2.gz OULMGJRSBOFTDG-MRXNPFEDSA-N 0 3 257.381 3.354 20 30 CGEDHN CCC[C@@H](C)[C@@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994540 348416337 /nfs/dbraw/zinc/41/63/37/348416337.db2.gz SYIPQSCAQHXVDC-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN CCC[C@@]1(C)CCCN(Cc2ccnc(C#N)c2)C1 ZINC000610993750 348416675 /nfs/dbraw/zinc/41/66/75/348416675.db2.gz HCZLPJHJXQUGAN-INIZCTEOSA-N 0 3 257.381 3.355 20 30 CGEDHN C[C@@H](NCC1(CO)CCCCC1)c1ccc(C#N)c(F)c1 ZINC000611465947 348453907 /nfs/dbraw/zinc/45/39/07/348453907.db2.gz USAVDYAKNQPZNC-CYBMUJFWSA-N 0 3 290.382 3.291 20 30 CGEDHN N#CCCCN[C@H](CN1CCCCC1)c1ccccc1 ZINC000611937983 348481640 /nfs/dbraw/zinc/48/16/40/348481640.db2.gz DEWAUXPNCUEDFP-QGZVFWFLSA-N 0 3 271.408 3.107 20 30 CGEDHN C[C@@H](NCC1(O)CCC(C)CC1)c1ccc(C#N)cc1F ZINC000612190161 348500430 /nfs/dbraw/zinc/50/04/30/348500430.db2.gz TZVFRBUTKHQNRT-UIORMTCPSA-N 0 3 290.382 3.289 20 30 CGEDHN CCOc1ccc2c(c1)[C@H](N[C@@H]1CC[C@@H](C#N)C1)CCO2 ZINC000613666884 348626405 /nfs/dbraw/zinc/62/64/05/348626405.db2.gz VEOKAFYASXTASM-XJKCOSOUSA-N 0 3 286.375 3.191 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CSCc3ccccc32)C1 ZINC000613666870 348626421 /nfs/dbraw/zinc/62/64/21/348626421.db2.gz SLGNBRLKWDAPKY-KYOSRNDESA-N 0 3 258.390 3.256 20 30 CGEDHN CCOc1ccc2c(c1)[C@H](N[C@H]1CC[C@H](C#N)C1)CCO2 ZINC000613666882 348626739 /nfs/dbraw/zinc/62/67/39/348626739.db2.gz VEOKAFYASXTASM-HEHGZKQESA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)CC)C(C)C ZINC000616088236 348785548 /nfs/dbraw/zinc/78/55/48/348785548.db2.gz ONIWOIIMFOMABO-HOTGVXAUSA-N 0 3 295.471 3.125 20 30 CGEDHN CO[C@@H]1CCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358561263 233156010 /nfs/dbraw/zinc/15/60/10/233156010.db2.gz GDQVPSVBFDIXMZ-DETPVDSQSA-N 0 3 276.355 3.163 20 30 CGEDHN Cc1cc(CN[C@H]2CN(C)Cc3ccccc32)ccc1C#N ZINC000618195230 349061444 /nfs/dbraw/zinc/06/14/44/349061444.db2.gz RSQGCZFVMIGWBK-IBGZPJMESA-N 0 3 291.398 3.143 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCC3(CCO3)CC2)cc1 ZINC000619723949 349278910 /nfs/dbraw/zinc/27/89/10/349278910.db2.gz FMYBIPDMQYPQRY-UHFFFAOYSA-N 0 3 284.403 3.243 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccsc1 ZINC000619783583 349285250 /nfs/dbraw/zinc/28/52/50/349285250.db2.gz SEAGLUJGQGTNPN-GFCCVEGCSA-N 0 3 299.399 3.299 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ncc(C)c(OC)c2C)C1 ZINC000625699544 350197875 /nfs/dbraw/zinc/19/78/75/350197875.db2.gz AIHQBYNPHUJGAI-AWEZNQCLSA-N 0 3 260.381 3.105 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000625703231 350199498 /nfs/dbraw/zinc/19/94/98/350199498.db2.gz MJKIUGJTESJOTJ-AWEZNQCLSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800547 350215776 /nfs/dbraw/zinc/21/57/76/350215776.db2.gz KHIZRATYQUTALW-QGZVFWFLSA-N 0 3 271.360 3.063 20 30 CGEDHN C(#Cc1ccccc1)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777846 350212476 /nfs/dbraw/zinc/21/24/76/350212476.db2.gz JUGPNALOVLNLMV-CVEARBPZSA-N 0 3 257.402 3.008 20 30 CGEDHN C=CCC1(NCc2ncnn2CCC)CCCCC1 ZINC000625934779 350233558 /nfs/dbraw/zinc/23/35/58/350233558.db2.gz ZMZFABLSSLZIKR-UHFFFAOYSA-N 0 3 262.401 3.057 20 30 CGEDHN C=C(C)COc1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1OC ZINC000628409606 350531289 /nfs/dbraw/zinc/53/12/89/350531289.db2.gz WFIGZBCTPGLEST-GASCZTMLSA-N 0 3 273.376 3.102 20 30 CGEDHN C[C@H]1SCCN(Cc2ccc(CC#N)cc2)[C@@H]1C ZINC000343550832 335209039 /nfs/dbraw/zinc/20/90/39/335209039.db2.gz LJTSMXSEEDKCKX-CHWSQXEVSA-N 0 3 260.406 3.078 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC000629999702 350796212 /nfs/dbraw/zinc/79/62/12/350796212.db2.gz NKKOUXOPHIFJQY-UHFFFAOYSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC000630945115 350913404 /nfs/dbraw/zinc/91/34/04/350913404.db2.gz ZIZCXRVMEHEBPR-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCC[C@H](N[C@H](CCC)CCO)c1ccco1 ZINC000631669081 351113150 /nfs/dbraw/zinc/11/31/50/351113150.db2.gz PADQROMSCDACFJ-KGLIPLIRSA-N 0 3 251.370 3.428 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000633096062 351242520 /nfs/dbraw/zinc/24/25/20/351242520.db2.gz AASYAVMHBFVFBF-WBVHZDCISA-N 0 3 298.430 3.122 20 30 CGEDHN CN(C)c1ccccc1CN(C)Cc1ccc(C#N)cc1 ZINC000122187462 187019871 /nfs/dbraw/zinc/01/98/71/187019871.db2.gz CEPVEXISZVQRKG-UHFFFAOYSA-N 0 3 279.387 3.256 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cc1F ZINC000124254695 187128425 /nfs/dbraw/zinc/12/84/25/187128425.db2.gz GLPAEQFWKXPRLO-XJKSGUPXSA-N 0 3 290.382 3.213 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)Nc2cscc2C)CC1 ZINC000123610395 187101322 /nfs/dbraw/zinc/10/13/22/187101322.db2.gz USPOLUCQZMLILG-UHFFFAOYSA-N 0 3 293.436 3.219 20 30 CGEDHN CC(C)[C@@H]1N(C[C@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000291932749 198109498 /nfs/dbraw/zinc/10/94/98/198109498.db2.gz OPGCTOZEVUAEQD-IRXDYDNUSA-N 0 3 284.403 3.102 20 30 CGEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1C#N ZINC000362959761 233952775 /nfs/dbraw/zinc/95/27/75/233952775.db2.gz DQETYASQLOQRJS-UHFFFAOYSA-N 0 3 275.355 3.370 20 30 CGEDHN C#CCCCCN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271548011 191204944 /nfs/dbraw/zinc/20/49/44/191204944.db2.gz VIBZWAMZCJSYGE-HNNXBMFYSA-N 0 3 296.418 3.338 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)o1 ZINC000157379153 188313640 /nfs/dbraw/zinc/31/36/40/188313640.db2.gz JQNLUZZOTJGLGY-YOEHRIQHSA-N 0 3 282.343 3.161 20 30 CGEDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCC(C)(C)C#N ZINC000157440138 188317704 /nfs/dbraw/zinc/31/77/04/188317704.db2.gz IVBSQVRMFCAPMA-CQSZACIVSA-N 0 3 297.406 3.200 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000332079157 283067433 /nfs/dbraw/zinc/06/74/33/283067433.db2.gz ZXQVBSYOWFGIHV-YWPYICTPSA-N 0 3 256.349 3.051 20 30 CGEDHN C[C@@H]1CC[C@H](C)CN1CCOc1ccccc1C#N ZINC000088704532 138342732 /nfs/dbraw/zinc/34/27/32/138342732.db2.gz XBVVMQWAFTYMEB-UONOGXRCSA-N 0 3 258.365 3.057 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)s1 ZINC000124517252 138375768 /nfs/dbraw/zinc/37/57/68/138375768.db2.gz GIGOFHIEFHBIJJ-LBPRGKRZSA-N 0 3 286.400 3.388 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC000129958811 138398797 /nfs/dbraw/zinc/39/87/97/138398797.db2.gz TXBPGNBFPVOBHU-UONOGXRCSA-N 0 3 278.421 3.255 20 30 CGEDHN CC(C(=O)Nc1ccc(C#N)cc1Cl)C(F)(F)F ZINC000336114741 212921750 /nfs/dbraw/zinc/92/17/50/212921750.db2.gz XYBAMEUOESSPBW-LURJTMIESA-N 0 3 276.645 3.349 20 30 CGEDHN CCC[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000297445959 200192354 /nfs/dbraw/zinc/19/23/54/200192354.db2.gz WOOCANVLESMMKZ-SMDDNHRTSA-N 0 3 264.344 3.163 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298203881 200358973 /nfs/dbraw/zinc/35/89/73/200358973.db2.gz CQZBYFVUMBYAFM-CABCVRRESA-N 0 3 292.329 3.044 20 30 CGEDHN N#Cc1cccc(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000177193792 189035759 /nfs/dbraw/zinc/03/57/59/189035759.db2.gz XCSYSJSTDRIBPL-JKSUJKDBSA-N 0 3 272.417 3.418 20 30 CGEDHN CC1(CNCc2ccc(C#N)o2)Cc2ccccc2C1 ZINC000179432934 189194431 /nfs/dbraw/zinc/19/44/31/189194431.db2.gz AZVDBTSPEORFGA-UHFFFAOYSA-N 0 3 266.344 3.046 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](CC)c1ccc(F)cc1F ZINC000179632776 189208796 /nfs/dbraw/zinc/20/87/96/189208796.db2.gz DKPXUDWDCNCCAE-IUODEOHRSA-N 0 3 269.335 3.333 20 30 CGEDHN CC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179872266 189225092 /nfs/dbraw/zinc/22/50/92/189225092.db2.gz WNWKDKCJMPRFEL-UHFFFAOYSA-N 0 3 294.402 3.191 20 30 CGEDHN C[C@@H]1CCCN(CCNc2cc(Cl)ccc2C#N)C1 ZINC000301528526 201049849 /nfs/dbraw/zinc/04/98/49/201049849.db2.gz OGZQVEUSGOOKPZ-GFCCVEGCSA-N 0 3 277.799 3.355 20 30 CGEDHN N#Cc1ccc(NC[C@H](c2cccs2)N2CCCC2)cn1 ZINC000301584976 201081732 /nfs/dbraw/zinc/08/17/32/201081732.db2.gz OOSKWMQKXIQIJQ-OAHLLOKOSA-N 0 3 298.415 3.264 20 30 CGEDHN CC[C@@H](C)[C@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000183057788 189344543 /nfs/dbraw/zinc/34/45/43/189344543.db2.gz XDIOGUWXCAAQDI-MNOVXSKESA-N 0 3 293.798 3.174 20 30 CGEDHN C[C@@]12CN(Cc3ccc(F)c(C#N)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451366261 240285887 /nfs/dbraw/zinc/28/58/87/240285887.db2.gz IHZYLYCJLAGDLE-VUNQQRPYSA-N 0 3 282.362 3.341 20 30 CGEDHN C=CCCCN[C@@H](CO)c1cccc(Cl)c1F ZINC000337285290 376191659 /nfs/dbraw/zinc/19/16/59/376191659.db2.gz ZSJACHIPDVJGBL-LBPRGKRZSA-N 0 3 257.736 3.068 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000121052108 370825609 /nfs/dbraw/zinc/82/56/09/370825609.db2.gz UFBFWZSJPFQMLW-ZBFHGGJFSA-N 0 3 270.376 3.331 20 30 CGEDHN CN(C)Cc1cccc(NCc2cccc(C#N)c2)c1 ZINC000035275951 369003389 /nfs/dbraw/zinc/00/33/89/369003389.db2.gz WDIHIVQHJPVLTN-UHFFFAOYSA-N 0 3 265.360 3.232 20 30 CGEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041520035 369189476 /nfs/dbraw/zinc/18/94/76/369189476.db2.gz BFMPWLYWBUFQDH-ZDUSSCGKSA-N 0 3 286.356 3.340 20 30 CGEDHN C=C(C)COc1cc(CN2CCCC2)ccc1OC ZINC000127270637 370950490 /nfs/dbraw/zinc/95/04/90/370950490.db2.gz JJHTXPYTBYLMFH-UHFFFAOYSA-N 0 3 261.365 3.246 20 30 CGEDHN Cc1occc1CN(C)CCCOc1cccc(C#N)c1 ZINC000048912776 369373188 /nfs/dbraw/zinc/37/31/88/369373188.db2.gz IZBBANGUKQKXIQ-UHFFFAOYSA-N 0 3 284.359 3.361 20 30 CGEDHN CCN1CCC[C@@H]1CNc1cccc(Cl)c1C#N ZINC000048935794 369374772 /nfs/dbraw/zinc/37/47/72/369374772.db2.gz JXCLMSGVMASEQZ-LLVKDONJSA-N 0 3 263.772 3.108 20 30 CGEDHN N#CCCCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000050273332 369434558 /nfs/dbraw/zinc/43/45/58/369434558.db2.gz VTUFTCJPXBQIMS-UHFFFAOYSA-N 0 3 293.414 3.261 20 30 CGEDHN C=CCCN(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000276111325 193217383 /nfs/dbraw/zinc/21/73/83/193217383.db2.gz HVXBAJNXFXEIGZ-UHFFFAOYSA-N 0 3 259.328 3.224 20 30 CGEDHN N#CCCCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128713516 370965361 /nfs/dbraw/zinc/96/53/61/370965361.db2.gz UMNVLEDVHVSLLF-ZDUSSCGKSA-N 0 3 278.783 3.487 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCCCC1 ZINC000057683926 369545369 /nfs/dbraw/zinc/54/53/69/369545369.db2.gz LVHMUSFUZSZASF-MRXNPFEDSA-N 0 3 270.376 3.162 20 30 CGEDHN C=CCN(CCc1ccnn1CC)Cc1cccc(C#N)c1 ZINC000276282500 193270524 /nfs/dbraw/zinc/27/05/24/193270524.db2.gz GELABCFFTWGJGT-UHFFFAOYSA-N 0 3 294.402 3.005 20 30 CGEDHN N#Cc1ccc(OCCN2CCCCC2)cc1Cl ZINC000061855522 369608844 /nfs/dbraw/zinc/60/88/44/369608844.db2.gz BHTIYPJZGZUCQH-UHFFFAOYSA-N 0 3 264.756 3.076 20 30 CGEDHN C=CCC[C@H](NCC(C)(C)C(=O)NCC)c1ccco1 ZINC000276441229 193331946 /nfs/dbraw/zinc/33/19/46/193331946.db2.gz KJNWEVVBAYKPLY-ZDUSSCGKSA-N 0 3 278.396 3.039 20 30 CGEDHN C=CCC[C@H](NC[C@@H](C)C[C@@H](C)O)c1ccco1 ZINC000276511572 193363032 /nfs/dbraw/zinc/36/30/32/193363032.db2.gz ZLHAHCKPTGWNMS-MJBXVCDLSA-N 0 3 251.370 3.284 20 30 CGEDHN C=CCC[C@@H](NCCCn1ccnc1)c1ccco1 ZINC000276475762 193346634 /nfs/dbraw/zinc/34/66/34/193346634.db2.gz QPHVPWDCCLRYOY-CQSZACIVSA-N 0 3 259.353 3.163 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1CCCC1 ZINC000070158355 369784101 /nfs/dbraw/zinc/78/41/01/369784101.db2.gz DSLQLYOZLRIEQY-ZDUSSCGKSA-N 0 3 285.391 3.007 20 30 CGEDHN COC[C@@H](N[C@H](CCC#N)c1ccccc1)C(C)C ZINC000090665659 370063048 /nfs/dbraw/zinc/06/30/48/370063048.db2.gz MONRGTNFJSBOON-HZPDHXFCSA-N 0 3 260.381 3.292 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(F)cc1N(C)C ZINC000090883755 370070460 /nfs/dbraw/zinc/07/04/60/370070460.db2.gz LGGRHVHIWSEXDD-CYBMUJFWSA-N 0 3 280.387 3.135 20 30 CGEDHN CC[C@@H](CC#N)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000091842883 370075996 /nfs/dbraw/zinc/07/59/96/370075996.db2.gz VXUZWVLUKQYUKX-HSBZDZAISA-N 0 3 295.427 3.104 20 30 CGEDHN C=CC1CCN(Cc2ccc(OCCOC)cc2)CC1 ZINC000093359315 370119236 /nfs/dbraw/zinc/11/92/36/370119236.db2.gz KGWPWDOQLFIEBO-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN CN(CCc1cccs1)Cc1cc(C#N)ccc1F ZINC000111323459 370397677 /nfs/dbraw/zinc/39/76/77/370397677.db2.gz SCWBBQODQANAQV-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN C[C@@H](NCCN(C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512640893 245046100 /nfs/dbraw/zinc/04/61/00/245046100.db2.gz BGAKFOBDOIAEKI-CQSZACIVSA-N 0 3 297.377 3.484 20 30 CGEDHN C[C@H]1SCCN(CCCC#N)[C@@H]1c1ccccc1 ZINC000118422165 370617137 /nfs/dbraw/zinc/61/71/37/370617137.db2.gz LUEXPMIJBCLOBT-HIFRSBDPSA-N 0 3 260.406 3.469 20 30 CGEDHN C=CCCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000132485817 371177819 /nfs/dbraw/zinc/17/78/19/371177819.db2.gz OYTJBBCTRLPZOU-INIZCTEOSA-N 0 3 287.407 3.239 20 30 CGEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)c1 ZINC000134228639 371313379 /nfs/dbraw/zinc/31/33/79/371313379.db2.gz RRKKLFOAHVDUOT-KUHUBIRLSA-N 0 3 292.382 3.382 20 30 CGEDHN C[C@H](CCNCc1ccc(C#N)o1)c1ccccc1 ZINC000135169421 371396942 /nfs/dbraw/zinc/39/69/42/371396942.db2.gz LKHZPLJMXUVABF-CYBMUJFWSA-N 0 3 254.333 3.435 20 30 CGEDHN C=C[C@H](C)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000152757996 371721898 /nfs/dbraw/zinc/72/18/98/371721898.db2.gz IVUBYDATFPHMOI-LBPRGKRZSA-N 0 3 285.343 3.397 20 30 CGEDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000421896455 371702634 /nfs/dbraw/zinc/70/26/34/371702634.db2.gz ZOKYLUSREPYGTC-NSHDSACASA-N 0 3 299.399 3.429 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)s1 ZINC000337318826 214004230 /nfs/dbraw/zinc/00/42/30/214004230.db2.gz YOECFBFKMFRMBN-VXGBXAGGSA-N 0 3 286.347 3.260 20 30 CGEDHN C#CCN(Cc1cnc2c(cnn2C(C)C)c1)C1CCCC1 ZINC000155743501 371941277 /nfs/dbraw/zinc/94/12/77/371941277.db2.gz NEKVNLGRUYNKKM-UHFFFAOYSA-N 0 3 296.418 3.390 20 30 CGEDHN CCc1cc(N[C@@H]2CC[C@H](C#N)C2)c2ccccc2n1 ZINC000425270262 372117808 /nfs/dbraw/zinc/11/78/08/372117808.db2.gz FRLGOCDKXLGPNS-GXTWGEPZSA-N 0 3 265.360 3.323 20 30 CGEDHN C=C(C)CN(CC)Cc1cccc(OCCOC)c1 ZINC000158992118 372097249 /nfs/dbraw/zinc/09/72/49/372097249.db2.gz QZIYRERDCHBRJJ-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C#CCCOc1ccc(CN(C(C)C)[C@@H]2CCOC2)cc1 ZINC000291233568 372143782 /nfs/dbraw/zinc/14/37/82/372143782.db2.gz KOFIDKONRXFERB-QGZVFWFLSA-N 0 3 287.403 3.088 20 30 CGEDHN C=CCc1cc(CN(C)[C@@H]2CC2(C)C)cc(OC)c1O ZINC000426558824 372165026 /nfs/dbraw/zinc/16/50/26/372165026.db2.gz WDHKGUJSUTYVCO-OAHLLOKOSA-N 0 3 275.392 3.360 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1cc(-n2ccnc2)cs1 ZINC000426559772 372165394 /nfs/dbraw/zinc/16/53/94/372165394.db2.gz NGEZUUVGXMEEGX-ZDUSSCGKSA-N 0 3 273.405 3.474 20 30 CGEDHN C=C(C)CCN(CC1CC1)[C@](C)(CC)C(=O)OC ZINC000425505864 372129567 /nfs/dbraw/zinc/12/95/67/372129567.db2.gz BSEIXTQMPITTPU-OAHLLOKOSA-N 0 3 253.386 3.006 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc(C#N)ccc1F ZINC000344292711 217136015 /nfs/dbraw/zinc/13/60/15/217136015.db2.gz GCRWJTMYUBIIIV-JKSUJKDBSA-N 0 3 290.382 3.381 20 30 CGEDHN CC(C)[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCCO1 ZINC000293158653 372313583 /nfs/dbraw/zinc/31/35/83/372313583.db2.gz ORPTVGJFVYCLMY-PBHICJAKSA-N 0 3 272.392 3.366 20 30 CGEDHN Oc1cccc2c1C[C@@H](NCC#Cc1ccccc1Cl)C2 ZINC000429322816 372352171 /nfs/dbraw/zinc/35/21/71/372352171.db2.gz OYEINCBYLIDEDE-HNNXBMFYSA-N 0 3 297.785 3.154 20 30 CGEDHN CC(C)CCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000429347752 372354378 /nfs/dbraw/zinc/35/43/78/372354378.db2.gz UQSZGXYRSOGDQW-SFHVURJKSA-N 0 3 285.435 3.305 20 30 CGEDHN C=CCCC[C@@H](C)N(C)Cc1cn2c(n1)CCCC2 ZINC000429538666 372373283 /nfs/dbraw/zinc/37/32/83/372373283.db2.gz IKVOAKUTTKYNNJ-CQSZACIVSA-N 0 3 261.413 3.396 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)Cc1ccccc1 ZINC000293489917 372394273 /nfs/dbraw/zinc/39/42/73/372394273.db2.gz YVNHUFKCROSDRU-DNVCBOLYSA-N 0 3 294.398 3.155 20 30 CGEDHN CN(C)[C@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000431523329 372483413 /nfs/dbraw/zinc/48/34/13/372483413.db2.gz KYOUKDHDVXUUJF-QGZVFWFLSA-N 0 3 293.370 3.190 20 30 CGEDHN N#Cc1ccc(CNCCc2c[nH]c3ccc(F)cc23)o1 ZINC000344395811 217181237 /nfs/dbraw/zinc/18/12/37/217181237.db2.gz VVVFCCKYFYTYFJ-UHFFFAOYSA-N 0 3 283.306 3.104 20 30 CGEDHN C=CC[C@H](C)NCc1c(Cl)cccc1N1CCOCC1 ZINC000293702456 372456174 /nfs/dbraw/zinc/45/61/74/372456174.db2.gz XEQHRQAOWBKVTK-ZDUSSCGKSA-N 0 3 294.826 3.231 20 30 CGEDHN C=CCOCCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000293732261 372465120 /nfs/dbraw/zinc/46/51/20/372465120.db2.gz GSMHJJMXBRGUTR-INIZCTEOSA-N 0 3 291.366 3.066 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccs1 ZINC000433111400 372581378 /nfs/dbraw/zinc/58/13/78/372581378.db2.gz UNEGRSLJYFJXDU-AWEZNQCLSA-N 0 3 284.384 3.137 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000294287037 372638808 /nfs/dbraw/zinc/63/88/08/372638808.db2.gz MPEUWZCFGMXGRF-NEPJUHHUSA-N 0 3 259.324 3.176 20 30 CGEDHN CO[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000295150969 372696492 /nfs/dbraw/zinc/69/64/92/372696492.db2.gz AGKOVWLMWGCGKI-BBRMVZONSA-N 0 3 272.392 3.366 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNc1ccnc2ccccc21 ZINC000435603884 372783762 /nfs/dbraw/zinc/78/37/62/372783762.db2.gz MARPBKKGZLGPLY-CXAGYDPISA-N 0 3 268.360 3.050 20 30 CGEDHN C=CCOc1ccc(CN2CCC=C(C)C2)cc1OC ZINC000437353208 372846966 /nfs/dbraw/zinc/84/69/66/372846966.db2.gz PJUFFYJMNZYQNQ-UHFFFAOYSA-N 0 3 273.376 3.412 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@]3(CCCOC3)C2)cc1 ZINC000437570908 372851900 /nfs/dbraw/zinc/85/19/00/372851900.db2.gz RIOAPIUCGBQZIE-SFHVURJKSA-N 0 3 287.378 3.070 20 30 CGEDHN C[C@H](c1ccncc1)N(C)CCOc1cccc(C#N)c1 ZINC000171963243 372869663 /nfs/dbraw/zinc/86/96/63/372869663.db2.gz RWEODZRBCDHFFT-CQSZACIVSA-N 0 3 281.359 3.025 20 30 CGEDHN Clc1cccc(C#CCN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000438531496 372968124 /nfs/dbraw/zinc/96/81/24/372968124.db2.gz NXJDEBCRVYKNLP-GASCZTMLSA-N 0 3 259.780 3.423 20 30 CGEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000441632088 373030616 /nfs/dbraw/zinc/03/06/16/373030616.db2.gz GLVCYOFUAGQFFX-INIZCTEOSA-N 0 3 299.418 3.397 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C(C)C)CC1 ZINC000441441053 373014020 /nfs/dbraw/zinc/01/40/20/373014020.db2.gz RAVBUTVMDZRQTM-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000296179424 373044796 /nfs/dbraw/zinc/04/47/96/373044796.db2.gz CSSHMNXOEDKZPU-HNAYVOBHSA-N 0 3 294.398 3.467 20 30 CGEDHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000442806714 373091155 /nfs/dbraw/zinc/09/11/55/373091155.db2.gz CGPHSOIAPHUZNT-UVBJJODRSA-N 0 3 276.355 3.306 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccccc2C(F)(F)F)C1 ZINC000442861743 373107134 /nfs/dbraw/zinc/10/71/34/373107134.db2.gz YIARABUBVZJZFV-VXGBXAGGSA-N 0 3 298.308 3.366 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296381081 373113726 /nfs/dbraw/zinc/11/37/26/373113726.db2.gz JEFRCXXGXIVTJP-CABCVRRESA-N 0 3 298.386 3.462 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCO[C@@H]2c2ccccc2)o1 ZINC000174305320 373288980 /nfs/dbraw/zinc/28/89/80/373288980.db2.gz FNAHVGVNNUGRQY-CRAIPNDOSA-N 0 3 296.370 3.409 20 30 CGEDHN COc1ccc(CNCc2ccc(C)cc2C)cc1C#N ZINC000174280084 373282550 /nfs/dbraw/zinc/28/25/50/373282550.db2.gz YUTHGHHZYUUCSL-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C=CCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000175099999 373408303 /nfs/dbraw/zinc/40/83/03/373408303.db2.gz LLDDXUCYMKYQLZ-CQSZACIVSA-N 0 3 292.448 3.358 20 30 CGEDHN COc1ccc(C2(N[C@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000447585388 373456404 /nfs/dbraw/zinc/45/64/04/373456404.db2.gz JXHDKWZTHTZQBV-ZFWWWQNUSA-N 0 3 270.376 3.356 20 30 CGEDHN CCS[C@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000175870233 373531474 /nfs/dbraw/zinc/53/14/74/373531474.db2.gz WQYDRIJJEKMSMW-KGLIPLIRSA-N 0 3 264.394 3.305 20 30 CGEDHN CC1(C)OCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000449412395 373689019 /nfs/dbraw/zinc/68/90/19/373689019.db2.gz CKZGDYOEIGYECA-MRXNPFEDSA-N 0 3 288.391 3.026 20 30 CGEDHN C[C@H]1CCCCN1CCNc1cc(Cl)ccc1C#N ZINC000301266965 373721242 /nfs/dbraw/zinc/72/12/42/373721242.db2.gz ICZNIBJPPYTZGZ-LBPRGKRZSA-N 0 3 277.799 3.498 20 30 CGEDHN C[C@H]1CCCCN1CCNc1c(C#N)cnc2ccccc21 ZINC000301354367 373756542 /nfs/dbraw/zinc/75/65/42/373756542.db2.gz KBFJHRDFSNQEJJ-AWEZNQCLSA-N 0 3 294.402 3.393 20 30 CGEDHN C=CCO[C@@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000302202315 373826977 /nfs/dbraw/zinc/82/69/77/373826977.db2.gz ZTYYQNGSVZHSPK-CQSZACIVSA-N 0 3 268.360 3.325 20 30 CGEDHN C=CCC1(C(=O)N[C@H](C)CN2CCCCC2)CCCC1 ZINC000449555346 373831640 /nfs/dbraw/zinc/83/16/40/373831640.db2.gz RDNNDKSQVANZQB-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@]2(CCOC2)C1 ZINC000449687649 373840690 /nfs/dbraw/zinc/84/06/90/373840690.db2.gz QPQATWVWBHSUFD-GOSISDBHSA-N 0 3 287.403 3.254 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2c(F)cccc2-n2cccn2)C1 ZINC000449691774 373842307 /nfs/dbraw/zinc/84/23/07/373842307.db2.gz YFSPLNRMGHFKBE-KGLIPLIRSA-N 0 3 298.365 3.183 20 30 CGEDHN C[C@H](Cc1ccoc1)NCc1ccc(C#N)c(F)c1 ZINC000449735238 373862604 /nfs/dbraw/zinc/86/26/04/373862604.db2.gz GNGZAWNEMZHABU-LLVKDONJSA-N 0 3 258.296 3.011 20 30 CGEDHN CCCCN1CCCC[C@@H]1CNc1c(C#N)cccc1C#N ZINC000302883616 373996076 /nfs/dbraw/zinc/99/60/76/373996076.db2.gz LAFBZOIDZIJJBK-QGZVFWFLSA-N 0 3 296.418 3.496 20 30 CGEDHN N#CC1(CN2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000450225829 374008396 /nfs/dbraw/zinc/00/83/96/374008396.db2.gz HNOMDPBZNRBTTH-MRXNPFEDSA-N 0 3 254.377 3.387 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CCCCC1 ZINC000449987081 373980416 /nfs/dbraw/zinc/98/04/16/373980416.db2.gz PRKDGAGGQVVNOG-JKSUJKDBSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000180874497 374055319 /nfs/dbraw/zinc/05/53/19/374055319.db2.gz RPIXHWILGNTEIR-GFCCVEGCSA-N 0 3 269.335 3.117 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000181119031 374082195 /nfs/dbraw/zinc/08/21/95/374082195.db2.gz XTKIUJPKJXPSMH-OAHLLOKOSA-N 0 3 293.455 3.001 20 30 CGEDHN CCC[C@@H](CCO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305831345 374116970 /nfs/dbraw/zinc/11/69/70/374116970.db2.gz UKBBMQNHEJIEOH-OLZOCXBDSA-N 0 3 278.371 3.147 20 30 CGEDHN CC(C)(C)C[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000307778458 374152098 /nfs/dbraw/zinc/15/20/98/374152098.db2.gz QZXMFQUQHBUKNW-AWEZNQCLSA-N 0 3 257.381 3.211 20 30 CGEDHN CCCCN(CC#Cc1ccc(Cl)cc1)CCCO ZINC000182163581 374228218 /nfs/dbraw/zinc/22/82/18/374228218.db2.gz JTZCRDUWRYBVFA-UHFFFAOYSA-N 0 3 279.811 3.176 20 30 CGEDHN CC[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000182302012 374255097 /nfs/dbraw/zinc/25/50/97/374255097.db2.gz FOJIIMIAEVHWCB-CVEARBPZSA-N 0 3 277.795 3.239 20 30 CGEDHN CC[C@H](NCCOc1ccccc1C#N)c1c(C)noc1C ZINC000182457075 374274282 /nfs/dbraw/zinc/27/42/82/374274282.db2.gz SRUMKMCIZVLYHR-HNNXBMFYSA-N 0 3 299.374 3.283 20 30 CGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)NC1CCCCC1 ZINC000329569306 374409645 /nfs/dbraw/zinc/40/96/45/374409645.db2.gz LWPGORQDFBTWDW-SPWCGHHHSA-N 0 3 294.439 3.067 20 30 CGEDHN Cc1cccnc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000453314437 374412895 /nfs/dbraw/zinc/41/28/95/374412895.db2.gz UBCAEXAJDMEHLZ-CYBMUJFWSA-N 0 3 283.350 3.294 20 30 CGEDHN C=CCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000183463086 374416167 /nfs/dbraw/zinc/41/61/67/374416167.db2.gz OSLLHKAITBTJEE-SNVBAGLBSA-N 0 3 253.317 3.070 20 30 CGEDHN C[C@H](NC[C@@H]1C[C@H]1C1CC1)c1ccc(C#N)cc1F ZINC000453376789 374462885 /nfs/dbraw/zinc/46/28/85/374462885.db2.gz UXGBHGNHQIOERO-XEGUGMAKSA-N 0 3 258.340 3.394 20 30 CGEDHN CC[C@H]1[C@H](C)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332157502 374557187 /nfs/dbraw/zinc/55/71/87/374557187.db2.gz UQCXJFKHZIPWOX-DOMZBBRYSA-N 0 3 296.374 3.229 20 30 CGEDHN Cc1cc([C@@H]2CCCN2CCCC(C)(C)C#N)on1 ZINC000332409011 374571512 /nfs/dbraw/zinc/57/15/12/374571512.db2.gz ZFEYJMXZGVRFPL-ZDUSSCGKSA-N 0 3 261.369 3.450 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185384427 374654514 /nfs/dbraw/zinc/65/45/14/374654514.db2.gz RYYBDYXLWDTLBV-OAHLLOKOSA-N 0 3 288.435 3.392 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000334469905 374777158 /nfs/dbraw/zinc/77/71/58/374777158.db2.gz ZZHWCHUFOBXTGQ-LLVKDONJSA-N 0 3 297.333 3.082 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000186684485 374898794 /nfs/dbraw/zinc/89/87/94/374898794.db2.gz CBTGVWCAXIDXHA-TZMCWYRMSA-N 0 3 289.375 3.419 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](CNC(=O)C(C)C#N)c2ccccc21 ZINC000468492345 374981257 /nfs/dbraw/zinc/98/12/57/374981257.db2.gz NHFBLCXXVUKDDL-XEZPLFJOSA-N 0 3 270.376 3.189 20 30 CGEDHN CC[C@@H]1CN(C(=O)C(C)C#N)CC[C@@H]1c1ccccc1 ZINC000470187636 374995615 /nfs/dbraw/zinc/99/56/15/374995615.db2.gz IOLPXZSLLJKLBR-LZWOXQAQSA-N 0 3 270.376 3.188 20 30 CGEDHN CCN(C(=O)C(C)C#N)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000470538107 374997763 /nfs/dbraw/zinc/99/77/63/374997763.db2.gz RXVGBKJZFVQICQ-CZUORRHYSA-N 0 3 290.382 3.401 20 30 CGEDHN CCOC[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187691568 375073087 /nfs/dbraw/zinc/07/30/87/375073087.db2.gz HZZKECYEMZANQL-HOCLYGCPSA-N 0 3 272.392 3.368 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCOCC3)CC2)cc1F ZINC000335071409 375106577 /nfs/dbraw/zinc/10/65/77/375106577.db2.gz HSHHQOQTFRZSHU-UHFFFAOYSA-N 0 3 288.366 3.090 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000187844522 375106606 /nfs/dbraw/zinc/10/66/06/375106606.db2.gz UNZDIYIBMVPWRU-DOMZBBRYSA-N 0 3 258.365 3.166 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000481348058 375163608 /nfs/dbraw/zinc/16/36/08/375163608.db2.gz MXVDJMZCOBUIIX-WBVHZDCISA-N 0 3 291.822 3.174 20 30 CGEDHN N#CCC1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000335314131 375261426 /nfs/dbraw/zinc/26/14/26/375261426.db2.gz WSPASUOUHSRDPI-UHFFFAOYSA-N 0 3 281.359 3.066 20 30 CGEDHN Cc1ccc(CN2CCC(C#N)CC2)c(-c2cnn(C)c2)c1 ZINC000335411757 375271612 /nfs/dbraw/zinc/27/16/12/375271612.db2.gz CJXPOOOTLWYILY-UHFFFAOYSA-N 0 3 294.402 3.131 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCCC(F)(F)C2)o1 ZINC000491571111 375332679 /nfs/dbraw/zinc/33/26/79/375332679.db2.gz AESLODSATTWRIV-LLVKDONJSA-N 0 3 268.307 3.456 20 30 CGEDHN CC(C(=O)N(C)c1cc(Cl)ccc1C#N)C(F)(F)F ZINC000335810291 375448885 /nfs/dbraw/zinc/44/88/85/375448885.db2.gz NURMZPXZQHZZJM-SSDOTTSWSA-N 0 3 290.672 3.373 20 30 CGEDHN C=C(CC)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000494282697 375486191 /nfs/dbraw/zinc/48/61/91/375486191.db2.gz PNRAELIFTFRDDM-HOCLYGCPSA-N 0 3 292.810 3.168 20 30 CGEDHN Cn1cc(CN2CCC[C@]3(CC=CCC3)C2)cc1C#N ZINC000191368267 375619221 /nfs/dbraw/zinc/61/92/21/375619221.db2.gz GKYUFVQRPSDOLR-QGZVFWFLSA-N 0 3 269.392 3.219 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000121145463 542014976 /nfs/dbraw/zinc/01/49/76/542014976.db2.gz WXCIEGIXVUFGTE-CQSZACIVSA-N 0 3 287.325 3.464 20 30 CGEDHN C=C(C)CCN(C)CCc1nc(-c2ccccc2)no1 ZINC000512151468 375795252 /nfs/dbraw/zinc/79/52/52/375795252.db2.gz YSIDFEOCWCQAPV-UHFFFAOYSA-N 0 3 271.364 3.177 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cncc(Br)c1 ZINC000514676981 375805915 /nfs/dbraw/zinc/80/59/15/375805915.db2.gz AJQQWTJNCZPZNS-LLVKDONJSA-N 0 3 299.212 3.087 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000336393803 375787065 /nfs/dbraw/zinc/78/70/65/375787065.db2.gz LUUOKVDCVCXCQA-MRVPVSSYSA-N 0 3 271.147 3.111 20 30 CGEDHN C=CCN(CC=C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000193124175 375830005 /nfs/dbraw/zinc/83/00/05/375830005.db2.gz QGCHQCYLHLUSQM-UHFFFAOYSA-N 0 3 298.386 3.309 20 30 CGEDHN Cn1cccc1[C@@H]1CCCN1CCOc1ccccc1C#N ZINC000193736929 375916090 /nfs/dbraw/zinc/91/60/90/375916090.db2.gz OFHPULVSOYRSMA-KRWDZBQOSA-N 0 3 295.386 3.113 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@@H](C)c2ccc(C)cc2C)C1=O ZINC000337129394 376089072 /nfs/dbraw/zinc/08/90/72/376089072.db2.gz IODCDZLUZUJJQD-RDJZCZTQSA-N 0 3 286.419 3.083 20 30 CGEDHN C=CCCCCCN(C)Cc1cnc(N2CCCC2)nc1 ZINC000537625749 376185193 /nfs/dbraw/zinc/18/51/93/376185193.db2.gz SXLDRUCHFIUDAG-UHFFFAOYSA-N 0 3 288.439 3.255 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccccc1SC ZINC000337366414 376216234 /nfs/dbraw/zinc/21/62/34/376216234.db2.gz LVQOVPOAFCVYHQ-OLZOCXBDSA-N 0 3 265.422 3.386 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000539433952 376312105 /nfs/dbraw/zinc/31/21/05/376312105.db2.gz VQUBZGPFWDLUBD-HRCADAONSA-N 0 3 295.471 3.293 20 30 CGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000539588858 376320085 /nfs/dbraw/zinc/32/00/85/376320085.db2.gz SKEZVZVNPFXNTJ-AWEZNQCLSA-N 0 3 294.439 3.370 20 30 CGEDHN C=CCCN1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000338541569 376415687 /nfs/dbraw/zinc/41/56/87/376415687.db2.gz HLIZBGXBWDHIEV-INIZCTEOSA-N 0 3 288.435 3.168 20 30 CGEDHN CC1(C)CCN(CCOc2cccc(C#N)c2)CCS1 ZINC000228088869 376429381 /nfs/dbraw/zinc/42/93/81/376429381.db2.gz GJJMBNBDQADLRA-UHFFFAOYSA-N 0 3 290.432 3.155 20 30 CGEDHN C=CCOc1cccc(CN[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000543242281 376621867 /nfs/dbraw/zinc/62/18/67/376621867.db2.gz JGOWMYDINBPQIX-MSOLQXFVSA-N 0 3 287.403 3.299 20 30 CGEDHN CC(C)n1cc([C@H](C)NCc2ccc(CC#N)cc2)cn1 ZINC000543506250 376652109 /nfs/dbraw/zinc/65/21/09/376652109.db2.gz XUWWVKUREICAJX-AWEZNQCLSA-N 0 3 282.391 3.381 20 30 CGEDHN N#CCC1CCN(CCc2cccc(F)c2F)CC1 ZINC000544121241 376707050 /nfs/dbraw/zinc/70/70/50/376707050.db2.gz BRRPNFYMMOZSAI-UHFFFAOYSA-N 0 3 264.319 3.133 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](CC2CC2)C1 ZINC000339674450 376800519 /nfs/dbraw/zinc/80/05/19/376800519.db2.gz PKDNBLZCARMDKC-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN CC#CCN[C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555131591 376854783 /nfs/dbraw/zinc/85/47/83/376854783.db2.gz BDKVLKUNKAMCCO-HOTGVXAUSA-N 0 3 294.801 3.227 20 30 CGEDHN C=CCC[C@@H](NCCN1CC[C@@H](C)C1)c1ccco1 ZINC000556874040 376894760 /nfs/dbraw/zinc/89/47/60/376894760.db2.gz ZOQRGLJFJAQHGR-HUUCEWRRSA-N 0 3 262.397 3.218 20 30 CGEDHN CCOC[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246308572 377008159 /nfs/dbraw/zinc/00/81/59/377008159.db2.gz FYGOQUOYCMPRCM-GDBMZVCRSA-N 0 3 272.392 3.368 20 30 CGEDHN CC(C)C[C@H](C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000560707794 377189080 /nfs/dbraw/zinc/18/90/80/377189080.db2.gz XMSGHKTVEMMUNG-AWEZNQCLSA-N 0 3 289.398 3.254 20 30 CGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCSC1 ZINC000340728357 377239677 /nfs/dbraw/zinc/23/96/77/377239677.db2.gz XLYBNJBQFANMKP-GFCCVEGCSA-N 0 3 298.358 3.097 20 30 CGEDHN C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000248417238 377315479 /nfs/dbraw/zinc/31/54/79/377315479.db2.gz JJIBCJAJTUBFMH-COXVUDFISA-N 0 3 297.402 3.007 20 30 CGEDHN Cc1cc(OCc2ccccc2C#N)c(C)c(C)n1 ZINC000562228181 377284620 /nfs/dbraw/zinc/28/46/20/377284620.db2.gz SBARDAAJKZSDEZ-UHFFFAOYSA-N 0 3 252.317 3.458 20 30 CGEDHN C[C@@H]1CN(CCCSCC#N)[C@H]1c1ccccc1 ZINC000248369772 377296967 /nfs/dbraw/zinc/29/69/67/377296967.db2.gz WRANDOFDFYNNKI-UKRRQHHQSA-N 0 3 260.406 3.326 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1CCC(C)(C)CC1 ZINC000341199353 377442379 /nfs/dbraw/zinc/44/23/79/377442379.db2.gz XXRFZDSXSTYSOG-UHFFFAOYSA-N 0 3 288.391 3.068 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCS[C@@H](C)CC1 ZINC000249035189 377446044 /nfs/dbraw/zinc/44/60/44/377446044.db2.gz MMTIFGPKZHCDGT-QWHCGFSZSA-N 0 3 260.406 3.447 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(OC3CCCC3)nc2)C1 ZINC000566849342 377500169 /nfs/dbraw/zinc/50/01/69/377500169.db2.gz WDYMSFVDUHFICY-ZFWWWQNUSA-N 0 3 285.391 3.185 20 30 CGEDHN COc1ccc(CN2CC[C@@H](C)C[C@H]2C)cc1C#N ZINC000087833365 249024579 /nfs/dbraw/zinc/02/45/79/249024579.db2.gz KPJVCYVNXFRSNY-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCCC[C@H]1O ZINC000567990318 377511853 /nfs/dbraw/zinc/51/18/53/377511853.db2.gz SLKPHBFGVJPPGN-JKSUJKDBSA-N 0 3 266.429 3.189 20 30 CGEDHN C[C@@H](N(C)Cc1cn2ccccc2c1C#N)C1(C)CC1 ZINC000177215703 249052904 /nfs/dbraw/zinc/05/29/04/249052904.db2.gz CQKDFABZUNRNPQ-CYBMUJFWSA-N 0 3 267.376 3.431 20 30 CGEDHN C=CCCNCc1cccc(F)c1Br ZINC000168728491 542178356 /nfs/dbraw/zinc/17/83/56/542178356.db2.gz UBGJLJXRYCMEOR-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN CCC[C@H](C)[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000514608080 249182124 /nfs/dbraw/zinc/18/21/24/249182124.db2.gz IIVTVWNNXWASMX-MKBNYLNASA-N 0 3 278.371 3.145 20 30 CGEDHN N#Cc1cccc(CCNCc2ccc(Cl)o2)c1 ZINC000341486322 377588305 /nfs/dbraw/zinc/58/83/05/377588305.db2.gz NJIIEZTXSRXPMG-UHFFFAOYSA-N 0 3 260.724 3.137 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cc[nH]c2C(C)C)nc(C)n1 ZINC000574091182 377619122 /nfs/dbraw/zinc/61/91/22/377619122.db2.gz DEEVNJQOIIWCPP-CYBMUJFWSA-N 0 3 282.347 3.035 20 30 CGEDHN O[C@@H]1CCC[C@@H]1[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000253086051 377670983 /nfs/dbraw/zinc/67/09/83/377670983.db2.gz AJLWXQVUYWEWOK-GUDVDZBRSA-N 0 3 283.415 3.054 20 30 CGEDHN Cc1cc(CN2CC[C@@H](c3ccncc3)C2)ccc1C#N ZINC000574530279 377677934 /nfs/dbraw/zinc/67/79/34/377677934.db2.gz WRJUTCGDPXOSIM-GOSISDBHSA-N 0 3 277.371 3.251 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCCOC1 ZINC000342681814 377730855 /nfs/dbraw/zinc/73/08/55/377730855.db2.gz ROCJUNBSOGICOE-MRXNPFEDSA-N 0 3 275.392 3.110 20 30 CGEDHN CCC[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000342768724 377779245 /nfs/dbraw/zinc/77/92/45/377779245.db2.gz MQHMSFJIBNSPQN-HNNXBMFYSA-N 0 3 282.391 3.361 20 30 CGEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342733441 377761988 /nfs/dbraw/zinc/76/19/88/377761988.db2.gz UCHHOYDVPWXKKI-CYBMUJFWSA-N 0 3 276.343 3.057 20 30 CGEDHN C=CCCN(C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000342733007 377762019 /nfs/dbraw/zinc/76/20/19/377762019.db2.gz HYWMQSKRKUVTDX-HNNXBMFYSA-N 0 3 290.382 3.137 20 30 CGEDHN CC[C@@H](CC(F)(F)F)NCc1cnc2ccc(C#N)cn12 ZINC000342784720 377791787 /nfs/dbraw/zinc/79/17/87/377791787.db2.gz VXRPEOWPIGCHQL-NSHDSACASA-N 0 3 296.296 3.027 20 30 CGEDHN CCC[C@]1(C)CCCN(Cc2ccc(C#N)cn2)C1 ZINC000577861913 378017819 /nfs/dbraw/zinc/01/78/19/378017819.db2.gz QGHMWATXWZXQBT-MRXNPFEDSA-N 0 3 257.381 3.355 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000575758553 377987736 /nfs/dbraw/zinc/98/77/36/377987736.db2.gz FNAHILHFQIRFBY-UHFFFAOYSA-N 0 3 261.325 3.087 20 30 CGEDHN CC(C)[C@H]1CN(Cc2ccc(CC#N)cc2)CCS1 ZINC000343585291 378028978 /nfs/dbraw/zinc/02/89/78/378028978.db2.gz TTZXDVPQCPVCAF-MRXNPFEDSA-N 0 3 274.433 3.326 20 30 CGEDHN Cn1cccc1[C@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000343603947 378037217 /nfs/dbraw/zinc/03/72/17/378037217.db2.gz HPCALOOVMHYSDU-GOSISDBHSA-N 0 3 279.387 3.428 20 30 CGEDHN C[C@H](C#N)S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000578131738 378039612 /nfs/dbraw/zinc/03/96/12/378039612.db2.gz RXSRAAOWKSPCQV-HIFRSBDPSA-N 0 3 260.406 3.296 20 30 CGEDHN CCc1ccc([C@@H](CO)NCc2ccc(CC#N)cc2)cc1 ZINC000343682835 378064383 /nfs/dbraw/zinc/06/43/83/378064383.db2.gz HCTAIIIXXHLYIR-LJQANCHMSA-N 0 3 294.398 3.138 20 30 CGEDHN C=C(C)COCCN[C@H]1CCc2c1ccc(OC)c2F ZINC000343735484 378078502 /nfs/dbraw/zinc/07/85/02/378078502.db2.gz YAXQIFGHMYXEHX-AWEZNQCLSA-N 0 3 279.355 3.004 20 30 CGEDHN C=C(CN[C@H](C)c1cnc(C)nc1C)c1ccccc1 ZINC000268870060 378136001 /nfs/dbraw/zinc/13/60/01/378136001.db2.gz XMLYZQUTHFFROU-CYBMUJFWSA-N 0 3 267.376 3.457 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000268661191 378087620 /nfs/dbraw/zinc/08/76/20/378087620.db2.gz JBZGNRJVELXDLN-JSGCOSHPSA-N 0 3 294.464 3.342 20 30 CGEDHN N#CCCCN[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000343801847 378096602 /nfs/dbraw/zinc/09/66/02/378096602.db2.gz UUZHRLKLTMHGKM-OAHLLOKOSA-N 0 3 253.349 3.439 20 30 CGEDHN N#CCc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000343818509 378102994 /nfs/dbraw/zinc/10/29/94/378102994.db2.gz MYEQPMICWBGFSA-IBGZPJMESA-N 0 3 294.398 3.356 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(C)nc2)cc1 ZINC000268778062 378107267 /nfs/dbraw/zinc/10/72/67/378107267.db2.gz OUWQMIDFFRHCGN-OAHLLOKOSA-N 0 3 280.371 3.253 20 30 CGEDHN Cc1ccoc1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000345071888 378188789 /nfs/dbraw/zinc/18/87/89/378188789.db2.gz RCPCHCUGJMAGAN-INIZCTEOSA-N 0 3 296.370 3.319 20 30 CGEDHN CC(C)(CO)[C@@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000269477176 378227362 /nfs/dbraw/zinc/22/73/62/378227362.db2.gz KWJFBWVBZOYUOW-KRWDZBQOSA-N 0 3 298.386 3.043 20 30 CGEDHN N#Cc1csc(CNCCc2ccc(F)cc2F)c1 ZINC000583889740 378356526 /nfs/dbraw/zinc/35/65/26/378356526.db2.gz XUBGGGWQYAQDGQ-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271932633 378522161 /nfs/dbraw/zinc/52/21/61/378522161.db2.gz ISUNJWLOIVTDSU-BXUZGUMPSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H](NC[C@@](C)(O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271936683 378524416 /nfs/dbraw/zinc/52/44/16/378524416.db2.gz KKLXJTFOPBODRS-FZKQIMNGSA-N 0 3 298.361 3.256 20 30 CGEDHN Cc1cccc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000271812475 378508100 /nfs/dbraw/zinc/50/81/00/378508100.db2.gz BAIRRQZLRVMGLU-KDOFPFPSSA-N 0 3 280.371 3.251 20 30 CGEDHN Cc1cccc([C@@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271915399 378514616 /nfs/dbraw/zinc/51/46/16/378514616.db2.gz BZLNOKAREQIOBZ-ACJLOTCBSA-N 0 3 298.361 3.390 20 30 CGEDHN C[C@H](N[C@H]1CCCc2cn[nH]c21)c1ccc(C#N)c(F)c1 ZINC000271925518 378519179 /nfs/dbraw/zinc/51/91/79/378519179.db2.gz GHGINQSDIKWGHO-BONVTDFDSA-N 0 3 284.338 3.149 20 30 CGEDHN C[C@@H](N[C@H]1CCCSC1)c1ccc(C#N)c(F)c1 ZINC000271960450 378530656 /nfs/dbraw/zinc/53/06/56/378530656.db2.gz RDDPYRKIAZZNGU-MFKMUULPSA-N 0 3 264.369 3.244 20 30 CGEDHN C=CCN(CCOC1CCC1)CCc1ccccc1 ZINC000346813639 378690614 /nfs/dbraw/zinc/69/06/14/378690614.db2.gz ARJWACIPCIAQMY-UHFFFAOYSA-N 0 3 259.393 3.286 20 30 CGEDHN C=CCOCCCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000348044062 378764589 /nfs/dbraw/zinc/76/45/89/378764589.db2.gz YPVJWCQRHDOATF-JLTOFOAXSA-N 0 3 295.448 3.010 20 30 CGEDHN N#Cc1ccccc1OCCN1CCCC2(CCC2)C1 ZINC000348192386 378832685 /nfs/dbraw/zinc/83/26/85/378832685.db2.gz HXWFCRAPZPNERJ-UHFFFAOYSA-N 0 3 270.376 3.203 20 30 CGEDHN C#CCCCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000274342440 378815108 /nfs/dbraw/zinc/81/51/08/378815108.db2.gz BAZWOTXUTOVOJW-QMMMGPOBSA-N 0 3 262.300 3.226 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CCO)c2ccc(Cl)cc2)C1 ZINC000348216630 378844003 /nfs/dbraw/zinc/84/40/03/378844003.db2.gz OZWRNWGGSMIOQF-DFBGVHRSSA-N 0 3 278.783 3.045 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(OC)c1C)C1CC1 ZINC000348258764 378869984 /nfs/dbraw/zinc/86/99/84/378869984.db2.gz CEFRCTSUJWQTCO-UHFFFAOYSA-N 0 3 261.365 3.163 20 30 CGEDHN C=C(C)[C@@H](NCCC1OCCCO1)c1ccc(F)c(F)c1 ZINC000274843254 378906686 /nfs/dbraw/zinc/90/66/86/378906686.db2.gz DLXXBVPNVXHAFK-MRXNPFEDSA-N 0 3 297.345 3.325 20 30 CGEDHN CC(C)(CO)[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000348396750 378939320 /nfs/dbraw/zinc/93/93/20/378939320.db2.gz QYAPHQVSWDIYMF-GOSISDBHSA-N 0 3 294.398 3.408 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1cc(C#N)cs1 ZINC000348548279 378988109 /nfs/dbraw/zinc/98/81/09/378988109.db2.gz QKSUHQZNSNEUBC-GXTWGEPZSA-N 0 3 278.421 3.135 20 30 CGEDHN C=CCCCCNCc1nc2ccccc2nc1C ZINC000639056877 378990102 /nfs/dbraw/zinc/99/01/02/378990102.db2.gz TUDJCDUGXYTTIS-UHFFFAOYSA-N 0 3 255.365 3.384 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278628974 194075794 /nfs/dbraw/zinc/07/57/94/194075794.db2.gz GHYSNPACSHITBY-ZDUSSCGKSA-N 0 3 268.282 3.333 20 30 CGEDHN CCN(Cc1ccc(C#N)o1)Cc1ccc(CN(C)C)cc1 ZINC000289467521 197362105 /nfs/dbraw/zinc/36/21/05/197362105.db2.gz PAWVXGSQXYMHEF-UHFFFAOYSA-N 0 3 297.402 3.235 20 30 CGEDHN C[C@H]1C[C@H](c2cccnc2)N(CCCSCC#N)C1 ZINC000372022319 379187393 /nfs/dbraw/zinc/18/73/93/379187393.db2.gz WWZSWUPTKYRHJT-DZGCQCFKSA-N 0 3 275.421 3.111 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](c2nccn2C)C2CC2)C1 ZINC000639308693 379259081 /nfs/dbraw/zinc/25/90/81/379259081.db2.gz HUHSTWSDTAWTOJ-DZGCQCFKSA-N 0 3 259.397 3.159 20 30 CGEDHN C=CCC1(NCc2nc3ccccc3nc2C)CCOCC1 ZINC000639315172 379265829 /nfs/dbraw/zinc/26/58/29/379265829.db2.gz QVMHQUQDQMRSCH-UHFFFAOYSA-N 0 3 297.402 3.153 20 30 CGEDHN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccc(C#N)o2)C1 ZINC000373614212 379308912 /nfs/dbraw/zinc/30/89/12/379308912.db2.gz WTLGCDMZFAWQRG-QGZVFWFLSA-N 0 3 284.334 3.454 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000349804936 379391935 /nfs/dbraw/zinc/39/19/35/379391935.db2.gz UPMWZKANTYLXIQ-WCQYABFASA-N 0 3 298.308 3.410 20 30 CGEDHN C=C(C)CN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375699099 379504449 /nfs/dbraw/zinc/50/44/49/379504449.db2.gz URTLNOMCJUEUHQ-UHFFFAOYSA-N 0 3 280.412 3.038 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(F)c1F ZINC000280694384 379765547 /nfs/dbraw/zinc/76/55/47/379765547.db2.gz RTXWDHSYZPDSHC-DOMZBBRYSA-N 0 3 267.319 3.036 20 30 CGEDHN C=C(C)CCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280884627 379809324 /nfs/dbraw/zinc/80/93/24/379809324.db2.gz POBVAFXGUHAYPX-ZBFHGGJFSA-N 0 3 295.448 3.025 20 30 CGEDHN C[C@H](CCN1CCC(F)(C#N)CC1)OCc1ccccc1 ZINC000352468401 379827302 /nfs/dbraw/zinc/82/73/02/379827302.db2.gz RVFJVZYPQGACPF-OAHLLOKOSA-N 0 3 290.382 3.309 20 30 CGEDHN C=CCCC[C@@H](C)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641233933 379968618 /nfs/dbraw/zinc/96/86/18/379968618.db2.gz OQVZYFNYXUHYBL-DGCLKSJQSA-N 0 3 250.390 3.241 20 30 CGEDHN C[C@H](CCCC(F)(F)F)NCc1nc(C#N)cs1 ZINC000352851815 380004190 /nfs/dbraw/zinc/00/41/90/380004190.db2.gz IZHSVAUORDAQFT-MRVPVSSYSA-N 0 3 277.315 3.225 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@](C)(O)CC ZINC000352920984 380039743 /nfs/dbraw/zinc/03/97/43/380039743.db2.gz CNJBMABZKSNKEL-INIZCTEOSA-N 0 3 279.428 3.003 20 30 CGEDHN Cc1ccc(C(C)(C)NCc2cccc(C#N)c2)cn1 ZINC000353142573 380137413 /nfs/dbraw/zinc/13/74/13/380137413.db2.gz GYDCFBLSHUALJM-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN CN(CCOCC1CC1)CCC1(C#N)CCCCC1 ZINC000411338981 380141640 /nfs/dbraw/zinc/14/16/40/380141640.db2.gz WBUVKUFHRBZLBO-UHFFFAOYSA-N 0 3 264.413 3.209 20 30 CGEDHN C=CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285402615 380147971 /nfs/dbraw/zinc/14/79/71/380147971.db2.gz CQGVMFLFGAWCCF-LBPRGKRZSA-N 0 3 260.164 3.193 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](CCO)c1ccccc1)CC2 ZINC000353250108 380188550 /nfs/dbraw/zinc/18/85/50/380188550.db2.gz FFPSQBAYVXNVCQ-MOPGFXCFSA-N 0 3 292.382 3.259 20 30 CGEDHN COc1cc(CNCc2ccc(C)c(F)c2)ccc1C#N ZINC000353251472 380191195 /nfs/dbraw/zinc/19/11/95/380191195.db2.gz QXENEIPJNCHXLB-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000268272559 190391334 /nfs/dbraw/zinc/39/13/34/190391334.db2.gz HKCPRDIFEZAUGD-MRXNPFEDSA-N 0 3 273.401 3.470 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc([S@](C)=O)cc1 ZINC000414164816 380196438 /nfs/dbraw/zinc/19/64/38/380196438.db2.gz KSPRULAFXGBRIA-BLVKFPJESA-N 0 3 278.421 3.014 20 30 CGEDHN C=CCCC1(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000354559702 380485067 /nfs/dbraw/zinc/48/50/67/380485067.db2.gz BIPBEARJOGFVDC-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000355141864 380596995 /nfs/dbraw/zinc/59/69/95/380596995.db2.gz YOWIMCLFHFXFNJ-IRXDYDNUSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCCCCN[C@@H](CCO)c1ccccc1F ZINC000646070537 380819399 /nfs/dbraw/zinc/81/93/99/380819399.db2.gz YRWPOESFPMOQRL-HNNXBMFYSA-N 0 3 251.345 3.195 20 30 CGEDHN C[C@@H]1[C@H](C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000419375985 380820469 /nfs/dbraw/zinc/82/04/69/380820469.db2.gz SJCDUSHMEQVIKD-UPJWGTAASA-N 0 3 296.374 3.085 20 30 CGEDHN COCCCCN(C)CC#Cc1cccc(Cl)c1 ZINC000419379591 380822981 /nfs/dbraw/zinc/82/29/81/380822981.db2.gz FLYCVTSHZBNPLB-UHFFFAOYSA-N 0 3 265.784 3.050 20 30 CGEDHN CC(C#N)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000357823879 381284092 /nfs/dbraw/zinc/28/40/92/381284092.db2.gz JNQBDIIHFCFLGP-AWEZNQCLSA-N 0 3 278.355 3.094 20 30 CGEDHN C[C@@H](NCCOCC1CCC1)c1ccc(C#N)cc1 ZINC000360504978 381563816 /nfs/dbraw/zinc/56/38/16/381563816.db2.gz RGLFHLYADMWKSC-CYBMUJFWSA-N 0 3 258.365 3.026 20 30 CGEDHN C[C@@H]1CCCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000360605996 381591616 /nfs/dbraw/zinc/59/16/16/381591616.db2.gz YHNHFUVUKYKZRK-CQSZACIVSA-N 0 3 267.376 3.433 20 30 CGEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361252578 381665535 /nfs/dbraw/zinc/66/55/35/381665535.db2.gz PGLVZZDTOBVLLZ-UONOGXRCSA-N 0 3 299.340 3.450 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000362458308 382001024 /nfs/dbraw/zinc/00/10/24/382001024.db2.gz SBOUSBHXQMHZPF-INIZCTEOSA-N 0 3 287.407 3.321 20 30 CGEDHN N#Cc1cccc(CN(CCO)CC2CCCCC2)c1F ZINC000362592774 382070651 /nfs/dbraw/zinc/07/06/51/382070651.db2.gz NWXQZMKDTUTHQL-UHFFFAOYSA-N 0 3 290.382 3.072 20 30 CGEDHN C=CCCNCc1c(F)ccc(Br)c1F ZINC000230310598 542302884 /nfs/dbraw/zinc/30/28/84/542302884.db2.gz GNGUAKWHTMWDGY-UHFFFAOYSA-N 0 3 276.124 3.393 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ccncn2)C1 ZINC000365415803 382286939 /nfs/dbraw/zinc/28/69/39/382286939.db2.gz YOADBLGKFHSGIB-YOEHRIQHSA-N 0 3 292.386 3.289 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)c(F)c1 ZINC000335368926 208294897 /nfs/dbraw/zinc/29/48/97/208294897.db2.gz PKYVAMHDWBKEBS-RDJZCZTQSA-N 0 3 288.366 3.088 20 30 CGEDHN CC[C@@H](NCc1cnn2ccccc12)c1ccc(C#N)cc1 ZINC000353862305 220374028 /nfs/dbraw/zinc/37/40/28/220374028.db2.gz CDVQNOVNEODZFB-QGZVFWFLSA-N 0 3 290.370 3.447 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000347081186 533107392 /nfs/dbraw/zinc/10/73/92/533107392.db2.gz XGAZFPLPMASJMP-UWVGGRQHSA-N 0 3 284.281 3.384 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000336153310 533110067 /nfs/dbraw/zinc/11/00/67/533110067.db2.gz IURBQXZULMMEFA-WMLDXEAASA-N 0 3 270.376 3.116 20 30 CGEDHN CCC(CC)N(CC)CC(=O)Nc1sccc1C#N ZINC000288563825 197113242 /nfs/dbraw/zinc/11/32/42/197113242.db2.gz AHEMOXPBLTYMAU-UHFFFAOYSA-N 0 3 279.409 3.069 20 30 CGEDHN COc1ccc(CN2CC[C@H](CC(C)C)C2)cc1C#N ZINC000307771643 542422460 /nfs/dbraw/zinc/42/24/60/542422460.db2.gz HQBLWXPDJHUCLX-OAHLLOKOSA-N 0 3 272.392 3.435 20 30 CGEDHN C=CC1CCN([C@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000111258545 262258986 /nfs/dbraw/zinc/25/89/86/262258986.db2.gz QONZXMYESDYPGY-LLVKDONJSA-N 0 3 263.337 3.025 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccncc1 ZINC000281763890 195369894 /nfs/dbraw/zinc/36/98/94/195369894.db2.gz RWSPTUIGLKUMSW-INIZCTEOSA-N 0 3 281.359 3.203 20 30 CGEDHN COc1cc(CNCCCNc2ccccc2)ccc1C#N ZINC000281791915 195383872 /nfs/dbraw/zinc/38/38/72/195383872.db2.gz UOHXTIYYFBJKLF-UHFFFAOYSA-N 0 3 295.386 3.159 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000358436809 533503383 /nfs/dbraw/zinc/50/33/83/533503383.db2.gz TUZMVJJCUSNTQZ-MBNYWOFBSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCCOCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285023984 392317499 /nfs/dbraw/zinc/31/74/99/392317499.db2.gz HOCMCYVEDRPKET-AWEZNQCLSA-N 0 3 263.381 3.252 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCC#Cc1ccccc1 ZINC000233838141 130931906 /nfs/dbraw/zinc/93/19/06/130931906.db2.gz PHJRLAFROHVAIK-HZPDHXFCSA-N 0 3 259.418 3.302 20 30 CGEDHN COCCN(Cc1ccccc1C#N)C[C@@H]1CC=CCC1 ZINC000361675176 392292743 /nfs/dbraw/zinc/29/27/43/392292743.db2.gz KTHVGXSYGYHAHZ-MRXNPFEDSA-N 0 3 284.403 3.363 20 30 CGEDHN C=CCC[C@@H](NC[C@@](C)(O)CCC)c1ccco1 ZINC000285906277 392347480 /nfs/dbraw/zinc/34/74/80/392347480.db2.gz CYVUBXQTFLACID-HIFRSBDPSA-N 0 3 251.370 3.428 20 30 CGEDHN C#C[C@@H](NCc1ccc(Oc2cnccn2)cc1)C(C)(C)C ZINC000289249108 392416650 /nfs/dbraw/zinc/41/66/50/392416650.db2.gz AXGWDPSUEVUPIY-MRXNPFEDSA-N 0 3 295.386 3.406 20 30 CGEDHN C#Cc1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000290661699 392454219 /nfs/dbraw/zinc/45/42/19/392454219.db2.gz ZTUGXCQXKZKGKC-LJQANCHMSA-N 0 3 296.389 3.200 20 30 CGEDHN C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)N1C ZINC000135265629 392474931 /nfs/dbraw/zinc/47/49/31/392474931.db2.gz ZGPSKFNETSVPEZ-QWRGUYRKSA-N 0 3 297.324 3.106 20 30 CGEDHN C=C(C)CN(C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000181254974 392724036 /nfs/dbraw/zinc/72/40/36/392724036.db2.gz KVHFIBPYFQVUPD-UHFFFAOYSA-N 0 3 291.782 3.440 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2cccc(F)c2F)CC1 ZINC000183260385 392754552 /nfs/dbraw/zinc/75/45/52/392754552.db2.gz BUWMTINEOCEKGI-GFCCVEGCSA-N 0 3 280.362 3.266 20 30 CGEDHN N#Cc1c(F)cccc1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000509589035 392761022 /nfs/dbraw/zinc/76/10/22/392761022.db2.gz SJYIWYCZLJMRTE-HNNXBMFYSA-N 0 3 299.393 3.176 20 30 CGEDHN N#CCC1CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000334201574 392710695 /nfs/dbraw/zinc/71/06/95/392710695.db2.gz PAENNWSUZATDEI-HNNXBMFYSA-N 0 3 262.397 3.104 20 30 CGEDHN Cc1cnc(CCN(C)Cc2ccc(C#N)cc2C)s1 ZINC000186312630 392782869 /nfs/dbraw/zinc/78/28/69/392782869.db2.gz SCRXCVYXATUFJH-UHFFFAOYSA-N 0 3 285.416 3.306 20 30 CGEDHN C=CC[C@H](CO)CNCc1csc(Cl)c1Cl ZINC000336696929 392867556 /nfs/dbraw/zinc/86/75/56/392867556.db2.gz MCMXQEQNXJDKEU-QMMMGPOBSA-N 0 3 280.220 3.329 20 30 CGEDHN CCSc1ccc([C@H](C)NCCOCCC#N)cc1 ZINC000339073707 392945355 /nfs/dbraw/zinc/94/53/55/392945355.db2.gz DKFBLVHYZJMIQV-ZDUSSCGKSA-N 0 3 278.421 3.379 20 30 CGEDHN COc1cccc([C@@H]2C[C@@H](C)CN2CCOCCC#N)c1 ZINC000339084136 392948117 /nfs/dbraw/zinc/94/81/17/392948117.db2.gz NTWHIQYEXMWAPE-PBHICJAKSA-N 0 3 288.391 3.008 20 30 CGEDHN C[C@H](O)CN(Cc1ccccc1C#N)C1CCCCC1 ZINC000339127907 392949903 /nfs/dbraw/zinc/94/99/03/392949903.db2.gz KVHXIXQHOOULSY-AWEZNQCLSA-N 0 3 272.392 3.074 20 30 CGEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000194938206 392946943 /nfs/dbraw/zinc/94/69/43/392946943.db2.gz COVOOJVVFYIVSO-KRWDZBQOSA-N 0 3 290.382 3.478 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1oc(C(C)C)nc1C ZINC000411652158 392983546 /nfs/dbraw/zinc/98/35/46/392983546.db2.gz WPNDFCHHPFGQFX-UHFFFAOYSA-N 0 3 279.428 3.046 20 30 CGEDHN C[C@H](CCC#N)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000411661160 392984480 /nfs/dbraw/zinc/98/44/80/392984480.db2.gz BGUHDTAACGGGGX-CQSZACIVSA-N 0 3 286.423 3.091 20 30 CGEDHN N#CCCCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001132 392992412 /nfs/dbraw/zinc/99/24/12/392992412.db2.gz PIAWFAUAKCGRQC-MRXNPFEDSA-N 0 3 270.376 3.144 20 30 CGEDHN C[C@H](N(C)Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000534349869 392998209 /nfs/dbraw/zinc/99/82/09/392998209.db2.gz JHHYHFMTHJMSPP-LBPRGKRZSA-N 0 3 270.380 3.072 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412560627 393004759 /nfs/dbraw/zinc/00/47/59/393004759.db2.gz QIADUUQYEOXLKH-LBPRGKRZSA-N 0 3 278.371 3.428 20 30 CGEDHN N#CC(C(=O)c1ccc(-c2cnco2)cc1)c1ccccn1 ZINC000342846431 393010783 /nfs/dbraw/zinc/01/07/83/393010783.db2.gz MYHZLQSALHWETE-AWEZNQCLSA-N 0 3 289.294 3.227 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@](C)(OC)C1 ZINC000355227896 393271030 /nfs/dbraw/zinc/27/10/30/393271030.db2.gz WAZSIPHUEPMFER-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@H]1CC[C@@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000429561273 393479251 /nfs/dbraw/zinc/47/92/51/393479251.db2.gz QFTXCRMWIOUFFF-DZGCQCFKSA-N 0 3 267.376 3.431 20 30 CGEDHN C=C(CC)CN1CCC(c2noc(C3CC3)n2)CC1 ZINC000360361065 393565344 /nfs/dbraw/zinc/56/53/44/393565344.db2.gz PPNYVKBWXGLJNJ-UHFFFAOYSA-N 0 3 261.369 3.093 20 30 CGEDHN CCc1cnccc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000361131966 393679975 /nfs/dbraw/zinc/67/99/75/393679975.db2.gz MPUFZLXUPGDYIZ-CQSZACIVSA-N 0 3 295.386 3.245 20 30 CGEDHN N#Cc1cc(F)ccc1CN[C@@H]1CC2CCC1CC2 ZINC000433068975 393681619 /nfs/dbraw/zinc/68/16/19/393681619.db2.gz TZQXPEGWZAUYGF-ZEPSKSRBSA-N 0 3 258.340 3.366 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(F)cc1C#N)c1ccsc1 ZINC000361161260 393689962 /nfs/dbraw/zinc/68/99/62/393689962.db2.gz HTJBXWOEMNLCDM-HNNXBMFYSA-N 0 3 289.379 3.474 20 30 CGEDHN CC1(C)CCCN(CCNc2cccc(F)c2C#N)C1 ZINC000443966158 393779198 /nfs/dbraw/zinc/77/91/98/393779198.db2.gz RXHJQSGELZLBIK-UHFFFAOYSA-N 0 3 275.371 3.231 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(COC)on1 ZINC000668434668 543012629 /nfs/dbraw/zinc/01/26/29/543012629.db2.gz PWLHHQPPSFNNFS-DOMZBBRYSA-N 0 3 264.369 3.046 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000668625621 543037324 /nfs/dbraw/zinc/03/73/24/543037324.db2.gz VVTMIYNYKYEQKZ-CABCVRRESA-N 0 3 275.392 3.251 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000671245054 543164438 /nfs/dbraw/zinc/16/44/38/543164438.db2.gz XVVUUDKNQPLRJO-INIZCTEOSA-N 0 3 281.346 3.081 20 30 CGEDHN Cc1ccncc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000676103567 543382349 /nfs/dbraw/zinc/38/23/49/543382349.db2.gz CPFBBWUXCFFOHF-AWEZNQCLSA-N 0 3 287.322 3.428 20 30 CGEDHN C=CCN(CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccccc1 ZINC000677476346 543450822 /nfs/dbraw/zinc/45/08/22/543450822.db2.gz NLJBXTXAIXPDFW-UHFFFAOYSA-N 0 3 297.402 3.151 20 30 CGEDHN COCC#CCN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000677816881 543467404 /nfs/dbraw/zinc/46/74/04/543467404.db2.gz CELUYMOLXCLFGW-QGZVFWFLSA-N 0 3 257.377 3.172 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OCCC)c(OC)c1 ZINC000678745700 543553288 /nfs/dbraw/zinc/55/32/88/543553288.db2.gz SCNJVUKRQHBJGG-UKRRQHHQSA-N 0 3 293.407 3.072 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(SCC)cc1 ZINC000678764046 543554069 /nfs/dbraw/zinc/55/40/69/543554069.db2.gz KXJNKTFXSABAEF-WFASDCNBSA-N 0 3 265.422 3.386 20 30 CGEDHN COCC#CCN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000678729201 543551057 /nfs/dbraw/zinc/55/10/57/543551057.db2.gz LTSJNOOEIDCSLW-NSHDSACASA-N 0 3 271.282 3.006 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000678791049 543559511 /nfs/dbraw/zinc/55/95/11/543559511.db2.gz JUQOWWPWBAGUQY-GJZGRUSLSA-N 0 3 267.376 3.325 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)CCC(C)(C)C#N)C1(C)C ZINC000345709975 286246307 /nfs/dbraw/zinc/24/63/07/286246307.db2.gz CGQBMEOJWRGURM-CHWSQXEVSA-N 0 3 252.402 3.062 20 30 CGEDHN Cc1ccc([C@H]2CCCCCN2C(=O)C(C)C#N)o1 ZINC000335680351 292262346 /nfs/dbraw/zinc/26/23/46/292262346.db2.gz UOKKIKMLPREFEG-DGCLKSJQSA-N 0 3 260.337 3.191 20 30 CGEDHN CC(C)[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093440651 287116486 /nfs/dbraw/zinc/11/64/86/287116486.db2.gz VTQDCRDQFKJTHT-MRXNPFEDSA-N 0 3 296.418 3.464 20 30 CGEDHN C[C@@H](c1ccc(C#N)c(F)c1)N1CCC[C@@]2(CCOC2)C1 ZINC000334531897 287130293 /nfs/dbraw/zinc/13/02/93/287130293.db2.gz XZELXVRPFOWPDA-SUMWQHHRSA-N 0 3 288.366 3.261 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000122797256 287212758 /nfs/dbraw/zinc/21/27/58/287212758.db2.gz NUZUMKUFYMULRN-ZWNOBZJWSA-N 0 3 275.783 3.249 20 30 CGEDHN CC[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000125868685 287252125 /nfs/dbraw/zinc/25/21/25/287252125.db2.gz GDOHYNAIPPQCSX-CYBMUJFWSA-N 0 3 253.349 3.043 20 30 CGEDHN COc1ccccc1[C@@H](CC(C)C)NC(=O)C(C)C#N ZINC000349572295 416542041 /nfs/dbraw/zinc/54/20/41/416542041.db2.gz YVIVYCGXAPCOIL-TZMCWYRMSA-N 0 3 274.364 3.058 20 30 CGEDHN COCC#CCN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000679221038 543601453 /nfs/dbraw/zinc/60/14/53/543601453.db2.gz PLARBLXDEWBGCN-OAHLLOKOSA-N 0 3 275.367 3.045 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1n[nH]c2ccccc21 ZINC000679364745 543629851 /nfs/dbraw/zinc/62/98/51/543629851.db2.gz LYCVQMKKDTYIAL-UHFFFAOYSA-N 0 3 281.359 3.387 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1[nH]nc2ccccc21 ZINC000679364745 543629855 /nfs/dbraw/zinc/62/98/55/543629855.db2.gz LYCVQMKKDTYIAL-UHFFFAOYSA-N 0 3 281.359 3.387 20 30 CGEDHN C=CCOCCNCc1ccc(OCC(C)C)cc1 ZINC000679486225 543640494 /nfs/dbraw/zinc/64/04/94/543640494.db2.gz GEMAHZASJVFPMH-UHFFFAOYSA-N 0 3 263.381 3.014 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000679576262 543647930 /nfs/dbraw/zinc/64/79/30/543647930.db2.gz LISZMWIXQLYZEE-NSHDSACASA-N 0 3 269.385 3.401 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000679576174 543648196 /nfs/dbraw/zinc/64/81/96/543648196.db2.gz JYJNFOSYWLJFGM-NSHDSACASA-N 0 3 269.772 3.202 20 30 CGEDHN CC(C#N)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000334626578 225167702 /nfs/dbraw/zinc/16/77/02/225167702.db2.gz SBSBBPMYRXXHAX-MRVPVSSYSA-N 0 3 283.158 3.258 20 30 CGEDHN CC#CCCN1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000680884883 543741975 /nfs/dbraw/zinc/74/19/75/543741975.db2.gz BVJUQRUNZXIDFB-MRXNPFEDSA-N 0 3 282.431 3.315 20 30 CGEDHN COCC#CCN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000680401832 543708889 /nfs/dbraw/zinc/70/88/89/543708889.db2.gz HURFLNPXDPCELH-OLZOCXBDSA-N 0 3 299.336 3.437 20 30 CGEDHN CC#CCCCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000680997135 543754556 /nfs/dbraw/zinc/75/45/56/543754556.db2.gz UCUXHMBBYKBOQI-UHFFFAOYSA-N 0 3 298.430 3.307 20 30 CGEDHN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(C)C#N ZINC000334781063 225320234 /nfs/dbraw/zinc/32/02/34/225320234.db2.gz NOIUYRLBRLVZFP-ONGXEEELSA-N 0 3 256.305 3.078 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000334852036 225338083 /nfs/dbraw/zinc/33/80/83/225338083.db2.gz JXSRKLJNDRALNS-RDTXWAMCSA-N 0 3 290.366 3.472 20 30 CGEDHN Cc1cccc(CN(Cc2ccco2)C(=O)C(C)C#N)c1 ZINC000347061304 226010370 /nfs/dbraw/zinc/01/03/70/226010370.db2.gz FDSJNORWRNCVOW-AWEZNQCLSA-N 0 3 282.343 3.277 20 30 CGEDHN C=CCC1(NC(=O)Nc2cccc(CNC)c2)CCCC1 ZINC000659018142 418956749 /nfs/dbraw/zinc/95/67/49/418956749.db2.gz FJOPEALAIVRRBK-UHFFFAOYSA-N 0 3 287.407 3.416 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655272685 419034240 /nfs/dbraw/zinc/03/42/40/419034240.db2.gz WNOMGBSBVYKRGE-UHFFFAOYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCCn1cc(CNC(C)(C)CCc2ccccc2)nn1 ZINC000653540301 419044453 /nfs/dbraw/zinc/04/44/53/419044453.db2.gz BXZUMRGTMJYFGR-UHFFFAOYSA-N 0 3 298.434 3.355 20 30 CGEDHN C=C(C)CNCc1cn(-c2ccc(C)cc2)nc1C ZINC000655770633 419091827 /nfs/dbraw/zinc/09/18/27/419091827.db2.gz NAQNOEKXRSHUSB-UHFFFAOYSA-N 0 3 255.365 3.155 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cc2n(n1)CCCC2 ZINC000655781189 419096690 /nfs/dbraw/zinc/09/66/90/419096690.db2.gz BMICGZXPANCNEK-KRWDZBQOSA-N 0 3 295.430 3.496 20 30 CGEDHN C=CCN(Cc1cc(F)ccc1C)[C@H](C)COC ZINC000661238952 419243104 /nfs/dbraw/zinc/24/31/04/419243104.db2.gz AQKWWODLKKDJIV-CYBMUJFWSA-N 0 3 251.345 3.157 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(OCC)cn2)C1 ZINC000661380270 419255395 /nfs/dbraw/zinc/25/53/95/419255395.db2.gz LWFVZRAUDWTEGH-CQSZACIVSA-N 0 3 260.381 3.268 20 30 CGEDHN C=CC[C@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000661381946 419256048 /nfs/dbraw/zinc/25/60/48/419256048.db2.gz QOQGSARFIIMZRH-AWEZNQCLSA-N 0 3 297.402 3.166 20 30 CGEDHN C=CCCn1cc(CNC[C@@H](C)c2cccc(C)c2)nn1 ZINC000657374498 419263443 /nfs/dbraw/zinc/26/34/43/419263443.db2.gz NSLJGUAQZSOVNB-OAHLLOKOSA-N 0 3 284.407 3.056 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C)n1CCC ZINC000661114769 419232054 /nfs/dbraw/zinc/23/20/54/419232054.db2.gz MCIAPUJSMNIDCT-LSDHHAIUSA-N 0 3 276.428 3.221 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(N)c2ccccc2n1 ZINC000661117584 419232193 /nfs/dbraw/zinc/23/21/93/419232193.db2.gz SFXRZOYIBGZCQG-UKRRQHHQSA-N 0 3 296.418 3.437 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncnn1C(C)C ZINC000661115001 419232305 /nfs/dbraw/zinc/23/23/05/419232305.db2.gz OBENGOBAJDBLPE-KBPBESRZSA-N 0 3 262.401 3.084 20 30 CGEDHN C=CCCn1cc(CNCC(C)(C)C2=CCCCC2)nn1 ZINC000657438228 419279093 /nfs/dbraw/zinc/27/90/93/419279093.db2.gz XCHYSWHRWGJMOY-UHFFFAOYSA-N 0 3 288.439 3.470 20 30 CGEDHN C=CCC1(NCc2csc(C3CC3)n2)CCOCC1 ZINC000657632936 419317321 /nfs/dbraw/zinc/31/73/21/419317321.db2.gz DATMJQQKCUPUET-UHFFFAOYSA-N 0 3 278.421 3.235 20 30 CGEDHN C=CCC1(NCc2nccn2-c2ccccc2)CCOCC1 ZINC000657633221 419317454 /nfs/dbraw/zinc/31/74/54/419317454.db2.gz KHXOVODFGNMBID-UHFFFAOYSA-N 0 3 297.402 3.087 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C(C)(C)C)c1 ZINC000662088793 419335044 /nfs/dbraw/zinc/33/50/44/419335044.db2.gz MZWZOVBDCMXXAS-GASCZTMLSA-N 0 3 259.397 3.321 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cncc(Br)c1 ZINC000657926933 419444859 /nfs/dbraw/zinc/44/48/59/419444859.db2.gz NYUNYLNSKKUWDI-LLVKDONJSA-N 0 3 299.212 3.087 20 30 CGEDHN C=CCCN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000658116662 419591750 /nfs/dbraw/zinc/59/17/50/419591750.db2.gz MRXZPBJILKXTFT-LLVKDONJSA-N 0 3 276.771 3.147 20 30 CGEDHN Cc1ccc(F)cc1CNCCOc1ccc(C#N)cc1 ZINC000180252589 260097379 /nfs/dbraw/zinc/09/73/79/260097379.db2.gz MHHWRCLFGMJGAA-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN C=C(CNCc1cnc(N(C)C)s1)c1ccccc1 ZINC000299306758 260181385 /nfs/dbraw/zinc/18/13/85/260181385.db2.gz CMZUVARDLQDEKN-UHFFFAOYSA-N 0 3 273.405 3.012 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1ccc(OC)cc1 ZINC000090450862 260359761 /nfs/dbraw/zinc/35/97/61/260359761.db2.gz XDIUFXYVULZUGP-MRXNPFEDSA-N 0 3 263.381 3.329 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(N3CCCCC3)c2)C1 ZINC000185712151 262067783 /nfs/dbraw/zinc/06/77/83/262067783.db2.gz WKKDXWJXTFIQIA-NVXWUHKLSA-N 0 3 298.434 3.244 20 30 CGEDHN COCc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1F ZINC000185713933 262067861 /nfs/dbraw/zinc/06/78/61/262067861.db2.gz PQXBWSOWOOONQC-SWLSCSKDSA-N 0 3 276.355 3.144 20 30 CGEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185768680 262069659 /nfs/dbraw/zinc/06/96/59/262069659.db2.gz SXXKYZBGCGYBQU-IVMMDQJWSA-N 0 3 285.391 3.378 20 30 CGEDHN CO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185793660 262071205 /nfs/dbraw/zinc/07/12/05/262071205.db2.gz QWGFTDMTLZTUTR-NUEKZKHPSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCOc1ccc(CNCc2cccc(CO)c2)cc1 ZINC000222120273 262311668 /nfs/dbraw/zinc/31/16/68/262311668.db2.gz IUCLOPWTKSZVCP-UHFFFAOYSA-N 0 3 283.371 3.034 20 30 CGEDHN N#CCCCNCc1cc(Cl)cc2cccnc21 ZINC000273070049 263012124 /nfs/dbraw/zinc/01/21/24/263012124.db2.gz OFOUXGSGXAMPSV-UHFFFAOYSA-N 0 3 259.740 3.282 20 30 CGEDHN Cc1cc(CN[C@@H]2CCC[C@H](C#N)C2)cc(N2CCCC2)n1 ZINC000289731364 263111544 /nfs/dbraw/zinc/11/15/44/263111544.db2.gz KCTQVKQUCCOMSK-DOTOQJQBSA-N 0 3 298.434 3.162 20 30 CGEDHN C[C@@H]1SCCN(CCOCCC#N)[C@@H]1c1ccccc1 ZINC000293027246 263137141 /nfs/dbraw/zinc/13/71/41/263137141.db2.gz ITTBWIIVTJLIGV-HOCLYGCPSA-N 0 3 290.432 3.095 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CC2(C)C)cc1OC ZINC000340422045 263139136 /nfs/dbraw/zinc/13/91/36/263139136.db2.gz ZTRHMNANZJLXEU-OAHLLOKOSA-N 0 3 261.365 3.148 20 30 CGEDHN CN(CCOc1ccccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000293389191 263139614 /nfs/dbraw/zinc/13/96/14/263139614.db2.gz GSGLQEBXECJMOF-QWHCGFSZSA-N 0 3 278.783 3.343 20 30 CGEDHN CCN(CCOCCC#N)[C@@H](C)c1cccc(OC)c1 ZINC000293441115 263140479 /nfs/dbraw/zinc/14/04/79/263140479.db2.gz KADYDFBABGOHPB-AWEZNQCLSA-N 0 3 276.380 3.008 20 30 CGEDHN C=CCCC1(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000353562762 263165484 /nfs/dbraw/zinc/16/54/84/263165484.db2.gz PUQLXVKUZDIHHV-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN COc1ccc(F)cc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000294957499 263169754 /nfs/dbraw/zinc/16/97/54/263169754.db2.gz DNSOMDFRQKPYJE-FZMZJTMJSA-N 0 3 262.328 3.006 20 30 CGEDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295014249 263170903 /nfs/dbraw/zinc/17/09/03/263170903.db2.gz JUWZYJRCGHYHKX-AGIUHOORSA-N 0 3 274.364 3.134 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1cccc(C2CC2)c1 ZINC000295447428 263177773 /nfs/dbraw/zinc/17/77/73/263177773.db2.gz PFSFRCQWJRGDNV-CYBMUJFWSA-N 0 3 258.365 3.145 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000298861859 263227185 /nfs/dbraw/zinc/22/71/85/263227185.db2.gz JBFQFZDDJRFYNM-ZIAGYGMSSA-N 0 3 268.364 3.215 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2cncc(F)c2)CC1 ZINC000341138136 263324008 /nfs/dbraw/zinc/32/40/08/263324008.db2.gz PVZCBNKBSNLRKU-CQSZACIVSA-N 0 3 277.387 3.088 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(Cl)ccc1OC ZINC000341869324 263360655 /nfs/dbraw/zinc/36/06/55/263360655.db2.gz BDUWGXGBDCTHGG-NEPJUHHUSA-N 0 3 283.799 3.184 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccccc1Br ZINC000341885446 263362925 /nfs/dbraw/zinc/36/29/25/263362925.db2.gz XGGDEDLMVJDJQD-NWDGAFQWSA-N 0 3 298.224 3.284 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)C[C@@H]1CCCOC1 ZINC000160097928 264223732 /nfs/dbraw/zinc/22/37/32/264223732.db2.gz WAHCCIOQLAASBP-HNNXBMFYSA-N 0 3 277.795 3.050 20 30 CGEDHN C=C(C)[C@@H](NC[C@](C)(O)CC)c1ccc(F)c(F)c1 ZINC000189237876 264279528 /nfs/dbraw/zinc/27/95/28/264279528.db2.gz FKEKLWVWMCXVIN-HUUCEWRRSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCOc1cccc(CN2CCC(CC)(CO)CC2)c1 ZINC000129816912 264332655 /nfs/dbraw/zinc/33/26/55/264332655.db2.gz QHMYBHLWTVTNIR-UHFFFAOYSA-N 0 3 289.419 3.236 20 30 CGEDHN C=CCCCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000519310485 265390116 /nfs/dbraw/zinc/39/01/16/265390116.db2.gz LINBNZKHLGJJEW-UHFFFAOYSA-N 0 3 272.392 3.363 20 30 CGEDHN COc1cccc2c1CCN(Cc1cccc(C#N)c1)CC2 ZINC000193706677 270079787 /nfs/dbraw/zinc/07/97/87/270079787.db2.gz QSWMTPZZCBKODV-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN C=C(CNCc1cnn2ccccc12)c1ccccc1 ZINC000356902934 266208239 /nfs/dbraw/zinc/20/82/39/266208239.db2.gz OWXNSWKAOYUBNH-UHFFFAOYSA-N 0 3 263.344 3.137 20 30 CGEDHN C=CCCCCCN1CCC[C@H]1C(=O)N(CC)CC ZINC000362934941 267063219 /nfs/dbraw/zinc/06/32/19/267063219.db2.gz NGWAIRQBDKEITB-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCC[C@@H](NCC1(O)Cc2ccccc2C1)c1ccco1 ZINC000367614165 267104644 /nfs/dbraw/zinc/10/46/44/267104644.db2.gz HNVPPJQNWIJYNN-QGZVFWFLSA-N 0 3 297.398 3.406 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000120108507 267381726 /nfs/dbraw/zinc/38/17/26/267381726.db2.gz ORXQJYIZYZGZHR-CABCVRRESA-N 0 3 266.429 3.064 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000528757762 270171282 /nfs/dbraw/zinc/17/12/82/270171282.db2.gz FVDQOPJLJWBGTL-RSQPEXBXSA-N 0 3 278.783 3.113 20 30 CGEDHN CN1CC[C@H](NCc2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000245649861 273924867 /nfs/dbraw/zinc/92/48/67/273924867.db2.gz MQCCAJPRLJYLJR-DLBZAZTESA-N 0 3 297.427 3.155 20 30 CGEDHN CC1(C)OCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000294609046 275881791 /nfs/dbraw/zinc/88/17/91/275881791.db2.gz DREXHMDEIGJRIJ-CQSZACIVSA-N 0 3 297.320 3.214 20 30 CGEDHN CCCC[C@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000352821226 275986150 /nfs/dbraw/zinc/98/61/50/275986150.db2.gz GVTFTRIIDKKBIB-WCQYABFASA-N 0 3 263.410 3.463 20 30 CGEDHN CC1(C#N)CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000335973963 276096783 /nfs/dbraw/zinc/09/67/83/276096783.db2.gz ATSLKJVFCZKKPI-CVEARBPZSA-N 0 3 254.377 3.416 20 30 CGEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1)c1ccsc1 ZINC000048520186 276792376 /nfs/dbraw/zinc/79/23/76/276792376.db2.gz VWVYSGKOMBXOPS-MRXNPFEDSA-N 0 3 285.416 3.012 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000186707948 276907576 /nfs/dbraw/zinc/90/75/76/276907576.db2.gz XMFCPKBOJOXURY-JBLDHEPKSA-N 0 3 269.435 3.200 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2csc(Br)c2)C1 ZINC000335286313 335088239 /nfs/dbraw/zinc/08/82/39/335088239.db2.gz OLFREFKFDMWGHH-WCBMZHEXSA-N 0 3 285.210 3.292 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCCCO1 ZINC000271931906 277626867 /nfs/dbraw/zinc/62/68/67/277626867.db2.gz JVHXFMDCGQSRDF-WOSRLPQWSA-N 0 3 258.365 3.166 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccncn2)CC1 ZINC000298139830 278411990 /nfs/dbraw/zinc/41/19/90/278411990.db2.gz LMSMYWHWLURMDF-AWEZNQCLSA-N 0 3 292.386 3.289 20 30 CGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccnc1 ZINC000335184605 279520191 /nfs/dbraw/zinc/52/01/91/279520191.db2.gz MRHXOGTYRIVERE-YVEFUNNKSA-N 0 3 263.344 3.291 20 30 CGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccnc1 ZINC000335184603 279548401 /nfs/dbraw/zinc/54/84/01/279548401.db2.gz MRHXOGTYRIVERE-SJCJKPOMSA-N 0 3 263.344 3.291 20 30 CGEDHN CC1(C)CCC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331167075 281068356 /nfs/dbraw/zinc/06/83/56/281068356.db2.gz MXZMPTWFWXBKSV-ZIAGYGMSSA-N 0 3 271.364 3.303 20 30 CGEDHN Cc1nc(NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1C#N ZINC000291699170 281974954 /nfs/dbraw/zinc/97/49/54/281974954.db2.gz UEHWZERHPODVKV-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN Cc1nc2c(s1)[C@@H](NCc1ccc(C#N)cc1)CCC2 ZINC000366214381 282035805 /nfs/dbraw/zinc/03/58/05/282035805.db2.gz OOZPVJJOABSYAR-AWEZNQCLSA-N 0 3 283.400 3.490 20 30 CGEDHN CCC(CC)N(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000552829387 289199794 /nfs/dbraw/zinc/19/97/94/289199794.db2.gz IYYXTYGPGVOJOE-UHFFFAOYSA-N 0 3 285.391 3.150 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000266763961 290219303 /nfs/dbraw/zinc/21/93/03/290219303.db2.gz QQTOBVDFILUWPT-CYBMUJFWSA-N 0 3 280.375 3.222 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1csc(Cl)c1 ZINC000309569552 327814967 /nfs/dbraw/zinc/81/49/67/327814967.db2.gz NGKBSXMURLDMBD-UWVGGRQHSA-N 0 3 259.802 3.237 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000185767698 327845001 /nfs/dbraw/zinc/84/50/01/327845001.db2.gz QLJAPRSOIYEMFO-CQDKDKBSSA-N 0 3 278.783 3.045 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2-n2cccn2)C1 ZINC000192775992 327877633 /nfs/dbraw/zinc/87/76/33/327877633.db2.gz IYFQKVXFJKWVBH-GDBMZVCRSA-N 0 3 280.375 3.044 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000411267099 328081359 /nfs/dbraw/zinc/08/13/59/328081359.db2.gz KQWJHRFWTBXJAV-GDBMZVCRSA-N 0 3 258.365 3.222 20 30 CGEDHN N#CC1(CCN(CCO)[C@H]2CCCSC2)CCCCC1 ZINC000411665512 328098119 /nfs/dbraw/zinc/09/81/19/328098119.db2.gz KKGVPFZDCVOAOL-HNNXBMFYSA-N 0 3 296.480 3.040 20 30 CGEDHN C=CCN1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412084343 328103236 /nfs/dbraw/zinc/10/32/36/328103236.db2.gz YUPMRBOQEGTRQJ-ZDUSSCGKSA-N 0 3 253.386 3.006 20 30 CGEDHN CCC[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)OC ZINC000293543901 328103240 /nfs/dbraw/zinc/10/32/40/328103240.db2.gz AYBYRYOUDHGVBM-BBRMVZONSA-N 0 3 276.380 3.055 20 30 CGEDHN Cc1cc(NCC(C)(C)CC#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000413412727 328145842 /nfs/dbraw/zinc/14/58/42/328145842.db2.gz SMBPKNIVKJNNGU-UHFFFAOYSA-N 0 3 298.346 3.225 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414576443 328197162 /nfs/dbraw/zinc/19/71/62/328197162.db2.gz GGVBJRPMGNQBLV-HUUCEWRRSA-N 0 3 269.344 3.490 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000280949674 328237224 /nfs/dbraw/zinc/23/72/24/328237224.db2.gz HIEGFDVWOOTNSX-OCUXDJNSSA-N 0 3 290.407 3.082 20 30 CGEDHN CCN(Cc1ccc(OC)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293556647 328276575 /nfs/dbraw/zinc/27/65/75/328276575.db2.gz RQNWZLUEEUEKCA-CABCVRRESA-N 0 3 258.365 3.209 20 30 CGEDHN C=C(C)CNCc1cccc(OCC(F)(F)F)c1 ZINC000119643160 328307346 /nfs/dbraw/zinc/30/73/46/328307346.db2.gz VYTDZRLNNPIEDS-UHFFFAOYSA-N 0 3 259.271 3.293 20 30 CGEDHN C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047876 322057115 /nfs/dbraw/zinc/05/71/15/322057115.db2.gz XUUHQUTXNUOWGX-GFCCVEGCSA-N 0 3 273.336 3.231 20 30 CGEDHN CCC[C@]1(C)CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000565421709 322076802 /nfs/dbraw/zinc/07/68/02/322076802.db2.gz AWFGBMOYDVBMQQ-QGZVFWFLSA-N 0 3 297.406 3.003 20 30 CGEDHN CCCCC[C@@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000567246633 322155941 /nfs/dbraw/zinc/15/59/41/322155941.db2.gz PJJYSDNWLFGAIF-MRXNPFEDSA-N 0 3 257.381 3.498 20 30 CGEDHN C[C@H](CCNCc1cnc2c(C#N)cnn2c1)CC(C)(C)C ZINC000567888733 322181689 /nfs/dbraw/zinc/18/16/89/322181689.db2.gz PTVMMUCSKNQUPJ-CYBMUJFWSA-N 0 3 299.422 3.153 20 30 CGEDHN C[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC000569344618 322244119 /nfs/dbraw/zinc/24/41/19/322244119.db2.gz TXETZIGGRZAFHD-LALPHHSUSA-N 0 3 287.363 3.381 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](O)C(CC)CC ZINC000111404491 328354407 /nfs/dbraw/zinc/35/44/07/328354407.db2.gz QSJUNFIKWGNEAU-MRXNPFEDSA-N 0 3 277.408 3.138 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(OCC)c(OC)c1 ZINC000341470056 328411737 /nfs/dbraw/zinc/41/17/37/328411737.db2.gz NJXRNQIBKZTYLI-UKRRQHHQSA-N 0 3 293.407 3.072 20 30 CGEDHN Cc1ccc2nccc(N3CCC(F)(C#N)CC3)c2c1 ZINC000343233014 328439249 /nfs/dbraw/zinc/43/92/49/328439249.db2.gz GTPZMKMVFSXCRG-UHFFFAOYSA-N 0 3 269.323 3.375 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1cc(C)nc(N2CCCC2)n1 ZINC000293218269 328544486 /nfs/dbraw/zinc/54/44/86/328544486.db2.gz AHDISKFQUWRNNG-DZGCQCFKSA-N 0 3 288.439 3.076 20 30 CGEDHN C[C@H](c1cccc(F)c1)N1CCN(CCCCC#N)CC1 ZINC000159465242 327197147 /nfs/dbraw/zinc/19/71/47/327197147.db2.gz KJRWUKFJYFRFDF-OAHLLOKOSA-N 0 3 289.398 3.198 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OCC(F)(F)F)nc1 ZINC000119774744 327267417 /nfs/dbraw/zinc/26/74/17/327267417.db2.gz CVZYBLLRCQNTLJ-UHFFFAOYSA-N 0 3 288.313 3.421 20 30 CGEDHN C[C@@H](NCC1CCC(C#N)CC1)c1cn2ccccc2n1 ZINC000559920348 327271896 /nfs/dbraw/zinc/27/18/96/327271896.db2.gz VQWYQSMSYPYFFI-WLYUNCDWSA-N 0 3 282.391 3.315 20 30 CGEDHN C=C[C@H](CO)N[C@H](CC)c1cccc(Br)c1 ZINC000289560400 327531395 /nfs/dbraw/zinc/53/13/95/327531395.db2.gz AKADUPKMKYQQPG-CHWSQXEVSA-N 0 3 284.197 3.037 20 30 CGEDHN C=CCC[C@H](O)CN1CC=C(c2ccc(OC)cc2)CC1 ZINC000378158903 329041746 /nfs/dbraw/zinc/04/17/46/329041746.db2.gz HEEIACXXDACCQA-KRWDZBQOSA-N 0 3 287.403 3.111 20 30 CGEDHN Cc1ccnc([C@H]2CCN(CCC(C)(C)C#N)C2)c1 ZINC000584358902 329103662 /nfs/dbraw/zinc/10/36/62/329103662.db2.gz KQEZOIPHKRSKGY-AWEZNQCLSA-N 0 3 257.381 3.119 20 30 CGEDHN C=CC[C@H](C)N[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000180949332 329224187 /nfs/dbraw/zinc/22/41/87/329224187.db2.gz QNYGAXFRCCEJMC-NWDGAFQWSA-N 0 3 288.370 3.330 20 30 CGEDHN C=C(C)CN(C)Cc1cccc(OCCCOC)c1 ZINC000181042845 329225162 /nfs/dbraw/zinc/22/51/62/329225162.db2.gz YJNOGETVKNWIMW-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccccc1F ZINC000181050973 329225387 /nfs/dbraw/zinc/22/53/87/329225387.db2.gz GJGDRCRBOCZNNZ-UHFFFAOYSA-N 0 3 259.328 3.224 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(Oc2cnccn2)cc1 ZINC000181047992 329225400 /nfs/dbraw/zinc/22/54/00/329225400.db2.gz KPSJZLRYPFDELB-UHFFFAOYSA-N 0 3 269.348 3.277 20 30 CGEDHN C=CCCCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425608867 329553732 /nfs/dbraw/zinc/55/37/32/329553732.db2.gz PIVJWNRZHQPAQJ-INIZCTEOSA-N 0 3 286.419 3.252 20 30 CGEDHN CN(C)Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000068262811 329852240 /nfs/dbraw/zinc/85/22/40/329852240.db2.gz RCZGBAMVTSSIOM-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN Cc1nc(C(C)(C)NCCCCC#N)sc1C ZINC000072865728 329859555 /nfs/dbraw/zinc/85/95/55/329859555.db2.gz DCNQCUVSILHGCN-UHFFFAOYSA-N 0 3 251.399 3.279 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000253354705 329962518 /nfs/dbraw/zinc/96/25/18/329962518.db2.gz HYRGRWHNNRWQQM-OSAQELSMSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccncc1Cl ZINC000421831332 330086356 /nfs/dbraw/zinc/08/63/56/330086356.db2.gz DCIKWSCJGFXNGI-JTQLQIEISA-N 0 3 256.802 3.305 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000274798601 330107848 /nfs/dbraw/zinc/10/78/48/330107848.db2.gz UKZZZBUCXFZPDS-UHFFFAOYSA-N 0 3 286.419 3.109 20 30 CGEDHN CCCn1ccc2ccc(NC(=O)[C@H](N)CCCC#N)cc21 ZINC000424118342 330244112 /nfs/dbraw/zinc/24/41/12/330244112.db2.gz DGAMZJVCFQEMFM-OAHLLOKOSA-N 0 3 298.390 3.011 20 30 CGEDHN C=CCOc1ccc(CN2[C@H](C)C[C@H]2C)cc1OC ZINC000527529705 330258456 /nfs/dbraw/zinc/25/84/56/330258456.db2.gz UXPFOZUHZZAENT-CHWSQXEVSA-N 0 3 261.365 3.243 20 30 CGEDHN N#C[C@H]1CC[C@@H](NC/C=C/c2ccc(F)cc2F)C1 ZINC000424194923 330324546 /nfs/dbraw/zinc/32/45/46/330324546.db2.gz MGBHDBMBEQWDMS-HXYTZKKKSA-N 0 3 262.303 3.260 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424316677 330339618 /nfs/dbraw/zinc/33/96/18/330339618.db2.gz BBFOTUQFMVQUSO-KCQAQPDRSA-N 0 3 258.365 3.428 20 30 CGEDHN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1F ZINC000424319130 330339892 /nfs/dbraw/zinc/33/98/92/330339892.db2.gz DWMRWGUGUXMBGN-GMXVVIOVSA-N 0 3 262.328 3.177 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000424327588 330341687 /nfs/dbraw/zinc/34/16/87/330341687.db2.gz MYODMNXBDOHXBR-GHJWDPDVSA-N 0 3 285.347 3.254 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000424329181 330341948 /nfs/dbraw/zinc/34/19/48/330341948.db2.gz PIYIKWJAXNMYBY-NJZAAPMLSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCC[C@H](N[C@@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000089637802 330386683 /nfs/dbraw/zinc/38/66/83/330386683.db2.gz NQCSGUTXUFHWJT-HOCLYGCPSA-N 0 3 295.448 3.107 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120421168 330388545 /nfs/dbraw/zinc/38/85/45/330388545.db2.gz ZHVFXBQKYCKMTK-ZBFHGGJFSA-N 0 3 295.810 3.120 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000424771372 330484159 /nfs/dbraw/zinc/48/41/59/330484159.db2.gz CNJKQEREQYIAEZ-ZBFHGGJFSA-N 0 3 288.435 3.396 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNCC[C@H]2CCOC2)cc1 ZINC000437776257 330708247 /nfs/dbraw/zinc/70/82/47/330708247.db2.gz QRPRVEPFFBFWPQ-AWEZNQCLSA-N 0 3 297.320 3.073 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000448641481 330753575 /nfs/dbraw/zinc/75/35/75/330753575.db2.gz XNDIGTDPCYRMDU-MRXNPFEDSA-N 0 3 288.435 3.398 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccncc1OCC(F)F ZINC000441390027 330767503 /nfs/dbraw/zinc/76/75/03/330767503.db2.gz WHFWVQUUZYTKLA-UHFFFAOYSA-N 0 3 297.349 3.145 20 30 CGEDHN CO[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000442786486 330783239 /nfs/dbraw/zinc/78/32/39/330783239.db2.gz BUQGTVLZLOMTHG-TUKIKUTGSA-N 0 3 278.783 3.309 20 30 CGEDHN C=CC[C@H](C)NCc1cc(Br)cc2c1OCC2 ZINC000159275149 330845704 /nfs/dbraw/zinc/84/57/04/330845704.db2.gz ROEMDCCWKCHPIT-JTQLQIEISA-N 0 3 296.208 3.438 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCc3c(F)cccc32)C1 ZINC000449353199 330917881 /nfs/dbraw/zinc/91/78/81/330917881.db2.gz YWYOEEKPQFERCB-HSMVNMDESA-N 0 3 258.340 3.485 20 30 CGEDHN C=C(CC)CNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000449730012 330946125 /nfs/dbraw/zinc/94/61/25/330946125.db2.gz CGXHTTQOMFJEIN-GFCCVEGCSA-N 0 3 261.365 3.074 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000451269649 331022620 /nfs/dbraw/zinc/02/26/20/331022620.db2.gz RFCDLYNXZIQGBP-GOEBONIOSA-N 0 3 288.435 3.315 20 30 CGEDHN C=C(CC)CN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451337008 331024839 /nfs/dbraw/zinc/02/48/39/331024839.db2.gz WPMPNOCLGWKXGI-CQSZACIVSA-N 0 3 253.773 3.271 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000451679045 331038756 /nfs/dbraw/zinc/03/87/56/331038756.db2.gz GCSVVLIPPVNCLC-CVEARBPZSA-N 0 3 275.779 3.015 20 30 CGEDHN CC[C@@H]1CN(CC)CCN1CC#Cc1cccc(Cl)c1 ZINC000451740499 331040851 /nfs/dbraw/zinc/04/08/51/331040851.db2.gz METXUNMTQWRZMI-QGZVFWFLSA-N 0 3 290.838 3.108 20 30 CGEDHN C=CC(C)(C)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000452774832 331076267 /nfs/dbraw/zinc/07/62/67/331076267.db2.gz FZPBWKTVVJYVCC-UHFFFAOYSA-N 0 3 286.419 3.224 20 30 CGEDHN N#CCCCN[C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453195917 331100121 /nfs/dbraw/zinc/10/01/21/331100121.db2.gz QECXBTVYRHWUTA-HZPDHXFCSA-N 0 3 292.810 3.323 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)cc1F ZINC000453342726 331119456 /nfs/dbraw/zinc/11/94/56/331119456.db2.gz IVCFAMFFVGRADK-VQISRLSMSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1csc(Cl)c1 ZINC000453352558 331120832 /nfs/dbraw/zinc/12/08/32/331120832.db2.gz JOWHPKKUPVEJKC-GDPRMGEGSA-N 0 3 257.786 3.396 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453376501 331124973 /nfs/dbraw/zinc/12/49/73/331124973.db2.gz XIGSYDOELWCNQQ-ZBFHGGJFSA-N 0 3 299.418 3.065 20 30 CGEDHN C=CCC1(NC(=O)C2CCN(C3CC3)CC2)CCCCC1 ZINC000456367130 331191286 /nfs/dbraw/zinc/19/12/86/331191286.db2.gz NGYMRCAHZFRRPA-UHFFFAOYSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)CC1CCN(C)CC1 ZINC000486356818 331935585 /nfs/dbraw/zinc/93/55/85/331935585.db2.gz WAILAYDUSTWSDA-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C[C@H]1CCCCN1CCc1nc(-c2ccccc2)no1 ZINC000489500623 332056947 /nfs/dbraw/zinc/05/69/47/332056947.db2.gz SOTUDXBILVLELZ-HNNXBMFYSA-N 0 3 283.375 3.320 20 30 CGEDHN C#C[C@H](CC)NC/C(C)=C/c1ccccc1COC ZINC000491125994 332153861 /nfs/dbraw/zinc/15/38/61/332153861.db2.gz JNSZDCBFFNJSTH-GWKQRERASA-N 0 3 257.377 3.238 20 30 CGEDHN C#C[C@H](NCc1cc(-n2ccnc2)cs1)C(C)(C)C ZINC000491349843 332194706 /nfs/dbraw/zinc/19/47/06/332194706.db2.gz KOQJOKYYUJNHIK-AWEZNQCLSA-N 0 3 273.405 3.071 20 30 CGEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000491662770 332271998 /nfs/dbraw/zinc/27/19/98/332271998.db2.gz RHGNFSUXIRKZCL-SNVBAGLBSA-N 0 3 299.201 3.276 20 30 CGEDHN C#C[C@@H](NCc1cnc(-c2ccccn2)s1)C(C)(C)C ZINC000491757077 332330023 /nfs/dbraw/zinc/33/00/23/332330023.db2.gz BXLGFMFMAPBBJH-CQSZACIVSA-N 0 3 285.416 3.343 20 30 CGEDHN C=CCCOCCNCc1ccc2nc(C)sc2c1 ZINC000494179089 332465676 /nfs/dbraw/zinc/46/56/76/332465676.db2.gz JXPNXALDYVFBSY-UHFFFAOYSA-N 0 3 276.405 3.287 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)COCC)cc1Cl ZINC000494214230 332466890 /nfs/dbraw/zinc/46/68/90/332466890.db2.gz ZFFVYQLVNQYGNL-LBPRGKRZSA-N 0 3 283.799 3.419 20 30 CGEDHN Cc1ccccc1CN1CCN(CCCC(C)(C)C#N)CC1 ZINC000174810350 333007742 /nfs/dbraw/zinc/00/77/42/333007742.db2.gz CZBFRHXGKCEACL-UHFFFAOYSA-N 0 3 299.462 3.443 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000185521147 333142843 /nfs/dbraw/zinc/14/28/43/333142843.db2.gz FJUJNAFFEYPXOO-JKSUJKDBSA-N 0 3 288.435 3.225 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000191131305 333215779 /nfs/dbraw/zinc/21/57/79/333215779.db2.gz ISPZTQVIVSJKHV-SJLPKXTDSA-N 0 3 288.435 3.316 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000522082952 333239329 /nfs/dbraw/zinc/23/93/29/333239329.db2.gz WLNPBICYCORLED-OAHLLOKOSA-N 0 3 292.467 3.454 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000575926860 335132105 /nfs/dbraw/zinc/13/21/05/335132105.db2.gz LHNTUQHIWIXBLD-IRXDYDNUSA-N 0 3 289.806 3.335 20 30 CGEDHN C=CCOc1cccc(CN[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000543242284 333865981 /nfs/dbraw/zinc/86/59/81/333865981.db2.gz JGOWMYDINBPQIX-ZWKOTPCHSA-N 0 3 287.403 3.299 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000076733840 334087994 /nfs/dbraw/zinc/08/79/94/334087994.db2.gz QTWVCVKDYLJHSS-GOSISDBHSA-N 0 3 286.419 3.152 20 30 CGEDHN CC/C=C\CCN(CCOC)Cc1ccc(C#N)cc1 ZINC000342250287 335178699 /nfs/dbraw/zinc/17/86/99/335178699.db2.gz PGDCGGAZWOATTI-PLNGDYQASA-N 0 3 272.392 3.363 20 30 CGEDHN CC(C)c1nc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)no1 ZINC000549401666 334192462 /nfs/dbraw/zinc/19/24/62/334192462.db2.gz SHOWQJGDWQPROC-GXTWGEPZSA-N 0 3 288.395 3.065 20 30 CGEDHN CCO[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248747089 334315745 /nfs/dbraw/zinc/31/57/45/334315745.db2.gz BFCCUCCDEFGSFK-DJIMGWMZSA-N 0 3 272.392 3.436 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000154223757 334690896 /nfs/dbraw/zinc/69/08/96/334690896.db2.gz DRAHFHYCTOXJLY-WDEREUQCSA-N 0 3 264.325 3.219 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000156482710 334743193 /nfs/dbraw/zinc/74/31/93/334743193.db2.gz PSSIHGWDGKIENO-IEBWSBKVSA-N 0 3 295.430 3.225 20 30 CGEDHN C[C@@H](O)[C@@H](NC1CCC(C)(C#N)CC1)c1ccccc1F ZINC000568034335 334786403 /nfs/dbraw/zinc/78/64/03/334786403.db2.gz PPABDLYPTPGBHG-AMNYIGESSA-N 0 3 290.382 3.310 20 30 CGEDHN Cc1cccc(C)c1OCCNCc1ccc(C#N)s1 ZINC000176952740 335342705 /nfs/dbraw/zinc/34/27/05/335342705.db2.gz BUKVBNVGJZIOSQ-UHFFFAOYSA-N 0 3 286.400 3.405 20 30 CGEDHN C=CCC[C@@H](C)NCc1nc2cc(OC)ccc2n1C ZINC000349427336 335467097 /nfs/dbraw/zinc/46/70/97/335467097.db2.gz XEIBPHHKKPLVMJ-GFCCVEGCSA-N 0 3 273.380 3.026 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)CC1(SC)CC1 ZINC000289346536 500577468 /nfs/dbraw/zinc/57/74/68/500577468.db2.gz MNPZKEKOYOJHSL-UHFFFAOYSA-N 0 3 272.417 3.442 20 30 CGEDHN COc1cc(CNC(C)(C)c2ccc(C)nc2)ccc1C#N ZINC000440615848 533868984 /nfs/dbraw/zinc/86/89/84/533868984.db2.gz QAKXHGYZMODTCI-UHFFFAOYSA-N 0 3 295.386 3.295 20 30 CGEDHN C[C@@H]1CC[C@@](CO)(N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439450782 534203289 /nfs/dbraw/zinc/20/32/89/534203289.db2.gz WYGIJUAUAYFHAW-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN C#CCOc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000188280647 518323591 /nfs/dbraw/zinc/32/35/91/518323591.db2.gz DLXSDRBZQCKHEC-IBGZPJMESA-N 0 3 299.414 3.090 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000184946226 518632193 /nfs/dbraw/zinc/63/21/93/518632193.db2.gz DRCCHIQUKOUXRE-INIZCTEOSA-N 0 3 288.435 3.179 20 30 CGEDHN COc1cc(CN2CC[C@@H](c3ccco3)C2)ccc1C#N ZINC000374242298 522392900 /nfs/dbraw/zinc/39/29/00/522392900.db2.gz VWRDTICGBTXJEQ-OAHLLOKOSA-N 0 3 282.343 3.149 20 30 CGEDHN C[C@@H](CN(C)Cc1ccc(F)c(C#N)c1)c1nccs1 ZINC000183956981 524572929 /nfs/dbraw/zinc/57/29/29/524572929.db2.gz JXCMLRBFVHUNCH-NSHDSACASA-N 0 3 289.379 3.389 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1c[nH]c2nccnc12 ZINC000356059681 526314331 /nfs/dbraw/zinc/31/43/31/526314331.db2.gz QHXDNYWRRLUUDB-UHFFFAOYSA-N 0 3 292.386 3.140 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000352701158 526326685 /nfs/dbraw/zinc/32/66/85/526326685.db2.gz FNPJHRPWCNIUAH-UHFFFAOYSA-N 0 3 286.331 3.419 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H](CC(C)C)c1cccs1 ZINC000347655937 526636868 /nfs/dbraw/zinc/63/68/68/526636868.db2.gz SVLKIWISEURXRT-QWHCGFSZSA-N 0 3 280.437 3.116 20 30 CGEDHN C#CCCOc1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000113314308 526745155 /nfs/dbraw/zinc/74/51/55/526745155.db2.gz XLFXNTUAEIIJTB-HNNXBMFYSA-N 0 3 280.371 3.335 20 30 CGEDHN C=CCOCCCN[C@H](C)c1c(F)cccc1F ZINC000348044565 526760126 /nfs/dbraw/zinc/76/01/26/526760126.db2.gz BEKNHGAGYDKTIB-LLVKDONJSA-N 0 3 255.308 3.208 20 30 CGEDHN CC(C)(CNCc1cc(C#N)cs1)c1ccccn1 ZINC000449399095 527169685 /nfs/dbraw/zinc/16/96/85/527169685.db2.gz XLTMMFMBQDLUFL-UHFFFAOYSA-N 0 3 271.389 3.082 20 30 CGEDHN C=CCCC[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352862314 527234813 /nfs/dbraw/zinc/23/48/13/527234813.db2.gz NAOZKCWGVPLJCD-UHFFFAOYSA-N 0 3 259.271 3.467 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000294819734 527367934 /nfs/dbraw/zinc/36/79/34/527367934.db2.gz QJLUSVFFSNQFGS-MRXNPFEDSA-N 0 3 291.391 3.107 20 30 CGEDHN C=CCC[C@@H](NCCC[C@@H](O)CC)c1ccco1 ZINC000353626617 527447251 /nfs/dbraw/zinc/44/72/51/527447251.db2.gz YHPYHEQXNGJLHI-UONOGXRCSA-N 0 3 251.370 3.428 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCn2ccnc2C1)c1ccco1 ZINC000353675723 527451233 /nfs/dbraw/zinc/45/12/33/527451233.db2.gz WCYQMMHEOSYTDB-UONOGXRCSA-N 0 3 271.364 3.088 20 30 CGEDHN C=CCC[C@H](NCCCO[C@H]1CCOC1)c1ccco1 ZINC000356096140 527483754 /nfs/dbraw/zinc/48/37/54/527483754.db2.gz RRZVTVILEFNESL-GJZGRUSLSA-N 0 3 279.380 3.072 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](O)CC12CCC2 ZINC000334988305 527498459 /nfs/dbraw/zinc/49/84/59/527498459.db2.gz RGAGBDGRDUGODT-INIZCTEOSA-N 0 3 298.430 3.367 20 30 CGEDHN CC[C@H]1CCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000449404646 529204890 /nfs/dbraw/zinc/20/48/90/529204890.db2.gz CZDKNHIVXUUBCH-NWDGAFQWSA-N 0 3 263.410 3.321 20 30 CGEDHN CCCCCCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000740877328 571890697 /nfs/dbraw/zinc/89/06/97/571890697.db2.gz AZRVNIDLSUITDM-VXGBXAGGSA-N 0 3 267.335 3.344 20 30 CGEDHN C=CCN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000725799458 572407312 /nfs/dbraw/zinc/40/73/12/572407312.db2.gz UZHRHSPPSUTVJP-CABCVRRESA-N 0 3 294.439 3.426 20 30 CGEDHN CN(CCc1ccccc1F)Cc1ccc(OCC#N)cc1 ZINC000731670496 572421619 /nfs/dbraw/zinc/42/16/19/572421619.db2.gz NYNYAHKZNHRLPJ-UHFFFAOYSA-N 0 3 298.361 3.403 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000739887590 572426048 /nfs/dbraw/zinc/42/60/48/572426048.db2.gz VDBYRCISKCAKDJ-UHFFFAOYSA-N 0 3 277.364 3.299 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000739887590 572426050 /nfs/dbraw/zinc/42/60/50/572426050.db2.gz VDBYRCISKCAKDJ-UHFFFAOYSA-N 0 3 277.364 3.299 20 30 CGEDHN N#CCOc1ccc(CNc2ccnc3ccccc32)cc1 ZINC000732034214 572446485 /nfs/dbraw/zinc/44/64/85/572446485.db2.gz DGBGQXDLCGGZJH-UHFFFAOYSA-N 0 3 289.338 3.171 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccccn1 ZINC000732593695 572472849 /nfs/dbraw/zinc/47/28/49/572472849.db2.gz QJVGRNGJUVFOFA-PBHICJAKSA-N 0 3 290.366 3.453 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2)CCC1N=Nc1ccccn1 ZINC000734363541 572649107 /nfs/dbraw/zinc/64/91/07/572649107.db2.gz LMSQVLSDRTXUSM-HNNXBMFYSA-N 0 3 294.402 3.392 20 30 CGEDHN CC1(C)CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743391838 572656770 /nfs/dbraw/zinc/65/67/70/572656770.db2.gz ZCXNFYQTCVUGGL-UHFFFAOYSA-N 0 3 280.375 3.111 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccsc3)nc21 ZINC000735792937 572742179 /nfs/dbraw/zinc/74/21/79/572742179.db2.gz OYMHYCOXRXEFCU-GFCCVEGCSA-N 0 3 295.367 3.352 20 30 CGEDHN C=CCCCN(C)CC(=O)NC1CCCCCCC1 ZINC000736623964 572803074 /nfs/dbraw/zinc/80/30/74/572803074.db2.gz WBLKNEJAYPQJGX-UHFFFAOYSA-N 0 3 266.429 3.114 20 30 CGEDHN C#CCN(CC)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000746458019 572872828 /nfs/dbraw/zinc/87/28/28/572872828.db2.gz ZNULTYCQWSODOB-UHFFFAOYSA-N 0 3 289.382 3.456 20 30 CGEDHN COc1ccc(CNCc2cc(C)ccc2C)cc1C#N ZINC000746741345 572894255 /nfs/dbraw/zinc/89/42/55/572894255.db2.gz MMDQRVNFQAVYQO-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccoc2C(C)C)C1 ZINC000970953129 613301046 /nfs/dbraw/zinc/30/10/46/613301046.db2.gz CNIHJLJSMKDYNY-CYBMUJFWSA-N 0 3 290.407 3.029 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885154 613332082 /nfs/dbraw/zinc/33/20/82/613332082.db2.gz CRTMELKDFWCZOB-YOEHRIQHSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621894 613333818 /nfs/dbraw/zinc/33/38/18/613333818.db2.gz HVRWSRNVGGBXAH-DOTOQJQBSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973021683 613337620 /nfs/dbraw/zinc/33/76/20/613337620.db2.gz DOFACFLXORZHIS-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977449363 613337870 /nfs/dbraw/zinc/33/78/70/613337870.db2.gz JGSCGORYCKQJGZ-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000981701774 613491994 /nfs/dbraw/zinc/49/19/94/613491994.db2.gz ONGCYVCFDFWLDR-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000972650539 613619018 /nfs/dbraw/zinc/61/90/18/613619018.db2.gz KJPMWLKXKBUFGL-CQSZACIVSA-N 0 3 290.407 3.044 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc3ccccc32)C1 ZINC000980312824 613622363 /nfs/dbraw/zinc/62/23/63/613622363.db2.gz OFWPFZHCXRAKLS-MRXNPFEDSA-N 0 3 294.398 3.172 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3ccccc23)[C@@H](C)C1 ZINC000945942700 613759313 /nfs/dbraw/zinc/75/93/13/613759313.db2.gz KIUOYXVVVZSCFI-XJKSGUPXSA-N 0 3 298.386 3.059 20 30 CGEDHN C#CC1CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000843426743 617840517 /nfs/dbraw/zinc/84/05/17/617840517.db2.gz IWAPIRYTLHVCJK-UHFFFAOYSA-N 0 3 273.424 3.100 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CC2CCOCC2)c([O-])c1 ZINC000255120283 617944796 /nfs/dbraw/zinc/94/47/96/617944796.db2.gz FOTQJQLDSBCCGF-AQTBWJFISA-N 0 3 290.407 3.084 20 30 CGEDHN N#Cc1cc(Cl)cc(CN[C@]23C[C@H]2COC32CCC2)c1 ZINC000933381442 618222720 /nfs/dbraw/zinc/22/27/20/618222720.db2.gz FBNAUAVAXQEHRX-XJKSGUPXSA-N 0 3 288.778 3.013 20 30 CGEDHN C=CCN(Cc1cn(C)nc1C1CCCC1)C(C)C ZINC000891675358 618245421 /nfs/dbraw/zinc/24/54/21/618245421.db2.gz SYUGTJDTKCBHBU-UHFFFAOYSA-N 0 3 261.413 3.474 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(Br)c1)C(C)C ZINC000309985518 618775383 /nfs/dbraw/zinc/77/53/83/618775383.db2.gz LXRXPNOBYFJTOR-ZDUSSCGKSA-N 0 3 296.208 3.205 20 30 CGEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000892489307 618808599 /nfs/dbraw/zinc/80/85/99/618808599.db2.gz HMWKSJOVXGQPJQ-OAHLLOKOSA-N 0 3 298.386 3.499 20 30 CGEDHN C#C[C@H](CC)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000229895303 618870181 /nfs/dbraw/zinc/87/01/81/618870181.db2.gz FTLFIVJCQDDMAD-GFCCVEGCSA-N 0 3 259.246 3.346 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CCC[C@H](CCO)CC2)c1 ZINC000930755124 619073986 /nfs/dbraw/zinc/07/39/86/619073986.db2.gz WXMCURCVTGZHKF-ZDUSSCGKSA-N 0 3 292.810 3.196 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1ccc(CC)s1)[C@@H]1CCCO1 ZINC000775575004 619078461 /nfs/dbraw/zinc/07/84/61/619078461.db2.gz UGMBMUGQCCPLLY-UBHSHLNASA-N 0 3 263.406 3.142 20 30 CGEDHN C=C(Br)CN[C@H]1C[C@H](OCC)C12CCCC2 ZINC000162548267 619100689 /nfs/dbraw/zinc/10/06/89/619100689.db2.gz VRZQRPKHVYSBAG-RYUDHWBXSA-N 0 3 288.229 3.222 20 30 CGEDHN COc1cccc(/C=N/C[C@@H](c2ccccc2)N(C)C)c1O ZINC000072658197 625327028 /nfs/dbraw/zinc/32/70/28/625327028.db2.gz YQDJVJXYKWDFAS-QUYZQLMHSA-N 0 3 298.386 3.123 20 30 CGEDHN C=C(Br)CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185219492 619250542 /nfs/dbraw/zinc/25/05/42/619250542.db2.gz ZQRNJLXXZKWJDF-MNOVXSKESA-N 0 3 276.218 3.077 20 30 CGEDHN CC(C)n1cc([C@H](C)N[C@@H](C)CC(C)(C)C#N)cn1 ZINC000925045470 619509039 /nfs/dbraw/zinc/50/90/39/619509039.db2.gz KYCBCYJJZDQZCE-STQMWFEESA-N 0 3 262.401 3.443 20 30 CGEDHN C[C@@H](C(=O)Nc1ccc(CCC#N)cc1)N1CCCCCC1 ZINC000928404924 619516560 /nfs/dbraw/zinc/51/65/60/619516560.db2.gz USMCPJWOQNWMHY-HNNXBMFYSA-N 0 3 299.418 3.346 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000894469594 619547252 /nfs/dbraw/zinc/54/72/52/619547252.db2.gz NHHZFRUCSQDBHH-UONOGXRCSA-N 0 3 250.386 3.150 20 30 CGEDHN C=CCC1(CNCc2nnc(C)s2)CCCC1 ZINC000894753799 619623563 /nfs/dbraw/zinc/62/35/63/619623563.db2.gz MSWTWUJAFPAZEF-UHFFFAOYSA-N 0 3 251.399 3.073 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc(CC(F)(F)F)s1 ZINC000894855049 619653463 /nfs/dbraw/zinc/65/34/63/619653463.db2.gz OJVISTGHKKAUSF-UHFFFAOYSA-N 0 3 291.342 3.277 20 30 CGEDHN CN(CCC#N)c1ccc(C=NNCC2CCCC2)cc1 ZINC000808005453 619700950 /nfs/dbraw/zinc/70/09/50/619700950.db2.gz DKQWWIHMJFCZJS-UHFFFAOYSA-N 0 3 284.407 3.150 20 30 CGEDHN C#CC1(O)CCN(Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000895380415 619815979 /nfs/dbraw/zinc/81/59/79/619815979.db2.gz QFURRSQAGIPNOG-UHFFFAOYSA-N 0 3 295.382 3.215 20 30 CGEDHN C[C@@]1(Br)C[C@@H]1CNCC1(C#N)CCCCC1 ZINC000895404103 619823996 /nfs/dbraw/zinc/82/39/96/619823996.db2.gz PVKRVJFZFXECMG-VXGBXAGGSA-N 0 3 285.229 3.224 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@](C)(CC)OC)c([O-])c1 ZINC000840708293 620093663 /nfs/dbraw/zinc/09/36/63/620093663.db2.gz WDNNDPLDNLWAFM-KMTKGMGQSA-N 0 3 292.423 3.472 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCc3ccccc3C2)n1 ZINC000897630076 620414143 /nfs/dbraw/zinc/41/41/43/620414143.db2.gz QIYSXMUHDRCMPT-AWEZNQCLSA-N 0 3 283.400 3.052 20 30 CGEDHN CC1(C)CCC[C@H](CNCc2ccc(C#N)cc2F)O1 ZINC000898048290 620464624 /nfs/dbraw/zinc/46/46/24/620464624.db2.gz IAJDAQFFEQEZJZ-CQSZACIVSA-N 0 3 276.355 3.135 20 30 CGEDHN C=CCCCN(CC)Cc1c(C)nc2sc(C)nn12 ZINC000898245606 620496704 /nfs/dbraw/zinc/49/67/04/620496704.db2.gz DDCHSIHJBKRLAD-UHFFFAOYSA-N 0 3 278.425 3.196 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)C3CCCCCC3)CCC[C@H]12 ZINC000990030861 620534923 /nfs/dbraw/zinc/53/49/23/620534923.db2.gz MIPYFEYVMMKFPE-WMZOPIPTSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000898460080 620589881 /nfs/dbraw/zinc/58/98/81/620589881.db2.gz BLRYUGYTWAWPGN-UHFFFAOYSA-N 0 3 255.745 3.108 20 30 CGEDHN C[C@H](NCCCOc1ccccc1)c1cc(C#N)ccn1 ZINC000902730474 621415447 /nfs/dbraw/zinc/41/54/47/621415447.db2.gz SBEGDRYLBRJLLF-AWEZNQCLSA-N 0 3 281.359 3.073 20 30 CGEDHN C[C@@H](NCCCOc1ccccc1F)c1cc(C#N)ccn1 ZINC000902746496 621423053 /nfs/dbraw/zinc/42/30/53/621423053.db2.gz IQTHPXHRLJYEFT-CYBMUJFWSA-N 0 3 299.349 3.212 20 30 CGEDHN C=CCC[C@H](NCc1cc(C)no1)[C@@]1(C)CCCCO1 ZINC000902794664 621450772 /nfs/dbraw/zinc/45/07/72/621450772.db2.gz XTZXLIXLLOHDPE-JKSUJKDBSA-N 0 3 278.396 3.367 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1cccc(C#N)c1 ZINC000902888616 621486047 /nfs/dbraw/zinc/48/60/47/621486047.db2.gz UPNGJOKQGRYDST-NHYWBVRUSA-N 0 3 254.337 3.083 20 30 CGEDHN C[C@@H](NC1(Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902957526 621505570 /nfs/dbraw/zinc/50/55/70/621505570.db2.gz KAISTXZKSIBXPO-CQSZACIVSA-N 0 3 277.371 3.379 20 30 CGEDHN C=CCCCCCN[C@H](C)c1cn(CCC)nn1 ZINC000903042454 621540586 /nfs/dbraw/zinc/54/05/86/621540586.db2.gz CTESAHBPDSTGIN-CYBMUJFWSA-N 0 3 250.390 3.085 20 30 CGEDHN C=CCC[C@@H](NCc1ccn(CC)n1)[C@@]1(C)CCCCO1 ZINC000903020431 621541388 /nfs/dbraw/zinc/54/13/88/621541388.db2.gz ZSYMRKPCZKIGHK-IAGOWNOFSA-N 0 3 291.439 3.287 20 30 CGEDHN CC1/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)c2ncnn21 ZINC000905079915 622032444 /nfs/dbraw/zinc/03/24/44/622032444.db2.gz HCODOSNFHLFAKK-RLIURORJSA-N 0 3 281.359 3.417 20 30 CGEDHN CC(C)COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905080871 622033255 /nfs/dbraw/zinc/03/32/55/622033255.db2.gz MSHSWEXICFUWBA-PWDRSIHYSA-N 0 3 297.358 3.154 20 30 CGEDHN CC(C)Cc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905082817 622033346 /nfs/dbraw/zinc/03/33/46/622033346.db2.gz XFRUIKPHQJVDFB-ZENNRRHLSA-N 0 3 281.359 3.318 20 30 CGEDHN CCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000905083173 622033445 /nfs/dbraw/zinc/03/34/45/622033445.db2.gz CBLVIVNNBABXDV-DGGAMASNSA-N 0 3 297.358 3.216 20 30 CGEDHN CCCCOc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905084709 622033754 /nfs/dbraw/zinc/03/37/54/622033754.db2.gz KRBCLVFTPFCRKA-LQELWAHVSA-N 0 3 297.358 3.298 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1c(C)cccc1CC ZINC000911904238 622567506 /nfs/dbraw/zinc/56/75/06/622567506.db2.gz IEUSOOQBZYRDMV-AWEZNQCLSA-N 0 3 260.381 3.180 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000912330077 622632545 /nfs/dbraw/zinc/63/25/45/622632545.db2.gz DWQQRNNKUYKTJK-INIZCTEOSA-N 0 3 290.382 3.000 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000912395222 622645183 /nfs/dbraw/zinc/64/51/83/622645183.db2.gz NAITYVWRHDQWKS-KGLIPLIRSA-N 0 3 278.421 3.095 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](C)CCCCCC)CC1 ZINC000173579135 623331939 /nfs/dbraw/zinc/33/19/39/623331939.db2.gz BAUCZLPJQXDVPT-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN N#CC1CCN(C[C@@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929414685 623337313 /nfs/dbraw/zinc/33/73/13/623337313.db2.gz FFSAFTKTTXUKTF-INIZCTEOSA-N 0 3 276.424 3.494 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000840746898 623508137 /nfs/dbraw/zinc/50/81/37/623508137.db2.gz ICPPIAPKDBBSIG-GJZGRUSLSA-N 0 3 287.407 3.025 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@H]12 ZINC000992438947 623563065 /nfs/dbraw/zinc/56/30/65/623563065.db2.gz MQVLUYWMXZJLSQ-AYBZRNKSSA-N 0 3 298.430 3.089 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(C)c3C)CCC[C@H]12 ZINC000992468734 623580619 /nfs/dbraw/zinc/58/06/19/623580619.db2.gz QQMYHERQGAWKLW-PKOBYXMFSA-N 0 3 298.430 3.216 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993151438 623877515 /nfs/dbraw/zinc/87/75/15/623877515.db2.gz GEECRSXWLSVXPC-RDJZCZTQSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993151432 623877525 /nfs/dbraw/zinc/87/75/25/623877525.db2.gz GEECRSXWLSVXPC-NVXWUHKLSA-N 0 3 290.451 3.422 20 30 CGEDHN Cc1ccccc1OCCNCc1csc(C#N)c1 ZINC000921578591 625685367 /nfs/dbraw/zinc/68/53/67/625685367.db2.gz OUVSSZAOMFRRHI-UHFFFAOYSA-N 0 3 272.373 3.097 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993619687 624055412 /nfs/dbraw/zinc/05/54/12/624055412.db2.gz BUXCYLKFMDMAHD-ZBFHGGJFSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN(CCOc1ccccc1C(C)=O)C(C)C ZINC000917071045 624234009 /nfs/dbraw/zinc/23/40/09/624234009.db2.gz NAAYVSVFJMYWSF-UHFFFAOYSA-N 0 3 261.365 3.164 20 30 CGEDHN CC(=NN[C@H](C)c1ccccc1)c1ccc(N)cc1 ZINC000920383168 624485682 /nfs/dbraw/zinc/48/56/82/624485682.db2.gz SXRSXBABWDGXGA-GFCCVEGCSA-N 0 3 253.349 3.344 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC2CCC2)c1 ZINC000175106651 624613777 /nfs/dbraw/zinc/61/37/77/624613777.db2.gz MXSNSSJGUPMJRK-OAHLLOKOSA-N 0 3 284.359 3.223 20 30 CGEDHN C[C@H](COCc1ccccc1)NCc1csc(C#N)c1 ZINC000921792746 625876865 /nfs/dbraw/zinc/87/68/65/625876865.db2.gz BVFWLOQUNLWPAD-CYBMUJFWSA-N 0 3 286.400 3.315 20 30 CGEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cn(C2CC2)cn1 ZINC000922603564 626019504 /nfs/dbraw/zinc/01/95/04/626019504.db2.gz JRFKEQVSETXEAN-UHFFFAOYSA-N 0 3 294.402 3.201 20 30 CGEDHN N#CCCCN1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839154208 626318691 /nfs/dbraw/zinc/31/86/91/626318691.db2.gz GYTUPRWMSIVLIP-INIZCTEOSA-N 0 3 294.345 3.014 20 30 CGEDHN Cc1cccc(C2(O)CCN([C@@H](C)CCC#N)CC2)c1C ZINC000839499549 626356948 /nfs/dbraw/zinc/35/69/48/626356948.db2.gz XGWKAKOYZYEUFK-HNNXBMFYSA-N 0 3 286.419 3.279 20 30 CGEDHN C#CCCCCNc1cc(NCCCCC#C)nc(C)n1 ZINC000751904184 626410380 /nfs/dbraw/zinc/41/03/80/626410380.db2.gz VIKSXXUWTQCSDA-UHFFFAOYSA-N 0 3 284.407 3.216 20 30 CGEDHN C#CCCCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756755674 626729354 /nfs/dbraw/zinc/72/93/54/626729354.db2.gz CJWZVJSRFZKHIO-YPMHNXCESA-N 0 3 261.340 3.473 20 30 CGEDHN C=C(Cl)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000839590269 626763198 /nfs/dbraw/zinc/76/31/98/626763198.db2.gz TYXJPFWAIPDOFP-BEAPCOKYSA-N 0 3 271.832 3.391 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C2CC(F)(F)C2)c([O-])c1 ZINC000760990588 627007616 /nfs/dbraw/zinc/00/76/16/627007616.db2.gz QJYONPASLZFTRI-VCHYOVAHSA-N 0 3 282.334 3.455 20 30 CGEDHN C#CCCOc1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000761226981 627026827 /nfs/dbraw/zinc/02/68/27/627026827.db2.gz UATRPURPRPQOJM-UHFFFAOYSA-N 0 3 299.414 3.091 20 30 CGEDHN C#Cc1cccc(N(CC)C(=O)[C@H](CC)N(CC)CC)c1 ZINC000764078593 627193583 /nfs/dbraw/zinc/19/35/83/627193583.db2.gz XSCDWDOUHYWLEU-KRWDZBQOSA-N 0 3 286.419 3.141 20 30 CGEDHN C#CCOc1ccc(CN2CCC(OC(C)C)CC2)cc1 ZINC000768992201 627514367 /nfs/dbraw/zinc/51/43/67/627514367.db2.gz KAGZXCCBWMJCGH-UHFFFAOYSA-N 0 3 287.403 3.088 20 30 CGEDHN CC#CCCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772712212 627816760 /nfs/dbraw/zinc/81/67/60/627816760.db2.gz VYDGFPKZSMURJM-UHFFFAOYSA-N 0 3 299.414 3.245 20 30 CGEDHN C#CC[C@@H](N[C@@H](C)c1ccncc1)c1ccccc1 ZINC000773117751 627858329 /nfs/dbraw/zinc/85/83/29/627858329.db2.gz WALIFVHBLZNROY-WMLDXEAASA-N 0 3 250.345 3.497 20 30 CGEDHN C=C(CC)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000773521771 627894042 /nfs/dbraw/zinc/89/40/42/627894042.db2.gz JBQOCTNTDSKAJJ-UHFFFAOYSA-N 0 3 287.403 3.408 20 30 CGEDHN C#C[C@@H](NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CCCO1 ZINC000773857625 627920226 /nfs/dbraw/zinc/92/02/26/627920226.db2.gz KYPYAZDFWWMHBC-CABCVRRESA-N 0 3 298.213 3.306 20 30 CGEDHN C#C[C@@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000775183534 628070489 /nfs/dbraw/zinc/07/04/89/628070489.db2.gz NURNMPLCDLLISG-OAHLLOKOSA-N 0 3 295.382 3.425 20 30 CGEDHN C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000775183534 628070491 /nfs/dbraw/zinc/07/04/91/628070491.db2.gz NURNMPLCDLLISG-OAHLLOKOSA-N 0 3 295.382 3.425 20 30 CGEDHN C#C[C@H](NCc1c(C)ccc2ccccc21)[C@H]1CCCO1 ZINC000775785573 628136390 /nfs/dbraw/zinc/13/63/90/628136390.db2.gz QBPGPQNYTQKYDL-RBUKOAKNSA-N 0 3 279.383 3.419 20 30 CGEDHN C#C[C@@H](NCCSc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775791630 628137555 /nfs/dbraw/zinc/13/75/55/628137555.db2.gz NDAGACOKFRPDKB-HUUCEWRRSA-N 0 3 295.835 3.203 20 30 CGEDHN C[C@@H](N[C@@H](CCO)c1cccs1)c1ccc(C#N)cc1 ZINC000776163018 628172940 /nfs/dbraw/zinc/17/29/40/628172940.db2.gz MFKBXHLUXFXBLH-DOMZBBRYSA-N 0 3 286.400 3.394 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C[C@H]1C ZINC000778155899 628329058 /nfs/dbraw/zinc/32/90/58/628329058.db2.gz LURBEMZOOFOSCM-NEPJUHHUSA-N 0 3 263.768 3.098 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCC1CC1 ZINC000778173672 628331277 /nfs/dbraw/zinc/33/12/77/628331277.db2.gz WAHJWBZTWGYHHT-UHFFFAOYSA-N 0 3 263.768 3.242 20 30 CGEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN[C@@H]1CCCOC1 ZINC000780257261 628472973 /nfs/dbraw/zinc/47/29/73/628472973.db2.gz HRVSHCXZGZGWHJ-NXFZTPHESA-N 0 3 299.418 3.052 20 30 CGEDHN C=CCC[C@@H](NC[C@@H](O)c1ccco1)c1ccco1 ZINC000789744297 629165473 /nfs/dbraw/zinc/16/54/73/629165473.db2.gz RKHQGVRZCWTAMO-CHWSQXEVSA-N 0 3 261.321 3.203 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCSC2)c([O-])c1 ZINC000790598490 629219643 /nfs/dbraw/zinc/21/96/43/629219643.db2.gz NKMAMDIPDNKUSU-HNEYUBDGSA-N 0 3 292.448 3.410 20 30 CGEDHN C=C[C@@H](OC(=O)C1CCN(C2CC2)CC1)C(C)(C)C ZINC000805962349 629296218 /nfs/dbraw/zinc/29/62/18/629296218.db2.gz GLZCPTCWBVPDBV-CQSZACIVSA-N 0 3 265.397 3.005 20 30 CGEDHN C#CCN(Cc1ccnc(F)c1C)C1CCCCC1 ZINC000862234876 629328546 /nfs/dbraw/zinc/32/85/46/629328546.db2.gz FBKVOJGKYMMYEH-UHFFFAOYSA-N 0 3 260.356 3.297 20 30 CGEDHN N#CC(C(=O)C=C1CCCC1)c1cnc2ccccc2n1 ZINC000792102105 629337355 /nfs/dbraw/zinc/33/73/55/629337355.db2.gz VUMHFYRPKSMMOB-CYBMUJFWSA-N 0 3 277.327 3.306 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CCOC1)c1nccc2ccccc21 ZINC000792100279 629337900 /nfs/dbraw/zinc/33/79/00/629337900.db2.gz DISLNSIUFFDPQA-CJNGLKHVSA-N 0 3 294.354 3.228 20 30 CGEDHN Cc1cc(NN=Cc2ccccc2C2CC2)ccn1 ZINC000863159728 629486009 /nfs/dbraw/zinc/48/60/09/629486009.db2.gz ZGYVHELDYWFIKS-UHFFFAOYSA-N 0 3 251.333 3.135 20 30 CGEDHN C#CC(C)(C)N(C)C[C@@H](OC(C)C)c1ccccc1 ZINC000794529094 629550658 /nfs/dbraw/zinc/55/06/58/629550658.db2.gz BBGZTEITXGXASM-MRXNPFEDSA-N 0 3 259.393 3.496 20 30 CGEDHN Cc1cccc(-c2cccc([C@@H]3CNCCO3)c2)c1C#N ZINC000863690142 629646982 /nfs/dbraw/zinc/64/69/82/629646982.db2.gz LKNZRSRUAYAHTB-SFHVURJKSA-N 0 3 278.355 3.195 20 30 CGEDHN N#Cc1cc(-c2ccc(C[C@H]3CCC[NH2+]3)cc2)ccc1[O-] ZINC000863713112 629655619 /nfs/dbraw/zinc/65/56/19/629655619.db2.gz ISBUDIDYDQODOL-QGZVFWFLSA-N 0 3 278.355 3.225 20 30 CGEDHN Cc1ccccc1CNCc1cc(C#N)ccc1N(C)C ZINC000865402927 630103114 /nfs/dbraw/zinc/10/31/14/630103114.db2.gz IXUPTSUGVBOKLJ-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN C=CCCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000120610241 630178721 /nfs/dbraw/zinc/17/87/21/630178721.db2.gz KNZCVVPMOFEFNX-UHFFFAOYSA-N 0 3 277.364 3.001 20 30 CGEDHN Cc1csc(CNCc2cc(C#N)ccc2N(C)C)c1 ZINC000865587348 630205307 /nfs/dbraw/zinc/20/53/07/630205307.db2.gz MQWATBRAVOLSPD-UHFFFAOYSA-N 0 3 285.416 3.284 20 30 CGEDHN CC(CCCOc1ccc(Cl)c(C)c1)=Nn1cnnc1 ZINC000800803243 630300181 /nfs/dbraw/zinc/30/01/81/630300181.db2.gz BQEHKWQHGUNRRX-UHFFFAOYSA-N 0 3 292.770 3.323 20 30 CGEDHN C[C@H](C#N)OCCN1CCC[C@H]1Cc1ccccc1Cl ZINC000801916019 630366032 /nfs/dbraw/zinc/36/60/32/630366032.db2.gz QEAPDWOIZZKQIO-HIFRSBDPSA-N 0 3 292.810 3.276 20 30 CGEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2CCO[C@H](C)C#N)o1 ZINC000801926010 630367708 /nfs/dbraw/zinc/36/77/08/630367708.db2.gz UATNBEADDGQLFM-YUELXQCFSA-N 0 3 276.380 3.290 20 30 CGEDHN Cc1c2ccccc2oc1[C@@H](C)NCCO[C@@H](C)C#N ZINC000801941108 630371765 /nfs/dbraw/zinc/37/17/65/630371765.db2.gz ILMWDOWOZIZGAH-WCQYABFASA-N 0 3 272.348 3.321 20 30 CGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H](C)C(C)(C)C)c1 ZINC000802638105 630400208 /nfs/dbraw/zinc/40/02/08/630400208.db2.gz LFUDFWVCNPCMSY-CQSZACIVSA-N 0 3 286.419 3.220 20 30 CGEDHN N#CC[C@@H](O)CNC1(c2ccc(Cl)cc2)CCCCC1 ZINC000809575424 630753241 /nfs/dbraw/zinc/75/32/41/630753241.db2.gz CNMKKCWCNBGNEM-OAHLLOKOSA-N 0 3 292.810 3.364 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000809621945 630764695 /nfs/dbraw/zinc/76/46/95/630764695.db2.gz BOFLDLUQFWLMFE-CQSZACIVSA-N 0 3 260.340 3.390 20 30 CGEDHN C#Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000809655910 630776021 /nfs/dbraw/zinc/77/60/21/630776021.db2.gz NEBQVPHCQBHYOM-LJQANCHMSA-N 0 3 272.351 3.317 20 30 CGEDHN C#CCN(Cc1ccccc1)Cc1cc(C)ccc1O ZINC000809718514 630791422 /nfs/dbraw/zinc/79/14/22/630791422.db2.gz UYUOHRHNZRIUFI-UHFFFAOYSA-N 0 3 265.356 3.336 20 30 CGEDHN C#C[C@H](NCc1ccc(OCC=C)c(OC)c1)C(C)(C)C ZINC000809780984 630804869 /nfs/dbraw/zinc/80/48/69/630804869.db2.gz DGXHVNXFJZTUON-KRWDZBQOSA-N 0 3 287.403 3.398 20 30 CGEDHN C#C[C@H](NCc1c[nH]nc1-c1ccc(OC)cc1)C(C)(C)C ZINC000809781422 630806473 /nfs/dbraw/zinc/80/64/73/630806473.db2.gz RAVLMMMRWUOFDU-INIZCTEOSA-N 0 3 297.402 3.223 20 30 CGEDHN C#Cc1ccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000811510574 631078244 /nfs/dbraw/zinc/07/82/44/631078244.db2.gz KHIPRXVZDBINNP-IAGOWNOFSA-N 0 3 269.388 3.057 20 30 CGEDHN COc1cccc(O)c1/C=N\C[C@@H](c1ccccc1)N(C)C ZINC000812392387 631242553 /nfs/dbraw/zinc/24/25/53/631242553.db2.gz LKHUUTNWUPYVLQ-JJBLJPBOSA-N 0 3 298.386 3.123 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000876545355 634854057 /nfs/dbraw/zinc/85/40/57/634854057.db2.gz FVQUMFRMYJLFKG-LLVKDONJSA-N 0 3 273.163 3.057 20 30 CGEDHN C#CCOc1ccccc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000814169214 631535867 /nfs/dbraw/zinc/53/58/67/631535867.db2.gz FIICBQQSHVOPJE-CVEARBPZSA-N 0 3 291.341 3.176 20 30 CGEDHN C[C@H](C#N)OCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666466 631618541 /nfs/dbraw/zinc/61/85/41/631618541.db2.gz HCTNBOSZXAUGPQ-TZMCWYRMSA-N 0 3 278.783 3.058 20 30 CGEDHN C[C@H]1C[C@@H](c2ccccc2F)N(CCOCCC#N)C1 ZINC000815054502 631707706 /nfs/dbraw/zinc/70/77/06/631707706.db2.gz LEOAYCUBCKMAON-BBRMVZONSA-N 0 3 276.355 3.139 20 30 CGEDHN N#CCCOCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000815070479 631711766 /nfs/dbraw/zinc/71/17/66/631711766.db2.gz RDZSYLLLIASUGY-GOSISDBHSA-N 0 3 298.361 3.435 20 30 CGEDHN C#CCSCCN[C@@H](C)c1ccc(Cl)cc1OC ZINC000817580816 632189531 /nfs/dbraw/zinc/18/95/31/632189531.db2.gz KYZQYTSZHRSVIG-NSHDSACASA-N 0 3 283.824 3.366 20 30 CGEDHN C=CCSCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000105462458 635833858 /nfs/dbraw/zinc/83/38/58/635833858.db2.gz UZAMGKSBDONZHT-WCQYABFASA-N 0 3 251.395 3.412 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000822469278 632938007 /nfs/dbraw/zinc/93/80/07/632938007.db2.gz UGTGPWZQCPERJE-CQSZACIVSA-N 0 3 294.464 3.241 20 30 CGEDHN N#CCOc1ccc(CN[C@H]2CCCc3ncccc32)cc1 ZINC000866294789 633068942 /nfs/dbraw/zinc/06/89/42/633068942.db2.gz MQGJFSIOBVMDAH-SFHVURJKSA-N 0 3 293.370 3.151 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000866499916 633162226 /nfs/dbraw/zinc/16/22/26/633162226.db2.gz OTIDOSRKWGSFAA-LERXQTSPSA-N 0 3 283.293 3.300 20 30 CGEDHN C=CCC[C@H](NCc1nn(C)cc1C(F)F)C1CC1 ZINC000866567219 633197164 /nfs/dbraw/zinc/19/71/64/633197164.db2.gz MXENNYABHWXAOM-LBPRGKRZSA-N 0 3 269.339 3.192 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000824363949 633236172 /nfs/dbraw/zinc/23/61/72/633236172.db2.gz NBCCWJXXPQJTCH-CQSZACIVSA-N 0 3 284.428 3.496 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCCCC2)CCCC1 ZINC000825373119 633349972 /nfs/dbraw/zinc/34/99/72/633349972.db2.gz CWRDSKCYSVZADB-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCCN(CCOC)Cc1cccc(SCC)c1 ZINC000827823190 633522242 /nfs/dbraw/zinc/52/22/42/633522242.db2.gz KFDSAIKXHGTCJB-UHFFFAOYSA-N 0 3 277.433 3.270 20 30 CGEDHN C=CCCCCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000829158588 633706015 /nfs/dbraw/zinc/70/60/15/633706015.db2.gz BPFVWQWCPIPLLP-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000871188224 633719330 /nfs/dbraw/zinc/71/93/30/633719330.db2.gz MJZXFRSMDMKADB-KRWDZBQOSA-N 0 3 286.419 3.042 20 30 CGEDHN C=C(Br)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831000881 633909371 /nfs/dbraw/zinc/90/93/71/633909371.db2.gz JHWBJOCBANGMFZ-XQHKEYJVSA-N 0 3 268.198 3.039 20 30 CGEDHN C=CC[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046715 633969731 /nfs/dbraw/zinc/96/97/31/633969731.db2.gz ZNCCZGSPXUFDCY-UWVGGRQHSA-N 0 3 252.289 3.349 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872130466 634050717 /nfs/dbraw/zinc/05/07/17/634050717.db2.gz MTASVUPPMJHBHN-JFGNBEQYSA-N 0 3 283.297 3.443 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872130467 634051373 /nfs/dbraw/zinc/05/13/73/634051373.db2.gz MTASVUPPMJHBHN-SCVCMEIPSA-N 0 3 283.297 3.443 20 30 CGEDHN Cc1noc(C)c1CCCNCc1cccc(F)c1C#N ZINC000873073645 634241441 /nfs/dbraw/zinc/24/14/41/634241441.db2.gz APXXQZSKUWVZNW-UHFFFAOYSA-N 0 3 287.338 3.025 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2ncc(Br)s2)CC1 ZINC000873198415 634283427 /nfs/dbraw/zinc/28/34/27/634283427.db2.gz JDIYESVGZFSLPL-MGCOHNPYSA-N 0 3 299.237 3.187 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(N)cc(F)c1 ZINC000873289765 634323229 /nfs/dbraw/zinc/32/32/29/634323229.db2.gz XMAJKVKIQRVWTI-SFHVURJKSA-N 0 3 295.361 3.447 20 30 CGEDHN C#CCN[C@H](CC)c1ccc(Br)cc1 ZINC000019875577 634326387 /nfs/dbraw/zinc/32/63/87/634326387.db2.gz BGYNBFSVAFTIHL-GFCCVEGCSA-N 0 3 252.155 3.123 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(C)cc1C ZINC000876589866 634863198 /nfs/dbraw/zinc/86/31/98/634863198.db2.gz PKUFMLBCYUXHTA-ZFWWWQNUSA-N 0 3 294.826 3.293 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000876687724 634880761 /nfs/dbraw/zinc/88/07/61/634880761.db2.gz LYEOEVCSPUFLLT-CQSZACIVSA-N 0 3 280.799 3.243 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000876940807 634933204 /nfs/dbraw/zinc/93/32/04/634933204.db2.gz YASUIAXCECKJTM-AWEZNQCLSA-N 0 3 280.799 3.220 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CC=CCC2)c1 ZINC000877655549 635133958 /nfs/dbraw/zinc/13/39/58/635133958.db2.gz BQWLPFKGSNOWMD-GFCCVEGCSA-N 0 3 275.783 3.443 20 30 CGEDHN C[C@H](C#N)CNN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841633518 635202447 /nfs/dbraw/zinc/20/24/47/635202447.db2.gz OSWBHCMXGRVRJM-RDTXWAMCSA-N 0 3 296.418 3.091 20 30 CGEDHN C=CC(C)(C)CC(=O)Nc1cccc(CN(C)C)c1 ZINC000878208073 635415316 /nfs/dbraw/zinc/41/53/16/635415316.db2.gz HORJQJCDRZDNCW-UHFFFAOYSA-N 0 3 260.381 3.289 20 30 CGEDHN C#CC[C@@H]1CCCN(Cn2cc(-c3ccccc3)cn2)C1 ZINC000842628383 635420656 /nfs/dbraw/zinc/42/06/56/635420656.db2.gz BNTRCCXZMLOLEF-MRXNPFEDSA-N 0 3 279.387 3.243 20 30 CGEDHN C=C(Br)CNC[C@H](C)c1ccccc1 ZINC000127071608 635473060 /nfs/dbraw/zinc/47/30/60/635473060.db2.gz GJIIGNJNKAYRKK-JTQLQIEISA-N 0 3 254.171 3.288 20 30 CGEDHN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ccc(C#N)cc1F ZINC000878407449 635492572 /nfs/dbraw/zinc/49/25/72/635492572.db2.gz SATSGWPMAJXIIY-JSGCOSHPSA-N 0 3 288.366 3.450 20 30 CGEDHN C=CC[C@@H](C)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000878463062 635518967 /nfs/dbraw/zinc/51/89/67/635518967.db2.gz VRWBMXBMHQMNEF-GFCCVEGCSA-N 0 3 281.346 3.213 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1nc(C2CC2)cs1)C(C)(F)F ZINC000842941624 635520729 /nfs/dbraw/zinc/52/07/29/635520729.db2.gz BWLZABYJFSNPBF-APPZFPTMSA-N 0 3 284.331 3.488 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cccc(OC)c2F)C1 ZINC000843424303 635668982 /nfs/dbraw/zinc/66/89/82/635668982.db2.gz YKWVHCHRJNQDKV-ZDUSSCGKSA-N 0 3 261.340 3.070 20 30 CGEDHN CN(C[C@@H]1CC(C)(C)OC1(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000879310543 635752184 /nfs/dbraw/zinc/75/21/84/635752184.db2.gz VMSOIDAKZCMEGL-HZSPNIEDSA-N 0 3 264.413 3.204 20 30 CGEDHN C[C@H](C#N)OCCN1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000844394876 635889469 /nfs/dbraw/zinc/88/94/69/635889469.db2.gz AAJNYPBGFCSHIH-CHWSQXEVSA-N 0 3 292.810 3.230 20 30 CGEDHN C[C@@]1(C(F)(F)F)CCN(CCOc2ccc(C#N)cc2)C1 ZINC000880000801 635895345 /nfs/dbraw/zinc/89/53/45/635895345.db2.gz NSGRWOKBJWLTHQ-CQSZACIVSA-N 0 3 298.308 3.211 20 30 CGEDHN C=C(C)C(C)(C)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845730568 636087934 /nfs/dbraw/zinc/08/79/34/636087934.db2.gz ONSNLKVZOXVSHM-GFCCVEGCSA-N 0 3 253.386 3.005 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H](OC(C)C)C2)cc1 ZINC000846013907 636130009 /nfs/dbraw/zinc/13/00/09/636130009.db2.gz FNKWBINHVVEQON-SFHVURJKSA-N 0 3 287.403 3.088 20 30 CGEDHN CCCC[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1[O-] ZINC000846894517 636273741 /nfs/dbraw/zinc/27/37/41/636273741.db2.gz XOWXPIXRXUXKLX-UHFFFAOYSA-N 0 3 295.386 3.461 20 30 CGEDHN CCCC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1[O-] ZINC000846894517 636273747 /nfs/dbraw/zinc/27/37/47/636273747.db2.gz XOWXPIXRXUXKLX-UHFFFAOYSA-N 0 3 295.386 3.461 20 30 CGEDHN C#C[C@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000847020296 636312466 /nfs/dbraw/zinc/31/24/66/636312466.db2.gz ARHCKLKOBCPQGN-KBPBESRZSA-N 0 3 272.348 3.309 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(=O)oc3cc(CC)ccc23)C1 ZINC000847028384 636318388 /nfs/dbraw/zinc/31/83/88/636318388.db2.gz FTNXAEQYAIGKHG-HNNXBMFYSA-N 0 3 295.382 3.201 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000847032687 636318436 /nfs/dbraw/zinc/31/84/36/636318436.db2.gz YLNBAOBSEZCVLF-LBPRGKRZSA-N 0 3 295.329 3.142 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C(C)C)no1)[C@H]1CCCO1 ZINC000883190021 636574623 /nfs/dbraw/zinc/57/46/23/636574623.db2.gz STMRVXXFKUOCFY-GDBMZVCRSA-N 0 3 278.396 3.401 20 30 CGEDHN C=CCC[C@@H](NCc1ncc(CC)s1)[C@H]1CCCO1 ZINC000883192542 636575857 /nfs/dbraw/zinc/57/58/57/636575857.db2.gz BMYWZQQLXYOSKA-ZIAGYGMSSA-N 0 3 280.437 3.309 20 30 CGEDHN C=CCC[C@H](NCc1oc(CC)nc1C)[C@@H]1CCCO1 ZINC000883223939 636597138 /nfs/dbraw/zinc/59/71/38/636597138.db2.gz AWZRBSISXFZTKJ-KBPBESRZSA-N 0 3 278.396 3.149 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000883226387 636597689 /nfs/dbraw/zinc/59/76/89/636597689.db2.gz XEMFQGTUYLMDQZ-MRXNPFEDSA-N 0 3 296.418 3.349 20 30 CGEDHN COc1ccc(C2CC2)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000883266059 636637067 /nfs/dbraw/zinc/63/70/67/636637067.db2.gz QWCIZMKUKFXETQ-WBMJQRKESA-N 0 3 270.376 3.354 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000848923281 636693954 /nfs/dbraw/zinc/69/39/54/636693954.db2.gz HYIFYGRXHAUCQF-QGZVFWFLSA-N 0 3 293.414 3.334 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000848923758 636695781 /nfs/dbraw/zinc/69/57/81/636695781.db2.gz PMPTVRYIHOHAGZ-CYBMUJFWSA-N 0 3 283.350 3.061 20 30 CGEDHN C=CCSCCNCc1cc(C)cc(OC)c1OC ZINC000885968986 637336787 /nfs/dbraw/zinc/33/67/87/637336787.db2.gz HCZFULHVJZKZQE-UHFFFAOYSA-N 0 3 281.421 3.021 20 30 CGEDHN C[C@H](COCc1ccccc1)CN(C)CC(C)(C)C#N ZINC000886217650 637462166 /nfs/dbraw/zinc/46/21/66/637462166.db2.gz FAKQTAORIVZDER-HNNXBMFYSA-N 0 3 274.408 3.321 20 30 CGEDHN C#CC[C@H]1CCN(Cc2nc(-c3ccccc3)oc2C)C1 ZINC000886353656 637509612 /nfs/dbraw/zinc/50/96/12/637509612.db2.gz MYXIDSBXXCXNIW-HNNXBMFYSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000886355717 637510467 /nfs/dbraw/zinc/51/04/67/637510467.db2.gz MPQHXXMUOSWZSM-JKSUJKDBSA-N 0 3 298.430 3.482 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000886362527 637514065 /nfs/dbraw/zinc/51/40/65/637514065.db2.gz BIBLCIRGTYJXBL-HNNXBMFYSA-N 0 3 293.370 3.114 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000886362528 637514298 /nfs/dbraw/zinc/51/42/98/637514298.db2.gz BIBLCIRGTYJXBL-OAHLLOKOSA-N 0 3 293.370 3.114 20 30 CGEDHN C=C(C)[C@H](NCCC(OC)OC)c1ccc(F)c(F)c1 ZINC000851946299 637557264 /nfs/dbraw/zinc/55/72/64/637557264.db2.gz KYQHDLIJLBGVNW-HNNXBMFYSA-N 0 3 285.334 3.181 20 30 CGEDHN C#CCCN(CCOC)C[C@H](OC(C)C)c1ccccc1 ZINC000852748518 637704506 /nfs/dbraw/zinc/70/45/06/637704506.db2.gz CBWHPLFYFAKFLW-SFHVURJKSA-N 0 3 289.419 3.124 20 30 CGEDHN N#Cc1ccc(CNCc2ccnc3ccccc23)cc1 ZINC000111763511 637965163 /nfs/dbraw/zinc/96/51/63/637965163.db2.gz KGIUHOZCNFZYKV-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN C#C[C@@](C)(CC)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000854693578 638088058 /nfs/dbraw/zinc/08/80/58/638088058.db2.gz UBHDECUWDHSJFB-IBGZPJMESA-N 0 3 298.430 3.204 20 30 CGEDHN COc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1F ZINC000924605201 638373288 /nfs/dbraw/zinc/37/32/88/638373288.db2.gz BLQIGRYQEVNMDD-NSHDSACASA-N 0 3 264.344 3.252 20 30 CGEDHN COc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000924843398 638412387 /nfs/dbraw/zinc/41/23/87/638412387.db2.gz ZXLMREQQIUWJJT-LLVKDONJSA-N 0 3 291.351 3.021 20 30 CGEDHN COc1cccc2c1OCC[C@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925402444 638499860 /nfs/dbraw/zinc/49/98/60/638499860.db2.gz GFDXBVOKSASSFI-GXTWGEPZSA-N 0 3 288.391 3.437 20 30 CGEDHN C#CCSCCN[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000925455110 638505095 /nfs/dbraw/zinc/50/50/95/638505095.db2.gz JUJHJPYZCAVXSM-SFHVURJKSA-N 0 3 296.439 3.435 20 30 CGEDHN C[C@@H]1[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO[C@H]1C ZINC000925490337 638510853 /nfs/dbraw/zinc/51/08/53/638510853.db2.gz SSNMTLOEWYROLV-HUBLWGQQSA-N 0 3 297.320 3.070 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2c(Cl)ccnc21 ZINC000925530624 638519846 /nfs/dbraw/zinc/51/98/46/638519846.db2.gz FZHUVULJZYWJGG-AWEZNQCLSA-N 0 3 280.799 3.295 20 30 CGEDHN COC1(OC)CC[C@@H]1N[C@@H](CCCC#N)c1ccccc1 ZINC000926478605 638775043 /nfs/dbraw/zinc/77/50/43/638775043.db2.gz AIUYUYQQQRKHOZ-HOTGVXAUSA-N 0 3 288.391 3.163 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2c1nccc2Cl ZINC000926531450 638781636 /nfs/dbraw/zinc/78/16/36/638781636.db2.gz NVXLUKRAWGMQGF-RDBSUJKOSA-N 0 3 278.783 3.046 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1COCc2ccccc21 ZINC000926599298 638790074 /nfs/dbraw/zinc/79/00/74/638790074.db2.gz DTZWEAFCVKFNGZ-WFASDCNBSA-N 0 3 258.365 3.176 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000926698801 638800266 /nfs/dbraw/zinc/80/02/66/638800266.db2.gz ITDREJJXBQWHDL-DFBGVHRSSA-N 0 3 258.365 3.083 20 30 CGEDHN Cc1ncc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)s1 ZINC000926784017 638811224 /nfs/dbraw/zinc/81/12/24/638811224.db2.gz CZVADIGZRQBXKR-VHSXEESVSA-N 0 3 251.399 3.431 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCCc2cccnc21 ZINC000927061139 638835833 /nfs/dbraw/zinc/83/58/33/638835833.db2.gz BTKAFXASVGOOBK-JSGCOSHPSA-N 0 3 257.381 3.377 20 30 CGEDHN COC[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930676201 639051838 /nfs/dbraw/zinc/05/18/38/639051838.db2.gz LWSDFIKUJOOLFX-ZDUSSCGKSA-N 0 3 292.810 3.460 20 30 CGEDHN C=CCN(Cc1ccccc1CF)[C@H](C)COC ZINC000930932728 639088528 /nfs/dbraw/zinc/08/85/28/639088528.db2.gz MVKMBKZYVQZIHI-CYBMUJFWSA-N 0 3 251.345 3.179 20 30 CGEDHN Cc1ncoc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607083 639468603 /nfs/dbraw/zinc/46/86/03/639468603.db2.gz NLWLSIHYIGOFPD-UHFFFAOYSA-N 0 3 281.359 3.234 20 30 CGEDHN Cc1c(Cl)cccc1N1CCN(CCCCC#N)CC1 ZINC000934731205 639668585 /nfs/dbraw/zinc/66/85/85/639668585.db2.gz PGURSVMLVWENMW-UHFFFAOYSA-N 0 3 291.826 3.464 20 30 CGEDHN C[C@H](C/N=C/c1ccccc1O)N1CCc2ccccc2C1 ZINC000075580915 640145141 /nfs/dbraw/zinc/14/51/41/640145141.db2.gz IHQXCEVINDQPSR-OOWUWCJESA-N 0 3 294.398 3.258 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCCC3)C2)cc1F ZINC000192048407 640346986 /nfs/dbraw/zinc/34/69/86/640346986.db2.gz GQGNLNVSMBHXGE-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN C#CCN(C)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000192222881 640359924 /nfs/dbraw/zinc/35/99/24/640359924.db2.gz OBGGWUWQJMVLIY-SNVBAGLBSA-N 0 3 257.255 3.211 20 30 CGEDHN C#CCOc1ccccc1CNCCSC(F)(F)F ZINC000194069232 640509844 /nfs/dbraw/zinc/50/98/44/640509844.db2.gz JJOQNJOMITVCQN-UHFFFAOYSA-N 0 3 289.322 3.041 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246630521 640687233 /nfs/dbraw/zinc/68/72/33/640687233.db2.gz YSSQKDGKWKTESV-IATRGZMQSA-N 0 3 293.370 3.186 20 30 CGEDHN C#CCOc1ccc(CNCc2cc(F)cc(OC)c2)cc1 ZINC000093970412 640786269 /nfs/dbraw/zinc/78/62/69/640786269.db2.gz YJRXKPMIBKOVTQ-UHFFFAOYSA-N 0 3 299.345 3.136 20 30 CGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016174685 640992494 /nfs/dbraw/zinc/99/24/94/640992494.db2.gz RINYRRAQSSNCIR-HNNXBMFYSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001017521691 641013792 /nfs/dbraw/zinc/01/37/92/641013792.db2.gz WDCGILXBFWSWTR-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC001017864549 641017397 /nfs/dbraw/zinc/01/73/97/641017397.db2.gz KHNGEDGJGWXRRZ-NCOADZHNSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)C1 ZINC001018024200 641019310 /nfs/dbraw/zinc/01/93/10/641019310.db2.gz PYSUNMOPQIZLBU-TWMKSMIVSA-N 0 3 290.451 3.064 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)CC1CCCC1 ZINC001155607106 805596694 /nfs/dbraw/zinc/59/66/94/805596694.db2.gz ICEASWUHAHOCJB-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN CN(C)c1ccc2nc(CCc3cccc(C#N)c3)[nH]c2c1 ZINC001250582544 805707133 /nfs/dbraw/zinc/70/71/33/805707133.db2.gz ZKXPXYDBJJYTCO-UHFFFAOYSA-N 0 3 290.370 3.286 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)CCC ZINC001157702467 805854350 /nfs/dbraw/zinc/85/43/50/805854350.db2.gz UCZQIEATUFKUSZ-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cncn1CCF ZINC001252139928 806024698 /nfs/dbraw/zinc/02/46/98/806024698.db2.gz VDRFRXOSUFYHLY-MRXNPFEDSA-N 0 3 299.434 3.054 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](c1ccncc1)c1ccccc1C ZINC001252589043 806078521 /nfs/dbraw/zinc/07/85/21/806078521.db2.gz IWYODRZQHBVGCA-PKOBYXMFSA-N 0 3 296.414 3.396 20 30 CGEDHN CCC[C@@H](O)CN(CCC#N)C1CCCCCCC1 ZINC001252783414 806112375 /nfs/dbraw/zinc/11/23/75/806112375.db2.gz FRTUHMISQVEWSL-MRXNPFEDSA-N 0 3 266.429 3.476 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCC(C)=O ZINC001252984860 806146643 /nfs/dbraw/zinc/14/66/43/806146643.db2.gz BAFLIRKLPIMANV-HNNXBMFYSA-N 0 3 257.418 3.057 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)CCCC)CC1 ZINC001160006006 806212563 /nfs/dbraw/zinc/21/25/63/806212563.db2.gz XONAQNUCHIRVHG-HNNXBMFYSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C(C)(C)C(=C)Cl)CC1 ZINC001160236730 806239992 /nfs/dbraw/zinc/23/99/92/806239992.db2.gz YTQLUPWPOGDCMH-UHFFFAOYSA-N 0 3 296.842 3.090 20 30 CGEDHN C=C[C@H](O)CNC(c1cccs1)c1cccs1 ZINC001253611869 806273669 /nfs/dbraw/zinc/27/36/69/806273669.db2.gz UTZWTCZJINDLGJ-JTQLQIEISA-N 0 3 265.403 3.036 20 30 CGEDHN Cc1ccncc1[C@H](C)NCc1cccc(OCC#N)c1 ZINC001254110737 806344907 /nfs/dbraw/zinc/34/49/07/806344907.db2.gz QCSOKIXKVQXQGN-AWEZNQCLSA-N 0 3 281.359 3.143 20 30 CGEDHN C=CCN(C(=O)[C@@H](N)C1CCCCC1)C1CCCCC1 ZINC001161247711 806359845 /nfs/dbraw/zinc/35/98/45/806359845.db2.gz HQHBSBDAAWMCRM-INIZCTEOSA-N 0 3 278.440 3.241 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001161356093 806368909 /nfs/dbraw/zinc/36/89/09/806368909.db2.gz AHFCZUYEZBPSJY-KRWDZBQOSA-N 0 3 292.467 3.383 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[C@@H]1CCC ZINC001161419445 806376317 /nfs/dbraw/zinc/37/63/17/806376317.db2.gz LUJNJCRIRJRLKD-UONOGXRCSA-N 0 3 286.847 3.051 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC001161390995 806373434 /nfs/dbraw/zinc/37/34/34/806373434.db2.gz NDSZMFZVXYQHAK-HNNXBMFYSA-N 0 3 292.467 3.383 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC[C@@H](C)CC)CC1 ZINC001161524941 806387294 /nfs/dbraw/zinc/38/72/94/806387294.db2.gz WFATUCAIYZFWHA-HNNXBMFYSA-N 0 3 278.440 3.137 20 30 CGEDHN CCCC[C@@H](CC)NC(=N)c1ccc(Cl)cn1 ZINC001257411737 807142378 /nfs/dbraw/zinc/14/23/78/807142378.db2.gz YXENMYIQJJDIDJ-LLVKDONJSA-N 0 3 253.777 3.409 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2ccccc2)CC1 ZINC001161708978 806425597 /nfs/dbraw/zinc/42/55/97/806425597.db2.gz ATMFSOAADZDBNG-INIZCTEOSA-N 0 3 298.430 3.115 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 ZINC001254641764 806468159 /nfs/dbraw/zinc/46/81/59/806468159.db2.gz ASIWJCMGOBSHKK-SCVCMEIPSA-N 0 3 250.292 3.308 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c(F)c1 ZINC001254642095 806469151 /nfs/dbraw/zinc/46/91/51/806469151.db2.gz CNOSISQGJXWILD-TUAOUCFPSA-N 0 3 262.328 3.177 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CO)c2ccc(Cl)c(Cl)c2)C1 ZINC001254653465 806475062 /nfs/dbraw/zinc/47/50/62/806475062.db2.gz NXFQHYQXNHELFA-PUYPPJJSSA-N 0 3 299.201 3.309 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001254672507 806481383 /nfs/dbraw/zinc/48/13/83/806481383.db2.gz CDRAZQLEJVALCU-DLBZAZTESA-N 0 3 296.414 3.360 20 30 CGEDHN Cc1cccc(-n2c3ccccc3nc2[C@@H](C)N)c1C#N ZINC001162764959 806661255 /nfs/dbraw/zinc/66/12/55/806661255.db2.gz CAECXBHLUOWAKG-GFCCVEGCSA-N 0 3 276.343 3.225 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)cc2)cc1C ZINC000037505899 798869183 /nfs/dbraw/zinc/86/91/83/798869183.db2.gz DSNMCSIKWFPLQA-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN C#CCOc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000077012351 798926174 /nfs/dbraw/zinc/92/61/74/798926174.db2.gz OAWDRZCNFYEIPI-UHFFFAOYSA-N 0 3 277.367 3.257 20 30 CGEDHN N#CC1CCN([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255712156 806715368 /nfs/dbraw/zinc/71/53/68/806715368.db2.gz ZHJFWRAAINNJIO-VXGBXAGGSA-N 0 3 260.303 3.343 20 30 CGEDHN SCc1ccccc1N[C@@H]1CNCc2ccsc21 ZINC001163229157 806730863 /nfs/dbraw/zinc/73/08/63/806730863.db2.gz GOQWIVDQMOXIPL-CYBMUJFWSA-N 0 3 276.430 3.434 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@@]12C[C@@H]1CCCC2 ZINC000708867973 799997450 /nfs/dbraw/zinc/99/74/50/799997450.db2.gz QRACTOYJSWZHMV-COPLHBTASA-N 0 3 261.394 3.073 20 30 CGEDHN CCN(C[C@@H](C)C#N)C[C@H]1CC(C)(C)OC1(C)C ZINC000711277230 800051566 /nfs/dbraw/zinc/05/15/66/800051566.db2.gz HCDCXACDLSIHKF-QWHCGFSZSA-N 0 3 252.402 3.062 20 30 CGEDHN C#CCCCCNCc1nc(C)c(Br)s1 ZINC000719288292 800236084 /nfs/dbraw/zinc/23/60/84/800236084.db2.gz PDPIPHHGIVUYTQ-UHFFFAOYSA-N 0 3 287.226 3.107 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000894216478 800576848 /nfs/dbraw/zinc/57/68/48/800576848.db2.gz CSPHKYDATSNOJU-SWLSCSKDSA-N 0 3 281.783 3.116 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2nccc3c2CCCC3)C1 ZINC000903181080 800594743 /nfs/dbraw/zinc/59/47/43/800594743.db2.gz DQTDMVXJIZJZPT-DZGCQCFKSA-N 0 3 269.392 3.132 20 30 CGEDHN COC(C)(C)[C@H](C)NCc1ccc(C#N)cc1OC(F)F ZINC000932370074 800658748 /nfs/dbraw/zinc/65/87/48/800658748.db2.gz PDKSLIPTEWINOS-JTQLQIEISA-N 0 3 298.333 3.063 20 30 CGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001023736815 800715780 /nfs/dbraw/zinc/71/57/80/800715780.db2.gz JPDUPRGEGFPATR-AWEZNQCLSA-N 0 3 298.386 3.061 20 30 CGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1sccc1C ZINC001024307498 800723121 /nfs/dbraw/zinc/72/31/21/800723121.db2.gz YMGLTDDBUQEYRR-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024631540 800731883 /nfs/dbraw/zinc/73/18/83/800731883.db2.gz MCLPIELZTVVEAE-QGZVFWFLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028032433 800827265 /nfs/dbraw/zinc/82/72/65/800827265.db2.gz WAEAYUUMDUQBQQ-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028279395 800837616 /nfs/dbraw/zinc/83/76/16/800837616.db2.gz ZGTZVMGKPVPMRU-ULQDDVLXSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028341150 800844343 /nfs/dbraw/zinc/84/43/43/800844343.db2.gz ZUAYXBDBJPXSNY-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028341484 800844636 /nfs/dbraw/zinc/84/46/36/800844636.db2.gz LWOBQWMFHMUILM-GPANFISMSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C)c1ccccc1 ZINC001029593869 800870881 /nfs/dbraw/zinc/87/08/81/800870881.db2.gz HVYJUMSANAPALS-FGTMMUONSA-N 0 3 298.430 3.040 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCCC1 ZINC001032513230 800929428 /nfs/dbraw/zinc/92/94/28/800929428.db2.gz YBAKOKGZIJVAMP-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cc1 ZINC001032796926 800937789 /nfs/dbraw/zinc/93/77/89/800937789.db2.gz YIHQFPNYXHKGGX-ROUUACIJSA-N 0 3 296.414 3.039 20 30 CGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033685988 800973253 /nfs/dbraw/zinc/97/32/53/800973253.db2.gz YDIHYUJRIAUJLZ-CQSZACIVSA-N 0 3 292.448 3.033 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896009 800988190 /nfs/dbraw/zinc/98/81/90/800988190.db2.gz WIKXTWOTXDTKEP-ARFHVFGLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033948706 800991496 /nfs/dbraw/zinc/99/14/96/800991496.db2.gz BSIWSNNZQLVPJK-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034043163 800994875 /nfs/dbraw/zinc/99/48/75/800994875.db2.gz XPYFZZPPYMHBMQ-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001034193850 801011302 /nfs/dbraw/zinc/01/13/02/801011302.db2.gz JAQAFIDAOQHLCU-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034300973 801017032 /nfs/dbraw/zinc/01/70/32/801017032.db2.gz DGVMHNZRPHESNF-ARFHVFGLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCCN(CC=C(C)C)C2)C1 ZINC001034386860 801023501 /nfs/dbraw/zinc/02/35/01/801023501.db2.gz GWPDZSHBBLNAEZ-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034513510 801030026 /nfs/dbraw/zinc/03/00/26/801030026.db2.gz ATKYUZGVOCQUEY-KRWDZBQOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001034549611 801033745 /nfs/dbraw/zinc/03/37/45/801033745.db2.gz LNXCIBSPIOKXHY-AWEZNQCLSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001039393625 801160724 /nfs/dbraw/zinc/16/07/24/801160724.db2.gz DGXKJIUWVUTXAU-XHSDSOJGSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@@H]21 ZINC001042334875 801204467 /nfs/dbraw/zinc/20/44/67/801204467.db2.gz HWKHOQGSZMKORK-WMZOPIPTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)sc2C)CC1 ZINC001045493994 801276213 /nfs/dbraw/zinc/27/62/13/801276213.db2.gz HLKNDYPKYOOARL-UHFFFAOYSA-N 0 3 292.448 3.135 20 30 CGEDHN CCC[C@@H](C)CC[C@H](C)N1CCN(CCC#N)CC1 ZINC001257481910 807177895 /nfs/dbraw/zinc/17/78/95/807177895.db2.gz NAMWGANPUNQDJL-CVEARBPZSA-N 0 3 265.445 3.123 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049743679 801386748 /nfs/dbraw/zinc/38/67/48/801386748.db2.gz RTQYXMPFLHMTLQ-IRXDYDNUSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)c(C)c1 ZINC001049872306 801391680 /nfs/dbraw/zinc/39/16/80/801391680.db2.gz RCXCWULJMSJACY-MSOLQXFVSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1C ZINC001049878640 801391772 /nfs/dbraw/zinc/39/17/72/801391772.db2.gz YZQDRXAUINQHND-ZWKOTPCHSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1C[C@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457615 801536261 /nfs/dbraw/zinc/53/62/61/801536261.db2.gz KHQDYGZCTNYLGL-GDBMZVCRSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C23CCC(CC2)C3)CC[C@H]1C ZINC001071612835 801543450 /nfs/dbraw/zinc/54/34/50/801543450.db2.gz NZZYVFGQUXQBSH-CTMQZQKCSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001084635393 801670995 /nfs/dbraw/zinc/67/09/95/801670995.db2.gz YJZJGMSQRGCHAZ-NUJGCVRESA-N 0 3 290.451 3.088 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085568940 801693787 /nfs/dbraw/zinc/69/37/87/801693787.db2.gz WAEOSEBPLFJGTP-GFCCVEGCSA-N 0 3 296.798 3.046 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773367 801703962 /nfs/dbraw/zinc/70/39/62/801703962.db2.gz ATIKUYDJTSUZTG-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854182 801709007 /nfs/dbraw/zinc/70/90/07/801709007.db2.gz SBISIKLNLLXCTG-GFCCVEGCSA-N 0 3 298.839 3.124 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001085991025 801717199 /nfs/dbraw/zinc/71/71/99/801717199.db2.gz CWXVPMWKAJVSDE-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1CC ZINC001087584055 801757393 /nfs/dbraw/zinc/75/73/93/801757393.db2.gz LLCWWKADUQKALJ-IXDOHACOSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1CC ZINC001087761126 801765487 /nfs/dbraw/zinc/76/54/87/801765487.db2.gz AOCQLSABJVWKRG-LSDHHAIUSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccs2)[C@H]1CC ZINC001087721814 801766080 /nfs/dbraw/zinc/76/60/80/801766080.db2.gz GRUGWHOUHJQYRN-MELADBBJSA-N 0 3 292.448 3.007 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1CC ZINC001087816972 801768668 /nfs/dbraw/zinc/76/86/68/801768668.db2.gz QYLMSKUPLXPBTN-DLBZAZTESA-N 0 3 286.419 3.018 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccco2)C1 ZINC001088250982 801777181 /nfs/dbraw/zinc/77/71/81/801777181.db2.gz FYZXUSDCLWNPET-ZDUSSCGKSA-N 0 3 296.798 3.007 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC2(C)C)C1 ZINC001088298178 801783074 /nfs/dbraw/zinc/78/30/74/801783074.db2.gz GEHUANCAWDMKGQ-ZIAGYGMSSA-N 0 3 298.858 3.146 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001089606090 801845438 /nfs/dbraw/zinc/84/54/38/801845438.db2.gz VPFAETBFGNTJAX-JKSUJKDBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C2CC(C)(C)C2)CC1 ZINC001164401959 806944155 /nfs/dbraw/zinc/94/41/55/806944155.db2.gz BTSWLMIAWHRZCM-UHFFFAOYSA-N 0 3 298.858 3.051 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001097810809 801904761 /nfs/dbraw/zinc/90/47/61/801904761.db2.gz WEHPWRBOGISNQX-OAGGEKHMSA-N 0 3 288.435 3.030 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001098911806 801920243 /nfs/dbraw/zinc/92/02/43/801920243.db2.gz WXASJNNUESMROJ-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)C(C)C ZINC001098960902 801922213 /nfs/dbraw/zinc/92/22/13/801922213.db2.gz TZZSBEVVFPGPRZ-HOTGVXAUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001099146314 801929871 /nfs/dbraw/zinc/92/98/71/801929871.db2.gz JHNBFGRLCURTEG-HKUYNNGSSA-N 0 3 298.430 3.074 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102327436 802004466 /nfs/dbraw/zinc/00/44/66/802004466.db2.gz UHYPKXZNXQXFQL-CWWJUJSXSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1C ZINC001104014269 802044220 /nfs/dbraw/zinc/04/42/20/802044220.db2.gz JHEPWPWIGAWMLF-IUODEOHRSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](CC)C(C)C)C2 ZINC001111296834 802158291 /nfs/dbraw/zinc/15/82/91/802158291.db2.gz XTNUIWZRLJXODK-VQHPVUNQSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC)c1ccccc1 ZINC001111436783 802161358 /nfs/dbraw/zinc/16/13/58/802161358.db2.gz XLHQHOOFUPOWFR-TVFCKZIOSA-N 0 3 298.430 3.088 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113246645 802208821 /nfs/dbraw/zinc/20/88/21/802208821.db2.gz QFDNGWUBFHQMHJ-SJORKVTESA-N 0 3 294.483 3.415 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001113247698 802209144 /nfs/dbraw/zinc/20/91/44/802209144.db2.gz CBFNXIXOUGSKPP-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001113230257 802209813 /nfs/dbraw/zinc/20/98/13/802209813.db2.gz ZQGSIFBBWZXMJY-GJZGRUSLSA-N 0 3 280.456 3.025 20 30 CGEDHN C=CCO[C@H]1CCN(c2ccnc3cc(OC)ccc32)C1 ZINC001116539070 802374621 /nfs/dbraw/zinc/37/46/21/802374621.db2.gz JTLUXXUSLMPGJJ-AWEZNQCLSA-N 0 3 284.359 3.025 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC001121961465 802853490 /nfs/dbraw/zinc/85/34/90/802853490.db2.gz JTIMEGWAUWMSEL-GJZGRUSLSA-N 0 3 296.361 3.216 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC1(C)CC1 ZINC001122395086 802869216 /nfs/dbraw/zinc/86/92/16/802869216.db2.gz MNGNWKRCEJWNTD-GFCCVEGCSA-N 0 3 281.359 3.330 20 30 CGEDHN N#CC(C(=O)C[C@H]1CC=CCC1)C(=O)Nc1ccccc1 ZINC001122540497 802875303 /nfs/dbraw/zinc/87/53/03/802875303.db2.gz DXFDEMVKRPRJDY-DZGCQCFKSA-N 0 3 282.343 3.080 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001123234308 802920134 /nfs/dbraw/zinc/92/01/34/802920134.db2.gz UCMVPCSJUVHUKN-HZSPNIEDSA-N 0 3 285.391 3.318 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001132248599 803387772 /nfs/dbraw/zinc/38/77/72/803387772.db2.gz HAODONQRXZBNSF-HZPDHXFCSA-N 0 3 278.440 3.278 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132413710 803402471 /nfs/dbraw/zinc/40/24/71/803402471.db2.gz GDIXTTQWNLLROW-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCCCN(C)Cc1cnc2c(C)cccn12 ZINC001136966096 803663534 /nfs/dbraw/zinc/66/35/34/803663534.db2.gz NLPAOLPZNSUTFW-UHFFFAOYSA-N 0 3 257.381 3.431 20 30 CGEDHN SC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC001137283128 803708331 /nfs/dbraw/zinc/70/83/31/803708331.db2.gz WZJUNGCYWWPPJX-UHFFFAOYSA-N 0 3 258.390 3.129 20 30 CGEDHN N#CCCc1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245424772 803733742 /nfs/dbraw/zinc/73/37/42/803733742.db2.gz NLXDGAIPVSCBOK-IBGZPJMESA-N 0 3 296.414 3.411 20 30 CGEDHN SCc1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245424660 803733908 /nfs/dbraw/zinc/73/39/08/803733908.db2.gz FKNQUTXZFPGWND-QGZVFWFLSA-N 0 3 289.444 3.385 20 30 CGEDHN COc1ccc(CN(C)CC2CCCC2)c(C#N)c1 ZINC001137704577 803761376 /nfs/dbraw/zinc/76/13/76/803761376.db2.gz LXPDNBQJJJSFMB-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CC(C)([NH3+])c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001245909077 804036792 /nfs/dbraw/zinc/03/67/92/804036792.db2.gz HIGOAUXNTLXSAY-VXLYETTFSA-N 0 3 272.323 3.495 20 30 CGEDHN N#C[C@H]1CCCN(Cc2ccc3cccnc3c2)CC1 ZINC001139167714 804148527 /nfs/dbraw/zinc/14/85/27/804148527.db2.gz DAKCUZVMYIUOCD-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN Cn1ccc2ccc(CN3CCC(C)(C#N)CC3)cc21 ZINC001139207268 804164308 /nfs/dbraw/zinc/16/43/08/804164308.db2.gz XKYBKPMLXPSWCX-UHFFFAOYSA-N 0 3 267.376 3.304 20 30 CGEDHN N#CCC1CCN(Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001139344005 804178973 /nfs/dbraw/zinc/17/89/73/804178973.db2.gz ABFXTHXDUFYPAZ-UHFFFAOYSA-N 0 3 298.434 3.198 20 30 CGEDHN CC1(C)CN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400030 804187295 /nfs/dbraw/zinc/18/72/95/804187295.db2.gz CEEGZXCNJLAFLF-UHFFFAOYSA-N 0 3 277.371 3.462 20 30 CGEDHN C=C(C)CN(CC)Cc1c2ccccc2[nH]c1C(=O)OC ZINC001139399351 804187364 /nfs/dbraw/zinc/18/73/64/804187364.db2.gz FEDUGFJUXZELDD-UHFFFAOYSA-N 0 3 286.375 3.353 20 30 CGEDHN C=CCn1cc(CN(CCC)Cc2ccccc2)cn1 ZINC001139770248 804277375 /nfs/dbraw/zinc/27/73/75/804277375.db2.gz ITVHGTWRLWKMBQ-UHFFFAOYSA-N 0 3 269.392 3.481 20 30 CGEDHN CCCCCCCN(CC)Cc1ccnc(NC)n1 ZINC001140043484 804358010 /nfs/dbraw/zinc/35/80/10/804358010.db2.gz YGBIPBUXEHNDKV-UHFFFAOYSA-N 0 3 264.417 3.311 20 30 CGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2cccc(O)c12 ZINC001140234630 804403876 /nfs/dbraw/zinc/40/38/76/804403876.db2.gz DNEFCWXLNFWGJG-DEZZGGKRSA-N 0 3 281.359 3.140 20 30 CGEDHN C=CCN(Cc1c[nH]nc1C(F)(F)F)C(C)(C)C ZINC001141018427 804570820 /nfs/dbraw/zinc/57/08/20/804570820.db2.gz WCDZEKGPHCFKHX-UHFFFAOYSA-N 0 3 261.291 3.215 20 30 CGEDHN CN(Cc1sc(N)c(C#N)c1Cl)CC1CCCC1 ZINC001141114172 804592046 /nfs/dbraw/zinc/59/20/46/804592046.db2.gz GPMOKUKPVADEMO-UHFFFAOYSA-N 0 3 283.828 3.477 20 30 CGEDHN CC(C)[C@H]1CCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141112848 804592169 /nfs/dbraw/zinc/59/21/69/804592169.db2.gz OTFRUFQJAHUDKP-SNVBAGLBSA-N 0 3 283.828 3.476 20 30 CGEDHN C[Si](C)(C)c1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001141732042 804665184 /nfs/dbraw/zinc/66/51/84/804665184.db2.gz AIZPJPZAORLMJV-HNNXBMFYSA-N 0 3 286.495 3.357 20 30 CGEDHN CSc1nc(CN2C[C@H]3CCCC[C@@H]3C2)ccc1C#N ZINC001141932110 804680882 /nfs/dbraw/zinc/68/08/82/804680882.db2.gz SVTAPECURBKQFF-ZIAGYGMSSA-N 0 3 287.432 3.297 20 30 CGEDHN C=CC[C@H](C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC001247519076 804762212 /nfs/dbraw/zinc/76/22/12/804762212.db2.gz DPKZJEXNJWPFDV-LBPRGKRZSA-N 0 3 271.364 3.478 20 30 CGEDHN C[C@H]1C[C@H]2CN(Cc3c[nH]c4cc(C#N)ccc34)CC[C@H]2O1 ZINC001142915719 804783168 /nfs/dbraw/zinc/78/31/68/804783168.db2.gz FFMYBIXUDNYMAP-XAYKYTGQSA-N 0 3 295.386 3.039 20 30 CGEDHN C=CCN(Cc1cc2c(cn1)OCCO2)C1CCCCC1 ZINC001143070012 804797945 /nfs/dbraw/zinc/79/79/45/804797945.db2.gz DJBZOVHIISSOLJ-UHFFFAOYSA-N 0 3 288.391 3.174 20 30 CGEDHN COc1cc(C)cc(CN2CCC[C@H](C#N)CC2)c1 ZINC001143156235 804811388 /nfs/dbraw/zinc/81/13/88/804811388.db2.gz HVZJVSVGFSUROT-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN CCc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1[O-] ZINC001248752271 804983930 /nfs/dbraw/zinc/98/39/30/804983930.db2.gz DYFSFBUUTCUYOZ-UHFFFAOYSA-N 0 3 280.371 3.458 20 30 CGEDHN CCc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC001248752271 804983933 /nfs/dbraw/zinc/98/39/33/804983933.db2.gz DYFSFBUUTCUYOZ-UHFFFAOYSA-N 0 3 280.371 3.458 20 30 CGEDHN CCCCCCCN(C)Cc1ccc(OC)cn1 ZINC001144423922 804986053 /nfs/dbraw/zinc/98/60/53/804986053.db2.gz QVBWISUHXPOGEW-UHFFFAOYSA-N 0 3 250.386 3.492 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC001144573989 805008710 /nfs/dbraw/zinc/00/87/10/805008710.db2.gz XEGLHOXSXBTGBA-ZDUSSCGKSA-N 0 3 253.267 3.052 20 30 CGEDHN COCCC1CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249428926 805147525 /nfs/dbraw/zinc/14/75/25/805147525.db2.gz HIIXOXPIXVKPRV-UHFFFAOYSA-N 0 3 297.402 3.288 20 30 CGEDHN CO[C@H]1CCN(Cc2cc3ccc(C#N)cc3[nH]2)[C@@H](C)C1 ZINC001249430825 805147898 /nfs/dbraw/zinc/14/78/98/805147898.db2.gz IDXBFAXFKCTMQE-LRDDRELGSA-N 0 3 283.375 3.039 20 30 CGEDHN CC(C)O[C@@H]1CCN(Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249430456 805149131 /nfs/dbraw/zinc/14/91/31/805149131.db2.gz SOKSYNKXKUHMKK-MRXNPFEDSA-N 0 3 283.375 3.039 20 30 CGEDHN N#CC1CCC(N2CCC[C@@H]2c2nccs2)CC1 ZINC001256969276 807019890 /nfs/dbraw/zinc/01/98/90/807019890.db2.gz DDAJFWRLZJDGGJ-WXRRBKDZSA-N 0 3 261.394 3.362 20 30 CGEDHN C[C@@H](CC#N)NC1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015145 807028461 /nfs/dbraw/zinc/02/84/61/807028461.db2.gz URRDNEURCBSGPU-IGEOTXOUSA-N 0 3 267.376 3.476 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166745815 807091296 /nfs/dbraw/zinc/09/12/96/807091296.db2.gz BVPTZGPFIJLCRF-ZDUSSCGKSA-N 0 3 298.858 3.217 20 30 CGEDHN CCCCOC(=O)CC[C@@H](C)N1CCC[C@H](CC#N)C1 ZINC001257399519 807136845 /nfs/dbraw/zinc/13/68/45/807136845.db2.gz DAVQOGALRROCLP-HUUCEWRRSA-N 0 3 280.412 3.124 20 30 CGEDHN CCCCOC(=O)CC[C@H](C)N1CCC(C)(C#N)CC1 ZINC001257400633 807138615 /nfs/dbraw/zinc/13/86/15/807138615.db2.gz SJUWRQBCBBJLDG-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCCCCN(CCOC)Cc1ccc(C)o1 ZINC001167881706 807267326 /nfs/dbraw/zinc/26/73/26/807267326.db2.gz PZIVZRMDYSHKTJ-UHFFFAOYSA-N 0 3 251.370 3.393 20 30 CGEDHN CCCCCCC[C@@H](C)NC1(CC(=O)OCC)COC1 ZINC001258038601 807270065 /nfs/dbraw/zinc/27/00/65/807270065.db2.gz AFHDWEFCVNYXBR-CQSZACIVSA-N 0 3 285.428 3.047 20 30 CGEDHN CCCCCCC[C@@H](C)n1cnc(CN)c1C(=O)OCC ZINC001258042762 807272225 /nfs/dbraw/zinc/27/22/25/807272225.db2.gz XXZZOIGEXTXUGR-CYBMUJFWSA-N 0 3 295.427 3.440 20 30 CGEDHN CCCCCCC[C@H](C)N1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001258045188 807273372 /nfs/dbraw/zinc/27/33/72/807273372.db2.gz YFVWPEMKWWLIDR-YLFCFFPRSA-N 0 3 283.456 3.207 20 30 CGEDHN C#CCN(Cc1cc(Cl)cc(C#N)c1)CC1CC1 ZINC001168235698 807360321 /nfs/dbraw/zinc/36/03/21/807360321.db2.gz XCUTYOYKIHVMCV-UHFFFAOYSA-N 0 3 258.752 3.057 20 30 CGEDHN CCCCCCCCC[C@H](C)N[C@@](N)(CC)CO ZINC001258230996 807379020 /nfs/dbraw/zinc/37/90/20/807379020.db2.gz FQBLVGYJHQAXEZ-GJZGRUSLSA-N 0 3 258.450 3.163 20 30 CGEDHN Cc1ccc(C(=NO)Nc2ccc(C)cc2CN(C)C)nc1 ZINC001169410885 807639279 /nfs/dbraw/zinc/63/92/79/807639279.db2.gz DYZUOJOFKOJLMK-UHFFFAOYSA-N 0 3 298.390 3.008 20 30 CGEDHN C=CCO[C@H]1CCN(CCCc2c(F)cccc2F)C1 ZINC001261544298 807756363 /nfs/dbraw/zinc/75/63/63/807756363.db2.gz NKGNVPBIJGLYSO-ZDUSSCGKSA-N 0 3 281.346 3.174 20 30 CGEDHN N#CC[C@H]1CCCN([C@@H]2CCc3c2cccc3F)C1 ZINC001261641093 807772849 /nfs/dbraw/zinc/77/28/49/807772849.db2.gz WFGSDELYFOKQMS-MLGOLLRUSA-N 0 3 258.340 3.439 20 30 CGEDHN N#Cc1coc(CN[C@@H]2CCc3cc(F)cc(F)c3C2)c1 ZINC001170680421 807873121 /nfs/dbraw/zinc/87/31/21/807873121.db2.gz IARYDWYRVDZJGV-CYBMUJFWSA-N 0 3 288.297 3.077 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC001263084815 807931796 /nfs/dbraw/zinc/93/17/96/807931796.db2.gz HBEQBHQPIPYRIZ-MRXNPFEDSA-N 0 3 288.391 3.098 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cccc(F)c3C2)CCCC1 ZINC001170947449 807941911 /nfs/dbraw/zinc/94/19/11/807941911.db2.gz WTUZCEGGXDSOTF-CQSZACIVSA-N 0 3 272.367 3.357 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CCCCCC1 ZINC001263616773 807978993 /nfs/dbraw/zinc/97/89/93/807978993.db2.gz IKBRNDDKFYXNBF-ZDUSSCGKSA-N 0 3 259.353 3.050 20 30 CGEDHN N#CCC1CN([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171116821 807990714 /nfs/dbraw/zinc/99/07/14/807990714.db2.gz SZCDQPAXRGRPHY-OAHLLOKOSA-N 0 3 260.768 3.043 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H]1COc2ccc(F)cc21 ZINC001171190060 808004577 /nfs/dbraw/zinc/00/45/77/808004577.db2.gz PGLZCSCKGUXFEM-SJCJKPOMSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CCCCC)CCC1 ZINC001263810509 808006742 /nfs/dbraw/zinc/00/67/42/808006742.db2.gz XZOBKFHUAHAHKK-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@](C)(F)CCCC ZINC001263801726 808006766 /nfs/dbraw/zinc/00/67/66/808006766.db2.gz BSGLRHAJBSEARU-WBVHZDCISA-N 0 3 298.446 3.404 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCCC[C@H](F)C1 ZINC001171203724 808009339 /nfs/dbraw/zinc/00/93/39/808009339.db2.gz PGYAFILBEHMSNY-CJNGLKHVSA-N 0 3 260.356 3.313 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171300031 808022761 /nfs/dbraw/zinc/02/27/61/808022761.db2.gz VLBICLQHIOYCHK-NEPJUHHUSA-N 0 3 292.810 3.488 20 30 CGEDHN CC(C)C[C@H](C#N)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171735462 808127777 /nfs/dbraw/zinc/12/77/77/808127777.db2.gz WIZSDFSROAULPI-KBAYOESNSA-N 0 3 285.435 3.177 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(C)C)cc1 ZINC001171875556 808150304 /nfs/dbraw/zinc/15/03/04/808150304.db2.gz QCVKLYZVOKXPKH-UHFFFAOYSA-N 0 3 294.826 3.272 20 30 CGEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](CCC)CC1CCCC1 ZINC001265832358 808186854 /nfs/dbraw/zinc/18/68/54/808186854.db2.gz HRRNRGXKOPAJBH-WBVHZDCISA-N 0 3 292.467 3.101 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](C)c1cscn1 ZINC001172294069 808217151 /nfs/dbraw/zinc/21/71/51/808217151.db2.gz FLZVBWAIKVUVEV-RYUDHWBXSA-N 0 3 271.389 3.297 20 30 CGEDHN Cc1ccc(F)c(CN[C@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172300842 808220848 /nfs/dbraw/zinc/22/08/48/808220848.db2.gz IAFMNCLCBGLDPE-CYBMUJFWSA-N 0 3 283.350 3.122 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCCC1(C)C ZINC001266170188 808222417 /nfs/dbraw/zinc/22/24/17/808222417.db2.gz OGQNLJCKJUGZIF-OLZOCXBDSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1occc1-c1ccccc1 ZINC001266295826 808237541 /nfs/dbraw/zinc/23/75/41/808237541.db2.gz ZTZAEDKBUMGQJW-UHFFFAOYSA-N 0 3 298.386 3.184 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001266320377 808242126 /nfs/dbraw/zinc/24/21/26/808242126.db2.gz JBSXHPCEHUBZDI-ZDUSSCGKSA-N 0 3 294.826 3.068 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001266491670 808275278 /nfs/dbraw/zinc/27/52/78/808275278.db2.gz XGRIAWXWLQNANU-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001266569573 808288247 /nfs/dbraw/zinc/28/82/47/808288247.db2.gz CDUQAVUCEAIMHE-YJBOKZPZSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCC(C)=C(C)C1)C1CC1 ZINC001266594774 808293890 /nfs/dbraw/zinc/29/38/90/808293890.db2.gz RMTZGKZJAITEDZ-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN COc1ccc(F)c(CN[C@@H](C)CCCC#N)c1F ZINC001172483326 808345322 /nfs/dbraw/zinc/34/53/22/808345322.db2.gz PKSWEJZNJZFGSB-JTQLQIEISA-N 0 3 268.307 3.145 20 30 CGEDHN C[C@H](CCCC#N)N[C@H](CO)c1ccccc1Cl ZINC001172487751 808348561 /nfs/dbraw/zinc/34/85/61/808348561.db2.gz NCTZADIKSPXLFN-BXUZGUMPSA-N 0 3 266.772 3.045 20 30 CGEDHN C=CCCC(=O)NCCN(CC)[C@H](C)c1ccc(F)cc1 ZINC001267238360 808391730 /nfs/dbraw/zinc/39/17/30/808391730.db2.gz LRKLZDWFCBXTBB-CQSZACIVSA-N 0 3 292.398 3.291 20 30 CGEDHN CCN(CCC#N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912908 808477638 /nfs/dbraw/zinc/47/76/38/808477638.db2.gz CWOMBSYUKNYEJC-OAHLLOKOSA-N 0 3 287.363 3.078 20 30 CGEDHN C=CCOC1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173326535 808612401 /nfs/dbraw/zinc/61/24/01/808612401.db2.gz JNHAPMRWVJNWIE-UHFFFAOYSA-N 0 3 287.403 3.264 20 30 CGEDHN C=CCOC1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173326535 808612404 /nfs/dbraw/zinc/61/24/04/808612404.db2.gz JNHAPMRWVJNWIE-UHFFFAOYSA-N 0 3 287.403 3.264 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)C ZINC001268922894 808636010 /nfs/dbraw/zinc/63/60/10/808636010.db2.gz XQKADGMXQNGYSI-HOTGVXAUSA-N 0 3 280.456 3.288 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)CC/C=C\c1ccccc1 ZINC001269293083 808666449 /nfs/dbraw/zinc/66/64/49/808666449.db2.gz UYTLTFIYHDCRKN-RLGIIYIFSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCC2CCCCC2)C1 ZINC001269355814 808673245 /nfs/dbraw/zinc/67/32/45/808673245.db2.gz KMLGJJKSLKUFJG-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(C(C)C)c1 ZINC001272146787 808799324 /nfs/dbraw/zinc/79/93/24/808799324.db2.gz ZUUHXJFQMGIDJO-UHFFFAOYSA-N 0 3 288.435 3.390 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001272535026 808815709 /nfs/dbraw/zinc/81/57/09/808815709.db2.gz UONKCVYZETWYSO-AWEZNQCLSA-N 0 3 298.858 3.147 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(CC)CC)cc1 ZINC001272684072 808820150 /nfs/dbraw/zinc/82/01/50/808820150.db2.gz TWDYEHZVEZJHMA-CQSZACIVSA-N 0 3 286.419 3.023 20 30 CGEDHN C=CCN1CC[C@]2(CCCN2Cc2cc(C)cc(C)c2)C1=O ZINC001273005720 808830847 /nfs/dbraw/zinc/83/08/47/808830847.db2.gz LYYCNYMURHRBRY-LJQANCHMSA-N 0 3 298.430 3.056 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001273591488 808856900 /nfs/dbraw/zinc/85/69/00/808856900.db2.gz SYNXUSUWKVAUNZ-UHFFFAOYSA-N 0 3 294.483 3.252 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)CCCCC(C)(C)C)C[C@@H]1C ZINC001274623887 808880095 /nfs/dbraw/zinc/88/00/95/808880095.db2.gz NTAINPUYGXYKGB-HOTGVXAUSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](CC)CCCC ZINC001275086543 808906895 /nfs/dbraw/zinc/90/68/95/808906895.db2.gz DCDRYRIYPIRARA-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2sccc2s1 ZINC001275865922 808971916 /nfs/dbraw/zinc/97/19/16/808971916.db2.gz QASPLPZDNMDHQN-JTQLQIEISA-N 0 3 294.445 3.199 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001276608946 809020414 /nfs/dbraw/zinc/02/04/14/809020414.db2.gz TXXGZPIBIGCRFA-MAUKXSAKSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](NC(=O)CC)c1ccccc1 ZINC001277542600 809079745 /nfs/dbraw/zinc/07/97/45/809079745.db2.gz WDHWUPRIZDYUCE-OAHLLOKOSA-N 0 3 294.826 3.376 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)C(CC)CC)CCC[C@@H]12 ZINC001278450488 809135080 /nfs/dbraw/zinc/13/50/80/809135080.db2.gz DDPNBZNZCLZIOE-QGPMSJSTSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001278642247 809148195 /nfs/dbraw/zinc/14/81/95/809148195.db2.gz XLHXUISZIWYIAL-SFHVURJKSA-N 0 3 292.467 3.361 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001278673378 809150782 /nfs/dbraw/zinc/15/07/82/809150782.db2.gz RUGANHPEKBVNLZ-QGZVFWFLSA-N 0 3 292.467 3.361 20 30 CGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@](C)(CC)CCC)CC1 ZINC001279164563 809166859 /nfs/dbraw/zinc/16/68/59/809166859.db2.gz RMDBOWKPIIEHSP-MAUKXSAKSA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)C(CC)(CC)CC)CC1 ZINC001280761177 809197967 /nfs/dbraw/zinc/19/79/67/809197967.db2.gz VOMJVVHVWJHYSA-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCC(=O)NC[C@H](C)N(C)Cc1ccc(CC)cc1 ZINC001282365346 809245219 /nfs/dbraw/zinc/24/52/19/809245219.db2.gz VTGZDQVKFWCOCC-HNNXBMFYSA-N 0 3 288.435 3.152 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCCC)C[C@H]2C1 ZINC001282938038 809266527 /nfs/dbraw/zinc/26/65/27/809266527.db2.gz JBSHEJRWKGTECJ-SOUVJXGZSA-N 0 3 298.858 3.146 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001283310360 809275186 /nfs/dbraw/zinc/27/51/86/809275186.db2.gz KUESDYMKIHBHHQ-TWGQIWQCSA-N 0 3 298.858 3.264 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NC/C=C\Cl)C(C)(C)C1 ZINC001284291318 809303262 /nfs/dbraw/zinc/30/32/62/809303262.db2.gz BVUZKRYKGUBHKZ-WSROAFLRSA-N 0 3 298.858 3.168 20 30 CGEDHN C=CCCC[C@@H](C(=O)N(C)CCN(C)C)c1ccccc1 ZINC001294236943 809464993 /nfs/dbraw/zinc/46/49/93/809464993.db2.gz XOHSXXRJNNSYPC-QGZVFWFLSA-N 0 3 288.435 3.147 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(Cl)c(C)c1 ZINC001297372809 809516604 /nfs/dbraw/zinc/51/66/04/809516604.db2.gz GADAROJOEBYDRU-UHFFFAOYSA-N 0 3 294.826 3.228 20 30 CGEDHN C=CCNCc1cn(-c2ccc(Cl)cc2)nc1C ZINC001177148693 809783531 /nfs/dbraw/zinc/78/35/31/809783531.db2.gz KQFPUGBDTSFQGM-UHFFFAOYSA-N 0 3 261.756 3.110 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OC)c(C(C)(C)C)c1 ZINC001181575078 810059667 /nfs/dbraw/zinc/05/96/67/810059667.db2.gz FECLCRTZLOYJFJ-AWEZNQCLSA-N 0 3 259.393 3.494 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H](CC#C)C1 ZINC001183065196 810136338 /nfs/dbraw/zinc/13/63/38/810136338.db2.gz IBRUSVOYHBGEPT-AWEZNQCLSA-N 0 3 287.790 3.197 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189230340 810550304 /nfs/dbraw/zinc/55/03/04/810550304.db2.gz MUTRFANYTIBYJZ-OWCLPIDISA-N 0 3 292.467 3.168 20 30 CGEDHN CCCCCCCCNC(=O)NCCN1CCCCC1 ZINC001191046852 810666190 /nfs/dbraw/zinc/66/61/90/810666190.db2.gz LOCGGGIPLPTMSD-UHFFFAOYSA-N 0 3 283.460 3.132 20 30 CGEDHN CCCCCCCNC(=O)N(C(C)C)C1CCN(C)CC1 ZINC001191100881 810675227 /nfs/dbraw/zinc/67/52/27/810675227.db2.gz FTTDSHLMAIXJIL-UHFFFAOYSA-N 0 3 297.487 3.471 20 30 CGEDHN C[C@@H](Cc1ccsc1)N(C)Cc1cncc(C#N)c1 ZINC001191408317 810711778 /nfs/dbraw/zinc/71/17/78/810711778.db2.gz NVRHIAOEOSJNFX-LBPRGKRZSA-N 0 3 271.389 3.078 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001192471480 810801596 /nfs/dbraw/zinc/80/15/96/810801596.db2.gz DEPCFZKIUOSRFI-SJORKVTESA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001192577926 810807064 /nfs/dbraw/zinc/80/70/64/810807064.db2.gz JVIXQRJVFMUUPJ-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN N#Cc1cccc([C@@H](O)CNC2(c3cccc(F)c3)CC2)c1 ZINC001192690480 810816414 /nfs/dbraw/zinc/81/64/14/810816414.db2.gz TTWGUWDKAZIZAI-KRWDZBQOSA-N 0 3 296.345 3.010 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC001192944454 810832918 /nfs/dbraw/zinc/83/29/18/810832918.db2.gz TUDMICWNJHJIAW-GJZGRUSLSA-N 0 3 283.460 3.129 20 30 CGEDHN CCCCCCCOC(=O)N1CCC2SC(=O)C=C2C1 ZINC001193995086 810997170 /nfs/dbraw/zinc/99/71/70/810997170.db2.gz HAPFNUCQRDEZSH-ZDUSSCGKSA-N 0 3 297.420 3.368 20 30 CGEDHN C=CCCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001195226119 811229474 /nfs/dbraw/zinc/22/94/74/811229474.db2.gz MZVQKAJLQVWHMJ-SFHVURJKSA-N 0 3 298.430 3.174 20 30 CGEDHN CCCCCCCN1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196774627 811364640 /nfs/dbraw/zinc/36/46/40/811364640.db2.gz IDKQGIUGAJFNHO-OAHLLOKOSA-N 0 3 286.435 3.239 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001197101816 811398864 /nfs/dbraw/zinc/39/88/64/811398864.db2.gz LMRNSHBPCZZVNO-UHFFFAOYSA-N 0 3 296.430 3.017 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2ccc(F)s2)CC1 ZINC001198358836 811494840 /nfs/dbraw/zinc/49/48/40/811494840.db2.gz ZIJJMOTZCOXABZ-UHFFFAOYSA-N 0 3 296.411 3.001 20 30 CGEDHN CCCCCCCCCNC(=S)N(C)CCN(C)C ZINC001200369306 811681960 /nfs/dbraw/zinc/68/19/60/811681960.db2.gz RLSWLZPLSREYHQ-UHFFFAOYSA-N 0 3 287.517 3.105 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCCCC)C12CCC2 ZINC001202459347 812099996 /nfs/dbraw/zinc/09/99/96/812099996.db2.gz OIXUVYAUPBUEHG-ZIAGYGMSSA-N 0 3 298.858 3.336 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C=C(\C)CC)C12CCC2 ZINC001202845851 812187214 /nfs/dbraw/zinc/18/72/14/812187214.db2.gz FMFUBJKGOFQEFD-DVFZLIDBSA-N 0 3 296.842 3.112 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)CC)C12CCC2 ZINC001203330984 812313856 /nfs/dbraw/zinc/31/38/56/812313856.db2.gz BDCDIYZGMVMMCZ-STQMWFEESA-N 0 3 298.858 3.192 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3ccc[nH]3)CC2)cc1 ZINC001204011621 812517988 /nfs/dbraw/zinc/51/79/88/812517988.db2.gz XGXLHJKLBIDRDF-UHFFFAOYSA-N 0 3 265.360 3.266 20 30 CGEDHN O=C1C=C2CN(Cc3sccc3Cl)CCC2S1 ZINC001205320000 812952043 /nfs/dbraw/zinc/95/20/43/812952043.db2.gz SQIFAUJVTAKKSR-SNVBAGLBSA-N 0 3 285.821 3.176 20 30 CGEDHN C#C[C@@H](CC)NCc1cc2ccccc2c(OC)c1 ZINC001205713958 813059474 /nfs/dbraw/zinc/05/94/74/813059474.db2.gz NLXHMWUPSMGBMD-HNNXBMFYSA-N 0 3 253.345 3.350 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(Cl)ccnc1Cl ZINC001206357328 813302159 /nfs/dbraw/zinc/30/21/59/813302159.db2.gz HEKYRCQSAZFDNA-CABZTGNLSA-N 0 3 287.190 3.069 20 30 CGEDHN N#CCC1CN(C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207178517 813507090 /nfs/dbraw/zinc/50/70/90/813507090.db2.gz VNDNYUGUHUMCTC-DZGCQCFKSA-N 0 3 260.768 3.289 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCCN(C(=O)OC)CC2)CC1 ZINC001208171766 813725813 /nfs/dbraw/zinc/72/58/13/813725813.db2.gz YUYLEOUNQXISDS-MRXNPFEDSA-N 0 3 292.423 3.063 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCc3nccn3CC2)CC1 ZINC001208178826 813728662 /nfs/dbraw/zinc/72/86/62/813728662.db2.gz XQPWXTFTJGOTJT-MRXNPFEDSA-N 0 3 271.408 3.044 20 30 CGEDHN CC(C)Oc1ncccc1CCN1CCC[C@@H](CC#N)C1 ZINC001208799177 813851263 /nfs/dbraw/zinc/85/12/63/813851263.db2.gz SZZYNPWPIGRVJP-HNNXBMFYSA-N 0 3 287.407 3.037 20 30 CGEDHN CN1CC=C(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001208844237 813863623 /nfs/dbraw/zinc/86/36/23/813863623.db2.gz PBXPIBAXSHLTNA-UHFFFAOYSA-N 0 3 281.281 3.208 20 30 CGEDHN CN(CCc1ccc(C#N)cc1)Cc1ccccc1F ZINC001208926380 813901917 /nfs/dbraw/zinc/90/19/17/813901917.db2.gz QOFRCPUUFJVGKL-UHFFFAOYSA-N 0 3 268.335 3.372 20 30 CGEDHN C=CCCCN1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001209157864 813950136 /nfs/dbraw/zinc/95/01/36/813950136.db2.gz IXKONZIWXAEZFG-RCCFBDPRSA-N 0 3 293.451 3.391 20 30 CGEDHN C=CCCCCN1CCN(Cc2ccc(F)cc2)CC1 ZINC001209202116 813965008 /nfs/dbraw/zinc/96/50/08/813965008.db2.gz ZXBGLBKBXYKPKS-UHFFFAOYSA-N 0 3 276.399 3.300 20 30 CGEDHN C=CCCCCN1CCN(c2nc3ccccc3o2)CC1 ZINC001209202531 813966898 /nfs/dbraw/zinc/96/68/98/813966898.db2.gz KJGKOLYOQLJZMX-UHFFFAOYSA-N 0 3 285.391 3.306 20 30 CGEDHN C=CCCCCCN1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001209422940 814025531 /nfs/dbraw/zinc/02/55/31/814025531.db2.gz LEXHMFBECOSJDQ-INIZCTEOSA-N 0 3 291.439 3.195 20 30 CGEDHN C[C@@H]1C[C@@H]1CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209429436 814029811 /nfs/dbraw/zinc/02/98/11/814029811.db2.gz XBIFSJCZVDRNKU-ZIAGYGMSSA-N 0 3 272.367 3.339 20 30 CGEDHN C=CCCCCCCN1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001209438513 814038470 /nfs/dbraw/zinc/03/84/70/814038470.db2.gz MTDPQOQAVKCQAI-ILXRZTDVSA-N 0 3 265.397 3.149 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001210226242 814355186 /nfs/dbraw/zinc/35/51/86/814355186.db2.gz NQMCBYIHOYRWHC-BZUAXINKSA-N 0 3 294.483 3.461 20 30 CGEDHN Cc1cc(Nc2ccc(O)c(C#N)c2)c2ccccc2n1 ZINC001210528099 814509544 /nfs/dbraw/zinc/50/95/44/814509544.db2.gz UJUGWOOGOHVVIP-UHFFFAOYSA-N 0 3 275.311 3.286 20 30 CGEDHN C=C1CC(C)(c2nc(-c3ccc(CN(C)C)cc3)no2)C1 ZINC001211435001 814891470 /nfs/dbraw/zinc/89/14/70/814891470.db2.gz RGZFLXMSSHRXHN-UHFFFAOYSA-N 0 3 283.375 3.406 20 30 CGEDHN N#C[C@H]1CNC[C@@H]1OCc1ccc(Oc2ccccc2)cc1 ZINC001217832391 815972331 /nfs/dbraw/zinc/97/23/31/815972331.db2.gz OFQJICKAWGTMDD-YJBOKZPZSA-N 0 3 294.354 3.107 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221760914 816326403 /nfs/dbraw/zinc/32/64/03/816326403.db2.gz UKRCEESAIGAGSK-BRWVUGGUSA-N 0 3 290.451 3.088 20 30 CGEDHN N#Cc1ccc(O[C@H]2CN3CCC2CC3)c(C(F)(F)F)c1 ZINC001227162303 817577249 /nfs/dbraw/zinc/57/72/49/817577249.db2.gz KMFINIKIXQHJQB-AWEZNQCLSA-N 0 3 296.292 3.050 20 30 CGEDHN C=CCOc1cccc(CN2CCN(CCCC)CC2)c1 ZINC001231623359 818138348 /nfs/dbraw/zinc/13/83/48/818138348.db2.gz DDNQCOSSXUUYAI-UHFFFAOYSA-N 0 3 288.435 3.169 20 30 CGEDHN C#Cc1cccc(CN(C)Cc2cccc(F)c2)c1 ZINC001231658430 818150338 /nfs/dbraw/zinc/15/03/38/818150338.db2.gz WJIFDCGCPAJULQ-UHFFFAOYSA-N 0 3 253.320 3.439 20 30 CGEDHN N#Cc1ccnc(CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC001232480919 818364246 /nfs/dbraw/zinc/36/42/46/818364246.db2.gz NSBHHWCKZAIRPU-QGZVFWFLSA-N 0 3 277.371 3.018 20 30 CGEDHN Cc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c(C#N)c1 ZINC001232963627 818484356 /nfs/dbraw/zinc/48/43/56/818484356.db2.gz KNNGJYQKPXQNPP-LSDHHAIUSA-N 0 3 254.377 3.489 20 30 CGEDHN CN1CCC[C@@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233658062 818672558 /nfs/dbraw/zinc/67/25/58/818672558.db2.gz HNMYFCFVMPZOBI-GFCCVEGCSA-N 0 3 284.281 3.050 20 30 CGEDHN CCN1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233732351 818693473 /nfs/dbraw/zinc/69/34/73/818693473.db2.gz LTWGCEGLUYYZTQ-CYBMUJFWSA-N 0 3 298.308 3.440 20 30 CGEDHN CN1CCC[C@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233733240 818693545 /nfs/dbraw/zinc/69/35/45/818693545.db2.gz ZMQFKSTXTCUCCU-LBPRGKRZSA-N 0 3 284.281 3.050 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc(N3CCCC3)c2)CC1 ZINC001235096924 819001244 /nfs/dbraw/zinc/00/12/44/819001244.db2.gz MZOPSDYFBUVUSC-UHFFFAOYSA-N 0 3 283.419 3.412 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4occc43)CCC2S1 ZINC001236738462 819588847 /nfs/dbraw/zinc/58/88/47/819588847.db2.gz VJRXXDRANMWRDN-OAHLLOKOSA-N 0 3 285.368 3.207 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4occc43)CC[C@H]2S1 ZINC001236738462 819588849 /nfs/dbraw/zinc/58/88/49/819588849.db2.gz VJRXXDRANMWRDN-OAHLLOKOSA-N 0 3 285.368 3.207 20 30 CGEDHN N#CC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236840880 819618288 /nfs/dbraw/zinc/61/82/88/819618288.db2.gz RYKNLOPXWUKWOT-UHFFFAOYSA-N 0 3 266.344 3.281 20 30 CGEDHN COc1ccc(C)c(CN2CCC[C@H](CC#N)C2)c1 ZINC001237712988 819818273 /nfs/dbraw/zinc/81/82/73/819818273.db2.gz HWUARFVINMXEBM-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@@]1(C)O ZINC001238079585 819927584 /nfs/dbraw/zinc/92/75/84/819927584.db2.gz DMYFNVKNNQRVCU-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN N#CCOc1ccc(-c2cc(N3CCCC3)ccn2)cc1 ZINC001243590866 823458767 /nfs/dbraw/zinc/45/87/67/823458767.db2.gz MANCTSPZFQACPX-UHFFFAOYSA-N 0 3 279.343 3.251 20 30 CGEDHN COc1ccc(-c2ccc(C#N)c(F)c2)cc1CN(C)C ZINC001240157759 820864612 /nfs/dbraw/zinc/86/46/12/820864612.db2.gz XVPZDBOHUUAAEC-UHFFFAOYSA-N 0 3 284.334 3.435 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC001339996771 936394757 /nfs/dbraw/zinc/39/47/57/936394757.db2.gz UTFSVGQDVLWHAT-ROUUACIJSA-N 0 3 298.430 3.349 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cnccc1OC ZINC001340199007 936399973 /nfs/dbraw/zinc/39/99/73/936399973.db2.gz DLBJMKRMDQJOGA-CYBMUJFWSA-N 0 3 293.411 3.107 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCc2sccc2[C@H]1CC ZINC001341464460 936438883 /nfs/dbraw/zinc/43/88/83/936438883.db2.gz ABXWYKMLLDUIDI-ZIAGYGMSSA-N 0 3 292.448 3.268 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCC1CCCCCC1 ZINC001342270103 936464211 /nfs/dbraw/zinc/46/42/11/936464211.db2.gz XIROSNXDBGXZJP-AWEZNQCLSA-N 0 3 273.380 3.347 20 30 CGEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1cccc(F)n1 ZINC001342559115 936470061 /nfs/dbraw/zinc/47/00/61/936470061.db2.gz SJZOTSXBNOZIIO-WSROAFLRSA-N 0 3 284.265 3.249 20 30 CGEDHN C[C@H](COc1ccccc1F)NCc1csc(C#N)c1 ZINC001342780478 936479130 /nfs/dbraw/zinc/47/91/30/936479130.db2.gz WYOSHAZVKOAKKW-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1nccn1Cc1ccccc1 ZINC001343705221 936511031 /nfs/dbraw/zinc/51/10/31/936511031.db2.gz ODPCZNZHAIBXAM-LSDHHAIUSA-N 0 3 299.349 3.102 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001343719330 936511289 /nfs/dbraw/zinc/51/12/89/936511289.db2.gz ZDILNFOJICASTC-OWCLPIDISA-N 0 3 293.370 3.180 20 30 CGEDHN CC1(C(=O)C(C#N)c2ncc(F)cc2F)CCCC1 ZINC001344983689 936796081 /nfs/dbraw/zinc/79/60/81/936796081.db2.gz LMPDEUJCQRYBNB-JTQLQIEISA-N 0 3 264.275 3.116 20 30 CGEDHN CC(C)C(C)(C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001345621669 936817703 /nfs/dbraw/zinc/81/77/03/936817703.db2.gz MJZSRZFIYKKUOB-JTQLQIEISA-N 0 3 266.291 3.218 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@@H](N)C2CCCCC2)c1 ZINC001346044951 936835403 /nfs/dbraw/zinc/83/54/03/936835403.db2.gz PNZWSOGTLJHHBX-INIZCTEOSA-N 0 3 288.391 3.098 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)CC(C)C ZINC001346097138 936837724 /nfs/dbraw/zinc/83/77/24/936837724.db2.gz YONPAIDBDNQWOJ-QWHCGFSZSA-N 0 3 261.369 3.152 20 30 CGEDHN C=C[C@H](COC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC001346938254 936865463 /nfs/dbraw/zinc/86/54/63/936865463.db2.gz MQFJDLQYKAWXAJ-CMPLNLGQSA-N 0 3 269.772 3.206 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001346994121 936867060 /nfs/dbraw/zinc/86/70/60/936867060.db2.gz XCQHAQAHDGBICB-WMLDXEAASA-N 0 3 274.408 3.150 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cc(C)c(C)s1 ZINC001347338780 936880200 /nfs/dbraw/zinc/88/02/00/936880200.db2.gz VLNIDWDEUZLMJU-LLVKDONJSA-N 0 3 273.361 3.071 20 30 CGEDHN C=C(CC)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001348772067 936933415 /nfs/dbraw/zinc/93/34/15/936933415.db2.gz IXTMINYCJHFAKN-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](F)C(C)C)c1ccccc1 ZINC001481369930 926968962 /nfs/dbraw/zinc/96/89/62/926968962.db2.gz UESZKAURCJVANI-HZPDHXFCSA-N 0 3 292.398 3.004 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001481979362 927122327 /nfs/dbraw/zinc/12/23/27/927122327.db2.gz OKKFEEZMMMZPTC-AWEZNQCLSA-N 0 3 298.858 3.147 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)CNC[C@@H](F)CC)CCCCC1 ZINC001483297471 927474206 /nfs/dbraw/zinc/47/42/06/927474206.db2.gz YKMVIZOTNSWPGD-GJZGRUSLSA-N 0 3 298.446 3.355 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1 ZINC001483678915 927569325 /nfs/dbraw/zinc/56/93/25/927569325.db2.gz VCFZSCCCUURLAE-YJBOKZPZSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001483694151 927578647 /nfs/dbraw/zinc/57/86/47/927578647.db2.gz KGUYLQYKTGMTTF-HZPDHXFCSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(c2cn[nH]c2)CC1 ZINC000352651571 927616724 /nfs/dbraw/zinc/61/67/24/927616724.db2.gz CAVUESWLVKFJRA-UHFFFAOYSA-N 0 3 297.402 3.354 20 30 CGEDHN C#CCN(C(=O)CCCCC)C1CCN(CC(=C)C)CC1 ZINC001483979823 927656495 /nfs/dbraw/zinc/65/64/95/927656495.db2.gz CRXNRYXOLNGXDC-UHFFFAOYSA-N 0 3 290.451 3.069 20 30 CGEDHN C=CCCCC(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001484142447 927681084 /nfs/dbraw/zinc/68/10/84/927681084.db2.gz QGQMIJNHEPKZQK-UXBLZVDNSA-N 0 3 298.858 3.314 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)C(CC)CC ZINC001485060400 927801223 /nfs/dbraw/zinc/80/12/23/927801223.db2.gz CISIRIWAQSUPLS-GDBMZVCRSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(CCCC)cc1 ZINC001485327485 927849698 /nfs/dbraw/zinc/84/96/98/927849698.db2.gz VSWQJFOSWDERNJ-HNNXBMFYSA-N 0 3 288.435 3.265 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001473405818 937198650 /nfs/dbraw/zinc/19/86/50/937198650.db2.gz LSFXCEJYXYIEGO-HUUCEWRRSA-N 0 3 279.424 3.396 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001485702262 927907368 /nfs/dbraw/zinc/90/73/68/927907368.db2.gz NFBPGGYULKFDGN-UMVBOHGHSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN(C)CCN(C(=O)CCC1CCCC1)C(C)C ZINC001486361803 928011174 /nfs/dbraw/zinc/01/11/74/928011174.db2.gz TZBGXABZKWEHBA-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C#Cc1ccc(C(=O)Nc2ccc(CN(C)C)cc2F)cc1 ZINC001451395189 937390631 /nfs/dbraw/zinc/39/06/31/937390631.db2.gz XYYMDQOYKYIBIX-UHFFFAOYSA-N 0 3 296.345 3.121 20 30 CGEDHN CCS[C@H]1CC[C@H](N(C)Cc2cc(C#N)ccn2)C1 ZINC001459554111 937491714 /nfs/dbraw/zinc/49/17/14/937491714.db2.gz AFZVVOZHPZOZPY-GJZGRUSLSA-N 0 3 275.421 3.059 20 30 CGEDHN C#C[C@@H](C)N(C)CCSc1cccc(Cl)c1 ZINC001460026769 937511844 /nfs/dbraw/zinc/51/18/44/937511844.db2.gz CAVDTDRJZHYJJD-LLVKDONJSA-N 0 3 253.798 3.386 20 30 CGEDHN CCCCCCCCCN1CCc2c(=O)[nH]n(C)c2C1 ZINC001460630936 937537623 /nfs/dbraw/zinc/53/76/23/937537623.db2.gz PBMHNKVSEIHMTB-UHFFFAOYSA-N 0 3 279.428 3.234 20 30 CGEDHN C=C(CNCc1cccc2[nH]c(=O)oc21)c1ccccc1 ZINC001461155903 937567000 /nfs/dbraw/zinc/56/70/00/937567000.db2.gz YPRYNWHLIVDIEG-UHFFFAOYSA-N 0 3 280.327 3.336 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001230646521 932602575 /nfs/dbraw/zinc/60/25/75/932602575.db2.gz QGKOXLZPHTYPMY-UONOGXRCSA-N 0 3 292.448 3.249 20 30 CGEDHN N#Cc1cnccc1-c1ccc(F)c(CN2CCCC2)c1 ZINC001244335951 932707867 /nfs/dbraw/zinc/70/78/67/932707867.db2.gz NCNYSZKFOWVMAA-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C(C)C)[C@H]1C ZINC001332186505 932734923 /nfs/dbraw/zinc/73/49/23/932734923.db2.gz UFNZWHLWDOPIJN-HUUCEWRRSA-N 0 3 280.456 3.214 20 30 CGEDHN CC(=NN[C@@H]1CCCSC1)c1c(C)cc(N)cc1C ZINC001333220593 932755745 /nfs/dbraw/zinc/75/57/45/932755745.db2.gz NVFYRCYVRRVKMN-CQSZACIVSA-N 0 3 277.437 3.095 20 30 CGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001491960772 932800312 /nfs/dbraw/zinc/80/03/12/932800312.db2.gz XDTHNVWJDUPSNK-INIZCTEOSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1cc(C(C)(C)C)oc1C ZINC001492435633 932817027 /nfs/dbraw/zinc/81/70/27/932817027.db2.gz VOYRJISIZBNSAV-UHFFFAOYSA-N 0 3 292.423 3.123 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(N(C)c2ccccc2)CC1 ZINC001307517060 932965757 /nfs/dbraw/zinc/96/57/57/932965757.db2.gz SAYRKCKEODAYIM-MRXNPFEDSA-N 0 3 270.420 3.389 20 30 CGEDHN CC(C)C[C@H]1CCCN(Cc2cc(C#N)ccn2)C1 ZINC001307584467 932973390 /nfs/dbraw/zinc/97/33/90/932973390.db2.gz SJZYFZNASTXPGH-OAHLLOKOSA-N 0 3 257.381 3.211 20 30 CGEDHN C#CCOCCN[C@@H](Cc1ccccc1)c1ccccc1F ZINC001307625702 932977467 /nfs/dbraw/zinc/97/74/67/932977467.db2.gz SKYVANLHRLUMGS-IBGZPJMESA-N 0 3 297.373 3.349 20 30 CGEDHN C=C(CC)CN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001307838490 933006096 /nfs/dbraw/zinc/00/60/96/933006096.db2.gz FFIORGQOEHWNBT-MRXNPFEDSA-N 0 3 258.409 3.159 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N1CCC[C@H](C2CCCC2)C1 ZINC001308157892 933060393 /nfs/dbraw/zinc/06/03/93/933060393.db2.gz QIVXEDMBGKNDBM-GJZGRUSLSA-N 0 3 265.397 3.006 20 30 CGEDHN C#Cc1ccc(CN2CC(C)(c3ccccc3)C2)cc1 ZINC001308874292 933195340 /nfs/dbraw/zinc/19/53/40/933195340.db2.gz STAUSEAZQSLQOI-UHFFFAOYSA-N 0 3 261.368 3.441 20 30 CGEDHN C#CCN1CCC[C@@H](CNC(=O)CCCC[C@@H](C)CC)C1 ZINC001317133312 933536633 /nfs/dbraw/zinc/53/66/33/933536633.db2.gz YLRIZGKSGMTFET-IRXDYDNUSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1CC(=C)C ZINC001317178332 933547650 /nfs/dbraw/zinc/54/76/50/933547650.db2.gz LNJNPUIGGTWQOT-WBVHZDCISA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001317415366 933588789 /nfs/dbraw/zinc/58/87/89/933588789.db2.gz KLNKRZGCMFZIBF-HOCLYGCPSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCC2(C)C)CCCC1 ZINC001319373222 933863344 /nfs/dbraw/zinc/86/33/44/933863344.db2.gz XSILIVSLGYXUPJ-CYBMUJFWSA-N 0 3 298.858 3.194 20 30 CGEDHN C#CCN(Cc1cc(F)cc2cccnc21)CC1CC1 ZINC001319721502 933921982 /nfs/dbraw/zinc/92/19/82/933921982.db2.gz KLXDGODHOMNURG-UHFFFAOYSA-N 0 3 268.335 3.219 20 30 CGEDHN CCN(CC)[C@H](CNc1cccc(CC#N)n1)c1ccco1 ZINC001320359965 934036878 /nfs/dbraw/zinc/03/68/78/934036878.db2.gz ZJEDONDQVWVPJH-OAHLLOKOSA-N 0 3 298.390 3.236 20 30 CGEDHN C#CCOCCN(C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC001320752561 934097994 /nfs/dbraw/zinc/09/79/94/934097994.db2.gz NQFCKRRVXHVFKN-UHFFFAOYSA-N 0 3 295.810 3.209 20 30 CGEDHN COc1cccc2cc(CN[C@@H]3CC[C@@H](C#N)C3)oc21 ZINC001321180198 934159459 /nfs/dbraw/zinc/15/94/59/934159459.db2.gz RSTFQYXELIJHRC-DGCLKSJQSA-N 0 3 270.332 3.223 20 30 CGEDHN C#CCN(Cc1nccc2ccccc21)CC1CC1 ZINC001323330606 934387391 /nfs/dbraw/zinc/38/73/91/934387391.db2.gz ICYRNWQCPSLYSZ-UHFFFAOYSA-N 0 3 250.345 3.080 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1cc(C)c(F)c(C)c1 ZINC001324023685 934449837 /nfs/dbraw/zinc/44/98/37/934449837.db2.gz YRKKNCYUQLVIEM-TZMCWYRMSA-N 0 3 251.345 3.294 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@H](CC)C(C)C)C1 ZINC001324668066 934546153 /nfs/dbraw/zinc/54/61/53/934546153.db2.gz CTOKCWGQDUQSLK-RDJZCZTQSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001324679737 934547597 /nfs/dbraw/zinc/54/75/97/934547597.db2.gz FMBIIPXKIQMDNY-ZMBJWTFHSA-N 0 3 298.430 3.165 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H]1CCC2(CCC2)O1 ZINC001473319615 937801869 /nfs/dbraw/zinc/80/18/69/937801869.db2.gz XQEGXYRLOCQANX-MRXNPFEDSA-N 0 3 275.392 3.412 20 30 CGEDHN C=C(CC)CN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001473382515 937803867 /nfs/dbraw/zinc/80/38/67/937803867.db2.gz YLPKRRNNOYZIIC-QGZVFWFLSA-N 0 3 294.439 3.428 20 30 CGEDHN C#CCN(C[C@@H]1CCC2(CCCCCC2)O1)C1CC1 ZINC001473482046 937808409 /nfs/dbraw/zinc/80/84/09/937808409.db2.gz PHYLATNBXREHAN-INIZCTEOSA-N 0 3 261.409 3.356 20 30 CGEDHN C=CCCN1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001473578968 937811843 /nfs/dbraw/zinc/81/18/43/937811843.db2.gz VQWIPFMYVXLXKL-RDBSUJKOSA-N 0 3 282.428 3.281 20 30 CGEDHN C=CCCN1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001473578967 937811975 /nfs/dbraw/zinc/81/19/75/937811975.db2.gz VQWIPFMYVXLXKL-MGPQQGTHSA-N 0 3 282.428 3.281 20 30 CGEDHN CC#CCN1[C@@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001473595170 937813068 /nfs/dbraw/zinc/81/30/68/937813068.db2.gz RGACILYUAYQHQW-ILXRZTDVSA-N 0 3 294.439 3.023 20 30 CGEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc[nH]1 ZINC001326030653 934944723 /nfs/dbraw/zinc/94/47/23/934944723.db2.gz JXBYAOJOUSZBPY-BZOOQXSSSA-N 0 3 265.360 3.289 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(C2CC2)c1 ZINC001328799592 935170003 /nfs/dbraw/zinc/17/00/03/935170003.db2.gz XNWWOQPPRJONDM-SFHVURJKSA-N 0 3 298.430 3.286 20 30 CGEDHN CCCCCCCN1CCC[C@H](NC(=O)C(F)F)[C@@H]1C ZINC001332163434 935445380 /nfs/dbraw/zinc/44/53/80/935445380.db2.gz ZNYKESPUSGADBI-STQMWFEESA-N 0 3 290.398 3.191 20 30 CGEDHN CCc1ccc([C@@H](COC)NCC2CCC(C#N)CC2)o1 ZINC001332868243 935492887 /nfs/dbraw/zinc/49/28/87/935492887.db2.gz VCAOAEACUQVEAM-ZBCRRDGASA-N 0 3 290.407 3.449 20 30 CGEDHN N#Cc1ccc(CN2CCCSC[C@@H]2C2CC2)s1 ZINC001333446212 935535915 /nfs/dbraw/zinc/53/59/15/935535915.db2.gz YBVVHSVDOVVJMX-CQSZACIVSA-N 0 3 278.446 3.337 20 30 CGEDHN CC(C)(NCc1cncc(C#N)c1)c1cccs1 ZINC001334772528 936112960 /nfs/dbraw/zinc/11/29/60/936112960.db2.gz OFHKVOBCHFVIJS-UHFFFAOYSA-N 0 3 257.362 3.040 20 30 CGEDHN N#CCC[C@H](C#N)CNCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001336736283 936212145 /nfs/dbraw/zinc/21/21/45/936212145.db2.gz LMPSTGAJNIJCPZ-KZNAEPCWSA-N 0 3 281.403 3.288 20 30 CGEDHN C#CCN(Cc1ccc(C(=O)OC(C)C)cc1)C(C)C ZINC001473817829 937823217 /nfs/dbraw/zinc/82/32/17/937823217.db2.gz ZFDMGNQCRXXGPY-UHFFFAOYSA-N 0 3 273.376 3.095 20 30 CGEDHN COCC#CCN1CCC(c2cc(C)cc(C)c2)CC1 ZINC001473862266 937825502 /nfs/dbraw/zinc/82/55/02/937825502.db2.gz AZVOQFCDXMTBQG-UHFFFAOYSA-N 0 3 271.404 3.133 20 30 CGEDHN CC(C)c1ccc2c(c1)CCN(C[C@H](O)CC1(C#N)CC1)C2 ZINC001473905945 937828746 /nfs/dbraw/zinc/82/87/46/937828746.db2.gz YOSAHVCUZYCOKZ-GOSISDBHSA-N 0 3 298.430 3.223 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC2=CCCCC2)C1 ZINC001479285354 937918684 /nfs/dbraw/zinc/91/86/84/937918684.db2.gz NYWQXFJYKPWIJR-GASCZTMLSA-N 0 3 296.842 3.114 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001479734246 937924584 /nfs/dbraw/zinc/92/45/84/937924584.db2.gz LAEIXJGVNLJLOC-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001480097546 937932057 /nfs/dbraw/zinc/93/20/57/937932057.db2.gz FZBBMRQFWPTJBU-IYBDPMFKSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CC1(CC(=O)N2C[C@@H]3C[C@H]2CN3CCC)CCCCC1 ZINC001494679884 937955772 /nfs/dbraw/zinc/95/57/72/937955772.db2.gz XBXXZORVECSFGC-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCC2CCCC2)C1 ZINC001494922536 937957390 /nfs/dbraw/zinc/95/73/90/937957390.db2.gz AJPXWGDDLOVNHK-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC(=O)N[C@]1(CNCC(=C)Cl)CCCC[C@H]1C ZINC001495308031 937958680 /nfs/dbraw/zinc/95/86/80/937958680.db2.gz NXEDKAUZNKQNKU-CJNGLKHVSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCN1[C@@H](C)c1ccccc1C ZINC001498944693 937971322 /nfs/dbraw/zinc/97/13/22/937971322.db2.gz QBUSPMDOHSVTGI-HOTGVXAUSA-N 0 3 286.419 3.213 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(CCCC)CC1 ZINC001499058819 937972215 /nfs/dbraw/zinc/97/22/15/937972215.db2.gz XGEXXFSADJCZRS-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC001499093776 937972388 /nfs/dbraw/zinc/97/23/88/937972388.db2.gz RPMYTBGJKOVOGZ-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CC1(CC(=O)N2C[C@@H](NCCF)C[C@H]2C)CCCCC1 ZINC001507324512 937994983 /nfs/dbraw/zinc/99/49/83/937994983.db2.gz KOILLIZOJOBLMB-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@H](NC/C=C\Cl)C[C@@H]2C)CC1 ZINC001507320530 937995009 /nfs/dbraw/zinc/99/50/09/937995009.db2.gz NJMRAWKGHDSDAB-SUXGKNLPSA-N 0 3 296.842 3.064 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(CC)CCC2)[C@H]1C ZINC001507381034 937995533 /nfs/dbraw/zinc/99/55/33/937995533.db2.gz HWUCPHQJNQTZMD-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN(C)CCN(C(=O)CCc1cccs1)C(C)C ZINC001507863506 937997136 /nfs/dbraw/zinc/99/71/36/937997136.db2.gz VAPYPLRTGQWJDF-UHFFFAOYSA-N 0 3 294.464 3.036 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC001520035827 938022673 /nfs/dbraw/zinc/02/26/73/938022673.db2.gz IBNBWCQZTJBFRL-HNNXBMFYSA-N 0 3 295.386 3.447 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCCCCSC ZINC001520036330 938022724 /nfs/dbraw/zinc/02/27/24/938022724.db2.gz LWLSFRGPAUHMEG-CYBMUJFWSA-N 0 3 293.436 3.393 20 30 CGEDHN N#CC(C(=O)CCC(F)F)c1nc2c(cccc2Cl)[nH]1 ZINC001520069944 938022995 /nfs/dbraw/zinc/02/29/95/938022995.db2.gz TYZVQFYSADGXED-ZETCQYMHSA-N 0 3 297.692 3.438 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC1(c2ccccc2F)CCC1 ZINC001521758551 938034252 /nfs/dbraw/zinc/03/42/52/938034252.db2.gz MINGMDLOIWQBPZ-HNNXBMFYSA-N 0 3 290.382 3.005 20 30 CGEDHN CCC#C[C@@H](C)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001559519255 938228185 /nfs/dbraw/zinc/22/81/85/938228185.db2.gz XKKGLIGOGXFQQF-HUUCEWRRSA-N 0 3 294.439 3.025 20 30 CGEDHN C=CC[C@H]1CCCN(CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC001559983706 938240937 /nfs/dbraw/zinc/24/09/37/938240937.db2.gz ZHUZAAUUARZFBZ-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCN1CCOC[C@@H]1CC1CCOCC1 ZINC001560204019 938247115 /nfs/dbraw/zinc/24/71/15/938247115.db2.gz VJXIBXPHCLPSAV-KRWDZBQOSA-N 0 3 283.456 3.474 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(OC)c(C(C)(C)C)c1 ZINC001560448073 938258800 /nfs/dbraw/zinc/25/88/00/938258800.db2.gz QUGZZLLVMDUWPX-CQSZACIVSA-N 0 3 277.408 3.283 20 30 CGEDHN C#Cc1cccc(CNCc2ccccc2N(C)C)c1 ZINC001560503642 938260773 /nfs/dbraw/zinc/26/07/73/938260773.db2.gz TZPMDVZGQNEPOL-UHFFFAOYSA-N 0 3 264.372 3.024 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(N(C)c2ccccc2)cc1 ZINC001560540930 938262107 /nfs/dbraw/zinc/26/21/07/938262107.db2.gz GADFQILMSWVJSC-MRXNPFEDSA-N 0 3 282.387 3.091 20 30 CGEDHN C#CCC1(NCc2cc(Cl)cc3c2OCC3)CCC1 ZINC001560598703 938264863 /nfs/dbraw/zinc/26/48/63/938264863.db2.gz KOULQCJEQKRCLI-UHFFFAOYSA-N 0 3 275.779 3.311 20 30 CGEDHN N#CCCC[C@H](NCc1cccnc1N)c1ccccc1 ZINC001560853743 938279826 /nfs/dbraw/zinc/27/98/26/938279826.db2.gz GOZQUUPGDFIWEU-INIZCTEOSA-N 0 3 280.375 3.189 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001560900739 938283004 /nfs/dbraw/zinc/28/30/04/938283004.db2.gz HIRAIAVVVZGEAC-CYBMUJFWSA-N 0 3 292.373 3.266 20 30 CGEDHN C#C[C@@H]1CCCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC001560906480 938283109 /nfs/dbraw/zinc/28/31/09/938283109.db2.gz KYYLIAREENTFCT-RYWCDNDXSA-N 0 3 261.315 3.323 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1 ZINC001560923754 938284410 /nfs/dbraw/zinc/28/44/10/938284410.db2.gz LXFXDUYESDSIDI-OAHLLOKOSA-N 0 3 269.392 3.431 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCC1(CC(C)C)CCCC1 ZINC001574903766 960466450 /nfs/dbraw/zinc/46/64/50/960466450.db2.gz VZDUFDYFOVNTFE-OAHLLOKOSA-N 0 3 280.456 3.393 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(CC(C)C)CCC2)CC1 ZINC001566611210 960961696 /nfs/dbraw/zinc/96/16/96/960961696.db2.gz ZYTRMGYVZGZSQS-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CC2(C)CC2)CC1 ZINC001566700371 960987149 /nfs/dbraw/zinc/98/71/49/960987149.db2.gz YIOSIDVWBIRYKE-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)CCC1CC1)c1ccccc1 ZINC001567657339 961376673 /nfs/dbraw/zinc/37/66/73/961376673.db2.gz IXXVQCCCDYFEJP-KRWDZBQOSA-N 0 3 286.419 3.200 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(C)C ZINC001567862090 961448397 /nfs/dbraw/zinc/44/83/97/961448397.db2.gz HQZZYLGHXMSGFE-HOTGVXAUSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H]2CNC[C@@H](F)CC)CCC1 ZINC001568146250 961505678 /nfs/dbraw/zinc/50/56/78/961505678.db2.gz MGHZQSWZXUTIAS-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2sccc2s1 ZINC001569125187 961701258 /nfs/dbraw/zinc/70/12/58/961701258.db2.gz RQTMOZSQOQSBGC-SNVBAGLBSA-N 0 3 294.445 3.199 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2sccc2s1 ZINC001569125186 961704245 /nfs/dbraw/zinc/70/42/45/961704245.db2.gz RQTMOZSQOQSBGC-JTQLQIEISA-N 0 3 294.445 3.199 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)CCC1CCCC1 ZINC001569179942 961715954 /nfs/dbraw/zinc/71/59/54/961715954.db2.gz UQQQNBKOXXXZFL-UHFFFAOYSA-N 0 3 286.847 3.147 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1CCCC(C)C ZINC001569359753 961745441 /nfs/dbraw/zinc/74/54/41/961745441.db2.gz LPOYAQFUTRZHTI-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)C2CCC2)cc1 ZINC001570031266 961888138 /nfs/dbraw/zinc/88/81/38/961888138.db2.gz KPXDCUNIJSWMQR-GJZGRUSLSA-N 0 3 298.430 3.023 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)/C(C)=C/CC)cc1 ZINC001570030013 961890724 /nfs/dbraw/zinc/89/07/24/961890724.db2.gz MEGIIUXANMIWNA-AHQMPEJBSA-N 0 3 298.430 3.333 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001570540699 961991991 /nfs/dbraw/zinc/99/19/91/961991991.db2.gz RPKBXONPGJFYKK-WMZOPIPTSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](CC)CCC ZINC001570827310 962092892 /nfs/dbraw/zinc/09/28/92/962092892.db2.gz OJSZUERMHLARQJ-HZPDHXFCSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001570902173 962106194 /nfs/dbraw/zinc/10/61/94/962106194.db2.gz MUNPPMHLBBFAHY-HZPDHXFCSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001570907462 962109504 /nfs/dbraw/zinc/10/95/04/962109504.db2.gz HDWCLGVBTHSZHV-CVEARBPZSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001571517244 962170777 /nfs/dbraw/zinc/17/07/77/962170777.db2.gz PTEKPPOJKZETHV-GDBMZVCRSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CCC1(C(=O)N[C@H](CNCCF)C(C)(C)C)CCCC1 ZINC001571638947 962200662 /nfs/dbraw/zinc/20/06/62/962200662.db2.gz CGUPSXIDJXBLKC-CQSZACIVSA-N 0 3 298.446 3.213 20 30 CGEDHN C#Cc1ccc(NCc2cc(C(C)(C)N)no2)c(Cl)c1 ZINC001574757359 962319959 /nfs/dbraw/zinc/31/99/59/962319959.db2.gz MTTRXOSWRMCLIH-UHFFFAOYSA-N 0 3 289.766 3.115 20 30 CGEDHN COc1cccc(NC2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000573342013 334929802 /nfs/dbraw/zinc/92/98/02/334929802.db2.gz GQZOXLUGLIXBGJ-YOEHRIQHSA-N 0 3 299.418 3.264 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337424911 214074075 /nfs/dbraw/zinc/07/40/75/214074075.db2.gz RZUZHYNTHJNMCP-ZIAGYGMSSA-N 0 3 298.308 3.337 20 30 CGEDHN C=CC[C@H](C)NCc1ccnn1CCc1ccccc1 ZINC000621336289 349499963 /nfs/dbraw/zinc/49/99/63/349499963.db2.gz RNFPUEAPKKGTCG-HNNXBMFYSA-N 0 3 269.392 3.180 20 30 CGEDHN C[C@@]1(NCC#Cc2ccc(Cl)cc2)CCO[C@H]1C1CC1 ZINC000273071109 192036509 /nfs/dbraw/zinc/03/65/09/192036509.db2.gz OKEQYXGPIQIKJR-DLBZAZTESA-N 0 3 289.806 3.239 20 30 CGEDHN N#Cc1c(C(F)F)cccc1N1CCN(CC2CC2)CC1 ZINC000590574213 346851834 /nfs/dbraw/zinc/85/18/34/346851834.db2.gz FUAWEODNBCGCNL-UHFFFAOYSA-N 0 3 291.345 3.028 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](CO)c2ccsc2)C1 ZINC000651764825 398284869 /nfs/dbraw/zinc/28/48/69/398284869.db2.gz PRAIZAQISWFNSV-MRVWCRGKSA-N 0 3 251.395 3.116 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000651811380 398290615 /nfs/dbraw/zinc/29/06/15/398290615.db2.gz PSDAXSOMZNEPSP-OCCSQVGLSA-N 0 3 276.355 3.099 20 30 CGEDHN CCO[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000591015012 346894219 /nfs/dbraw/zinc/89/42/19/346894219.db2.gz HYUZNZYPDXJUSB-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN N#CC1(CCN2CCN(c3ccncc3)CC2)CCCCC1 ZINC000591016704 346894475 /nfs/dbraw/zinc/89/44/75/346894475.db2.gz GJBQFZZORMPNCQ-UHFFFAOYSA-N 0 3 298.434 3.068 20 30 CGEDHN N#CC1(CCN2CCC[C@H](c3cc[nH]n3)C2)CCCCC1 ZINC000591011592 346894550 /nfs/dbraw/zinc/89/45/50/346894550.db2.gz ZJIQBMHKGABARO-HNNXBMFYSA-N 0 3 286.423 3.453 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](C3CCC3)C2)c1F ZINC000591063067 346898087 /nfs/dbraw/zinc/89/80/87/346898087.db2.gz IENKPCCCUNTVQO-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN CC[C@@H](CSC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358578627 529532112 /nfs/dbraw/zinc/53/21/12/529532112.db2.gz VVIZUJXLYMKCND-JQWIXIFHSA-N 0 3 266.385 3.490 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc(Cl)s1 ZINC000347102790 529546251 /nfs/dbraw/zinc/54/62/51/529546251.db2.gz IJMLWXPHUMAENA-SFYZADRCSA-N 0 3 256.758 3.128 20 30 CGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000338371668 214561338 /nfs/dbraw/zinc/56/13/38/214561338.db2.gz IKSFEPPNZNYCHZ-AWEZNQCLSA-N 0 3 291.354 3.160 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN([C@H](C)[C@@H](C)CC)C1CC1 ZINC000591474405 346926150 /nfs/dbraw/zinc/92/61/50/346926150.db2.gz CEZZVAZSUOTIGK-LSDHHAIUSA-N 0 3 280.456 3.310 20 30 CGEDHN Cc1ccc(C[C@@H](C)NC[C@@H](C#N)CCC#N)s1 ZINC000591743538 346934386 /nfs/dbraw/zinc/93/43/86/346934386.db2.gz BPGQNBRBRXEBRS-DGCLKSJQSA-N 0 3 261.394 3.021 20 30 CGEDHN CCc1ccc([C@@H]2CCCCCN2C(=O)C(C)C#N)o1 ZINC000335265017 529712521 /nfs/dbraw/zinc/71/25/21/529712521.db2.gz UWBNPOHCGWKONX-JSGCOSHPSA-N 0 3 274.364 3.445 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](C)NCc1ccncc1C#N ZINC000592098306 346962466 /nfs/dbraw/zinc/96/24/66/346962466.db2.gz OLLOUBPWCKPSSN-KBPBESRZSA-N 0 3 265.360 3.235 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)C(C)(C)c1ccccc1 ZINC000592095398 346962572 /nfs/dbraw/zinc/96/25/72/346962572.db2.gz VPSKMLVFVVDMNZ-AWEZNQCLSA-N 0 3 279.387 3.409 20 30 CGEDHN Cc1cccc(C2(NCc3ccnc(C#N)c3)CCC2)c1 ZINC000592147056 346967010 /nfs/dbraw/zinc/96/70/10/346967010.db2.gz ZINLBGLDNPIAJX-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN Cc1cc(C)c([C@H](C)N2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592151564 346967889 /nfs/dbraw/zinc/96/78/89/346967889.db2.gz NPFFZAZEYXPRAB-DOTOQJQBSA-N 0 3 272.392 3.023 20 30 CGEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)[C@@H]1SC ZINC000592173381 346968582 /nfs/dbraw/zinc/96/85/82/346968582.db2.gz RMEOJVCCVBAPCF-SRMUXQRQSA-N 0 3 290.432 3.118 20 30 CGEDHN CC(C)=CCC[C@H](C)CCN1CC[C@](O)(CC#N)C1 ZINC000592521815 346995432 /nfs/dbraw/zinc/99/54/32/346995432.db2.gz CHESCNQSPZSSPB-JKSUJKDBSA-N 0 3 264.413 3.109 20 30 CGEDHN N#Cc1cncc(-c2cc(CN3CCCC3)ccc2F)c1 ZINC000592986782 347023728 /nfs/dbraw/zinc/02/37/28/347023728.db2.gz PQNSYPGTNLSLSA-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C=CCNC(=O)CN[C@@H](C)c1ccc([C@@H](C)CC)cc1 ZINC000623946141 349924775 /nfs/dbraw/zinc/92/47/75/349924775.db2.gz OKJFLDGEXYFXKL-KBPBESRZSA-N 0 3 274.408 3.153 20 30 CGEDHN C=CCN(CCCc1cnn(C)c1)Cc1ccc(OC)cc1 ZINC000054337624 345132946 /nfs/dbraw/zinc/13/29/46/345132946.db2.gz AYKAKOZDFKGITO-UHFFFAOYSA-N 0 3 299.418 3.050 20 30 CGEDHN CCN(Cc1ccc(CN(C)C)cc1)c1ncccc1C#N ZINC000066816195 345307236 /nfs/dbraw/zinc/30/72/36/345307236.db2.gz MUMOWPNFBRJRQR-UHFFFAOYSA-N 0 3 294.402 3.041 20 30 CGEDHN CC[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000068754762 345361508 /nfs/dbraw/zinc/36/15/08/345361508.db2.gz WZHCNWWXEPLNRY-MRXNPFEDSA-N 0 3 251.333 3.194 20 30 CGEDHN C=CCOc1ccc(CN(C)CCCSC)cc1 ZINC000075592175 345513718 /nfs/dbraw/zinc/51/37/18/345513718.db2.gz WJIJMOUQWFPSBV-UHFFFAOYSA-N 0 3 265.422 3.436 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000078357663 345603283 /nfs/dbraw/zinc/60/32/83/345603283.db2.gz SBJZUYNDCBASDE-SFHVURJKSA-N 0 3 297.398 3.115 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2Cc3ccccc32)c(F)c1 ZINC000090992458 345799821 /nfs/dbraw/zinc/79/98/21/345799821.db2.gz QEELYAGOOAWYML-HNNXBMFYSA-N 0 3 266.319 3.127 20 30 CGEDHN N#Cc1ccncc1NC[C@H](c1cccs1)N1CCCC1 ZINC000094131904 345896207 /nfs/dbraw/zinc/89/62/07/345896207.db2.gz ZPZXYALFLWJTJG-OAHLLOKOSA-N 0 3 298.415 3.264 20 30 CGEDHN C=CCCCCCN(C)Cc1cnc(N(C)C)s1 ZINC000093498026 345881005 /nfs/dbraw/zinc/88/10/05/345881005.db2.gz GQZYROSKNDCFMD-UHFFFAOYSA-N 0 3 267.442 3.387 20 30 CGEDHN C=CCOc1ccccc1CNC[C@](C)(O)[C@@H](C)CC ZINC000112379977 345954636 /nfs/dbraw/zinc/95/46/36/345954636.db2.gz SMYNAQZHGUMQRJ-YOEHRIQHSA-N 0 3 277.408 3.138 20 30 CGEDHN COc1ccc(C[C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000151139724 346135445 /nfs/dbraw/zinc/13/54/45/346135445.db2.gz LKJAMHWVBVMGGJ-ZDUSSCGKSA-N 0 3 298.361 3.427 20 30 CGEDHN CCCN(CCCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611360 346209182 /nfs/dbraw/zinc/20/91/82/346209182.db2.gz CLOZNYAXTJUJCV-AWEZNQCLSA-N 0 3 295.427 3.012 20 30 CGEDHN CCOc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000174560613 346243610 /nfs/dbraw/zinc/24/36/10/346243610.db2.gz LSPBBKNKIRNUFP-UHFFFAOYSA-N 0 3 296.370 3.126 20 30 CGEDHN C=CCCCCCN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000193346835 346269316 /nfs/dbraw/zinc/26/93/16/346269316.db2.gz SNMIVTFPOUBXDB-INIZCTEOSA-N 0 3 290.407 3.107 20 30 CGEDHN C[C@H]1CN(Cc2cccc(C#N)c2)c2ccccc2CN1 ZINC000230230989 346320617 /nfs/dbraw/zinc/32/06/17/346320617.db2.gz TYPFGJOICJUPBR-AWEZNQCLSA-N 0 3 277.371 3.057 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cccc(C#N)n2)C1 ZINC000339217871 215018161 /nfs/dbraw/zinc/01/81/61/215018161.db2.gz LNPPMNFMYPODAS-WMLDXEAASA-N 0 3 292.386 3.201 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(Cl)s1 ZINC000320805799 346489494 /nfs/dbraw/zinc/48/94/94/346489494.db2.gz WKGUNTNAFHTRJH-NXEZZACHSA-N 0 3 259.802 3.379 20 30 CGEDHN N#CC1(CNCC2Cc3ccccc3C2)CCCC1 ZINC000593654797 347100841 /nfs/dbraw/zinc/10/08/41/347100841.db2.gz OYZZXFMDEHADCP-UHFFFAOYSA-N 0 3 254.377 3.075 20 30 CGEDHN N#CCC1CCN(CCc2c(F)cccc2F)CC1 ZINC000402843048 346595926 /nfs/dbraw/zinc/59/59/26/346595926.db2.gz BASVVBJDWRASPX-UHFFFAOYSA-N 0 3 264.319 3.133 20 30 CGEDHN CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(C)C#N ZINC000463050235 346626017 /nfs/dbraw/zinc/62/60/17/346626017.db2.gz WPBXUJWOOPBNLL-XNRPHZJLSA-N 0 3 270.376 3.222 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H]2OCC)cc1Cl ZINC000582101383 346677452 /nfs/dbraw/zinc/67/74/52/346677452.db2.gz NPJGVVLGEHMLDZ-HIFRSBDPSA-N 0 3 281.783 3.172 20 30 CGEDHN CC(C)(CC(F)(F)F)NCc1cnc2ccc(C#N)cn12 ZINC000585767393 346729315 /nfs/dbraw/zinc/72/93/15/346729315.db2.gz JEVLPSMTOCDEST-UHFFFAOYSA-N 0 3 296.296 3.027 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000586788632 346735616 /nfs/dbraw/zinc/73/56/16/346735616.db2.gz MNRDHGGLUDASGB-LLVKDONJSA-N 0 3 293.326 3.256 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000586794541 346736753 /nfs/dbraw/zinc/73/67/53/346736753.db2.gz JPQJDLJHJREYMJ-HOTGVXAUSA-N 0 3 270.376 3.423 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000589272754 346792005 /nfs/dbraw/zinc/79/20/05/346792005.db2.gz URZSIRGRLYUPOC-SJORKVTESA-N 0 3 284.403 3.256 20 30 CGEDHN CC(C)CC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033658 347140910 /nfs/dbraw/zinc/14/09/10/347140910.db2.gz WZCDBZSIKCRVKS-KRWDZBQOSA-N 0 3 286.419 3.324 20 30 CGEDHN C[C@H](CCC#N)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035302 347141074 /nfs/dbraw/zinc/14/10/74/347141074.db2.gz ODFRDYFYZPMKTK-SNVBAGLBSA-N 0 3 282.290 3.132 20 30 CGEDHN C[C@H]1CN(CCCCC#N)CC2(CCCCC2)O1 ZINC000594057636 347146651 /nfs/dbraw/zinc/14/66/51/347146651.db2.gz JZSITQVYOBBJHQ-AWEZNQCLSA-N 0 3 250.386 3.104 20 30 CGEDHN CC[C@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000594088182 347150822 /nfs/dbraw/zinc/15/08/22/347150822.db2.gz PSPYQQXWCLDBBS-QGZVFWFLSA-N 0 3 299.418 3.047 20 30 CGEDHN CN1CCC(N(C(=O)CCCCC#N)c2ccccc2)CC1 ZINC000593964432 347124663 /nfs/dbraw/zinc/12/46/63/347124663.db2.gz JORZYPNBVZPDJF-UHFFFAOYSA-N 0 3 299.418 3.198 20 30 CGEDHN CCCN(CC1CCCCC1)C(=O)[C@H](N)CCCCC#N ZINC000594430877 347174023 /nfs/dbraw/zinc/17/40/23/347174023.db2.gz CLQOWVZTXGIUAX-MRXNPFEDSA-N 0 3 293.455 3.217 20 30 CGEDHN N#Cc1csc(CN[C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594512925 347183909 /nfs/dbraw/zinc/18/39/09/347183909.db2.gz YLPZWEHXEUXFCX-HUUCEWRRSA-N 0 3 276.405 3.057 20 30 CGEDHN N#CC1(c2ccc(CNCC3=CCCC3)cc2)CC1 ZINC000594990985 347250059 /nfs/dbraw/zinc/25/00/59/347250059.db2.gz WUEMZYIJUOPZRQ-UHFFFAOYSA-N 0 3 252.361 3.442 20 30 CGEDHN N#CC1(c2ccc(CNCc3cccc(O)c3)cc2)CC1 ZINC000594929123 347232296 /nfs/dbraw/zinc/23/22/96/347232296.db2.gz YXYOPLDGPGQBPS-UHFFFAOYSA-N 0 3 278.355 3.237 20 30 CGEDHN CC(C)(CC#N)CNCc1cc2ccncc2s1 ZINC000594945603 347237488 /nfs/dbraw/zinc/23/74/88/347237488.db2.gz GHXWUVKEJXVORE-UHFFFAOYSA-N 0 3 259.378 3.326 20 30 CGEDHN C=CCCSCCNCc1cn2cc(Cl)ccc2n1 ZINC000594960153 347241356 /nfs/dbraw/zinc/24/13/56/347241356.db2.gz LFGZHASGQSYSGK-UHFFFAOYSA-N 0 3 295.839 3.387 20 30 CGEDHN C=CCCSCCNCc1c(C)nn(CCC)c1C ZINC000594960141 347241782 /nfs/dbraw/zinc/24/17/82/347241782.db2.gz KVDBKJPBGAUGMR-UHFFFAOYSA-N 0 3 281.469 3.309 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)cc1F ZINC000594972821 347246462 /nfs/dbraw/zinc/24/64/62/347246462.db2.gz LLZBFMFLUFWGOA-JCNLHEQBSA-N 0 3 296.345 3.397 20 30 CGEDHN Cc1cc(CNC[C@]2(C)CC2(F)F)ccc1C#N ZINC000594976366 347246899 /nfs/dbraw/zinc/24/68/99/347246899.db2.gz BDQIHLUGKKVGPL-ZDUSSCGKSA-N 0 3 250.292 3.002 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000595388457 347297385 /nfs/dbraw/zinc/29/73/85/347297385.db2.gz WBYXBJZSDVGISK-NZSAHSFTSA-N 0 3 295.430 3.200 20 30 CGEDHN N#Cc1ccc(CCN(Cc2ccccn2)C2CC2)cc1 ZINC000595412814 347299220 /nfs/dbraw/zinc/29/92/20/347299220.db2.gz SGIKXDDFWPGTNW-UHFFFAOYSA-N 0 3 277.371 3.160 20 30 CGEDHN CCOC1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000595013887 347257487 /nfs/dbraw/zinc/25/74/87/347257487.db2.gz UWJNQWKODUZZMK-UHFFFAOYSA-N 0 3 276.355 3.135 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)CSCCF ZINC000595016675 347258106 /nfs/dbraw/zinc/25/81/06/347258106.db2.gz ILUHDQYYIKXHKV-ZDUSSCGKSA-N 0 3 283.412 3.432 20 30 CGEDHN Cc1ccncc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000595071669 347276822 /nfs/dbraw/zinc/27/68/22/347276822.db2.gz CLDYXGMWFZAMHT-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN COC1([C@H](C)NCC2(C#N)CCCCC2)CCC1 ZINC000595088337 347280331 /nfs/dbraw/zinc/28/03/31/347280331.db2.gz AUMXEDXVIZIHKG-ZDUSSCGKSA-N 0 3 250.386 3.008 20 30 CGEDHN N#CC[C@H]1CCCN(CCc2nsc3ccccc32)C1 ZINC000595618444 347328727 /nfs/dbraw/zinc/32/87/27/347328727.db2.gz YCYVWHQPGIBAHH-CYBMUJFWSA-N 0 3 285.416 3.464 20 30 CGEDHN CCC(C)(C)[C@@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000595640039 347331721 /nfs/dbraw/zinc/33/17/21/347331721.db2.gz ZTVMPCKVYAQXJP-GFCCVEGCSA-N 0 3 291.395 3.121 20 30 CGEDHN CCC(C)(C)[C@@H](C)[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000595640039 347331725 /nfs/dbraw/zinc/33/17/25/347331725.db2.gz ZTVMPCKVYAQXJP-GFCCVEGCSA-N 0 3 291.395 3.121 20 30 CGEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)CC1=CCCOC1 ZINC000595748012 347349486 /nfs/dbraw/zinc/34/94/86/347349486.db2.gz SSSWMMBOSPGHEJ-UHFFFAOYSA-N 0 3 284.403 3.266 20 30 CGEDHN COc1ccc2c(c1)CCN(CCc1ccc(C#N)cc1)C2 ZINC000595760650 347352865 /nfs/dbraw/zinc/35/28/65/347352865.db2.gz TXYQMBHABQNYPB-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000595779073 347355376 /nfs/dbraw/zinc/35/53/76/347355376.db2.gz YSSOHOYHMRNYPR-HOTGVXAUSA-N 0 3 299.418 3.169 20 30 CGEDHN CO[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595548617 347318274 /nfs/dbraw/zinc/31/82/74/347318274.db2.gz CQSIXLSXZYUCSL-SUMWQHHRSA-N 0 3 272.392 3.366 20 30 CGEDHN CC[C@@H](C)N(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595592621 347322849 /nfs/dbraw/zinc/32/28/49/347322849.db2.gz HAUMSGRKPYIRSV-GFCCVEGCSA-N 0 3 284.363 3.229 20 30 CGEDHN N#CCCCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000595830834 347361968 /nfs/dbraw/zinc/36/19/68/347361968.db2.gz XGIPVPVYNDSWGL-GFCCVEGCSA-N 0 3 287.190 3.310 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858509 347367951 /nfs/dbraw/zinc/36/79/51/347367951.db2.gz WPYGYWLMAQJYEB-IFWAZGHOSA-N 0 3 297.402 3.148 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)CC1=CCSC1 ZINC000595888848 347370766 /nfs/dbraw/zinc/37/07/66/347370766.db2.gz PEHCVTHJMIFOGF-GFCCVEGCSA-N 0 3 258.390 3.224 20 30 CGEDHN C=C(C)CN1CCC(Nc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596116902 347385259 /nfs/dbraw/zinc/38/52/59/347385259.db2.gz YVYBLXUTKMOPRO-UHFFFAOYSA-N 0 3 295.408 3.417 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000597175292 347544277 /nfs/dbraw/zinc/54/42/77/347544277.db2.gz XYOIJGZQVZXIOW-OAHLLOKOSA-N 0 3 270.376 3.377 20 30 CGEDHN C=CCCC[C@H](C)NCc1cc(C)c(C(=O)OC)o1 ZINC000597073985 347533233 /nfs/dbraw/zinc/53/32/33/347533233.db2.gz MBFPVDGJRTWHJA-LBPRGKRZSA-N 0 3 265.353 3.209 20 30 CGEDHN N#Cc1csc(CN2CCC[C@H](CCF)C2)c1 ZINC000597210436 347554916 /nfs/dbraw/zinc/55/49/16/347554916.db2.gz HADWPJLFJUMRNB-LLVKDONJSA-N 0 3 252.358 3.191 20 30 CGEDHN CC(NC(=O)C(C#N)CCc1ccccc1)(C1CC1)C1CC1 ZINC000598382528 347652009 /nfs/dbraw/zinc/65/20/09/347652009.db2.gz ZQHADJLJNUIYNM-OAHLLOKOSA-N 0 3 296.414 3.454 20 30 CGEDHN Cc1cc(-c2cc(CN(C)C)ccc2F)cnc1C#N ZINC000598930548 347699678 /nfs/dbraw/zinc/69/96/78/347699678.db2.gz STHHBVFCSHRCER-UHFFFAOYSA-N 0 3 269.323 3.129 20 30 CGEDHN C=CCOc1c(Cl)cc(CNCCCC#N)cc1OC ZINC000598971793 347702546 /nfs/dbraw/zinc/70/25/46/347702546.db2.gz FMMLMXHODFHTRC-UHFFFAOYSA-N 0 3 294.782 3.307 20 30 CGEDHN Cc1cccc2c1C[C@@H](NCc1ccc(C#N)s1)CO2 ZINC000598986245 347703659 /nfs/dbraw/zinc/70/36/59/347703659.db2.gz GFAQEVSXVQDKIE-GFCCVEGCSA-N 0 3 284.384 3.022 20 30 CGEDHN COc1cc(CNCC(C)(C)CC#N)ccc1Cl ZINC000598981264 347703857 /nfs/dbraw/zinc/70/38/57/347703857.db2.gz MPXFOAHQVVOMPC-UHFFFAOYSA-N 0 3 266.772 3.378 20 30 CGEDHN CCC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)OCC ZINC000599059668 347712664 /nfs/dbraw/zinc/71/26/64/347712664.db2.gz JKVSZCUEWDSRJJ-BBRMVZONSA-N 0 3 260.381 3.414 20 30 CGEDHN CC(C)CC[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000599069545 347713726 /nfs/dbraw/zinc/71/37/26/347713726.db2.gz UKFIMDUZSDYECS-TZMCWYRMSA-N 0 3 278.371 3.145 20 30 CGEDHN CN(Cc1ccc(Cl)c(F)c1)C[C@H](O)CC(C)(C)C#N ZINC000598598950 347669492 /nfs/dbraw/zinc/66/94/92/347669492.db2.gz KFYCCEUUHSQNPG-GFCCVEGCSA-N 0 3 298.789 3.212 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC=C(c2ccccc2)C1 ZINC000598614209 347671553 /nfs/dbraw/zinc/67/15/53/347671553.db2.gz JRICAYAYJFDOBD-QGZVFWFLSA-N 0 3 284.403 3.076 20 30 CGEDHN N#CC[C@]1(O)CCN(CCCCc2cccc(Cl)c2)C1 ZINC000598623671 347672183 /nfs/dbraw/zinc/67/21/83/347672183.db2.gz ARZVTJWKQKKJPZ-INIZCTEOSA-N 0 3 292.810 3.013 20 30 CGEDHN N#CCc1cccc2c1CCN(Cc1ccccc1)C2 ZINC000599676901 347764391 /nfs/dbraw/zinc/76/43/91/347764391.db2.gz VSMVGZZXAIADSB-UHFFFAOYSA-N 0 3 262.356 3.311 20 30 CGEDHN CCCCN(CCOC)Cc1ccc(C)c(C#N)c1 ZINC000599291040 347731936 /nfs/dbraw/zinc/73/19/36/347731936.db2.gz IXOSZYZACBVJAR-UHFFFAOYSA-N 0 3 260.381 3.115 20 30 CGEDHN C[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@@H](C)C1(F)F ZINC000599512560 347749200 /nfs/dbraw/zinc/74/92/00/347749200.db2.gz KHYHIUDWMUUGCK-CHWSQXEVSA-N 0 3 294.345 3.160 20 30 CGEDHN C[C@H]1CN(CCOc2cccc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512778 347749265 /nfs/dbraw/zinc/74/92/65/347749265.db2.gz MQVHMJZIEVWQMD-STQMWFEESA-N 0 3 294.345 3.160 20 30 CGEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)C[C@@H](C)C1(F)F ZINC000599512777 347749351 /nfs/dbraw/zinc/74/93/51/347749351.db2.gz MQVHMJZIEVWQMD-CHWSQXEVSA-N 0 3 294.345 3.160 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)sc2C)C1 ZINC000599526962 347750680 /nfs/dbraw/zinc/75/06/80/347750680.db2.gz YQPBDOFEHWICJJ-GFCCVEGCSA-N 0 3 279.405 3.241 20 30 CGEDHN N#Cc1ccc(CCN2CCCC(F)(F)CC2)cc1 ZINC000599552103 347753351 /nfs/dbraw/zinc/75/33/51/347753351.db2.gz FRSPQMINZSYAOI-UHFFFAOYSA-N 0 3 264.319 3.222 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599592384 347756879 /nfs/dbraw/zinc/75/68/79/347756879.db2.gz YMBBOEJTBASLKJ-KKUMJFAQSA-N 0 3 279.424 3.088 20 30 CGEDHN C=CCC1(NCc2nc(C(=O)OC)cs2)CCCCC1 ZINC000599608779 347757689 /nfs/dbraw/zinc/75/76/89/347757689.db2.gz ABTRPUJPYNLWOH-UHFFFAOYSA-N 0 3 294.420 3.298 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000600161481 347787165 /nfs/dbraw/zinc/78/71/65/347787165.db2.gz JBDOOHSVDGGJGW-VSZNYVQBSA-N 0 3 296.414 3.311 20 30 CGEDHN Cc1ccc(-c2ccc([C@@H]3CNCCO3)cc2)c(C#N)c1 ZINC000600774591 347833023 /nfs/dbraw/zinc/83/30/23/347833023.db2.gz DSVBQOSCCPJABC-SFHVURJKSA-N 0 3 278.355 3.195 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000601173675 347877540 /nfs/dbraw/zinc/87/75/40/347877540.db2.gz HDHGKVRTPVEVEV-MRXNPFEDSA-N 0 3 294.402 3.309 20 30 CGEDHN N#CC1(C[C@@H](O)CN2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000601957937 347929327 /nfs/dbraw/zinc/92/93/27/347929327.db2.gz KICJXEDINLMTST-SJORKVTESA-N 0 3 296.414 3.268 20 30 CGEDHN C[C@H](CCc1cccn1C)NCc1cccc(F)c1C#N ZINC000602010682 347932351 /nfs/dbraw/zinc/93/23/51/347932351.db2.gz IDQHXMIQADDSQT-CYBMUJFWSA-N 0 3 285.366 3.147 20 30 CGEDHN Cc1cccc(CCCNCc2cccc(F)c2C#N)n1 ZINC000602017716 347933233 /nfs/dbraw/zinc/93/32/33/347933233.db2.gz SOPNMLZGJWFECD-UHFFFAOYSA-N 0 3 283.350 3.123 20 30 CGEDHN Cc1cccc(C)c1NC(=O)CN(C)C[C@@H](C)CCC#N ZINC000602434787 347957074 /nfs/dbraw/zinc/95/70/74/347957074.db2.gz ROLJLMURTPLCQC-ZDUSSCGKSA-N 0 3 287.407 3.114 20 30 CGEDHN C[C@H](CCC#N)CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000602447857 347960463 /nfs/dbraw/zinc/96/04/63/347960463.db2.gz GUQCQTHVSHAXNC-ZBFHGGJFSA-N 0 3 276.380 3.200 20 30 CGEDHN Cc1ccccc1[C@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602463208 347962308 /nfs/dbraw/zinc/96/23/08/347962308.db2.gz LOZJUPYBPWBTDJ-HNNXBMFYSA-N 0 3 277.371 3.251 20 30 CGEDHN COc1ccccc1C[C@H](C)N(C)Cc1cccc(C#N)n1 ZINC000602466732 347962933 /nfs/dbraw/zinc/96/29/33/347962933.db2.gz WAUHXRZSZYVEHX-AWEZNQCLSA-N 0 3 295.386 3.025 20 30 CGEDHN CCOC(=O)C1(N(C)C[C@H](C)CCC#N)CCCCC1 ZINC000602474320 347965058 /nfs/dbraw/zinc/96/50/58/347965058.db2.gz GUGSQPKLOSCERU-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN C[C@H](CCC#N)CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000602475538 347965269 /nfs/dbraw/zinc/96/52/69/347965269.db2.gz KSXUJGRDBDKTBS-VYDXJSESSA-N 0 3 272.392 3.388 20 30 CGEDHN C[C@@H](CCC#N)CN(C)Cc1cc(Cl)cn1C ZINC000602482404 347967112 /nfs/dbraw/zinc/96/71/12/347967112.db2.gz GIMKXSHTSDHIGR-NSHDSACASA-N 0 3 253.777 3.050 20 30 CGEDHN COc1ccc(CN(C)C)cc1NC1CCC(C#N)CC1 ZINC000602490454 347968694 /nfs/dbraw/zinc/96/86/94/347968694.db2.gz CXBCSYGJMJLXQQ-UHFFFAOYSA-N 0 3 287.407 3.251 20 30 CGEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)s1 ZINC000602517142 347974400 /nfs/dbraw/zinc/97/44/00/347974400.db2.gz WDRHJKXRERUAFG-GFCCVEGCSA-N 0 3 278.421 3.245 20 30 CGEDHN CCS[C@H]1CCCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602566453 347983501 /nfs/dbraw/zinc/98/35/01/347983501.db2.gz YHKGPUXHKMMBOI-GJZGRUSLSA-N 0 3 275.421 3.107 20 30 CGEDHN CCS[C@@H]1CCCC[C@H]1NCc1cccc(C#N)n1 ZINC000602566629 347984230 /nfs/dbraw/zinc/98/42/30/347984230.db2.gz YHKGPUXHKMMBOI-HUUCEWRRSA-N 0 3 275.421 3.107 20 30 CGEDHN Cc1cccnc1[C@H](NCC1(CC#N)CC1)C(C)C ZINC000602792009 348030062 /nfs/dbraw/zinc/03/00/62/348030062.db2.gz ZPXWWTNKNGVZBR-CQSZACIVSA-N 0 3 257.381 3.371 20 30 CGEDHN CC(C)[C@H](NC1CCC(C#N)CC1)c1nnc2ccccn21 ZINC000602585648 347989005 /nfs/dbraw/zinc/98/90/05/347989005.db2.gz HTYWNABTJLPYBO-XUJLQICISA-N 0 3 297.406 3.098 20 30 CGEDHN N#CC1(CN[C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602644643 348000017 /nfs/dbraw/zinc/00/00/17/348000017.db2.gz ZSOWPNNLRSLJRV-FUHWJXTLSA-N 0 3 295.430 3.248 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](C)CCC#N ZINC000602660673 348003648 /nfs/dbraw/zinc/00/36/48/348003648.db2.gz IGOABSQWYSPCAV-CQSZACIVSA-N 0 3 276.380 3.090 20 30 CGEDHN C[C@@H](CCC#N)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000602669581 348005060 /nfs/dbraw/zinc/00/50/60/348005060.db2.gz KGWOFJMGKDVAEI-DZGCQCFKSA-N 0 3 257.381 3.404 20 30 CGEDHN C[C@H](NCc1cccc(C#N)n1)[C@H]1CCC[C@H](C)C1 ZINC000602685522 348008812 /nfs/dbraw/zinc/00/88/12/348008812.db2.gz IJZJAEFPGNTZOF-IHRRRGAJSA-N 0 3 257.381 3.258 20 30 CGEDHN C[C@H](CCC#N)CN1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000602698198 348012211 /nfs/dbraw/zinc/01/22/11/348012211.db2.gz DOJNRNKHVZQRFX-RDBSUJKOSA-N 0 3 280.412 3.121 20 30 CGEDHN C[C@H](CCC#N)CN[C@H]1CCc2ccccc2-n2ccnc21 ZINC000602714116 348015872 /nfs/dbraw/zinc/01/58/72/348015872.db2.gz GGXGACUQOIHWRL-ZBFHGGJFSA-N 0 3 294.402 3.389 20 30 CGEDHN CC[C@H](C)[C@H](CN1CCc2c(CC#N)cccc2C1)OC ZINC000602731910 348020081 /nfs/dbraw/zinc/02/00/81/348020081.db2.gz YUUVTBLXNORAJT-KSSFIOAISA-N 0 3 286.419 3.172 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](C3CCC3)CC2)n1 ZINC000602743742 348023027 /nfs/dbraw/zinc/02/30/27/348023027.db2.gz ZYPKSARDPZXSLU-OAHLLOKOSA-N 0 3 269.392 3.355 20 30 CGEDHN N#CCC1(CN2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000602765986 348025288 /nfs/dbraw/zinc/02/52/88/348025288.db2.gz JSAAOJMMSBOTNE-UHFFFAOYSA-N 0 3 297.402 3.031 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCCCC2 ZINC000602548195 347979811 /nfs/dbraw/zinc/97/98/11/347979811.db2.gz RQOQYRILCCHPCL-IAGOWNOFSA-N 0 3 299.418 3.171 20 30 CGEDHN CCc1ccc([C@H](COC)NC[C@@H](C)CCC#N)o1 ZINC000602548669 347980062 /nfs/dbraw/zinc/98/00/62/347980062.db2.gz UWCYJHKWYCYBDF-JSGCOSHPSA-N 0 3 264.369 3.059 20 30 CGEDHN CCS[C@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602565683 347983302 /nfs/dbraw/zinc/98/33/02/347983302.db2.gz FUVHWSJRENUTLC-DOMZBBRYSA-N 0 3 275.421 3.107 20 30 CGEDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CC1(CC#N)CC1 ZINC000602846096 348036508 /nfs/dbraw/zinc/03/65/08/348036508.db2.gz LSIFCLKIXBUUIO-UONOGXRCSA-N 0 3 292.423 3.122 20 30 CGEDHN CCN1[C@H](C)CN(CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000602874837 348039155 /nfs/dbraw/zinc/03/91/55/348039155.db2.gz SYFLASRZNJUOBY-IYBDPMFKSA-N 0 3 277.456 3.265 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@H]1c1cn[nH]c1 ZINC000602880312 348039789 /nfs/dbraw/zinc/03/97/89/348039789.db2.gz LZSFXTGLICYCQJ-AWEZNQCLSA-N 0 3 260.385 3.267 20 30 CGEDHN N#Cc1ccccc1NC1CCN(C[C@@H]2CCCCO2)CC1 ZINC000602897342 348041914 /nfs/dbraw/zinc/04/19/14/348041914.db2.gz WJOPRJRAAFEWHZ-KRWDZBQOSA-N 0 3 299.418 3.004 20 30 CGEDHN C[C@H](c1ccccn1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908896 348042497 /nfs/dbraw/zinc/04/24/97/348042497.db2.gz WFPIXZZJRWKFOO-CQSZACIVSA-N 0 3 292.386 3.289 20 30 CGEDHN Cc1cc(CN2CCC(c3ccc(C#N)cn3)CC2)ccn1 ZINC000602907700 348042773 /nfs/dbraw/zinc/04/27/73/348042773.db2.gz SCMSJVMERVYBJH-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN N#Cc1ccc(OCCN2CCC(CCF)CC2)cc1 ZINC000602948343 348046829 /nfs/dbraw/zinc/04/68/29/348046829.db2.gz DJQLSNBIKQXSQV-UHFFFAOYSA-N 0 3 276.355 3.009 20 30 CGEDHN N#CCSCCCN1CCC(Cc2nccs2)CC1 ZINC000602954965 348046967 /nfs/dbraw/zinc/04/69/67/348046967.db2.gz JRQGFNPZEUZJAN-UHFFFAOYSA-N 0 3 295.477 3.044 20 30 CGEDHN CN(CCCCC(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602979475 348050099 /nfs/dbraw/zinc/05/00/99/348050099.db2.gz DSNIDBMOFNERJM-KGLIPLIRSA-N 0 3 280.412 3.122 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)C(C)(C)C)C(C)C ZINC000604332309 348116001 /nfs/dbraw/zinc/11/60/01/348116001.db2.gz XFENVYUUCYXLSV-HOTGVXAUSA-N 0 3 294.483 3.483 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N(C)C1CCCCC1 ZINC000606902279 348206772 /nfs/dbraw/zinc/20/67/72/348206772.db2.gz QMOFNVLJMQGKDC-UHFFFAOYSA-N 0 3 280.456 3.456 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000606933022 348210416 /nfs/dbraw/zinc/21/04/16/348210416.db2.gz OKTKZCOYTVJEQI-XHSDSOJGSA-N 0 3 280.456 3.453 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000609921134 348358450 /nfs/dbraw/zinc/35/84/50/348358450.db2.gz MTMUZTNDNQETAX-ZDUSSCGKSA-N 0 3 288.366 3.303 20 30 CGEDHN Cc1cc2cc(CNC3CCN(CC#N)CC3)oc2cc1C ZINC000610517190 348387376 /nfs/dbraw/zinc/38/73/76/348387376.db2.gz ICJGVPAOBLLFAW-UHFFFAOYSA-N 0 3 297.402 3.127 20 30 CGEDHN CC(C)[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000610991820 348414373 /nfs/dbraw/zinc/41/43/73/348414373.db2.gz PYAYAXCPJHJLNF-QGZVFWFLSA-N 0 3 265.360 3.440 20 30 CGEDHN COc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1C#N ZINC000610992824 348415018 /nfs/dbraw/zinc/41/50/18/348415018.db2.gz MLTOXGLRFSKKGK-CQSZACIVSA-N 0 3 282.343 3.149 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2c1cc(F)cc2F ZINC000611335500 348438982 /nfs/dbraw/zinc/43/89/82/348438982.db2.gz QDQOYXFLYSTBLO-CQSZACIVSA-N 0 3 269.360 3.461 20 30 CGEDHN COCC1(N(C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000611178462 348426330 /nfs/dbraw/zinc/42/63/30/348426330.db2.gz BOTLITAPIICDEA-UHFFFAOYSA-N 0 3 272.392 3.099 20 30 CGEDHN CCOc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611377269 348442965 /nfs/dbraw/zinc/44/29/65/348442965.db2.gz CZDMVLTZARRGJS-CYBMUJFWSA-N 0 3 281.359 3.203 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1CO ZINC000611391522 348444734 /nfs/dbraw/zinc/44/47/34/348444734.db2.gz LTXINBKIUGCXJH-LJQANCHMSA-N 0 3 292.382 3.218 20 30 CGEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2CC2)ccn1 ZINC000611433364 348451732 /nfs/dbraw/zinc/45/17/32/348451732.db2.gz MXIKCTQWVXIILY-QGZVFWFLSA-N 0 3 263.344 3.194 20 30 CGEDHN C[C@H](NCCOCC1CCC1)c1ccc(C#N)c(F)c1 ZINC000613242614 348579345 /nfs/dbraw/zinc/57/93/45/348579345.db2.gz TURIIHQYTFNAEQ-LBPRGKRZSA-N 0 3 276.355 3.165 20 30 CGEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(N2CCCC2)n1 ZINC000613255887 348581351 /nfs/dbraw/zinc/58/13/51/348581351.db2.gz TWLAAXQVNVJJIT-WBVHZDCISA-N 0 3 298.434 3.162 20 30 CGEDHN CC(C)N1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613416898 348598999 /nfs/dbraw/zinc/59/89/99/348598999.db2.gz KSZIYUZLYDQJEB-CQSZACIVSA-N 0 3 286.423 3.145 20 30 CGEDHN CC[C@@H](Cc1ccc(OC)c(OC)c1)NCC(C)(C)C#N ZINC000613145974 348568690 /nfs/dbraw/zinc/56/86/90/348568690.db2.gz YKKJMRXBTIVDFM-AWEZNQCLSA-N 0 3 290.407 3.164 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000614179719 348656160 /nfs/dbraw/zinc/65/61/60/348656160.db2.gz KVIBZPUFPVVBNC-SFHVURJKSA-N 0 3 294.398 3.311 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CSCc3ccccc32)C1 ZINC000613666872 348626364 /nfs/dbraw/zinc/62/63/64/348626364.db2.gz SLGNBRLKWDAPKY-UXIGCNINSA-N 0 3 258.390 3.256 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000613666831 348626556 /nfs/dbraw/zinc/62/65/56/348626556.db2.gz BBFOTUQFMVQUSO-YDHLFZDLSA-N 0 3 258.365 3.428 20 30 CGEDHN C[C@H](N[C@H]1CCS[C@H]1C)c1ccc(C#N)cc1F ZINC000615136414 348716993 /nfs/dbraw/zinc/71/69/93/348716993.db2.gz WWFKURXNLDTKQC-BHDSKKPTSA-N 0 3 264.369 3.242 20 30 CGEDHN CC(C)(CC(F)(F)F)NCc1ccc(C#N)s1 ZINC000614822479 348695538 /nfs/dbraw/zinc/69/55/38/348695538.db2.gz TZZJAHXTAFJVLX-UHFFFAOYSA-N 0 3 262.300 3.440 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000617781937 349010858 /nfs/dbraw/zinc/01/08/58/349010858.db2.gz VVJXYKACEHLESC-DOTOQJQBSA-N 0 3 290.451 3.208 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(C#N)c1 ZINC000618570228 349108260 /nfs/dbraw/zinc/10/82/60/349108260.db2.gz XCHCTYBITBGNJJ-NOLJZWGESA-N 0 3 253.349 3.291 20 30 CGEDHN Cc1cc(CN[C@@H]2CN(C)Cc3ccccc32)ccc1C#N ZINC000618195231 349061136 /nfs/dbraw/zinc/06/11/36/349061136.db2.gz RSQGCZFVMIGWBK-LJQANCHMSA-N 0 3 291.398 3.143 20 30 CGEDHN COc1ccc(C)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000618571369 349108716 /nfs/dbraw/zinc/10/87/16/349108716.db2.gz FOAJVYGLLVSQRE-DZGCQCFKSA-N 0 3 258.365 3.176 20 30 CGEDHN COc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741786 349151674 /nfs/dbraw/zinc/15/16/74/349151674.db2.gz IHAPYGQAJUGETK-SFHVURJKSA-N 0 3 278.355 3.344 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccsc1 ZINC000618741624 349151754 /nfs/dbraw/zinc/15/17/54/349151754.db2.gz HTRVWJYEZCYHFP-OAHLLOKOSA-N 0 3 254.358 3.397 20 30 CGEDHN C=CCC1(NC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC000619107714 349204698 /nfs/dbraw/zinc/20/46/98/349204698.db2.gz IGCVNWJANKSPFY-UHFFFAOYSA-N 0 3 286.419 3.367 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NC2(c3ccc(F)cc3)CCC2)C1 ZINC000619673453 349269611 /nfs/dbraw/zinc/26/96/11/349269611.db2.gz MBPMMHSNVBHFKL-IUODEOHRSA-N 0 3 258.340 3.487 20 30 CGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccsc1 ZINC000619782914 349285546 /nfs/dbraw/zinc/28/55/46/349285546.db2.gz BWRVZKTYWXVUCB-GFCCVEGCSA-N 0 3 272.373 3.349 20 30 CGEDHN C=CCCCN(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624547314 350063605 /nfs/dbraw/zinc/06/36/05/350063605.db2.gz ZYBNJOJEWZPLOO-INIZCTEOSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000625703058 350200012 /nfs/dbraw/zinc/20/00/12/350200012.db2.gz KQAASUJLXPNHKG-OAHLLOKOSA-N 0 3 267.376 3.270 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cncn2Cc2ccccc2)C1 ZINC000625704472 350200955 /nfs/dbraw/zinc/20/09/55/350200955.db2.gz YFNSCLBPSFFIMT-MRXNPFEDSA-N 0 3 281.403 3.329 20 30 CGEDHN C=CCC1(NCc2ncnn2C(C)C)CCCCC1 ZINC000625934320 350233349 /nfs/dbraw/zinc/23/33/49/350233349.db2.gz JOSDDOYUSLARQL-UHFFFAOYSA-N 0 3 262.401 3.228 20 30 CGEDHN CCCN(Cc1cccn1C)Cc1ccc(C#N)cc1 ZINC000119277467 370662013 /nfs/dbraw/zinc/66/20/13/370662013.db2.gz MAUKWTNCSFMNPH-UHFFFAOYSA-N 0 3 267.376 3.309 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(OC3CCCCC3)CC2)C1 ZINC000336595705 283058965 /nfs/dbraw/zinc/05/89/65/283058965.db2.gz GRDKYBXEVKBPSE-CABCVRRESA-N 0 3 276.424 3.492 20 30 CGEDHN Cc1cnc([C@H](C)CNCc2ccc(C#N)cc2F)s1 ZINC000273524572 192187636 /nfs/dbraw/zinc/18/76/36/192187636.db2.gz TWJBHXYUCCFNEU-SNVBAGLBSA-N 0 3 289.379 3.356 20 30 CGEDHN Cc1ccncc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000128491092 138394066 /nfs/dbraw/zinc/39/40/66/138394066.db2.gz YOJLQRZVUKIUEY-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN Cc1ccncc1CN[C@H](C)c1cccc(C#N)c1 ZINC000128491316 138394121 /nfs/dbraw/zinc/39/41/21/138394121.db2.gz YOJLQRZVUKIUEY-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN COCC(C)(C)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000426419059 236294390 /nfs/dbraw/zinc/29/43/90/236294390.db2.gz JGYWKPFJZXDIFL-UHFFFAOYSA-N 0 3 284.403 3.320 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000341663113 216056061 /nfs/dbraw/zinc/05/60/61/216056061.db2.gz WNSZCVOZSBRDMB-UHFFFAOYSA-N 0 3 272.392 3.336 20 30 CGEDHN CCC[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000297445958 200192831 /nfs/dbraw/zinc/19/28/31/200192831.db2.gz WOOCANVLESMMKZ-RISCZKNCSA-N 0 3 264.344 3.163 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cc(C)cc(Cl)c2)CC1 ZINC000178232907 189099496 /nfs/dbraw/zinc/09/94/96/189099496.db2.gz CAWCLBJMFBAARO-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN C[C@@H](NCCc1ccco1)c1ccc(C#N)cc1F ZINC000119614199 370691944 /nfs/dbraw/zinc/69/19/44/370691944.db2.gz GPSUUXDKBLEJKV-LLVKDONJSA-N 0 3 258.296 3.184 20 30 CGEDHN CC(C)CO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000119566311 370687612 /nfs/dbraw/zinc/68/76/12/370687612.db2.gz NPJFYQOXBYKZOY-WMLDXEAASA-N 0 3 272.392 3.366 20 30 CGEDHN C[C@H](NCCOc1ccccc1C#N)c1cccs1 ZINC000182551535 189327125 /nfs/dbraw/zinc/32/71/25/189327125.db2.gz GJCOVLIGHDVFPT-LBPRGKRZSA-N 0 3 272.373 3.349 20 30 CGEDHN Cn1cc([C@H](NCc2ccc(C#N)cc2)C(C)(C)C)cn1 ZINC000342350078 216320948 /nfs/dbraw/zinc/32/09/48/216320948.db2.gz ZHOKGEXSQRVXHJ-INIZCTEOSA-N 0 3 282.391 3.169 20 30 CGEDHN CC[C@H](C)[C@@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000183057374 189344497 /nfs/dbraw/zinc/34/44/97/189344497.db2.gz XUDZYCVEDGFSHD-NWDGAFQWSA-N 0 3 284.363 3.132 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC1CCN(C(C)(C)C)CC1 ZINC000302115976 201346958 /nfs/dbraw/zinc/34/69/58/201346958.db2.gz RNGXNGLTTFVIAF-UHFFFAOYSA-N 0 3 299.418 3.436 20 30 CGEDHN CCN(Cc1cn2ccccc2c1C#N)CC(C)C ZINC000120097854 370738096 /nfs/dbraw/zinc/73/80/96/370738096.db2.gz GAZGNDWNSVDTBE-UHFFFAOYSA-N 0 3 255.365 3.289 20 30 CGEDHN C=CCC[C@@H](O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000121344909 370852912 /nfs/dbraw/zinc/85/29/12/370852912.db2.gz HLWUYVSCEXSKPQ-CABCVRRESA-N 0 3 295.448 3.056 20 30 CGEDHN N#Cc1cccc(OCCN2CC[C@@H]2Cc2ccccc2)c1 ZINC000479100415 243092773 /nfs/dbraw/zinc/09/27/73/243092773.db2.gz LOWADNCCADIHRE-GOSISDBHSA-N 0 3 292.382 3.254 20 30 CGEDHN CC(C)(C)[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000483239805 243267410 /nfs/dbraw/zinc/26/74/10/243267410.db2.gz QDHDGQCBDMYICK-HNNXBMFYSA-N 0 3 299.418 3.255 20 30 CGEDHN CCCC[C@H](CCC)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000482653513 243236184 /nfs/dbraw/zinc/23/61/84/243236184.db2.gz CTUDMBNLAAIQFU-JKSUJKDBSA-N 0 3 287.407 3.033 20 30 CGEDHN C#CCCCCNCc1nc2cc(Cl)ccc2n1C ZINC000124754010 370927662 /nfs/dbraw/zinc/92/76/62/370927662.db2.gz MNBCGSINPDLBKA-UHFFFAOYSA-N 0 3 275.783 3.120 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000037508440 369087175 /nfs/dbraw/zinc/08/71/75/369087175.db2.gz DDUYINJVXFOMKF-ZDUSSCGKSA-N 0 3 261.328 3.281 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000037508336 369087779 /nfs/dbraw/zinc/08/77/79/369087779.db2.gz IXMXKNNGBWMZMA-LBPRGKRZSA-N 0 3 280.327 3.138 20 30 CGEDHN Cc1ccc(CNCc2cccc(C#N)c2)cc1C ZINC000037748923 369104910 /nfs/dbraw/zinc/10/49/10/369104910.db2.gz KTFMXHGFASIEHC-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN C[C@H](C1CC1)N(Cc1ccc(C#N)cc1F)C1CC1 ZINC000042123504 369201633 /nfs/dbraw/zinc/20/16/33/369201633.db2.gz QIGBERLZKSQZKM-LLVKDONJSA-N 0 3 258.340 3.460 20 30 CGEDHN C=CCOc1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000042364586 369217649 /nfs/dbraw/zinc/21/76/49/369217649.db2.gz WHISECVYGOZLLI-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@@H](NCCCC#N)c1ccc(Br)cc1 ZINC000042224683 369205301 /nfs/dbraw/zinc/20/53/01/369205301.db2.gz AYIXTXBRWRNAGU-SNVBAGLBSA-N 0 3 267.170 3.403 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccsc1)C(C)C ZINC000046049275 369288874 /nfs/dbraw/zinc/28/88/74/369288874.db2.gz RKWUIWOBSKKFAG-HNNXBMFYSA-N 0 3 292.448 3.177 20 30 CGEDHN N#Cc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000048040619 369335027 /nfs/dbraw/zinc/33/50/27/369335027.db2.gz TZDBMEYJXHSDMF-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN C=CCCN(C)Cc1cn(C)nc1-c1ccccc1 ZINC000276174272 193233768 /nfs/dbraw/zinc/23/37/68/193233768.db2.gz TTZOPXOFVLEWLW-UHFFFAOYSA-N 0 3 255.365 3.095 20 30 CGEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386550 369516585 /nfs/dbraw/zinc/51/65/85/369516585.db2.gz QGHSUZUQWUMEQS-BBRMVZONSA-N 0 3 285.391 3.007 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000057127188 369530862 /nfs/dbraw/zinc/53/08/62/369530862.db2.gz VBHVURXQHFOKOK-UHFFFAOYSA-N 0 3 292.382 3.124 20 30 CGEDHN CN(C)[C@@H](CNc1cccc(F)c1C#N)c1ccccc1 ZINC000060991563 369594585 /nfs/dbraw/zinc/59/45/85/369594585.db2.gz VSKMELAKMFOHAR-KRWDZBQOSA-N 0 3 283.350 3.412 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000076735300 369941449 /nfs/dbraw/zinc/94/14/49/369941449.db2.gz YEBNNNCJYJNTMJ-ZDUSSCGKSA-N 0 3 294.826 3.243 20 30 CGEDHN C=CCCOCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000090883861 370069947 /nfs/dbraw/zinc/06/99/47/370069947.db2.gz GGSPLRKMHOIIIZ-HNNXBMFYSA-N 0 3 279.355 3.222 20 30 CGEDHN C[C@@H]1C[C@H](C)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000091893218 370078385 /nfs/dbraw/zinc/07/83/85/370078385.db2.gz KDJISSJKLNAYLH-ZIAGYGMSSA-N 0 3 282.391 3.074 20 30 CGEDHN C=CCN(Cc1cnc2cnccn12)CC1CCCCC1 ZINC000093382939 370119945 /nfs/dbraw/zinc/11/99/45/370119945.db2.gz FVBAUIZRLCUTGI-UHFFFAOYSA-N 0 3 284.407 3.298 20 30 CGEDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000093593229 370144386 /nfs/dbraw/zinc/14/43/86/370144386.db2.gz NHEKDYHHYKYDAG-CYBMUJFWSA-N 0 3 282.343 3.149 20 30 CGEDHN C=CCSCCNCc1ccc(OC(C)C)cc1 ZINC000105462388 370349687 /nfs/dbraw/zinc/34/96/87/370349687.db2.gz FLQWHMUESMCLCX-UHFFFAOYSA-N 0 3 265.422 3.483 20 30 CGEDHN Cc1cc(CN[C@H]2CCC[C@@H]2OC(F)F)ccc1C#N ZINC000337299784 376201731 /nfs/dbraw/zinc/20/17/31/376201731.db2.gz PHOFQAHRBFDVGC-KBPBESRZSA-N 0 3 280.318 3.117 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000130061578 371010494 /nfs/dbraw/zinc/01/04/94/371010494.db2.gz HSLPHBWXSOCJTM-XJKSGUPXSA-N 0 3 292.448 3.213 20 30 CGEDHN COc1ccc(C#N)cc1CN1[C@H](C)CCC[C@H]1C ZINC000130392658 371029807 /nfs/dbraw/zinc/02/98/07/371029807.db2.gz GCCDMJBVRKOHMF-CHWSQXEVSA-N 0 3 258.365 3.330 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCCC[C@H]1C ZINC000130471194 371036499 /nfs/dbraw/zinc/03/64/99/371036499.db2.gz FSIAFFZNFWMHDU-CYBMUJFWSA-N 0 3 258.365 3.331 20 30 CGEDHN CC(C)(CCC#N)CNCc1cc(F)ccc1F ZINC000135178156 371398254 /nfs/dbraw/zinc/39/82/54/371398254.db2.gz QLBYIMMOOLJYLW-UHFFFAOYSA-N 0 3 252.308 3.384 20 30 CGEDHN COc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000135688477 371444609 /nfs/dbraw/zinc/44/46/09/371444609.db2.gz MCQNVDMLKWIKIL-NSHDSACASA-N 0 3 272.373 3.479 20 30 CGEDHN C#C[C@@H](NCc1c(C)nn(C(C)(C)C)c1C)C(C)C ZINC000289350233 371755399 /nfs/dbraw/zinc/75/53/99/371755399.db2.gz JAPLGVFVLDIPRP-OAHLLOKOSA-N 0 3 261.413 3.002 20 30 CGEDHN Cc1ccc(NC(=O)C(C#N)c2nc(C)c(C)s2)s1 ZINC000155662211 371937832 /nfs/dbraw/zinc/93/78/32/371937832.db2.gz CLMXZMAHHZMTLM-SNVBAGLBSA-N 0 3 291.401 3.376 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cc2F)C[C@@H]1OC ZINC000344116233 217056352 /nfs/dbraw/zinc/05/63/52/217056352.db2.gz NJESKROTPBUWQY-CVEARBPZSA-N 0 3 290.382 3.381 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](C3CC3)C2)c1F ZINC000344134814 217065976 /nfs/dbraw/zinc/06/59/76/217065976.db2.gz ZPTRLSXZWZEWFD-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCN(CCC(=O)OC(C)C)Cc1ccccc1 ZINC000157620816 372029257 /nfs/dbraw/zinc/02/92/57/372029257.db2.gz PMMPVJBAPUROJP-UHFFFAOYSA-N 0 3 261.365 3.016 20 30 CGEDHN C=CCC[C@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158552825 372073343 /nfs/dbraw/zinc/07/33/43/372073343.db2.gz VNYCCCNQOMXEIU-LSDHHAIUSA-N 0 3 295.448 3.102 20 30 CGEDHN C=CCOCCNC(C)(C)c1cc(Cl)ccc1OC ZINC000425508225 372129786 /nfs/dbraw/zinc/12/97/86/372129786.db2.gz GMISMPZFFSHRQK-UHFFFAOYSA-N 0 3 283.799 3.376 20 30 CGEDHN C=CCN(C)Cc1ccc(C)c(Br)c1 ZINC000428385911 372187637 /nfs/dbraw/zinc/18/76/37/372187637.db2.gz CBCPXBKZSAGMJW-UHFFFAOYSA-N 0 3 254.171 3.375 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000429295791 372346158 /nfs/dbraw/zinc/34/61/58/372346158.db2.gz RBMHSYQLLZIXER-JKSUJKDBSA-N 0 3 290.382 3.381 20 30 CGEDHN CCC1(CC)[C@H](NCC#Cc2ccccc2)C[C@H]1OC ZINC000429298688 372346373 /nfs/dbraw/zinc/34/63/73/372346373.db2.gz FPOVFVNPDZJZNU-IAGOWNOFSA-N 0 3 271.404 3.221 20 30 CGEDHN CCOc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000429724280 372377097 /nfs/dbraw/zinc/37/70/97/372377097.db2.gz WNFRDMJWWRQURN-CABCVRRESA-N 0 3 258.365 3.209 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H]1CCc2ccc(F)cc21 ZINC000429719437 372377657 /nfs/dbraw/zinc/37/76/57/372377657.db2.gz CARDESQCJIZNGV-QGZVFWFLSA-N 0 3 276.399 3.253 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(C#N)c(F)c1 ZINC000430752784 372396088 /nfs/dbraw/zinc/39/60/88/372396088.db2.gz HWSNUCOZNWCAKZ-LLVKDONJSA-N 0 3 257.312 3.042 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000293362315 372365603 /nfs/dbraw/zinc/36/56/03/372365603.db2.gz BWXLNCMPDROXQT-HOCLYGCPSA-N 0 3 288.435 3.396 20 30 CGEDHN CC[C@@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433344427 372595947 /nfs/dbraw/zinc/59/59/47/372595947.db2.gz RTUHUEZPVLCKFL-GDBMZVCRSA-N 0 3 272.392 3.263 20 30 CGEDHN C[C@@H](NCc1cc(C#N)cs1)[C@@H]1COc2ccccc21 ZINC000169107955 372625116 /nfs/dbraw/zinc/62/51/16/372625116.db2.gz ZIMQRSFCRJJMAR-ABAIWWIYSA-N 0 3 284.384 3.274 20 30 CGEDHN CC(C#N)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000434588906 372693122 /nfs/dbraw/zinc/69/31/22/372693122.db2.gz WGRLJAXDGIBOKQ-NSHDSACASA-N 0 3 292.329 3.396 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccnc3nc(C)ccc23)CC1 ZINC000435490711 372771290 /nfs/dbraw/zinc/77/12/90/372771290.db2.gz PXYHQJZOYJYGCP-UHFFFAOYSA-N 0 3 296.418 3.391 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437398576 372847169 /nfs/dbraw/zinc/84/71/69/372847169.db2.gz YCKMOSOEILIHBO-GAFUQQFSSA-N 0 3 296.292 3.227 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437473449 372848593 /nfs/dbraw/zinc/84/85/93/372848593.db2.gz OWXFVLHPLDFFJQ-GAFUQQFSSA-N 0 3 296.292 3.227 20 30 CGEDHN C=CCCCN(C)Cc1cc(F)cc2c1OCOC2 ZINC000172175887 372918076 /nfs/dbraw/zinc/91/80/76/372918076.db2.gz AWPREDZLMJAFIU-UHFFFAOYSA-N 0 3 265.328 3.090 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](O)CC(C)(C)C1 ZINC000296080251 373017301 /nfs/dbraw/zinc/01/73/01/373017301.db2.gz PFXKSPSWXIZGMY-CJNGLKHVSA-N 0 3 272.392 3.102 20 30 CGEDHN CSc1ccc(F)cc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442789268 373081926 /nfs/dbraw/zinc/08/19/26/373081926.db2.gz JUSWQZNSJIKEFT-GWCFXTLKSA-N 0 3 264.369 3.329 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCOc2ccccc2Cl)C1 ZINC000442828269 373098582 /nfs/dbraw/zinc/09/85/82/373098582.db2.gz QZIMVZUTNFGJTR-NWDGAFQWSA-N 0 3 264.756 3.001 20 30 CGEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000442829036 373099575 /nfs/dbraw/zinc/09/95/75/373099575.db2.gz OGDOTDYITCOSBS-VZAMPYOESA-N 0 3 276.355 3.184 20 30 CGEDHN C[C@@H]1Cc2ccccc2CN1CCCSCC#N ZINC000173899608 373214523 /nfs/dbraw/zinc/21/45/23/373214523.db2.gz REGSUBUNELQNJB-CYBMUJFWSA-N 0 3 260.406 3.080 20 30 CGEDHN C=CC[C@H]1N(C(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1(C)C ZINC000444641489 373219633 /nfs/dbraw/zinc/21/96/33/373219633.db2.gz VDMUWVJEBCTJAP-OWCLPIDISA-N 0 3 292.467 3.453 20 30 CGEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000444778800 373272533 /nfs/dbraw/zinc/27/25/33/373272533.db2.gz WMELFVHEYYCFBD-INIZCTEOSA-N 0 3 292.810 3.339 20 30 CGEDHN C[C@H](NC[C@@](C)(O)c1ccccc1)c1cccc(C#N)c1 ZINC000174358386 373300018 /nfs/dbraw/zinc/30/00/18/373300018.db2.gz ALLCUPJHGHCLBB-KBXCAEBGSA-N 0 3 280.371 3.117 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC2(CCCC2)C1 ZINC000445856069 373316427 /nfs/dbraw/zinc/31/64/27/373316427.db2.gz BWMNKNVPAOJEAH-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCC1(C(F)(F)F)CC1)CC2 ZINC000353592686 220179356 /nfs/dbraw/zinc/17/93/56/220179356.db2.gz BHRPMISBANWBEI-CYBMUJFWSA-N 0 3 280.293 3.478 20 30 CGEDHN CN(Cc1cc(C(C)(C)C)n[nH]1)CC(C)(C)CCC#N ZINC000447066279 373398595 /nfs/dbraw/zinc/39/85/95/373398595.db2.gz JOMATUTXIOJZCV-UHFFFAOYSA-N 0 3 276.428 3.469 20 30 CGEDHN CC[C@H](NCc1ccn(C)c1)c1ccc(C#N)cc1 ZINC000447579655 373455075 /nfs/dbraw/zinc/45/50/75/373455075.db2.gz LCNKWRCEARUSQU-INIZCTEOSA-N 0 3 253.349 3.138 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H](O)Cc1ccccc1 ZINC000299375336 373522501 /nfs/dbraw/zinc/52/25/01/373522501.db2.gz LZNHXTWBJSMCBS-HNAYVOBHSA-N 0 3 294.398 3.155 20 30 CGEDHN C=CCN1CCC(NC(=O)c2c(C)cccc2Cl)CC1 ZINC000448921822 373649536 /nfs/dbraw/zinc/64/95/36/373649536.db2.gz OSIDFDLPNNQQEV-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN C[C@H](CNc1snc(Cl)c1C#N)N1CCC[C@H](C)C1 ZINC000301119618 373667744 /nfs/dbraw/zinc/66/77/44/373667744.db2.gz RUOADDLVLZVATO-VHSXEESVSA-N 0 3 298.843 3.200 20 30 CGEDHN C[C@H](CNc1snc(Cl)c1C#N)N1CCC[C@@H](C)C1 ZINC000301119615 373667879 /nfs/dbraw/zinc/66/78/79/373667879.db2.gz RUOADDLVLZVATO-NXEZZACHSA-N 0 3 298.843 3.200 20 30 CGEDHN C[C@@H](CNCC(C)(C)C#N)c1cc(F)cc(F)c1 ZINC000449240997 373675197 /nfs/dbraw/zinc/67/51/97/373675197.db2.gz QKLHDUFIFFIUEN-JTQLQIEISA-N 0 3 252.308 3.208 20 30 CGEDHN C[C@@H](CNc1ccc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000301153022 373676809 /nfs/dbraw/zinc/67/68/09/373676809.db2.gz QAGPEQMXBPQPIP-OLZOCXBDSA-N 0 3 275.371 3.230 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cc(C3CC3)ccc2F)C1 ZINC000449373210 373684498 /nfs/dbraw/zinc/68/44/98/373684498.db2.gz PNSHIELTAMQZIJ-ABAIWWIYSA-N 0 3 258.340 3.485 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000449517028 373816014 /nfs/dbraw/zinc/81/60/14/373816014.db2.gz DJSNHBYFRVDMMK-SJORKVTESA-N 0 3 257.377 3.387 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)cc2cccnc21 ZINC000449523705 373821698 /nfs/dbraw/zinc/82/16/98/373821698.db2.gz YCWNBRLSYIAZIF-CABCVRRESA-N 0 3 288.778 3.321 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NC/C=C/c1ccc(F)cc1F ZINC000449549451 373830462 /nfs/dbraw/zinc/83/04/62/373830462.db2.gz YBYSUCQGLCUBBZ-CFSAUIFESA-N 0 3 279.330 3.301 20 30 CGEDHN CCn1ccnc1[C@@H](C)NC1CCC(C)(C#N)CC1 ZINC000449567727 373832425 /nfs/dbraw/zinc/83/24/25/373832425.db2.gz YDCWPEORQPSTTF-DNOWBOINSA-N 0 3 260.385 3.026 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1ccccc1)C(CC)CC ZINC000179789076 373917243 /nfs/dbraw/zinc/91/72/43/373917243.db2.gz UWIAYBNAYDPBMI-QGZVFWFLSA-N 0 3 274.408 3.056 20 30 CGEDHN N#CC1(CN2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000450225828 374008750 /nfs/dbraw/zinc/00/87/50/374008750.db2.gz HNOMDPBZNRBTTH-INIZCTEOSA-N 0 3 254.377 3.387 20 30 CGEDHN C=CCSCCN[C@@H](C)c1sc(C)nc1C ZINC000180455238 374010333 /nfs/dbraw/zinc/01/03/33/374010333.db2.gz ZXYSRNVYBFOYSD-VIFPVBQESA-N 0 3 256.440 3.330 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCCCC1 ZINC000450102227 373988731 /nfs/dbraw/zinc/98/87/31/373988731.db2.gz DTUNOYYDAHYMOP-GDBMZVCRSA-N 0 3 290.451 3.112 20 30 CGEDHN C#CCSCCN[C@@H](CC(C)C)c1ccccn1 ZINC000181098197 374079293 /nfs/dbraw/zinc/07/92/93/374079293.db2.gz JELWLCYFTCQAFC-HNNXBMFYSA-N 0 3 262.422 3.125 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181768292 374169034 /nfs/dbraw/zinc/16/90/34/374169034.db2.gz HHWLCWSPCXNCRD-HNNXBMFYSA-N 0 3 278.352 3.228 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C)[C@H]2C)CCCCC1 ZINC000450790523 374179512 /nfs/dbraw/zinc/17/95/12/374179512.db2.gz HJVBZJKLGYOLSU-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN CCCCN(CC#Cc1cccc(Cl)c1)CCCO ZINC000182136947 374225177 /nfs/dbraw/zinc/22/51/77/374225177.db2.gz SWVHHOGNPGBJDN-UHFFFAOYSA-N 0 3 279.811 3.176 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C(C)(C)C)C1 ZINC000317696651 374340055 /nfs/dbraw/zinc/34/00/55/374340055.db2.gz CQRFFOSHUXSJAI-DZGCQCFKSA-N 0 3 299.418 3.253 20 30 CGEDHN CN(C)CC1(NC(=O)c2coc(C3CCCC3)n2)CCC1 ZINC000328805141 374384529 /nfs/dbraw/zinc/38/45/29/374384529.db2.gz NDCWNIUFJDJNDT-UHFFFAOYSA-N 0 3 291.395 3.121 20 30 CGEDHN C[C@@H](NCC1(CF)CCOCC1)c1ccc(C#N)cc1F ZINC000453306727 374408757 /nfs/dbraw/zinc/40/87/57/374408757.db2.gz JAKIEXOYDJBIOP-GFCCVEGCSA-N 0 3 294.345 3.114 20 30 CGEDHN CC[C@@H]1CN(CCCCC#N)CCN1Cc1ccccc1 ZINC000183746563 374448657 /nfs/dbraw/zinc/44/86/57/374448657.db2.gz FHADCYKFYKOROU-GOSISDBHSA-N 0 3 285.435 3.277 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000331397197 374528771 /nfs/dbraw/zinc/52/87/71/374528771.db2.gz FXSUDZQQKREMEX-SWLSCSKDSA-N 0 3 270.376 3.366 20 30 CGEDHN CC[C@@H]1[C@H](C)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332157503 374556965 /nfs/dbraw/zinc/55/69/65/374556965.db2.gz UQCXJFKHZIPWOX-IUODEOHRSA-N 0 3 296.374 3.229 20 30 CGEDHN Cc1cnc([C@H](NCCCSCC#N)C2CC2)s1 ZINC000185276675 374627636 /nfs/dbraw/zinc/62/76/36/374627636.db2.gz CYBZGXQGCMKZTD-GFCCVEGCSA-N 0 3 281.450 3.139 20 30 CGEDHN CC[C@H]1[C@H](C)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185598392 374695159 /nfs/dbraw/zinc/69/51/59/374695159.db2.gz XUAQLYHHXNGUAY-DOMZBBRYSA-N 0 3 296.374 3.229 20 30 CGEDHN COc1cc(CN[C@H]2CCC[C@H](C#N)C2)c2ccccc2n1 ZINC000185845792 374751089 /nfs/dbraw/zinc/75/10/89/374751089.db2.gz ZJLMQPZSVUFITA-ZFWWWQNUSA-N 0 3 295.386 3.415 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccc3occ(C)c3c2)CC1 ZINC000185772667 374734183 /nfs/dbraw/zinc/73/41/83/374734183.db2.gz JECSJLLCTVMTNM-UHFFFAOYSA-N 0 3 296.370 3.025 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000185952561 374773345 /nfs/dbraw/zinc/77/33/45/374773345.db2.gz NTOODXMYYXNTDV-USXIJHARSA-N 0 3 286.419 3.150 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000186311894 374830248 /nfs/dbraw/zinc/83/02/48/374830248.db2.gz VODFGOYCPATNCC-SJORKVTESA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCOCCCN(C)CCOc1ccccc1Cl ZINC000470722309 374999122 /nfs/dbraw/zinc/99/91/22/374999122.db2.gz IJTMSKAOOGFXSJ-UHFFFAOYSA-N 0 3 283.799 3.243 20 30 CGEDHN CN(Cc1ccc(Cl)cc1C#N)CC1CCOCC1 ZINC000187387444 375014692 /nfs/dbraw/zinc/01/46/92/375014692.db2.gz RONUATOBHQAPSP-UHFFFAOYSA-N 0 3 278.783 3.070 20 30 CGEDHN CC(C)(C)[C@H](CCO)NCc1ccc(Cl)cc1C#N ZINC000187449378 375024293 /nfs/dbraw/zinc/02/42/93/375024293.db2.gz QKIXALRIQKSKLS-AWEZNQCLSA-N 0 3 280.799 3.098 20 30 CGEDHN C=CC[C@@H](CO)N[C@H]1CCSc2cc(C)c(C)cc21 ZINC000187545171 375038860 /nfs/dbraw/zinc/03/88/60/375038860.db2.gz XOGNPSROOCKHJI-ZFWWWQNUSA-N 0 3 277.433 3.367 20 30 CGEDHN CC[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCS1 ZINC000187695324 375075579 /nfs/dbraw/zinc/07/55/79/375075579.db2.gz RBMUPXOIKXKFRC-WFASDCNBSA-N 0 3 260.406 3.447 20 30 CGEDHN Cc1ncccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334936681 375046376 /nfs/dbraw/zinc/04/63/76/375046376.db2.gz SEGPGCQSIZUULP-SFHVURJKSA-N 0 3 277.371 3.429 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC23CCCCC3)CC1 ZINC000477123657 375143625 /nfs/dbraw/zinc/14/36/25/375143625.db2.gz CTBCFZAAAABXLT-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN CCCCC[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000486798486 375198059 /nfs/dbraw/zinc/19/80/59/375198059.db2.gz CPPFELQFEUHZQO-WBVHZDCISA-N 0 3 293.455 3.086 20 30 CGEDHN C=CCCCCCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000487916122 375284611 /nfs/dbraw/zinc/28/46/11/375284611.db2.gz PZQGPWKYPJCEOY-NEPJUHHUSA-N 0 3 265.319 3.120 20 30 CGEDHN Cc1cc(CN2CCC[C@H](OCC3CC3)C2)ccc1C#N ZINC000488079051 375305777 /nfs/dbraw/zinc/30/57/77/375305777.db2.gz KBYGDVWGSAYWKU-SFHVURJKSA-N 0 3 284.403 3.258 20 30 CGEDHN N#CCC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000335845489 375478667 /nfs/dbraw/zinc/47/86/67/375478667.db2.gz TVZBOYRARKFWAX-UHFFFAOYSA-N 0 3 268.360 3.088 20 30 CGEDHN C=C(C)COCCNCc1ccc2nc(C)sc2c1 ZINC000494180636 375484471 /nfs/dbraw/zinc/48/44/71/375484471.db2.gz WANNIGFDNZZCHP-UHFFFAOYSA-N 0 3 276.405 3.287 20 30 CGEDHN C=CCC[C@@H](O)CN(C)C/C(C)=C\c1ccccc1 ZINC000494232991 375486148 /nfs/dbraw/zinc/48/61/48/375486148.db2.gz FHDXKOYZCOFSKZ-MLRPBERTSA-N 0 3 259.393 3.349 20 30 CGEDHN C=C(CC)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000494282695 375487136 /nfs/dbraw/zinc/48/71/36/375487136.db2.gz PNRAELIFTFRDDM-GDBMZVCRSA-N 0 3 292.810 3.168 20 30 CGEDHN C=C(CC)CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494485578 375488755 /nfs/dbraw/zinc/48/87/55/375488755.db2.gz LWDUFPISPMMSKL-CQSZACIVSA-N 0 3 282.428 3.189 20 30 CGEDHN N#Cc1ccc(C2=CCN(C[C@H]3CCCCO3)CC2)cc1 ZINC000335970437 375581533 /nfs/dbraw/zinc/58/15/33/375581533.db2.gz FHARJLDAGRWQPG-GOSISDBHSA-N 0 3 282.387 3.216 20 30 CGEDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1F ZINC000191669691 375649081 /nfs/dbraw/zinc/64/90/81/375649081.db2.gz KNZVHAQUUHMYGQ-QGZVFWFLSA-N 0 3 290.382 3.070 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000121220870 542017239 /nfs/dbraw/zinc/01/72/39/542017239.db2.gz BLARJMUWMMOUGE-HNNXBMFYSA-N 0 3 297.402 3.354 20 30 CGEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000336078047 375667995 /nfs/dbraw/zinc/66/79/95/375667995.db2.gz XASDLPKEQFMNEW-SCLBCKFNSA-N 0 3 294.402 3.410 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000336159191 375735248 /nfs/dbraw/zinc/73/52/48/375735248.db2.gz OSECVPXRDKSUEA-HIFRSBDPSA-N 0 3 290.794 3.070 20 30 CGEDHN C=C1CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000336389927 375785746 /nfs/dbraw/zinc/78/57/46/375785746.db2.gz OUCRFNSZJXVESA-UHFFFAOYSA-N 0 3 259.378 3.086 20 30 CGEDHN C=C(C)CN(CCc1ccccc1)Cc1ccc(CO)o1 ZINC000512145172 375794044 /nfs/dbraw/zinc/79/40/44/375794044.db2.gz CMWGWFHIKXXPDZ-UHFFFAOYSA-N 0 3 285.387 3.393 20 30 CGEDHN C=C(C)CCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762334 375908441 /nfs/dbraw/zinc/90/84/41/375908441.db2.gz KWGAEUWKHJVWCX-UHFFFAOYSA-N 0 3 269.392 3.256 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000528763863 375909779 /nfs/dbraw/zinc/90/97/79/375909779.db2.gz NQBARFJSUMUSTG-IATRGZMQSA-N 0 3 277.795 3.093 20 30 CGEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)CC2CCC2)C1=O ZINC000337140955 376096602 /nfs/dbraw/zinc/09/66/02/376096602.db2.gz RPEQRCBZALEPCO-GOSISDBHSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CCN(Cc1ccccc1)C(=O)C1CCN(C2CC2)CC1 ZINC000195344815 376098390 /nfs/dbraw/zinc/09/83/90/376098390.db2.gz SBEBLMLAZHTYGP-UHFFFAOYSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CCC[C@H](CC)NCc1cc(S(C)(=O)=O)ccc1F ZINC000337494053 376224133 /nfs/dbraw/zinc/22/41/33/376224133.db2.gz XMPMYIBEGQAFCL-ZDUSSCGKSA-N 0 3 299.411 3.064 20 30 CGEDHN CC(C)C1CCC(N2CCN(CC3(C#N)CC3)CC2)CC1 ZINC000538348536 376234984 /nfs/dbraw/zinc/23/49/84/376234984.db2.gz VJOVHOVTOKHWDK-UHFFFAOYSA-N 0 3 289.467 3.123 20 30 CGEDHN COC[C@@H](Cc1ccccc1)N[C@@H](C)c1cccc(C#N)c1 ZINC000538395181 376238275 /nfs/dbraw/zinc/23/82/75/376238275.db2.gz FTEPLEOHOGMDLU-HNAYVOBHSA-N 0 3 294.398 3.467 20 30 CGEDHN CCC(CC)N(CCOC)Cc1cccc(C#N)c1F ZINC000223531140 376255432 /nfs/dbraw/zinc/25/54/32/376255432.db2.gz DIYLMYMQSDOQDS-UHFFFAOYSA-N 0 3 278.371 3.334 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C)[C@@H]2C)cc1C#N ZINC000227238436 376386950 /nfs/dbraw/zinc/38/69/50/376386950.db2.gz RUXDSQRWWLUTFH-OLZOCXBDSA-N 0 3 258.365 3.187 20 30 CGEDHN CCN(Cc1cc(C#N)ccc1OC)CC1CCC1 ZINC000230316686 376505455 /nfs/dbraw/zinc/50/54/55/376505455.db2.gz OFGARGQJWPPIOF-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2cn[nH]c21)c1ccc(C#N)cc1F ZINC000334308416 206345008 /nfs/dbraw/zinc/34/50/08/206345008.db2.gz DXDQTORAUQIYMI-MEBBXXQBSA-N 0 3 284.338 3.149 20 30 CGEDHN CCOC[C@H](NCc1ccc(C#N)cc1Cl)C(C)C ZINC000233778214 376602007 /nfs/dbraw/zinc/60/20/07/376602007.db2.gz KSNRWEWJRRAUFN-HNNXBMFYSA-N 0 3 280.799 3.362 20 30 CGEDHN COc1ccc(CN2C[C@H](C)CC(C)(C)C2)cc1C#N ZINC000543173170 376614691 /nfs/dbraw/zinc/61/46/91/376614691.db2.gz XKJDYRKYOBAGSO-CYBMUJFWSA-N 0 3 272.392 3.435 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCc3c(O)cccc32)C1 ZINC000339130606 376696137 /nfs/dbraw/zinc/69/61/37/376696137.db2.gz ZXQVBSYOWFGIHV-JMSVASOKSA-N 0 3 256.349 3.051 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000545421472 376821070 /nfs/dbraw/zinc/82/10/70/376821070.db2.gz ZTHGMQQERLXZHY-CYBMUJFWSA-N 0 3 272.392 3.435 20 30 CGEDHN CN1CCN(Cc2ccccc2C(C)(C)C#N)CC1(C)C ZINC000556088955 376859770 /nfs/dbraw/zinc/85/97/70/376859770.db2.gz PQLQZMGQMPBDAF-UHFFFAOYSA-N 0 3 285.435 3.014 20 30 CGEDHN N#CCC[C@H](C#N)CNCC1C2CC3CC(C2)CC1C3 ZINC000556667155 376868175 /nfs/dbraw/zinc/86/81/75/376868175.db2.gz JIXXSTHVDYBWNP-XXXXFFMBSA-N 0 3 271.408 3.092 20 30 CGEDHN C=CCC[C@H](O)CN1CCc2sccc2[C@H]1CC ZINC000245987978 376949826 /nfs/dbraw/zinc/94/98/26/376949826.db2.gz FQNLTCNOXGNFDZ-GXTWGEPZSA-N 0 3 265.422 3.384 20 30 CGEDHN CC[C@@H](NCCC(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000278155291 193846578 /nfs/dbraw/zinc/84/65/78/193846578.db2.gz ASMKRFMXTWLNLB-QGZVFWFLSA-N 0 3 299.418 3.002 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1cccc(F)c1C#N ZINC000341096514 377395471 /nfs/dbraw/zinc/39/54/71/377395471.db2.gz HHUIQGMSABTITL-CHWSQXEVSA-N 0 3 275.371 3.372 20 30 CGEDHN Cc1cc(C)c(C#N)c(NCCN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000341113403 377403173 /nfs/dbraw/zinc/40/31/73/377403173.db2.gz YUUBQMQWSGBZOJ-GJZGRUSLSA-N 0 3 286.423 3.245 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCS[C@H](C)CC1 ZINC000249112854 377466175 /nfs/dbraw/zinc/46/61/75/377466175.db2.gz WAERLXNZCXFCJG-CHWSQXEVSA-N 0 3 260.406 3.447 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000249129234 377467678 /nfs/dbraw/zinc/46/76/78/377467678.db2.gz KOHSJNJWRUVOQN-KSSFIOAISA-N 0 3 294.402 3.146 20 30 CGEDHN C=CCCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000567401696 377507602 /nfs/dbraw/zinc/50/76/02/377507602.db2.gz UHJWAKOREGGHQO-UHFFFAOYSA-N 0 3 272.392 3.082 20 30 CGEDHN CCOC[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249262638 377482571 /nfs/dbraw/zinc/48/25/71/377482571.db2.gz HZZKECYEMZANQL-ZBFHGGJFSA-N 0 3 272.392 3.368 20 30 CGEDHN C=C1CCN(CC/C=C/c2cncc(OC)c2)CC1 ZINC000565305055 377485031 /nfs/dbraw/zinc/48/50/31/377485031.db2.gz USESRVUXOAFJQG-HWKANZROSA-N 0 3 258.365 3.146 20 30 CGEDHN C=CCCCCN[C@@H](CO)c1cccc(Cl)c1F ZINC000565873864 377490725 /nfs/dbraw/zinc/49/07/25/377490725.db2.gz FIRRNNPVJMCTMD-ZDUSSCGKSA-N 0 3 271.763 3.458 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(-c2ccccc2F)o1 ZINC000341293348 377491990 /nfs/dbraw/zinc/49/19/90/377491990.db2.gz PFVLOWWFFJJGPN-ZDUSSCGKSA-N 0 3 289.350 3.360 20 30 CGEDHN C=CC[C@@H](CC)NCc1cc(OC)c(OC)cc1F ZINC000568034006 377512907 /nfs/dbraw/zinc/51/29/07/377512907.db2.gz FBWOIVUOTANJDL-GFCCVEGCSA-N 0 3 267.344 3.287 20 30 CGEDHN CO[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000361744544 249115053 /nfs/dbraw/zinc/11/50/53/249115053.db2.gz GEZGEPKWIWIDEG-CABCVRRESA-N 0 3 278.783 3.259 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1c[nH]nc1C)C(C)C ZINC000180091436 542205551 /nfs/dbraw/zinc/20/55/51/542205551.db2.gz HDJKXIVPIJOPPX-PBHICJAKSA-N 0 3 290.455 3.067 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCCOC1 ZINC000342616526 377691531 /nfs/dbraw/zinc/69/15/31/377691531.db2.gz NBKZVOIIQLUYDU-AWEZNQCLSA-N 0 3 263.356 3.240 20 30 CGEDHN COCC[C@@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000342702743 377744709 /nfs/dbraw/zinc/74/47/09/377744709.db2.gz PAFXSCAWCJQBEF-AWEZNQCLSA-N 0 3 290.382 3.336 20 30 CGEDHN CN(CCCSCC#N)Cc1ccc(Cl)s1 ZINC000266716617 378025940 /nfs/dbraw/zinc/02/59/40/378025940.db2.gz IRROMAXBSCJCIH-UHFFFAOYSA-N 0 3 274.842 3.480 20 30 CGEDHN C[C@@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579114888 378131343 /nfs/dbraw/zinc/13/13/43/378131343.db2.gz GZBCOQOPCGKFMV-IUODEOHRSA-N 0 3 287.363 3.477 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000343928389 378136002 /nfs/dbraw/zinc/13/60/02/378136002.db2.gz BMNRYWYKPJAJOF-LSDHHAIUSA-N 0 3 278.440 3.134 20 30 CGEDHN N#CCc1ccc(CN[C@H](CCCO)c2ccccc2)cc1 ZINC000343818510 378102098 /nfs/dbraw/zinc/10/20/98/378102098.db2.gz MYEQPMICWBGFSA-LJQANCHMSA-N 0 3 294.398 3.356 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)COC2 ZINC000268779447 378108805 /nfs/dbraw/zinc/10/88/05/378108805.db2.gz SPCLZKMYLCSXMX-CYBMUJFWSA-N 0 3 278.355 3.439 20 30 CGEDHN CC(C)(C)C1=CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000270369237 378341547 /nfs/dbraw/zinc/34/15/47/378341547.db2.gz MKQLSONCJYKQSI-QGZVFWFLSA-N 0 3 284.403 3.270 20 30 CGEDHN C#CCCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000270564326 378369799 /nfs/dbraw/zinc/36/97/99/378369799.db2.gz YPFJPMUONUYXOM-CQSZACIVSA-N 0 3 299.349 3.078 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000345790875 378370537 /nfs/dbraw/zinc/37/05/37/378370537.db2.gz HAKITIJJPIDTTL-WDEREUQCSA-N 0 3 285.372 3.147 20 30 CGEDHN C[C@@H](C[C@H](O)c1ccccc1)NCc1ccc(C#N)cc1F ZINC000270672375 378385618 /nfs/dbraw/zinc/38/56/18/378385618.db2.gz QQGUSDRLQCCIPP-UGSOOPFHSA-N 0 3 298.361 3.299 20 30 CGEDHN CC(C)(C)[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000270675001 378386226 /nfs/dbraw/zinc/38/62/26/378386226.db2.gz RIAKZLJRXNCTJT-GOEBONIOSA-N 0 3 290.382 3.381 20 30 CGEDHN C#CCOc1ccccc1CN1CCCC2(CCOCC2)C1 ZINC000271157769 378464922 /nfs/dbraw/zinc/46/49/22/378464922.db2.gz CAVPLWALADWYFB-UHFFFAOYSA-N 0 3 299.414 3.091 20 30 CGEDHN C#CCCCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000271046225 378436868 /nfs/dbraw/zinc/43/68/68/378436868.db2.gz OESJKYLQIOIJNI-INIZCTEOSA-N 0 3 267.376 3.124 20 30 CGEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000271455354 378493950 /nfs/dbraw/zinc/49/39/50/378493950.db2.gz DJDKCDIGHYRSDV-HZPDHXFCSA-N 0 3 299.418 3.196 20 30 CGEDHN CC[C@H](CSC)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271912002 378514643 /nfs/dbraw/zinc/51/46/43/378514643.db2.gz BGPKSXXJGMCQFD-ZWNOBZJWSA-N 0 3 266.385 3.490 20 30 CGEDHN CC[C@H](CSC)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271911999 378515608 /nfs/dbraw/zinc/51/56/08/378515608.db2.gz BGPKSXXJGMCQFD-GXFFZTMASA-N 0 3 266.385 3.490 20 30 CGEDHN Cc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271964602 378531688 /nfs/dbraw/zinc/53/16/88/378531688.db2.gz SEYSPYRHHWYVRP-SCLBCKFNSA-N 0 3 298.361 3.390 20 30 CGEDHN CC(C)C[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000271981492 378536265 /nfs/dbraw/zinc/53/62/65/378536265.db2.gz JXZRDJQDYUFSOA-HZPDHXFCSA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000272571063 378667349 /nfs/dbraw/zinc/66/73/49/378667349.db2.gz PAWZIVFVJFOKKG-AWEZNQCLSA-N 0 3 263.381 3.327 20 30 CGEDHN C=CCS(=O)(=O)CCN[C@@H](CCCC)c1ccccc1 ZINC000272864266 378713973 /nfs/dbraw/zinc/71/39/73/378713973.db2.gz NLQMVZGKALIFEF-INIZCTEOSA-N 0 3 295.448 3.108 20 30 CGEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)cc(C)c1O ZINC000348088514 378786297 /nfs/dbraw/zinc/78/62/97/378786297.db2.gz SBGXHODQCBPSFU-UHFFFAOYSA-N 0 3 296.370 3.049 20 30 CGEDHN C=CCN(CCOC)Cc1cccc(C(F)F)c1 ZINC000348164839 378819574 /nfs/dbraw/zinc/81/95/74/378819574.db2.gz CDWIIEXTCFCDPF-UHFFFAOYSA-N 0 3 255.308 3.259 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000274977756 378924295 /nfs/dbraw/zinc/92/42/95/378924295.db2.gz BBFRFKOWZQIPCI-CZUORRHYSA-N 0 3 280.375 3.222 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000348465681 378959099 /nfs/dbraw/zinc/95/90/99/378959099.db2.gz DPVBDNSLDHPQEM-LSDHHAIUSA-N 0 3 278.396 3.461 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](c3ccco3)C2)ccc1F ZINC000370433883 379019072 /nfs/dbraw/zinc/01/90/72/379019072.db2.gz PXMHSIMQKHHJTE-CYBMUJFWSA-N 0 3 270.307 3.280 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1C ZINC000276967976 379033296 /nfs/dbraw/zinc/03/32/96/379033296.db2.gz OJYWYHATQDLLCY-CQSZACIVSA-N 0 3 267.376 3.364 20 30 CGEDHN CCCN(CCN1CCCCC1)Cc1cc(C#N)cs1 ZINC000348883599 379097678 /nfs/dbraw/zinc/09/76/78/379097678.db2.gz ZMZKHPXVEYXGIE-UHFFFAOYSA-N 0 3 291.464 3.318 20 30 CGEDHN CCN(CCN1CCCCCC1)Cc1cc(C#N)cs1 ZINC000349008457 379134721 /nfs/dbraw/zinc/13/47/21/379134721.db2.gz OTJUOKRZWQUILA-UHFFFAOYSA-N 0 3 291.464 3.318 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000347451289 218240241 /nfs/dbraw/zinc/24/02/41/218240241.db2.gz QCXCJGUNSDFYNU-ZIAGYGMSSA-N 0 3 299.418 3.436 20 30 CGEDHN N#Cc1csc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000349148182 379172205 /nfs/dbraw/zinc/17/22/05/379172205.db2.gz JCPDMCKROVLGPY-ARFHVFGLSA-N 0 3 266.369 3.048 20 30 CGEDHN CO[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000371736482 379174475 /nfs/dbraw/zinc/17/44/75/379174475.db2.gz XHSVNACVVRYIIH-INIZCTEOSA-N 0 3 277.795 3.192 20 30 CGEDHN CC(C)[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266507378 190261958 /nfs/dbraw/zinc/26/19/58/190261958.db2.gz CIKJZVMUZTUNPD-OAHLLOKOSA-N 0 3 296.374 3.229 20 30 CGEDHN C=CCCCCCN1CCC(c2noc(C)n2)CC1 ZINC000373229068 379245200 /nfs/dbraw/zinc/24/52/00/379245200.db2.gz NRARVGVIALHHDH-UHFFFAOYSA-N 0 3 263.385 3.304 20 30 CGEDHN C=CCC[C@@H](C)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279398662 379426875 /nfs/dbraw/zinc/42/68/75/379426875.db2.gz CSKOWVSUHILPIF-CHWSQXEVSA-N 0 3 285.395 3.180 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000375860064 379514538 /nfs/dbraw/zinc/51/45/38/379514538.db2.gz GLVWWVRLCNTWPJ-MRXNPFEDSA-N 0 3 283.375 3.142 20 30 CGEDHN CCN1[C@H](C)CN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000639742974 379563722 /nfs/dbraw/zinc/56/37/22/379563722.db2.gz YEEPFSJJVUGXQF-GASCZTMLSA-N 0 3 290.838 3.106 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000639907966 379638276 /nfs/dbraw/zinc/63/82/76/379638276.db2.gz YLUOAGZSQSUTJG-LYRGGWFBSA-N 0 3 279.330 3.186 20 30 CGEDHN C=CCN(Cc1ccc(Cl)cc1-n1cncn1)C1CC1 ZINC000280238690 379650601 /nfs/dbraw/zinc/65/06/01/379650601.db2.gz NBYCGTIOXIYOEJ-UHFFFAOYSA-N 0 3 288.782 3.071 20 30 CGEDHN C=CCCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000267299325 190319548 /nfs/dbraw/zinc/31/95/48/190319548.db2.gz FKAJLQKAXJXLTD-UHFFFAOYSA-N 0 3 286.419 3.076 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000351532148 379727590 /nfs/dbraw/zinc/72/75/90/379727590.db2.gz ZWZFXUCHKKGZLG-DOMZBBRYSA-N 0 3 256.349 3.194 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1cccc(Br)c1 ZINC000351616751 379732201 /nfs/dbraw/zinc/73/22/01/379732201.db2.gz VASDZMMEBZKRFQ-CQSZACIVSA-N 0 3 298.224 3.208 20 30 CGEDHN C=C(C)CCN[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000351869780 379747934 /nfs/dbraw/zinc/74/79/34/379747934.db2.gz JGWZXIRXBXEPKA-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN N#Cc1cccc(OCCN2CCC=C(c3ccco3)C2)c1 ZINC000352551388 379855070 /nfs/dbraw/zinc/85/50/70/379855070.db2.gz XHLLEWNGEZVKMC-UHFFFAOYSA-N 0 3 294.354 3.319 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(Sc2ccccc2)cc1 ZINC000352452211 379820656 /nfs/dbraw/zinc/82/06/56/379820656.db2.gz CISBCTMXPPTWGR-OAHLLOKOSA-N 0 3 285.412 3.474 20 30 CGEDHN C=CC(C)(C)CNCc1ccn(-c2ccccc2)n1 ZINC000395380456 379922255 /nfs/dbraw/zinc/92/22/55/379922255.db2.gz JQDLWNYUSIXWQV-UHFFFAOYSA-N 0 3 255.365 3.174 20 30 CGEDHN CCS[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000352809042 379973954 /nfs/dbraw/zinc/97/39/54/379973954.db2.gz FOEGYOLHNNJYME-ZYHUDNBSSA-N 0 3 281.450 3.169 20 30 CGEDHN CSC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000404018204 379977611 /nfs/dbraw/zinc/97/76/11/379977611.db2.gz SEMMCYKAWQZGIN-ZDUSSCGKSA-N 0 3 278.396 3.272 20 30 CGEDHN CCC(CC)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000409446722 380038165 /nfs/dbraw/zinc/03/81/65/380038165.db2.gz IPAOTUNNDGAEFV-UHFFFAOYSA-N 0 3 285.435 3.112 20 30 CGEDHN CC1CCC(C)(CNCc2nc(C#N)cs2)CC1 ZINC000352938410 380050075 /nfs/dbraw/zinc/05/00/75/380050075.db2.gz KREDXVURCYPVCJ-UHFFFAOYSA-N 0 3 263.410 3.321 20 30 CGEDHN COc1c(C)cc(CN(C)[C@@H](C)CCC#N)cc1C ZINC000411224114 380135793 /nfs/dbraw/zinc/13/57/93/380135793.db2.gz IYBCRFXNUMWZBM-AWEZNQCLSA-N 0 3 260.381 3.436 20 30 CGEDHN CCN1C[C@@H](C)N(CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411428652 380147328 /nfs/dbraw/zinc/14/73/28/380147328.db2.gz QEQYIIHRYAACMN-HZPDHXFCSA-N 0 3 277.456 3.265 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1cccc(F)c1)CC2 ZINC000353259212 380194255 /nfs/dbraw/zinc/19/42/55/380194255.db2.gz DHHSUSLDZDVOHZ-SFHVURJKSA-N 0 3 296.345 3.353 20 30 CGEDHN CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000353260747 380194580 /nfs/dbraw/zinc/19/45/80/380194580.db2.gz GCBWRVHTKHFAJW-CVEARBPZSA-N 0 3 272.392 3.196 20 30 CGEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCCO2 ZINC000414166385 380196327 /nfs/dbraw/zinc/19/63/27/380196327.db2.gz NOSDNJKKLQIYKZ-CQSZACIVSA-N 0 3 288.391 3.438 20 30 CGEDHN CO[C@]1(C)C[C@H](N(C)Cc2cccc(C#N)c2)C1(C)C ZINC000353936139 380244679 /nfs/dbraw/zinc/24/46/79/380244679.db2.gz YKBOPZSDWBOOHA-DOTOQJQBSA-N 0 3 272.392 3.194 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000414585657 380329509 /nfs/dbraw/zinc/32/95/09/380329509.db2.gz ODJBZFLEXLQXRK-QGZVFWFLSA-N 0 3 295.361 3.066 20 30 CGEDHN C[C@@H](NCc1cccc2nccn21)c1ccc(C#N)cc1 ZINC000354291031 380388179 /nfs/dbraw/zinc/38/81/79/380388179.db2.gz ZNDZEZOZPDDBCD-CYBMUJFWSA-N 0 3 276.343 3.057 20 30 CGEDHN CC#CCCNCc1ccccc1OCc1cccnc1 ZINC000354177886 380355177 /nfs/dbraw/zinc/35/51/77/380355177.db2.gz IZEMOZNTUHXVNR-UHFFFAOYSA-N 0 3 280.371 3.164 20 30 CGEDHN C=CCOCCN1CCC(OCc2ccc(F)cc2)CC1 ZINC000645105862 380583839 /nfs/dbraw/zinc/58/38/39/380583839.db2.gz ADKOTAIRQCMNDT-UHFFFAOYSA-N 0 3 293.382 3.009 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)cc1F ZINC000421360813 380897426 /nfs/dbraw/zinc/89/74/26/380897426.db2.gz FTMDESFLSTZMSW-FUHWJXTLSA-N 0 3 280.346 3.418 20 30 CGEDHN CC(C)(NCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000348313256 218568100 /nfs/dbraw/zinc/56/81/00/218568100.db2.gz WRYZVFYAWIIMSZ-UHFFFAOYSA-N 0 3 299.399 3.083 20 30 CGEDHN C[C@@H]1C[C@H](Nc2cccnc2C#N)CN1Cc1ccccc1 ZINC000357533060 381198965 /nfs/dbraw/zinc/19/89/65/381198965.db2.gz PKYVOFYHWBCELL-ZBFHGGJFSA-N 0 3 292.386 3.028 20 30 CGEDHN C=CCC[C@H](NCc1cn2ccsc2n1)C1CC1 ZINC000358090774 381291991 /nfs/dbraw/zinc/29/19/91/381291991.db2.gz UKRCBAGXCVYXSL-ZDUSSCGKSA-N 0 3 261.394 3.230 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000357826546 381284945 /nfs/dbraw/zinc/28/49/45/381284945.db2.gz LYRKNJREAPJYBX-WDMOLILDSA-N 0 3 272.348 3.054 20 30 CGEDHN C=C(CC)CN1CCC(c2noc(C(C)C)n2)CC1 ZINC000358499530 381312143 /nfs/dbraw/zinc/31/21/43/381312143.db2.gz OUVIMOFQHUKEIH-UHFFFAOYSA-N 0 3 263.385 3.339 20 30 CGEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1F ZINC000359609111 381354530 /nfs/dbraw/zinc/35/45/30/381354530.db2.gz JWELAJUNRNABMZ-NOZJJQNGSA-N 0 3 282.746 3.452 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000360214395 381483785 /nfs/dbraw/zinc/48/37/85/381483785.db2.gz WETLOLQVFGQBJU-PXAZEXFGSA-N 0 3 251.395 3.041 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(Cl)c(C)c1 ZINC000361638838 381850006 /nfs/dbraw/zinc/85/00/06/381850006.db2.gz MWTSCZJXBYKLST-UHFFFAOYSA-N 0 3 253.773 3.283 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)CC#Cc2ccccc2)C12CCC2 ZINC000361824888 381871776 /nfs/dbraw/zinc/87/17/76/381871776.db2.gz HDFWHOOFZKPXGI-MSOLQXFVSA-N 0 3 283.415 3.318 20 30 CGEDHN C=C(CC)CN1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000362190274 381905005 /nfs/dbraw/zinc/90/50/05/381905005.db2.gz LNXLQKSUIYMLCI-AWEZNQCLSA-N 0 3 253.386 3.006 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc(C)c(C)s2)CC1 ZINC000362349535 381950775 /nfs/dbraw/zinc/95/07/75/381950775.db2.gz AKEVULQQHJBLII-UHFFFAOYSA-N 0 3 265.426 3.212 20 30 CGEDHN Cc1ccc2c(c1)OCCC[C@@H]2NCC1(CC#N)CC1 ZINC000366814307 382318257 /nfs/dbraw/zinc/31/82/57/382318257.db2.gz WHMDDDDSBHVHAZ-HNNXBMFYSA-N 0 3 270.376 3.492 20 30 CGEDHN COC1(CNCc2ccc(C#N)s2)CCC(C)CC1 ZINC000279654842 194514664 /nfs/dbraw/zinc/51/46/64/194514664.db2.gz FORWTPLRIDVIKF-UHFFFAOYSA-N 0 3 278.421 3.305 20 30 CGEDHN C#CCCCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000192171772 533025721 /nfs/dbraw/zinc/02/57/21/533025721.db2.gz IVRSIIHWGVLHCN-UHFFFAOYSA-N 0 3 284.403 3.415 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2[C@@H]2CCCOC2)c1F ZINC000335381894 208327156 /nfs/dbraw/zinc/32/71/56/208327156.db2.gz WUUNPUHDOMWAEQ-CVEARBPZSA-N 0 3 288.366 3.088 20 30 CGEDHN C=CC[C@@H](C)N[C@H](c1cnn(C)c1)c1ccccc1 ZINC000282260304 542385302 /nfs/dbraw/zinc/38/53/02/542385302.db2.gz JWXCCUBMXWANIZ-CJNGLKHVSA-N 0 3 255.365 3.064 20 30 CGEDHN Cc1cc(CN2C[C@H](O)C[C@@H]2c2ccccc2)ccc1C#N ZINC000411926531 533637970 /nfs/dbraw/zinc/63/79/70/533637970.db2.gz PVZBJIPHIWHERG-RTBURBONSA-N 0 3 292.382 3.175 20 30 CGEDHN CCC(=O)CCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000190197773 130072073 /nfs/dbraw/zinc/07/20/73/130072073.db2.gz HTRFYZCNCWSCJR-ZDUSSCGKSA-N 0 3 258.365 3.310 20 30 CGEDHN CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000072685703 392210355 /nfs/dbraw/zinc/21/03/55/392210355.db2.gz URBNKQWBHJYMCD-UHFFFAOYSA-N 0 3 296.374 3.371 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](c2ccccc2C)C(C)C)C1=O ZINC000281955813 392263182 /nfs/dbraw/zinc/26/31/82/392263182.db2.gz JXVHVRQIRAJPBN-SJORKVTESA-N 0 3 286.419 3.069 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCc1cc(C#N)ccc1F ZINC000233846428 130931450 /nfs/dbraw/zinc/93/14/50/130931450.db2.gz HTGOJRIXQCOPPK-CABCVRRESA-N 0 3 278.396 3.461 20 30 CGEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361830017 392335310 /nfs/dbraw/zinc/33/53/10/392335310.db2.gz POGNKAVTMATEQR-WBVHZDCISA-N 0 3 290.382 3.333 20 30 CGEDHN Cc1ccc([C@@H](CNc2cc(C#N)ccn2)N2CCCC2)o1 ZINC000286044411 392367498 /nfs/dbraw/zinc/36/74/98/392367498.db2.gz ALOIMIMHUZVJGR-OAHLLOKOSA-N 0 3 296.374 3.104 20 30 CGEDHN CN(Cc1ccc2c(c1)CCO2)Cc1cccc(C#N)c1 ZINC000109829385 392374173 /nfs/dbraw/zinc/37/41/73/392374173.db2.gz HOWDPMAQIVHBGO-UHFFFAOYSA-N 0 3 278.355 3.125 20 30 CGEDHN C=CCC[C@@H](NCCOc1ncccc1F)c1ccco1 ZINC000286188961 392378941 /nfs/dbraw/zinc/37/89/41/392378941.db2.gz QTAYOKZYMNIEQT-CQSZACIVSA-N 0 3 290.338 3.490 20 30 CGEDHN C#CCSCCN[C@H](C)c1nccc2ccccc21 ZINC000289532121 392424154 /nfs/dbraw/zinc/42/41/54/392424154.db2.gz AHLRVBSLXKIIGI-CYBMUJFWSA-N 0 3 270.401 3.252 20 30 CGEDHN C=CCOc1cccc(CN2CCC3(CCO3)CC2)c1 ZINC000367071378 392467737 /nfs/dbraw/zinc/46/77/37/392467737.db2.gz JXTIJDBZFWDWFM-UHFFFAOYSA-N 0 3 273.376 3.006 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(F)c(CN(C)C)c2)cc1 ZINC000290376233 392446530 /nfs/dbraw/zinc/44/65/30/392446530.db2.gz NQKAEHQTCKSBGI-UHFFFAOYSA-N 0 3 296.389 3.158 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(OCCCC)c1 ZINC000154788069 392536941 /nfs/dbraw/zinc/53/69/41/392536941.db2.gz SFFAXSLMGJERLZ-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C=CCC[C@H](NCCC(C)(C)CO)c1ccco1 ZINC000296446403 392559557 /nfs/dbraw/zinc/55/95/57/392559557.db2.gz MOJAESLRGJIRCQ-ZDUSSCGKSA-N 0 3 251.370 3.285 20 30 CGEDHN COc1ccc([C@H](C)NCCCCC#N)c(F)c1 ZINC000178641132 392682377 /nfs/dbraw/zinc/68/23/77/392682377.db2.gz QGKAAYLKGQTKED-NSHDSACASA-N 0 3 250.317 3.179 20 30 CGEDHN COc1ccc2c(c1)CN(CCCC(C)(C)C#N)CC2 ZINC000174833470 392646937 /nfs/dbraw/zinc/64/69/37/392646937.db2.gz GYKHWGRHWJZHSX-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1cccc(Cl)c1 ZINC000182599956 392747764 /nfs/dbraw/zinc/74/77/64/392747764.db2.gz YHAGSWJKWTYXCN-BXUZGUMPSA-N 0 3 280.799 3.071 20 30 CGEDHN CC(C)CCN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182664807 392748076 /nfs/dbraw/zinc/74/80/76/392748076.db2.gz YKZALDCYDDGPQB-QGZVFWFLSA-N 0 3 299.418 3.032 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCOCC2(CC2)C1 ZINC000335658261 392805565 /nfs/dbraw/zinc/80/55/65/392805565.db2.gz ZDNWQCPGSCLZBJ-UHFFFAOYSA-N 0 3 284.403 3.100 20 30 CGEDHN N#Cc1cc(Cl)ccc1CNC1(C2CC2)CCOCC1 ZINC000375707433 392807403 /nfs/dbraw/zinc/80/74/03/392807403.db2.gz XJDMUIQUDYVNOB-UHFFFAOYSA-N 0 3 290.794 3.260 20 30 CGEDHN C[C@@H]1C[C@H](C)CN1Cc1cn2ccccc2c1C#N ZINC000525410476 392937343 /nfs/dbraw/zinc/93/73/43/392937343.db2.gz HMAGVPIKFDEGHS-QWHCGFSZSA-N 0 3 253.349 3.041 20 30 CGEDHN C=CCOCCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000338912919 392934038 /nfs/dbraw/zinc/93/40/38/392934038.db2.gz FFJQVMZVGVOXCH-UHFFFAOYSA-N 0 3 273.298 3.340 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)S[C@H](C)C1 ZINC000524756895 392936661 /nfs/dbraw/zinc/93/66/61/392936661.db2.gz PMGFAWXBSVZLRA-UPJWGTAASA-N 0 3 260.406 3.445 20 30 CGEDHN CC(C)CCC1CCN(CCOCCC#N)CC1 ZINC000339018870 392942081 /nfs/dbraw/zinc/94/20/81/392942081.db2.gz JLMXMPRWCFYZDQ-UHFFFAOYSA-N 0 3 252.402 3.065 20 30 CGEDHN Cc1cc(C)cc([C@H]2CCN(CCOCCC#N)C2)c1 ZINC000339083391 392947217 /nfs/dbraw/zinc/94/72/17/392947217.db2.gz RVKXSQKXCBUFDN-INIZCTEOSA-N 0 3 272.392 3.023 20 30 CGEDHN CCC[C@]1(COC)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000194938192 392947946 /nfs/dbraw/zinc/94/79/46/392947946.db2.gz COVOOJVVFYIVSO-QGZVFWFLSA-N 0 3 290.382 3.478 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000339119562 392949114 /nfs/dbraw/zinc/94/91/14/392949114.db2.gz LMQHGXSUKJRANG-NSHDSACASA-N 0 3 263.312 3.425 20 30 CGEDHN Cc1ccc(F)c(CNCCc2cccc(C#N)c2)c1 ZINC000466427073 393030817 /nfs/dbraw/zinc/03/08/17/393030817.db2.gz ZJTFNRRJPBRCTI-UHFFFAOYSA-N 0 3 268.335 3.338 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cnc2ccccc2c1 ZINC000411642887 392984862 /nfs/dbraw/zinc/98/48/62/392984862.db2.gz HTABNSIJYUDGNP-UHFFFAOYSA-N 0 3 283.419 3.175 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411790110 392988699 /nfs/dbraw/zinc/98/86/99/392988699.db2.gz GIRKTSBNWHLPRK-UKRRQHHQSA-N 0 3 287.363 3.466 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OC)c(Cl)c1 ZINC000412038900 392995463 /nfs/dbraw/zinc/99/54/63/392995463.db2.gz JQZONVDWDKBEAE-CYBMUJFWSA-N 0 3 283.799 3.108 20 30 CGEDHN CCC(CC)(CNC(=O)C(C)C#N)c1ccccc1 ZINC000345631246 393061750 /nfs/dbraw/zinc/06/17/50/393061750.db2.gz LXGIJWLSGOKLSI-ZDUSSCGKSA-N 0 3 258.365 3.020 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000348173122 393115713 /nfs/dbraw/zinc/11/57/13/393115713.db2.gz UVDSOZDJVBNDOD-GJZGRUSLSA-N 0 3 298.430 3.251 20 30 CGEDHN CCN(Cc1ccc(C(=O)NCCCCC#N)cc1)C1CC1 ZINC000349303218 393142585 /nfs/dbraw/zinc/14/25/85/393142585.db2.gz XZNPXUGZNNJJEY-UHFFFAOYSA-N 0 3 299.418 3.095 20 30 CGEDHN C=CC[C@H](C)N[C@@H](c1ccccc1)c1cncnc1 ZINC000349489945 393148830 /nfs/dbraw/zinc/14/88/30/393148830.db2.gz BRHLIZDAKYAGSY-BBRMVZONSA-N 0 3 253.349 3.120 20 30 CGEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCCCC#N ZINC000351137534 393164398 /nfs/dbraw/zinc/16/43/98/393164398.db2.gz CCPOTJDTRRRPQC-FZMZJTMJSA-N 0 3 266.772 3.309 20 30 CGEDHN C[C@]1(NCC#Cc2ccc(Cl)cc2)CCO[C@H]1C1CC1 ZINC000273071111 393270121 /nfs/dbraw/zinc/27/01/21/393270121.db2.gz OKEQYXGPIQIKJR-IRXDYDNUSA-N 0 3 289.806 3.239 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CC1CCCC1 ZINC000475044867 393367253 /nfs/dbraw/zinc/36/72/53/393367253.db2.gz CNCVGABWSKWYNX-IBGZPJMESA-N 0 3 298.430 3.487 20 30 CGEDHN Cc1cc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1C#N ZINC000488171920 393466258 /nfs/dbraw/zinc/46/62/58/393466258.db2.gz PTEFVAHVMRBKGI-DLBZAZTESA-N 0 3 286.419 3.096 20 30 CGEDHN CCC1CCC(N(CCO)Cc2ccc(C#N)s2)CC1 ZINC000488571677 393540956 /nfs/dbraw/zinc/54/09/56/393540956.db2.gz GXRPZHSSIVAWOB-UHFFFAOYSA-N 0 3 292.448 3.383 20 30 CGEDHN CCC#C[C@H](C)N1CCC(c2ccc(OC)cn2)CC1 ZINC000649651449 393526503 /nfs/dbraw/zinc/52/65/03/393526503.db2.gz LXNUVRSTHFENBP-AWEZNQCLSA-N 0 3 272.392 3.072 20 30 CGEDHN COc1ccc2c(c1)C[C@H](C)N(CCCC#N)[C@@H]2C ZINC000359539339 393550155 /nfs/dbraw/zinc/55/01/55/393550155.db2.gz ORLNHPBGPHUWMP-QWHCGFSZSA-N 0 3 258.365 3.307 20 30 CGEDHN Cc1cc(CN2CCSC[C@H](C)C2)ccc1C#N ZINC000489009467 393570626 /nfs/dbraw/zinc/57/06/26/393570626.db2.gz ISVHUMYKQCJCJG-GFCCVEGCSA-N 0 3 260.406 3.052 20 30 CGEDHN C=C(C)[C@H](NCC1(O)CCC1)c1ccc(F)c(F)c1 ZINC000360629731 393571140 /nfs/dbraw/zinc/57/11/40/393571140.db2.gz OHHINXYQDFVHMJ-AWEZNQCLSA-N 0 3 267.319 3.087 20 30 CGEDHN CCc1cnccc1[C@@H](C)NCCOc1cccc(C#N)c1 ZINC000361119946 393678604 /nfs/dbraw/zinc/67/86/04/393678604.db2.gz OGIWWQMWSZOEAG-CQSZACIVSA-N 0 3 295.386 3.245 20 30 CGEDHN C=CCCCN[C@H](c1ccccc1)c1cncnc1 ZINC000448025032 393868142 /nfs/dbraw/zinc/86/81/42/393868142.db2.gz BODKBEYEGONGKQ-MRXNPFEDSA-N 0 3 253.349 3.122 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667473260 542873370 /nfs/dbraw/zinc/87/33/70/542873370.db2.gz DPAGKTCHHIMMAW-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@@H](NCCN1CCCC1(C)C)c1ccc(C#N)cc1F ZINC000453407668 394236772 /nfs/dbraw/zinc/23/67/72/394236772.db2.gz UYGNDAHKODXQJL-CYBMUJFWSA-N 0 3 289.398 3.222 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000456959716 394301201 /nfs/dbraw/zinc/30/12/01/394301201.db2.gz GMNMJNXSQJJXPO-MJBXVCDLSA-N 0 3 285.391 3.067 20 30 CGEDHN C=CCCCCCN(C)Cc1c(C2CC2)cnn1C ZINC000667650497 542904962 /nfs/dbraw/zinc/90/49/62/542904962.db2.gz ZGNGTSTXPRFXPW-UHFFFAOYSA-N 0 3 261.413 3.476 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccccc2C(=O)N(C)C)C1 ZINC000668494284 543019867 /nfs/dbraw/zinc/01/98/67/543019867.db2.gz XHWNDHNVLUYYMK-HNNXBMFYSA-N 0 3 286.419 3.177 20 30 CGEDHN N#CC(C(=O)c1ccoc1)c1ccc2ccccc2n1 ZINC000047375845 397632085 /nfs/dbraw/zinc/63/20/85/397632085.db2.gz PWSLDVPCEDERQS-CYBMUJFWSA-N 0 3 262.268 3.318 20 30 CGEDHN CN(CCCC#N)CCc1ccc(Br)cc1 ZINC000258851163 397669821 /nfs/dbraw/zinc/66/98/21/397669821.db2.gz DKQDJYPWKASDTH-UHFFFAOYSA-N 0 3 281.197 3.227 20 30 CGEDHN CCN(CC#CCOC)[C@H](C)c1cc2ccccc2o1 ZINC000677478305 543450305 /nfs/dbraw/zinc/45/03/05/543450305.db2.gz UMDMTTWXPGKGLF-CQSZACIVSA-N 0 3 271.360 3.466 20 30 CGEDHN COCC#CCN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000677817245 543467336 /nfs/dbraw/zinc/46/73/36/543467336.db2.gz LGLQOFDTFBPZJS-OAHLLOKOSA-N 0 3 265.784 3.277 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000678234233 543498900 /nfs/dbraw/zinc/49/89/00/543498900.db2.gz ATQQIXCYCKHZGC-QGZVFWFLSA-N 0 3 297.402 3.285 20 30 CGEDHN C=CCOc1cccc(CN(C)CCOC(C)(C)C)c1 ZINC000678283615 543511212 /nfs/dbraw/zinc/51/12/12/543511212.db2.gz GLQQPHVFPVOQOW-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OCCC)c(OC)c1 ZINC000678745703 543553495 /nfs/dbraw/zinc/55/34/95/543553495.db2.gz SCNJVUKRQHBJGG-ZFWWWQNUSA-N 0 3 293.407 3.072 20 30 CGEDHN C=CCCC[C@@H](C)N(C)CC(=O)N(C)C1CCCCC1 ZINC000678714811 543549552 /nfs/dbraw/zinc/54/95/52/543549552.db2.gz QOKDKQPVPVZHAP-OAHLLOKOSA-N 0 3 280.456 3.454 20 30 CGEDHN C=CCC[C@@H](NCc1ccn(C)c(=O)c1)c1ccccc1 ZINC000678785671 543558595 /nfs/dbraw/zinc/55/85/95/543558595.db2.gz PAMYANWAAOFILT-QGZVFWFLSA-N 0 3 282.387 3.182 20 30 CGEDHN COCC#CCN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000678794255 543559404 /nfs/dbraw/zinc/55/94/04/543559404.db2.gz FJWXWHNPCKQVSJ-HNNXBMFYSA-N 0 3 280.371 3.049 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)cc1OC ZINC000443989349 533675728 /nfs/dbraw/zinc/67/57/28/533675728.db2.gz QLRFQWRJBMMPPX-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN Cc1ccc([C@H](CNc2ccc(C#N)cn2)N2CCCC2)o1 ZINC000263691225 292256689 /nfs/dbraw/zinc/25/66/89/292256689.db2.gz JULBTBDTBUUSCU-HNNXBMFYSA-N 0 3 296.374 3.104 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087770945 165189886 /nfs/dbraw/zinc/18/98/86/165189886.db2.gz OJMBCRFSGBBAKP-CJNGLKHVSA-N 0 3 258.340 3.462 20 30 CGEDHN COc1ccc([C@@H]2CCN(Cc3ccc(C#N)o3)C2)cc1 ZINC000092783305 165313261 /nfs/dbraw/zinc/31/32/61/165313261.db2.gz XYEXOWISTNEIAU-CQSZACIVSA-N 0 3 282.343 3.149 20 30 CGEDHN COc1ccc(C[C@@H](C)CN(C)Cc2ccc(C#N)o2)cc1 ZINC000093772121 287119169 /nfs/dbraw/zinc/11/91/69/287119169.db2.gz SVTWIRMFKVLBNI-CQSZACIVSA-N 0 3 298.386 3.470 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CN1C1CC1 ZINC000122818939 287212986 /nfs/dbraw/zinc/21/29/86/287212986.db2.gz XNLFPOGSJHELQD-ZWNOBZJWSA-N 0 3 275.783 3.249 20 30 CGEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000020260969 171118121 /nfs/dbraw/zinc/11/81/21/171118121.db2.gz ZFDOPBYTMMFCHX-UHFFFAOYSA-N 0 3 293.370 3.019 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@H](COc2ccccc2)C1 ZINC000679540440 543644034 /nfs/dbraw/zinc/64/40/34/543644034.db2.gz MCVMYAXMGDZDGW-CVEARBPZSA-N 0 3 257.377 3.189 20 30 CGEDHN C=CCOCCN[C@@H]1CCSc2ccc(F)cc21 ZINC000679576156 543648471 /nfs/dbraw/zinc/64/84/71/543648471.db2.gz JGSFVRWAYIBSPW-CYBMUJFWSA-N 0 3 267.369 3.155 20 30 CGEDHN C=CCOCCNCc1cccc(Cl)c1OCC ZINC000683774626 543941352 /nfs/dbraw/zinc/94/13/52/543941352.db2.gz CQKQJENDCVJSSS-UHFFFAOYSA-N 0 3 269.772 3.031 20 30 CGEDHN CCC#C[C@@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000685599292 544088297 /nfs/dbraw/zinc/08/82/97/544088297.db2.gz LOFULCNXAVAURH-QAPCUYQASA-N 0 3 283.415 3.472 20 30 CGEDHN N#CCC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000336499694 227066269 /nfs/dbraw/zinc/06/62/69/227066269.db2.gz QQFRAJMBRVFAEY-UHFFFAOYSA-N 0 3 271.339 3.433 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000658335406 418940599 /nfs/dbraw/zinc/94/05/99/418940599.db2.gz WFFSUWYDMYXHKH-GDBMZVCRSA-N 0 3 277.408 3.309 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCOC3)n1 ZINC000659010217 418956998 /nfs/dbraw/zinc/95/69/98/418956998.db2.gz JKJKWCGTWWPVCY-AWEZNQCLSA-N 0 3 298.367 3.014 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@H]2CC(C)(C)C)nn1 ZINC000653525160 419042116 /nfs/dbraw/zinc/04/21/16/419042116.db2.gz CTSCDOYMANOLEE-HNNXBMFYSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CNC(C)(C)Cc2ccc(C)cc2)nn1 ZINC000653766681 419082484 /nfs/dbraw/zinc/08/24/84/419082484.db2.gz QDSZMSJVPWWVJB-UHFFFAOYSA-N 0 3 298.434 3.274 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C(C)C ZINC000665390308 419122719 /nfs/dbraw/zinc/12/27/19/419122719.db2.gz AKKGPCXEBJXMBY-JKSUJKDBSA-N 0 3 295.471 3.103 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)C(C)(C)c2ccccc2)nn1 ZINC000653603382 419058610 /nfs/dbraw/zinc/05/86/10/419058610.db2.gz KAORPXCFIGIZEN-OAHLLOKOSA-N 0 3 298.434 3.310 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000660446974 419145294 /nfs/dbraw/zinc/14/52/94/419145294.db2.gz VSMXDDNKAODRSY-MSOLQXFVSA-N 0 3 289.419 3.116 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(C)(C)CC)CC1 ZINC000660596239 419167547 /nfs/dbraw/zinc/16/75/47/419167547.db2.gz AXGQVHFSYXWJBO-CQSZACIVSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CC[C@@H]1CCCN(CCOCC(F)(F)C(F)F)C1 ZINC000661386906 419256711 /nfs/dbraw/zinc/25/67/11/419256711.db2.gz WFXFQGHNLHLKSR-LLVKDONJSA-N 0 3 283.309 3.192 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)CCC(C)(C)C)nn1 ZINC000657368082 419261627 /nfs/dbraw/zinc/26/16/27/419261627.db2.gz UIZHJDQDNFZKHR-CYBMUJFWSA-N 0 3 264.417 3.159 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(F)c(F)c1F ZINC000657455578 419282995 /nfs/dbraw/zinc/28/29/95/419282995.db2.gz VMOHBPQCABXPOL-XHDPSFHLSA-N 0 3 285.309 3.175 20 30 CGEDHN C=CCCn1cc(CNCC(C)(C)C(C)(C)C)nn1 ZINC000657473177 419287196 /nfs/dbraw/zinc/28/71/96/419287196.db2.gz GEHJFFZRYYCJDO-UHFFFAOYSA-N 0 3 264.417 3.016 20 30 CGEDHN C=CCC1(CNCc2cn(C3CCC3)nn2)CCCC1 ZINC000657486211 419290848 /nfs/dbraw/zinc/29/08/48/419290848.db2.gz UBXBJMXAXGFGGJ-UHFFFAOYSA-N 0 3 274.412 3.229 20 30 CGEDHN C=CCN(CC(=O)N(C)Cc1ccccc1C)C(C)(C)C ZINC000661755598 419295155 /nfs/dbraw/zinc/29/51/55/419295155.db2.gz VNCISLFODLJHAX-UHFFFAOYSA-N 0 3 288.435 3.240 20 30 CGEDHN C=CCC1(NCc2nnc(C3CC3)s2)CCCC1 ZINC000661849930 419304762 /nfs/dbraw/zinc/30/47/62/419304762.db2.gz DDHVHSGJHSRXJZ-UHFFFAOYSA-N 0 3 263.410 3.394 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](CO)c1ccc(F)cc1F ZINC000662165248 419350463 /nfs/dbraw/zinc/35/04/63/419350463.db2.gz MDGPRQFZHDEQLF-NHYWBVRUSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCCC(C)(C)NCc1ncc(COC)s1 ZINC000657804884 419361284 /nfs/dbraw/zinc/36/12/84/419361284.db2.gz FUPVEERXQXXWKL-UHFFFAOYSA-N 0 3 254.399 3.124 20 30 CGEDHN C=CCC[C@H](O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000662343381 419398373 /nfs/dbraw/zinc/39/83/73/419398373.db2.gz KVOVUQFCYBZISG-RDJZCZTQSA-N 0 3 259.393 3.229 20 30 CGEDHN C=C(CC)CN1CCN(CC(=C)CC)[C@@H](C)[C@@H]1C ZINC000662226449 419366605 /nfs/dbraw/zinc/36/66/05/419366605.db2.gz ZXPZUFCCMAMWLQ-HOTGVXAUSA-N 0 3 250.430 3.313 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1cncc(Br)c1 ZINC000657906435 419431597 /nfs/dbraw/zinc/43/15/97/419431597.db2.gz YBCPMAZXXPSUGT-DTWKUNHWSA-N 0 3 255.159 3.069 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc2cnccc2o1 ZINC000658029260 419504699 /nfs/dbraw/zinc/50/46/99/419504699.db2.gz ILQKPZQAAOFHGT-YUTCNCBUSA-N 0 3 272.348 3.212 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1c(OC)cccc1OC ZINC000658120470 419599832 /nfs/dbraw/zinc/59/98/32/419599832.db2.gz IQMOPJKRCWBWOB-CHWSQXEVSA-N 0 3 263.381 3.394 20 30 CGEDHN C(=N/OCc1ccccc1)\c1ccc(N2CCOCC2)cc1 ZINC000072809719 260278709 /nfs/dbraw/zinc/27/87/09/260278709.db2.gz WMRQOFOCPLFQBJ-XMHGGMMESA-N 0 3 296.370 3.074 20 30 CGEDHN Cc1csc(C2(NCCCSCC#N)CCCC2)n1 ZINC000083215783 260346830 /nfs/dbraw/zinc/34/68/30/260346830.db2.gz FXFDWXUZLDUNNX-UHFFFAOYSA-N 0 3 295.477 3.457 20 30 CGEDHN CCC(CC)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000409446727 260409447 /nfs/dbraw/zinc/40/94/47/260409447.db2.gz NWPBAICACAGQFL-SFHVURJKSA-N 0 3 285.435 3.305 20 30 CGEDHN CCOCc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185769608 262069751 /nfs/dbraw/zinc/06/97/51/262069751.db2.gz WACFOSNUVDVORG-PBHICJAKSA-N 0 3 272.392 3.395 20 30 CGEDHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185768695 262069917 /nfs/dbraw/zinc/06/99/17/262069917.db2.gz SXXKYZBGCGYBQU-NOLJZWGESA-N 0 3 285.391 3.378 20 30 CGEDHN CCOc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1OC ZINC000192865239 262212181 /nfs/dbraw/zinc/21/21/81/262212181.db2.gz LNKFGRKLMTYMEX-ZFWWWQNUSA-N 0 3 288.391 3.266 20 30 CGEDHN CCO[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000193429834 262222044 /nfs/dbraw/zinc/22/20/44/262222044.db2.gz BFCCUCCDEFGSFK-BHYGNILZSA-N 0 3 272.392 3.436 20 30 CGEDHN C=CCCOCCNCc1ccccc1OC(F)(F)F ZINC000120860777 262239033 /nfs/dbraw/zinc/23/90/33/262239033.db2.gz CRKUWNRCKRDETL-UHFFFAOYSA-N 0 3 289.297 3.268 20 30 CGEDHN C=CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000110363752 262257154 /nfs/dbraw/zinc/25/71/54/262257154.db2.gz COTXGKYWHKHARZ-SFHVURJKSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CCC[C@@H](NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000160475013 262273422 /nfs/dbraw/zinc/27/34/22/262273422.db2.gz VERAZHBOAGTBMJ-CQSZACIVSA-N 0 3 270.380 3.164 20 30 CGEDHN Cc1cc(CNCCCC#N)ccc1C(F)(F)F ZINC000414438723 262918764 /nfs/dbraw/zinc/91/87/64/262918764.db2.gz WBCZWOKRIHXBAE-UHFFFAOYSA-N 0 3 256.271 3.407 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1conc1C ZINC000414533915 262985327 /nfs/dbraw/zinc/98/53/27/262985327.db2.gz JECRGDDMPQOPAN-MRXNPFEDSA-N 0 3 256.349 3.260 20 30 CGEDHN Cc1cc(Cl)cc(CN2CCC(C)(C#N)CC2)c1O ZINC000272581843 263007028 /nfs/dbraw/zinc/00/70/28/263007028.db2.gz YIOQOAUUPPZZGC-UHFFFAOYSA-N 0 3 278.783 3.480 20 30 CGEDHN CC(C)COC[C@@H](NCCCSCC#N)c1ccco1 ZINC000273224795 263014141 /nfs/dbraw/zinc/01/41/41/263014141.db2.gz BMMQNIFCKFTQPF-CQSZACIVSA-N 0 3 296.436 3.230 20 30 CGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000274611961 263027572 /nfs/dbraw/zinc/02/75/72/263027572.db2.gz KNCMPXPIBGIYPH-IACUBPJLSA-N 0 3 274.412 3.289 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000274645239 263028466 /nfs/dbraw/zinc/02/84/66/263028466.db2.gz RXHYTLLPFNTOGF-KYOSRNDESA-N 0 3 273.336 3.328 20 30 CGEDHN CC1(C)C[C@@H](NCCCC#N)c2cc([N+](=O)[O-])ccc21 ZINC000279122625 263052954 /nfs/dbraw/zinc/05/29/54/263052954.db2.gz QEQXRKCZQLIPCY-CQSZACIVSA-N 0 3 273.336 3.211 20 30 CGEDHN C=CCCCCCN1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366594612 263067973 /nfs/dbraw/zinc/06/79/73/263067973.db2.gz SQVMTSATKSNIOE-CVEARBPZSA-N 0 3 267.413 3.003 20 30 CGEDHN COCCC[C@@H](NCCCC#N)c1ccc(F)cc1 ZINC000282134128 263074521 /nfs/dbraw/zinc/07/45/21/263074521.db2.gz BONMRWFFIJFCAN-OAHLLOKOSA-N 0 3 264.344 3.187 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@@H]1OCCc2sccc21 ZINC000291998421 263127144 /nfs/dbraw/zinc/12/71/44/263127144.db2.gz XKXZRSMNLHXSBH-YFCNSXCBSA-N 0 3 276.405 3.032 20 30 CGEDHN CC[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631404 263164924 /nfs/dbraw/zinc/16/49/24/263164924.db2.gz PIJCTWJTMAOHIC-IPMKNSEASA-N 0 3 297.446 3.275 20 30 CGEDHN N#CCC1(CN[C@H]2CCCc3ccc(O)cc32)CC1 ZINC000340529777 263186349 /nfs/dbraw/zinc/18/63/49/263186349.db2.gz DGDKDEXCYMWGTK-HNNXBMFYSA-N 0 3 256.349 3.053 20 30 CGEDHN C[C@H](CCC#N)N1CCC(F)(c2ccccn2)CC1 ZINC000298021071 263214002 /nfs/dbraw/zinc/21/40/02/263214002.db2.gz BDNGAUDVOKGZGM-CYBMUJFWSA-N 0 3 261.344 3.034 20 30 CGEDHN C[C@H](CCC#N)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000298557478 263221976 /nfs/dbraw/zinc/22/19/76/263221976.db2.gz OZRFZFXCPJSFGR-UGFHNGPFSA-N 0 3 278.783 3.452 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@]23CCOC3)cc1 ZINC000342839579 263528113 /nfs/dbraw/zinc/52/81/13/263528113.db2.gz IPKJTRHCRHZGNI-KRWDZBQOSA-N 0 3 273.376 3.006 20 30 CGEDHN CCc1nc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)co1 ZINC000330844038 264066403 /nfs/dbraw/zinc/06/64/03/264066403.db2.gz OEMQKFVIMZOLLC-GFCCVEGCSA-N 0 3 293.411 3.052 20 30 CGEDHN C#CCCCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000090397996 264399932 /nfs/dbraw/zinc/39/99/32/264399932.db2.gz AVKFKNWCQZREEF-LBPRGKRZSA-N 0 3 262.422 3.476 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc3cc[nH]c32)C1 ZINC000335685857 265170329 /nfs/dbraw/zinc/17/03/29/265170329.db2.gz YTFUVYOWZUBXLM-IUODEOHRSA-N 0 3 253.349 3.340 20 30 CGEDHN C[C@@]1(NCc2cccc(OCCCC#N)c2)CCCOC1 ZINC000357346388 266280504 /nfs/dbraw/zinc/28/05/04/266280504.db2.gz QPFWTQXZFWQWJS-QGZVFWFLSA-N 0 3 288.391 3.028 20 30 CGEDHN C=CCN(Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000357552335 266321464 /nfs/dbraw/zinc/32/14/64/266321464.db2.gz MCWXDCUYSONRPK-SFHVURJKSA-N 0 3 287.403 3.395 20 30 CGEDHN C=CCN1CCC(NC(=O)c2sccc2C2CC2)CC1 ZINC000357814297 266371409 /nfs/dbraw/zinc/37/14/09/266371409.db2.gz CBZJHDQZQICBFS-UHFFFAOYSA-N 0 3 290.432 3.006 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1nnc(C(C)C)s1 ZINC000358284132 266448249 /nfs/dbraw/zinc/44/82/49/266448249.db2.gz HIFWGGJECVUYMJ-MNOVXSKESA-N 0 3 253.415 3.352 20 30 CGEDHN COc1cccc([C@@H](CNCc2cccc(C#N)c2)OC)c1 ZINC000527740495 270133731 /nfs/dbraw/zinc/13/37/31/270133731.db2.gz SYUXGCJHWNIPOV-GOSISDBHSA-N 0 3 296.370 3.044 20 30 CGEDHN CCC[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)OCC ZINC000527934574 267034770 /nfs/dbraw/zinc/03/47/70/267034770.db2.gz SQJUIJXGCBLJJK-NVXWUHKLSA-N 0 3 272.392 3.340 20 30 CGEDHN CCCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000363115185 267075252 /nfs/dbraw/zinc/07/52/52/267075252.db2.gz KIFOSSJVPZYJET-CVEARBPZSA-N 0 3 280.456 3.432 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccnn1C ZINC000334906962 274257581 /nfs/dbraw/zinc/25/75/81/274257581.db2.gz QKEZWXDQNYKZIN-MLGOLLRUSA-N 0 3 280.375 3.020 20 30 CGEDHN C[C@@H](N[C@@H]1COc2ccc(F)cc2C1)c1ccc(C#N)cc1 ZINC000290167811 274259661 /nfs/dbraw/zinc/25/96/61/274259661.db2.gz DQEQZELTSKCECT-PXAZEXFGSA-N 0 3 296.345 3.352 20 30 CGEDHN CC1(C)CC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)O1 ZINC000353594921 276114879 /nfs/dbraw/zinc/11/48/79/276114879.db2.gz IFVCUERTZJGULU-HOCLYGCPSA-N 0 3 270.376 3.093 20 30 CGEDHN COC1([C@H](C)NCc2ccc(C#N)s2)CCCC1 ZINC000421848532 277191154 /nfs/dbraw/zinc/19/11/54/277191154.db2.gz AJFIZZHRDLWDJK-NSHDSACASA-N 0 3 264.394 3.057 20 30 CGEDHN C[C@H](N[C@H]1CCCc2cn[nH]c21)c1ccc(C#N)cc1F ZINC000334308408 278282352 /nfs/dbraw/zinc/28/23/52/278282352.db2.gz DXDQTORAUQIYMI-BONVTDFDSA-N 0 3 284.338 3.149 20 30 CGEDHN C[C@H](O)CN(Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000104684834 278289154 /nfs/dbraw/zinc/28/91/54/278289154.db2.gz PGHAQBPHRHYRNN-ZDUSSCGKSA-N 0 3 290.382 3.213 20 30 CGEDHN C[C@H](NCC(=O)Nc1nc2c(s1)CCC2)C1CCCC1 ZINC000329657044 279461935 /nfs/dbraw/zinc/46/19/35/279461935.db2.gz GPTAURRECFMHHN-JTQLQIEISA-N 0 3 293.436 3.388 20 30 CGEDHN C[C@]1(CNCc2ccc(C#N)cc2)OCCc2sccc21 ZINC000289967281 280157208 /nfs/dbraw/zinc/15/72/08/280157208.db2.gz YPDMFDDOTSNALK-QGZVFWFLSA-N 0 3 298.411 3.197 20 30 CGEDHN Cc1ccc(CCN[C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000540707787 288667722 /nfs/dbraw/zinc/66/77/22/288667722.db2.gz NWFNWXWPZFEMKK-GFCCVEGCSA-N 0 3 272.323 3.492 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1F)N1CCC[C@]2(CCOC2)C1 ZINC000334531257 290222838 /nfs/dbraw/zinc/22/28/38/290222838.db2.gz QYZBSYRYLJGOLI-DYVFJYSZSA-N 0 3 288.366 3.261 20 30 CGEDHN COc1ccc(OC)c([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185759622 327844651 /nfs/dbraw/zinc/84/46/51/327844651.db2.gz XAQDMRGLSHJVHD-RDBSUJKOSA-N 0 3 288.391 3.437 20 30 CGEDHN N#Cc1c(F)cccc1SCCN1CCCCC1 ZINC000581559524 327891711 /nfs/dbraw/zinc/89/17/11/327891711.db2.gz BUGVPDBYDDKNNY-UHFFFAOYSA-N 0 3 264.369 3.275 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](CC)c1ccccc1OC ZINC000320344518 328005746 /nfs/dbraw/zinc/00/57/46/328005746.db2.gz DFMNWNYDAPZQMA-ZFWWWQNUSA-N 0 3 263.381 3.063 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000411767270 328099221 /nfs/dbraw/zinc/09/92/21/328099221.db2.gz NNGADVIRXSITHW-OLZOCXBDSA-N 0 3 286.354 3.354 20 30 CGEDHN C[C@@H](N[C@@H]1CSC1(C)C)c1ccc(OCC#N)cc1 ZINC000283499101 328117362 /nfs/dbraw/zinc/11/73/62/328117362.db2.gz YRGSMTFFZJOFND-BXUZGUMPSA-N 0 3 276.405 3.134 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000412825387 328126901 /nfs/dbraw/zinc/12/69/01/328126901.db2.gz PHLRGABVBIGKIA-RYUDHWBXSA-N 0 3 250.386 3.209 20 30 CGEDHN COc1ccccc1CCCN1CCC(C)(C#N)CC1 ZINC000272505227 328200040 /nfs/dbraw/zinc/20/00/40/328200040.db2.gz FEQNXXSRKPRLEM-UHFFFAOYSA-N 0 3 272.392 3.253 20 30 CGEDHN COc1ccc(O)c(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000271842445 328197865 /nfs/dbraw/zinc/19/78/65/328197865.db2.gz RDQLFHAOBWGCGW-UHFFFAOYSA-N 0 3 294.354 3.051 20 30 CGEDHN COc1ccccc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000274209266 328209464 /nfs/dbraw/zinc/20/94/64/328209464.db2.gz NHEPNKSHXNHUPJ-MJBXVCDLSA-N 0 3 258.365 3.428 20 30 CGEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(=O)[nH]n1 ZINC000340443316 328278044 /nfs/dbraw/zinc/27/80/44/328278044.db2.gz GGHXWLROZBBURV-CZUORRHYSA-N 0 3 296.374 3.268 20 30 CGEDHN N#CCCOCCN1CCCC[C@H]1c1ccccc1 ZINC000294585937 328281919 /nfs/dbraw/zinc/28/19/19/328281919.db2.gz MWLWNBPXYVSEFU-INIZCTEOSA-N 0 3 258.365 3.144 20 30 CGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000566741231 322136287 /nfs/dbraw/zinc/13/62/87/322136287.db2.gz UMKQZRHXQJPRFA-CYBMUJFWSA-N 0 3 285.347 3.255 20 30 CGEDHN CC(C)CC[C@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000567176317 322153126 /nfs/dbraw/zinc/15/31/26/322153126.db2.gz AVNLVYJQAVAKAC-MRXNPFEDSA-N 0 3 257.381 3.354 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000569851948 322258885 /nfs/dbraw/zinc/25/88/85/322258885.db2.gz NERNHVTTWQRTHP-GFCCVEGCSA-N 0 3 275.352 3.333 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(F)cc2F)s1 ZINC000570651854 322278907 /nfs/dbraw/zinc/27/89/07/322278907.db2.gz TUYNTSFRAKEIOW-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000570847192 322283854 /nfs/dbraw/zinc/28/38/54/322283854.db2.gz FHRGRHAWAFAVCR-AWEZNQCLSA-N 0 3 275.352 3.381 20 30 CGEDHN C[C@H](CN(Cc1ccc(C#N)o1)[C@@H](C)CO)c1ccccc1 ZINC000571722883 322306224 /nfs/dbraw/zinc/30/62/24/322306224.db2.gz VIUCGVYKJODCQL-CABCVRRESA-N 0 3 298.386 3.138 20 30 CGEDHN Cc1cnc(CCNC2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000575919529 322496397 /nfs/dbraw/zinc/49/63/97/322496397.db2.gz LUGSPVBATYKPBK-UHFFFAOYSA-N 0 3 291.398 3.392 20 30 CGEDHN C=CC[C@@H](CC)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000281775389 328502774 /nfs/dbraw/zinc/50/27/74/328502774.db2.gz WZZFZMDKJSOUNR-CMPLNLGQSA-N 0 3 251.326 3.072 20 30 CGEDHN C=CCOCCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000294022819 328546779 /nfs/dbraw/zinc/54/67/79/328546779.db2.gz HPAYTGVHBCJZDW-LSDHHAIUSA-N 0 3 299.773 3.101 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1csc(Cl)c1 ZINC000320809078 328552387 /nfs/dbraw/zinc/55/23/87/328552387.db2.gz WXPOTGSRSFCWNQ-ONGXEEELSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](OC)C(C)C ZINC000344743490 327050504 /nfs/dbraw/zinc/05/05/04/327050504.db2.gz SAHPIUSRLNSNNW-MRXNPFEDSA-N 0 3 263.381 3.012 20 30 CGEDHN Cc1nc(C)c([C@H](C)N(C)CCCSCC#N)s1 ZINC000074990487 327122805 /nfs/dbraw/zinc/12/28/05/327122805.db2.gz CHPJTLLMQPVXTF-NSHDSACASA-N 0 3 283.466 3.400 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](OC)C2CC2)cc1Cl ZINC000559332803 327160478 /nfs/dbraw/zinc/16/04/78/327160478.db2.gz DUQVTKJEEUBXKL-MRXNPFEDSA-N 0 3 295.810 3.419 20 30 CGEDHN C=CCCCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425000802 327168506 /nfs/dbraw/zinc/16/85/06/327168506.db2.gz CAHGUVFGTSWBLD-ZWKOTPCHSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CCN1CCCN(c2cccc(Cl)c2C)CC1 ZINC000518578599 327177658 /nfs/dbraw/zinc/17/76/58/327177658.db2.gz VEJYNZGSEMWZOL-UHFFFAOYSA-N 0 3 264.800 3.347 20 30 CGEDHN C=CCOc1ccc(CN2CCC(CF)CC2)cc1 ZINC000449452901 327213230 /nfs/dbraw/zinc/21/32/30/327213230.db2.gz HCBDQDJJYLXQSP-UHFFFAOYSA-N 0 3 263.356 3.433 20 30 CGEDHN C[C@]1(CNC[C@H](C#N)CCC#N)CCCc2ccccc21 ZINC000561059827 327361903 /nfs/dbraw/zinc/36/19/03/327361903.db2.gz CDPMZHTWUKBACX-MAUKXSAKSA-N 0 3 281.403 3.314 20 30 CGEDHN C=CCSCCNCc1cc(O)cc(C(F)(F)F)c1 ZINC000352836500 328812769 /nfs/dbraw/zinc/81/27/69/328812769.db2.gz MCKKBQAQFUENED-UHFFFAOYSA-N 0 3 291.338 3.420 20 30 CGEDHN C=CCC[C@H](CCC)NCc1ccc(OC)nc1OC ZINC000563920273 328836657 /nfs/dbraw/zinc/83/66/57/328836657.db2.gz DMPVSRANLSJLKN-AWEZNQCLSA-N 0 3 278.396 3.323 20 30 CGEDHN CC[C@H](O)[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000177163560 329180634 /nfs/dbraw/zinc/18/06/34/329180634.db2.gz AOUSZUOVKNCQQM-SJORKVTESA-N 0 3 291.822 3.317 20 30 CGEDHN C=CC[C@@H](C)N[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180904092 329223882 /nfs/dbraw/zinc/22/38/82/329223882.db2.gz IHYVUDWEJBZDPS-WBMJQRKESA-N 0 3 273.355 3.203 20 30 CGEDHN C=CC[C@H](C)N[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180904074 329224006 /nfs/dbraw/zinc/22/40/06/329224006.db2.gz IHYVUDWEJBZDPS-LRDDRELGSA-N 0 3 273.355 3.203 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2ccc(C)cc2)o1 ZINC000184276718 329258451 /nfs/dbraw/zinc/25/84/51/329258451.db2.gz IBOONMDDBYOCEQ-OAHLLOKOSA-N 0 3 271.360 3.282 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cncc(Br)c1 ZINC000514676982 329401062 /nfs/dbraw/zinc/40/10/62/329401062.db2.gz AJQQWTJNCZPZNS-NSHDSACASA-N 0 3 299.212 3.087 20 30 CGEDHN C=CCCCCCN1CCN(Cc2csc(C)n2)CC1 ZINC000193298231 329439845 /nfs/dbraw/zinc/43/98/45/329439845.db2.gz FXEBQMXULCEGHR-UHFFFAOYSA-N 0 3 293.480 3.316 20 30 CGEDHN C=CCSCCNCc1ccc(OCC)c(OC)c1 ZINC000222061970 329684367 /nfs/dbraw/zinc/68/43/67/329684367.db2.gz LTGXRSDTIZPWPV-UHFFFAOYSA-N 0 3 281.421 3.103 20 30 CGEDHN COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248917258 329902385 /nfs/dbraw/zinc/90/23/85/329902385.db2.gz WGAIJHXQLRLYND-BMFZPTHFSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCCOCCN[C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000421832339 330091260 /nfs/dbraw/zinc/09/12/60/330091260.db2.gz GREMVXNQLNAVQB-QGZVFWFLSA-N 0 3 293.382 3.468 20 30 CGEDHN CC[C@@H](c1ccccc1)N(CC)C(=O)[C@H](N)CCCC#N ZINC000424081564 330222185 /nfs/dbraw/zinc/22/21/85/330222185.db2.gz AHAGCAKAPWGSLX-CVEARBPZSA-N 0 3 287.407 3.007 20 30 CGEDHN CCCn1ccc2ccc(NC(=O)[C@@H](N)CCCC#N)cc21 ZINC000424118339 330244015 /nfs/dbraw/zinc/24/40/15/330244015.db2.gz DGAMZJVCFQEMFM-HNNXBMFYSA-N 0 3 298.390 3.011 20 30 CGEDHN C=CCOc1ccc(CN2[C@H](C)C[C@@H]2C)cc1OC ZINC000527529704 330258426 /nfs/dbraw/zinc/25/84/26/330258426.db2.gz UXPFOZUHZZAENT-BETUJISGSA-N 0 3 261.365 3.243 20 30 CGEDHN CCC(C#N)(CC)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000528071696 330307010 /nfs/dbraw/zinc/30/70/10/330307010.db2.gz KGLQSLIAQGJFCP-UHFFFAOYSA-N 0 3 298.390 3.380 20 30 CGEDHN C=CCn1cc(CNC[C@@H](C)c2cccc(Cl)c2)nn1 ZINC000424171667 330311742 /nfs/dbraw/zinc/31/17/42/330311742.db2.gz MMHSHQCLDYQZRT-GFCCVEGCSA-N 0 3 290.798 3.011 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000424178304 330318191 /nfs/dbraw/zinc/31/81/91/330318191.db2.gz WLHLEZTVOPRTDX-IAGOWNOFSA-N 0 3 299.418 3.055 20 30 CGEDHN C=CCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000533100474 330335480 /nfs/dbraw/zinc/33/54/80/330335480.db2.gz HZBXHURFQBTHRM-LBPRGKRZSA-N 0 3 251.757 3.369 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCCCC2)CC1 ZINC000106341197 330335624 /nfs/dbraw/zinc/33/56/24/330335624.db2.gz KBYLIZFLCKHBIJ-UHFFFAOYSA-N 0 3 293.455 3.001 20 30 CGEDHN C=C1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000533325273 330357551 /nfs/dbraw/zinc/35/75/51/330357551.db2.gz KQMXRLZYODCPPG-HNNXBMFYSA-N 0 3 299.336 3.261 20 30 CGEDHN C=C(C)COCCNCc1cnc(CC(C)C)s1 ZINC000162814640 330393650 /nfs/dbraw/zinc/39/36/50/330393650.db2.gz JIKHQUOUMWTHGT-UHFFFAOYSA-N 0 3 268.426 3.024 20 30 CGEDHN C=C(CC)CN[C@H](C)[C@H]1OCCc2sccc21 ZINC000429141538 330539096 /nfs/dbraw/zinc/53/90/96/330539096.db2.gz KLPZWVFPRALAJG-BXUZGUMPSA-N 0 3 251.395 3.306 20 30 CGEDHN N#CCC1(CNCc2ccc(F)c(Br)c2)CC1 ZINC000430037892 330557781 /nfs/dbraw/zinc/55/77/81/330557781.db2.gz AELLPSISXDELPG-UHFFFAOYSA-N 0 3 297.171 3.372 20 30 CGEDHN COc1ccc(C)cc1[C@H](C)NCC1(CC#N)CC1 ZINC000430739099 330572175 /nfs/dbraw/zinc/57/21/75/330572175.db2.gz GMFVVSSLIAWTGL-ZDUSSCGKSA-N 0 3 258.365 3.348 20 30 CGEDHN C=CCC1(C(=O)NC2CCN(CC)CC2)CCCCC1 ZINC000448601154 330724132 /nfs/dbraw/zinc/72/41/32/330724132.db2.gz PXQZAXQXLHHOBL-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN N#CCc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000439282184 330736383 /nfs/dbraw/zinc/73/63/83/330736383.db2.gz HCJFWLOQDPLZSL-GOSISDBHSA-N 0 3 284.403 3.144 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1 ZINC000442793398 330784036 /nfs/dbraw/zinc/78/40/36/330784036.db2.gz RRZCYLDYMWAZNA-ZCPGHIKRSA-N 0 3 288.366 3.328 20 30 CGEDHN C=CCN1CCC(NC(=O)C2(CC=C)CCCCC2)CC1 ZINC000448924636 330888456 /nfs/dbraw/zinc/88/84/56/330888456.db2.gz ZCJTUMQHDTUGEL-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H](c1nncn1C)C(C)C ZINC000449314596 330913893 /nfs/dbraw/zinc/91/38/93/330913893.db2.gz DKQCYQKMCPMCQP-KGLIPLIRSA-N 0 3 264.417 3.237 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449516599 330932797 /nfs/dbraw/zinc/93/27/97/330932797.db2.gz BGIHYIQLXUWFLK-ZBFHGGJFSA-N 0 3 290.363 3.151 20 30 CGEDHN COCC1(C#N)CCN(CC/C=C/c2ccccc2)CC1 ZINC000450929476 331007631 /nfs/dbraw/zinc/00/76/31/331007631.db2.gz JGFUJEZOLBTMBT-WEVVVXLNSA-N 0 3 284.403 3.342 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1cccc(C2CC2)c1 ZINC000451112372 331015926 /nfs/dbraw/zinc/01/59/26/331015926.db2.gz JDRGJJONHLLWTJ-OAHLLOKOSA-N 0 3 298.430 3.415 20 30 CGEDHN CCO[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000451479428 331031148 /nfs/dbraw/zinc/03/11/48/331031148.db2.gz MGLODZJNSHEJDV-IRXDYDNUSA-N 0 3 287.378 3.115 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000451479429 331031150 /nfs/dbraw/zinc/03/11/50/331031150.db2.gz MGLODZJNSHEJDV-SJORKVTESA-N 0 3 287.378 3.115 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(Br)c1 ZINC000451604876 331036118 /nfs/dbraw/zinc/03/61/18/331036118.db2.gz IWHKOXOOUWVWRX-GDLCADMTSA-N 0 3 296.208 3.443 20 30 CGEDHN CC[C@H]1CN(CC)CCN1CC#Cc1ccccc1Cl ZINC000451740670 331040816 /nfs/dbraw/zinc/04/08/16/331040816.db2.gz MIRSCXBEJHTFFH-INIZCTEOSA-N 0 3 290.838 3.108 20 30 CGEDHN CO[C@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000451834123 331044178 /nfs/dbraw/zinc/04/41/78/331044178.db2.gz ADSUKGVKPHUINK-IRXDYDNUSA-N 0 3 287.378 3.067 20 30 CGEDHN COC[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000452038238 331051361 /nfs/dbraw/zinc/05/13/61/331051361.db2.gz MGQUAUWZBAQYHX-INIZCTEOSA-N 0 3 286.419 3.489 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000453353145 331121097 /nfs/dbraw/zinc/12/10/97/331121097.db2.gz MRESAPLQEVDBEH-ZACQAIPSSA-N 0 3 273.376 3.093 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OCC)cc1 ZINC000453365137 331123133 /nfs/dbraw/zinc/12/31/33/331123133.db2.gz QWEKKYCFICCDLB-WQVCFCJDSA-N 0 3 261.365 3.079 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000453378189 331125272 /nfs/dbraw/zinc/12/52/72/331125272.db2.gz YSKGPSQLDZEFBW-WQVCFCJDSA-N 0 3 291.439 3.331 20 30 CGEDHN C[C@H]1CC[C@@H](CNCc2cccc(OCCCC#N)c2)O1 ZINC000453636356 331137511 /nfs/dbraw/zinc/13/75/11/331137511.db2.gz WTKDIYAQVVDPHV-YOEHRIQHSA-N 0 3 288.391 3.026 20 30 CGEDHN C=CCCc1ccccc1NC(=O)NC(C)(C)CN(C)C ZINC000455388924 331168492 /nfs/dbraw/zinc/16/84/92/331168492.db2.gz VLNQSVOGZSCORL-UHFFFAOYSA-N 0 3 289.423 3.267 20 30 CGEDHN C=CCCC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456693442 331198950 /nfs/dbraw/zinc/19/89/50/331198950.db2.gz NITSEYNWGYOYGF-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000457532941 331226191 /nfs/dbraw/zinc/22/61/91/331226191.db2.gz AUGNHIBTZJNEIM-UHFFFAOYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1ncc(Cl)cn1)C(C)C ZINC000479467103 331731816 /nfs/dbraw/zinc/73/18/16/331731816.db2.gz UMZHEXXKKYIGNT-CQSZACIVSA-N 0 3 294.830 3.241 20 30 CGEDHN C=CCCOCCNCc1cccc(Cl)c1OCC ZINC000487573047 331975640 /nfs/dbraw/zinc/97/56/40/331975640.db2.gz KQTRRNBNKBYDBT-UHFFFAOYSA-N 0 3 283.799 3.421 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc(F)cc1 ZINC000489401172 332050328 /nfs/dbraw/zinc/05/03/28/332050328.db2.gz IJMOUCPZIUVOJJ-OAHLLOKOSA-N 0 3 276.355 3.195 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000490916046 332128914 /nfs/dbraw/zinc/12/89/14/332128914.db2.gz RFLWGOZJEATMIT-NSHDSACASA-N 0 3 256.374 3.402 20 30 CGEDHN C#C[C@@H](N[C@H](C)C1CCOCC1)c1ccc(Cl)cc1 ZINC000491232134 332171388 /nfs/dbraw/zinc/17/13/88/332171388.db2.gz YNWDVLRSVGEQPL-MLGOLLRUSA-N 0 3 277.795 3.419 20 30 CGEDHN C#C[C@H](NC[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000491307696 332186916 /nfs/dbraw/zinc/18/69/16/332186916.db2.gz RGJRGJSKQQRLIR-RISCZKNCSA-N 0 3 265.809 3.357 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000491638566 332259224 /nfs/dbraw/zinc/25/92/24/332259224.db2.gz VVXRMUPEWVSOBM-OAHLLOKOSA-N 0 3 280.371 3.114 20 30 CGEDHN C#CCN(CCc1cncs1)[C@H]1CCc2ccccc21 ZINC000491651798 332264964 /nfs/dbraw/zinc/26/49/64/332264964.db2.gz JEOIZVQDEWVBCB-KRWDZBQOSA-N 0 3 282.412 3.308 20 30 CGEDHN C=CCCCN[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000513128618 333005608 /nfs/dbraw/zinc/00/56/08/333005608.db2.gz RODYQGSLCJOOSW-MRXNPFEDSA-N 0 3 279.355 3.160 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC(C)(C)C)C(C)C ZINC000514073638 333064474 /nfs/dbraw/zinc/06/44/74/333064474.db2.gz ANADFVOYYFJYMW-HNNXBMFYSA-N 0 3 295.471 3.030 20 30 CGEDHN CC(C)CN1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000178510816 333074430 /nfs/dbraw/zinc/07/44/30/333074430.db2.gz VQCKBRXNMGZRHI-UHFFFAOYSA-N 0 3 299.462 3.261 20 30 CGEDHN C=CCN1CCC(NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC000178541070 333075035 /nfs/dbraw/zinc/07/50/35/333075035.db2.gz MJBIGQPBBWVOKU-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000187502742 333171888 /nfs/dbraw/zinc/17/18/88/333171888.db2.gz UGMLAIYAQFNLGL-UHFFFAOYSA-N 0 3 261.365 3.340 20 30 CGEDHN CCC[C@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000189341619 333190618 /nfs/dbraw/zinc/19/06/18/333190618.db2.gz RCKQIRBBYJVTLU-RDJZCZTQSA-N 0 3 271.408 3.057 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2ccc(OC)cc21 ZINC000222450865 333193756 /nfs/dbraw/zinc/19/37/56/333193756.db2.gz LUELGZGSVIFNPW-QGZVFWFLSA-N 0 3 275.392 3.255 20 30 CGEDHN C=CCCCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000193326927 333248020 /nfs/dbraw/zinc/24/80/20/333248020.db2.gz VBEKGYGQUCDREG-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000523007823 333304376 /nfs/dbraw/zinc/30/43/76/333304376.db2.gz YHSUYKXBQWPCFU-OAHLLOKOSA-N 0 3 288.435 3.324 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1ccc(Cl)cc1)[C@H](C)CC ZINC000539315784 333665453 /nfs/dbraw/zinc/66/54/53/333665453.db2.gz OMCOUADXYLPHMT-MLGOLLRUSA-N 0 3 294.826 3.319 20 30 CGEDHN C[C@H]1C[C@@H]1c1ccc(CNCCOc2ccc(C#N)cc2)o1 ZINC000174561908 335158844 /nfs/dbraw/zinc/15/88/44/335158844.db2.gz SCTYCYNDFMGKAC-GUYCJALGSA-N 0 3 296.370 3.443 20 30 CGEDHN C=CCN1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC000075008018 334023544 /nfs/dbraw/zinc/02/35/44/334023544.db2.gz GGYGFNBJLQZYMI-UHFFFAOYSA-N 0 3 282.428 3.141 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000133863272 334065422 /nfs/dbraw/zinc/06/54/22/334065422.db2.gz ACBONTGNUQBYHG-ZWKOTPCHSA-N 0 3 298.430 3.113 20 30 CGEDHN CCN(C[C@H](C)C#N)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000249024585 334325006 /nfs/dbraw/zinc/32/50/06/334325006.db2.gz RGDOQFVUZFBWCJ-UONOGXRCSA-N 0 3 292.398 3.494 20 30 CGEDHN N#CC1CCC(CNCc2ccc(F)cc2F)CC1 ZINC000555935505 334492344 /nfs/dbraw/zinc/49/23/44/334492344.db2.gz XFXWAWWMRZZPHI-UHFFFAOYSA-N 0 3 264.319 3.384 20 30 CGEDHN CC(C)OCc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000572564911 334537180 /nfs/dbraw/zinc/53/71/80/334537180.db2.gz LUYUJSYWDDASHS-RHSMWYFYSA-N 0 3 272.392 3.393 20 30 CGEDHN CCN(C)c1ccc(CN2CCC(CCC#N)CC2)cn1 ZINC000567906268 334774223 /nfs/dbraw/zinc/77/42/23/334774223.db2.gz VPNMOIVKVXFSEM-UHFFFAOYSA-N 0 3 286.423 3.053 20 30 CGEDHN C=CCCCCCNC(=O)c1ccccc1CN(C)C ZINC000577412326 335350224 /nfs/dbraw/zinc/35/02/24/335350224.db2.gz NNJAMXNIVAMVQV-UHFFFAOYSA-N 0 3 274.408 3.224 20 30 CGEDHN C=C(C)COCCNCc1cc(C)ccc1OC(F)F ZINC000177903142 335405333 /nfs/dbraw/zinc/40/53/33/335405333.db2.gz IPIGHPRNXZRZGR-UHFFFAOYSA-N 0 3 285.334 3.279 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000179775029 335516657 /nfs/dbraw/zinc/51/66/57/335516657.db2.gz QWTJVNYEMHUYNO-GJZGRUSLSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCC[C@H](NCC(=O)Nc1ccncc1)c1ccccc1 ZINC000180044689 335544835 /nfs/dbraw/zinc/54/48/35/335544835.db2.gz RSSFTXVJQRAAGR-KRWDZBQOSA-N 0 3 295.386 3.317 20 30 CGEDHN C=CCC[C@@H](NCC(=O)Nc1ccncc1)c1ccccc1 ZINC000180044706 335544864 /nfs/dbraw/zinc/54/48/64/335544864.db2.gz RSSFTXVJQRAAGR-QGZVFWFLSA-N 0 3 295.386 3.317 20 30 CGEDHN N#Cc1ccc(OCCN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000181157278 335752827 /nfs/dbraw/zinc/75/28/27/335752827.db2.gz QAZYYNJFYRVKKK-GOSISDBHSA-N 0 3 296.345 3.353 20 30 CGEDHN Cc1cccc2[nH]cc(CCNC[C@H](C#N)CCC#N)c21 ZINC000581626130 336114483 /nfs/dbraw/zinc/11/44/83/336114483.db2.gz WLUYRZNNHHHDNQ-AWEZNQCLSA-N 0 3 280.375 3.052 20 30 CGEDHN Cc1cc(OCc2cccc(C#N)c2)c(C)c(C)n1 ZINC000581916654 336165218 /nfs/dbraw/zinc/16/52/18/336165218.db2.gz KJFUFXJRSANHQW-UHFFFAOYSA-N 0 3 252.317 3.458 20 30 CGEDHN Cc1ccc(OC(F)F)c(CNCC2(CC#N)CC2)c1 ZINC000430017949 500975592 /nfs/dbraw/zinc/97/55/92/500975592.db2.gz KNJWHOWGHPRVOT-UHFFFAOYSA-N 0 3 280.318 3.380 20 30 CGEDHN Cc1cc(C[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)[nH]n1 ZINC000358557649 533756729 /nfs/dbraw/zinc/75/67/29/533756729.db2.gz CHJYCMFCEBAELD-PWSUYJOCSA-N 0 3 286.354 3.011 20 30 CGEDHN Cc1cc(C[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358557649 533756732 /nfs/dbraw/zinc/75/67/32/533756732.db2.gz CHJYCMFCEBAELD-PWSUYJOCSA-N 0 3 286.354 3.011 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CC1CCC(=O)CC1 ZINC000425530984 534079885 /nfs/dbraw/zinc/07/98/85/534079885.db2.gz GPMWVJDYHFLJKU-ZDUSSCGKSA-N 0 3 270.376 3.310 20 30 CGEDHN C[C@@H]1CC[C@](CO)(N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439450786 534264179 /nfs/dbraw/zinc/26/41/79/534264179.db2.gz WYGIJUAUAYFHAW-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000347081191 534282160 /nfs/dbraw/zinc/28/21/60/534282160.db2.gz XGAZFPLPMASJMP-ZJUUUORDSA-N 0 3 284.281 3.384 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000347441815 534283341 /nfs/dbraw/zinc/28/33/41/534283341.db2.gz CAAOEIMZDQMJLQ-VWYCJHECSA-N 0 3 298.308 3.473 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000347107756 534283406 /nfs/dbraw/zinc/28/34/06/534283406.db2.gz JVVXWKPWYSZVTJ-QMTHXVAHSA-N 0 3 276.767 3.457 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000354679713 534283867 /nfs/dbraw/zinc/28/38/67/534283867.db2.gz RVBFTPVHXKCAPN-DYVFJYSZSA-N 0 3 296.345 3.385 20 30 CGEDHN C=CCOCCCN(Cc1ccccc1OC)C1CC1 ZINC000347970826 526749689 /nfs/dbraw/zinc/74/96/89/526749689.db2.gz XAJRDYITENUDEG-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000344788935 527414865 /nfs/dbraw/zinc/41/48/65/527414865.db2.gz LLXUOPSYIRFSJB-CQSZACIVSA-N 0 3 298.386 3.333 20 30 CGEDHN CC(C)(C#N)CCN[C@H](c1ccccc1)C(C)(C)CO ZINC000352350653 527468168 /nfs/dbraw/zinc/46/81/68/527468168.db2.gz SOKZMWDMVJFNNM-OAHLLOKOSA-N 0 3 274.408 3.276 20 30 CGEDHN C=CCC[C@H](NCCN1CC=CCC1)c1ccco1 ZINC000353608924 527483726 /nfs/dbraw/zinc/48/37/26/527483726.db2.gz SGWKOHLUTXHNJW-HNNXBMFYSA-N 0 3 260.381 3.138 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000299740643 567148403 /nfs/dbraw/zinc/14/84/03/567148403.db2.gz AXIBNIGGUWTGQY-JKSUJKDBSA-N 0 3 299.399 3.025 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)C3CC3)nc21 ZINC000749038420 571693453 /nfs/dbraw/zinc/69/34/53/571693453.db2.gz QVRTYWLTKVJKRN-ZYHUDNBSSA-N 0 3 267.332 3.094 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)C3CC3)[nH]c21 ZINC000749038420 571693457 /nfs/dbraw/zinc/69/34/57/571693457.db2.gz QVRTYWLTKVJKRN-ZYHUDNBSSA-N 0 3 267.332 3.094 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCCCC)CC1 ZINC000730021668 571941764 /nfs/dbraw/zinc/94/17/64/571941764.db2.gz NQYNHMJWPVXPAM-HNNXBMFYSA-N 0 3 295.471 3.295 20 30 CGEDHN CN(Cn1ccc(-c2ccc(C#N)cc2)n1)C1CCCC1 ZINC000744130345 572416813 /nfs/dbraw/zinc/41/68/13/572416813.db2.gz JGSJOYAJZRLLDN-UHFFFAOYSA-N 0 3 280.375 3.254 20 30 CGEDHN CCCCCCCC(=O)NC[C@H]1CCCCN1CC ZINC000731873228 572431120 /nfs/dbraw/zinc/43/11/20/572431120.db2.gz KVIUNTZXBCHKGN-OAHLLOKOSA-N 0 3 268.445 3.338 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)c1ccccn1 ZINC000732593697 572473284 /nfs/dbraw/zinc/47/32/84/572473284.db2.gz QJVGRNGJUVFOFA-WMLDXEAASA-N 0 3 290.366 3.453 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CNCCC(F)(F)F)cc1 ZINC000742390631 572574968 /nfs/dbraw/zinc/57/49/68/572574968.db2.gz KHTNBIILFCYMRB-JTQLQIEISA-N 0 3 272.270 3.019 20 30 CGEDHN C=C(CNCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000742718593 572611630 /nfs/dbraw/zinc/61/16/30/572611630.db2.gz QRXLDOQWVCARKS-UHFFFAOYSA-N 0 3 265.356 3.425 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC(F)(F)F)nc21 ZINC000744159867 572715590 /nfs/dbraw/zinc/71/55/90/572715590.db2.gz HPUBXSGKJLIEBT-SECBINFHSA-N 0 3 295.264 3.390 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC(F)(F)F)[nH]c21 ZINC000744159867 572715591 /nfs/dbraw/zinc/71/55/91/572715591.db2.gz HPUBXSGKJLIEBT-SECBINFHSA-N 0 3 295.264 3.390 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000735877328 572747683 /nfs/dbraw/zinc/74/76/83/572747683.db2.gz ALMPNYWZIZQKQZ-AWEZNQCLSA-N 0 3 299.418 3.231 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000735877329 572747766 /nfs/dbraw/zinc/74/77/66/572747766.db2.gz ALMPNYWZIZQKQZ-CQSZACIVSA-N 0 3 299.418 3.231 20 30 CGEDHN C#CCN(C[C@H]1COc2ccccc2O1)C1CCCCC1 ZINC000744739360 572770756 /nfs/dbraw/zinc/77/07/56/572770756.db2.gz XMMWRKBEHZMWNL-INIZCTEOSA-N 0 3 285.387 3.094 20 30 CGEDHN C#CCN(CC)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000746457976 572872782 /nfs/dbraw/zinc/87/27/82/572872782.db2.gz XIGANNHELIDTKG-NSHDSACASA-N 0 3 253.292 3.304 20 30 CGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819734761 606997637 /nfs/dbraw/zinc/99/76/37/606997637.db2.gz SJOBVWXVEJFXLZ-OAHLLOKOSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819734761 606997638 /nfs/dbraw/zinc/99/76/38/606997638.db2.gz SJOBVWXVEJFXLZ-OAHLLOKOSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819733757 607014963 /nfs/dbraw/zinc/01/49/63/607014963.db2.gz BDIXEWBKZZQXFA-DOMZBBRYSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCC[C@H](CC)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819733757 607014964 /nfs/dbraw/zinc/01/49/64/607014964.db2.gz BDIXEWBKZZQXFA-DOMZBBRYSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894242 608464483 /nfs/dbraw/zinc/46/44/83/608464483.db2.gz LHVQRHRCRTVBQZ-QWHCGFSZSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894242 608464481 /nfs/dbraw/zinc/46/44/81/608464481.db2.gz LHVQRHRCRTVBQZ-QWHCGFSZSA-N 0 3 285.395 3.262 20 30 CGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC000968735915 613307221 /nfs/dbraw/zinc/30/72/21/613307221.db2.gz VPHJQUAGRKHFGY-HNNXBMFYSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CC2CCCCCC2)CC1 ZINC000982038623 613308320 /nfs/dbraw/zinc/30/83/20/613308320.db2.gz NBRRJAXDCVFQAF-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967491875 613323243 /nfs/dbraw/zinc/32/32/43/613323243.db2.gz AVYFKZQPJOMTQP-ZBFHGGJFSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968659463 613331981 /nfs/dbraw/zinc/33/19/81/613331981.db2.gz GDBGMLDKBPBWOU-RDJZCZTQSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977449365 613341519 /nfs/dbraw/zinc/34/15/19/613341519.db2.gz JGSCGORYCKQJGZ-HOCLYGCPSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCN(CC(CC)CC)CC1 ZINC000950050752 613473776 /nfs/dbraw/zinc/47/37/76/613473776.db2.gz ADZQMZICSLVIBS-KRWDZBQOSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC000972668614 613621830 /nfs/dbraw/zinc/62/18/30/613621830.db2.gz SZCOKABCIPQCTI-QGZVFWFLSA-N 0 3 286.419 3.142 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC000971916195 613626898 /nfs/dbraw/zinc/62/68/98/613626898.db2.gz DGUWRSMWFJMBIY-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC000972668613 613637946 /nfs/dbraw/zinc/63/79/46/613637946.db2.gz SZCOKABCIPQCTI-KRWDZBQOSA-N 0 3 286.419 3.142 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC000969020649 613683922 /nfs/dbraw/zinc/68/39/22/613683922.db2.gz SYKHVJVKSMLCCA-JFIYKMOQSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC000968913449 613683979 /nfs/dbraw/zinc/68/39/79/613683979.db2.gz GMXGJAOIKXXJDV-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000969020651 613684110 /nfs/dbraw/zinc/68/41/10/613684110.db2.gz SYKHVJVKSMLCCA-JZXOWHBKSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000941157527 613746031 /nfs/dbraw/zinc/74/60/31/613746031.db2.gz DHAYLQYOCMUTTN-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008283 613784381 /nfs/dbraw/zinc/78/43/81/613784381.db2.gz MBHFLKDXIULDTH-CABCVRRESA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@H](C)C1 ZINC000943290674 613788275 /nfs/dbraw/zinc/78/82/75/613788275.db2.gz YRLQOIVSPDTXKI-PWSUYJOCSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)=C1CCC1 ZINC000960263419 613871085 /nfs/dbraw/zinc/87/10/85/613871085.db2.gz WSQBKHRRIBBTDS-QZTJIDSGSA-N 0 3 296.414 3.045 20 30 CGEDHN C#CCCCCNCc1cscc1Br ZINC000286410720 617659044 /nfs/dbraw/zinc/65/90/44/617659044.db2.gz HWSQHAGFYVVTNA-UHFFFAOYSA-N 0 3 272.211 3.404 20 30 CGEDHN C#CCC1(NCc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000933298024 618193825 /nfs/dbraw/zinc/19/38/25/618193825.db2.gz AXMFHTRJNWGRRU-UHFFFAOYSA-N 0 3 278.739 3.284 20 30 CGEDHN C=CCN(C(=O)c1ccc(NC2=NCCC2)cc1)C(C)C ZINC000900565963 620799349 /nfs/dbraw/zinc/79/93/49/620799349.db2.gz LTEZJWGDQPOBRQ-UHFFFAOYSA-N 0 3 285.391 3.327 20 30 CGEDHN CCN(C)c1ccc(C=NN[C@@H]2CCCC2(C)C)cn1 ZINC000782301675 618753770 /nfs/dbraw/zinc/75/37/70/618753770.db2.gz QXMHTMWGNRTQRX-CQSZACIVSA-N 0 3 274.412 3.040 20 30 CGEDHN CCCCCCCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177009622 618771890 /nfs/dbraw/zinc/77/18/90/618771890.db2.gz HEYQKUFGIIFEDZ-CABCVRRESA-N 0 3 289.485 3.244 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@H](c1ccco1)N1CCCC1 ZINC000892431621 618777421 /nfs/dbraw/zinc/77/74/21/618777421.db2.gz UBUMIFFLBJBFDH-GOSISDBHSA-N 0 3 294.398 3.058 20 30 CGEDHN C#CCCCCNCc1nc(C(C)(C)C)cs1 ZINC000229678061 618865960 /nfs/dbraw/zinc/86/59/60/618865960.db2.gz IPBOLVWPRAXDNT-UHFFFAOYSA-N 0 3 250.411 3.334 20 30 CGEDHN C#C[C@H](NCc1cc(OC)c(OC)cc1SC)C(C)C ZINC000312159712 619031636 /nfs/dbraw/zinc/03/16/36/619031636.db2.gz ITFZLXVMLVEXOD-ZDUSSCGKSA-N 0 3 293.432 3.173 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000893301289 619078262 /nfs/dbraw/zinc/07/82/62/619078262.db2.gz AVHJUAJCDALBSW-LLVKDONJSA-N 0 3 294.351 3.143 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000925704153 619153870 /nfs/dbraw/zinc/15/38/70/619153870.db2.gz ILPFLQQKKMUHCB-STQMWFEESA-N 0 3 250.390 3.254 20 30 CGEDHN CC(C)Cc1ccc(CN2CCC(CC#N)CC2)cn1 ZINC000893488157 619190262 /nfs/dbraw/zinc/19/02/62/619190262.db2.gz SGPNNVQVNFRFCS-UHFFFAOYSA-N 0 3 271.408 3.406 20 30 CGEDHN C=C(C)[C@@H](N[C@H](C)COCCOC)c1ccc(F)c(F)c1 ZINC000893667820 619275774 /nfs/dbraw/zinc/27/57/74/619275774.db2.gz HDMSGCKNNGUFJS-MLGOLLRUSA-N 0 3 299.361 3.223 20 30 CGEDHN CCN(Cc1n[nH]c(C)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000893950754 619339434 /nfs/dbraw/zinc/33/94/34/619339434.db2.gz AHPDRLPVLRXSFV-AWEZNQCLSA-N 0 3 282.391 3.481 20 30 CGEDHN CC1(C)COC[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000894357832 619503427 /nfs/dbraw/zinc/50/34/27/619503427.db2.gz BHMLQAPSMBWMFN-LSDHHAIUSA-N 0 3 258.365 3.046 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(Cl)c(Br)c1 ZINC000166489429 619796043 /nfs/dbraw/zinc/79/60/43/619796043.db2.gz NKLHFSFGAPAKAC-MRVPVSSYSA-N 0 3 272.573 3.214 20 30 CGEDHN C[C@@H](CCC#N)CN1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000895408375 619822636 /nfs/dbraw/zinc/82/26/36/619822636.db2.gz AZEJDRIRVLDFMC-XJKSGUPXSA-N 0 3 280.412 3.122 20 30 CGEDHN Cc1ccc(C2=NO[C@@H](CN[C@H](C)CC(C)(C)C#N)C2)cc1 ZINC000895976410 619917102 /nfs/dbraw/zinc/91/71/02/619917102.db2.gz GJONGERKQXNLPC-GDBMZVCRSA-N 0 3 299.418 3.406 20 30 CGEDHN C#Cc1cncc(-c2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)c1 ZINC000896560287 620027297 /nfs/dbraw/zinc/02/72/97/620027297.db2.gz OMPKSMHARQTVDS-UPJWGTAASA-N 0 3 296.374 3.047 20 30 CGEDHN CC[C@@H]1OCC[C@H]1/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000840709156 620099156 /nfs/dbraw/zinc/09/91/56/620099156.db2.gz BIBFYXXPQMSDAS-YYXRTCSZSA-N 0 3 290.407 3.225 20 30 CGEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)N(C)c1ccccc1 ZINC000902746805 621423562 /nfs/dbraw/zinc/42/35/62/621423562.db2.gz OTWKKLZSRNDNJU-CABCVRRESA-N 0 3 294.402 3.129 20 30 CGEDHN C[C@H](NCCc1ccc(F)cc1F)c1cc(C#N)ccn1 ZINC000902799340 621452896 /nfs/dbraw/zinc/45/28/96/621452896.db2.gz BVVFZTSSWHEVSE-NSHDSACASA-N 0 3 287.313 3.125 20 30 CGEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)Oc1cccc(F)c1 ZINC000902820322 621455427 /nfs/dbraw/zinc/45/54/27/621455427.db2.gz AZGICRYRKJPBQC-CHWSQXEVSA-N 0 3 299.349 3.210 20 30 CGEDHN Cc1noc(C)c1[C@H](C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902886167 621485002 /nfs/dbraw/zinc/48/50/02/621485002.db2.gz LWKJKBKVLQBEFS-GHMZBOCLSA-N 0 3 284.363 3.012 20 30 CGEDHN C=CCC[C@@H](NCc1ccn(CC)n1)[C@]1(C)CCCCO1 ZINC000903020433 621541720 /nfs/dbraw/zinc/54/17/20/621541720.db2.gz ZSYMRKPCZKIGHK-SJORKVTESA-N 0 3 291.439 3.287 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1cc(C#N)ccn1)C1CCCCC1 ZINC000903055557 621545686 /nfs/dbraw/zinc/54/56/86/621545686.db2.gz AKYZXJFSFZHDBS-DYVFJYSZSA-N 0 3 287.407 3.199 20 30 CGEDHN Cc1ccc(C[C@H](NCC2(C#N)CC2)C(C)C)cc1 ZINC000903105440 621578626 /nfs/dbraw/zinc/57/86/26/621578626.db2.gz CIXXABUFBGFNEN-INIZCTEOSA-N 0 3 256.393 3.456 20 30 CGEDHN C=CCC[C@@H](NCC1(C#N)CCCC1)[C@@H]1CCCO1 ZINC000903109932 621583523 /nfs/dbraw/zinc/58/35/23/621583523.db2.gz XMKJYHOMZCKMLZ-CABCVRRESA-N 0 3 262.397 3.174 20 30 CGEDHN C=CCC[C@H](NCC1(C#N)CCCC1)[C@H]1CCCO1 ZINC000903109937 621583808 /nfs/dbraw/zinc/58/38/08/621583808.db2.gz XMKJYHOMZCKMLZ-LSDHHAIUSA-N 0 3 262.397 3.174 20 30 CGEDHN Cc1ccc(O)c([C@@H](C)NCC2(C#N)CCCC2)c1 ZINC000903109741 621583933 /nfs/dbraw/zinc/58/39/33/621583933.db2.gz UEVYNIJCHMALOZ-CYBMUJFWSA-N 0 3 258.365 3.435 20 30 CGEDHN C=CCC[C@@H](CC)NCc1cn(C)nc1Br ZINC000903188545 621627186 /nfs/dbraw/zinc/62/71/86/621627186.db2.gz FPXYAKPKVJUTEP-LLVKDONJSA-N 0 3 286.217 3.017 20 30 CGEDHN C=CCNCc1cc(-c2cc(C)nn2CC)ccc1F ZINC000904808564 621985386 /nfs/dbraw/zinc/98/53/86/621985386.db2.gz QSQAXXFRAUZWBK-UHFFFAOYSA-N 0 3 273.355 3.293 20 30 CGEDHN CCSc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905085511 622033886 /nfs/dbraw/zinc/03/38/86/622033886.db2.gz NVJIAOXJGSBVCU-XNFYSYIQSA-N 0 3 285.372 3.231 20 30 CGEDHN CC1/C(=C/c2ccc(C3CCC3)cc2)C(=O)c2ncnn21 ZINC000905085647 622033920 /nfs/dbraw/zinc/03/39/20/622033920.db2.gz OWRBEWRDQJMHSA-PDICVPPASA-N 0 3 279.343 3.387 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1CCC ZINC000912238465 622619055 /nfs/dbraw/zinc/61/90/55/622619055.db2.gz ZROZKYSAXTUQIR-AWEZNQCLSA-N 0 3 260.381 3.261 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(OCCC)c1 ZINC000912331583 622633204 /nfs/dbraw/zinc/63/32/04/622633204.db2.gz MHVFGSCLMCIIKE-HNNXBMFYSA-N 0 3 276.380 3.098 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000912352193 622638308 /nfs/dbraw/zinc/63/83/08/622638308.db2.gz MERXCDFUDHHITB-GOEBONIOSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@@H]12 ZINC000992423982 623554672 /nfs/dbraw/zinc/55/46/72/623554672.db2.gz ONBDKFYOSBPFIH-YFHUEUNASA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@H]12 ZINC000992474297 623583967 /nfs/dbraw/zinc/58/39/67/623583967.db2.gz ZYUKZNOHYMVYKL-HKUYNNGSSA-N 0 3 298.430 3.216 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993151429 623877122 /nfs/dbraw/zinc/87/71/22/623877122.db2.gz GEECRSXWLSVXPC-DOTOQJQBSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993196469 623941325 /nfs/dbraw/zinc/94/13/25/623941325.db2.gz INLQXODTBHEABC-WBVHZDCISA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993327669 624025954 /nfs/dbraw/zinc/02/59/54/624025954.db2.gz NJWPZZWGXBDIBC-DOMZBBRYSA-N 0 3 292.448 3.215 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccccc2F)nc(C)n1 ZINC000916880148 624221185 /nfs/dbraw/zinc/22/11/85/624221185.db2.gz MFJVOELSBSFMFJ-DANTVBBOSA-N 0 3 295.317 3.122 20 30 CGEDHN C=C(C)CN(C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000181255186 624834531 /nfs/dbraw/zinc/83/45/31/624834531.db2.gz QLFHPYQULWMOQC-UHFFFAOYSA-N 0 3 278.421 3.468 20 30 CGEDHN C=CCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000183173828 625051618 /nfs/dbraw/zinc/05/16/18/625051618.db2.gz GZZORRYOJGRZKY-MRXNPFEDSA-N 0 3 273.376 3.160 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001001390897 625896003 /nfs/dbraw/zinc/89/60/03/625896003.db2.gz WNECYMDYSAOMQD-JCNLHEQBSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC001001485870 625897733 /nfs/dbraw/zinc/89/77/33/625897733.db2.gz FBZOGGRLRYAVIY-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN COc1cc(CNC(C)(C)/C=C/Cl)ccc1C#N ZINC000922649402 626025725 /nfs/dbraw/zinc/02/57/25/626025725.db2.gz VGBWBQWQUYAFBY-VOTSOKGWSA-N 0 3 264.756 3.188 20 30 CGEDHN C#CCC1(NCc2cc(C(OC)OC)ccc2F)CCC1 ZINC000922997230 626117185 /nfs/dbraw/zinc/11/71/85/626117185.db2.gz HDOWRNKZUAYXLK-UHFFFAOYSA-N 0 3 291.366 3.153 20 30 CGEDHN N#CC(C(=O)C1CC(F)(F)C1)c1ccc2ccccc2n1 ZINC000753796973 626466193 /nfs/dbraw/zinc/46/61/93/626466193.db2.gz BBPPBEQZMQIQGC-LBPRGKRZSA-N 0 3 286.281 3.456 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc3ccccc3n2)CN1C1CC1 ZINC000753955667 626470132 /nfs/dbraw/zinc/47/01/32/626470132.db2.gz SAJHHCWMUZZKME-LBPRGKRZSA-N 0 3 280.375 3.259 20 30 CGEDHN CC(C)[C@H]1C[C@H](NCc2cc(C#N)ccc2F)CS1 ZINC000754143142 626560363 /nfs/dbraw/zinc/56/03/63/626560363.db2.gz ILTIXSZXSYGHAL-DZGCQCFKSA-N 0 3 278.396 3.317 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756733606 626728691 /nfs/dbraw/zinc/72/86/91/626728691.db2.gz RBBMLVDMGATTPD-XVKPBYJWSA-N 0 3 255.720 3.422 20 30 CGEDHN C#CC[C@@H](NCc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000756995802 626746193 /nfs/dbraw/zinc/74/61/93/626746193.db2.gz AJZNWHSKSIFJJS-QGZVFWFLSA-N 0 3 275.355 3.417 20 30 CGEDHN C[C@H](CCC#N)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000839573850 626762910 /nfs/dbraw/zinc/76/29/10/626762910.db2.gz GYYFUUMGBYAMCO-CYBMUJFWSA-N 0 3 295.427 3.058 20 30 CGEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc[nH]1 ZINC000760446823 626970907 /nfs/dbraw/zinc/97/09/07/626970907.db2.gz XWFKKPRXALYXIE-QWHCGFSZSA-N 0 3 269.348 3.156 20 30 CGEDHN C#CCN(Cc1cc(C)nc2ccccc12)C1CC1 ZINC000763949096 627186619 /nfs/dbraw/zinc/18/66/19/627186619.db2.gz AFILAEATMUQSCV-UHFFFAOYSA-N 0 3 250.345 3.141 20 30 CGEDHN C=CC[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccncc1 ZINC000766019351 627287553 /nfs/dbraw/zinc/28/75/53/627287553.db2.gz MAHBZIAXCJSQAX-HZPDHXFCSA-N 0 3 282.391 3.100 20 30 CGEDHN C[C@H](CC(F)(F)F)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000766477491 627335205 /nfs/dbraw/zinc/33/52/05/627335205.db2.gz CUYGBBZJAVDEPY-MNOVXSKESA-N 0 3 286.297 3.408 20 30 CGEDHN Cc1cc(CN[C@@H](CCO)c2cccs2)ccc1C#N ZINC000767691979 627429228 /nfs/dbraw/zinc/42/92/28/627429228.db2.gz QSCFLZHBBIHHKB-HNNXBMFYSA-N 0 3 286.400 3.142 20 30 CGEDHN C#C[C@H](C)N(C)CCOc1ccc(Cl)cc1Cl ZINC000769961048 627592644 /nfs/dbraw/zinc/59/26/44/627592644.db2.gz NCZUHBJQCSIOAE-JTQLQIEISA-N 0 3 272.175 3.326 20 30 CGEDHN C=CCN(CCOC)Cc1cc(C)cc(Br)c1 ZINC000775114088 628065692 /nfs/dbraw/zinc/06/56/92/628065692.db2.gz AFMHBXADGOLYED-UHFFFAOYSA-N 0 3 298.224 3.392 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(OC2CCCC2)c1 ZINC000775183026 628070023 /nfs/dbraw/zinc/07/00/23/628070023.db2.gz GHEHDSSTPAVCBP-CQSZACIVSA-N 0 3 257.377 3.462 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cccc(C)c1C)[C@@H]1CCCO1 ZINC000775571574 628108253 /nfs/dbraw/zinc/10/82/53/628108253.db2.gz IKRFQJAUEHHPQY-PVAVHDDUSA-N 0 3 257.377 3.135 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cc(C)ccc1C)[C@@H]1CCCO1 ZINC000775574473 628109703 /nfs/dbraw/zinc/10/97/03/628109703.db2.gz PNBJPFPMCIQLIS-XIRDDKMYSA-N 0 3 257.377 3.135 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(C#N)c(F)c1 ZINC000776728530 628227853 /nfs/dbraw/zinc/22/78/53/628227853.db2.gz IBYMYXDGHYSMKC-LBPRGKRZSA-N 0 3 279.318 3.420 20 30 CGEDHN C#CCCCCCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000780699431 628509721 /nfs/dbraw/zinc/50/97/21/628509721.db2.gz HVZNPCIZSWCKQT-UHFFFAOYSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCN(Cc1cnn(Cc2ccc(F)cc2)c1)C(C)C ZINC000783530099 628722766 /nfs/dbraw/zinc/72/27/66/628722766.db2.gz SZUBHPXGYRJCMB-UHFFFAOYSA-N 0 3 287.382 3.467 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC1(SC)CC1 ZINC000788523650 629062835 /nfs/dbraw/zinc/06/28/35/629062835.db2.gz GMGCNQRYWAQKHZ-UHFFFAOYSA-N 0 3 295.835 3.337 20 30 CGEDHN C=CCCCN[C@H]1COCc2cccc(Cl)c21 ZINC000788797899 629082905 /nfs/dbraw/zinc/08/29/05/629082905.db2.gz NHQLITYKXLADNT-ZDUSSCGKSA-N 0 3 251.757 3.467 20 30 CGEDHN C#CCN(C[C@@H]1CC[C@H](C)O1)[C@@H]1CCc2ccccc21 ZINC000789308718 629123006 /nfs/dbraw/zinc/12/30/06/629123006.db2.gz AZCAEARBAGOVHQ-QILLFSRXSA-N 0 3 269.388 3.177 20 30 CGEDHN C=CCC[C@@H](NC[C@H](O)c1ccco1)c1ccco1 ZINC000789744298 629165329 /nfs/dbraw/zinc/16/53/29/629165329.db2.gz RKHQGVRZCWTAMO-OLZOCXBDSA-N 0 3 261.321 3.203 20 30 CGEDHN C=CC[C@H](NCc1ccc(N(C)CC)nc1)c1ccncc1 ZINC000790964627 629243900 /nfs/dbraw/zinc/24/39/00/629243900.db2.gz AFOIOUYMGSBOPI-KRWDZBQOSA-N 0 3 296.418 3.340 20 30 CGEDHN Cc1c(F)nccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000862351086 629345872 /nfs/dbraw/zinc/34/58/72/629345872.db2.gz GENBLHAADRLMRE-MRXNPFEDSA-N 0 3 281.334 3.178 20 30 CGEDHN CCCCCCCCCN1CCN(C(C)=O)C[C@@H]1C ZINC000792238829 629351534 /nfs/dbraw/zinc/35/15/34/629351534.db2.gz ZTSIXEOSHXACPE-HNNXBMFYSA-N 0 3 268.445 3.290 20 30 CGEDHN C#C[C@H](CC)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000862363303 629352506 /nfs/dbraw/zinc/35/25/06/629352506.db2.gz MAQDYTJXHKMWFF-GFCCVEGCSA-N 0 3 271.282 3.215 20 30 CGEDHN C#CCOc1ccccc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473726 629383633 /nfs/dbraw/zinc/38/36/33/629383633.db2.gz ZPVDVBXVXODECN-CVEARBPZSA-N 0 3 287.428 3.169 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@@H](C)c1nnc2n1CCC2 ZINC000793586095 629487157 /nfs/dbraw/zinc/48/71/57/629487157.db2.gz FOIXQGVRULKAPN-KGLIPLIRSA-N 0 3 276.428 3.400 20 30 CGEDHN C#CCSCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794817813 629581608 /nfs/dbraw/zinc/58/16/08/629581608.db2.gz RCYPDVKLZUXPIK-AWEZNQCLSA-N 0 3 263.406 3.108 20 30 CGEDHN CC#Cc1cccc(-c2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000863691490 629647777 /nfs/dbraw/zinc/64/77/77/629647777.db2.gz QUYWFUZQHRMPFV-IBGZPJMESA-N 0 3 277.367 3.386 20 30 CGEDHN C=CC[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccncc1 ZINC000796771957 629830363 /nfs/dbraw/zinc/83/03/63/629830363.db2.gz MZSLGYFHJGTQIE-GJZGRUSLSA-N 0 3 268.364 3.089 20 30 CGEDHN C=CC[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccncc1 ZINC000796771958 629830718 /nfs/dbraw/zinc/83/07/18/629830718.db2.gz MZSLGYFHJGTQIE-HUUCEWRRSA-N 0 3 268.364 3.089 20 30 CGEDHN C=C(C)COCCNCc1cc2cccc(OC)c2o1 ZINC000125776286 634790758 /nfs/dbraw/zinc/79/07/58/634790758.db2.gz QCWKLFGDKSJRJL-UHFFFAOYSA-N 0 3 275.348 3.124 20 30 CGEDHN O=C1C=C(NNc2cccc3ccccc32)C2CCCN12 ZINC000799479318 630188042 /nfs/dbraw/zinc/18/80/42/630188042.db2.gz NDYPLFRQSNIWOK-MRXNPFEDSA-N 0 3 279.343 3.002 20 30 CGEDHN C[C@H](C#N)OCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000801923201 630367760 /nfs/dbraw/zinc/36/77/60/630367760.db2.gz BBWJUCHFTPGKJA-XJKCOSOUSA-N 0 3 276.355 3.137 20 30 CGEDHN CC[C@@H]1CCCCN1CCNc1nc(Cl)c(C#N)s1 ZINC000804455568 630528851 /nfs/dbraw/zinc/52/88/51/630528851.db2.gz XOAPMMWBZSIHOV-SNVBAGLBSA-N 0 3 298.843 3.345 20 30 CGEDHN C=CCCCCCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000807571278 630593400 /nfs/dbraw/zinc/59/34/00/630593400.db2.gz HOYZCCQZYHJXHO-INIZCTEOSA-N 0 3 293.455 3.001 20 30 CGEDHN C#CCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699520 630666645 /nfs/dbraw/zinc/66/66/45/630666645.db2.gz IIXNGIOLBMJYTO-NSHDSACASA-N 0 3 251.757 3.418 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccn(CC)c2)cc1 ZINC000809651403 630774190 /nfs/dbraw/zinc/77/41/90/630774190.db2.gz ILZWLADCTGXUEF-UHFFFAOYSA-N 0 3 252.361 3.121 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(OCCC)c1)C(C)C ZINC000809685205 630781006 /nfs/dbraw/zinc/78/10/06/630781006.db2.gz FYYFHEQAWONETM-OAHLLOKOSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@H](NCc1cc(CC=C)c(O)c(OC)c1)C(C)(C)C ZINC000809781245 630806319 /nfs/dbraw/zinc/80/63/19/630806319.db2.gz KPVYSVMLAYKSSW-INIZCTEOSA-N 0 3 287.403 3.267 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810034599 630832338 /nfs/dbraw/zinc/83/23/38/630832338.db2.gz VZEAFOYLWLRNAW-OAHLLOKOSA-N 0 3 280.412 3.086 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCCSC3)nc21 ZINC000810590589 630898931 /nfs/dbraw/zinc/89/89/31/630898931.db2.gz QCKUXLSXTUEHFO-NWDGAFQWSA-N 0 3 299.399 3.191 20 30 CGEDHN C#C[C@@H](C)NC/C(C)=C\c1ccccc1OC(F)F ZINC000811505121 631076770 /nfs/dbraw/zinc/07/67/70/631076770.db2.gz FJPKPLMQXDHUSA-UCQJPZFISA-N 0 3 265.303 3.303 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900982 631330824 /nfs/dbraw/zinc/33/08/24/631330824.db2.gz YXCWNGRYMVUBAI-CABCVRRESA-N 0 3 299.418 3.059 20 30 CGEDHN CO[C@](C)(C(=O)C(C#N)c1nccc2ccccc21)C1CC1 ZINC000813089293 631350906 /nfs/dbraw/zinc/35/09/06/631350906.db2.gz AVAPWAUQRCEHAZ-YJBOKZPZSA-N 0 3 294.354 3.226 20 30 CGEDHN c1cc2c3c(c1)C(=NNC1CCCC1)CC[C@@H]3CN2 ZINC000814832768 631651689 /nfs/dbraw/zinc/65/16/89/631651689.db2.gz MWFIKNLPZQWKIQ-LLVKDONJSA-N 0 3 255.365 3.226 20 30 CGEDHN Nc1ccc2c(c1)C(=NNCC1CCCC1)CCC2 ZINC000814933510 631688805 /nfs/dbraw/zinc/68/88/05/631688805.db2.gz PYSDGJYGPYXUPD-UHFFFAOYSA-N 0 3 257.381 3.089 20 30 CGEDHN CO[C@@H]1CCC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000815915513 631834289 /nfs/dbraw/zinc/83/42/89/631834289.db2.gz QWCLUHZUMRKDDP-UPJWGTAASA-N 0 3 298.342 3.209 20 30 CGEDHN C#CCSCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823904327 633167620 /nfs/dbraw/zinc/16/76/20/633167620.db2.gz BQBNCKOTSISBGU-LLVKDONJSA-N 0 3 285.334 3.047 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCc3cccc([O-])c31)C2 ZINC000866616738 633216136 /nfs/dbraw/zinc/21/61/36/633216136.db2.gz UFUJYEONLCSSPO-IRXDYDNUSA-N 0 3 290.366 3.008 20 30 CGEDHN CC[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1[O-] ZINC000866617433 633217208 /nfs/dbraw/zinc/21/72/08/633217208.db2.gz JIOMNOKOPZNPGL-FUHWJXTLSA-N 0 3 292.382 3.472 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000876607240 634866920 /nfs/dbraw/zinc/86/69/20/634866920.db2.gz JWZZRMQZKZRIGE-SMDDNHRTSA-N 0 3 298.789 3.205 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H](CC)c1ccccc1 ZINC000876598706 634865468 /nfs/dbraw/zinc/86/54/68/634865468.db2.gz OVGBHPHSZLDAHW-LSDHHAIUSA-N 0 3 294.826 3.456 20 30 CGEDHN C=CCN(Cc1ccccc1OCCCCO)C(C)C ZINC000876597183 634865575 /nfs/dbraw/zinc/86/55/75/634865575.db2.gz MGTANZPDCWXXAK-UHFFFAOYSA-N 0 3 277.408 3.234 20 30 CGEDHN C=C(CC)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825221551 633336569 /nfs/dbraw/zinc/33/65/69/633336569.db2.gz RJFDBFVWSYARHO-UHFFFAOYSA-N 0 3 254.717 3.304 20 30 CGEDHN C#Cc1cccc(CNCc2sc(C)nc2C)c1 ZINC000825226252 633337346 /nfs/dbraw/zinc/33/73/46/633337346.db2.gz FHGRXPYUXMBVTD-UHFFFAOYSA-N 0 3 256.374 3.031 20 30 CGEDHN C#C[C@H](NCc1ccc(O[C@@H](C)COC)cc1)C(C)(C)C ZINC000825939655 633390130 /nfs/dbraw/zinc/39/01/30/633390130.db2.gz FQKIRPCTFUZSOZ-YOEHRIQHSA-N 0 3 289.419 3.238 20 30 CGEDHN CN(C)c1ccc(/C=C\CN2CCC[C@H](CC#N)C2)cc1 ZINC000826861328 633438410 /nfs/dbraw/zinc/43/84/10/633438410.db2.gz DWIREGWWKQEKEB-MAVJXHJTSA-N 0 3 283.419 3.391 20 30 CGEDHN C#C[C@H](C)NCc1ccc(OCc2ccccc2)cc1 ZINC000122994396 633539013 /nfs/dbraw/zinc/53/90/13/633539013.db2.gz IWQQTYFAWYLFGW-HNNXBMFYSA-N 0 3 265.356 3.377 20 30 CGEDHN C#CC[C@H]1CCCN(CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000829768575 633779116 /nfs/dbraw/zinc/77/91/16/633779116.db2.gz GNISKSFXEBHKNW-KRWDZBQOSA-N 0 3 298.430 3.163 20 30 CGEDHN CN(C)c1ccc(/C=C\C=NNC[C@@H]2CCSC2)cc1 ZINC000834979029 634302455 /nfs/dbraw/zinc/30/24/55/634302455.db2.gz FEBFIJOBOJDUNC-VHFBNCTDSA-N 0 3 289.448 3.094 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(N)cc(F)c1 ZINC000873289759 634322908 /nfs/dbraw/zinc/32/29/08/634322908.db2.gz XMAJKVKIQRVWTI-GOSISDBHSA-N 0 3 295.361 3.447 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000876593101 634864232 /nfs/dbraw/zinc/86/42/32/634864232.db2.gz XOMYTELZAVRTNJ-LSDHHAIUSA-N 0 3 292.810 3.128 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1ccc(CC)cc1 ZINC000876688171 634881043 /nfs/dbraw/zinc/88/10/43/634881043.db2.gz VVZNZQCMVQUUNP-CQSZACIVSA-N 0 3 294.826 3.070 20 30 CGEDHN N#Cc1cnc(Cl)c(CN2CCc3ccccc3CC2)c1 ZINC000876734682 634887646 /nfs/dbraw/zinc/88/76/46/634887646.db2.gz WJZRWGTWZJRNGV-UHFFFAOYSA-N 0 3 297.789 3.207 20 30 CGEDHN C#CCCCCCCN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000876778894 634897498 /nfs/dbraw/zinc/89/74/98/634897498.db2.gz RNKKNFLMCPRFJK-HNNXBMFYSA-N 0 3 286.410 3.231 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000876976003 634942273 /nfs/dbraw/zinc/94/22/73/634942273.db2.gz KWNLRSHHOZCENE-LSDHHAIUSA-N 0 3 298.858 3.275 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCC[C@H]2CCCCO2)c1 ZINC000877352306 635029863 /nfs/dbraw/zinc/02/98/63/635029863.db2.gz DEUKERHMZHOFOG-CQSZACIVSA-N 0 3 293.798 3.046 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(Br)nc1 ZINC000840788088 635053110 /nfs/dbraw/zinc/05/31/10/635053110.db2.gz VSEVKDQPBUQICK-SNVBAGLBSA-N 0 3 296.212 3.435 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)cnc1Cl)[C@H]1CCCCO1 ZINC000877618650 635116040 /nfs/dbraw/zinc/11/60/40/635116040.db2.gz BJECUVJVYRXCID-ZIAGYGMSSA-N 0 3 293.798 3.044 20 30 CGEDHN CN(CCc1cccc(C#N)c1)C[C@H]1CC1(Cl)Cl ZINC000877704188 635156005 /nfs/dbraw/zinc/15/60/05/635156005.db2.gz FKLKDNWEHHSYBQ-CYBMUJFWSA-N 0 3 283.202 3.226 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2n[nH]cc21 ZINC000841760278 635233597 /nfs/dbraw/zinc/23/35/97/635233597.db2.gz DNMXIKGCZMGOEN-IRXDYDNUSA-N 0 3 292.386 3.326 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1ccc(C#N)cc1F ZINC000878407450 635492549 /nfs/dbraw/zinc/49/25/49/635492549.db2.gz SATSGWPMAJXIIY-OCCSQVGLSA-N 0 3 288.366 3.450 20 30 CGEDHN C=C(Br)CNC[C@@H]1C[C@@H]1c1ccccc1 ZINC000127618280 635741555 /nfs/dbraw/zinc/74/15/55/635741555.db2.gz ZMQBRISEPHVCAQ-QWHCGFSZSA-N 0 3 266.182 3.288 20 30 CGEDHN C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000879648930 635827179 /nfs/dbraw/zinc/82/71/79/635827179.db2.gz GNHZIEQVJFLDMM-CQSZACIVSA-N 0 3 296.370 3.384 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844433401 635899006 /nfs/dbraw/zinc/89/90/06/635899006.db2.gz FXSZHJZWONVCPO-AWEZNQCLSA-N 0 3 262.303 3.179 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844435417 635899873 /nfs/dbraw/zinc/89/98/73/635899873.db2.gz DCGJKTYABJQRLK-HNNXBMFYSA-N 0 3 292.329 3.210 20 30 CGEDHN CCc1ccc(CN2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000880249288 635957058 /nfs/dbraw/zinc/95/70/58/635957058.db2.gz VHNNHNLXQKHEFA-MOPGFXCFSA-N 0 3 297.446 3.059 20 30 CGEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000845966169 636124941 /nfs/dbraw/zinc/12/49/41/636124941.db2.gz GABRZJIQRLJJQS-TZMCWYRMSA-N 0 3 261.365 3.235 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)CCCC1 ZINC000846011686 636129148 /nfs/dbraw/zinc/12/91/48/636129148.db2.gz XPUJJBQUNCDHIM-AGIUHOORSA-N 0 3 282.478 3.040 20 30 CGEDHN Cc1ccc(NC[C@@H](c2ccsc2)N(C)C)c(C#N)n1 ZINC000881794773 636200475 /nfs/dbraw/zinc/20/04/75/636200475.db2.gz MZTCMYBMVNFFDT-HNNXBMFYSA-N 0 3 286.404 3.038 20 30 CGEDHN CC(C)c1nccnc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848409647 636569709 /nfs/dbraw/zinc/56/97/09/636569709.db2.gz BANBVGYUJQGZIN-AWEZNQCLSA-N 0 3 287.411 3.016 20 30 CGEDHN C=CCCC[C@@H](N[C@@H](CC)C(=O)NC)c1ccccc1 ZINC000883228772 636599930 /nfs/dbraw/zinc/59/99/30/636599930.db2.gz UDEBJLQPHRBWJJ-JKSUJKDBSA-N 0 3 274.408 3.198 20 30 CGEDHN N#Cc1sc(N[C@@H]2CCCN3CCCC[C@H]23)nc1Cl ZINC000848785269 636656955 /nfs/dbraw/zinc/65/69/55/636656955.db2.gz KDCXTRFPYJAPJG-NXEZZACHSA-N 0 3 296.827 3.097 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1ccc(CSC(F)F)o1 ZINC000883401777 636743411 /nfs/dbraw/zinc/74/34/11/636743411.db2.gz YBNJXXCYNBCKKI-JTQLQIEISA-N 0 3 291.363 3.152 20 30 CGEDHN C=CCC1(O)CCN(c2ccnc3cc(OC)ccc32)CC1 ZINC000884724055 637137996 /nfs/dbraw/zinc/13/79/96/637137996.db2.gz HHEOOAPRLHCODG-UHFFFAOYSA-N 0 3 298.386 3.151 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850760501 637147288 /nfs/dbraw/zinc/14/72/88/637147288.db2.gz STPKZTCYEORCOV-HNNXBMFYSA-N 0 3 296.370 3.087 20 30 CGEDHN N#CC(C(=O)CCCF)c1nc2ccccc2n1C(F)F ZINC000850769123 637148065 /nfs/dbraw/zinc/14/80/65/637148065.db2.gz IAUGSXUZBVKMCZ-VIFPVBQESA-N 0 3 295.264 3.357 20 30 CGEDHN C#CCOCCN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000851792196 637504943 /nfs/dbraw/zinc/50/49/43/637504943.db2.gz JMQBHGFNMDOQDS-HIFRSBDPSA-N 0 3 261.365 3.011 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000886355448 637510690 /nfs/dbraw/zinc/51/06/90/637510690.db2.gz IWFAPIGQTJNAAY-AWEZNQCLSA-N 0 3 266.344 3.187 20 30 CGEDHN C#CC[C@@H]1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000886356122 637511298 /nfs/dbraw/zinc/51/12/98/637511298.db2.gz UHVLCPRUBCPZIN-IUODEOHRSA-N 0 3 297.320 3.084 20 30 CGEDHN C#CC[C@@H]1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000886356387 637511374 /nfs/dbraw/zinc/51/13/74/637511374.db2.gz YVOUYBXSIHLFAQ-LSDHHAIUSA-N 0 3 295.386 3.451 20 30 CGEDHN C#CCC1(NCc2cccc(Cl)c2F)CCOCC1 ZINC000886381444 637521566 /nfs/dbraw/zinc/52/15/66/637521566.db2.gz CQDRQQSYMIHPRM-UHFFFAOYSA-N 0 3 281.758 3.141 20 30 CGEDHN C#CCC1(NCc2ccc([C@H]3C[C@@H]3C)o2)CCOCC1 ZINC000886381530 637521733 /nfs/dbraw/zinc/52/17/33/637521733.db2.gz HGVGQSLXMWVIRL-ZFWWWQNUSA-N 0 3 273.376 3.065 20 30 CGEDHN C#CCN(C(=O)CCCCCCCC)C1CCN(C)CC1 ZINC000886585201 637591596 /nfs/dbraw/zinc/59/15/96/637591596.db2.gz MHRVJARMLTULNK-UHFFFAOYSA-N 0 3 292.467 3.293 20 30 CGEDHN C#C[C@@](C)(CC)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000852101342 637596037 /nfs/dbraw/zinc/59/60/37/637596037.db2.gz PKHMHQFUUOWQKC-KGLIPLIRSA-N 0 3 286.202 3.418 20 30 CGEDHN C#CCOCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000852207368 637616983 /nfs/dbraw/zinc/61/69/83/637616983.db2.gz GDMPKCDTTFXDGH-KRWDZBQOSA-N 0 3 267.372 3.030 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000852587630 637683122 /nfs/dbraw/zinc/68/31/22/637683122.db2.gz ZQFOXEAJVUSCAK-RYUDHWBXSA-N 0 3 257.805 3.455 20 30 CGEDHN C#CCCN(CCOC)CCSc1ccc(F)cc1F ZINC000852749948 637706672 /nfs/dbraw/zinc/70/66/72/637706672.db2.gz ITLMQEWSBWNIOZ-UHFFFAOYSA-N 0 3 299.386 3.029 20 30 CGEDHN C=CCCCCN1CCc2cc(O)c(OC)cc2C1 ZINC000887108822 637752287 /nfs/dbraw/zinc/75/22/87/637752287.db2.gz YGZARJSCLWRQDK-UHFFFAOYSA-N 0 3 261.365 3.115 20 30 CGEDHN Cc1ccc(N2CC[C@H](N[C@H](C)CC(C)(C)C#N)C2=O)cc1 ZINC000925469628 638506306 /nfs/dbraw/zinc/50/63/06/638506306.db2.gz YOXKEBUTBCXRRL-ZBFHGGJFSA-N 0 3 299.418 3.018 20 30 CGEDHN C=C(C)COCCN[C@H](c1ccccn1)C1CCC1 ZINC000925533033 638521123 /nfs/dbraw/zinc/52/11/23/638521123.db2.gz XBWKRMUBPKUMQE-INIZCTEOSA-N 0 3 260.381 3.105 20 30 CGEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccnc(C)c2)c1 ZINC000858137285 638640811 /nfs/dbraw/zinc/64/08/11/638640811.db2.gz LLHGTJKBFUWNGX-KRWDZBQOSA-N 0 3 295.386 3.361 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1c(C)noc1C ZINC000926686041 638798562 /nfs/dbraw/zinc/79/85/62/638798562.db2.gz RLCFRUPGUZRIFD-JTQLQIEISA-N 0 3 254.399 3.251 20 30 CGEDHN C=CCC[C@H](NCc1c(C)noc1CC)[C@@H]1CCCO1 ZINC000927133826 638846128 /nfs/dbraw/zinc/84/61/28/638846128.db2.gz YXGUDKQQJWQFBH-HOCLYGCPSA-N 0 3 278.396 3.149 20 30 CGEDHN C=CCCN(C)Cc1cnc(Br)c(C)c1 ZINC000930253276 638986423 /nfs/dbraw/zinc/98/64/23/638986423.db2.gz PEOVDZXGZZXJDD-UHFFFAOYSA-N 0 3 269.186 3.160 20 30 CGEDHN C#CC1(O)CCN([C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000931144464 639116772 /nfs/dbraw/zinc/11/67/72/639116772.db2.gz YSCBYNFPQVWWET-HNNXBMFYSA-N 0 3 277.795 3.251 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(c2ncco2)CC1 ZINC000931448130 639150653 /nfs/dbraw/zinc/15/06/53/639150653.db2.gz YLCCGKMUHBUYPP-UHFFFAOYSA-N 0 3 281.359 3.234 20 30 CGEDHN N#Cc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931920599 639231274 /nfs/dbraw/zinc/23/12/74/639231274.db2.gz YUWNSXSTQVAVCD-ZDUSSCGKSA-N 0 3 298.283 3.425 20 30 CGEDHN O=C1C=COC2(CCN(CCCCC(F)(F)F)CC2)C1 ZINC000933650014 639475041 /nfs/dbraw/zinc/47/50/41/639475041.db2.gz WUJVHQDZOVFVME-UHFFFAOYSA-N 0 3 291.313 3.057 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001018210691 641021372 /nfs/dbraw/zinc/02/13/72/641021372.db2.gz OWUQXQQCPUANOG-HDICACEKSA-N 0 3 298.430 3.250 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001155607575 805597265 /nfs/dbraw/zinc/59/72/65/805597265.db2.gz QZAPRCBDIJPQSA-WBVHZDCISA-N 0 3 292.467 3.053 20 30 CGEDHN Cc1cnc(NC(=N)c2ccc(C(F)(F)F)cc2)cc1N ZINC001155851069 805615173 /nfs/dbraw/zinc/61/51/73/805615173.db2.gz AGTYSRNGHMJSMJ-UHFFFAOYSA-N 0 3 294.280 3.028 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CCCCC)C(C)C ZINC001156277475 805669870 /nfs/dbraw/zinc/66/98/70/805669870.db2.gz VORHELXPGBDBCR-IAGOWNOFSA-N 0 3 294.483 3.299 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)oc1C ZINC001157529313 805827588 /nfs/dbraw/zinc/82/75/88/805827588.db2.gz WMGFTAHJPAXDQB-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C(F)=C1CCCC1 ZINC001157802368 805873496 /nfs/dbraw/zinc/87/34/96/805873496.db2.gz BDZLAKBLWATMJF-OAHLLOKOSA-N 0 3 294.414 3.283 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N1CCCC[C@](C)(F)C1 ZINC001157906063 805901309 /nfs/dbraw/zinc/90/13/09/805901309.db2.gz ZJUKCVSNSJCRAR-HOCLYGCPSA-N 0 3 284.419 3.191 20 30 CGEDHN CCCCCCCC[C@H](O)CNc1cnc(C)n1C ZINC001252123597 806010508 /nfs/dbraw/zinc/01/05/08/806010508.db2.gz JXHUINBMRRXUMH-AWEZNQCLSA-N 0 3 267.417 3.252 20 30 CGEDHN CCCCCCCC[C@H](O)CNC(=N)c1ccc(F)cn1 ZINC001252133642 806021330 /nfs/dbraw/zinc/02/13/30/806021330.db2.gz KMHWMYRKWBYXJV-AWEZNQCLSA-N 0 3 295.402 3.038 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1ccnn1CCF ZINC001252138416 806023608 /nfs/dbraw/zinc/02/36/08/806023608.db2.gz BOKBSMWOXMTPRO-INIZCTEOSA-N 0 3 299.434 3.054 20 30 CGEDHN CCCCCCCC[C@@H](O)CNC1(c2cnn(C)c2)CC1 ZINC001252136391 806022633 /nfs/dbraw/zinc/02/26/33/806022633.db2.gz PESWHALIXCMHPA-MRXNPFEDSA-N 0 3 293.455 3.110 20 30 CGEDHN C=CCC[C@H](O)CNCc1cccc(Cl)c1Cl ZINC001252614227 806089510 /nfs/dbraw/zinc/08/95/10/806089510.db2.gz GRXDOEQWRCBXLG-NSHDSACASA-N 0 3 274.191 3.410 20 30 CGEDHN C=CCC[C@H](O)CNC(C)(C)c1ccccc1Cl ZINC001252620646 806092302 /nfs/dbraw/zinc/09/23/02/806092302.db2.gz NETKNOHZGCWNAG-LBPRGKRZSA-N 0 3 267.800 3.492 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C=C2CCCCC2)CC1 ZINC001159458115 806104742 /nfs/dbraw/zinc/10/47/42/806104742.db2.gz NPLUQAZGNREQLU-UHFFFAOYSA-N 0 3 288.435 3.201 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001253234849 806188396 /nfs/dbraw/zinc/18/83/96/806188396.db2.gz GDKUDPFQDZGWNB-XUWVNRHRSA-N 0 3 269.404 3.164 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cc(OC)ccn1 ZINC001253249113 806195598 /nfs/dbraw/zinc/19/55/98/806195598.db2.gz HUOUJLAUWDIRGT-MRXNPFEDSA-N 0 3 292.423 3.067 20 30 CGEDHN C=C[C@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC001253600099 806270372 /nfs/dbraw/zinc/27/03/72/806270372.db2.gz XJUVRLUGCAHRBA-WPRPVWTQSA-N 0 3 260.164 3.191 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cccc(OCC(C)C)n1 ZINC001160954465 806327925 /nfs/dbraw/zinc/32/79/25/806327925.db2.gz VBXZSDSXMYVQIH-HNNXBMFYSA-N 0 3 289.423 3.179 20 30 CGEDHN CC[C@H](CC#N)NCC1(c2ccccc2)CCOCC1 ZINC001255161895 806559955 /nfs/dbraw/zinc/55/99/55/806559955.db2.gz BZWYGYKZKDDIEO-MRXNPFEDSA-N 0 3 272.392 3.017 20 30 CGEDHN CC(C)[Si](C#Cn1nccc1CN)(C(C)C)C(C)C ZINC001162592898 806625639 /nfs/dbraw/zinc/62/56/39/806625639.db2.gz RZHHLMOANIAWOK-UHFFFAOYSA-N 0 3 277.488 3.369 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1C=CCC1 ZINC000122212090 798990967 /nfs/dbraw/zinc/99/09/67/798990967.db2.gz QAQBPCSNMQKBTI-OLZOCXBDSA-N 0 3 279.343 3.106 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001163172555 806712996 /nfs/dbraw/zinc/71/29/96/806712996.db2.gz RLNKQURUUDGZKL-HUUCEWRRSA-N 0 3 298.858 3.051 20 30 CGEDHN N#CC1CCN([C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255712153 806715190 /nfs/dbraw/zinc/71/51/90/806715190.db2.gz ZHJFWRAAINNJIO-NEPJUHHUSA-N 0 3 260.303 3.343 20 30 CGEDHN [O-]/N=C/c1cccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001163215232 806724509 /nfs/dbraw/zinc/72/45/09/806724509.db2.gz HPJYGACTWSINQB-AKLVUOHOSA-N 0 3 281.359 3.010 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCC[C@H]2C2CC2)n1 ZINC000695816864 799834858 /nfs/dbraw/zinc/83/48/58/799834858.db2.gz OXOZKLJMRDSKJO-QWHCGFSZSA-N 0 3 261.394 3.073 20 30 CGEDHN C=CCN(C)CCN(CC)c1nc2ccccc2s1 ZINC001163605112 806790752 /nfs/dbraw/zinc/79/07/52/806790752.db2.gz HZZKCIYGGFEEEG-UHFFFAOYSA-N 0 3 275.421 3.240 20 30 CGEDHN C#CC[C@@H](COC)N[C@@H](C)c1cc2ccccc2o1 ZINC000716812322 800182011 /nfs/dbraw/zinc/18/20/11/800182011.db2.gz SGOBSKHVYYTZPV-JSGCOSHPSA-N 0 3 257.333 3.122 20 30 CGEDHN C#CC[C@@H](COC)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000716950443 800187057 /nfs/dbraw/zinc/18/70/57/800187057.db2.gz WRKWJFZULUWZTQ-GMXVVIOVSA-N 0 3 281.446 3.301 20 30 CGEDHN C=CCC1(O)CCN(CCOc2cccc(Cl)c2)CC1 ZINC000717472563 800203146 /nfs/dbraw/zinc/20/31/46/800203146.db2.gz NFMKOLPJCFIESW-UHFFFAOYSA-N 0 3 295.810 3.122 20 30 CGEDHN C[C@@H](CNc1nc(Cl)c(C#N)s1)N1CCC[C@H](C)C1 ZINC000804350355 800397868 /nfs/dbraw/zinc/39/78/68/800397868.db2.gz ZPBHGOPKOLSOAH-UWVGGRQHSA-N 0 3 298.843 3.200 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000809539706 800442866 /nfs/dbraw/zinc/44/28/66/800442866.db2.gz YECXOSJIIZQOOF-QGZVFWFLSA-N 0 3 250.345 3.333 20 30 CGEDHN C#Cc1ccc(CN(CCOC)Cc2ccccc2)cc1 ZINC000809537694 800442909 /nfs/dbraw/zinc/44/29/09/800442909.db2.gz BQSJOTNPGFBXNQ-UHFFFAOYSA-N 0 3 279.383 3.317 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001023117189 800704446 /nfs/dbraw/zinc/70/44/46/800704446.db2.gz OHAFWFVYZGPJGM-LZWOXQAQSA-N 0 3 296.842 3.112 20 30 CGEDHN C=CCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028180769 800835303 /nfs/dbraw/zinc/83/53/03/800835303.db2.gz FYNKDDXXGJIHRJ-LBPRGKRZSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001028257968 800838472 /nfs/dbraw/zinc/83/84/72/800838472.db2.gz JXSDFUYUDORZHK-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC)c1ccccc1 ZINC001029593684 800871594 /nfs/dbraw/zinc/87/15/94/800871594.db2.gz FSSXXTZERJBLFC-FGTMMUONSA-N 0 3 298.430 3.041 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1C ZINC001032761272 800934321 /nfs/dbraw/zinc/93/43/21/800934321.db2.gz MSGVIEIPQBIPHK-IRXDYDNUSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccccc1 ZINC001032766722 800937197 /nfs/dbraw/zinc/93/71/97/800937197.db2.gz NQOYNPFBVFOTME-SZMVWBNQSA-N 0 3 298.430 3.041 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033299343 800958185 /nfs/dbraw/zinc/95/81/85/800958185.db2.gz CCRYMBZYGARUQK-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033605246 800970494 /nfs/dbraw/zinc/97/04/94/800970494.db2.gz ZNGHQDGCQYXMCF-ZDUSSCGKSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033617886 800972366 /nfs/dbraw/zinc/97/23/66/800972366.db2.gz SLNRQFLNEMDDDH-KRWDZBQOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033820158 800985367 /nfs/dbraw/zinc/98/53/67/800985367.db2.gz JWMPYKCSJNWIFS-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034162452 801009927 /nfs/dbraw/zinc/00/99/27/801009927.db2.gz SNLREUFLMAASQQ-HNNXBMFYSA-N 0 3 294.414 3.331 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034502071 801030388 /nfs/dbraw/zinc/03/03/88/801030388.db2.gz CLVSBHVMUIWOOV-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001034541010 801032496 /nfs/dbraw/zinc/03/24/96/801032496.db2.gz LNBHXJYLADCABK-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001034538661 801032765 /nfs/dbraw/zinc/03/27/65/801032765.db2.gz UQLZUXVODOAIAR-AEFFLSMTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 ZINC001039475193 801163491 /nfs/dbraw/zinc/16/34/91/801163491.db2.gz IRIUISHDHGDWNH-OIISXLGYSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001045485587 801275346 /nfs/dbraw/zinc/27/53/46/801275346.db2.gz GLVKMXZSIOPSNR-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccc3occc3c2)CC1 ZINC001045448840 801276070 /nfs/dbraw/zinc/27/60/70/801276070.db2.gz PMTYGHZKSVGQNN-UHFFFAOYSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cc3ccccc3o2)CC1 ZINC001045634981 801283388 /nfs/dbraw/zinc/28/33/88/801283388.db2.gz LEWRJXAKTSXPBM-UHFFFAOYSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(C(C)C)n1 ZINC001256460754 806903972 /nfs/dbraw/zinc/90/39/72/806903972.db2.gz QYQUOQFPTPGPQO-OCCSQVGLSA-N 0 3 280.437 3.337 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCCCC1 ZINC001049372334 801369490 /nfs/dbraw/zinc/36/94/90/801369490.db2.gz IWSAALOMMSVDDC-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001049967149 801394586 /nfs/dbraw/zinc/39/45/86/801394586.db2.gz NTCKGFAGNJHKBO-DLBZAZTESA-N 0 3 290.451 3.066 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)CC1 ZINC001052842759 801453862 /nfs/dbraw/zinc/45/38/62/801453862.db2.gz AGWDBTYCBIBPGF-SFHVURJKSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CC2CCCCC2)CC[C@@H]1C ZINC001071335374 801530212 /nfs/dbraw/zinc/53/02/12/801530212.db2.gz VCUWMDVAEDCKDG-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)cs2)CC[C@@H]1C ZINC001071476379 801539545 /nfs/dbraw/zinc/53/95/45/801539545.db2.gz FZUYRXMXXFMNSI-KBPBESRZSA-N 0 3 292.448 3.215 20 30 CGEDHN CCC[C@@](C)(C#N)NC1CCN(Cc2ccccc2)CC1 ZINC001256601936 806923682 /nfs/dbraw/zinc/92/36/82/806923682.db2.gz KWGSODNKEHXYBA-SFHVURJKSA-N 0 3 285.435 3.323 20 30 CGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC001079747730 801647864 /nfs/dbraw/zinc/64/78/64/801647864.db2.gz ZQIYCMQMIOFNEH-ZYHUDNBSSA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC001085127439 801678420 /nfs/dbraw/zinc/67/84/20/801678420.db2.gz CWSDYOYHEKVMDN-RRFJBIMHSA-N 0 3 296.842 3.112 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085488166 801690971 /nfs/dbraw/zinc/69/09/71/801690971.db2.gz STEWJQKUIAWBGM-LBPRGKRZSA-N 0 3 296.798 3.046 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085957144 801713868 /nfs/dbraw/zinc/71/38/68/801713868.db2.gz UQUAAWAYVGNMKU-KRWDZBQOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001086461671 801728655 /nfs/dbraw/zinc/72/86/55/801728655.db2.gz ARBXOCHMDVRPIC-NGFQHRJXSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1CC ZINC001087645860 801759788 /nfs/dbraw/zinc/75/97/88/801759788.db2.gz ZKUPYKMRBZSFDZ-LSDHHAIUSA-N 0 3 292.448 3.134 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccoc2)C1 ZINC001088263094 801778674 /nfs/dbraw/zinc/77/86/74/801778674.db2.gz VWDZWZXGXHECDE-CQSZACIVSA-N 0 3 296.798 3.007 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C)C2CC2)C1 ZINC001088288861 801781643 /nfs/dbraw/zinc/78/16/43/801781643.db2.gz DJPLUICWAGGVLE-UKRRQHHQSA-N 0 3 298.858 3.146 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCCC1 ZINC001089601990 801845920 /nfs/dbraw/zinc/84/59/20/801845920.db2.gz UWJPMPRWSUZBIQ-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001099038277 801926283 /nfs/dbraw/zinc/92/62/83/801926283.db2.gz DXTFMERGEXSRRO-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001099194726 801934318 /nfs/dbraw/zinc/93/43/18/801934318.db2.gz RMIIRJNIZOIXSR-OAHLLOKOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H](C)CCC)C1 ZINC001100175736 801939490 /nfs/dbraw/zinc/93/94/90/801939490.db2.gz NAJPWSOOYZUIQE-LMWSTFAQSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)CCCC)C1 ZINC001100296586 801946009 /nfs/dbraw/zinc/94/60/09/801946009.db2.gz JCTZJKGAJCVDND-LMWSTFAQSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107319900 802085216 /nfs/dbraw/zinc/08/52/16/802085216.db2.gz VANMTTJZUJRSLM-HXDWRTTPSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)CC)C2 ZINC001109330293 802112020 /nfs/dbraw/zinc/11/20/20/802112020.db2.gz DRBDBDRZAQPOFT-ILXRZTDVSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109601945 802119655 /nfs/dbraw/zinc/11/96/55/802119655.db2.gz VBILVGATQVJRSE-IKGGRYGDSA-N 0 3 298.430 3.120 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001111073420 802154840 /nfs/dbraw/zinc/15/48/40/802154840.db2.gz JXKLNJHOJYQMKB-TUVASFSCSA-N 0 3 296.430 3.058 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H](C)CC)C2 ZINC001111176332 802156910 /nfs/dbraw/zinc/15/69/10/802156910.db2.gz KNOJRQCDPTVWEH-FPCVCCKLSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CCCC)C1 ZINC001111608170 802165251 /nfs/dbraw/zinc/16/52/51/802165251.db2.gz FFZKTELAXDQFSG-RYRKJORJSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C2=CCCCCC2)CC1 ZINC001112787695 802189627 /nfs/dbraw/zinc/18/96/27/802189627.db2.gz CABBFEMQRCDFEP-MRXNPFEDSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C2=CCCCCC2)CC1 ZINC001112787694 802189701 /nfs/dbraw/zinc/18/97/01/802189701.db2.gz CABBFEMQRCDFEP-INIZCTEOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001113230267 802208670 /nfs/dbraw/zinc/20/86/70/802208670.db2.gz ZSSNZJAFJABGEM-JKSUJKDBSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C2(C)CCC2)CCCCC1 ZINC001115668749 802271806 /nfs/dbraw/zinc/27/18/06/802271806.db2.gz DBYZHPYDVCTXFC-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C#CCN(CCOc1ccccc1Cl)CC1CC1 ZINC001116369128 802337216 /nfs/dbraw/zinc/33/72/16/802337216.db2.gz CTLONZLQRJQNLH-UHFFFAOYSA-N 0 3 263.768 3.064 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CCc2cc(Br)ccc21 ZINC001116643268 802390835 /nfs/dbraw/zinc/39/08/35/802390835.db2.gz NDBIRPKPPPGCTF-TZMCWYRMSA-N 0 3 296.208 3.227 20 30 CGEDHN C[C@@H](N)c1nc2ccccc2n1[C@@H](C)CCCC#N ZINC001172476290 808341547 /nfs/dbraw/zinc/34/15/47/808341547.db2.gz JOTBYIUNMHIZRN-NWDGAFQWSA-N 0 3 256.353 3.311 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC001117504704 802469207 /nfs/dbraw/zinc/46/92/07/802469207.db2.gz YXNZJYLQUUUAEI-WBMJQRKESA-N 0 3 270.376 3.336 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(CC(F)(F)F)cc1 ZINC001118989430 802624848 /nfs/dbraw/zinc/62/48/48/802624848.db2.gz CCJBVTZOVBWYNL-ZDUSSCGKSA-N 0 3 273.298 3.082 20 30 CGEDHN N#CC1(CN[C@@H](Cc2cccnc2)C2CCCC2)CC1 ZINC001119260537 802640311 /nfs/dbraw/zinc/64/03/11/802640311.db2.gz CLXSBKMQYTXYOO-INIZCTEOSA-N 0 3 269.392 3.076 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCC(C)C)C2 ZINC001120606089 802752493 /nfs/dbraw/zinc/75/24/93/802752493.db2.gz GFEUOXYHDIJWOQ-UHFFFAOYSA-N 0 3 298.858 3.192 20 30 CGEDHN N#CC(C(=O)C=C(C1CC1)C1CC1)c1cccc(F)n1 ZINC001122632030 802877673 /nfs/dbraw/zinc/87/76/73/802877673.db2.gz NVHLMWFNGWMIBI-CYBMUJFWSA-N 0 3 270.307 3.143 20 30 CGEDHN C=C(CC(C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001123575209 802954656 /nfs/dbraw/zinc/95/46/56/802954656.db2.gz QFUWJSWUSSEMLR-INIZCTEOSA-N 0 3 274.408 3.008 20 30 CGEDHN COc1ccc(-c2cnccc2/C=C/N(C)C)c(C#N)c1 ZINC001243732345 802971942 /nfs/dbraw/zinc/97/19/42/802971942.db2.gz PBFJZRTYEADKPY-VQHVLOKHSA-N 0 3 279.343 3.161 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)C2CC2)CC[C@@H]1C ZINC001132007342 803366757 /nfs/dbraw/zinc/36/67/57/803366757.db2.gz ZKXHGSFFTHLGEU-HOCLYGCPSA-N 0 3 292.467 3.358 20 30 CGEDHN CCc1cc(-c2cc(N(C)C)ccn2)ccc1C#N ZINC001244950333 803588551 /nfs/dbraw/zinc/58/85/51/803588551.db2.gz FVKODYGKAOOKGX-UHFFFAOYSA-N 0 3 251.333 3.249 20 30 CGEDHN N#CCOc1ccc(CN2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001137114770 803684968 /nfs/dbraw/zinc/68/49/68/803684968.db2.gz ZGGIVGJQMNYLBS-CQSZACIVSA-N 0 3 298.308 3.158 20 30 CGEDHN C=CCCCCN(C)Cc1cc(C(=O)OC)ccc1OC ZINC001137250432 803703074 /nfs/dbraw/zinc/70/30/74/803703074.db2.gz ZJDFQKDEQKMRRJ-UHFFFAOYSA-N 0 3 291.391 3.270 20 30 CGEDHN Cc1csc(CN2CCC3SC(=O)C=C3C2)c1Cl ZINC001137289367 803709814 /nfs/dbraw/zinc/70/98/14/803709814.db2.gz ZIGJOEPJTUOSKF-SNVBAGLBSA-N 0 3 299.848 3.484 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341500 803720271 /nfs/dbraw/zinc/72/02/71/803720271.db2.gz PBRULNYICMNXSE-GFCCVEGCSA-N 0 3 256.324 3.152 20 30 CGEDHN C#CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001138556059 803966590 /nfs/dbraw/zinc/96/65/90/803966590.db2.gz DCHNNCWHCZDSAV-GASCZTMLSA-N 0 3 291.341 3.176 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)Cc2cccc(O)c2)c1[O-] ZINC001138625586 803982239 /nfs/dbraw/zinc/98/22/39/803982239.db2.gz PKWKXHHOUBLYGY-UHFFFAOYSA-N 0 3 283.371 3.458 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)Cc2cccc(O)c2)c1[O-] ZINC001138625586 803982246 /nfs/dbraw/zinc/98/22/46/803982246.db2.gz PKWKXHHOUBLYGY-UHFFFAOYSA-N 0 3 283.371 3.458 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1[O-] ZINC001138631343 803984604 /nfs/dbraw/zinc/98/46/04/803984604.db2.gz PWZVAPYIOFDKLV-CJNGLKHVSA-N 0 3 275.392 3.120 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1[O-] ZINC001138631343 803984613 /nfs/dbraw/zinc/98/46/13/803984613.db2.gz PWZVAPYIOFDKLV-CJNGLKHVSA-N 0 3 275.392 3.120 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCOC[C@@H](C)C1 ZINC001138663164 803998052 /nfs/dbraw/zinc/99/80/52/803998052.db2.gz PAOZMFMLTLPGOD-HNNXBMFYSA-N 0 3 275.392 3.110 20 30 CGEDHN Cc1ncc(Nc2ccc(C3(C#N)CC3)cc2)n1C ZINC001212253711 814997287 /nfs/dbraw/zinc/99/72/87/814997287.db2.gz PANCQLRJAYUADD-UHFFFAOYSA-N 0 3 252.321 3.027 20 30 CGEDHN C#CC1CCN(Cc2ccc(OCC)cc2OCC)CC1 ZINC001138979988 804097717 /nfs/dbraw/zinc/09/77/17/804097717.db2.gz NSGURVMATGJVCH-UHFFFAOYSA-N 0 3 287.403 3.329 20 30 CGEDHN CCN(C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423792 804188592 /nfs/dbraw/zinc/18/85/92/804188592.db2.gz IULUWXSLRQFJPK-UHFFFAOYSA-N 0 3 267.332 3.197 20 30 CGEDHN C=CCC[N@H+](Cc1ccccc1)Cc1ccncc1[O-] ZINC001140277603 804407244 /nfs/dbraw/zinc/40/72/44/804407244.db2.gz HFZJQLBOAXBHBJ-UHFFFAOYSA-N 0 3 268.360 3.366 20 30 CGEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1ccncc1[O-] ZINC001140277603 804407245 /nfs/dbraw/zinc/40/72/45/804407245.db2.gz HFZJQLBOAXBHBJ-UHFFFAOYSA-N 0 3 268.360 3.366 20 30 CGEDHN COc1ccc2nccc(CN3CCC[C@@H](C#N)CC3)c2c1 ZINC001141150685 804598643 /nfs/dbraw/zinc/59/86/43/804598643.db2.gz KBUGEMYHAADSJE-CQSZACIVSA-N 0 3 295.386 3.369 20 30 CGEDHN CCCCCCCN(C)Cc1ccc(C(=O)OC)o1 ZINC001142624902 804744909 /nfs/dbraw/zinc/74/49/09/804744909.db2.gz SDDZSWMUQUCCQD-UHFFFAOYSA-N 0 3 267.369 3.468 20 30 CGEDHN C=C(c1nc(-c2ccc(CN(C)C)cc2)no1)C(F)(F)F ZINC001247537498 804771190 /nfs/dbraw/zinc/77/11/90/804771190.db2.gz FRROQOWSMCMCNN-UHFFFAOYSA-N 0 3 297.280 3.374 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001144578804 805008896 /nfs/dbraw/zinc/00/88/96/805008896.db2.gz QKSCYSYKMHKLSH-QGZVFWFLSA-N 0 3 299.414 3.222 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CCCC[C@H](C)CC)C2)C1 ZINC001147636778 805141657 /nfs/dbraw/zinc/14/16/57/805141657.db2.gz NYTQBMNGPDEEMY-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN CCCCCCCNC(=S)Nc1cnccc1N(C)C ZINC001249628548 805192469 /nfs/dbraw/zinc/19/24/69/805192469.db2.gz HKMXZDFWDPUGAP-UHFFFAOYSA-N 0 3 294.468 3.404 20 30 CGEDHN CCCCC[C@@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001257502213 807183499 /nfs/dbraw/zinc/18/34/99/807183499.db2.gz UONLUTPNQNZPHO-SNVBAGLBSA-N 0 3 253.777 3.409 20 30 CGEDHN C[C@H](Cc1ccco1)NC(=N)c1ccc2ccccc2n1 ZINC001258179389 807343374 /nfs/dbraw/zinc/34/33/74/807343374.db2.gz QMWYQRLVPMKSBV-GFCCVEGCSA-N 0 3 279.343 3.164 20 30 CGEDHN N#CCC1(N[C@@H]2CCc3cc(F)ccc3C2)CCCC1 ZINC001168421770 807410460 /nfs/dbraw/zinc/41/04/60/807410460.db2.gz STDIVRMGSVVPEK-MRXNPFEDSA-N 0 3 272.367 3.499 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)NCc1ccccc1C#N ZINC001168456095 807421590 /nfs/dbraw/zinc/42/15/90/807421590.db2.gz ODZNVQUEQNELJI-CYBMUJFWSA-N 0 3 268.335 3.418 20 30 CGEDHN C=CCC[C@@H](C)n1nc(C(F)(F)F)c2c1CNCC2 ZINC001258733707 807578903 /nfs/dbraw/zinc/57/89/03/807578903.db2.gz MBFITDNUELSPBQ-SECBINFHSA-N 0 3 273.302 3.075 20 30 CGEDHN C=CC(=NCOC)NC/C=C(\C)CCC=C(C)C ZINC001169134968 807587178 /nfs/dbraw/zinc/58/71/78/807587178.db2.gz GDFNIJMTADZUMZ-GXDHUFHOSA-N 0 3 250.386 3.457 20 30 CGEDHN N#CC[C@H]1CCCN([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170701614 807878451 /nfs/dbraw/zinc/87/84/51/807878451.db2.gz QWXACDJGJMXXAB-IUODEOHRSA-N 0 3 290.357 3.448 20 30 CGEDHN N#CC1CCN([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170918773 807933500 /nfs/dbraw/zinc/93/35/00/807933500.db2.gz KLUSSCFWRXYTIN-AWEZNQCLSA-N 0 3 274.795 3.433 20 30 CGEDHN C[C@@H]1CCCCN1c1cccc(NCCCS)n1 ZINC001171001154 807955852 /nfs/dbraw/zinc/95/58/52/807955852.db2.gz RRKMTOPNHFUXHF-GFCCVEGCSA-N 0 3 265.426 3.192 20 30 CGEDHN CCN(Cc1occc1C)C[C@H](O)c1cccc(C#N)c1 ZINC001171240783 808015757 /nfs/dbraw/zinc/01/57/57/808015757.db2.gz VKAOCCHPQVMGIY-INIZCTEOSA-N 0 3 284.359 3.015 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349297 808033708 /nfs/dbraw/zinc/03/37/08/808033708.db2.gz HYWFLUUHOKTNAQ-STQMWFEESA-N 0 3 264.319 3.104 20 30 CGEDHN C#C[C@@H]1CCCN([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171386988 808040161 /nfs/dbraw/zinc/04/01/61/808040161.db2.gz HIVCMGKRQBMVGE-DOMZBBRYSA-N 0 3 275.342 3.167 20 30 CGEDHN N#CCC1CCN([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171381965 808041024 /nfs/dbraw/zinc/04/10/24/808041024.db2.gz WGABVVGJQGWRIN-OAHLLOKOSA-N 0 3 290.357 3.448 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)C/C=C/Cl ZINC001265125911 808110586 /nfs/dbraw/zinc/11/05/86/808110586.db2.gz FFJUJWWWDCVMNQ-VQHVLOKHSA-N 0 3 286.847 3.169 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CCCCCF)C1 ZINC001265227587 808122518 /nfs/dbraw/zinc/12/25/18/808122518.db2.gz YZBOORBAOHCKEK-HNNXBMFYSA-N 0 3 298.446 3.309 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CCCCCF)C1 ZINC001265227588 808122711 /nfs/dbraw/zinc/12/27/11/808122711.db2.gz YZBOORBAOHCKEK-OAHLLOKOSA-N 0 3 298.446 3.309 20 30 CGEDHN CC(C)(C)OC(=O)C1CCC(N2CC[C@](C)(C#N)C2)CC1 ZINC001171933659 808156160 /nfs/dbraw/zinc/15/61/60/808156160.db2.gz ZSBNYMBBQZAGPY-MQBCKMQZSA-N 0 3 292.423 3.122 20 30 CGEDHN CC(C)(C)C#CCN[C@H]1CSc2ccccc2C1 ZINC001172200608 808196000 /nfs/dbraw/zinc/19/60/00/808196000.db2.gz LIQZNXRAMKJFIC-CQSZACIVSA-N 0 3 259.418 3.343 20 30 CGEDHN Cc1cnc(CN[C@H](C)Cc2ccc(C#N)cc2)s1 ZINC001172297595 808219536 /nfs/dbraw/zinc/21/95/36/808219536.db2.gz QDZOPTXTVSTDES-LLVKDONJSA-N 0 3 271.389 3.044 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](C)c1nccs1 ZINC001172300178 808220597 /nfs/dbraw/zinc/22/05/97/808220597.db2.gz SFYYXJXIRSCMOZ-VXGBXAGGSA-N 0 3 271.389 3.297 20 30 CGEDHN N#Cc1coc(CN[C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001172711499 808415121 /nfs/dbraw/zinc/41/51/21/808415121.db2.gz BBDITRBVHOVCFD-AWEZNQCLSA-N 0 3 272.735 3.062 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1cc(C)oc1C)c1ccccc1 ZINC001267351109 808420408 /nfs/dbraw/zinc/42/04/08/808420408.db2.gz PMHJSWXEXXQFCF-KRWDZBQOSA-N 0 3 298.386 3.143 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001267428713 808425429 /nfs/dbraw/zinc/42/54/29/808425429.db2.gz ZDMALOJFDZQLLM-KFWWJZLASA-N 0 3 296.430 3.012 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)CCC)c1ccccc1 ZINC001267516506 808438434 /nfs/dbraw/zinc/43/84/34/808438434.db2.gz DVRUUIHFSCHYJP-DOTOQJQBSA-N 0 3 288.435 3.446 20 30 CGEDHN C=CCN(CC=C)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173064408 808502751 /nfs/dbraw/zinc/50/27/51/808502751.db2.gz GCNIKAPRGHKXDB-HUUCEWRRSA-N 0 3 294.439 3.448 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCC(=C)Cl)C(C)C ZINC001268211769 808558117 /nfs/dbraw/zinc/55/81/17/808558117.db2.gz FFVCCKJOOWRFEQ-CYBMUJFWSA-N 0 3 286.847 3.072 20 30 CGEDHN CCCCCCCC[C@@H](CCC)N1CCO[C@H](C(N)=O)C1 ZINC001173309694 808605579 /nfs/dbraw/zinc/60/55/79/808605579.db2.gz JSAPXVPIVGQTSB-CVEARBPZSA-N 0 3 298.471 3.092 20 30 CGEDHN N#CCC1CCC(NCC(=O)c2cccc(F)c2)CC1 ZINC001173333379 808617664 /nfs/dbraw/zinc/61/76/64/808617664.db2.gz KOIWRZPSIJVRPW-UHFFFAOYSA-N 0 3 274.339 3.070 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1CC/C=C\CC ZINC001269272596 808661901 /nfs/dbraw/zinc/66/19/01/808661901.db2.gz LWGKPHDPSRGZRC-ZPIQOJFGSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001269307673 808667133 /nfs/dbraw/zinc/66/71/33/808667133.db2.gz WEFRXBDTWUVGHS-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001273466488 808846442 /nfs/dbraw/zinc/84/64/42/808846442.db2.gz PGHZVYWYKPCMFR-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N(CC(C)C)C2 ZINC001273501735 808849972 /nfs/dbraw/zinc/84/99/72/808849972.db2.gz UTTCADSLMBEBTB-SFHVURJKSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)C(C)(C)C1 ZINC001274454589 808875477 /nfs/dbraw/zinc/87/54/77/808875477.db2.gz PCVPTRUEKASQJX-HOTGVXAUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@](C)(F)CCCC)C(C)(C)C1 ZINC001274436785 808875988 /nfs/dbraw/zinc/87/59/88/808875988.db2.gz PRFVBPOHQHRVEY-YOEHRIQHSA-N 0 3 298.446 3.308 20 30 CGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001276311292 809001496 /nfs/dbraw/zinc/00/14/96/809001496.db2.gz LZSPRLSGRHPMPJ-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001276802024 809032981 /nfs/dbraw/zinc/03/29/81/809032981.db2.gz WGENJCDYCIHIHL-AEFFLSMTSA-N 0 3 298.430 3.221 20 30 CGEDHN C=CCCCCCCCCCN1CC[C@@H]2C[C@@]21C(N)=O ZINC001277977567 809109624 /nfs/dbraw/zinc/10/96/24/809109624.db2.gz MNJFYMXRJTUMMD-WBVHZDCISA-N 0 3 278.440 3.243 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2(CCCC)CC2)C(C)(C)C1 ZINC001281553147 809215367 /nfs/dbraw/zinc/21/53/67/809215367.db2.gz NRMLIVKKTWIFFM-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001282451676 809248105 /nfs/dbraw/zinc/24/81/05/809248105.db2.gz YIZBVVSQKMEQLV-CQSZACIVSA-N 0 3 292.398 3.119 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)Cc1cccc2ccccc21 ZINC001282487003 809251404 /nfs/dbraw/zinc/25/14/04/809251404.db2.gz SWVIERMCGNNWCY-HNNXBMFYSA-N 0 3 296.414 3.005 20 30 CGEDHN C/C=C/C[C@H]1CCCN(Cc2cc(C#N)ccn2)C1 ZINC001175055091 809255704 /nfs/dbraw/zinc/25/57/04/809255704.db2.gz UMCPLYPNAMJYAD-HSWBROFVSA-N 0 3 255.365 3.131 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](CCC)C(C)C)C(C)(C)C1 ZINC001282823650 809264860 /nfs/dbraw/zinc/26/48/60/809264860.db2.gz WUQWXBDFHHUBBR-CVEARBPZSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001282834471 809265538 /nfs/dbraw/zinc/26/55/38/809265538.db2.gz VYSUYJSJOXIZQQ-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1ccccc1 ZINC001175314321 809352059 /nfs/dbraw/zinc/35/20/59/809352059.db2.gz ASFRBJQYHNYXQD-CYBMUJFWSA-N 0 3 294.826 3.029 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(Cl)cc1Cl)C(C)C ZINC001176373655 809681909 /nfs/dbraw/zinc/68/19/09/809681909.db2.gz WBNMNMLBESQNJN-CQSZACIVSA-N 0 3 286.202 3.370 20 30 CGEDHN CC#CCCNCc1cc(Cl)cc(Cl)c1N ZINC001180470403 810004781 /nfs/dbraw/zinc/00/47/81/810004781.db2.gz SBCWWMNCVGAQNL-UHFFFAOYSA-N 0 3 257.164 3.079 20 30 CGEDHN CC#CCCCCCCCC(=O)N1CCN2CCC1CC2 ZINC001182769239 810124017 /nfs/dbraw/zinc/12/40/17/810124017.db2.gz WUBPXEAUIAYQKA-UHFFFAOYSA-N 0 3 290.451 3.047 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001183065625 810135766 /nfs/dbraw/zinc/13/57/66/810135766.db2.gz MZCHKYRYUWYEDP-GFCCVEGCSA-N 0 3 280.362 3.429 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCC1CSC1 ZINC001184386295 810196782 /nfs/dbraw/zinc/19/67/82/810196782.db2.gz BFMZZPFZZOPRFV-UHFFFAOYSA-N 0 3 295.835 3.195 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193479725 810894346 /nfs/dbraw/zinc/89/43/46/810894346.db2.gz ZURULXRHXKGFRI-GJZGRUSLSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCN(CC)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001198458532 811505516 /nfs/dbraw/zinc/50/55/16/811505516.db2.gz SVLRHJGKIYLBMW-MRXNPFEDSA-N 0 3 290.382 3.219 20 30 CGEDHN CCCCCCCCCNC(=S)N[C@@H]1CCCN(C)C1 ZINC001200378647 811683590 /nfs/dbraw/zinc/68/35/90/811683590.db2.gz ZHTBLEXWBKECEI-OAHLLOKOSA-N 0 3 299.528 3.295 20 30 CGEDHN CCc1ccccc1CNCc1cc(C#N)ccc1N(C)C ZINC001200672216 811732727 /nfs/dbraw/zinc/73/27/27/811732727.db2.gz NYONVLYBJWTNCN-UHFFFAOYSA-N 0 3 293.414 3.476 20 30 CGEDHN CCCCCCCN1CCN(c2cc(C)nc(C)n2)CC1 ZINC001201787748 811964422 /nfs/dbraw/zinc/96/44/22/811964422.db2.gz KQPOXHLKBLQPCV-UHFFFAOYSA-N 0 3 290.455 3.186 20 30 CGEDHN CCCCCCCN1CCN(c2cccc(O)c2)CC1 ZINC001201798106 811966942 /nfs/dbraw/zinc/96/69/42/811966942.db2.gz ORYZTVNUFMPRRS-UHFFFAOYSA-N 0 3 276.424 3.485 20 30 CGEDHN CCCCCCCCCN1C[C@H](CO)C[C@H](F)C1 ZINC001201838878 811969114 /nfs/dbraw/zinc/96/91/14/811969114.db2.gz GBXRDLQZDYNAAK-CABCVRRESA-N 0 3 259.409 3.389 20 30 CGEDHN CCCCCCCCN1CCN(c2cc(C)ncn2)CC1 ZINC001201840489 811969839 /nfs/dbraw/zinc/96/98/39/811969839.db2.gz YBOIOXXMIKZXIR-UHFFFAOYSA-N 0 3 290.455 3.268 20 30 CGEDHN C=C[C@H](COC)NC/C=C\c1c(C)cc(C)cc1C ZINC001202093112 812014767 /nfs/dbraw/zinc/01/47/67/812014767.db2.gz QMPMIHIXGIMWLS-XITLMJRVSA-N 0 3 259.393 3.416 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C(C)=C/CC)C12CCC2 ZINC001202581791 812127578 /nfs/dbraw/zinc/12/75/78/812127578.db2.gz HRBDKMNHXUSQFQ-BLOBHPOZSA-N 0 3 296.842 3.112 20 30 CGEDHN C#Cc1cccc(CNCc2cccc(Cl)c2N)c1 ZINC001202813439 812178800 /nfs/dbraw/zinc/17/88/00/812178800.db2.gz SOJYXLWVJXHTHQ-UHFFFAOYSA-N 0 3 270.763 3.193 20 30 CGEDHN N#Cc1ncc(Nc2ccnc(C3CCC3)c2)cc1F ZINC001203056574 812230800 /nfs/dbraw/zinc/23/08/00/812230800.db2.gz YLVOACJZHZCAGK-UHFFFAOYSA-N 0 3 268.295 3.498 20 30 CGEDHN O=C1C=C2CN(Cc3cccc(Cl)c3)CCC2S1 ZINC001203797743 812464255 /nfs/dbraw/zinc/46/42/55/812464255.db2.gz PKDCFBXZSVMLPS-ZDUSSCGKSA-N 0 3 279.792 3.114 20 30 CGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C2CCC2)cc1 ZINC001204237701 812581717 /nfs/dbraw/zinc/58/17/17/812581717.db2.gz QAMLTFBLAJTKEJ-UHFFFAOYSA-N 0 3 299.418 3.031 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OCCC)C2)cc1 ZINC001204300302 812605223 /nfs/dbraw/zinc/60/52/23/812605223.db2.gz OSRBPVDTFYXINC-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C)cc2)no1 ZINC001206094301 813198293 /nfs/dbraw/zinc/19/82/93/813198293.db2.gz FYUVBHHUOKHGQQ-UHFFFAOYSA-N 0 3 269.348 3.154 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(CC)c2)no1 ZINC001206094328 813198387 /nfs/dbraw/zinc/19/83/87/813198387.db2.gz HPRFEVPGTSDRHX-UHFFFAOYSA-N 0 3 283.375 3.408 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001206094213 813198447 /nfs/dbraw/zinc/19/84/47/813198447.db2.gz ANYCGEUDHDJOSJ-UHFFFAOYSA-N 0 3 289.766 3.499 20 30 CGEDHN CCCCN(CCC#N)C[C@@H]1CCOC(C)(C)C1 ZINC001207355778 813548063 /nfs/dbraw/zinc/54/80/63/813548063.db2.gz FSLUBCBJWMXVSO-CQSZACIVSA-N 0 3 252.402 3.207 20 30 CGEDHN CC(C)Oc1ncccc1CCN1CCC[C@H](CC#N)C1 ZINC001208799178 813852579 /nfs/dbraw/zinc/85/25/79/813852579.db2.gz SZZYNPWPIGRVJP-OAHLLOKOSA-N 0 3 287.407 3.037 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001208867333 813874069 /nfs/dbraw/zinc/87/40/69/813874069.db2.gz BZVXSVGQAXWJSL-RBSFLKMASA-N 0 3 280.456 3.071 20 30 CGEDHN C[C@@H]1C(=O)CCN(CCc2ccc(C#N)cc2)C12CCCC2 ZINC001208928747 813904154 /nfs/dbraw/zinc/90/41/54/813904154.db2.gz KTERFRZSCOVTPG-OAHLLOKOSA-N 0 3 296.414 3.324 20 30 CGEDHN C=CCCCN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001209160380 813951919 /nfs/dbraw/zinc/95/19/19/813951919.db2.gz VCCIZFXIRYIVEL-UHFFFAOYSA-N 0 3 282.428 3.284 20 30 CGEDHN C=CCCCCN1CCc2nc(Cl)ccc2C1 ZINC001209205425 813966529 /nfs/dbraw/zinc/96/65/29/813966529.db2.gz XJEVHOLTRRDUHV-UHFFFAOYSA-N 0 3 250.773 3.449 20 30 CGEDHN C=CCCCCN(CC(=O)OCC)C1CCCC1 ZINC001209208144 813968802 /nfs/dbraw/zinc/96/88/02/813968802.db2.gz KIHFQSNVSWTXCS-UHFFFAOYSA-N 0 3 253.386 3.150 20 30 CGEDHN CCCCN(CCC#N)CC1CCC(OC)CC1 ZINC001209393802 814012557 /nfs/dbraw/zinc/01/25/57/814012557.db2.gz RHDNYGDOQHLHFQ-UHFFFAOYSA-N 0 3 252.402 3.207 20 30 CGEDHN C=CCCCCCN1CCN(C)c2nc(C)ccc2C1 ZINC001209424119 814026121 /nfs/dbraw/zinc/02/61/21/814026121.db2.gz LADAOKCYGXUYER-UHFFFAOYSA-N 0 3 273.424 3.388 20 30 CGEDHN C=CCCCCCCN1CCS[C@H](C(=O)OCC)C1 ZINC001209441539 814040661 /nfs/dbraw/zinc/04/06/61/814040661.db2.gz XPZAXMZPFSYWHK-AWEZNQCLSA-N 0 3 285.453 3.103 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001209762876 814133640 /nfs/dbraw/zinc/13/36/40/814133640.db2.gz FQSSUXBWDIJUIQ-CQSZACIVSA-N 0 3 280.375 3.202 20 30 CGEDHN CN(C)Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 ZINC001210151762 814314405 /nfs/dbraw/zinc/31/44/05/814314405.db2.gz OUXVXNMGPLKEPA-UHFFFAOYSA-N 0 3 272.392 3.433 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2cnc(C)c(C)c2)no1 ZINC001211436443 814891692 /nfs/dbraw/zinc/89/16/92/814891692.db2.gz LMYULFKQXGBPCF-UHFFFAOYSA-N 0 3 298.390 3.248 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc(CC)cc1O ZINC001218948972 816258704 /nfs/dbraw/zinc/25/87/04/816258704.db2.gz PYIZIXJIZMPXNJ-AWEZNQCLSA-N 0 3 290.407 3.357 20 30 CGEDHN N#Cc1cncc(OC(C(=O)c2ccco2)c2ccco2)c1 ZINC001226687414 817433346 /nfs/dbraw/zinc/43/33/46/817433346.db2.gz YJMBACMWPOHQPY-INIZCTEOSA-N 0 3 294.266 3.142 20 30 CGEDHN C[NH+](C)CC[C@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227351833 817630876 /nfs/dbraw/zinc/63/08/76/817630876.db2.gz YYGBUNVBFXAOQC-KRWDZBQOSA-N 0 3 296.370 3.336 20 30 CGEDHN C[NH+](C)CC[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227351835 817631044 /nfs/dbraw/zinc/63/10/44/817631044.db2.gz YYGBUNVBFXAOQC-QGZVFWFLSA-N 0 3 296.370 3.336 20 30 CGEDHN Cc1nc(-c2ccccc2)ncc1CN1CCC(S)CC1 ZINC001231799463 818178261 /nfs/dbraw/zinc/17/82/61/818178261.db2.gz SYTMAOXNQUIGHW-UHFFFAOYSA-N 0 3 299.443 3.346 20 30 CGEDHN CN(CCC#N)c1ccc(CN2CC3(CCC3)C2)cc1 ZINC001231815994 818184972 /nfs/dbraw/zinc/18/49/72/818184972.db2.gz GLAFMRPLBKXLJE-UHFFFAOYSA-N 0 3 269.392 3.022 20 30 CGEDHN CCCCCCCN(CC)Cc1cnc(OC)cn1 ZINC001231937689 818214778 /nfs/dbraw/zinc/21/47/78/818214778.db2.gz HQSGFVIRBBCMFP-UHFFFAOYSA-N 0 3 265.401 3.278 20 30 CGEDHN CCCCCCCN(C)Cc1cc(OC)ccn1 ZINC001231968539 818218393 /nfs/dbraw/zinc/21/83/93/818218393.db2.gz YXJBDSBGJKUASH-UHFFFAOYSA-N 0 3 250.386 3.492 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)CC[C@@]1(C)O ZINC001232112426 818258575 /nfs/dbraw/zinc/25/85/75/818258575.db2.gz WAAUVVDAGHUHDU-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccnc(C(C)(C)C)c2)C1 ZINC001232217994 818282501 /nfs/dbraw/zinc/28/25/01/818282501.db2.gz RUZVBAZBEUEJMD-CQSZACIVSA-N 0 3 256.393 3.224 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232460271 818354919 /nfs/dbraw/zinc/35/49/19/818354919.db2.gz NGLFKCXJZJPPFA-UHFFFAOYSA-N 0 3 288.782 3.342 20 30 CGEDHN COc1cccc(C)c1CN1CCC[C@@H](C#N)CC1 ZINC001232624887 818403523 /nfs/dbraw/zinc/40/35/23/818403523.db2.gz HQMUELXWGDTPDK-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN CC(C)N1CCC[C@@H](Oc2ccc(C(=O)CC#N)cc2)C1 ZINC001233526382 818634074 /nfs/dbraw/zinc/63/40/74/818634074.db2.gz QAYWOHBTVZBRBA-MRXNPFEDSA-N 0 3 286.375 3.035 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)sc1C ZINC001233666733 818674614 /nfs/dbraw/zinc/67/46/14/818674614.db2.gz XZCGUJAJMNCHKD-CYBMUJFWSA-N 0 3 279.430 3.139 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233683484 818680180 /nfs/dbraw/zinc/68/01/80/818680180.db2.gz QJFSEUXJKSAPFV-HNNXBMFYSA-N 0 3 294.414 3.283 20 30 CGEDHN C#CC[C@@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234244633 818815184 /nfs/dbraw/zinc/81/51/84/818815184.db2.gz RHXQRVIAWPNYHO-CYBMUJFWSA-N 0 3 279.355 3.077 20 30 CGEDHN C#C[C@H](CCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243832 818815373 /nfs/dbraw/zinc/81/53/73/818815373.db2.gz LTNNAUKXWLHVFB-CYBMUJFWSA-N 0 3 279.355 3.077 20 30 CGEDHN N#Cc1ncc(-c2ccc(CN3CCCCC3)c(F)c2)cn1 ZINC001236249280 819405279 /nfs/dbraw/zinc/40/52/79/819405279.db2.gz QWUVGWFRTPTOMY-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C#CC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236838409 819616297 /nfs/dbraw/zinc/61/62/97/819616297.db2.gz YJQLHCGLBOBPSB-UHFFFAOYSA-N 0 3 265.356 3.391 20 30 CGEDHN C#CCN(C)Cc1ccc2ncc(Br)cc2c1 ZINC001237168405 819687471 /nfs/dbraw/zinc/68/74/71/819687471.db2.gz UKWGPSDTZQFIIQ-UHFFFAOYSA-N 0 3 289.176 3.062 20 30 CGEDHN C=CCN(CC=C)Cc1ccc2[nH]c(C(=O)OC)cc2c1 ZINC001237311860 819720777 /nfs/dbraw/zinc/72/07/77/819720777.db2.gz UXXHLNJTKQONRT-UHFFFAOYSA-N 0 3 284.359 3.129 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN3CCC[C@H](C#N)C3)cc21 ZINC001237885215 819870348 /nfs/dbraw/zinc/87/03/48/819870348.db2.gz GVAVWVLQLAXIBT-MRXNPFEDSA-N 0 3 295.430 3.423 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN(C)[C@@H](C)C#N)cc21 ZINC001237890582 819874005 /nfs/dbraw/zinc/87/40/05/819874005.db2.gz YQNSHHRVNYFUTR-ZDUSSCGKSA-N 0 3 269.392 3.032 20 30 CGEDHN C#CC1CCN(Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001238711723 820097353 /nfs/dbraw/zinc/09/73/53/820097353.db2.gz RXGNGRSLMCRKJA-UHFFFAOYSA-N 0 3 286.394 3.271 20 30 CGEDHN CCc1cc(CN2CCC(CC#N)CC2)ccc1C#N ZINC001238779815 820116886 /nfs/dbraw/zinc/11/68/86/820116886.db2.gz YSUDRQIQBHNSJM-UHFFFAOYSA-N 0 3 267.376 3.246 20 30 CGEDHN CCc1cc(CN2CCC[C@@H](C#N)CC2)ccc1C#N ZINC001238777723 820116930 /nfs/dbraw/zinc/11/69/30/820116930.db2.gz HDUPOZMAAVUFOW-CQSZACIVSA-N 0 3 267.376 3.246 20 30 CGEDHN COc1ccc(-c2ccccc2OCC#N)cc1CN(C)C ZINC001243586720 823457341 /nfs/dbraw/zinc/45/73/41/823457341.db2.gz GHJXFPNXUARUIW-UHFFFAOYSA-N 0 3 296.370 3.326 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1CCN[C@@H](CC)C1 ZINC001239284116 820252459 /nfs/dbraw/zinc/25/24/59/820252459.db2.gz KSRLPGZLTYXAAY-GJZGRUSLSA-N 0 3 283.460 3.129 20 30 CGEDHN CCCCCCCNC(=O)N1CCN[C@H](CCCC)C1 ZINC001239293452 820254730 /nfs/dbraw/zinc/25/47/30/820254730.db2.gz MZNOQEAUTQOVNS-OAHLLOKOSA-N 0 3 283.460 3.130 20 30 CGEDHN N#CC1(c2ccccc2-c2cccc(F)c2[O-])CC[NH2+]CC1 ZINC001242352419 822962409 /nfs/dbraw/zinc/96/24/09/822962409.db2.gz HKXQLBMCCJULJZ-UHFFFAOYSA-N 0 3 296.345 3.343 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@H](CC)c1ccncc1 ZINC001340218181 936401003 /nfs/dbraw/zinc/40/10/03/936401003.db2.gz ZXBIAQXHNXEBQG-JKSUJKDBSA-N 0 3 289.423 3.065 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC001341336713 936434576 /nfs/dbraw/zinc/43/45/76/936434576.db2.gz IWXXYPYILXLMJT-SJORKVTESA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1oc2ccccc2c1C ZINC001341463438 936438696 /nfs/dbraw/zinc/43/86/96/936438696.db2.gz FMYYWCDKJYESKV-AWEZNQCLSA-N 0 3 286.375 3.041 20 30 CGEDHN C[C@H](NC(=O)[C@H](N)C1CCCCCC1)c1cccc(C#N)c1 ZINC001341610913 936444168 /nfs/dbraw/zinc/44/41/68/936444168.db2.gz YLXJCIJDHJRNMF-SUMWQHHRSA-N 0 3 299.418 3.033 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC001342267865 936463882 /nfs/dbraw/zinc/46/38/82/936463882.db2.gz HPOHEFFHBDWFHK-OLZOCXBDSA-N 0 3 273.380 3.203 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001342568031 936470691 /nfs/dbraw/zinc/47/06/91/936470691.db2.gz CZPJQTYYVRXXEY-SNVBAGLBSA-N 0 3 292.688 3.114 20 30 CGEDHN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001345622194 936817493 /nfs/dbraw/zinc/81/74/93/936817493.db2.gz VFBCMIBCRBFFOM-JKKYPKHBSA-N 0 3 290.313 3.218 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCC=CCCC1 ZINC001345643282 936819061 /nfs/dbraw/zinc/81/90/61/936819061.db2.gz PKUFIXDVODNIAQ-UONOGXRCSA-N 0 3 271.364 3.216 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC001349701381 936958441 /nfs/dbraw/zinc/95/84/41/936958441.db2.gz DRDXUMAGOPUBHV-FRRDWIJNSA-N 0 3 299.399 3.253 20 30 CGEDHN C=CCC1(C(=O)N(C)CCNC[C@@H](F)CC)CCCCC1 ZINC001481319167 926954618 /nfs/dbraw/zinc/95/46/18/926954618.db2.gz UJAKIYOKUHONPI-HNNXBMFYSA-N 0 3 298.446 3.309 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)C ZINC001481664893 927049641 /nfs/dbraw/zinc/04/96/41/927049641.db2.gz PPIXQDOVGHPZQF-HOTGVXAUSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CCC(=O)N(C)CCN(C)[C@H](C)c1ccccc1 ZINC001496709148 927234883 /nfs/dbraw/zinc/23/48/83/927234883.db2.gz AWYNZPWLBZUNPL-MRXNPFEDSA-N 0 3 288.435 3.494 20 30 CGEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C1CCC1 ZINC001482430695 927238591 /nfs/dbraw/zinc/23/85/91/927238591.db2.gz RWBSINJAXUWVLJ-SFHVURJKSA-N 0 3 298.430 3.078 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)CCC1CCCCCC1 ZINC001483364233 927491154 /nfs/dbraw/zinc/49/11/54/927491154.db2.gz PQHRNQQLQPEALO-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCCCCC)C1 ZINC001484176969 927687878 /nfs/dbraw/zinc/68/78/78/927687878.db2.gz ZDTDGXPFGOKFFV-KRWDZBQOSA-N 0 3 280.456 3.361 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)CCCCCCCC)C[C@H]1C ZINC001484986021 927780383 /nfs/dbraw/zinc/78/03/83/927780383.db2.gz NWGHQRPXAMDEPP-IAGOWNOFSA-N 0 3 292.467 3.339 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(C)c1 ZINC001485338227 927853966 /nfs/dbraw/zinc/85/39/66/927853966.db2.gz GXVJHRJRCVGCNT-HNNXBMFYSA-N 0 3 288.435 3.144 20 30 CGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)CCCC ZINC001485478037 927875147 /nfs/dbraw/zinc/87/51/47/927875147.db2.gz MTLJEICMXMMOHG-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1cc(C)ccc1C)C(C)C ZINC001486380124 928014431 /nfs/dbraw/zinc/01/44/31/928014431.db2.gz YVRAJEFSZQZJGX-UHFFFAOYSA-N 0 3 288.435 3.272 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(F)(F)CC1 ZINC001171204486 928199890 /nfs/dbraw/zinc/19/98/90/928199890.db2.gz YIYCRXWGKDKADC-GFCCVEGCSA-N 0 3 264.319 3.220 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001489331263 928329612 /nfs/dbraw/zinc/32/96/12/928329612.db2.gz QVKCCQGDZUKEOA-KRWDZBQOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCCC(C)C)C1 ZINC001490452964 928358361 /nfs/dbraw/zinc/35/83/61/928358361.db2.gz STYZZFVUTHWIIG-INIZCTEOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001490785321 928389729 /nfs/dbraw/zinc/38/97/29/928389729.db2.gz SBJDPFVVKSYWCO-CALCHBBNSA-N 0 3 290.451 3.374 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)cc2)c(F)c1 ZINC001451382740 937390271 /nfs/dbraw/zinc/39/02/71/937390271.db2.gz LLUPOLHBHXJULY-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN CN1CCC[C@@H]1CSc1nc2c(cc1C#N)CCCC2 ZINC001458916940 937476445 /nfs/dbraw/zinc/47/64/45/937476445.db2.gz YSBMNLKDCYUUAU-CQSZACIVSA-N 0 3 287.432 3.018 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cc(Cl)ccc1F ZINC001459819693 937501981 /nfs/dbraw/zinc/50/19/81/937501981.db2.gz ZDSIKUVLUCDJPO-PWSUYJOCSA-N 0 3 296.773 3.184 20 30 CGEDHN C#CCOCCN(C)CCSc1cccc(Cl)c1 ZINC001459895721 937505329 /nfs/dbraw/zinc/50/53/29/937505329.db2.gz VRASMEVYYXFLAC-UHFFFAOYSA-N 0 3 283.824 3.014 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CCCC(CC)(CC)C1 ZINC001460414497 937530095 /nfs/dbraw/zinc/53/00/95/937530095.db2.gz HZEUBURKIGCAQJ-CYBMUJFWSA-N 0 3 253.386 3.006 20 30 CGEDHN COc1ccc(C#N)cc1CN[C@@H](C)c1ccccc1O ZINC001460636303 937537717 /nfs/dbraw/zinc/53/77/17/937537717.db2.gz HABAOMHWJNFDQZ-LBPRGKRZSA-N 0 3 282.343 3.123 20 30 CGEDHN COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001460636303 937537719 /nfs/dbraw/zinc/53/77/19/937537719.db2.gz HABAOMHWJNFDQZ-LBPRGKRZSA-N 0 3 282.343 3.123 20 30 CGEDHN C#CC[C@@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303921 932129061 /nfs/dbraw/zinc/12/90/61/932129061.db2.gz XHMALVGILCKFTB-OAHLLOKOSA-N 0 3 273.376 3.002 20 30 CGEDHN C#CCC1(NCc2cccc(OC3CC3)c2F)CCC1 ZINC001461778540 937596795 /nfs/dbraw/zinc/59/67/95/937596795.db2.gz SJYUXRROICECRQ-UHFFFAOYSA-N 0 3 273.351 3.403 20 30 CGEDHN CCN1CC[C@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230632961 932601716 /nfs/dbraw/zinc/60/17/16/932601716.db2.gz OPJIYFLENQRWLJ-AWEZNQCLSA-N 0 3 272.392 3.329 20 30 CGEDHN C#C[C@@H](N[C@@H]1CCCN(CC)C1)c1ccc(Cl)cc1F ZINC001462224893 937626077 /nfs/dbraw/zinc/62/60/77/937626077.db2.gz JQWKXZZLJCYRST-CZUORRHYSA-N 0 3 294.801 3.227 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCC2CC2)CCC1 ZINC001316607252 932746489 /nfs/dbraw/zinc/74/64/89/932746489.db2.gz ZWAOABXFMYIZTR-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN(C)CCNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001492448570 932817183 /nfs/dbraw/zinc/81/71/83/932817183.db2.gz XATHSADEWCPFIH-QGZVFWFLSA-N 0 3 288.435 3.050 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001337728176 932857496 /nfs/dbraw/zinc/85/74/96/932857496.db2.gz PDWOIGNEQLUEGA-OAHLLOKOSA-N 0 3 291.439 3.032 20 30 CGEDHN C=CCN(C[C@@H]1CC[C@@H](c2ccccc2)O1)[C@@H](C)COC ZINC001307925078 933021818 /nfs/dbraw/zinc/02/18/18/933021818.db2.gz WZZSLEZRBPZFPP-SZMVWBNQSA-N 0 3 289.419 3.430 20 30 CGEDHN C#CCCCCCCN[C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC001308980364 933219898 /nfs/dbraw/zinc/21/98/98/933219898.db2.gz YABUFBFZSGBZFO-OAHLLOKOSA-N 0 3 292.810 3.040 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccco2)C1 ZINC001316937914 933461133 /nfs/dbraw/zinc/46/11/33/933461133.db2.gz OOFWCTPKFGWFCO-OAHLLOKOSA-N 0 3 292.423 3.444 20 30 CGEDHN C=C[C@H](C(=O)N[C@H]1CCN(CC(=C)C)[C@@H]1C)c1ccccc1 ZINC001316798855 933483012 /nfs/dbraw/zinc/48/30/12/933483012.db2.gz DMAQJHNSOGNAEW-NJAFHUGGSA-N 0 3 298.430 3.111 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCCN([C@H](C)c2ccccc2)C1 ZINC001316939080 933499700 /nfs/dbraw/zinc/49/97/00/933499700.db2.gz AYFKEVUBUYJIHR-WBVHZDCISA-N 0 3 286.419 3.294 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1CC(=C)C ZINC001317178330 933548739 /nfs/dbraw/zinc/54/87/39/933548739.db2.gz LNJNPUIGGTWQOT-NVXWUHKLSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001317870171 933660811 /nfs/dbraw/zinc/66/08/11/933660811.db2.gz OLMXCGYBULSSEL-RUDMXATFSA-N 0 3 298.858 3.266 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H](CCNCC(=C)Cl)C1 ZINC001318825669 933783415 /nfs/dbraw/zinc/78/34/15/933783415.db2.gz KYEMKLVKGGXVRX-HNNXBMFYSA-N 0 3 298.858 3.314 20 30 CGEDHN C#CCN(Cc1cc(=O)oc2cc(CC)ccc12)CC1CC1 ZINC001319446194 933876790 /nfs/dbraw/zinc/87/67/90/933876790.db2.gz LNEWPDIDHCVEHP-UHFFFAOYSA-N 0 3 295.382 3.201 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001320043333 933985569 /nfs/dbraw/zinc/98/55/69/933985569.db2.gz STBKFBNVEQIMII-SFHVURJKSA-N 0 3 288.435 3.179 20 30 CGEDHN C=CCO[C@H]1CCN(CCc2ccccc2Cl)C1 ZINC001320038408 933986611 /nfs/dbraw/zinc/98/66/11/933986611.db2.gz RRBJXNLWHNQDRG-AWEZNQCLSA-N 0 3 265.784 3.159 20 30 CGEDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC#N)c2)c([O-])c1 ZINC001320252264 934021951 /nfs/dbraw/zinc/02/19/51/934021951.db2.gz BXUPZZKRUMBNCI-AWEZNQCLSA-N 0 3 296.370 3.454 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)C1=CCCC1 ZINC001323212742 934373685 /nfs/dbraw/zinc/37/36/85/934373685.db2.gz RZVNLEARMSXJMF-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001323243871 934376248 /nfs/dbraw/zinc/37/62/48/934376248.db2.gz UIQFQEQSDMNPRT-CABCVRRESA-N 0 3 280.456 3.214 20 30 CGEDHN C=CCO[C@@H]1CCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC001323965732 934444440 /nfs/dbraw/zinc/44/44/40/934444440.db2.gz PQEAEVNDSZUFSA-RDFMZFSFSA-N 0 3 279.330 3.255 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cc3cc(Cl)cnc3o2)C1 ZINC001324368211 934492289 /nfs/dbraw/zinc/49/22/89/934492289.db2.gz GLXBFWKDOHHYDP-CYBMUJFWSA-N 0 3 292.766 3.258 20 30 CGEDHN C=C(CNC(=O)[C@@H]1CCCCN1CCC)c1ccccc1 ZINC001324767435 934565481 /nfs/dbraw/zinc/56/54/81/934565481.db2.gz JIDLVDPYVXMULZ-KRWDZBQOSA-N 0 3 286.419 3.081 20 30 CGEDHN CC[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC001473402811 937805171 /nfs/dbraw/zinc/80/51/71/937805171.db2.gz MZUOWPXBLZCRMW-AAEUAGOBSA-N 0 3 273.336 3.087 20 30 CGEDHN C=C[C@@H](COC)NCc1cc2ccccc2c(OC)c1 ZINC001325118629 934887203 /nfs/dbraw/zinc/88/72/03/934887203.db2.gz WHJGHNKWIRYSNL-HNNXBMFYSA-N 0 3 271.360 3.139 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1csc(C#N)c1 ZINC001325180208 934892094 /nfs/dbraw/zinc/89/20/94/934892094.db2.gz MPZQMODCFZTWCT-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC001325303891 934902545 /nfs/dbraw/zinc/90/25/45/934902545.db2.gz VHVKMKHINBSDFC-KRWDZBQOSA-N 0 3 297.402 3.162 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC001325619430 934920086 /nfs/dbraw/zinc/92/00/86/934920086.db2.gz GDNMIRDJFMMPMO-PSASIEDQSA-N 0 3 289.206 3.427 20 30 CGEDHN C=CCO[C@H]1CCN(CCc2ccc(F)cc2Cl)C1 ZINC001325928800 934940089 /nfs/dbraw/zinc/94/00/89/934940089.db2.gz TYFFPKIPPRMMKK-AWEZNQCLSA-N 0 3 283.774 3.299 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](CC)CC1CCCC1 ZINC001329573935 935229525 /nfs/dbraw/zinc/22/95/25/935229525.db2.gz NVTQTOFMZFVQII-GDBMZVCRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2c(C)cccc2Cl)C1 ZINC001330591852 935300137 /nfs/dbraw/zinc/30/01/37/935300137.db2.gz IVQNBTIKZPUSOX-CYBMUJFWSA-N 0 3 265.784 3.425 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC001330806040 935324022 /nfs/dbraw/zinc/32/40/22/935324022.db2.gz PGGPOIZZORURID-INIZCTEOSA-N 0 3 270.376 3.253 20 30 CGEDHN C#CCN1CCC([C@H](C)NC(=O)C(CC)(CC)CC)CC1 ZINC001333004232 935504108 /nfs/dbraw/zinc/50/41/08/935504108.db2.gz IRVDOYUYDFVAKN-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CC[C@@H]1CCCN(CN2C[C@H](c3ccccc3)CC2=O)C1 ZINC001333711319 936058265 /nfs/dbraw/zinc/05/82/65/936058265.db2.gz ZFXPGGFLMCVMSG-SJLPKXTDSA-N 0 3 298.430 3.248 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC001337648415 936277057 /nfs/dbraw/zinc/27/70/57/936277057.db2.gz DKFPCRCKNRLINS-CQSZACIVSA-N 0 3 257.333 3.210 20 30 CGEDHN C#C[C@H](N[C@H](C)c1nccc2ccccc21)C1CCOCC1 ZINC001474636967 937872037 /nfs/dbraw/zinc/87/20/37/937872037.db2.gz SKROBBRCAZYQJK-KDOFPFPSSA-N 0 3 294.398 3.314 20 30 CGEDHN CC#CCN(C)CCCNC(=O)CCC1CCCCCC1 ZINC001479784807 937926025 /nfs/dbraw/zinc/92/60/25/937926025.db2.gz MQCSQHMOVUQOMX-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](F)CC)C1 ZINC001480260328 937935115 /nfs/dbraw/zinc/93/51/15/937935115.db2.gz VOFIOZVJMLWWHY-CABCVRRESA-N 0 3 298.446 3.165 20 30 CGEDHN C#CCN1CCC[C@H](CNC(=O)CCCCCC(C)C)C1 ZINC001480266498 937935593 /nfs/dbraw/zinc/93/55/93/937935593.db2.gz TYQDVVVMOPMCNL-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2ccccc2)C1 ZINC001493938861 937952169 /nfs/dbraw/zinc/95/21/69/937952169.db2.gz MRURFHWJKPOXOC-KRWDZBQOSA-N 0 3 286.419 3.189 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2CC(C)(C)C2)C1 ZINC001493946163 937952261 /nfs/dbraw/zinc/95/22/61/937952261.db2.gz DXDIIZJLIVHKTJ-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCC ZINC001494647734 937955359 /nfs/dbraw/zinc/95/53/59/937955359.db2.gz DHKSBCQTQJRLDX-JYJNAYRXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C=C)cc1 ZINC001494673092 937955766 /nfs/dbraw/zinc/95/57/66/937955766.db2.gz PHSBLABAHGMZSF-ROUUACIJSA-N 0 3 296.414 3.195 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@@H](C)C2)CCCC1 ZINC001495190574 937958437 /nfs/dbraw/zinc/95/84/37/937958437.db2.gz BGHBNSYXSAPZHO-OCCSQVGLSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001495336720 937958739 /nfs/dbraw/zinc/95/87/39/937958739.db2.gz CGQVVKCJBVLKNE-JSGCOSHPSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)CCC2CCC2)CCCC1 ZINC001495908292 937960588 /nfs/dbraw/zinc/96/05/88/937960588.db2.gz OBRVNELPOCCIIY-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001496673122 937963530 /nfs/dbraw/zinc/96/35/30/937963530.db2.gz XVIUPJZONWZAHT-AWEZNQCLSA-N 0 3 292.398 3.243 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)Cc1cccc(CC)c1 ZINC001496671727 937963802 /nfs/dbraw/zinc/96/38/02/937963802.db2.gz KFQZQXDMUUXKJJ-UHFFFAOYSA-N 0 3 288.435 3.105 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCN1[C@H](C)c1ccccc1C ZINC001498944691 937971493 /nfs/dbraw/zinc/97/14/93/937971493.db2.gz QBUSPMDOHSVTGI-CVEARBPZSA-N 0 3 286.419 3.213 20 30 CGEDHN CC#CCNC[C@@H](NC(=O)CC)c1ccc2ccccc2c1 ZINC001500060335 937975529 /nfs/dbraw/zinc/97/55/29/937975529.db2.gz OVDFHAAELRSOOQ-GOSISDBHSA-N 0 3 294.398 3.020 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001501604603 937979853 /nfs/dbraw/zinc/97/98/53/937979853.db2.gz UYCZLLMXRKMNLF-OAHLLOKOSA-N 0 3 298.858 3.314 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 ZINC001505455863 937985835 /nfs/dbraw/zinc/98/58/35/937985835.db2.gz JYIHHWDIMZWTQJ-OAHLLOKOSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccsc1 ZINC001507113061 937994387 /nfs/dbraw/zinc/99/43/87/937994387.db2.gz MSDVSQCXSCABKZ-KGLIPLIRSA-N 0 3 294.464 3.287 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC001521671157 938033474 /nfs/dbraw/zinc/03/34/74/938033474.db2.gz CEUPEQXJRSCVEO-GHMZBOCLSA-N 0 3 294.361 3.153 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1nc(C(C)C)c(C)s1 ZINC001521929465 938035474 /nfs/dbraw/zinc/03/54/74/938035474.db2.gz BIQUPNHTXINUKX-NSHDSACASA-N 0 3 281.425 3.197 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001522463038 938036728 /nfs/dbraw/zinc/03/67/28/938036728.db2.gz XFYFNFCWJNTFSO-XKQJLSEDSA-N 0 3 284.403 3.131 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CC=CCC1)c1cccc(F)n1 ZINC001524969379 938046984 /nfs/dbraw/zinc/04/69/84/938046984.db2.gz CYOPVFITPDAGHJ-VXGBXAGGSA-N 0 3 258.296 3.143 20 30 CGEDHN CCCCCCC[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001543390687 938139145 /nfs/dbraw/zinc/13/91/45/938139145.db2.gz AJBFMXJYWBQDLJ-ZDUSSCGKSA-N 0 3 279.428 3.373 20 30 CGEDHN N#Cc1cncc(CN2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1 ZINC001560065340 938243215 /nfs/dbraw/zinc/24/32/15/938243215.db2.gz KFELVFRSDACXAH-QRVBRYPASA-N 0 3 289.382 3.189 20 30 CGEDHN C=CCC[C@H]1CCCN1[C@H](C)C(=O)OCCCC ZINC001560199694 938246816 /nfs/dbraw/zinc/24/68/16/938246816.db2.gz BAYNNCGFXFIHLH-KGLIPLIRSA-N 0 3 253.386 3.149 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(F)c1N ZINC001560460048 938259381 /nfs/dbraw/zinc/25/93/81/938259381.db2.gz RGMATHZCSDQQCD-MRXNPFEDSA-N 0 3 281.334 3.057 20 30 CGEDHN C=CCC[C@H](CO)NCc1nc2ccccc2n1C(C)C ZINC001560471500 938259745 /nfs/dbraw/zinc/25/97/45/938259745.db2.gz QJQAGCWORBASJD-CQSZACIVSA-N 0 3 287.407 3.034 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1c(C)cc(C)c(COC)c1C ZINC001560793472 938275871 /nfs/dbraw/zinc/27/58/71/938275871.db2.gz PZBLYOOABPKWMM-CQSZACIVSA-N 0 3 259.393 3.212 20 30 CGEDHN CN(C)c1cccc(NC23CCC(C#N)(CC2)CC3)n1 ZINC001158785599 958833613 /nfs/dbraw/zinc/83/36/13/958833613.db2.gz FONJBXMNHXIPEQ-UHFFFAOYSA-N 0 3 270.380 3.176 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCC1(CC(C)C)CCCC1 ZINC001574903764 960467045 /nfs/dbraw/zinc/46/70/45/960467045.db2.gz VZDUFDYFOVNTFE-HNNXBMFYSA-N 0 3 280.456 3.393 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC001574851415 960472674 /nfs/dbraw/zinc/47/26/74/960472674.db2.gz FFNGQUSDBNNUOD-GJZGRUSLSA-N 0 3 298.858 3.322 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(CC)CC ZINC001565834307 960829669 /nfs/dbraw/zinc/82/96/69/960829669.db2.gz YLDPEFQJDZJZJR-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)/C(C)=C\C)C1 ZINC001565880885 960853683 /nfs/dbraw/zinc/85/36/83/960853683.db2.gz GUHQDJGCJHPQMM-VLSXRJLXSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001566750750 961005521 /nfs/dbraw/zinc/00/55/21/961005521.db2.gz QNIPZSHUVKXWPU-LUKYLMHMSA-N 0 3 292.467 3.453 20 30 CGEDHN C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001566819833 961026631 /nfs/dbraw/zinc/02/66/31/961026631.db2.gz UELMKRYWCCWRQQ-GBVAZSLVSA-N 0 3 296.842 3.207 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1occc1C(C)C ZINC001567226451 961145399 /nfs/dbraw/zinc/14/53/99/961145399.db2.gz LMSGNAQNBNQPIH-GFCCVEGCSA-N 0 3 298.814 3.254 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CCC)[C@H]1CCN(CC)C1 ZINC001567683382 961397912 /nfs/dbraw/zinc/39/79/12/961397912.db2.gz VRGBVSQLKHHAJE-INIZCTEOSA-N 0 3 278.440 3.088 20 30 CGEDHN C#CCCN[C@@H](CNC(=O)C1(CCC)CC1)c1ccccc1 ZINC001567664521 961398731 /nfs/dbraw/zinc/39/87/31/961398731.db2.gz ZUNQOJJYTLTELA-KRWDZBQOSA-N 0 3 298.430 3.037 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC=C ZINC001567863352 961440290 /nfs/dbraw/zinc/44/02/90/961440290.db2.gz ZZLBLPGJIMQSGQ-JYJNAYRXSA-N 0 3 290.451 3.229 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)[C@H](C)CC)CC2 ZINC001568253025 961529380 /nfs/dbraw/zinc/52/93/80/961529380.db2.gz VSKRAMIACFRIHQ-HZPDHXFCSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)C(CC)CC ZINC001568551376 961617410 /nfs/dbraw/zinc/61/74/10/961617410.db2.gz AWOVWSBSLOWTIE-CQSZACIVSA-N 0 3 268.445 3.025 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2cscc2s1 ZINC001569127736 961700490 /nfs/dbraw/zinc/70/04/90/961700490.db2.gz HSRVTLSUCZXGBD-SNVBAGLBSA-N 0 3 294.445 3.199 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccsc1C ZINC001569356201 961743755 /nfs/dbraw/zinc/74/37/55/961743755.db2.gz SGRIQNMGMPGPIL-TZMCWYRMSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001569651295 961813948 /nfs/dbraw/zinc/81/39/48/961813948.db2.gz OPZRDQZRYJJWGR-DOTOQJQBSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001569657287 961822989 /nfs/dbraw/zinc/82/29/89/961822989.db2.gz WMJIUBGYLJEEDS-GOSISDBHSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCN1CCC(C)(CNC(=O)C(CC)(CC)CC)CC1 ZINC001569706736 961833045 /nfs/dbraw/zinc/83/30/45/961833045.db2.gz WBOCMZAJPCAECM-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001570734073 962065935 /nfs/dbraw/zinc/06/59/35/962065935.db2.gz MGKHCTMWJSSTOC-OLZOCXBDSA-N 0 3 294.826 3.066 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CN(CC(=C)C)CC2(C)C)CCC1 ZINC001570905220 962111288 /nfs/dbraw/zinc/11/12/88/962111288.db2.gz PMLKFITZEQTCHK-OAHLLOKOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573329403 962243409 /nfs/dbraw/zinc/24/34/09/962243409.db2.gz JADDXWXEZBDSBE-GDBMZVCRSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573329403 962243425 /nfs/dbraw/zinc/24/34/25/962243425.db2.gz JADDXWXEZBDSBE-GDBMZVCRSA-N 0 3 297.406 3.091 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@H](C)OC[C@@H]1CC ZINC001577426574 962541168 /nfs/dbraw/zinc/54/11/68/962541168.db2.gz SBJSYYUHLJFDNU-JYJNAYRXSA-N 0 3 298.471 3.090 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H](CF)C1 ZINC001577426664 962546645 /nfs/dbraw/zinc/54/66/45/962546645.db2.gz TWOKNSCVJKQTCH-LSDHHAIUSA-N 0 3 286.435 3.272 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H](CF)C1 ZINC001577426661 962548296 /nfs/dbraw/zinc/54/82/96/962548296.db2.gz TWOKNSCVJKQTCH-GJZGRUSLSA-N 0 3 286.435 3.272 20 30 CGEDHN C=CCC(C)(C)C[NH2+]Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588539413 963287017 /nfs/dbraw/zinc/28/70/17/963287017.db2.gz KDWJLCRYMXKPJZ-UHFFFAOYSA-N 0 3 299.422 3.175 20 30 CGEDHN C=CCC(C)(C)C[NH2+]Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588539413 963287027 /nfs/dbraw/zinc/28/70/27/963287027.db2.gz KDWJLCRYMXKPJZ-UHFFFAOYSA-N 0 3 299.422 3.175 20 30 CGEDHN C=CCCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588596624 963294779 /nfs/dbraw/zinc/29/47/79/963294779.db2.gz XFSLXOZVUVZVDA-INIZCTEOSA-N 0 3 297.406 3.190 20 30 CGEDHN C=CCCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588596624 963294794 /nfs/dbraw/zinc/29/47/94/963294794.db2.gz XFSLXOZVUVZVDA-INIZCTEOSA-N 0 3 297.406 3.190 20 30 CGEDHN N#Cc1ccc(CN2CCC(C3CC3)CC2)cc1F ZINC000590008717 346821719 /nfs/dbraw/zinc/82/17/19/346821719.db2.gz XBKSBDCLUNCNOB-UHFFFAOYSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCc1cc(CN2CC(CC3CC3)C2)cc(OC)c1O ZINC000621740445 349577377 /nfs/dbraw/zinc/57/73/77/349577377.db2.gz QHDKYUZXFQHXQF-UHFFFAOYSA-N 0 3 287.403 3.361 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cn3cc(C)ccc3n2)C1 ZINC000651704969 398272042 /nfs/dbraw/zinc/27/20/42/398272042.db2.gz BBARGBUQGABTNV-HUUCEWRRSA-N 0 3 269.392 3.477 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nccn2CC(F)(F)F)C1 ZINC000651699522 398271054 /nfs/dbraw/zinc/27/10/54/398271054.db2.gz YDEWULSXJMDYBF-NEPJUHHUSA-N 0 3 287.329 3.280 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2nnc(C)s2)C1 ZINC000651761829 398284177 /nfs/dbraw/zinc/28/41/77/398284177.db2.gz JRBKTCVEMXIECW-MVWJERBFSA-N 0 3 251.399 3.242 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651761485 398284483 /nfs/dbraw/zinc/28/44/83/398284483.db2.gz UCRZQDACAHTAGK-PBHICJAKSA-N 0 3 282.387 3.336 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000651811379 398290633 /nfs/dbraw/zinc/29/06/33/398290633.db2.gz PSDAXSOMZNEPSP-JSGCOSHPSA-N 0 3 276.355 3.099 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2ccncc2)cc1 ZINC000125560091 187190970 /nfs/dbraw/zinc/19/09/70/187190970.db2.gz QVHVCLGJFBVFGY-GOSISDBHSA-N 0 3 293.370 3.169 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000652062303 398322358 /nfs/dbraw/zinc/32/23/58/398322358.db2.gz FLTLEVPYVNNUQN-HNNXBMFYSA-N 0 3 279.330 3.483 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C2CCC2)C1 ZINC000591063293 346898237 /nfs/dbraw/zinc/89/82/37/346898237.db2.gz OERXWGDURUFSMQ-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](C2CCC2)C1 ZINC000591237985 346910116 /nfs/dbraw/zinc/91/01/16/346910116.db2.gz NQGIQADOOBNZIM-MSOLQXFVSA-N 0 3 296.414 3.408 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000591260494 346911986 /nfs/dbraw/zinc/91/19/86/346911986.db2.gz LWBQJTQEWCOLHT-LBPRGKRZSA-N 0 3 260.768 3.091 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1cccc(C#N)c1 ZINC000591255917 346912053 /nfs/dbraw/zinc/91/20/53/346912053.db2.gz GQDLYHCYMIORCR-KWBADKCTSA-N 0 3 250.292 3.253 20 30 CGEDHN C=CCCCNCc1ccc(F)c(F)c1N(C)C ZINC000623510275 349823038 /nfs/dbraw/zinc/82/30/38/349823038.db2.gz PTGHLUXNIUABJW-UHFFFAOYSA-N 0 3 254.324 3.087 20 30 CGEDHN C=CC(C)(C)CCNCc1cn2cc(C)ccc2n1 ZINC000623592912 349843590 /nfs/dbraw/zinc/84/35/90/349843590.db2.gz IYCKXBOCVMHQLV-UHFFFAOYSA-N 0 3 257.381 3.335 20 30 CGEDHN N#CC[C@]1(O)CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000592149629 346967005 /nfs/dbraw/zinc/96/70/05/346967005.db2.gz SLULCDILMZDGKF-IBGZPJMESA-N 0 3 290.366 3.107 20 30 CGEDHN CN(CCC(C)(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000592145011 346967008 /nfs/dbraw/zinc/96/70/08/346967008.db2.gz LTKZVDASHZHMNQ-MRXNPFEDSA-N 0 3 299.418 3.032 20 30 CGEDHN CC(C)(C)OC(=O)C1(C)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000592160679 346967801 /nfs/dbraw/zinc/96/78/01/346967801.db2.gz UOVVHZBVVSZPNW-ZIAGYGMSSA-N 0 3 292.423 3.122 20 30 CGEDHN N#C[C@H]1CC[C@@H](NC2(c3ccccc3F)CCC2)C1 ZINC000592397288 346983967 /nfs/dbraw/zinc/98/39/67/346983967.db2.gz SRVHXNXKKGSEAH-QWHCGFSZSA-N 0 3 258.340 3.487 20 30 CGEDHN C[C@H](N[C@@H]1CCS[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000592401505 346985310 /nfs/dbraw/zinc/98/53/10/346985310.db2.gz XYBAKJMJWWUIQY-PKFCDNJMSA-N 0 3 264.369 3.242 20 30 CGEDHN CC(C)=CCC[C@H](C)CCN1CC[C@@](O)(CC#N)C1 ZINC000592521812 346995463 /nfs/dbraw/zinc/99/54/63/346995463.db2.gz CHESCNQSPZSSPB-HOTGVXAUSA-N 0 3 264.413 3.109 20 30 CGEDHN CN(C)CCOc1cccc(-c2ccc(C#N)s2)c1 ZINC000592989061 347024718 /nfs/dbraw/zinc/02/47/18/347024718.db2.gz PTCWGSLNXCFISI-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN N#CCCOCCN1CCCC[C@@H]1Cc1ccccc1F ZINC000593085001 347037361 /nfs/dbraw/zinc/03/73/61/347037361.db2.gz VQLGBRSHLOEJBO-MRXNPFEDSA-N 0 3 290.382 3.153 20 30 CGEDHN CN(Cc1cc(C#N)cs1)C1Cc2ccccc2C1 ZINC000352682223 529976122 /nfs/dbraw/zinc/97/61/22/529976122.db2.gz OJUNGYLGSNCYCK-UHFFFAOYSA-N 0 3 268.385 3.219 20 30 CGEDHN CC(C)=CCN1CCCN(c2ccccc2C#N)CC1 ZINC000046087113 345034563 /nfs/dbraw/zinc/03/45/63/345034563.db2.gz QBVJPWSLAZLEEE-UHFFFAOYSA-N 0 3 269.392 3.037 20 30 CGEDHN C[C@H]1CC[C@H](N(CCO)Cc2ccc(C#N)cc2Cl)C1 ZINC000351630305 219154437 /nfs/dbraw/zinc/15/44/37/219154437.db2.gz QXEQXPKVVYVFFU-WFASDCNBSA-N 0 3 292.810 3.195 20 30 CGEDHN C=CCOCCN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000623957288 349927198 /nfs/dbraw/zinc/92/71/98/349927198.db2.gz DDLMOQDMSADPMW-CQSZACIVSA-N 0 3 269.747 3.259 20 30 CGEDHN N#Cc1ccc(N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000073109763 345430772 /nfs/dbraw/zinc/43/07/72/345430772.db2.gz PXOXFAVZUBHQOJ-UHFFFAOYSA-N 0 3 291.398 3.271 20 30 CGEDHN C=C(C)CN(CC)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000073418999 345443752 /nfs/dbraw/zinc/44/37/52/345443752.db2.gz AVFCTRAQEJLFEM-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN CC(C)(C#N)CCCN1CCOc2ccccc2C1 ZINC000087608733 345756169 /nfs/dbraw/zinc/75/61/69/345756169.db2.gz WASIPVTUTXURFO-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN N#CCCCN(CCCO)[C@H]1CCCc2ccccc21 ZINC000081535616 345712259 /nfs/dbraw/zinc/71/22/59/345712259.db2.gz MFMGWHZQDWITLZ-KRWDZBQOSA-N 0 3 272.392 3.052 20 30 CGEDHN C=CCOc1ccccc1CN(C)CCc1nccs1 ZINC000093843893 345889419 /nfs/dbraw/zinc/88/94/19/345889419.db2.gz CWBRWWFYYBHGAL-UHFFFAOYSA-N 0 3 288.416 3.382 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000093335597 345875998 /nfs/dbraw/zinc/87/59/98/345875998.db2.gz RITHWPNGPRAANX-ZDUSSCGKSA-N 0 3 270.307 3.280 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000106039254 345930123 /nfs/dbraw/zinc/93/01/23/345930123.db2.gz XIYDPPMNUBZZSJ-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000111249528 345948689 /nfs/dbraw/zinc/94/86/89/345948689.db2.gz OPAUUKDHEGCOCU-BBRMVZONSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCSCCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000222058324 346298562 /nfs/dbraw/zinc/29/85/62/346298562.db2.gz PZZXPWUZAGEVLC-GFCCVEGCSA-N 0 3 293.432 3.027 20 30 CGEDHN C=C(C)COc1cc(CNCCSC)ccc1OC ZINC000237241729 346345313 /nfs/dbraw/zinc/34/53/13/346345313.db2.gz LXLPZMXHJUALAM-UHFFFAOYSA-N 0 3 281.421 3.103 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(SC)cc1 ZINC000293983409 346431993 /nfs/dbraw/zinc/43/19/93/346431993.db2.gz DYYRVNNVNNRSSZ-GFCCVEGCSA-N 0 3 251.395 3.262 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(C(F)F)CC1 ZINC000307882191 346465305 /nfs/dbraw/zinc/46/53/05/346465305.db2.gz RZOWQCSENWOYNM-UHFFFAOYSA-N 0 3 264.319 3.344 20 30 CGEDHN COc1cc(CNCc2cccc3c2CCC3)ccc1C#N ZINC000593630393 347097404 /nfs/dbraw/zinc/09/74/04/347097404.db2.gz MDNHSENRNKHTEZ-UHFFFAOYSA-N 0 3 292.382 3.345 20 30 CGEDHN COc1ccc2c(c1)C[C@H](NCC1(C#N)CCCC1)CC2 ZINC000593653523 347100324 /nfs/dbraw/zinc/10/03/24/347100324.db2.gz PCPVLYUFRAJQPI-MRXNPFEDSA-N 0 3 284.403 3.226 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCCC1 ZINC000593654578 347101408 /nfs/dbraw/zinc/10/14/08/347101408.db2.gz IPBJYOJTEAOVGJ-OWCLPIDISA-N 0 3 276.424 3.255 20 30 CGEDHN COc1c(C)cnc(CN2CCC(CCC#N)CC2)c1C ZINC000399356047 346587731 /nfs/dbraw/zinc/58/77/31/346587731.db2.gz NZVVQXUZFNTBHC-UHFFFAOYSA-N 0 3 287.407 3.223 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cc3c(s2)CCCC3)C1 ZINC000584568797 346683293 /nfs/dbraw/zinc/68/32/93/346683293.db2.gz QANINZXLBBWWRR-DGCLKSJQSA-N 0 3 260.406 3.409 20 30 CGEDHN CC[C@@H](NCCCC#N)c1cc(OC)c(OC)c(OC)c1 ZINC000593708590 347105394 /nfs/dbraw/zinc/10/53/94/347105394.db2.gz WVVXCQKQSZPNRJ-CYBMUJFWSA-N 0 3 292.379 3.057 20 30 CGEDHN Cc1cc(C)n(CCNC2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594030986 347139847 /nfs/dbraw/zinc/13/98/47/347139847.db2.gz CJXLOKKLSIHEMD-UHFFFAOYSA-N 0 3 294.402 3.041 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000594045106 347144023 /nfs/dbraw/zinc/14/40/23/347144023.db2.gz TZCDHCSGNYYVQE-HOTGVXAUSA-N 0 3 276.355 3.135 20 30 CGEDHN N#Cc1ccc(N[C@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594600446 347200156 /nfs/dbraw/zinc/20/01/56/347200156.db2.gz LFSXTGIYKUIPSA-JKSUJKDBSA-N 0 3 273.355 3.126 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCCC1CC1 ZINC000594400292 347172728 /nfs/dbraw/zinc/17/27/28/347172728.db2.gz AUXNZLWOZDEXQY-INIZCTEOSA-N 0 3 270.376 3.065 20 30 CGEDHN CCCCN(C(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594425434 347173805 /nfs/dbraw/zinc/17/38/05/347173805.db2.gz IXFZIWNAOTUSJE-INIZCTEOSA-N 0 3 287.407 3.231 20 30 CGEDHN CC(C)c1cccc(N(C)C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594431148 347173821 /nfs/dbraw/zinc/17/38/21/347173821.db2.gz ILMONYUSCUVHQD-INIZCTEOSA-N 0 3 287.407 3.184 20 30 CGEDHN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594440355 347174795 /nfs/dbraw/zinc/17/47/95/347174795.db2.gz YHAGVQBUZYLWRN-HRCADAONSA-N 0 3 293.455 3.119 20 30 CGEDHN C=C(C)COCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594497199 347179478 /nfs/dbraw/zinc/17/94/78/347179478.db2.gz DORRUFLDXCKRNG-UHFFFAOYSA-N 0 3 272.392 3.170 20 30 CGEDHN C=C1CCN(C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000594754334 347216381 /nfs/dbraw/zinc/21/63/81/347216381.db2.gz ONNYCRPJWLGWCS-KRWDZBQOSA-N 0 3 289.419 3.004 20 30 CGEDHN CN(C)CCSCc1ccc(C#N)cc1C(F)(F)F ZINC000594892188 347221986 /nfs/dbraw/zinc/22/19/86/347221986.db2.gz REOMFNVHODFHKR-UHFFFAOYSA-N 0 3 288.338 3.372 20 30 CGEDHN CC[C@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000594952616 347239194 /nfs/dbraw/zinc/23/91/94/347239194.db2.gz XLLYGIGUVHPUTL-HOTGVXAUSA-N 0 3 270.376 3.095 20 30 CGEDHN C=CCCSCCNCc1ccc(C)c(OC)c1 ZINC000594960173 347241327 /nfs/dbraw/zinc/24/13/27/347241327.db2.gz MBGAKDUCRDKGBO-UHFFFAOYSA-N 0 3 265.422 3.403 20 30 CGEDHN CSc1cc(Cl)ccc1NC(=O)[C@H](N)CCCC#N ZINC000595255890 347285658 /nfs/dbraw/zinc/28/56/58/347285658.db2.gz JQAYFGFXQMYJJM-SNVBAGLBSA-N 0 3 297.811 3.022 20 30 CGEDHN COc1ccc2c(c1)CN(CCc1ccc(C#N)cc1)CC2 ZINC000595294899 347288734 /nfs/dbraw/zinc/28/87/34/347288734.db2.gz UFIPSXHISDDOSM-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN C[C@@H](c1cccnc1)N(C)CCc1ccc(C#N)cc1 ZINC000595393095 347298727 /nfs/dbraw/zinc/29/87/27/347298727.db2.gz WHFOKUJFLVJZOU-AWEZNQCLSA-N 0 3 265.360 3.189 20 30 CGEDHN COCC[C@H]1CCC[C@H]1NCC1(C#N)CCCCC1 ZINC000595090534 347280204 /nfs/dbraw/zinc/28/02/04/347280204.db2.gz HISQHDMRSSGYNG-HUUCEWRRSA-N 0 3 264.413 3.255 20 30 CGEDHN COC1([C@@H](C)NCC2(C#N)CCCCC2)CCCC1 ZINC000595091265 347280282 /nfs/dbraw/zinc/28/02/82/347280282.db2.gz OXOVVISCKPFOAI-CQSZACIVSA-N 0 3 264.413 3.398 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCCCC2)C1(C)C ZINC000595090482 347280620 /nfs/dbraw/zinc/28/06/20/347280620.db2.gz GFBIYSNDBNKDFY-KGLIPLIRSA-N 0 3 264.413 3.254 20 30 CGEDHN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000595093567 347281732 /nfs/dbraw/zinc/28/17/32/347281732.db2.gz CCVSECHWQZJNAL-QZTJIDSGSA-N 0 3 284.403 3.340 20 30 CGEDHN CCOc1ccc(OCCN2CCC[C@H](CC#N)C2)cc1 ZINC000595609536 347326258 /nfs/dbraw/zinc/32/62/58/347326258.db2.gz MAXGUQKKEKKPNJ-OAHLLOKOSA-N 0 3 288.391 3.090 20 30 CGEDHN C=CCC1(NCc2occc2C(=O)OC)CCCC1 ZINC000595779596 347354969 /nfs/dbraw/zinc/35/49/69/347354969.db2.gz BCBRVNKSQSPMCD-UHFFFAOYSA-N 0 3 263.337 3.045 20 30 CGEDHN CCC(CC)CCCN(C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000595831310 347362720 /nfs/dbraw/zinc/36/27/20/347362720.db2.gz NSGCELSSOKRSPI-CQSZACIVSA-N 0 3 293.455 3.086 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000595842873 347366652 /nfs/dbraw/zinc/36/66/52/347366652.db2.gz WAISJWHXONFWKV-GASCZTMLSA-N 0 3 258.321 3.278 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000595845023 347367484 /nfs/dbraw/zinc/36/74/84/347367484.db2.gz KLTBZOKSUJJUHJ-RRQGHBQHSA-N 0 3 295.386 3.068 20 30 CGEDHN C[C@@]1(C#N)CCN(C[C@H]2CCc3ccccc3C2)C1 ZINC000595844568 347367521 /nfs/dbraw/zinc/36/75/21/347367521.db2.gz VBQCKJYEYYPNSF-YOEHRIQHSA-N 0 3 254.377 3.027 20 30 CGEDHN CC1(C)C[C@]1(CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000596050753 347377250 /nfs/dbraw/zinc/37/72/50/347377250.db2.gz OGTSOCJVJRCDKS-QAPCUYQASA-N 0 3 281.403 3.387 20 30 CGEDHN Cc1ccc(C#N)nc1N[C@H](C)CN(C)Cc1ccccc1 ZINC000596186764 347395850 /nfs/dbraw/zinc/39/58/50/347395850.db2.gz VRSYROIBASJKHS-OAHLLOKOSA-N 0 3 294.402 3.194 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc3c2CCC3)C1 ZINC000597177493 347545237 /nfs/dbraw/zinc/54/52/37/347545237.db2.gz NDLDVKXSMIOJBV-AWEZNQCLSA-N 0 3 254.377 3.301 20 30 CGEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597138656 347539609 /nfs/dbraw/zinc/53/96/09/347539609.db2.gz BBPSCAWAIKHXIN-GOSISDBHSA-N 0 3 297.446 3.158 20 30 CGEDHN N#Cc1csc(CN2CCC[C@@H](CCF)C2)c1 ZINC000597210439 347555265 /nfs/dbraw/zinc/55/52/65/347555265.db2.gz HADWPJLFJUMRNB-NSHDSACASA-N 0 3 252.358 3.191 20 30 CGEDHN CC[C@H](C)N(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000597854168 347595108 /nfs/dbraw/zinc/59/51/08/347595108.db2.gz CYBCVTUKVRMYOE-GOEBONIOSA-N 0 3 272.392 3.406 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598208530 347635336 /nfs/dbraw/zinc/63/53/36/347635336.db2.gz OBRXFWISNJBIOJ-OWSLCNJRSA-N 0 3 296.414 3.311 20 30 CGEDHN COc1ccc(F)c(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000598676496 347677960 /nfs/dbraw/zinc/67/79/60/347677960.db2.gz JAYPNCUYONDILM-DGCLKSJQSA-N 0 3 262.328 3.006 20 30 CGEDHN COc1ccc(CNCC2(CC#N)CC2)cc1OC1CC1 ZINC000598975634 347703187 /nfs/dbraw/zinc/70/31/87/347703187.db2.gz PAEPLPQOWDCXRP-UHFFFAOYSA-N 0 3 286.375 3.020 20 30 CGEDHN C=CCCSCCNCc1ccncc1Cl ZINC000598979873 347703256 /nfs/dbraw/zinc/70/32/56/347703256.db2.gz DRMAZGHWIKNPDO-UHFFFAOYSA-N 0 3 256.802 3.134 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@]23C[C@H]2COC3(C)C)cc1 ZINC000598987884 347704384 /nfs/dbraw/zinc/70/43/84/347704384.db2.gz NDYUTIPBNDDEEM-MAUKXSAKSA-N 0 3 284.403 3.145 20 30 CGEDHN C/C=C\CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000599006384 347706113 /nfs/dbraw/zinc/70/61/13/347706113.db2.gz WIBOJCXQQIFOAF-IHWYPQMZSA-N 0 3 280.375 3.129 20 30 CGEDHN CCc1ccc([C@H]2CCCN2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592296 347667432 /nfs/dbraw/zinc/66/74/32/347667432.db2.gz IZPSVRRFQZDFPD-UKRRQHHQSA-N 0 3 290.407 3.280 20 30 CGEDHN Cc1cccc(C2=CCN(C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598601997 347670077 /nfs/dbraw/zinc/67/00/77/347670077.db2.gz YQPYEYBMYDXOPO-GOSISDBHSA-N 0 3 298.430 3.385 20 30 CGEDHN COc1ccc([C@@H]2CCN([C@@H](C)CCC#N)C2)cc1F ZINC000599680150 347765411 /nfs/dbraw/zinc/76/54/11/347765411.db2.gz RXOARYVCYQVHDQ-GXTWGEPZSA-N 0 3 276.355 3.316 20 30 CGEDHN CCO[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000599272941 347731288 /nfs/dbraw/zinc/73/12/88/347731288.db2.gz UEPHNXBCKWNIPU-SFHVURJKSA-N 0 3 284.403 3.338 20 30 CGEDHN CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000599329636 347736263 /nfs/dbraw/zinc/73/62/63/347736263.db2.gz AWODYMZELYCPQJ-HOTGVXAUSA-N 0 3 284.403 3.124 20 30 CGEDHN Cc1ccc(CN2CCC[C@@](CO)(C(C)C)C2)cc1C#N ZINC000599428975 347743791 /nfs/dbraw/zinc/74/37/91/347743791.db2.gz MGADVLOOYPOFOY-GOSISDBHSA-N 0 3 286.419 3.097 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H](C)C1(F)F ZINC000599512428 347749427 /nfs/dbraw/zinc/74/94/27/347749427.db2.gz JRFRWIHUUXGMDX-VXGBXAGGSA-N 0 3 264.319 3.281 20 30 CGEDHN N#CCc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000599552665 347753914 /nfs/dbraw/zinc/75/39/14/347753914.db2.gz LUKISJSFQKDTBQ-UHFFFAOYSA-N 0 3 264.319 3.374 20 30 CGEDHN Cc1ccc(-c2ccc([C@@H]3CNCCO3)cc2)cc1C#N ZINC000600794267 347837348 /nfs/dbraw/zinc/83/73/48/347837348.db2.gz QYLRKXODLCBWPM-SFHVURJKSA-N 0 3 278.355 3.195 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000601305494 347890683 /nfs/dbraw/zinc/89/06/83/347890683.db2.gz WMRDKJAEPUFKRF-GVXVVHGQSA-N 0 3 285.347 3.266 20 30 CGEDHN C[C@H](NC[C@H]1CC(C)(C)CO1)c1cccc(C#N)c1 ZINC000601940428 347927244 /nfs/dbraw/zinc/92/72/44/347927244.db2.gz MZZJVTGEAWYBBW-SWLSCSKDSA-N 0 3 258.365 3.024 20 30 CGEDHN C[C@H](Cc1ccsc1)NCc1cccc(F)c1C#N ZINC000602007122 347932384 /nfs/dbraw/zinc/93/23/84/347932384.db2.gz MWWQHASJDOCMSR-LLVKDONJSA-N 0 3 274.364 3.480 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@H]1CCOc2ccccc21 ZINC000602007337 347932406 /nfs/dbraw/zinc/93/24/06/347932406.db2.gz NXEOQVVGDBSBQP-CQSZACIVSA-N 0 3 296.345 3.353 20 30 CGEDHN CC(NCc1cccc(F)c1C#N)(C1CC1)C1CC1 ZINC000602028848 347934935 /nfs/dbraw/zinc/93/49/35/347934935.db2.gz QXVJAWHEWPLKHV-UHFFFAOYSA-N 0 3 258.340 3.366 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000602428138 347956501 /nfs/dbraw/zinc/95/65/01/347956501.db2.gz GEJZTXYQPFWUND-WGLAMXGCSA-N 0 3 297.446 3.257 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000602428136 347956539 /nfs/dbraw/zinc/95/65/39/347956539.db2.gz GEJZTXYQPFWUND-OPUMOTSWSA-N 0 3 297.446 3.257 20 30 CGEDHN COc1cc2c(cc1OC)CN(C[C@H](C)CCC#N)CC2 ZINC000602431405 347957188 /nfs/dbraw/zinc/95/71/88/347957188.db2.gz CYQZCGSZQXNGDO-CYBMUJFWSA-N 0 3 288.391 3.002 20 30 CGEDHN C=CCN(CCC[C@H]1CCO1)Cc1cccc(C#N)c1 ZINC000602455264 347960808 /nfs/dbraw/zinc/96/08/08/347960808.db2.gz QXUDVKJNJTWGAH-KRWDZBQOSA-N 0 3 270.376 3.115 20 30 CGEDHN C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1cccc(C#N)n1 ZINC000602477945 347964777 /nfs/dbraw/zinc/96/47/77/347964777.db2.gz UTXATQGLAHAEKG-RDJZCZTQSA-N 0 3 291.398 3.406 20 30 CGEDHN CC[C@H](C)[C@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602475488 347965218 /nfs/dbraw/zinc/96/52/18/347965218.db2.gz BVEVMGNYRNRXDO-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H](CCC#N)CN1CCOC2(C1)CCCCCC2 ZINC000602480113 347966455 /nfs/dbraw/zinc/96/64/55/347966455.db2.gz SWMWOLJMTQUGKZ-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN CCCC1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602522842 347974762 /nfs/dbraw/zinc/97/47/62/347974762.db2.gz YIDKRPKZRARQHU-UHFFFAOYSA-N 0 3 257.381 3.402 20 30 CGEDHN CCCOc1cccc(CCNCc2cccc(C#N)n2)c1 ZINC000602581139 347988175 /nfs/dbraw/zinc/98/81/75/347988175.db2.gz DXCYZQHHJUBKRC-UHFFFAOYSA-N 0 3 295.386 3.074 20 30 CGEDHN N#Cc1cccc(CNCC2(Cc3ccc(F)cc3)CC2)n1 ZINC000602582103 347988240 /nfs/dbraw/zinc/98/82/40/347988240.db2.gz KZJNOFSOYDNFFB-UHFFFAOYSA-N 0 3 295.361 3.205 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCC(C)(C)C#N)C12CCC2 ZINC000602608189 347992994 /nfs/dbraw/zinc/99/29/94/347992994.db2.gz QVZFNRVWARONLU-QWHCGFSZSA-N 0 3 264.413 3.252 20 30 CGEDHN CC1(NCc2cccc(C#N)n2)CCC(F)(F)CC1 ZINC000602611589 347993878 /nfs/dbraw/zinc/99/38/78/347993878.db2.gz XRVUZVLMDIDMCD-UHFFFAOYSA-N 0 3 265.307 3.011 20 30 CGEDHN C[C@@H](CC1CCCCC1)NCc1cccc(C#N)n1 ZINC000602636106 347997619 /nfs/dbraw/zinc/99/76/19/347997619.db2.gz GHLGDPQTHJJDPK-ZDUSSCGKSA-N 0 3 257.381 3.402 20 30 CGEDHN Cc1cscc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602642421 347999627 /nfs/dbraw/zinc/99/96/27/347999627.db2.gz XPGZDCWMNKKYHJ-ZDUSSCGKSA-N 0 3 278.421 3.245 20 30 CGEDHN CC[C@H](C)[C@@H](CNCc1ccc(C#N)c(Cl)c1)OC ZINC000602659975 348003610 /nfs/dbraw/zinc/00/36/10/348003610.db2.gz ZKKQENKKOPDPHI-XHDPSFHLSA-N 0 3 280.799 3.362 20 30 CGEDHN CC(C)[C@H]1N(Cc2cccc(C#N)n2)CC12CCCC2 ZINC000602686903 348009106 /nfs/dbraw/zinc/00/91/06/348009106.db2.gz SBQUGRLWNBEMCL-MRXNPFEDSA-N 0 3 269.392 3.354 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc3ccc(F)c(F)c3n2)C1 ZINC000602695409 348011395 /nfs/dbraw/zinc/01/13/95/348011395.db2.gz STHIWBNIUNZWDX-CMPLNLGQSA-N 0 3 287.313 3.295 20 30 CGEDHN C[C@H](CCC#N)CNCc1cccc(OC2CC2)c1F ZINC000602708811 348014435 /nfs/dbraw/zinc/01/44/35/348014435.db2.gz MLZRNEHGULZCBI-GFCCVEGCSA-N 0 3 276.355 3.396 20 30 CGEDHN C=CCCSCCNCc1nc2ccccc2nc1C ZINC000602710619 348015203 /nfs/dbraw/zinc/01/52/03/348015203.db2.gz NIHPGLKPWJUBJE-UHFFFAOYSA-N 0 3 287.432 3.337 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000602731882 348019971 /nfs/dbraw/zinc/01/99/71/348019971.db2.gz YKAGKPAUPWZNSI-QZTJIDSGSA-N 0 3 277.371 3.379 20 30 CGEDHN N#Cc1ccc(CN2CCC(Cc3nccs3)CC2)cc1 ZINC000602735840 348021827 /nfs/dbraw/zinc/02/18/27/348021827.db2.gz ZHWFCQJSINGRLK-UHFFFAOYSA-N 0 3 297.427 3.469 20 30 CGEDHN CCC[C@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602747543 348022925 /nfs/dbraw/zinc/02/29/25/348022925.db2.gz AKANNOJGJOLLJE-GOSISDBHSA-N 0 3 285.435 3.102 20 30 CGEDHN C[C@@H](CCC#N)CN[C@@H](CF)c1ccc(F)cc1 ZINC000602750177 348023178 /nfs/dbraw/zinc/02/31/78/348023178.db2.gz FKKXEPSNRRPWDV-FZMZJTMJSA-N 0 3 252.308 3.366 20 30 CGEDHN CC(C)=CCC[C@@H](C)CCN1CCN(CCC#N)CC1 ZINC000602748751 348023312 /nfs/dbraw/zinc/02/33/12/348023312.db2.gz RMCVWTNMSYWHJQ-QGZVFWFLSA-N 0 3 277.456 3.290 20 30 CGEDHN N#CCC1(CN2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000602772818 348025998 /nfs/dbraw/zinc/02/59/98/348025998.db2.gz KUQDBFMJWOSAIS-AWEZNQCLSA-N 0 3 284.359 3.246 20 30 CGEDHN CC(C)c1ccccc1OCCNCc1cccc(C#N)n1 ZINC000602551013 347980654 /nfs/dbraw/zinc/98/06/54/347980654.db2.gz AYQAXMYODGZUHM-UHFFFAOYSA-N 0 3 295.386 3.245 20 30 CGEDHN CCO[C@H](CCNCc1cccc(C#N)n1)C1CCCC1 ZINC000602563049 347983099 /nfs/dbraw/zinc/98/30/99/347983099.db2.gz DGELEFYAFBEKTP-QGZVFWFLSA-N 0 3 287.407 3.028 20 30 CGEDHN N#CCC1(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000602804065 348031656 /nfs/dbraw/zinc/03/16/56/348031656.db2.gz HSXNEVOERNHOAD-KRWDZBQOSA-N 0 3 298.386 3.192 20 30 CGEDHN CC1=C(c2ccco2)CN(CC2(CC#N)CC2)CC1 ZINC000602824720 348033800 /nfs/dbraw/zinc/03/38/00/348033800.db2.gz PSUPOZJAMNFIGQ-UHFFFAOYSA-N 0 3 256.349 3.453 20 30 CGEDHN N#CCC1(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000602831952 348034922 /nfs/dbraw/zinc/03/49/22/348034922.db2.gz MGTYXKGBDFWYCG-HNNXBMFYSA-N 0 3 290.794 3.487 20 30 CGEDHN C[C@@H](c1cccnc1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911363 348043737 /nfs/dbraw/zinc/04/37/37/348043737.db2.gz YNYYSHJAAAMKEJ-AWEZNQCLSA-N 0 3 292.386 3.289 20 30 CGEDHN COc1cncc(/C=C\CCN(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602982618 348052354 /nfs/dbraw/zinc/05/23/54/348052354.db2.gz VOFOUBGFCGUEJX-HQVKWAHHSA-N 0 3 285.391 3.118 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000605738795 348167345 /nfs/dbraw/zinc/16/73/45/348167345.db2.gz YMQSRORZNOUJAO-GOSISDBHSA-N 0 3 288.435 3.398 20 30 CGEDHN CC(C)(C)OCCNCc1cccc(OCCCC#N)c1 ZINC000608861148 348333160 /nfs/dbraw/zinc/33/31/60/348333160.db2.gz XNRNUSKRVDNORS-UHFFFAOYSA-N 0 3 290.407 3.274 20 30 CGEDHN Cc1cccc2ncc(CN[C@H](C)c3cccc(C#N)c3)n21 ZINC000610512306 348386894 /nfs/dbraw/zinc/38/68/94/348386894.db2.gz VHCSYZXJLXQBGG-CQSZACIVSA-N 0 3 290.370 3.365 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000609920510 348357585 /nfs/dbraw/zinc/35/75/85/348357585.db2.gz NMQFLINPYRERQZ-YGRLFVJLSA-N 0 3 288.347 3.252 20 30 CGEDHN CCCCN(C(=O)C(C)C#N)[C@H](C)c1ccc(C)o1 ZINC000609920751 348357692 /nfs/dbraw/zinc/35/76/92/348357692.db2.gz GOGJCFAXFKSUJW-WCQYABFASA-N 0 3 262.353 3.437 20 30 CGEDHN COc1ccc(CN2CC[C@H](c3ccco3)C2)cc1C#N ZINC000610992823 348415131 /nfs/dbraw/zinc/41/51/31/348415131.db2.gz MLTOXGLRFSKKGK-AWEZNQCLSA-N 0 3 282.343 3.149 20 30 CGEDHN CCC[C@@H]1[C@H](C)CCCN1Cc1ccnc(C#N)c1 ZINC000610994980 348417042 /nfs/dbraw/zinc/41/70/42/348417042.db2.gz QFLWJMWCWZTDKM-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN N#Cc1ccc(CN2CCC(c3cccnc3)CC2)cc1 ZINC000611258869 348432219 /nfs/dbraw/zinc/43/22/19/348432219.db2.gz XCGQDEHQGQYDQA-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](CO)c1ccccc1 ZINC000611392795 348445393 /nfs/dbraw/zinc/44/53/93/348445393.db2.gz MKSNHNBJULCRHZ-RTBURBONSA-N 0 3 292.382 3.259 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000611403433 348446903 /nfs/dbraw/zinc/44/69/03/348446903.db2.gz LLVWMPKFFPWPHQ-WFASDCNBSA-N 0 3 260.337 3.437 20 30 CGEDHN CC[C@H](C)Oc1cc(CNCCCC#N)ccc1OC ZINC000612194917 348501078 /nfs/dbraw/zinc/50/10/78/348501078.db2.gz BUGOPGDCCFFVMI-ZDUSSCGKSA-N 0 3 276.380 3.266 20 30 CGEDHN C[C@H]1[C@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614176820 348655221 /nfs/dbraw/zinc/65/52/21/348655221.db2.gz LXMAESKHZOFSRZ-GJZGRUSLSA-N 0 3 285.435 3.012 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(CC1CCCCC1)C1CC1 ZINC000613501944 348612245 /nfs/dbraw/zinc/61/22/45/348612245.db2.gz OJRJNGGSWOKZBF-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000615120057 348716015 /nfs/dbraw/zinc/71/60/15/348716015.db2.gz OIAWJKJPYZYJPO-KURKYZTESA-N 0 3 281.403 3.431 20 30 CGEDHN CCO[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000614461759 348678274 /nfs/dbraw/zinc/67/82/74/348678274.db2.gz VVPKOPLIVGACTK-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN CCn1ccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000616129666 348788840 /nfs/dbraw/zinc/78/88/40/348788840.db2.gz PDSCPZLHXYEDJA-UHFFFAOYSA-N 0 3 253.349 3.012 20 30 CGEDHN C[C@@H](NC1CCN(CC#N)CC1)c1csc(Cl)c1 ZINC000615756375 348763729 /nfs/dbraw/zinc/76/37/29/348763729.db2.gz DNZDDXABPRPZKY-SNVBAGLBSA-N 0 3 283.828 3.040 20 30 CGEDHN COC1(C[C@@H](C)NCc2ccc(C#N)cc2F)CCC1 ZINC000617574364 348975859 /nfs/dbraw/zinc/97/58/59/348975859.db2.gz GEUUOFGMQYBUGW-GFCCVEGCSA-N 0 3 276.355 3.135 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccnc(C#N)c2)C1(CC)CC ZINC000617541712 348966005 /nfs/dbraw/zinc/96/60/05/348966005.db2.gz PJYBQRFORWGRDN-HOTGVXAUSA-N 0 3 287.407 3.027 20 30 CGEDHN Cn1cc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)C(C)(C)C)cn1 ZINC000618601560 349118998 /nfs/dbraw/zinc/11/89/98/349118998.db2.gz LFJUXRVZYNUIFX-YUELXQCFSA-N 0 3 274.412 3.179 20 30 CGEDHN CN(C)CCOc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000618900462 349177885 /nfs/dbraw/zinc/17/78/85/349177885.db2.gz IIHIRFUFPQHXBL-UHFFFAOYSA-N 0 3 266.344 3.166 20 30 CGEDHN CC(C)(C)[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000619516689 349255107 /nfs/dbraw/zinc/25/51/07/349255107.db2.gz MDGNMVMPENTIFO-AWEZNQCLSA-N 0 3 257.381 3.211 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)NCCCC1(C#N)CCOCC1 ZINC000619621108 349263230 /nfs/dbraw/zinc/26/32/30/349263230.db2.gz FXPOKRHJASWYRG-GFCCVEGCSA-N 0 3 291.395 3.043 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000619672773 349269196 /nfs/dbraw/zinc/26/91/96/349269196.db2.gz ZCKHPFPJLWQDJR-NEWSRXKRSA-N 0 3 297.446 3.495 20 30 CGEDHN CC[C@H](C)N1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784600 349284976 /nfs/dbraw/zinc/28/49/76/349284976.db2.gz DMQXYJSYTAQTAH-XJKSGUPXSA-N 0 3 291.826 3.321 20 30 CGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccsc1 ZINC000619782915 349285187 /nfs/dbraw/zinc/28/51/87/349285187.db2.gz BWRVZKTYWXVUCB-LBPRGKRZSA-N 0 3 272.373 3.349 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CN(C)C)cc1 ZINC000620310576 349355672 /nfs/dbraw/zinc/35/56/72/349355672.db2.gz QFHQODFKJZYXKT-CALCHBBNSA-N 0 3 284.403 3.071 20 30 CGEDHN N#CC(C(=O)c1cc(C2CC2)[nH]c1C1CC1)c1ccncn1 ZINC000626392782 350301863 /nfs/dbraw/zinc/30/18/63/350301863.db2.gz BVMBRIGQXJHZTM-CYBMUJFWSA-N 0 3 292.342 3.050 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cccc3c2OCCCO3)C1 ZINC000628405998 350529927 /nfs/dbraw/zinc/52/99/27/350529927.db2.gz ZMSSQLBVIQRXSF-AWEZNQCLSA-N 0 3 273.376 3.246 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000628405927 350530091 /nfs/dbraw/zinc/53/00/91/350530091.db2.gz XTDCPHWQOGGMDX-ZDUSSCGKSA-N 0 3 261.365 3.102 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000628406531 350530139 /nfs/dbraw/zinc/53/01/39/350530139.db2.gz LIALYKOLSFASMN-ZDUSSCGKSA-N 0 3 259.397 3.172 20 30 CGEDHN C=CC[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000628486891 350555709 /nfs/dbraw/zinc/55/57/09/350555709.db2.gz SJDSEAZXIUCXTR-INIZCTEOSA-N 0 3 298.430 3.321 20 30 CGEDHN C=CCN(C(=O)c1ccc(CN2CCCC2)cc1)C1CC1 ZINC000271402634 191118837 /nfs/dbraw/zinc/11/88/37/191118837.db2.gz MYEKKEMSQQVAHB-UHFFFAOYSA-N 0 3 284.403 3.073 20 30 CGEDHN C=CC[C@H]1N(C(=O)CN(C)C2CCC2)CCCC1(C)C ZINC000629987505 350795676 /nfs/dbraw/zinc/79/56/76/350795676.db2.gz NHXJLFPOULFKDF-OAHLLOKOSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](CCC)c1cc(C)ccn1 ZINC000631603512 351087229 /nfs/dbraw/zinc/08/72/29/351087229.db2.gz RJPLFFGWSICZAF-GJZGRUSLSA-N 0 3 262.397 3.005 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCC(O)CC3)CC2)cc1 ZINC000295158457 199378064 /nfs/dbraw/zinc/37/80/64/199378064.db2.gz RWVUDUIFBRFHJV-UHFFFAOYSA-N 0 3 284.403 3.075 20 30 CGEDHN C=CCN(CCCc1nc(-c2ccccc2)no1)C1CC1 ZINC000271474566 191159013 /nfs/dbraw/zinc/15/90/13/191159013.db2.gz RRPGDZWXYPTFRM-UHFFFAOYSA-N 0 3 283.375 3.320 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000367381907 234210413 /nfs/dbraw/zinc/21/04/13/234210413.db2.gz ZSGUTIRSOZIFMD-MSOLQXFVSA-N 0 3 284.403 3.197 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000367381910 234210792 /nfs/dbraw/zinc/21/07/92/234210792.db2.gz ZSGUTIRSOZIFMD-ZWKOTPCHSA-N 0 3 284.403 3.197 20 30 CGEDHN C=C(C)CN1CCC(N[C@@H](C)c2cccnc2Cl)CC1 ZINC000152977411 188057280 /nfs/dbraw/zinc/05/72/80/188057280.db2.gz ZMAYGSIXWWWVSO-ZDUSSCGKSA-N 0 3 293.842 3.426 20 30 CGEDHN CC#CCCN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000155031900 188177111 /nfs/dbraw/zinc/17/71/11/188177111.db2.gz IGAGDOOXMHEZLS-HNNXBMFYSA-N 0 3 273.376 3.254 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(F)c(F)c1 ZINC000155621068 188217419 /nfs/dbraw/zinc/21/74/19/188217419.db2.gz WRFCQDQQXVUGFN-LLVKDONJSA-N 0 3 255.308 3.208 20 30 CGEDHN CC#CCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000155642144 188218514 /nfs/dbraw/zinc/21/85/14/188218514.db2.gz HUZIIJYHPRAMSA-KRWDZBQOSA-N 0 3 291.822 3.499 20 30 CGEDHN CC#CCCN1CCC(N(C)c2ccccc2)CC1 ZINC000155948775 188236901 /nfs/dbraw/zinc/23/69/01/188236901.db2.gz GBHWRBLEVMKEGR-UHFFFAOYSA-N 0 3 256.393 3.001 20 30 CGEDHN CC#CCCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000155775069 188226657 /nfs/dbraw/zinc/22/66/57/188226657.db2.gz XLKQODQHLMGGSY-LBPRGKRZSA-N 0 3 250.411 3.420 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)s1 ZINC000369596582 234387543 /nfs/dbraw/zinc/38/75/43/234387543.db2.gz JLQDILJOKMZIEU-XHSDSOJGSA-N 0 3 290.432 3.135 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2cn[nH]c21)c1cccc(C#N)c1 ZINC000271885162 191389548 /nfs/dbraw/zinc/38/95/48/191389548.db2.gz QMJZLSYTEUJDRN-ABAIWWIYSA-N 0 3 266.348 3.010 20 30 CGEDHN Cc1ccccc1[C@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000271865601 191377369 /nfs/dbraw/zinc/37/73/69/191377369.db2.gz VAHOERGETYVQCF-KBXCAEBGSA-N 0 3 280.371 3.251 20 30 CGEDHN N#Cc1cccc(Cl)c1N1CC[C@@H](N2CCCCC2)C1 ZINC000361023720 283207047 /nfs/dbraw/zinc/20/70/47/283207047.db2.gz YTCOBOJHOFHLPS-CQSZACIVSA-N 0 3 289.810 3.276 20 30 CGEDHN C[C@H](NCCOC1CCCC1)c1cccc(C#N)c1 ZINC000108942626 138361121 /nfs/dbraw/zinc/36/11/21/138361121.db2.gz FWUWHGKFIQEXNP-ZDUSSCGKSA-N 0 3 258.365 3.168 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)s1)Oc1cccc(F)c1 ZINC000176976979 189017823 /nfs/dbraw/zinc/01/78/23/189017823.db2.gz QLTBUOVGVOGXLR-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000177906855 189078477 /nfs/dbraw/zinc/07/84/77/189078477.db2.gz DEXVYFDMYDYJJO-LBPRGKRZSA-N 0 3 280.362 3.266 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cn(C)nc2C)cc1 ZINC000178717818 189139852 /nfs/dbraw/zinc/13/98/52/189139852.db2.gz HUUYWVROZSNFSB-UONOGXRCSA-N 0 3 297.402 3.152 20 30 CGEDHN CC[C@H](C)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000451824546 240366503 /nfs/dbraw/zinc/36/65/03/240366503.db2.gz PGDKQXGNQMCARJ-GJZGRUSLSA-N 0 3 271.408 3.035 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](CC)c1ccc(F)cc1F ZINC000179632793 189209243 /nfs/dbraw/zinc/20/92/43/189209243.db2.gz DKPXUDWDCNCCAE-WFASDCNBSA-N 0 3 269.335 3.333 20 30 CGEDHN COc1ccccc1CCN(C)CCC(C)(C)C#N ZINC000119633390 370693648 /nfs/dbraw/zinc/69/36/48/370693648.db2.gz JFXJIGLGCFLHDY-UHFFFAOYSA-N 0 3 260.381 3.109 20 30 CGEDHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000183057746 189344580 /nfs/dbraw/zinc/34/45/80/189344580.db2.gz XDIOGUWXCAAQDI-GHMZBOCLSA-N 0 3 293.798 3.174 20 30 CGEDHN Cc1cc(CN[C@H]2COc3ccc(F)cc3C2)ccc1C#N ZINC000342413830 216343095 /nfs/dbraw/zinc/34/30/95/216343095.db2.gz BTNOGRHUJQIFCF-QGZVFWFLSA-N 0 3 296.345 3.099 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000119960950 370726068 /nfs/dbraw/zinc/72/60/68/370726068.db2.gz BQBUZEFKUMUJLF-GFCCVEGCSA-N 0 3 299.399 3.299 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000120233333 370751771 /nfs/dbraw/zinc/75/17/71/370751771.db2.gz XWUJSZHDYBPGMF-GJZGRUSLSA-N 0 3 295.448 3.183 20 30 CGEDHN C[C@@]12CN(Cc3cc(C#N)ccc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451355876 240280566 /nfs/dbraw/zinc/28/05/66/240280566.db2.gz CUZJRSHZEFBURR-VKZRIFJHSA-N 0 3 282.362 3.341 20 30 CGEDHN CC(C)[C@@H](CO)[C@@H](NCc1cccc(F)c1C#N)C(C)C ZINC000451600705 240333959 /nfs/dbraw/zinc/33/39/59/240333959.db2.gz SLXGEQKFIITPRY-WBVHZDCISA-N 0 3 292.398 3.076 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CCCO)CC1 ZINC000275767906 193123518 /nfs/dbraw/zinc/12/35/18/193123518.db2.gz YNRXZOWAZPQUMF-CQSZACIVSA-N 0 3 272.392 3.104 20 30 CGEDHN C=CCCCN(C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000121154075 370835449 /nfs/dbraw/zinc/83/54/49/370835449.db2.gz DVJFEJPQMSAKEA-UHFFFAOYSA-N 0 3 272.396 3.410 20 30 CGEDHN C[C@@H]1CCC[C@H](NCc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1C ZINC000459415783 242100354 /nfs/dbraw/zinc/10/03/54/242100354.db2.gz XEZNIXPHVHACMK-JMSVASOKSA-N 0 3 287.363 3.381 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2OC(F)F)c(F)c1 ZINC000337286074 376192227 /nfs/dbraw/zinc/19/22/27/376192227.db2.gz KJFUFDMDVHVVDK-KBPBESRZSA-N 0 3 298.308 3.337 20 30 CGEDHN C[C@@H](COCC(F)(F)F)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353274005 220002612 /nfs/dbraw/zinc/00/26/12/220002612.db2.gz NXGVSDWNABPKQC-IINYFYTJSA-N 0 3 298.308 3.103 20 30 CGEDHN C=C[C@H](CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000124206043 370922025 /nfs/dbraw/zinc/92/20/25/370922025.db2.gz GWUADPXWYUGVJE-UXLLHSPISA-N 0 3 298.430 3.088 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H](COC)C2)c1 ZINC000124729763 370926939 /nfs/dbraw/zinc/92/69/39/370926939.db2.gz WMHBIOUWMXAVSE-INIZCTEOSA-N 0 3 275.392 3.110 20 30 CGEDHN COc1ccc(CCNCc2ccc(C#N)cc2F)cc1 ZINC000020044650 368796229 /nfs/dbraw/zinc/79/62/29/368796229.db2.gz DSAHTEVCDHUFMD-UHFFFAOYSA-N 0 3 284.334 3.038 20 30 CGEDHN N#Cc1cccc(CNCc2ccc3ncccc3c2)c1 ZINC000037749418 369104354 /nfs/dbraw/zinc/10/43/54/369104354.db2.gz IVFRMZHDGTYTMK-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN Cc1cc(CNCc2ccc(C#N)cc2)ccc1F ZINC000049956649 369425238 /nfs/dbraw/zinc/42/52/38/369425238.db2.gz LJAGKYZNUWRSSF-UHFFFAOYSA-N 0 3 254.308 3.296 20 30 CGEDHN CC(C)(CCC#N)CNCc1cccc2c1OCCCO2 ZINC000128479178 370964037 /nfs/dbraw/zinc/96/40/37/370964037.db2.gz HLCODUQCALMXDP-UHFFFAOYSA-N 0 3 288.391 3.267 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCCCC1 ZINC000057683925 369545043 /nfs/dbraw/zinc/54/50/43/369545043.db2.gz LVHMUSFUZSZASF-INIZCTEOSA-N 0 3 270.376 3.162 20 30 CGEDHN CCC(C)(C)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072633237 369831646 /nfs/dbraw/zinc/83/16/46/369831646.db2.gz CKOAXASSFYIAFY-UHFFFAOYSA-N 0 3 284.363 3.229 20 30 CGEDHN N#CCCCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381979 369946857 /nfs/dbraw/zinc/94/68/57/369946857.db2.gz IUAZFDLAEUZOFV-AWEZNQCLSA-N 0 3 272.348 3.246 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CN1C1CC1 ZINC000090665833 370063668 /nfs/dbraw/zinc/06/36/68/370063668.db2.gz HKYXBIGXNVAWJD-KYJSFNMBSA-N 0 3 283.419 3.246 20 30 CGEDHN C=CC1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000093359192 370118074 /nfs/dbraw/zinc/11/80/74/370118074.db2.gz BHOPQTKXULXEJB-UHFFFAOYSA-N 0 3 291.391 3.110 20 30 CGEDHN C#CCN(Cc1ccc(O[C@H](C)C#N)cc1)C1CCCC1 ZINC000093819756 370161616 /nfs/dbraw/zinc/16/16/16/370161616.db2.gz ISBDWZFEBLTXER-OAHLLOKOSA-N 0 3 282.387 3.355 20 30 CGEDHN CCCCCCCC(=O)NC[C@@H](N)c1ccccc1 ZINC000111234281 370394588 /nfs/dbraw/zinc/39/45/88/370394588.db2.gz KTMDUWGDQDDAIV-OAHLLOKOSA-N 0 3 262.397 3.163 20 30 CGEDHN C=CCN(CC(=O)N1CCCC[C@@H]1C)CC1CCCCC1 ZINC000112607379 370437222 /nfs/dbraw/zinc/43/72/22/370437222.db2.gz PUJPQYZVJLNQJA-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN Cc1cc(CN[C@@H]2CCC[C@H]2OC(F)F)ccc1C#N ZINC000337299790 376201351 /nfs/dbraw/zinc/20/13/51/376201351.db2.gz PHOFQAHRBFDVGC-ZIAGYGMSSA-N 0 3 280.318 3.117 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](n2cccn2)C1 ZINC000118396730 370613431 /nfs/dbraw/zinc/61/34/31/370613431.db2.gz JCJWAJJRSAEHNX-YOEHRIQHSA-N 0 3 280.375 3.153 20 30 CGEDHN CC[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000130396450 371029833 /nfs/dbraw/zinc/02/98/33/371029833.db2.gz XDNUTHWSNUUICP-OAHLLOKOSA-N 0 3 258.365 3.331 20 30 CGEDHN C=CCOc1ccccc1CN(C)[C@H]1CCSC1 ZINC000130548436 371043003 /nfs/dbraw/zinc/04/30/03/371043003.db2.gz DAIFQNXUIYLDNB-AWEZNQCLSA-N 0 3 263.406 3.189 20 30 CGEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000130602866 371045175 /nfs/dbraw/zinc/04/51/75/371045175.db2.gz PKOYEBNKILLNKP-MRXNPFEDSA-N 0 3 280.375 3.235 20 30 CGEDHN C[C@H](C[C@@H](O)c1cccs1)NCc1ccc(C#N)s1 ZINC000131134839 371085648 /nfs/dbraw/zinc/08/56/48/371085648.db2.gz JREMSVPVMTVZAL-ZWNOBZJWSA-N 0 3 292.429 3.283 20 30 CGEDHN C=CCOc1cccc(CN(CC)C[C@@H]2CCCO2)c1 ZINC000131778873 371129850 /nfs/dbraw/zinc/12/98/50/371129850.db2.gz KLFSQVPJBMYCAU-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCCN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000132394810 371172388 /nfs/dbraw/zinc/17/23/88/371172388.db2.gz FZQMFNQYOSNMLI-OAHLLOKOSA-N 0 3 261.365 3.417 20 30 CGEDHN C=CCCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000132928174 371212488 /nfs/dbraw/zinc/21/24/88/371212488.db2.gz JDPOAJMEVYOQLK-UHFFFAOYSA-N 0 3 283.375 3.492 20 30 CGEDHN CC[C@H]1CCCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000134725129 371361647 /nfs/dbraw/zinc/36/16/47/371361647.db2.gz GNGJETDCLLAIIH-INIZCTEOSA-N 0 3 285.391 3.151 20 30 CGEDHN CC(C)COCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000337307489 376206154 /nfs/dbraw/zinc/20/61/54/376206154.db2.gz WORDQTZXOALTAX-UHFFFAOYSA-N 0 3 284.403 3.320 20 30 CGEDHN COc1ccc(CN2CCCC[C@@H](SC)C2)cc1C#N ZINC000135216034 371401661 /nfs/dbraw/zinc/40/16/61/371401661.db2.gz YRKILPDYISEAPH-OAHLLOKOSA-N 0 3 290.432 3.284 20 30 CGEDHN N#Cc1ccc(CNCCCN2CCc3ccccc32)s1 ZINC000135674581 371442969 /nfs/dbraw/zinc/44/29/69/371442969.db2.gz WUVZWIFMSKISCN-UHFFFAOYSA-N 0 3 297.427 3.162 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3cccnc32)s1 ZINC000135688260 371444651 /nfs/dbraw/zinc/44/46/51/371444651.db2.gz MFGDONILVIDHFN-UHFFFAOYSA-N 0 3 279.368 3.458 20 30 CGEDHN C=CC[C@@H](CC)N[C@H](C)c1cc(OC)ncc1F ZINC000287206345 371620186 /nfs/dbraw/zinc/62/01/86/371620186.db2.gz WQLNIYYHAPOATD-GHMZBOCLSA-N 0 3 252.333 3.235 20 30 CGEDHN COc1ccc(CCNCc2ccc(C#N)o2)c(Cl)c1 ZINC000151943692 371656424 /nfs/dbraw/zinc/65/64/24/371656424.db2.gz HYUCAMHLSUFULL-UHFFFAOYSA-N 0 3 290.750 3.146 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337320632 214004972 /nfs/dbraw/zinc/00/49/72/214004972.db2.gz ZDFDTACYRFXSPY-UONOGXRCSA-N 0 3 280.318 3.198 20 30 CGEDHN C[C@@H](O)CN(Cc1ccc(C#N)s1)C1CCCCC1 ZINC000130708674 296180689 /nfs/dbraw/zinc/18/06/89/296180689.db2.gz BFCUOXUNXUYSSC-GFCCVEGCSA-N 0 3 278.421 3.135 20 30 CGEDHN CN(CC#Cc1ccc(F)cc1)CC1(O)CCCCCC1 ZINC000426225541 372151106 /nfs/dbraw/zinc/15/11/06/372151106.db2.gz JJUMGOKAMYXJKC-UHFFFAOYSA-N 0 3 289.394 3.194 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)COC ZINC000426394137 372156354 /nfs/dbraw/zinc/15/63/54/372156354.db2.gz CUMLOGAMDOEEFV-UHFFFAOYSA-N 0 3 292.379 3.255 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1cccc(OCCOC)c1 ZINC000426570848 372165438 /nfs/dbraw/zinc/16/54/38/372165438.db2.gz PIOVEXPPQHXCAI-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2C)sc1C ZINC000160086687 372210452 /nfs/dbraw/zinc/21/04/52/372210452.db2.gz XRFWFSJSQRRVPV-GFCCVEGCSA-N 0 3 285.372 3.314 20 30 CGEDHN C#Cc1ccc(CN2CCC(C)(OCC)CC2)cc1 ZINC000292856289 372227468 /nfs/dbraw/zinc/22/74/68/372227468.db2.gz UTMKQDYJPFNFNJ-UHFFFAOYSA-N 0 3 257.377 3.059 20 30 CGEDHN CN(CCOc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000160512913 372253321 /nfs/dbraw/zinc/25/33/21/372253321.db2.gz BGPACDHCJHMTKU-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN C=CCN(CCC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000429336489 372352772 /nfs/dbraw/zinc/35/27/72/372352772.db2.gz VOXKUQKWFITOFH-UHFFFAOYSA-N 0 3 278.783 3.319 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nc2ccccc2o1 ZINC000429727556 372377841 /nfs/dbraw/zinc/37/78/41/372377841.db2.gz VIBWNHFHXKBBBA-AWEZNQCLSA-N 0 3 287.407 3.329 20 30 CGEDHN COc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)CCC2 ZINC000430730335 372393341 /nfs/dbraw/zinc/39/33/41/372393341.db2.gz ALXGVHPKPURLLF-MRXNPFEDSA-N 0 3 270.376 3.356 20 30 CGEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433117200 372582189 /nfs/dbraw/zinc/58/21/89/372582189.db2.gz NAEJSLLEZGFCIX-GOSISDBHSA-N 0 3 292.382 3.384 20 30 CGEDHN C[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433118989 372582288 /nfs/dbraw/zinc/58/22/88/372582288.db2.gz DQJRSTJFFTYDMU-GDBMZVCRSA-N 0 3 270.376 3.017 20 30 CGEDHN CC[C@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433344431 372596020 /nfs/dbraw/zinc/59/60/20/372596020.db2.gz RTUHUEZPVLCKFL-HOCLYGCPSA-N 0 3 272.392 3.263 20 30 CGEDHN CN(C(=O)C(C#N)CCc1ccccc1)C(C1CC1)C1CC1 ZINC000433341828 372596648 /nfs/dbraw/zinc/59/66/48/372596648.db2.gz IWUXHUDOJKOSBL-KRWDZBQOSA-N 0 3 296.414 3.406 20 30 CGEDHN CC1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433377116 372599731 /nfs/dbraw/zinc/59/97/31/372599731.db2.gz UXZQEZRWCNKNHH-HNNXBMFYSA-N 0 3 270.376 3.017 20 30 CGEDHN CCN(CC)Cc1ccc(C#N)cc1OC(F)F ZINC000433794387 372631465 /nfs/dbraw/zinc/63/14/65/372631465.db2.gz XOSIVNLPLHTWCH-UHFFFAOYSA-N 0 3 254.280 3.001 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(CC)CCC1)C(C)C ZINC000434268837 372665514 /nfs/dbraw/zinc/66/55/14/372665514.db2.gz XXAYPWGNDFJBGC-INIZCTEOSA-N 0 3 292.467 3.382 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccnc1 ZINC000171146623 372720878 /nfs/dbraw/zinc/72/08/78/372720878.db2.gz NNELGLVKWLHGQK-UHFFFAOYSA-N 0 3 265.360 3.364 20 30 CGEDHN Cc1ncccc1CNCCSCc1ccccc1C#N ZINC000171415980 372754744 /nfs/dbraw/zinc/75/47/44/372754744.db2.gz COMVMXRHESPMEE-UHFFFAOYSA-N 0 3 297.427 3.285 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)nc2ccccc21 ZINC000435592654 372781593 /nfs/dbraw/zinc/78/15/93/372781593.db2.gz MPTFYHTVXRMITL-KSSFIOAISA-N 0 3 282.387 3.358 20 30 CGEDHN CC(C)OCCCN(C)CC#Cc1cccc(Cl)c1 ZINC000438063204 372867937 /nfs/dbraw/zinc/86/79/37/372867937.db2.gz YYBKDYMTKMTSAS-UHFFFAOYSA-N 0 3 279.811 3.438 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C(C)C)C2)cc1C#N ZINC000438326670 372926012 /nfs/dbraw/zinc/92/60/12/372926012.db2.gz JOWXAMCNKXAJTQ-HNNXBMFYSA-N 0 3 272.392 3.435 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@H]3COCC[C@H]32)c1 ZINC000438517177 372968645 /nfs/dbraw/zinc/96/86/45/372968645.db2.gz XZTGLXUYTSERPE-DOTOQJQBSA-N 0 3 289.806 3.192 20 30 CGEDHN C=CCN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000441176511 372998549 /nfs/dbraw/zinc/99/85/49/372998549.db2.gz MCHSPNDDQXFLRI-YJBOKZPZSA-N 0 3 287.451 3.108 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000442780894 373080790 /nfs/dbraw/zinc/08/07/90/373080790.db2.gz HIQMJFCKAFHQBI-IWCQGFGOSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCc1ccccc1O ZINC000442902592 373125429 /nfs/dbraw/zinc/12/54/29/373125429.db2.gz WMXPPPVRJCGLCM-CQSZACIVSA-N 0 3 280.371 3.499 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCC=C(C)C)CC1 ZINC000296570846 373181961 /nfs/dbraw/zinc/18/19/61/373181961.db2.gz XVCQRUZPQAXZGD-OAHLLOKOSA-N 0 3 293.455 3.071 20 30 CGEDHN COc1ccc(CNC[C@@H](C)Oc2ccccc2)cc1C#N ZINC000174393706 373306916 /nfs/dbraw/zinc/30/69/16/373306916.db2.gz RRKQKXBXPRBFOG-CQSZACIVSA-N 0 3 296.370 3.124 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](CC)c2ccncc2)cc1 ZINC000174436674 373316314 /nfs/dbraw/zinc/31/63/14/373316314.db2.gz CPTZYSQPIHKDRG-SFHVURJKSA-N 0 3 280.371 3.335 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccncc1 ZINC000174436882 373317037 /nfs/dbraw/zinc/31/70/37/373317037.db2.gz FQZZBVGXSHZBLE-MRXNPFEDSA-N 0 3 251.333 3.194 20 30 CGEDHN N#Cc1ccc(S[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000298454465 373332253 /nfs/dbraw/zinc/33/22/53/373332253.db2.gz SMIUPGMGZMXJLJ-MRXNPFEDSA-N 0 3 295.411 3.320 20 30 CGEDHN COc1ccccc1O[C@H](C)CNCc1cccc(C#N)c1 ZINC000174607780 373344808 /nfs/dbraw/zinc/34/48/08/373344808.db2.gz PLGZUMQWKVXTEX-CQSZACIVSA-N 0 3 296.370 3.124 20 30 CGEDHN Cc1c(CN[C@H]2CCC[C@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000446796073 373361656 /nfs/dbraw/zinc/36/16/56/373361656.db2.gz KDCKGFPLZSEFIA-JSGCOSHPSA-N 0 3 273.336 3.075 20 30 CGEDHN CCC[C@@]1(COC)CCCN1Cc1cccc(C#N)c1F ZINC000447401935 373436085 /nfs/dbraw/zinc/43/60/85/373436085.db2.gz DQUOKXXOTWTZEU-KRWDZBQOSA-N 0 3 290.382 3.478 20 30 CGEDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc(F)cc1C#N ZINC000447803654 373493434 /nfs/dbraw/zinc/49/34/34/373493434.db2.gz BDHMHEXYIKBZCM-HNNXBMFYSA-N 0 3 275.371 3.230 20 30 CGEDHN CC(C)(C)CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000301079845 373652871 /nfs/dbraw/zinc/65/28/71/373652871.db2.gz KCSPFTVQNKCYHL-UHFFFAOYSA-N 0 3 271.408 3.116 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H](C)c1nnc2n1CCC2 ZINC000449228855 373672993 /nfs/dbraw/zinc/67/29/93/373672993.db2.gz WLAMDEQNARWFOZ-CHWSQXEVSA-N 0 3 262.401 3.010 20 30 CGEDHN C[C@H](CNc1ccc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000301153024 373676848 /nfs/dbraw/zinc/67/68/48/373676848.db2.gz QAGPEQMXBPQPIP-QWHCGFSZSA-N 0 3 275.371 3.230 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@]2(CCOC2)C1 ZINC000449687650 373840242 /nfs/dbraw/zinc/84/02/42/373840242.db2.gz QPQATWVWBHSUFD-SFHVURJKSA-N 0 3 287.403 3.254 20 30 CGEDHN C[C@H]1CCCN(C(C)(C)CNc2c(C#N)cccc2C#N)C1 ZINC000302888873 373999739 /nfs/dbraw/zinc/99/97/39/373999739.db2.gz OSUCHLGWNMKYCE-AWEZNQCLSA-N 0 3 296.418 3.352 20 30 CGEDHN C[C@H](c1ccccc1)[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000450224906 374008133 /nfs/dbraw/zinc/00/81/33/374008133.db2.gz DQVYHGATVDVWPG-BEFAXECRSA-N 0 3 294.398 3.155 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000450224907 374008286 /nfs/dbraw/zinc/00/82/86/374008286.db2.gz DQVYHGATVDVWPG-DNVCBOLYSA-N 0 3 294.398 3.155 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000180454965 374011318 /nfs/dbraw/zinc/01/13/18/374011318.db2.gz AZSAUGXIKBINQM-NSHDSACASA-N 0 3 269.385 3.404 20 30 CGEDHN CN1CCN(Cc2ccc(C#N)s2)C2(CCCCC2)C1 ZINC000180253370 373983182 /nfs/dbraw/zinc/98/31/82/373983182.db2.gz JUVFZWCXRWYDHK-UHFFFAOYSA-N 0 3 289.448 3.070 20 30 CGEDHN C[C@H]1[C@H](Nc2cccc(Cl)c2C#N)CCCN1C ZINC000450434199 374127261 /nfs/dbraw/zinc/12/72/61/374127261.db2.gz GCEYGPGGFPNIPW-GXFFZTMASA-N 0 3 263.772 3.106 20 30 CGEDHN C=CCC[C@@H](O)CNC1(c2ccc(Cl)cc2)CC1 ZINC000305761802 374106973 /nfs/dbraw/zinc/10/69/73/374106973.db2.gz FBYGSGFLKAEKKF-CQSZACIVSA-N 0 3 265.784 3.246 20 30 CGEDHN CC(C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000307783991 374152594 /nfs/dbraw/zinc/15/25/94/374152594.db2.gz XCXCGHHVVLSXEX-GDBMZVCRSA-N 0 3 299.418 3.253 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](CC(C)C)C1 ZINC000307784167 374153147 /nfs/dbraw/zinc/15/31/47/374153147.db2.gz XUSOYFNVNCIDCC-OAHLLOKOSA-N 0 3 272.392 3.435 20 30 CGEDHN CCN(CC1(C#N)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000450747595 374176670 /nfs/dbraw/zinc/17/66/70/374176670.db2.gz PHYCAEGAPHYOLB-GOSISDBHSA-N 0 3 297.446 3.277 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(Cl)c1F ZINC000451607641 374205127 /nfs/dbraw/zinc/20/51/27/374205127.db2.gz LCKXNZZABCMSKB-BIMULSAOSA-N 0 3 269.747 3.473 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)ccc1C ZINC000451613081 374205543 /nfs/dbraw/zinc/20/55/43/374205543.db2.gz MDBILTCJOAAGBH-KGLIPLIRSA-N 0 3 296.208 3.191 20 30 CGEDHN C[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccc(C#N)cc1 ZINC000314406302 374317574 /nfs/dbraw/zinc/31/75/74/374317574.db2.gz VMFGJFKXLSUWPB-CZUORRHYSA-N 0 3 294.354 3.049 20 30 CGEDHN C=CC(C)(C)CNCc1cc(O)ccc1Br ZINC000315109177 374324623 /nfs/dbraw/zinc/32/46/23/374324623.db2.gz KZKJYPPWJRCHAS-UHFFFAOYSA-N 0 3 284.197 3.457 20 30 CGEDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000315503903 374328691 /nfs/dbraw/zinc/32/86/91/374328691.db2.gz CSKPAUCTBSWEQG-UHFFFAOYSA-N 0 3 295.342 3.141 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000320377732 374351463 /nfs/dbraw/zinc/35/14/63/374351463.db2.gz KLJQYJINRBHRQK-ZYHUDNBSSA-N 0 3 271.763 3.457 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2cc(F)ccc21 ZINC000183338341 374403880 /nfs/dbraw/zinc/40/38/80/374403880.db2.gz RAYYSPKNCKVNGY-INIZCTEOSA-N 0 3 263.356 3.385 20 30 CGEDHN N#Cc1ccsc1NC(=O)CCN1CCC12CCC2 ZINC000329784968 374430239 /nfs/dbraw/zinc/43/02/39/374430239.db2.gz PQXNXIBLAZHIKA-UHFFFAOYSA-N 0 3 275.377 3.226 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2ccc(O)cc2)CC1 ZINC000091506743 541966954 /nfs/dbraw/zinc/96/69/54/541966954.db2.gz MCDCASXMCKFCKS-OAHLLOKOSA-N 0 3 274.408 3.259 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000334225319 206217039 /nfs/dbraw/zinc/21/70/39/206217039.db2.gz YKHHTBOTIBUHNN-CYBMUJFWSA-N 0 3 250.292 3.226 20 30 CGEDHN C=CCC1(C(=O)Nc2cc(C)cc(CN)c2)CCC1 ZINC000457385701 374647249 /nfs/dbraw/zinc/64/72/49/374647249.db2.gz VRLNMHQFSIZBEL-UHFFFAOYSA-N 0 3 258.365 3.139 20 30 CGEDHN Cc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)n(C)n1 ZINC000334235801 374661543 /nfs/dbraw/zinc/66/15/43/374661543.db2.gz HFKVRIFENFKXNS-SFHVURJKSA-N 0 3 294.402 3.158 20 30 CGEDHN N#Cc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185474611 374669457 /nfs/dbraw/zinc/66/94/57/374669457.db2.gz IKGPNQXEFQXKDE-UHFFFAOYSA-N 0 3 292.382 3.042 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000185752537 374729843 /nfs/dbraw/zinc/72/98/43/374729843.db2.gz JOVBJMINIJTDKI-UHOSZYNNSA-N 0 3 297.446 3.495 20 30 CGEDHN CCC[C@H](NCCOc1ccc(C#N)cc1)c1cccnc1 ZINC000186079965 374795079 /nfs/dbraw/zinc/79/50/79/374795079.db2.gz MALPOOYMRRBPLO-SFHVURJKSA-N 0 3 295.386 3.463 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1F)N1CCC[C@@]2(CCOC2)C1 ZINC000334531259 374826972 /nfs/dbraw/zinc/82/69/72/374826972.db2.gz QYZBSYRYLJGOLI-SUMWQHHRSA-N 0 3 288.366 3.261 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CCCC1 ZINC000334565657 374865300 /nfs/dbraw/zinc/86/53/00/374865300.db2.gz QBTCRSRZQUNYMG-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccccc1Br ZINC000186704308 374901170 /nfs/dbraw/zinc/90/11/70/374901170.db2.gz ZQYWMHWLUOVWRH-GHMZBOCLSA-N 0 3 284.197 3.037 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000186684468 374898897 /nfs/dbraw/zinc/89/88/97/374898897.db2.gz CBTGVWCAXIDXHA-JSGCOSHPSA-N 0 3 289.375 3.419 20 30 CGEDHN N#CC1(CCN2CCS[C@H]3COCC[C@@H]32)CCCCC1 ZINC000334562565 374861648 /nfs/dbraw/zinc/86/16/48/374861648.db2.gz MZQCRBKNIPQMHP-GJZGRUSLSA-N 0 3 294.464 3.057 20 30 CGEDHN CC(C)COc1ccc(C(C)(C)NC(=O)C(C)C#N)cc1 ZINC000468798405 374983918 /nfs/dbraw/zinc/98/39/18/374983918.db2.gz BXDKVHJYADJNOO-CYBMUJFWSA-N 0 3 288.391 3.232 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)C(C)(C)c1ccccc1 ZINC000469740858 374990949 /nfs/dbraw/zinc/99/09/49/374990949.db2.gz BVZFOXQBCDPXOI-OCCSQVGLSA-N 0 3 258.365 3.019 20 30 CGEDHN CCCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000469637887 374991171 /nfs/dbraw/zinc/99/11/71/374991171.db2.gz RGEKWUHESZLEQX-OAHLLOKOSA-N 0 3 272.392 3.454 20 30 CGEDHN N#Cc1cc(Cl)ccc1CN(CCO)C1CCCCC1 ZINC000187309851 375001998 /nfs/dbraw/zinc/00/19/98/375001998.db2.gz YOOXAHFWBGMXBS-UHFFFAOYSA-N 0 3 292.810 3.339 20 30 CGEDHN CC(C)(O)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000187508147 375032621 /nfs/dbraw/zinc/03/26/21/375032621.db2.gz MWAXNLNIHCMGPA-UHFFFAOYSA-N 0 3 280.371 3.075 20 30 CGEDHN C=C(CC)CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473441993 375049644 /nfs/dbraw/zinc/04/96/44/375049644.db2.gz LQVSSMWMUGJAEP-UHFFFAOYSA-N 0 3 277.383 3.161 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@H](C)NC(C)(C)CC)c1 ZINC000475621298 375135224 /nfs/dbraw/zinc/13/52/24/375135224.db2.gz OOMZMOCUMYBCCL-ZDUSSCGKSA-N 0 3 290.407 3.357 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000481348056 375163873 /nfs/dbraw/zinc/16/38/73/375163873.db2.gz MXVDJMZCOBUIIX-RDJZCZTQSA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@H](CO)N(CC#Cc1ccc(Cl)cc1)CC1CCC1 ZINC000483154845 375175484 /nfs/dbraw/zinc/17/54/84/375175484.db2.gz VSVFTCNHZCWOON-CQSZACIVSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCN(CCOC)CCOc1cccc2ccccc21 ZINC000484676391 375188911 /nfs/dbraw/zinc/18/89/11/375188911.db2.gz GNIDXQOERZNCMU-UHFFFAOYSA-N 0 3 285.387 3.353 20 30 CGEDHN COCCN(CC#Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC000484874768 375189325 /nfs/dbraw/zinc/18/93/25/375189325.db2.gz YHBKATKBAPEGLT-AEFFLSMTSA-N 0 3 271.404 3.175 20 30 CGEDHN CCc1ccc([C@H]2CCCCCN2C(=O)C(C)C#N)o1 ZINC000335265019 375257959 /nfs/dbraw/zinc/25/79/59/375257959.db2.gz UWBNPOHCGWKONX-TZMCWYRMSA-N 0 3 274.364 3.445 20 30 CGEDHN Cc1cc([C@H](C)NCc2cc(C#N)n(C)c2)c(C)s1 ZINC000189586445 375418944 /nfs/dbraw/zinc/41/89/44/375418944.db2.gz CXIAXVCBGRFZFM-NSHDSACASA-N 0 3 273.405 3.426 20 30 CGEDHN CC#CCCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496758623 375555042 /nfs/dbraw/zinc/55/50/42/375555042.db2.gz YFSKZRSLPBJGTB-AWEZNQCLSA-N 0 3 286.375 3.049 20 30 CGEDHN C=CCN(CCOC)CCSc1ccc(F)cc1 ZINC000191117339 375579774 /nfs/dbraw/zinc/57/97/74/375579774.db2.gz ARMMGEWLLCBCEN-UHFFFAOYSA-N 0 3 269.385 3.052 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000191148150 375585288 /nfs/dbraw/zinc/58/52/88/375585288.db2.gz XTIRESOOAWETEA-UHFFFAOYSA-N 0 3 299.418 3.124 20 30 CGEDHN Cn1cc(CN2CCC[C@](C)(c3ccccc3)C2)cc1C#N ZINC000191367536 375619364 /nfs/dbraw/zinc/61/93/64/375619364.db2.gz LRMHRTJQRVMDIC-IBGZPJMESA-N 0 3 293.414 3.450 20 30 CGEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccc(C#N)cc1F ZINC000191669678 375649439 /nfs/dbraw/zinc/64/94/39/375649439.db2.gz KNZVHAQUUHMYGQ-KRWDZBQOSA-N 0 3 290.382 3.070 20 30 CGEDHN C=CCC[C@H](O)CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503433296 375651184 /nfs/dbraw/zinc/65/11/84/375651184.db2.gz PMFDQBJKIKCNIZ-VBNZEHGJSA-N 0 3 279.811 3.492 20 30 CGEDHN C=CCN(CCOC)Cc1cccc(-c2ccccn2)c1 ZINC000191760458 375661461 /nfs/dbraw/zinc/66/14/61/375661461.db2.gz UBPORJQGDRVREL-UHFFFAOYSA-N 0 3 282.387 3.383 20 30 CGEDHN CN(C)c1cccc(CN(C)Cc2ccc(C#N)c(F)c2)c1 ZINC000192119553 375700159 /nfs/dbraw/zinc/70/01/59/375700159.db2.gz KHEPOVZAFCGYDU-UHFFFAOYSA-N 0 3 297.377 3.395 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)CCC ZINC000512180005 375795060 /nfs/dbraw/zinc/79/50/60/375795060.db2.gz NHZPFPVCKMVGBA-ZDUSSCGKSA-N 0 3 251.370 3.339 20 30 CGEDHN CC(C)N(CC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC000193200229 375838263 /nfs/dbraw/zinc/83/82/63/375838263.db2.gz WSSHTOUHJZYRQX-UHFFFAOYSA-N 0 3 285.391 3.007 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000529539549 375928588 /nfs/dbraw/zinc/92/85/88/375928588.db2.gz CKNFQFDGZGQCOL-UHFFFAOYSA-N 0 3 253.349 3.294 20 30 CGEDHN CCO[C@@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000194464075 376007040 /nfs/dbraw/zinc/00/70/40/376007040.db2.gz WZFCZZUSRVLMSG-INIZCTEOSA-N 0 3 286.400 3.487 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cscn1)C(C)C ZINC000535779650 376058438 /nfs/dbraw/zinc/05/84/38/376058438.db2.gz OWRDIDRHZNUKKZ-GDBMZVCRSA-N 0 3 293.480 3.492 20 30 CGEDHN C=CCN1CC[C@@H](N(CCC)[C@@H]2CCc3ccccc32)C1=O ZINC000337122544 376083755 /nfs/dbraw/zinc/08/37/55/376083755.db2.gz BLXAGKGLEKBGFM-QZTJIDSGSA-N 0 3 298.430 3.173 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000216167228 376158135 /nfs/dbraw/zinc/15/81/35/376158135.db2.gz LRGUWABWDOKGDY-INIZCTEOSA-N 0 3 288.435 3.322 20 30 CGEDHN C=CCCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000338546103 376419313 /nfs/dbraw/zinc/41/93/13/376419313.db2.gz KTESQAKOFHEQPV-KGLIPLIRSA-N 0 3 286.202 3.459 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C)[C@@H]2C)cc1C#N ZINC000227238443 376386721 /nfs/dbraw/zinc/38/67/21/376386721.db2.gz RUXDSQRWWLUTFH-STQMWFEESA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@H](NC[C@H]1Cc2ccccc2O1)c1ccc(C#N)c(F)c1 ZINC000540768042 376395123 /nfs/dbraw/zinc/39/51/23/376395123.db2.gz SBTMSDAYTOEHSJ-BLLLJJGKSA-N 0 3 296.345 3.352 20 30 CGEDHN C[C@H](CNc1c(F)cc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000228383324 376435718 /nfs/dbraw/zinc/43/57/18/376435718.db2.gz WLZFPUXNKDOYLK-VXGBXAGGSA-N 0 3 293.361 3.369 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nccs3)C2)C1 ZINC000338947319 376594070 /nfs/dbraw/zinc/59/40/70/376594070.db2.gz DZFICXANRWSXNJ-FRRDWIJNSA-N 0 3 261.394 3.015 20 30 CGEDHN CCc1ccccc1CNCc1ccc(C#N)c(OC)c1 ZINC000234122014 376610184 /nfs/dbraw/zinc/61/01/84/376610184.db2.gz QZMZICVUVDUNNW-UHFFFAOYSA-N 0 3 280.371 3.419 20 30 CGEDHN CC[C@H](O)CN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000264502001 190114405 /nfs/dbraw/zinc/11/44/05/190114405.db2.gz YCYKAJWWFUWUMH-IBGZPJMESA-N 0 3 294.398 3.331 20 30 CGEDHN C[C@@H]1C[C@]1(NCCOCCC#N)c1ccc(Cl)cc1 ZINC000339157804 376716123 /nfs/dbraw/zinc/71/61/23/376716123.db2.gz VBBUYSMWZMMZKB-IUODEOHRSA-N 0 3 278.783 3.095 20 30 CGEDHN CC[C@@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000544455091 376740194 /nfs/dbraw/zinc/74/01/94/376740194.db2.gz NSAPQLMEJFNWSS-CVEARBPZSA-N 0 3 277.795 3.239 20 30 CGEDHN CC(C)n1cc([C@H](C)NCCOc2cccc(C#N)c2)cn1 ZINC000544468453 376740653 /nfs/dbraw/zinc/74/06/53/376740653.db2.gz KZVGGBWFCWRYAK-AWEZNQCLSA-N 0 3 298.390 3.065 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](C)N1C ZINC000339622742 376777126 /nfs/dbraw/zinc/77/71/26/376777126.db2.gz JPMPMJHLFBQDBB-GJZGRUSLSA-N 0 3 285.435 3.012 20 30 CGEDHN Cc1cc(CN2CCC[C@@](CO)(C(C)C)C2)ccc1C#N ZINC000339712359 376819807 /nfs/dbraw/zinc/81/98/07/376819807.db2.gz QSOTWJJOHXADQW-GOSISDBHSA-N 0 3 286.419 3.097 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1c(C)cccc1C ZINC000545520333 376829299 /nfs/dbraw/zinc/82/92/99/376829299.db2.gz FQFURJQBNUEMGH-INIZCTEOSA-N 0 3 288.435 3.379 20 30 CGEDHN C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CN1C1CC1 ZINC000246348219 377013872 /nfs/dbraw/zinc/01/38/72/377013872.db2.gz HKYXBIGXNVAWJD-UWWQBHOKSA-N 0 3 283.419 3.246 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CCCC[C@H]2C1 ZINC000246498955 377042427 /nfs/dbraw/zinc/04/24/27/377042427.db2.gz ZCBIYQZQTJDXFY-KBMXLJTQSA-N 0 3 297.402 3.007 20 30 CGEDHN C[C@@H](CNc1snc(Cl)c1C#N)CN1CCCCC1 ZINC000264789843 190134942 /nfs/dbraw/zinc/13/49/42/190134942.db2.gz AIRKIIRNWDJPRZ-JTQLQIEISA-N 0 3 298.843 3.202 20 30 CGEDHN C=CCC[C@H](O)CN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000247636754 377229158 /nfs/dbraw/zinc/22/91/58/377229158.db2.gz VGHOFARZSGAICO-PVAVHDDUSA-N 0 3 291.460 3.492 20 30 CGEDHN C=CCN(CCOC)Cc1cccc2ccccc21 ZINC000561634879 377236867 /nfs/dbraw/zinc/23/68/67/377236867.db2.gz MHXDRIYIIKQPMH-UHFFFAOYSA-N 0 3 255.361 3.474 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216234 377421611 /nfs/dbraw/zinc/42/16/11/377421611.db2.gz UATZHDSIRIIMRA-BXUZGUMPSA-N 0 3 273.336 3.087 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@H]1CCCC[C@H]1O ZINC000567990317 377512067 /nfs/dbraw/zinc/51/20/67/377512067.db2.gz SLKPHBFGVJPPGN-HZPDHXFCSA-N 0 3 266.429 3.189 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000568101759 377513743 /nfs/dbraw/zinc/51/37/43/377513743.db2.gz UAIZNVXMWOVELN-UKRRQHHQSA-N 0 3 272.392 3.310 20 30 CGEDHN N#Cc1ccc(NC[C@H]2CCCN2Cc2ccccc2)nc1 ZINC000265148245 190161133 /nfs/dbraw/zinc/16/11/33/190161133.db2.gz SBUPXRPZNLRQPD-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN CCS[C@@H]1CCC[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000570274061 377534387 /nfs/dbraw/zinc/53/43/87/377534387.db2.gz VTOCGCDXDKTPJW-HZSPNIEDSA-N 0 3 265.426 3.084 20 30 CGEDHN COCCN(Cc1ccccc1C#N)[C@H]1CCC[C@H]1C ZINC000487967502 249172124 /nfs/dbraw/zinc/17/21/24/249172124.db2.gz ZEEMNMUQILUWAL-PBHICJAKSA-N 0 3 272.392 3.195 20 30 CGEDHN C[C@@H](N(C)Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000517238460 249260678 /nfs/dbraw/zinc/26/06/78/249260678.db2.gz BVHBICULXSPZGB-LLVKDONJSA-N 0 3 275.352 3.333 20 30 CGEDHN C=CCCN(C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000342724665 377756374 /nfs/dbraw/zinc/75/63/74/377756374.db2.gz DUAXTEGFBPJODZ-UHFFFAOYSA-N 0 3 278.440 3.064 20 30 CGEDHN Cc1ccnc(NC[C@H](C)N(C)Cc2ccccc2)c1C#N ZINC000343526590 378007497 /nfs/dbraw/zinc/00/74/97/378007497.db2.gz KGWCPZZKRWJTBN-HNNXBMFYSA-N 0 3 294.402 3.194 20 30 CGEDHN C=CCCN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000265987171 190220813 /nfs/dbraw/zinc/22/08/13/190220813.db2.gz IEGIXPIDJBMCES-UHFFFAOYSA-N 0 3 285.290 3.025 20 30 CGEDHN C=CCN(CC=C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343624549 378044568 /nfs/dbraw/zinc/04/45/68/378044568.db2.gz WRLSERDHJFAESF-OAHLLOKOSA-N 0 3 297.406 3.178 20 30 CGEDHN C=CCc1cc(CN[C@@H]2CC2(C)C)cc(OC)c1O ZINC000343646018 378051991 /nfs/dbraw/zinc/05/19/91/378051991.db2.gz UJMNVFNYBFTAOQ-CQSZACIVSA-N 0 3 261.365 3.017 20 30 CGEDHN CCCCC[C@@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000577953490 378025730 /nfs/dbraw/zinc/02/57/30/378025730.db2.gz YZZSMXDIRWPULK-MRXNPFEDSA-N 0 3 297.406 3.146 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000579805867 378196405 /nfs/dbraw/zinc/19/64/05/378196405.db2.gz PJBDRJRZBUJEKX-QZWWFDLISA-N 0 3 282.387 3.064 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](CC2CC2)C1 ZINC000580353194 378245133 /nfs/dbraw/zinc/24/51/33/378245133.db2.gz ZSBWVFIGZFCVKN-QZTJIDSGSA-N 0 3 296.414 3.408 20 30 CGEDHN N#CCc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000269642204 378247760 /nfs/dbraw/zinc/24/77/60/378247760.db2.gz SHUGXHGDXOLQSE-QGZVFWFLSA-N 0 3 297.402 3.098 20 30 CGEDHN CC(C)[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583937253 378359154 /nfs/dbraw/zinc/35/91/54/378359154.db2.gz GPPZXHIZHAADES-AWEZNQCLSA-N 0 3 287.363 3.334 20 30 CGEDHN Cc1cc(CNC2CCC(C#N)(c3ccccc3)CC2)on1 ZINC000271054736 378441794 /nfs/dbraw/zinc/44/17/94/378441794.db2.gz CNLQYZYRGDENQJ-UHFFFAOYSA-N 0 3 295.386 3.477 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C(C)(C)C ZINC000271934424 378523028 /nfs/dbraw/zinc/52/30/28/378523028.db2.gz JRNHHJPABGMLKE-NHYWBVRUSA-N 0 3 278.371 3.409 20 30 CGEDHN C[C@@H](c1ccncc1)N(C)Cc1ccc(OCC#N)cc1 ZINC000271433806 378491133 /nfs/dbraw/zinc/49/11/33/378491133.db2.gz UFKVMTUYGRRGFC-AWEZNQCLSA-N 0 3 281.359 3.177 20 30 CGEDHN Cc1cccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000271812477 378507961 /nfs/dbraw/zinc/50/79/61/378507961.db2.gz BAIRRQZLRVMGLU-KSSFIOAISA-N 0 3 280.371 3.251 20 30 CGEDHN COC1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000346243711 378518123 /nfs/dbraw/zinc/51/81/23/378518123.db2.gz APGXBBLELQZIBD-LMWSTFAQSA-N 0 3 276.355 3.306 20 30 CGEDHN CC(C)(C)[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000346386176 378563506 /nfs/dbraw/zinc/56/35/06/378563506.db2.gz JOABAIKFLLHRHZ-AWEZNQCLSA-N 0 3 282.391 3.074 20 30 CGEDHN COc1ccc2c(c1)CCC[C@H]2N(C)CCCC#N ZINC000346612809 378646744 /nfs/dbraw/zinc/64/67/44/378646744.db2.gz QZOJWJAIMZBHSP-MRXNPFEDSA-N 0 3 258.365 3.308 20 30 CGEDHN C=CCOCCCN1CCC(Oc2ccc(C)cc2)CC1 ZINC000348052337 378767830 /nfs/dbraw/zinc/76/78/30/378767830.db2.gz OAQRKPYUPFRBMD-UHFFFAOYSA-N 0 3 289.419 3.431 20 30 CGEDHN C=C(C)CN(CCCC(=O)OCC)Cc1ccccc1 ZINC000348228322 378850855 /nfs/dbraw/zinc/85/08/55/378850855.db2.gz MGYILKLFIKUBMM-UHFFFAOYSA-N 0 3 275.392 3.408 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)/C(C)=C/C(C)(C)C)CC1 ZINC000274612690 378861706 /nfs/dbraw/zinc/86/17/06/378861706.db2.gz QYPVTYBQRMIPKZ-SDNWHVSQSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN(Cc1ccc2c(c1)COC(C)(C)O2)C1CC1 ZINC000274466119 378837287 /nfs/dbraw/zinc/83/72/87/378837287.db2.gz WCWZMSBOLHALDN-UHFFFAOYSA-N 0 3 273.376 3.482 20 30 CGEDHN C=C(C)CN(C)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000638910117 378950417 /nfs/dbraw/zinc/95/04/17/378950417.db2.gz NHCCOBJXUQUILW-CQSZACIVSA-N 0 3 261.365 3.199 20 30 CGEDHN N#Cc1cccc(OCCN2CC[C@@H]2c2ccccc2)c1 ZINC000348539401 378981805 /nfs/dbraw/zinc/98/18/05/378981805.db2.gz NDPYYVCTWWKOOT-GOSISDBHSA-N 0 3 278.355 3.384 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)C1Cc2ccccc2C1 ZINC000347295723 218180942 /nfs/dbraw/zinc/18/09/42/218180942.db2.gz BWJDJDCEWCRZDF-UHFFFAOYSA-N 0 3 292.382 3.166 20 30 CGEDHN N#Cc1ccccc1CN[C@@H]1CCc2ccccc2OC1 ZINC000370552567 379032051 /nfs/dbraw/zinc/03/20/51/379032051.db2.gz VKAIBMUYCVMXBW-QGZVFWFLSA-N 0 3 278.355 3.042 20 30 CGEDHN C=CCN1CCC(Nc2c(C#N)cnc3ccccc32)CC1 ZINC000266371230 190252431 /nfs/dbraw/zinc/25/24/31/190252431.db2.gz LSCVUERXHHGJAK-UHFFFAOYSA-N 0 3 292.386 3.169 20 30 CGEDHN CC[C@@H](NCc1cccc(CO)c1)c1ccc(C#N)cc1 ZINC000278745081 194136312 /nfs/dbraw/zinc/13/63/12/194136312.db2.gz NNORYYBAZYWKCS-GOSISDBHSA-N 0 3 280.371 3.291 20 30 CGEDHN C[C@@H]1C[C@H](c2cccnc2)N(CCCSCC#N)C1 ZINC000372022321 379187174 /nfs/dbraw/zinc/18/71/74/379187174.db2.gz WWZSWUPTKYRHJT-UKRRQHHQSA-N 0 3 275.421 3.111 20 30 CGEDHN C#CCCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000278856708 194184253 /nfs/dbraw/zinc/18/42/53/194184253.db2.gz RUPCQESXFHDLPZ-UHFFFAOYSA-N 0 3 277.795 3.037 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](c2nccn2C)C2CC2)C1 ZINC000639308696 379259356 /nfs/dbraw/zinc/25/93/56/379259356.db2.gz HUHSTWSDTAWTOJ-ZFWWWQNUSA-N 0 3 259.397 3.159 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccccc2OCC2CC2)C1 ZINC000349802267 379392147 /nfs/dbraw/zinc/39/21/47/379392147.db2.gz NBRDENONOXXAOZ-HOCLYGCPSA-N 0 3 270.376 3.257 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cnn(C)c1C)c1ccc(C#N)cc1 ZINC000278351241 379358815 /nfs/dbraw/zinc/35/88/15/379358815.db2.gz ZGRPCEWWDGELMI-SJCJKPOMSA-N 0 3 282.391 3.402 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccccc1SCC ZINC000349839219 379417492 /nfs/dbraw/zinc/41/74/92/379417492.db2.gz YUKYMJISAIXIKN-CHWSQXEVSA-N 0 3 265.422 3.386 20 30 CGEDHN C=CCN(Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000350259586 379533215 /nfs/dbraw/zinc/53/32/15/379533215.db2.gz CVVACFOPJAFEGZ-UHFFFAOYSA-N 0 3 267.319 3.481 20 30 CGEDHN C=CCOc1cccc(CN2CCC23CCOCC3)c1 ZINC000375730560 379506458 /nfs/dbraw/zinc/50/64/58/379506458.db2.gz JUYBKTRMARNPRA-UHFFFAOYSA-N 0 3 273.376 3.006 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000376047680 379520387 /nfs/dbraw/zinc/52/03/87/379520387.db2.gz VURWFVQDLDYNPI-SLEUVZQESA-N 0 3 274.339 3.321 20 30 CGEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000280467597 379712268 /nfs/dbraw/zinc/71/22/68/379712268.db2.gz MOHPQEJHVJBEPS-INIZCTEOSA-N 0 3 281.359 3.400 20 30 CGEDHN CC1(C)CN(CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000378831688 379857208 /nfs/dbraw/zinc/85/72/08/379857208.db2.gz KHVKNCBTCWDFFT-CVEARBPZSA-N 0 3 297.402 3.007 20 30 CGEDHN N#CC1(F)CCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000352456739 379823742 /nfs/dbraw/zinc/82/37/42/379823742.db2.gz AKQKFUHOGSGGMP-NSHDSACASA-N 0 3 260.303 3.140 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCOC1 ZINC000389040248 379894522 /nfs/dbraw/zinc/89/45/22/379894522.db2.gz QLWJMFXNDTZPMK-RISCZKNCSA-N 0 3 278.783 3.116 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000403507000 379974759 /nfs/dbraw/zinc/97/47/59/379974759.db2.gz BBFFPZRQIXYGNT-NFAWXSAZSA-N 0 3 258.340 3.223 20 30 CGEDHN CC[C@]1(C)CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000399281331 379936635 /nfs/dbraw/zinc/93/66/35/379936635.db2.gz ASLJQXCUXLAMCF-MRXNPFEDSA-N 0 3 258.365 3.189 20 30 CGEDHN N#CCCC1CCN(CCOc2ccccc2)CC1 ZINC000399407927 379939521 /nfs/dbraw/zinc/93/95/21/379939521.db2.gz QAMHROJGHYJNHL-UHFFFAOYSA-N 0 3 258.365 3.081 20 30 CGEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(F)c1)CC2 ZINC000404814866 379982391 /nfs/dbraw/zinc/98/23/91/379982391.db2.gz AUTOZBBOXOMRPR-SFHVURJKSA-N 0 3 296.345 3.483 20 30 CGEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000352848926 380002630 /nfs/dbraw/zinc/00/26/30/380002630.db2.gz MOEGUOZRUYMLNT-INIZCTEOSA-N 0 3 299.349 3.212 20 30 CGEDHN CCCN(CCN1CCCC1)Cc1ccc(C#N)cc1F ZINC000352871557 380014680 /nfs/dbraw/zinc/01/46/80/380014680.db2.gz BEYFUFNPRFSFKN-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN COC(=O)CCC[C@@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000352882280 380017786 /nfs/dbraw/zinc/01/77/86/380017786.db2.gz HCFZIKNJALRYFU-KBPBESRZSA-N 0 3 280.412 3.028 20 30 CGEDHN C[C@H](CC1CCCCC1)NCc1nc(C#N)cs1 ZINC000352891516 380021876 /nfs/dbraw/zinc/02/18/76/380021876.db2.gz JYPVRRMBTOPWJZ-LLVKDONJSA-N 0 3 263.410 3.463 20 30 CGEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccccc1-n1cccn1 ZINC000411465263 380146406 /nfs/dbraw/zinc/14/64/06/380146406.db2.gz WGQDCCWXVACOPQ-UONOGXRCSA-N 0 3 268.364 3.215 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2n[nH]cc2c1 ZINC000353095025 380112478 /nfs/dbraw/zinc/11/24/78/380112478.db2.gz WNRCFTODPYHUAO-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN CCOC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411150852 380132215 /nfs/dbraw/zinc/13/22/15/380132215.db2.gz XZTYXLRWRHYFTL-UHFFFAOYSA-N 0 3 292.423 3.126 20 30 CGEDHN COc1cc(CNCc2cc3ccccc3[nH]2)ccc1C#N ZINC000353225051 380175677 /nfs/dbraw/zinc/17/56/77/380175677.db2.gz LAQGSRAEQMGFMI-UHFFFAOYSA-N 0 3 291.354 3.338 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCCC(F)(F)F)CC2 ZINC000353243333 380185805 /nfs/dbraw/zinc/18/58/05/380185805.db2.gz QWXMVFSZZXLLAN-LBPRGKRZSA-N 0 3 254.255 3.088 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000414170640 380197324 /nfs/dbraw/zinc/19/73/24/380197324.db2.gz SXKUZOBDAVGVRW-HNNXBMFYSA-N 0 3 253.349 3.075 20 30 CGEDHN CC[C@H](NCC(C)(C)CC#N)c1ccc(C(=O)OC)cc1 ZINC000414173321 380198631 /nfs/dbraw/zinc/19/86/31/380198631.db2.gz WVOLNGJKPVQROM-HNNXBMFYSA-N 0 3 288.391 3.454 20 30 CGEDHN C=CCCCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416209424 380524745 /nfs/dbraw/zinc/52/47/45/380524745.db2.gz KNRIVYNCKOESMB-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)CC(C)C ZINC000417358409 380607728 /nfs/dbraw/zinc/60/77/28/380607728.db2.gz HUTIDUPBPPLKOL-NVXWUHKLSA-N 0 3 272.392 3.196 20 30 CGEDHN CCCn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418139151 380712125 /nfs/dbraw/zinc/71/21/25/380712125.db2.gz DORSQOVYHUHDAV-GOSISDBHSA-N 0 3 294.402 3.332 20 30 CGEDHN C=CCC[C@H](O)CNC1(c2ccccc2Cl)CC1 ZINC000645977214 380788871 /nfs/dbraw/zinc/78/88/71/380788871.db2.gz IEYWJGRWOBNXKK-LBPRGKRZSA-N 0 3 265.784 3.246 20 30 CGEDHN C=CCOCCN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419296324 380796354 /nfs/dbraw/zinc/79/63/54/380796354.db2.gz DSVDPGUFHOAGSU-HNNXBMFYSA-N 0 3 281.346 3.174 20 30 CGEDHN CCN(CCOc1ccccc1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000420970766 380865413 /nfs/dbraw/zinc/86/54/13/380865413.db2.gz GPBYIFGXTUQNPG-HZPDHXFCSA-N 0 3 272.392 3.388 20 30 CGEDHN Cc1cccc(C2(CNC(=O)C(C)C#N)CCCC2)c1 ZINC000357895206 381284898 /nfs/dbraw/zinc/28/48/98/381284898.db2.gz YYTZUXBURLHCRY-CQSZACIVSA-N 0 3 270.376 3.083 20 30 CGEDHN C=C(CC)CNc1ccccc1CN1CCC(CO)CC1 ZINC000358658264 381322676 /nfs/dbraw/zinc/32/26/76/381322676.db2.gz VMDPRIYRMLPHTL-UHFFFAOYSA-N 0 3 288.435 3.269 20 30 CGEDHN C=C[C@H](C)N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358745450 381326153 /nfs/dbraw/zinc/32/61/53/381326153.db2.gz DZUYNIIAEVQZHI-BBRMVZONSA-N 0 3 267.376 3.414 20 30 CGEDHN C=C(CC)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000358623861 381319581 /nfs/dbraw/zinc/31/95/81/381319581.db2.gz JDUBEVKXIWZCPE-HNNXBMFYSA-N 0 3 288.439 3.150 20 30 CGEDHN C=C(CNC(=O)[C@@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000360207372 381479981 /nfs/dbraw/zinc/47/99/81/381479981.db2.gz GTXSTWAOSWDTOI-SFHVURJKSA-N 0 3 298.430 3.223 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC2CC(N3CCCCC3)C2)c1 ZINC000360115991 381451829 /nfs/dbraw/zinc/45/18/29/381451829.db2.gz PKBULOROQHVPJU-UHFFFAOYSA-N 0 3 297.402 3.190 20 30 CGEDHN C[C@H](NCc1ccc(Cl)cc1C#N)[C@H]1CCCOC1 ZINC000360232448 381491253 /nfs/dbraw/zinc/49/12/53/381491253.db2.gz AKSFYDSMADMEMN-AAEUAGOBSA-N 0 3 278.783 3.116 20 30 CGEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(F)c1 ZINC000361440938 381747729 /nfs/dbraw/zinc/74/77/29/381747729.db2.gz RPKRFIBRIGMSOP-DGCLKSJQSA-N 0 3 262.328 3.006 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1F)[C@H]1CC[C@H](C)C1 ZINC000361634256 381846694 /nfs/dbraw/zinc/84/66/94/381846694.db2.gz AFESUAKEXFXPGD-BBRMVZONSA-N 0 3 290.382 3.334 20 30 CGEDHN C=CCC[C@@H](CC)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000369020611 382384825 /nfs/dbraw/zinc/38/48/25/382384825.db2.gz ZKHQOWKXKWWBRG-HUUCEWRRSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000369020611 382384830 /nfs/dbraw/zinc/38/48/30/382384830.db2.gz ZKHQOWKXKWWBRG-HUUCEWRRSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCC[C@@H](CC)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000369020611 382384838 /nfs/dbraw/zinc/38/48/38/382384838.db2.gz ZKHQOWKXKWWBRG-HUUCEWRRSA-N 0 3 270.380 3.229 20 30 CGEDHN CCN(C[C@H]1CCCO1)[C@H](C)c1cccc(C#N)c1 ZINC000275952614 285087970 /nfs/dbraw/zinc/08/79/70/285087970.db2.gz FPPNAASCXVEEAH-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCOCCN[C@H]1CCc2c1cccc2Br ZINC000301761347 542413658 /nfs/dbraw/zinc/41/36/58/542413658.db2.gz HZXMDMMOCFDTKP-AWEZNQCLSA-N 0 3 296.208 3.229 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CCS[C@@H]1C ZINC000385953701 542602796 /nfs/dbraw/zinc/60/27/96/542602796.db2.gz AGFFHOMUFMJDEG-OCCSQVGLSA-N 0 3 263.406 3.235 20 30 CGEDHN Cn1cc(CN2CCC[C@@H]2c2ccccc2)cc1C#N ZINC000191204091 130202006 /nfs/dbraw/zinc/20/20/06/130202006.db2.gz GYJMGRKXOCQAOJ-QGZVFWFLSA-N 0 3 265.360 3.234 20 30 CGEDHN CC[C@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1C ZINC000191292479 130217021 /nfs/dbraw/zinc/21/70/21/130217021.db2.gz IXFKFDVFIFJMIM-QGZVFWFLSA-N 0 3 297.402 3.152 20 30 CGEDHN CCCN(Cc1cccc(C#N)c1)C[C@H]1CCCCO1 ZINC000071963784 392194029 /nfs/dbraw/zinc/19/40/29/392194029.db2.gz IQLVCYDWPFPXGK-QGZVFWFLSA-N 0 3 272.392 3.339 20 30 CGEDHN N#Cc1ccc(CN(CCO)CC2CCCCC2)cc1F ZINC000361753568 392313905 /nfs/dbraw/zinc/31/39/05/392313905.db2.gz KULHRYOPBSQUHK-UHFFFAOYSA-N 0 3 290.382 3.072 20 30 CGEDHN C=CCc1cc(CN[C@@H]2CSC2(C)C)cc(OC)c1O ZINC000282904720 392297255 /nfs/dbraw/zinc/29/72/55/392297255.db2.gz UOCYNPHBYBDXLX-CQSZACIVSA-N 0 3 293.432 3.113 20 30 CGEDHN C=C(C)[C@@H](NCCc1ccnn1C)c1ccc(F)c(F)c1 ZINC000283056632 392298454 /nfs/dbraw/zinc/29/84/54/392298454.db2.gz JROMUEGPJVQTLU-MRXNPFEDSA-N 0 3 291.345 3.148 20 30 CGEDHN C=CCN1CCC(Nc2ccnc(C(F)(F)F)c2)CC1 ZINC000283779591 392307336 /nfs/dbraw/zinc/30/73/36/392307336.db2.gz QCGAXRANOLQNJC-UHFFFAOYSA-N 0 3 285.313 3.163 20 30 CGEDHN C=CCC[C@H](NC[C@H](O)[C@@H](C)CC)c1ccco1 ZINC000286013349 392363124 /nfs/dbraw/zinc/36/31/24/392363124.db2.gz JHGYMOYRQURCJU-IHRRRGAJSA-N 0 3 251.370 3.284 20 30 CGEDHN C=CCC[C@H](NC[C@@H](O)Cc1ccccc1)c1ccco1 ZINC000286165952 392377209 /nfs/dbraw/zinc/37/72/09/392377209.db2.gz QDNZVUIVICPNLV-IRXDYDNUSA-N 0 3 285.387 3.480 20 30 CGEDHN C=C(C)[C@@H](NC1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000286340275 392381398 /nfs/dbraw/zinc/38/13/98/392381398.db2.gz YUEFAOWEVSHDLT-SEEARECTSA-N 0 3 281.346 3.475 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](CC)c1ccc(Br)cc1 ZINC000289578440 392424202 /nfs/dbraw/zinc/42/42/02/392424202.db2.gz BHJHJJMJSXYZNB-STQMWFEESA-N 0 3 284.197 3.037 20 30 CGEDHN C=C[C@H](CO)N[C@@H](CC)c1ccc(OCC)c(OCC)c1 ZINC000289747189 392431799 /nfs/dbraw/zinc/43/17/99/392431799.db2.gz KWPJBIRMSWBRIQ-CABCVRRESA-N 0 3 293.407 3.072 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000289816607 392433568 /nfs/dbraw/zinc/43/35/68/392433568.db2.gz NWOOGOYWGFEZNV-LJQANCHMSA-N 0 3 292.382 3.431 20 30 CGEDHN C=CCCCCCCNCc1cnc([C@@H](C)O)s1 ZINC000289849292 392435013 /nfs/dbraw/zinc/43/50/13/392435013.db2.gz PWUUJYAHURMVQG-GFCCVEGCSA-N 0 3 268.426 3.423 20 30 CGEDHN C=C[C@@H](CO)N[C@H]1CCCc2c3ccccc3sc21 ZINC000289941004 392436827 /nfs/dbraw/zinc/43/68/27/392436827.db2.gz VXUQYLBHHSDZLU-FZMZJTMJSA-N 0 3 273.401 3.415 20 30 CGEDHN C=CCCOCCNCc1ccc(Br)s1 ZINC000120804637 392403064 /nfs/dbraw/zinc/40/30/64/392403064.db2.gz GBLKJUUOPWNEKP-UHFFFAOYSA-N 0 3 290.226 3.193 20 30 CGEDHN N#Cc1c(CN2C[C@@H]3CCC[C@H]3C2)cn2ccccc12 ZINC000153340681 392514496 /nfs/dbraw/zinc/51/44/96/392514496.db2.gz RBMBEMQGZJVYGS-KBPBESRZSA-N 0 3 265.360 3.043 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCCS2)c(F)c1 ZINC000158292672 392561867 /nfs/dbraw/zinc/56/18/67/392561867.db2.gz OAODLOJOWGBFFR-ZDUSSCGKSA-N 0 3 264.369 3.073 20 30 CGEDHN C=C(C)[C@@H](NC[C@@H](O)CCC)c1ccc(F)c(F)c1 ZINC000295631933 392550182 /nfs/dbraw/zinc/55/01/82/392550182.db2.gz BITLKYNDHOPBTM-SWLSCSKDSA-N 0 3 269.335 3.333 20 30 CGEDHN CC(C)CN(CC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000316641618 392669649 /nfs/dbraw/zinc/66/96/49/392669649.db2.gz CDGYDIDHYVVAKE-UHFFFAOYSA-N 0 3 299.418 3.397 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC)c(Br)c1 ZINC000181285394 392726172 /nfs/dbraw/zinc/72/61/72/392726172.db2.gz NPFLMWOCXVRBFT-UHFFFAOYSA-N 0 3 284.197 3.466 20 30 CGEDHN CC(=O)Nc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000181938762 392739028 /nfs/dbraw/zinc/73/90/28/392739028.db2.gz OKNRTEWCYJDSII-CYBMUJFWSA-N 0 3 293.370 3.367 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1cc2ccccc2o1 ZINC000182646172 392747890 /nfs/dbraw/zinc/74/78/90/392747890.db2.gz BPJNWRMZQWKVIE-OCCSQVGLSA-N 0 3 259.349 3.411 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)CCOc1ccccc1 ZINC000186164080 392778687 /nfs/dbraw/zinc/77/86/87/392778687.db2.gz OQZJWDUUOUPRSU-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN C=C(C)CCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337434611 392885248 /nfs/dbraw/zinc/88/52/48/392885248.db2.gz HCWBWPDXAIZSJH-HNNXBMFYSA-N 0 3 274.408 3.104 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cn1 ZINC000519806588 392895270 /nfs/dbraw/zinc/89/52/70/392895270.db2.gz UIELCVGXXVEPPD-CZUORRHYSA-N 0 3 295.361 3.470 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(OCc3ccccc3)CC2)C1 ZINC000338886867 392933720 /nfs/dbraw/zinc/93/37/20/392933720.db2.gz ONTIJEWWYSYEML-IAGOWNOFSA-N 0 3 284.403 3.360 20 30 CGEDHN C=CCOCCN1CCC(OC2CCCCC2)CC1 ZINC000338943061 392935407 /nfs/dbraw/zinc/93/54/07/392935407.db2.gz IETCSTLKAQHSJZ-UHFFFAOYSA-N 0 3 267.413 3.003 20 30 CGEDHN CCCCN(CCOCCC#N)Cc1ccccc1F ZINC000338939970 392935490 /nfs/dbraw/zinc/93/54/90/392935490.db2.gz INEMUHPYDXARRR-UHFFFAOYSA-N 0 3 278.371 3.358 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cnn(Cc2ccccc2)c1 ZINC000339085979 392947986 /nfs/dbraw/zinc/94/79/86/392947986.db2.gz SXXAADFRFMKQSM-YXJHDRRASA-N 0 3 294.402 3.274 20 30 CGEDHN CC(C)(C)CCN1CCN(c2ccccc2C#N)CC1 ZINC000525864762 392950119 /nfs/dbraw/zinc/95/01/19/392950119.db2.gz UGJZGKLRKFSAOR-UHFFFAOYSA-N 0 3 271.408 3.116 20 30 CGEDHN Fc1ccc(C#CCN2CCc3ccccc3CC2)cc1 ZINC000533472774 542748399 /nfs/dbraw/zinc/74/83/99/542748399.db2.gz BULGYHKMDWACPF-UHFFFAOYSA-N 0 3 279.358 3.278 20 30 CGEDHN CCCn1nccc1C1CCN([C@@H](C)CCC#N)CC1 ZINC000411696240 392983358 /nfs/dbraw/zinc/98/33/58/392983358.db2.gz QFEKQTQIJYRIBL-AWEZNQCLSA-N 0 3 274.412 3.165 20 30 CGEDHN C(#Cc1ccccc1)CN1CCSC2(CCC2)CC1 ZINC000411875317 392990979 /nfs/dbraw/zinc/99/09/79/392990979.db2.gz LSKDGCZLOKYKPD-UHFFFAOYSA-N 0 3 271.429 3.400 20 30 CGEDHN CC(C)CCN(CCC#N)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412166471 392996593 /nfs/dbraw/zinc/99/65/93/392996593.db2.gz FVCRBEMGNDCXAW-XHSDSOJGSA-N 0 3 293.455 3.036 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000342829062 393008203 /nfs/dbraw/zinc/00/82/03/393008203.db2.gz ZNLPKWUTVVEKNZ-MSOLQXFVSA-N 0 3 287.403 3.395 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000546125365 393033567 /nfs/dbraw/zinc/03/35/67/393033567.db2.gz HFHQSDXSWYXELZ-CYBMUJFWSA-N 0 3 272.392 3.435 20 30 CGEDHN COC(=O)c1cccc(CN[C@@H]2CCCC[C@H]2C)c1C#N ZINC000548114974 393176427 /nfs/dbraw/zinc/17/64/27/393176427.db2.gz SWFIXEBXSTWEPH-MLGOLLRUSA-N 0 3 286.375 3.013 20 30 CGEDHN CO[C@@]1(C)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000279299476 393332904 /nfs/dbraw/zinc/33/29/04/393332904.db2.gz LZRQSYWGZSNHMX-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278863109 393327274 /nfs/dbraw/zinc/32/72/74/393327274.db2.gz WLMWPHJFNWTEIE-BLLLJJGKSA-N 0 3 268.364 3.094 20 30 CGEDHN C[C@H]1[C@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000470953809 393269633 /nfs/dbraw/zinc/26/96/33/393269633.db2.gz SNUNMYVMMRSEQU-SMDDNHRTSA-N 0 3 298.308 3.210 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC000487232465 393449577 /nfs/dbraw/zinc/44/95/77/393449577.db2.gz NSEVZXABLCHVNT-CQSZACIVSA-N 0 3 274.408 3.223 20 30 CGEDHN C=CCCCN(C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000427001396 393452632 /nfs/dbraw/zinc/45/26/32/393452632.db2.gz SJKZDCDXMJYMJK-HNNXBMFYSA-N 0 3 292.810 3.343 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(-n2cccn2)cc1 ZINC000430723389 393590279 /nfs/dbraw/zinc/59/02/79/393590279.db2.gz JLSJPEMPUPIZQT-CQSZACIVSA-N 0 3 280.375 3.217 20 30 CGEDHN C#C[C@H](CC)NCc1c(C)nc2scc(C3CC3)n12 ZINC000491661907 393697778 /nfs/dbraw/zinc/69/77/78/393697778.db2.gz LBFZMQXKWIDENS-GFCCVEGCSA-N 0 3 273.405 3.083 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000443958826 393778330 /nfs/dbraw/zinc/77/83/30/393778330.db2.gz AFIFJENJIMKNRZ-SFHVURJKSA-N 0 3 280.371 3.344 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667472806 542873160 /nfs/dbraw/zinc/87/31/60/542873160.db2.gz QHCGVAZHLHIITR-KRWDZBQOSA-N 0 3 273.376 3.028 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000668493570 543019974 /nfs/dbraw/zinc/01/99/74/543019974.db2.gz PCBCZEMNCXQOSS-AWEZNQCLSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000669727323 543122582 /nfs/dbraw/zinc/12/25/82/543122582.db2.gz AGQFMOZCQFSTTR-OAHLLOKOSA-N 0 3 287.407 3.021 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cs1 ZINC000671745406 543185278 /nfs/dbraw/zinc/18/52/78/543185278.db2.gz VBVRWCMXLWSXGE-LBPRGKRZSA-N 0 3 295.367 3.433 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]1C ZINC000488303449 397707266 /nfs/dbraw/zinc/70/72/66/397707266.db2.gz UUXDQXATBMWOPR-JSGCOSHPSA-N 0 3 260.337 3.239 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1ccccc1C(F)(F)F ZINC000677046787 543427572 /nfs/dbraw/zinc/42/75/72/543427572.db2.gz JJPYVOPXJKFXMM-CYBMUJFWSA-N 0 3 273.298 3.074 20 30 CGEDHN C=CCOc1ccc(CN(C)CC2=CCCOC2)cc1 ZINC000678123176 543485705 /nfs/dbraw/zinc/48/57/05/543485705.db2.gz LJMJJELFKYXQKF-UHFFFAOYSA-N 0 3 273.376 3.030 20 30 CGEDHN C=CCOc1ccc(CN2CCCOC(C)(C)C2)cc1 ZINC000678271831 543507692 /nfs/dbraw/zinc/50/76/92/543507692.db2.gz KBZCISVKYVWSHV-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](CC)c1ccccc1OCC ZINC000678745138 543552262 /nfs/dbraw/zinc/55/22/62/543552262.db2.gz OFMMXZRBKQEEQL-CABCVRRESA-N 0 3 263.381 3.063 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1ccccc1OCC ZINC000678745139 543552479 /nfs/dbraw/zinc/55/24/79/543552479.db2.gz OFMMXZRBKQEEQL-GJZGRUSLSA-N 0 3 263.381 3.063 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000678745438 543553065 /nfs/dbraw/zinc/55/30/65/543553065.db2.gz QVSYZWRFVHPUJT-KBPBESRZSA-N 0 3 284.403 3.488 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000678756376 543553302 /nfs/dbraw/zinc/55/33/02/543553302.db2.gz DUKMTKUEMACGKF-ZFWWWQNUSA-N 0 3 273.376 3.300 20 30 CGEDHN COCC1(C)CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000358747396 292227684 /nfs/dbraw/zinc/22/76/84/292227684.db2.gz SESPKCJKCNNJIZ-CQSZACIVSA-N 0 3 272.392 3.368 20 30 CGEDHN CN(CCOc1ccc(C#N)cc1)CCc1cccs1 ZINC000075965804 287030417 /nfs/dbraw/zinc/03/04/17/287030417.db2.gz WBRRGUVICSDGIG-UHFFFAOYSA-N 0 3 286.400 3.173 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000081197340 287071316 /nfs/dbraw/zinc/07/13/16/287071316.db2.gz UARKYZBHYLDMFR-IAGOWNOFSA-N 0 3 280.375 3.028 20 30 CGEDHN N#Cc1csc(CN2CCC[C@@H]2CN2CCCCC2)c1 ZINC000092219157 165287299 /nfs/dbraw/zinc/28/72/99/165287299.db2.gz JGJQQSMYVGXFFL-OAHLLOKOSA-N 0 3 289.448 3.070 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000266763964 287130872 /nfs/dbraw/zinc/13/08/72/287130872.db2.gz QQTOBVDFILUWPT-ZDUSSCGKSA-N 0 3 280.375 3.222 20 30 CGEDHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000007379213 170281278 /nfs/dbraw/zinc/28/12/78/170281278.db2.gz PYDSDVHOQWSJET-ZIAGYGMSSA-N 0 3 293.370 3.236 20 30 CGEDHN CN(CC[C@@H](O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000285335016 196253788 /nfs/dbraw/zinc/25/37/88/196253788.db2.gz XXWGBXQTPINMEP-GOSISDBHSA-N 0 3 280.371 3.114 20 30 CGEDHN N#Cc1ccc(OC2CCN(CCCCF)CC2)c(F)c1 ZINC000285346969 196256090 /nfs/dbraw/zinc/25/60/90/196256090.db2.gz AIARKTGDDBTMSN-UHFFFAOYSA-N 0 3 294.345 3.290 20 30 CGEDHN Cc1ccc(F)cc1CNCc1cccc(C#N)c1 ZINC000129025023 287322677 /nfs/dbraw/zinc/32/26/77/287322677.db2.gz UOFHHEFAGZLZCR-UHFFFAOYSA-N 0 3 254.308 3.296 20 30 CGEDHN C=CCOCCNCc1cc(C)c(C)cc1OC(F)F ZINC000679486694 543640398 /nfs/dbraw/zinc/64/03/98/543640398.db2.gz RZXQSDOJCMVIDH-UHFFFAOYSA-N 0 3 285.334 3.197 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@H](COc2ccccc2)C1 ZINC000679540443 543643962 /nfs/dbraw/zinc/64/39/62/543643962.db2.gz MCVMYAXMGDZDGW-JKSUJKDBSA-N 0 3 257.377 3.189 20 30 CGEDHN C=CCOCCN[C@@H](CCC)c1ccc(OC)cc1 ZINC000679576085 543648212 /nfs/dbraw/zinc/64/82/12/543648212.db2.gz HLRKLXPJOPGIAA-INIZCTEOSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCOCCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000679576170 543648302 /nfs/dbraw/zinc/64/83/02/543648302.db2.gz JSDWOOONPQQHRO-CQSZACIVSA-N 0 3 281.783 3.346 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1oc2ccccc2c1C ZINC000680412651 543709053 /nfs/dbraw/zinc/70/90/53/543709053.db2.gz YGLKNWHOVXFFEW-GXTWGEPZSA-N 0 3 259.349 3.329 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@@H](C)C(C)(C)C ZINC000130443948 287355576 /nfs/dbraw/zinc/35/55/76/287355576.db2.gz NOYUBQLKTQZDKI-LBPRGKRZSA-N 0 3 260.381 3.433 20 30 CGEDHN CC(C#N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000334748165 225271855 /nfs/dbraw/zinc/27/18/55/225271855.db2.gz WPUIUIGIDBOKOH-HIFRSBDPSA-N 0 3 268.360 3.290 20 30 CGEDHN C=C(C)CCN(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000681398604 543786712 /nfs/dbraw/zinc/78/67/12/543786712.db2.gz LJNNDZZGXPYTEA-HNNXBMFYSA-N 0 3 274.408 3.172 20 30 CGEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2c[nH]nc21 ZINC000130759966 287362392 /nfs/dbraw/zinc/36/23/92/287362392.db2.gz QJVJDQXIRKQJJD-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)[nH]1 ZINC000682995611 543885296 /nfs/dbraw/zinc/88/52/96/543885296.db2.gz ZBMHUKMQPJGGFV-ZDUSSCGKSA-N 0 3 290.326 3.065 20 30 CGEDHN Cc1nc(-c2ccc([C@H](C)NC(=O)C(C)C#N)cc2)cs1 ZINC000347082921 226043188 /nfs/dbraw/zinc/04/31/88/226043188.db2.gz YOOSPWWJEPJMME-QWRGUYRKSA-N 0 3 299.399 3.455 20 30 CGEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(C)C#N ZINC000347029265 226019362 /nfs/dbraw/zinc/01/93/62/226019362.db2.gz ALVTWLXYAKEGFM-GHMZBOCLSA-N 0 3 299.399 3.455 20 30 CGEDHN C=CCOCCN[C@H](c1cc(F)ccc1F)C(C)C ZINC000684557623 544013128 /nfs/dbraw/zinc/01/31/28/544013128.db2.gz YKEPFBANEHAZNV-HNNXBMFYSA-N 0 3 269.335 3.454 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCCCC#N ZINC000347586651 226208566 /nfs/dbraw/zinc/20/85/66/226208566.db2.gz VENGWJAHISCBTM-IAGOWNOFSA-N 0 3 285.435 3.275 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC000347829571 226381908 /nfs/dbraw/zinc/38/19/08/226381908.db2.gz QHLVMNBTBAORHL-SECBINFHSA-N 0 3 282.746 3.033 20 30 CGEDHN C=CCOCCNC/C(C)=C/c1ccccc1OC(F)F ZINC000685620097 544090116 /nfs/dbraw/zinc/09/01/16/544090116.db2.gz FZSUITGUHIADGL-ACCUITESSA-N 0 3 297.345 3.484 20 30 CGEDHN C=C1CCN(CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659910993 419031044 /nfs/dbraw/zinc/03/10/44/419031044.db2.gz YMPCXIAHJAZYSU-HNNXBMFYSA-N 0 3 288.416 3.142 20 30 CGEDHN C=CCN(CCCC(=O)NCC(C)C)Cc1ccccc1 ZINC000659823652 419001818 /nfs/dbraw/zinc/00/18/18/419001818.db2.gz SYZOJDPGTRMBBY-UHFFFAOYSA-N 0 3 288.435 3.227 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@H]1COC(C)(C)C1 ZINC000659849467 419011477 /nfs/dbraw/zinc/01/14/77/419011477.db2.gz PBUXXOFGSODJEB-OAHLLOKOSA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCCn1cc(CN(C(C)C)C2CCCC2)nn1 ZINC000653578062 419053719 /nfs/dbraw/zinc/05/37/19/419053719.db2.gz SCWBCPPNHOWDJH-UHFFFAOYSA-N 0 3 262.401 3.007 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)nn1 ZINC000653754960 419080659 /nfs/dbraw/zinc/08/06/59/419080659.db2.gz ASUDXCJUKJNWOF-SOUVJXGZSA-N 0 3 276.428 3.159 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000656224816 419154473 /nfs/dbraw/zinc/15/44/73/419154473.db2.gz AAZPTFLNKJGCNK-AEFFLSMTSA-N 0 3 297.402 3.190 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(Cl)c1)[C@H](C)COC ZINC000661239512 419243584 /nfs/dbraw/zinc/24/35/84/419243584.db2.gz HNDCXCANTAKOEE-GFCCVEGCSA-N 0 3 283.799 3.372 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)Cc2ccc(C)cc2C)nn1 ZINC000657358201 419259075 /nfs/dbraw/zinc/25/90/75/419259075.db2.gz IAFRPGUWIAYMCQ-MRXNPFEDSA-N 0 3 298.434 3.192 20 30 CGEDHN C[C@H]1CCCN(CC#Cc2cccc(Cl)c2)[C@H]1CCO ZINC000661502023 419267182 /nfs/dbraw/zinc/26/71/82/419267182.db2.gz YXTYEELBUPQNEO-YOEHRIQHSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661657620 419283531 /nfs/dbraw/zinc/28/35/31/419283531.db2.gz BZTLTDKQGKUZEE-ZBFHGGJFSA-N 0 3 293.382 3.298 20 30 CGEDHN C=CCC1(NCc2cn(C3CCC3)nn2)CCCCC1 ZINC000657484174 419289972 /nfs/dbraw/zinc/28/99/72/419289972.db2.gz QYRWKPNXSPXRBB-UHFFFAOYSA-N 0 3 274.412 3.372 20 30 CGEDHN C=CCC1(CNCc2cc3n(n2)CCC3)CCCC1 ZINC000657485952 419290921 /nfs/dbraw/zinc/29/09/21/419290921.db2.gz OZZADEOAMHLHHU-UHFFFAOYSA-N 0 3 259.397 3.055 20 30 CGEDHN C=CCCn1cc(CN[C@@H](CC=C)Cc2ccccc2)nn1 ZINC000657494331 419293381 /nfs/dbraw/zinc/29/33/81/419293381.db2.gz FRJQGOBZMPDHEK-KRWDZBQOSA-N 0 3 296.418 3.131 20 30 CGEDHN C=CCCCCCNCc1cc(C(F)(F)F)nn1C ZINC000657504477 419296161 /nfs/dbraw/zinc/29/61/61/419296161.db2.gz JOQGGMLNKZAXGS-UHFFFAOYSA-N 0 3 275.318 3.275 20 30 CGEDHN C=CCC1([NH2+]Cc2nnc(C(C)(C)C)[n-]2)CCCC1 ZINC000661851104 419304284 /nfs/dbraw/zinc/30/42/84/419304284.db2.gz PCVQETRIYIAVLO-UHFFFAOYSA-N 0 3 262.401 3.081 20 30 CGEDHN C=CCC1(NCc2nnc(C(C)(C)C)[nH]2)CCCC1 ZINC000661851104 419304286 /nfs/dbraw/zinc/30/42/86/419304286.db2.gz PCVQETRIYIAVLO-UHFFFAOYSA-N 0 3 262.401 3.081 20 30 CGEDHN C=CCC1(NCc2ccc(F)cc2F)CCOCC1 ZINC000657633483 419317562 /nfs/dbraw/zinc/31/75/62/419317562.db2.gz VIUCAFMTWSZDMZ-UHFFFAOYSA-N 0 3 267.319 3.180 20 30 CGEDHN C=CCC1(NCc2cn(-c3ccccc3)nn2)CCCC1 ZINC000657702055 419329905 /nfs/dbraw/zinc/32/99/05/419329905.db2.gz FWZWPNUOKFNQJO-UHFFFAOYSA-N 0 3 282.391 3.246 20 30 CGEDHN C=CCC1(NCc2cn3ccccc3n2)CCCC1 ZINC000657702056 419329920 /nfs/dbraw/zinc/32/99/20/419329920.db2.gz FZHRZRYTNAGNIP-UHFFFAOYSA-N 0 3 255.365 3.313 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662343380 419397070 /nfs/dbraw/zinc/39/70/70/419397070.db2.gz KVOVUQFCYBZISG-NVXWUHKLSA-N 0 3 259.393 3.229 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000658032801 419510222 /nfs/dbraw/zinc/51/02/22/419510222.db2.gz WXMRAXKTQYTHHX-UONOGXRCSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CCOCCCN[C@H](C)c1ccc2ccccc2n1 ZINC000658210110 419660698 /nfs/dbraw/zinc/66/06/98/419660698.db2.gz OFHXEOSKQRBUIN-CQSZACIVSA-N 0 3 270.376 3.478 20 30 CGEDHN N#CCC1(CNCc2ccc(Br)s2)CC1 ZINC000083853861 260190437 /nfs/dbraw/zinc/19/04/37/260190437.db2.gz OMEHPZPPTJKTBQ-UHFFFAOYSA-N 0 3 285.210 3.294 20 30 CGEDHN C=CCCOCCN[C@H](c1ccc(F)cc1)C1CC1 ZINC000223198951 260281636 /nfs/dbraw/zinc/28/16/36/260281636.db2.gz FYHRFHQTTPXLPB-INIZCTEOSA-N 0 3 263.356 3.459 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000133200567 260901753 /nfs/dbraw/zinc/90/17/53/260901753.db2.gz YJRLSVLONUGXTL-QWHCGFSZSA-N 0 3 297.402 3.316 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000185797931 262071721 /nfs/dbraw/zinc/07/17/21/262071721.db2.gz GFHQTAHPFNLXGO-HIFRSBDPSA-N 0 3 298.365 3.183 20 30 CGEDHN CO[C@@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185793676 262071823 /nfs/dbraw/zinc/07/18/23/262071823.db2.gz QWGFTDMTLZTUTR-BPUTZDHNSA-N 0 3 258.365 3.046 20 30 CGEDHN CCCCCCCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000364137792 262153873 /nfs/dbraw/zinc/15/38/73/262153873.db2.gz JDVYHPAQHMOGGY-UHFFFAOYSA-N 0 3 275.396 3.026 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2OC(F)F)C1 ZINC000192627237 262206623 /nfs/dbraw/zinc/20/66/23/262206623.db2.gz DEXRMVOUZHEDAM-YPMHNXCESA-N 0 3 280.318 3.460 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2OC(F)F)C1 ZINC000192627223 262206847 /nfs/dbraw/zinc/20/68/47/262206847.db2.gz DEXRMVOUZHEDAM-DGCLKSJQSA-N 0 3 280.318 3.460 20 30 CGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(C#N)cc1 ZINC000338344143 269879647 /nfs/dbraw/zinc/87/96/47/269879647.db2.gz FVVKJDQKVTWTBX-AWEZNQCLSA-N 0 3 275.355 3.475 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000497933860 262235662 /nfs/dbraw/zinc/23/56/62/262235662.db2.gz MVMFEXLLNPNGSE-HNNXBMFYSA-N 0 3 288.435 3.225 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000188379639 262293024 /nfs/dbraw/zinc/29/30/24/262293024.db2.gz SLEUQGDJUIVGTA-MAUKXSAKSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1coc(C)c1)C(C)C ZINC000186913146 262328620 /nfs/dbraw/zinc/32/86/20/262328620.db2.gz QVFBUNGORBQNEY-INIZCTEOSA-N 0 3 290.407 3.016 20 30 CGEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccn1 ZINC000391148588 262383775 /nfs/dbraw/zinc/38/37/75/262383775.db2.gz VQPHKZWHIFLPGN-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN CCCn1nccc1C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339157819 262605082 /nfs/dbraw/zinc/60/50/82/262605082.db2.gz VXLSTRMUSAESJR-GDBMZVCRSA-N 0 3 286.423 3.165 20 30 CGEDHN C=CCN(CCc1ccccc1)CCC1(O)CCC1 ZINC000411190593 262682752 /nfs/dbraw/zinc/68/27/52/262682752.db2.gz HXOLBEBWRVXAON-UHFFFAOYSA-N 0 3 259.393 3.022 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(Cl)c1F ZINC000451607645 262811920 /nfs/dbraw/zinc/81/19/20/262811920.db2.gz LCKXNZZABCMSKB-WQAKAFBOSA-N 0 3 269.747 3.473 20 30 CGEDHN CC(C)(C#N)CCNC1(c2cccc(C#N)c2)CC1 ZINC000271990545 263000917 /nfs/dbraw/zinc/00/09/17/263000917.db2.gz DUXIVIBZDCEYOT-UHFFFAOYSA-N 0 3 253.349 3.077 20 30 CGEDHN CC(C)(C#N)CCN(CCCO)Cc1cccc(Cl)c1 ZINC000272034187 263001368 /nfs/dbraw/zinc/00/13/68/263001368.db2.gz PSYBZQYTKOBFRW-UHFFFAOYSA-N 0 3 294.826 3.464 20 30 CGEDHN Cc1ccnc(OC2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000273045315 263011437 /nfs/dbraw/zinc/01/14/37/263011437.db2.gz XMABVOKWWSTYOL-UHFFFAOYSA-N 0 3 287.407 3.173 20 30 CGEDHN C=CCN(Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000273364789 263015924 /nfs/dbraw/zinc/01/59/24/263015924.db2.gz DBTYYUFCEVMRPI-UHFFFAOYSA-N 0 3 269.392 3.187 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451982742 263019068 /nfs/dbraw/zinc/01/90/68/263019068.db2.gz UBZVHKQWPQRJIA-QGZVFWFLSA-N 0 3 289.419 3.396 20 30 CGEDHN COc1cc(C)c(CN(C)[C@@H](C)CCC#N)cc1OC ZINC000276300639 263035543 /nfs/dbraw/zinc/03/55/43/263035543.db2.gz JVRPTVXWNQWGHD-ZDUSSCGKSA-N 0 3 276.380 3.136 20 30 CGEDHN C[C@@H](CCC#N)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000276310790 263036055 /nfs/dbraw/zinc/03/60/55/263036055.db2.gz MEHRDCHBDZZTIU-HNNXBMFYSA-N 0 3 289.398 3.026 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccc(OC)c(O)c1 ZINC000277108625 263039677 /nfs/dbraw/zinc/03/96/77/263039677.db2.gz WEBKVAHPZZVDTK-OCCSQVGLSA-N 0 3 276.380 3.004 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2Cn2ccnc2)C1 ZINC000278159356 263045505 /nfs/dbraw/zinc/04/55/05/263045505.db2.gz BGOFIAJVJSBANY-MAUKXSAKSA-N 0 3 294.402 3.103 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1coc(-c2ccccc2)n1 ZINC000340208073 263094166 /nfs/dbraw/zinc/09/41/66/263094166.db2.gz BGWJNFJWZQQIEU-UHFFFAOYSA-N 0 3 299.418 3.281 20 30 CGEDHN COc1ccc(CNCCCCC#N)c(Br)c1 ZINC000286639658 263099215 /nfs/dbraw/zinc/09/92/15/263099215.db2.gz SZRIRGLYBAJWOB-UHFFFAOYSA-N 0 3 297.196 3.241 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000289493291 263110679 /nfs/dbraw/zinc/11/06/79/263110679.db2.gz BRBPUKJZJWWAPX-WFASDCNBSA-N 0 3 290.407 3.225 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H]1OCCc2sccc21 ZINC000291998417 263127223 /nfs/dbraw/zinc/12/72/23/263127223.db2.gz XKXZRSMNLHXSBH-OHTBPHCPSA-N 0 3 276.405 3.032 20 30 CGEDHN Cc1ccc([C@H]2C[C@H](C)CCN2CCOCCC#N)o1 ZINC000292925899 263136512 /nfs/dbraw/zinc/13/65/12/263136512.db2.gz YNLUZVGMEIXUKL-UKRRQHHQSA-N 0 3 276.380 3.291 20 30 CGEDHN COc1ccccc1[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000293009310 263136974 /nfs/dbraw/zinc/13/69/74/263136974.db2.gz HHDJRBYEUBNGNH-KFWWJZLASA-N 0 3 270.376 3.177 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000340442393 263151809 /nfs/dbraw/zinc/15/18/09/263151809.db2.gz ZRWOPQWVTPVQMX-IUCAKERBSA-N 0 3 285.174 3.200 20 30 CGEDHN Cc1cc(CN2CCC(C)(C#N)CC2)ccc1N(C)C ZINC000294400386 263160983 /nfs/dbraw/zinc/16/09/83/263160983.db2.gz CLGOZFKJMQFCGH-UHFFFAOYSA-N 0 3 271.408 3.187 20 30 CGEDHN CCC[C@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000294697638 263166328 /nfs/dbraw/zinc/16/63/28/263166328.db2.gz UGTUHQXZJWGQAG-HNNXBMFYSA-N 0 3 282.334 3.326 20 30 CGEDHN N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296300327 263189493 /nfs/dbraw/zinc/18/94/93/263189493.db2.gz FXEHXJWHEBMGLQ-UBHSHLNASA-N 0 3 256.349 3.051 20 30 CGEDHN C[C@@H](CCC#N)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000297919814 263212108 /nfs/dbraw/zinc/21/21/08/263212108.db2.gz QIJPJMQNPQEKRG-YOEHRIQHSA-N 0 3 272.392 3.124 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000341101222 263322245 /nfs/dbraw/zinc/32/22/45/263322245.db2.gz JDAQLHZUTWUPFJ-ZBFHGGJFSA-N 0 3 270.376 3.160 20 30 CGEDHN C=CC1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000416155970 263679756 /nfs/dbraw/zinc/67/97/56/263679756.db2.gz FTYQIQQVLWFTOA-KRWDZBQOSA-N 0 3 286.419 3.104 20 30 CGEDHN C=C[C@@H](C)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000123205654 263811644 /nfs/dbraw/zinc/81/16/44/263811644.db2.gz FQUWRJDKWQGVQG-SECBINFHSA-N 0 3 255.745 3.021 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000293732263 264974434 /nfs/dbraw/zinc/97/44/34/264974434.db2.gz GSMHJJMXBRGUTR-MRXNPFEDSA-N 0 3 291.366 3.066 20 30 CGEDHN COc1ccc([C@H](C)NCCC(C)(C)C#N)cc1F ZINC000345930062 265102059 /nfs/dbraw/zinc/10/20/59/265102059.db2.gz BNELEXPFSINZPR-NSHDSACASA-N 0 3 264.344 3.425 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000356893584 266206464 /nfs/dbraw/zinc/20/64/64/266206464.db2.gz JZDFJEIMWZFLFU-RKDXNWHRSA-N 0 3 270.254 3.042 20 30 CGEDHN CCc1ccc(CNCCOc2ccc(C#N)cc2)s1 ZINC000525708314 270120227 /nfs/dbraw/zinc/12/02/27/270120227.db2.gz GIDOXFCAKDFKFR-UHFFFAOYSA-N 0 3 286.400 3.351 20 30 CGEDHN C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(C#N)cc1F ZINC000528004574 270150477 /nfs/dbraw/zinc/15/04/77/270150477.db2.gz QWMWYYVMBSKTPS-VZTWBHMWSA-N 0 3 276.355 3.160 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000362690231 267036103 /nfs/dbraw/zinc/03/61/03/267036103.db2.gz PJZQBUFYSTUVSL-IAQYHMDHSA-N 0 3 274.339 3.333 20 30 CGEDHN C#CCCN1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000371187172 267362025 /nfs/dbraw/zinc/36/20/25/267362025.db2.gz AQGYPZJIGCHYFQ-UHFFFAOYSA-N 0 3 280.371 3.289 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](NCC2(C#N)CCC2)C1 ZINC000418136587 267368810 /nfs/dbraw/zinc/36/88/10/267368810.db2.gz CONZLHHCTNZWCG-WBVHZDCISA-N 0 3 283.419 3.105 20 30 CGEDHN C[C@@H]1CC(F)(F)CCN1CCCOc1cccc(C#N)c1 ZINC000528763735 270171551 /nfs/dbraw/zinc/17/15/51/270171551.db2.gz BMZGZILQCHOUES-CYBMUJFWSA-N 0 3 294.345 3.447 20 30 CGEDHN N#Cc1ccc(C2(NCc3ccsc3)CCOCC2)cc1 ZINC000527812776 268211999 /nfs/dbraw/zinc/21/19/99/268211999.db2.gz UJRVXZYXRZTSTF-UHFFFAOYSA-N 0 3 298.411 3.415 20 30 CGEDHN C#CCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000271004129 275379411 /nfs/dbraw/zinc/37/94/11/275379411.db2.gz GSNCTIWWWRAERG-SFHVURJKSA-N 0 3 264.372 3.307 20 30 CGEDHN CCN1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000352669213 276196972 /nfs/dbraw/zinc/19/69/72/276196972.db2.gz YBBMBAHJRDKGPP-HNNXBMFYSA-N 0 3 285.435 3.014 20 30 CGEDHN CN(C)[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccco1 ZINC000353391361 276827521 /nfs/dbraw/zinc/82/75/21/276827521.db2.gz WXZOFLPPIWCKIU-IRXDYDNUSA-N 0 3 295.386 3.031 20 30 CGEDHN C=CCCC1(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000355790353 277827333 /nfs/dbraw/zinc/82/73/33/277827333.db2.gz HOAOSTLJMZEAOA-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2c1cnn2C)c1cccc(C#N)c1 ZINC000037304889 278272473 /nfs/dbraw/zinc/27/24/73/278272473.db2.gz CWLQLGBRZXGXGS-BLLLJJGKSA-N 0 3 280.375 3.020 20 30 CGEDHN C[C@H](NCCOc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537400019 288528105 /nfs/dbraw/zinc/52/81/05/288528105.db2.gz HPCPWBIOJRYYNA-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN COC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000540975906 288680533 /nfs/dbraw/zinc/68/05/33/288680533.db2.gz MZZDQAZMUULEDZ-NHYWBVRUSA-N 0 3 264.344 3.019 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292141318 290219784 /nfs/dbraw/zinc/21/97/84/290219784.db2.gz MLKDVRFEAUZISU-KDOFPFPSSA-N 0 3 284.403 3.368 20 30 CGEDHN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(C)C#N ZINC000345645865 302115084 /nfs/dbraw/zinc/11/50/84/302115084.db2.gz RJAZYKRZORQTOJ-UKRRQHHQSA-N 0 3 258.365 3.310 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC000333297992 303167129 /nfs/dbraw/zinc/16/71/29/303167129.db2.gz LLQYBMFGMASIPD-JSGCOSHPSA-N 0 3 284.359 3.076 20 30 CGEDHN N#CCCCN[C@H]1CCc2ccc(Br)cc21 ZINC000282335929 327630062 /nfs/dbraw/zinc/63/00/62/327630062.db2.gz GDKKIEKVGHIVLS-ZDUSSCGKSA-N 0 3 279.181 3.330 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc(C)nc2)cc1 ZINC000057591194 327930454 /nfs/dbraw/zinc/93/04/54/327930454.db2.gz WXDMYROUVWJCIK-UHFFFAOYSA-N 0 3 268.360 3.245 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](CC(C)(C)C)C1(C)C ZINC000412825385 328126939 /nfs/dbraw/zinc/12/69/39/328126939.db2.gz PHLRGABVBIGKIA-NWDGAFQWSA-N 0 3 250.386 3.209 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 ZINC000274640223 328212498 /nfs/dbraw/zinc/21/24/98/328212498.db2.gz QYRYUYMLDBSAJO-DZKIICNBSA-N 0 3 280.375 3.215 20 30 CGEDHN C=C[C@H](CO)N[C@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000353579364 328289890 /nfs/dbraw/zinc/28/98/90/328289890.db2.gz UYOHDLYUTJBULT-DGCLKSJQSA-N 0 3 289.297 3.173 20 30 CGEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)cn1 ZINC000565156552 322063083 /nfs/dbraw/zinc/06/30/83/322063083.db2.gz IXIGRKWNNMULTP-LBPRGKRZSA-N 0 3 271.286 3.020 20 30 CGEDHN CCC[C@@H](C)[C@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000566414118 322121024 /nfs/dbraw/zinc/12/10/24/322121024.db2.gz MGOYRYCKKOMFOH-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CCC[C@H](NC[C@@H](CC)CCO)c1ccco1 ZINC000286334298 328521921 /nfs/dbraw/zinc/52/19/21/328521921.db2.gz YAKZCSCSUQHVBF-KBPBESRZSA-N 0 3 251.370 3.285 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000289978204 328527828 /nfs/dbraw/zinc/52/78/28/328527828.db2.gz XTJQYPULFUYGPD-GXTWGEPZSA-N 0 3 265.422 3.385 20 30 CGEDHN C=CC[C@H](C)N[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180904107 329223904 /nfs/dbraw/zinc/22/39/04/329223904.db2.gz IHYVUDWEJBZDPS-BLLLJJGKSA-N 0 3 273.355 3.203 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000184095375 329256264 /nfs/dbraw/zinc/25/62/64/329256264.db2.gz SUGIAEJHDQAHEY-XIRDDKMYSA-N 0 3 271.408 3.104 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccc(F)c(F)c2)C1 ZINC000185819146 329329866 /nfs/dbraw/zinc/32/98/66/329329866.db2.gz UINVGMJTLBGVHQ-NWDGAFQWSA-N 0 3 280.318 3.016 20 30 CGEDHN CCCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185783096 329331841 /nfs/dbraw/zinc/33/18/41/329331841.db2.gz UUGPIPGAOQOPOT-UKRRQHHQSA-N 0 3 273.380 3.042 20 30 CGEDHN C[C@H](NC[C@@H](C#N)CCC#N)[C@@H](C)c1ccccc1 ZINC000245472638 329699794 /nfs/dbraw/zinc/69/97/94/329699794.db2.gz PFJBVDZOJGCAPI-QLFBSQMISA-N 0 3 255.365 3.212 20 30 CGEDHN C=CCOc1ccccc1CNCCCSC ZINC000069433941 329854143 /nfs/dbraw/zinc/85/41/43/329854143.db2.gz LDQHPEWXWSZERD-UHFFFAOYSA-N 0 3 251.395 3.094 20 30 CGEDHN CC1(C#N)CCN(CCCCC2CCOCC2)CC1 ZINC000336807106 329979090 /nfs/dbraw/zinc/97/90/90/329979090.db2.gz FZYPPLIRIGEFOV-UHFFFAOYSA-N 0 3 264.413 3.209 20 30 CGEDHN C[C@@H](NCC(C)(C)CCC#N)c1cn2ccccc2n1 ZINC000572378106 330019457 /nfs/dbraw/zinc/01/94/57/330019457.db2.gz XOMCPKDFEXQULP-CYBMUJFWSA-N 0 3 270.380 3.315 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000336809336 330068122 /nfs/dbraw/zinc/06/81/22/330068122.db2.gz UZFHBZFWRIOVRB-LLVKDONJSA-N 0 3 271.307 3.141 20 30 CGEDHN C#CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000270244619 330073989 /nfs/dbraw/zinc/07/39/89/330073989.db2.gz SRJCLYXGWCDMTE-GOSISDBHSA-N 0 3 277.367 3.476 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccncc1Cl ZINC000421831335 330086225 /nfs/dbraw/zinc/08/62/25/330086225.db2.gz DCIKWSCJGFXNGI-SNVBAGLBSA-N 0 3 256.802 3.305 20 30 CGEDHN N#CCCC[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000424088620 330224419 /nfs/dbraw/zinc/22/44/19/330224419.db2.gz HFOPNNLUGMUCFR-DLBZAZTESA-N 0 3 299.418 3.151 20 30 CGEDHN C=CCn1cc(CNC[C@@H](CCC)c2ccccc2)nn1 ZINC000424176176 330316385 /nfs/dbraw/zinc/31/63/85/330316385.db2.gz WUECVGGLLHEBCF-MRXNPFEDSA-N 0 3 284.407 3.138 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)CC(C)C)CC1 ZINC000106034623 330331243 /nfs/dbraw/zinc/33/12/43/330331243.db2.gz BALDFFFIXWZGRV-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C[C@@H]1Cc2ccc(F)cc2[C@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000424331255 330342324 /nfs/dbraw/zinc/34/23/24/330342324.db2.gz RXAZXMULHWUSLO-KTMIJUKYSA-N 0 3 258.340 3.341 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000533299150 330356544 /nfs/dbraw/zinc/35/65/44/330356544.db2.gz DBGFDHNPEGTVAT-QKPAOTATSA-N 0 3 280.456 3.214 20 30 CGEDHN Cc1csc([C@@H](C)NCCCC(C)(C)C#N)n1 ZINC000087598465 330373770 /nfs/dbraw/zinc/37/37/70/330373770.db2.gz YYMCBMPLKDMRAM-LLVKDONJSA-N 0 3 251.399 3.432 20 30 CGEDHN Oc1cccc2c1C[C@H](NCC#Cc1cccc(Cl)c1)C2 ZINC000429312496 330543671 /nfs/dbraw/zinc/54/36/71/330543671.db2.gz WYHBYIUVHBYAIW-MRXNPFEDSA-N 0 3 297.785 3.154 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCOc3ccccc32)CC1 ZINC000430760873 330573608 /nfs/dbraw/zinc/57/36/08/330573608.db2.gz KGTHVDYPSYOQMW-CQSZACIVSA-N 0 3 256.349 3.184 20 30 CGEDHN CC(C)c1ccc(OCCN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442785289 330783192 /nfs/dbraw/zinc/78/31/92/330783192.db2.gz RNDIFAZJWAFCFM-HOCLYGCPSA-N 0 3 272.392 3.471 20 30 CGEDHN C=CCSCCNCc1ccc2c(c1)OCCCCO2 ZINC000449131261 330900884 /nfs/dbraw/zinc/90/08/84/330900884.db2.gz LGBXTQVJBGIPLX-UHFFFAOYSA-N 0 3 293.432 3.247 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccsc2)s1 ZINC000449516696 330932915 /nfs/dbraw/zinc/93/29/15/330932915.db2.gz BTJMUKAMTDYONL-OLZOCXBDSA-N 0 3 292.429 3.305 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C(C)C)C2)CCCC1 ZINC000450932687 331007911 /nfs/dbraw/zinc/00/79/11/331007911.db2.gz SGSGSTNUTXXMKV-HNNXBMFYSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(C(=O)NCC2(N(C)C)CCC2)CCCCC1 ZINC000451008619 331011641 /nfs/dbraw/zinc/01/16/41/331011641.db2.gz MWXGRZHDSZEUHF-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CC(C)(C)CN[C@H](C)c1cc(OC)ncc1F ZINC000453303469 331113655 /nfs/dbraw/zinc/11/36/55/331113655.db2.gz CHINBAYIAQQMTM-SNVBAGLBSA-N 0 3 252.333 3.092 20 30 CGEDHN C=C(C)CCN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000453331181 331117773 /nfs/dbraw/zinc/11/77/73/331117773.db2.gz ZPZZPEFDMAOBQT-LBPRGKRZSA-N 0 3 288.370 3.332 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCSc2ccc(F)cc21 ZINC000453340700 331119129 /nfs/dbraw/zinc/11/91/29/331119129.db2.gz CFCHLHVCTDEKHD-MCIONIFRSA-N 0 3 279.380 3.296 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2cc(F)ccc21 ZINC000453361737 331122447 /nfs/dbraw/zinc/12/24/47/331122447.db2.gz PHOTWXNGUQKEFA-OAGGEKHMSA-N 0 3 261.340 3.136 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H]1CCSc2ccc(OC)cc21 ZINC000453363238 331122823 /nfs/dbraw/zinc/12/28/23/331122823.db2.gz QRLJCDZBEJGGFC-WFASDCNBSA-N 0 3 293.432 3.149 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000453364857 331123121 /nfs/dbraw/zinc/12/31/21/331123121.db2.gz QJXKJOMKEIUDSS-YUELXQCFSA-N 0 3 263.356 3.437 20 30 CGEDHN C=C(C)CNCc1sc(C)cc1Br ZINC000453588362 331135043 /nfs/dbraw/zinc/13/50/43/331135043.db2.gz DCZMNSKDAJQBNI-UHFFFAOYSA-N 0 3 260.200 3.485 20 30 CGEDHN C=CCC1(CNC(=O)C2CCN(C3CC3)CC2)CCCC1 ZINC000456502739 331194487 /nfs/dbraw/zinc/19/44/87/331194487.db2.gz HNLHCVGXYVKDGV-UHFFFAOYSA-N 0 3 290.451 3.114 20 30 CGEDHN CC1(C2(NC(=O)C(C#N)CCc3ccccc3)CC2)CC1 ZINC000456638850 331198025 /nfs/dbraw/zinc/19/80/25/331198025.db2.gz DCDFAINZLITQRU-OAHLLOKOSA-N 0 3 282.387 3.208 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000457064244 331211273 /nfs/dbraw/zinc/21/12/73/331211273.db2.gz FVNCSZHKBFQNOR-MPKXVKKWSA-N 0 3 276.767 3.252 20 30 CGEDHN C=C[C@@H](C)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459437711 331281386 /nfs/dbraw/zinc/28/13/86/331281386.db2.gz HBMFELJGKVTVDU-DTZQCDIJSA-N 0 3 277.433 3.489 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1C[C@@H](OC(C)C)C1 ZINC000459632155 331291258 /nfs/dbraw/zinc/29/12/58/331291258.db2.gz KZASZULDRQFBKJ-IYBDPMFKSA-N 0 3 275.392 3.297 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@H]2CCC[C@@H]2c2ccccc2)C1=O ZINC000459720175 331295671 /nfs/dbraw/zinc/29/56/71/331295671.db2.gz ZFDPEERSMFVARC-SQNIBIBYSA-N 0 3 298.430 3.041 20 30 CGEDHN CC[C@@H]1OCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000459769686 331299806 /nfs/dbraw/zinc/29/98/06/331299806.db2.gz HJWMGRUGVKLULA-CABCVRRESA-N 0 3 297.320 3.214 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](CCC)C1 ZINC000466478245 331398139 /nfs/dbraw/zinc/39/81/39/331398139.db2.gz YFKXBBVUWRMTBU-CVEARBPZSA-N 0 3 278.440 3.088 20 30 CGEDHN CC(C)(C)OC(=O)C1CCN(CCCC(C)(C)C#N)CC1 ZINC000472232493 331532640 /nfs/dbraw/zinc/53/26/40/331532640.db2.gz UCYHBZSCEQSBOI-UHFFFAOYSA-N 0 3 294.439 3.370 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000478777549 331713709 /nfs/dbraw/zinc/71/37/09/331713709.db2.gz YFPUSWWLXWAASH-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC000172173355 335096527 /nfs/dbraw/zinc/09/65/27/335096527.db2.gz PIWBERCZKVVEKP-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000177122810 333053699 /nfs/dbraw/zinc/05/36/99/333053699.db2.gz QQWBRMRFLBVWAZ-UHFFFAOYSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000178540836 333074937 /nfs/dbraw/zinc/07/49/37/333074937.db2.gz LLAOCOWQHVXNOB-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCOc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000517711573 333106423 /nfs/dbraw/zinc/10/64/23/333106423.db2.gz MADCBUGHUBOEDT-UHFFFAOYSA-N 0 3 293.370 3.418 20 30 CGEDHN C=CCOc1ccccc1CNCc1ccc2nc[nH]c2c1 ZINC000517711573 333106425 /nfs/dbraw/zinc/10/64/25/333106425.db2.gz MADCBUGHUBOEDT-UHFFFAOYSA-N 0 3 293.370 3.418 20 30 CGEDHN COc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000522034566 333230791 /nfs/dbraw/zinc/23/07/91/333230791.db2.gz FDICONMIULXAQX-QWHCGFSZSA-N 0 3 258.365 3.081 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CSC2(C)C)cc1 ZINC000338475813 335136704 /nfs/dbraw/zinc/13/67/04/335136704.db2.gz XWUHJCCDDJESSZ-CQSZACIVSA-N 0 3 263.406 3.235 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000528755705 333455792 /nfs/dbraw/zinc/45/57/92/333455792.db2.gz HSTSWDIUFOTBEH-BCUIYNNISA-N 0 3 277.795 3.093 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1cccs1)C(CC)CC ZINC000539278771 333663746 /nfs/dbraw/zinc/66/37/46/333663746.db2.gz GONXOQKHFADRPE-OAHLLOKOSA-N 0 3 280.437 3.117 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000076733836 334088167 /nfs/dbraw/zinc/08/81/67/334088167.db2.gz QTWVCVKDYLJHSS-SFHVURJKSA-N 0 3 286.419 3.152 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)C[C@@H]1CCCOC1 ZINC000135062652 334114179 /nfs/dbraw/zinc/11/41/79/334114179.db2.gz DLOJLBDWWWGEDP-AWEZNQCLSA-N 0 3 277.795 3.050 20 30 CGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000549469096 334194856 /nfs/dbraw/zinc/19/48/56/334194856.db2.gz REAXBRNWRSKTSM-SOUVJXGZSA-N 0 3 292.423 3.122 20 30 CGEDHN CCCC(=O)Nc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000576302747 335186928 /nfs/dbraw/zinc/18/69/28/335186928.db2.gz USASKEUCRTVURB-ZFWWWQNUSA-N 0 3 285.391 3.207 20 30 CGEDHN CCc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000577184165 335318597 /nfs/dbraw/zinc/31/85/97/335318597.db2.gz KYQXHROGZSLIHC-UHFFFAOYSA-N 0 3 280.371 3.419 20 30 CGEDHN CCN1CCC[C@H]1CNc1cccc(C(F)F)c1C#N ZINC000581835065 336149923 /nfs/dbraw/zinc/14/99/23/336149923.db2.gz KZXNAIBFPHKTNF-NSHDSACASA-N 0 3 279.334 3.392 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1c(C#N)cccc1C#N ZINC000436383895 533739385 /nfs/dbraw/zinc/73/93/85/533739385.db2.gz DNROYCMVPJBMBO-ZIAGYGMSSA-N 0 3 282.391 3.105 20 30 CGEDHN Cc1cc(C[C@H](C)N[C@H](C)c2ccc(C#N)cc2F)[nH]n1 ZINC000358557645 533763642 /nfs/dbraw/zinc/76/36/42/533763642.db2.gz CHJYCMFCEBAELD-CMPLNLGQSA-N 0 3 286.354 3.011 20 30 CGEDHN Cc1cc(C[C@H](C)N[C@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358557645 533763649 /nfs/dbraw/zinc/76/36/49/533763649.db2.gz CHJYCMFCEBAELD-CMPLNLGQSA-N 0 3 286.354 3.011 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCc1cncs1 ZINC000425537294 534081995 /nfs/dbraw/zinc/08/19/95/534081995.db2.gz QKZOUTWRZKQRRG-LBPRGKRZSA-N 0 3 271.389 3.250 20 30 CGEDHN C[C@@H]1CC[C@@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000364490668 534156377 /nfs/dbraw/zinc/15/63/77/534156377.db2.gz LRDNYVYZOFUJQA-KDOFPFPSSA-N 0 3 282.387 3.215 20 30 CGEDHN Cc1cccc(C(C)(C)CNCc2nc(C#N)cs2)c1 ZINC000352834319 534632709 /nfs/dbraw/zinc/63/27/09/534632709.db2.gz LBHYUUGTGMXUNT-UHFFFAOYSA-N 0 3 285.416 3.391 20 30 CGEDHN N#Cc1c(CN2CC[C@H]3CCC[C@H]32)cn2ccccc12 ZINC000426486227 534761568 /nfs/dbraw/zinc/76/15/68/534761568.db2.gz LAEHHMIUYZLBND-CZUORRHYSA-N 0 3 265.360 3.185 20 30 CGEDHN N#Cc1ccc(F)c(CN2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000177575337 534786563 /nfs/dbraw/zinc/78/65/63/534786563.db2.gz OXCVPAHRPJTTQK-KBPBESRZSA-N 0 3 258.340 3.319 20 30 CGEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000331838344 534842020 /nfs/dbraw/zinc/84/20/20/534842020.db2.gz SIQJAPDECKQGSC-KRWDZBQOSA-N 0 3 294.402 3.430 20 30 CGEDHN C=CCN(C[C@@H](O)COc1cc(C)ccc1Cl)C1CC1 ZINC000347542425 526330248 /nfs/dbraw/zinc/33/02/48/526330248.db2.gz OSRDXFDJPMZNPS-CQSZACIVSA-N 0 3 295.810 3.039 20 30 CGEDHN C=CCOCCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000347970860 526749457 /nfs/dbraw/zinc/74/94/57/526749457.db2.gz XLKYDEOFFUGJBX-OAHLLOKOSA-N 0 3 295.448 3.322 20 30 CGEDHN C=CCC(C)(C)CNC(=O)c1cccc(CN(C)C)c1 ZINC000352540482 527016385 /nfs/dbraw/zinc/01/63/85/527016385.db2.gz LQEWUGLDTVRWHB-UHFFFAOYSA-N 0 3 274.408 3.080 20 30 CGEDHN C=CCCN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347333628 527326445 /nfs/dbraw/zinc/32/64/45/527326445.db2.gz HXABHFSZONOIGD-ZIAGYGMSSA-N 0 3 263.406 3.063 20 30 CGEDHN C=C[C@@H](CO)NCc1ccc(-c2cccc(F)c2)s1 ZINC000352455378 527440451 /nfs/dbraw/zinc/44/04/51/527440451.db2.gz YJSKXUHWPISDGE-ZDUSSCGKSA-N 0 3 277.364 3.191 20 30 CGEDHN C=CCC[C@@H](NC[C@@](C)(O)C(C)C)c1ccco1 ZINC000353519611 527449427 /nfs/dbraw/zinc/44/94/27/527449427.db2.gz MYZFFTYTENQWBW-UKRRQHHQSA-N 0 3 251.370 3.284 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(OCc2nccn2C)cc1 ZINC000114723868 527644216 /nfs/dbraw/zinc/64/42/16/527644216.db2.gz GIXFLGJEBIWZTR-UHFFFAOYSA-N 0 3 297.402 3.173 20 30 CGEDHN CC1(C)C[C@H](NCc2cccc(C#N)c2F)C(C)(C)O1 ZINC000358981448 527744492 /nfs/dbraw/zinc/74/44/92/527744492.db2.gz IPATYPNWXFISRJ-ZDUSSCGKSA-N 0 3 276.355 3.133 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000359000339 528060669 /nfs/dbraw/zinc/06/06/69/528060669.db2.gz HKECMBXYEQOCMN-HUUCEWRRSA-N 0 3 290.382 3.379 20 30 CGEDHN CC(C)O[C@H]1C[C@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000359000337 528090542 /nfs/dbraw/zinc/09/05/42/528090542.db2.gz HKECMBXYEQOCMN-GJZGRUSLSA-N 0 3 290.382 3.379 20 30 CGEDHN CS[C@@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422092 572352614 /nfs/dbraw/zinc/35/26/14/572352614.db2.gz TXDGNHWFSLGQCZ-IONNQARKSA-N 0 3 294.376 3.363 20 30 CGEDHN C[C@@H]1C[C@H](/N=C/c2c([O-])ccc3ccccc32)CC[N@@H+]1C ZINC000741463321 572412085 /nfs/dbraw/zinc/41/20/85/572412085.db2.gz DCHNZJHDLANYMT-JMPAWAFNSA-N 0 3 282.387 3.447 20 30 CGEDHN C[C@@H]1C[C@H](/N=C/c2c([O-])ccc3ccccc32)CC[N@H+]1C ZINC000741463321 572412089 /nfs/dbraw/zinc/41/20/89/572412089.db2.gz DCHNZJHDLANYMT-JMPAWAFNSA-N 0 3 282.387 3.447 20 30 CGEDHN C#CCOc1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000733328428 572556553 /nfs/dbraw/zinc/55/65/53/572556553.db2.gz UVGBRSFUUZATAC-UHFFFAOYSA-N 0 3 277.367 3.478 20 30 CGEDHN Cc1ccccc1[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000741782008 572616283 /nfs/dbraw/zinc/61/62/83/572616283.db2.gz WIBKVXLLZLQFGF-SFHVURJKSA-N 0 3 280.371 3.032 20 30 CGEDHN CC(C)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735309330 572714623 /nfs/dbraw/zinc/71/46/23/572714623.db2.gz CVCWGPDGWYAFFA-UHFFFAOYSA-N 0 3 266.772 3.330 20 30 CGEDHN C=C(Cl)CN(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000747531164 572934097 /nfs/dbraw/zinc/93/40/97/572934097.db2.gz DXHGQSIMZBWFDM-MRXNPFEDSA-N 0 3 278.827 3.335 20 30 CGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819733884 607000092 /nfs/dbraw/zinc/00/00/92/607000092.db2.gz DONNDUVZXKRRMA-OAHLLOKOSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCC[C@@H](CCC)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819733884 607000094 /nfs/dbraw/zinc/00/00/94/607000094.db2.gz DONNDUVZXKRRMA-OAHLLOKOSA-N 0 3 285.395 3.091 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccoc2C(C)C)C1 ZINC000970953132 613303676 /nfs/dbraw/zinc/30/36/76/613303676.db2.gz CNIHJLJSMKDYNY-ZDUSSCGKSA-N 0 3 290.407 3.029 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945823 613323543 /nfs/dbraw/zinc/32/35/43/613323543.db2.gz BYCIGCXQOAGCNW-WBVHZDCISA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977505277 613341746 /nfs/dbraw/zinc/34/17/46/613341746.db2.gz TUEOJMCFJGTXFX-JYJNAYRXSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981754013 613430944 /nfs/dbraw/zinc/43/09/44/613430944.db2.gz QYXOSCKBEXAVPE-UHFFFAOYSA-N 0 3 290.451 3.233 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC000981451408 613495128 /nfs/dbraw/zinc/49/51/28/613495128.db2.gz SDTCIAYQFNUFDS-AEFFLSMTSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000972788408 613636826 /nfs/dbraw/zinc/63/68/26/613636826.db2.gz FOMWHTNYXBAIOS-KRWDZBQOSA-N 0 3 286.419 3.142 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cscc2Cl)[C@@H](C)C1 ZINC000942155695 613760365 /nfs/dbraw/zinc/76/03/65/613760365.db2.gz KEAKXMMFZRDFOA-GXFFZTMASA-N 0 3 298.839 3.028 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2cccc(C(=C)C)c2)CC1 ZINC000890891293 617890392 /nfs/dbraw/zinc/89/03/92/617890392.db2.gz SURZQXSJGYHKOL-UHFFFAOYSA-N 0 3 282.387 3.003 20 30 CGEDHN Cc1csc(C[C@@H]2CCN(CC3(CC#N)CC3)C2)n1 ZINC000933128470 618159382 /nfs/dbraw/zinc/15/93/82/618159382.db2.gz UUHIUSISGOUUKF-ZDUSSCGKSA-N 0 3 275.421 3.010 20 30 CGEDHN N#CC1(CCCCN2CCOC[C@@H]2CC2CC2)CCC1 ZINC000933205548 618166953 /nfs/dbraw/zinc/16/69/53/618166953.db2.gz ZDUIKYPIHLOZGZ-INIZCTEOSA-N 0 3 276.424 3.351 20 30 CGEDHN COc1cccc([C@H](C/N=C\c2ccccc2O)N(C)C)c1 ZINC000255395648 618284921 /nfs/dbraw/zinc/28/49/21/618284921.db2.gz SPRMLQULUBWHDT-LSPINASFSA-N 0 3 298.386 3.123 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C)c1 ZINC000121683227 618465561 /nfs/dbraw/zinc/46/55/61/618465561.db2.gz NHUKXPVMDYRFOA-AWEZNQCLSA-N 0 3 286.375 3.469 20 30 CGEDHN CO[C@H]1CC[C@H]1N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000934110281 618470566 /nfs/dbraw/zinc/47/05/66/618470566.db2.gz XUBVWHJAMUIHQW-KGLIPLIRSA-N 0 3 298.308 3.186 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NC2(CCCC)CC2)CC1 ZINC000892851704 618943849 /nfs/dbraw/zinc/94/38/49/618943849.db2.gz OJARYICLCVWLLZ-UHFFFAOYSA-N 0 3 293.455 3.049 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000893274839 619058822 /nfs/dbraw/zinc/05/88/22/619058822.db2.gz LKFIYYLCGCTHQG-BZUAXINKSA-N 0 3 289.469 3.007 20 30 CGEDHN CC[C@H](C(=O)OC(C)(C)C)N(C)CC1CCC(C#N)CC1 ZINC000930868638 619085182 /nfs/dbraw/zinc/08/51/82/619085182.db2.gz XPQKCTSCKCCYJH-YMAMQOFZSA-N 0 3 294.439 3.368 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931920637 619275287 /nfs/dbraw/zinc/27/52/87/619275287.db2.gz ZTHJVNGKJDWBCO-GHMZBOCLSA-N 0 3 263.278 3.155 20 30 CGEDHN Cc1nc([C@H]2CCN(CCCCC3(C#N)CCC3)C2)no1 ZINC000931935852 619284819 /nfs/dbraw/zinc/28/48/19/619284819.db2.gz IZVKOHBDACZBAO-AWEZNQCLSA-N 0 3 288.395 3.032 20 30 CGEDHN COCCN(Cc1csc(C#N)c1)[C@@H]1CC[C@H](C)C1 ZINC000894002045 619349755 /nfs/dbraw/zinc/34/97/55/619349755.db2.gz UPBPBHMCNAXLJH-GXTWGEPZSA-N 0 3 278.421 3.257 20 30 CGEDHN N#Cc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000894736065 619617490 /nfs/dbraw/zinc/61/74/90/619617490.db2.gz NRJXOCQVSXOKFS-HUUCEWRRSA-N 0 3 258.390 3.240 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cnc(CC(F)(F)F)s2)C1 ZINC000895009896 619694749 /nfs/dbraw/zinc/69/47/49/619694749.db2.gz HEWLZXHXONKPAP-DTWKUNHWSA-N 0 3 289.326 3.030 20 30 CGEDHN C=CCNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000794999208 619801458 /nfs/dbraw/zinc/80/14/58/619801458.db2.gz CKGZOXGXFKOJSM-ZVWAPXQTSA-N 0 3 255.365 3.059 20 30 CGEDHN C#CC1(O)CCN(Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000895383249 619818018 /nfs/dbraw/zinc/81/80/18/619818018.db2.gz PVFQHEDOVRRDPH-UHFFFAOYSA-N 0 3 283.371 3.010 20 30 CGEDHN C#CCC1(O)CCN(Cc2cccc(SCC)c2)CC1 ZINC000895670928 619869367 /nfs/dbraw/zinc/86/93/67/619869367.db2.gz XPWJDSMXSCMLKL-UHFFFAOYSA-N 0 3 289.444 3.149 20 30 CGEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000073012445 625407812 /nfs/dbraw/zinc/40/78/12/625407812.db2.gz DPEIZSPBKJOHOR-INIZCTEOSA-N 0 3 296.370 3.363 20 30 CGEDHN CCCc1cccc(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000897599797 620406528 /nfs/dbraw/zinc/40/65/28/620406528.db2.gz WBZXDCYPZBTITP-UHFFFAOYSA-N 0 3 299.414 3.477 20 30 CGEDHN CC1=C[C@H](C)C[C@H](CNCc2nc(C#N)cs2)C1 ZINC000897628147 620413526 /nfs/dbraw/zinc/41/35/26/620413526.db2.gz DEVAVEZVAAPPFG-JQWIXIFHSA-N 0 3 261.394 3.097 20 30 CGEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989925629 620532810 /nfs/dbraw/zinc/53/28/10/620532810.db2.gz OFQHOPIDXGPTJT-HOCLYGCPSA-N 0 3 290.432 3.051 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)C(F)=C3CCCC3)CCC[C@H]12 ZINC000990224739 620539395 /nfs/dbraw/zinc/53/93/95/620539395.db2.gz SYTXTCPJEUBWKH-YOEHRIQHSA-N 0 3 292.398 3.083 20 30 CGEDHN C=CC(C)(C)NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000898457123 620589797 /nfs/dbraw/zinc/58/97/97/620589797.db2.gz LBHJHHVGWXXZNP-UHFFFAOYSA-N 0 3 291.395 3.483 20 30 CGEDHN Fc1cc([C@@H]2CCCCC2=Nn2cnnc2)cc(F)c1F ZINC000901118788 620834340 /nfs/dbraw/zinc/83/43/40/620834340.db2.gz JBOKMTLIXYMHOY-JTQLQIEISA-N 0 3 294.280 3.257 20 30 CGEDHN C[C@H](NC[C@]1(C)CC1(Cl)Cl)c1cc(C#N)ccn1 ZINC000903008053 621531168 /nfs/dbraw/zinc/53/11/68/621531168.db2.gz LCKDKSGVONZIMK-CABZTGNLSA-N 0 3 284.190 3.188 20 30 CGEDHN CO[C@](C)(CN[C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000903008242 621531662 /nfs/dbraw/zinc/53/16/62/621531662.db2.gz MUWRTAVZQUBQNZ-KBXCAEBGSA-N 0 3 295.386 3.166 20 30 CGEDHN Cc1cccc(C2=CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000801940255 621543756 /nfs/dbraw/zinc/54/37/56/621543756.db2.gz LWVKWRRCAKTFHI-OAHLLOKOSA-N 0 3 270.376 3.013 20 30 CGEDHN CC[C@H](N[C@H]1CCCn2nccc21)c1cccc(C#N)c1 ZINC000903084832 621564119 /nfs/dbraw/zinc/56/41/19/621564119.db2.gz KMGPENVLTGMAJX-HOTGVXAUSA-N 0 3 280.375 3.331 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)NCC1(C#N)CC1 ZINC000903108403 621581122 /nfs/dbraw/zinc/58/11/22/621581122.db2.gz BWELIEJHPPCRGN-INIZCTEOSA-N 0 3 254.377 3.457 20 30 CGEDHN C=CC[C@H](CO)N[C@@H]1CCCc2ccc(OC)c(Cl)c21 ZINC000903154781 621600790 /nfs/dbraw/zinc/60/07/90/621600790.db2.gz WPTOBYMZQGOQAZ-CHWSQXEVSA-N 0 3 295.810 3.253 20 30 CGEDHN C=CCC[C@@H](NCc1nc2c(s1)CCC2)[C@H]1CCCO1 ZINC000903191185 621627994 /nfs/dbraw/zinc/62/79/94/621627994.db2.gz PGXFFGTYWFNAFX-TZMCWYRMSA-N 0 3 292.448 3.235 20 30 CGEDHN CC[C@@H](NCc1nc(C#N)cs1)C(C)(C)CC ZINC000903265162 621639970 /nfs/dbraw/zinc/63/99/70/621639970.db2.gz YDDUSWUQFOXTBK-LLVKDONJSA-N 0 3 251.399 3.319 20 30 CGEDHN C[C@@H](NCC1(C2(O)CCC2)CC1)c1ccc(C#N)cc1F ZINC000903257238 621644366 /nfs/dbraw/zinc/64/43/66/621644366.db2.gz DVCWHEZMWXZASS-GFCCVEGCSA-N 0 3 288.366 3.043 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](c2ncccn2)C2CC2)C1 ZINC000903321634 621676592 /nfs/dbraw/zinc/67/65/92/621676592.db2.gz BGWAEVJTOXMHAD-VHDGCEQUSA-N 0 3 257.381 3.262 20 30 CGEDHN C[C@@H](NCc1ccc(CCO)cc1)c1ccc(C#N)c(F)c1 ZINC000903404029 621741850 /nfs/dbraw/zinc/74/18/50/621741850.db2.gz XIMKWQJLDNZIDB-CYBMUJFWSA-N 0 3 298.361 3.083 20 30 CGEDHN CC(C)[C@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000905462850 622078349 /nfs/dbraw/zinc/07/83/49/622078349.db2.gz WIYFJGRADFUUCS-SJORKVTESA-N 0 3 269.392 3.287 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCc2cccc3cccc1c32 ZINC000905843585 622119937 /nfs/dbraw/zinc/11/99/37/622119937.db2.gz ISSDAAOATRQHLC-GUYCJALGSA-N 0 3 294.398 3.107 20 30 CGEDHN C#CCOc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000769142360 625560677 /nfs/dbraw/zinc/56/06/77/625560677.db2.gz WCBRYILFXPJWLT-ZIAGYGMSSA-N 0 3 275.417 3.024 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1C ZINC000911918306 622563252 /nfs/dbraw/zinc/56/32/52/622563252.db2.gz XBGPVHXIIXUVLS-GFCCVEGCSA-N 0 3 266.772 3.271 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000912188126 622615935 /nfs/dbraw/zinc/61/59/35/622615935.db2.gz ZYLOPKYNSAYEDH-HOTGVXAUSA-N 0 3 290.382 3.173 20 30 CGEDHN CCCCCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000913508874 622783071 /nfs/dbraw/zinc/78/30/71/622783071.db2.gz IZQHYJYUBGVHOG-UHFFFAOYSA-N 0 3 280.456 3.434 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(C)c(Br)c1 ZINC000229883976 623171015 /nfs/dbraw/zinc/17/10/15/623171015.db2.gz LLLHWTJDSJCPBR-GFCCVEGCSA-N 0 3 266.182 3.259 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(Br)c(C)c1 ZINC000229888229 623173470 /nfs/dbraw/zinc/17/34/70/623173470.db2.gz AZHVTEUUQOWFHV-GFCCVEGCSA-N 0 3 266.182 3.259 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(F)c(Br)c1 ZINC000229900083 623176676 /nfs/dbraw/zinc/17/66/76/623176676.db2.gz PAQWJSJRQFTOIP-SNVBAGLBSA-N 0 3 270.145 3.090 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)OC)c([O-])c1 ZINC000173987738 623352740 /nfs/dbraw/zinc/35/27/40/623352740.db2.gz SPWGLHYPHJPOHF-GZTJUZNOSA-N 0 3 278.396 3.082 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC000992970365 623760181 /nfs/dbraw/zinc/76/01/81/623760181.db2.gz RMLNDYBSRSECSO-KGLIPLIRSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992988092 623772101 /nfs/dbraw/zinc/77/21/01/623772101.db2.gz UYEKKKKLYBKKIR-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993740480 624060215 /nfs/dbraw/zinc/06/02/15/624060215.db2.gz ITHFNSOYYYUBQO-WBVHZDCISA-N 0 3 290.451 3.278 20 30 CGEDHN CCCCCCCCCN(C)CC(=O)N1CCCC1 ZINC000919648848 624415514 /nfs/dbraw/zinc/41/55/14/624415514.db2.gz XVWDNULYCGUTEH-UHFFFAOYSA-N 0 3 268.445 3.291 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccccc2)cc1 ZINC000237578819 624659777 /nfs/dbraw/zinc/65/97/77/624659777.db2.gz PCNFYSGCFJHDBI-CQSZACIVSA-N 0 3 266.344 3.267 20 30 CGEDHN C=CCN(CCC(=O)C1CC1)CCc1ccccc1 ZINC000767351178 624728755 /nfs/dbraw/zinc/72/87/55/624728755.db2.gz VWCQLPBGNXEWHJ-UHFFFAOYSA-N 0 3 257.377 3.086 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C=C2CCCCC2)C1 ZINC000998497929 625813183 /nfs/dbraw/zinc/81/31/83/625813183.db2.gz PZTSPRMZKXPSPO-UHFFFAOYSA-N 0 3 296.842 3.208 20 30 CGEDHN CSC[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921755405 625864213 /nfs/dbraw/zinc/86/42/13/625864213.db2.gz ASDDDFREJREIOU-VIFPVBQESA-N 0 3 299.237 3.162 20 30 CGEDHN C=CCOc1ccc(CNCc2cc(N(C)C)ccn2)cc1 ZINC000922481714 626008026 /nfs/dbraw/zinc/00/80/26/626008026.db2.gz VCZJZUFKYYDHCB-UHFFFAOYSA-N 0 3 297.402 3.002 20 30 CGEDHN COc1ccc(CNCc2ccc(C)c(C#N)c2)cc1C ZINC000922759654 626043302 /nfs/dbraw/zinc/04/33/02/626043302.db2.gz ROLZGQKEXUYARF-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(C)coc2C)CC1 ZINC001005343539 626089677 /nfs/dbraw/zinc/08/96/77/626089677.db2.gz RDBHITWJXAEWII-UHFFFAOYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cscc2Cl)CC1 ZINC001005544301 626091810 /nfs/dbraw/zinc/09/18/10/626091810.db2.gz YPDFBPOABDFTCI-UHFFFAOYSA-N 0 3 298.839 3.124 20 30 CGEDHN C#CCC1(NCc2nccn2C(F)F)CCCCC1 ZINC000922981079 626114650 /nfs/dbraw/zinc/11/46/50/626114650.db2.gz HDBPRAKNRSNOJV-UHFFFAOYSA-N 0 3 267.323 3.094 20 30 CGEDHN C[C@@H]1CC(N=Nc2cc(F)c(F)c(F)c2)CN1C1CC1 ZINC000753960226 626470135 /nfs/dbraw/zinc/47/01/35/626470135.db2.gz PFERZCGUVYAACM-MRVPVSSYSA-N 0 3 283.297 3.128 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc2ncccc12 ZINC000755893529 626657198 /nfs/dbraw/zinc/65/71/98/626657198.db2.gz VPFPSRTVNHZVOU-GFCCVEGCSA-N 0 3 280.375 3.117 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCCCO1)c1ccc2ccccc2n1 ZINC000756225460 626685144 /nfs/dbraw/zinc/68/51/44/626685144.db2.gz KPERZBIDNSGGJX-GJZGRUSLSA-N 0 3 294.354 3.370 20 30 CGEDHN C=C(C)[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)OCC ZINC000756520960 626712069 /nfs/dbraw/zinc/71/20/69/626712069.db2.gz UIRFBTYVPGLNGP-BLLLJJGKSA-N 0 3 298.342 3.375 20 30 CGEDHN N#CCC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759868372 626928186 /nfs/dbraw/zinc/92/81/86/626928186.db2.gz NQDVGBUIDLGOPI-HNNXBMFYSA-N 0 3 296.773 3.138 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000765015907 627236478 /nfs/dbraw/zinc/23/64/78/627236478.db2.gz RSSRIOTXQDGLJT-OAHLLOKOSA-N 0 3 290.366 3.421 20 30 CGEDHN Cc1cc(CNCc2ccc(OCC#N)cc2)ccc1C#N ZINC000767690567 627429083 /nfs/dbraw/zinc/42/90/83/627429083.db2.gz PDSCIBDVOBNGNK-UHFFFAOYSA-N 0 3 291.354 3.059 20 30 CGEDHN C=CCSCCN[C@H](C)c1c(C)onc1CC ZINC000772956104 627834429 /nfs/dbraw/zinc/83/44/29/627834429.db2.gz WAYLWTRCMFXLQF-SNVBAGLBSA-N 0 3 254.399 3.115 20 30 CGEDHN C#C[C@@H](NCCc1cc(Cl)cc(Cl)c1)[C@H]1CCCO1 ZINC000773857628 627920430 /nfs/dbraw/zinc/92/04/30/627920430.db2.gz KYPYAZDFWWMHBC-HUUCEWRRSA-N 0 3 298.213 3.306 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000775554887 628106673 /nfs/dbraw/zinc/10/66/73/628106673.db2.gz ZCOJZTGPYAXQRV-GXFFZTMASA-N 0 3 289.297 3.173 20 30 CGEDHN C#C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)[C@H]1CCCO1 ZINC000775571232 628107818 /nfs/dbraw/zinc/10/78/18/628107818.db2.gz DCKLKIUZOYYTGO-GVDBMIGSSA-N 0 3 269.388 3.179 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000775571857 628108963 /nfs/dbraw/zinc/10/89/63/628108963.db2.gz LTCVBFQJYFTTSM-AEGPPILISA-N 0 3 289.444 3.458 20 30 CGEDHN C[C@H](N[C@H](CCO)c1cccs1)c1cccc(C#N)c1 ZINC000776165094 628173635 /nfs/dbraw/zinc/17/36/35/628173635.db2.gz XHLGPHHFBVYDDY-SWLSCSKDSA-N 0 3 286.400 3.394 20 30 CGEDHN CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccccc1N(C)C ZINC000780247310 628470288 /nfs/dbraw/zinc/47/02/88/628470288.db2.gz QMPAHXVSMYPBRU-CQSZACIVSA-N 0 3 289.423 3.024 20 30 CGEDHN C#CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783522539 628721621 /nfs/dbraw/zinc/72/16/21/628721621.db2.gz PEOVTGLLBWELAE-CQSZACIVSA-N 0 3 281.355 3.255 20 30 CGEDHN COCC#CCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784481383 628815427 /nfs/dbraw/zinc/81/54/27/628815427.db2.gz BRKGOMSPZVXXSY-CQSZACIVSA-N 0 3 297.320 3.145 20 30 CGEDHN Cc1nc(F)ccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000785617816 628874909 /nfs/dbraw/zinc/87/49/09/628874909.db2.gz VPMOZADMOJKUEH-INIZCTEOSA-N 0 3 281.334 3.178 20 30 CGEDHN CSC1(C(=O)C(C#N)c2cnc3ccccc3n2)CCC1 ZINC000786517885 628942554 /nfs/dbraw/zinc/94/25/54/628942554.db2.gz HFUUZNGYXHVHIA-LLVKDONJSA-N 0 3 297.383 3.092 20 30 CGEDHN COc1cc(N=NC2CN(C3CC3)C[C@@H]2C)ccc1Cl ZINC000788468758 629056174 /nfs/dbraw/zinc/05/61/74/629056174.db2.gz XWYUWWCLYMTIGT-JTQLQIEISA-N 0 3 293.798 3.231 20 30 CGEDHN C#CCN(C[C@@H]1CC[C@@H](C)O1)[C@H]1CCc2ccccc21 ZINC000789308716 629123108 /nfs/dbraw/zinc/12/31/08/629123108.db2.gz AZCAEARBAGOVHQ-HFTRVMKXSA-N 0 3 269.388 3.177 20 30 CGEDHN C#CCn1ccc(CN(CC)[C@H](C)CCc2ccccc2)n1 ZINC000789325371 629124509 /nfs/dbraw/zinc/12/45/09/629124509.db2.gz DBGSRXIRVOZAMD-QGZVFWFLSA-N 0 3 295.430 3.360 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H]2CCCC[C@H]2C)n1 ZINC000789761804 629166245 /nfs/dbraw/zinc/16/62/45/629166245.db2.gz JABMHFSVXPKDSV-HZPDHXFCSA-N 0 3 273.424 3.165 20 30 CGEDHN C#C[C@H](CC)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805918069 629194981 /nfs/dbraw/zinc/19/49/81/629194981.db2.gz HXCJYIQWKOXLKB-QGZVFWFLSA-N 0 3 299.414 3.244 20 30 CGEDHN Cn1ccnc1N=NCc1ccc(SC(F)F)cc1 ZINC000790300395 629201036 /nfs/dbraw/zinc/20/10/36/629201036.db2.gz WZIYLBYUXKUKLP-UHFFFAOYSA-N 0 3 282.319 3.181 20 30 CGEDHN C#CCN(C)CCCOc1cccc2ccccc21 ZINC000792298055 629354725 /nfs/dbraw/zinc/35/47/25/629354725.db2.gz DBRSECQFAUFGKJ-UHFFFAOYSA-N 0 3 253.345 3.174 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)ccc2OC)C1 ZINC000862443608 629376708 /nfs/dbraw/zinc/37/67/08/629376708.db2.gz QYLGRIXWSWJJNF-GFCCVEGCSA-N 0 3 263.768 3.194 20 30 CGEDHN C#CCN(CC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792797374 629382937 /nfs/dbraw/zinc/38/29/37/629382937.db2.gz XANXLONMKBIAMG-UHFFFAOYSA-N 0 3 284.325 3.227 20 30 CGEDHN C=CC[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccncc1 ZINC000794800614 629577915 /nfs/dbraw/zinc/57/79/15/629577915.db2.gz FDHRGGXTZLRYKJ-JKSUJKDBSA-N 0 3 282.391 3.100 20 30 CGEDHN C[C@@H]1C(=O)CC[C@H]1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000796654848 629811331 /nfs/dbraw/zinc/81/13/31/629811331.db2.gz PHFCYJJGVKAOSJ-SDDRHHMPSA-N 0 3 296.326 3.009 20 30 CGEDHN CSCCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000799199087 630158314 /nfs/dbraw/zinc/15/83/14/630158314.db2.gz PJBQNUAEMOEZGA-UHFFFAOYSA-N 0 3 298.839 3.427 20 30 CGEDHN C=CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccncc1 ZINC000799336411 630169336 /nfs/dbraw/zinc/16/93/36/630169336.db2.gz MOJYDNFMSARKDG-KRWDZBQOSA-N 0 3 293.370 3.369 20 30 CGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000800384939 630270192 /nfs/dbraw/zinc/27/01/92/630270192.db2.gz NJAZZUTZWOQYBF-ZFWWWQNUSA-N 0 3 286.375 3.469 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H]1CCc2ccccc2OC1 ZINC000801574155 630345293 /nfs/dbraw/zinc/34/52/93/630345293.db2.gz CECFPACEUUTERP-GOSISDBHSA-N 0 3 277.367 3.022 20 30 CGEDHN C[C@@H](C#N)OCCN(C)Cc1ccccc1C(F)(F)F ZINC000801911054 630363782 /nfs/dbraw/zinc/36/37/82/630363782.db2.gz SUWXVMQBQXDTFX-NSHDSACASA-N 0 3 286.297 3.066 20 30 CGEDHN CC[C@@H](NCCO[C@@H](C)C#N)c1ccccc1OC(F)F ZINC000801937784 630370892 /nfs/dbraw/zinc/37/08/92/630370892.db2.gz WJHSEFYFXYDQMV-WCQYABFASA-N 0 3 298.333 3.257 20 30 CGEDHN N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1Cl ZINC000802656603 630403305 /nfs/dbraw/zinc/40/33/05/630403305.db2.gz NDIAJMCUIWOTNA-UHFFFAOYSA-N 0 3 290.725 3.346 20 30 CGEDHN C#Cc1ccc(CNCc2ccnc(SC)c2)cc1 ZINC000809634507 630769269 /nfs/dbraw/zinc/76/92/69/630769269.db2.gz GEKDPUIYXNGHGX-UHFFFAOYSA-N 0 3 268.385 3.075 20 30 CGEDHN C#C[C@@H](NCc1cccc(OC(F)F)c1)C(C)C ZINC000809684726 630780902 /nfs/dbraw/zinc/78/09/02/630780902.db2.gz LIZYGJAJZDBSGV-CYBMUJFWSA-N 0 3 253.292 3.035 20 30 CGEDHN C#C[C@H](CC)NCc1cc(C)c(OC(F)F)c(C)c1 ZINC000809685992 630781765 /nfs/dbraw/zinc/78/17/65/630781765.db2.gz GEHMQBLMAVIIEO-CYBMUJFWSA-N 0 3 267.319 3.406 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000809686038 630782008 /nfs/dbraw/zinc/78/20/08/630782008.db2.gz IYKOCXIHRPJKKN-LBPRGKRZSA-N 0 3 281.783 3.249 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OCCC)c(OCC)c1 ZINC000809686572 630783516 /nfs/dbraw/zinc/78/35/16/630783516.db2.gz ZNYDRFDANDWCSP-HNNXBMFYSA-N 0 3 275.392 3.376 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(OC)c1C)C(C)(C)C ZINC000809781534 630806201 /nfs/dbraw/zinc/80/62/01/630806201.db2.gz VGMWNLQVTSIMOQ-HNNXBMFYSA-N 0 3 275.392 3.150 20 30 CGEDHN CO[C@@](C)(C(=O)C(C#N)c1nccc2ccccc21)C1CC1 ZINC000813089287 631350968 /nfs/dbraw/zinc/35/09/68/631350968.db2.gz AVAPWAUQRCEHAZ-CRAIPNDOSA-N 0 3 294.354 3.226 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000876545312 634853813 /nfs/dbraw/zinc/85/38/13/634853813.db2.gz DEKIGSGDPBWHLH-SNVBAGLBSA-N 0 3 292.688 3.114 20 30 CGEDHN C#CCCCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000813328928 631409324 /nfs/dbraw/zinc/40/93/24/631409324.db2.gz MJDAJAWATNKLJI-CQSZACIVSA-N 0 3 263.768 3.304 20 30 CGEDHN C(=NOCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000814243553 631557810 /nfs/dbraw/zinc/55/78/10/631557810.db2.gz CBAFPIIKBNMYDE-UHFFFAOYSA-N 0 3 258.365 3.437 20 30 CGEDHN CCCCCC[C@H](C)NN=C(C)c1ccc(N)nc1 ZINC000814859606 631657205 /nfs/dbraw/zinc/65/72/05/631657205.db2.gz XIWIEMQIRGELLL-LBPRGKRZSA-N 0 3 262.401 3.336 20 30 CGEDHN C[C@@H]1[C@@H](C)CN1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000816649248 632037017 /nfs/dbraw/zinc/03/70/17/632037017.db2.gz WHCSEAZSBDMZSC-LSDHHAIUSA-N 0 3 294.402 3.304 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000879154190 635716785 /nfs/dbraw/zinc/71/67/85/635716785.db2.gz OATSRJOKCVFAJW-UHFFFAOYSA-N 0 3 292.423 3.081 20 30 CGEDHN C#CCCOc1ccc(CNCc2cc(C)nc(C)c2)cc1 ZINC000817411378 632142762 /nfs/dbraw/zinc/14/27/62/632142762.db2.gz QSMWPCKLBZETEZ-UHFFFAOYSA-N 0 3 294.398 3.390 20 30 CGEDHN C#CCSCCN[C@@H](C)c1ccc(OC)cc1Cl ZINC000818330664 632307395 /nfs/dbraw/zinc/30/73/95/632307395.db2.gz BGXUVDCJPFDZHK-NSHDSACASA-N 0 3 283.824 3.366 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cc(Cl)nc(Cl)c1 ZINC000819830149 632528566 /nfs/dbraw/zinc/52/85/66/632528566.db2.gz AMRWXOMCLKJXPP-QMMMGPOBSA-N 0 3 299.205 3.270 20 30 CGEDHN N#Cc1ccc(CN2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000844271525 635852494 /nfs/dbraw/zinc/85/24/94/635852494.db2.gz PJNPKDALVVANKJ-UHFFFAOYSA-N 0 3 273.336 3.233 20 30 CGEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000822972801 633044070 /nfs/dbraw/zinc/04/40/70/633044070.db2.gz NRCCSMYRPBELFC-CYBMUJFWSA-N 0 3 286.202 3.370 20 30 CGEDHN C[C@H](CCc1cccnc1)NCC1(C#N)CCCCC1 ZINC000866389666 633117236 /nfs/dbraw/zinc/11/72/36/633117236.db2.gz HWRTXEJQYJGGMC-OAHLLOKOSA-N 0 3 271.408 3.466 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000823618188 633127864 /nfs/dbraw/zinc/12/78/64/633127864.db2.gz PGQUMQQYRZGJCN-CJNGLKHVSA-N 0 3 298.386 3.037 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000823618190 633128196 /nfs/dbraw/zinc/12/81/96/633128196.db2.gz PGQUMQQYRZGJCN-XJKSGUPXSA-N 0 3 298.386 3.037 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)cc1OCCC ZINC000876595759 634864461 /nfs/dbraw/zinc/86/44/61/634864461.db2.gz KGPMSFUMGKFKKY-GFCCVEGCSA-N 0 3 296.798 3.192 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)Cc1ccc(F)cc1 ZINC000876596578 634864659 /nfs/dbraw/zinc/86/46/59/634864659.db2.gz BEINBUWVXQLTAC-AWEZNQCLSA-N 0 3 298.789 3.034 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(OC)c(OCC)c2)c1 ZINC000825227677 633337986 /nfs/dbraw/zinc/33/79/86/633337986.db2.gz XQJFJMVCMOKVAO-UHFFFAOYSA-N 0 3 295.382 3.365 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000826861062 633438073 /nfs/dbraw/zinc/43/80/73/633438073.db2.gz AGJXFZMWDYOFGV-HUUCEWRRSA-N 0 3 283.375 3.103 20 30 CGEDHN N#CCC1CN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000826990498 633447437 /nfs/dbraw/zinc/44/74/37/633447437.db2.gz HHFQWLSPMOCDBD-UHFFFAOYSA-N 0 3 278.355 3.405 20 30 CGEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CC1(Cl)Cl ZINC000873140144 634257308 /nfs/dbraw/zinc/25/73/08/634257308.db2.gz KAHHSADWNIZXSB-SNVBAGLBSA-N 0 3 287.165 3.371 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC000876954041 634936616 /nfs/dbraw/zinc/93/66/16/634936616.db2.gz BMTCFRIDRMOLNI-KBPBESRZSA-N 0 3 284.831 3.028 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)Cc1ccccc1F ZINC000876971370 634940920 /nfs/dbraw/zinc/94/09/20/634940920.db2.gz OSQFVLCWIBANQT-AWEZNQCLSA-N 0 3 298.789 3.034 20 30 CGEDHN CCO[C@H](CCNCc1cc(C#N)cnc1Cl)C(C)C ZINC000877083617 634978035 /nfs/dbraw/zinc/97/80/35/634978035.db2.gz OCKRIRPRXZGKMQ-CQSZACIVSA-N 0 3 295.814 3.147 20 30 CGEDHN C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000877454749 635044109 /nfs/dbraw/zinc/04/41/09/635044109.db2.gz DABLSLSEBARJPJ-JKIFEVAISA-N 0 3 293.455 3.119 20 30 CGEDHN C[C@@H](CC1CCC1)NCc1cc(C#N)cnc1Cl ZINC000877700257 635151692 /nfs/dbraw/zinc/15/16/92/635151692.db2.gz KOSWLWGWJAPXJU-JTQLQIEISA-N 0 3 263.772 3.275 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@H](C)C1)c1ccccc1 ZINC000877935551 635279595 /nfs/dbraw/zinc/27/95/95/635279595.db2.gz TYRJGGPRNGFPSN-YJBOKZPZSA-N 0 3 284.403 3.159 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000878541103 635549625 /nfs/dbraw/zinc/54/96/25/635549625.db2.gz KSRGGBVIZYJQBE-PWSUYJOCSA-N 0 3 289.297 3.173 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccnn2-c2ccccc2)C1 ZINC000843424411 635668861 /nfs/dbraw/zinc/66/88/61/635668861.db2.gz ZQYBMBMIYPQIPI-MRXNPFEDSA-N 0 3 279.387 3.108 20 30 CGEDHN C=CCCCCN1CCc2cccc(NC(C)=O)c2C1 ZINC000879238183 635731081 /nfs/dbraw/zinc/73/10/81/635731081.db2.gz OQYGZNPEBISINA-UHFFFAOYSA-N 0 3 272.392 3.359 20 30 CGEDHN C=C(Br)CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000127618718 635741536 /nfs/dbraw/zinc/74/15/36/635741536.db2.gz ZMQBRISEPHVCAQ-STQMWFEESA-N 0 3 266.182 3.288 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844435438 635900212 /nfs/dbraw/zinc/90/02/12/635900212.db2.gz NWBRXXZDWKNOLT-AWEZNQCLSA-N 0 3 262.303 3.179 20 30 CGEDHN C=CCCC[C@@H](NCC1OCCO1)c1ccccc1 ZINC000880389952 635992308 /nfs/dbraw/zinc/99/23/08/635992308.db2.gz LKAMHELRDZUYOE-OAHLLOKOSA-N 0 3 261.365 3.047 20 30 CGEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](CO)c1ccccc1 ZINC000880462139 636004482 /nfs/dbraw/zinc/00/44/82/636004482.db2.gz PIJJBWRSKUUATF-GOSISDBHSA-N 0 3 298.361 3.253 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845732538 636089397 /nfs/dbraw/zinc/08/93/97/636089397.db2.gz QWQUINMMDZRHQJ-CHWSQXEVSA-N 0 3 253.386 3.005 20 30 CGEDHN C[C@H](NCC1(Br)CC1)c1cccc(C#N)c1 ZINC000846844116 636258575 /nfs/dbraw/zinc/25/85/75/636258575.db2.gz LQWDTYFRLDTWKR-JTQLQIEISA-N 0 3 279.181 3.136 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(C(C)C)nc2C)C1 ZINC000847017243 636311117 /nfs/dbraw/zinc/31/11/17/636311117.db2.gz AHDIBCMVIRMNFI-OAHLLOKOSA-N 0 3 256.393 3.359 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000847026558 636317515 /nfs/dbraw/zinc/31/75/15/636317515.db2.gz QAGYSYWKMQPEME-ZDUSSCGKSA-N 0 3 297.354 3.065 20 30 CGEDHN C#C[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000847026504 636317733 /nfs/dbraw/zinc/31/77/33/636317733.db2.gz FJWBDKSPVWWOHZ-QWHCGFSZSA-N 0 3 258.321 3.001 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(=O)oc3cc(CC)ccc23)C1 ZINC000847028389 636317965 /nfs/dbraw/zinc/31/79/65/636317965.db2.gz FTNXAEQYAIGKHG-OAHLLOKOSA-N 0 3 295.382 3.201 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000130770506 636510235 /nfs/dbraw/zinc/51/02/35/636510235.db2.gz BGVLFCDTKKBLLH-UHFFFAOYSA-N 0 3 290.366 3.202 20 30 CGEDHN COc1cccc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848401780 636567634 /nfs/dbraw/zinc/56/76/34/636567634.db2.gz IZBVMQQRTONFMG-INIZCTEOSA-N 0 3 273.380 3.111 20 30 CGEDHN C=CCC[C@H](NCc1cn2cc(C)ccc2n1)[C@@H]1CCCO1 ZINC000883186383 636572201 /nfs/dbraw/zinc/57/22/01/636572201.db2.gz QUADDQIFSXTNCB-IRXDYDNUSA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@@H](NCc1cn2c(cccc2C)n1)[C@@H]1CCCO1 ZINC000883188229 636573651 /nfs/dbraw/zinc/57/36/51/636573651.db2.gz HBEDHXPRZQILPG-SJORKVTESA-N 0 3 299.418 3.246 20 30 CGEDHN C=CC[C@H](CO)N[C@H](CC)c1sccc1Cl ZINC000883215838 636589674 /nfs/dbraw/zinc/58/96/74/636589674.db2.gz GYKYOZBAOPOEKR-MWLCHTKSSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nonc1C ZINC000883244500 636612833 /nfs/dbraw/zinc/61/28/33/636612833.db2.gz OQIVZCLBSZELIU-HNNXBMFYSA-N 0 3 271.364 3.045 20 30 CGEDHN C#CC1(NCc2cnc3ccccc3c2)CCCC1 ZINC000883362677 636704106 /nfs/dbraw/zinc/70/41/06/636704106.db2.gz KZDSNRPNRJHADL-UHFFFAOYSA-N 0 3 250.345 3.270 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](CC)c1ccc(F)cc1F ZINC000883389327 636731585 /nfs/dbraw/zinc/73/15/85/636731585.db2.gz OPOHHRZVXIFFGB-IUODEOHRSA-N 0 3 269.335 3.333 20 30 CGEDHN C#CCOc1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1 ZINC000850386169 637042717 /nfs/dbraw/zinc/04/27/17/637042717.db2.gz GVPLTHFPRPQXNN-IBGZPJMESA-N 0 3 293.366 3.181 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1C[C@@]12CCOC2 ZINC000886028114 637373127 /nfs/dbraw/zinc/37/31/27/637373127.db2.gz MJQDSJYFKGAJSL-AKHDSKFASA-N 0 3 296.414 3.185 20 30 CGEDHN N#CC[C@H]1CCCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000852320736 637634446 /nfs/dbraw/zinc/63/44/46/637634446.db2.gz OGGBAXOMEVPHIV-MNOVXSKESA-N 0 3 261.196 3.196 20 30 CGEDHN C=CCN(C[C@@]1(C)CC1(Cl)Cl)[C@H](C)COC ZINC000852356580 637642195 /nfs/dbraw/zinc/64/21/95/637642195.db2.gz IULZRHHJKZTXDW-GHMZBOCLSA-N 0 3 266.212 3.093 20 30 CGEDHN Cc1cc(CN2CCC[C@H](c3ncccn3)C2)ccc1C#N ZINC000886686593 637651745 /nfs/dbraw/zinc/65/17/45/637651745.db2.gz UJWTVWAIBQUDDC-KRWDZBQOSA-N 0 3 292.386 3.036 20 30 CGEDHN Cc1csc(C[C@@H]2CCCN(CCCC#N)C2)n1 ZINC000886691975 637656003 /nfs/dbraw/zinc/65/60/03/637656003.db2.gz PZODJYGAKDVADI-ZDUSSCGKSA-N 0 3 263.410 3.010 20 30 CGEDHN C=CCN(C[C@@H](O)c1c(F)cccc1F)C(C)(C)C ZINC000852552716 637676979 /nfs/dbraw/zinc/67/69/79/637676979.db2.gz CWPAWKOVTDNRJF-CYBMUJFWSA-N 0 3 269.335 3.285 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000852587628 637683446 /nfs/dbraw/zinc/68/34/46/637683446.db2.gz ZQFOXEAJVUSCAK-NEPJUHHUSA-N 0 3 257.805 3.455 20 30 CGEDHN C#Cc1cccnc1NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000853252340 637795091 /nfs/dbraw/zinc/79/50/91/637795091.db2.gz LWCCHNCZZCNAAD-MRXNPFEDSA-N 0 3 295.386 3.213 20 30 CGEDHN C(=NOCCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000853642397 637879931 /nfs/dbraw/zinc/87/99/31/637879931.db2.gz GORFGBFEPSXJOP-UHFFFAOYSA-N 0 3 288.391 3.064 20 30 CGEDHN C#CCNC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000856787607 638389502 /nfs/dbraw/zinc/38/95/02/638389502.db2.gz PILPINRDJXISHF-UHFFFAOYSA-N 0 3 253.267 3.307 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H](CO)c1ccc(Cl)cc1 ZINC000925293754 638492070 /nfs/dbraw/zinc/49/20/70/638492070.db2.gz DHCXARKDAKJNRO-BXUZGUMPSA-N 0 3 280.799 3.291 20 30 CGEDHN COc1ccc(C)cc1CN[C@H](C)CC(C)(C)C#N ZINC000925305320 638493974 /nfs/dbraw/zinc/49/39/74/638493974.db2.gz NJECTECDHYRJBK-CYBMUJFWSA-N 0 3 260.381 3.422 20 30 CGEDHN C#CCSCCN[C@H](C)c1cc(-c2ccccc2)no1 ZINC000925456168 638505221 /nfs/dbraw/zinc/50/52/21/638505221.db2.gz STVFZNMCFRSYQX-CYBMUJFWSA-N 0 3 286.400 3.359 20 30 CGEDHN C=C(C)CCN[C@@H]1COCc2cccc(Cl)c21 ZINC000926519421 638780724 /nfs/dbraw/zinc/78/07/24/638780724.db2.gz LKQLOUBUTQKKQG-CYBMUJFWSA-N 0 3 251.757 3.467 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000926591087 638788903 /nfs/dbraw/zinc/78/89/03/638788903.db2.gz HQXFYNKFHHACLW-FVQBIDKESA-N 0 3 282.391 3.061 20 30 CGEDHN COC[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000926692245 638799209 /nfs/dbraw/zinc/79/92/09/638799209.db2.gz GMLDFUXKKMVGHW-CJNGLKHVSA-N 0 3 290.407 3.301 20 30 CGEDHN C=CCC[C@H](NCc1nc2c(s1)COCC2)C1CC1 ZINC000927119971 638844806 /nfs/dbraw/zinc/84/48/06/638844806.db2.gz FKNKPCNAVPEQBN-LBPRGKRZSA-N 0 3 278.421 3.050 20 30 CGEDHN COC/C(C)=C\CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000929367391 638921600 /nfs/dbraw/zinc/92/16/00/638921600.db2.gz LBKMPJPWXMAALA-ZROIWOOFSA-N 0 3 270.376 3.115 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@H](CCO)c1ccccc1 ZINC000930192004 638981383 /nfs/dbraw/zinc/98/13/83/638981383.db2.gz UMOHAIZGSDEHGX-LJQANCHMSA-N 0 3 294.398 3.388 20 30 CGEDHN CSCCCN(C)Cc1cc(Cl)cc(C#N)c1 ZINC000930318160 638990685 /nfs/dbraw/zinc/99/06/85/638990685.db2.gz JDTUREHAXBTGCU-UHFFFAOYSA-N 0 3 268.813 3.397 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(-c2ccccc2)o1 ZINC000930646797 639045312 /nfs/dbraw/zinc/04/53/12/639045312.db2.gz QTLHLYKBGLDUEP-CVEARBPZSA-N 0 3 284.359 3.165 20 30 CGEDHN N#CC1(CCCCN2CCOC[C@H]2C2CCC2)CCC1 ZINC000930820430 639072387 /nfs/dbraw/zinc/07/23/87/639072387.db2.gz OYVOBIJSAHVMSX-INIZCTEOSA-N 0 3 276.424 3.351 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN(C)CC1=CCSC1 ZINC000931071371 639106928 /nfs/dbraw/zinc/10/69/28/639106928.db2.gz KWVUXGPXSSENBY-UHFFFAOYSA-N 0 3 272.417 3.280 20 30 CGEDHN CC1(C)[C@H](c2cccc(Cl)c2)CCN1C[C@H](O)CC#N ZINC000931619432 639180997 /nfs/dbraw/zinc/18/09/97/639180997.db2.gz YCIOHVOVGJSKGC-CABCVRRESA-N 0 3 292.810 3.182 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913928 639228539 /nfs/dbraw/zinc/22/85/39/639228539.db2.gz QLMPVLITSRVTLA-ZJUUUORDSA-N 0 3 264.266 3.045 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3cccnc3)CC2)cc1 ZINC000933612696 639469537 /nfs/dbraw/zinc/46/95/37/639469537.db2.gz JZQWKVHHKQXUNX-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN N#CCCCN1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933655552 639476327 /nfs/dbraw/zinc/47/63/27/639476327.db2.gz JRNXTPUMBGZDCQ-KRWDZBQOSA-N 0 3 268.360 3.231 20 30 CGEDHN N#CC(C(=O)CCc1ccc(F)cc1)c1ccccn1 ZINC000041493283 639903976 /nfs/dbraw/zinc/90/39/76/639903976.db2.gz JLBAJSLUHPLORL-AWEZNQCLSA-N 0 3 268.291 3.030 20 30 CGEDHN CCO[C@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000194484459 640533555 /nfs/dbraw/zinc/53/35/55/640533555.db2.gz FTCJYIQDELCUAD-YOEHRIQHSA-N 0 3 280.327 3.036 20 30 CGEDHN CCN(CCC(C)(C)C#N)C[C@H](O)c1ccc(C)cc1 ZINC000305677284 640897356 /nfs/dbraw/zinc/89/73/56/640897356.db2.gz MEUVOXJJBSVTLJ-INIZCTEOSA-N 0 3 274.408 3.290 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015991770 640989913 /nfs/dbraw/zinc/98/99/13/640989913.db2.gz HADWBOMXVYWQCQ-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCCC1 ZINC001018165059 641021118 /nfs/dbraw/zinc/02/11/18/641021118.db2.gz HKLDTKAEJZSNKU-BHYGNILZSA-N 0 3 290.451 3.064 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001156373963 805678740 /nfs/dbraw/zinc/67/87/40/805678740.db2.gz HCVSTIUUPLMJDY-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCc1nc2cc(N3CCOCC3)cc(C)c2[nH]1 ZINC001250602043 805718387 /nfs/dbraw/zinc/71/83/87/805718387.db2.gz DFGCVXLEMDISJY-UHFFFAOYSA-N 0 3 285.391 3.217 20 30 CGEDHN C=CCCCc1nc2c(cc(N3CCOCC3)cc2C)[nH]1 ZINC001250602043 805718389 /nfs/dbraw/zinc/71/83/89/805718389.db2.gz DFGCVXLEMDISJY-UHFFFAOYSA-N 0 3 285.391 3.217 20 30 CGEDHN CC(C)N1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C ZINC001158495280 805960591 /nfs/dbraw/zinc/96/05/91/805960591.db2.gz KGCFAMXRBFEQAC-AWEZNQCLSA-N 0 3 294.402 3.025 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1(F)CCCCC1 ZINC001158704714 805986591 /nfs/dbraw/zinc/98/65/91/805986591.db2.gz SVZXLJJASDBTPV-OAHLLOKOSA-N 0 3 296.430 3.158 20 30 CGEDHN CCCCCCCC[C@@H](O)CNc1ccnc(CO)c1 ZINC001252123147 806010309 /nfs/dbraw/zinc/01/03/09/806010309.db2.gz DINJZAWNYHRPNB-MRXNPFEDSA-N 0 3 280.412 3.097 20 30 CGEDHN C=C[C@@](C)(O)CN(C)[C@@H](C)c1ccccc1Cl ZINC001252559151 806067014 /nfs/dbraw/zinc/06/70/14/806067014.db2.gz RNHSVLPMEJLABJ-SMDDNHRTSA-N 0 3 253.773 3.270 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc(F)c1Cl ZINC001252624565 806095103 /nfs/dbraw/zinc/09/51/03/806095103.db2.gz INWIVLCBSFEKIP-GHMZBOCLSA-N 0 3 271.763 3.457 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCc1cncnc1 ZINC001252986231 806146709 /nfs/dbraw/zinc/14/67/09/806146709.db2.gz KLLBWGCTPTWSCM-KRWDZBQOSA-N 0 3 293.455 3.458 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC(C)(C)C2CC2)CC1 ZINC001160036863 806217938 /nfs/dbraw/zinc/21/79/38/806217938.db2.gz XLGUVWVWQLCYND-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)Nc1cccc(N)n1 ZINC001160181238 806232881 /nfs/dbraw/zinc/23/28/81/806232881.db2.gz MZEYXMMZDPSBOX-GFCCVEGCSA-N 0 3 269.348 3.402 20 30 CGEDHN Cc1cc(C)nc(NCCOc2ccc(C#N)cc2)c1 ZINC001160281036 806249112 /nfs/dbraw/zinc/24/91/12/806249112.db2.gz DISNSMVDZQURCK-UHFFFAOYSA-N 0 3 267.332 3.061 20 30 CGEDHN C=C[C@@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC001253600098 806270075 /nfs/dbraw/zinc/27/00/75/806270075.db2.gz XJUVRLUGCAHRBA-WCBMZHEXSA-N 0 3 260.164 3.191 20 30 CGEDHN COc1ccccc1C(C)(C)N[C@H]1CC[C@H](C#N)C1 ZINC001254649765 806472888 /nfs/dbraw/zinc/47/28/88/806472888.db2.gz QOUGXLGTQQVDAQ-STQMWFEESA-N 0 3 258.365 3.212 20 30 CGEDHN COc1c(F)cccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC001254654610 806475645 /nfs/dbraw/zinc/47/56/45/806475645.db2.gz WJODINXPQBOREX-SDDRHHMPSA-N 0 3 262.328 3.177 20 30 CGEDHN C[C@@H]1CCCCN1Cc1ccc(NC2(C#N)CCC2)nc1 ZINC001162310760 806552667 /nfs/dbraw/zinc/55/26/67/806552667.db2.gz QXZGOSQWCANGJR-CQSZACIVSA-N 0 3 284.407 3.314 20 30 CGEDHN CC[C@H](CC#N)NCCCCCCCCCCO ZINC001255157927 806558310 /nfs/dbraw/zinc/55/83/10/806558310.db2.gz ZADSGFVGHPPEHX-OAHLLOKOSA-N 0 3 254.418 3.381 20 30 CGEDHN C=CCOCc1nn(C)c2c1CN([C@H](C)CCCC)CC2 ZINC001255326583 806613240 /nfs/dbraw/zinc/61/32/40/806613240.db2.gz RRZHORBOKPCLJT-CQSZACIVSA-N 0 3 291.439 3.060 20 30 CGEDHN C[C@H](N)c1nc2ccccc2n1-c1cc(C#N)ccc1F ZINC001162767646 806662341 /nfs/dbraw/zinc/66/23/41/806662341.db2.gz ZNTFBOGWSOAVHX-JTQLQIEISA-N 0 3 280.306 3.056 20 30 CGEDHN CN(C)[C@H](C/N=C/c1ccccc1O)c1ccc(F)cc1 ZINC000126915927 799010580 /nfs/dbraw/zinc/01/05/80/799010580.db2.gz YLDGQAFSOGCQOQ-YDDPGSGASA-N 0 3 286.350 3.253 20 30 CGEDHN C#C[C@](C)(CC)NCc1ccc(Br)s1 ZINC000395158446 799503523 /nfs/dbraw/zinc/50/35/23/799503523.db2.gz RTIDKWDTRPWYPM-LLVKDONJSA-N 0 3 272.211 3.402 20 30 CGEDHN Cc1cc(C)c(CN[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000397113706 799513785 /nfs/dbraw/zinc/51/37/85/799513785.db2.gz UVOJCYMBBOIGCJ-OAHLLOKOSA-N 0 3 295.386 3.452 20 30 CGEDHN C#C[C@H](NCc1ccc(OC)c(OCC)c1)C(C)(C)C ZINC000702249864 799906865 /nfs/dbraw/zinc/90/68/65/799906865.db2.gz CMMRTSQJBMRFTB-INIZCTEOSA-N 0 3 275.392 3.231 20 30 CGEDHN CCCCCCCCNCc1nc(CO)cs1 ZINC000723169739 800327747 /nfs/dbraw/zinc/32/77/47/800327747.db2.gz CPLBZONGHVKPII-UHFFFAOYSA-N 0 3 256.415 3.086 20 30 CGEDHN Cc1ccncc1CCCN(CCC#N)CC(C)C ZINC000809538920 800443718 /nfs/dbraw/zinc/44/37/18/800443718.db2.gz WFEUOHDJWLFYTM-UHFFFAOYSA-N 0 3 259.397 3.194 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000932387678 800664226 /nfs/dbraw/zinc/66/42/26/800664226.db2.gz IGCFJKLGYBHJAI-AWEZNQCLSA-N 0 3 285.309 3.082 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024548613 800730066 /nfs/dbraw/zinc/73/00/66/800730066.db2.gz BEVIMMBVKNGQEI-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024514144 800730125 /nfs/dbraw/zinc/73/01/25/800730125.db2.gz WCXIEJXZAIVNJC-PQUAAJSLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001028115124 800831996 /nfs/dbraw/zinc/83/19/96/800831996.db2.gz XMRBMTJYBSSVSU-AWEZNQCLSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccccc1 ZINC001032766721 800936820 /nfs/dbraw/zinc/93/68/20/800936820.db2.gz NQOYNPFBVFOTME-NJAFHUGGSA-N 0 3 298.430 3.041 20 30 CGEDHN C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(CC(=C)C)C2)cc1 ZINC001033443571 800964360 /nfs/dbraw/zinc/96/43/60/800964360.db2.gz PXTZVTDLBMTRJE-QGZVFWFLSA-N 0 3 284.403 3.052 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001034082179 801003321 /nfs/dbraw/zinc/00/33/21/801003321.db2.gz DDWAKXDVZFJKMS-QGZVFWFLSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001034205298 801011886 /nfs/dbraw/zinc/01/18/86/801011886.db2.gz VGHYPGOJDGHCCA-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034421333 801027211 /nfs/dbraw/zinc/02/72/11/801027211.db2.gz XZBAMXPLWRGFGL-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034547413 801033652 /nfs/dbraw/zinc/03/36/52/801033652.db2.gz QKCRJNZWAGCLSL-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039076553 801146364 /nfs/dbraw/zinc/14/63/64/801146364.db2.gz CGNHMUQQWLGLKH-GPANFISMSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(C)c3C)C[C@@H]21 ZINC001042339473 801204597 /nfs/dbraw/zinc/20/45/97/801204597.db2.gz XCZSNYPOBDIIBC-AEFFLSMTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@@H]21 ZINC001042339993 801205011 /nfs/dbraw/zinc/20/50/11/801205011.db2.gz DADUWXQEXLYVPS-AEFFLSMTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CC)CCCC3)C[C@H]21 ZINC001042292796 801205292 /nfs/dbraw/zinc/20/52/92/801205292.db2.gz XLMSIHFUCQZOPG-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@H]21 ZINC001042344134 801205357 /nfs/dbraw/zinc/20/53/57/801205357.db2.gz SYSIINDOCUIGNI-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cccc(C)c2C)CC1 ZINC001045634723 801283523 /nfs/dbraw/zinc/28/35/23/801283523.db2.gz UXUZKYBTFHKZAB-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001046362385 801309199 /nfs/dbraw/zinc/30/91/99/801309199.db2.gz QLLSGICZZIETHQ-LJQANCHMSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)c(C)c1 ZINC001049872307 801392018 /nfs/dbraw/zinc/39/20/18/801392018.db2.gz RCXCWULJMSJACY-QZTJIDSGSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071315459 801526985 /nfs/dbraw/zinc/52/69/85/801526985.db2.gz XWQHGPLTDKFAKM-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071420979 801535677 /nfs/dbraw/zinc/53/56/77/801535677.db2.gz WIDHWXVEUUMBCH-BBRMVZONSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC(=C)CC2)CC[C@H]1C ZINC001071794802 801551604 /nfs/dbraw/zinc/55/16/04/801551604.db2.gz FQUAPNDKZLFPOC-WBVHZDCISA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)cc2)CC[C@H]1C ZINC001072011736 801558728 /nfs/dbraw/zinc/55/87/28/801558728.db2.gz BVNUTCFOELYXNF-NVXWUHKLSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)C=CCC1 ZINC001085300807 801681110 /nfs/dbraw/zinc/68/11/10/801681110.db2.gz IKTWWLVKWPHTKR-FMKPAKJESA-N 0 3 296.842 3.112 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001089606088 801846884 /nfs/dbraw/zinc/84/68/84/801846884.db2.gz VPFAETBFGNTJAX-HOTGVXAUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NCCCNCC=C(Cl)Cl ZINC001164360216 806940313 /nfs/dbraw/zinc/94/03/13/806940313.db2.gz GWRVUGOTQVKYHD-NSHDSACASA-N 0 3 293.238 3.004 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCCC1)C2 ZINC001095961399 801887577 /nfs/dbraw/zinc/88/75/77/801887577.db2.gz GXBLXXOCHZOLAR-PMPSAXMXSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001098983963 801924972 /nfs/dbraw/zinc/92/49/72/801924972.db2.gz UJRVAURYSRZBDH-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001099121678 801927530 /nfs/dbraw/zinc/92/75/30/801927530.db2.gz MXDJHFPFVASCON-HUUCEWRRSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC(=C)C ZINC001099189306 801931844 /nfs/dbraw/zinc/93/18/44/801931844.db2.gz QBOGCJULPKGKCA-JKSUJKDBSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C1CC1)C2 ZINC001109239997 802112765 /nfs/dbraw/zinc/11/27/65/802112765.db2.gz OYXGGSAZHLZDQU-PMPSAXMXSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109632959 802120517 /nfs/dbraw/zinc/12/05/17/802120517.db2.gz JKEZHGZQIOLZSO-YVSFHVDLSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2CC2(C)C)CC1 ZINC001266386403 808254864 /nfs/dbraw/zinc/25/48/64/808254864.db2.gz DOIIXBHPCIKQRI-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN CC(C)OCC[C@H](C)N(CCC#N)C1CCCC1 ZINC001172448869 808320686 /nfs/dbraw/zinc/32/06/86/808320686.db2.gz DCEJEYLAYMAOSU-AWEZNQCLSA-N 0 3 252.402 3.348 20 30 CGEDHN N#CCC1(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001119252363 802638900 /nfs/dbraw/zinc/63/89/00/802638900.db2.gz BZXMJZBLOQPBOI-AWEZNQCLSA-N 0 3 294.402 3.436 20 30 CGEDHN CCCC[C@@](C)(F)C(=O)C(C#N)c1ncc(Cl)n1C ZINC001123232541 802919311 /nfs/dbraw/zinc/91/93/11/802919311.db2.gz ACOYILQGOTZJMB-TVQRCGJNSA-N 0 3 285.750 3.168 20 30 CGEDHN C=CCCCCCCN1CCC[C@]1(C)C(=O)OC ZINC001209430902 814031079 /nfs/dbraw/zinc/03/10/79/814031079.db2.gz DKPXMJZBTNSAHQ-OAHLLOKOSA-N 0 3 253.386 3.150 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132219069 803380563 /nfs/dbraw/zinc/38/05/63/803380563.db2.gz ZNQRNNNSKMOXGO-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132273357 803390956 /nfs/dbraw/zinc/39/09/56/803390956.db2.gz FKXZKHKBFKGYJY-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001134428700 803537725 /nfs/dbraw/zinc/53/77/25/803537725.db2.gz YAFYFGUKHSNUBV-CYBMUJFWSA-N 0 3 292.398 3.195 20 30 CGEDHN C=CCN(Cc1ncc(C(F)(F)F)[nH]1)C(C)(C)C ZINC001137018917 803672421 /nfs/dbraw/zinc/67/24/21/803672421.db2.gz KGOVQAMGBKYDFR-UHFFFAOYSA-N 0 3 261.291 3.215 20 30 CGEDHN COc1ccc(CN2CCCC[C@H](C)C2)c(C#N)c1 ZINC001137698497 803759840 /nfs/dbraw/zinc/75/98/40/803759840.db2.gz ZKPKJNQTUBUMAZ-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN O=C1C=C2CN(Cc3cccc(Cl)c3F)CCC2S1 ZINC001137958541 803806648 /nfs/dbraw/zinc/80/66/48/803806648.db2.gz JNACQWJQWSJEOM-GFCCVEGCSA-N 0 3 297.782 3.253 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccccc2N2CCCC2)C1 ZINC001138611431 803977768 /nfs/dbraw/zinc/97/77/68/803977768.db2.gz OMZPTHKVAMHPEH-MRXNPFEDSA-N 0 3 283.419 3.412 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC001138624282 803982454 /nfs/dbraw/zinc/98/24/54/803982454.db2.gz AYTHTAUTDYNEJQ-NVXWUHKLSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC001138624282 803982466 /nfs/dbraw/zinc/98/24/66/803982466.db2.gz AYTHTAUTDYNEJQ-NVXWUHKLSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+](CCO)Cc2ccccc2)c1[O-] ZINC001138623947 803983684 /nfs/dbraw/zinc/98/36/84/803983684.db2.gz LDDYPOCRXUDSCT-UHFFFAOYSA-N 0 3 297.398 3.115 20 30 CGEDHN C=CCc1cccc(C[N@@H+](CCO)Cc2ccccc2)c1[O-] ZINC001138623947 803983690 /nfs/dbraw/zinc/98/36/90/803983690.db2.gz LDDYPOCRXUDSCT-UHFFFAOYSA-N 0 3 297.398 3.115 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCCC2(COC2)C1 ZINC001138662522 803996081 /nfs/dbraw/zinc/99/60/81/803996081.db2.gz ZZEKFJQQUJJIEK-UHFFFAOYSA-N 0 3 287.403 3.254 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@@H](C(C)=O)C1 ZINC001138666414 803998641 /nfs/dbraw/zinc/99/86/41/803998641.db2.gz RNATYKSHQKTHEX-OAHLLOKOSA-N 0 3 273.376 3.052 20 30 CGEDHN C=CCOc1ccccc1CN1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001139030237 804113579 /nfs/dbraw/zinc/11/35/79/804113579.db2.gz BAZDBMJDOMWEES-GDBMZVCRSA-N 0 3 285.387 3.052 20 30 CGEDHN N#Cc1ccc(Oc2ccc(CN3CCCC3)cn2)cc1 ZINC001139423912 804188885 /nfs/dbraw/zinc/18/88/85/804188885.db2.gz LAWHGEULJLTDJF-UHFFFAOYSA-N 0 3 279.343 3.341 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@@H](C(F)(F)F)C3)c[nH]c21 ZINC001139702846 804258471 /nfs/dbraw/zinc/25/84/71/804258471.db2.gz BJIHBMPSVUSKQQ-GFCCVEGCSA-N 0 3 293.292 3.424 20 30 CGEDHN CCCCCN1CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC001139874635 804305065 /nfs/dbraw/zinc/30/50/65/804305065.db2.gz GETCSLMAVUVALT-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1O ZINC001140575830 804463756 /nfs/dbraw/zinc/46/37/56/804463756.db2.gz ZXADIMAQZPSZSM-UHFFFAOYSA-N 0 3 266.344 3.204 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@]1(C)O ZINC001140599776 804471201 /nfs/dbraw/zinc/47/12/01/804471201.db2.gz QLTNWFAHMVQEHP-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)ccc1Cl ZINC001141232860 804618035 /nfs/dbraw/zinc/61/80/35/804618035.db2.gz LYPJJXKIBWPHIV-CQSZACIVSA-N 0 3 293.819 3.423 20 30 CGEDHN CSc1ccc(CN2CCC3SC(=O)C=C3C2)s1 ZINC001142020179 804689246 /nfs/dbraw/zinc/68/92/46/804689246.db2.gz AIRABZPHJCDYNB-LLVKDONJSA-N 0 3 297.470 3.244 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921088 804783121 /nfs/dbraw/zinc/78/31/21/804783121.db2.gz GJIFWTKWKUQMGI-UHFFFAOYSA-N 0 3 251.333 3.214 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3ccncc3)C2)cc1 ZINC001144581288 805011578 /nfs/dbraw/zinc/01/15/78/805011578.db2.gz OODBURNJVSXZGG-LJQANCHMSA-N 0 3 292.382 3.106 20 30 CGEDHN C#CC1CCN(Cc2ccc3scnc3c2)CC1 ZINC001144743602 805049128 /nfs/dbraw/zinc/04/91/28/805049128.db2.gz RWBFYJAEYCQBQX-UHFFFAOYSA-N 0 3 256.374 3.142 20 30 CGEDHN CN(CCc1ccccn1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426358 805147113 /nfs/dbraw/zinc/14/71/13/805147113.db2.gz NECPIYOMVUCWQM-UHFFFAOYSA-N 0 3 290.370 3.109 20 30 CGEDHN CCCCCCCNC(=S)N(CC)C1CCN(C)CC1 ZINC001249636492 805196358 /nfs/dbraw/zinc/19/63/58/805196358.db2.gz UAYYHJRLEQEPMV-UHFFFAOYSA-N 0 3 299.528 3.247 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H]3CCC[C@H]3C2)c1F ZINC001249681575 805209503 /nfs/dbraw/zinc/20/95/03/805209503.db2.gz WWESHDYZPNJFIU-OCCSQVGLSA-N 0 3 258.340 3.319 20 30 CGEDHN CC#CCNCCNC(=O)[C@H](C)CCCCCCCC ZINC001151848814 805317026 /nfs/dbraw/zinc/31/70/26/805317026.db2.gz SDUMCVXRHCLEEM-MRXNPFEDSA-N 0 3 280.456 3.102 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(C)cc2OCC)C1 ZINC001250179874 805466673 /nfs/dbraw/zinc/46/66/73/805466673.db2.gz JGQFIUIXKZRGAP-HNNXBMFYSA-N 0 3 257.377 3.239 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(CCC)CCC ZINC001154888881 805504278 /nfs/dbraw/zinc/50/42/78/805504278.db2.gz YROFYBHJDOLWKD-OAHLLOKOSA-N 0 3 280.456 3.053 20 30 CGEDHN CCOC(=O)C1(C#N)CCN(C2CCC(CC)CC2)CC1 ZINC001256874850 806997006 /nfs/dbraw/zinc/99/70/06/806997006.db2.gz JYTIJHDJQXTAED-UHFFFAOYSA-N 0 3 292.423 3.124 20 30 CGEDHN N#CCCNC1CCC(c2ccc(C#N)cc2)CC1 ZINC001257008443 807024835 /nfs/dbraw/zinc/02/48/35/807024835.db2.gz LNRZFJLYQHIRBO-UHFFFAOYSA-N 0 3 253.349 3.088 20 30 CGEDHN C[C@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)CCO1 ZINC001257016751 807027673 /nfs/dbraw/zinc/02/76/73/807027673.db2.gz IECHMUNNDLYJJL-NNGSBXSVSA-N 0 3 284.403 3.305 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1C#N ZINC001167101348 807150356 /nfs/dbraw/zinc/15/03/56/807150356.db2.gz VVLDSQFFDXEXAF-MRXNPFEDSA-N 0 3 292.386 3.036 20 30 CGEDHN C=C1C[C@@H]2CC(N3CC(N4CCC(F)(F)C4)C3)C[C@H](C1)C2 ZINC001257894873 807244428 /nfs/dbraw/zinc/24/44/28/807244428.db2.gz BCHQRAYEDMPSHE-YIONKMFJSA-N 0 3 296.405 3.147 20 30 CGEDHN CCCCCCCCC[C@H](C)N1CCCNC(=O)C1 ZINC001258229991 807378083 /nfs/dbraw/zinc/37/80/83/807378083.db2.gz WWNGREJSQYLNAC-HNNXBMFYSA-N 0 3 268.445 3.338 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)NC(=N)c1ccc(Cl)cn1 ZINC001168460154 807423463 /nfs/dbraw/zinc/42/34/63/807423463.db2.gz QHBHPFQPSIRTQD-SNVBAGLBSA-N 0 3 291.757 3.211 20 30 CGEDHN C=CCC[C@@H](C)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001258735265 807580529 /nfs/dbraw/zinc/58/05/29/807580529.db2.gz SHGYTNMREXGOGH-SNVBAGLBSA-N 0 3 263.303 3.185 20 30 CGEDHN CC(C)[C@@H](C#N)c1ccc(-n2ccc([C@H](C)N)n2)cc1 ZINC001169232380 807609773 /nfs/dbraw/zinc/60/97/73/807609773.db2.gz DVQQMPNVGHPILP-SWLSCSKDSA-N 0 3 268.364 3.155 20 30 CGEDHN C=CC[C@H](C)N1CCN([C@H](C)c2ccsc2)CC1 ZINC001169540952 807660741 /nfs/dbraw/zinc/66/07/41/807660741.db2.gz TUXOROGDXFQPOF-UONOGXRCSA-N 0 3 264.438 3.391 20 30 CGEDHN CN(Cc1cc2ccccc2[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC001261237207 807718499 /nfs/dbraw/zinc/71/84/99/807718499.db2.gz KVMDOJDZDGEUSF-DOMZBBRYSA-N 0 3 253.349 3.292 20 30 CGEDHN CN1CCCC[C@H]1c1ccc(NCC(C)(C)S)nc1 ZINC001170305333 807823352 /nfs/dbraw/zinc/82/33/52/807823352.db2.gz WSFSRRWPXICLMD-ZDUSSCGKSA-N 0 3 279.453 3.359 20 30 CGEDHN C[C@H](N)c1ccn(C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001170369677 807831333 /nfs/dbraw/zinc/83/13/33/807831333.db2.gz YYFKKAJVMJYGQV-NXVRBGIVSA-N 0 3 294.402 3.479 20 30 CGEDHN C[C@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC001170376584 807831719 /nfs/dbraw/zinc/83/17/19/807831719.db2.gz QUURNJROUPSCAE-XYCLOBBJSA-N 0 3 298.430 3.500 20 30 CGEDHN COc1ccc([C@H](NCc2cncc(C#N)c2)C(C)C)cc1 ZINC001262237678 807839508 /nfs/dbraw/zinc/83/95/08/807839508.db2.gz GEUPISDIQXJUPG-GOSISDBHSA-N 0 3 295.386 3.449 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCOc1ccccc1 ZINC001171191798 808005649 /nfs/dbraw/zinc/00/56/49/808005649.db2.gz FOCCRLVBVKQMFL-AWEZNQCLSA-N 0 3 266.344 3.115 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCC(=O)c1cccc(F)c1 ZINC001171197753 808008205 /nfs/dbraw/zinc/00/82/05/808008205.db2.gz BYRCTSJTEHIPOJ-ZDUSSCGKSA-N 0 3 296.345 3.101 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(C)C ZINC001264376435 808062779 /nfs/dbraw/zinc/06/27/79/808062779.db2.gz JBQZHHULBBZCGR-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)[C@H]1C ZINC001264709514 808087808 /nfs/dbraw/zinc/08/78/08/808087808.db2.gz XPGXLQOEFSNICV-LZWOXQAQSA-N 0 3 280.456 3.214 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)C[C@@H](C)CCC)CC(C)(C)C1 ZINC001264749553 808091033 /nfs/dbraw/zinc/09/10/33/808091033.db2.gz FYZFYGDLQNLUPM-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN CCN1[C@H](C)CN(Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC001171648558 808112849 /nfs/dbraw/zinc/11/28/49/808112849.db2.gz RGFFHKVEKDMNTQ-BETUJISGSA-N 0 3 291.826 3.126 20 30 CGEDHN CC(C)n1cnc(CN[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172299286 808219756 /nfs/dbraw/zinc/21/97/56/808219756.db2.gz JHKREGLHMLYSIL-AWEZNQCLSA-N 0 3 282.391 3.056 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@H]1c1ncccn1 ZINC001172317061 808226785 /nfs/dbraw/zinc/22/67/85/808226785.db2.gz PFPWSIDSYZCFTC-PBHICJAKSA-N 0 3 292.386 3.116 20 30 CGEDHN CC[C@@H](C)OCC[C@@H](C)NCc1ccccc1C#N ZINC001172320359 808229781 /nfs/dbraw/zinc/22/97/81/808229781.db2.gz XIYQCEQMXLAVRW-ZIAGYGMSSA-N 0 3 260.381 3.242 20 30 CGEDHN CCCCCCC[C@H](CC)N1CCN(C(C)=O)CC1 ZINC001172358595 808254294 /nfs/dbraw/zinc/25/42/94/808254294.db2.gz QSOJBCDNYQGZBK-INIZCTEOSA-N 0 3 268.445 3.290 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CCOC[C@H]1COC ZINC001172362370 808256792 /nfs/dbraw/zinc/25/67/92/808256792.db2.gz WQOXOUDZMQGHAC-HZPDHXFCSA-N 0 3 271.445 3.473 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001266491194 808276054 /nfs/dbraw/zinc/27/60/54/808276054.db2.gz GVXWIDKJSZYRPY-JONQDZQNSA-N 0 3 296.430 3.010 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCCCN1CC(=C)C ZINC001266853541 808322972 /nfs/dbraw/zinc/32/29/72/808322972.db2.gz NPXDNUCWUZWSLK-HZPDHXFCSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H]1CCCCN1CC=C(C)C ZINC001266842716 808322997 /nfs/dbraw/zinc/32/29/97/808322997.db2.gz SVFTUZXNFDNZOE-MRXNPFEDSA-N 0 3 278.440 3.280 20 30 CGEDHN CC(C)COCC[C@@H](C)NC1(CC#N)CCCC1 ZINC001172469880 808337643 /nfs/dbraw/zinc/33/76/43/808337643.db2.gz VTMFVUYTPBWQIA-CQSZACIVSA-N 0 3 252.402 3.254 20 30 CGEDHN CCCCCCCC[C@@H](CC)N1CCO[C@H](CO)C1 ZINC001172506008 808362849 /nfs/dbraw/zinc/36/28/49/808362849.db2.gz ZBQMNFFTCUUJGU-CVEARBPZSA-N 0 3 271.445 3.209 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1cccc(F)c1)c1ccccc1 ZINC001267345194 808418622 /nfs/dbraw/zinc/41/86/22/808418622.db2.gz CEZIRQKELPQYRM-QGZVFWFLSA-N 0 3 298.361 3.072 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC001267522426 808439061 /nfs/dbraw/zinc/43/90/61/808439061.db2.gz GDXKEOYARKFZEU-RDJZCZTQSA-N 0 3 288.435 3.302 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CCC)[C@@H]1CCN(CC(=C)C)C1 ZINC001267542451 808443097 /nfs/dbraw/zinc/44/30/97/808443097.db2.gz WYXLKKBIVZXPCP-MRXNPFEDSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001267609993 808457047 /nfs/dbraw/zinc/45/70/47/808457047.db2.gz IBSSPVCPEFMYMZ-QGZVFWFLSA-N 0 3 286.419 3.042 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904119 808476592 /nfs/dbraw/zinc/47/65/92/808476592.db2.gz LWBYIZPPAVXTHJ-HUUCEWRRSA-N 0 3 287.363 3.124 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@H]1CC=CCC1)C(C)C ZINC001268220887 808561252 /nfs/dbraw/zinc/56/12/52/808561252.db2.gz VDJQUBYCVVJQOZ-LSDHHAIUSA-N 0 3 298.858 3.216 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC001268356932 808579731 /nfs/dbraw/zinc/57/97/31/808579731.db2.gz DIYINOPXLQVHQU-LLVKDONJSA-N 0 3 288.794 3.021 20 30 CGEDHN C=CCOC1CCC(NCC(=O)c2ccc(F)cc2)CC1 ZINC001173312079 808606329 /nfs/dbraw/zinc/60/63/29/808606329.db2.gz ADUMUCFHIOVTCX-UHFFFAOYSA-N 0 3 291.366 3.112 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC ZINC001268922904 808637108 /nfs/dbraw/zinc/63/71/08/808637108.db2.gz XZPQIMDZNMFCOX-PMPSAXMXSA-N 0 3 280.456 3.288 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](NC1CCC(C)(C#N)CC1)C(=O)N2 ZINC001173586546 808647428 /nfs/dbraw/zinc/64/74/28/808647428.db2.gz AUAJKGLRHSHTKT-YAJUMTOWSA-N 0 3 283.375 3.050 20 30 CGEDHN COc1cc(C#N)cc(Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001213076204 815225213 /nfs/dbraw/zinc/22/52/13/815225213.db2.gz LBAXXMBKRMKTFK-UHFFFAOYSA-N 0 3 278.315 3.495 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001269189121 808653418 /nfs/dbraw/zinc/65/34/18/808653418.db2.gz OMTYUOLNSOKKKS-GXTWGEPZSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001269293337 808666119 /nfs/dbraw/zinc/66/61/19/808666119.db2.gz WXDKNSMQYPADAK-KGLIPLIRSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001270261747 808724348 /nfs/dbraw/zinc/72/43/48/808724348.db2.gz VBFDYZCKUGQINY-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)c(C#N)c1 ZINC001173930901 808769793 /nfs/dbraw/zinc/76/97/93/808769793.db2.gz BFBSHMOYYVZGNP-UHFFFAOYSA-N 0 3 276.343 3.235 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001272097445 808797234 /nfs/dbraw/zinc/79/72/34/808797234.db2.gz AGWKEMBZEDXERJ-CYBMUJFWSA-N 0 3 294.826 3.020 20 30 CGEDHN C=CCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC=C ZINC001273814770 808861316 /nfs/dbraw/zinc/86/13/16/808861316.db2.gz RSYABLQIVZPFCB-GOSISDBHSA-N 0 3 298.430 3.072 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)CCCCC)C[C@@H]1C ZINC001274663029 808880827 /nfs/dbraw/zinc/88/08/27/808880827.db2.gz QUJRNGKPMNWOBA-HOTGVXAUSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CC1(C)CCCCC1 ZINC001275121539 808912032 /nfs/dbraw/zinc/91/20/32/808912032.db2.gz OQCSXZSKNOMXJD-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN1CCCC1CCC1 ZINC001276931969 809047237 /nfs/dbraw/zinc/04/72/37/809047237.db2.gz OVUYRONCZXHGAH-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN CCCCCCCN1CC[C@H]2C[C@]21C(=O)NC(C)(C)C ZINC001277224827 809064134 /nfs/dbraw/zinc/06/41/34/809064134.db2.gz NXDYPVHBGJLWJZ-WMLDXEAASA-N 0 3 280.456 3.336 20 30 CGEDHN C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC ZINC001277441326 809075669 /nfs/dbraw/zinc/07/56/69/809075669.db2.gz MZUQEQCXOUOOOF-IYBDPMFKSA-N 0 3 278.440 3.208 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1(C2CCCCC2)CC1 ZINC001174691926 809131903 /nfs/dbraw/zinc/13/19/03/809131903.db2.gz NSUBBCUFAYGSFY-UHFFFAOYSA-N 0 3 298.858 3.195 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001278515696 809138845 /nfs/dbraw/zinc/13/88/45/809138845.db2.gz KSDNYGQFPIXIGP-JKSUJKDBSA-N 0 3 278.440 3.278 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C/C=C(\C)C=C)cc1 ZINC001280354340 809186157 /nfs/dbraw/zinc/18/61/57/809186157.db2.gz NOIKQRULYFWPPN-UBYXTUIOSA-N 0 3 296.414 3.109 20 30 CGEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C[C@@H]1C ZINC001281684737 809217655 /nfs/dbraw/zinc/21/76/55/809217655.db2.gz KFPDUSHCWOAAGC-JKSUJKDBSA-N 0 3 292.467 3.051 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1c(C)oc(C)c1C)C(C)C ZINC001284543407 809308751 /nfs/dbraw/zinc/30/87/51/809308751.db2.gz GTMBHDGYDJBJAH-UHFFFAOYSA-N 0 3 292.423 3.173 20 30 CGEDHN N#Cc1ncccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175504774 809432946 /nfs/dbraw/zinc/43/29/46/809432946.db2.gz DICGQZXVJLRPFG-UHFFFAOYSA-N 0 3 290.370 3.155 20 30 CGEDHN CN1CCC=C(Nc2ccc(C#N)c3ccccc23)C1 ZINC001175575863 809458213 /nfs/dbraw/zinc/45/82/13/809458213.db2.gz BEEQRIDTOIGNCV-UHFFFAOYSA-N 0 3 263.344 3.343 20 30 CGEDHN C=CC(C)(C)CCCNCc1cn(-c2ccccc2)nn1 ZINC001179516316 809927380 /nfs/dbraw/zinc/92/73/80/809927380.db2.gz XFVQSJZECGANBH-UHFFFAOYSA-N 0 3 284.407 3.349 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC001182796623 810125206 /nfs/dbraw/zinc/12/52/06/810125206.db2.gz XDEIRENHJFBLTJ-CQSZACIVSA-N 0 3 290.407 3.288 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001182894479 810129693 /nfs/dbraw/zinc/12/96/93/810129693.db2.gz YEEDLYLCMDRIHV-CQSZACIVSA-N 0 3 292.448 3.041 20 30 CGEDHN C#CCCCCCCN1CCc2ccnc(N(C)C)c2C1 ZINC001184364438 810195793 /nfs/dbraw/zinc/19/57/93/810195793.db2.gz SNHSTBHGWRLQTB-UHFFFAOYSA-N 0 3 285.435 3.089 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190371950 810624151 /nfs/dbraw/zinc/62/41/51/810624151.db2.gz XFDYBSGTFIBENI-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](F)CCCCCC)C1 ZINC001193479261 810894517 /nfs/dbraw/zinc/89/45/17/810894517.db2.gz UHLRVVKSKAMDNA-LSDHHAIUSA-N 0 3 284.419 3.014 20 30 CGEDHN CCCCCCCN1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194628855 811099146 /nfs/dbraw/zinc/09/91/46/811099146.db2.gz CJGKDVKQYQFNAI-UHFFFAOYSA-N 0 3 286.435 3.239 20 30 CGEDHN C=C(C)CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001196009573 811309181 /nfs/dbraw/zinc/30/91/81/811309181.db2.gz ASVAOVUUSZEDCB-UHFFFAOYSA-N 0 3 286.419 3.077 20 30 CGEDHN C=CC[C@H](C)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001196134993 811320866 /nfs/dbraw/zinc/32/08/66/811320866.db2.gz UOYAPNULAVRBDT-KBXCAEBGSA-N 0 3 285.387 3.451 20 30 CGEDHN C=CC[C@@H](C)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001196134994 811321264 /nfs/dbraw/zinc/32/12/64/811321264.db2.gz UOYAPNULAVRBDT-KDOFPFPSSA-N 0 3 285.387 3.451 20 30 CGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001196854747 811376481 /nfs/dbraw/zinc/37/64/81/811376481.db2.gz SSBJFHHEPAQHQY-HOTGVXAUSA-N 0 3 298.446 3.119 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001197038868 811394731 /nfs/dbraw/zinc/39/47/31/811394731.db2.gz ZLJBUOGRMNDQPZ-GIFJBRJJSA-N 0 3 292.467 3.479 20 30 CGEDHN C#CCCN1CCCN(C(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001197802727 811453571 /nfs/dbraw/zinc/45/35/71/811453571.db2.gz SUVIPRBCMISUCP-INIZCTEOSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCCCCCN1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC001198242067 811486537 /nfs/dbraw/zinc/48/65/37/811486537.db2.gz QGVFHBZINXUBNW-HOTGVXAUSA-N 0 3 267.413 3.003 20 30 CGEDHN CCCCCCCN1CCN(C)c2ncccc2C1 ZINC001201776792 811965038 /nfs/dbraw/zinc/96/50/38/811965038.db2.gz LPZIARKXGCGKPO-UHFFFAOYSA-N 0 3 261.413 3.304 20 30 CGEDHN CCCCCCCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC001201840237 811968973 /nfs/dbraw/zinc/96/89/73/811968973.db2.gz PVZKDWCQTPSZSM-AWEZNQCLSA-N 0 3 274.399 3.372 20 30 CGEDHN CCCCCCCCCN1Cc2ccnn2CC[C@@H]1CO ZINC001201852982 811972962 /nfs/dbraw/zinc/97/29/62/811972962.db2.gz VULFWQNUECVTCJ-QGZVFWFLSA-N 0 3 293.455 3.200 20 30 CGEDHN CCCCCCCCCCN1CC(N2CCN(C)CC2)C1 ZINC001201875410 811973600 /nfs/dbraw/zinc/97/36/00/811973600.db2.gz YPOCQRYXZYNFDV-UHFFFAOYSA-N 0 3 295.515 3.059 20 30 CGEDHN CCCCCCCCCCN1CCCN(C)C(=O)C1 ZINC001201875412 811973923 /nfs/dbraw/zinc/97/39/23/811973923.db2.gz YSRWYPUUUWCRDU-UHFFFAOYSA-N 0 3 268.445 3.291 20 30 CGEDHN CCOc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001203968891 812503485 /nfs/dbraw/zinc/50/34/85/812503485.db2.gz PAEWLMINJLSNEM-CQSZACIVSA-N 0 3 258.365 3.211 20 30 CGEDHN COC1(CN2CCC[C@@](C)(C#N)C2)CCCCCC1 ZINC001204945160 812791205 /nfs/dbraw/zinc/79/12/05/812791205.db2.gz BJQCUXYVYXGPRI-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN C[C@@]1(F)CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001205459266 812987093 /nfs/dbraw/zinc/98/70/93/812987093.db2.gz KFHYLIJLFPUGML-OAHLLOKOSA-N 0 3 264.319 3.411 20 30 CGEDHN COCC[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC001205478937 812989333 /nfs/dbraw/zinc/98/93/33/812989333.db2.gz JBFIJEIXDVTSCK-OAHLLOKOSA-N 0 3 276.355 3.088 20 30 CGEDHN CC1(C)C(CNCc2cccc(F)c2C#N)C1(C)C ZINC001205498998 812992882 /nfs/dbraw/zinc/99/28/82/812992882.db2.gz QLGQHZJAZZJLAT-UHFFFAOYSA-N 0 3 260.356 3.469 20 30 CGEDHN Cn1cc(CN2CCC(c3cccs3)CC2)cc1C#N ZINC001207106827 813487574 /nfs/dbraw/zinc/48/75/74/813487574.db2.gz WZDWUTZTIWQCPK-UHFFFAOYSA-N 0 3 285.416 3.338 20 30 CGEDHN C=CCN1CCN(C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207185937 813510485 /nfs/dbraw/zinc/51/04/85/813510485.db2.gz KWRXBVQAOUIPRS-DOTOQJQBSA-N 0 3 290.838 3.247 20 30 CGEDHN C=CCN(CC=C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207316388 813539136 /nfs/dbraw/zinc/53/91/36/813539136.db2.gz XTCPFWCKHZWMAF-OAHLLOKOSA-N 0 3 294.439 3.450 20 30 CGEDHN C[C@@H](CCc1ccccc1F)NCC1(C#N)CCOCC1 ZINC001207775807 813648382 /nfs/dbraw/zinc/64/83/82/813648382.db2.gz RSGVICDGQRHDTP-AWEZNQCLSA-N 0 3 290.382 3.057 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001208575678 813767584 /nfs/dbraw/zinc/76/75/84/813767584.db2.gz SUMGTVUXWVDZFZ-RUZKMCDWSA-N 0 3 298.430 3.103 20 30 CGEDHN CN1CC=C(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001208836959 813858850 /nfs/dbraw/zinc/85/88/50/813858850.db2.gz DRDDVOOMBYDTGE-UHFFFAOYSA-N 0 3 281.281 3.208 20 30 CGEDHN CN1CC=C(Nc2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001208837920 813862655 /nfs/dbraw/zinc/86/26/55/813862655.db2.gz KWABHNQWJXRZOS-UHFFFAOYSA-N 0 3 282.174 3.496 20 30 CGEDHN Cc1nc2c(s1)CN(CCCc1cccc(C#N)c1)CC2 ZINC001208853842 813867358 /nfs/dbraw/zinc/86/73/58/813867358.db2.gz YRHCPPDRFKLHRD-UHFFFAOYSA-N 0 3 297.427 3.314 20 30 CGEDHN CN1CC=C(Nc2ccc(Cl)c(Cl)c2C#N)CC1 ZINC001208931121 813904507 /nfs/dbraw/zinc/90/45/07/813904507.db2.gz XUBNBENCKKSQRT-UHFFFAOYSA-N 0 3 282.174 3.496 20 30 CGEDHN COCCCN(CCC#N)C1CCCCCCC1 ZINC001209049760 813923341 /nfs/dbraw/zinc/92/33/41/813923341.db2.gz CFYDIFCMAAMMKM-UHFFFAOYSA-N 0 3 252.402 3.351 20 30 CGEDHN C=CCCCN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001209161616 813953486 /nfs/dbraw/zinc/95/34/86/813953486.db2.gz ALBGJXOHPGTEFU-ZIAGYGMSSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001209163246 813953575 /nfs/dbraw/zinc/95/35/75/813953575.db2.gz YYTBXSJIRBZJSI-KBPBESRZSA-N 0 3 282.428 3.282 20 30 CGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2CCc1ccc(F)c(F)c1 ZINC001209244041 813980212 /nfs/dbraw/zinc/98/02/12/813980212.db2.gz ORRPLJQUNYDOPY-ZSOGYDGISA-N 0 3 276.330 3.274 20 30 CGEDHN C=CCCCCCCCCN1CC(CC(=O)OC)C1 ZINC001209444120 814043166 /nfs/dbraw/zinc/04/31/66/814043166.db2.gz MMEOUEKCWPHSGY-UHFFFAOYSA-N 0 3 267.413 3.398 20 30 CGEDHN CN(C)Cc1ccccc1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211333592 814880392 /nfs/dbraw/zinc/88/03/92/814880392.db2.gz VPLSIVRUXKEPDT-UHFFFAOYSA-N 0 3 296.330 3.272 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2ccccc2)no1 ZINC001211436447 814891460 /nfs/dbraw/zinc/89/14/60/814891460.db2.gz LQRGRPYJBUZFPY-UHFFFAOYSA-N 0 3 269.348 3.236 20 30 CGEDHN C[C@@H]1CCN[C@H](C(=O)Nc2sc3ccccc3c2C#N)C1 ZINC001218648847 816249230 /nfs/dbraw/zinc/24/92/30/816249230.db2.gz LHLFEMBQCSOENR-MFKMUULPSA-N 0 3 299.399 3.100 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCCCC(C)C)[C@@H]2C1 ZINC001221878615 816331916 /nfs/dbraw/zinc/33/19/16/816331916.db2.gz XYKWOQNKTDWXGJ-IAGOWNOFSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCC(C)(C)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224665430 816845790 /nfs/dbraw/zinc/84/57/90/816845790.db2.gz IKSPMSZHPLBGET-HNNXBMFYSA-N 0 3 298.446 3.165 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228123741 817817569 /nfs/dbraw/zinc/81/75/69/817817569.db2.gz QXGUEUZJLFDUSQ-RRFJBIMHSA-N 0 3 298.858 3.358 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001231405055 818092277 /nfs/dbraw/zinc/09/22/77/818092277.db2.gz HEYVRSFIXANQNF-AWEZNQCLSA-N 0 3 292.467 3.168 20 30 CGEDHN N#CCCN(Cc1cc2c[nH]ccc-2n1)Cc1ccccc1 ZINC001232010227 818231573 /nfs/dbraw/zinc/23/15/73/818231573.db2.gz DDPCFQJZGQAXJC-UHFFFAOYSA-N 0 3 290.370 3.479 20 30 CGEDHN N#CCCN(Cc1cc2cnccc2[nH]1)Cc1ccccc1 ZINC001232010227 818231577 /nfs/dbraw/zinc/23/15/77/818231577.db2.gz DDPCFQJZGQAXJC-UHFFFAOYSA-N 0 3 290.370 3.479 20 30 CGEDHN CCCCCCCN(C)Cc1ccc(C(=O)OC)[nH]1 ZINC001232075521 818247634 /nfs/dbraw/zinc/24/76/34/818247634.db2.gz DQZFSMPDYNIEJM-UHFFFAOYSA-N 0 3 266.385 3.204 20 30 CGEDHN CC1(C)CN(Cc2ccc(C#N)c(Cl)c2)[C@](C)(CO)C1 ZINC001232111396 818258486 /nfs/dbraw/zinc/25/84/86/818258486.db2.gz GNBIVJAXJQPWCP-INIZCTEOSA-N 0 3 292.810 3.195 20 30 CGEDHN CC(C)N1CCN(Cc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC001232118164 818259981 /nfs/dbraw/zinc/25/99/81/818259981.db2.gz KAEUXAHXNJTZIQ-ZDUSSCGKSA-N 0 3 291.826 3.126 20 30 CGEDHN O=C1C=C2CN(Cc3cc(Cl)cs3)CCC2S1 ZINC001232278747 818301577 /nfs/dbraw/zinc/30/15/77/818301577.db2.gz UAMDIOQLIXNWDJ-NSHDSACASA-N 0 3 285.821 3.176 20 30 CGEDHN COc1cccc(CCN(C)Cc2ccc(C#N)s2)c1 ZINC001232845652 818454509 /nfs/dbraw/zinc/45/45/09/818454509.db2.gz HYTUBPWEXDGUBL-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN COc1cccc(CCCN(C)Cc2cccc(C#N)n2)c1 ZINC001232925987 818475579 /nfs/dbraw/zinc/47/55/79/818475579.db2.gz WBNPCQGOBXRTRI-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)c(C#N)c1 ZINC001232966788 818485384 /nfs/dbraw/zinc/48/53/84/818485384.db2.gz WATBRETVSIEFON-QGZVFWFLSA-N 0 3 277.371 3.251 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(O)c(OCC3CC3)c2)C1 ZINC001233229772 818546918 /nfs/dbraw/zinc/54/69/18/818546918.db2.gz OPKKSQRLFJLXHI-CQSZACIVSA-N 0 3 285.387 3.026 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233673612 818676366 /nfs/dbraw/zinc/67/63/66/818676366.db2.gz GZFVGSJDZJSJTQ-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001233760739 818698833 /nfs/dbraw/zinc/69/88/33/818698833.db2.gz DHIYKMRWJHYQGA-NBEHIINDSA-N 0 3 290.451 3.069 20 30 CGEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CCCC(C)(C)C ZINC001234161463 818794505 /nfs/dbraw/zinc/79/45/05/818794505.db2.gz LNYRHEALLBZRCT-INIZCTEOSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563476 818883117 /nfs/dbraw/zinc/88/31/17/818883117.db2.gz RFHXAAFLNCUOPR-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN N#CCc1ccccc1CN1CCC[C@H]1c1ccncc1 ZINC001235523170 819114957 /nfs/dbraw/zinc/11/49/57/819114957.db2.gz MCIKBUWERQEAOI-SFHVURJKSA-N 0 3 277.371 3.485 20 30 CGEDHN COc1cc(CN2CCC3(CC(F)C3)CC2)ccc1C#N ZINC001238410777 819987790 /nfs/dbraw/zinc/98/77/90/819987790.db2.gz UYUHQJCMEITBCC-UHFFFAOYSA-N 0 3 288.366 3.281 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1ccc(C#N)c(F)c1 ZINC001240162043 820866018 /nfs/dbraw/zinc/86/60/18/820866018.db2.gz BVXVNGDQSSSJQJ-SOFGYWHQSA-N 0 3 267.307 3.292 20 30 CGEDHN CCC/C=C/c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242252261 822927755 /nfs/dbraw/zinc/92/77/55/822927755.db2.gz CBCHABLXCAHSFE-GUOLPTJISA-N 0 3 287.363 3.239 20 30 CGEDHN CN1CCc2ccc(-c3ccc(F)cc3C#N)cc2C1 ZINC001242584273 823044681 /nfs/dbraw/zinc/04/46/81/823044681.db2.gz PVTXTQVGSGQMJF-UHFFFAOYSA-N 0 3 266.319 3.352 20 30 CGEDHN CCCSC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001335042015 936126613 /nfs/dbraw/zinc/12/66/13/936126613.db2.gz NKUGLSZIKOXBPN-LLVKDONJSA-N 0 3 266.385 3.319 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1C)C1CC1 ZINC001339933888 936391453 /nfs/dbraw/zinc/39/14/53/936391453.db2.gz GMEHVIPMUUOSBQ-SJORKVTESA-N 0 3 286.419 3.246 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC001340766668 936413872 /nfs/dbraw/zinc/41/38/72/936413872.db2.gz JCMJCPDVYZSZQJ-MFKMUULPSA-N 0 3 298.789 3.340 20 30 CGEDHN N#CC(C(=O)C1=CCCCCC1)c1cccc(F)n1 ZINC001343348506 936496233 /nfs/dbraw/zinc/49/62/33/936496233.db2.gz FCVPJTNQASCCAF-GFCCVEGCSA-N 0 3 258.296 3.287 20 30 CGEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1nccn1Cc1ccccc1 ZINC001343705220 936510937 /nfs/dbraw/zinc/51/09/37/936510937.db2.gz ODPCZNZHAIBXAM-HUUCEWRRSA-N 0 3 299.349 3.102 20 30 CGEDHN Cc1nc(C2CC2)ccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001344073743 936525437 /nfs/dbraw/zinc/52/54/37/936525437.db2.gz XUCSHIVNISRWHB-ZDUSSCGKSA-N 0 3 295.317 3.292 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1CCc2ccccc21 ZINC001344874700 936547665 /nfs/dbraw/zinc/54/76/65/936547665.db2.gz FICKQCZPJXIONB-GOEBONIOSA-N 0 3 293.370 3.199 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001349701459 936958455 /nfs/dbraw/zinc/95/84/55/936958455.db2.gz GEGVKNIGYSQMOZ-IGQOVBAYSA-N 0 3 273.380 3.152 20 30 CGEDHN Cc1ccc2[nH]cc(CCNC[C@H](C#N)CCC#N)c2c1 ZINC001353260891 937061643 /nfs/dbraw/zinc/06/16/43/937061643.db2.gz OSICFFJCOKKZKY-AWEZNQCLSA-N 0 3 280.375 3.052 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001481747826 927078407 /nfs/dbraw/zinc/07/84/07/927078407.db2.gz MVVXKABMZLBCKI-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)c1ccc(C(C)(C)C)s1 ZINC001356577120 927278108 /nfs/dbraw/zinc/27/81/08/927278108.db2.gz CNAQRNXSYYTRFC-JTQLQIEISA-N 0 3 287.388 3.269 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCCC12CC2)C(C)C ZINC001482537547 927281557 /nfs/dbraw/zinc/28/15/57/927281557.db2.gz MKWUZAMUZXJJIK-KGLIPLIRSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001483213794 927443128 /nfs/dbraw/zinc/44/31/28/927443128.db2.gz ZZRLZVUUCGVUFX-NSHDSACASA-N 0 3 298.789 3.040 20 30 CGEDHN N#CC(C(=O)C=Cc1cccs1)c1cccc(F)n1 ZINC001357580062 937174804 /nfs/dbraw/zinc/17/48/04/937174804.db2.gz IBXCQWRQZVNZEW-MLRMMBSGSA-N 0 3 272.304 3.172 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC001357486996 937173560 /nfs/dbraw/zinc/17/35/60/937173560.db2.gz PAJMSXHLDNFCGD-AWEZNQCLSA-N 0 3 290.407 3.446 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H]1CCCCC1(C)C ZINC001483709430 927582658 /nfs/dbraw/zinc/58/26/58/927582658.db2.gz XRIBUSOZTXVSBG-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001484715688 927741774 /nfs/dbraw/zinc/74/17/74/927741774.db2.gz VCADXGINFSDLHI-PIZKADEWSA-N 0 3 298.858 3.312 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)CCCCCCCC)C[C@H]1C ZINC001484986023 927780923 /nfs/dbraw/zinc/78/09/23/927780923.db2.gz NWGHQRPXAMDEPP-SJORKVTESA-N 0 3 292.467 3.339 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)CCCCCCCC)C[C@@H]1C ZINC001484986020 927781647 /nfs/dbraw/zinc/78/16/47/927781647.db2.gz NWGHQRPXAMDEPP-DLBZAZTESA-N 0 3 292.467 3.339 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CC1CCCCCC1 ZINC001485068192 927800632 /nfs/dbraw/zinc/80/06/32/927800632.db2.gz AEQAMNPFXHYVIX-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC/C=C/c1ccccc1 ZINC001485352494 927851680 /nfs/dbraw/zinc/85/16/80/927851680.db2.gz ZWYZQPJQEBSAGU-RCLKMUNOSA-N 0 3 286.419 3.103 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C)C1 ZINC001485694200 927903833 /nfs/dbraw/zinc/90/38/33/927903833.db2.gz AMHZVZZYKLLSTM-NMFUWQPSSA-N 0 3 298.858 3.050 20 30 CGEDHN CNc1ccc(C)cc1CN1CCC[C@@H](CC#N)C1 ZINC001474625271 937207749 /nfs/dbraw/zinc/20/77/49/937207749.db2.gz LKVFEISSZAUVEE-AWEZNQCLSA-N 0 3 257.381 3.162 20 30 CGEDHN CC(C)OC[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000501446153 928048023 /nfs/dbraw/zinc/04/80/23/928048023.db2.gz BEVBUNGXOHRGRJ-CYBMUJFWSA-N 0 3 299.336 3.460 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C(C)=C\CC)C1 ZINC001489224738 928321975 /nfs/dbraw/zinc/32/19/75/928321975.db2.gz JWQJDGFZYTUYTE-ODDCISTRSA-N 0 3 298.858 3.456 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001490289624 928341851 /nfs/dbraw/zinc/34/18/51/928341851.db2.gz QKHDSRUSMNSODX-UKRRQHHQSA-N 0 3 298.858 3.288 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001490570642 928375900 /nfs/dbraw/zinc/37/59/00/928375900.db2.gz QMIILHQMUINPMF-HOTGVXAUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)CCCC1CCCCC1 ZINC001492841149 937242014 /nfs/dbraw/zinc/24/20/14/937242014.db2.gz KWUDOUWXNDKGIF-UHFFFAOYSA-N 0 3 280.456 3.361 20 30 CGEDHN C=C1CCC(CNC(=O)[C@H]2CCCCN2CCC)CC1 ZINC001455550058 937419409 /nfs/dbraw/zinc/41/94/09/937419409.db2.gz ZEAVEVDIBDGNHC-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCN(Cc1cccc(OCCC)c1)CC1CC1 ZINC001459779715 937499730 /nfs/dbraw/zinc/49/97/30/937499730.db2.gz WPQKOOOZXFGAAY-UHFFFAOYSA-N 0 3 257.377 3.321 20 30 CGEDHN C=CCC[C@@H](NC/C=C\C(=O)OCC)c1ccccc1 ZINC001459855388 937503046 /nfs/dbraw/zinc/50/30/46/937503046.db2.gz ZXUAOFCAVURBCE-RCBBPTIPSA-N 0 3 273.376 3.403 20 30 CGEDHN C#C[C@H](NC[C@@H]1CCC[C@@H](c2ccccc2)O1)[C@@H]1CCCO1 ZINC001459988829 937510067 /nfs/dbraw/zinc/51/00/67/937510067.db2.gz KENPIODOJXWSJN-VJANTYMQSA-N 0 3 299.414 3.067 20 30 CGEDHN C#C[C@H](NC[C@@H]1CCC[C@H](c2ccccc2)O1)[C@@H]1CCCO1 ZINC001459988825 937510590 /nfs/dbraw/zinc/51/05/90/937510590.db2.gz KENPIODOJXWSJN-OKYOBFRVSA-N 0 3 299.414 3.067 20 30 CGEDHN C=CCCCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC001460052223 937513824 /nfs/dbraw/zinc/51/38/24/937513824.db2.gz LARVWINPOVYMGI-CQSZACIVSA-N 0 3 278.371 3.420 20 30 CGEDHN C[C@H](COCc1ccccc1)CN(C)[C@@H]1CCC[C@H]1C#N ZINC001460603156 937536291 /nfs/dbraw/zinc/53/62/91/937536291.db2.gz AXOJKSZFDGNRCL-RYQLBKOJSA-N 0 3 286.419 3.463 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC001140136400 931957280 /nfs/dbraw/zinc/95/72/80/931957280.db2.gz YWXPUSIGYDZCKM-KBPBESRZSA-N 0 3 258.340 3.319 20 30 CGEDHN C#C[C@@H](CCCC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228945940 932057054 /nfs/dbraw/zinc/05/70/54/932057054.db2.gz YJCMMIFEKYSOND-INIZCTEOSA-N 0 3 257.377 3.245 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCCc2c(cccc2OC)C1 ZINC001461814536 937598816 /nfs/dbraw/zinc/59/88/16/937598816.db2.gz BYSYCOWXPHNOFC-LSDHHAIUSA-N 0 3 272.392 3.224 20 30 CGEDHN CN(C)Cc1ccccc1OC1CCC(C#N)CC1 ZINC001229700370 932471494 /nfs/dbraw/zinc/47/14/94/932471494.db2.gz ZWWMSWVPIFHROM-UHFFFAOYSA-N 0 3 258.365 3.209 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001230589003 932595376 /nfs/dbraw/zinc/59/53/76/932595376.db2.gz UQIGVEWBINLHRJ-OAHLLOKOSA-N 0 3 292.423 3.396 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCC ZINC001230620317 932598937 /nfs/dbraw/zinc/59/89/37/932598937.db2.gz VLKLWBMZWQZLPO-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCN(CC)C1)c1ccc(Cl)cc1F ZINC001462224889 937626255 /nfs/dbraw/zinc/62/62/55/937626255.db2.gz JQWKXZZLJCYRST-CJNGLKHVSA-N 0 3 294.801 3.227 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(Oc2ccccn2)c1 ZINC001462157961 937621598 /nfs/dbraw/zinc/62/15/98/937621598.db2.gz PCRVPYTYNSDXJJ-AWEZNQCLSA-N 0 3 266.344 3.327 20 30 CGEDHN C=C1CCC(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)CC1 ZINC001303544321 932828568 /nfs/dbraw/zinc/82/85/68/932828568.db2.gz RCSGBQDAFAATLU-OAHLLOKOSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCCCN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC001307472163 932957616 /nfs/dbraw/zinc/95/76/16/932957616.db2.gz XXCVHSPNEBXVCD-KRWDZBQOSA-N 0 3 286.419 3.470 20 30 CGEDHN C=C(CC)CN(CC1CC1)[C@@](C)(CC)C(=O)OC ZINC001307861662 933011393 /nfs/dbraw/zinc/01/13/93/933011393.db2.gz XTTFAQYAERERMP-HNNXBMFYSA-N 0 3 253.386 3.006 20 30 CGEDHN N#CCc1cccc2c1CCN(CCc1cccc(F)c1)C2 ZINC001307976946 933028510 /nfs/dbraw/zinc/02/85/10/933028510.db2.gz ZDTKGQCMFMIOSM-UHFFFAOYSA-N 0 3 294.373 3.493 20 30 CGEDHN C=C(C)CN1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001308043060 933038567 /nfs/dbraw/zinc/03/85/67/933038567.db2.gz KUGJGSVTQRVZKZ-UHFFFAOYSA-N 0 3 294.439 3.428 20 30 CGEDHN C#CCN(CCCC#N)[C@@H]1CCCc2ccccc21 ZINC001308104308 933049387 /nfs/dbraw/zinc/04/93/87/933049387.db2.gz QGQWTXWFGRRESZ-QGZVFWFLSA-N 0 3 252.361 3.303 20 30 CGEDHN C=CC(C)(C)CC[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001308877508 933195485 /nfs/dbraw/zinc/19/54/85/933195485.db2.gz UFHYVXAJLBZHCO-UHFFFAOYSA-N 0 3 263.381 3.401 20 30 CGEDHN OC[C@H](CNCC#Cc1ccccc1)c1ccc(Cl)cc1 ZINC001308927587 933206413 /nfs/dbraw/zinc/20/64/13/933206413.db2.gz VGSZTSXKJTWOLI-KRWDZBQOSA-N 0 3 299.801 3.057 20 30 CGEDHN C=C(C)CCC(=O)N(CCN(C)C)CC1CCCCC1 ZINC001464473481 937691084 /nfs/dbraw/zinc/69/10/84/937691084.db2.gz BZXWOXKJZUVPDM-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001317381001 933581645 /nfs/dbraw/zinc/58/16/45/933581645.db2.gz IDJRZZYXWNIVPI-IRXDYDNUSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1ccccc1F)c1ccccc1 ZINC001317714629 933636180 /nfs/dbraw/zinc/63/61/80/933636180.db2.gz SKMJJQGKVBHDHY-QGZVFWFLSA-N 0 3 298.361 3.072 20 30 CGEDHN C#CCCCCCC(=O)N(CC)[C@H]1CCN(CC(=C)C)C1 ZINC001318480275 933732248 /nfs/dbraw/zinc/73/22/48/933732248.db2.gz VGKOBONFCGKBND-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1(C)C(C)(C)C1(C)C ZINC001467728743 937721416 /nfs/dbraw/zinc/72/14/16/937721416.db2.gz OQRKDSZJCKBFFL-UHFFFAOYSA-N 0 3 280.456 3.025 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001467728760 937721653 /nfs/dbraw/zinc/72/16/53/937721653.db2.gz OVEVMTIXQGTDPT-IRXDYDNUSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001320540356 934064045 /nfs/dbraw/zinc/06/40/45/934064045.db2.gz GPXXVXCHIXPXOS-STQMWFEESA-N 0 3 286.847 3.050 20 30 CGEDHN Cc1cc(CNCc2cccc(OCC#N)c2)ccc1C#N ZINC001320799094 934105133 /nfs/dbraw/zinc/10/51/33/934105133.db2.gz CAEBHSVMIWZGKQ-UHFFFAOYSA-N 0 3 291.354 3.059 20 30 CGEDHN C=C[C@@H](COC)N[C@H](CCC)c1ccc(OC)cc1 ZINC001321242369 934168434 /nfs/dbraw/zinc/16/84/34/934168434.db2.gz WJQCNNHVNRMOKX-GOEBONIOSA-N 0 3 263.381 3.327 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C(C)(C)C)s1 ZINC001322299423 934273264 /nfs/dbraw/zinc/27/32/64/934273264.db2.gz UGLVLAODZJEXMQ-GFCCVEGCSA-N 0 3 294.464 3.282 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001324022246 934449430 /nfs/dbraw/zinc/44/94/30/934449430.db2.gz PLPVCVBXWWOYGA-GUYCJALGSA-N 0 3 259.393 3.417 20 30 CGEDHN N#Cc1ccc(F)cc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001472634308 937779025 /nfs/dbraw/zinc/77/90/25/937779025.db2.gz BARAIVGUROSJBT-QGZVFWFLSA-N 0 3 295.361 3.384 20 30 CGEDHN C#C[C@@H]1CCCN(CCSc2ccc(F)cc2F)C1 ZINC001473587526 937812423 /nfs/dbraw/zinc/81/24/23/937812423.db2.gz MECGQSFJNVSLKH-GFCCVEGCSA-N 0 3 281.371 3.402 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC(C)C ZINC001325923147 934939638 /nfs/dbraw/zinc/93/96/38/934939638.db2.gz VGXGZPZXLXSVLD-HZPDHXFCSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001473628075 937814955 /nfs/dbraw/zinc/81/49/55/937814955.db2.gz ZOOQEGVMHPXPKF-WBVHZDCISA-N 0 3 284.403 3.080 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H](C)CCC ZINC001326449406 934981219 /nfs/dbraw/zinc/98/12/19/934981219.db2.gz LADMPVDUZXTJMX-OAHLLOKOSA-N 0 3 288.435 3.357 20 30 CGEDHN C=CC[C@@H]1CCCN(CN2CC[C@H](c3ccccc3)C2=O)C1 ZINC001327701748 935079659 /nfs/dbraw/zinc/07/96/59/935079659.db2.gz ZHZVBAKWGZEZDZ-SJLPKXTDSA-N 0 3 298.430 3.248 20 30 CGEDHN C=CCO[C@@H]1CCN(C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001327946374 935101082 /nfs/dbraw/zinc/10/10/82/935101082.db2.gz OWOQAEAEYRIIQO-MLGOLLRUSA-N 0 3 281.346 3.345 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccccc1CC ZINC001328403178 935134596 /nfs/dbraw/zinc/13/45/96/935134596.db2.gz REXFJRJUHDXJJE-ZDUSSCGKSA-N 0 3 294.826 3.100 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H](CC)C(C)C ZINC001328787643 935168867 /nfs/dbraw/zinc/16/88/67/935168867.db2.gz WUOAIKPOXCIXMI-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C(=NNCC1CCCC1)c1ccc(N2CCCC2)cc1 ZINC001329439784 935216105 /nfs/dbraw/zinc/21/61/05/935216105.db2.gz NBUSZUFFRWOBFG-UHFFFAOYSA-N 0 3 271.408 3.401 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001330073053 935265898 /nfs/dbraw/zinc/26/58/98/935265898.db2.gz YVSOCZYZOGMQFV-CABCVRRESA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC[C@H](C)CC)C(C)(C)C1 ZINC001330242583 935279726 /nfs/dbraw/zinc/27/97/26/935279726.db2.gz MCYAIFCRMVVJNC-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CC[C@H](NCc1ccc2oc(=O)oc2c1)c1ccncc1 ZINC001474007499 937835015 /nfs/dbraw/zinc/83/50/15/937835015.db2.gz FLCHAVMRHFTZDQ-AWEZNQCLSA-N 0 3 296.326 3.188 20 30 CGEDHN C#CCN(CC#CC)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001474369691 937855501 /nfs/dbraw/zinc/85/55/01/937855501.db2.gz OPEOFUYEHAYEFS-RTBURBONSA-N 0 3 265.400 3.455 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(C#N)c(F)c1 ZINC001474579863 937868544 /nfs/dbraw/zinc/86/85/44/937868544.db2.gz PXPNPTCFYVKLAA-UHFFFAOYSA-N 0 3 293.345 3.476 20 30 CGEDHN C#C[C@@H](N[C@@H](C)c1nccc2ccccc21)C1CCOCC1 ZINC001474636966 937871738 /nfs/dbraw/zinc/87/17/38/937871738.db2.gz SKROBBRCAZYQJK-KBXCAEBGSA-N 0 3 294.398 3.314 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(F)cc(OCC)c2)C1 ZINC001474646802 937873023 /nfs/dbraw/zinc/87/30/23/937873023.db2.gz IJAHMTIGIATEJC-ZDUSSCGKSA-N 0 3 261.340 3.070 20 30 CGEDHN C=CCCCN(CC)Cc1cn2cccc(F)c2n1 ZINC001474739499 937878155 /nfs/dbraw/zinc/87/81/55/937878155.db2.gz XALMKNXBRUGNJL-UHFFFAOYSA-N 0 3 261.344 3.262 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)[C@H]1CC ZINC001479644864 937923124 /nfs/dbraw/zinc/92/31/24/937923124.db2.gz HOICSKNDFPFRIA-HRCADAONSA-N 0 3 280.456 3.214 20 30 CGEDHN C#CCN(CCCNC(=O)C[C@@H](C)CC(C)(C)C)C1CC1 ZINC001479875741 937927694 /nfs/dbraw/zinc/92/76/94/937927694.db2.gz BDCHSCONGFLFNU-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001479904638 937929135 /nfs/dbraw/zinc/92/91/35/937929135.db2.gz SYPURAVQGLWQKQ-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H](CN(C)C[C@@H](F)CC)C1 ZINC001480085415 937932261 /nfs/dbraw/zinc/93/22/61/937932261.db2.gz RBJCDYRULUHGKU-HOTGVXAUSA-N 0 3 298.446 3.261 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@H]1CCCCC1(C)C)C1CC1 ZINC001493452863 937950669 /nfs/dbraw/zinc/95/06/69/937950669.db2.gz ZIIAFNIBDUEXHZ-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCC(=O)N(C)CCN(C)[C@@H](C)c1ccccc1 ZINC001496709147 937963779 /nfs/dbraw/zinc/96/37/79/937963779.db2.gz AWYNZPWLBZUNPL-INIZCTEOSA-N 0 3 288.435 3.494 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001498999861 937971897 /nfs/dbraw/zinc/97/18/97/937971897.db2.gz YGJRBOKIFFYYML-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC(C)C ZINC001499546468 937973701 /nfs/dbraw/zinc/97/37/01/937973701.db2.gz UXAIGRIQRSSXKI-CALCHBBNSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNCC(=C)Cl)C1 ZINC001501614670 937980035 /nfs/dbraw/zinc/98/00/35/937980035.db2.gz GRLVKJRLRMYXTK-GDBMZVCRSA-N 0 3 298.858 3.169 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)/C=C\C(C)(C)C)cc1 ZINC001501672454 937980258 /nfs/dbraw/zinc/98/02/58/937980258.db2.gz FGCOAQBWEDUBAX-SSCKCOOKSA-N 0 3 298.430 3.189 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001506563061 937990721 /nfs/dbraw/zinc/99/07/21/937990721.db2.gz WRDCUCOQEHBPFO-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(CC)CCC2)[C@@H]1C ZINC001507381031 937995704 /nfs/dbraw/zinc/99/57/04/937995704.db2.gz HWUCPHQJNQTZMD-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN CCCC[C@@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001520449448 938025879 /nfs/dbraw/zinc/02/58/79/938025879.db2.gz PVLWHNVPDXFGRS-KOLCDFICSA-N 0 3 266.291 3.362 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC001521216579 938030487 /nfs/dbraw/zinc/03/04/87/938030487.db2.gz IWONBUCYPSXRTN-JKSUJKDBSA-N 0 3 290.382 3.173 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C1CCCC1)C1CCCC1 ZINC001521820441 938034564 /nfs/dbraw/zinc/03/45/64/938034564.db2.gz JUPHTQORGSEARA-CQSZACIVSA-N 0 3 298.858 3.322 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(F)F)cc1 ZINC001523168553 938038750 /nfs/dbraw/zinc/03/87/50/938038750.db2.gz DZIGJHKTBSVDLG-LBPRGKRZSA-N 0 3 268.307 3.246 20 30 CGEDHN Cc1nc2cc(C(=O)C(C#N)c3cccc(F)n3)ccc2o1 ZINC001524733954 938045281 /nfs/dbraw/zinc/04/52/81/938045281.db2.gz MKUKTQAUZPSFHQ-NSHDSACASA-N 0 3 295.273 3.160 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)c2cc(C#N)ccc2F)c1 ZINC001540548296 938132137 /nfs/dbraw/zinc/13/21/37/938132137.db2.gz WCUKMKKAICLTLR-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN C=C(CC(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001542420298 938136011 /nfs/dbraw/zinc/13/60/11/938136011.db2.gz ZPZYOOZVRTZGQW-KRWDZBQOSA-N 0 3 288.435 3.316 20 30 CGEDHN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001559690060 938232891 /nfs/dbraw/zinc/23/28/91/938232891.db2.gz DRGCZKKRLCULTR-KGLIPLIRSA-N 0 3 282.428 3.282 20 30 CGEDHN CCCCCCCN1CCN(C(=O)C2CC2)CC1(C)C ZINC001559712970 938233539 /nfs/dbraw/zinc/23/35/39/938233539.db2.gz BUFWNHIXCUYNQN-UHFFFAOYSA-N 0 3 280.456 3.290 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)ccn2)C12CCCCC2 ZINC001559811060 938236299 /nfs/dbraw/zinc/23/62/99/938236299.db2.gz CIAPFVUSOCRWLY-IRXDYDNUSA-N 0 3 299.418 3.171 20 30 CGEDHN CC(C)(C)OC[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC001560130314 938244710 /nfs/dbraw/zinc/24/47/10/938244710.db2.gz HHVPHSYGFMIAPH-OAHLLOKOSA-N 0 3 290.382 3.477 20 30 CGEDHN C=CCCC[C@@H](C)NCc1nc2c(s1)CCC2 ZINC001560414626 938257750 /nfs/dbraw/zinc/25/77/50/938257750.db2.gz FBMFHGUCDVCNFI-LLVKDONJSA-N 0 3 250.411 3.466 20 30 CGEDHN C#CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001560575586 938263687 /nfs/dbraw/zinc/26/36/87/938263687.db2.gz OFSBTMHSUGZEKA-CQSZACIVSA-N 0 3 281.355 3.255 20 30 CGEDHN C#CCC[C@H](O)CN[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC001560991108 938288383 /nfs/dbraw/zinc/28/83/83/938288383.db2.gz CJIRDEQXGZBAQW-YJBOKZPZSA-N 0 3 294.398 3.174 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC(C)C ZINC001565831829 960836336 /nfs/dbraw/zinc/83/63/36/960836336.db2.gz OMZJXWZWPISUNM-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001566671835 960975526 /nfs/dbraw/zinc/97/55/26/960975526.db2.gz BXANAAWUNKAIGR-WGLAMXGCSA-N 0 3 298.430 3.247 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001566699919 960989079 /nfs/dbraw/zinc/98/90/79/960989079.db2.gz ONCBVSCPJQOVEE-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC(C)(C)CC)C1 ZINC001566962818 961071730 /nfs/dbraw/zinc/07/17/30/961071730.db2.gz MCNYORAKKQZXRQ-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CCCCC ZINC001567866098 961442223 /nfs/dbraw/zinc/44/22/23/961442223.db2.gz GXXGBYRGCRMNLE-IKGGRYGDSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H]2CNC[C@H](F)CC)CCC1 ZINC001568146249 961506444 /nfs/dbraw/zinc/50/64/44/961506444.db2.gz MGHZQSWZXUTIAS-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCC[C@H]1C ZINC001569234278 961728275 /nfs/dbraw/zinc/72/82/75/961728275.db2.gz LEZHHFXVOVQQEB-OCCSQVGLSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(C)C ZINC001569459440 961767691 /nfs/dbraw/zinc/76/76/91/961767691.db2.gz FGENMINUCPOOKZ-CALCHBBNSA-N 0 3 290.451 3.229 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C(C)=C2CCCC2)C1 ZINC001569712405 961829218 /nfs/dbraw/zinc/82/92/18/961829218.db2.gz VACHLFLUGKQKKF-SFHVURJKSA-N 0 3 290.451 3.281 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C=C(C)C)c1ccccc1CC ZINC001569801178 961840432 /nfs/dbraw/zinc/84/04/32/961840432.db2.gz ZVZUDHYHGYHAOA-KRWDZBQOSA-N 0 3 286.419 3.148 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@H](C)CC ZINC001570025857 961884222 /nfs/dbraw/zinc/88/42/22/961884222.db2.gz OSBWLNAPCIQXOX-OAHLLOKOSA-N 0 3 288.435 3.357 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001570185531 961927555 /nfs/dbraw/zinc/92/75/55/961927555.db2.gz NCUBHSNQQLFAQZ-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CCC)CC1 ZINC001570520632 961990892 /nfs/dbraw/zinc/99/08/92/961990892.db2.gz JZMFFIPTSYZFIM-IAGOWNOFSA-N 0 3 298.430 3.125 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)CCC ZINC001570671445 962028828 /nfs/dbraw/zinc/02/88/28/962028828.db2.gz URBSQLXRSWXXDQ-LBPRGKRZSA-N 0 3 288.863 3.249 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC)c1ccc(C)c(F)c1 ZINC001574908228 962330891 /nfs/dbraw/zinc/33/08/91/962330891.db2.gz IWKYKEYKIZROQA-JKSUJKDBSA-N 0 3 292.398 3.385 20 30 CGEDHN Cc1cc(F)c(C#N)cc1NC(=O)C[C@@H](N)c1ccccc1 ZINC001579609507 962649054 /nfs/dbraw/zinc/64/90/54/962649054.db2.gz ZBXLWMKKRJRXHT-OAHLLOKOSA-N 0 3 297.333 3.034 20 30 CGEDHN C=C(C)CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588419611 963270139 /nfs/dbraw/zinc/27/01/39/963270139.db2.gz QCAUJLBFROMYKZ-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=C(C)CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588419611 963270149 /nfs/dbraw/zinc/27/01/49/963270149.db2.gz QCAUJLBFROMYKZ-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=C(C)CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588419611 963270159 /nfs/dbraw/zinc/27/01/59/963270159.db2.gz QCAUJLBFROMYKZ-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=C(C)CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588419611 963270165 /nfs/dbraw/zinc/27/01/65/963270165.db2.gz QCAUJLBFROMYKZ-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(-c3nnn[n-]3)c2)C1 ZINC001588560881 963282935 /nfs/dbraw/zinc/28/29/35/963282935.db2.gz VFCJBRYEORBYLL-UKRRQHHQSA-N 0 3 297.406 3.010 20 30 CGEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(-c3nn[n-]n3)c2)C1 ZINC001588560881 963282945 /nfs/dbraw/zinc/28/29/45/963282945.db2.gz VFCJBRYEORBYLL-UKRRQHHQSA-N 0 3 297.406 3.010 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588560875 963288276 /nfs/dbraw/zinc/28/82/76/963288276.db2.gz UZKFCXGRGHNKKO-GDBMZVCRSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588560875 963288283 /nfs/dbraw/zinc/28/82/83/963288283.db2.gz UZKFCXGRGHNKKO-GDBMZVCRSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2nnc3ccccn32)C1 ZINC000651669966 398265653 /nfs/dbraw/zinc/26/56/53/398265653.db2.gz PRQALDGMQGKKGA-MJBXVCDLSA-N 0 3 270.380 3.125 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCCO[C@H](c3ccccc3)C2)C1 ZINC000590159149 346833448 /nfs/dbraw/zinc/83/34/48/346833448.db2.gz WYYMBYGYBSAWES-OIISXLGYSA-N 0 3 270.376 3.142 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000651708048 398272437 /nfs/dbraw/zinc/27/24/37/398272437.db2.gz CWPYFESFVCOMLT-SQWLQELKSA-N 0 3 272.392 3.348 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000590599316 346853686 /nfs/dbraw/zinc/85/36/86/346853686.db2.gz GIHIQXRYAJGXEH-QGZVFWFLSA-N 0 3 277.371 3.333 20 30 CGEDHN C=C[C@H](C)NCc1cn(-c2cccc(C)c2)nc1C ZINC000651733747 398278333 /nfs/dbraw/zinc/27/83/33/398278333.db2.gz SIBOUROANLODDH-ZDUSSCGKSA-N 0 3 255.365 3.153 20 30 CGEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nnc(C(C)C)[n-]2)C1 ZINC000651745967 398280876 /nfs/dbraw/zinc/28/08/76/398280876.db2.gz BSMDSQRJXXOBGD-XQQFMLRXSA-N 0 3 262.401 3.324 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2nnc(C(C)C)[nH]2)C1 ZINC000651745967 398280878 /nfs/dbraw/zinc/28/08/78/398280878.db2.gz BSMDSQRJXXOBGD-XQQFMLRXSA-N 0 3 262.401 3.324 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2ccncc2OC)C1 ZINC000651780547 398286752 /nfs/dbraw/zinc/28/67/52/398286752.db2.gz LXLUAXSJRKVWFR-MJBXVCDLSA-N 0 3 260.381 3.486 20 30 CGEDHN Cc1c(C#N)cccc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000337975325 214338671 /nfs/dbraw/zinc/33/86/71/214338671.db2.gz BGSDUPSTDQYMBX-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H](C)CCO)cc1Cl ZINC000652047100 398320168 /nfs/dbraw/zinc/32/01/68/398320168.db2.gz HLIXHMXMLQBLNA-GFCCVEGCSA-N 0 3 283.799 3.108 20 30 CGEDHN C=CC[C@H]1CC[C@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000652191024 398326744 /nfs/dbraw/zinc/32/67/44/398326744.db2.gz HFQRFWKHELUYKB-HOCLYGCPSA-N 0 3 284.403 3.492 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000591243334 346910733 /nfs/dbraw/zinc/91/07/33/346910733.db2.gz PZGGZNBJDOSJEP-JTQLQIEISA-N 0 3 273.336 3.124 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN([C@H](C)[C@H](C)CC)C1CC1 ZINC000591474404 346926005 /nfs/dbraw/zinc/92/60/05/346926005.db2.gz CEZZVAZSUOTIGK-HUUCEWRRSA-N 0 3 280.456 3.310 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(C)c(Br)cn1 ZINC000623423022 349804327 /nfs/dbraw/zinc/80/43/27/349804327.db2.gz QPBCLIKBCQOQFV-SNVBAGLBSA-N 0 3 269.186 3.207 20 30 CGEDHN N#Cc1cnccc1CN1CCC[C@H]1Cc1ccccc1 ZINC000592058653 346958345 /nfs/dbraw/zinc/95/83/45/346958345.db2.gz JPJFFWFUCHGNDE-SFHVURJKSA-N 0 3 277.371 3.160 20 30 CGEDHN C[C@@H](NCc1ccncc1C#N)[C@H](C)c1ccccc1 ZINC000592098308 346962868 /nfs/dbraw/zinc/96/28/68/346962868.db2.gz OLLOUBPWCKPSSN-UONOGXRCSA-N 0 3 265.360 3.235 20 30 CGEDHN CC(C)c1ccc([C@H](C)N2CC[C@@](O)(CC#N)C2)cc1 ZINC000592151321 346967984 /nfs/dbraw/zinc/96/79/84/346967984.db2.gz LNVKWHYBJNVZIM-YOEHRIQHSA-N 0 3 272.392 3.221 20 30 CGEDHN CC(C)[C@@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000592103779 346963767 /nfs/dbraw/zinc/96/37/67/346963767.db2.gz LDWUNTBUZIMKID-HOTGVXAUSA-N 0 3 257.381 3.258 20 30 CGEDHN C[C@@]1(Cc2ccccc2F)CCCN1CCOCCC#N ZINC000592143821 346966625 /nfs/dbraw/zinc/96/66/25/346966625.db2.gz QNLDPKIKBKHYHE-KRWDZBQOSA-N 0 3 290.382 3.153 20 30 CGEDHN COc1ccccc1C1(N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000592393321 346982469 /nfs/dbraw/zinc/98/24/69/346982469.db2.gz GFZFPAODBMKBTH-ZIAGYGMSSA-N 0 3 270.376 3.356 20 30 CGEDHN CC(=O)Nc1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000592516803 346994636 /nfs/dbraw/zinc/99/46/36/346994636.db2.gz GWYSLSXJIJCFIH-UHFFFAOYSA-N 0 3 285.391 3.161 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000593019419 347027856 /nfs/dbraw/zinc/02/78/56/347027856.db2.gz GTRZWLAGRAEKHH-UHFFFAOYSA-N 0 3 261.325 3.085 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593117982 347041895 /nfs/dbraw/zinc/04/18/95/347041895.db2.gz UOZFKOLUCDEXNS-SMDDNHRTSA-N 0 3 262.303 3.350 20 30 CGEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000030148956 344921279 /nfs/dbraw/zinc/92/12/79/344921279.db2.gz GRDXMAJLONFUON-LLVKDONJSA-N 0 3 293.798 3.126 20 30 CGEDHN CCCCN(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000052877611 345109692 /nfs/dbraw/zinc/10/96/92/345109692.db2.gz ZIZWFUNGRBQADJ-UHFFFAOYSA-N 0 3 287.407 3.055 20 30 CGEDHN C=CCNC(=O)CN[C@H](C)c1ccc([C@H](C)CC)cc1 ZINC000623946144 349924807 /nfs/dbraw/zinc/92/48/07/349924807.db2.gz OKJFLDGEXYFXKL-ZIAGYGMSSA-N 0 3 274.408 3.153 20 30 CGEDHN N#Cc1cccc(CN2CCN(CC3CCCCC3)CC2)c1 ZINC000064129504 345257326 /nfs/dbraw/zinc/25/73/26/345257326.db2.gz QSFMSYKFJLIJMK-UHFFFAOYSA-N 0 3 297.446 3.256 20 30 CGEDHN C[C@@H](COc1cccc(F)c1)NCc1ccc(C#N)cc1 ZINC000060527567 345218449 /nfs/dbraw/zinc/21/84/49/345218449.db2.gz FVERFZQARIWIMP-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1)Oc1ccccc1 ZINC000073006190 232173830 /nfs/dbraw/zinc/17/38/30/232173830.db2.gz RWHJCPYRNZGRMC-CQSZACIVSA-N 0 3 266.344 3.115 20 30 CGEDHN C=CCOc1ccc(CN(CCO)CC2CC2)cc1Cl ZINC000092505819 345842563 /nfs/dbraw/zinc/84/25/63/345842563.db2.gz SBJSOCADQQLPTB-UHFFFAOYSA-N 0 3 295.810 3.109 20 30 CGEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)cs1 ZINC000092063915 345829172 /nfs/dbraw/zinc/82/91/72/345829172.db2.gz BCOFGQFGZKVYHJ-YVEFUNNKSA-N 0 3 298.411 3.444 20 30 CGEDHN C=CCOc1ccc(CN(CC)C[C@@H]2CCCO2)cc1 ZINC000092406774 345837921 /nfs/dbraw/zinc/83/79/21/345837921.db2.gz CFDCJGXQZMGPTE-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623996529 349940158 /nfs/dbraw/zinc/94/01/58/349940158.db2.gz JNYCQCKCYZGYLT-ZBFHGGJFSA-N 0 3 299.418 3.065 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC000127523195 187313306 /nfs/dbraw/zinc/31/33/06/187313306.db2.gz QPHOUKQRNXMJKU-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN CCN(CCCOc1cccc(C#N)c1)Cc1ccoc1 ZINC000156024926 346156825 /nfs/dbraw/zinc/15/68/25/346156825.db2.gz OEIMZKZNHKNIOE-UHFFFAOYSA-N 0 3 284.359 3.442 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)c1cccc(CN(C)C)c1 ZINC000178769162 232396969 /nfs/dbraw/zinc/39/69/69/232396969.db2.gz QGKORZYOTRVQSU-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN CCOc1ccc([C@@H](C)NCCCC#N)cc1OCC ZINC000177800406 346251479 /nfs/dbraw/zinc/25/14/79/346251479.db2.gz GXSBAPGMQODZNB-CYBMUJFWSA-N 0 3 276.380 3.438 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000624014135 349947063 /nfs/dbraw/zinc/94/70/63/349947063.db2.gz RVGOCCGXUDQRID-HNNXBMFYSA-N 0 3 299.418 3.330 20 30 CGEDHN CC[C@H](C#N)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000593536703 347091011 /nfs/dbraw/zinc/09/10/11/347091011.db2.gz AJFLMSFKBDGJGZ-OAHLLOKOSA-N 0 3 285.391 3.079 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000335999274 346497715 /nfs/dbraw/zinc/49/77/15/346497715.db2.gz NPQCCLPZZXUIDR-GWCFXTLKSA-N 0 3 262.740 3.163 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 ZINC000397852343 346585556 /nfs/dbraw/zinc/58/55/56/346585556.db2.gz SEFFVYHTXZRCBV-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000397867637 346585586 /nfs/dbraw/zinc/58/55/86/346585586.db2.gz WQMVERMKGMXOSX-CABCVRRESA-N 0 3 262.397 3.104 20 30 CGEDHN C[C@H]1CC[C@@]2(CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000584722477 346710076 /nfs/dbraw/zinc/71/00/76/346710076.db2.gz NZSRLNLORLGYHL-SUMWQHHRSA-N 0 3 299.374 3.479 20 30 CGEDHN C[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584616785 346694004 /nfs/dbraw/zinc/69/40/04/346694004.db2.gz LPYJICLYBNOWID-FZMZJTMJSA-N 0 3 273.336 3.135 20 30 CGEDHN CC[C@H](N[C@H](C)COCC1CC1)c1ccc(C#N)cc1 ZINC000593724183 347108499 /nfs/dbraw/zinc/10/84/99/347108499.db2.gz YOBTVYMKQFOGRB-DYVFJYSZSA-N 0 3 272.392 3.414 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(F)(F)[C@H](C)C1 ZINC000589278465 346792051 /nfs/dbraw/zinc/79/20/51/346792051.db2.gz SJWOERKQWQKRNI-GFCCVEGCSA-N 0 3 264.319 3.344 20 30 CGEDHN CC1(C)CC[C@@H](CNC2(c3ccc(C#N)cc3)CCC2)O1 ZINC000594032891 347140963 /nfs/dbraw/zinc/14/09/63/347140963.db2.gz COFSSMRUVJWOFN-INIZCTEOSA-N 0 3 284.403 3.485 20 30 CGEDHN CC(C)(C#N)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033397 347141163 /nfs/dbraw/zinc/14/11/63/347141163.db2.gz OXPGCLBAJLXVDA-UHFFFAOYSA-N 0 3 267.376 3.467 20 30 CGEDHN N#Cc1ccc(C2(NCCC(F)(F)F)CCC2)cc1 ZINC000594032689 347141207 /nfs/dbraw/zinc/14/12/07/347141207.db2.gz ZTMXHUVGJPTLGZ-UHFFFAOYSA-N 0 3 268.282 3.479 20 30 CGEDHN C[C@H](NC[C@@H](C#N)CCC#N)C1CCC(F)(F)CC1 ZINC000594043109 347143520 /nfs/dbraw/zinc/14/35/20/347143520.db2.gz GBXQRBCNGRIWEF-NWDGAFQWSA-N 0 3 269.339 3.234 20 30 CGEDHN CCC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594424644 347173846 /nfs/dbraw/zinc/17/38/46/347173846.db2.gz CHNMABQUBKXITB-CVEARBPZSA-N 0 3 287.407 3.055 20 30 CGEDHN Cc1cccc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)c1 ZINC000594427276 347174034 /nfs/dbraw/zinc/17/40/34/347174034.db2.gz HSXCSRJOSSGCJO-SJORKVTESA-N 0 3 299.418 3.070 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000594432719 347174483 /nfs/dbraw/zinc/17/44/83/347174483.db2.gz AXIFLGGVNCMPOB-DLBZAZTESA-N 0 3 299.418 3.055 20 30 CGEDHN CC1(C)CC(NC(=O)[C@H](N)CCCCC#N)CC(C)(C)C1 ZINC000594437960 347174824 /nfs/dbraw/zinc/17/48/24/347174824.db2.gz QORBFQMYOWKPBA-CQSZACIVSA-N 0 3 293.455 3.119 20 30 CGEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cc[nH]c(=O)c1 ZINC000594516859 347186250 /nfs/dbraw/zinc/18/62/50/347186250.db2.gz GMBBBKQVZASBMQ-ZDUSSCGKSA-N 0 3 295.386 3.439 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000594995500 347252143 /nfs/dbraw/zinc/25/21/43/347252143.db2.gz MOYWJZUXMWXPKF-QGZVFWFLSA-N 0 3 290.382 3.382 20 30 CGEDHN C=CCCSCCNCc1ccccc1OC ZINC000594960855 347241709 /nfs/dbraw/zinc/24/17/09/347241709.db2.gz XVXVXYMACOELJW-UHFFFAOYSA-N 0 3 251.395 3.094 20 30 CGEDHN CO[C@@]1(C)C[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000595109109 347285131 /nfs/dbraw/zinc/28/51/31/347285131.db2.gz UEBGXNPADLAQRB-BBWFWOEESA-N 0 3 270.376 3.093 20 30 CGEDHN CO[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000595408836 347299230 /nfs/dbraw/zinc/29/92/30/347299230.db2.gz TZZFVAZWMKWJND-LJQANCHMSA-N 0 3 296.414 3.462 20 30 CGEDHN Cc1cc(CN[C@@H](c2ccccc2)[C@@H](C)O)ccc1C#N ZINC000595005909 347254319 /nfs/dbraw/zinc/25/43/19/347254319.db2.gz FTTCAWQONACVHX-RDTXWAMCSA-N 0 3 280.371 3.078 20 30 CGEDHN C=CCCSCCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000595060564 347273922 /nfs/dbraw/zinc/27/39/22/347273922.db2.gz VOSCXAJICXYMIN-YJYMSZOUSA-N 0 3 297.489 3.384 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cccc(O)c1 ZINC000595060177 347273929 /nfs/dbraw/zinc/27/39/29/347273929.db2.gz UCBYLKYXBYUDRQ-LBPRGKRZSA-N 0 3 251.395 3.352 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000595060562 347274224 /nfs/dbraw/zinc/27/42/24/347274224.db2.gz VOSCXAJICXYMIN-DJJJIMSYSA-N 0 3 297.489 3.384 20 30 CGEDHN CC[C@@H](NCCO[C@@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000595069636 347276943 /nfs/dbraw/zinc/27/69/43/347276943.db2.gz OQUQSJLOMWHQEG-ZIAGYGMSSA-N 0 3 280.318 3.023 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccc(C#N)cc1F ZINC000595078808 347279067 /nfs/dbraw/zinc/27/90/67/347279067.db2.gz GCTIXOOQARZHJV-BZPMIXESSA-N 0 3 276.355 3.306 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cccnc3CC2)CCCCC1 ZINC000595091403 347281368 /nfs/dbraw/zinc/28/13/68/347281368.db2.gz QCUKMPKAJLMALM-MRXNPFEDSA-N 0 3 283.419 3.393 20 30 CGEDHN N#CC[C@H]1CCCN(CCCOc2ccc(F)cc2)C1 ZINC000595610894 347326271 /nfs/dbraw/zinc/32/62/71/347326271.db2.gz COLFWMIOODBODI-CQSZACIVSA-N 0 3 276.355 3.220 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CC#N)C1 ZINC000595623104 347329117 /nfs/dbraw/zinc/32/91/17/347329117.db2.gz HMELHIHTPNOUAF-UONOGXRCSA-N 0 3 253.349 3.245 20 30 CGEDHN CC(C)(C#N)CCCCN1CCO[C@](C)(C2CC2)C1 ZINC000595625758 347329777 /nfs/dbraw/zinc/32/97/77/347329777.db2.gz NOIXMMVCDMVCKT-INIZCTEOSA-N 0 3 264.413 3.207 20 30 CGEDHN CCC(C)(C)[C@@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595643245 347332572 /nfs/dbraw/zinc/33/25/72/347332572.db2.gz WIRQGJRLYXYCJA-LLVKDONJSA-N 0 3 275.352 3.381 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000595657719 347334281 /nfs/dbraw/zinc/33/42/81/347334281.db2.gz BBBHHRPIOHSBBF-CYBMUJFWSA-N 0 3 258.340 3.485 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCC2(C#N)CCC2)C12CCC2 ZINC000595777610 347354352 /nfs/dbraw/zinc/35/43/52/347354352.db2.gz IAXSXXHMOPYQEA-ZIAGYGMSSA-N 0 3 276.424 3.396 20 30 CGEDHN C=CCC1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCCC1 ZINC000595780307 347354997 /nfs/dbraw/zinc/35/49/97/347354997.db2.gz QWIXZOYELDTMCU-UHFFFAOYSA-N 0 3 285.347 3.445 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000595779075 347355074 /nfs/dbraw/zinc/35/50/74/347355074.db2.gz YSSOHOYHMRNYPR-JKSUJKDBSA-N 0 3 299.418 3.169 20 30 CGEDHN C=CCC1(NCc2ccc(C(=O)OCC)o2)CCCC1 ZINC000595780482 347355415 /nfs/dbraw/zinc/35/54/15/347355415.db2.gz SPEQSAZUZNDKRM-UHFFFAOYSA-N 0 3 277.364 3.435 20 30 CGEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(C#N)c1 ZINC000595856798 347368206 /nfs/dbraw/zinc/36/82/06/347368206.db2.gz FKCHZUWHRZCEOJ-PHTAMDTFSA-N 0 3 258.340 3.460 20 30 CGEDHN C=C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597003553 347526831 /nfs/dbraw/zinc/52/68/31/347526831.db2.gz QNNBHPBGOMFEFZ-UHFFFAOYSA-N 0 3 252.361 3.394 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012962 347527711 /nfs/dbraw/zinc/52/77/11/347527711.db2.gz GDQYZOOWYSFSCV-CVEARBPZSA-N 0 3 297.446 3.156 20 30 CGEDHN CO[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1C ZINC000597110713 347535334 /nfs/dbraw/zinc/53/53/34/347535334.db2.gz KIYUHUVBXLOLDD-YOEHRIQHSA-N 0 3 284.403 3.099 20 30 CGEDHN CC[C@H](C)N1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597143105 347539882 /nfs/dbraw/zinc/53/98/82/347539882.db2.gz DASLONPUGCPVHZ-INIZCTEOSA-N 0 3 297.446 3.158 20 30 CGEDHN Cc1cccc(C)c1[C@H]1CCCN1C(=O)C(C)C#N ZINC000597883189 347598413 /nfs/dbraw/zinc/59/84/13/347598413.db2.gz CVXSIQDVMRSFDZ-UONOGXRCSA-N 0 3 256.349 3.127 20 30 CGEDHN C[C@@H](NCC[C@H]1CC1(F)F)c1ccc(C#N)cc1F ZINC000598678890 347677945 /nfs/dbraw/zinc/67/79/45/347677945.db2.gz AGADHSHRZCMFJU-KOLCDFICSA-N 0 3 268.282 3.393 20 30 CGEDHN CCN(Cc1ccc(Cl)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598586294 347666638 /nfs/dbraw/zinc/66/66/38/347666638.db2.gz DUFBYHSCXIMDFM-OAHLLOKOSA-N 0 3 294.826 3.463 20 30 CGEDHN C[C@@H](c1cccs1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598586426 347666750 /nfs/dbraw/zinc/66/67/50/347666750.db2.gz UPXGEFMIPUWWMH-RYUDHWBXSA-N 0 3 266.410 3.042 20 30 CGEDHN COC[C@@H](C)N(CCCC#N)[C@@H]1CCc2ccccc21 ZINC000599683570 347766334 /nfs/dbraw/zinc/76/63/34/347766334.db2.gz RGSUBACYBSXJCU-RHSMWYFYSA-N 0 3 272.392 3.315 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1Cl ZINC000599311441 347734547 /nfs/dbraw/zinc/73/45/47/347734547.db2.gz IEDLPNFKKQUJCC-NEPJUHHUSA-N 0 3 278.783 3.045 20 30 CGEDHN CCO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599348623 347738134 /nfs/dbraw/zinc/73/81/34/347738134.db2.gz HWQPPLXQRZBZMU-LRDDRELGSA-N 0 3 258.365 3.024 20 30 CGEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cc(F)ccc1F ZINC000599356255 347738774 /nfs/dbraw/zinc/73/87/74/347738774.db2.gz KMXSNNIJHZLMIP-IUODEOHRSA-N 0 3 294.345 3.060 20 30 CGEDHN CC1(C)CCC(C)(C)N(Cc2ccnc(C#N)c2)C1 ZINC000599538272 347752604 /nfs/dbraw/zinc/75/26/04/347752604.db2.gz MDSGNNDQMSCKJN-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(O)cc3)C2)c(F)c1 ZINC000600213404 347793929 /nfs/dbraw/zinc/79/39/29/347793929.db2.gz DPUZKDAXWSMVLD-HNNXBMFYSA-N 0 3 296.345 3.392 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NC(=O)C(C)C#N)c2ccccc21 ZINC000600415798 347799980 /nfs/dbraw/zinc/79/99/80/347799980.db2.gz QVSPSOCIRDGZHO-CQDKDKBSSA-N 0 3 256.349 3.147 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC000600688753 347828710 /nfs/dbraw/zinc/82/87/10/347828710.db2.gz QHBLQLKPUODXFB-ZDUSSCGKSA-N 0 3 280.371 3.393 20 30 CGEDHN CC(C)(CCC#N)CNCc1cnc2ccccc2n1 ZINC000600165228 347787423 /nfs/dbraw/zinc/78/74/23/347787423.db2.gz IUZJZXDKHNEDFS-UHFFFAOYSA-N 0 3 268.364 3.049 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600185836 347791033 /nfs/dbraw/zinc/79/10/33/347791033.db2.gz NNMMPBDDYGHTQY-ZDUSSCGKSA-N 0 3 260.337 3.301 20 30 CGEDHN CN(C)Cc1cccc(NCc2cccc(C#N)c2F)c1 ZINC000600850968 347841082 /nfs/dbraw/zinc/84/10/82/347841082.db2.gz VMYRQZCFJVFYAD-UHFFFAOYSA-N 0 3 283.350 3.371 20 30 CGEDHN CN(C)Cc1cccc(NCc2cccc(F)c2C#N)c1 ZINC000600850141 347841129 /nfs/dbraw/zinc/84/11/29/347841129.db2.gz SRJUFMFKMGEAAP-UHFFFAOYSA-N 0 3 283.350 3.371 20 30 CGEDHN CC[C@@H](NCCCC#N)c1cccc(OC)c1OC ZINC000601277511 347888163 /nfs/dbraw/zinc/88/81/63/347888163.db2.gz WSTSBWQZOWKVKK-CYBMUJFWSA-N 0 3 262.353 3.048 20 30 CGEDHN N#CC1CCC(CNCc2nc3cc(F)ccc3o2)CC1 ZINC000602017441 347933099 /nfs/dbraw/zinc/93/30/99/347933099.db2.gz QMOUMERNGYFULE-UHFFFAOYSA-N 0 3 287.338 3.386 20 30 CGEDHN CC(C#N)C(=O)NC[C@]1(Cc2ccccc2)C=CCCC1 ZINC000601746926 347911457 /nfs/dbraw/zinc/91/14/57/347911457.db2.gz WBCPPRJIOIVJBP-CRAIPNDOSA-N 0 3 282.387 3.231 20 30 CGEDHN C[C@@H](CC1CCC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000601868851 347920797 /nfs/dbraw/zinc/92/07/97/347920797.db2.gz HOEHNIKHSSIGRB-WMLDXEAASA-N 0 3 284.403 3.454 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000602430382 347956168 /nfs/dbraw/zinc/95/61/68/347956168.db2.gz ZUNWADZQMAJWTN-CQSZACIVSA-N 0 3 291.826 3.402 20 30 CGEDHN C[C@@H](CCC#N)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602438503 347958165 /nfs/dbraw/zinc/95/81/65/347958165.db2.gz DTQMHKPMFUGHTD-ZDUSSCGKSA-N 0 3 287.363 3.499 20 30 CGEDHN CC(C)(C)C[C@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602454707 347961077 /nfs/dbraw/zinc/96/10/77/347961077.db2.gz RUUIQNUVTHSDSM-OAHLLOKOSA-N 0 3 257.381 3.354 20 30 CGEDHN COc1ccc(CN(C)C)cc1NC[C@H](C)CCC#N ZINC000602491245 347968488 /nfs/dbraw/zinc/96/84/88/347968488.db2.gz ICYCOKSXWFWLQA-CYBMUJFWSA-N 0 3 275.396 3.109 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(F)cc1 ZINC000602503933 347971254 /nfs/dbraw/zinc/97/12/54/347971254.db2.gz PGYLDXUQZDBDGK-CYBMUJFWSA-N 0 3 276.355 3.014 20 30 CGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC1(CC#N)CC1 ZINC000602780293 348027563 /nfs/dbraw/zinc/02/75/63/348027563.db2.gz GJCSQCVWNOVOHI-QGZVFWFLSA-N 0 3 297.446 3.277 20 30 CGEDHN N#CCC[C@@H](NCCC[C@H]1CCO1)c1ccccc1 ZINC000602580211 347987104 /nfs/dbraw/zinc/98/71/04/347987104.db2.gz FJOIJRYQYGKHDY-JKSUJKDBSA-N 0 3 258.365 3.190 20 30 CGEDHN N#CCC[C@H](NCCC[C@@H]1CCO1)c1ccccc1 ZINC000602580208 347987510 /nfs/dbraw/zinc/98/75/10/347987510.db2.gz FJOIJRYQYGKHDY-CVEARBPZSA-N 0 3 258.365 3.190 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000602673166 348006004 /nfs/dbraw/zinc/00/60/04/348006004.db2.gz OXSQQMACLCPEOK-GJZGRUSLSA-N 0 3 289.398 3.276 20 30 CGEDHN Cc1nocc1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000602677341 348007593 /nfs/dbraw/zinc/00/75/93/348007593.db2.gz XVNWFOCZDWLEBM-UHFFFAOYSA-N 0 3 295.386 3.477 20 30 CGEDHN CC[C@@H](Cc1ccc(F)cc1)NCc1cccc(C#N)n1 ZINC000602704501 348013745 /nfs/dbraw/zinc/01/37/45/348013745.db2.gz GQQMIZSZIDVZHX-HNNXBMFYSA-N 0 3 283.350 3.203 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000602725970 348018563 /nfs/dbraw/zinc/01/85/63/348018563.db2.gz NXNKOAIUBNFVES-OAHLLOKOSA-N 0 3 296.418 3.230 20 30 CGEDHN CN(Cc1ccccc1N1CCCC1)CC1(CC#N)CC1 ZINC000602760057 348024695 /nfs/dbraw/zinc/02/46/95/348024695.db2.gz VPSRGMABSUMAKU-UHFFFAOYSA-N 0 3 283.419 3.412 20 30 CGEDHN CCc1ccc([C@@H](COC)NC2CCC(C#N)CC2)o1 ZINC000602546284 347979302 /nfs/dbraw/zinc/97/93/02/347979302.db2.gz IUBQOSKVMMVNDJ-SSDMNJCBSA-N 0 3 276.380 3.201 20 30 CGEDHN Cc1ccc(C[C@H](C)NCc2cccc(C#N)n2)c(C)c1 ZINC000602545673 347979325 /nfs/dbraw/zinc/97/93/25/347979325.db2.gz NLCRJGMQWRLWTN-HNNXBMFYSA-N 0 3 279.387 3.291 20 30 CGEDHN CC[C@H](CNCc1cccc(C#N)n1)Oc1cccc(F)c1 ZINC000602561121 347982096 /nfs/dbraw/zinc/98/20/96/347982096.db2.gz CVZGOUHYVRXHAY-MRXNPFEDSA-N 0 3 299.349 3.040 20 30 CGEDHN N#CCC1(CN[C@H](c2cccs2)C2(CO)CCC2)CC1 ZINC000602835927 348034534 /nfs/dbraw/zinc/03/45/34/348034534.db2.gz AGWVUGOGRUIRTF-CQSZACIVSA-N 0 3 290.432 3.235 20 30 CGEDHN C=CCC1(NCc2cnc(C(=O)OCC)s2)CCCC1 ZINC000602893507 348040724 /nfs/dbraw/zinc/04/07/24/348040724.db2.gz CBYULAJHKLUBSU-UHFFFAOYSA-N 0 3 294.420 3.298 20 30 CGEDHN N#Cc1cccc(CN2CCC(c3ccc(F)cn3)CC2)c1 ZINC000602902350 348041920 /nfs/dbraw/zinc/04/19/20/348041920.db2.gz BSDVOODIOXEBMP-UHFFFAOYSA-N 0 3 295.361 3.472 20 30 CGEDHN C=CCNC(=O)CN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000606452003 348185307 /nfs/dbraw/zinc/18/53/07/348185307.db2.gz BGRCOZFSQQDPQF-MAUKXSAKSA-N 0 3 286.419 3.070 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000609920328 348357808 /nfs/dbraw/zinc/35/78/08/348357808.db2.gz GHYUXMYMPCWQMT-RYUDHWBXSA-N 0 3 299.399 3.162 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350558 348440789 /nfs/dbraw/zinc/44/07/89/348440789.db2.gz QNTZYOZLFHCSMO-MSOLQXFVSA-N 0 3 284.403 3.197 20 30 CGEDHN C[C@@H](NCC[S@](=O)c1ccccc1)c1cccc(C#N)c1 ZINC000611388625 348443934 /nfs/dbraw/zinc/44/39/34/348443934.db2.gz QASUQXQZRQDQFA-SZNDQCEHSA-N 0 3 298.411 3.017 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(O)cc1 ZINC000611392518 348445315 /nfs/dbraw/zinc/44/53/15/348445315.db2.gz RWFZMZWEOLQWRX-GOSISDBHSA-N 0 3 278.355 3.431 20 30 CGEDHN C=CCOc1ccc(CN2CCCSCC2)cc1OC ZINC000273402410 192139051 /nfs/dbraw/zinc/13/90/51/192139051.db2.gz MOSNYRLQPAWOTQ-UHFFFAOYSA-N 0 3 293.432 3.199 20 30 CGEDHN CC(C)CCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551288 348460206 /nfs/dbraw/zinc/46/02/06/348460206.db2.gz PBBSONSZOQIQJB-QGZVFWFLSA-N 0 3 289.398 3.054 20 30 CGEDHN CCN1CCC[C@@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC000613409401 348598448 /nfs/dbraw/zinc/59/84/48/348598448.db2.gz ZKJNLZYQXKBKKB-CQSZACIVSA-N 0 3 286.423 3.147 20 30 CGEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](NCC(C)(C)C#N)CC3 ZINC000613145964 348568466 /nfs/dbraw/zinc/56/84/66/348568466.db2.gz XLHYXLMNWGSYKY-GFCCVEGCSA-N 0 3 297.402 3.173 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000273458311 192159265 /nfs/dbraw/zinc/15/92/65/192159265.db2.gz PZQYIFGCLPUYCH-SCZZXKLOSA-N 0 3 289.206 3.163 20 30 CGEDHN CC(C)(C#N)CNCCCCCOc1ccccc1 ZINC000615136375 348716957 /nfs/dbraw/zinc/71/69/57/348716957.db2.gz RTZDXKTXZCBILE-UHFFFAOYSA-N 0 3 260.381 3.375 20 30 CGEDHN CC(C)C1(NCc2ccc(C#N)cc2OC(F)F)CC1 ZINC000339505892 215217764 /nfs/dbraw/zinc/21/77/64/215217764.db2.gz FGPIRASBIMNWLG-UHFFFAOYSA-N 0 3 280.318 3.438 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(SC)c(OC)c1 ZINC000273480732 192168235 /nfs/dbraw/zinc/16/82/35/192168235.db2.gz UQJROVUCUUODEF-YPMHNXCESA-N 0 3 281.421 3.005 20 30 CGEDHN C[C@@H](NCC[C@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000358438338 233133212 /nfs/dbraw/zinc/13/32/12/233133212.db2.gz WIORCXQTRUSTTH-TZMCWYRMSA-N 0 3 276.355 3.307 20 30 CGEDHN Cc1nc(CCN[C@@H](C)c2ccc(C#N)cc2F)c(C)o1 ZINC000358568371 233157400 /nfs/dbraw/zinc/15/74/00/233157400.db2.gz KVIIWJIBQLGAKF-JTQLQIEISA-N 0 3 287.338 3.196 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618568101 349107425 /nfs/dbraw/zinc/10/74/25/349107425.db2.gz NDPJYXASVSETIO-GVXVVHGQSA-N 0 3 284.363 3.001 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccc(F)cc32)C1 ZINC000618571681 349109100 /nfs/dbraw/zinc/10/91/00/349109100.db2.gz JUYVJKRZIZNTSJ-DJSGYFEHSA-N 0 3 258.340 3.485 20 30 CGEDHN Cn1cc(CN[C@H]2CCCc3ccc(F)cc32)cc1C#N ZINC000279769780 282645104 /nfs/dbraw/zinc/64/51/04/282645104.db2.gz KEDNZHIUPFQQQP-KRWDZBQOSA-N 0 3 283.350 3.203 20 30 CGEDHN N#Cc1ccc(OCCNCc2cc3ccccc3[nH]2)cc1 ZINC000618967884 349188186 /nfs/dbraw/zinc/18/81/86/349188186.db2.gz YBLIKDSVHSGFFQ-UHFFFAOYSA-N 0 3 291.354 3.208 20 30 CGEDHN C=CCOCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508556 349254665 /nfs/dbraw/zinc/25/46/65/349254665.db2.gz LKYZZJYFZNOVJS-QGZVFWFLSA-N 0 3 270.376 3.118 20 30 CGEDHN Cc1noc(C)c1[C@H](C)NCCCC1(C#N)CCOCC1 ZINC000619621109 349262718 /nfs/dbraw/zinc/26/27/18/349262718.db2.gz FXPOKRHJASWYRG-LBPRGKRZSA-N 0 3 291.395 3.043 20 30 CGEDHN C=CCN(C[C@@H](OC)c1ccc(F)cc1)[C@H](C)COC ZINC000625530136 350181340 /nfs/dbraw/zinc/18/13/40/350181340.db2.gz IXBQUWDODBVLFY-CZUORRHYSA-N 0 3 281.371 3.036 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(OC(C)C)ccn2)C1 ZINC000625704111 350200536 /nfs/dbraw/zinc/20/05/36/350200536.db2.gz VQNPTTBVBZDNJR-CQSZACIVSA-N 0 3 260.381 3.267 20 30 CGEDHN C=CCC1(NCc2nnc(C)n2CCC)CCCCC1 ZINC000625934954 350233119 /nfs/dbraw/zinc/23/31/19/350233119.db2.gz HGPGBWRVJLLNGY-UHFFFAOYSA-N 0 3 276.428 3.365 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000630579001 350855234 /nfs/dbraw/zinc/85/52/34/350855234.db2.gz MRNHGRSRSDRUSI-KRWDZBQOSA-N 0 3 298.430 3.296 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000630806965 350890808 /nfs/dbraw/zinc/89/08/08/350890808.db2.gz CKFPJWHOYPHCKO-WBVHZDCISA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCOCCCN[C@@H](CCC)c1cc(C)ccn1 ZINC000631647084 351104741 /nfs/dbraw/zinc/10/47/41/351104741.db2.gz RPKFEDTURXGMFV-HNNXBMFYSA-N 0 3 262.397 3.414 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 ZINC000291654788 198051698 /nfs/dbraw/zinc/05/16/98/198051698.db2.gz DGPHIMWHTGDMMS-YVEFUNNKSA-N 0 3 298.411 3.412 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@@H](C)CCSC ZINC000123075778 187069944 /nfs/dbraw/zinc/06/99/44/187069944.db2.gz ZOGAMRHRJFLILD-LBPRGKRZSA-N 0 3 278.421 3.140 20 30 CGEDHN C=CCN(C[C@H](O)c1cccc(Cl)c1)C1CC1 ZINC000271457182 191148740 /nfs/dbraw/zinc/14/87/40/191148740.db2.gz PDKSFLWOFMJRQK-AWEZNQCLSA-N 0 3 251.757 3.024 20 30 CGEDHN CC#CCCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000155046606 188178365 /nfs/dbraw/zinc/17/83/65/188178365.db2.gz HHCTXIGHTCJXOK-UHFFFAOYSA-N 0 3 285.387 3.003 20 30 CGEDHN CSC[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000292474305 198302228 /nfs/dbraw/zinc/30/22/28/198302228.db2.gz RPQXQPFLJOCPAM-OAHLLOKOSA-N 0 3 290.432 3.012 20 30 CGEDHN C#CCN[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000157198793 188302821 /nfs/dbraw/zinc/30/28/21/188302821.db2.gz WEOWZKIYSODBMB-NSHDSACASA-N 0 3 256.374 3.402 20 30 CGEDHN CN(CCOc1ccc(F)cc1)CCC(C)(C)C#N ZINC000157471826 188320326 /nfs/dbraw/zinc/32/03/26/188320326.db2.gz PSNDMKIRJWJABA-UHFFFAOYSA-N 0 3 264.344 3.076 20 30 CGEDHN C[C@H](F)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000375713265 234764482 /nfs/dbraw/zinc/76/44/82/234764482.db2.gz BQDUSIZHCASGMR-ZDUSSCGKSA-N 0 3 276.355 3.150 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc3c(c2)OCCCCO3)C1 ZINC000333461506 283059611 /nfs/dbraw/zinc/05/96/11/283059611.db2.gz GOAVQIQTZDOWHI-HIFRSBDPSA-N 0 3 286.375 3.020 20 30 CGEDHN C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000271868254 191379043 /nfs/dbraw/zinc/37/90/43/191379043.db2.gz MASPPYRFEOVDBC-ACJLOTCBSA-N 0 3 298.361 3.256 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)cc1F ZINC000414350648 235394158 /nfs/dbraw/zinc/39/41/58/235394158.db2.gz QTKHRYJJZVDGMK-WDBKCZKBSA-N 0 3 270.307 3.497 20 30 CGEDHN Cc1ccnc(N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1C#N ZINC000439127562 238229929 /nfs/dbraw/zinc/22/99/29/238229929.db2.gz KODZGHXIPRXPRL-PBHICJAKSA-N 0 3 294.402 3.365 20 30 CGEDHN C[C@]1(CCCO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000439436599 238255884 /nfs/dbraw/zinc/25/58/84/238255884.db2.gz IMVJOHBRWNLKNP-MRXNPFEDSA-N 0 3 292.810 3.339 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000179677370 189212925 /nfs/dbraw/zinc/21/29/25/189212925.db2.gz KGXCPEIDKWVGGL-ZBFHGGJFSA-N 0 3 277.408 3.452 20 30 CGEDHN CCCN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191172282 542258921 /nfs/dbraw/zinc/25/89/21/542258921.db2.gz ATBWDMMYZNVHLX-UHFFFAOYSA-N 0 3 267.376 3.309 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@@H](CCO)C2CCCCC2)c1 ZINC000181505518 189298631 /nfs/dbraw/zinc/29/86/31/189298631.db2.gz XLCTYCKOMLKOLB-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@H]1CCCN(CCNc2ccc(Cl)cc2C#N)C1 ZINC000301519526 201043929 /nfs/dbraw/zinc/04/39/29/201043929.db2.gz KVGMNCHYLGIJCD-LBPRGKRZSA-N 0 3 277.799 3.355 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)C(C)(C)CN(C)C)c1 ZINC000302083875 201338431 /nfs/dbraw/zinc/33/84/31/201338431.db2.gz DFSPSMZBRQLTCP-CYBMUJFWSA-N 0 3 287.407 3.149 20 30 CGEDHN COc1cc(C#N)ccc1CN[C@@H]1CC(C)(C)OC1(C)C ZINC000119901207 370720403 /nfs/dbraw/zinc/72/04/03/370720403.db2.gz XIVGNUQSQZAINN-OAHLLOKOSA-N 0 3 288.391 3.003 20 30 CGEDHN COc1ccccc1CCN(C)Cc1ccc(F)c(C#N)c1 ZINC000119961763 370726117 /nfs/dbraw/zinc/72/61/17/370726117.db2.gz CYIHSSRPINUQCB-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN CCC(CC)N(CCOC)Cc1ccc(C#N)cc1OC ZINC000120827509 370804744 /nfs/dbraw/zinc/80/47/44/370804744.db2.gz FQCQFTYFJWAKKM-UHFFFAOYSA-N 0 3 290.407 3.204 20 30 CGEDHN CN(C)[C@H](CNc1cccc(F)c1C#N)c1ccsc1 ZINC000045733264 369285024 /nfs/dbraw/zinc/28/50/24/369285024.db2.gz YTLFYBPKIWTKMI-OAHLLOKOSA-N 0 3 289.379 3.474 20 30 CGEDHN N#CC(C(=O)c1cccc(OC(F)F)c1)c1ccccn1 ZINC000046439736 369294056 /nfs/dbraw/zinc/29/40/56/369294056.db2.gz OBDOWEKORKXEIS-GFCCVEGCSA-N 0 3 288.253 3.173 20 30 CGEDHN CC(C)(C)N1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000048566611 369359503 /nfs/dbraw/zinc/35/95/03/369359503.db2.gz MHUCHYGPKGLVDW-UHFFFAOYSA-N 0 3 298.843 3.343 20 30 CGEDHN CCN(Cc1cccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048970453 369378349 /nfs/dbraw/zinc/37/83/49/369378349.db2.gz JTVXUDHKUNFNEH-MRXNPFEDSA-N 0 3 286.400 3.175 20 30 CGEDHN CC[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCS1 ZINC000076071766 369929247 /nfs/dbraw/zinc/92/92/47/369929247.db2.gz ZFPDRUFZPYMVMI-WFASDCNBSA-N 0 3 260.406 3.447 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000076734024 369941744 /nfs/dbraw/zinc/94/17/44/369941744.db2.gz JLRCVYLUWOLYEE-CQSZACIVSA-N 0 3 290.407 3.229 20 30 CGEDHN C[C@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CN1C1CC1 ZINC000090665834 370063244 /nfs/dbraw/zinc/06/32/44/370063244.db2.gz HKYXBIGXNVAWJD-LESCRADOSA-N 0 3 283.419 3.246 20 30 CGEDHN CN(CCCC(C)(C)C#N)CCN(C)C(=O)OC(C)(C)C ZINC000091768634 370076332 /nfs/dbraw/zinc/07/63/32/370076332.db2.gz LHBJYEMZSIHFPF-UHFFFAOYSA-N 0 3 297.443 3.115 20 30 CGEDHN C=CC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093359208 370119059 /nfs/dbraw/zinc/11/90/59/370119059.db2.gz KOQWOAVXPGYUIQ-UHFFFAOYSA-N 0 3 260.337 3.301 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000116907759 370573955 /nfs/dbraw/zinc/57/39/55/370573955.db2.gz RFJHGESFSPNPAG-NVXWUHKLSA-N 0 3 286.419 3.294 20 30 CGEDHN CC[C@H](O)[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000130350030 371027740 /nfs/dbraw/zinc/02/77/40/371027740.db2.gz NCHLIRLAWQUZHS-SJORKVTESA-N 0 3 291.822 3.317 20 30 CGEDHN CN(C)[C@H](CNCc1ccc(C#N)s1)c1cccs1 ZINC000135669246 371443195 /nfs/dbraw/zinc/44/31/95/371443195.db2.gz DEZPXPPELKTYRJ-CYBMUJFWSA-N 0 3 291.445 3.074 20 30 CGEDHN COc1cccc2c1CC[C@@H]2NCc1cc(C#N)cs1 ZINC000151890848 371648597 /nfs/dbraw/zinc/64/85/97/371648597.db2.gz XLRJMWNCTANGGP-HNNXBMFYSA-N 0 3 284.384 3.405 20 30 CGEDHN Cc1cnn([C@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000289739465 371807023 /nfs/dbraw/zinc/80/70/23/371807023.db2.gz DWCVANYPGYHNFP-PBHICJAKSA-N 0 3 280.375 3.071 20 30 CGEDHN N#Cc1c(CN2CC[C@@H](C3CC3)C2)cn2ccccc12 ZINC000344043474 217026393 /nfs/dbraw/zinc/02/63/93/217026393.db2.gz ZUNACSGAVZAOSN-CQSZACIVSA-N 0 3 265.360 3.043 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)C[C@@H]1CC=CCC1 ZINC000344067580 217035783 /nfs/dbraw/zinc/03/57/83/217035783.db2.gz PVSLAQJUVYBMDH-HUUCEWRRSA-N 0 3 297.402 3.173 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(F)c2)sc1C ZINC000155655333 371939160 /nfs/dbraw/zinc/93/91/60/371939160.db2.gz AMOIPCQPHNKWLZ-GFCCVEGCSA-N 0 3 289.335 3.145 20 30 CGEDHN CN(C)C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000290060378 371891375 /nfs/dbraw/zinc/89/13/75/371891375.db2.gz HEJCZBPWRIXBRX-GOSISDBHSA-N 0 3 297.377 3.090 20 30 CGEDHN C=C(C)CN1CCC(Nc2noc(-c3ccccc3)n2)CC1 ZINC000157457306 372022499 /nfs/dbraw/zinc/02/24/99/372022499.db2.gz DFLSPTKBRRRHNH-UHFFFAOYSA-N 0 3 298.390 3.189 20 30 CGEDHN CCc1ccc2nccc(N[C@@H]3CC[C@H](C#N)C3)c2c1 ZINC000425270816 372118205 /nfs/dbraw/zinc/11/82/05/372118205.db2.gz HAWCRPDUIZAXDJ-UONOGXRCSA-N 0 3 265.360 3.323 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(-n2cncn2)c(C)c1 ZINC000426546919 372162882 /nfs/dbraw/zinc/16/28/82/372162882.db2.gz XVFVGQKHXSIYFI-INIZCTEOSA-N 0 3 282.391 3.116 20 30 CGEDHN C=C(C)CN(Cc1[nH]ncc1C)Cc1ccccc1 ZINC000291645878 372172890 /nfs/dbraw/zinc/17/28/90/372172890.db2.gz UEQHFSKENKBNDC-UHFFFAOYSA-N 0 3 255.365 3.296 20 30 CGEDHN CCN(CCc1nccs1)Cc1ccc(F)c(C#N)c1 ZINC000159285693 372127000 /nfs/dbraw/zinc/12/70/00/372127000.db2.gz KDFSCQONPNFAAP-UHFFFAOYSA-N 0 3 289.379 3.218 20 30 CGEDHN CN1CCC[C@@]2(CCN(c3c(Cl)cccc3C#N)C2)C1 ZINC000292896614 372242363 /nfs/dbraw/zinc/24/23/63/372242363.db2.gz WKCHRPYQDCBNHM-MRXNPFEDSA-N 0 3 289.810 3.134 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000292200553 372183114 /nfs/dbraw/zinc/18/31/14/372183114.db2.gz IMLABJOMLXJZKE-UHFFFAOYSA-N 0 3 288.435 3.227 20 30 CGEDHN CSC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000292299765 372186186 /nfs/dbraw/zinc/18/61/86/372186186.db2.gz DCYCJRCPDKSRKZ-INIZCTEOSA-N 0 3 259.418 3.113 20 30 CGEDHN C=CCC[C@H](NCC(=O)N1CCCCC1)c1ccccc1 ZINC000159907976 372193017 /nfs/dbraw/zinc/19/30/17/372193017.db2.gz HANZNEDWMQNHCB-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN CC(C)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000293189331 372321085 /nfs/dbraw/zinc/32/10/85/372321085.db2.gz QDHYRQNLGCKENB-PBHICJAKSA-N 0 3 272.392 3.366 20 30 CGEDHN N#Cc1ccc(CNCCc2cccc(F)c2F)c(F)c1 ZINC000344368763 217170376 /nfs/dbraw/zinc/17/03/76/217170376.db2.gz FWQSVHPUCRHYHT-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccccc1OC ZINC000430726594 372394724 /nfs/dbraw/zinc/39/47/24/372394724.db2.gz VODOCJABRDIMNZ-CQSZACIVSA-N 0 3 258.365 3.430 20 30 CGEDHN C=CCC(F)(F)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000293637961 372432983 /nfs/dbraw/zinc/43/29/83/372432983.db2.gz YMRJPMJWQWMGNL-GXTWGEPZSA-N 0 3 296.361 3.005 20 30 CGEDHN N#Cc1csc(CN[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000344448748 217195038 /nfs/dbraw/zinc/19/50/38/217195038.db2.gz MQNLDVODRTUGGB-GDBMZVCRSA-N 0 3 268.385 3.341 20 30 CGEDHN N#Cc1csc(CN[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000344448751 217193698 /nfs/dbraw/zinc/19/36/98/217193698.db2.gz MQNLDVODRTUGGB-HOCLYGCPSA-N 0 3 268.385 3.341 20 30 CGEDHN N#Cc1ccccc1CSCCNCc1ccco1 ZINC000170670631 372648410 /nfs/dbraw/zinc/64/84/10/372648410.db2.gz MGAZANNUGKDASP-UHFFFAOYSA-N 0 3 272.373 3.174 20 30 CGEDHN C#Cc1ccc(CN[C@@H](CC)COCC(F)(F)F)cc1 ZINC000295052588 372687517 /nfs/dbraw/zinc/68/75/17/372687517.db2.gz FWDBUTOZEPBONK-AWEZNQCLSA-N 0 3 285.309 3.115 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434985989 372721356 /nfs/dbraw/zinc/72/13/56/372721356.db2.gz LREKJPUIZBLLRN-UHFFFAOYSA-N 0 3 297.358 3.493 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434984610 372722174 /nfs/dbraw/zinc/72/21/74/372722174.db2.gz YHCFRXCQOQJKCI-GFCCVEGCSA-N 0 3 257.337 3.210 20 30 CGEDHN C=CCN1CCC(Nc2ccnc3nc(C)ccc23)CC1 ZINC000435488553 372769256 /nfs/dbraw/zinc/76/92/56/372769256.db2.gz CIURMWLNQLMFNC-UHFFFAOYSA-N 0 3 282.391 3.001 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC[C@@H]1CCOC1 ZINC000438123801 372893659 /nfs/dbraw/zinc/89/36/59/372893659.db2.gz TYZDYCZUSRZAQU-KBAYOESNSA-N 0 3 284.403 3.185 20 30 CGEDHN Cc1nccn1-c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1F ZINC000442794828 373086289 /nfs/dbraw/zinc/08/62/89/373086289.db2.gz QKHKPGFQNUYSLN-ZFWWWQNUSA-N 0 3 298.365 3.102 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(C#N)c(OC)c1 ZINC000442814744 373093036 /nfs/dbraw/zinc/09/30/36/373093036.db2.gz DDFFVPVDFUYVEC-UHFFFAOYSA-N 0 3 296.370 3.391 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)C1 ZINC000442821617 373095949 /nfs/dbraw/zinc/09/59/49/373095949.db2.gz BRNSTLSLLUFGPT-OLZOCXBDSA-N 0 3 298.415 3.029 20 30 CGEDHN CCO[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442858305 373107865 /nfs/dbraw/zinc/10/78/65/373107865.db2.gz RSZWDHSJDWYEKA-CWRNSKLLSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000173528114 373153279 /nfs/dbraw/zinc/15/32/79/373153279.db2.gz YRGHDAARQAQFDW-INIZCTEOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCN(C(=O)C(C)C(F)(F)F)c1ccccc1 ZINC000443811436 373161529 /nfs/dbraw/zinc/16/15/29/373161529.db2.gz OSHJYSKIFSANKK-SNVBAGLBSA-N 0 3 257.255 3.404 20 30 CGEDHN C=CC[C@@H]1N(CC(=O)N2CCCCC2)CCCC1(C)C ZINC000444781129 373271784 /nfs/dbraw/zinc/27/17/84/373271784.db2.gz GPNPVXFJJKAUOF-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN CC[C@@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000174343345 373297162 /nfs/dbraw/zinc/29/71/62/373297162.db2.gz LDBYOVGNAQPBKZ-AWEZNQCLSA-N 0 3 254.333 3.262 20 30 CGEDHN CC1CCN(CCNc2c(C#N)cnc3ccccc32)CC1 ZINC000301066890 373646005 /nfs/dbraw/zinc/64/60/05/373646005.db2.gz FCHLFIWVKUFYJS-UHFFFAOYSA-N 0 3 294.402 3.250 20 30 CGEDHN C=CCC1(C(=O)NCCN(CC)C2CC2)CCCCC1 ZINC000448899401 373647992 /nfs/dbraw/zinc/64/79/92/373647992.db2.gz WCAMXGPZWBTHLI-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN COc1cc(CN2CC[C@H](C)[C@H](C)C2)ccc1C#N ZINC000300115484 373620339 /nfs/dbraw/zinc/62/03/39/373620339.db2.gz IEVXEAVPAIHJHO-QWHCGFSZSA-N 0 3 258.365 3.045 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000449138415 373666401 /nfs/dbraw/zinc/66/64/01/373666401.db2.gz BZRPEWRFQDNEKM-HUUCEWRRSA-N 0 3 299.422 3.448 20 30 CGEDHN C=CCOc1ccc(CNCC2=CCOCC2)cc1Cl ZINC000449403724 373686272 /nfs/dbraw/zinc/68/62/72/373686272.db2.gz RGTHAFGVNAQXKS-UHFFFAOYSA-N 0 3 293.794 3.341 20 30 CGEDHN CCCc1csc(CN[C@H]2CC[C@@H](CC#N)C2)n1 ZINC000449445429 373721885 /nfs/dbraw/zinc/72/18/85/373721885.db2.gz JLOIKWVGHBDKFZ-RYUDHWBXSA-N 0 3 263.410 3.268 20 30 CGEDHN C[C@@]12CN(Cc3ccccc3C#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449037 373728843 /nfs/dbraw/zinc/72/88/43/373728843.db2.gz KILPCFVPFRBPMI-QCSYZSNVSA-N 0 3 264.372 3.202 20 30 CGEDHN C=CCOc1cccc(CN(C)[C@H](CO)c2ccccc2)c1 ZINC000449460010 373742698 /nfs/dbraw/zinc/74/26/98/373742698.db2.gz YOQIDIVSAKBMFZ-LJQANCHMSA-N 0 3 297.398 3.417 20 30 CGEDHN C=C(C)CN(CC)C[C@H](O)COc1cccc2ccccc21 ZINC000301313857 373743049 /nfs/dbraw/zinc/74/30/49/373743049.db2.gz HGISGJXQAFTSLL-KRWDZBQOSA-N 0 3 299.414 3.478 20 30 CGEDHN CC/C=C\CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000449464478 373747497 /nfs/dbraw/zinc/74/74/97/373747497.db2.gz YFTSCCPKTLQNCQ-PLNGDYQASA-N 0 3 280.375 3.015 20 30 CGEDHN C[C@H](C1CC1)N(CC#Cc1ccc(F)cc1)C1CC1 ZINC000178914039 373816431 /nfs/dbraw/zinc/81/64/31/373816431.db2.gz RZFRCESLCAEWGP-CYBMUJFWSA-N 0 3 257.352 3.440 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2COCC2(C)C)cc1Cl ZINC000449626758 373836524 /nfs/dbraw/zinc/83/65/24/373836524.db2.gz XRTWOYXUNIWOJV-HNNXBMFYSA-N 0 3 295.810 3.419 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](OCC)[C@H](C)C1 ZINC000449491787 373781974 /nfs/dbraw/zinc/78/19/74/373781974.db2.gz HYDSXQLHGAMMLJ-WBVHZDCISA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCC[C@@H](NCC(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000180043341 373957538 /nfs/dbraw/zinc/95/75/38/373957538.db2.gz FLVULMJPUATNMV-DOTOQJQBSA-N 0 3 288.435 3.444 20 30 CGEDHN N#Cc1cccc(OCCNC2(c3cccc(F)c3)CC2)c1 ZINC000179703587 373907085 /nfs/dbraw/zinc/90/70/85/373907085.db2.gz KILVJSSRFMGKRH-UHFFFAOYSA-N 0 3 296.345 3.355 20 30 CGEDHN C=CCSCCN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000180456198 374010683 /nfs/dbraw/zinc/01/06/83/374010683.db2.gz KJKCCQXPWMTITP-GFCCVEGCSA-N 0 3 278.421 3.215 20 30 CGEDHN C=CCN(CC(=O)N1CCCCCC1)CC1CCCCC1 ZINC000303452671 374017533 /nfs/dbraw/zinc/01/75/33/374017533.db2.gz LDQLUBKCRDJVFP-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000180537293 374018508 /nfs/dbraw/zinc/01/85/08/374018508.db2.gz YNBRHFREWJAGNF-QWHCGFSZSA-N 0 3 298.390 3.043 20 30 CGEDHN CC[C@H](C)[C@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305828211 374117382 /nfs/dbraw/zinc/11/73/82/374117382.db2.gz RYLPYQCMMHTTQM-MQIPJXDCSA-N 0 3 278.371 3.145 20 30 CGEDHN N#CC1(CN2CCC[C@H]2Cn2cnc3ccccc32)CCC1 ZINC000450625239 374166399 /nfs/dbraw/zinc/16/63/99/374166399.db2.gz PSBXCWCLUGRZRQ-HNNXBMFYSA-N 0 3 294.402 3.195 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C)[C@H]2C)CCCCC1 ZINC000450790525 374179638 /nfs/dbraw/zinc/17/96/38/374179638.db2.gz HJVBZJKLGYOLSU-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN COC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cc1 ZINC000182031508 374207875 /nfs/dbraw/zinc/20/78/75/374207875.db2.gz GBZBLDNQESGUGD-IBGZPJMESA-N 0 3 294.398 3.248 20 30 CGEDHN N#Cc1cccc(CN2C[C@@H]3CCCC[C@@H]3C2)c1F ZINC000311839797 374256876 /nfs/dbraw/zinc/25/68/76/374256876.db2.gz HHZNRGRBQLHBFX-OKILXGFUSA-N 0 3 258.340 3.319 20 30 CGEDHN C[S@@](=O)C[C@H](NCCCC(C)(C)C#N)c1ccccc1 ZINC000183107509 374373530 /nfs/dbraw/zinc/37/35/30/374373530.db2.gz KOPBXWVEJWPYBI-MGPUTAFESA-N 0 3 292.448 3.026 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000320377728 374350795 /nfs/dbraw/zinc/35/07/95/374350795.db2.gz KLJQYJINRBHRQK-PWSUYJOCSA-N 0 3 271.763 3.457 20 30 CGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C2CC2)C1 ZINC000328985419 374398395 /nfs/dbraw/zinc/39/83/95/374398395.db2.gz ZRAKCCZIUMWETH-HIFRSBDPSA-N 0 3 289.423 3.290 20 30 CGEDHN C[C@@H](NCC(C)(C)C(C)(C)O)c1ccc(C#N)c(F)c1 ZINC000453376963 374463311 /nfs/dbraw/zinc/46/33/11/374463311.db2.gz UYLIHXKBTRMSLU-LLVKDONJSA-N 0 3 278.371 3.145 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1cccc(C)c1C ZINC000183709231 374444885 /nfs/dbraw/zinc/44/48/85/374444885.db2.gz KQNUBFAUUODRFG-MRXNPFEDSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCOc1cccc(CN(C)CCc2ccncc2)c1 ZINC000183753386 374450893 /nfs/dbraw/zinc/45/08/93/374450893.db2.gz LLNYNCMCUZYZIR-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN Cc1scc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000330644960 374486588 /nfs/dbraw/zinc/48/65/88/374486588.db2.gz IERPWZQJDHEZCX-LBPRGKRZSA-N 0 3 285.372 3.262 20 30 CGEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)s1)C(C)C ZINC000185234295 374616694 /nfs/dbraw/zinc/61/66/94/374616694.db2.gz GUDYMTGJOFIJOT-HNNXBMFYSA-N 0 3 294.420 3.077 20 30 CGEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(C)C#N)CC2 ZINC000334540372 374836075 /nfs/dbraw/zinc/83/60/75/374836075.db2.gz VLFGJGVRUFPQRO-IAQYHMDHSA-N 0 3 256.349 3.073 20 30 CGEDHN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(C)C#N)CC2 ZINC000334540373 374836126 /nfs/dbraw/zinc/83/61/26/374836126.db2.gz VLFGJGVRUFPQRO-NHYWBVRUSA-N 0 3 256.349 3.073 20 30 CGEDHN CC1(C#N)CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000334559740 374858361 /nfs/dbraw/zinc/85/83/61/374858361.db2.gz FFEBVSKWGCXOEW-LBPRGKRZSA-N 0 3 256.340 3.438 20 30 CGEDHN N#CC1(CCN2CCS[C@@H]3COCC[C@H]32)CCCCC1 ZINC000334562569 374862116 /nfs/dbraw/zinc/86/21/16/374862116.db2.gz MZQCRBKNIPQMHP-HUUCEWRRSA-N 0 3 294.464 3.057 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](n2cccn2)C1 ZINC000334656746 374948299 /nfs/dbraw/zinc/94/82/99/374948299.db2.gz YFOBCGCUTYGRFU-YOEHRIQHSA-N 0 3 280.375 3.153 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)C(C)(C)c1ccccc1 ZINC000469740857 374991319 /nfs/dbraw/zinc/99/13/19/374991319.db2.gz BVZFOXQBCDPXOI-JSGCOSHPSA-N 0 3 258.365 3.019 20 30 CGEDHN CC(C#N)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000471709199 375006792 /nfs/dbraw/zinc/00/67/92/375006792.db2.gz MFYNIRVOYPCVRL-SECBINFHSA-N 0 3 285.174 3.202 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@H]1CC[C@H](C)O1 ZINC000475048490 375130638 /nfs/dbraw/zinc/13/06/38/375130638.db2.gz PJEPSEWHPSEOHV-DOTOQJQBSA-N 0 3 259.393 3.285 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000475640740 375135141 /nfs/dbraw/zinc/13/51/41/375135141.db2.gz IHLPYSGVKWBMRM-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(C)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000479212204 375149842 /nfs/dbraw/zinc/14/98/42/375149842.db2.gz HENSEXMEFYRZQN-UHFFFAOYSA-N 0 3 286.419 3.319 20 30 CGEDHN C=CCN(CCCc1ccc(Cl)cc1)CCOC ZINC000484560147 375188763 /nfs/dbraw/zinc/18/87/63/375188763.db2.gz WPSDDEDJXLCQQC-UHFFFAOYSA-N 0 3 267.800 3.407 20 30 CGEDHN C=CCN(CC(=O)N[C@H](C)C(C)C)CC1CCCCC1 ZINC000484513487 375189303 /nfs/dbraw/zinc/18/93/03/375189303.db2.gz KBHZXLNDRZGFLL-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C[C@](O)(CNCc1cc(C#N)cs1)C1CCCCC1 ZINC000191669831 375648708 /nfs/dbraw/zinc/64/87/08/375648708.db2.gz KICASUWASYRPBM-HNNXBMFYSA-N 0 3 278.421 3.041 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121221037 542016915 /nfs/dbraw/zinc/01/69/15/542016915.db2.gz BLARJMUWMMOUGE-OAHLLOKOSA-N 0 3 297.402 3.354 20 30 CGEDHN CCCN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCCO1 ZINC000192101834 375699179 /nfs/dbraw/zinc/69/91/79/375699179.db2.gz QRQUKMGMWSBHOE-INIZCTEOSA-N 0 3 290.382 3.478 20 30 CGEDHN C[C@@H](NCC#Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000192186146 375708171 /nfs/dbraw/zinc/70/81/71/375708171.db2.gz SYMRJQCWZZSHIM-CRAIPNDOSA-N 0 3 277.367 3.192 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1CCCC1 ZINC000512200707 375795283 /nfs/dbraw/zinc/79/52/83/375795283.db2.gz XIUTWDNAGNLJBR-UHFFFAOYSA-N 0 3 263.381 3.340 20 30 CGEDHN N#CCCN(CCCc1ccc2c(c1)CCO2)CC1CC1 ZINC000193245808 375847520 /nfs/dbraw/zinc/84/75/20/375847520.db2.gz QCCIHYANWXOMCL-UHFFFAOYSA-N 0 3 284.403 3.180 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCOc3c(F)cccc32)C1 ZINC000193333180 375862071 /nfs/dbraw/zinc/86/20/71/375862071.db2.gz VURWFVQDLDYNPI-XUJVJEKNSA-N 0 3 274.339 3.321 20 30 CGEDHN C=C1CCN(C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528384999 375899453 /nfs/dbraw/zinc/89/94/53/375899453.db2.gz ZFJJJNJZHULUAF-MRXNPFEDSA-N 0 3 263.356 3.035 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(CCOC)CC1 ZINC000529637662 375931880 /nfs/dbraw/zinc/93/18/80/375931880.db2.gz USONUXYGBBOIJH-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN N#Cc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000336838975 375999961 /nfs/dbraw/zinc/99/99/61/375999961.db2.gz IPAJJEVZVGHZSI-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN OCCN(CC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000535281387 376032405 /nfs/dbraw/zinc/03/24/05/376032405.db2.gz SFKPIALALGYOMN-UHFFFAOYSA-N 0 3 291.822 3.319 20 30 CGEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)s1 ZINC000195198607 376088676 /nfs/dbraw/zinc/08/86/76/376088676.db2.gz JMTBNKMASNRUSN-HNNXBMFYSA-N 0 3 278.421 3.401 20 30 CGEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)[C@H](C)C2CC2)C1=O ZINC000337136176 376092817 /nfs/dbraw/zinc/09/28/17/376092817.db2.gz MWUNFURTWVIZGO-CRAIPNDOSA-N 0 3 298.430 3.074 20 30 CGEDHN C=CCN1CC[C@@H](N(C)[C@H](c2ccccc2)C(C)C)C1=O ZINC000337171802 376113613 /nfs/dbraw/zinc/11/36/13/376113613.db2.gz GBQWFQWNAQWEJO-SJORKVTESA-N 0 3 286.419 3.102 20 30 CGEDHN C=CCN1CC[C@@H](N(CCC)[C@H]2CCc3ccccc32)C1=O ZINC000337122546 376084108 /nfs/dbraw/zinc/08/41/08/376084108.db2.gz BLXAGKGLEKBGFM-ZWKOTPCHSA-N 0 3 298.430 3.173 20 30 CGEDHN C=CCCN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000337281044 376188781 /nfs/dbraw/zinc/18/87/81/376188781.db2.gz VVXIKGVZVPYZBX-UHFFFAOYSA-N 0 3 282.790 3.173 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000216167266 376158838 /nfs/dbraw/zinc/15/88/38/376158838.db2.gz LRGUWABWDOKGDY-MRXNPFEDSA-N 0 3 288.435 3.322 20 30 CGEDHN N#Cc1ccc(CNCCCc2c[nH]c3ccc(F)cc23)o1 ZINC000337243608 376160260 /nfs/dbraw/zinc/16/02/60/376160260.db2.gz BQLDEOLSDYCIBJ-UHFFFAOYSA-N 0 3 297.333 3.494 20 30 CGEDHN CCC[C@H](C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000538307349 376231191 /nfs/dbraw/zinc/23/11/91/376231191.db2.gz OXHLGDBKDYBTHZ-WMZOPIPTSA-N 0 3 285.435 3.305 20 30 CGEDHN CCc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000226265379 376348003 /nfs/dbraw/zinc/34/80/03/376348003.db2.gz YVHQNNPSZIQFMB-UHFFFAOYSA-N 0 3 256.374 3.472 20 30 CGEDHN C=CCCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000338546101 376419919 /nfs/dbraw/zinc/41/99/19/376419919.db2.gz KTESQAKOFHEQPV-KBPBESRZSA-N 0 3 286.202 3.459 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000542252090 376523878 /nfs/dbraw/zinc/52/38/78/376523878.db2.gz GKBIEGVYHVYNDB-ZDUSSCGKSA-N 0 3 272.392 3.435 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1=CCCOC1 ZINC000334293216 206322129 /nfs/dbraw/zinc/32/21/29/206322129.db2.gz PNKKAYAZVGVESD-SFHVURJKSA-N 0 3 282.387 3.262 20 30 CGEDHN C=CCOCCN1CCC[C@H]1c1ccccc1OC ZINC000338963543 376604190 /nfs/dbraw/zinc/60/41/90/376604190.db2.gz ZRMAVIZLYBSBFY-HNNXBMFYSA-N 0 3 261.365 3.035 20 30 CGEDHN COc1cc(CN2CC[C@H](C(C)C)C2)ccc1C#N ZINC000234998952 376627611 /nfs/dbraw/zinc/62/76/11/376627611.db2.gz ZQMXKPOSESTADN-HNNXBMFYSA-N 0 3 258.365 3.045 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000544113572 376704952 /nfs/dbraw/zinc/70/49/52/376704952.db2.gz BXZQYXFUKUAAOI-ZDUSSCGKSA-N 0 3 272.392 3.435 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@H](CC3CC3)C2)c1 ZINC000339673279 376798540 /nfs/dbraw/zinc/79/85/40/376798540.db2.gz GAXLYMAZKDVDHS-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)ccn1 ZINC000340461517 377074281 /nfs/dbraw/zinc/07/42/81/377074281.db2.gz JEWSJCXLBNJHIX-CHWSQXEVSA-N 0 3 281.359 3.374 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cc[nH]c2C2CCC2)nc(C)n1 ZINC000565070542 377484158 /nfs/dbraw/zinc/48/41/58/377484158.db2.gz VBQFCFLIWXAYOF-CQSZACIVSA-N 0 3 294.358 3.179 20 30 CGEDHN CC(C)[C@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000568545274 377519287 /nfs/dbraw/zinc/51/92/87/377519287.db2.gz GDWUCHAJGBXOTI-RISCZKNCSA-N 0 3 278.783 3.355 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000567811626 377510168 /nfs/dbraw/zinc/51/01/68/377510168.db2.gz ZYXVJLHUWFTJTM-QGZVFWFLSA-N 0 3 286.419 3.078 20 30 CGEDHN C=CCC[C@@H](NC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC000569116452 377526222 /nfs/dbraw/zinc/52/62/22/377526222.db2.gz JKSRDZKHJPYNJN-DOTOQJQBSA-N 0 3 286.419 3.152 20 30 CGEDHN C[C@@H](NCCOCC1CCCC1)c1cccc(C#N)c1 ZINC000313261090 249089483 /nfs/dbraw/zinc/08/94/83/249089483.db2.gz IAJQMSNYRHLVFO-CQSZACIVSA-N 0 3 272.392 3.416 20 30 CGEDHN C=CCCNCc1ccc(Br)cc1F ZINC000168505300 542178403 /nfs/dbraw/zinc/17/84/03/542178403.db2.gz GUUXDZCEVACNGD-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN COc1ccc2c(c1)CCCN([C@H](C)CCC#N)C2 ZINC000573809632 377578600 /nfs/dbraw/zinc/57/86/00/377578600.db2.gz SXIDUFHGUFVXIA-CYBMUJFWSA-N 0 3 258.365 3.136 20 30 CGEDHN C=CCN[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000342477690 377650264 /nfs/dbraw/zinc/65/02/64/377650264.db2.gz HFWUTRQTUUCFBT-OAHLLOKOSA-N 0 3 261.365 3.153 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000342719370 377753769 /nfs/dbraw/zinc/75/37/69/377753769.db2.gz IRVSNIUCBPAEMA-UONOGXRCSA-N 0 3 292.448 3.308 20 30 CGEDHN Cc1cccc2ncc(CN[C@H](C)c3ccc(C#N)cc3)n21 ZINC000343191906 377923607 /nfs/dbraw/zinc/92/36/07/377923607.db2.gz JLIHAJBLFYFREO-CQSZACIVSA-N 0 3 290.370 3.365 20 30 CGEDHN CC[C@@H](C)N[C@H](CNc1ncccc1C#N)c1ccco1 ZINC000343259130 377941053 /nfs/dbraw/zinc/94/10/53/377941053.db2.gz XTQIOQLHUNXDTH-TZMCWYRMSA-N 0 3 284.363 3.088 20 30 CGEDHN C=CCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000267188229 378032120 /nfs/dbraw/zinc/03/21/20/378032120.db2.gz ZHXIMXLFDOZYBY-SJLPKXTDSA-N 0 3 298.430 3.486 20 30 CGEDHN C[C@H](COc1cccc(F)c1)NCc1cc(C#N)cs1 ZINC000343636453 378049329 /nfs/dbraw/zinc/04/93/29/378049329.db2.gz IQBNCEPFQGIFSS-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN C=CCc1cc(CN[C@H]2CC2(C)C)cc(OC)c1O ZINC000343646015 378051214 /nfs/dbraw/zinc/05/12/14/378051214.db2.gz UJMNVFNYBFTAOQ-AWEZNQCLSA-N 0 3 261.365 3.017 20 30 CGEDHN CC(C#N)C(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC000343674865 378062635 /nfs/dbraw/zinc/06/26/35/378062635.db2.gz ODWKHERCLPYYLX-ZBFHGGJFSA-N 0 3 298.386 3.190 20 30 CGEDHN C=CCCCCN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000577933599 378023699 /nfs/dbraw/zinc/02/36/99/378023699.db2.gz LOZNMJLXOWRCPJ-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=CCC1(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)CCCCC1 ZINC000579375090 378155959 /nfs/dbraw/zinc/15/59/59/378155959.db2.gz XDHSZUXCFRUTFT-JKSUJKDBSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCC1(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000344721106 378177490 /nfs/dbraw/zinc/17/74/90/378177490.db2.gz HOFIAVVGFWALMC-OAHLLOKOSA-N 0 3 290.451 3.066 20 30 CGEDHN CC(C#N)C(=O)NCCn1c2ccccc2c2ccccc21 ZINC000345428642 378281818 /nfs/dbraw/zinc/28/18/18/378281818.db2.gz XFPBCNSHPPNYEC-ZDUSSCGKSA-N 0 3 291.354 3.070 20 30 CGEDHN CCC(CC)[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)CCO1 ZINC000580186594 378230887 /nfs/dbraw/zinc/23/08/87/378230887.db2.gz AITCCEOFNQEBTM-BPUTZDHNSA-N 0 3 277.412 3.003 20 30 CGEDHN CCC[C@@H](C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582340770 378305358 /nfs/dbraw/zinc/30/53/58/378305358.db2.gz WTKBESJZNUAIKE-RHSMWYFYSA-N 0 3 299.418 3.174 20 30 CGEDHN N#Cc1ccc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)o1 ZINC000271121779 378456676 /nfs/dbraw/zinc/45/66/76/378456676.db2.gz FFTGRHDKIUMTAD-VTXSZYRJSA-N 0 3 256.349 3.162 20 30 CGEDHN Cc1cccc(NCCN[C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346127050 378471495 /nfs/dbraw/zinc/47/14/95/378471495.db2.gz BYMUQCKRRSOFBL-ZDUSSCGKSA-N 0 3 298.365 3.164 20 30 CGEDHN C[C@@H](NC[C@@H](O)c1ccsc1)c1ccc(C#N)c(F)c1 ZINC000271986311 378538127 /nfs/dbraw/zinc/53/81/27/378538127.db2.gz YAYIPDXTVIBRLO-MEBBXXQBSA-N 0 3 290.363 3.143 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H](OC)C1CCOCC1 ZINC000637929110 378634995 /nfs/dbraw/zinc/63/49/95/378634995.db2.gz IEDMXYCCLMPWTO-SFHVURJKSA-N 0 3 289.419 3.116 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000348027811 378757512 /nfs/dbraw/zinc/75/75/12/378757512.db2.gz GKTLGBFWHHJPKQ-INIZCTEOSA-N 0 3 299.418 3.175 20 30 CGEDHN C=CCN(CCCC(=O)CC)Cc1ccc(OC)cc1 ZINC000347727984 378725016 /nfs/dbraw/zinc/72/50/16/378725016.db2.gz BZMVTYMEMHXJND-UHFFFAOYSA-N 0 3 275.392 3.443 20 30 CGEDHN C=CCOCCCN1CCc2c(C)cc(C)cc2C1 ZINC000348112869 378797169 /nfs/dbraw/zinc/79/71/69/378797169.db2.gz GHYWPHLCBRLWRU-UHFFFAOYSA-N 0 3 259.393 3.254 20 30 CGEDHN C=C(C)CCN1CCC(c2noc(C(C)C)n2)CC1 ZINC000274769070 378892381 /nfs/dbraw/zinc/89/23/81/378892381.db2.gz GZUXUNIAHSCTHB-UHFFFAOYSA-N 0 3 263.385 3.339 20 30 CGEDHN C=C(C)COCCNC[C@H](OC(C)C)c1ccccc1 ZINC000638758135 378900305 /nfs/dbraw/zinc/90/03/05/378900305.db2.gz TTWNHASJUITGIE-KRWDZBQOSA-N 0 3 277.408 3.335 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)c1cc2c(s1)CCNC2 ZINC000638865457 378939938 /nfs/dbraw/zinc/93/99/38/378939938.db2.gz HXBPTHUXZZTPIR-UHFFFAOYSA-N 0 3 292.448 3.116 20 30 CGEDHN C=C(C)[C@@H](NCCC(C)(C)O)c1ccc(F)c(F)c1 ZINC000274880933 378912704 /nfs/dbraw/zinc/91/27/04/378912704.db2.gz NCBURZOQOCGTTI-CQSZACIVSA-N 0 3 269.335 3.333 20 30 CGEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1cccc(F)c1 ZINC000276795044 378998253 /nfs/dbraw/zinc/99/82/53/378998253.db2.gz UNCCFQIZSADKIF-UHFFFAOYSA-N 0 3 285.366 3.446 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(SC)CC1 ZINC000348636189 379003857 /nfs/dbraw/zinc/00/38/57/379003857.db2.gz PZJLHHXNUZJIKS-UHFFFAOYSA-N 0 3 281.421 3.046 20 30 CGEDHN CN(C)CCN(Cc1ccsc1)Cc1ccc(C#N)cc1 ZINC000348931311 379115325 /nfs/dbraw/zinc/11/53/25/379115325.db2.gz AORRCQKJGZIGHR-UHFFFAOYSA-N 0 3 299.443 3.184 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCC12CCC2 ZINC000373098150 379221138 /nfs/dbraw/zinc/22/11/38/379221138.db2.gz IBZLOIDFIBBJGQ-UHFFFAOYSA-N 0 3 256.349 3.085 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000639346946 379303375 /nfs/dbraw/zinc/30/33/75/379303375.db2.gz GKDCSBFISIQWLA-LLVKDONJSA-N 0 3 252.308 3.417 20 30 CGEDHN C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000347588843 218283667 /nfs/dbraw/zinc/28/36/67/218283667.db2.gz XDWGWAFZVVWLKB-ZIAGYGMSSA-N 0 3 267.376 3.289 20 30 CGEDHN CCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000349797426 379387981 /nfs/dbraw/zinc/38/79/81/379387981.db2.gz CBAQTVCZIHSZDA-DZGCQCFKSA-N 0 3 288.391 3.266 20 30 CGEDHN N#Cc1ccccc1CN1CC[C@H](c2ccco2)C1 ZINC000374001810 379359523 /nfs/dbraw/zinc/35/95/23/379359523.db2.gz IUFDUSDPGNISEW-HNNXBMFYSA-N 0 3 252.317 3.141 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@]23CCOC3)c1 ZINC000375306229 379491239 /nfs/dbraw/zinc/49/12/39/379491239.db2.gz BTICGVABXUWUMX-KRWDZBQOSA-N 0 3 273.376 3.006 20 30 CGEDHN C[C@H](O)CCN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000266721553 190277382 /nfs/dbraw/zinc/27/73/82/190277382.db2.gz HPVLSAVMRQPEBF-HNNXBMFYSA-N 0 3 294.398 3.428 20 30 CGEDHN C#CCCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375842799 379515474 /nfs/dbraw/zinc/51/54/74/379515474.db2.gz WVCKCFMWTRUYCG-OAHLLOKOSA-N 0 3 259.397 3.424 20 30 CGEDHN C=C(C)CCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639917484 379642965 /nfs/dbraw/zinc/64/29/65/379642965.db2.gz GPPJNIMTPADFFO-ZDUSSCGKSA-N 0 3 273.298 3.295 20 30 CGEDHN CC#CCCN1CCC(Oc2ccccc2F)CC1 ZINC000639981504 379672084 /nfs/dbraw/zinc/67/20/84/379672084.db2.gz YVDLQWDWKRCZGK-UHFFFAOYSA-N 0 3 261.340 3.082 20 30 CGEDHN CO[C@@]1(C)CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000280636813 379751631 /nfs/dbraw/zinc/75/16/31/379751631.db2.gz XWUPYXWWFSUMTF-SFHVURJKSA-N 0 3 297.402 3.202 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cccnc1Cl ZINC000280908864 379809407 /nfs/dbraw/zinc/80/94/07/379809407.db2.gz RUQUTJKVUMANPA-DYEKYZERSA-N 0 3 280.799 3.367 20 30 CGEDHN C=CC[C@H](CC)N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000280966496 379811405 /nfs/dbraw/zinc/81/14/05/379811405.db2.gz HLOCGULBOFLPCO-GOEBONIOSA-N 0 3 290.382 3.090 20 30 CGEDHN C=CC[C@@H](CC)NCc1ccc(OC)c(OC)c1OC ZINC000281224488 379823818 /nfs/dbraw/zinc/82/38/18/379823818.db2.gz DGRFCVMWNLUTBP-CYBMUJFWSA-N 0 3 279.380 3.157 20 30 CGEDHN C=C[C@@H](CO)NCc1cccc(Oc2ccccc2)c1 ZINC000352465225 379828227 /nfs/dbraw/zinc/82/82/27/379828227.db2.gz FYPUULNYZCQUNL-HNNXBMFYSA-N 0 3 269.344 3.115 20 30 CGEDHN C[C@@H](CCC(C)(C)C)NCc1nc(C#N)cs1 ZINC000352841609 379997184 /nfs/dbraw/zinc/99/71/84/379997184.db2.gz UPMMMMXMSYERLP-JTQLQIEISA-N 0 3 251.399 3.319 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](COC(F)F)C1 ZINC000353027195 380081731 /nfs/dbraw/zinc/08/17/31/380081731.db2.gz MKVYSBWFUMKJEG-DGCLKSJQSA-N 0 3 280.318 3.180 20 30 CGEDHN C[C@H](CCC#N)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000411237086 380135489 /nfs/dbraw/zinc/13/54/89/380135489.db2.gz MSMYMUUAFRZTTL-MRXNPFEDSA-N 0 3 285.435 3.275 20 30 CGEDHN Cc1c([C@H](C)NCC(C)(C)CC#N)cccc1[N+](=O)[O-] ZINC000414170208 380197412 /nfs/dbraw/zinc/19/74/12/380197412.db2.gz SKSHQRQKXBOZMY-LBPRGKRZSA-N 0 3 275.352 3.494 20 30 CGEDHN COC1CCC(N(C)Cc2cc(F)ccc2C#N)CC1 ZINC000268311864 190394794 /nfs/dbraw/zinc/39/47/94/190394794.db2.gz QLJCLJYSFPNBQD-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1ccccc1S(C)(=O)=O ZINC000414237180 380204354 /nfs/dbraw/zinc/20/43/54/380204354.db2.gz IYFMDAPQXDMVOB-CQSZACIVSA-N 0 3 295.448 3.315 20 30 CGEDHN CO[C@]1(C)C[C@@H](N(C)Cc2cccc(C#N)c2)C1(C)C ZINC000353936140 380243747 /nfs/dbraw/zinc/24/37/47/380243747.db2.gz YKBOPZSDWBOOHA-NVXWUHKLSA-N 0 3 272.392 3.194 20 30 CGEDHN CN(C)Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(F)c1 ZINC000414496847 380271577 /nfs/dbraw/zinc/27/15/77/380271577.db2.gz JDUUZIWBKMADIX-OCCSQVGLSA-N 0 3 275.371 3.382 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000414299078 380207864 /nfs/dbraw/zinc/20/78/64/380207864.db2.gz JLGOOORGQUDEAI-ZFWWWQNUSA-N 0 3 283.375 3.020 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccncn1 ZINC000414303440 380211532 /nfs/dbraw/zinc/21/15/32/380211532.db2.gz PHZKSQCYNHTCJD-HOCLYGCPSA-N 0 3 267.376 3.315 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ccncn1 ZINC000414303439 380211644 /nfs/dbraw/zinc/21/16/44/380211644.db2.gz PHZKSQCYNHTCJD-GOEBONIOSA-N 0 3 267.376 3.315 20 30 CGEDHN CN1CCN(Cc2ccc(C#N)cc2)c2ccccc2C1 ZINC000353587308 380213169 /nfs/dbraw/zinc/21/31/69/380213169.db2.gz HDWXUGQZNDEBAG-UHFFFAOYSA-N 0 3 277.371 3.010 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cccc(OC)n1 ZINC000414528491 380302405 /nfs/dbraw/zinc/30/24/05/380302405.db2.gz ASSLRWDPFCNDLH-INIZCTEOSA-N 0 3 282.387 3.367 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccoc1C(=O)OC ZINC000414528604 380302469 /nfs/dbraw/zinc/30/24/69/380302469.db2.gz BDXISWJQCPREGU-INIZCTEOSA-N 0 3 299.370 3.343 20 30 CGEDHN C=CCn1cc(CN[C@H]2C[C@H](C)CC[C@@H]2C(C)C)nn1 ZINC000643902070 380394166 /nfs/dbraw/zinc/39/41/66/380394166.db2.gz RPZSGSCZYLKWLG-BMFZPTHFSA-N 0 3 276.428 3.015 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000644785808 380510918 /nfs/dbraw/zinc/51/09/18/380510918.db2.gz CJOUQEGLDNIYNG-YWPYICTPSA-N 0 3 263.406 3.142 20 30 CGEDHN CN(C)Cc1cccc(NCc2ccc(C#N)cc2F)c1 ZINC000355318899 380639179 /nfs/dbraw/zinc/63/91/79/380639179.db2.gz RQRVQNDSTMJBQP-UHFFFAOYSA-N 0 3 283.350 3.371 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645185205 380609016 /nfs/dbraw/zinc/60/90/16/380609016.db2.gz ZVDASFGZLYRONG-UONOGXRCSA-N 0 3 285.366 3.464 20 30 CGEDHN Cc1cc(CN[C@@H](CO)CCC(C)(C)C)ccc1C#N ZINC000355674112 380747417 /nfs/dbraw/zinc/74/74/17/380747417.db2.gz BMIUAWHCUOAIPC-MRXNPFEDSA-N 0 3 274.408 3.144 20 30 CGEDHN COCC(C)(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356193118 380793456 /nfs/dbraw/zinc/79/34/56/380793456.db2.gz VKNXZEGNGXEPTP-UHFFFAOYSA-N 0 3 286.297 3.092 20 30 CGEDHN CCCCCCCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000732035053 572446177 /nfs/dbraw/zinc/44/61/77/572446177.db2.gz KGMOYIWCQBRPOS-OAHLLOKOSA-N 0 3 266.429 3.042 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000421387476 380932879 /nfs/dbraw/zinc/93/28/79/380932879.db2.gz TTXDWAHYQAQUTC-KRWDZBQOSA-N 0 3 298.361 3.045 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000358284852 381300000 /nfs/dbraw/zinc/30/00/00/381300000.db2.gz FQISNMIRTISGLC-WDEREUQCSA-N 0 3 276.771 3.146 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358314589 381303979 /nfs/dbraw/zinc/30/39/79/381303979.db2.gz FQBZGCIXEKUWDO-VXGBXAGGSA-N 0 3 273.380 3.196 20 30 CGEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1F ZINC000359609117 381355266 /nfs/dbraw/zinc/35/52/66/381355266.db2.gz JWELAJUNRNABMZ-TVQRCGJNSA-N 0 3 282.746 3.452 20 30 CGEDHN N#Cc1c(CN(CC2CC2)CC2CC2)cn2ccccc12 ZINC000360326311 381516574 /nfs/dbraw/zinc/51/65/74/381516574.db2.gz RVYLVIPGMFSHBD-UHFFFAOYSA-N 0 3 279.387 3.433 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000361150459 381657771 /nfs/dbraw/zinc/65/77/71/381657771.db2.gz AJSQJKIXLZIKLU-GZBFAFLISA-N 0 3 270.380 3.084 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000361150459 381657778 /nfs/dbraw/zinc/65/77/78/381657778.db2.gz AJSQJKIXLZIKLU-GZBFAFLISA-N 0 3 270.380 3.084 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000361150459 381657787 /nfs/dbraw/zinc/65/77/87/381657787.db2.gz AJSQJKIXLZIKLU-GZBFAFLISA-N 0 3 270.380 3.084 20 30 CGEDHN CO[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000361369883 381720019 /nfs/dbraw/zinc/72/00/19/381720019.db2.gz NJEUQYAVMLZWLG-GOSISDBHSA-N 0 3 292.382 3.446 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(n2cccn2)CC1 ZINC000361503195 381779095 /nfs/dbraw/zinc/77/90/95/381779095.db2.gz KTXKDOLKNYCGEN-CQSZACIVSA-N 0 3 280.375 3.153 20 30 CGEDHN C=CCN(CCOC)[C@H]1CCCc2ccc(F)cc21 ZINC000362059771 381882220 /nfs/dbraw/zinc/88/22/20/381882220.db2.gz XEWWAWGBCFCOEY-INIZCTEOSA-N 0 3 263.356 3.338 20 30 CGEDHN N#Cc1ccc(F)c(CN(CCO)CC2CCCCC2)c1 ZINC000362596323 382072383 /nfs/dbraw/zinc/07/23/83/382072383.db2.gz LYFYHGJSUWFGSA-UHFFFAOYSA-N 0 3 290.382 3.072 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000363408942 382217447 /nfs/dbraw/zinc/21/74/47/382217447.db2.gz JKCYIYXMXXSSLT-GOSISDBHSA-N 0 3 278.355 3.212 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c(F)c1 ZINC000335368924 208295361 /nfs/dbraw/zinc/29/53/61/208295361.db2.gz PKYVAMHDWBKEBS-NVXWUHKLSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000344452053 533116518 /nfs/dbraw/zinc/11/65/18/533116518.db2.gz CKNYPGUNGWYQHK-ZANVPECISA-N 0 3 280.318 3.328 20 30 CGEDHN CC(C#N)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000351913150 533118259 /nfs/dbraw/zinc/11/82/59/533118259.db2.gz UIYSZUUFPVTEAE-GZMMTYOYSA-N 0 3 288.244 3.095 20 30 CGEDHN C#CCN(CCCSC)[C@H]1CCc2ccccc21 ZINC000741754506 572521936 /nfs/dbraw/zinc/52/19/36/572521936.db2.gz RHGCIIGAFQJXSU-INIZCTEOSA-N 0 3 259.418 3.362 20 30 CGEDHN C=CCOCCNCc1ccc(C)c(Br)c1 ZINC000303552388 542415411 /nfs/dbraw/zinc/41/54/11/542415411.db2.gz ZJAGECNMBDEZCL-UHFFFAOYSA-N 0 3 284.197 3.050 20 30 CGEDHN CC[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCCO1 ZINC000281455661 195247247 /nfs/dbraw/zinc/24/72/47/195247247.db2.gz QVLWVKFIYFCBER-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN C=C(C)CCN[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000351751757 542551789 /nfs/dbraw/zinc/55/17/89/542551789.db2.gz KWEKGWOFINRFHT-MRXNPFEDSA-N 0 3 255.365 3.065 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000358448266 533503567 /nfs/dbraw/zinc/50/35/67/533503567.db2.gz QTAFRXWZWDGEIT-HWWQOWPSSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@@H](N[C@H]1CS[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000414225254 533548054 /nfs/dbraw/zinc/54/80/54/533548054.db2.gz IOJCPMHJMYDNII-GIPNMCIBSA-N 0 3 264.369 3.242 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CCS[C@H]1C ZINC000385953699 542603118 /nfs/dbraw/zinc/60/31/18/542603118.db2.gz AGFFHOMUFMJDEG-JSGCOSHPSA-N 0 3 263.406 3.235 20 30 CGEDHN COc1ccc([C@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 ZINC000190704405 130137254 /nfs/dbraw/zinc/13/72/54/130137254.db2.gz WXTJLEUNAGTTCJ-GOSISDBHSA-N 0 3 297.402 3.392 20 30 CGEDHN CC(C)c1ccccc1OCCNCc1cc(C#N)n(C)c1 ZINC000191006939 130171399 /nfs/dbraw/zinc/17/13/99/130171399.db2.gz FCVTZJAEDLVPAP-UHFFFAOYSA-N 0 3 297.402 3.189 20 30 CGEDHN C[C@H](N[C@@H]1CCCC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000191304139 130218694 /nfs/dbraw/zinc/21/86/94/130218694.db2.gz HNTQRXOPLDDTIB-SWLSCSKDSA-N 0 3 285.391 3.054 20 30 CGEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cc(C#N)n(C)c1 ZINC000191385794 130229976 /nfs/dbraw/zinc/22/99/76/130229976.db2.gz MWYZJIWBCSDZFR-CJNGLKHVSA-N 0 3 297.377 3.414 20 30 CGEDHN C=CCN(CCc1ccccn1)Cc1cccc(C#N)c1 ZINC000063300917 392136946 /nfs/dbraw/zinc/13/69/46/392136946.db2.gz OGNDFZOMXCIDCS-UHFFFAOYSA-N 0 3 277.371 3.184 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)CC(C)(C)COC ZINC000426420772 542649797 /nfs/dbraw/zinc/64/97/97/542649797.db2.gz OYSQSFJQMIFVJK-UHFFFAOYSA-N 0 3 272.392 3.219 20 30 CGEDHN C=C(Cl)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285822771 392335786 /nfs/dbraw/zinc/33/57/86/392335786.db2.gz GUOAMRRODQWRFP-PMPSAXMXSA-N 0 3 277.795 3.243 20 30 CGEDHN C=CCC[C@H](N[C@@H](CO)Cc1ccccc1)c1ccco1 ZINC000286124507 392377768 /nfs/dbraw/zinc/37/77/68/392377768.db2.gz NUHVZIDHPZIXOO-SJORKVTESA-N 0 3 285.387 3.480 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000121166474 392411043 /nfs/dbraw/zinc/41/10/43/392411043.db2.gz BPLKOJKKJBZJIO-CQSZACIVSA-N 0 3 260.381 3.220 20 30 CGEDHN C=CCC[C@@H](CCC)N[C@H](c1nncn1C)C(C)C ZINC000289070423 392413753 /nfs/dbraw/zinc/41/37/53/392413753.db2.gz AEMBVQXRJCDCMD-KGLIPLIRSA-N 0 3 264.417 3.237 20 30 CGEDHN C#C[C@@H](N[C@@H](C)CC(=O)Nc1cccc(C)c1C)C(C)C ZINC000289621420 392426435 /nfs/dbraw/zinc/42/64/35/392426435.db2.gz WJHQHLCUWPWVOX-GOEBONIOSA-N 0 3 286.419 3.268 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC)c2ccccc21 ZINC000289716942 392429481 /nfs/dbraw/zinc/42/94/81/392429481.db2.gz JJIHMINHHUGUNK-OLZOCXBDSA-N 0 3 271.360 3.046 20 30 CGEDHN COc1ccc(CN2CCC[C@@H]2C)cc1OCCCC#N ZINC000124386131 392433910 /nfs/dbraw/zinc/43/39/10/392433910.db2.gz XWMSNSGFPBTKNO-AWEZNQCLSA-N 0 3 288.391 3.362 20 30 CGEDHN CCCCCCCN1C[C@@H](C)OC2(CCOCC2)C1 ZINC000366096115 392449722 /nfs/dbraw/zinc/44/97/22/392449722.db2.gz QHOBVBNQXJZAOB-OAHLLOKOSA-N 0 3 269.429 3.227 20 30 CGEDHN C=CCN1CCC(Nc2cc(C#N)nc3ccccc32)CC1 ZINC000301391192 392588541 /nfs/dbraw/zinc/58/85/41/392588541.db2.gz HATWJQQLXKVKAK-UHFFFAOYSA-N 0 3 292.386 3.169 20 30 CGEDHN C#CCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000374431662 392677519 /nfs/dbraw/zinc/67/75/19/392677519.db2.gz YRCBSDPCEVACIB-INIZCTEOSA-N 0 3 277.795 3.109 20 30 CGEDHN CC#CCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374503447 392679987 /nfs/dbraw/zinc/67/99/87/392679987.db2.gz IPOGKBKINRHJLW-LBPRGKRZSA-N 0 3 259.315 3.454 20 30 CGEDHN C=CCC[C@@H](NCC(C)(C)[C@]1(O)CCOC1)c1ccco1 ZINC000647342618 392691234 /nfs/dbraw/zinc/69/12/34/392691234.db2.gz UEEBKKYEHASZPI-PBHICJAKSA-N 0 3 293.407 3.054 20 30 CGEDHN COC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177168666 392659741 /nfs/dbraw/zinc/65/97/41/392659741.db2.gz WOOBZGXUDRWCQP-OAHLLOKOSA-N 0 3 277.795 3.050 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3ccccc3OC2)c(F)c1 ZINC000509437924 392751619 /nfs/dbraw/zinc/75/16/19/392751619.db2.gz IRAGPDDHPGCSRF-MRXNPFEDSA-N 0 3 296.345 3.181 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647346176 392696852 /nfs/dbraw/zinc/69/68/52/392696852.db2.gz RXVYEELQSOCKKT-ZENOOKHLSA-N 0 3 265.372 3.440 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)CCC(=O)OC(C)(C)C ZINC000186256729 392780364 /nfs/dbraw/zinc/78/03/64/392780364.db2.gz AAAQXJHCOVZPIX-UHFFFAOYSA-N 0 3 288.391 3.030 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@]2(CCOC2)C1 ZINC000335241959 392784733 /nfs/dbraw/zinc/78/47/33/392784733.db2.gz UDIUWQUQLYBGAX-PBHICJAKSA-N 0 3 270.376 3.122 20 30 CGEDHN N#Cc1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000519704087 392884867 /nfs/dbraw/zinc/88/48/67/392884867.db2.gz HCFOMUUPIXWHGD-IMRBUKKESA-N 0 3 280.293 3.465 20 30 CGEDHN Cc1c[nH]cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000338146707 392898857 /nfs/dbraw/zinc/89/88/57/392898857.db2.gz HXTKOCKAFNNQLK-JTQLQIEISA-N 0 3 293.248 3.227 20 30 CGEDHN C=C1CCN(Cc2ccc(O)c3nc(C)ccc23)CC1 ZINC000338314515 392909038 /nfs/dbraw/zinc/90/90/38/392909038.db2.gz LOBZKTMRJMNEGK-UHFFFAOYSA-N 0 3 268.360 3.401 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338362105 392912608 /nfs/dbraw/zinc/91/26/08/392912608.db2.gz TWUDQUMANFOYTH-OLZOCXBDSA-N 0 3 291.357 3.368 20 30 CGEDHN CC[C@H](CC#N)NCc1ccccc1CN[C@@H](CC)CC#N ZINC000519648784 392877470 /nfs/dbraw/zinc/87/74/70/392877470.db2.gz OSOVSOMCOCTAKZ-HDICACEKSA-N 0 3 298.434 3.250 20 30 CGEDHN C=CC[C@H]1N(Cc2snnc2C)CCCC1(C)C ZINC000519643766 392877710 /nfs/dbraw/zinc/87/77/10/392877710.db2.gz CJLRWNQPUJKNTG-CYBMUJFWSA-N 0 3 265.426 3.413 20 30 CGEDHN C=CCOCCN(CCC)Cc1ccc(F)cc1 ZINC000338934415 392936698 /nfs/dbraw/zinc/93/66/98/392936698.db2.gz GWMHOBMKOBLFGT-UHFFFAOYSA-N 0 3 251.345 3.240 20 30 CGEDHN COc1ccccc1[C@@H](CC(C)C)NCCOCCC#N ZINC000339077917 392945249 /nfs/dbraw/zinc/94/52/49/392945249.db2.gz YNMAYWSCRADAJU-MRXNPFEDSA-N 0 3 290.407 3.302 20 30 CGEDHN C[C@H]1CCN(CCOCCC#N)[C@@H]1c1cccc(F)c1 ZINC000339011193 392941226 /nfs/dbraw/zinc/94/12/26/392941226.db2.gz QOVIASJPPPSTOP-BBRMVZONSA-N 0 3 276.355 3.139 20 30 CGEDHN COc1ccc([C@@H](NCc2cccc(C#N)c2)C2CC2)cn1 ZINC000527840052 392961252 /nfs/dbraw/zinc/96/12/52/392961252.db2.gz BTSGXBOKGCYOID-SFHVURJKSA-N 0 3 293.370 3.203 20 30 CGEDHN C[C@@H](CC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000404126467 392963020 /nfs/dbraw/zinc/96/30/20/392963020.db2.gz QTWATKQGKYRGTK-QMMMGPOBSA-N 0 3 260.234 3.128 20 30 CGEDHN CCCN(CCN1CCCCCC1)c1ncccc1C#N ZINC000341075431 392982841 /nfs/dbraw/zinc/98/28/41/392982841.db2.gz VRQBCIZEDUFOTJ-UHFFFAOYSA-N 0 3 286.423 3.046 20 30 CGEDHN COCC1(C#N)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411772727 392988332 /nfs/dbraw/zinc/98/83/32/392988332.db2.gz VQAKHCPFPQYFJG-UHFFFAOYSA-N 0 3 289.423 3.103 20 30 CGEDHN N#CCc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411921152 392991106 /nfs/dbraw/zinc/99/11/06/392991106.db2.gz HFVDADQRNWOCGL-MOPGFXCFSA-N 0 3 292.382 3.061 20 30 CGEDHN COC(=O)c1cccc(CN(CC(C)C)C(C)C)c1C#N ZINC000533778194 392998584 /nfs/dbraw/zinc/99/85/84/392998584.db2.gz QUVDMSTYLDUJGH-UHFFFAOYSA-N 0 3 288.391 3.211 20 30 CGEDHN CSCC[C@H](C)N(C)Cc1cccc(C#N)c1F ZINC000219526502 393001904 /nfs/dbraw/zinc/00/19/04/393001904.db2.gz QHHGLHNIJQJFHK-NSHDSACASA-N 0 3 266.385 3.271 20 30 CGEDHN CC(C#N)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000345512891 393056865 /nfs/dbraw/zinc/05/68/65/393056865.db2.gz VONMURDRGWCWAB-WMLDXEAASA-N 0 3 294.354 3.083 20 30 CGEDHN CC(C)SCCNC(=O)C(C#N)CCc1ccccc1 ZINC000345533353 393059865 /nfs/dbraw/zinc/05/98/65/393059865.db2.gz PRJOBFXZQDMGFE-HNNXBMFYSA-N 0 3 290.432 3.017 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCc2ccccc2C1 ZINC000346216505 393080430 /nfs/dbraw/zinc/08/04/30/393080430.db2.gz SLDMYWPULOSOIO-MRXNPFEDSA-N 0 3 298.430 3.024 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(C)CCC1 ZINC000348638495 393127161 /nfs/dbraw/zinc/12/71/61/393127161.db2.gz BRWMGSFHFCDALK-UHFFFAOYSA-N 0 3 263.381 3.340 20 30 CGEDHN Cc1cc(CCNCc2ccc(C#N)cc2F)cc(C)c1O ZINC000468755466 393159776 /nfs/dbraw/zinc/15/97/76/393159776.db2.gz AFSSSMNVLJSEHW-UHFFFAOYSA-N 0 3 298.361 3.352 20 30 CGEDHN CC1(C)C[C@@H](N[C@@H](CCC#N)c2ccccc2)CO1 ZINC000417948759 393357585 /nfs/dbraw/zinc/35/75/85/393357585.db2.gz JIAUIGFQOQDOMP-CABCVRRESA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCN(CCc1cncc(C)n1)Cc1cccs1 ZINC000649475695 393442190 /nfs/dbraw/zinc/44/21/90/393442190.db2.gz KPWCISSBOYGWBS-UHFFFAOYSA-N 0 3 273.405 3.077 20 30 CGEDHN Cc1cc(CN2CCC[C@@H](OCC3CC3)C2)ccc1C#N ZINC000488079050 393454532 /nfs/dbraw/zinc/45/45/32/393454532.db2.gz KBYGDVWGSAYWKU-GOSISDBHSA-N 0 3 284.403 3.258 20 30 CGEDHN C[C@H]1CC[C@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000429561276 393479374 /nfs/dbraw/zinc/47/93/74/393479374.db2.gz QFTXCRMWIOUFFF-ZFWWWQNUSA-N 0 3 267.376 3.431 20 30 CGEDHN C[C@@H]1CC[C@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000429561274 393479424 /nfs/dbraw/zinc/47/94/24/393479424.db2.gz QFTXCRMWIOUFFF-HIFRSBDPSA-N 0 3 267.376 3.431 20 30 CGEDHN Cc1cc(CN(C)[C@H](CCO)c2ccccc2)ccc1C#N ZINC000488415295 393504517 /nfs/dbraw/zinc/50/45/17/393504517.db2.gz AFURVGDZSHEZOP-LJQANCHMSA-N 0 3 294.398 3.422 20 30 CGEDHN C=CC[C@@H]1N(Cc2cc3n(n2)CCC3)CCCC1(C)C ZINC000649594088 393506365 /nfs/dbraw/zinc/50/63/65/393506365.db2.gz NNDIEHFLQKVGBN-INIZCTEOSA-N 0 3 273.424 3.396 20 30 CGEDHN C=CCOCCN(C)[C@@H](C)CSc1ccccc1 ZINC000649666374 393535557 /nfs/dbraw/zinc/53/55/57/393535557.db2.gz PMCOJGGJIHJSNB-AWEZNQCLSA-N 0 3 265.422 3.302 20 30 CGEDHN Cc1cc(CN2CCS[C@@H](C)CC2)ccc1C#N ZINC000489032479 393572655 /nfs/dbraw/zinc/57/26/55/393572655.db2.gz ARTCGEKRWMGJEH-ZDUSSCGKSA-N 0 3 260.406 3.194 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)C1(C)CCCC1 ZINC000489876426 393619214 /nfs/dbraw/zinc/61/92/14/393619214.db2.gz QNCFKTDNLZWMLY-UHFFFAOYSA-N 0 3 258.365 3.331 20 30 CGEDHN Cc1nsc(NCC(C)(C)N2CCC[C@@H](C)C2)c1C#N ZINC000360962060 393624766 /nfs/dbraw/zinc/62/47/66/393624766.db2.gz VVPKFJYRBVMBNJ-LLVKDONJSA-N 0 3 292.452 3.246 20 30 CGEDHN C=CCOc1ccccc1CN(CC)C[C@H](C)OC ZINC000361016856 393643308 /nfs/dbraw/zinc/64/33/08/393643308.db2.gz JUYRGHOFHLSQGA-AWEZNQCLSA-N 0 3 263.381 3.108 20 30 CGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCCCC#N)C1 ZINC000491098528 393665235 /nfs/dbraw/zinc/66/52/35/393665235.db2.gz PVUVRMPOVBYXQD-CQSZACIVSA-N 0 3 295.427 3.012 20 30 CGEDHN C#CCN[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000491733413 393698825 /nfs/dbraw/zinc/69/88/25/393698825.db2.gz MWJQXYWEIJAAHS-CYBMUJFWSA-N 0 3 252.317 3.158 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)cccc1OC ZINC000435747187 393715304 /nfs/dbraw/zinc/71/53/04/393715304.db2.gz FIDUNRSPGGTTOP-WBMJQRKESA-N 0 3 295.810 3.419 20 30 CGEDHN Cc1cc(CNCCSCC(C)C)ccc1C#N ZINC000443988270 393779998 /nfs/dbraw/zinc/77/99/98/393779998.db2.gz LWQVTJCHWJPICY-UHFFFAOYSA-N 0 3 262.422 3.346 20 30 CGEDHN C=CCN(Cc1ccc(O[C@H](C)COC)cc1)C1CC1 ZINC000667982821 542953084 /nfs/dbraw/zinc/95/30/84/542953084.db2.gz RHAKEZOKCUBJOY-CQSZACIVSA-N 0 3 275.392 3.251 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000668369854 543007538 /nfs/dbraw/zinc/00/75/38/543007538.db2.gz GSCFIFRIZVMUDH-SFHVURJKSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cccc3nccn32)C1 ZINC000668493676 543020030 /nfs/dbraw/zinc/02/00/30/543020030.db2.gz QHENEVVLGUTHOG-CQSZACIVSA-N 0 3 255.365 3.122 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000668494384 543020423 /nfs/dbraw/zinc/02/04/23/543020423.db2.gz YMMBFDXBACUZDQ-ZDUSSCGKSA-N 0 3 257.381 3.142 20 30 CGEDHN C=CCC[C@@H](CC)N[C@H](CO)c1ccc(F)cc1F ZINC000668745913 543055316 /nfs/dbraw/zinc/05/53/16/543055316.db2.gz IEADTNKPLSSYSA-IUODEOHRSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCOc1ccc(CN(C)CC2=CCSC2)cc1 ZINC000668775730 543060612 /nfs/dbraw/zinc/06/06/12/543060612.db2.gz OLDFNYKUKNUBDL-UHFFFAOYSA-N 0 3 275.417 3.356 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)COc1ccccc1C(C)C ZINC000046345454 397628259 /nfs/dbraw/zinc/62/82/59/397628259.db2.gz IHURFSZMRUGIRI-INIZCTEOSA-N 0 3 289.419 3.224 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](CO)C[C@@H](C)CC ZINC000647242912 397715011 /nfs/dbraw/zinc/71/50/11/397715011.db2.gz ANKFIVOJMKBCFW-HOCLYGCPSA-N 0 3 277.408 3.138 20 30 CGEDHN COCC#CCN1CCCC[C@H]1c1ccc(C)cc1 ZINC000677816880 543467167 /nfs/dbraw/zinc/46/71/67/543467167.db2.gz CELUYMOLXCLFGW-KRWDZBQOSA-N 0 3 257.377 3.172 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000678744209 543551957 /nfs/dbraw/zinc/55/19/57/543551957.db2.gz ZYXHWLCOXHZLOJ-UONOGXRCSA-N 0 3 275.392 3.465 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000678895965 543569338 /nfs/dbraw/zinc/56/93/38/543569338.db2.gz XBDBCNXRWOCLBO-ACJLOTCBSA-N 0 3 285.387 3.300 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C)CC2)cc1C#N ZINC000087833412 165188805 /nfs/dbraw/zinc/18/88/05/165188805.db2.gz IBQNINPJDIOMFK-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1ccc(C#N)cc1OC ZINC000091098629 165257329 /nfs/dbraw/zinc/25/73/29/165257329.db2.gz FOIOYAICJSSXJJ-AWEZNQCLSA-N 0 3 278.421 3.140 20 30 CGEDHN CN(C)[C@@H](CNCc1cccc(C#N)c1)c1cccs1 ZINC000020147580 171034468 /nfs/dbraw/zinc/03/44/68/171034468.db2.gz YJSYTZSOEDVTFP-HNNXBMFYSA-N 0 3 285.416 3.012 20 30 CGEDHN CC(=O)Nc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000127294554 287284620 /nfs/dbraw/zinc/28/46/20/287284620.db2.gz INYFJWBCPJDQSL-UHFFFAOYSA-N 0 3 293.370 3.149 20 30 CGEDHN Cc1nc(C)c([C@@H](C)NCc2ccc(C#N)cc2)s1 ZINC000040445706 174265009 /nfs/dbraw/zinc/26/50/09/174265009.db2.gz MMYCRZGTAGXETL-SNVBAGLBSA-N 0 3 271.389 3.482 20 30 CGEDHN C=C(CNCc1cc(O)cc(F)c1)c1ccccc1 ZINC000349569564 416541774 /nfs/dbraw/zinc/54/17/74/416541774.db2.gz PKZIFFQEGMKUBM-UHFFFAOYSA-N 0 3 257.308 3.334 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000680427675 543710639 /nfs/dbraw/zinc/71/06/39/543710639.db2.gz WTJJYHGBHCMSEC-ZJOBFFGXSA-N 0 3 257.377 3.331 20 30 CGEDHN C[C@H]1CCC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000130655563 287360290 /nfs/dbraw/zinc/36/02/90/287360290.db2.gz YDMWAYNOMLHCCA-DZGCQCFKSA-N 0 3 282.391 3.216 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000684005280 543960031 /nfs/dbraw/zinc/96/00/31/543960031.db2.gz PLZNTGJHIDQBNY-OAHLLOKOSA-N 0 3 285.435 3.201 20 30 CGEDHN C=C(C)[C@H](CO)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000684620986 544021376 /nfs/dbraw/zinc/02/13/76/544021376.db2.gz RZAUDEMQVSOYGQ-INIZCTEOSA-N 0 3 277.795 3.366 20 30 CGEDHN COc1cc([C@@H](C)NCc2ccc(CC#N)cc2)ccn1 ZINC000347688232 226235712 /nfs/dbraw/zinc/23/57/12/226235712.db2.gz UTYNKFSQWRIJLO-CYBMUJFWSA-N 0 3 281.359 3.007 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000336425853 227002083 /nfs/dbraw/zinc/00/20/83/227002083.db2.gz FVQUHJRHOYDVEV-NSHDSACASA-N 0 3 274.751 3.115 20 30 CGEDHN Cc1ccc(C)c([C@@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000336527719 227096961 /nfs/dbraw/zinc/09/69/61/227096961.db2.gz YYUDCUNGZQCORB-HIFRSBDPSA-N 0 3 256.349 3.127 20 30 CGEDHN N#CCCCCN1CCC2(CC1)OCCc1ccsc12 ZINC000352771826 227203887 /nfs/dbraw/zinc/20/38/87/227203887.db2.gz NZPFMFGIMBEUPY-UHFFFAOYSA-N 0 3 290.432 3.306 20 30 CGEDHN C=C1CCN(CCSc2cccc(OC)c2)CC1 ZINC000659910592 419032019 /nfs/dbraw/zinc/03/20/19/419032019.db2.gz MCLVIDKZHMZMEF-UHFFFAOYSA-N 0 3 263.406 3.439 20 30 CGEDHN C=CCCCCCN(C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000659947034 419042428 /nfs/dbraw/zinc/04/24/28/419042428.db2.gz LKLBQCGJQYRLNB-HRCADAONSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654519897 418981530 /nfs/dbraw/zinc/98/15/30/418981530.db2.gz OPXFGIKULCLRNZ-HRCADAONSA-N 0 3 293.455 3.047 20 30 CGEDHN CC#CCCN1CCC(Cc2nc(CC)cs2)CC1 ZINC000653804033 419088497 /nfs/dbraw/zinc/08/84/97/419088497.db2.gz DMHLBPGTYUZYHK-UHFFFAOYSA-N 0 3 276.449 3.373 20 30 CGEDHN C=CCN(CCCc1c(F)cccc1F)CCOC ZINC000653638448 419063288 /nfs/dbraw/zinc/06/32/88/419063288.db2.gz YWVMGIZBWANOHU-UHFFFAOYSA-N 0 3 269.335 3.032 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OC)c1Cl ZINC000660734703 419186989 /nfs/dbraw/zinc/18/69/89/419186989.db2.gz BTFZCMCGAFGKBR-OLZOCXBDSA-N 0 3 281.783 3.172 20 30 CGEDHN C=CCCn1cc(CNCCc2c(C)cc(C)cc2C)nn1 ZINC000657319409 419248993 /nfs/dbraw/zinc/24/89/93/419248993.db2.gz XMGGKGKMOFZHSE-UHFFFAOYSA-N 0 3 298.434 3.112 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1 ZINC000661386697 419257062 /nfs/dbraw/zinc/25/70/62/419257062.db2.gz UOVSAFSALZZUCT-AWEZNQCLSA-N 0 3 267.376 3.418 20 30 CGEDHN C=CCOCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000656685201 419201840 /nfs/dbraw/zinc/20/18/40/419201840.db2.gz MLKVZPJCKUYDQO-CQSZACIVSA-N 0 3 267.319 3.134 20 30 CGEDHN C=CCN(CC(=O)N(C1CC1)C1CCCC1)C(C)(C)C ZINC000661756425 419295005 /nfs/dbraw/zinc/29/50/05/419295005.db2.gz OMYAWRHTAYYVQF-UHFFFAOYSA-N 0 3 278.440 3.207 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(C(C)C)nn1 ZINC000657529827 419299681 /nfs/dbraw/zinc/29/96/81/419299681.db2.gz IXEZNFJQTRVTNO-HIFRSBDPSA-N 0 3 262.401 3.084 20 30 CGEDHN C=CCOCCCNCc1nc2ccc(F)cc2s1 ZINC000657658877 419320368 /nfs/dbraw/zinc/32/03/68/419320368.db2.gz ILLIYOXQBSDNPI-UHFFFAOYSA-N 0 3 280.368 3.118 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CC)C1CCCCC1 ZINC000662077600 419332540 /nfs/dbraw/zinc/33/25/40/419332540.db2.gz CVCHUJZWYBYTGO-CALCHBBNSA-N 0 3 290.451 3.351 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000662082940 419333433 /nfs/dbraw/zinc/33/34/33/419333433.db2.gz YPFAEWYNRBUDMZ-BHYGNILZSA-N 0 3 284.403 3.221 20 30 CGEDHN C=CCCCCCN[C@@H](CO)c1ccc(F)cc1F ZINC000662163909 419349755 /nfs/dbraw/zinc/34/97/55/419349755.db2.gz VDBPBBXNHIXLEP-HNNXBMFYSA-N 0 3 269.335 3.334 20 30 CGEDHN C=CCC[C@@H](O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000662343383 419398515 /nfs/dbraw/zinc/39/85/15/419398515.db2.gz KVOVUQFCYBZISG-WBVHZDCISA-N 0 3 259.393 3.229 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000657817142 419368743 /nfs/dbraw/zinc/36/87/43/419368743.db2.gz MQIUQIRJGLLQHK-HNAYVOBHSA-N 0 3 297.398 3.463 20 30 CGEDHN C=CCCCCCN(C)C(=O)c1cccc2c1CCNC2 ZINC000662612475 419462536 /nfs/dbraw/zinc/46/25/36/419462536.db2.gz QVQILHAVQBIREL-UHFFFAOYSA-N 0 3 286.419 3.151 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000662953660 419509445 /nfs/dbraw/zinc/50/94/45/419509445.db2.gz OEGUBJRNPPYXLJ-UKRRQHHQSA-N 0 3 274.408 3.184 20 30 CGEDHN C=CCOCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000658207749 419661339 /nfs/dbraw/zinc/66/13/39/419661339.db2.gz WVJJHZRIDZHGEY-HNNXBMFYSA-N 0 3 277.412 3.213 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)c2cnn(C)c2C)cc1 ZINC000035274417 260018464 /nfs/dbraw/zinc/01/84/64/260018464.db2.gz SLVKWZUUTPPZIR-ZDUSSCGKSA-N 0 3 285.391 3.144 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000188534866 260153875 /nfs/dbraw/zinc/15/38/75/260153875.db2.gz ATWJUNADYDDRSV-QGZVFWFLSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(CC[C@H]1CCCO1)Cc1cccs1 ZINC000188592354 260160903 /nfs/dbraw/zinc/16/09/03/260160903.db2.gz GQYRSSUFLIQSEH-CYBMUJFWSA-N 0 3 251.395 3.305 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000107070885 260232246 /nfs/dbraw/zinc/23/22/46/260232246.db2.gz NHEJGEBISSROBD-LSDHHAIUSA-N 0 3 274.408 3.150 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000090451216 260259184 /nfs/dbraw/zinc/25/91/84/260259184.db2.gz CMGGARPLCWWNON-OAHLLOKOSA-N 0 3 293.407 3.337 20 30 CGEDHN COc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443978012 269792985 /nfs/dbraw/zinc/79/29/85/269792985.db2.gz KDGDQQBWZFMGJI-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Cn3cccn3)cc2)C1 ZINC000192630674 262206741 /nfs/dbraw/zinc/20/67/41/262206741.db2.gz ZNYWKPPWCJYHEH-QZTJIDSGSA-N 0 3 294.402 3.103 20 30 CGEDHN N#CCCCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000193142615 262217262 /nfs/dbraw/zinc/21/72/62/262217262.db2.gz WYUDOCRNDZDDDY-UHFFFAOYSA-N 0 3 292.810 3.317 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000497933861 262235603 /nfs/dbraw/zinc/23/56/03/262235603.db2.gz MVMFEXLLNPNGSE-OAHLLOKOSA-N 0 3 288.435 3.225 20 30 CGEDHN C[C@@H](CCC#N)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000411743055 262705666 /nfs/dbraw/zinc/70/56/66/262705666.db2.gz FFMHCCNIWAQUHD-NOLJZWGESA-N 0 3 292.810 3.040 20 30 CGEDHN COc1cccc2cc([C@H](C)NCCCC#N)oc21 ZINC000273304405 263015060 /nfs/dbraw/zinc/01/50/60/263015060.db2.gz VLNWHPKSWLQHMT-NSHDSACASA-N 0 3 258.321 3.396 20 30 CGEDHN COc1cccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000274192967 263021833 /nfs/dbraw/zinc/02/18/33/263021833.db2.gz IJBYMXBYQGHIKC-GUTXKFCHSA-N 0 3 258.365 3.428 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccccc2Cl)C1 ZINC000274220724 263022055 /nfs/dbraw/zinc/02/20/55/263022055.db2.gz PQWKYDLTIHULBB-QWHCGFSZSA-N 0 3 278.783 3.391 20 30 CGEDHN Cc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1[N+](=O)[O-] ZINC000276344126 263036349 /nfs/dbraw/zinc/03/63/49/263036349.db2.gz USVQWHMZQZRYBV-VXGBXAGGSA-N 0 3 261.325 3.246 20 30 CGEDHN CC(C)(C#N)CCN1CCC(Oc2ncccc2F)CC1 ZINC000278278175 263046484 /nfs/dbraw/zinc/04/64/84/263046484.db2.gz JWXRGCNDBPRCFQ-UHFFFAOYSA-N 0 3 291.370 3.004 20 30 CGEDHN CN(Cc1ccc(OC(F)F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278748619 263050399 /nfs/dbraw/zinc/05/03/99/263050399.db2.gz WVRYJHSKZMSOIQ-OLZOCXBDSA-N 0 3 280.318 3.412 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000281948845 263073239 /nfs/dbraw/zinc/07/32/39/263073239.db2.gz LXNPYLXJDVOGIL-OGHNNQOOSA-N 0 3 297.402 3.378 20 30 CGEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CC(C)(C)CCC#N ZINC000282971454 263080114 /nfs/dbraw/zinc/08/01/14/263080114.db2.gz IQEMIXZYUSSSGD-CVEARBPZSA-N 0 3 298.434 3.370 20 30 CGEDHN CC[C@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000293801625 263149981 /nfs/dbraw/zinc/14/99/81/263149981.db2.gz NJGNHYLZTJHGNW-AWEZNQCLSA-N 0 3 266.772 3.311 20 30 CGEDHN Cc1cc(C)c2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000294574546 263163890 /nfs/dbraw/zinc/16/38/90/263163890.db2.gz MGXDOTDTFRGQKI-GDBMZVCRSA-N 0 3 254.377 3.354 20 30 CGEDHN CC[C@H](CC#N)NC[C@@H](C)c1cc(F)cc(F)c1 ZINC000294975368 263170129 /nfs/dbraw/zinc/17/01/29/263170129.db2.gz FWPDBQNOJHJGDX-QMTHXVAHSA-N 0 3 252.308 3.350 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2nccn2-c2ccccc2)C1 ZINC000295132798 263172908 /nfs/dbraw/zinc/17/29/08/263172908.db2.gz YIQWLVVCORBGCK-GJZGRUSLSA-N 0 3 280.375 3.044 20 30 CGEDHN CC(C)(C#N)CCN1CCC(F)(c2ccccn2)CC1 ZINC000295499786 263178501 /nfs/dbraw/zinc/17/85/01/263178501.db2.gz ZZWORDDRZUJURQ-UHFFFAOYSA-N 0 3 275.371 3.282 20 30 CGEDHN CS[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000296357740 263190656 /nfs/dbraw/zinc/19/06/56/263190656.db2.gz QRSWPFNPFNFLSX-AWEZNQCLSA-N 0 3 274.433 3.425 20 30 CGEDHN C[C@@H](CCC#N)N(C)Cc1ccccc1N1CCCC1 ZINC000297805047 263209719 /nfs/dbraw/zinc/20/97/19/263209719.db2.gz ICJCVIYPISIKSX-HNNXBMFYSA-N 0 3 271.408 3.411 20 30 CGEDHN CCCCCCCCNCc1cn2cccnc2n1 ZINC000298538296 263221266 /nfs/dbraw/zinc/22/12/66/263221266.db2.gz STTPKKUGPBLXBG-UHFFFAOYSA-N 0 3 260.385 3.179 20 30 CGEDHN CC[C@@H](N[C@H](C)CCC#N)c1ccc2c(c1)OCCO2 ZINC000299725181 263253911 /nfs/dbraw/zinc/25/39/11/263253911.db2.gz UGGCTAKESASPFL-TZMCWYRMSA-N 0 3 274.364 3.191 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](CC)c1ccccc1 ZINC000341219352 263327570 /nfs/dbraw/zinc/32/75/70/263327570.db2.gz KYJNPXUSGMUUJI-WBVHZDCISA-N 0 3 286.419 3.316 20 30 CGEDHN C=CC[C@H](CO)CNCc1ncc(-c2ccccc2)s1 ZINC000341275647 263329927 /nfs/dbraw/zinc/32/99/27/263329927.db2.gz ADNRGUFSGFRHJG-ZDUSSCGKSA-N 0 3 288.416 3.084 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000341592881 263344045 /nfs/dbraw/zinc/34/40/45/263344045.db2.gz LGVCRUWNCZCRJK-CQSZACIVSA-N 0 3 293.407 3.337 20 30 CGEDHN C=CCN[C@@H](C)c1ccc(SCCOC)cc1 ZINC000341741124 263348613 /nfs/dbraw/zinc/34/86/13/263348613.db2.gz CSUODYBKJFQLMP-LBPRGKRZSA-N 0 3 251.395 3.262 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000341950694 263367838 /nfs/dbraw/zinc/36/78/38/263367838.db2.gz XSEMGAJSRDIRFB-DOMZBBRYSA-N 0 3 288.391 3.413 20 30 CGEDHN N#CCSCCCN1CCC(CC(F)(F)F)CC1 ZINC000341974963 263368923 /nfs/dbraw/zinc/36/89/23/263368923.db2.gz ICMRIPBBOPOBFA-UHFFFAOYSA-N 0 3 280.359 3.298 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H](COCC)C2)c1 ZINC000126566979 264215105 /nfs/dbraw/zinc/21/51/05/264215105.db2.gz XTCJBVOVFDZKLU-QGZVFWFLSA-N 0 3 289.419 3.500 20 30 CGEDHN CC#CCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160150885 264232422 /nfs/dbraw/zinc/23/24/22/264232422.db2.gz LPWHBKPELSBPME-CQSZACIVSA-N 0 3 299.349 3.078 20 30 CGEDHN N#CC(C(=O)c1ccc(Cl)c(F)c1)c1ccccn1 ZINC000161936436 264302375 /nfs/dbraw/zinc/30/23/75/264302375.db2.gz BFCVGXKFIJOGDQ-JTQLQIEISA-N 0 3 274.682 3.364 20 30 CGEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCSC2)cc1 ZINC000181214133 264435702 /nfs/dbraw/zinc/43/57/02/264435702.db2.gz GAFBRSXHDCHLPS-CYBMUJFWSA-N 0 3 285.334 3.152 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000320738379 265025662 /nfs/dbraw/zinc/02/56/62/265025662.db2.gz LQPSOPIDOVKXCP-ZDUSSCGKSA-N 0 3 291.288 3.261 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cccc(C3CC3)c2)C1=O ZINC000295543667 265029675 /nfs/dbraw/zinc/02/96/75/265029675.db2.gz WMMGYOUGBYOUMX-SUMWQHHRSA-N 0 3 284.403 3.002 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)CCC(C)(C)C#N)C12CCC2 ZINC000345706632 265097534 /nfs/dbraw/zinc/09/75/34/265097534.db2.gz GAODRWLQMYNEFW-ZIAGYGMSSA-N 0 3 264.413 3.206 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cccc3cc[nH]c32)C1 ZINC000335685858 265170275 /nfs/dbraw/zinc/17/02/75/265170275.db2.gz YTFUVYOWZUBXLM-SWLSCSKDSA-N 0 3 253.349 3.340 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(SC)CCC1 ZINC000356300845 266091896 /nfs/dbraw/zinc/09/18/96/266091896.db2.gz JTENQQJRSYGWMM-UHFFFAOYSA-N 0 3 295.448 3.436 20 30 CGEDHN C=CCCC1(C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000356962334 266220132 /nfs/dbraw/zinc/22/01/32/266220132.db2.gz VZXOESHJZCJDCD-UHFFFAOYSA-N 0 3 286.419 3.476 20 30 CGEDHN CC(C)c1ccc(CN(C(=O)C(C)C#N)C2CC2)cc1 ZINC000357814451 266370639 /nfs/dbraw/zinc/37/06/39/266370639.db2.gz GFGNGPTXSRXNOH-ZDUSSCGKSA-N 0 3 270.376 3.461 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1CCC(C)C ZINC000362959187 267067449 /nfs/dbraw/zinc/06/74/49/267067449.db2.gz VPIOUGFUFUOGOL-MRXNPFEDSA-N 0 3 278.440 3.088 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC(C2CCOCC2)CC1 ZINC000368460257 267173532 /nfs/dbraw/zinc/17/35/32/267173532.db2.gz ATSHTHBNDYQVPN-UHFFFAOYSA-N 0 3 283.415 3.177 20 30 CGEDHN C[C@@H](CCc1ccccc1F)NCC1(C#N)CCC1 ZINC000418136045 267367834 /nfs/dbraw/zinc/36/78/34/267367834.db2.gz BXAVNQFWVNLKKO-ZDUSSCGKSA-N 0 3 260.356 3.430 20 30 CGEDHN N#Cc1ccc(OCCN2CCCc3ccccc3C2)cc1 ZINC000316708261 268173285 /nfs/dbraw/zinc/17/32/85/268173285.db2.gz RAZHQINRZFECNG-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2nccc3ccccc32)C1 ZINC000335801469 274916876 /nfs/dbraw/zinc/91/68/76/274916876.db2.gz GRDIDDVBRAOKIA-OCCSQVGLSA-N 0 3 251.333 3.017 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2nccc3ccccc32)C1 ZINC000335801468 274917514 /nfs/dbraw/zinc/91/75/14/274917514.db2.gz GRDIDDVBRAOKIA-JSGCOSHPSA-N 0 3 251.333 3.017 20 30 CGEDHN CC(C)(CO)[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000352365917 277304495 /nfs/dbraw/zinc/30/44/95/277304495.db2.gz YVSIELFKZLNDNN-SFHVURJKSA-N 0 3 294.398 3.408 20 30 CGEDHN CC(C)(CO)[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000352365916 277304727 /nfs/dbraw/zinc/30/47/27/277304727.db2.gz YVSIELFKZLNDNN-GOSISDBHSA-N 0 3 294.398 3.408 20 30 CGEDHN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000020121197 278268517 /nfs/dbraw/zinc/26/85/17/278268517.db2.gz NAZVKCGZZNWDEU-STQMWFEESA-N 0 3 251.333 3.365 20 30 CGEDHN Cc1ccc2c(c1)nc(CNC1CCC(C)(C#N)CC1)n2C ZINC000336221558 278892524 /nfs/dbraw/zinc/89/25/24/278892524.db2.gz RWQLPASVYKXPCG-UHFFFAOYSA-N 0 3 296.418 3.444 20 30 CGEDHN C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@H](C)N1C ZINC000338789442 288258581 /nfs/dbraw/zinc/25/85/81/288258581.db2.gz WLVRNLJXYVDYQY-PHIMTYICSA-N 0 3 297.324 3.106 20 30 CGEDHN N#CC1(F)CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348712677 294792096 /nfs/dbraw/zinc/79/20/96/294792096.db2.gz ITNZFWREUVAEPM-LSDHHAIUSA-N 0 3 258.340 3.118 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)C1(C#N)CCCC1 ZINC000177341181 327789184 /nfs/dbraw/zinc/78/91/84/327789184.db2.gz ORIQYILTSASSDF-UHFFFAOYSA-N 0 3 285.391 3.079 20 30 CGEDHN C[C@H](N[C@H]1CSC1(C)C)c1ccc(OCC#N)cc1 ZINC000283499103 328117346 /nfs/dbraw/zinc/11/73/46/328117346.db2.gz YRGSMTFFZJOFND-FZMZJTMJSA-N 0 3 276.405 3.134 20 30 CGEDHN COc1cccc(C2(N[C@@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000278637224 328229010 /nfs/dbraw/zinc/22/90/10/328229010.db2.gz HICVKGIBCDOXIS-DZGCQCFKSA-N 0 3 270.376 3.356 20 30 CGEDHN CCC[C@@H](C)[C@@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000566414117 322121115 /nfs/dbraw/zinc/12/11/15/322121115.db2.gz MGOYRYCKKOMFOH-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)CC[C@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000567111613 322150505 /nfs/dbraw/zinc/15/05/05/322150505.db2.gz PGUWODHOKYQZMC-MRXNPFEDSA-N 0 3 297.406 3.002 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2cccc(F)c2)nc1 ZINC000571951786 322313415 /nfs/dbraw/zinc/31/34/15/322313415.db2.gz IUXGNAPSZUYWDE-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN CN(Cc1ccc(C#N)cn1)CC1(c2ccccc2)CC1 ZINC000572374530 322334035 /nfs/dbraw/zinc/33/40/35/322334035.db2.gz ZEUBGCKYTJMADB-UHFFFAOYSA-N 0 3 277.371 3.117 20 30 CGEDHN CC[C@@H](C)CN(CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000572529427 322341932 /nfs/dbraw/zinc/34/19/32/322341932.db2.gz MGOPLYBTGLENKT-GFCCVEGCSA-N 0 3 275.352 3.334 20 30 CGEDHN C=C(C)CN(CC)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000535062351 328382265 /nfs/dbraw/zinc/38/22/65/328382265.db2.gz QNMHPRKCZOSRIV-CYBMUJFWSA-N 0 3 275.392 3.417 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000290009804 328494435 /nfs/dbraw/zinc/49/44/35/328494435.db2.gz ZRCOSDFFHGOSGL-GXSJLCMTSA-N 0 3 273.348 3.199 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](c2ccccc2C)C(C)C)C1=O ZINC000281955803 328506320 /nfs/dbraw/zinc/50/63/20/328506320.db2.gz JXVHVRQIRAJPBN-IRXDYDNUSA-N 0 3 286.419 3.069 20 30 CGEDHN C#CCSCCN[C@@H](C)c1nccc2ccccc21 ZINC000289532124 328526894 /nfs/dbraw/zinc/52/68/94/328526894.db2.gz AHLRVBSLXKIIGI-ZDUSSCGKSA-N 0 3 270.401 3.252 20 30 CGEDHN N#CCSCCCN(Cc1cccs1)C1CC1 ZINC000074980961 327122767 /nfs/dbraw/zinc/12/27/67/327122767.db2.gz QBLIMZVCKHQADN-UHFFFAOYSA-N 0 3 266.435 3.359 20 30 CGEDHN C=CCCOCCNCc1ccc(C(F)F)cc1 ZINC000236130880 327195092 /nfs/dbraw/zinc/19/50/92/327195092.db2.gz OOURXQSMFQFANP-UHFFFAOYSA-N 0 3 255.308 3.307 20 30 CGEDHN CCO[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)C12CCCCC2 ZINC000560405225 327304929 /nfs/dbraw/zinc/30/49/29/327304929.db2.gz IRMJAUUADVELOF-OWCLPIDISA-N 0 3 289.423 3.147 20 30 CGEDHN C=C(C)CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000560462445 327310792 /nfs/dbraw/zinc/31/07/92/327310792.db2.gz TXRFBMJONXTKDA-CYBMUJFWSA-N 0 3 273.298 3.295 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000565018827 327389608 /nfs/dbraw/zinc/38/96/08/327389608.db2.gz LOIMCOZIWLOFRR-HRCADAONSA-N 0 3 288.366 3.156 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2csc(Br)c2)C1 ZINC000335630635 327503042 /nfs/dbraw/zinc/50/30/42/327503042.db2.gz OLFREFKFDMWGHH-PSASIEDQSA-N 0 3 285.210 3.292 20 30 CGEDHN N#CCC1(CNCc2ccc(C(F)F)cc2)CC1 ZINC000574894015 327508642 /nfs/dbraw/zinc/50/86/42/327508642.db2.gz IGOYLFYNOZIZDT-UHFFFAOYSA-N 0 3 250.292 3.408 20 30 CGEDHN C=CCCN(C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418340222 329170138 /nfs/dbraw/zinc/17/01/38/329170138.db2.gz CFEXFAXNJLUEQV-MRXNPFEDSA-N 0 3 289.423 3.027 20 30 CGEDHN C=C(C)CN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000181045092 329225552 /nfs/dbraw/zinc/22/55/52/329225552.db2.gz SORJRHPDGMUMKA-UHFFFAOYSA-N 0 3 294.402 3.472 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](CC)c1ccc(C)cc1 ZINC000182225257 329240924 /nfs/dbraw/zinc/24/09/24/329240924.db2.gz HDTUCALNSWOSIP-QGZVFWFLSA-N 0 3 286.419 3.236 20 30 CGEDHN CC(C)[C@@H]1CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000395336613 329282802 /nfs/dbraw/zinc/28/28/02/329282802.db2.gz WUWXGZZHNPYGKO-STQMWFEESA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(C)cc1Br ZINC000321486514 329363213 /nfs/dbraw/zinc/36/32/13/329363213.db2.gz RWUTYMYTNKNZGO-ZDUSSCGKSA-N 0 3 298.224 3.174 20 30 CGEDHN C=CCCCCCNCc1ncc(COC)s1 ZINC000583273287 329418167 /nfs/dbraw/zinc/41/81/67/329418167.db2.gz LTTGGFWOJCNTSM-UHFFFAOYSA-N 0 3 254.399 3.126 20 30 CGEDHN C#CCCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000192126220 329428964 /nfs/dbraw/zinc/42/89/64/329428964.db2.gz BCHLZLVFQMNBEZ-MRXNPFEDSA-N 0 3 298.430 3.132 20 30 CGEDHN COc1cc(C)c(CNCc2ccc(CC#N)cc2)c(C)n1 ZINC000583321478 329451102 /nfs/dbraw/zinc/45/11/02/329451102.db2.gz LEQQJUQWQYSHJN-UHFFFAOYSA-N 0 3 295.386 3.063 20 30 CGEDHN C=CC(C)(C)CN[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000419235072 329713742 /nfs/dbraw/zinc/71/37/42/329713742.db2.gz YNVIXIOMBMMBLG-MRXNPFEDSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CCCCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000262988159 330038212 /nfs/dbraw/zinc/03/82/12/330038212.db2.gz OAVARXLFESJHHG-UHFFFAOYSA-N 0 3 286.297 3.459 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1cc2ccccc2o1 ZINC000268520354 330065873 /nfs/dbraw/zinc/06/58/73/330065873.db2.gz ZYKMIIVWCNXOFW-CQSZACIVSA-N 0 3 259.349 3.192 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(OC)cc1F)C(C)C ZINC000421838605 330092469 /nfs/dbraw/zinc/09/24/69/330092469.db2.gz VGVPAWSYLLBZQY-SUMWQHHRSA-N 0 3 295.398 3.306 20 30 CGEDHN CC(C)Sc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424116414 330243581 /nfs/dbraw/zinc/24/35/81/330243581.db2.gz BMCZITIEKFESPE-GFCCVEGCSA-N 0 3 291.420 3.147 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OC(C)C ZINC000424194404 330324384 /nfs/dbraw/zinc/32/43/84/330324384.db2.gz LNBYSYAHHOYRSY-DZGCQCFKSA-N 0 3 288.391 3.264 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc3c(c2)CCCC3)C1 ZINC000424196431 330325129 /nfs/dbraw/zinc/32/51/29/330325129.db2.gz GASGUNYANPAFLP-DYVFJYSZSA-N 0 3 254.377 3.347 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000424316174 330339425 /nfs/dbraw/zinc/33/94/25/330339425.db2.gz AQYPISXIPOSGMY-SGMGOOAPSA-N 0 3 297.402 3.259 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000121048524 330395322 /nfs/dbraw/zinc/39/53/22/330395322.db2.gz QUEJUAXBXLFEDN-HOTGVXAUSA-N 0 3 288.435 3.193 20 30 CGEDHN Cc1nn(-c2ccccc2)c(C)c1CNCC1(CC#N)CC1 ZINC000430019836 330557385 /nfs/dbraw/zinc/55/73/85/330557385.db2.gz NRDCJKRDCYEEGE-UHFFFAOYSA-N 0 3 294.402 3.273 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000442788218 330783646 /nfs/dbraw/zinc/78/36/46/330783646.db2.gz WKMQVPNBMIDCSY-DGCLKSJQSA-N 0 3 298.308 3.366 20 30 CGEDHN CCc1cnccc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000446809331 330854790 /nfs/dbraw/zinc/85/47/90/330854790.db2.gz IEWAORRKQAOGKN-GUTXKFCHSA-N 0 3 257.381 3.377 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)C=C)C(C)C ZINC000448975140 330889955 /nfs/dbraw/zinc/88/99/55/330889955.db2.gz NLCHZDLVVBKRLM-HNNXBMFYSA-N 0 3 278.440 3.013 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)C=C)C(C)C ZINC000448975141 330890058 /nfs/dbraw/zinc/89/00/58/330890058.db2.gz NLCHZDLVVBKRLM-OAHLLOKOSA-N 0 3 278.440 3.013 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1nnc2n1CCCCC2 ZINC000449058638 330895968 /nfs/dbraw/zinc/89/59/68/330895968.db2.gz KVLNLAMNQOVZPK-CQSZACIVSA-N 0 3 276.428 3.229 20 30 CGEDHN CCc1noc(C)c1CNC1CCC(C)(C#N)CC1 ZINC000449340218 330916152 /nfs/dbraw/zinc/91/61/52/330916152.db2.gz NEYPJYQCZPGEPL-UHFFFAOYSA-N 0 3 261.369 3.108 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)cc1 ZINC000449547197 330935369 /nfs/dbraw/zinc/93/53/69/330935369.db2.gz HDEYZQAHPIJTAI-KGLIPLIRSA-N 0 3 251.757 3.163 20 30 CGEDHN C=C(CC)CNCc1cnc([C@@H]2CCCO2)s1 ZINC000449737823 330947419 /nfs/dbraw/zinc/94/74/19/330947419.db2.gz ZUNGTLBZSQNPOG-LBPRGKRZSA-N 0 3 252.383 3.050 20 30 CGEDHN C=CCCN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451915249 331047240 /nfs/dbraw/zinc/04/72/40/331047240.db2.gz TZPQKXOTOHPPDU-ZDUSSCGKSA-N 0 3 274.191 3.367 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CCC1 ZINC000452342076 331062791 /nfs/dbraw/zinc/06/27/91/331062791.db2.gz GBVWUOPLTOQYJI-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C[C@@]1(F)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000452578069 331069501 /nfs/dbraw/zinc/06/95/01/331069501.db2.gz NVSLCJBMBXJCGT-DOTOQJQBSA-N 0 3 288.366 3.110 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000453346426 331119995 /nfs/dbraw/zinc/11/99/95/331119995.db2.gz ICKWYAHMXSXXNU-AAEUAGOBSA-N 0 3 283.799 3.326 20 30 CGEDHN C=CCC[C@@H](NC[C@@H]1CCCC[C@H]1O)c1ccco1 ZINC000453355909 331121627 /nfs/dbraw/zinc/12/16/27/331121627.db2.gz IBGURFKWSSLEAG-RRFJBIMHSA-N 0 3 263.381 3.428 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnn(C2CCCC2)c1 ZINC000453367473 331123493 /nfs/dbraw/zinc/12/34/93/331123493.db2.gz TZSFPRPGUYLRDT-XYPHTWIQSA-N 0 3 289.423 3.382 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1N(C)C ZINC000453369978 331123884 /nfs/dbraw/zinc/12/38/84/331123884.db2.gz VFRZSTAPDMNIFP-LXZKKBNFSA-N 0 3 274.408 3.137 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453372879 331124256 /nfs/dbraw/zinc/12/42/56/331124256.db2.gz VIEFMQNSKBEDTE-GOEBONIOSA-N 0 3 299.418 3.065 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1nccc2ccccc21 ZINC000453376684 331124962 /nfs/dbraw/zinc/12/49/62/331124962.db2.gz XYKKVNHVEPJUDJ-MAZHCROVSA-N 0 3 268.360 3.229 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CCCCC1 ZINC000457098846 331212300 /nfs/dbraw/zinc/21/23/00/331212300.db2.gz UQMVKQXGPFZHJC-MRXNPFEDSA-N 0 3 292.467 3.454 20 30 CGEDHN CC#CCCNCc1ccc(C)c(Br)c1 ZINC000164527065 331249052 /nfs/dbraw/zinc/24/90/52/331249052.db2.gz HAABRKQTRMHCLC-UHFFFAOYSA-N 0 3 266.182 3.261 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000459490622 331284806 /nfs/dbraw/zinc/28/48/06/331284806.db2.gz YKWMCNVIHBOFMC-HUUCEWRRSA-N 0 3 290.838 3.106 20 30 CGEDHN CCOc1ccc(CNCC(C)(C)CC#N)cc1OC ZINC000459703493 331295137 /nfs/dbraw/zinc/29/51/37/331295137.db2.gz WHTCMZHGSVZPLY-UHFFFAOYSA-N 0 3 276.380 3.123 20 30 CGEDHN CC(C)(CC#N)CNCc1cc(Cl)cc2c1OCC2 ZINC000459725581 331295979 /nfs/dbraw/zinc/29/59/79/331295979.db2.gz DBQISEUZUHKLMB-UHFFFAOYSA-N 0 3 278.783 3.304 20 30 CGEDHN COc1ccc(CNCC(C)(C)CC#N)c(OC(F)F)c1 ZINC000459727491 331296141 /nfs/dbraw/zinc/29/61/41/331296141.db2.gz GPXLKHIKHNNSAA-UHFFFAOYSA-N 0 3 298.333 3.326 20 30 CGEDHN COc1cc(C)c(CNCC(C)(C)CC#N)cc1OC ZINC000459732032 331296687 /nfs/dbraw/zinc/29/66/87/331296687.db2.gz OCWDLNWMIDQNNZ-UHFFFAOYSA-N 0 3 276.380 3.042 20 30 CGEDHN CC#CCCN1CCN(c2ccccc2)C[C@H]1CC ZINC000462444950 331322152 /nfs/dbraw/zinc/32/21/52/331322152.db2.gz AUPAYWLTHLIQNU-MRXNPFEDSA-N 0 3 256.393 3.001 20 30 CGEDHN C=CCC(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000490104673 332081694 /nfs/dbraw/zinc/08/16/94/332081694.db2.gz UJLJYKDICNVFHG-INIZCTEOSA-N 0 3 284.403 3.477 20 30 CGEDHN C#C[C@H](CC)NCc1cccc(OCc2ccccn2)c1 ZINC000491749370 332326413 /nfs/dbraw/zinc/32/64/13/332326413.db2.gz ZCXPRKXKFRCKIK-MRXNPFEDSA-N 0 3 280.371 3.162 20 30 CGEDHN C#C[C@H](CC)NCc1cnc(-c2ccsc2)s1 ZINC000491772405 332338655 /nfs/dbraw/zinc/33/86/55/332338655.db2.gz TWZWUOLTLYRRJA-LLVKDONJSA-N 0 3 262.403 3.373 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CCN(CC2CCCCC2)CC1 ZINC000505284675 332736063 /nfs/dbraw/zinc/73/60/63/332736063.db2.gz XVAUJBVJCFYEOZ-LJQANCHMSA-N 0 3 297.446 3.449 20 30 CGEDHN CC(C)[C@@H](CCN(C)CCCC#N)NC(=O)OC(C)(C)C ZINC000178464968 333073203 /nfs/dbraw/zinc/07/32/03/333073203.db2.gz KSCJGDDSQDDUFU-CQSZACIVSA-N 0 3 297.443 3.161 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000523007822 333304402 /nfs/dbraw/zinc/30/44/02/333304402.db2.gz YHSUYKXBQWPCFU-HNNXBMFYSA-N 0 3 288.435 3.324 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccc(C#N)cc1F ZINC000174360027 335153194 /nfs/dbraw/zinc/15/31/94/335153194.db2.gz NFJJXTGQALPMQK-UHFFFAOYSA-N 0 3 259.328 3.117 20 30 CGEDHN N#CCC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000542855195 333845747 /nfs/dbraw/zinc/84/57/47/333845747.db2.gz YNYMVFZZQQJYGQ-OWOJBTEDSA-N 0 3 258.340 3.465 20 30 CGEDHN C=C(C)COCCNCc1cnc(C2CCC2)s1 ZINC000134504106 334092650 /nfs/dbraw/zinc/09/26/50/334092650.db2.gz SIIRXRBSKZGVGF-UHFFFAOYSA-N 0 3 266.410 3.093 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(-n2ccnn2)cc1 ZINC000248998704 334324377 /nfs/dbraw/zinc/32/43/77/334324377.db2.gz PSLBOCFKERDYMT-LZWOXQAQSA-N 0 3 295.390 3.000 20 30 CGEDHN C=CCCCCNCc1ccc(OC)c(OC)c1OC ZINC000336841571 334428748 /nfs/dbraw/zinc/42/87/48/334428748.db2.gz RYPLLGXCXPUITI-UHFFFAOYSA-N 0 3 279.380 3.158 20 30 CGEDHN CC[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)N(CC)CC ZINC000555210648 334471088 /nfs/dbraw/zinc/47/10/88/334471088.db2.gz YMTHAYQJROAHIK-NVXWUHKLSA-N 0 3 293.455 3.086 20 30 CGEDHN C=CCCCCCN[C@@H](CO)c1ccccc1OC ZINC000569297500 334865699 /nfs/dbraw/zinc/86/56/99/334865699.db2.gz CQRNOSGMUJFGQP-HNNXBMFYSA-N 0 3 263.381 3.065 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)cs1)Oc1ccccc1 ZINC000177701548 335380011 /nfs/dbraw/zinc/38/00/11/335380011.db2.gz LSYWUOFZVGZNEI-LBPRGKRZSA-N 0 3 272.373 3.177 20 30 CGEDHN CN(C)[C@H]1CCOc2c(Nc3cccc(C#N)n3)cccc21 ZINC000579300689 335732344 /nfs/dbraw/zinc/73/23/44/335732344.db2.gz UXTNLWCIKYJRQC-HNNXBMFYSA-N 0 3 294.358 3.082 20 30 CGEDHN CC[C@@H](C)[C@H](C)N(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000581421063 336074361 /nfs/dbraw/zinc/07/43/61/336074361.db2.gz JLFSRABOHGGSAU-KGLIPLIRSA-N 0 3 299.418 3.396 20 30 CGEDHN C[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581728961 336138836 /nfs/dbraw/zinc/13/88/36/336138836.db2.gz CMDOYZUECMULKU-RISCZKNCSA-N 0 3 273.336 3.087 20 30 CGEDHN C[C@H](NC[C@H]1CCC(C)(C)O1)c1ccc(C#N)cc1F ZINC000427965347 533905857 /nfs/dbraw/zinc/90/58/57/533905857.db2.gz MIYTUNPPEWFVPQ-WCQYABFASA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ccncn2)C1 ZINC000365415802 534048241 /nfs/dbraw/zinc/04/82/41/534048241.db2.gz YOADBLGKFHSGIB-WMLDXEAASA-N 0 3 292.386 3.289 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC000359506013 534111654 /nfs/dbraw/zinc/11/16/54/534111654.db2.gz IEPQMEBBDQFUKS-KBXCAEBGSA-N 0 3 292.386 3.201 20 30 CGEDHN C[C@]1(NCc2ccc(C#N)cc2Cl)CCO[C@@H]1C1CC1 ZINC000439438634 534180233 /nfs/dbraw/zinc/18/02/33/534180233.db2.gz MKVRFQHKYRBNNU-CVEARBPZSA-N 0 3 290.794 3.259 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000336236886 534281921 /nfs/dbraw/zinc/28/19/21/534281921.db2.gz IIPZBESFWZATNB-GHMZBOCLSA-N 0 3 256.305 3.112 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000347362373 534283979 /nfs/dbraw/zinc/28/39/79/534283979.db2.gz BSWFRLBTMAELES-OLZOCXBDSA-N 0 3 279.343 3.085 20 30 CGEDHN CN(C)c1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000102675132 522170394 /nfs/dbraw/zinc/17/03/94/522170394.db2.gz JFBKFROVXSZGMM-UHFFFAOYSA-N 0 3 279.387 3.256 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2cccs2)cc1C#N ZINC000087822641 524084180 /nfs/dbraw/zinc/08/41/80/524084180.db2.gz BJPYKIPMZFOQRY-NSHDSACASA-N 0 3 272.373 3.479 20 30 CGEDHN N#Cc1c(CN2CC[C@H]3CCC[C@@H]32)cn2ccccc12 ZINC000426486226 534761106 /nfs/dbraw/zinc/76/11/06/534761106.db2.gz LAEHHMIUYZLBND-CJNGLKHVSA-N 0 3 265.360 3.185 20 30 CGEDHN N#Cc1cccc(CCNCc2ccnn2C2CCCC2)c1 ZINC000449301822 534804521 /nfs/dbraw/zinc/80/45/21/534804521.db2.gz IHUFLODUQOPHRX-UHFFFAOYSA-N 0 3 294.402 3.202 20 30 CGEDHN Cc1cnc([C@@H](C)CNCc2ccc(C#N)s2)s1 ZINC000184346954 526109341 /nfs/dbraw/zinc/10/93/41/526109341.db2.gz RFBUQGVYXOIZGG-VIFPVBQESA-N 0 3 277.418 3.278 20 30 CGEDHN C=C(C)CN(CCC(C)C)Cc1ccc(CO)o1 ZINC000352789269 526551221 /nfs/dbraw/zinc/55/12/21/526551221.db2.gz BMGOREBHEIRMES-UHFFFAOYSA-N 0 3 251.370 3.196 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278963502 526617443 /nfs/dbraw/zinc/61/74/43/526617443.db2.gz ZTBJGMONAAYVOG-CYBMUJFWSA-N 0 3 268.282 3.333 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC(C)C)c1cccs1 ZINC000347655940 526634982 /nfs/dbraw/zinc/63/49/82/526634982.db2.gz SVLKIWISEURXRT-STQMWFEESA-N 0 3 280.437 3.116 20 30 CGEDHN C=CCCCN(C)Cc1cnc2ccc(Cl)cn12 ZINC000353707508 527192057 /nfs/dbraw/zinc/19/20/57/527192057.db2.gz DWVWCXLPNJKYGB-UHFFFAOYSA-N 0 3 263.772 3.386 20 30 CGEDHN C=CCCCN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000344595125 527195689 /nfs/dbraw/zinc/19/56/89/527195689.db2.gz YGVSSIXOVCQRLT-MRXNPFEDSA-N 0 3 272.392 3.080 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCN(C2CC2)C1)c1ccco1 ZINC000353514359 527450920 /nfs/dbraw/zinc/45/09/20/527450920.db2.gz GGFNPDVPHMQZAX-UKRRQHHQSA-N 0 3 260.381 3.113 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000353579837 527594287 /nfs/dbraw/zinc/59/42/87/527594287.db2.gz VODVOKSVJOMAIS-JOYOIKCWSA-N 0 3 294.445 3.378 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211692 572401907 /nfs/dbraw/zinc/40/19/07/572401907.db2.gz VORQHIOAKNVBAO-UHFFFAOYSA-N 0 3 291.354 3.093 20 30 CGEDHN C=C(Cl)CN(CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000741054731 572480211 /nfs/dbraw/zinc/48/02/11/572480211.db2.gz UJFQCEZRBWWKPU-YNEHKIRRSA-N 0 3 257.805 3.264 20 30 CGEDHN C#CCN(CCOCC1CC1)[C@@H]1CCc2ccccc21 ZINC000741776702 572525737 /nfs/dbraw/zinc/52/57/37/572525737.db2.gz ONYZKUYINSLHGG-GOSISDBHSA-N 0 3 269.388 3.036 20 30 CGEDHN COc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1C#N ZINC000742370085 572568114 /nfs/dbraw/zinc/56/81/14/572568114.db2.gz FPXKHCRDGKRJHI-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H](C)C3CC3)nc21 ZINC000735788838 572740419 /nfs/dbraw/zinc/74/04/19/572740419.db2.gz HYSTYAJWAWNJDG-AAEUAGOBSA-N 0 3 281.359 3.484 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@H](C)C3CC3)[nH]c21 ZINC000735788838 572740421 /nfs/dbraw/zinc/74/04/21/572740421.db2.gz HYSTYAJWAWNJDG-AAEUAGOBSA-N 0 3 281.359 3.484 20 30 CGEDHN C=C(Cl)COC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000735940662 572750837 /nfs/dbraw/zinc/75/08/37/572750837.db2.gz SUOQKTJXLNAXCN-OAHLLOKOSA-N 0 3 293.794 3.194 20 30 CGEDHN C#CCOc1ccc(CNc2cc(C)cc(C)n2)cc1 ZINC000746747716 572894235 /nfs/dbraw/zinc/89/42/35/572894235.db2.gz IXHQZAVZLJPWCJ-UHFFFAOYSA-N 0 3 266.344 3.323 20 30 CGEDHN CN(CCCOc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000748816023 572985505 /nfs/dbraw/zinc/98/55/05/572985505.db2.gz CCUGDEMAVONVHS-UHFFFAOYSA-N 0 3 296.370 3.165 20 30 CGEDHN CCOc1ccc(/C=N\[C@@H]2CCC[C@H]([NH+](C)C)C2)c([O-])c1 ZINC000749844610 573045392 /nfs/dbraw/zinc/04/53/92/573045392.db2.gz KZBIWVSMIDQMQI-HXPPYDANSA-N 0 3 290.407 3.083 20 30 CGEDHN CCCCCCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821055570 606695475 /nfs/dbraw/zinc/69/54/75/606695475.db2.gz DJBZBKHREBIVDB-UHFFFAOYSA-N 0 3 287.411 3.317 20 30 CGEDHN CCCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821055570 606695476 /nfs/dbraw/zinc/69/54/76/606695476.db2.gz DJBZBKHREBIVDB-UHFFFAOYSA-N 0 3 287.411 3.317 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C(C)C)C[C@@H]1C ZINC000947369466 613237995 /nfs/dbraw/zinc/23/79/95/613237995.db2.gz MNJDQFAUJFJCBN-JKSUJKDBSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000970938551 613298981 /nfs/dbraw/zinc/29/89/81/613298981.db2.gz RJLFPMQHMNOSDM-HUUCEWRRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565600 613323747 /nfs/dbraw/zinc/32/37/47/613323747.db2.gz HNJHSTOKDMLPSQ-VQHPVUNQSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993309 613325723 /nfs/dbraw/zinc/32/57/23/613325723.db2.gz IWXFVIJIVKIPOW-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974618153 613338194 /nfs/dbraw/zinc/33/81/94/613338194.db2.gz CVILOGYDJXVLKY-QAPCUYQASA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)CC)CC2)C1 ZINC000961300634 613374382 /nfs/dbraw/zinc/37/43/82/613374382.db2.gz SXRIURLYTBYVSM-HNNXBMFYSA-N 0 3 298.858 3.100 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000981350360 613491592 /nfs/dbraw/zinc/49/15/92/613491592.db2.gz LTKNBSBDMGVSDO-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709097 613517863 /nfs/dbraw/zinc/51/78/63/613517863.db2.gz HCXKBBNNZFLXDA-TZMCWYRMSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000940835814 613743386 /nfs/dbraw/zinc/74/33/86/613743386.db2.gz DMHGBCMNSGXZPS-JKSUJKDBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2occc2C(C)C)C[C@@H]1C ZINC000947652821 613800858 /nfs/dbraw/zinc/80/08/58/613800858.db2.gz FGJYCXSHEPWMJZ-KBPBESRZSA-N 0 3 290.407 3.172 20 30 CGEDHN CCCCCCCC[C@H](N)c1nc([C@H]2CCCN2)no1 ZINC000900009793 620745042 /nfs/dbraw/zinc/74/50/42/620745042.db2.gz KFVSMIYBPVKVQJ-QWHCGFSZSA-N 0 3 280.416 3.245 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001021102453 617896519 /nfs/dbraw/zinc/89/65/19/617896519.db2.gz LFNHTSUOJVYQQO-OPTZYUCBSA-N 0 3 298.858 3.048 20 30 CGEDHN C(=NN[C@@H]1CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000808000913 618051869 /nfs/dbraw/zinc/05/18/69/618051869.db2.gz WFMWWRALQAAVIH-OAHLLOKOSA-N 0 3 289.448 3.106 20 30 CGEDHN C#CCC1(NCc2ccc(C#N)cc2OC(F)F)CCC1 ZINC000933299342 618195792 /nfs/dbraw/zinc/19/57/92/618195792.db2.gz SNOFYRRPUFZYMX-UHFFFAOYSA-N 0 3 290.313 3.195 20 30 CGEDHN CN1CCCc2cc(CNCc3cc(C#N)cs3)ccc21 ZINC000177692930 618836206 /nfs/dbraw/zinc/83/62/06/618836206.db2.gz VXIONNCUCLWEEA-UHFFFAOYSA-N 0 3 297.427 3.292 20 30 CGEDHN C#C[C@H](N[C@H](CC)c1ccc(C)cc1)[C@H]1CCCO1 ZINC000775574275 619077855 /nfs/dbraw/zinc/07/78/55/619077855.db2.gz OVAYEYFESXFUDM-IXDOHACOSA-N 0 3 257.377 3.217 20 30 CGEDHN N#CCC1CCN(Cc2nccc3c2CCCC3)CC1 ZINC000893487555 619190673 /nfs/dbraw/zinc/19/06/73/619190673.db2.gz OEDBNCWVGPDYPP-UHFFFAOYSA-N 0 3 269.392 3.086 20 30 CGEDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C#N)c(F)c1 ZINC000840951687 619254714 /nfs/dbraw/zinc/25/47/14/619254714.db2.gz GKVGUEQKBUENNY-UHFFFAOYSA-N 0 3 297.377 3.362 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cs1 ZINC000895403968 619823525 /nfs/dbraw/zinc/82/35/25/619823525.db2.gz HWOPFFMBJMGNCR-GDBMZVCRSA-N 0 3 290.432 3.401 20 30 CGEDHN C=CC[C@H]1CCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC000895556427 619849788 /nfs/dbraw/zinc/84/97/88/619849788.db2.gz ASAWJFPAZRHTRV-JTQLQIEISA-N 0 3 253.777 3.024 20 30 CGEDHN C#CC1(NCc2nccc3ccccc32)CCCC1 ZINC000895675729 619867532 /nfs/dbraw/zinc/86/75/32/619867532.db2.gz VPAVLFDYJVAQOV-UHFFFAOYSA-N 0 3 250.345 3.270 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000895776839 619883946 /nfs/dbraw/zinc/88/39/46/619883946.db2.gz DHCXARKDAKJNRO-FZMZJTMJSA-N 0 3 280.799 3.291 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000895835784 619895492 /nfs/dbraw/zinc/89/54/92/619895492.db2.gz OZUALQOEPCGWSN-UHFFFAOYSA-N 0 3 263.356 3.037 20 30 CGEDHN COc1cc2c(cc1O)CCN(CC(C)(C)CCC#N)C2 ZINC000895889515 619901997 /nfs/dbraw/zinc/90/19/97/619901997.db2.gz WIKGGXGMUGXSSB-UHFFFAOYSA-N 0 3 288.391 3.089 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@](C)(CC)OC)c([O-])c1 ZINC000840708289 620093579 /nfs/dbraw/zinc/09/35/79/620093579.db2.gz WDNNDPLDNLWAFM-BOFQVRIASA-N 0 3 292.423 3.472 20 30 CGEDHN C#CCN(Cc1cc2cc(Cl)cnc2o1)C(C)C ZINC000897171097 620155076 /nfs/dbraw/zinc/15/50/76/620155076.db2.gz QCIHGSXPLWYITF-UHFFFAOYSA-N 0 3 262.740 3.325 20 30 CGEDHN COc1cc(CN[C@H](c2ccncc2)C2CC2)ccc1C#N ZINC000898319538 620505624 /nfs/dbraw/zinc/50/56/24/620505624.db2.gz HERMFSQWLJUWKD-SFHVURJKSA-N 0 3 293.370 3.203 20 30 CGEDHN CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1N(C)C ZINC000901305866 620852034 /nfs/dbraw/zinc/85/20/34/620852034.db2.gz GJSBLKAIIOOIRH-AGGWBTHJSA-N 0 3 289.423 3.022 20 30 CGEDHN Cc1ccc(OCCN[C@@H](C)c2cc(C#N)ccn2)c(C)c1 ZINC000902770379 621433429 /nfs/dbraw/zinc/43/34/29/621433429.db2.gz KRCDRJRZBIQPBO-HNNXBMFYSA-N 0 3 295.386 3.300 20 30 CGEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)Oc1ccc(F)cc1 ZINC000902821295 621455876 /nfs/dbraw/zinc/45/58/76/621455876.db2.gz HHNPMDAXEQUQDQ-STQMWFEESA-N 0 3 299.349 3.210 20 30 CGEDHN CC[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(C#N)c1 ZINC000902838623 621469797 /nfs/dbraw/zinc/46/97/97/621469797.db2.gz GWYCDPMHIILMON-IPMKNSEASA-N 0 3 292.382 3.257 20 30 CGEDHN CCC1(CC)[C@H](N[C@H](C)c2cc(C#N)ccn2)C[C@H]1OC ZINC000902880642 621481888 /nfs/dbraw/zinc/48/18/88/621481888.db2.gz KTELNLICWLWJKU-DAXOMENPSA-N 0 3 287.407 3.198 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902956335 621506048 /nfs/dbraw/zinc/50/60/48/621506048.db2.gz HPSYMVYINFITJT-APHBMKBZSA-N 0 3 287.407 3.196 20 30 CGEDHN C[C@@H](NC[C@H]1CCCC1(F)F)c1cc(C#N)ccn1 ZINC000903008233 621531126 /nfs/dbraw/zinc/53/11/26/621531126.db2.gz MIRYJBAABQYGQN-ZYHUDNBSSA-N 0 3 265.307 3.039 20 30 CGEDHN Cc1ccc(C[C@H](NCc2nc(C#N)cs2)C2CC2)cc1 ZINC000903262930 621648313 /nfs/dbraw/zinc/64/83/13/621648313.db2.gz JMVWTXZLQKLXCU-INIZCTEOSA-N 0 3 297.427 3.434 20 30 CGEDHN CC(C)CC[C@@H](NCc1nc(C#N)cs1)C1CC1 ZINC000903262746 621648396 /nfs/dbraw/zinc/64/83/96/621648396.db2.gz HOPBFAIYJNDQRT-CYBMUJFWSA-N 0 3 263.410 3.319 20 30 CGEDHN C[C@@H](N[C@@H]1CCOC12CCCC2)c1ccc(C#N)cc1F ZINC000903381689 621724300 /nfs/dbraw/zinc/72/43/00/621724300.db2.gz BRRXGSXXEAODFD-MLGOLLRUSA-N 0 3 288.366 3.450 20 30 CGEDHN CC(C)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905083151 622033362 /nfs/dbraw/zinc/03/33/62/622033362.db2.gz ZSAZWJSSHYBJAQ-KSSSLANASA-N 0 3 267.332 3.242 20 30 CGEDHN CCCCOc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905084704 622033825 /nfs/dbraw/zinc/03/38/25/622033825.db2.gz KRBCLVFTPFCRKA-GVIGZQTCSA-N 0 3 297.358 3.298 20 30 CGEDHN CC1/C(=C/c2ccc(C(F)(F)F)s2)C(=O)c2ncnn21 ZINC000905087861 622034658 /nfs/dbraw/zinc/03/46/58/622034658.db2.gz ZWFAPAUKKKWOQI-LBOWODLNSA-N 0 3 299.277 3.199 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(C)(C)C ZINC000911646128 622542275 /nfs/dbraw/zinc/54/22/75/622542275.db2.gz LKVSKPVZKBIDFP-GFCCVEGCSA-N 0 3 280.799 3.393 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000912392495 622645205 /nfs/dbraw/zinc/64/52/05/622645205.db2.gz ASUUYOJDPPBEIH-INIZCTEOSA-N 0 3 292.398 3.246 20 30 CGEDHN Cc1cccc([C@@H]2CCN(Cc3cccc(C#N)n3)C2)c1 ZINC000602608549 623075320 /nfs/dbraw/zinc/07/53/20/623075320.db2.gz NQICCNDXQIEUGD-MRXNPFEDSA-N 0 3 277.371 3.251 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(Br)c(C)c1 ZINC000229888222 623172928 /nfs/dbraw/zinc/17/29/28/623172928.db2.gz AZHVTEUUQOWFHV-LBPRGKRZSA-N 0 3 266.182 3.259 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@H]12 ZINC000992474306 623584595 /nfs/dbraw/zinc/58/45/95/623584595.db2.gz ZYUKZNOHYMVYKL-PKOBYXMFSA-N 0 3 298.430 3.216 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992988636 623773123 /nfs/dbraw/zinc/77/31/23/623773123.db2.gz DNTGPXAPIFLXST-WBVHZDCISA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992989887 623775193 /nfs/dbraw/zinc/77/51/93/623775193.db2.gz UQPOXSWARRJBJI-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN CCCNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000915965784 624093981 /nfs/dbraw/zinc/09/39/81/624093981.db2.gz ZYRSOLOTDFMOKR-ODPMDTCJSA-N 0 3 257.381 3.283 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994274043 624196896 /nfs/dbraw/zinc/19/68/96/624196896.db2.gz GUNOVKHGBHWEFO-WBVHZDCISA-N 0 3 286.419 3.154 20 30 CGEDHN C#CCCCN(C)Cc1cc(Br)ccc1F ZINC000766894848 624378934 /nfs/dbraw/zinc/37/89/34/624378934.db2.gz HCTXRVDYVJEEHM-UHFFFAOYSA-N 0 3 284.172 3.433 20 30 CGEDHN COc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921472691 624597201 /nfs/dbraw/zinc/59/72/01/624597201.db2.gz OJFSICSXYKOTRM-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2c(c1)OCO2 ZINC000921474489 624598598 /nfs/dbraw/zinc/59/85/98/624598598.db2.gz ZSJWXGBONWCPEX-UHFFFAOYSA-N 0 3 294.354 3.194 20 30 CGEDHN CC(C)(C)SCCNCc1csc(C#N)c1 ZINC000921685035 625831437 /nfs/dbraw/zinc/83/14/37/625831437.db2.gz RQYOYDQPKDTIFW-UHFFFAOYSA-N 0 3 254.424 3.241 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001000880817 625883308 /nfs/dbraw/zinc/88/33/08/625883308.db2.gz XCKIHPYIHZGLDE-IAGOWNOFSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001001325965 625895700 /nfs/dbraw/zinc/89/57/00/625895700.db2.gz LJPIGUJWGHHXKP-DLBZAZTESA-N 0 3 290.451 3.137 20 30 CGEDHN N#Cc1cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cs1 ZINC000921961889 625946840 /nfs/dbraw/zinc/94/68/40/625946840.db2.gz XGSUFMZICYBAKO-NVXWUHKLSA-N 0 3 298.411 3.487 20 30 CGEDHN CO[C@@](C)(CNCc1csc(C#N)c1)c1ccccc1 ZINC000922158703 625974451 /nfs/dbraw/zinc/97/44/51/625974451.db2.gz MEJWDBUYCZOXGG-INIZCTEOSA-N 0 3 286.400 3.271 20 30 CGEDHN C=CCCCCCNCc1c(Cl)c(C)nn1C ZINC000922227016 625986389 /nfs/dbraw/zinc/98/63/89/625986389.db2.gz SKKGBCDEMYVICL-UHFFFAOYSA-N 0 3 255.793 3.218 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccc3occc3c2)CC1 ZINC001005428833 626090056 /nfs/dbraw/zinc/09/00/56/626090056.db2.gz ISXVNCPBQSBXDB-UHFFFAOYSA-N 0 3 298.386 3.155 20 30 CGEDHN C#C[C@@H](NCc1c(C)nc2scc(C3CC3)n12)C(C)C ZINC000839087803 626312612 /nfs/dbraw/zinc/31/26/12/626312612.db2.gz ANPQRUBFNBFAMH-CYBMUJFWSA-N 0 3 287.432 3.329 20 30 CGEDHN Cc1ccc(C)c(N=NC2C[C@@H](C)N(C3CC3)C2)c1 ZINC000753956989 626470154 /nfs/dbraw/zinc/47/01/54/626470154.db2.gz ZEBQXUOYVHEWRF-CYBMUJFWSA-N 0 3 257.381 3.328 20 30 CGEDHN Cc1cc(C)cc(N=NC2C[C@H](C)N(C3CC3)C2)c1 ZINC000753955650 626470185 /nfs/dbraw/zinc/47/01/85/626470185.db2.gz PGSCIPJCJNDCMX-ZDUSSCGKSA-N 0 3 257.381 3.328 20 30 CGEDHN C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756708717 626727263 /nfs/dbraw/zinc/72/72/63/626727263.db2.gz HMUWZBGVZYKAIW-ZDUSSCGKSA-N 0 3 299.345 3.394 20 30 CGEDHN C[C@H](NCc1cc(C#N)ccc1F)c1cc(F)ccc1O ZINC000756733220 626728613 /nfs/dbraw/zinc/72/86/13/626728613.db2.gz PRBKJRGICCYEEA-JTQLQIEISA-N 0 3 288.297 3.393 20 30 CGEDHN C#CC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000756996814 626745690 /nfs/dbraw/zinc/74/56/90/626745690.db2.gz RWYXIPAJOUVLSH-MRXNPFEDSA-N 0 3 251.329 3.246 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000809685673 626767806 /nfs/dbraw/zinc/76/78/06/626767806.db2.gz JXTQUXKWPPYTJT-HNNXBMFYSA-N 0 3 273.376 3.152 20 30 CGEDHN C[C@H]1CC(N=Nc2ccccc2C(F)(F)F)CN1C ZINC000761795375 627060738 /nfs/dbraw/zinc/06/07/38/627060738.db2.gz ZLBCVPGAHSLAAO-VIFPVBQESA-N 0 3 271.286 3.197 20 30 CGEDHN C=CC[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccncc1 ZINC000766019349 627287452 /nfs/dbraw/zinc/28/74/52/627287452.db2.gz MAHBZIAXCJSQAX-CVEARBPZSA-N 0 3 282.391 3.100 20 30 CGEDHN C#CCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767876634 627440982 /nfs/dbraw/zinc/44/09/82/627440982.db2.gz LHJBIKGEHHMQIE-GFCCVEGCSA-N 0 3 253.267 3.128 20 30 CGEDHN C#CCN(CC)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000769107173 627523360 /nfs/dbraw/zinc/52/33/60/627523360.db2.gz UNRGETBGIRNFTO-UHFFFAOYSA-N 0 3 267.319 3.360 20 30 CGEDHN C#CCN(Cc1cnn2ccccc12)C1CCCCC1 ZINC000769146430 627525928 /nfs/dbraw/zinc/52/59/28/627525928.db2.gz YLLIMZWSMYNTPI-UHFFFAOYSA-N 0 3 267.376 3.102 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(Cl)c2cccnc12 ZINC000769975682 627593733 /nfs/dbraw/zinc/59/37/33/627593733.db2.gz HBGNWYDBNMYRBD-LLVKDONJSA-N 0 3 258.752 3.342 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(Br)cc1C ZINC000769978097 627594483 /nfs/dbraw/zinc/59/44/83/627594483.db2.gz PYFXZJMUCTWAGC-NSHDSACASA-N 0 3 266.182 3.211 20 30 CGEDHN N#CC(C(=O)CCCC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000771258899 627694067 /nfs/dbraw/zinc/69/40/67/627694067.db2.gz KHSOOOYGWPMNEX-SECBINFHSA-N 0 3 295.264 3.472 20 30 CGEDHN C=CCC[C@@H](NCc1ccnn1C)c1ccccc1 ZINC000772855802 627828996 /nfs/dbraw/zinc/82/89/96/627828996.db2.gz BCOMBAALMXQPDS-MRXNPFEDSA-N 0 3 255.365 3.217 20 30 CGEDHN COCC#CCN[C@H](C)c1ccccc1C(F)(F)F ZINC000775461027 628097577 /nfs/dbraw/zinc/09/75/77/628097577.db2.gz YTCPNMAGHJUIFT-LLVKDONJSA-N 0 3 271.282 3.006 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1ccccc1 ZINC000874833364 634630003 /nfs/dbraw/zinc/63/00/03/634630003.db2.gz KTEJJAVXANCWAM-BZSNNMDCSA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCN1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826816 628983169 /nfs/dbraw/zinc/98/31/69/628983169.db2.gz KNYIUQCTLYGIFL-OAHLLOKOSA-N 0 3 280.412 3.086 20 30 CGEDHN C#C[C@@H](C)N(C)CCc1cccc(Cl)c1Cl ZINC000789309555 629122806 /nfs/dbraw/zinc/12/28/06/629122806.db2.gz UNCIGELIGCXZAL-SNVBAGLBSA-N 0 3 256.176 3.489 20 30 CGEDHN CC(C)N(C)c1ccc(CNCc2ccc(C#N)cc2)cn1 ZINC000790948833 629242172 /nfs/dbraw/zinc/24/21/72/629242172.db2.gz ISEZKLQUZJTSMK-UHFFFAOYSA-N 0 3 294.402 3.088 20 30 CGEDHN C#CCN(C)[C@@H]1CCCc2ccc(Br)cc21 ZINC000792302143 629354882 /nfs/dbraw/zinc/35/48/82/629354882.db2.gz NQKLGIKTQQCLPW-CQSZACIVSA-N 0 3 278.193 3.392 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2c(Cl)n(C)nc2CC)C1 ZINC000862441151 629373243 /nfs/dbraw/zinc/37/32/43/629373243.db2.gz OZPWZICSBWZVBW-LLVKDONJSA-N 0 3 267.804 3.034 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000862444926 629378511 /nfs/dbraw/zinc/37/85/11/629378511.db2.gz IZSAGYYPOMQSNF-LLVKDONJSA-N 0 3 251.732 3.324 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cnc(C3CCC3)s2)C1 ZINC000862445570 629379398 /nfs/dbraw/zinc/37/93/98/629379398.db2.gz XFCBYEJDVVNOCG-GFCCVEGCSA-N 0 3 260.406 3.256 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000862445706 629379656 /nfs/dbraw/zinc/37/96/56/629379656.db2.gz ZZLUQYINWVOPFU-LLVKDONJSA-N 0 3 251.732 3.324 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cccc(OC3CC3)c2F)C1 ZINC000862446749 629379862 /nfs/dbraw/zinc/37/98/62/629379862.db2.gz CXJOJSJENSAIKS-CYBMUJFWSA-N 0 3 273.351 3.212 20 30 CGEDHN C=CC[C@H](NCc1cnccc1C)c1ccncc1 ZINC000792987699 629400480 /nfs/dbraw/zinc/40/04/80/629400480.db2.gz SJOPYDMHZUDLMK-INIZCTEOSA-N 0 3 253.349 3.192 20 30 CGEDHN CC[C@@H](C)CON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000793159638 629418739 /nfs/dbraw/zinc/41/87/39/629418739.db2.gz PXABOOZLDMLWSX-CQSZACIVSA-N 0 3 290.407 3.310 20 30 CGEDHN FC(F)(F)Oc1ccc(N=NC2CN3C[C@@H]2CCC3)cc1 ZINC000863077414 629468984 /nfs/dbraw/zinc/46/89/84/629468984.db2.gz PSLQUJIUZZPYFG-JTQLQIEISA-N 0 3 299.296 3.079 20 30 CGEDHN CCC(=NOCCSC)c1ccc(N(C)C)cc1 ZINC000794575183 629558404 /nfs/dbraw/zinc/55/84/04/629558404.db2.gz YRIIHYTYOMNAMH-UHFFFAOYSA-N 0 3 266.410 3.246 20 30 CGEDHN CCCCCCCN1CCCC[C@H]1CCS(C)(=O)=O ZINC000794755773 629576116 /nfs/dbraw/zinc/57/61/16/629576116.db2.gz ZLTGWTLPPUZJMM-HNNXBMFYSA-N 0 3 289.485 3.246 20 30 CGEDHN CCCCCCCCN1CCO[C@]2(CCCOC2)C1 ZINC000796077548 629743621 /nfs/dbraw/zinc/74/36/21/629743621.db2.gz QINBZIZCBIZKHZ-MRXNPFEDSA-N 0 3 269.429 3.228 20 30 CGEDHN CC#CCN(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796355273 629770837 /nfs/dbraw/zinc/77/08/37/629770837.db2.gz CXHWVKXGUASXMA-IBGZPJMESA-N 0 3 279.383 3.246 20 30 CGEDHN Cc1cccc(CNCc2cc(C#N)ccc2N(C)C)c1 ZINC000865407431 630107550 /nfs/dbraw/zinc/10/75/50/630107550.db2.gz VUNZDFGPGFAPOK-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN O=C1C=C(NNc2cccc3ccccc32)C2CCCCN12 ZINC000799479083 630187923 /nfs/dbraw/zinc/18/79/23/630187923.db2.gz IUUWAAJFMIEZER-KRWDZBQOSA-N 0 3 293.370 3.393 20 30 CGEDHN CCc1oc2ccccc2c1CN(C)CCO[C@@H](C)C#N ZINC000801910721 630363983 /nfs/dbraw/zinc/36/39/83/630363983.db2.gz WEIGJBGFWMBBKC-ZDUSSCGKSA-N 0 3 286.375 3.356 20 30 CGEDHN COc1ccccc1[C@H]1CCCCN1CCO[C@@H](C)C#N ZINC000801919018 630366882 /nfs/dbraw/zinc/36/68/82/630366882.db2.gz FWZUHYWUXLGEAO-GOEBONIOSA-N 0 3 288.391 3.151 20 30 CGEDHN C[C@H](C#N)OCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000801938555 630371095 /nfs/dbraw/zinc/37/10/95/630371095.db2.gz GRVJCGZCCWUPGB-GFCCVEGCSA-N 0 3 294.345 3.252 20 30 CGEDHN Cc1c2ccccc2oc1[C@H](C)NCCO[C@@H](C)C#N ZINC000801941105 630371870 /nfs/dbraw/zinc/37/18/70/630371870.db2.gz ILMWDOWOZIZGAH-AAEUAGOBSA-N 0 3 272.348 3.321 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C(C1CC1)C1CC1 ZINC000125907498 634824048 /nfs/dbraw/zinc/82/40/48/634824048.db2.gz GFPAPOQVAKJFHL-CYBMUJFWSA-N 0 3 293.370 3.186 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)cc2)c(C)c1OC ZINC000808379972 630639949 /nfs/dbraw/zinc/63/99/49/630639949.db2.gz ZPWPNMHHPSYYMX-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C#C[C@@H](C)NCc1cc(C)c(OC(F)F)c(C)c1 ZINC000809683180 630779574 /nfs/dbraw/zinc/77/95/74/630779574.db2.gz SYXAEWNEIYFNKU-LLVKDONJSA-N 0 3 253.292 3.016 20 30 CGEDHN C#C[C@H](C)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000809683721 630780005 /nfs/dbraw/zinc/78/00/05/630780005.db2.gz LVHDOJKXTFNKKX-AWEZNQCLSA-N 0 3 266.344 3.294 20 30 CGEDHN C#C[C@@H](NCc1c(C)nn(-c2ccc(F)cc2)c1C)C(C)C ZINC000809685309 630780416 /nfs/dbraw/zinc/78/04/16/630780416.db2.gz MOGJIYZQMJJHGR-GOSISDBHSA-N 0 3 299.393 3.376 20 30 CGEDHN C#C[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000809685919 630782168 /nfs/dbraw/zinc/78/21/68/630782168.db2.gz ZMFWFRGPRZUUTR-ZDUSSCGKSA-N 0 3 296.208 3.211 20 30 CGEDHN CCN(Cc1ccncc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809726433 630793895 /nfs/dbraw/zinc/79/38/95/630793895.db2.gz JVQDDFNEXUIOJX-OAHLLOKOSA-N 0 3 295.386 3.395 20 30 CGEDHN C#C[C@H](NCc1cnc(C)n1-c1ccccc1)C(C)(C)C ZINC000809782275 630807580 /nfs/dbraw/zinc/80/75/80/630807580.db2.gz MZRZZPUWZZLHEO-KRWDZBQOSA-N 0 3 281.403 3.318 20 30 CGEDHN C[C@H](CCc1cccc(F)c1)NCc1nc(C#N)cs1 ZINC000810146602 630847210 /nfs/dbraw/zinc/84/72/10/630847210.db2.gz UBTIZMYOJGMATP-LLVKDONJSA-N 0 3 289.379 3.265 20 30 CGEDHN CCC(=NNCc1ccccc1)c1cccc(N)c1 ZINC000814750923 631633387 /nfs/dbraw/zinc/63/33/87/631633387.db2.gz AOCGYVDCOULGMP-UHFFFAOYSA-N 0 3 253.349 3.173 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)(F)F ZINC000816045781 631866831 /nfs/dbraw/zinc/86/68/31/631866831.db2.gz XBWOCMWHFUSZEJ-ZJUUUORDSA-N 0 3 289.285 3.097 20 30 CGEDHN C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1C ZINC000816649246 632037310 /nfs/dbraw/zinc/03/73/10/632037310.db2.gz WHCSEAZSBDMZSC-GJZGRUSLSA-N 0 3 294.402 3.304 20 30 CGEDHN CCCCC[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)C ZINC000818123327 632289276 /nfs/dbraw/zinc/28/92/76/632289276.db2.gz RCEAEVQDEDDHII-KBPBESRZSA-N 0 3 281.444 3.119 20 30 CGEDHN Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)c([O-])c1 ZINC000866616754 633216500 /nfs/dbraw/zinc/21/65/00/633216500.db2.gz AWUYHDVVIKZNOE-SUMWQHHRSA-N 0 3 292.382 3.390 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000876608508 634867094 /nfs/dbraw/zinc/86/70/94/634867094.db2.gz BKBWPLLOHAGGHR-SMDDNHRTSA-N 0 3 296.798 3.272 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000876584925 634862744 /nfs/dbraw/zinc/86/27/44/634862744.db2.gz SVWSFRDOILPAAY-CQSZACIVSA-N 0 3 296.798 3.130 20 30 CGEDHN C#CCOc1ccc(Br)cc1CNCC(=C)C ZINC000122575576 633442652 /nfs/dbraw/zinc/44/26/52/633442652.db2.gz ZCTKWJYKFODHRH-UHFFFAOYSA-N 0 3 294.192 3.127 20 30 CGEDHN CCOC(C)(C)C(=O)C(C#N)c1nccc2ccccc21 ZINC000870314832 633558540 /nfs/dbraw/zinc/55/85/40/633558540.db2.gz UIXQIYVGERLURT-CQSZACIVSA-N 0 3 282.343 3.226 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cncn2Cc2ccccc2)C1 ZINC000829809987 633792976 /nfs/dbraw/zinc/79/29/76/633792976.db2.gz JVKLNVOTWZJAJY-KRWDZBQOSA-N 0 3 293.414 3.167 20 30 CGEDHN C#CCCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000829871832 633805391 /nfs/dbraw/zinc/80/53/91/633805391.db2.gz CBFHCJKDMLRMFF-AWEZNQCLSA-N 0 3 273.767 3.377 20 30 CGEDHN C=CCN1CCC(Nc2cc(-c3ccccc3)ncn2)CC1 ZINC000872446707 634147001 /nfs/dbraw/zinc/14/70/01/634147001.db2.gz NYXRNXKNTHHKML-UHFFFAOYSA-N 0 3 294.402 3.206 20 30 CGEDHN CCCCCCCCCCn1cc([C@H](C)N)nn1 ZINC000124381322 634242880 /nfs/dbraw/zinc/24/28/80/634242880.db2.gz LNINLUNJFXQNRN-ZDUSSCGKSA-N 0 3 252.406 3.439 20 30 CGEDHN C[C@]1(CCNCc2cccc(F)c2C#N)C[C@]1(F)Cl ZINC000873134828 634254996 /nfs/dbraw/zinc/25/49/96/634254996.db2.gz VAZBDDMCEITUAP-UONOGXRCSA-N 0 3 284.737 3.492 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2occc2Br)CC1 ZINC000873198636 634283837 /nfs/dbraw/zinc/28/38/37/634283837.db2.gz SPLXGLSRWUJFNR-XYPYZODXSA-N 0 3 282.181 3.324 20 30 CGEDHN CN(C)c1ccc(/C=C/C=NO[C@@H]2CCCCO2)cc1 ZINC000834966826 634296786 /nfs/dbraw/zinc/29/67/86/634296786.db2.gz OONIZQNYBRTLMV-YFQQSQCTSA-N 0 3 274.364 3.295 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000876657467 634876820 /nfs/dbraw/zinc/87/68/20/634876820.db2.gz OKYZIIXKUWVEBW-LSDHHAIUSA-N 0 3 294.826 3.312 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)cc1NC(C)C ZINC000876747699 634891272 /nfs/dbraw/zinc/89/12/72/634891272.db2.gz KHPZLUSUUBRCMF-NSHDSACASA-N 0 3 299.777 3.054 20 30 CGEDHN CCCCCCNCc1cc(C#N)cnc1Cl ZINC000876886958 634920965 /nfs/dbraw/zinc/92/09/65/634920965.db2.gz FXQZXRYTSSNFCF-UHFFFAOYSA-N 0 3 251.761 3.277 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000876886427 634921087 /nfs/dbraw/zinc/92/10/87/634921087.db2.gz VPJAZGWYDSZDJB-FZMZJTMJSA-N 0 3 292.810 3.387 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H](C)CC(C)(C)C ZINC000876907964 634926083 /nfs/dbraw/zinc/92/60/83/634926083.db2.gz FUJNYWWUIPPRRM-JQWIXIFHSA-N 0 3 274.836 3.035 20 30 CGEDHN C[C@@H](Cc1cccs1)NCc1cc(C#N)cnc1Cl ZINC000876916706 634928670 /nfs/dbraw/zinc/92/86/70/634928670.db2.gz YLZWOQAQSKRMLV-JTQLQIEISA-N 0 3 291.807 3.389 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000876976000 634942084 /nfs/dbraw/zinc/94/20/84/634942084.db2.gz KWNLRSHHOZCENE-CABCVRRESA-N 0 3 298.858 3.275 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CC[C@@H](C)O2)c([O-])c1 ZINC000840710032 635038718 /nfs/dbraw/zinc/03/87/18/635038718.db2.gz NSLLMQFJDNHVFP-PHRVDBPJSA-N 0 3 290.407 3.225 20 30 CGEDHN CCCC[N@H+](Cc1cccc(C#N)n1)Cc1ccccc1[O-] ZINC000877503688 635064513 /nfs/dbraw/zinc/06/45/13/635064513.db2.gz UEKHWRGUZRUWRU-UHFFFAOYSA-N 0 3 295.386 3.461 20 30 CGEDHN CCCC[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1[O-] ZINC000877503688 635064516 /nfs/dbraw/zinc/06/45/16/635064516.db2.gz UEKHWRGUZRUWRU-UHFFFAOYSA-N 0 3 295.386 3.461 20 30 CGEDHN C=CCCCCCNCc1cc(C#N)cnc1Cl ZINC000877618375 635115650 /nfs/dbraw/zinc/11/56/50/635115650.db2.gz RCLNAOWPHNNAJI-UHFFFAOYSA-N 0 3 263.772 3.443 20 30 CGEDHN CC[C@H](C)CCNCc1cc(C#N)cnc1Cl ZINC000877624082 635117714 /nfs/dbraw/zinc/11/77/14/635117714.db2.gz JAMFJQXVLSAHRF-JTQLQIEISA-N 0 3 251.761 3.132 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000877651112 635133290 /nfs/dbraw/zinc/13/32/90/635133290.db2.gz RWAUAXDEYBYFNG-LBPRGKRZSA-N 0 3 293.794 3.202 20 30 CGEDHN COc1ccccc1CN(C)CCc1cccc(C#N)c1 ZINC000877703919 635155078 /nfs/dbraw/zinc/15/50/78/635155078.db2.gz GMRXCZNRKSOTPX-UHFFFAOYSA-N 0 3 280.371 3.241 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(C(C)(C)O)CC1 ZINC000877754371 635183302 /nfs/dbraw/zinc/18/33/02/635183302.db2.gz CMKLYFGOQIHROF-UHFFFAOYSA-N 0 3 289.419 3.234 20 30 CGEDHN C[C@H](CCC#N)CNCc1noc2c1CC(C)(C)CC2 ZINC000877809355 635211723 /nfs/dbraw/zinc/21/17/23/635211723.db2.gz BCJUMOPQQCOORR-GFCCVEGCSA-N 0 3 275.396 3.219 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000877923176 635272598 /nfs/dbraw/zinc/27/25/98/635272598.db2.gz KQAOIHKRLGUMQQ-HNNXBMFYSA-N 0 3 274.408 3.008 20 30 CGEDHN C=CC[C@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000877939344 635280361 /nfs/dbraw/zinc/28/03/61/635280361.db2.gz VWKADWQZKLWUEK-LBPRGKRZSA-N 0 3 261.365 3.027 20 30 CGEDHN COc1ccc(CNCc2ccc(CC#N)cc2)cc1C ZINC000842720488 635449040 /nfs/dbraw/zinc/44/90/40/635449040.db2.gz WODOSSWSTCJDML-UHFFFAOYSA-N 0 3 280.371 3.360 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000843422268 635666510 /nfs/dbraw/zinc/66/65/10/635666510.db2.gz DCEKCUSMZRCKDM-OAHLLOKOSA-N 0 3 297.377 3.247 20 30 CGEDHN C#CC1CCN(Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000843427285 635671590 /nfs/dbraw/zinc/67/15/90/635671590.db2.gz YBBRLOMZCUDLCD-UHFFFAOYSA-N 0 3 285.387 3.083 20 30 CGEDHN C#CC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000843427178 635671787 /nfs/dbraw/zinc/67/17/87/635671787.db2.gz UHMAKEAWKCRRKP-UHFFFAOYSA-N 0 3 263.768 3.199 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@H]1CC3(CCC3)CO1)C2 ZINC000879065134 635693740 /nfs/dbraw/zinc/69/37/40/635693740.db2.gz TUOIHPIIEDOJGL-QGZVFWFLSA-N 0 3 296.414 3.070 20 30 CGEDHN CN(CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[C@H]1C#N ZINC000879308876 635750721 /nfs/dbraw/zinc/75/07/21/635750721.db2.gz JKIKAVRHAYAKFP-HBNTYKKESA-N 0 3 261.196 3.194 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC(C)C ZINC000127936064 635835261 /nfs/dbraw/zinc/83/52/61/635835261.db2.gz VSKADMDIFWIEDW-UHFFFAOYSA-N 0 3 251.757 3.098 20 30 CGEDHN N#CC(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nc2ccccc2[nH]1 ZINC000845437246 636035927 /nfs/dbraw/zinc/03/59/27/636035927.db2.gz UJUMWRCGTRJODW-XJFOESAGSA-N 0 3 291.354 3.341 20 30 CGEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)oc1C ZINC000128723826 636067810 /nfs/dbraw/zinc/06/78/10/636067810.db2.gz ZMGSMFHHERRVCJ-CQSZACIVSA-N 0 3 296.326 3.166 20 30 CGEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000845966167 636125110 /nfs/dbraw/zinc/12/51/10/636125110.db2.gz GABRZJIQRLJJQS-OCCSQVGLSA-N 0 3 261.365 3.235 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(F)cc3cccnc32)C1 ZINC000847024819 636315398 /nfs/dbraw/zinc/31/53/98/636315398.db2.gz SYUNCBOMEMVQBB-ZDUSSCGKSA-N 0 3 268.335 3.219 20 30 CGEDHN C#CCCCCN[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000130753220 636506202 /nfs/dbraw/zinc/50/62/02/636506202.db2.gz ICSKJBDJUVGKLS-GOSISDBHSA-N 0 3 298.430 3.133 20 30 CGEDHN C=CCCC[C@H](N[C@@H](C)C(=O)NCC)c1ccccc1 ZINC000883167441 636563264 /nfs/dbraw/zinc/56/32/64/636563264.db2.gz YPDFDKOXISGIOZ-HOCLYGCPSA-N 0 3 274.408 3.198 20 30 CGEDHN O=[N+]([O-])c1ccccc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848399341 636566413 /nfs/dbraw/zinc/56/64/13/636566413.db2.gz OFKOPCJBPVJUHF-AWEZNQCLSA-N 0 3 288.351 3.011 20 30 CGEDHN c1ccc(CON=C2CCCN3CCCC[C@@H]23)cc1 ZINC000848404192 636567764 /nfs/dbraw/zinc/56/77/64/636567764.db2.gz GGQBTHYEMWROJM-INIZCTEOSA-N 0 3 258.365 3.208 20 30 CGEDHN Fc1ccc(CON=C2CCCN3CCCC[C@H]23)cc1 ZINC000848408059 636569350 /nfs/dbraw/zinc/56/93/50/636569350.db2.gz DZXQIQORQAXMNO-MRXNPFEDSA-N 0 3 276.355 3.347 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)N[C@H](C)c1nncn1C ZINC000883185172 636571212 /nfs/dbraw/zinc/57/12/12/636571212.db2.gz PWKZKDOFUYZGSH-ZBFHGGJFSA-N 0 3 284.407 3.043 20 30 CGEDHN C#C[C@@H]1CCCN(c2ccnc3ccc(C)cc32)C1 ZINC000848751008 636650959 /nfs/dbraw/zinc/65/09/59/636650959.db2.gz LHQWUZHVCGDXSQ-CQSZACIVSA-N 0 3 250.345 3.393 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OCC=C)c(OC)c2)C1 ZINC000848923728 636695727 /nfs/dbraw/zinc/69/57/27/636695727.db2.gz PJUDZNSDSLQSGM-HNNXBMFYSA-N 0 3 285.387 3.105 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](CC)c1ccc(F)cc1F ZINC000883389329 636731414 /nfs/dbraw/zinc/73/14/14/636731414.db2.gz OPOHHRZVXIFFGB-WFASDCNBSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000883392489 636736550 /nfs/dbraw/zinc/73/65/50/636736550.db2.gz IQJYFOCTJKQGHY-ZYHUDNBSSA-N 0 3 285.309 3.008 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000883392487 636736742 /nfs/dbraw/zinc/73/67/42/636736742.db2.gz IQJYFOCTJKQGHY-JQWIXIFHSA-N 0 3 285.309 3.008 20 30 CGEDHN C#CCN[C@@H](CC)c1cc(F)cc(Br)c1 ZINC000132681663 636830291 /nfs/dbraw/zinc/83/02/91/636830291.db2.gz FTYISBGBYRYLAR-LBPRGKRZSA-N 0 3 270.145 3.262 20 30 CGEDHN C=CCCSCC[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000850354609 637025341 /nfs/dbraw/zinc/02/53/41/637025341.db2.gz PSDRATPITKEDJP-UHFFFAOYSA-N 0 3 281.421 3.190 20 30 CGEDHN Cc1nc(F)ccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000850355096 637025377 /nfs/dbraw/zinc/02/53/77/637025377.db2.gz FXYPRNSZSJCGRA-UHFFFAOYSA-N 0 3 283.350 3.426 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1nc2ccccc2[nH]1 ZINC000850739691 637135875 /nfs/dbraw/zinc/13/58/75/637135875.db2.gz XKSXRTYDZRAFJQ-UMSGYPCISA-N 0 3 279.343 3.175 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000852101232 637596081 /nfs/dbraw/zinc/59/60/81/637596081.db2.gz OTMORTSDTBZFSL-SFHVURJKSA-N 0 3 283.371 3.301 20 30 CGEDHN C=CCN(C[C@]1(C)CC1(Cl)Cl)[C@H](C)COC ZINC000852356581 637641650 /nfs/dbraw/zinc/64/16/50/637641650.db2.gz IULZRHHJKZTXDW-MNOVXSKESA-N 0 3 266.212 3.093 20 30 CGEDHN C=CC[C@@H]1CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000852410465 637649044 /nfs/dbraw/zinc/64/90/44/637649044.db2.gz MKFWLURSWUDIKW-DOMZBBRYSA-N 0 3 281.346 3.286 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000886819624 637706556 /nfs/dbraw/zinc/70/65/56/637706556.db2.gz UVGQVSISIHEQAC-ZBFHGGJFSA-N 0 3 290.794 3.213 20 30 CGEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000852919388 637724173 /nfs/dbraw/zinc/72/41/73/637724173.db2.gz VPZNLGUNZSXIHB-RRFJBIMHSA-N 0 3 286.435 3.271 20 30 CGEDHN COc1cc2c(cc1O)CCN(CCCC(C)(C)C#N)C2 ZINC000887105333 637750501 /nfs/dbraw/zinc/75/05/01/637750501.db2.gz QPFRMZODPFIVQA-UHFFFAOYSA-N 0 3 288.391 3.089 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCOC23CCCCC3)c(F)c1 ZINC000924977449 638433871 /nfs/dbraw/zinc/43/38/71/638433871.db2.gz AGTALXZYZNZGSM-MRXNPFEDSA-N 0 3 288.366 3.279 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc2c1OCCCO2 ZINC000925571674 638533378 /nfs/dbraw/zinc/53/33/78/638533378.db2.gz FWQUBLHVWJHMGI-ZDUSSCGKSA-N 0 3 288.391 3.266 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000925699471 638572583 /nfs/dbraw/zinc/57/25/83/638572583.db2.gz WKFCFTOWDZCHIB-LPHOPBHVSA-N 0 3 296.414 3.254 20 30 CGEDHN CC(C)(C#N)CN[C@H](Cc1ccccc1)Cc1cccnc1 ZINC000926875484 638819934 /nfs/dbraw/zinc/81/99/34/638819934.db2.gz ZTVIGVBQBJPRDM-GOSISDBHSA-N 0 3 293.414 3.375 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1nccc2c1CCCC2 ZINC000926884479 638821032 /nfs/dbraw/zinc/82/10/32/638821032.db2.gz UFLRRTMGCOQCCN-CYBMUJFWSA-N 0 3 271.408 3.378 20 30 CGEDHN C=CCC[C@@H](NCCOC1CCOCC1)c1ccco1 ZINC000927078096 638838877 /nfs/dbraw/zinc/83/88/77/638838877.db2.gz DUQZIKOVSMCYKU-OAHLLOKOSA-N 0 3 279.380 3.072 20 30 CGEDHN CN(CCCCc1ccccc1)Cc1cncc(C#N)c1 ZINC000929288234 638915461 /nfs/dbraw/zinc/91/54/61/638915461.db2.gz GWDTUKATQNLQMD-UHFFFAOYSA-N 0 3 279.387 3.408 20 30 CGEDHN N#CC[C@@H](O)CN1CCC(c2cccc3ccccc32)CC1 ZINC000929414854 638924246 /nfs/dbraw/zinc/92/42/46/638924246.db2.gz IDPVUNDRIDBKFU-QGZVFWFLSA-N 0 3 294.398 3.294 20 30 CGEDHN C=CC1CCN(C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929617552 638934863 /nfs/dbraw/zinc/93/48/63/638934863.db2.gz ASLJAZOVSZYTAU-OLZOCXBDSA-N 0 3 277.330 3.384 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000929825437 638954782 /nfs/dbraw/zinc/95/47/82/638954782.db2.gz LQMKEFSCLRNOGZ-ZBFHGGJFSA-N 0 3 290.794 3.213 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000930071408 638972504 /nfs/dbraw/zinc/97/25/04/638972504.db2.gz GRMMBNKURNHTJQ-GJZGRUSLSA-N 0 3 290.794 3.070 20 30 CGEDHN CCOC(=O)/C=C/CN[C@H](CCCC#N)c1ccccc1 ZINC000930571936 639029503 /nfs/dbraw/zinc/02/95/03/639029503.db2.gz ZZXSLCKOGKTSKE-OQRGYWNNSA-N 0 3 286.375 3.130 20 30 CGEDHN C=CCC1(NCc2c(F)cncc2F)CCCC1 ZINC000931020674 639099879 /nfs/dbraw/zinc/09/98/79/639099879.db2.gz FRDSQRPJFAGKQW-UHFFFAOYSA-N 0 3 252.308 3.338 20 30 CGEDHN COC/C(C)=C\CN1CCC(Nc2ccccc2C#N)CC1 ZINC000931031931 639101472 /nfs/dbraw/zinc/10/14/72/639101472.db2.gz FYYOGCZFDGQGMV-CHHVJCJISA-N 0 3 299.418 3.027 20 30 CGEDHN Cc1ccc(CN[C@@H](CCO)c2cccs2)cc1C#N ZINC000859248004 639118855 /nfs/dbraw/zinc/11/88/55/639118855.db2.gz HSQXUPUKTKMJKJ-HNNXBMFYSA-N 0 3 286.400 3.142 20 30 CGEDHN N#CCC1(CN2CCC[C@H](Cc3nccs3)C2)CC1 ZINC000932198618 639294128 /nfs/dbraw/zinc/29/41/28/639294128.db2.gz UDQRSMPVAZBQCW-CYBMUJFWSA-N 0 3 275.421 3.091 20 30 CGEDHN C#CCC1(NCc2cnc(-c3ccccc3)o2)CCC1 ZINC000933295426 639435619 /nfs/dbraw/zinc/43/56/19/639435619.db2.gz WOYASUTVTASGLQ-UHFFFAOYSA-N 0 3 266.344 3.377 20 30 CGEDHN CCCCCCCC(=O)N(CC)C1CCN(C)CC1 ZINC000861893178 639625807 /nfs/dbraw/zinc/62/58/07/639625807.db2.gz HHAURAKGOMALGZ-UHFFFAOYSA-N 0 3 268.445 3.290 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1cnn(CC2CCC2)c1 ZINC000934560818 639631731 /nfs/dbraw/zinc/63/17/31/639631731.db2.gz BERZIRDFESTSAC-CYBMUJFWSA-N 0 3 274.412 3.274 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000935985937 639878190 /nfs/dbraw/zinc/87/81/90/639878190.db2.gz QXZDHRCZNRIDJD-XJKSGUPXSA-N 0 3 292.398 3.147 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001006458382 640318061 /nfs/dbraw/zinc/31/80/61/640318061.db2.gz LYFKGNUXBOWGCT-HNNXBMFYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001006461715 640336223 /nfs/dbraw/zinc/33/62/23/640336223.db2.gz HKKSVEGLEDIEJP-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(C#N)cc1 ZINC000192940984 640420040 /nfs/dbraw/zinc/42/00/40/640420040.db2.gz PVRDESDQMLFUTB-AWEZNQCLSA-N 0 3 291.354 3.311 20 30 CGEDHN N#CC(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1nc2ccccc2[nH]1 ZINC000246513853 640678956 /nfs/dbraw/zinc/67/89/56/640678956.db2.gz NYUJGXHCXOPWLN-OZTPJHRESA-N 0 3 279.343 3.175 20 30 CGEDHN Cc1ccc(NC(=[NH2+])NCc2ccc([O-])c(F)c2)cc1C ZINC000304739199 640867971 /nfs/dbraw/zinc/86/79/71/640867971.db2.gz BCVFODBHBBPLFX-UHFFFAOYSA-N 0 3 287.338 3.075 20 30 CGEDHN CCCCCCCCNC(=[NH2+])NCc1ccc([O-])c(F)c1 ZINC000304755347 640868648 /nfs/dbraw/zinc/86/86/48/640868648.db2.gz MPPKEJKZPLYIKX-UHFFFAOYSA-N 0 3 295.402 3.296 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000305072307 640877973 /nfs/dbraw/zinc/87/79/73/640877973.db2.gz PELMYGSQEIHYAC-IBGZPJMESA-N 0 3 292.382 3.280 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCCCC1 ZINC001017396416 641012355 /nfs/dbraw/zinc/01/23/55/641012355.db2.gz ZLPWGESCKSDPOE-CALCHBBNSA-N 0 3 288.435 3.128 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001017776916 641015851 /nfs/dbraw/zinc/01/58/51/641015851.db2.gz NUAJEAXIGORFHX-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001020246130 641043912 /nfs/dbraw/zinc/04/39/12/641043912.db2.gz LZRAUKIHDZWCCA-HDJSIYSDSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001020284858 641044194 /nfs/dbraw/zinc/04/41/94/641044194.db2.gz GPBQQVDGBWBSIH-KKUMJFAQSA-N 0 3 296.842 3.112 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)CCC=C(C)C ZINC001155401276 805577887 /nfs/dbraw/zinc/57/78/87/805577887.db2.gz XHEILLGEVQCTKX-IAGOWNOFSA-N 0 3 292.467 3.219 20 30 CGEDHN C=CCCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001155579890 805595983 /nfs/dbraw/zinc/59/59/83/805595983.db2.gz OFANUYATBHRGMR-UHFFFAOYSA-N 0 3 298.789 3.041 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)CCCCCC ZINC001155924262 805626671 /nfs/dbraw/zinc/62/66/71/805626671.db2.gz FMTBJDQTLPITOU-DLBZAZTESA-N 0 3 294.483 3.443 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(CC)(CC)CC ZINC001156031447 805643859 /nfs/dbraw/zinc/64/38/59/805643859.db2.gz VCWCSEJTDKCCJH-OAHLLOKOSA-N 0 3 280.456 3.053 20 30 CGEDHN CN1CCN(c2cccc(-c3ccc(F)c(C#N)c3)c2)CC1 ZINC001250636483 805741810 /nfs/dbraw/zinc/74/18/10/805741810.db2.gz ANGFVWRGJAOOPQ-UHFFFAOYSA-N 0 3 295.361 3.116 20 30 CGEDHN CCCCCCCC[C@H](O)CN1C[C@@H](C)[C@@H](F)C1 ZINC001252123585 806010777 /nfs/dbraw/zinc/01/07/77/806010777.db2.gz JOXVFSIOGOIIRZ-ILXRZTDVSA-N 0 3 259.409 3.388 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCN(CC(C)C)CC1 ZINC001252127156 806014024 /nfs/dbraw/zinc/01/40/24/806014024.db2.gz XSUWICDDMIYIPV-SFHVURJKSA-N 0 3 298.515 3.372 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CCC2CCCC2)CC1 ZINC001159137928 806049162 /nfs/dbraw/zinc/04/91/62/806049162.db2.gz XZONNPCMBVKSOL-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C=C[C@@](C)(O)CNCc1cc(F)c(Cl)cc1Cl ZINC001252541931 806059014 /nfs/dbraw/zinc/05/90/14/806059014.db2.gz WWVAGQCQAFIBED-GFCCVEGCSA-N 0 3 278.154 3.159 20 30 CGEDHN C=C[C@](C)(O)CNCc1cc(F)c(Cl)cc1Cl ZINC001252541932 806059108 /nfs/dbraw/zinc/05/91/08/806059108.db2.gz WWVAGQCQAFIBED-LBPRGKRZSA-N 0 3 278.154 3.159 20 30 CGEDHN C=C[C@@](C)(O)CNCc1cc(-c2cccc(Cl)c2)no1 ZINC001252581374 806074994 /nfs/dbraw/zinc/07/49/94/806074994.db2.gz GPTFEIXYJUVADF-OAHLLOKOSA-N 0 3 292.766 3.022 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC001252620257 806092237 /nfs/dbraw/zinc/09/22/37/806092237.db2.gz SJNPIBNBJHPXOO-MOPGFXCFSA-N 0 3 297.398 3.398 20 30 CGEDHN N#Cc1ccc([O-])c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001159630399 806135605 /nfs/dbraw/zinc/13/56/05/806135605.db2.gz UUZGESABMUDKLE-HNNXBMFYSA-N 0 3 279.343 3.432 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)COC[C@H](CC)CCCC ZINC001253006060 806152724 /nfs/dbraw/zinc/15/27/24/806152724.db2.gz IECQNALTNCIYCN-SJORKVTESA-N 0 3 283.456 3.254 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C(C)=C2CCCC2)CC1 ZINC001159819412 806179350 /nfs/dbraw/zinc/17/93/50/806179350.db2.gz BLCCZIHXJAPAPE-UHFFFAOYSA-N 0 3 288.435 3.201 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cc(F)ccn1 ZINC001253251497 806196545 /nfs/dbraw/zinc/19/65/45/806196545.db2.gz LREMKVHTRIEXOL-INIZCTEOSA-N 0 3 280.387 3.198 20 30 CGEDHN C=C[C@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC001253564730 806260051 /nfs/dbraw/zinc/26/00/51/806260051.db2.gz HUYSVCUGTQXFOM-SCZZXKLOSA-N 0 3 260.164 3.191 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C(C)(C)C2CCC2)CC1 ZINC001160793214 806304324 /nfs/dbraw/zinc/30/43/24/806304324.db2.gz UMFRSYLJKGZAAP-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001160932949 806322447 /nfs/dbraw/zinc/32/24/47/806322447.db2.gz NZZUXMROCQHHIA-DOTOQJQBSA-N 0 3 290.451 3.137 20 30 CGEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C#N)CC1 ZINC001254559491 806450088 /nfs/dbraw/zinc/45/00/88/806450088.db2.gz KBYNKSCNCZNKRF-ZIAGYGMSSA-N 0 3 287.363 3.151 20 30 CGEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC001255155711 806557303 /nfs/dbraw/zinc/55/73/03/806557303.db2.gz SVAZILZBLDKYDF-INIZCTEOSA-N 0 3 289.398 3.072 20 30 CGEDHN CC[C@@H](CC#N)NC(C)(C)Cc1ccc(OC)cc1 ZINC001255160627 806559847 /nfs/dbraw/zinc/55/98/47/806559847.db2.gz NCTBRSCWERNUQS-AWEZNQCLSA-N 0 3 260.381 3.298 20 30 CGEDHN CC[C@@H](CC#N)NC1(Cc2ccccc2F)CCOCC1 ZINC001255162553 806560924 /nfs/dbraw/zinc/56/09/24/806560924.db2.gz SKTNWBOUZMSHIV-HNNXBMFYSA-N 0 3 290.382 3.199 20 30 CGEDHN CC[C@H](CC#N)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001255164877 806562988 /nfs/dbraw/zinc/56/29/88/806562988.db2.gz PNAHWMQRKRGCHE-SOLBZPMBSA-N 0 3 285.435 3.273 20 30 CGEDHN N#CC1CCN(C2CCC(C(F)(F)F)CC2)CC1 ZINC001255515229 806658174 /nfs/dbraw/zinc/65/81/74/806658174.db2.gz FZUGTCMAYQTMEO-UHFFFAOYSA-N 0 3 260.303 3.343 20 30 CGEDHN Cc1ccc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)cn1 ZINC001162874578 806679006 /nfs/dbraw/zinc/67/90/06/806679006.db2.gz CEODJOOURPDEPM-CIAFOILYSA-N 0 3 293.374 3.095 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCCC1 ZINC000122635166 798991993 /nfs/dbraw/zinc/99/19/93/798991993.db2.gz OYBLYOPIUMYEMD-ZDUSSCGKSA-N 0 3 281.359 3.330 20 30 CGEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CC1 ZINC000176542554 799099797 /nfs/dbraw/zinc/09/97/97/799099797.db2.gz VPPLXGSCXVBTGC-GXSJLCMTSA-N 0 3 254.289 3.050 20 30 CGEDHN C=C(C)c1ccc(N[C@H]2CNCc3ccsc32)nc1 ZINC001163221550 806726745 /nfs/dbraw/zinc/72/67/45/806726745.db2.gz VSKSBNPVBNWEIB-ZDUSSCGKSA-N 0 3 271.389 3.433 20 30 CGEDHN CCCCCCC[C@@H](C)NCc1cn(CC)nn1 ZINC000404408254 799576187 /nfs/dbraw/zinc/57/61/87/799576187.db2.gz GBEGJNWGONTHGQ-CYBMUJFWSA-N 0 3 252.406 3.137 20 30 CGEDHN C=CCCCCCNCc1cn(C)nc1Br ZINC000720644421 800264274 /nfs/dbraw/zinc/26/42/74/800264274.db2.gz BIPYKHQKIVASRL-UHFFFAOYSA-N 0 3 286.217 3.019 20 30 CGEDHN CC(C)(C)C[C@H]1CCN(Cc2cncc(C#N)c2)C1 ZINC000721616445 800296586 /nfs/dbraw/zinc/29/65/86/800296586.db2.gz YRJSMVVNBAPISN-CYBMUJFWSA-N 0 3 257.381 3.211 20 30 CGEDHN C#Cc1ccc(CN2CCC(C(F)(F)F)CC2)cc1 ZINC000809544632 800443123 /nfs/dbraw/zinc/44/31/23/800443123.db2.gz PWATXPOCXOPQFY-UHFFFAOYSA-N 0 3 267.294 3.442 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCCNCC=C(Cl)Cl ZINC001163860189 806838139 /nfs/dbraw/zinc/83/81/39/806838139.db2.gz AUVVLHSRVFYCSK-UHFFFAOYSA-N 0 3 293.238 3.004 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027963479 800826826 /nfs/dbraw/zinc/82/68/26/800826826.db2.gz LVBAMORWUCMGLE-DLBZAZTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001028027682 800828834 /nfs/dbraw/zinc/82/88/34/800828834.db2.gz AYYJYHAQNSXPGR-OAHLLOKOSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001028278984 800837659 /nfs/dbraw/zinc/83/76/59/800837659.db2.gz HEEMMYUZZCVEPO-SFHVURJKSA-N 0 3 294.398 3.220 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cc1 ZINC001032748931 800935465 /nfs/dbraw/zinc/93/54/65/800935465.db2.gz JPHBNWSKPZRQFY-ROUUACIJSA-N 0 3 298.430 3.285 20 30 CGEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033644184 800973447 /nfs/dbraw/zinc/97/34/47/800973447.db2.gz JGZYVGJELGOSRC-CQSZACIVSA-N 0 3 292.448 3.087 20 30 CGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033644183 800973589 /nfs/dbraw/zinc/97/35/89/800973589.db2.gz JGZYVGJELGOSRC-AWEZNQCLSA-N 0 3 292.448 3.087 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693295 800974794 /nfs/dbraw/zinc/97/47/94/800974794.db2.gz RXTYTDPTLNLVPS-SFHVURJKSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001033722748 800979287 /nfs/dbraw/zinc/97/92/87/800979287.db2.gz MDKZFEGWYUGPKG-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033946934 800990676 /nfs/dbraw/zinc/99/06/76/800990676.db2.gz ZAOVSNGJJAJSMG-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033948705 800991908 /nfs/dbraw/zinc/99/19/08/800991908.db2.gz BSIWSNNZQLVPJK-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022398 800994163 /nfs/dbraw/zinc/99/41/63/800994163.db2.gz AYIARWUNIMEQNO-KRWDZBQOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034409893 801024564 /nfs/dbraw/zinc/02/45/64/801024564.db2.gz ZTMFDUDTRRMNFQ-BRWVUGGUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038929690 801136998 /nfs/dbraw/zinc/13/69/98/801136998.db2.gz LIBMPORHYZSMGX-AWEZNQCLSA-N 0 3 294.345 3.004 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001038965834 801137359 /nfs/dbraw/zinc/13/73/59/801137359.db2.gz ORUJSSQMHDIONS-QGZVFWFLSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)c(C)s2)CC1 ZINC001045636009 801283028 /nfs/dbraw/zinc/28/30/28/801283028.db2.gz BMHUBJFPWBUPSA-UHFFFAOYSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046254166 801304657 /nfs/dbraw/zinc/30/46/57/801304657.db2.gz JCORZOXCWYDAOB-KRWDZBQOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2csc(C)c2C)C1 ZINC001046344085 801308975 /nfs/dbraw/zinc/30/89/75/801308975.db2.gz HUOLHTPXRCFZQJ-INIZCTEOSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C)cc2C)C1 ZINC001046814123 801324837 /nfs/dbraw/zinc/32/48/37/801324837.db2.gz HHGFBHFJMGSJTJ-SFHVURJKSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCCCC1 ZINC001049372333 801369162 /nfs/dbraw/zinc/36/91/62/801369162.db2.gz IWSAALOMMSVDDC-IAGOWNOFSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)ccc1C ZINC001049862549 801390631 /nfs/dbraw/zinc/39/06/31/801390631.db2.gz IOFQQVCTLHCQGU-MSOLQXFVSA-N 0 3 298.430 3.168 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)CC1 ZINC001052842758 801453533 /nfs/dbraw/zinc/45/35/33/801453533.db2.gz AGWDBTYCBIBPGF-GOSISDBHSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CC2CCCCC2)CC[C@@H]1C ZINC001071335373 801530623 /nfs/dbraw/zinc/53/06/23/801530623.db2.gz VCUWMDVAEDCKDG-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1C[C@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373645 801532329 /nfs/dbraw/zinc/53/23/29/801532329.db2.gz MLXYXLDEFILOQX-GDBMZVCRSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCN1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071420981 801536633 /nfs/dbraw/zinc/53/66/33/801536633.db2.gz WIDHWXVEUUMBCH-CZUORRHYSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001076498010 801619350 /nfs/dbraw/zinc/61/93/50/801619350.db2.gz ZBUQPLSEYUKWDW-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C1CCC(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)CC1 ZINC001080384548 801651993 /nfs/dbraw/zinc/65/19/93/801651993.db2.gz DCHBHFVQSBRDDN-NVXWUHKLSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001080835805 801656365 /nfs/dbraw/zinc/65/63/65/801656365.db2.gz ONUWWPVHCKCZHB-RHSMWYFYSA-N 0 3 286.419 3.046 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001081053783 801659158 /nfs/dbraw/zinc/65/91/58/801659158.db2.gz QTUNVPIJSGBMRW-ZIAGYGMSSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001084222233 801665393 /nfs/dbraw/zinc/66/53/93/801665393.db2.gz KLJQUWQVMFYQRK-IAGOWNOFSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085909441 801710443 /nfs/dbraw/zinc/71/04/43/801710443.db2.gz JQVXPGLDOHCECQ-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085938506 801711979 /nfs/dbraw/zinc/71/19/79/801711979.db2.gz IVYYMSFMKVMQKJ-CYBMUJFWSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001086320261 801727556 /nfs/dbraw/zinc/72/75/56/801727556.db2.gz OOBVTBHGADZSPD-CTYIDZIISA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1CC ZINC001087817485 801768340 /nfs/dbraw/zinc/76/83/40/801768340.db2.gz SDXCKBNPTGBUQM-DLBZAZTESA-N 0 3 286.419 3.072 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1C ZINC001089078658 801821646 /nfs/dbraw/zinc/82/16/46/801821646.db2.gz PYNYGARMGQQYLR-KGLIPLIRSA-N 0 3 292.467 3.214 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC1CCC1 ZINC001099000479 801924552 /nfs/dbraw/zinc/92/45/52/801924552.db2.gz JTTPTSQAKYDSSZ-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001099060906 801927661 /nfs/dbraw/zinc/92/76/61/801927661.db2.gz PODAHCCHADWLBQ-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCCC)C2 ZINC001109229444 802112162 /nfs/dbraw/zinc/11/21/62/802112162.db2.gz UVDBTFGCPZBZPM-WCVJEAGWSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCCC1)C2 ZINC001109917542 802126543 /nfs/dbraw/zinc/12/65/43/802126543.db2.gz YVFZUUKMFKIYPF-PMPSAXMXSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](CC)C(C)C)C2 ZINC001110004746 802129888 /nfs/dbraw/zinc/12/98/88/802129888.db2.gz XTNUIWZRLJXODK-YVSFHVDLSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(CC)CC)C2 ZINC001111432028 802159847 /nfs/dbraw/zinc/15/98/47/802159847.db2.gz WKOJTLPNSOKZMY-KFWWJZLASA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C=C2CCCCC2)CC1 ZINC001112657430 802185162 /nfs/dbraw/zinc/18/51/62/802185162.db2.gz GBYFYEKIQYCVHR-MRXNPFEDSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001112885561 802193233 /nfs/dbraw/zinc/19/32/33/802193233.db2.gz FLPAHSHIQPWVEH-UHFFFAOYSA-N 0 3 292.467 3.335 20 30 CGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001113230264 802208503 /nfs/dbraw/zinc/20/85/03/802208503.db2.gz ZSSNZJAFJABGEM-CVEARBPZSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCC2CC2)C1 ZINC001116554726 802378031 /nfs/dbraw/zinc/37/80/31/802378031.db2.gz CJAPCIRXGCOTFQ-KRWDZBQOSA-N 0 3 287.403 3.252 20 30 CGEDHN Cc1cncc([C@@H](C)NCc2cccc(OCC#N)c2)c1 ZINC001116637269 802390386 /nfs/dbraw/zinc/39/03/86/802390386.db2.gz RNXCAYAAETURIB-CQSZACIVSA-N 0 3 281.359 3.143 20 30 CGEDHN C#CCN(Cc1cc(=O)oc2cc(C)ccc12)C(C)(C)C ZINC001176287096 809661527 /nfs/dbraw/zinc/66/15/27/809661527.db2.gz BJWDDYXNQBOANJ-UHFFFAOYSA-N 0 3 283.371 3.335 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC001121866565 802848516 /nfs/dbraw/zinc/84/85/16/802848516.db2.gz BGCIXZGZKUAUOY-WFASDCNBSA-N 0 3 276.380 3.016 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2(C)CC2)cc1 ZINC001122542968 802875066 /nfs/dbraw/zinc/87/50/66/802875066.db2.gz XJMSXWVKXNERJB-HNNXBMFYSA-N 0 3 298.386 3.477 20 30 CGEDHN C[C@H]1CCc2c(scc2C(=O)C(C#N)c2nccn2C)C1 ZINC001122609657 802876428 /nfs/dbraw/zinc/87/64/28/802876428.db2.gz LUPVIYMZXPTCRR-CMPLNLGQSA-N 0 3 299.399 3.096 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001122609908 802876629 /nfs/dbraw/zinc/87/66/29/802876629.db2.gz OUQCVADXGRENNM-LXTVHRRPSA-N 0 3 285.391 3.203 20 30 CGEDHN N#CC(C(=O)CC1CC1)c1nc2c(cccc2Cl)[nH]1 ZINC001123346612 802932365 /nfs/dbraw/zinc/93/23/65/802932365.db2.gz ORLAAPUBSHSNIT-VIFPVBQESA-N 0 3 273.723 3.193 20 30 CGEDHN C=C(CC)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001123593179 802955417 /nfs/dbraw/zinc/95/54/17/802955417.db2.gz CKFFREYTRIHIRY-INIZCTEOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131989160 803364126 /nfs/dbraw/zinc/36/41/26/803364126.db2.gz UPUBAONNEDWLPH-GDBMZVCRSA-N 0 3 278.440 3.278 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)(C)C2CC2)CC[C@@H]1C ZINC001132007341 803367756 /nfs/dbraw/zinc/36/77/56/803367756.db2.gz ZKXHGSFFTHLGEU-GOEBONIOSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)(C)CC)CC[C@H]1C ZINC001132054915 803369582 /nfs/dbraw/zinc/36/95/82/803369582.db2.gz UWWYPKYHTWFKEA-HUUCEWRRSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132223571 803381791 /nfs/dbraw/zinc/38/17/91/803381791.db2.gz FCUGIPHRSLPETH-USCQQBMNSA-N 0 3 276.424 3.054 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(C)C)CC[C@@H]1C ZINC001132319053 803395476 /nfs/dbraw/zinc/39/54/76/803395476.db2.gz UBTFZBGFJJZMLY-HOTGVXAUSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCC(C)(C)C)CC[C@H]1C ZINC001132370824 803397987 /nfs/dbraw/zinc/39/79/87/803397987.db2.gz BXABPZMLYVWTSM-CABCVRRESA-N 0 3 280.456 3.358 20 30 CGEDHN N#Cc1cccc(-c2cncc(CN3CCCC3)c2)c1F ZINC001245071288 803631297 /nfs/dbraw/zinc/63/12/97/803631297.db2.gz LHBTWYSTTKNQOF-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)c1ccccc1 ZINC001136469252 803644154 /nfs/dbraw/zinc/64/41/54/803644154.db2.gz VTVNSBFUSCMQJY-UHFFFAOYSA-N 0 3 274.408 3.184 20 30 CGEDHN Cc1ccc2c(CN3CCC4SC(=O)C=C4C3)c[nH]c2c1 ZINC001136969750 803665265 /nfs/dbraw/zinc/66/52/65/803665265.db2.gz AHVIBPRPIWHYLX-MRXNPFEDSA-N 0 3 298.411 3.250 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985792 803667737 /nfs/dbraw/zinc/66/77/37/803667737.db2.gz VSTRPOSDYZTKLF-LBPRGKRZSA-N 0 3 256.324 3.152 20 30 CGEDHN SCc1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245424658 803734153 /nfs/dbraw/zinc/73/41/53/803734153.db2.gz FKNQUTXZFPGWND-KRWDZBQOSA-N 0 3 289.444 3.385 20 30 CGEDHN Cc1cc(C2=CC[C@@H](N3CCOCC3)CC2)ccc1CC#N ZINC001245428884 803734988 /nfs/dbraw/zinc/73/49/88/803734988.db2.gz WRMSOLKUFVYTCN-LJQANCHMSA-N 0 3 296.414 3.329 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@](C)(O)[C@H](C)C1 ZINC001138662400 803997969 /nfs/dbraw/zinc/99/79/69/803997969.db2.gz WYTUGHJGKSDXHG-QAPCUYQASA-N 0 3 289.419 3.234 20 30 CGEDHN Cc1cccc(Cl)c1CN1CCC2SC(=O)C=C2C1 ZINC001138721514 804017231 /nfs/dbraw/zinc/01/72/31/804017231.db2.gz XBSDCOHEHFBOPR-AWEZNQCLSA-N 0 3 293.819 3.423 20 30 CGEDHN C=CCOc1ccccc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001139029010 804112621 /nfs/dbraw/zinc/11/26/21/804112621.db2.gz NBGOEFXAXZNTED-KGLIPLIRSA-N 0 3 279.330 3.338 20 30 CGEDHN C=CCOc1ccccc1CN1CCN(CCCC)CC1 ZINC001139029950 804113455 /nfs/dbraw/zinc/11/34/55/804113455.db2.gz XRGHKFIBIDYEGS-UHFFFAOYSA-N 0 3 288.435 3.169 20 30 CGEDHN CCCCCCC[C@@H](CCC)N[C@H]1CNCCC1=O ZINC001246295062 804263905 /nfs/dbraw/zinc/26/39/05/804263905.db2.gz SMYGVUMWWYYXMK-CABCVRRESA-N 0 3 268.445 3.036 20 30 CGEDHN CCCCCCCN(C)Cc1cnc2c(c1)OCCO2 ZINC001139734491 804270231 /nfs/dbraw/zinc/27/02/31/804270231.db2.gz PJZAEZYQIJMNID-UHFFFAOYSA-N 0 3 278.396 3.255 20 30 CGEDHN C=CCn1cc(CN2CCC(c3ccccc3)CC2)cn1 ZINC001139767960 804277077 /nfs/dbraw/zinc/27/70/77/804277077.db2.gz GFYSZMBFFANEGI-UHFFFAOYSA-N 0 3 281.403 3.449 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001139869595 804303014 /nfs/dbraw/zinc/30/30/14/804303014.db2.gz MLKIGXNUILVQFR-JKSUJKDBSA-N 0 3 280.456 3.169 20 30 CGEDHN CN(Cc1ccc2c(cnn2C)c1)Cc1cccc(C#N)c1 ZINC001139957708 804337249 /nfs/dbraw/zinc/33/72/49/804337249.db2.gz PPWLZFPCWRYVQQ-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN CCCCCCC[C@H](CCC)N1CC2(C1)CNCCO2 ZINC001246617612 804452339 /nfs/dbraw/zinc/45/23/39/804452339.db2.gz CTTLBBKRTMVNJM-INIZCTEOSA-N 0 3 282.472 3.190 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CC[C@@H](F)C3)CC2)cn1 ZINC001140545765 804457878 /nfs/dbraw/zinc/45/78/78/804457878.db2.gz KFDLIGMOLCSXIG-CQSZACIVSA-N 0 3 273.355 3.057 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4ccncc43)CCC2S1 ZINC001140641252 804481564 /nfs/dbraw/zinc/48/15/64/804481564.db2.gz FCHDVXKGRHVNGJ-INIZCTEOSA-N 0 3 296.395 3.009 20 30 CGEDHN CCCCCN(C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140751089 804504726 /nfs/dbraw/zinc/50/47/26/804504726.db2.gz ITMJNSZDKWOODJ-UHFFFAOYSA-N 0 3 252.308 3.458 20 30 CGEDHN CC1(C)CN(Cc2c[nH]c3cc(C#N)ccc23)CC(C)(C)O1 ZINC001142926538 804784921 /nfs/dbraw/zinc/78/49/21/804784921.db2.gz VAMPTUWAOMSODO-UHFFFAOYSA-N 0 3 297.402 3.429 20 30 CGEDHN N#Cc1ccc2c(CN3CCC4(CCCO4)CC3)c[nH]c2c1 ZINC001142921483 804785166 /nfs/dbraw/zinc/78/51/66/804785166.db2.gz OQMFQSBBTRIDRU-UHFFFAOYSA-N 0 3 295.386 3.185 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921202 804785231 /nfs/dbraw/zinc/78/52/31/804785231.db2.gz JOONWFIMFQSVKO-CYBMUJFWSA-N 0 3 278.359 3.165 20 30 CGEDHN C=CC[C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001144020808 804925001 /nfs/dbraw/zinc/92/50/01/804925001.db2.gz IIVAIDJIBLHICP-DOTOQJQBSA-N 0 3 286.419 3.152 20 30 CGEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001144069477 804933118 /nfs/dbraw/zinc/93/31/18/804933118.db2.gz ZSWCKALDMSDHGS-UHFFFAOYSA-N 0 3 288.435 3.179 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001248748366 804983003 /nfs/dbraw/zinc/98/30/03/804983003.db2.gz HKGONWSMJSLDPZ-AEFFLSMTSA-N 0 3 284.403 3.122 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001144573632 805008657 /nfs/dbraw/zinc/00/86/57/805008657.db2.gz NSRHEVQXEJTKJJ-HXUWFJFHSA-N 0 3 291.394 3.459 20 30 CGEDHN C#Cc1ccc(CN2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC001144574014 805009313 /nfs/dbraw/zinc/00/93/13/805009313.db2.gz YBSABNXXLHHJJG-HXUWFJFHSA-N 0 3 290.410 3.157 20 30 CGEDHN N#Cc1ccn2ncc(CN3CCC4(CCCC4)CC3)c2c1 ZINC001249086347 805086688 /nfs/dbraw/zinc/08/66/88/805086688.db2.gz CUJUSPCQNKOWOS-UHFFFAOYSA-N 0 3 294.402 3.362 20 30 CGEDHN C#CC[C@]1(c2nc(-c3cccc4ccoc43)no2)CCCN1 ZINC001249351717 805132744 /nfs/dbraw/zinc/13/27/44/805132744.db2.gz DPTSPFNPFKCPLX-QGZVFWFLSA-N 0 3 293.326 3.085 20 30 CGEDHN N#Cc1ccc2cc(CN3C[C@H]4[C@H](CC4(F)F)C3)[nH]c2c1 ZINC001249426948 805146355 /nfs/dbraw/zinc/14/63/55/805146355.db2.gz LWQWWJQQIPDUCS-OCCSQVGLSA-N 0 3 287.313 3.127 20 30 CGEDHN Cc1cccc(C#N)c1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249558758 805175362 /nfs/dbraw/zinc/17/53/62/805175362.db2.gz AULVLODVTPYKJO-QGZVFWFLSA-N 0 3 297.402 3.047 20 30 CGEDHN Cc1ccc(C#N)cc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249557830 805175745 /nfs/dbraw/zinc/17/57/45/805175745.db2.gz BHOPRGLYCLFMKJ-KRWDZBQOSA-N 0 3 297.402 3.047 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@H](CC)CCCCC)C2)C1 ZINC001148803952 805211704 /nfs/dbraw/zinc/21/17/04/805211704.db2.gz MCSVXBZSKQYFQK-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN CC#CCNCCNC(=O)[C@@H](C)CCCCCCCC ZINC001151848813 805318186 /nfs/dbraw/zinc/31/81/86/805318186.db2.gz SDUMCVXRHCLEEM-INIZCTEOSA-N 0 3 280.456 3.102 20 30 CGEDHN C=CCOCc1nn(C)c2c1CN([C@H](CC)CCC)CC2 ZINC001257261420 807077756 /nfs/dbraw/zinc/07/77/56/807077756.db2.gz VFRCDFVIMKJSGT-CQSZACIVSA-N 0 3 291.439 3.060 20 30 CGEDHN CC[C@@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001257448524 807162062 /nfs/dbraw/zinc/16/20/62/807162062.db2.gz ULCWDCPBYRZVRW-CYBMUJFWSA-N 0 3 260.356 3.481 20 30 CGEDHN C=CCCCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001167784469 807250522 /nfs/dbraw/zinc/25/05/22/807250522.db2.gz JDFYTDADDFXFFX-GOSISDBHSA-N 0 3 283.419 3.225 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(c2ccncn2)CC1 ZINC001258050134 807275532 /nfs/dbraw/zinc/27/55/32/807275532.db2.gz REYCCIQMUJGKMT-INIZCTEOSA-N 0 3 290.455 3.348 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN2C(=O)CC[C@@H]2C1 ZINC001258050491 807277290 /nfs/dbraw/zinc/27/72/90/807277290.db2.gz WAGZKNGGPFJMRQ-HUUCEWRRSA-N 0 3 266.429 3.042 20 30 CGEDHN C=CCC[C@H](C)NCC(=O)c1ccc(F)cc1F ZINC001258718034 807567594 /nfs/dbraw/zinc/56/75/94/807567594.db2.gz CUEROBUAWSLOCE-JTQLQIEISA-N 0 3 253.292 3.092 20 30 CGEDHN C=CCC[C@H](C)N1CCc2nc(C3CC3)ncc2C1 ZINC001258733235 807579742 /nfs/dbraw/zinc/57/97/42/807579742.db2.gz WYRAVPQSOGVUNK-LBPRGKRZSA-N 0 3 257.381 3.067 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001258735996 807582543 /nfs/dbraw/zinc/58/25/43/807582543.db2.gz HXMWGVYFSGSBNU-DGCLKSJQSA-N 0 3 298.228 3.247 20 30 CGEDHN C[C@@H]1CCC[C@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001258808082 807628424 /nfs/dbraw/zinc/62/84/24/807628424.db2.gz MPZQSBLZWXKSHF-KOLCDFICSA-N 0 3 251.761 3.019 20 30 CGEDHN C#C[C@@H](NCc1c(C)c(C)c(C)c(C)c1C)[C@@H]1CCCO1 ZINC001169494629 807652087 /nfs/dbraw/zinc/65/20/87/807652087.db2.gz NAWWXFNENSXXEP-MOPGFXCFSA-N 0 3 285.431 3.499 20 30 CGEDHN C=CCO[C@@H]1CCN(CCCc2c(F)cccc2F)C1 ZINC001261544297 807756061 /nfs/dbraw/zinc/75/60/61/807756061.db2.gz NKGNVPBIJGLYSO-CYBMUJFWSA-N 0 3 281.346 3.174 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1cccc(C(C)C)c1 ZINC001170128193 807769863 /nfs/dbraw/zinc/76/98/63/807769863.db2.gz URLXDRZWJYQKAT-UHFFFAOYSA-N 0 3 294.826 3.272 20 30 CGEDHN C[C@@H](NC(=O)[C@H](N)CC1CCCCC1)c1cccc(C#N)c1 ZINC001262047408 807813580 /nfs/dbraw/zinc/81/35/80/807813580.db2.gz OTPJSGCOVJYVNA-CXAGYDPISA-N 0 3 299.418 3.033 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cc(Cl)ccc3C2)CCC1 ZINC001171092417 807981339 /nfs/dbraw/zinc/98/13/39/807981339.db2.gz XSAGUMZKOPNEQM-HNNXBMFYSA-N 0 3 274.795 3.481 20 30 CGEDHN COCC#CCN[C@@](C)(Cc1ccccc1)c1ccccc1 ZINC001171156439 807998290 /nfs/dbraw/zinc/99/82/90/807998290.db2.gz LTVMCNGKUOBYSA-FQEVSTJZSA-N 0 3 293.410 3.384 20 30 CGEDHN COc1cccc(F)c1CN[C@H](C)Cc1cccc(C#N)c1 ZINC001171182818 808001855 /nfs/dbraw/zinc/00/18/55/808001855.db2.gz ZATVRTSHPWZPAK-CYBMUJFWSA-N 0 3 298.361 3.427 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1noc2ccccc21 ZINC001171193333 808005617 /nfs/dbraw/zinc/00/56/17/808005617.db2.gz WEHYOKFKKOKCLI-CYBMUJFWSA-N 0 3 291.354 3.420 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@](C)(F)CCCC ZINC001263801725 808006916 /nfs/dbraw/zinc/00/69/16/808006916.db2.gz BSGLRHAJBSEARU-RDJZCZTQSA-N 0 3 298.446 3.404 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cn(C2CCC2)cn1 ZINC001171198712 808007864 /nfs/dbraw/zinc/00/78/64/808007864.db2.gz OJKVMXYRJUYTRY-CQSZACIVSA-N 0 3 294.402 3.201 20 30 CGEDHN N#Cc1ccccc1CN[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454600 808061328 /nfs/dbraw/zinc/06/13/28/808061328.db2.gz VKINVLMWUOVWSE-MRXNPFEDSA-N 0 3 298.336 3.484 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)[C@H]1C ZINC001264733518 808087441 /nfs/dbraw/zinc/08/74/41/808087441.db2.gz FPQPDEDMTWJSNB-WBVHZDCISA-N 0 3 294.483 3.460 20 30 CGEDHN C#C[C@@H]1CCCN([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171544477 808089443 /nfs/dbraw/zinc/08/94/43/808089443.db2.gz VFPGLPILVNEPMC-DGCLKSJQSA-N 0 3 293.332 3.306 20 30 CGEDHN CC(C)C[C@H](C#N)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171735388 808128375 /nfs/dbraw/zinc/12/83/75/808128375.db2.gz WIZSDFSROAULPI-CGTJXYLNSA-N 0 3 285.435 3.177 20 30 CGEDHN CC1(C)CC(CN2CCN(c3ccsc3C#N)CC2)C1 ZINC001171937257 808156232 /nfs/dbraw/zinc/15/62/32/808156232.db2.gz MPUAAKYWJAZRQO-UHFFFAOYSA-N 0 3 289.448 3.178 20 30 CGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001265640534 808163098 /nfs/dbraw/zinc/16/30/98/808163098.db2.gz GDEZRUXTIYLVCH-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H]1CSc2ccccc2C1 ZINC001172198928 808196287 /nfs/dbraw/zinc/19/62/87/808196287.db2.gz YGHRVIIYOGMYDN-KRWDZBQOSA-N 0 3 279.408 3.345 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1ccccc1C#N ZINC001172292282 808218015 /nfs/dbraw/zinc/21/80/15/808218015.db2.gz FDXPCQNMMQTEKR-CQSZACIVSA-N 0 3 275.355 3.151 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)n1nc(CN)c2ccccc21 ZINC001172295499 808219015 /nfs/dbraw/zinc/21/90/15/808219015.db2.gz SEKOGKWRYDYYQQ-ZDUSSCGKSA-N 0 3 290.370 3.170 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001266836987 808321307 /nfs/dbraw/zinc/32/13/07/808321307.db2.gz GPEVOHDKJOMLQC-CVEARBPZSA-N 0 3 280.456 3.360 20 30 CGEDHN CC(C)COCC[C@H](C)NCc1ccccc1C#N ZINC001172458848 808329495 /nfs/dbraw/zinc/32/94/95/808329495.db2.gz CPGLMMWZPKKDDE-AWEZNQCLSA-N 0 3 260.381 3.099 20 30 CGEDHN CCCCCCCC[C@H](CC)N[C@H]1C=CS(=O)(=O)C1 ZINC001172504645 808361210 /nfs/dbraw/zinc/36/12/10/808361210.db2.gz HNEGPMFVMSUFPZ-GJZGRUSLSA-N 0 3 287.469 3.416 20 30 CGEDHN N=C(N[C@H]1CC[C@@H](c2ccccc2)C1)c1ccc(F)cn1 ZINC001172552004 808381085 /nfs/dbraw/zinc/38/10/85/808381085.db2.gz VFVVYYWCHUNGGH-HIFRSBDPSA-N 0 3 283.350 3.262 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001267212365 808383705 /nfs/dbraw/zinc/38/37/05/808383705.db2.gz MVTYHDZQXZYVHP-UHFFFAOYSA-N 0 3 288.435 3.009 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC001267279933 808403363 /nfs/dbraw/zinc/40/33/63/808403363.db2.gz NVWDQPRKUCRQMM-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)CCC)c1ccccc1 ZINC001267350129 808420450 /nfs/dbraw/zinc/42/04/50/808420450.db2.gz ADGVBFSFJSMFEA-HOCLYGCPSA-N 0 3 274.408 3.056 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCC1(C)C)c1ccccc1 ZINC001267518641 808438417 /nfs/dbraw/zinc/43/84/17/808438417.db2.gz BNGRESGNFYQJMV-HOTGVXAUSA-N 0 3 286.419 3.056 20 30 CGEDHN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC)CCCC1 ZINC001267538593 808442002 /nfs/dbraw/zinc/44/20/02/808442002.db2.gz UOAZCNNMYXOAIX-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN Cc1ccc2c(c1)C[C@H](NC(=N)c1ccc(Cl)cn1)CC2 ZINC001172834667 808452183 /nfs/dbraw/zinc/45/21/83/808452183.db2.gz HRLGLFKXCULJLQ-OAHLLOKOSA-N 0 3 299.805 3.306 20 30 CGEDHN C=CCN(CC=C)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173064407 808503091 /nfs/dbraw/zinc/50/30/91/808503091.db2.gz GCNIKAPRGHKXDB-GJZGRUSLSA-N 0 3 294.439 3.448 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001267937705 808517603 /nfs/dbraw/zinc/51/76/03/808517603.db2.gz SYPURAVQGLWQKQ-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1(CC#N)CCCC1 ZINC001173224661 808541957 /nfs/dbraw/zinc/54/19/57/808541957.db2.gz GJKDETPIINORQH-CYBMUJFWSA-N 0 3 287.363 3.342 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001268156959 808550550 /nfs/dbraw/zinc/55/05/50/808550550.db2.gz OACVQEVFYKJNKV-CQSZACIVSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C1CCC=CCC1)C(C)C ZINC001268226467 808561826 /nfs/dbraw/zinc/56/18/26/808561826.db2.gz ACMYQEYNXOOTLR-OAHLLOKOSA-N 0 3 298.858 3.216 20 30 CGEDHN C=CCOC1CCC(N2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001173321355 808611835 /nfs/dbraw/zinc/61/18/35/808611835.db2.gz JIWVXVLSBALTSZ-NEXFUWMNSA-N 0 3 273.367 3.272 20 30 CGEDHN Cc1ccc(F)c(CNC2CCC(CC#N)CC2)n1 ZINC001173329476 808615162 /nfs/dbraw/zinc/61/51/62/808615162.db2.gz DRJUQDCBMWPWPF-UHFFFAOYSA-N 0 3 261.344 3.091 20 30 CGEDHN CC1(C#N)CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173598996 808651526 /nfs/dbraw/zinc/65/15/26/808651526.db2.gz XSRKPPLMCAUFPE-UHFFFAOYSA-N 0 3 270.376 3.223 20 30 CGEDHN CC1(C#N)CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173598996 808651531 /nfs/dbraw/zinc/65/15/31/808651531.db2.gz XSRKPPLMCAUFPE-UHFFFAOYSA-N 0 3 270.376 3.223 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccoc1CC ZINC001269229301 808657922 /nfs/dbraw/zinc/65/79/22/808657922.db2.gz GWAOWXUEBUSOKJ-KBPBESRZSA-N 0 3 290.407 3.001 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)CC/C=C\c1ccccc1 ZINC001269293084 808666628 /nfs/dbraw/zinc/66/66/28/808666628.db2.gz UYTLTFIYHDCRKN-VTSXBNNFSA-N 0 3 298.430 3.247 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)c1ccccc1C ZINC001272178261 808800846 /nfs/dbraw/zinc/80/08/46/808800846.db2.gz FERCCJLZYCPZDB-MRXNPFEDSA-N 0 3 288.435 3.065 20 30 CGEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(CC(C)C)C2 ZINC001273491815 808848184 /nfs/dbraw/zinc/84/81/84/808848184.db2.gz KVTXWEIMAVIGMW-KRWDZBQOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)/C(C)=C/C)cc2C1 ZINC001274027928 808866653 /nfs/dbraw/zinc/86/66/53/808866653.db2.gz PCRXGWFPNXMKCM-LHHJGKSTSA-N 0 3 284.403 3.161 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC001275628957 808953650 /nfs/dbraw/zinc/95/36/50/808953650.db2.gz IHXWZTIJZPBDJF-HOTGVXAUSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001276941803 809047040 /nfs/dbraw/zinc/04/70/40/809047040.db2.gz QPHFJDDGHGZBJF-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCCCCN1CC2(C[C@@H]2C(=O)N(CC)C(C)C)C1 ZINC001277150838 809059368 /nfs/dbraw/zinc/05/93/68/809059368.db2.gz FUQKYJDDMATQQS-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCCCCN1CC[C@H]2C[C@]21C(N)=O ZINC001277234440 809065159 /nfs/dbraw/zinc/06/51/59/809065159.db2.gz ZXEDHFNPRCQKFH-GOEBONIOSA-N 0 3 266.429 3.077 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC(C)(C)CC)C1 ZINC001279236773 809168738 /nfs/dbraw/zinc/16/87/38/809168738.db2.gz WDYIQPROTMCKPG-UHFFFAOYSA-N 0 3 286.847 3.144 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001282740982 809261495 /nfs/dbraw/zinc/26/14/95/809261495.db2.gz PTSMZVYRKJTBJA-RDJZCZTQSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)/C(C)=C\CC)c(F)c1 ZINC001285004057 809321364 /nfs/dbraw/zinc/32/13/64/809321364.db2.gz FDGGMFVHARIBMU-MLPAPPSSSA-N 0 3 290.382 3.074 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)/C=C(\C)CC)c(F)c1 ZINC001285003484 809321774 /nfs/dbraw/zinc/32/17/74/809321774.db2.gz AEPOOJWUINPMMB-UKTHLTGXSA-N 0 3 290.382 3.074 20 30 CGEDHN C=C(CC)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001296778910 809508912 /nfs/dbraw/zinc/50/89/12/809508912.db2.gz JTDXIVNUAFSLDT-KRWDZBQOSA-N 0 3 288.435 3.225 20 30 CGEDHN CC#CCN1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001175802757 809547402 /nfs/dbraw/zinc/54/74/02/809547402.db2.gz YSOPOUOYLPFYGU-INIZCTEOSA-N 0 3 279.387 3.279 20 30 CGEDHN C[NH+](C)Cc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001176293177 809664348 /nfs/dbraw/zinc/66/43/48/809664348.db2.gz GLCCNCMDKHFKJM-UHFFFAOYSA-N 0 3 267.332 3.069 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001177309924 809792954 /nfs/dbraw/zinc/79/29/54/809792954.db2.gz KTIFBNJKZUDHGQ-GXTWGEPZSA-N 0 3 286.847 3.051 20 30 CGEDHN C#CCC[C@H](O)CNCc1ccc(Cl)c(C)c1Cl ZINC001179489391 809925386 /nfs/dbraw/zinc/92/53/86/809925386.db2.gz MDTHTRAELSHJFF-LBPRGKRZSA-N 0 3 286.202 3.166 20 30 CGEDHN C(#Cc1ccccc1)CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001181869472 810077673 /nfs/dbraw/zinc/07/76/73/810077673.db2.gz CGXCRWPJCFJWQV-QZTJIDSGSA-N 0 3 251.373 3.159 20 30 CGEDHN C=C(C)CCNCc1sc(N2CCCC2)nc1Cl ZINC001181893554 810081723 /nfs/dbraw/zinc/08/17/23/810081723.db2.gz STFNOZPHYHDESO-UHFFFAOYSA-N 0 3 285.844 3.453 20 30 CGEDHN C=CCC[C@@H](CC)N[C@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184328649 810192656 /nfs/dbraw/zinc/19/26/56/810192656.db2.gz QDULFHGKRBVJBL-KGLIPLIRSA-N 0 3 280.799 3.201 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)CC(C)C)[C@@H]2C1 ZINC001189692242 810585728 /nfs/dbraw/zinc/58/57/28/810585728.db2.gz MSYHDMXTLYYBOL-YESZJQIVSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190369675 810624341 /nfs/dbraw/zinc/62/43/41/810624341.db2.gz FKHSZDNODUJVSY-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCN(CCCc1cccnc1)Cc1ccc(F)cc1 ZINC001190708789 810644290 /nfs/dbraw/zinc/64/42/90/810644290.db2.gz VWCNRVVQMKMVQL-UHFFFAOYSA-N 0 3 282.362 3.289 20 30 CGEDHN C[C@@H](Cc1ccsc1)N(C)Cc1cc(C#N)ccn1 ZINC001191410012 810711896 /nfs/dbraw/zinc/71/18/96/810711896.db2.gz ZJFBBLALOGCTJW-LBPRGKRZSA-N 0 3 271.389 3.078 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N[C@H]1CN2CCC1CC2 ZINC001192944093 810832254 /nfs/dbraw/zinc/83/22/54/810832254.db2.gz KEYGFMIVLVLOQV-HOCLYGCPSA-N 0 3 295.471 3.129 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)cc1F ZINC001193920303 810980638 /nfs/dbraw/zinc/98/06/38/810980638.db2.gz LXGBAICYHYEICX-UHFFFAOYSA-N 0 3 284.806 3.419 20 30 CGEDHN CCCCCCCOC(=O)N1CCC2(CN(C)C2)CC1 ZINC001194004428 810998953 /nfs/dbraw/zinc/99/89/53/810998953.db2.gz PANFVJQZMMBBBC-UHFFFAOYSA-N 0 3 282.428 3.121 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194174636 811028279 /nfs/dbraw/zinc/02/82/79/811028279.db2.gz WZWBNUVCFXFTAE-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001194335959 811054179 /nfs/dbraw/zinc/05/41/79/811054179.db2.gz DXUHHJITXHWGOE-KRWDZBQOSA-N 0 3 294.483 3.414 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2ccoc2Cl)CC1 ZINC001195652357 811274372 /nfs/dbraw/zinc/27/43/72/811274372.db2.gz MUNMQOGFSAQGCV-UHFFFAOYSA-N 0 3 296.798 3.047 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N(C)C[C@H](C)C1CCCCC1 ZINC001196818025 811370792 /nfs/dbraw/zinc/37/07/92/811370792.db2.gz CSVWGVIYJPTPRR-ZFWWWQNUSA-N 0 3 267.413 3.252 20 30 CGEDHN C=CCCC1(C(=O)N2CCCN(CC[C@@H](C)F)CC2)CC1 ZINC001197062584 811393868 /nfs/dbraw/zinc/39/38/68/811393868.db2.gz UASCVJDNPBCGMG-OAHLLOKOSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCCN(CC/C=C/CC)CC2)C1 ZINC001197102630 811398915 /nfs/dbraw/zinc/39/89/15/811398915.db2.gz UVKHUXIXHKIAFW-AATRIKPKSA-N 0 3 290.451 3.233 20 30 CGEDHN C[C@H]1Cc2n[nH]cc2CN(CCC2(C#N)CCCCC2)C1 ZINC001197785304 811452485 /nfs/dbraw/zinc/45/24/85/811452485.db2.gz CNPMJRDZECYULW-AWEZNQCLSA-N 0 3 286.423 3.268 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@H](CC)C(C)C)CC1 ZINC001197879644 811459808 /nfs/dbraw/zinc/45/98/08/811459808.db2.gz KSZZMRVYQXJUHP-INIZCTEOSA-N 0 3 280.456 3.169 20 30 CGEDHN COc1ccc(Nc2ccc3c(c2)CN(C)CC3)cc1C#N ZINC001215006741 815476465 /nfs/dbraw/zinc/47/64/65/815476465.db2.gz SFFXDYLHZUWNGW-UHFFFAOYSA-N 0 3 293.370 3.298 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC(C)C)C12CCC2 ZINC001202446080 812097327 /nfs/dbraw/zinc/09/73/27/812097327.db2.gz BAMWUHAIGVACGA-KBPBESRZSA-N 0 3 298.858 3.192 20 30 CGEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1ccccc1C#N)C2 ZINC001204368055 812622516 /nfs/dbraw/zinc/62/25/16/812622516.db2.gz SJLWIZVMQAAPRE-MSOLQXFVSA-N 0 3 284.403 3.197 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC001205650962 813043306 /nfs/dbraw/zinc/04/33/06/813043306.db2.gz XNFMFQSWEHFDQK-GOSISDBHSA-N 0 3 291.329 3.346 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001206094661 813198419 /nfs/dbraw/zinc/19/84/19/813198419.db2.gz SWIIRWPYNGBHLB-UHFFFAOYSA-N 0 3 297.358 3.048 20 30 CGEDHN C=C(C)CO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001206750395 813419956 /nfs/dbraw/zinc/41/99/56/813419956.db2.gz HZTAVTSHZKHILA-LSDHHAIUSA-N 0 3 260.381 3.200 20 30 CGEDHN C=CCCCCCCCCCN(C)CC(=O)NCC ZINC001207896774 813667625 /nfs/dbraw/zinc/66/76/25/813667625.db2.gz VCLOAJNOUJRPSN-UHFFFAOYSA-N 0 3 268.445 3.361 20 30 CGEDHN C=CCCCCCCCCCN1CCN(CCCO)CC1 ZINC001207899162 813667695 /nfs/dbraw/zinc/66/76/95/813667695.db2.gz OLJKEYAMTXQSGU-UHFFFAOYSA-N 0 3 296.499 3.293 20 30 CGEDHN CCCCCCC/C=C/CN1CCN(CC(C)(C)O)CC1 ZINC001208124680 813698116 /nfs/dbraw/zinc/69/81/16/813698116.db2.gz XNIDNOZSDLIBHN-ZHACJKMWSA-N 0 3 296.499 3.292 20 30 CGEDHN CC/C=C\CCCN1CCN(c2ccccc2C#N)CC1 ZINC001208131972 813699868 /nfs/dbraw/zinc/69/98/68/813699868.db2.gz PMDMOSSLYVIIEU-ARJAWSKDSA-N 0 3 283.419 3.427 20 30 CGEDHN C=CCOCc1ncn2c1CN(CC/C=C\CC)CCC2 ZINC001208728214 813818191 /nfs/dbraw/zinc/81/81/91/813818191.db2.gz ZSBWIYHFETWOCG-WAYWQWQTSA-N 0 3 289.423 3.148 20 30 CGEDHN N#Cc1cccc(CCCN2CCC[C@@H]2c2cnccn2)c1 ZINC001208853845 813866187 /nfs/dbraw/zinc/86/61/87/813866187.db2.gz YTEFDJLKDQFOAV-GOSISDBHSA-N 0 3 292.386 3.118 20 30 CGEDHN CN1CC=C(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC001208910196 813898014 /nfs/dbraw/zinc/89/80/14/813898014.db2.gz LJVZQTCLEGQLOY-UHFFFAOYSA-N 0 3 281.281 3.208 20 30 CGEDHN C=CCN(CCN(C)Cc1cccc(C)c1)C(=O)OCC ZINC001209017429 813917376 /nfs/dbraw/zinc/91/73/76/813917376.db2.gz OODHZIWLBADEOX-UHFFFAOYSA-N 0 3 290.407 3.071 20 30 CGEDHN C=CCCCCN1CCN(c2ccc(F)cc2)CC1 ZINC001209201831 813964799 /nfs/dbraw/zinc/96/47/99/813964799.db2.gz URCHKHKSUQZFTP-UHFFFAOYSA-N 0 3 262.372 3.304 20 30 CGEDHN C=CCCCCN1Cc2cnn(CC)c2[C@@H](COCC)C1 ZINC001209200822 813964953 /nfs/dbraw/zinc/96/49/53/813964953.db2.gz PHJZWIBTTCLFFO-MRXNPFEDSA-N 0 3 291.439 3.195 20 30 CGEDHN C=CCCCCN(CCC(=O)OC)Cc1ccco1 ZINC001209202772 813966482 /nfs/dbraw/zinc/96/64/82/813966482.db2.gz PSINIORPQUMHNQ-UHFFFAOYSA-N 0 3 265.353 3.001 20 30 CGEDHN C=CCCCCCN(CCC(=O)OC)Cc1ccco1 ZINC001209427617 814028579 /nfs/dbraw/zinc/02/85/79/814028579.db2.gz VPPNPOLZBYWZPC-UHFFFAOYSA-N 0 3 279.380 3.391 20 30 CGEDHN C=CCCCCCCCCN1CCN(CC(C)(C)O)CC1 ZINC001209445324 814045760 /nfs/dbraw/zinc/04/57/60/814045760.db2.gz IOWZVHXTZQPVME-UHFFFAOYSA-N 0 3 296.499 3.292 20 30 CGEDHN C=CCCC1(C(=O)N2CCC[C@H](NC[C@@H](F)CC)C2)CC1 ZINC001209494269 814062721 /nfs/dbraw/zinc/06/27/21/814062721.db2.gz SNEWSJMWQVOOLR-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCC1(C(=O)N2CCC[C@@H](NC[C@@H](F)CC)C2)CC1 ZINC001209494272 814063229 /nfs/dbraw/zinc/06/32/29/814063229.db2.gz SNEWSJMWQVOOLR-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001211406031 814889382 /nfs/dbraw/zinc/88/93/82/814889382.db2.gz IKPIMHMKAHWREE-IXDOHACOSA-N 0 3 294.483 3.461 20 30 CGEDHN Cc1ccccc1[C@H](O[C@H]1CNC[C@H]1C#N)c1ccccc1 ZINC001217830067 815971338 /nfs/dbraw/zinc/97/13/38/815971338.db2.gz COAAWERDZHNPPD-NZSAHSFTSA-N 0 3 292.382 3.213 20 30 CGEDHN C=C(C)[C@@H]1CC=C(C)[C@@H](OC[C@H]2COC(C)(C)N2)C1 ZINC001217836890 815974241 /nfs/dbraw/zinc/97/42/41/815974241.db2.gz JDSCQVIPLPQKAP-ILXRZTDVSA-N 0 3 265.397 3.029 20 30 CGEDHN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H]1COC(C)(C)N1 ZINC001217895407 815994871 /nfs/dbraw/zinc/99/48/71/815994871.db2.gz APHIFLFRIAOTIV-ZQDZILKHSA-N 0 3 267.413 3.108 20 30 CGEDHN C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(Cl)c([O-])cc1C ZINC001218457593 816223645 /nfs/dbraw/zinc/22/36/45/816223645.db2.gz VJIFSKGFCKGQEG-TZMCWYRMSA-N 0 3 281.783 3.430 20 30 CGEDHN CC(C)c1ccc(C#N)c(O[C@H]2CNCc3ccccc32)n1 ZINC001218485397 816240242 /nfs/dbraw/zinc/24/02/42/816240242.db2.gz IYQCPOLIAHZOOE-KRWDZBQOSA-N 0 3 293.370 3.300 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C(CC)CC)[C@@H]2C1 ZINC001221660821 816324304 /nfs/dbraw/zinc/32/43/04/816324304.db2.gz BYMZGEFNSYXVSG-USXIJHARSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCn1cc(-c2cncc(CN3CCCCC3)c2)cn1 ZINC001222400253 816433587 /nfs/dbraw/zinc/43/35/87/816433587.db2.gz KFVGWKBPGZIQQP-UHFFFAOYSA-N 0 3 282.391 3.117 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CC/C=C\CCC ZINC001231169957 818051100 /nfs/dbraw/zinc/05/11/00/818051100.db2.gz LRZMMXKKNWIHJE-QWGSZXSUSA-N 0 3 278.440 3.232 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)c1 ZINC001231664884 818153559 /nfs/dbraw/zinc/15/35/59/818153559.db2.gz YPCUKCOVDJMXBJ-GOSISDBHSA-N 0 3 292.382 3.025 20 30 CGEDHN C#CC1CCN(Cc2ccnc(C(C)(C)C)c2)CC1 ZINC001232220983 818281945 /nfs/dbraw/zinc/28/19/45/818281945.db2.gz UIKRDJWCIXXSBF-UHFFFAOYSA-N 0 3 256.393 3.224 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(C4CC4)cc3)CCC2S1 ZINC001232982117 818490489 /nfs/dbraw/zinc/49/04/89/818490489.db2.gz PMBAPAWHKOIOSI-INIZCTEOSA-N 0 3 285.412 3.338 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(C4CC4)cc3)CC[C@@H]2S1 ZINC001232982117 818490491 /nfs/dbraw/zinc/49/04/91/818490491.db2.gz PMBAPAWHKOIOSI-INIZCTEOSA-N 0 3 285.412 3.338 20 30 CGEDHN CN(C)c1ccc(CN(C)C[C@@H]2CC2(C)C)c(F)c1C#N ZINC001233102059 818520709 /nfs/dbraw/zinc/52/07/09/818520709.db2.gz NDWWBBLEHLRJSX-ZDUSSCGKSA-N 0 3 289.398 3.241 20 30 CGEDHN Cc1ccnn1C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233083197 818521249 /nfs/dbraw/zinc/52/12/49/818521249.db2.gz ADWNIKFNVXOEDK-UHFFFAOYSA-N 0 3 294.402 3.209 20 30 CGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001233760740 818699136 /nfs/dbraw/zinc/69/91/36/818699136.db2.gz DHIYKMRWJHYQGA-UGAXZCSASA-N 0 3 290.451 3.069 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCCCC ZINC001234510155 818869824 /nfs/dbraw/zinc/86/98/24/818869824.db2.gz VJQHFBWZYBPCNW-KRWDZBQOSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234529524 818876094 /nfs/dbraw/zinc/87/60/94/818876094.db2.gz ZPUHTLHYJAFKKQ-WMZOPIPTSA-N 0 3 290.451 3.232 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc(N3CCCC3)c2)C1 ZINC001235092774 819000136 /nfs/dbraw/zinc/00/01/36/819000136.db2.gz OHBWOMYOFHWLNG-INIZCTEOSA-N 0 3 283.419 3.412 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001235794508 819169689 /nfs/dbraw/zinc/16/96/89/819169689.db2.gz CYHFBPIKKGGVFS-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN(C)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236901179 819634858 /nfs/dbraw/zinc/63/48/58/819634858.db2.gz NMWPMMGNAOWXBY-UHFFFAOYSA-N 0 3 261.756 3.144 20 30 CGEDHN C#CC1CCN(Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001237089926 819664106 /nfs/dbraw/zinc/66/41/06/819664106.db2.gz SQTRGSMIZTUEDD-UHFFFAOYSA-N 0 3 286.394 3.271 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN3CC(C)(C#N)C3)cc21 ZINC001237881191 819868792 /nfs/dbraw/zinc/86/87/92/819868792.db2.gz NLFIVDGPCZXDCW-UHFFFAOYSA-N 0 3 281.403 3.033 20 30 CGEDHN COc1cc(C)c(C)cc1CN1CCC[C@@H](C#N)CC1 ZINC001238767568 820112380 /nfs/dbraw/zinc/11/23/80/820112380.db2.gz QXMRGZVISUITNS-OAHLLOKOSA-N 0 3 272.392 3.438 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1ccc(OCC#N)cc1 ZINC001243595302 823460881 /nfs/dbraw/zinc/46/08/81/823460881.db2.gz STNAQQBGLMLXGY-DHZHZOJOSA-N 0 3 279.343 3.183 20 30 CGEDHN CCCCCCCCCOC(=O)N1CC[C@H]1NC ZINC001239335527 820280850 /nfs/dbraw/zinc/28/08/50/820280850.db2.gz PYJVUASVWZPSEG-ZDUSSCGKSA-N 0 3 256.390 3.125 20 30 CGEDHN N#CCc1cccc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240384739 821009879 /nfs/dbraw/zinc/00/98/79/821009879.db2.gz QWNZKESPCCNCQW-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN CN1CCC=C(c2ccc3cc(C#N)sc3c2)C1 ZINC001241570226 821956386 /nfs/dbraw/zinc/95/63/86/821956386.db2.gz YDGKYQHLUFIJNC-UHFFFAOYSA-N 0 3 254.358 3.492 20 30 CGEDHN N#Cc1ncccc1-c1cncc(CN2CCCCC2)c1 ZINC001242312712 822948198 /nfs/dbraw/zinc/94/81/98/822948198.db2.gz WOJGHFDUNRXHEU-UHFFFAOYSA-N 0 3 278.359 3.001 20 30 CGEDHN COc1ccc(CNCc2cccc(OCC#N)c2)cc1C ZINC001339017293 936344598 /nfs/dbraw/zinc/34/45/98/936344598.db2.gz KRXPBOZAVCPXIK-UHFFFAOYSA-N 0 3 296.370 3.196 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)Cc1ccccc1Cl ZINC001340607514 936408896 /nfs/dbraw/zinc/40/88/96/936408896.db2.gz YBPNJWHBSCJCNF-IUODEOHRSA-N 0 3 294.826 3.071 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCCC)c(F)c1 ZINC001340867991 936416824 /nfs/dbraw/zinc/41/68/24/936416824.db2.gz RJEKNLXOXNZJLX-AWEZNQCLSA-N 0 3 294.370 3.237 20 30 CGEDHN C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@@H](N)CCCC#N)c21 ZINC001341004938 936424097 /nfs/dbraw/zinc/42/40/97/936424097.db2.gz MAUCWSYSVKQXSV-JSGCOSHPSA-N 0 3 299.418 3.431 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccccc3)nc21 ZINC001341887339 936454043 /nfs/dbraw/zinc/45/40/43/936454043.db2.gz XPGZUIXOEZZTJD-CQSZACIVSA-N 0 3 289.338 3.290 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC001342738940 936477757 /nfs/dbraw/zinc/47/77/57/936477757.db2.gz OJKRBDCICYLTJT-LSDHHAIUSA-N 0 3 291.439 3.017 20 30 CGEDHN C[C@@H](COc1ccccc1F)NCc1csc(C#N)c1 ZINC001342780479 936479241 /nfs/dbraw/zinc/47/92/41/936479241.db2.gz WYOSHAZVKOAKKW-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC001343612628 936507714 /nfs/dbraw/zinc/50/77/14/936507714.db2.gz KGCZSYFFYGCPBR-QWHCGFSZSA-N 0 3 284.831 3.076 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCC=CCCC1)c1ccccn1 ZINC001343578970 936507025 /nfs/dbraw/zinc/50/70/25/936507025.db2.gz XKCVDIUFBYEXSV-KGLIPLIRSA-N 0 3 254.333 3.394 20 30 CGEDHN CCC(C)(C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001344985566 936796216 /nfs/dbraw/zinc/79/62/16/936796216.db2.gz YRPQJDXFTLSAEH-JTQLQIEISA-N 0 3 266.291 3.362 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(C)CCCCCC1 ZINC001345647236 936819672 /nfs/dbraw/zinc/81/96/72/936819672.db2.gz TZUJLQASZJSGJR-CYBMUJFWSA-N 0 3 273.380 3.440 20 30 CGEDHN C=CCC[C@@H]1CCCN1C(=O)C[C@H](N)c1ccccc1 ZINC001345876015 936827836 /nfs/dbraw/zinc/82/78/36/936827836.db2.gz SGZNIJZOUFXCJT-CVEARBPZSA-N 0 3 272.392 3.034 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCCc1ccccc1 ZINC001346095935 936838078 /nfs/dbraw/zinc/83/80/78/936838078.db2.gz LQWGJXMTZBXJSD-INIZCTEOSA-N 0 3 295.386 3.492 20 30 CGEDHN C=C(C)CCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC001346822278 936862991 /nfs/dbraw/zinc/86/29/91/936862991.db2.gz ARCKMFHECOSSLO-UHFFFAOYSA-N 0 3 290.407 3.059 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1ncc(F)cc1F)C(C)(C)C ZINC001347993892 936906073 /nfs/dbraw/zinc/90/60/73/936906073.db2.gz PROJWOXEVDYXGR-WCBMZHEXSA-N 0 3 266.291 3.218 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccccc1 ZINC001353473708 937066808 /nfs/dbraw/zinc/06/68/08/937066808.db2.gz FDCNZEREHTZTFH-INIZCTEOSA-N 0 3 288.435 3.179 20 30 CGEDHN C=C(C)CCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC001354333261 937098451 /nfs/dbraw/zinc/09/84/51/937098451.db2.gz OLXPLGWEQNIJOL-UHFFFAOYSA-N 0 3 286.419 3.470 20 30 CGEDHN C=C1CC(C)(C(=O)NCCCN(C/C=C\Cl)C(C)C)C1 ZINC001481354824 926967459 /nfs/dbraw/zinc/96/74/59/926967459.db2.gz XYMAOILAWADQJO-ALCCZGGFSA-N 0 3 298.858 3.312 20 30 CGEDHN C=C[C@@H](CC(=O)N[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001481696431 927064264 /nfs/dbraw/zinc/06/42/64/927064264.db2.gz KJWIYVCZZIOEMC-WMZOPIPTSA-N 0 3 298.430 3.113 20 30 CGEDHN CC#CCNCCN(CC)C(=O)[C@H](C)CC1CCCCC1 ZINC001482955110 927383401 /nfs/dbraw/zinc/38/34/01/927383401.db2.gz FSIQBCGTCDRDMV-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC001357487025 937173097 /nfs/dbraw/zinc/17/30/97/937173097.db2.gz PAJMSXHLDNFCGD-CQSZACIVSA-N 0 3 290.407 3.446 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(C)CCCCC1 ZINC001483676090 927566836 /nfs/dbraw/zinc/56/68/36/927566836.db2.gz HWVRFCDKEGFJQJ-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001484044747 927667061 /nfs/dbraw/zinc/66/70/61/927667061.db2.gz LNFDKGXDSIWCCB-SFHVURJKSA-N 0 3 286.419 3.124 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001484173490 927685077 /nfs/dbraw/zinc/68/50/77/927685077.db2.gz KDUXFRIWJBAOIQ-SJLPKXTDSA-N 0 3 294.483 3.463 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001484715686 927742765 /nfs/dbraw/zinc/74/27/65/927742765.db2.gz VCADXGINFSDLHI-DEBLGDTFSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC(=C)C ZINC001485044507 927789616 /nfs/dbraw/zinc/78/96/16/927789616.db2.gz QRKUFCIXUZAUAH-IEBWSBKVSA-N 0 3 298.430 3.291 20 30 CGEDHN C#C[C@@H]1CCCCN1CCCOc1ccccc1C ZINC001473868401 937202306 /nfs/dbraw/zinc/20/23/06/937202306.db2.gz QMRMLOLDFURWFT-MRXNPFEDSA-N 0 3 257.377 3.252 20 30 CGEDHN CO[C@@H]1C[C@@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001559846440 937211044 /nfs/dbraw/zinc/21/10/44/937211044.db2.gz VLDKUAPVROEORH-HUUCEWRRSA-N 0 3 277.795 3.095 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCCC12CC2)C(C)C ZINC001486369263 928010295 /nfs/dbraw/zinc/01/02/95/928010295.db2.gz JMARBOQWKZZZOX-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H](CC)CCCC)CC1 ZINC001486501217 928031496 /nfs/dbraw/zinc/03/14/96/928031496.db2.gz BPLQSPQHYBSLMG-MRXNPFEDSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CCCC1 ZINC001488675092 928288353 /nfs/dbraw/zinc/28/83/53/928288353.db2.gz FEPDGSPPXOGOPZ-RDJZCZTQSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CC)CCCCC)[C@H]1C ZINC001489312547 928329905 /nfs/dbraw/zinc/32/99/05/928329905.db2.gz SBOYPLPDHVFIKG-IKGGRYGDSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@]1(C)CCC[C@H]1CC ZINC001320021582 928487739 /nfs/dbraw/zinc/48/77/39/928487739.db2.gz QVMDOHVKVIHOIN-WBVHZDCISA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)/C(F)=C\C1CCCCC1 ZINC001448872428 937377362 /nfs/dbraw/zinc/37/73/62/937377362.db2.gz JTTYQAKUKQGFOA-JQIJEIRASA-N 0 3 296.430 3.386 20 30 CGEDHN C=C1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001459453518 937488980 /nfs/dbraw/zinc/48/89/80/937488980.db2.gz HUBOBFKEDIXTGH-UHFFFAOYSA-N 0 3 281.302 3.203 20 30 CGEDHN C#CCOCCN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC001459781201 937499632 /nfs/dbraw/zinc/49/96/32/937499632.db2.gz PYTLASSSGONIAX-UHFFFAOYSA-N 0 3 269.388 3.042 20 30 CGEDHN C=CCC[C@@H]1CCCN1Cc1c(C)nn(C)c1Cl ZINC001460890424 937551087 /nfs/dbraw/zinc/55/10/87/937551087.db2.gz MPTKGQOYYKYQLN-GFCCVEGCSA-N 0 3 267.804 3.313 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CCCO4)CC3)c2c1 ZINC001140115156 931955786 /nfs/dbraw/zinc/95/57/86/931955786.db2.gz OMUOFKSOHFWHKD-UHFFFAOYSA-N 0 3 295.386 3.185 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(C2CC2)c(C2CC2)c1 ZINC001474217997 937844334 /nfs/dbraw/zinc/84/43/34/937844334.db2.gz RYPCUAKRYRESIU-OAHLLOKOSA-N 0 3 257.377 3.078 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2NCCF)CCCC1 ZINC001230386252 932567009 /nfs/dbraw/zinc/56/70/09/932567009.db2.gz MFXRABWOWKHJAX-HUUCEWRRSA-N 0 3 296.430 3.109 20 30 CGEDHN C#C[C@H](N[C@@H](C)Cc1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC001462125320 937619615 /nfs/dbraw/zinc/61/96/15/937619615.db2.gz NFAQSBJNSABXSZ-KNXALSJPSA-N 0 3 295.785 3.181 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C=C)c1ccccc1 ZINC001316608568 932748129 /nfs/dbraw/zinc/74/81/29/932748129.db2.gz HFQQRMDHFARIQQ-MSOLQXFVSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C=C2CCCCC2)C1 ZINC001316628211 932751780 /nfs/dbraw/zinc/75/17/80/932751780.db2.gz FNFUCBYWYLVMGD-SHTZXODSSA-N 0 3 296.842 3.114 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCCCC(C)(C)C)C1 ZINC001491930569 932798641 /nfs/dbraw/zinc/79/86/41/932798641.db2.gz ZSXRIMVVIXYHJY-MRXNPFEDSA-N 0 3 292.467 3.149 20 30 CGEDHN N#CCCCN[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001307619646 932977115 /nfs/dbraw/zinc/97/71/15/932977115.db2.gz QSEUHDUSNRGZNW-CQSZACIVSA-N 0 3 250.292 3.309 20 30 CGEDHN N#CCCCN[C@H](c1ccc(F)cc1F)C1CC1 ZINC001307619645 932977189 /nfs/dbraw/zinc/97/71/89/932977189.db2.gz QSEUHDUSNRGZNW-AWEZNQCLSA-N 0 3 250.292 3.309 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2cc(C#N)ccn2)C12CCC2 ZINC001307932934 933022420 /nfs/dbraw/zinc/02/24/20/933022420.db2.gz GEWDDJCYKYSJTM-HZPDHXFCSA-N 0 3 299.418 3.169 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)NCCCC2CCCCC2)C1 ZINC001307960630 933027466 /nfs/dbraw/zinc/02/74/66/933027466.db2.gz ATVDHWLJFJAZSX-KRWDZBQOSA-N 0 3 292.467 3.361 20 30 CGEDHN C#CCN(CCCC#N)[C@H]1CCCc2ccccc21 ZINC001308104307 933049776 /nfs/dbraw/zinc/04/97/76/933049776.db2.gz QGQWTXWFGRRESZ-KRWDZBQOSA-N 0 3 252.361 3.303 20 30 CGEDHN C=CC[C@H]1CCN1CCOc1ccccc1OCC ZINC001308141074 933056912 /nfs/dbraw/zinc/05/69/12/933056912.db2.gz PFTKEKBSUJADDT-AWEZNQCLSA-N 0 3 261.365 3.115 20 30 CGEDHN Clc1ccc(C#CCNC2([C@H]3CCCO3)CCC2)cc1 ZINC001308159158 933060876 /nfs/dbraw/zinc/06/08/76/933060876.db2.gz AWOCFQFHSABTRW-MRXNPFEDSA-N 0 3 289.806 3.383 20 30 CGEDHN C=CCC1(O)CN(CC2CCC(C(C)(C)C)CC2)C1 ZINC001462662888 937657649 /nfs/dbraw/zinc/65/76/49/937657649.db2.gz NHFRGPMJFPOCTQ-UHFFFAOYSA-N 0 3 265.441 3.462 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1c(F)cccc1F)C2 ZINC001308497705 933120825 /nfs/dbraw/zinc/12/08/25/933120825.db2.gz GTZXKPLCQQGIPK-CQSZACIVSA-N 0 3 284.309 3.093 20 30 CGEDHN C#CCC1(O)CCN(C/C=C\c2cc(C)c(C)cc2C)CC1 ZINC001308915905 933203892 /nfs/dbraw/zinc/20/38/92/933203892.db2.gz QXCYUJCQMRFGTI-SREVYHEPSA-N 0 3 297.442 3.475 20 30 CGEDHN C=CCC1(O)CN(CC2CCC(C(C)C)CC2)C1 ZINC001308979663 933220195 /nfs/dbraw/zinc/22/01/95/933220195.db2.gz GQNIWLRJHXRCTH-UHFFFAOYSA-N 0 3 251.414 3.072 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)/C=C(/C)CC ZINC001317422287 933591540 /nfs/dbraw/zinc/59/15/40/933591540.db2.gz SBBMZXJZLXCNBS-BMOGTNHUSA-N 0 3 298.858 3.456 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001467727612 937721374 /nfs/dbraw/zinc/72/13/74/937721374.db2.gz MYEGIAVLUSQUIL-HOTGVXAUSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@](C)(CC)CCC ZINC001320068282 933993511 /nfs/dbraw/zinc/99/35/11/933993511.db2.gz YHEKONSFHNEMPK-MRXNPFEDSA-N 0 3 268.445 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001320429913 934047102 /nfs/dbraw/zinc/04/71/02/934047102.db2.gz ILIYITPYVXYKNM-LSDHHAIUSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CCc2c1cccc2Br ZINC001320592952 934071955 /nfs/dbraw/zinc/07/19/55/934071955.db2.gz VDDKGMJWBXWAJI-IINYFYTJSA-N 0 3 296.208 3.227 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC)c1ccc(F)cc1 ZINC001320899295 934119169 /nfs/dbraw/zinc/11/91/69/934119169.db2.gz SFNHSRNXDOOIOC-INIZCTEOSA-N 0 3 290.382 3.067 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CCc2c1cccc2Cl ZINC001321242438 934167847 /nfs/dbraw/zinc/16/78/47/934167847.db2.gz XVHKITAMMDDOFB-QMTHXVAHSA-N 0 3 251.757 3.118 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC001321242130 934168150 /nfs/dbraw/zinc/16/81/50/934168150.db2.gz UQKCLVRIJNMUHB-CMPLNLGQSA-N 0 3 289.297 3.437 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CC[C@@H](OC)C1 ZINC001321769198 934211010 /nfs/dbraw/zinc/21/10/10/934211010.db2.gz DOGRIPMBBPBLEK-CHWSQXEVSA-N 0 3 293.794 3.009 20 30 CGEDHN C=CCO[C@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC001323965730 934445085 /nfs/dbraw/zinc/44/50/85/934445085.db2.gz PQEAEVNDSZUFSA-NQHOJNORSA-N 0 3 279.330 3.255 20 30 CGEDHN C=C[C@H](COC)NC/C(C)=C\c1ccccc1OC(F)F ZINC001324159419 934467305 /nfs/dbraw/zinc/46/73/05/934467305.db2.gz XUPIUEQOPXHXIL-FWLQQBITSA-N 0 3 297.345 3.482 20 30 CGEDHN CC1(C)CC(CN2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC001473241015 937798598 /nfs/dbraw/zinc/79/85/98/937798598.db2.gz SBPFYDBEVPBDHR-GOSISDBHSA-N 0 3 297.446 3.305 20 30 CGEDHN CC#CCN(C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001473509356 937809610 /nfs/dbraw/zinc/80/96/10/937809610.db2.gz CGJIBWKCOWISIL-DZGCQCFKSA-N 0 3 297.320 3.124 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC001325619304 934920231 /nfs/dbraw/zinc/92/02/31/934920231.db2.gz BRKAFYCMDKYZOP-ZYHUDNBSSA-N 0 3 269.772 3.200 20 30 CGEDHN C=CCCC(=O)NCc1ccc2c(c1)CN(CCC=C)C2 ZINC001327683351 935077138 /nfs/dbraw/zinc/07/71/38/935077138.db2.gz ZOKYNSWFDQUPCB-UHFFFAOYSA-N 0 3 284.403 3.161 20 30 CGEDHN C#CCOc1ccc(CNCc2cccn2C2CC2)cc1 ZINC001327951778 935101747 /nfs/dbraw/zinc/10/17/47/935101747.db2.gz LMSWXSCRWHTRDU-UHFFFAOYSA-N 0 3 280.371 3.125 20 30 CGEDHN C=CCO[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001328109038 935117577 /nfs/dbraw/zinc/11/75/77/935117577.db2.gz WQRDKKHSXDZQCJ-QWNKOJSDSA-N 0 3 286.419 3.043 20 30 CGEDHN CCOc1ccc(CN(C)[C@@H](C)CCC#N)cc1OC ZINC001328597969 935150828 /nfs/dbraw/zinc/15/08/28/935150828.db2.gz KNKLZCYMKLRYBC-ZDUSSCGKSA-N 0 3 276.380 3.218 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001329937076 935255712 /nfs/dbraw/zinc/25/57/12/935255712.db2.gz KSDOFIQJJXBRNQ-RDJZCZTQSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cc3c(cccc3C)[nH]2)C1 ZINC001330252963 935281476 /nfs/dbraw/zinc/28/14/76/935281476.db2.gz MTSXFRUDEVAHGM-OAHLLOKOSA-N 0 3 270.376 3.253 20 30 CGEDHN C=CCC[C@H](COc1ccccc1)NCc1cnc(C)o1 ZINC001330832049 935327209 /nfs/dbraw/zinc/32/72/09/935327209.db2.gz ORULCNUUVZRUGI-OAHLLOKOSA-N 0 3 286.375 3.486 20 30 CGEDHN N#CCC1(CN2CCC(Nc3ccccc3)CC2)CC1 ZINC001333021447 935504911 /nfs/dbraw/zinc/50/49/11/935504911.db2.gz FTDZGIRWIDSGEI-UHFFFAOYSA-N 0 3 269.392 3.257 20 30 CGEDHN C=CC[C@@H]1CCCN(CN2C[C@@H](c3ccccc3)CC2=O)C1 ZINC001333711317 936058398 /nfs/dbraw/zinc/05/83/98/936058398.db2.gz ZFXPGGFLMCVMSG-AEFFLSMTSA-N 0 3 298.430 3.248 20 30 CGEDHN C=CCC[C@@H](NCc1[nH]nc2c1COCC2)c1ccccc1 ZINC001335614752 936155212 /nfs/dbraw/zinc/15/52/12/936155212.db2.gz ZJTKOBQYGYKKJP-MRXNPFEDSA-N 0 3 297.402 3.280 20 30 CGEDHN CC[C@H](CNc1cc(C(C)=O)ccc1C#N)N1CCCC1 ZINC001336478912 936195607 /nfs/dbraw/zinc/19/56/07/936195607.db2.gz LQPBQRWZCGRBFJ-MRXNPFEDSA-N 0 3 285.391 3.047 20 30 CGEDHN C=CCCC[C@H](NCC(=O)NCC1CC1)c1ccccc1 ZINC001473759473 937820721 /nfs/dbraw/zinc/82/07/21/937820721.db2.gz HOANHLSIEDEDCH-KRWDZBQOSA-N 0 3 286.419 3.200 20 30 CGEDHN C#Cc1cccc(CNCc2cnc(-c3ccccc3)[nH]2)c1 ZINC001474178784 937842817 /nfs/dbraw/zinc/84/28/17/937842817.db2.gz SXQHGMYSEGTOKS-UHFFFAOYSA-N 0 3 287.366 3.348 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001479245696 937918199 /nfs/dbraw/zinc/91/81/99/937918199.db2.gz PLWKVXIERMMRDM-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C[C@@H](C(=O)N[C@@H]1CCN(CC=C(C)C)C1)c1ccccc1 ZINC001479971525 937930249 /nfs/dbraw/zinc/93/02/49/937930249.db2.gz BNXXXIUHBLAGRA-QZTJIDSGSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C1CCC(C(=O)N(C)CCNCc2ccsc2)CC1 ZINC001493681475 937950911 /nfs/dbraw/zinc/95/09/11/937950911.db2.gz KFFUOFYBPWOIPX-UHFFFAOYSA-N 0 3 292.448 3.043 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)CCC(C)C)c1ccccc1 ZINC001493880709 937951639 /nfs/dbraw/zinc/95/16/39/937951639.db2.gz PHFZDYYIARFSPR-QGZVFWFLSA-N 0 3 288.435 3.446 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](CC)CCCC)C1 ZINC001494800208 937956385 /nfs/dbraw/zinc/95/63/85/937956385.db2.gz BROXEFIVVSPSDA-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001494870007 937957019 /nfs/dbraw/zinc/95/70/19/937957019.db2.gz XTAYXCPJMOCTQM-WMZOPIPTSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@@H](C)C2)CCCC1 ZINC001495949850 937960769 /nfs/dbraw/zinc/96/07/69/937960769.db2.gz SQPRZRILVXJYCR-TZMCWYRMSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC001496673125 937963737 /nfs/dbraw/zinc/96/37/37/937963737.db2.gz XVIUPJZONWZAHT-CQSZACIVSA-N 0 3 292.398 3.243 20 30 CGEDHN C=CCC1(C(=O)N(C)CCN(C)CC=C(C)C)CCC1 ZINC001496774750 937964064 /nfs/dbraw/zinc/96/40/64/937964064.db2.gz IPXQMZFTUISKMI-UHFFFAOYSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCN1[C@H](C)c1ccccc1C ZINC001498944695 937971602 /nfs/dbraw/zinc/97/16/02/937971602.db2.gz QBUSPMDOHSVTGI-HZPDHXFCSA-N 0 3 286.419 3.213 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001498962283 937971687 /nfs/dbraw/zinc/97/16/87/937971687.db2.gz VVVQNSCSKQOQPR-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001499030268 937971904 /nfs/dbraw/zinc/97/19/04/937971904.db2.gz MJXYALUJRIKPKU-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C1CCCCC1)C(C)C ZINC001507744640 937996735 /nfs/dbraw/zinc/99/67/35/937996735.db2.gz HNYDEEKZOBGVAU-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN N#CC(C(=O)C=Cc1ccccc1F)c1cccc(F)n1 ZINC001516710596 938009455 /nfs/dbraw/zinc/00/94/55/938009455.db2.gz NOUKKYJXRFSTGE-LAUAKBEESA-N 0 3 284.265 3.249 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001526587265 938056436 /nfs/dbraw/zinc/05/64/36/938056436.db2.gz MNIOXVVXIDZGRN-GRYCIOLGSA-N 0 3 291.782 3.076 20 30 CGEDHN Cc1ncsc1CCCN1CCC[C@@H](CC#N)C1 ZINC001559991608 938241197 /nfs/dbraw/zinc/24/11/97/938241197.db2.gz ASCNXTOXOOMWDG-ZDUSSCGKSA-N 0 3 263.410 3.010 20 30 CGEDHN C=CCCC1(CNCc2nc(CO)cs2)CCCC1 ZINC001560531823 938261916 /nfs/dbraw/zinc/26/19/16/938261916.db2.gz OVRMBSBDKCFTKI-UHFFFAOYSA-N 0 3 280.437 3.252 20 30 CGEDHN C#CCC1(NCc2cc(OC)cc3c2O[C@H](C)C3)CCC1 ZINC001560598914 938264824 /nfs/dbraw/zinc/26/48/24/938264824.db2.gz SVGDJLVFIUVTTB-CYBMUJFWSA-N 0 3 285.387 3.054 20 30 CGEDHN CC1(C#N)CCN(CC2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC001560706694 938271663 /nfs/dbraw/zinc/27/16/63/938271663.db2.gz PJVNMGNQXGJJFC-UHFFFAOYSA-N 0 3 298.386 3.073 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCC)CCCC1 ZINC001565834935 960835859 /nfs/dbraw/zinc/83/58/59/960835859.db2.gz DVAGKJWODMPEHS-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001566749005 961012642 /nfs/dbraw/zinc/01/26/42/961012642.db2.gz YMNKRBQASFZPNE-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC1CCCC1 ZINC001566916874 961058285 /nfs/dbraw/zinc/05/82/85/961058285.db2.gz SSTUUZOOWPBWSN-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001567201829 961137458 /nfs/dbraw/zinc/13/74/58/961137458.db2.gz JAUBXNXHRZNILE-HZPDHXFCSA-N 0 3 292.467 3.005 20 30 CGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@@H](CC)CCCC)C1 ZINC001567406794 961319002 /nfs/dbraw/zinc/31/90/02/961319002.db2.gz XBVGWYVLNUFRTM-DLBZAZTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCCCCC)CC2 ZINC001568253858 961527986 /nfs/dbraw/zinc/52/79/86/961527986.db2.gz RLUBFXPGEPZZOF-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)[C@@H](C)CC)CC2 ZINC001568253026 961529715 /nfs/dbraw/zinc/52/97/15/961529715.db2.gz VSKRAMIACFRIHQ-JKSUJKDBSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1ccccc1CC ZINC001569109494 961689343 /nfs/dbraw/zinc/68/93/43/961689343.db2.gz SZODCKLYLGCDSJ-OAHLLOKOSA-N 0 3 288.435 3.152 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001569347299 961736984 /nfs/dbraw/zinc/73/69/84/961736984.db2.gz YUXCGXPHKZFNNG-RYUDHWBXSA-N 0 3 296.798 3.092 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C=C1CCC1 ZINC001569353584 961741390 /nfs/dbraw/zinc/74/13/90/961741390.db2.gz GSLRVILTHNGXGR-MRXNPFEDSA-N 0 3 278.440 3.258 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2ccsc2)CC1 ZINC001569414416 961759767 /nfs/dbraw/zinc/75/97/67/961759767.db2.gz LJHHSPNJSAMIJR-ZDUSSCGKSA-N 0 3 292.448 3.089 20 30 CGEDHN C#CCN1CCC(C)(CNC(=O)[C@@](C)(CC)CCC)CC1 ZINC001569706428 961826468 /nfs/dbraw/zinc/82/64/68/961826468.db2.gz KZZLOFXYLUUCHD-SFHVURJKSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001570006711 961880049 /nfs/dbraw/zinc/88/00/49/961880049.db2.gz SDYKBERCVQRVKT-CQSZACIVSA-N 0 3 298.858 3.147 20 30 CGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001570500585 961976528 /nfs/dbraw/zinc/97/65/28/961976528.db2.gz WAVDANGOWVIFIM-ACAGNQJTSA-N 0 3 298.858 3.266 20 30 CGEDHN C=CCCC(=O)NC[C@H]1c2ccccc2CCN1C(C)C ZINC001570477097 961979711 /nfs/dbraw/zinc/97/97/11/961979711.db2.gz OPDAAIYNYNHPPB-KRWDZBQOSA-N 0 3 286.419 3.077 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)C2CN(CC=C(C)C)C2)CCC1 ZINC001570853940 962102531 /nfs/dbraw/zinc/10/25/31/962102531.db2.gz LJRSMEHWYZPZSZ-HNNXBMFYSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CN(CC(=C)C)CC2(C)C)CCC1 ZINC001570905219 962108782 /nfs/dbraw/zinc/10/87/82/962108782.db2.gz PMLKFITZEQTCHK-HNNXBMFYSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC001571236050 962125929 /nfs/dbraw/zinc/12/59/29/962125929.db2.gz DWVJPKLDUSUVJQ-XEHSLEBBSA-N 0 3 286.847 3.216 20 30 CGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C(C)(CC)CC)CC1 ZINC001571645983 962202057 /nfs/dbraw/zinc/20/20/57/962202057.db2.gz BKKAESDDRXSRNV-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573335124 962246895 /nfs/dbraw/zinc/24/68/95/962246895.db2.gz LYSHSYPWPWPGDX-UHFFFAOYSA-N 0 3 299.422 3.433 20 30 CGEDHN C=CCCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573335124 962246912 /nfs/dbraw/zinc/24/69/12/962246912.db2.gz LYSHSYPWPWPGDX-UHFFFAOYSA-N 0 3 299.422 3.433 20 30 CGEDHN C=CCCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573335124 962246928 /nfs/dbraw/zinc/24/69/28/962246928.db2.gz LYSHSYPWPWPGDX-UHFFFAOYSA-N 0 3 299.422 3.433 20 30 CGEDHN C=CCCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573335124 962246941 /nfs/dbraw/zinc/24/69/41/962246941.db2.gz LYSHSYPWPWPGDX-UHFFFAOYSA-N 0 3 299.422 3.433 20 30 CGEDHN C=C(C)COc1cccc(NC(=O)[C@@H](N)CC(=C)Cl)c1 ZINC001574845376 962320137 /nfs/dbraw/zinc/32/01/37/962320137.db2.gz XVMZANLBFZAZHU-AWEZNQCLSA-N 0 3 294.782 3.050 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(F)cc1)C(C)C ZINC001574850229 962326165 /nfs/dbraw/zinc/32/61/65/962326165.db2.gz WUIVLVXBJDLUBM-CQSZACIVSA-N 0 3 298.789 3.033 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCC1(C)CCC(C)(C)CC1 ZINC001574903693 962326944 /nfs/dbraw/zinc/32/69/44/962326944.db2.gz UYMIIRHOVOJHGD-CQSZACIVSA-N 0 3 280.456 3.393 20 30 CGEDHN CC#CC[C@H](N)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC001574962074 962327209 /nfs/dbraw/zinc/32/72/09/962327209.db2.gz FFXZWOPHPVFJSR-SFHVURJKSA-N 0 3 298.430 3.042 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC001574903232 962335382 /nfs/dbraw/zinc/33/53/82/962335382.db2.gz NCYNTTAQRCROSB-IAGOWNOFSA-N 0 3 288.435 3.226 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)Cc1ccc(Cl)cc1 ZINC001574901795 962335794 /nfs/dbraw/zinc/33/57/94/962335794.db2.gz RDQJFLPFSYQLHG-OAHLLOKOSA-N 0 3 294.826 3.372 20 30 CGEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1C1CC1 ZINC001579625953 962645654 /nfs/dbraw/zinc/64/56/54/962645654.db2.gz FJMGZFHGKMNDOD-MRXNPFEDSA-N 0 3 285.391 3.222 20 30 CGEDHN Cc1cc(F)c(C#N)cc1NC(=O)C[C@H](N)c1ccccc1 ZINC001579609506 962647004 /nfs/dbraw/zinc/64/70/04/962647004.db2.gz ZBXLWMKKRJRXHT-HNNXBMFYSA-N 0 3 297.333 3.034 20 30 CGEDHN C=C1CCC(C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC001583139090 962774388 /nfs/dbraw/zinc/77/43/88/962774388.db2.gz GHPWEYBCTRVFBQ-UHFFFAOYSA-N 0 3 290.451 3.210 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588594910 963283694 /nfs/dbraw/zinc/28/36/94/963283694.db2.gz VSYQLGUHCYJWCN-BLLLJJGKSA-N 0 3 297.406 3.188 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588594910 963283703 /nfs/dbraw/zinc/28/37/03/963283703.db2.gz VSYQLGUHCYJWCN-BLLLJJGKSA-N 0 3 297.406 3.188 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(C2CC2)CC1 ZINC000590429462 346845794 /nfs/dbraw/zinc/84/57/94/346845794.db2.gz OEMPGQKDCAKZCW-SFHVURJKSA-N 0 3 296.414 3.408 20 30 CGEDHN C=CC[C@H](CO)CN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651747776 398280814 /nfs/dbraw/zinc/28/08/14/398280814.db2.gz PSIIYEXUWOJWMM-GWCFXTLKSA-N 0 3 283.774 3.241 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cn3cccc(C)c3n2)C1 ZINC000651752588 398282484 /nfs/dbraw/zinc/28/24/84/398282484.db2.gz LXFXIEHMHXZOKF-HUUCEWRRSA-N 0 3 269.392 3.477 20 30 CGEDHN N#CC1(CCN2CCC[C@@H](n3ccnc3)C2)CCCCC1 ZINC000591013263 346894088 /nfs/dbraw/zinc/89/40/88/346894088.db2.gz OVEYAIZKALGYON-MRXNPFEDSA-N 0 3 286.423 3.384 20 30 CGEDHN Cc1cn2c(nc(C)c2CNCC(C)(C)CC#N)s1 ZINC000590970630 346891985 /nfs/dbraw/zinc/89/19/85/346891985.db2.gz GUUFVEXJDUKIDQ-UHFFFAOYSA-N 0 3 276.409 3.042 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590971941 346892466 /nfs/dbraw/zinc/89/24/66/346892466.db2.gz YCXUYTZKTQMCDC-WBVHZDCISA-N 0 3 284.403 3.099 20 30 CGEDHN C=CCC[C@H](CC)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623233292 349769394 /nfs/dbraw/zinc/76/93/94/349769394.db2.gz UYODZZPEMOWBDC-HOCLYGCPSA-N 0 3 272.392 3.034 20 30 CGEDHN COC1([C@H](C)NCc2ccc(C#N)cc2F)CCCC1 ZINC000591531491 346928489 /nfs/dbraw/zinc/92/84/89/346928489.db2.gz BWZFQAPGCXRZER-LBPRGKRZSA-N 0 3 276.355 3.135 20 30 CGEDHN CC(C)CC[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765889 346934997 /nfs/dbraw/zinc/93/49/97/346934997.db2.gz OTOWJLIRZTUZIX-AWEZNQCLSA-N 0 3 280.799 3.098 20 30 CGEDHN C=C[C@H](C)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000623445607 349811462 /nfs/dbraw/zinc/81/14/62/349811462.db2.gz YEEQVUDOSOYKCD-VIFPVBQESA-N 0 3 259.271 3.378 20 30 CGEDHN C=CCCC[C@H](C)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000623485114 349818373 /nfs/dbraw/zinc/81/83/73/349818373.db2.gz OSXSPENGENZUPG-ZDUSSCGKSA-N 0 3 288.370 3.241 20 30 CGEDHN Cc1c(C)c(C)c(CN2CC[C@](O)(CC#N)C2)c(C)c1C ZINC000592149627 346966950 /nfs/dbraw/zinc/96/69/50/346966950.db2.gz SJRDJMVGBCJIMS-GOSISDBHSA-N 0 3 286.419 3.079 20 30 CGEDHN C[C@H](CCC#N)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592159577 346967568 /nfs/dbraw/zinc/96/75/68/346967568.db2.gz OZUDJLJEHFDEIF-CYBMUJFWSA-N 0 3 280.412 3.122 20 30 CGEDHN C=C(CC)CN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158397 346967791 /nfs/dbraw/zinc/96/77/91/346967791.db2.gz CKRANYMZHJYRGU-UHFFFAOYSA-N 0 3 267.413 3.396 20 30 CGEDHN CC(C)(C)OC(=O)C1(C)CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000592160672 346967907 /nfs/dbraw/zinc/96/79/07/346967907.db2.gz UOVVHZBVVSZPNW-UONOGXRCSA-N 0 3 292.423 3.122 20 30 CGEDHN C=C(C)[C@@H](CO)S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000592354517 346977997 /nfs/dbraw/zinc/97/79/97/346977997.db2.gz JSSDZUYTPQHOOC-IAGOWNOFSA-N 0 3 291.460 3.321 20 30 CGEDHN N#C[C@@H]1CC[C@H](NC2(c3cccc(F)c3)CCC2)C1 ZINC000592393143 346982183 /nfs/dbraw/zinc/98/21/83/346982183.db2.gz FRFLZOMDMQGVHW-DOMZBBRYSA-N 0 3 258.340 3.487 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(CO)cc1 ZINC000592393203 346982343 /nfs/dbraw/zinc/98/23/43/346982343.db2.gz UUCTYGXBLNBPLO-IBGZPJMESA-N 0 3 292.382 3.218 20 30 CGEDHN CC(C)=CCC[C@@H](C)CCN1CC[C@](O)(CC#N)C1 ZINC000592521814 346995628 /nfs/dbraw/zinc/99/56/28/346995628.db2.gz CHESCNQSPZSSPB-HZPDHXFCSA-N 0 3 264.413 3.109 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC2(CC2(F)F)CC1 ZINC000593072665 347035951 /nfs/dbraw/zinc/03/59/51/347035951.db2.gz KPIROKQUSCQKMJ-UHFFFAOYSA-N 0 3 292.329 3.188 20 30 CGEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCc2ccc(F)cc21 ZINC000593119175 347042241 /nfs/dbraw/zinc/04/22/41/347042241.db2.gz YHWMKDURZXTXIJ-XJKCOSOUSA-N 0 3 272.367 3.480 20 30 CGEDHN C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCc2ccc(F)cc21 ZINC000593119173 347042357 /nfs/dbraw/zinc/04/23/57/347042357.db2.gz YHWMKDURZXTXIJ-IOASZLSFSA-N 0 3 272.367 3.480 20 30 CGEDHN COc1ccc([C@H](CCC#N)NCC2(OC)CCC2)cc1 ZINC000573669429 334956166 /nfs/dbraw/zinc/95/61/66/334956166.db2.gz ZSNILZPLPYVUBH-INIZCTEOSA-N 0 3 288.391 3.199 20 30 CGEDHN C=C(C)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000053134575 345115280 /nfs/dbraw/zinc/11/52/80/345115280.db2.gz LILYBXJCXJYUGY-ZDUSSCGKSA-N 0 3 251.395 3.305 20 30 CGEDHN C=CCOc1ccc(CN(C)CCc2ccccn2)cc1 ZINC000072589661 345413609 /nfs/dbraw/zinc/41/36/09/345413609.db2.gz HWVRJOYKFMBLJO-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](OC)C(C)C)cc1OC ZINC000072924578 345421571 /nfs/dbraw/zinc/42/15/71/345421571.db2.gz JOLZDYCYZHBRKD-KRWDZBQOSA-N 0 3 293.407 3.021 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(Cc2c(C)noc2C)CC1 ZINC000091514219 345818155 /nfs/dbraw/zinc/81/81/55/345818155.db2.gz DSISVQDRXOQIHU-CQSZACIVSA-N 0 3 291.439 3.154 20 30 CGEDHN C=CCCC[C@H](C)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000091593856 345818758 /nfs/dbraw/zinc/81/87/58/345818758.db2.gz LGECYZXPUSKIAO-WCQYABFASA-N 0 3 279.346 3.366 20 30 CGEDHN N#Cc1ccncc1NC[C@H]1CCCN1Cc1ccccc1 ZINC000094159536 345897424 /nfs/dbraw/zinc/89/74/24/345897424.db2.gz DIGFOMGIXXKVMZ-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCc2ccccc2CC1 ZINC000153633484 346145900 /nfs/dbraw/zinc/14/59/00/346145900.db2.gz JHBWDYQDHCSFBX-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN CCCN(CCCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611356 346209413 /nfs/dbraw/zinc/20/94/13/346209413.db2.gz CLOZNYAXTJUJCV-CQSZACIVSA-N 0 3 295.427 3.012 20 30 CGEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1cn[nH]c1 ZINC000274140372 346413542 /nfs/dbraw/zinc/41/35/42/346413542.db2.gz XDRMRTAOYKJHPW-LBPRGKRZSA-N 0 3 268.364 3.062 20 30 CGEDHN Cc1cccc(CCN[C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000280186961 346417568 /nfs/dbraw/zinc/41/75/68/346417568.db2.gz RZULWXXMUKGBDB-CYBMUJFWSA-N 0 3 283.350 3.294 20 30 CGEDHN C=CCc1cc(CN2CC[C@@H](SC)C2)cc(OC)c1O ZINC000295017160 346433656 /nfs/dbraw/zinc/43/36/56/346433656.db2.gz KEZCRXMSOKVEAX-CQSZACIVSA-N 0 3 293.432 3.067 20 30 CGEDHN C[C@@H](NCC1(O)CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000305791384 346450377 /nfs/dbraw/zinc/45/03/77/346450377.db2.gz DAZSRIVJSFKXLX-CYBMUJFWSA-N 0 3 290.382 3.433 20 30 CGEDHN COC[C@H](CC(C)(C)C)NCc1ccc(C#N)cc1 ZINC000593590014 347092628 /nfs/dbraw/zinc/09/26/28/347092628.db2.gz WVYYWGANTQXGDL-HNNXBMFYSA-N 0 3 260.381 3.099 20 30 CGEDHN COC[C@@H](CC(C)(C)C)NCc1cccc(C#N)c1 ZINC000593589503 347092680 /nfs/dbraw/zinc/09/26/80/347092680.db2.gz VIKYEZBUIZWHAN-OAHLLOKOSA-N 0 3 260.381 3.099 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC2(CCC2)CC1 ZINC000308743288 346467890 /nfs/dbraw/zinc/46/78/90/346467890.db2.gz NPPNAELPKBAHJU-UHFFFAOYSA-N 0 3 270.376 3.203 20 30 CGEDHN N#Cc1ccccc1OCCN1CCc2ccccc2CC1 ZINC000315844948 346483675 /nfs/dbraw/zinc/48/36/75/346483675.db2.gz WFZOMCPWYYAXTH-UHFFFAOYSA-N 0 3 292.382 3.038 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000334524367 346494670 /nfs/dbraw/zinc/49/46/70/346494670.db2.gz JKFLFZRPEIGCAF-YUMQZZPRSA-N 0 3 271.147 3.330 20 30 CGEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCCC2)cc1 ZINC000593653616 347100270 /nfs/dbraw/zinc/10/02/70/347100270.db2.gz SKMXQROYSGSJIO-AWEZNQCLSA-N 0 3 272.392 3.300 20 30 CGEDHN N#CC[C@H]1CCCN(CCSc2ccccc2)C1 ZINC000397792503 346584915 /nfs/dbraw/zinc/58/49/15/346584915.db2.gz ZUHLRTVRCNPSFX-CQSZACIVSA-N 0 3 260.406 3.404 20 30 CGEDHN Cn1cc(CNCC(C)(C)CC#N)c(C2CCCCC2)n1 ZINC000459734575 346624913 /nfs/dbraw/zinc/62/49/13/346624913.db2.gz RUTJCYXXIVEEEA-UHFFFAOYSA-N 0 3 288.439 3.497 20 30 CGEDHN C[C@@H](CCC#N)CN1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000585727843 346727868 /nfs/dbraw/zinc/72/78/68/346727868.db2.gz XIXDPHHBBCXCND-GXTWGEPZSA-N 0 3 288.395 3.066 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)CCCCCC#N)c1 ZINC000588660327 346764818 /nfs/dbraw/zinc/76/48/18/346764818.db2.gz CZWXDBOKNYSDLG-UHFFFAOYSA-N 0 3 287.407 3.469 20 30 CGEDHN CN(Cc1ccc(C#N)cn1)[C@H]1CCCc2ccccc21 ZINC000593936588 347119792 /nfs/dbraw/zinc/11/97/92/347119792.db2.gz DUAXWXVOYZMQTG-SFHVURJKSA-N 0 3 277.371 3.463 20 30 CGEDHN CCCN(CCN1CCCCCC1)C(=O)CCCCC#N ZINC000594030767 347139915 /nfs/dbraw/zinc/13/99/15/347139915.db2.gz UTHRDCFUMJCKCE-UHFFFAOYSA-N 0 3 293.455 3.185 20 30 CGEDHN CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594434812 347174757 /nfs/dbraw/zinc/17/47/57/347174757.db2.gz UEIZYCPPUBOKOS-HOTGVXAUSA-N 0 3 293.455 3.263 20 30 CGEDHN CC(F)(F)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594456356 347176460 /nfs/dbraw/zinc/17/64/60/347176460.db2.gz MWIWYIJVLAHPRN-ZDUSSCGKSA-N 0 3 295.333 3.148 20 30 CGEDHN CCCCOCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594495508 347178430 /nfs/dbraw/zinc/17/84/30/347178430.db2.gz AUEABHWYFDWGAL-UHFFFAOYSA-N 0 3 274.408 3.394 20 30 CGEDHN CO[C@H](CNCc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594522154 347189045 /nfs/dbraw/zinc/18/90/45/347189045.db2.gz YJJRCHQLZFRMTF-MRXNPFEDSA-N 0 3 272.392 3.002 20 30 CGEDHN CC1(C)[C@H](CNCc2ccc(C#N)cc2F)C1(F)F ZINC000594992082 347251447 /nfs/dbraw/zinc/25/14/47/347251447.db2.gz OTROONZPNUTMPP-LBPRGKRZSA-N 0 3 268.282 3.078 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)s1)C1CCCCC1 ZINC000594998360 347252613 /nfs/dbraw/zinc/25/26/13/347252613.db2.gz XEOHDYDWOKMIFC-OAHLLOKOSA-N 0 3 278.421 3.305 20 30 CGEDHN N#CCCCCNCc1cccc(F)c1OC(F)F ZINC000594929076 347232459 /nfs/dbraw/zinc/23/24/59/347232459.db2.gz YFFNEISICJJBGX-UHFFFAOYSA-N 0 3 272.270 3.211 20 30 CGEDHN COc1ccc(C)cc1CNCCc1ccc(C#N)cc1 ZINC000594954200 347240325 /nfs/dbraw/zinc/24/03/25/347240325.db2.gz FGEDZDCUCBENPN-UHFFFAOYSA-N 0 3 280.371 3.208 20 30 CGEDHN C=CCCSCCNCc1ccccc1N(C)C ZINC000594960626 347241693 /nfs/dbraw/zinc/24/16/93/347241693.db2.gz WTFUQFKPSCQKHV-UHFFFAOYSA-N 0 3 264.438 3.152 20 30 CGEDHN N#Cc1ccc(CCN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000595288755 347286687 /nfs/dbraw/zinc/28/66/87/347286687.db2.gz LNWMIBFGASWMFC-CQSZACIVSA-N 0 3 282.309 3.375 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000595388456 347297623 /nfs/dbraw/zinc/29/76/23/347297623.db2.gz WBYXBJZSDVGISK-BHIYHBOVSA-N 0 3 295.430 3.200 20 30 CGEDHN C[C@H](c1ccccn1)N(C)CCc1ccc(C#N)cc1 ZINC000595393105 347298810 /nfs/dbraw/zinc/29/88/10/347298810.db2.gz WONPUGSCRIPKNX-CQSZACIVSA-N 0 3 265.360 3.189 20 30 CGEDHN C[C@H](CSCCF)NCc1ccc(C#N)c(Cl)c1 ZINC000595037914 347265780 /nfs/dbraw/zinc/26/57/80/347265780.db2.gz FLODZBGMRABWGW-SNVBAGLBSA-N 0 3 286.803 3.392 20 30 CGEDHN N#Cc1ccc(C2(N[C@H]3COC4(CCC4)C3)CCC2)cc1 ZINC000595048570 347269157 /nfs/dbraw/zinc/26/91/57/347269157.db2.gz WQCXOGNFOZLYOM-MRXNPFEDSA-N 0 3 282.387 3.239 20 30 CGEDHN C[C@H](NC[C@@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055069 347271096 /nfs/dbraw/zinc/27/10/96/347271096.db2.gz ZXOUOOJMRHQSBE-JSGCOSHPSA-N 0 3 289.398 3.221 20 30 CGEDHN C[C@H](CC1CCOCC1)NCC1(C#N)CCCCC1 ZINC000595090138 347280266 /nfs/dbraw/zinc/28/02/66/347280266.db2.gz DBJODJSUEDJMCP-CQSZACIVSA-N 0 3 264.413 3.255 20 30 CGEDHN CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000595093566 347281922 /nfs/dbraw/zinc/28/19/22/347281922.db2.gz CCVSECHWQZJNAL-MSOLQXFVSA-N 0 3 284.403 3.340 20 30 CGEDHN Cc1cc(C)cc(OCCN2CCC[C@@H](CC#N)C2)c1 ZINC000595612213 347327591 /nfs/dbraw/zinc/32/75/91/347327591.db2.gz TXFKBURNMLUUKR-INIZCTEOSA-N 0 3 272.392 3.308 20 30 CGEDHN CC(C)CSCCCN1CCC[C@H](CC#N)C1 ZINC000595621722 347329359 /nfs/dbraw/zinc/32/93/59/347329359.db2.gz XWWCFJTZPRASIJ-CQSZACIVSA-N 0 3 254.443 3.391 20 30 CGEDHN COC[C@H](NCCCC(C)(C)C#N)c1cccc(OC)c1 ZINC000595685392 347337538 /nfs/dbraw/zinc/33/75/38/347337538.db2.gz XRSMNRHLVAUENJ-INIZCTEOSA-N 0 3 290.407 3.302 20 30 CGEDHN C=C(CC)CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595765039 347352481 /nfs/dbraw/zinc/35/24/81/347352481.db2.gz NSMWYEUXYDZDLD-UHFFFAOYSA-N 0 3 270.376 3.120 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1F ZINC000595842451 347366052 /nfs/dbraw/zinc/36/60/52/347366052.db2.gz RATMCRWFRSYQKL-GASCZTMLSA-N 0 3 256.324 3.380 20 30 CGEDHN CN(CCC1(C#N)CCCCC1)CC1=CCSC1 ZINC000595888858 347371060 /nfs/dbraw/zinc/37/10/60/347371060.db2.gz PFGXTOQHGWIAEN-UHFFFAOYSA-N 0 3 264.438 3.456 20 30 CGEDHN C[C@H](NC[C@H](O)CCc1ccccc1)c1ccc(C#N)cc1 ZINC000273307113 192106890 /nfs/dbraw/zinc/10/68/90/192106890.db2.gz VTVATVBUBLTJJS-HNAYVOBHSA-N 0 3 294.398 3.203 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000597781170 347592368 /nfs/dbraw/zinc/59/23/68/347592368.db2.gz QHCOODRDYKRETC-FVQBIDKESA-N 0 3 270.376 3.331 20 30 CGEDHN Cc1ccc(C(C)(C)CNCc2ccc(C#N)c(F)c2)nc1 ZINC000598990916 347704148 /nfs/dbraw/zinc/70/41/48/347704148.db2.gz KSHIAZPNFBZWPN-UHFFFAOYSA-N 0 3 297.377 3.468 20 30 CGEDHN CCOc1cccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598602137 347670154 /nfs/dbraw/zinc/67/01/54/347670154.db2.gz LFRLFVJFQNWXAA-HIFRSBDPSA-N 0 3 290.407 3.037 20 30 CGEDHN N#CCc1cccc2c1CCN(CCOc1ccccc1)C2 ZINC000599685300 347766100 /nfs/dbraw/zinc/76/61/00/347766100.db2.gz DEEABDXVKOIDHM-UHFFFAOYSA-N 0 3 292.382 3.190 20 30 CGEDHN Cc1ccc(CN[C@H](CCO)c2ccccc2)cc1C#N ZINC000599349271 347738373 /nfs/dbraw/zinc/73/83/73/347738373.db2.gz OAJXHQCCVREISF-GOSISDBHSA-N 0 3 280.371 3.080 20 30 CGEDHN Cc1ccsc1[C@H](CO)NCc1ccc(C)c(C#N)c1 ZINC000599380693 347740220 /nfs/dbraw/zinc/74/02/20/347740220.db2.gz FICFXNKOJSGYJX-HNNXBMFYSA-N 0 3 286.400 3.060 20 30 CGEDHN C=CCCC[C@@H](C)N(C)Cc1ccc(C(=O)OC)cn1 ZINC000599447307 347745227 /nfs/dbraw/zinc/74/52/27/347745227.db2.gz BNXVFQHWCNGWNP-CYBMUJFWSA-N 0 3 276.380 3.045 20 30 CGEDHN Cc1ccc(CN2CCC(OC3CCC3)CC2)cc1C#N ZINC000599438084 347745624 /nfs/dbraw/zinc/74/56/24/347745624.db2.gz CJPZUCLLGQCQDQ-UHFFFAOYSA-N 0 3 284.403 3.400 20 30 CGEDHN Cc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1C#N ZINC000599436372 347745675 /nfs/dbraw/zinc/74/56/75/347745675.db2.gz JOMUTICMDNTEKZ-MOPGFXCFSA-N 0 3 292.382 3.175 20 30 CGEDHN Cc1ccc(CN2CC[C@H](c3cccnc3)C2)cc1C#N ZINC000599454805 347747033 /nfs/dbraw/zinc/74/70/33/347747033.db2.gz CEDCLHLREYHWTM-KRWDZBQOSA-N 0 3 277.371 3.251 20 30 CGEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@@H](C)C1(F)F ZINC000599515378 347749822 /nfs/dbraw/zinc/74/98/22/347749822.db2.gz UCMDEAAAJBNXCC-CHWSQXEVSA-N 0 3 278.346 3.324 20 30 CGEDHN CC1(C)CCC(C)(C)N(Cc2ccc(C#N)cn2)C1 ZINC000599538527 347752389 /nfs/dbraw/zinc/75/23/89/347752389.db2.gz OCONJACKMLGXQD-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)C[C@H]2C[C@H]2C1 ZINC000600490810 347801927 /nfs/dbraw/zinc/80/19/27/347801927.db2.gz IQXOMOABBYLXMG-VXNCWWDNSA-N 0 3 296.414 3.311 20 30 CGEDHN Cc1[nH]c2ccc(F)cc2c1CCNC[C@H](C#N)CCC#N ZINC000600612745 347814324 /nfs/dbraw/zinc/81/43/24/347814324.db2.gz CDTYQSAIZDPRPR-ZDUSSCGKSA-N 0 3 298.365 3.191 20 30 CGEDHN Cc1ccc(-c2cccc([C@H]3CNCCO3)c2)c(C#N)c1 ZINC000600777164 347833629 /nfs/dbraw/zinc/83/36/29/347833629.db2.gz PMUKPDFWWAQXOH-GOSISDBHSA-N 0 3 278.355 3.195 20 30 CGEDHN C[C@@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)[C@@H](C)O1 ZINC000601148836 347875093 /nfs/dbraw/zinc/87/50/93/347875093.db2.gz AYYSXDZVYXIYOH-IOASZLSFSA-N 0 3 272.392 3.143 20 30 CGEDHN CC[C@H](N[C@H]1CCCn2nccc21)c1ccc(C#N)cc1 ZINC000601321291 347891895 /nfs/dbraw/zinc/89/18/95/347891895.db2.gz ODMZWKNIUISEDW-HOTGVXAUSA-N 0 3 280.375 3.331 20 30 CGEDHN COCCC1(CNCc2cccc(F)c2C#N)CCCC1 ZINC000602011595 347932555 /nfs/dbraw/zinc/93/25/55/347932555.db2.gz IAGOFLLNEJBIDQ-UHFFFAOYSA-N 0 3 290.382 3.384 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(CC2CCCCC2)CC1 ZINC000602437721 347957927 /nfs/dbraw/zinc/95/79/27/347957927.db2.gz JXAVHEJFXQXHTI-INIZCTEOSA-N 0 3 277.456 3.124 20 30 CGEDHN CC1CCC(N(Cc2cccc(C#N)n2)C2CC2)CC1 ZINC000602439504 347958033 /nfs/dbraw/zinc/95/80/33/347958033.db2.gz HFSIKYFPIXCAQU-UHFFFAOYSA-N 0 3 269.392 3.496 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(CC2CCCCC2)CC1 ZINC000602437723 347958043 /nfs/dbraw/zinc/95/80/43/347958043.db2.gz JXAVHEJFXQXHTI-MRXNPFEDSA-N 0 3 277.456 3.124 20 30 CGEDHN C[C@H](CCC#N)CN(C)Cc1ccc(Br)o1 ZINC000602438781 347958457 /nfs/dbraw/zinc/95/84/57/347958457.db2.gz AECBUQVEAVDKHM-SNVBAGLBSA-N 0 3 285.185 3.414 20 30 CGEDHN C[C@H](CCC#N)CN1CCOc2ccccc2[C@@H]1C ZINC000602446762 347959441 /nfs/dbraw/zinc/95/94/41/347959441.db2.gz AHXBFLLHLDACMH-KGLIPLIRSA-N 0 3 258.365 3.382 20 30 CGEDHN C[C@H](CN(C)Cc1cccc(C#N)n1)c1ccccc1 ZINC000602459870 347962035 /nfs/dbraw/zinc/96/20/35/347962035.db2.gz VPQSEZPAVVAPHH-CQSZACIVSA-N 0 3 265.360 3.189 20 30 CGEDHN CC(C)CC[C@@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602483757 347967126 /nfs/dbraw/zinc/96/71/26/347967126.db2.gz LLBGCTYCNZLNBF-INIZCTEOSA-N 0 3 257.381 3.354 20 30 CGEDHN Cc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccc1F ZINC000602506106 347971923 /nfs/dbraw/zinc/97/19/23/347971923.db2.gz HJQJIBFYVZLGGO-AWEZNQCLSA-N 0 3 290.382 3.323 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000602512796 347973557 /nfs/dbraw/zinc/97/35/57/347973557.db2.gz NGUWDRWIDADSFS-SOUVJXGZSA-N 0 3 269.392 3.402 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000602512791 347973647 /nfs/dbraw/zinc/97/36/47/347973647.db2.gz NGUWDRWIDADSFS-RBSFLKMASA-N 0 3 269.392 3.402 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](C)NCc1cccc(C#N)n1 ZINC000602565075 347983742 /nfs/dbraw/zinc/98/37/42/347983742.db2.gz PEEXWTJHJCQCHD-KBPBESRZSA-N 0 3 265.360 3.235 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCO[C@@H]1C ZINC000602775810 348027532 /nfs/dbraw/zinc/02/75/32/348027532.db2.gz BEZHQCOSSUWLDN-HIFRSBDPSA-N 0 3 252.402 3.063 20 30 CGEDHN CC(C)(CN1CCC(C)(C#N)CC1)Oc1ccccc1 ZINC000602609199 347992985 /nfs/dbraw/zinc/99/29/85/347992985.db2.gz WVUMDKSOUDJUTR-UHFFFAOYSA-N 0 3 272.392 3.470 20 30 CGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602782564 348028573 /nfs/dbraw/zinc/02/85/73/348028573.db2.gz CZNWXODFBUGOJT-AWEZNQCLSA-N 0 3 292.423 3.124 20 30 CGEDHN Cc1nc2ccccc2nc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000602680612 348008209 /nfs/dbraw/zinc/00/82/09/348008209.db2.gz PVPVKTYLJCXIRV-KBPBESRZSA-N 0 3 280.375 3.110 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602688329 348009687 /nfs/dbraw/zinc/00/96/87/348009687.db2.gz AZHWKFWNBOQWJG-DLBZAZTESA-N 0 3 285.435 3.133 20 30 CGEDHN C[C@H](CCC#N)CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000602691190 348009810 /nfs/dbraw/zinc/00/98/10/348009810.db2.gz DPBHHHSINHXBHF-DAXOMENPSA-N 0 3 292.810 3.388 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)n1)C1=CCCC1 ZINC000602688263 348009846 /nfs/dbraw/zinc/00/98/46/348009846.db2.gz QCNPINBDFPKUSD-UHFFFAOYSA-N 0 3 255.365 3.179 20 30 CGEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2c1CCOC2 ZINC000602760345 348024283 /nfs/dbraw/zinc/02/42/83/348024283.db2.gz QNAHMAMTCVWZLN-UHFFFAOYSA-N 0 3 292.382 3.263 20 30 CGEDHN COc1ccc([C@@H]2CCN(CC3(CC#N)CC3)C2)cc1 ZINC000602769889 348026631 /nfs/dbraw/zinc/02/66/31/348026631.db2.gz KVAFYTUDKGALPB-OAHLLOKOSA-N 0 3 270.376 3.178 20 30 CGEDHN CC(C)[C@@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602543373 347978914 /nfs/dbraw/zinc/97/89/14/347978914.db2.gz CGJRHJVWLLHVOR-KGLIPLIRSA-N 0 3 257.381 3.258 20 30 CGEDHN CC(C)N(CCc1nccs1)CC1(CC#N)CC1 ZINC000602796897 348030709 /nfs/dbraw/zinc/03/07/09/348030709.db2.gz APDGYTOEKQQNDO-UHFFFAOYSA-N 0 3 263.410 3.090 20 30 CGEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CC1(CC#N)CC1 ZINC000602807183 348032537 /nfs/dbraw/zinc/03/25/37/348032537.db2.gz QUMIKHNMXVWSFK-GHMZBOCLSA-N 0 3 260.303 3.343 20 30 CGEDHN CC[C@](C)(O)CN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602815394 348033376 /nfs/dbraw/zinc/03/33/76/348033376.db2.gz KRKJWOWZGQGWQT-KRWDZBQOSA-N 0 3 286.419 3.343 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)[C@@H]1OCCc2sccc21 ZINC000602843116 348036322 /nfs/dbraw/zinc/03/63/22/348036322.db2.gz ZFJIHRQODGYZQR-RISCZKNCSA-N 0 3 276.405 3.034 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC(CCF)CC1 ZINC000602951633 348047069 /nfs/dbraw/zinc/04/70/69/348047069.db2.gz WRYSKGONOBAEDO-UHFFFAOYSA-N 0 3 276.355 3.009 20 30 CGEDHN CN(CC1CCC(F)(F)CC1)[C@H]1CCC[C@H]1C#N ZINC000602981292 348051380 /nfs/dbraw/zinc/05/13/80/348051380.db2.gz AXKITHUWDGVQTC-STQMWFEESA-N 0 3 256.340 3.436 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H](C3CCC3)CC2)ccn1 ZINC000603000241 348053872 /nfs/dbraw/zinc/05/38/72/348053872.db2.gz YIRYFJMDHBGFBD-MRXNPFEDSA-N 0 3 269.392 3.355 20 30 CGEDHN C=CCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000605149705 348148680 /nfs/dbraw/zinc/14/86/80/348148680.db2.gz WMQIHWVXNVRLPI-UHFFFAOYSA-N 0 3 278.827 3.424 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1CCCC[C@@H]1CC ZINC000606902241 348206345 /nfs/dbraw/zinc/20/63/45/348206345.db2.gz FNZXIGNXLQBVEO-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN N#CC(C(=O)c1cnc2ccsc2c1)c1ccccn1 ZINC000608552878 348317262 /nfs/dbraw/zinc/31/72/62/348317262.db2.gz JKVHRUGJRAZGOT-NSHDSACASA-N 0 3 279.324 3.181 20 30 CGEDHN CCN(Cc1ccc(F)cc1C#N)[C@H]1CCOC(C)(C)C1 ZINC000351960677 219264435 /nfs/dbraw/zinc/26/44/35/219264435.db2.gz WWEXZHDPBOWGCW-INIZCTEOSA-N 0 3 290.382 3.477 20 30 CGEDHN C[C@H](NCc1ccc2[nH]cnc2c1)c1cccc(C#N)c1 ZINC000610345037 348376457 /nfs/dbraw/zinc/37/64/57/348376457.db2.gz QMZLTOQGJNAGEF-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN C[C@H](NCc1ccc2nc[nH]c2c1)c1cccc(C#N)c1 ZINC000610345037 348376458 /nfs/dbraw/zinc/37/64/58/348376458.db2.gz QMZLTOQGJNAGEF-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610422384 348382393 /nfs/dbraw/zinc/38/23/93/348382393.db2.gz QOHQJDTZNXBZAX-OCCSQVGLSA-N 0 3 281.359 3.034 20 30 CGEDHN CCCCN(C(=O)C(C)C#N)[C@@H](C)c1ccc(C)o1 ZINC000609920749 348357637 /nfs/dbraw/zinc/35/76/37/348357637.db2.gz GOGJCFAXFKSUJW-AAEUAGOBSA-N 0 3 262.353 3.437 20 30 CGEDHN CCCN(Cc1ccc(OC)cc1)Cc1ccnc(C#N)c1 ZINC000610991402 348414175 /nfs/dbraw/zinc/41/41/75/348414175.db2.gz IQVXRAQYPAPKJO-UHFFFAOYSA-N 0 3 295.386 3.374 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccnc(C#N)c1 ZINC000610993189 348415187 /nfs/dbraw/zinc/41/51/87/348415187.db2.gz GONDKDSSWZQFJF-CZUORRHYSA-N 0 3 295.361 3.470 20 30 CGEDHN COc1ccc(CN2C3CCCC2CCC3)cc1C#N ZINC000610993772 348415993 /nfs/dbraw/zinc/41/59/93/348415993.db2.gz IERVKNUUFHIFEF-UHFFFAOYSA-N 0 3 270.376 3.474 20 30 CGEDHN CC[C@@H](NCc1ccnc(C#N)c1)c1ccc(OC)cc1 ZINC000611376931 348442356 /nfs/dbraw/zinc/44/23/56/348442356.db2.gz PUVNDGJPGGGRQE-QGZVFWFLSA-N 0 3 281.359 3.203 20 30 CGEDHN COC(=O)c1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611388783 348443405 /nfs/dbraw/zinc/44/34/05/348443405.db2.gz SPGOQBPURLSTHS-CYBMUJFWSA-N 0 3 294.354 3.196 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394343 348446444 /nfs/dbraw/zinc/44/64/44/348446444.db2.gz DCLLRCSZGZEDJR-QGZVFWFLSA-N 0 3 270.376 3.118 20 30 CGEDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000612090067 348493055 /nfs/dbraw/zinc/49/30/55/348493055.db2.gz TWHYDSAYZFJUNH-GOSISDBHSA-N 0 3 294.402 3.132 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000614166444 348653791 /nfs/dbraw/zinc/65/37/91/348653791.db2.gz IXBUJZRQQAOIBX-CQSZACIVSA-N 0 3 272.392 3.099 20 30 CGEDHN C[C@@H](Cc1ccccc1)CN1CCC[C@@](C)(C#N)C1 ZINC000614247867 348662377 /nfs/dbraw/zinc/66/23/77/348662377.db2.gz MIGCHBHKLLXBLL-RDJZCZTQSA-N 0 3 256.393 3.491 20 30 CGEDHN CCN(C)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000616475734 348824383 /nfs/dbraw/zinc/82/43/83/348824383.db2.gz DCGMIACZDWEHFY-AWEZNQCLSA-N 0 3 294.402 3.260 20 30 CGEDHN CCn1ccc(CN(C)Cc2ccc(C#N)cc2C)c1 ZINC000616785217 348877474 /nfs/dbraw/zinc/87/74/74/348877474.db2.gz CLTXRLNXTIFWII-UHFFFAOYSA-N 0 3 267.376 3.320 20 30 CGEDHN Cc1nc(CCN[C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358440329 233133137 /nfs/dbraw/zinc/13/31/37/233133137.db2.gz IZYOANRRLCTZSA-SNVBAGLBSA-N 0 3 289.379 3.356 20 30 CGEDHN CC(C)n1cc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000618568483 349107171 /nfs/dbraw/zinc/10/71/71/349107171.db2.gz WRRSODCWNOMTDM-YDHLFZDLSA-N 0 3 260.385 3.197 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H](Cn2cccn2)c2ccccc2)C1 ZINC000618569162 349108221 /nfs/dbraw/zinc/10/82/21/349108221.db2.gz NDQPUBKIUFMUFC-BPQIPLTHSA-N 0 3 294.402 3.296 20 30 CGEDHN Cc1cnc([C@@H](NC[C@H](C)CCC#N)C2CC2)s1 ZINC000618887958 349175515 /nfs/dbraw/zinc/17/55/15/349175515.db2.gz JWZMDYOKCJGAKB-MFKMUULPSA-N 0 3 263.410 3.432 20 30 CGEDHN C[C@@H]1C[C@H](C)N1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000619431650 349249839 /nfs/dbraw/zinc/24/98/39/349249839.db2.gz UKXAHXJOUJJZCY-GASCZTMLSA-N 0 3 294.402 3.446 20 30 CGEDHN CCC[C@@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619720749 349279027 /nfs/dbraw/zinc/27/90/27/349279027.db2.gz TXHFYCLMUJMUPY-RHSMWYFYSA-N 0 3 289.398 3.197 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1Cl ZINC000619754742 349281979 /nfs/dbraw/zinc/28/19/79/349281979.db2.gz JPUNPBVWXVJCIU-FZMZJTMJSA-N 0 3 273.767 3.384 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000620858738 349430494 /nfs/dbraw/zinc/43/04/94/349430494.db2.gz PTHXAIIJEASEPN-CQSZACIVSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000625535956 350182508 /nfs/dbraw/zinc/18/25/08/350182508.db2.gz YAUITCWTTZPRMC-NVXWUHKLSA-N 0 3 290.451 3.208 20 30 CGEDHN Cc1cccc(C)c1[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000359703519 233360553 /nfs/dbraw/zinc/36/05/53/233360553.db2.gz BIGYMPNQYTWBKT-CQSZACIVSA-N 0 3 267.376 3.364 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000628405732 350529536 /nfs/dbraw/zinc/52/95/36/350529536.db2.gz SRIMPXNRLIWVPS-OAHLLOKOSA-N 0 3 271.408 3.080 20 30 CGEDHN C=CCCOc1ccccc1-c1nc2c(s1)CNCC2 ZINC000629737074 350758934 /nfs/dbraw/zinc/75/89/34/350758934.db2.gz ZTMYDSBWKLUCMG-UHFFFAOYSA-N 0 3 286.400 3.411 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cc(C)no1 ZINC000631158958 350973616 /nfs/dbraw/zinc/97/36/16/350973616.db2.gz LEGAAVLGMQHZQQ-HNNXBMFYSA-N 0 3 256.349 3.260 20 30 CGEDHN CN(C)CCOc1ccc(NCc2cccc(C#N)c2)cc1 ZINC000119680542 186843821 /nfs/dbraw/zinc/84/38/21/186843821.db2.gz ZYGRBWVMTMPMQQ-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN Cn1cc(CN2CCC23CCC3)c(-c2ccc(C#N)cc2)n1 ZINC000336504790 213380180 /nfs/dbraw/zinc/38/01/80/213380180.db2.gz IJLYCLPTOYGXAX-UHFFFAOYSA-N 0 3 292.386 3.087 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]3CCC[C@@H]32)ccc1F ZINC000121530016 186979214 /nfs/dbraw/zinc/97/92/14/186979214.db2.gz LCAKPKWGOHANEK-BBRMVZONSA-N 0 3 258.340 3.462 20 30 CGEDHN CCSc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000291776838 198089214 /nfs/dbraw/zinc/08/92/14/198089214.db2.gz UJUVTAYSUPEJLH-UHFFFAOYSA-N 0 3 285.416 3.299 20 30 CGEDHN CSC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000292120423 198170324 /nfs/dbraw/zinc/17/03/24/198170324.db2.gz AJHIBRUFNPILSN-ZDUSSCGKSA-N 0 3 278.396 3.272 20 30 CGEDHN CC(C)(NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000292268627 198225507 /nfs/dbraw/zinc/22/55/07/198225507.db2.gz ZGFXKVKQSPKWLV-QGZVFWFLSA-N 0 3 298.361 3.256 20 30 CGEDHN C=C(C)CNCc1ccc(OC)c(Br)c1 ZINC000153385422 188079718 /nfs/dbraw/zinc/07/97/18/188079718.db2.gz VXOGZKIZHWDHQT-UHFFFAOYSA-N 0 3 270.170 3.123 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000292388451 198269360 /nfs/dbraw/zinc/26/93/60/198269360.db2.gz KFPDHDOEKBALHU-OAHLLOKOSA-N 0 3 260.406 3.133 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000154759086 188159972 /nfs/dbraw/zinc/15/99/72/188159972.db2.gz DBDHZAJONWWTCW-UHFFFAOYSA-N 0 3 298.386 3.287 20 30 CGEDHN CSC[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000292474303 198302098 /nfs/dbraw/zinc/30/20/98/198302098.db2.gz RPQXQPFLJOCPAM-HNNXBMFYSA-N 0 3 290.432 3.012 20 30 CGEDHN CCN(CCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000157569997 188324515 /nfs/dbraw/zinc/32/45/15/188324515.db2.gz OIEWKMOMCZVNMH-AWEZNQCLSA-N 0 3 288.391 3.088 20 30 CGEDHN CCN(CCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000157569849 188324816 /nfs/dbraw/zinc/32/48/16/188324816.db2.gz OIEWKMOMCZVNMH-CQSZACIVSA-N 0 3 288.391 3.088 20 30 CGEDHN N#Cc1c(F)cccc1CN1CCC[C@H]1C1CCOCC1 ZINC000336420678 213278497 /nfs/dbraw/zinc/27/84/97/213278497.db2.gz OFCZPLICSDMEKX-KRWDZBQOSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@H](N[C@@H]1CCCSC1)c1ccc(C#N)cc1F ZINC000336376894 213230719 /nfs/dbraw/zinc/23/07/19/213230719.db2.gz BRSSQQXLIWQKLB-CMPLNLGQSA-N 0 3 264.369 3.244 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ccncn2)CC1 ZINC000411829576 235084055 /nfs/dbraw/zinc/08/40/55/235084055.db2.gz UUMACUPYJRWMLL-CQSZACIVSA-N 0 3 292.386 3.289 20 30 CGEDHN C[C@@H](NC[C@](C)(O)c1cccs1)c1cccc(C#N)c1 ZINC000271852783 191369148 /nfs/dbraw/zinc/36/91/48/191369148.db2.gz IVANBXBJSPPFGA-WBMJQRKESA-N 0 3 286.400 3.178 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCSC2)c(C(F)(F)F)c1 ZINC000352808186 283148645 /nfs/dbraw/zinc/14/86/45/283148645.db2.gz BOPCENHPIYCCAI-NSHDSACASA-N 0 3 286.322 3.172 20 30 CGEDHN N#Cc1ccc(N[C@H](CN2CCCC2)c2ccccc2)nc1 ZINC000013002531 283181050 /nfs/dbraw/zinc/18/10/50/283181050.db2.gz NOHFWHUMJZFQRZ-QGZVFWFLSA-N 0 3 292.386 3.202 20 30 CGEDHN CC(C)C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093338489 138345057 /nfs/dbraw/zinc/34/50/57/138345057.db2.gz YUGWVIWNPXGIGX-CQSZACIVSA-N 0 3 282.391 3.074 20 30 CGEDHN N#Cc1cnc(N[C@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000114709789 138365374 /nfs/dbraw/zinc/36/53/74/138365374.db2.gz JPJFVIWXRSIHKH-LBPRGKRZSA-N 0 3 290.798 3.035 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccccc1C#N ZINC000124224562 138374220 /nfs/dbraw/zinc/37/42/20/138374220.db2.gz QJUUGVVLUXMEMI-YOEHRIQHSA-N 0 3 272.392 3.074 20 30 CGEDHN CCN(Cc1ccnc(N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000298255565 200373114 /nfs/dbraw/zinc/37/31/14/200373114.db2.gz USNJNVSCWDGPLU-ZDUSSCGKSA-N 0 3 280.375 3.119 20 30 CGEDHN Cc1ccccc1OCCNCc1ccc(C#N)s1 ZINC000176953091 189016987 /nfs/dbraw/zinc/01/69/87/189016987.db2.gz JZBAQJNUKXOTHL-UHFFFAOYSA-N 0 3 272.373 3.097 20 30 CGEDHN CCCCN1CCCC[C@H]1CNc1snc(C)c1C#N ZINC000341843057 216122986 /nfs/dbraw/zinc/12/29/86/216122986.db2.gz LSFGLKKAZIZYFL-ZDUSSCGKSA-N 0 3 292.452 3.390 20 30 CGEDHN COCCN(CCC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000341872998 216133404 /nfs/dbraw/zinc/13/34/04/216133404.db2.gz QSXQZJSTKRBQAN-UHFFFAOYSA-N 0 3 274.408 3.443 20 30 CGEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000177763159 189067687 /nfs/dbraw/zinc/06/76/87/189067687.db2.gz SRDROCMGSOARSA-UHFFFAOYSA-N 0 3 292.398 3.072 20 30 CGEDHN CCC(CC)[C@H]1C[C@@H](NCc2ccc(C#N)o2)CCO1 ZINC000180375493 189252107 /nfs/dbraw/zinc/25/21/07/189252107.db2.gz FHCLNVMOXHPDEP-XJKSGUPXSA-N 0 3 276.380 3.225 20 30 CGEDHN CCC(CC)[C@@H]1C[C@H](NCc2ccc(C#N)o2)CCO1 ZINC000180375445 189252135 /nfs/dbraw/zinc/25/21/35/189252135.db2.gz FHCLNVMOXHPDEP-CJNGLKHVSA-N 0 3 276.380 3.225 20 30 CGEDHN CC(C)(C#N)CCN1CCCN(c2ccccc2)CC1 ZINC000119602540 370690246 /nfs/dbraw/zinc/69/02/46/370690246.db2.gz KWNVXEMBTSQLHU-UHFFFAOYSA-N 0 3 271.408 3.139 20 30 CGEDHN C[C@H](CN(C)Cc1ccc(C#N)s1)c1nccs1 ZINC000183263035 189352956 /nfs/dbraw/zinc/35/29/56/189352956.db2.gz ZDJBDTAIGHALRE-SNVBAGLBSA-N 0 3 277.418 3.312 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]2C2CCC2)ccc1F ZINC000119877623 370717690 /nfs/dbraw/zinc/71/76/90/370717690.db2.gz KMEVEGGFFAFMEL-MRXNPFEDSA-N 0 3 258.340 3.462 20 30 CGEDHN CC[C@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120546943 370779764 /nfs/dbraw/zinc/77/97/64/370779764.db2.gz PAVUTEMDQUKPMM-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN C=C1CCC(CNCc2nc(Br)c[nH]2)CC1 ZINC000724485903 800363115 /nfs/dbraw/zinc/36/31/15/800363115.db2.gz IGWJKEFUCSNVDE-UHFFFAOYSA-N 0 3 284.201 3.008 20 30 CGEDHN C=C(C)CN1CCC(OCCc2ccccc2)CC1 ZINC000125734281 370941469 /nfs/dbraw/zinc/94/14/69/370941469.db2.gz QFRCGGSYBWCDBI-UHFFFAOYSA-N 0 3 259.393 3.286 20 30 CGEDHN C=CCOc1ccccc1CNCCN1CCCCCC1 ZINC000040433247 369155331 /nfs/dbraw/zinc/15/53/31/369155331.db2.gz LQFADXQSBMPHIV-UHFFFAOYSA-N 0 3 288.435 3.217 20 30 CGEDHN N#Cc1c(Cl)cccc1NCCN1CCCCC1 ZINC000052904467 369473631 /nfs/dbraw/zinc/47/36/31/369473631.db2.gz RFWBWXHUYYJZFU-UHFFFAOYSA-N 0 3 263.772 3.109 20 30 CGEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386553 369516055 /nfs/dbraw/zinc/51/60/55/369516055.db2.gz QGHSUZUQWUMEQS-CZUORRHYSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000093359221 370117909 /nfs/dbraw/zinc/11/79/09/370117909.db2.gz FVQXYWUDQZMRNK-UHFFFAOYSA-N 0 3 271.408 3.080 20 30 CGEDHN C[C@H](c1cccc(O)c1)N(C)CCOc1ccc(C#N)cc1 ZINC000109780824 370364785 /nfs/dbraw/zinc/36/47/85/370364785.db2.gz NXYWIWNSSIQCQR-CQSZACIVSA-N 0 3 296.370 3.336 20 30 CGEDHN N#CCCCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716442 370347283 /nfs/dbraw/zinc/34/72/83/370347283.db2.gz ZLCDWLQHNXOKKQ-UHFFFAOYSA-N 0 3 283.375 3.095 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C)[C@H]1C ZINC000130453058 371034906 /nfs/dbraw/zinc/03/49/06/371034906.db2.gz HZZGQQGAAFHHTR-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCCN(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000133123484 371229342 /nfs/dbraw/zinc/22/93/42/371229342.db2.gz JWSIOUGIIZIWQZ-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN CCN(Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000133295598 371241693 /nfs/dbraw/zinc/24/16/93/371241693.db2.gz GGFPUCZGTWCNOL-UHFFFAOYSA-N 0 3 294.402 3.448 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](C(C)C)C1 ZINC000135398061 371422346 /nfs/dbraw/zinc/42/23/46/371422346.db2.gz SYNPEDOLVMLUSH-AWEZNQCLSA-N 0 3 258.365 3.045 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cncs1)C(C)C ZINC000152067937 371670020 /nfs/dbraw/zinc/67/00/20/371670020.db2.gz FPEWYWSYBGCTOW-LSDHHAIUSA-N 0 3 293.480 3.492 20 30 CGEDHN Cc1ccc([C@H](CNc2ccnc(C#N)c2)N2CCCC2)o1 ZINC000288049828 371728594 /nfs/dbraw/zinc/72/85/94/371728594.db2.gz ULHZBVMNDJTHFR-INIZCTEOSA-N 0 3 296.374 3.104 20 30 CGEDHN N#Cc1cc(CN[C@H]2CCCC[C@@H]2OC(F)F)ccc1F ZINC000337382516 214042213 /nfs/dbraw/zinc/04/22/13/214042213.db2.gz DPFHXIRRQKYLPT-KBPBESRZSA-N 0 3 298.308 3.337 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C2CC2)C1 ZINC000344064467 217034368 /nfs/dbraw/zinc/03/43/68/217034368.db2.gz OIJLKEREWPIFKA-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2)sc1C ZINC000155661859 371937747 /nfs/dbraw/zinc/93/77/47/371937747.db2.gz UENHYTRXJQECEG-LBPRGKRZSA-N 0 3 271.345 3.006 20 30 CGEDHN C[C@@H](NCCn1cnc2ccccc21)c1cccc(C#N)c1 ZINC000344104365 217051495 /nfs/dbraw/zinc/05/14/95/217051495.db2.gz JERXXWGYVICPAU-CQSZACIVSA-N 0 3 290.370 3.259 20 30 CGEDHN CCc1nc(CCNCc2cc(C#N)cs2)sc1C ZINC000344109548 217055342 /nfs/dbraw/zinc/05/53/42/217055342.db2.gz DUNZGWCSLULPKA-UHFFFAOYSA-N 0 3 291.445 3.279 20 30 CGEDHN CN(Cc1cc(C#N)ccc1F)C[C@H]1CC=CCC1 ZINC000156509713 371982730 /nfs/dbraw/zinc/98/27/30/371982730.db2.gz QCWVZJYRJLFTEU-ZDUSSCGKSA-N 0 3 258.340 3.485 20 30 CGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000290992462 372089705 /nfs/dbraw/zinc/08/97/05/372089705.db2.gz ABBBVHMLAQIYHF-MRXNPFEDSA-N 0 3 252.361 3.323 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(N2CCCC2)nc1 ZINC000158997257 372096469 /nfs/dbraw/zinc/09/64/69/372096469.db2.gz NSBZGOZUUPCXFS-UHFFFAOYSA-N 0 3 259.397 3.080 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000291047567 372104749 /nfs/dbraw/zinc/10/47/49/372104749.db2.gz ZQUPSFINIAGFFI-KRWDZBQOSA-N 0 3 297.402 3.203 20 30 CGEDHN C=CCN(CCOCC1CC1)Cc1ccc(OC)cc1 ZINC000159464081 372145635 /nfs/dbraw/zinc/14/56/35/372145635.db2.gz YDVVUWRTFILCKI-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN CO[C@@H](C)CN(CC#Cc1ccc(Cl)cc1)C(C)C ZINC000426519728 372161377 /nfs/dbraw/zinc/16/13/77/372161377.db2.gz CFFBXCUIAXQNMD-AWEZNQCLSA-N 0 3 279.811 3.437 20 30 CGEDHN CSC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000292516771 372194613 /nfs/dbraw/zinc/19/46/13/372194613.db2.gz WANAGTPNHVWWIG-OAHLLOKOSA-N 0 3 277.408 3.252 20 30 CGEDHN C=CCC[C@H](NC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000159928331 372194834 /nfs/dbraw/zinc/19/48/34/372194834.db2.gz BYEHYSORLVGUGF-STQMWFEESA-N 0 3 273.298 3.207 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)nc2)CN1Cc1ccccc1 ZINC000160946983 372291346 /nfs/dbraw/zinc/29/13/46/372291346.db2.gz CDJFPKIOTQYESY-RDTXWAMCSA-N 0 3 292.386 3.028 20 30 CGEDHN COc1ccc(C#N)cc1CN(C1CCC1)C1CCC1 ZINC000429135719 372316939 /nfs/dbraw/zinc/31/69/39/372316939.db2.gz UYCIVBPBUFRJML-UHFFFAOYSA-N 0 3 270.376 3.474 20 30 CGEDHN CS[C@@H](CNCc1ccc(C#N)o1)C(C)(C)C ZINC000344322383 217149907 /nfs/dbraw/zinc/14/99/07/217149907.db2.gz HAPKVZKBFARFHZ-LBPRGKRZSA-N 0 3 252.383 3.019 20 30 CGEDHN C[C@H]1CC[C@H](N(CC#Cc2ccc(Cl)cc2)CCO)C1 ZINC000429768523 372377884 /nfs/dbraw/zinc/37/78/84/372377884.db2.gz SREQQACFGPMPEB-YOEHRIQHSA-N 0 3 291.822 3.174 20 30 CGEDHN COc1ccc([C@@H](NCC2(CC#N)CC2)C2CC2)cc1 ZINC000430760472 372395723 /nfs/dbraw/zinc/39/57/23/372395723.db2.gz IZWXXZGNZWDEGB-INIZCTEOSA-N 0 3 270.376 3.430 20 30 CGEDHN C=CCC(C)(C)C[NH2+][C@H](c1cccs1)c1nnc[n-]1 ZINC000293739884 372466856 /nfs/dbraw/zinc/46/68/56/372466856.db2.gz PCDMRSOFOOBEKX-GFCCVEGCSA-N 0 3 276.409 3.148 20 30 CGEDHN C=CCC(C)(C)CN[C@H](c1cccs1)c1nnc[nH]1 ZINC000293739884 372466860 /nfs/dbraw/zinc/46/68/60/372466860.db2.gz PCDMRSOFOOBEKX-GFCCVEGCSA-N 0 3 276.409 3.148 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000432071622 372533548 /nfs/dbraw/zinc/53/35/48/372533548.db2.gz KUXOYXSUSRBUEM-HUUCEWRRSA-N 0 3 295.471 3.008 20 30 CGEDHN CN(C)[C@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000433355904 372597991 /nfs/dbraw/zinc/59/79/91/372597991.db2.gz QQQGRFGGQYCHGN-MRXNPFEDSA-N 0 3 299.418 3.022 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](SC)C2)cc1OC ZINC000295124260 372694281 /nfs/dbraw/zinc/69/42/81/372694281.db2.gz XBIUPYIMLVHDKQ-CQSZACIVSA-N 0 3 293.432 3.197 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000438175077 372903331 /nfs/dbraw/zinc/90/33/31/372903331.db2.gz OFNVZVYYTXYVSL-WBVHZDCISA-N 0 3 257.352 3.442 20 30 CGEDHN N#Cc1ccc2ncc(CN3CCCC4(CCCC4)C3)n2c1 ZINC000438360055 372940685 /nfs/dbraw/zinc/94/06/85/372940685.db2.gz UXNKABHIPYGNIH-UHFFFAOYSA-N 0 3 294.402 3.362 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2SCCc3ccccc32)o1 ZINC000344762124 217304217 /nfs/dbraw/zinc/30/42/17/217304217.db2.gz NMKNLWXYCRSCLE-INIZCTEOSA-N 0 3 284.384 3.271 20 30 CGEDHN CCOCc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442705161 373067183 /nfs/dbraw/zinc/06/71/83/373067183.db2.gz AROLEIHTHKFQDQ-CZUORRHYSA-N 0 3 258.365 3.005 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCOc2ccccc2C(F)(F)F)C1 ZINC000442861740 373107272 /nfs/dbraw/zinc/10/72/72/373107272.db2.gz YIARABUBVZJZFV-NWDGAFQWSA-N 0 3 298.308 3.366 20 30 CGEDHN CC(C)[C@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000444682024 373234887 /nfs/dbraw/zinc/23/48/87/373234887.db2.gz YETQPZUMHPOHKN-CQSZACIVSA-N 0 3 252.402 3.063 20 30 CGEDHN COc1cccc(O[C@H](C)CNCc2ccc(C#N)cc2)c1 ZINC000174587438 373340904 /nfs/dbraw/zinc/34/09/04/373340904.db2.gz SIHPPPCJAKFKTD-CQSZACIVSA-N 0 3 296.370 3.124 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000175099985 373408762 /nfs/dbraw/zinc/40/87/62/373408762.db2.gz LLDDXUCYMKYQLZ-AWEZNQCLSA-N 0 3 292.448 3.358 20 30 CGEDHN N#Cc1csc(CNC[C@H](c2ccccc2)C2CC2)n1 ZINC000353615709 220193536 /nfs/dbraw/zinc/19/35/36/220193536.db2.gz ADBXZGPZMKTYTF-OAHLLOKOSA-N 0 3 283.400 3.298 20 30 CGEDHN C=CCCCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175404327 373463324 /nfs/dbraw/zinc/46/33/24/373463324.db2.gz RRJFWVFZCDBFMF-FZKQIMNGSA-N 0 3 265.422 3.383 20 30 CGEDHN CCC[C@]1(COC)CCCN1Cc1cccc(C#N)c1F ZINC000447401936 373435194 /nfs/dbraw/zinc/43/51/94/373435194.db2.gz DQUOKXXOTWTZEU-QGZVFWFLSA-N 0 3 290.382 3.478 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000448774708 373640089 /nfs/dbraw/zinc/64/00/89/373640089.db2.gz MGBPMUCPALFZFW-ZBFHGGJFSA-N 0 3 286.419 3.150 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3)C2)s1 ZINC000176970459 373645613 /nfs/dbraw/zinc/64/56/13/373645613.db2.gz BEXJJCFGEYVWEK-AWEZNQCLSA-N 0 3 297.427 3.378 20 30 CGEDHN C[C@@H](CNc1ccc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000301153026 373677707 /nfs/dbraw/zinc/67/77/07/373677707.db2.gz QAGPEQMXBPQPIP-STQMWFEESA-N 0 3 275.371 3.230 20 30 CGEDHN CCc1ccc([C@@H](CNc2cccc(C#N)n2)N(C)C)cc1 ZINC000301274935 373725626 /nfs/dbraw/zinc/72/56/26/373725626.db2.gz LNVIKOUPNVGOPP-QGZVFWFLSA-N 0 3 294.402 3.230 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000301316676 373743071 /nfs/dbraw/zinc/74/30/71/373743071.db2.gz VJZOEIPMHFWMID-QGZVFWFLSA-N 0 3 289.419 3.026 20 30 CGEDHN C#CCOCCNc1c2ccccc2nc(C)c1CC ZINC000302172151 373824496 /nfs/dbraw/zinc/82/44/96/373824496.db2.gz QAEFGDXVWAPOMH-UHFFFAOYSA-N 0 3 268.360 3.167 20 30 CGEDHN C=C(CC)CNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000449734999 373860313 /nfs/dbraw/zinc/86/03/13/373860313.db2.gz SRVACLHSLRAQOG-QGZVFWFLSA-N 0 3 275.392 3.300 20 30 CGEDHN COC[C@H](Cc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000449735965 373863586 /nfs/dbraw/zinc/86/35/86/373863586.db2.gz TVUASGYQVXBDRN-KRWDZBQOSA-N 0 3 298.361 3.045 20 30 CGEDHN C=C(CC)CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000449737130 373864604 /nfs/dbraw/zinc/86/46/04/373864604.db2.gz XYZRGUJPIASNSN-UHFFFAOYSA-N 0 3 285.290 3.073 20 30 CGEDHN C=CCC[C@@H](NCC(=O)NCC1CCC1)c1ccccc1 ZINC000180050410 373959327 /nfs/dbraw/zinc/95/93/27/373959327.db2.gz WQTZLCFZEBOTLM-QGZVFWFLSA-N 0 3 286.419 3.200 20 30 CGEDHN CC(C)(C)C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000449778415 373906959 /nfs/dbraw/zinc/90/69/59/373906959.db2.gz SDZGOKRCKIUVRK-CQSZACIVSA-N 0 3 296.418 3.464 20 30 CGEDHN C[C@@H](c1ccccc1)[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000450229033 374010984 /nfs/dbraw/zinc/01/09/84/374010984.db2.gz VYNXEVFYTNFMGZ-HNAYVOBHSA-N 0 3 294.398 3.155 20 30 CGEDHN CC(C)[C@@H](O)C(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305810567 374114733 /nfs/dbraw/zinc/11/47/33/374114733.db2.gz JAHMQOZYOZMFOY-MLGOLLRUSA-N 0 3 292.398 3.391 20 30 CGEDHN CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305810561 374115488 /nfs/dbraw/zinc/11/54/88/374115488.db2.gz JAHMQOZYOZMFOY-BLLLJJGKSA-N 0 3 292.398 3.391 20 30 CGEDHN CC(C)C[C@@H](CCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305838376 374119452 /nfs/dbraw/zinc/11/94/52/374119452.db2.gz XWKRTVMTACQWSP-DZGCQCFKSA-N 0 3 292.398 3.393 20 30 CGEDHN N#CC1(CN2CCC[C@@H]2Cn2cnc3ccccc32)CCC1 ZINC000450625240 374166549 /nfs/dbraw/zinc/16/65/49/374166549.db2.gz PSBXCWCLUGRZRQ-OAHLLOKOSA-N 0 3 294.402 3.195 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450691765 374172494 /nfs/dbraw/zinc/17/24/94/374172494.db2.gz ALXJSQDXVYIJBX-VQIMIIECSA-N 0 3 299.414 3.475 20 30 CGEDHN C=C(CC)CN[C@@H](CO)c1cccc(Br)c1 ZINC000309539872 374188884 /nfs/dbraw/zinc/18/88/84/374188884.db2.gz GFVXVNNWIRSQAI-ZDUSSCGKSA-N 0 3 284.197 3.038 20 30 CGEDHN CC[C@@](C)(CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000453292587 374395450 /nfs/dbraw/zinc/39/54/50/374395450.db2.gz CQBCDLVQXRAEMK-ABAIWWIYSA-N 0 3 264.344 3.163 20 30 CGEDHN COc1ccccc1C[C@@H](NC[C@H](C#N)CCC#N)C(C)C ZINC000185871106 374758368 /nfs/dbraw/zinc/75/83/68/374758368.db2.gz FNETZASTWKBOMG-DOTOQJQBSA-N 0 3 299.418 3.295 20 30 CGEDHN C[C@H](NCc1cc(C#N)cs1)[C@H](c1ccccc1)N(C)C ZINC000185679341 374711861 /nfs/dbraw/zinc/71/18/61/374711861.db2.gz DNRXUFPELJPYPA-SUMWQHHRSA-N 0 3 299.443 3.401 20 30 CGEDHN COCc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185766702 374731545 /nfs/dbraw/zinc/73/15/45/374731545.db2.gz OBMBMURPNFRAAX-HZPDHXFCSA-N 0 3 258.365 3.005 20 30 CGEDHN Cc1cc(NC(=O)c2sccc2C#N)ccc1CN(C)C ZINC000458265216 374739438 /nfs/dbraw/zinc/73/94/38/374739438.db2.gz CNDSKMAICVOOFQ-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000185813197 374743235 /nfs/dbraw/zinc/74/32/35/374743235.db2.gz UYYPBGHCECNBHM-YDHLFZDLSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000186719247 374906210 /nfs/dbraw/zinc/90/62/10/374906210.db2.gz XQRSITWGOMWAMD-JQWIXIFHSA-N 0 3 289.297 3.173 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000467937473 374977061 /nfs/dbraw/zinc/97/70/61/374977061.db2.gz ICJYHPFLBQKVJM-GOSISDBHSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCC[C@@H](CCC)N1CCC[C@@H]1C(=O)OCC ZINC000468548867 374983099 /nfs/dbraw/zinc/98/30/99/374983099.db2.gz QPXSRWZDEVEDNS-ZIAGYGMSSA-N 0 3 253.386 3.149 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187204503 374987316 /nfs/dbraw/zinc/98/73/16/374987316.db2.gz WEFXZTVDNBDTEB-INMHGKMJSA-N 0 3 288.435 3.396 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000469624204 374990111 /nfs/dbraw/zinc/99/01/11/374990111.db2.gz YVYDBVMQXXPFBR-GIFSMMMISA-N 0 3 276.767 3.313 20 30 CGEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(C)C#N ZINC000469580367 374990299 /nfs/dbraw/zinc/99/02/99/374990299.db2.gz JNIGGUHDHVVZET-ZBFHGGJFSA-N 0 3 272.392 3.324 20 30 CGEDHN C=C(C)[C@@H](NC(=O)CN(C)CCC)c1ccc(F)c(F)c1 ZINC000478914868 375149781 /nfs/dbraw/zinc/14/97/81/375149781.db2.gz ZGDPBWLUQDMTAD-MRXNPFEDSA-N 0 3 296.361 3.040 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CCC(C)C ZINC000481742551 375165913 /nfs/dbraw/zinc/16/59/13/375165913.db2.gz LWKUTDDXROPQID-QGZVFWFLSA-N 0 3 291.435 3.480 20 30 CGEDHN C=CCN(CC(=O)N1CCCCC1)CC1CCCCC1 ZINC000484488598 375188613 /nfs/dbraw/zinc/18/86/13/375188613.db2.gz LGJFXUSSZZRDPL-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000335188886 375211370 /nfs/dbraw/zinc/21/13/70/375211370.db2.gz DQHDCHWBCWCVBO-MRVPVSSYSA-N 0 3 283.158 3.258 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000188569983 375233169 /nfs/dbraw/zinc/23/31/69/375233169.db2.gz WZUDRLLQXVITLL-YJBOKZPZSA-N 0 3 288.435 3.225 20 30 CGEDHN N#Cc1csc(CN2CC[C@H](c3cccnc3)C2)c1 ZINC000335442101 375297199 /nfs/dbraw/zinc/29/71/99/375297199.db2.gz HYXVYPCFTPWTSM-AWEZNQCLSA-N 0 3 269.373 3.004 20 30 CGEDHN CCCN(CCOCC(F)F)Cc1ccc(C#N)cc1 ZINC000188737469 375261826 /nfs/dbraw/zinc/26/18/26/375261826.db2.gz VYBQUYKEVRBUSP-UHFFFAOYSA-N 0 3 282.334 3.052 20 30 CGEDHN C=C(CC)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000494485533 375488124 /nfs/dbraw/zinc/48/81/24/375488124.db2.gz LGTBMAJAILXGJJ-KBPBESRZSA-N 0 3 282.428 3.188 20 30 CGEDHN C=C(CC)CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495627038 375499692 /nfs/dbraw/zinc/49/96/92/375499692.db2.gz TWBUWHXJOZNWTD-KGLIPLIRSA-N 0 3 282.428 3.330 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000498782180 375629422 /nfs/dbraw/zinc/62/94/22/375629422.db2.gz LYPNDTYWGGOOBO-NSHDSACASA-N 0 3 292.329 3.400 20 30 CGEDHN FC(F)O[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC000502525652 375647001 /nfs/dbraw/zinc/64/70/01/375647001.db2.gz COIULVBZRRWUPR-HUUCEWRRSA-N 0 3 279.330 3.178 20 30 CGEDHN Cc1cccc(C2(NC(=O)C(C)C#N)CCCC2)c1 ZINC000336281498 375770748 /nfs/dbraw/zinc/77/07/48/375770748.db2.gz IELHVGVJNJMISS-CYBMUJFWSA-N 0 3 256.349 3.040 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000336482161 375798187 /nfs/dbraw/zinc/79/81/87/375798187.db2.gz HUHSRDLRZGIYLX-HOCLYGCPSA-N 0 3 298.434 3.091 20 30 CGEDHN CC(C)(C)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000514738431 375805908 /nfs/dbraw/zinc/80/59/08/375805908.db2.gz IDMRNRQIIPLBMD-CQSZACIVSA-N 0 3 279.343 3.264 20 30 CGEDHN Cc1c([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cnn1C ZINC000193025541 375817199 /nfs/dbraw/zinc/81/71/99/375817199.db2.gz PMEKIUQTWMHBAT-QWHCGFSZSA-N 0 3 298.390 3.043 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000526986306 375890498 /nfs/dbraw/zinc/89/04/98/375890498.db2.gz KHZARZGKCMINMD-QKEWWQLBSA-N 0 3 262.319 3.493 20 30 CGEDHN C[C@@H](c1cccs1)N(C)CCCSCC#N ZINC000336661748 375897266 /nfs/dbraw/zinc/89/72/66/375897266.db2.gz CAYNQSITZMRWLD-NSHDSACASA-N 0 3 254.424 3.388 20 30 CGEDHN CCOc1ccc(CN(C)CCC(C)(C)C#N)cc1 ZINC000336803095 375954314 /nfs/dbraw/zinc/95/43/14/375954314.db2.gz XBEJOJHTTUWKQW-UHFFFAOYSA-N 0 3 260.381 3.457 20 30 CGEDHN CCO[C@@H](CNCc1cccc(C#N)c1)c1ccccc1 ZINC000194465974 376005854 /nfs/dbraw/zinc/00/58/54/376005854.db2.gz VFJCUSWOTQPWND-SFHVURJKSA-N 0 3 280.371 3.426 20 30 CGEDHN CCN(CCn1cc(C)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336847805 376009060 /nfs/dbraw/zinc/00/90/60/376009060.db2.gz YIASZJGOAQWEGZ-HNNXBMFYSA-N 0 3 282.391 3.146 20 30 CGEDHN C=CCN1CC[C@@H](N2CCCCC[C@@H]2c2ccccc2)C1=O ZINC000337147976 376101918 /nfs/dbraw/zinc/10/19/18/376101918.db2.gz ZSWKWFWIVWEINQ-QZTJIDSGSA-N 0 3 298.430 3.391 20 30 CGEDHN C=CCN(C[C@H](O)COc1ccc2ccccc2c1)C1CC1 ZINC000536742901 376128286 /nfs/dbraw/zinc/12/82/86/376128286.db2.gz DOXXOZMLOOOJEV-SFHVURJKSA-N 0 3 297.398 3.230 20 30 CGEDHN CCc1cc(OC)ccc1CNCC1(CC#N)CC1 ZINC000337263220 376174473 /nfs/dbraw/zinc/17/44/73/376174473.db2.gz RJGHHYIZILTDGX-UHFFFAOYSA-N 0 3 258.365 3.041 20 30 CGEDHN C=CCSCCNCc1cnc(C(C)(C)C)s1 ZINC000222054367 376227718 /nfs/dbraw/zinc/22/77/18/376227718.db2.gz KCKOFYBIBFCCGD-UHFFFAOYSA-N 0 3 270.467 3.449 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H](C)C1)C(C)C ZINC000539560425 376318464 /nfs/dbraw/zinc/31/84/64/376318464.db2.gz JHQFLULEUVFDNO-BRWVUGGUSA-N 0 3 292.467 3.237 20 30 CGEDHN CN(CCCOc1ccc(F)cc1)CCC(C)(C)C#N ZINC000539567587 376319112 /nfs/dbraw/zinc/31/91/12/376319112.db2.gz OEXKWIPDUNUJOH-UHFFFAOYSA-N 0 3 278.371 3.466 20 30 CGEDHN C[C@@H](NCCc1ccccc1O)c1ccc(C#N)c(F)c1 ZINC000539606451 376320502 /nfs/dbraw/zinc/32/05/02/376320502.db2.gz IEDUTDHFOBVYEW-GFCCVEGCSA-N 0 3 284.334 3.296 20 30 CGEDHN C=CCCN1CCc2cc(OCC)c(OCC)cc2C1 ZINC000338549951 376424128 /nfs/dbraw/zinc/42/41/28/376424128.db2.gz ZALKKKTYMZVCTI-UHFFFAOYSA-N 0 3 275.392 3.418 20 30 CGEDHN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000338380927 376357037 /nfs/dbraw/zinc/35/70/37/376357037.db2.gz PILLQEUYOFTWKE-VHSXEESVSA-N 0 3 256.271 3.407 20 30 CGEDHN C=C(C)COCCN[C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000540155799 376361322 /nfs/dbraw/zinc/36/13/22/376361322.db2.gz CJLGICKIVWSYKA-LRDDRELGSA-N 0 3 263.356 3.241 20 30 CGEDHN C=CCCOCCNCc1ccc(OC(C)C)c(OC)c1 ZINC000229879997 376474918 /nfs/dbraw/zinc/47/49/18/376474918.db2.gz PSWQMILAVRTAHV-UHFFFAOYSA-N 0 3 293.407 3.165 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1c1ccccc1C ZINC000338992230 376616856 /nfs/dbraw/zinc/61/68/56/376616856.db2.gz KFCABCAAESJGKK-SFHVURJKSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CCOc1cccc(CN[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000543242282 376621465 /nfs/dbraw/zinc/62/14/65/376621465.db2.gz JGOWMYDINBPQIX-QZTJIDSGSA-N 0 3 287.403 3.299 20 30 CGEDHN COc1cc(CN2CCC[C@H](C)CC2)ccc1C#N ZINC000234978622 376626563 /nfs/dbraw/zinc/62/65/63/376626563.db2.gz YVYCVURDNGJCHY-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN COc1cc(CN2CCCCC[C@H]2C)ccc1C#N ZINC000234967046 376627447 /nfs/dbraw/zinc/62/74/47/376627447.db2.gz NNPVLIHLZWQOJD-CYBMUJFWSA-N 0 3 258.365 3.331 20 30 CGEDHN COc1cc(CN2C[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000235009062 376630352 /nfs/dbraw/zinc/63/03/52/376630352.db2.gz BMLXNNXGEWXNCK-CHWSQXEVSA-N 0 3 258.365 3.045 20 30 CGEDHN CCc1ccc([C@H](CNc2cnccc2C#N)N(C)C)cc1 ZINC000339045409 376644966 /nfs/dbraw/zinc/64/49/66/376644966.db2.gz OSMWDVWIBKXOBD-SFHVURJKSA-N 0 3 294.402 3.230 20 30 CGEDHN N#Cc1cccc(CNCCOc2ccc(F)cc2F)c1 ZINC000237772552 376760447 /nfs/dbraw/zinc/76/04/47/376760447.db2.gz KUBKVUYNUPAQTQ-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN C=CCC(C)(C)CNCc1nccn1CC(F)(F)F ZINC000339418962 376753731 /nfs/dbraw/zinc/75/37/31/376753731.db2.gz YZNRWYDODSZZPH-UHFFFAOYSA-N 0 3 275.318 3.137 20 30 CGEDHN C=CC[C@H](CO)NCc1cnc(C2CCCCC2)s1 ZINC000545253548 376804396 /nfs/dbraw/zinc/80/43/96/376804396.db2.gz NZYXVVLUXZIRNS-CYBMUJFWSA-N 0 3 280.437 3.217 20 30 CGEDHN N#CCC[C@@H](C#N)CNCC1C2CC3CC(C2)CC1C3 ZINC000556667154 376867522 /nfs/dbraw/zinc/86/75/22/376867522.db2.gz JIXXSTHVDYBWNP-CNSOWSRNSA-N 0 3 271.408 3.092 20 30 CGEDHN COc1cc(CN(C)[C@H](C)CCC#N)ccc1OC(F)F ZINC000556811876 376883308 /nfs/dbraw/zinc/88/33/08/376883308.db2.gz JZBVBBNQLFOHCB-LLVKDONJSA-N 0 3 298.333 3.421 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)[C@H](C)C1 ZINC000245948537 376942210 /nfs/dbraw/zinc/94/22/10/376942210.db2.gz SDRMEXRJFYSTLJ-QWHCGFSZSA-N 0 3 258.365 3.045 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1ccccc1F ZINC000246076498 376962754 /nfs/dbraw/zinc/96/27/54/376962754.db2.gz YVCHMGOIKKJTDV-STQMWFEESA-N 0 3 251.345 3.146 20 30 CGEDHN C[C@@](CO)(NCc1cccc(C#N)c1F)C1CCCCC1 ZINC000340862981 377292751 /nfs/dbraw/zinc/29/27/51/377292751.db2.gz AMFFCIHQWUGFQX-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN CS[C@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000340887812 377305436 /nfs/dbraw/zinc/30/54/36/377305436.db2.gz REECVDLMGCVNOA-AWEZNQCLSA-N 0 3 278.396 3.415 20 30 CGEDHN CS[C@@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000340887818 377305478 /nfs/dbraw/zinc/30/54/78/377305478.db2.gz REECVDLMGCVNOA-CQSZACIVSA-N 0 3 278.396 3.415 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000249113477 377464889 /nfs/dbraw/zinc/46/48/89/377464889.db2.gz RPWUFQWSHARCGG-PBHICJAKSA-N 0 3 272.392 3.338 20 30 CGEDHN C=CC[C@H](CO)CNCc1cnc(C2CCCC2)s1 ZINC000341253028 377465812 /nfs/dbraw/zinc/46/58/12/377465812.db2.gz AOWTYLPJBCLHJK-LBPRGKRZSA-N 0 3 280.437 3.075 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)ccc1Cl ZINC000341268579 377478743 /nfs/dbraw/zinc/47/87/43/377478743.db2.gz KIADHSANIKIMCT-SNVBAGLBSA-N 0 3 274.191 3.268 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cnc(-c2cccs2)s1 ZINC000341270261 377480123 /nfs/dbraw/zinc/48/01/23/377480123.db2.gz VJJVJUADXGFULP-LLVKDONJSA-N 0 3 294.445 3.146 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000569943335 377531332 /nfs/dbraw/zinc/53/13/32/377531332.db2.gz DWQZNAIEAZTYGQ-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN CCS[C@@H]1CCC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000570274060 377534681 /nfs/dbraw/zinc/53/46/81/377534681.db2.gz VTOCGCDXDKTPJW-BFHYXJOUSA-N 0 3 265.426 3.084 20 30 CGEDHN N#CCC1(CNCc2ccnc3ccccc23)CC1 ZINC000573184646 377554085 /nfs/dbraw/zinc/55/40/85/377554085.db2.gz GRCKYSJIIPNVJY-UHFFFAOYSA-N 0 3 251.333 3.018 20 30 CGEDHN C=CCCCCN1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000572333870 377548047 /nfs/dbraw/zinc/54/80/47/377548047.db2.gz KSHNYVYJAOIDSW-JYJNAYRXSA-N 0 3 267.413 3.001 20 30 CGEDHN C=CCCCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000573436316 377556493 /nfs/dbraw/zinc/55/64/93/377556493.db2.gz ICSMWLGBOFIHQY-INIZCTEOSA-N 0 3 288.435 3.494 20 30 CGEDHN COc1cccc2c1CCC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000573832244 377583355 /nfs/dbraw/zinc/58/33/55/377583355.db2.gz XVKLPJSNNMMWTI-WOSRLPQWSA-N 0 3 270.376 3.354 20 30 CGEDHN C=C(C)CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000265635596 190195277 /nfs/dbraw/zinc/19/52/77/190195277.db2.gz HISQRUUJGPJGIV-UHFFFAOYSA-N 0 3 253.349 3.228 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000342787866 377792904 /nfs/dbraw/zinc/79/29/04/377792904.db2.gz NWGRXRLYHKERNZ-UFBFGSQYSA-N 0 3 295.264 3.047 20 30 CGEDHN COc1cc(C)c(CNCc2cccc(C#N)c2)cc1OC ZINC000343265874 377942528 /nfs/dbraw/zinc/94/25/28/377942528.db2.gz OYEKOQKSBADPBH-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN CC[C@@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C(C)(C)C ZINC000343597828 378034290 /nfs/dbraw/zinc/03/42/90/378034290.db2.gz TZYFXZQEONHBNP-CYBMUJFWSA-N 0 3 291.395 3.121 20 30 CGEDHN CC(C)N(Cc1cccc(Cl)c1)C(=O)C(C)C#N ZINC000343642517 378050532 /nfs/dbraw/zinc/05/05/32/378050532.db2.gz STYMTGTWYFVUQF-NSHDSACASA-N 0 3 264.756 3.237 20 30 CGEDHN C=C(CNCc1cc(C#N)cs1)c1ccccc1 ZINC000343756493 378084894 /nfs/dbraw/zinc/08/48/94/378084894.db2.gz FAKDZZHWLGZAMT-UHFFFAOYSA-N 0 3 254.358 3.423 20 30 CGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)OCO2 ZINC000343750990 378082813 /nfs/dbraw/zinc/08/28/13/378082813.db2.gz JRXBIOXFTYIHOZ-CYBMUJFWSA-N 0 3 294.354 3.332 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000269213617 378197618 /nfs/dbraw/zinc/19/76/18/378197618.db2.gz OQCVKTPUJLHRBQ-UHFFFAOYSA-N 0 3 270.376 3.039 20 30 CGEDHN C[C@H](C1CCCCC1)N(C)Cc1ccc(C#N)cn1 ZINC000580091055 378223214 /nfs/dbraw/zinc/22/32/14/378223214.db2.gz OUIXNEKQJIEMJU-CYBMUJFWSA-N 0 3 257.381 3.354 20 30 CGEDHN COc1ccc(CNc2cc(C)cc(C)n2)cc1C#N ZINC000269441408 378222185 /nfs/dbraw/zinc/22/21/85/378222185.db2.gz BJJDGSIJSUHINF-UHFFFAOYSA-N 0 3 267.332 3.191 20 30 CGEDHN C=C(C)[C@H](CC(=O)Nc1cccc(CN(C)C)c1)OCC ZINC000269998498 378292551 /nfs/dbraw/zinc/29/25/51/378292551.db2.gz AGLCFXWSLQWCRA-INIZCTEOSA-N 0 3 290.407 3.058 20 30 CGEDHN CCN(Cc1ccc(C#N)cn1)[C@@H](C)Cc1ccsc1 ZINC000580900647 378266581 /nfs/dbraw/zinc/26/65/81/378266581.db2.gz QWUFOGNLTODTHH-ZDUSSCGKSA-N 0 3 285.416 3.468 20 30 CGEDHN Cc1ncsc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618742727 378410829 /nfs/dbraw/zinc/41/08/29/378410829.db2.gz QNGVMXYIACXIAF-CQSZACIVSA-N 0 3 269.373 3.100 20 30 CGEDHN C[C@@H](C[C@@H](O)c1cccs1)NCc1cccc(C#N)c1 ZINC000270618627 378375783 /nfs/dbraw/zinc/37/57/83/378375783.db2.gz FDUOHNSFQSIAAJ-SWLSCSKDSA-N 0 3 286.400 3.222 20 30 CGEDHN COC[C@@H](NCCC(C)(C)C#N)c1ccc(F)cc1 ZINC000345953838 378419455 /nfs/dbraw/zinc/41/94/55/378419455.db2.gz PWVDLVCBOYNVEW-CQSZACIVSA-N 0 3 264.344 3.043 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000270988169 378423329 /nfs/dbraw/zinc/42/33/29/378423329.db2.gz HMNJHVBAPKSLDO-GOSISDBHSA-N 0 3 293.370 3.321 20 30 CGEDHN C#CCCCN(CCC)CC(=O)Nc1ccccc1C ZINC000271008120 378426922 /nfs/dbraw/zinc/42/69/22/378426922.db2.gz HJQDTINOTHHPFQ-UHFFFAOYSA-N 0 3 272.392 3.059 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000271238920 378485178 /nfs/dbraw/zinc/48/51/78/378485178.db2.gz XNEGWKKIRFDGHM-ARLDUQMTSA-N 0 3 290.407 3.225 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000637623841 378542505 /nfs/dbraw/zinc/54/25/05/378542505.db2.gz OWTPHUZKPYGUNU-GJZGRUSLSA-N 0 3 295.471 3.103 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(Br)cc1 ZINC000272494396 378649575 /nfs/dbraw/zinc/64/95/75/378649575.db2.gz SOLSKOXLCIPXKK-NSHDSACASA-N 0 3 284.197 3.302 20 30 CGEDHN COc1ccc(C[C@H](C)NCC(C)(C)C#N)c(C)c1OC ZINC000348219833 378845124 /nfs/dbraw/zinc/84/51/24/378845124.db2.gz MPMZLUWOTJVJAQ-LBPRGKRZSA-N 0 3 290.407 3.083 20 30 CGEDHN COc1ccccc1C[C@H](NCC1(C#N)CC1)C(C)C ZINC000348277732 378880906 /nfs/dbraw/zinc/88/09/06/378880906.db2.gz HJZHYHGIIMCXBM-HNNXBMFYSA-N 0 3 272.392 3.156 20 30 CGEDHN CC(C)(NCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000348308198 378898987 /nfs/dbraw/zinc/89/89/87/378898987.db2.gz KEUYKFYRDGRXKK-UHFFFAOYSA-N 0 3 299.399 3.083 20 30 CGEDHN C=C(C)CCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000274854460 378907333 /nfs/dbraw/zinc/90/73/33/378907333.db2.gz RYFPBMWEQOBMIP-LLVKDONJSA-N 0 3 267.344 3.460 20 30 CGEDHN C[C@@](O)(CNCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000276647997 378973714 /nfs/dbraw/zinc/97/37/14/378973714.db2.gz SNGFDQIOPUCMOX-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNCCC[C@@H]2CCO2)cc1 ZINC000638903042 378949108 /nfs/dbraw/zinc/94/91/08/378949108.db2.gz SKOKQHSGDIAXQQ-OAHLLOKOSA-N 0 3 297.320 3.216 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H]2CCC[C@H]2O)cc1Cl ZINC000348545312 378985907 /nfs/dbraw/zinc/98/59/07/378985907.db2.gz KNNWETIQYDCSEI-HUUCEWRRSA-N 0 3 295.810 3.250 20 30 CGEDHN Cc1ccccc1[C@H](NCc1cc(C#N)n(C)c1)C1CC1 ZINC000277002139 379041136 /nfs/dbraw/zinc/04/11/36/379041136.db2.gz ZLKMBODTYZBXBS-GOSISDBHSA-N 0 3 279.387 3.446 20 30 CGEDHN N#Cc1ccc(OCCN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000347335358 218193549 /nfs/dbraw/zinc/19/35/49/218193549.db2.gz FFMDJSJKPABBTO-GOSISDBHSA-N 0 3 293.370 3.073 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccncc3)C2)c(F)c1 ZINC000370722454 379059907 /nfs/dbraw/zinc/05/99/07/379059907.db2.gz SIIIBXZSTTVNFM-MRXNPFEDSA-N 0 3 295.361 3.157 20 30 CGEDHN C=C(C)CCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639227735 379167364 /nfs/dbraw/zinc/16/73/64/379167364.db2.gz QPZGGZATQSHROV-UHFFFAOYSA-N 0 3 287.329 3.294 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000349806414 379391999 /nfs/dbraw/zinc/39/19/99/379391999.db2.gz YXUKGOSWDVOUKX-GXFFZTMASA-N 0 3 268.282 3.487 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2N2CCCCC2)C1 ZINC000349826308 379404090 /nfs/dbraw/zinc/40/40/90/379404090.db2.gz AVPUBGPHWVDZDX-DOTOQJQBSA-N 0 3 283.419 3.459 20 30 CGEDHN C=CCN[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000374825861 379478004 /nfs/dbraw/zinc/47/80/04/379478004.db2.gz QIXWGZKLWCZOBN-JKSUJKDBSA-N 0 3 280.362 3.264 20 30 CGEDHN N#CCCCCN1CCC(F)(c2cccnc2)CC1 ZINC000375335849 379493250 /nfs/dbraw/zinc/49/32/50/379493250.db2.gz GJGSGGZMFCRYBK-UHFFFAOYSA-N 0 3 261.344 3.036 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@H]1C ZINC000639643483 379521565 /nfs/dbraw/zinc/52/15/65/379521565.db2.gz JWFXXSLRDDBHND-RDJZCZTQSA-N 0 3 291.439 3.267 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@@H]1C ZINC000639643484 379522373 /nfs/dbraw/zinc/52/23/73/379522373.db2.gz JWFXXSLRDDBHND-WBVHZDCISA-N 0 3 291.439 3.267 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000352403360 379797671 /nfs/dbraw/zinc/79/76/71/379797671.db2.gz VBEMPIOGGRXWGI-CYBMUJFWSA-N 0 3 264.344 3.030 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccsc2C)CC1 ZINC000640471713 379805175 /nfs/dbraw/zinc/80/51/75/379805175.db2.gz KMTUJRNDILTFPZ-UHFFFAOYSA-N 0 3 293.436 3.219 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(F)c1F ZINC000280694390 379765761 /nfs/dbraw/zinc/76/57/61/379765761.db2.gz RTXWDHSYZPDSHC-WFASDCNBSA-N 0 3 267.319 3.036 20 30 CGEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000280719606 379771982 /nfs/dbraw/zinc/77/19/82/379771982.db2.gz CAQYKYOFFYLXKF-IPMKNSEASA-N 0 3 298.430 3.464 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(Cl)cn1 ZINC000280910311 379808846 /nfs/dbraw/zinc/80/88/46/379808846.db2.gz RZJWZPUMGSLIEB-JMSVASOKSA-N 0 3 280.799 3.367 20 30 CGEDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000352562981 379859946 /nfs/dbraw/zinc/85/99/46/379859946.db2.gz OFBCPOHICAKWAQ-UHFFFAOYSA-N 0 3 295.342 3.141 20 30 CGEDHN CO[C@@H]([C@@H](C)N[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000388325737 379886396 /nfs/dbraw/zinc/88/63/96/379886396.db2.gz ZIEHRSLTSVGGQI-HSMVNMDESA-N 0 3 258.365 3.022 20 30 CGEDHN COc1ccc(CN2CCC(CCC#N)CC2)cc1C#N ZINC000399327523 379939463 /nfs/dbraw/zinc/93/94/63/379939463.db2.gz KZOAEGGADFCWMS-UHFFFAOYSA-N 0 3 283.375 3.083 20 30 CGEDHN C[C@@H](NCc1nc(C#N)cs1)C(C)(C)c1ccccc1 ZINC000352826035 379985406 /nfs/dbraw/zinc/98/54/06/379985406.db2.gz VLEVQEHGPXYPJU-GFCCVEGCSA-N 0 3 285.416 3.471 20 30 CGEDHN Cc1cc(C)cc(C[C@H](C)NCc2nc(C#N)cs2)c1 ZINC000352841652 379996455 /nfs/dbraw/zinc/99/64/55/379996455.db2.gz VAMABRLKHWOXCH-ZDUSSCGKSA-N 0 3 285.416 3.352 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1CCOCC1 ZINC000352946547 380051609 /nfs/dbraw/zinc/05/16/09/380051609.db2.gz JDGGYLHEXMCHQT-UHFFFAOYSA-N 0 3 291.439 3.269 20 30 CGEDHN N#CC1(CCN[C@H](CO)c2ccc(F)cc2)CCCCC1 ZINC000411500856 380149122 /nfs/dbraw/zinc/14/91/22/380149122.db2.gz GCHAUJOYCVOKHB-MRXNPFEDSA-N 0 3 290.382 3.313 20 30 CGEDHN COc1cccc(C2=CCN([C@H](C)CCC#N)CC2)c1 ZINC000411217945 380136429 /nfs/dbraw/zinc/13/64/29/380136429.db2.gz HXYNIDRICFLZKC-CQSZACIVSA-N 0 3 270.376 3.477 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CCOC ZINC000411189767 380134395 /nfs/dbraw/zinc/13/43/95/380134395.db2.gz GLSIGCBJRJIUMG-ZDUSSCGKSA-N 0 3 278.352 3.008 20 30 CGEDHN C=CCN(C[C@@H](O)COc1ccccc1SC)C(C)C ZINC000411180043 380134718 /nfs/dbraw/zinc/13/47/18/380134718.db2.gz MTLUHIWQGIEDJA-CQSZACIVSA-N 0 3 295.448 3.045 20 30 CGEDHN CC(=O)N1CC[C@@H](NCC(C)(C)CC#N)c2ccccc2C1 ZINC000414164549 380196478 /nfs/dbraw/zinc/19/64/78/380196478.db2.gz KIERSUTVUYULRS-QGZVFWFLSA-N 0 3 299.418 3.009 20 30 CGEDHN C=CC1CCN(Cc2cnc3cccc(C)n23)CC1 ZINC000353601572 380214818 /nfs/dbraw/zinc/21/48/18/380214818.db2.gz BDVRJSKJFNOADL-UHFFFAOYSA-N 0 3 255.365 3.041 20 30 CGEDHN Cc1cnn(C)c1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353917211 380233224 /nfs/dbraw/zinc/23/32/24/380233224.db2.gz SZZBOKYUSYMZJP-INIZCTEOSA-N 0 3 282.391 3.253 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CS[C@@H](C)C2)cc1OC ZINC000414495023 380270602 /nfs/dbraw/zinc/27/06/02/380270602.db2.gz AWZHRFIJCFCETP-JSGCOSHPSA-N 0 3 293.432 3.244 20 30 CGEDHN CN(C)Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(F)c1 ZINC000414496844 380272604 /nfs/dbraw/zinc/27/26/04/380272604.db2.gz JDUUZIWBKMADIX-JSGCOSHPSA-N 0 3 275.371 3.382 20 30 CGEDHN C=CCC(C)(C)CNC(=O)Nc1ccccc1CNC ZINC000415900892 380516827 /nfs/dbraw/zinc/51/68/27/380516827.db2.gz MKFGHCRNTLDMKX-UHFFFAOYSA-N 0 3 275.396 3.130 20 30 CGEDHN C=C(CNC[C@H](O)COc1ccc(C)cc1)c1ccccc1 ZINC000644647381 380469390 /nfs/dbraw/zinc/46/93/90/380469390.db2.gz SWHFDVOVKKWDFR-SFHVURJKSA-N 0 3 297.398 3.038 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)CC(C)C ZINC000417326914 380592824 /nfs/dbraw/zinc/59/28/24/380592824.db2.gz BGCUCYFSRJNVFY-IUODEOHRSA-N 0 3 278.371 3.409 20 30 CGEDHN C=CCN(Cc1cncn1CC)CC1CCCCC1 ZINC000417766789 380674654 /nfs/dbraw/zinc/67/46/54/380674654.db2.gz APVPZQVYFMUTGF-UHFFFAOYSA-N 0 3 261.413 3.471 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419368993 380817956 /nfs/dbraw/zinc/81/79/56/380817956.db2.gz GPUBZGYARODQKH-YNEHKIRRSA-N 0 3 258.365 3.043 20 30 CGEDHN CN(C)Cc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000357290342 381095312 /nfs/dbraw/zinc/09/53/12/381095312.db2.gz CUOOKIGBQNYLMK-UHFFFAOYSA-N 0 3 297.377 3.049 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000358308066 381303128 /nfs/dbraw/zinc/30/31/28/381303128.db2.gz XTHOIMOPCNKOOD-KBPBESRZSA-N 0 3 255.365 3.157 20 30 CGEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1F ZINC000359609116 381355511 /nfs/dbraw/zinc/35/55/11/381355511.db2.gz JWELAJUNRNABMZ-RNCFNFMXSA-N 0 3 282.746 3.452 20 30 CGEDHN N#Cc1ccc2ncc(CN[C@H]3C[C@@H]3C3CCCCC3)n2c1 ZINC000360017488 381413389 /nfs/dbraw/zinc/41/33/89/381413389.db2.gz DANXWCZOVZUAQF-SJORKVTESA-N 0 3 294.402 3.264 20 30 CGEDHN CC(C)[C@@H]1N(Cc2cccc(C#N)c2)CC12CCOCC2 ZINC000334823303 207140404 /nfs/dbraw/zinc/14/04/04/207140404.db2.gz BRLSSMULHYZSRH-KRWDZBQOSA-N 0 3 284.403 3.195 20 30 CGEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1cncc(F)c1 ZINC000361127517 381653105 /nfs/dbraw/zinc/65/31/05/381653105.db2.gz BAGSPFQKYFIOEZ-ZDUSSCGKSA-N 0 3 299.349 3.212 20 30 CGEDHN CC[C@H](C)CN(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000361337508 381705051 /nfs/dbraw/zinc/70/50/51/381705051.db2.gz SHIYLNUWKIRPKW-HNNXBMFYSA-N 0 3 293.455 3.039 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1ccc(Br)cn1 ZINC000361399850 381733191 /nfs/dbraw/zinc/73/31/91/381733191.db2.gz JSSJAOOCBIYOEB-NSHDSACASA-N 0 3 299.212 3.087 20 30 CGEDHN CCCN(Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC000361510097 381782553 /nfs/dbraw/zinc/78/25/53/381782553.db2.gz GLSHLPXTDNJDAC-UHFFFAOYSA-N 0 3 285.366 3.448 20 30 CGEDHN N#CCCCCN1CCS[C@@H](c2ccccc2)C1 ZINC000361479686 381764049 /nfs/dbraw/zinc/76/40/49/381764049.db2.gz SUWQAUJALICAEQ-OAHLLOKOSA-N 0 3 260.406 3.470 20 30 CGEDHN COCCN(Cc1ccc(C#N)c(F)c1)[C@H]1CC[C@H](C)C1 ZINC000362152500 381890249 /nfs/dbraw/zinc/89/02/49/381890249.db2.gz CDSWIASQHANWGV-BBRMVZONSA-N 0 3 290.382 3.334 20 30 CGEDHN CC(C)[C@@H]1CN(CCOc2ccccc2C#N)CCS1 ZINC000362384565 381967245 /nfs/dbraw/zinc/96/72/45/381967245.db2.gz HPHGKRWGSZMNEG-INIZCTEOSA-N 0 3 290.432 3.010 20 30 CGEDHN C#CCCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000191997489 533015585 /nfs/dbraw/zinc/01/55/85/533015585.db2.gz YBXMTZMVOJEUED-GOSISDBHSA-N 0 3 298.430 3.052 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000335334718 208216533 /nfs/dbraw/zinc/21/65/33/208216533.db2.gz RVTNHGNXOIQDPM-ZDUSSCGKSA-N 0 3 280.375 3.222 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000347072283 533115689 /nfs/dbraw/zinc/11/56/89/533115689.db2.gz PNZKCURRJOTIMQ-LRDDRELGSA-N 0 3 282.318 3.191 20 30 CGEDHN C=CCN(CC=C)CCOc1cccc(Cl)c1 ZINC000302816202 542414855 /nfs/dbraw/zinc/41/48/55/542414855.db2.gz VJBCIDFDKHACIM-UHFFFAOYSA-N 0 3 251.757 3.393 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc2n[nH]cc2c1 ZINC000353286234 533373624 /nfs/dbraw/zinc/37/36/24/533373624.db2.gz KMSOHNJRIOLNFP-LLVKDONJSA-N 0 3 256.353 3.153 20 30 CGEDHN COc1cccc(C2=CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000336128554 533439604 /nfs/dbraw/zinc/43/96/04/533439604.db2.gz ZFDVXWZQQBNSTO-WMLDXEAASA-N 0 3 282.387 3.477 20 30 CGEDHN C[C@@H](Nc1ncccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000439129092 533566817 /nfs/dbraw/zinc/56/68/17/533566817.db2.gz PUIMBCSZORLYLY-CJNGLKHVSA-N 0 3 280.375 3.057 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@](CC)(CO)C2)c1 ZINC000190234201 130076808 /nfs/dbraw/zinc/07/68/08/130076808.db2.gz NAFKPNLIQUVGSX-SFHVURJKSA-N 0 3 289.419 3.236 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CCS[C@H]1C ZINC000385953698 542603450 /nfs/dbraw/zinc/60/34/50/542603450.db2.gz AGFFHOMUFMJDEG-GXTWGEPZSA-N 0 3 263.406 3.235 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCSC[C@H](C)C1 ZINC000190484196 130108898 /nfs/dbraw/zinc/10/88/98/130108898.db2.gz CVDXBYRTSQVVBY-OLZOCXBDSA-N 0 3 260.406 3.304 20 30 CGEDHN Cn1cc(CN(Cc2ccccc2)C2CC2)cc1C#N ZINC000191208348 130201970 /nfs/dbraw/zinc/20/19/70/130201970.db2.gz UUDCNEZMANJYFE-UHFFFAOYSA-N 0 3 265.360 3.061 20 30 CGEDHN Cn1cc(CN(Cc2ccco2)C2CCCC2)cc1C#N ZINC000191227433 130205274 /nfs/dbraw/zinc/20/52/74/130205274.db2.gz UENGKLMCTQCCTG-UHFFFAOYSA-N 0 3 283.375 3.435 20 30 CGEDHN CCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1cccc(O)c1 ZINC000191253616 130209975 /nfs/dbraw/zinc/20/99/75/130209975.db2.gz HCAOOGOBKOWPHT-CYBMUJFWSA-N 0 3 283.375 3.185 20 30 CGEDHN CCc1ccc(C(C)(C)NCc2cc(C#N)n(C)c2)cc1 ZINC000191298481 130218178 /nfs/dbraw/zinc/21/81/78/130218178.db2.gz HKDFMPFOTRMOFS-UHFFFAOYSA-N 0 3 281.403 3.484 20 30 CGEDHN Cc1ccccc1CN(C)CCOc1ccccc1C#N ZINC000048554140 392003860 /nfs/dbraw/zinc/00/38/60/392003860.db2.gz ITRYOVCPAFSWKN-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN CC(C)N(CC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000068448870 392165312 /nfs/dbraw/zinc/16/53/12/392165312.db2.gz LHKTYUSLWHJDPH-UHFFFAOYSA-N 0 3 285.391 3.150 20 30 CGEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)C[C@H](C)S1 ZINC000070383279 392182051 /nfs/dbraw/zinc/18/20/51/392182051.db2.gz RUBHIPMMVBDSAG-OKILXGFUSA-N 0 3 290.432 3.153 20 30 CGEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCOC1 ZINC000106881549 392311599 /nfs/dbraw/zinc/31/15/99/392311599.db2.gz ADVKYKBXQKMCSY-GOSISDBHSA-N 0 3 292.382 3.446 20 30 CGEDHN C=CCC[C@H](CCC)NCc1ncnn1C(C)(C)C ZINC000282697439 392294383 /nfs/dbraw/zinc/29/43/83/392294383.db2.gz KRULSSGWJBTAEG-ZDUSSCGKSA-N 0 3 264.417 3.258 20 30 CGEDHN C=CCSCCN[C@H]1CCCc2c(O)cccc21 ZINC000285334138 392323235 /nfs/dbraw/zinc/32/32/35/392323235.db2.gz ULOVMTMZNUDMKC-AWEZNQCLSA-N 0 3 263.406 3.278 20 30 CGEDHN N#Cc1cccc(CNC2CC(OCc3ccccc3)C2)c1 ZINC000361915870 392360867 /nfs/dbraw/zinc/36/08/67/392360867.db2.gz ZBWWXYDEIYRNFB-UHFFFAOYSA-N 0 3 292.382 3.396 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@H](C)C1(C)CC1 ZINC000121183632 392411378 /nfs/dbraw/zinc/41/13/78/392411378.db2.gz IDTVRYGJIUCZSE-GFCCVEGCSA-N 0 3 258.365 3.187 20 30 CGEDHN C#C[C@H](NCc1cnc(-c2ccco2)s1)C(C)C ZINC000289083428 392413705 /nfs/dbraw/zinc/41/37/05/392413705.db2.gz BCGRRBOKGNCZLB-LBPRGKRZSA-N 0 3 260.362 3.151 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OCC)c(OC)c2)cc1 ZINC000289309980 392418622 /nfs/dbraw/zinc/41/86/22/392418622.db2.gz RZHFOBRDSITRPD-UHFFFAOYSA-N 0 3 295.382 3.365 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000289721261 392429441 /nfs/dbraw/zinc/42/94/41/392429441.db2.gz JQTHCOVKRDXAHN-DOTOQJQBSA-N 0 3 288.435 3.265 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000289892902 392436687 /nfs/dbraw/zinc/43/66/87/392436687.db2.gz SQPQKUACFCWNGF-QAPCUYQASA-N 0 3 297.398 3.463 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000290366847 392446652 /nfs/dbraw/zinc/44/66/52/392446652.db2.gz GUGYQYZCZQTMFD-XJKSGUPXSA-N 0 3 292.398 3.147 20 30 CGEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000374271778 392673982 /nfs/dbraw/zinc/67/39/82/392673982.db2.gz HQCSLNUHOZNSJG-JKSUJKDBSA-N 0 3 293.455 3.001 20 30 CGEDHN CC(C)CCN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182664823 392747670 /nfs/dbraw/zinc/74/76/70/392747670.db2.gz YKZALDCYDDGPQB-KRWDZBQOSA-N 0 3 299.418 3.032 20 30 CGEDHN N#Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000335234254 392784498 /nfs/dbraw/zinc/78/44/98/392784498.db2.gz QCFOHOFZDVUCIX-SFHVURJKSA-N 0 3 296.414 3.339 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000192798640 392861110 /nfs/dbraw/zinc/86/11/10/392861110.db2.gz HYMONBWFPOAFIN-GFCCVEGCSA-N 0 3 299.399 3.299 20 30 CGEDHN CN(C)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000338797185 392929142 /nfs/dbraw/zinc/92/91/42/392929142.db2.gz XNPARIAFUVSNGF-MAZHCROVSA-N 0 3 291.826 3.225 20 30 CGEDHN C=CCOCCNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000339035532 392943781 /nfs/dbraw/zinc/94/37/81/392943781.db2.gz XTJPAYVCPZISIW-UHFFFAOYSA-N 0 3 295.810 3.138 20 30 CGEDHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000339063654 392943938 /nfs/dbraw/zinc/94/39/38/392943938.db2.gz DGEWQWHHGROBIN-BFHYXJOUSA-N 0 3 258.365 3.347 20 30 CGEDHN N#CCCOCCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000339064041 392943022 /nfs/dbraw/zinc/94/30/22/392943022.db2.gz OUPCMSGYKOFAGF-HNNXBMFYSA-N 0 3 278.783 3.311 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(OC)cc1 ZINC000339064207 392943159 /nfs/dbraw/zinc/94/31/59/392943159.db2.gz SVUAARWOJGUNNZ-NOLJZWGESA-N 0 3 258.365 3.428 20 30 CGEDHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000339063657 392943707 /nfs/dbraw/zinc/94/37/07/392943707.db2.gz DGEWQWHHGROBIN-MELADBBJSA-N 0 3 258.365 3.347 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1-n1cccn1 ZINC000339070250 392945901 /nfs/dbraw/zinc/94/59/01/392945901.db2.gz ZUGXUBZZANYVPD-KKUMJFAQSA-N 0 3 280.375 3.215 20 30 CGEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000198097057 392977304 /nfs/dbraw/zinc/97/73/04/392977304.db2.gz LWRAAVXSVWKVKT-UHFFFAOYSA-N 0 3 291.782 3.025 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cc(-c2ccccc2)no1 ZINC000411641096 392984984 /nfs/dbraw/zinc/98/49/84/392984984.db2.gz LMDYIOOQHABHNI-UHFFFAOYSA-N 0 3 299.418 3.281 20 30 CGEDHN CCN(CCC1(C#N)CCCCC1)C[C@@H](C)OC ZINC000411741556 392986807 /nfs/dbraw/zinc/98/68/07/392986807.db2.gz ADNJCKHXVIDIFH-CQSZACIVSA-N 0 3 252.402 3.207 20 30 CGEDHN C=C(CC)CN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412011735 392993327 /nfs/dbraw/zinc/99/33/27/392993327.db2.gz PLXQPAXRAPCZFE-QGZVFWFLSA-N 0 3 289.419 3.073 20 30 CGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412557802 393003272 /nfs/dbraw/zinc/00/32/72/393003272.db2.gz JPQMMCHXQMZOPO-MRXNPFEDSA-N 0 3 278.371 3.428 20 30 CGEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000342800287 393006871 /nfs/dbraw/zinc/00/68/71/393006871.db2.gz QXPRSMOOUNAZBN-HZSPNIEDSA-N 0 3 282.391 3.072 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000342829065 393008704 /nfs/dbraw/zinc/00/87/04/393008704.db2.gz ZNLPKWUTVVEKNZ-ZWKOTPCHSA-N 0 3 287.403 3.395 20 30 CGEDHN CC(C)N(CCOc1cccc(C#N)c1)Cc1ccco1 ZINC000346353344 393083898 /nfs/dbraw/zinc/08/38/98/393083898.db2.gz PPJRMHMMPJYGDY-UHFFFAOYSA-N 0 3 284.359 3.441 20 30 CGEDHN COc1ccccc1[C@H](C)NCCc1cccc(C#N)c1 ZINC000467453502 393102101 /nfs/dbraw/zinc/10/21/01/393102101.db2.gz GDPUSFSVDNGWJU-AWEZNQCLSA-N 0 3 280.371 3.460 20 30 CGEDHN N#Cc1ccc(CN(CC[C@@H]2CCCCO2)C2CC2)cc1 ZINC000347397901 393102963 /nfs/dbraw/zinc/10/29/63/393102963.db2.gz ZTTGPDNYSAXIRZ-SFHVURJKSA-N 0 3 284.403 3.482 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC000414036909 393037356 /nfs/dbraw/zinc/03/73/56/393037356.db2.gz QFMJOEKTBKADSK-ARFHVFGLSA-N 0 3 294.354 3.024 20 30 CGEDHN CC(C)CO[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000247627201 393078124 /nfs/dbraw/zinc/07/81/24/393078124.db2.gz NPJFYQOXBYKZOY-RHSMWYFYSA-N 0 3 272.392 3.366 20 30 CGEDHN C[C@](CO)(NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000265946882 393173846 /nfs/dbraw/zinc/17/38/46/393173846.db2.gz PCXJHBMMFTVWQN-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN CC[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(C#N)cc1 ZINC000278367393 393319853 /nfs/dbraw/zinc/31/98/53/393319853.db2.gz BWKZKROSNLALEQ-ABAIWWIYSA-N 0 3 254.337 3.083 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@](C)(OC)C1 ZINC000355227895 393268174 /nfs/dbraw/zinc/26/81/74/393268174.db2.gz WAZSIPHUEPMFER-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCCCCN(C)CC(=O)N(C)C1CCCCC1 ZINC000649248381 393384374 /nfs/dbraw/zinc/38/43/74/393384374.db2.gz ZXRVCXBESHHJPL-UHFFFAOYSA-N 0 3 266.429 3.066 20 30 CGEDHN C[C@H](Nc1ccc(C#N)cn1)[C@@H](c1ccccc1)N(C)C ZINC000280938960 393346450 /nfs/dbraw/zinc/34/64/50/393346450.db2.gz IGGMOLQLYYZDIF-GUYCJALGSA-N 0 3 280.375 3.057 20 30 CGEDHN C=CCC[C@H](NCC[C@@H](O)C(C)C)c1ccco1 ZINC000356098351 393357154 /nfs/dbraw/zinc/35/71/54/393357154.db2.gz VYJUOXGAXRTZIP-UONOGXRCSA-N 0 3 251.370 3.284 20 30 CGEDHN CO[C@H](CC(C)C)CN(C)Cc1ccc(C#N)cc1 ZINC000419207606 393364438 /nfs/dbraw/zinc/36/44/38/393364438.db2.gz UGBPIKVSEVSYAK-MRXNPFEDSA-N 0 3 260.381 3.051 20 30 CGEDHN C=CCN(CCc1cncc(C)n1)Cc1ccccc1 ZINC000649478146 393443123 /nfs/dbraw/zinc/44/31/23/393443123.db2.gz VOEQIWVGPFVSPX-UHFFFAOYSA-N 0 3 267.376 3.016 20 30 CGEDHN Cc1cc(CN[C@H](C)c2ccc3c(c2)OCO3)ccc1C#N ZINC000488131977 393462334 /nfs/dbraw/zinc/46/23/34/393462334.db2.gz ZZGDBJAEYZKKEP-CYBMUJFWSA-N 0 3 294.354 3.446 20 30 CGEDHN C=CCCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000649387225 393409716 /nfs/dbraw/zinc/40/97/16/393409716.db2.gz COMOOJFLBHMYHE-UHFFFAOYSA-N 0 3 255.365 3.318 20 30 CGEDHN COc1ccc2c(c1)C[C@@H](C)N(CCCC#N)[C@@H]2C ZINC000359539337 393550510 /nfs/dbraw/zinc/55/05/10/393550510.db2.gz ORLNHPBGPHUWMP-CHWSQXEVSA-N 0 3 258.365 3.307 20 30 CGEDHN CN(Cc1ccc(F)c(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000420998988 393568755 /nfs/dbraw/zinc/56/87/55/393568755.db2.gz BRSBYBQDBRPIGP-UHFFFAOYSA-N 0 3 290.382 3.475 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H]1CC2CCC1CC2 ZINC000433058301 393679356 /nfs/dbraw/zinc/67/93/56/393679356.db2.gz AEKJHPXHHNDWRN-ZEPSKSRBSA-N 0 3 258.340 3.366 20 30 CGEDHN CCCC[C@H](COC)NCc1ccc(C#N)c(C)c1 ZINC000444005592 393783270 /nfs/dbraw/zinc/78/32/70/393783270.db2.gz RHDYMFOQLVEVHX-MRXNPFEDSA-N 0 3 260.381 3.162 20 30 CGEDHN C=CCN(CC=C)[C@H](CNCc1ccncc1F)C(C)C ZINC000449075046 393874853 /nfs/dbraw/zinc/87/48/53/393874853.db2.gz MEMMRNHQSZTEGH-QGZVFWFLSA-N 0 3 291.414 3.009 20 30 CGEDHN CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000449559802 393902736 /nfs/dbraw/zinc/90/27/36/393902736.db2.gz ZEXBDQVTWAPCGR-SJLPKXTDSA-N 0 3 296.418 3.318 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCC2)C12CCCC2 ZINC000450974494 394040089 /nfs/dbraw/zinc/04/00/89/394040089.db2.gz VTBYVLNEEASIJZ-UONOGXRCSA-N 0 3 262.397 3.008 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCC2)C12CCCC2 ZINC000450974495 394040452 /nfs/dbraw/zinc/04/04/52/394040452.db2.gz VTBYVLNEEASIJZ-ZIAGYGMSSA-N 0 3 262.397 3.008 20 30 CGEDHN C=CC1CCN(Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667624005 542899657 /nfs/dbraw/zinc/89/96/57/542899657.db2.gz KKTZJSSNUZYYRM-GOSISDBHSA-N 0 3 287.403 3.252 20 30 CGEDHN CCN(CC#Cc1ccccc1Cl)C[C@@H]1CCOC1 ZINC000676714524 543412358 /nfs/dbraw/zinc/41/23/58/543412358.db2.gz LZCKZUHEFFEUKI-AWEZNQCLSA-N 0 3 277.795 3.050 20 30 CGEDHN CCC#C[C@@H](C)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000677047055 543427697 /nfs/dbraw/zinc/42/76/97/543427697.db2.gz QALZLSJTWBOJGC-MRXNPFEDSA-N 0 3 288.410 3.135 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC000678765054 543553744 /nfs/dbraw/zinc/55/37/44/543553744.db2.gz BKWZDJFDYMXRBH-XJKSGUPXSA-N 0 3 295.448 3.013 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000678895967 543569600 /nfs/dbraw/zinc/56/96/00/543569600.db2.gz XBDBCNXRWOCLBO-SCLBCKFNSA-N 0 3 285.387 3.300 20 30 CGEDHN N#Cc1ccc(CNCCc2c(F)cccc2F)cc1 ZINC000069749819 165052873 /nfs/dbraw/zinc/05/28/73/165052873.db2.gz XYYLLKSWUCPDGP-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1ccc(C#N)cc1OC ZINC000091098630 165257777 /nfs/dbraw/zinc/25/77/77/165257777.db2.gz FOIOYAICJSSXJJ-CQSZACIVSA-N 0 3 278.421 3.140 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000091098255 165258118 /nfs/dbraw/zinc/25/81/18/165258118.db2.gz LFWIMZVSBRAFAK-CQSZACIVSA-N 0 3 278.421 3.140 20 30 CGEDHN C=CCOCCNCc1cc(Cl)cc2cccnc21 ZINC000679486480 543640661 /nfs/dbraw/zinc/64/06/61/543640661.db2.gz NWYGBPKUSDARAL-UHFFFAOYSA-N 0 3 276.767 3.180 20 30 CGEDHN C=CCC[C@H](NCc1nn(C)c2ccccc12)C1CC1 ZINC000680636448 543721276 /nfs/dbraw/zinc/72/12/76/543721276.db2.gz LALRAQZDARDVPA-HNNXBMFYSA-N 0 3 269.392 3.408 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(F)cc2F)C1 ZINC000334693940 225276615 /nfs/dbraw/zinc/27/66/15/225276615.db2.gz SLKOGGNCUQYYBC-GWCFXTLKSA-N 0 3 250.292 3.137 20 30 CGEDHN C[C@@H]1CCC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000130655342 287360367 /nfs/dbraw/zinc/36/03/67/287360367.db2.gz YDMWAYNOMLHCCA-UKRRQHHQSA-N 0 3 282.391 3.216 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C(C)(C)C)C1 ZINC000131346060 287376637 /nfs/dbraw/zinc/37/66/37/287376637.db2.gz NJJVFDUJFIBQCS-OAHLLOKOSA-N 0 3 272.392 3.435 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000684205604 543972606 /nfs/dbraw/zinc/97/26/06/543972606.db2.gz XPCJEDJYJMOMPX-JTQLQIEISA-N 0 3 273.298 3.347 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nc(C)sc1C ZINC000684773957 544028546 /nfs/dbraw/zinc/02/85/46/544028546.db2.gz MVJSLZYPBNXZPJ-ZBINZKHDSA-N 0 3 280.437 3.392 20 30 CGEDHN CCC#C[C@H](C)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000685581655 544086683 /nfs/dbraw/zinc/08/66/83/544086683.db2.gz RCEGPFQHXYEQLZ-JCURWCKSSA-N 0 3 292.373 3.102 20 30 CGEDHN C=CCN1CCC(NC(=O)NC[C@H](CC)CCCC)CC1 ZINC000171694970 335074917 /nfs/dbraw/zinc/07/49/17/335074917.db2.gz DNONFFGXPIYYFN-OAHLLOKOSA-N 0 3 295.471 3.152 20 30 CGEDHN C=CC1CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000171884445 335083808 /nfs/dbraw/zinc/08/38/08/335083808.db2.gz VMSRCLCSXBYRRQ-UHFFFAOYSA-N 0 3 267.376 3.336 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc3ccccc3n2)C1 ZINC000336611844 227181286 /nfs/dbraw/zinc/18/12/86/227181286.db2.gz WHRBSPMJMCLSOQ-TZMCWYRMSA-N 0 3 251.333 3.017 20 30 CGEDHN Cc1ccccc1[C@@H]([C@H](C)NCc1ccc(C#N)o1)N(C)C ZINC000443008756 227306826 /nfs/dbraw/zinc/30/68/26/227306826.db2.gz HDWCJMLLROSHLG-KBXCAEBGSA-N 0 3 297.402 3.241 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000659017008 418956505 /nfs/dbraw/zinc/95/65/05/418956505.db2.gz CVAWIXRXBFFFHZ-CQSZACIVSA-N 0 3 299.418 3.152 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@@H]2CC(C)(C)C)nn1 ZINC000653525161 419042909 /nfs/dbraw/zinc/04/29/09/419042909.db2.gz CTSCDOYMANOLEE-OAHLLOKOSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cc2n(n1)CCCC2 ZINC000655781190 419095690 /nfs/dbraw/zinc/09/56/90/419095690.db2.gz BMICGZXPANCNEK-QGZVFWFLSA-N 0 3 295.430 3.496 20 30 CGEDHN CC[C@H](NCC#Cc1ccc(F)cc1)[C@H]1CCCCO1 ZINC000653875790 419101914 /nfs/dbraw/zinc/10/19/14/419101914.db2.gz ZVRRMMBDEJGZJA-DLBZAZTESA-N 0 3 275.367 3.115 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)C(C)(C)c2ccccc2)nn1 ZINC000653603381 419058526 /nfs/dbraw/zinc/05/85/26/419058526.db2.gz KAORPXCFIGIZEN-HNNXBMFYSA-N 0 3 298.434 3.310 20 30 CGEDHN C=CCCC1(CN[C@@H](C(N)=O)c2ccccc2)CCCC1 ZINC000656679161 419199613 /nfs/dbraw/zinc/19/96/13/419199613.db2.gz FXXIBYQYCYONSY-MRXNPFEDSA-N 0 3 286.419 3.329 20 30 CGEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000661506769 419267617 /nfs/dbraw/zinc/26/76/17/419267617.db2.gz PBLZDZBFIHWRDH-OAHLLOKOSA-N 0 3 295.471 3.247 20 30 CGEDHN C=CCN(CC(=O)N(C)[C@@H](C)c1ccccc1)C(C)(C)C ZINC000661755697 419295406 /nfs/dbraw/zinc/29/54/06/419295406.db2.gz OUBHOCFXUXIFFI-HNNXBMFYSA-N 0 3 288.435 3.493 20 30 CGEDHN C=CCN(C[C@H]1CN(c2ccccc2)CCO1)C(C)(C)C ZINC000661758248 419295674 /nfs/dbraw/zinc/29/56/74/419295674.db2.gz QEDDKBOPDUAIOB-QGZVFWFLSA-N 0 3 288.435 3.178 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc2n(n1)CCCC2 ZINC000657530784 419299428 /nfs/dbraw/zinc/29/94/28/419299428.db2.gz TWMWTWUHAMQTBM-WMLDXEAASA-N 0 3 273.424 3.444 20 30 CGEDHN C=CCCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000657582987 419309296 /nfs/dbraw/zinc/30/92/96/419309296.db2.gz QVUBDEQALOYIBI-UHFFFAOYSA-N 0 3 288.372 3.205 20 30 CGEDHN C=CCCn1cc(CNCC2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000657589102 419311334 /nfs/dbraw/zinc/31/13/34/419311334.db2.gz FEHZDOYIXYMBFT-ZIAGYGMSSA-N 0 3 276.428 3.016 20 30 CGEDHN C=C(C)CCN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000661942024 419313815 /nfs/dbraw/zinc/31/38/15/419313815.db2.gz TZQHFEBLAUSRAG-ZDUSSCGKSA-N 0 3 262.401 3.011 20 30 CGEDHN FC(F)(F)Oc1ccc(C#CCN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661967132 419317034 /nfs/dbraw/zinc/31/70/34/419317034.db2.gz BQKRCGAVAKYOIK-ZIAGYGMSSA-N 0 3 295.304 3.279 20 30 CGEDHN C=CCOCCCNCc1cn(-c2cccc(C)c2)nc1C ZINC000657658769 419320422 /nfs/dbraw/zinc/32/04/22/419320422.db2.gz DNJWWMDKDQYKOR-UHFFFAOYSA-N 0 3 299.418 3.171 20 30 CGEDHN CSCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356120606 228129284 /nfs/dbraw/zinc/12/92/84/228129284.db2.gz HVSBVNPARBVQLO-UHFFFAOYSA-N 0 3 288.338 3.372 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCC1=CCCCC1 ZINC000662081545 419333963 /nfs/dbraw/zinc/33/39/63/419333963.db2.gz UQRPEHOGOPELMR-CALCHBBNSA-N 0 3 288.435 3.176 20 30 CGEDHN Cc1c2ccccc2n(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000336233011 228218489 /nfs/dbraw/zinc/21/84/89/228218489.db2.gz YQAVLKBZZHRESA-UONOGXRCSA-N 0 3 267.376 3.269 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000662631845 419469677 /nfs/dbraw/zinc/46/96/77/419469677.db2.gz ZAZFOZRAGPXPLX-HZPDHXFCSA-N 0 3 278.440 3.099 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000662953668 419511779 /nfs/dbraw/zinc/51/17/79/419511779.db2.gz OEGUBJRNPPYXLJ-ZFWWWQNUSA-N 0 3 274.408 3.184 20 30 CGEDHN C=CCOCCCN[C@@H](c1ccc(F)cn1)C(C)C ZINC000658209197 419660172 /nfs/dbraw/zinc/66/01/72/419660172.db2.gz DZFTVJBXKGDXNQ-OAHLLOKOSA-N 0 3 266.360 3.100 20 30 CGEDHN C=CCCC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000363349190 260113759 /nfs/dbraw/zinc/11/37/59/260113759.db2.gz NWTIPSVBAWNXME-INIZCTEOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](CC)c1ccccc1F ZINC000320353627 260126423 /nfs/dbraw/zinc/12/64/23/260126423.db2.gz FZEZLFPNAMXNCL-DOMZBBRYSA-N 0 3 251.345 3.194 20 30 CGEDHN CC#CCNC1(c2ccc(Br)cc2)CCC1 ZINC000309613485 260180912 /nfs/dbraw/zinc/18/09/12/260180912.db2.gz NDBZRLMKOFGEPT-UHFFFAOYSA-N 0 3 278.193 3.441 20 30 CGEDHN C=CC[C@H](CO)CNCc1cc2ccccc2cc1OC ZINC000449208415 260295071 /nfs/dbraw/zinc/29/50/71/260295071.db2.gz SLMKCOJZPKQEKD-AWEZNQCLSA-N 0 3 285.387 3.123 20 30 CGEDHN C=C(C)CNCc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000119616086 260630491 /nfs/dbraw/zinc/63/04/91/260630491.db2.gz NXCOEMQNDLBNGE-UHFFFAOYSA-N 0 3 291.345 3.433 20 30 CGEDHN CC(C)(C)[C@@H]1CN(CC(C)(C)CCC#N)CCO1 ZINC000448364078 261128018 /nfs/dbraw/zinc/12/80/18/261128018.db2.gz SNMVDWPIIOQKBJ-ZDUSSCGKSA-N 0 3 252.402 3.063 20 30 CGEDHN C=CCOCCN[C@H]1CCCOc2ccc(C)cc21 ZINC000368430740 261250682 /nfs/dbraw/zinc/25/06/82/261250682.db2.gz YXAJGCKJYSPOIV-HNNXBMFYSA-N 0 3 261.365 3.001 20 30 CGEDHN Cc1cc(C)c2c(c1)CN(CCCSCC#N)CC2 ZINC000186718028 262106446 /nfs/dbraw/zinc/10/64/46/262106446.db2.gz ITPGPRLPNUKLPI-UHFFFAOYSA-N 0 3 274.433 3.308 20 30 CGEDHN C=CC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000111256916 262257948 /nfs/dbraw/zinc/25/79/48/262257948.db2.gz CYIXRQLIPUBCLZ-UHFFFAOYSA-N 0 3 260.337 3.301 20 30 CGEDHN C[C@H]1C[C@@]1(NCCOCCC#N)c1ccc(Cl)cc1 ZINC000339157806 262605274 /nfs/dbraw/zinc/60/52/74/262605274.db2.gz VBBUYSMWZMMZKB-WFASDCNBSA-N 0 3 278.783 3.095 20 30 CGEDHN C=CCN(Cc1ccnc(N)c1)CC1CCCCC1 ZINC000411252643 262685770 /nfs/dbraw/zinc/68/57/70/262685770.db2.gz BSJGSDNGARLWAJ-UHFFFAOYSA-N 0 3 259.397 3.062 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ccc(C(=O)OC)o1 ZINC000414533949 262985210 /nfs/dbraw/zinc/98/52/10/262985210.db2.gz JHPFRXSYAZRBJJ-OAHLLOKOSA-N 0 3 299.370 3.343 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCN2CCCCCC2)c1 ZINC000272463574 263004831 /nfs/dbraw/zinc/00/48/31/263004831.db2.gz HLROQXXATQZHQO-UHFFFAOYSA-N 0 3 285.391 3.049 20 30 CGEDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCCC#N ZINC000273281626 263014650 /nfs/dbraw/zinc/01/46/50/263014650.db2.gz QMFDHWRKJQKVTD-LBPRGKRZSA-N 0 3 293.392 3.359 20 30 CGEDHN N#CCCCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000273309230 263015248 /nfs/dbraw/zinc/01/52/48/263015248.db2.gz WFAVGMINXUGPGJ-CYBMUJFWSA-N 0 3 284.281 3.466 20 30 CGEDHN COc1ccc(OC)c([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000274611816 263027699 /nfs/dbraw/zinc/02/76/99/263027699.db2.gz KIWUTTHAFOEKFU-XQQFMLRXSA-N 0 3 274.364 3.047 20 30 CGEDHN Cc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1[N+](=O)[O-] ZINC000276344125 263036398 /nfs/dbraw/zinc/03/63/98/263036398.db2.gz USVQWHMZQZRYBV-RYUDHWBXSA-N 0 3 261.325 3.246 20 30 CGEDHN N#CCC[C@@H](NC[C@@H]1CCSC1)c1ccccc1 ZINC000278569996 263049067 /nfs/dbraw/zinc/04/90/67/263049067.db2.gz XGWIHBWADFPDRY-DZGCQCFKSA-N 0 3 260.406 3.374 20 30 CGEDHN COCC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(C)o1 ZINC000278773806 263050874 /nfs/dbraw/zinc/05/08/74/263050874.db2.gz PHVABFGEAMQSQV-KKUMJFAQSA-N 0 3 276.380 3.338 20 30 CGEDHN C=CCCCCCN1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366594614 263067999 /nfs/dbraw/zinc/06/79/99/263067999.db2.gz SQVMTSATKSNIOE-HZPDHXFCSA-N 0 3 267.413 3.003 20 30 CGEDHN C[C@H](c1ccco1)N(C)CCCC1(C#N)CCOCC1 ZINC000282076573 263074270 /nfs/dbraw/zinc/07/42/70/263074270.db2.gz TZRVALTYWGOWAE-CQSZACIVSA-N 0 3 276.380 3.373 20 30 CGEDHN N#CCSCCCN1CCC=C(c2ccccc2)C1 ZINC000283934157 263085093 /nfs/dbraw/zinc/08/50/93/263085093.db2.gz AZADOFWDXRKYRW-UHFFFAOYSA-N 0 3 272.417 3.423 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000289493290 263110694 /nfs/dbraw/zinc/11/06/94/263110694.db2.gz BRBPUKJZJWWAPX-SWLSCSKDSA-N 0 3 290.407 3.225 20 30 CGEDHN CC(C)(C#N)CCN[C@H](c1cccs1)C(C)(C)CO ZINC000289612453 263111108 /nfs/dbraw/zinc/11/11/08/263111108.db2.gz FBRNMJJWPCITDO-CYBMUJFWSA-N 0 3 280.437 3.337 20 30 CGEDHN C[C@]1(CN[C@@H]2CCC[C@H](C#N)C2)OCCc2sccc21 ZINC000289735778 263111736 /nfs/dbraw/zinc/11/17/36/263111736.db2.gz KGUYKPYLROPTGY-WOSRLPQWSA-N 0 3 290.432 3.208 20 30 CGEDHN CC(C)O[C@@H](CN1CCC(C#N)CC1)c1ccccc1 ZINC000292157145 263129181 /nfs/dbraw/zinc/12/91/81/263129181.db2.gz KCUCJFHKRCJZHV-KRWDZBQOSA-N 0 3 272.392 3.388 20 30 CGEDHN CC(C)N(CCOCCC#N)Cc1cccc(Cl)c1 ZINC000293676505 263146641 /nfs/dbraw/zinc/14/66/41/263146641.db2.gz ZVVWQHPXVFEDFI-UHFFFAOYSA-N 0 3 280.799 3.481 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(N3CCc4ccccc43)CC2)C1 ZINC000294194046 263157488 /nfs/dbraw/zinc/15/74/88/263157488.db2.gz RDCXUTXWUXHEPZ-CRAIPNDOSA-N 0 3 295.430 3.206 20 30 CGEDHN N#CCCCCNCc1cccc(F)c1Br ZINC000295245203 263175021 /nfs/dbraw/zinc/17/50/21/263175021.db2.gz TUNZBMCUJMRFJG-UHFFFAOYSA-N 0 3 285.160 3.372 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000298031793 263214397 /nfs/dbraw/zinc/21/43/97/263214397.db2.gz CFZMDYCARHIFIJ-JTNHKYCSSA-N 0 3 264.394 3.032 20 30 CGEDHN C=CCCC[C@H](C)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000340893502 263312581 /nfs/dbraw/zinc/31/25/81/263312581.db2.gz KXVQCDSHWSKCQS-NWDGAFQWSA-N 0 3 265.319 3.120 20 30 CGEDHN C=CCN(CCSCC)Cc1ccc(OC)cc1 ZINC000340947926 263313609 /nfs/dbraw/zinc/31/36/09/263313609.db2.gz JFRHWURHIRSOCO-UHFFFAOYSA-N 0 3 265.422 3.436 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000341592880 263343882 /nfs/dbraw/zinc/34/38/82/263343882.db2.gz LGVCRUWNCZCRJK-AWEZNQCLSA-N 0 3 293.407 3.337 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000341950698 263368002 /nfs/dbraw/zinc/36/80/02/263368002.db2.gz XSEMGAJSRDIRFB-WFASDCNBSA-N 0 3 288.391 3.413 20 30 CGEDHN CCc1nc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)co1 ZINC000330844039 264066449 /nfs/dbraw/zinc/06/64/49/264066449.db2.gz OEMQKFVIMZOLLC-LBPRGKRZSA-N 0 3 293.411 3.052 20 30 CGEDHN C=CC[C@@H](C)NCc1nc2ccc(OC)cc2s1 ZINC000353767804 264229797 /nfs/dbraw/zinc/22/97/97/264229797.db2.gz MXJACJBGMBWFGQ-SNVBAGLBSA-N 0 3 262.378 3.359 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H](OC)C1CC1 ZINC000425397848 264276858 /nfs/dbraw/zinc/27/68/58/264276858.db2.gz MTABGIXOTWQJPN-QGZVFWFLSA-N 0 3 259.393 3.142 20 30 CGEDHN C=CCCCCCN(C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425413968 264292089 /nfs/dbraw/zinc/29/20/89/264292089.db2.gz FHOYAUGXYBJRMR-AWEZNQCLSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)C1CCCCC1 ZINC000475328504 264304997 /nfs/dbraw/zinc/30/49/97/264304997.db2.gz CGNWQRLVNKWYQH-QGZVFWFLSA-N 0 3 277.408 3.251 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000185210909 265003768 /nfs/dbraw/zinc/00/37/68/265003768.db2.gz JOSJSBQILWLLFU-QGZVFWFLSA-N 0 3 288.435 3.473 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(F)cc1C(F)(F)F ZINC000320725486 265025776 /nfs/dbraw/zinc/02/57/76/265025776.db2.gz JHFIJGCSHQXKOE-LBPRGKRZSA-N 0 3 291.288 3.261 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CC)c1ccc(C)cc1 ZINC000356948253 266216673 /nfs/dbraw/zinc/21/66/73/266216673.db2.gz MYLHKVNHLGSDJS-KRWDZBQOSA-N 0 3 288.435 3.460 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000356960389 266219923 /nfs/dbraw/zinc/21/99/23/266219923.db2.gz IYKPZRHFIFMBCW-KGLIPLIRSA-N 0 3 257.381 3.333 20 30 CGEDHN CC(C)C1(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000357208681 266266882 /nfs/dbraw/zinc/26/68/82/266266882.db2.gz VWOQFLHPUIBRPT-OAHLLOKOSA-N 0 3 270.376 3.064 20 30 CGEDHN CC(C#N)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000357804865 266367088 /nfs/dbraw/zinc/36/70/88/266367088.db2.gz RJTWAEOAZJBROG-RHSMWYFYSA-N 0 3 278.355 3.246 20 30 CGEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CCC1 ZINC000358497071 266469492 /nfs/dbraw/zinc/46/94/92/266469492.db2.gz NTKUKAZXZRNLII-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN COc1cccc([C@H](CNCc2cccc(C#N)c2)OC)c1 ZINC000527740497 270133544 /nfs/dbraw/zinc/13/35/44/270133544.db2.gz SYUXGCJHWNIPOV-SFHVURJKSA-N 0 3 296.370 3.044 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1CCC(C)C ZINC000362959186 267067665 /nfs/dbraw/zinc/06/76/65/267067665.db2.gz VPIOUGFUFUOGOL-INIZCTEOSA-N 0 3 278.440 3.088 20 30 CGEDHN CC(C)(C#N)CCCN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000368070367 267143400 /nfs/dbraw/zinc/14/34/00/267143400.db2.gz CPSPWWVMSSHDKS-KGLIPLIRSA-N 0 3 264.413 3.206 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000368625701 267192380 /nfs/dbraw/zinc/19/23/80/267192380.db2.gz QRXCOJBVIBTWFQ-DLBZAZTESA-N 0 3 285.435 3.321 20 30 CGEDHN C=CCCCCCN1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000369534150 267248994 /nfs/dbraw/zinc/24/89/94/267248994.db2.gz YIMHBZNHNIQYDW-CVEARBPZSA-N 0 3 267.413 3.003 20 30 CGEDHN C[C@H](CCc1cccc(F)c1)NCC1(C#N)CCC1 ZINC000418145853 267366529 /nfs/dbraw/zinc/36/65/29/267366529.db2.gz YYLSXXMRUPEICK-CYBMUJFWSA-N 0 3 260.356 3.430 20 30 CGEDHN C=CCCCCCN1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374624079 267804564 /nfs/dbraw/zinc/80/45/64/267804564.db2.gz YAVGNMHFNFSZNC-AWEZNQCLSA-N 0 3 292.427 3.061 20 30 CGEDHN CC(C)(C#N)CCCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375431812 267859661 /nfs/dbraw/zinc/85/96/61/267859661.db2.gz SOIMRVCSFHYNPD-ZDUSSCGKSA-N 0 3 288.395 3.066 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@H]2CCN2C2CCCCC2)n1 ZINC000528117355 268028946 /nfs/dbraw/zinc/02/89/46/268028946.db2.gz YOVBVLXANRPNQN-MRXNPFEDSA-N 0 3 284.407 3.081 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000120918752 276364505 /nfs/dbraw/zinc/36/45/05/276364505.db2.gz YMKUQGRPGBHLOE-IRXDYDNUSA-N 0 3 284.403 3.338 20 30 CGEDHN COc1cccc2c1CCN(Cc1ccc(C#N)s1)CC2 ZINC000194571530 278029375 /nfs/dbraw/zinc/02/93/75/278029375.db2.gz DAWXFPFFRNLBER-UHFFFAOYSA-N 0 3 298.411 3.229 20 30 CGEDHN CC[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(C#N)cc1 ZINC000282523561 288090002 /nfs/dbraw/zinc/09/00/02/288090002.db2.gz UVCBZYBWPVZCSW-IRXDYDNUSA-N 0 3 294.402 3.410 20 30 CGEDHN C[C@H]1CC[C@H](C)N1Cc1cn2ccccc2c1C#N ZINC000123221845 279754919 /nfs/dbraw/zinc/75/49/19/279754919.db2.gz KJVIDNPFMPEFQJ-STQMWFEESA-N 0 3 253.349 3.184 20 30 CGEDHN COCC1(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000555418125 289343781 /nfs/dbraw/zinc/34/37/81/289343781.db2.gz KXEJIMGCIMBATN-MRXNPFEDSA-N 0 3 270.376 3.094 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)CC(C)C ZINC000417360089 294459732 /nfs/dbraw/zinc/45/97/32/294459732.db2.gz JKEILNBFBJXYPA-CJNGLKHVSA-N 0 3 260.381 3.270 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000185898582 327850332 /nfs/dbraw/zinc/85/03/32/327850332.db2.gz JQHSAZUQVFHWGB-NHYWBVRUSA-N 0 3 290.794 3.447 20 30 CGEDHN C=CC[C@H](CC)NCc1cc(C(=O)OC)c(CC)o1 ZINC000338951504 327993249 /nfs/dbraw/zinc/99/32/49/327993249.db2.gz IOLSZKHTMDDCBC-NSHDSACASA-N 0 3 265.353 3.073 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC(c2ccccc2F)CC1 ZINC000531868086 328052622 /nfs/dbraw/zinc/05/26/22/328052622.db2.gz SMKSCHAWSWSIOP-OAHLLOKOSA-N 0 3 277.383 3.332 20 30 CGEDHN C=CCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000571578681 328135117 /nfs/dbraw/zinc/13/51/17/328135117.db2.gz VMHZQYWYRYXUDV-KRWDZBQOSA-N 0 3 295.386 3.103 20 30 CGEDHN C[C@H](NCCCSCC#N)c1c(F)cccc1F ZINC000271839516 328197875 /nfs/dbraw/zinc/19/78/75/328197875.db2.gz YFLFPQFJMLQTLU-JTQLQIEISA-N 0 3 270.348 3.262 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000278527820 328226260 /nfs/dbraw/zinc/22/62/60/328226260.db2.gz DMQREWCPHJNOLC-PBHICJAKSA-N 0 3 282.387 3.274 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc([S@@](C)=O)cc1 ZINC000278863265 328231471 /nfs/dbraw/zinc/23/14/71/328231471.db2.gz WMSBNSPLFYNTPT-ZEEWZRGFSA-N 0 3 290.432 3.157 20 30 CGEDHN CC[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565049362 322057021 /nfs/dbraw/zinc/05/70/21/322057021.db2.gz PDIRADXJWKTBAB-QWHCGFSZSA-N 0 3 287.363 3.477 20 30 CGEDHN CC1(C)CCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567988789 322186875 /nfs/dbraw/zinc/18/68/75/322186875.db2.gz OLDUSHSQGMWLBP-AWEZNQCLSA-N 0 3 273.336 3.135 20 30 CGEDHN Cc1ccnc([C@H]2CCN(Cc3cccc(C#N)c3)C2)c1 ZINC000570580558 322277069 /nfs/dbraw/zinc/27/70/69/322277069.db2.gz ZREGNPXKBNJHAL-KRWDZBQOSA-N 0 3 277.371 3.251 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)cn1 ZINC000572375168 322333915 /nfs/dbraw/zinc/33/39/15/322333915.db2.gz JJVRZJZEFSLZIQ-RHSMWYFYSA-N 0 3 277.371 3.331 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000303577911 328354096 /nfs/dbraw/zinc/35/40/96/328354096.db2.gz OCGPGJCKLGVDFF-GOSISDBHSA-N 0 3 290.451 3.233 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1ccc(C(=O)OC)o1 ZINC000557885804 327033894 /nfs/dbraw/zinc/03/38/94/327033894.db2.gz BWEZVQNKHMLFDQ-GFCCVEGCSA-N 0 3 265.353 3.291 20 30 CGEDHN COc1ccccc1CN(CCCSCC#N)C1CC1 ZINC000074981971 327122686 /nfs/dbraw/zinc/12/26/86/327122686.db2.gz NWXORVFFHVXBKG-UHFFFAOYSA-N 0 3 290.432 3.306 20 30 CGEDHN CCc1ccc(N2CCN(CCCCC#N)CC2)cc1 ZINC000076060724 327128711 /nfs/dbraw/zinc/12/87/11/327128711.db2.gz BUDFVTNAWYYVPR-UHFFFAOYSA-N 0 3 271.408 3.065 20 30 CGEDHN COc1ccc2c(c1)CCCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000559070811 327139953 /nfs/dbraw/zinc/13/99/53/327139953.db2.gz GCQFWECGYUOFPJ-XJKSGUPXSA-N 0 3 270.376 3.136 20 30 CGEDHN Cc1cc(OCCCC2(C#N)CCOCC2)c(C)c(C)n1 ZINC000569378710 327170610 /nfs/dbraw/zinc/17/06/10/327170610.db2.gz ZIEJMNNOSYPSNC-UHFFFAOYSA-N 0 3 288.391 3.486 20 30 CGEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC1CCCC1 ZINC000150875851 327394549 /nfs/dbraw/zinc/39/45/49/327394549.db2.gz FNACTRGLLMYJRV-CQSZACIVSA-N 0 3 266.429 3.112 20 30 CGEDHN CC(C)(C#N)CCCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377775879 329029087 /nfs/dbraw/zinc/02/90/87/329029087.db2.gz IDUYWQNMBGFPPY-LSDHHAIUSA-N 0 3 276.424 3.350 20 30 CGEDHN COc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000193703658 329061106 /nfs/dbraw/zinc/06/11/06/329061106.db2.gz GEMMYCCTCVNKOP-AWEZNQCLSA-N 0 3 296.370 3.448 20 30 CGEDHN CC[C@@H](C)N1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000582826507 329274746 /nfs/dbraw/zinc/27/47/46/329274746.db2.gz OLAOAIOFUZGEPW-CQSZACIVSA-N 0 3 294.402 3.027 20 30 CGEDHN CC[C@H](C)N1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000582826506 329274805 /nfs/dbraw/zinc/27/48/05/329274805.db2.gz OLAOAIOFUZGEPW-AWEZNQCLSA-N 0 3 294.402 3.027 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000185632660 329328369 /nfs/dbraw/zinc/32/83/69/329328369.db2.gz IECJFLYVXGFOPK-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCCOc2ccc(F)c(F)c2)C1 ZINC000185819213 329329842 /nfs/dbraw/zinc/32/98/42/329329842.db2.gz UINVGMJTLBGVHQ-NEPJUHHUSA-N 0 3 280.318 3.016 20 30 CGEDHN C=CCC1(CNCc2cc(COC)on2)CCCC1 ZINC000459578808 329335540 /nfs/dbraw/zinc/33/55/40/329335540.db2.gz XXCUBPMMCVJDEF-UHFFFAOYSA-N 0 3 264.369 3.047 20 30 CGEDHN CCOc1ccccc1OCCN1CCC(CC#N)CC1 ZINC000397184838 329346237 /nfs/dbraw/zinc/34/62/37/329346237.db2.gz ZULXDZFVJUDULB-UHFFFAOYSA-N 0 3 288.391 3.090 20 30 CGEDHN C=CCCCCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000584538164 329518023 /nfs/dbraw/zinc/51/80/23/329518023.db2.gz IATTXUHJBJJYQU-OAHLLOKOSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CCCN(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418492074 329532509 /nfs/dbraw/zinc/53/25/09/329532509.db2.gz TZNKNRCVMBMEHE-QGZVFWFLSA-N 0 3 297.402 3.057 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(Cl)cc1OC ZINC000421831552 330090915 /nfs/dbraw/zinc/09/09/15/330090915.db2.gz FFEXWFKBDFMKEA-NWDGAFQWSA-N 0 3 283.799 3.184 20 30 CGEDHN C#CCSCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273443109 330093026 /nfs/dbraw/zinc/09/30/26/330093026.db2.gz DNDAOQWHPAMBLD-ZDUSSCGKSA-N 0 3 263.406 3.026 20 30 CGEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000191295421 330137249 /nfs/dbraw/zinc/13/72/49/330137249.db2.gz TXQNAGSAFMEHRN-XIKOKIGWSA-N 0 3 297.377 3.449 20 30 CGEDHN C[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433113510 330148731 /nfs/dbraw/zinc/14/87/31/330148731.db2.gz CRASHEOBIKMYHS-GOEBONIOSA-N 0 3 270.376 3.160 20 30 CGEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C2CCCCC2)n1 ZINC000424188873 330321980 /nfs/dbraw/zinc/32/19/80/330321980.db2.gz CPLUPFKQDDOZMA-XJKSGUPXSA-N 0 3 286.423 3.250 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000424300452 330337145 /nfs/dbraw/zinc/33/71/45/330337145.db2.gz XQUCCVOOTMOEBH-QZTJIDSGSA-N 0 3 296.418 3.280 20 30 CGEDHN COC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000424335969 330343461 /nfs/dbraw/zinc/34/34/61/330343461.db2.gz XFCDHYWYTGOMLC-NILFDRSVSA-N 0 3 278.783 3.309 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000537023727 330385625 /nfs/dbraw/zinc/38/56/25/330385625.db2.gz KWGRTINVSOQJQJ-HNNXBMFYSA-N 0 3 280.371 3.335 20 30 CGEDHN Cc1nc(-c2ccc(CN[C@@H]3CC[C@H](C#N)C3)o2)cs1 ZINC000442640113 330777868 /nfs/dbraw/zinc/77/78/68/330777868.db2.gz AWOSVGNXMJXALX-NWDGAFQWSA-N 0 3 287.388 3.493 20 30 CGEDHN Cc1ccc(-c2nc(CCN[C@@H]3CC[C@@H](C#N)C3)co2)cc1 ZINC000442799406 330784573 /nfs/dbraw/zinc/78/45/73/330784573.db2.gz YBNYCUZSEMTZLX-GDBMZVCRSA-N 0 3 295.386 3.474 20 30 CGEDHN C[C@H](CNCC(C)(C)C#N)c1cc(F)cc(F)c1 ZINC000449240998 330909051 /nfs/dbraw/zinc/90/90/51/330909051.db2.gz QKLHDUFIFFIUEN-SNVBAGLBSA-N 0 3 252.308 3.208 20 30 CGEDHN C=C(CC)CNCc1cnc2ccc(Br)cn12 ZINC000449730512 330946008 /nfs/dbraw/zinc/94/60/08/330946008.db2.gz FFYQPCBENPXCEP-UHFFFAOYSA-N 0 3 294.196 3.153 20 30 CGEDHN CCc1ccc2nccc(NCC3(CC#N)CC3)c2c1 ZINC000450502532 330984098 /nfs/dbraw/zinc/98/40/98/330984098.db2.gz PWWFLJIUOBMKJC-UHFFFAOYSA-N 0 3 265.360 3.325 20 30 CGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC2(C#N)CCC2)C1 ZINC000450895835 331005632 /nfs/dbraw/zinc/00/56/32/331005632.db2.gz LZTQVYNYXDDETC-QZWWFDLISA-N 0 3 290.451 3.332 20 30 CGEDHN CCCCO[C@H]1C[C@H](NCC2(C#N)CCC2)C1(C)C ZINC000450968271 331009199 /nfs/dbraw/zinc/00/91/99/331009199.db2.gz JNYBPNDDDWJHFK-KBPBESRZSA-N 0 3 264.413 3.254 20 30 CGEDHN CO[C@@H]1CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000451625776 331037275 /nfs/dbraw/zinc/03/72/75/331037275.db2.gz YDBHVLRYEMKEOX-HUUCEWRRSA-N 0 3 297.320 3.214 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452341831 331062820 /nfs/dbraw/zinc/06/28/20/331062820.db2.gz FUAFOHSQJKNKOC-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1csc(Cl)c1 ZINC000453352562 331120825 /nfs/dbraw/zinc/12/08/25/331120825.db2.gz JOWHPKKUPVEJKC-IEBDPFPHSA-N 0 3 257.786 3.396 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453367546 331123396 /nfs/dbraw/zinc/12/33/96/331123396.db2.gz UDAXGUSCLLTTRX-BJJXKVORSA-N 0 3 290.363 3.287 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2=CCC(C)(C)CC2)CC1 ZINC000455492371 331170898 /nfs/dbraw/zinc/17/08/98/331170898.db2.gz VUXCFRVGHDZSAS-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN CC#CCCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673458 331293538 /nfs/dbraw/zinc/29/35/38/331293538.db2.gz YYXVKMBFDDEYKI-CYBMUJFWSA-N 0 3 289.341 3.081 20 30 CGEDHN CO[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C12CCC2 ZINC000459781169 331300668 /nfs/dbraw/zinc/30/06/68/331300668.db2.gz YKRSJCXKRUNFSB-CVEARBPZSA-N 0 3 289.806 3.239 20 30 CGEDHN CC#CCCN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000462324213 331319723 /nfs/dbraw/zinc/31/97/23/331319723.db2.gz FCLMWAAEMPCHNS-IBGZPJMESA-N 0 3 285.431 3.432 20 30 CGEDHN CC#CCCN1CCN(c2ccccc2)C[C@@H]1CC ZINC000462444948 331322081 /nfs/dbraw/zinc/32/20/81/331322081.db2.gz AUPAYWLTHLIQNU-INIZCTEOSA-N 0 3 256.393 3.001 20 30 CGEDHN C=CCSCCNCc1c(F)cccc1CC ZINC000474725444 331596280 /nfs/dbraw/zinc/59/62/80/331596280.db2.gz YUWHRCAVYPIWDV-UHFFFAOYSA-N 0 3 253.386 3.397 20 30 CGEDHN Cc1ccccc1CCCN1CCC(F)(C#N)CC1 ZINC000510874048 332919428 /nfs/dbraw/zinc/91/94/28/332919428.db2.gz XGIJGYVPIFPVSG-UHFFFAOYSA-N 0 3 260.356 3.255 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1ncc(C)c(C)n1)C(C)C ZINC000484837509 331905937 /nfs/dbraw/zinc/90/59/37/331905937.db2.gz SEASUYFADKULOF-INIZCTEOSA-N 0 3 288.439 3.204 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490038041 332077938 /nfs/dbraw/zinc/07/79/38/332077938.db2.gz TYPIWHZDKZQIMN-JKSUJKDBSA-N 0 3 297.826 3.286 20 30 CGEDHN C#C[C@H](C)N(C)C/C(C)=C\c1ccccc1COC ZINC000491072553 332146860 /nfs/dbraw/zinc/14/68/60/332146860.db2.gz STDGVNFDLMIGQO-SZGZABIGSA-N 0 3 257.377 3.190 20 30 CGEDHN C=C(C)COc1cc(CN[C@@H](C)COCC)ccc1OC ZINC000494231730 332467259 /nfs/dbraw/zinc/46/72/59/332467259.db2.gz VCHVGOZKMSSSEV-AWEZNQCLSA-N 0 3 293.407 3.165 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000553709267 334396087 /nfs/dbraw/zinc/39/60/87/334396087.db2.gz BEWGXOFGBUYPOY-WFASDCNBSA-N 0 3 294.826 3.317 20 30 CGEDHN C=CCC[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1F ZINC000499939748 332596076 /nfs/dbraw/zinc/59/60/76/332596076.db2.gz NTYFVSNKDZLQNK-MFKMUULPSA-N 0 3 271.763 3.457 20 30 CGEDHN CCC(CC)CN(CCC#N)CC[C@H]1CCCO1 ZINC000189499585 333193779 /nfs/dbraw/zinc/19/37/79/333193779.db2.gz KHCXASGEXMFEJW-OAHLLOKOSA-N 0 3 252.402 3.207 20 30 CGEDHN C=C(C)CN(C)Cc1cccc(Br)c1 ZINC000195546198 333255495 /nfs/dbraw/zinc/25/54/95/333255495.db2.gz LTYNRIXITZKRAR-UHFFFAOYSA-N 0 3 254.171 3.457 20 30 CGEDHN C=CCCOCCNCc1ccc(Br)c(C)c1 ZINC000229879658 333310560 /nfs/dbraw/zinc/31/05/60/333310560.db2.gz RXNUDJAPOUCCIS-UHFFFAOYSA-N 0 3 298.224 3.440 20 30 CGEDHN C=C1CCN(C[C@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528384997 333432807 /nfs/dbraw/zinc/43/28/07/333432807.db2.gz ZFJJJNJZHULUAF-INIZCTEOSA-N 0 3 263.356 3.035 20 30 CGEDHN Cc1cccnc1[C@@H]1CCC[C@H](NC[C@@H](C)C#N)C1 ZINC000545984815 334010594 /nfs/dbraw/zinc/01/05/94/334010594.db2.gz XCFNMDLNBREFON-CFVMTHIKSA-N 0 3 257.381 3.166 20 30 CGEDHN C=CCOc1ccc(CN(CC)C2CC2)cc1OC ZINC000133317947 334037566 /nfs/dbraw/zinc/03/75/66/334037566.db2.gz YGYZEQIBTQKVAA-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN C=CCOc1ccccc1CNCCNc1cccc(C)n1 ZINC000133482173 334042541 /nfs/dbraw/zinc/04/25/41/334042541.db2.gz SHTYBYCDXYOPQM-UHFFFAOYSA-N 0 3 297.402 3.157 20 30 CGEDHN C=C(C)CN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134005312 334076997 /nfs/dbraw/zinc/07/69/97/334076997.db2.gz BQVJAPHVAVIKLD-KBPBESRZSA-N 0 3 282.428 3.188 20 30 CGEDHN C=C(C)COCCNCc1ccc(SC)c(OC)c1 ZINC000134502753 334092302 /nfs/dbraw/zinc/09/23/02/334092302.db2.gz ICJXRJBWBKNDGV-UHFFFAOYSA-N 0 3 281.421 3.099 20 30 CGEDHN C=C(C)CN(CCOC[C@H]1CCCO1)Cc1ccccc1 ZINC000548425540 334155566 /nfs/dbraw/zinc/15/55/66/334155566.db2.gz OOCXKWBJXCBXOZ-GOSISDBHSA-N 0 3 289.419 3.260 20 30 CGEDHN CCC(CC)(CCO)NCC#Cc1ccccc1Cl ZINC000549186945 334187343 /nfs/dbraw/zinc/18/73/43/334187343.db2.gz AHARBFIYONHYIA-UHFFFAOYSA-N 0 3 279.811 3.222 20 30 CGEDHN C=CCC[C@H](NCCC(=O)Nc1ccccn1)c1ccco1 ZINC000552252375 334308976 /nfs/dbraw/zinc/30/89/76/334308976.db2.gz KWZBJINQERPKBM-AWEZNQCLSA-N 0 3 299.374 3.300 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CCCO)c2ccccc2)C1 ZINC000248747916 334315680 /nfs/dbraw/zinc/31/56/80/334315680.db2.gz BKICDQNNIANIJD-OIISXLGYSA-N 0 3 272.392 3.172 20 30 CGEDHN C[C@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576758717 335244507 /nfs/dbraw/zinc/24/45/07/335244507.db2.gz DUPGLAZBFFGRHT-SWLSCSKDSA-N 0 3 287.363 3.477 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCCC2)CCCCC1 ZINC000577339062 335340246 /nfs/dbraw/zinc/34/02/46/335340246.db2.gz MHBLPOXKMQSLPG-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN N#Cc1ccc(CNCCOc2cccc(Cl)c2)s1 ZINC000176952762 335342655 /nfs/dbraw/zinc/34/26/55/335342655.db2.gz JCIGIECGMQJKIF-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](CC)c1ccccc1OCC ZINC000179748127 335514140 /nfs/dbraw/zinc/51/41/40/335514140.db2.gz FYAWUFXSJJXHIQ-GOEBONIOSA-N 0 3 277.408 3.453 20 30 CGEDHN C=CCCCCNCc1cn2cc(Cl)ccc2n1 ZINC000381198650 336054786 /nfs/dbraw/zinc/05/47/86/336054786.db2.gz ODWGQQZSRMOZIG-UHFFFAOYSA-N 0 3 263.772 3.434 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](OC)[C@H](C)CC)cc1 ZINC000381227757 336055663 /nfs/dbraw/zinc/05/56/63/336055663.db2.gz ABJOWTNJIJWIRA-PBHICJAKSA-N 0 3 277.408 3.402 20 30 CGEDHN Cc1ccccc1[C@H](CO)NCCC1(C#N)CCCCC1 ZINC000581415608 336072992 /nfs/dbraw/zinc/07/29/92/336072992.db2.gz PMBBTSRLPWGERP-KRWDZBQOSA-N 0 3 286.419 3.482 20 30 CGEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000358878763 533830625 /nfs/dbraw/zinc/83/06/25/533830625.db2.gz VFQVOYSMTOXUNT-NEPJUHHUSA-N 0 3 292.814 3.139 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000334681288 534283830 /nfs/dbraw/zinc/28/38/30/534283830.db2.gz LDKUZSLWAPAKAX-NEPJUHHUSA-N 0 3 252.317 3.177 20 30 CGEDHN COc1ccc(CN[C@H]2CCc3ccccc32)cc1C#N ZINC000087822553 524093389 /nfs/dbraw/zinc/09/33/89/524093389.db2.gz KDTGZPODINYNLE-KRWDZBQOSA-N 0 3 278.355 3.344 20 30 CGEDHN N#Cc1c(CN2C[C@@H]3CCCC[C@H]3C2)cn2ccccc12 ZINC000426829598 534762120 /nfs/dbraw/zinc/76/21/20/534762120.db2.gz QEWVUEULBUZQOG-GJZGRUSLSA-N 0 3 279.387 3.433 20 30 CGEDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(C#N)c1 ZINC000037233640 525445065 /nfs/dbraw/zinc/44/50/65/525445065.db2.gz XIDZLNOXDUTVIW-AWEZNQCLSA-N 0 3 279.387 3.475 20 30 CGEDHN Cc1nc(C)c(CNC(=O)[C@H]2CCCN2C2CCCC2)o1 ZINC000329162043 534881462 /nfs/dbraw/zinc/88/14/62/534881462.db2.gz FWKWACBDEBLQHR-CQSZACIVSA-N 0 3 291.395 3.155 20 30 CGEDHN C=CCN1CC[C@H](N2C[C@@H](C)CC[C@H]2c2ccccc2)C1=O ZINC000352801906 526511850 /nfs/dbraw/zinc/51/18/50/526511850.db2.gz UJQUSHIWIIZBHI-SZMVWBNQSA-N 0 3 298.430 3.247 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OCc2nccn2C)cc1 ZINC000114712521 526547584 /nfs/dbraw/zinc/54/75/84/526547584.db2.gz JRHOCZSJTPEMHS-UHFFFAOYSA-N 0 3 299.418 3.397 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2OC(F)F)cc1 ZINC000337275950 526626963 /nfs/dbraw/zinc/62/69/63/526626963.db2.gz GEVBLSZLYGHSDM-KBPBESRZSA-N 0 3 280.318 3.198 20 30 CGEDHN C=CCOCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000347961088 526757415 /nfs/dbraw/zinc/75/74/15/526757415.db2.gz GJIZXRUABDHECC-UHFFFAOYSA-N 0 3 294.826 3.055 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](CC)C2)cc1OC ZINC000355080188 526870837 /nfs/dbraw/zinc/87/08/37/526870837.db2.gz MDQMKFIHCLOXAR-CQSZACIVSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CCOc1ccc(CN2CCSC[C@H]2C)cc1 ZINC000353497145 526872311 /nfs/dbraw/zinc/87/23/11/526872311.db2.gz CWKLMGHYUOZSTF-CYBMUJFWSA-N 0 3 263.406 3.189 20 30 CGEDHN C=C1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000351697423 526904258 /nfs/dbraw/zinc/90/42/58/526904258.db2.gz WNFHYBRQTNJEFQ-SFHVURJKSA-N 0 3 287.403 3.396 20 30 CGEDHN C=CCCCN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000344602529 527201389 /nfs/dbraw/zinc/20/13/89/527201389.db2.gz PLPPBNNUABUULP-GOSISDBHSA-N 0 3 298.430 3.002 20 30 CGEDHN C=CCCCN[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000344602804 527234854 /nfs/dbraw/zinc/23/48/54/527234854.db2.gz RTKKYSZEDXOTJY-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CCCC[C@@H](C)N1CCOc2cc(O)ccc2C1 ZINC000353151603 527251266 /nfs/dbraw/zinc/25/12/66/527251266.db2.gz FVKXRNQRKAMIQG-CYBMUJFWSA-N 0 3 261.365 3.331 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCn2ccnc2C1)c1ccco1 ZINC000353675724 527451468 /nfs/dbraw/zinc/45/14/68/527451468.db2.gz WCYQMMHEOSYTDB-ZIAGYGMSSA-N 0 3 271.364 3.088 20 30 CGEDHN CCC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCCCC1 ZINC000357945090 527751772 /nfs/dbraw/zinc/75/17/72/527751772.db2.gz DRNOSSNNCHRAIU-MRXNPFEDSA-N 0 3 299.418 3.035 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1Cl)CC(C)(C)O ZINC000439452316 528135309 /nfs/dbraw/zinc/13/53/09/528135309.db2.gz NWAFGDNLXXYXDC-UHFFFAOYSA-N 0 3 280.799 3.195 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cccc(C#N)c1F ZINC000360708674 528606516 /nfs/dbraw/zinc/60/65/16/528606516.db2.gz WHBAEAQBJCBILV-JKSUJKDBSA-N 0 3 290.382 3.381 20 30 CGEDHN CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000440657312 528967124 /nfs/dbraw/zinc/96/71/24/528967124.db2.gz FLQYDSRTJIWPIN-UHFFFAOYSA-N 0 3 296.374 3.371 20 30 CGEDHN C=CCCOC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000729073170 571864943 /nfs/dbraw/zinc/86/49/43/571864943.db2.gz AXYIMROKDJIQNY-UHFFFAOYSA-N 0 3 273.376 3.405 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000740876516 571890859 /nfs/dbraw/zinc/89/08/59/571890859.db2.gz XJUYUYOXNIIPMA-OAHLLOKOSA-N 0 3 268.445 3.193 20 30 CGEDHN C#CCN(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000731032539 572392524 /nfs/dbraw/zinc/39/25/24/572392524.db2.gz KDBSBGXMOMTQSA-UHFFFAOYSA-N 0 3 299.393 3.494 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000740473348 572442518 /nfs/dbraw/zinc/44/25/18/572442518.db2.gz KGIXVENFWUCGGJ-MRXNPFEDSA-N 0 3 295.471 3.249 20 30 CGEDHN C=CCCCOC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000741325187 572493606 /nfs/dbraw/zinc/49/36/06/572493606.db2.gz HAWSIDDFIVODDZ-QGZVFWFLSA-N 0 3 287.403 3.408 20 30 CGEDHN C[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744122091 572711128 /nfs/dbraw/zinc/71/11/28/572711128.db2.gz UDVVRPKCAFSJNQ-CQSZACIVSA-N 0 3 280.375 3.111 20 30 CGEDHN C#CCN(CCOc1ccc(OC)cc1)C1CCCCC1 ZINC000744212610 572723315 /nfs/dbraw/zinc/72/33/15/572723315.db2.gz UOUFZBKEAFEWJH-UHFFFAOYSA-N 0 3 287.403 3.342 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@@H]3CCCO3)nc21 ZINC000735787922 572739801 /nfs/dbraw/zinc/73/98/01/572739801.db2.gz AIJQWOIVZMVAJE-STQMWFEESA-N 0 3 297.358 3.007 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@@H]3CCCO3)[nH]c21 ZINC000735787922 572739804 /nfs/dbraw/zinc/73/98/04/572739804.db2.gz AIJQWOIVZMVAJE-STQMWFEESA-N 0 3 297.358 3.007 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CC=CCC3)nc21 ZINC000735790652 572740139 /nfs/dbraw/zinc/74/01/39/572740139.db2.gz OLHVCDWXLNXVBS-CHWSQXEVSA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CC=CCC3)[nH]c21 ZINC000735790652 572740142 /nfs/dbraw/zinc/74/01/42/572740142.db2.gz OLHVCDWXLNXVBS-CHWSQXEVSA-N 0 3 279.343 3.404 20 30 CGEDHN C[C@H]1CN(CCCSCC#N)Cc2ccccc21 ZINC000745982650 572847083 /nfs/dbraw/zinc/84/70/83/572847083.db2.gz WHEAWPVJMOWAKO-ZDUSSCGKSA-N 0 3 260.406 3.253 20 30 CGEDHN C#CCN(CC)[C@H](C)c1ccc(Br)cc1 ZINC000746144096 572857199 /nfs/dbraw/zinc/85/71/99/572857199.db2.gz KSHRUJNBJIOCPE-LLVKDONJSA-N 0 3 266.182 3.465 20 30 CGEDHN N#Cc1cc2ccccc2nc1NC1CCN(C2CC2)CC1 ZINC000750015448 573074528 /nfs/dbraw/zinc/07/45/28/573074528.db2.gz RSTVGWFSBQQWJE-UHFFFAOYSA-N 0 3 292.386 3.145 20 30 CGEDHN C[C@H]1CCCCN1CCNc1nc2ccccc2cc1C#N ZINC000750016350 573074784 /nfs/dbraw/zinc/07/47/84/573074784.db2.gz UHHVBZGCFGFGMJ-AWEZNQCLSA-N 0 3 294.402 3.393 20 30 CGEDHN CCCCCCCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000821055775 606208573 /nfs/dbraw/zinc/20/85/73/606208573.db2.gz GBHIVGNJOHWPKG-UHFFFAOYSA-N 0 3 293.440 3.378 20 30 CGEDHN CCCCCCCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000821055775 606208575 /nfs/dbraw/zinc/20/85/75/606208575.db2.gz GBHIVGNJOHWPKG-UHFFFAOYSA-N 0 3 293.440 3.378 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CCCCCCC2)C1 ZINC000970123856 613298473 /nfs/dbraw/zinc/29/84/73/613298473.db2.gz HSSKDULZCLGCEA-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621900 613332576 /nfs/dbraw/zinc/33/25/76/613332576.db2.gz HVRWSRNVGGBXAH-RDJZCZTQSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974944274 613337450 /nfs/dbraw/zinc/33/74/50/613337450.db2.gz IEPDPOYOCJKIEJ-OAHLLOKOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972788534 613337655 /nfs/dbraw/zinc/33/76/55/613337655.db2.gz IMOJHNPLWAFJBJ-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2coc3c2cccc3C)C1 ZINC000971689531 613624772 /nfs/dbraw/zinc/62/47/72/613624772.db2.gz KJNXMXWXNWARAH-CQSZACIVSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC000980316543 613626916 /nfs/dbraw/zinc/62/69/16/613626916.db2.gz KCPNWEKWNAHTOH-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC000968984833 613683415 /nfs/dbraw/zinc/68/34/15/613683415.db2.gz IMNGMMXMKVWSCM-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940950462 613742442 /nfs/dbraw/zinc/74/24/42/613742442.db2.gz NSKVLMDJFWPURG-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000940835811 613742699 /nfs/dbraw/zinc/74/26/99/613742699.db2.gz DMHGBCMNSGXZPS-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)[C@H](C)C1 ZINC000943290675 613750041 /nfs/dbraw/zinc/75/00/41/613750041.db2.gz YRLQOIVSPDTXKI-ZYHUDNBSSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000940547044 613753650 /nfs/dbraw/zinc/75/36/50/613753650.db2.gz DHOIEGLZIMAPPU-MRXNPFEDSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2Cl)[C@@H](C)C1 ZINC000942074092 613762801 /nfs/dbraw/zinc/76/28/01/613762801.db2.gz UPOMOKAYDDPKHO-CMPLNLGQSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2Cl)C[C@H]1C ZINC000947329263 613762941 /nfs/dbraw/zinc/76/29/41/613762941.db2.gz WGRGUTFYFKQPRF-GHMZBOCLSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2CC)C[C@@H]1C ZINC000948067488 613763276 /nfs/dbraw/zinc/76/32/76/613763276.db2.gz XITOJQWFWSFXRT-GXTWGEPZSA-N 0 3 292.448 3.079 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2sc(C)cc2C)C[C@@H]1C ZINC000947352522 613801873 /nfs/dbraw/zinc/80/18/73/613801873.db2.gz MEGDEUGEEYKMFT-JSGCOSHPSA-N 0 3 292.448 3.134 20 30 CGEDHN C[C@@H](C/N=C\c1ccccc1O)N1CCc2ccccc2C1 ZINC000255067334 617896484 /nfs/dbraw/zinc/89/64/84/617896484.db2.gz IHQXCEVINDQPSR-HYTQYMIGSA-N 0 3 294.398 3.258 20 30 CGEDHN COCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000177852388 618122827 /nfs/dbraw/zinc/12/28/27/618122827.db2.gz HZHPSLGAHKVYGC-LBPRGKRZSA-N 0 3 298.342 3.211 20 30 CGEDHN C#C[C@H](C)NCc1ccc(Br)c(Cl)c1 ZINC000235509495 618805395 /nfs/dbraw/zinc/80/53/95/618805395.db2.gz JYKLKTNQRAJRGI-QMMMGPOBSA-N 0 3 272.573 3.214 20 30 CGEDHN C=CCCSCC[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926684661 618820407 /nfs/dbraw/zinc/82/04/07/618820407.db2.gz HYWKOOTUNATEKL-NSHDSACASA-N 0 3 269.385 3.491 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(CCCC2)C1 ZINC000173829633 618857413 /nfs/dbraw/zinc/85/74/13/618857413.db2.gz JCEIZTZEAPUAFV-AWEZNQCLSA-N 0 3 297.402 3.151 20 30 CGEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)CC2(CCC2)O1 ZINC000930824313 619079981 /nfs/dbraw/zinc/07/99/81/619079981.db2.gz DDNVLSQFTVOFRY-HNNXBMFYSA-N 0 3 276.424 3.494 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000163362463 619281247 /nfs/dbraw/zinc/28/12/47/619281247.db2.gz NKRNWZPDJGILLG-NSHDSACASA-N 0 3 267.756 3.079 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1n[nH]c(C)c1C ZINC000893976228 619343072 /nfs/dbraw/zinc/34/30/72/619343072.db2.gz OYACRVZEHZRKDN-UHFFFAOYSA-N 0 3 269.392 3.257 20 30 CGEDHN C#C[C@@H](NCc1cc2c(ccnc2Cl)o1)C(C)C ZINC000877512854 619394372 /nfs/dbraw/zinc/39/43/72/619394372.db2.gz DOFNIASSOFSJFE-GFCCVEGCSA-N 0 3 262.740 3.229 20 30 CGEDHN COc1ccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c([O-])c1 ZINC000894185508 619408735 /nfs/dbraw/zinc/40/87/35/619408735.db2.gz PEAZBRSMKGKLJH-UHFFFAOYSA-N 0 3 296.370 3.179 20 30 CGEDHN C=CCc1cc(CN2CCSC[C@@H]2C)c(O)c(OC)c1 ZINC000178893458 619436437 /nfs/dbraw/zinc/43/64/37/619436437.db2.gz CYSJAKZRLSTNHP-LBPRGKRZSA-N 0 3 293.432 3.067 20 30 CGEDHN Cc1ccc([C@@H](O)[C@H](C)NCC#Cc2ccccc2)cc1 ZINC000894411681 619525007 /nfs/dbraw/zinc/52/50/07/619525007.db2.gz FTACTEBVRZSZBR-LPHOPBHVSA-N 0 3 279.383 3.058 20 30 CGEDHN Cc1ccc([C@H](O)[C@H](C)NCC#Cc2ccccc2)cc1 ZINC000894411682 619525269 /nfs/dbraw/zinc/52/52/69/619525269.db2.gz FTACTEBVRZSZBR-QFBILLFUSA-N 0 3 279.383 3.058 20 30 CGEDHN C#C[C@@H](NC1CC2(C1)COC(C)(C)C2)c1ccc(F)cc1 ZINC000894575966 619580148 /nfs/dbraw/zinc/58/01/48/619580148.db2.gz XFZNCBOMCBCYIA-UPTPFMHGSA-N 0 3 287.378 3.437 20 30 CGEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1 ZINC000894700828 619607687 /nfs/dbraw/zinc/60/76/87/619607687.db2.gz VPKJGQVYYSMKAA-ARFHVFGLSA-N 0 3 290.432 3.135 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCOC2(C)C)c([O-])c1 ZINC000840704954 620072702 /nfs/dbraw/zinc/07/27/02/620072702.db2.gz BHJKXWKQZPMVDX-JIHKLPAASA-N 0 3 290.407 3.225 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1cnn(CC2CCC2)c1 ZINC000897429150 620316106 /nfs/dbraw/zinc/31/61/06/620316106.db2.gz BDFHDPPIDNXPDM-ZDUSSCGKSA-N 0 3 274.412 3.101 20 30 CGEDHN C[C@@H](Cc1ccsc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000897602097 620407164 /nfs/dbraw/zinc/40/71/64/620407164.db2.gz FATKFOUFNAVXTD-ZDUSSCGKSA-N 0 3 291.416 3.017 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@H](c3cccnc3)C2)n1 ZINC000897629926 620414376 /nfs/dbraw/zinc/41/43/76/620414376.db2.gz PEBJMZISIPEOOL-GXTWGEPZSA-N 0 3 298.415 3.226 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC000898021902 620468457 /nfs/dbraw/zinc/46/84/57/620468457.db2.gz UYVGKORLMVNDAE-NXEZZACHSA-N 0 3 275.318 3.129 20 30 CGEDHN C#Cc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000898506469 620593452 /nfs/dbraw/zinc/59/34/52/620593452.db2.gz VJZHDUYXYKFECT-UHFFFAOYSA-N 0 3 291.398 3.139 20 30 CGEDHN C=CCC[C@H](NCc1cc(C)no1)[C@]1(C)CCCCO1 ZINC000902794662 621451394 /nfs/dbraw/zinc/45/13/94/621451394.db2.gz XTZXLIXLLOHDPE-HOTGVXAUSA-N 0 3 278.396 3.367 20 30 CGEDHN Cc1cccc(O[C@H](C)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902819048 621454316 /nfs/dbraw/zinc/45/43/16/621454316.db2.gz FFODNSIFIPTJLY-CABCVRRESA-N 0 3 295.386 3.380 20 30 CGEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C12CCCC2 ZINC000902826391 621458403 /nfs/dbraw/zinc/45/84/03/621458403.db2.gz UPWVJLNWZCMJRW-IAOVAPTHSA-N 0 3 299.418 3.342 20 30 CGEDHN C[C@H](NCCSC(C)(C)C)c1cc(C#N)ccn1 ZINC000902855375 621476921 /nfs/dbraw/zinc/47/69/21/621476921.db2.gz XXJYFBJVJYFRDW-NSHDSACASA-N 0 3 263.410 3.136 20 30 CGEDHN CCC1(CC)[C@H](N[C@@H](C)c2cc(C#N)ccn2)C[C@H]1OC ZINC000902880641 621482087 /nfs/dbraw/zinc/48/20/87/621482087.db2.gz KTELNLICWLWJKU-APHBMKBZSA-N 0 3 287.407 3.198 20 30 CGEDHN CC(C)COc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905085049 622033658 /nfs/dbraw/zinc/03/36/58/622033658.db2.gz LRLGPGAUTZGRSB-ZBQKXELDSA-N 0 3 297.358 3.154 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000912158633 622605974 /nfs/dbraw/zinc/60/59/74/622605974.db2.gz DUJUJYFEOYTQAS-DOMZBBRYSA-N 0 3 278.371 3.029 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000912330078 622632899 /nfs/dbraw/zinc/63/28/99/622632899.db2.gz DWQQRNNKUYKTJK-MRXNPFEDSA-N 0 3 290.382 3.000 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000912392496 622645473 /nfs/dbraw/zinc/64/54/73/622645473.db2.gz ASUUYOJDPPBEIH-MRXNPFEDSA-N 0 3 292.398 3.246 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1cccs1)C(C)C ZINC000912426968 622654382 /nfs/dbraw/zinc/65/43/82/622654382.db2.gz WLMARPHMUAUCTB-CQSZACIVSA-N 0 3 280.437 3.169 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2oc(CC)nc2c1 ZINC000912448601 622657853 /nfs/dbraw/zinc/65/78/53/622657853.db2.gz DTURODNMUGWDEB-GFCCVEGCSA-N 0 3 287.363 3.012 20 30 CGEDHN C#C[C@@H](CC)NCc1c(OC)ccc2ccccc21 ZINC000229893891 623174149 /nfs/dbraw/zinc/17/41/49/623174149.db2.gz ZNEMCNNLCZYNQA-AWEZNQCLSA-N 0 3 253.345 3.350 20 30 CGEDHN C#CCCCNCc1nc(-c2ccccc2)cs1 ZINC000230705965 623265518 /nfs/dbraw/zinc/26/55/18/623265518.db2.gz FPJKZQHVOJZFHF-UHFFFAOYSA-N 0 3 256.374 3.313 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCC3(C)C)CCC[C@H]12 ZINC000992120953 623441585 /nfs/dbraw/zinc/44/15/85/623441585.db2.gz VJNDZNBMUFDBLB-RLFYNMQTSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992164608 623458522 /nfs/dbraw/zinc/45/85/22/623458522.db2.gz YMFGVLVJDAGXAW-RVKKMQEKSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994274038 624196650 /nfs/dbraw/zinc/19/66/50/624196650.db2.gz GUNOVKHGBHWEFO-NVXWUHKLSA-N 0 3 286.419 3.154 20 30 CGEDHN C#CCN(C[C@@H]1CCCCO1)[C@H]1CCc2ccccc21 ZINC000917117236 624242795 /nfs/dbraw/zinc/24/27/95/624242795.db2.gz GDRHPIYRAPJZSK-WMZOPIPTSA-N 0 3 269.388 3.178 20 30 CGEDHN CCCCNCc1cc(C#N)ccc1Br ZINC000921472649 624596945 /nfs/dbraw/zinc/59/69/45/624596945.db2.gz MTYKFQSDDQCVJM-UHFFFAOYSA-N 0 3 267.170 3.210 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000237578082 624659395 /nfs/dbraw/zinc/65/93/95/624659395.db2.gz XUFAFAYZXPHTQH-CQSZACIVSA-N 0 3 291.354 3.139 20 30 CGEDHN C#CCSCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000181095104 624808783 /nfs/dbraw/zinc/80/87/83/624808783.db2.gz YPFDKTLDQUHJBB-LLVKDONJSA-N 0 3 283.824 3.366 20 30 CGEDHN Cc1cncc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921937893 625937532 /nfs/dbraw/zinc/93/75/32/625937532.db2.gz RJVRRVLLBBJUJU-UHFFFAOYSA-N 0 3 265.360 3.168 20 30 CGEDHN C=CCSCCN[C@H]1CCc2c1nccc2Cl ZINC000925353442 625976710 /nfs/dbraw/zinc/97/67/10/625976710.db2.gz WYJSIHYCEYBNPJ-LBPRGKRZSA-N 0 3 268.813 3.231 20 30 CGEDHN C=C(Cl)CN(C)[C@@H]1CCCN(CC(=C)Cl)CC1 ZINC000839529344 626362858 /nfs/dbraw/zinc/36/28/58/626362858.db2.gz VCWNPMKAGUJXSF-CYBMUJFWSA-N 0 3 277.239 3.278 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OC)c(F)c2)cc1 ZINC000809603604 626434358 /nfs/dbraw/zinc/43/43/58/626434358.db2.gz HMZOUXLSQXRDAB-UHFFFAOYSA-N 0 3 269.319 3.105 20 30 CGEDHN c1ccc(C(CC2CC2)=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753937077 626469384 /nfs/dbraw/zinc/46/93/84/626469384.db2.gz CAJUGWJTBRFBMJ-HOTGVXAUSA-N 0 3 296.418 3.051 20 30 CGEDHN CC(C)N1CC(N=Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000754255765 626565169 /nfs/dbraw/zinc/56/51/69/626565169.db2.gz SCRSSHWFYBEOLK-SNVBAGLBSA-N 0 3 267.323 3.093 20 30 CGEDHN C=C(Br)CN[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000755121937 626601013 /nfs/dbraw/zinc/60/10/13/626601013.db2.gz XZHRJOAXLVLNKZ-MISXGVKJSA-N 0 3 296.208 3.438 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OCC(F)(F)F)cc1 ZINC000809685966 626770388 /nfs/dbraw/zinc/77/03/88/626770388.db2.gz DROKKQRLAPWANS-GFCCVEGCSA-N 0 3 271.282 3.129 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(N(CC)CC)c(F)c1 ZINC000809685983 626771579 /nfs/dbraw/zinc/77/15/79/626771579.db2.gz FRIWVMZERWGUMR-CQSZACIVSA-N 0 3 262.372 3.173 20 30 CGEDHN C#CC[C@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000757610581 626793167 /nfs/dbraw/zinc/79/31/67/626793167.db2.gz DBRWDMWHMDHGEM-AEFFLSMTSA-N 0 3 298.430 3.132 20 30 CGEDHN C#CCCOc1ccc(CN(CC=C)C2CC2)cc1 ZINC000757922656 626814861 /nfs/dbraw/zinc/81/48/61/626814861.db2.gz AYJFYJWNLXAEHB-UHFFFAOYSA-N 0 3 255.361 3.239 20 30 CGEDHN CCCCCCCCCCN1CCc2nn[nH]c2C1 ZINC000759523286 626904405 /nfs/dbraw/zinc/90/44/05/626904405.db2.gz UPDKEGLOILXSJM-UHFFFAOYSA-N 0 3 264.417 3.304 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1 ZINC000760446824 626970857 /nfs/dbraw/zinc/97/08/57/626970857.db2.gz XWFKKPRXALYXIE-STQMWFEESA-N 0 3 269.348 3.156 20 30 CGEDHN CCC#C[C@H](C)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000765498344 627253697 /nfs/dbraw/zinc/25/36/97/627253697.db2.gz AXMFVKGBPPSUFO-RDJZCZTQSA-N 0 3 259.393 3.152 20 30 CGEDHN C#CC[N@@H+](Cc1c([O-])cccc1OC)C1CCCCC1 ZINC000769146402 627525966 /nfs/dbraw/zinc/52/59/66/627525966.db2.gz VRMVTRRPFUONJP-UHFFFAOYSA-N 0 3 273.376 3.169 20 30 CGEDHN C#CC[N@H+](Cc1c([O-])cccc1OC)C1CCCCC1 ZINC000769146402 627525969 /nfs/dbraw/zinc/52/59/69/627525969.db2.gz VRMVTRRPFUONJP-UHFFFAOYSA-N 0 3 273.376 3.169 20 30 CGEDHN C#C[C@H](C)N(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000769960985 627593140 /nfs/dbraw/zinc/59/31/40/627593140.db2.gz JUDTULNUHGPOMZ-NSHDSACASA-N 0 3 271.282 3.038 20 30 CGEDHN C[C@H](C#N)CNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000771101319 627683206 /nfs/dbraw/zinc/68/32/06/627683206.db2.gz YCHZCTGBKOMRNN-LXWOMUOASA-N 0 3 282.391 3.033 20 30 CGEDHN C=C(C)[C@@H](Nc1cc(C)nc(N)n1)c1ccc(F)c(F)c1 ZINC000772186487 627772129 /nfs/dbraw/zinc/77/21/29/627772129.db2.gz NAIUSYYCBMRMCX-CQSZACIVSA-N 0 3 290.317 3.375 20 30 CGEDHN C#CCCCCN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000773035885 627844856 /nfs/dbraw/zinc/84/48/56/627844856.db2.gz LQSAICYNNOXAQF-AWEZNQCLSA-N 0 3 282.391 3.030 20 30 CGEDHN C=C(CC)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000773456070 627885105 /nfs/dbraw/zinc/88/51/05/627885105.db2.gz IVEPQVMJERNMBN-INIZCTEOSA-N 0 3 275.392 3.339 20 30 CGEDHN C=C(CC)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000773456070 627885109 /nfs/dbraw/zinc/88/51/09/627885109.db2.gz IVEPQVMJERNMBN-INIZCTEOSA-N 0 3 275.392 3.339 20 30 CGEDHN C=CCN(C[C@@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000774777330 628027426 /nfs/dbraw/zinc/02/74/26/628027426.db2.gz WFPIMXGHEVTYNG-CQSZACIVSA-N 0 3 251.757 3.024 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000775261345 628076700 /nfs/dbraw/zinc/07/67/00/628076700.db2.gz JKURPHXXBFLVMS-ZIAGYGMSSA-N 0 3 286.375 3.096 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2C)c1ccccc1 ZINC000874833366 634628779 /nfs/dbraw/zinc/62/87/79/634628779.db2.gz KTEJJAVXANCWAM-OKZBNKHCSA-N 0 3 298.430 3.041 20 30 CGEDHN C#C[C@H](N[C@H](C)c1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000775572326 628108715 /nfs/dbraw/zinc/10/87/15/628108715.db2.gz ABPWSNHJMCXEEN-JEBQAFNWSA-N 0 3 269.388 3.007 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCc2ccc(C)cc21)[C@@H]1CCCO1 ZINC000775572716 628108726 /nfs/dbraw/zinc/10/87/26/628108726.db2.gz UDCYYPBOANXNIU-KSZLIROESA-N 0 3 269.388 3.143 20 30 CGEDHN CCCCCCCN(C)[C@H](C)C(=O)NC(C)(C)C ZINC000776851216 628236713 /nfs/dbraw/zinc/23/67/13/628236713.db2.gz WYCNMNCAPOTVTI-CYBMUJFWSA-N 0 3 256.434 3.192 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCCCOCC ZINC000778158908 628329537 /nfs/dbraw/zinc/32/95/37/628329537.db2.gz RJRXXOPHZULVQZ-UHFFFAOYSA-N 0 3 295.810 3.258 20 30 CGEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN[C@H]1CCCOC1 ZINC000780257265 628473017 /nfs/dbraw/zinc/47/30/17/628473017.db2.gz HRVSHCXZGZGWHJ-YGAXGUPCSA-N 0 3 299.418 3.052 20 30 CGEDHN C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1[O-] ZINC000784179584 628791355 /nfs/dbraw/zinc/79/13/55/628791355.db2.gz YKWCSDUYFWQPCT-UHFFFAOYSA-N 0 3 266.344 3.090 20 30 CGEDHN C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1[O-] ZINC000784179584 628791357 /nfs/dbraw/zinc/79/13/57/628791357.db2.gz YKWCSDUYFWQPCT-UHFFFAOYSA-N 0 3 266.344 3.090 20 30 CGEDHN CC[C@](C)(CC(=O)OC)NCc1ccc(C#N)cc1Cl ZINC000784338555 628807529 /nfs/dbraw/zinc/80/75/29/628807529.db2.gz BGIXQPGKEAPLRR-OAHLLOKOSA-N 0 3 294.782 3.033 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000788734175 629077226 /nfs/dbraw/zinc/07/72/26/629077226.db2.gz KIMXPYXPNMCEJV-LLVKDONJSA-N 0 3 268.813 3.231 20 30 CGEDHN CCN(C)c1ccc(C=NNCCCc2ccccc2)cn1 ZINC000790162556 629187737 /nfs/dbraw/zinc/18/77/37/629187737.db2.gz YXGNZFSJJHNILT-UHFFFAOYSA-N 0 3 296.418 3.094 20 30 CGEDHN CCCCCCCCCN1CCN(c2cccnn2)CC1 ZINC000792218281 629350638 /nfs/dbraw/zinc/35/06/38/629350638.db2.gz NMPBDKCREIBYQD-UHFFFAOYSA-N 0 3 290.455 3.349 20 30 CGEDHN CCCCCCCCCN1CCOC[C@@H]1C[C@@H](C)O ZINC000792292250 629354936 /nfs/dbraw/zinc/35/49/36/629354936.db2.gz VVYGJSQKWJTAIZ-CVEARBPZSA-N 0 3 271.445 3.209 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000862444927 629378013 /nfs/dbraw/zinc/37/80/13/629378013.db2.gz IZSAGYYPOMQSNF-NSHDSACASA-N 0 3 251.732 3.324 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@@H](C(N)=O)c1ccccc1 ZINC000793522305 629474149 /nfs/dbraw/zinc/47/41/49/629474149.db2.gz FPDBRMNCGKGYFZ-GOEBONIOSA-N 0 3 274.408 3.328 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000793554040 629483351 /nfs/dbraw/zinc/48/33/51/629483351.db2.gz PMFXBHPQMJDPBY-CJNGLKHVSA-N 0 3 292.398 3.467 20 30 CGEDHN Cc1ccc2c(c1)OCCCC2=NNc1ccnc(C)c1 ZINC000863159383 629485673 /nfs/dbraw/zinc/48/56/73/629485673.db2.gz OSJQDWSGAGMLRL-UHFFFAOYSA-N 0 3 281.359 3.109 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCCOC1)c1ccc2ccccc2n1 ZINC000796630017 629807756 /nfs/dbraw/zinc/80/77/56/629807756.db2.gz TXBBKPRXTHIVCT-HIFRSBDPSA-N 0 3 294.354 3.228 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2C[C@@H](OC)C2)c([O-])c1 ZINC000864346620 629815323 /nfs/dbraw/zinc/81/53/23/629815323.db2.gz XZFFFBQTVYEFGJ-PWLYDMNLSA-N 0 3 290.407 3.082 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000797998316 630013053 /nfs/dbraw/zinc/01/30/53/630013053.db2.gz FYSFSAOXYSSILX-ZENOOKHLSA-N 0 3 261.365 3.024 20 30 CGEDHN COc1ccccc1CON=C(C)CN1CCCCCC1 ZINC000799117008 630145856 /nfs/dbraw/zinc/14/58/56/630145856.db2.gz GRDZTRYRHIEZTC-UHFFFAOYSA-N 0 3 290.407 3.464 20 30 CGEDHN CCCC[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1[O-] ZINC000801595758 630346557 /nfs/dbraw/zinc/34/65/57/630346557.db2.gz RZLOBLQIQZQFLY-UHFFFAOYSA-N 0 3 295.386 3.461 20 30 CGEDHN CCCC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1[O-] ZINC000801595758 630346559 /nfs/dbraw/zinc/34/65/59/630346559.db2.gz RZLOBLQIQZQFLY-UHFFFAOYSA-N 0 3 295.386 3.461 20 30 CGEDHN C[C@@H](C#N)OCCN1CCC[C@H]1Cc1ccccc1Cl ZINC000801916021 630366019 /nfs/dbraw/zinc/36/60/19/630366019.db2.gz QEAPDWOIZZKQIO-ZFWWWQNUSA-N 0 3 292.810 3.276 20 30 CGEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCO[C@H](C)C#N)o1 ZINC000801926007 630367331 /nfs/dbraw/zinc/36/73/31/630367331.db2.gz UATNBEADDGQLFM-CFVMTHIKSA-N 0 3 276.380 3.290 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCc2c3ccccc3[nH]c21)[C@@H]1CCCO1 ZINC000808714101 630669615 /nfs/dbraw/zinc/66/96/15/630669615.db2.gz MOIBCQSGRKXYQB-JQHSSLGASA-N 0 3 294.398 3.316 20 30 CGEDHN C#C[C@@H](NCc1ccccc1OCc1ccccn1)C(C)C ZINC000809685045 630780455 /nfs/dbraw/zinc/78/04/55/630780455.db2.gz XPSGVYUGIPLBBZ-GOSISDBHSA-N 0 3 294.398 3.408 20 30 CGEDHN C#C[C@H](NCc1c(C)nn(-c2ccc(F)cc2)c1C)C(C)C ZINC000809685310 630780509 /nfs/dbraw/zinc/78/05/09/630780509.db2.gz MOGJIYZQMJJHGR-SFHVURJKSA-N 0 3 299.393 3.376 20 30 CGEDHN N#CC(C(=O)CCCC1CC1)c1nc2ccccc2[nH]1 ZINC000813057469 631342990 /nfs/dbraw/zinc/34/29/90/631342990.db2.gz KQUSNWJYQGPCIE-GFCCVEGCSA-N 0 3 267.332 3.319 20 30 CGEDHN N#C[C@@H](c1ccccc1)N1CCN(CCCC2CC2)CC1 ZINC000813334466 631413377 /nfs/dbraw/zinc/41/33/77/631413377.db2.gz KTQPFVCIYJONEY-SFHVURJKSA-N 0 3 283.419 3.059 20 30 CGEDHN N#CCCOCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000815049033 631707887 /nfs/dbraw/zinc/70/78/87/631707887.db2.gz VRCBJVGXCZENQF-UHFFFAOYSA-N 0 3 288.391 3.067 20 30 CGEDHN N#CCCOCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000815049033 631707892 /nfs/dbraw/zinc/70/78/92/631707892.db2.gz VRCBJVGXCZENQF-UHFFFAOYSA-N 0 3 288.391 3.067 20 30 CGEDHN CC(C)c1cnc(CN[C@@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865846989 632913554 /nfs/dbraw/zinc/91/35/54/632913554.db2.gz CMBKFIFIGKVHKU-OAHLLOKOSA-N 0 3 297.427 3.395 20 30 CGEDHN COc1cccc2c1OCCC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000866341618 633088494 /nfs/dbraw/zinc/08/84/94/633088494.db2.gz OSNFREVEMVUSTG-YDHLFZDLSA-N 0 3 286.375 3.191 20 30 CGEDHN COc1ccc(Cl)cc1C(C)(C)NCCO[C@H](C)C#N ZINC000823502660 633114508 /nfs/dbraw/zinc/11/45/08/633114508.db2.gz CCRKYKFTHHFTOQ-LLVKDONJSA-N 0 3 296.798 3.102 20 30 CGEDHN C=CC1(CC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)CCCCC1 ZINC000829563635 633750960 /nfs/dbraw/zinc/75/09/60/633750960.db2.gz IKFJYBIYXWDBAM-JKSUJKDBSA-N 0 3 290.451 3.208 20 30 CGEDHN C#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000829810065 633792156 /nfs/dbraw/zinc/79/21/56/633792156.db2.gz LJUILUGLDPHJLB-MLGOLLRUSA-N 0 3 295.785 3.248 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)N(C)c1ccc(C)cc1 ZINC000871890260 633915558 /nfs/dbraw/zinc/91/55/58/633915558.db2.gz UHWHGLFDDSOAOQ-ZMSDIMECSA-N 0 3 299.418 3.018 20 30 CGEDHN CCCCCCCCCCn1cc([C@@H](C)N)nn1 ZINC000124381035 634242698 /nfs/dbraw/zinc/24/26/98/634242698.db2.gz LNINLUNJFXQNRN-CYBMUJFWSA-N 0 3 252.406 3.439 20 30 CGEDHN C[C@@]1(CCNCc2cccc(F)c2C#N)C[C@@]1(F)Cl ZINC000873134825 634254866 /nfs/dbraw/zinc/25/48/66/634254866.db2.gz VAZBDDMCEITUAP-KGLIPLIRSA-N 0 3 284.737 3.492 20 30 CGEDHN C=C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835027394 634325396 /nfs/dbraw/zinc/32/53/96/634325396.db2.gz LLEBKUVGXLRWRS-SNAWJCMRSA-N 0 3 256.393 3.418 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CCC)cc1 ZINC000876558113 634857161 /nfs/dbraw/zinc/85/71/61/634857161.db2.gz IEGZTPDFQYBANM-ZDUSSCGKSA-N 0 3 266.772 3.048 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OCCCC ZINC000876578195 634861135 /nfs/dbraw/zinc/86/11/35/634861135.db2.gz FAXZNDCFGZNDJB-LBPRGKRZSA-N 0 3 296.798 3.274 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1cccc(C(C)C)c1 ZINC000876622195 634870046 /nfs/dbraw/zinc/87/00/46/634870046.db2.gz RNDNFIRYFNKFFI-AWEZNQCLSA-N 0 3 280.799 3.243 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CC1)C1CCCCC1 ZINC000876640728 634873610 /nfs/dbraw/zinc/87/36/10/634873610.db2.gz CXXHIQYIEMKWBM-CQSZACIVSA-N 0 3 284.831 3.028 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000876657464 634876594 /nfs/dbraw/zinc/87/65/94/634876594.db2.gz OKYZIIXKUWVEBW-CABCVRRESA-N 0 3 294.826 3.312 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H](C)CC(C)(C)C ZINC000876907966 634927292 /nfs/dbraw/zinc/92/72/92/634927292.db2.gz FUJNYWWUIPPRRM-ZYHUDNBSSA-N 0 3 274.836 3.035 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000876937659 634931896 /nfs/dbraw/zinc/93/18/96/634931896.db2.gz YXZFNPMODSWSRF-RDBSUJKOSA-N 0 3 298.858 3.131 20 30 CGEDHN CCC1(CNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877081086 634976653 /nfs/dbraw/zinc/97/66/53/634976653.db2.gz WXADDEKVORZVHQ-UHFFFAOYSA-N 0 3 263.772 3.277 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2nc3ccccc3o2)CC1 ZINC000877834687 635235364 /nfs/dbraw/zinc/23/53/64/635235364.db2.gz XMEFDYCVPUBBLM-JOCQHMNTSA-N 0 3 254.333 3.109 20 30 CGEDHN O[C@@H](c1ccccc1)[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000879246793 635733931 /nfs/dbraw/zinc/73/39/31/635733931.db2.gz XVBJMLHYIIRIKB-PMACEKPBSA-N 0 3 291.394 3.236 20 30 CGEDHN CN(C[C@@H]1CC(C)(C)OC1(C)C)[C@H]1CCC[C@H]1C#N ZINC000879310544 635752146 /nfs/dbraw/zinc/75/21/46/635752146.db2.gz VMSOIDAKZCMEGL-IHRRRGAJSA-N 0 3 264.413 3.204 20 30 CGEDHN C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000879651072 635828605 /nfs/dbraw/zinc/82/86/05/635828605.db2.gz GNHZIEQVJFLDMM-AWEZNQCLSA-N 0 3 296.370 3.384 20 30 CGEDHN C(#Cc1ccccc1)CNC1([C@@H]2CCCCO2)CCC1 ZINC000879734223 635846622 /nfs/dbraw/zinc/84/66/22/635846622.db2.gz FZBWACXLKNYGAW-KRWDZBQOSA-N 0 3 269.388 3.120 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC[C@]2(CC2(F)F)C1 ZINC000844440468 635901882 /nfs/dbraw/zinc/90/18/82/635901882.db2.gz USLWKFPFWRSXKV-HNNXBMFYSA-N 0 3 292.329 3.058 20 30 CGEDHN COc1cc2c(cc1OC)[C@H](C)N(CCCCC#N)CC2 ZINC000880089717 635910998 /nfs/dbraw/zinc/91/09/98/635910998.db2.gz AGGXUIUMBJPXMB-ZDUSSCGKSA-N 0 3 288.391 3.317 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102829 635914264 /nfs/dbraw/zinc/91/42/64/635914264.db2.gz FKIQZFNNILXKET-UWVGGRQHSA-N 0 3 271.286 3.443 20 30 CGEDHN C=CCCC[C@@H](NCCS(=O)(=O)CC)c1ccccc1 ZINC000880389137 635991875 /nfs/dbraw/zinc/99/18/75/635991875.db2.gz RXSUNPBZDHNMNO-MRXNPFEDSA-N 0 3 295.448 3.108 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845437545 636035664 /nfs/dbraw/zinc/03/56/64/636035664.db2.gz XKTRGTNMIPOOSY-MJBXVCDLSA-N 0 3 293.370 3.186 20 30 CGEDHN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128770082 636075342 /nfs/dbraw/zinc/07/53/42/636075342.db2.gz AEOOQVXDPDGBHL-KCPJHIHWSA-N 0 3 292.338 3.143 20 30 CGEDHN Cc1ccc(NC[C@@H](c2cccs2)N(C)C)c(C#N)n1 ZINC000881753405 636197167 /nfs/dbraw/zinc/19/71/67/636197167.db2.gz OOVQBZJACXBIOC-AWEZNQCLSA-N 0 3 286.404 3.038 20 30 CGEDHN C#C[C@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000847020299 636312736 /nfs/dbraw/zinc/31/27/36/636312736.db2.gz ARHCKLKOBCPQGN-KGLIPLIRSA-N 0 3 272.348 3.309 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccccc2OC2CC2)C1 ZINC000847020501 636312791 /nfs/dbraw/zinc/31/27/91/636312791.db2.gz YPFYZWWWPHZWST-CQSZACIVSA-N 0 3 255.361 3.073 20 30 CGEDHN CN(C(=O)[C@H](N)CCCCC#N)c1ccc2ccccc2c1 ZINC000848397315 636566177 /nfs/dbraw/zinc/56/61/77/636566177.db2.gz ZIOYDNZBJXMYEW-QGZVFWFLSA-N 0 3 295.386 3.214 20 30 CGEDHN COc1ccccc1CON=C1CCCN2CCCC[C@@H]12 ZINC000848409700 636569467 /nfs/dbraw/zinc/56/94/67/636569467.db2.gz BUFVMEHHMLOUQR-INIZCTEOSA-N 0 3 288.391 3.216 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000131187002 636573113 /nfs/dbraw/zinc/57/31/13/636573113.db2.gz NKXIAWIBLYGXRA-UHFFFAOYSA-N 0 3 290.366 3.202 20 30 CGEDHN C=CCC[C@H](N[C@@H](C)c1nccn1CC)[C@@H]1CCCO1 ZINC000883227869 636599298 /nfs/dbraw/zinc/59/92/98/636599298.db2.gz ZZUYTWPVTVFVGQ-KKUMJFAQSA-N 0 3 277.412 3.067 20 30 CGEDHN COc1ccc(C2CC2)cc1CN[C@H]1CC[C@H](C#N)C1 ZINC000883266057 636637007 /nfs/dbraw/zinc/63/70/07/636637007.db2.gz QWCIZMKUKFXETQ-LRDDRELGSA-N 0 3 270.376 3.354 20 30 CGEDHN C#CC1(NCc2c[nH]c(-c3ccccc3)n2)CCCC1 ZINC000883363171 636704218 /nfs/dbraw/zinc/70/42/18/636704218.db2.gz XBKLXDSRBNUQMF-UHFFFAOYSA-N 0 3 265.360 3.112 20 30 CGEDHN C#CC1(NCc2cnc(-c3ccccc3)[nH]2)CCCC1 ZINC000883363171 636704221 /nfs/dbraw/zinc/70/42/21/636704221.db2.gz XBKLXDSRBNUQMF-UHFFFAOYSA-N 0 3 265.360 3.112 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000883392292 636736682 /nfs/dbraw/zinc/73/66/82/636736682.db2.gz DTRIHQXQOOZPQB-NWDGAFQWSA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1ccc(CSC(F)F)o1 ZINC000883401778 636743021 /nfs/dbraw/zinc/74/30/21/636743021.db2.gz YBNJXXCYNBCKKI-SNVBAGLBSA-N 0 3 291.363 3.152 20 30 CGEDHN C=CCOc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000134237076 637008323 /nfs/dbraw/zinc/00/83/23/637008323.db2.gz RXESHJGXHRUNHV-UHFFFAOYSA-N 0 3 269.344 3.247 20 30 CGEDHN C[C@@H](NCC1SCCS1)c1ccc(C#N)cc1F ZINC000850560741 637124857 /nfs/dbraw/zinc/12/48/57/637124857.db2.gz NPWILEFCWCMSPE-SECBINFHSA-N 0 3 282.409 3.154 20 30 CGEDHN C=C(Br)CN[C@@H](C)CCc1ccc(O)cc1 ZINC000136131027 637290316 /nfs/dbraw/zinc/29/03/16/637290316.db2.gz MINBKDHHFWIDJQ-NSHDSACASA-N 0 3 284.197 3.212 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@@H]1C[C@]12CCOC2 ZINC000885963894 637335615 /nfs/dbraw/zinc/33/56/15/637335615.db2.gz RUBAVJYKOYKGOT-RDJZCZTQSA-N 0 3 275.367 3.240 20 30 CGEDHN C#CCOCCN[C@H](COc1ccccc1)c1ccccc1 ZINC000851903236 637538042 /nfs/dbraw/zinc/53/80/42/637538042.db2.gz WAWLJRHEEJPUNW-LJQANCHMSA-N 0 3 295.382 3.046 20 30 CGEDHN C#C[C@@](C)(CC)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000852101341 637596371 /nfs/dbraw/zinc/59/63/71/637596371.db2.gz PKHMHQFUUOWQKC-KBPBESRZSA-N 0 3 286.202 3.418 20 30 CGEDHN CC(C)[C@H](NCCO[C@@H](C)C#N)c1ccccc1F ZINC000852445664 637654063 /nfs/dbraw/zinc/65/40/63/637654063.db2.gz ARIAXMSXWYQWJS-WFASDCNBSA-N 0 3 264.344 3.041 20 30 CGEDHN Clc1cc(N=NC2CCCN3CCCC[C@@H]23)ccn1 ZINC000853397890 637836031 /nfs/dbraw/zinc/83/60/31/637836031.db2.gz XBDXJSBFBCIIFZ-ZDUSSCGKSA-N 0 3 278.787 3.151 20 30 CGEDHN C=CCN(Cc1ccc(C(C)C)cc(=O)c1O)C(C)C ZINC000853491373 637854933 /nfs/dbraw/zinc/85/49/33/637854933.db2.gz QONVRKKBUSELGR-UHFFFAOYSA-N 0 3 275.392 3.272 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(OC)c(F)c2)cc1 ZINC000113317746 638185588 /nfs/dbraw/zinc/18/55/88/638185588.db2.gz XSQZFYVWAVXCQO-UHFFFAOYSA-N 0 3 299.345 3.136 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(Cl)nc1 ZINC000924715096 638393417 /nfs/dbraw/zinc/39/34/17/638393417.db2.gz ZZIXRCMLHDHTSH-SNVBAGLBSA-N 0 3 251.761 3.153 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCC1(OC)OC)c1ccccc1 ZINC000925581847 638537406 /nfs/dbraw/zinc/53/74/06/638537406.db2.gz WEIRWQGPZSGVMA-CVEARBPZSA-N 0 3 275.392 3.435 20 30 CGEDHN C#CC[C@@H](COC)NCc1cccc(OC2CCCC2)c1 ZINC000858335775 638685271 /nfs/dbraw/zinc/68/52/71/638685271.db2.gz GUFSOQXQOCBAGQ-INIZCTEOSA-N 0 3 287.403 3.136 20 30 CGEDHN C#CC[C@H](COC)NCc1cc2cc(C)c(C)cc2o1 ZINC000858335441 638685553 /nfs/dbraw/zinc/68/55/53/638685553.db2.gz VADGTLNZFCGCTN-OAHLLOKOSA-N 0 3 271.360 3.178 20 30 CGEDHN C=CCCCCCCN[C@H](C)c1cc(OC)no1 ZINC000926422023 638769834 /nfs/dbraw/zinc/76/98/34/638769834.db2.gz GAAUXDPQVSQSNW-GFCCVEGCSA-N 0 3 252.358 3.470 20 30 CGEDHN CC[C@H](NCC(C)(C)CC#N)c1cccc(OC)n1 ZINC000926568579 638786551 /nfs/dbraw/zinc/78/65/51/638786551.db2.gz NBLMIXHQDDNGSS-LBPRGKRZSA-N 0 3 261.369 3.071 20 30 CGEDHN C=CCCCCCN[C@H](C)c1nn(CC)nc1C ZINC000926667126 638796186 /nfs/dbraw/zinc/79/61/86/638796186.db2.gz YGGVGUMBILJIPG-GFCCVEGCSA-N 0 3 250.390 3.003 20 30 CGEDHN C=CC(C)(C)CCN[C@H](C)c1cn(C(C)C)nn1 ZINC000926746362 638806507 /nfs/dbraw/zinc/80/65/07/638806507.db2.gz KZPDPLKXVPBNEK-GFCCVEGCSA-N 0 3 250.390 3.112 20 30 CGEDHN Cc1ncc([C@H](C)N[C@H](C)CC(C)(C)C#N)s1 ZINC000926784018 638811313 /nfs/dbraw/zinc/81/13/13/638811313.db2.gz CZVADIGZRQBXKR-ZJUUUORDSA-N 0 3 251.399 3.431 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCCc2cccnc21 ZINC000927061141 638836054 /nfs/dbraw/zinc/83/60/54/638836054.db2.gz BTKAFXASVGOOBK-TZMCWYRMSA-N 0 3 257.381 3.377 20 30 CGEDHN CN(CCC1CCCCC1)Cc1cncc(C#N)c1 ZINC000929469536 638926790 /nfs/dbraw/zinc/92/67/90/638926790.db2.gz NVRIWLMZZLSMLV-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H]3COCC[C@H]32)c1 ZINC000929825429 638954805 /nfs/dbraw/zinc/95/48/05/638954805.db2.gz LQMKEFSCLRNOGZ-GDBMZVCRSA-N 0 3 290.794 3.213 20 30 CGEDHN CC(C)c1ccc([C@H]2CCCN2C[C@H](O)CC#N)cc1 ZINC000930106208 638974450 /nfs/dbraw/zinc/97/44/50/638974450.db2.gz OFGGOIWLMXIOEE-IAGOWNOFSA-N 0 3 272.392 3.221 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H](C)C1(F)F ZINC000859412570 639138404 /nfs/dbraw/zinc/13/84/04/639138404.db2.gz UHFDAGKAFJNVHR-CHWSQXEVSA-N 0 3 294.345 3.312 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@](O)(c3ccccc3)C2)s1 ZINC000859587952 639169246 /nfs/dbraw/zinc/16/92/46/639169246.db2.gz CQEFPBRQJPBFKV-QGZVFWFLSA-N 0 3 298.411 3.103 20 30 CGEDHN N#CC1(CCCCN[C@H](c2ncccn2)C2CC2)CCC1 ZINC000932352314 639318951 /nfs/dbraw/zinc/31/89/51/639318951.db2.gz NWEJVFUVZSXLGM-HNNXBMFYSA-N 0 3 284.407 3.381 20 30 CGEDHN C#CCN(Cc1ccccc1C(C)(C)C#N)C(C)C ZINC000932390295 639324844 /nfs/dbraw/zinc/32/48/44/639324844.db2.gz JBPVJZFEZBMRGH-UHFFFAOYSA-N 0 3 254.377 3.331 20 30 CGEDHN C[C@H](COCC1CCCCC1)NCc1cncc(C#N)c1 ZINC000932423361 639329788 /nfs/dbraw/zinc/32/97/88/639329788.db2.gz RITKFEXPDGBYRF-CQSZACIVSA-N 0 3 287.407 3.028 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc2c(c1)CCO2 ZINC000933488265 639453939 /nfs/dbraw/zinc/45/39/39/639453939.db2.gz BMPORRVDDOKASD-LLVKDONJSA-N 0 3 284.384 3.405 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016158171 640992789 /nfs/dbraw/zinc/99/27/89/640992789.db2.gz ALHZVIHSHOUHIA-INIZCTEOSA-N 0 3 294.398 3.220 20 30 CGEDHN CC(C)c1ccc(C#N)c(N[C@H]2CNCc3ccsc32)n1 ZINC001155559090 805592778 /nfs/dbraw/zinc/59/27/78/805592778.db2.gz KMEZAGKCPZYRMY-AWEZNQCLSA-N 0 3 298.415 3.395 20 30 CGEDHN C=CCCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001155579637 805595924 /nfs/dbraw/zinc/59/59/24/805595924.db2.gz IMBNHJZPBSNNIG-UHFFFAOYSA-N 0 3 298.789 3.041 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)CCCCC ZINC001155654500 805599574 /nfs/dbraw/zinc/59/95/74/805599574.db2.gz QNQHPYDAUWZINO-DLBZAZTESA-N 0 3 294.483 3.443 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC001157768156 805866393 /nfs/dbraw/zinc/86/63/93/805866393.db2.gz AVCDVMQKTMUZLH-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CCCCC(C)(C)C ZINC001158726649 805990767 /nfs/dbraw/zinc/99/07/67/805990767.db2.gz QSIKZJUXZSZSPN-UHFFFAOYSA-N 0 3 288.863 3.441 20 30 CGEDHN CCCCCCCC[C@@H](O)CN[C@@H]1CCCCC1=O ZINC001252134899 806020130 /nfs/dbraw/zinc/02/01/30/806020130.db2.gz UDQAJCWOEDGRIA-HUUCEWRRSA-N 0 3 269.429 3.199 20 30 CGEDHN CCCCCCCC[C@H](O)CN[C@@H]1CCCCC1=O ZINC001252134900 806020842 /nfs/dbraw/zinc/02/08/42/806020842.db2.gz UDQAJCWOEDGRIA-LSDHHAIUSA-N 0 3 269.429 3.199 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cc(F)ccn1 ZINC001252138577 806024303 /nfs/dbraw/zinc/02/43/03/806024303.db2.gz BEHMOUALKXNPOY-MRXNPFEDSA-N 0 3 282.403 3.422 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cnn(CCF)c1 ZINC001252139999 806025759 /nfs/dbraw/zinc/02/57/59/806025759.db2.gz WPQBUULTSVLXMH-INIZCTEOSA-N 0 3 299.434 3.054 20 30 CGEDHN C=C[C@](C)(O)CN[C@@H](C)c1ccccc1Br ZINC001252576925 806073540 /nfs/dbraw/zinc/07/35/40/806073540.db2.gz QJYCZGLNBTVIBO-GWCFXTLKSA-N 0 3 284.197 3.037 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1)c1ccncc1 ZINC001252614483 806089352 /nfs/dbraw/zinc/08/93/52/806089352.db2.gz KHPPQYUMVQNHMT-ZWKOTPCHSA-N 0 3 282.387 3.088 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](c1ccncc1Cl)C1CC1 ZINC001252622423 806093125 /nfs/dbraw/zinc/09/31/25/806093125.db2.gz UPUUKZNYCZZJCG-DOMZBBRYSA-N 0 3 280.799 3.103 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cccc(F)n1 ZINC001253249823 806194907 /nfs/dbraw/zinc/19/49/07/806194907.db2.gz PVSROECUBKISNM-OAHLLOKOSA-N 0 3 280.387 3.198 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN[C@H](C)c1cncnc1 ZINC001253249590 806195562 /nfs/dbraw/zinc/19/55/62/806195562.db2.gz KQRUXZKRGXPLDM-GDBMZVCRSA-N 0 3 277.412 3.015 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001160932951 806323313 /nfs/dbraw/zinc/32/33/13/806323313.db2.gz NZZUXMROCQHHIA-NVXWUHKLSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CCCCCC)CC1 ZINC001161813947 806461572 /nfs/dbraw/zinc/46/15/72/806461572.db2.gz JUKGZHUZPQDHNW-UHFFFAOYSA-N 0 3 278.440 3.281 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001254636242 806465709 /nfs/dbraw/zinc/46/57/09/806465709.db2.gz WVVPUYGMFSAKEI-KOLCDFICSA-N 0 3 252.720 3.261 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)nc(Cl)c2)C1 ZINC001254637244 806466805 /nfs/dbraw/zinc/46/68/05/806466805.db2.gz NXYRNAUMHJRARM-WCBMZHEXSA-N 0 3 270.163 3.170 20 30 CGEDHN N#CC1(Nc2ccc(F)c(CN3CCCC3)c2)CCC1 ZINC001162315293 806554090 /nfs/dbraw/zinc/55/40/90/806554090.db2.gz ARHMCDYPGIYPAO-UHFFFAOYSA-N 0 3 273.355 3.280 20 30 CGEDHN CC[C@@H](CC#N)NCCC(C(F)(F)F)C(F)(F)F ZINC001255164077 806561817 /nfs/dbraw/zinc/56/18/17/806561817.db2.gz HIIYNQCBNJMZCM-ZETCQYMHSA-N 0 3 276.224 3.399 20 30 CGEDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)c([O-])c1 ZINC000037748339 798873594 /nfs/dbraw/zinc/87/35/94/798873594.db2.gz APZMAZFAXIBQAM-ZDUSSCGKSA-N 0 3 266.344 3.423 20 30 CGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000176527356 799099613 /nfs/dbraw/zinc/09/96/13/799099613.db2.gz XLCZKXHLXCJCAF-ZDUSSCGKSA-N 0 3 290.750 3.344 20 30 CGEDHN C#CCCCNCc1ccsc1Br ZINC000388389524 799453086 /nfs/dbraw/zinc/45/30/86/799453086.db2.gz AWIRSCFWIJKVMZ-UHFFFAOYSA-N 0 3 258.184 3.014 20 30 CGEDHN Cc1nc(C)c(CNCc2ccc(C)c(C#N)c2)s1 ZINC000701830495 799894647 /nfs/dbraw/zinc/89/46/47/799894647.db2.gz OKMNLCQODPAQGV-UHFFFAOYSA-N 0 3 271.389 3.230 20 30 CGEDHN C[C@@H]1Cc2cc(CN3CCC[C@H](CC#N)C3)ccc2O1 ZINC000720829714 800268456 /nfs/dbraw/zinc/26/84/56/800268456.db2.gz QXUUXHFVKRJOAK-ZIAGYGMSSA-N 0 3 270.376 3.136 20 30 CGEDHN CC(C)[C@H]1CCCN(Cc2cncc(C#N)c2)CC1 ZINC000721562256 800294752 /nfs/dbraw/zinc/29/47/52/800294752.db2.gz UUJXUEZFJGYNEN-INIZCTEOSA-N 0 3 257.381 3.211 20 30 CGEDHN COc1cccc(C[C@@H](C)NCC2(C#N)CCCC2)c1 ZINC001256141117 806831633 /nfs/dbraw/zinc/83/16/33/806831633.db2.gz NXXRSJOQMQWUPU-CQSZACIVSA-N 0 3 272.392 3.300 20 30 CGEDHN C#Cc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000809548678 800445133 /nfs/dbraw/zinc/44/51/33/800445133.db2.gz HUEHGMOMUXQHDS-UHFFFAOYSA-N 0 3 251.329 3.006 20 30 CGEDHN C#Cc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000809548678 800445136 /nfs/dbraw/zinc/44/51/36/800445136.db2.gz HUEHGMOMUXQHDS-UHFFFAOYSA-N 0 3 251.329 3.006 20 30 CGEDHN CCCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000822876861 800464629 /nfs/dbraw/zinc/46/46/29/800464629.db2.gz JIIXIQGFJMSSDZ-DYTQJMLRSA-N 0 3 297.358 3.298 20 30 CGEDHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCC#Cc2ccccc2)C1 ZINC000895124060 800579920 /nfs/dbraw/zinc/57/99/20/800579920.db2.gz JPLPJTJLHNSFPI-SJORKVTESA-N 0 3 299.414 3.138 20 30 CGEDHN N#Cc1cc(CNC2([C@H]3CCCCO3)CCC2)cs1 ZINC000922321543 800617817 /nfs/dbraw/zinc/61/78/17/800617817.db2.gz YHAZZPAFBMZZSK-CQSZACIVSA-N 0 3 276.405 3.201 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001023137528 800705324 /nfs/dbraw/zinc/70/53/24/800705324.db2.gz LFNHTSUOJVYQQO-LWWSYDQCSA-N 0 3 298.858 3.048 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccsc1C ZINC001024433893 800728595 /nfs/dbraw/zinc/72/85/95/800728595.db2.gz PPJXTHZIIWWZIT-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001024824645 800736730 /nfs/dbraw/zinc/73/67/30/800736730.db2.gz SJRCZFANVJZAKF-GFCCVEGCSA-N 0 3 296.411 3.048 20 30 CGEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214795 800750493 /nfs/dbraw/zinc/75/04/93/800750493.db2.gz FJPVZGPTIKMBNH-LSDHHAIUSA-N 0 3 294.414 3.281 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028330360 800841812 /nfs/dbraw/zinc/84/18/12/800841812.db2.gz GGLJPEMZSHHCSB-UPTPFMHGSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001032612827 800932335 /nfs/dbraw/zinc/93/23/35/800932335.db2.gz CMRMCBHGLNWMJV-PMPSAXMXSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032953966 800945614 /nfs/dbraw/zinc/94/56/14/800945614.db2.gz SFEJDDYCJLAUOO-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033093168 800951967 /nfs/dbraw/zinc/95/19/67/800951967.db2.gz XJMDHKZMDJXRHO-HRCADAONSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634797 800971581 /nfs/dbraw/zinc/97/15/81/800971581.db2.gz YMPISQTUMXJBPV-KRWDZBQOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033946935 800991933 /nfs/dbraw/zinc/99/19/33/800991933.db2.gz ZAOVSNGJJAJSMG-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034083597 801002143 /nfs/dbraw/zinc/00/21/43/801002143.db2.gz SMZCUDFJGQVGTA-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034153170 801008042 /nfs/dbraw/zinc/00/80/42/801008042.db2.gz BXMDJGUSZJGYJA-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001034222366 801012765 /nfs/dbraw/zinc/01/27/65/801012765.db2.gz CLKHAIYLTMQPGV-DLBZAZTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001034395781 801025362 /nfs/dbraw/zinc/02/53/62/801025362.db2.gz ZEDNPNZKYFPBIJ-DZGCQCFKSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001035764841 801060692 /nfs/dbraw/zinc/06/06/92/801060692.db2.gz NNUNDKAKCDTMHQ-UHFFFAOYSA-N 0 3 290.451 3.089 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001038107037 801118573 /nfs/dbraw/zinc/11/85/73/801118573.db2.gz ZTELSSICKXRKSD-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001038107036 801119083 /nfs/dbraw/zinc/11/90/83/801119083.db2.gz ZTELSSICKXRKSD-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038824307 801134212 /nfs/dbraw/zinc/13/42/12/801134212.db2.gz ZSHZLEJHUGQTNA-AWEZNQCLSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001038956124 801138306 /nfs/dbraw/zinc/13/83/06/801138306.db2.gz MGEJWDZPIFTTAK-SFHVURJKSA-N 0 3 294.398 3.220 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(C)cc2C)CC1 ZINC001045632150 801283370 /nfs/dbraw/zinc/28/33/70/801283370.db2.gz JANAKYFTOLKKOB-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccccc2Cl)CC1 ZINC001045626500 801283680 /nfs/dbraw/zinc/28/36/80/801283680.db2.gz JIALRONQOWGEMB-UHFFFAOYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001046492425 801312706 /nfs/dbraw/zinc/31/27/06/801312706.db2.gz KSDMUGDJAVABAS-QGZVFWFLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046792081 801324853 /nfs/dbraw/zinc/32/48/53/801324853.db2.gz BNOKWOCOHLGGDL-GOSISDBHSA-N 0 3 286.419 3.190 20 30 CGEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046792277 801325156 /nfs/dbraw/zinc/32/51/56/801325156.db2.gz COVFKVJVTZLAMV-IBGZPJMESA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049743677 801387179 /nfs/dbraw/zinc/38/71/79/801387179.db2.gz RTQYXMPFLHMTLQ-DLBZAZTESA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CCCC1 ZINC001049834752 801389400 /nfs/dbraw/zinc/38/94/00/801389400.db2.gz DELJPWXPYPUAPL-BHYGNILZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(CC)cc1 ZINC001049875934 801391088 /nfs/dbraw/zinc/39/10/88/801391088.db2.gz NKRDVJXRHRSYKX-QZTJIDSGSA-N 0 3 298.430 3.114 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccsc2C)CC[C@H]1C ZINC001071493309 801541094 /nfs/dbraw/zinc/54/10/94/801541094.db2.gz ACXZQGALWREUAX-OCCSQVGLSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)cc2)CC[C@@H]1C ZINC001072011737 801558983 /nfs/dbraw/zinc/55/89/83/801558983.db2.gz BVNUTCFOELYXNF-RDJZCZTQSA-N 0 3 286.419 3.154 20 30 CGEDHN C=Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=C)C)C[C@H]32)cc1 ZINC001076277373 801615808 /nfs/dbraw/zinc/61/58/08/801615808.db2.gz MDMFCWRPGGVJFG-ZWKOTPCHSA-N 0 3 296.414 3.052 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001081018741 801659203 /nfs/dbraw/zinc/65/92/03/801659203.db2.gz LNMQKORTDLEJJJ-OWCLPIDISA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085610700 801696886 /nfs/dbraw/zinc/69/68/86/801696886.db2.gz ZLMLCFIYWBVCKZ-INIZCTEOSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085670496 801698453 /nfs/dbraw/zinc/69/84/53/801698453.db2.gz XGBYVCKIFWYGIL-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCCC1)C2 ZINC001095144990 801880880 /nfs/dbraw/zinc/88/08/80/801880880.db2.gz HWBOERJSJYBRCW-IKGGRYGDSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC=CCC1)C2 ZINC001095876439 801885186 /nfs/dbraw/zinc/88/51/86/801885186.db2.gz OJAGESIOIJPZJT-YVSFHVDLSA-N 0 3 288.435 3.030 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\CC ZINC001098944010 801922531 /nfs/dbraw/zinc/92/25/31/801922531.db2.gz HEPHMQJZQJXQSX-OWTLUSIOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CC(C)C)CC2)C1 ZINC001100395458 801949397 /nfs/dbraw/zinc/94/93/97/801949397.db2.gz CMKOTCNXMSSIMY-UHFFFAOYSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(CC)CC)C2 ZINC001109471576 802117429 /nfs/dbraw/zinc/11/74/29/802117429.db2.gz ATIBXKYFPUPLHD-SIXLDLHFSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)C(C)C)C2 ZINC001109779937 802125891 /nfs/dbraw/zinc/12/58/91/802125891.db2.gz BUPOEGHFWQGVAE-QZWWFDLISA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(F)CCCC)C2 ZINC001110742650 802147038 /nfs/dbraw/zinc/14/70/38/802147038.db2.gz NVMKXVIUYCJZOV-PNBKFKSVSA-N 0 3 296.430 3.202 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C2 ZINC001111323406 802158920 /nfs/dbraw/zinc/15/89/20/802158920.db2.gz ZXTJIDIDMQMEDT-FPCVCCKLSA-N 0 3 292.467 3.356 20 30 CGEDHN C[C@H](Cc1ccncc1)N(CCC#N)C1CCCC1 ZINC001256743756 806968049 /nfs/dbraw/zinc/96/80/49/806968049.db2.gz SQJFLVLXSXIKJE-CQSZACIVSA-N 0 3 257.381 3.171 20 30 CGEDHN C=CCCCC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113282116 802212237 /nfs/dbraw/zinc/21/22/37/802212237.db2.gz LGTXFAIKWLBROJ-INIZCTEOSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001113452928 802223028 /nfs/dbraw/zinc/22/30/28/802223028.db2.gz NLIOOUCBRHHWEO-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCCCC)C(C)C ZINC001115095976 802251589 /nfs/dbraw/zinc/25/15/89/802251589.db2.gz NEFHKXSWMYLZFV-NCOADZHNSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccoc2)CC1 ZINC001266384454 808254446 /nfs/dbraw/zinc/25/44/46/808254446.db2.gz JMFKNEPCCIIGPN-UHFFFAOYSA-N 0 3 290.407 3.172 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC2(C)C)CC1 ZINC001266386404 808254476 /nfs/dbraw/zinc/25/44/76/808254476.db2.gz DOIIXBHPCIKQRI-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C2(CCF)CC2)CC1 ZINC001266388727 808254907 /nfs/dbraw/zinc/25/49/07/808254907.db2.gz OKEGLKFATXAJKR-UHFFFAOYSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001275411964 808934843 /nfs/dbraw/zinc/93/48/43/808934843.db2.gz DLHQWLUCJAGMTB-MNOVXSKESA-N 0 3 293.238 3.145 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@H]([C@H]2CCCN2CCF)C1 ZINC001120423443 802744879 /nfs/dbraw/zinc/74/48/79/802744879.db2.gz UOAFJZZQIZRENE-JKSUJKDBSA-N 0 3 296.430 3.015 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)c1c(C)noc1C ZINC001121961057 802854143 /nfs/dbraw/zinc/85/41/43/802854143.db2.gz ZLHSKVUMVOBBOB-CQSZACIVSA-N 0 3 295.427 3.332 20 30 CGEDHN C[C@@H]1CCc2c(scc2C(=O)C(C#N)c2nccn2C)C1 ZINC001122609660 802876898 /nfs/dbraw/zinc/87/68/98/802876898.db2.gz LUPVIYMZXPTCRR-ZYHUDNBSSA-N 0 3 299.399 3.096 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCC1CCCC1 ZINC001123236783 802920669 /nfs/dbraw/zinc/92/06/69/802920669.db2.gz CCEJJEHVGFYTQK-AWEZNQCLSA-N 0 3 273.380 3.440 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001123335992 802929765 /nfs/dbraw/zinc/92/97/65/802929765.db2.gz AXYOUZMFWXZWMJ-BAPHQMLMSA-N 0 3 297.402 3.152 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001123336529 802929895 /nfs/dbraw/zinc/92/98/95/802929895.db2.gz IGELDMQWBJPLMQ-SWLSCSKDSA-N 0 3 299.349 3.097 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@@H]1C ZINC001131912084 803357290 /nfs/dbraw/zinc/35/72/90/803357290.db2.gz RQSRCHZDLKOZFF-VUFKQPGHSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131989165 803364365 /nfs/dbraw/zinc/36/43/65/803364365.db2.gz UPUBAONNEDWLPH-ZBFHGGJFSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001132227273 803381657 /nfs/dbraw/zinc/38/16/57/803381657.db2.gz BFVCFUXMNSTJOQ-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132413713 803402485 /nfs/dbraw/zinc/40/24/85/803402485.db2.gz GDIXTTQWNLLROW-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001132671567 803426748 /nfs/dbraw/zinc/42/67/48/803426748.db2.gz WHCIQQRUCIILHV-UONOGXRCSA-N 0 3 292.398 3.195 20 30 CGEDHN N#C[C@H]1CCCN(Cc2c[nH]c3c2cccc3F)CC1 ZINC001137057681 803676921 /nfs/dbraw/zinc/67/69/21/803676921.db2.gz LZLKDTPRQNGVHI-LBPRGKRZSA-N 0 3 271.339 3.433 20 30 CGEDHN COc1ccc(CN2CCC[C@H]2C(C)C)c(C#N)c1 ZINC001137706196 803762769 /nfs/dbraw/zinc/76/27/69/803762769.db2.gz REAUCWDKCDFDQG-INIZCTEOSA-N 0 3 258.365 3.187 20 30 CGEDHN COc1ccc(-c2ccc(C#N)cc2)cc1CN(C)C ZINC001245496467 803767106 /nfs/dbraw/zinc/76/71/06/803767106.db2.gz AYTFKQGXRAGFMK-UHFFFAOYSA-N 0 3 266.344 3.295 20 30 CGEDHN SC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC001138156102 803867939 /nfs/dbraw/zinc/86/79/39/803867939.db2.gz FCGLHGZRIJQSFP-UHFFFAOYSA-N 0 3 279.434 3.032 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H](C(F)F)C2)cc1 ZINC001138557264 803966733 /nfs/dbraw/zinc/96/67/33/803966733.db2.gz DPKVMQGLUPHXFU-AWEZNQCLSA-N 0 3 279.330 3.176 20 30 CGEDHN COc1cc(CN2CCC(S)CC2)ccc1OC(C)C ZINC001138573693 803972600 /nfs/dbraw/zinc/97/26/00/803972600.db2.gz CKTRGUACJGIHIV-UHFFFAOYSA-N 0 3 295.448 3.377 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c1[O-] ZINC001138625594 803983621 /nfs/dbraw/zinc/98/36/21/803983621.db2.gz PTAFCXJYYDAUBE-GOSISDBHSA-N 0 3 287.403 3.266 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1[O-] ZINC001138625594 803983633 /nfs/dbraw/zinc/98/36/33/803983633.db2.gz PTAFCXJYYDAUBE-GOSISDBHSA-N 0 3 287.403 3.266 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1[O-] ZINC001138629573 803986210 /nfs/dbraw/zinc/98/62/10/803986210.db2.gz DQGRNRIPCYKBHV-MRXNPFEDSA-N 0 3 275.392 3.120 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1[O-] ZINC001138629573 803986214 /nfs/dbraw/zinc/98/62/14/803986214.db2.gz DQGRNRIPCYKBHV-MRXNPFEDSA-N 0 3 275.392 3.120 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@@H]2OCC[C@H]2C1 ZINC001138664931 803997267 /nfs/dbraw/zinc/99/72/67/803997267.db2.gz AUYGBQOTDFTARS-WMZOPIPTSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC001139026793 804111659 /nfs/dbraw/zinc/11/16/59/804111659.db2.gz AROGZUVBXUPPDN-WMZOPIPTSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001139029015 804112102 /nfs/dbraw/zinc/11/21/02/804112102.db2.gz NGUZUXWIEHEVAS-YJBOKZPZSA-N 0 3 287.403 3.252 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@H]4CCCO[C@@H]4C3)c[nH]c21 ZINC001139704471 804259742 /nfs/dbraw/zinc/25/97/42/804259742.db2.gz VVIYQKDFEMOOMF-CXAGYDPISA-N 0 3 295.386 3.040 20 30 CGEDHN CN(C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437394 804435401 /nfs/dbraw/zinc/43/54/01/804435401.db2.gz DRJHYNWINIZYIV-UHFFFAOYSA-N 0 3 299.374 3.358 20 30 CGEDHN CC(C)N1CCN(Cc2cccc(C#N)c2Cl)C[C@@H]1C ZINC001140814336 804526708 /nfs/dbraw/zinc/52/67/08/804526708.db2.gz HZDQXHGGYAIHKN-ZDUSSCGKSA-N 0 3 291.826 3.126 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141187267 804606445 /nfs/dbraw/zinc/60/64/45/804606445.db2.gz DVLMDNTZEAGXAW-UHFFFAOYSA-N 0 3 292.386 3.269 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)nc2C)C1 ZINC001141433112 804641255 /nfs/dbraw/zinc/64/12/55/804641255.db2.gz ZKMPAZUKGHJYJU-GFCCVEGCSA-N 0 3 282.309 3.254 20 30 CGEDHN C=CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC001141705581 804665113 /nfs/dbraw/zinc/66/51/13/804665113.db2.gz RSRJOUQPYUEHSI-OAGGEKHMSA-N 0 3 286.419 3.467 20 30 CGEDHN CSc1ccc(CN2CCC(S)CC2)s1 ZINC001142027994 804690494 /nfs/dbraw/zinc/69/04/94/804690494.db2.gz ZKFNDILKGBTUBC-UHFFFAOYSA-N 0 3 259.465 3.364 20 30 CGEDHN N#Cc1ccc2c(CN3CC[C@H]4OCCC[C@@H]4C3)c[nH]c2c1 ZINC001142912007 804783791 /nfs/dbraw/zinc/78/37/91/804783791.db2.gz RGDQAZQWQPUSSV-RDTXWAMCSA-N 0 3 295.386 3.040 20 30 CGEDHN CN(CCc1cccc(Cl)c1)Cc1ccc(C#N)cn1 ZINC001144163168 804946827 /nfs/dbraw/zinc/94/68/27/804946827.db2.gz RGEFPIMPEMPHQB-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144414345 804983042 /nfs/dbraw/zinc/98/30/42/804983042.db2.gz BWVBEJGEJUQOII-LLVKDONJSA-N 0 3 288.782 3.342 20 30 CGEDHN CCc1cc(C#N)ccc1CN(C)C[C@@H]1CCCCO1 ZINC001248751482 804984103 /nfs/dbraw/zinc/98/41/03/804984103.db2.gz XZGFKXOCARVLNZ-KRWDZBQOSA-N 0 3 272.392 3.122 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC(CF)CC3)[nH]c2c1 ZINC001249429315 805146729 /nfs/dbraw/zinc/14/67/29/805146729.db2.gz WHZHLSCVHDDEBT-UHFFFAOYSA-N 0 3 271.339 3.221 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1csc(C)c1 ZINC001152312778 805344097 /nfs/dbraw/zinc/34/40/97/805344097.db2.gz AZLBRTJSJJMTCW-CYBMUJFWSA-N 0 3 294.464 3.349 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCC[C@H](C)CCC ZINC001153566688 805403121 /nfs/dbraw/zinc/40/31/21/805403121.db2.gz JPZVYBQYEIGABO-HZPDHXFCSA-N 0 3 280.456 3.053 20 30 CGEDHN CCOC(=O)c1ccc(C[C@@H](C)N[C@H](CC)CC#N)cc1 ZINC001257150833 807056720 /nfs/dbraw/zinc/05/67/20/807056720.db2.gz GYGAQVRXGPSUGB-CZUORRHYSA-N 0 3 288.391 3.076 20 30 CGEDHN CCCCOC(=O)CC[C@H](C)NCC#Cc1ccccc1 ZINC001257386782 807135227 /nfs/dbraw/zinc/13/52/27/807135227.db2.gz YULGFAFERPKOEM-INIZCTEOSA-N 0 3 287.403 3.140 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)CCCCC ZINC001167694365 807227920 /nfs/dbraw/zinc/22/79/20/807227920.db2.gz TTZXWPDLVPMQBG-ZDUSSCGKSA-N 0 3 288.863 3.441 20 30 CGEDHN C[C@@H](CC1CC1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001258474067 807472887 /nfs/dbraw/zinc/47/28/87/807472887.db2.gz QMRQKGUNFDLMDE-ZDUSSCGKSA-N 0 3 287.382 3.008 20 30 CGEDHN CC1(C)CC[C@@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001258594206 807494702 /nfs/dbraw/zinc/49/47/02/807494702.db2.gz DDPLGGPJODIAGO-SNVBAGLBSA-N 0 3 251.761 3.019 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H](C)C[C@@H]1C(=O)OCC ZINC001258732177 807577670 /nfs/dbraw/zinc/57/76/70/807577670.db2.gz JNULRFZHBGQDEH-MGPQQGTHSA-N 0 3 253.386 3.005 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1c[nH]nc1C(C)(C)C ZINC001262012296 807805255 /nfs/dbraw/zinc/80/52/55/807805255.db2.gz QXURKRSWEAMGFY-UHFFFAOYSA-N 0 3 296.418 3.253 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)c1ccc(SC)cc1 ZINC001263083628 807932277 /nfs/dbraw/zinc/93/22/77/807932277.db2.gz UFOLOOADFBWYMM-CQSZACIVSA-N 0 3 278.421 3.055 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(CC)CCCC1 ZINC001263616984 807978904 /nfs/dbraw/zinc/97/89/04/807978904.db2.gz PJLCARNWJJCYGH-GFCCVEGCSA-N 0 3 259.353 3.050 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)n1nc(CN)c2ccccc21 ZINC001171181232 808002458 /nfs/dbraw/zinc/00/24/58/808002458.db2.gz IRILEXNIWTZULD-CYBMUJFWSA-N 0 3 290.370 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)[C@H]1C ZINC001264179141 808043777 /nfs/dbraw/zinc/04/37/77/808043777.db2.gz JSVXFJWYYXFSQK-BHMLKFMNSA-N 0 3 298.430 3.163 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C/C=C(/C)C=C ZINC001264184038 808045230 /nfs/dbraw/zinc/04/52/30/808045230.db2.gz BYDOBRCDLXWISO-IZNAZMGOSA-N 0 3 276.424 3.008 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463331 808066235 /nfs/dbraw/zinc/06/62/35/808066235.db2.gz QSGCRSMGURZUML-CHWSQXEVSA-N 0 3 264.319 3.104 20 30 CGEDHN N#C[C@H]1CCCN([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171492671 808076506 /nfs/dbraw/zinc/07/65/06/808076506.db2.gz GYTIZTAIUZNXCM-WFASDCNBSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccsc1C ZINC001264740118 808089817 /nfs/dbraw/zinc/08/98/17/808089817.db2.gz FIDAVCYBLPFVHG-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC001171847816 808149462 /nfs/dbraw/zinc/14/94/62/808149462.db2.gz UCWYLAFUISFMOY-ZFWWWQNUSA-N 0 3 279.424 3.395 20 30 CGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001265655512 808166512 /nfs/dbraw/zinc/16/65/12/808166512.db2.gz JOSZVSYDFAFMDH-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCC1(C#N)CCCC1 ZINC001172293165 808217774 /nfs/dbraw/zinc/21/77/74/808217774.db2.gz SJJIOCFUKBNHHZ-AWEZNQCLSA-N 0 3 267.376 3.163 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@H]1c1ncccn1 ZINC001172317065 808226660 /nfs/dbraw/zinc/22/66/60/808226660.db2.gz PFPWSIDSYZCFTC-YOEHRIQHSA-N 0 3 292.386 3.116 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@@H](C)c1ccccc1 ZINC001266309271 808239368 /nfs/dbraw/zinc/23/93/68/808239368.db2.gz RZTKBUBFUJZIFL-AWEZNQCLSA-N 0 3 274.408 3.008 20 30 CGEDHN C=CCN(CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1CC1 ZINC001266615602 808296099 /nfs/dbraw/zinc/29/60/99/808296099.db2.gz NJJOFZYLVLCLIL-WKILWMFISA-N 0 3 292.467 3.215 20 30 CGEDHN C[C@@H](CCCC#N)NCc1cn(Cc2ccccc2)cn1 ZINC001172492107 808351798 /nfs/dbraw/zinc/35/17/98/808351798.db2.gz KOSDDEQRTAAUTG-HNNXBMFYSA-N 0 3 282.391 3.103 20 30 CGEDHN C[C@H](CCCC#N)N1CCc2nn(-c3ccccc3)cc2C1 ZINC001172498509 808355864 /nfs/dbraw/zinc/35/58/64/808355864.db2.gz NRKCNBWFKKAKMJ-OAHLLOKOSA-N 0 3 294.402 3.313 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001267104055 808357339 /nfs/dbraw/zinc/35/73/39/808357339.db2.gz LBOBUSTZXLOPPP-SJORKVTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1CCCC1 ZINC001267157394 808369361 /nfs/dbraw/zinc/36/93/61/808369361.db2.gz DEKAGHAPYQSKNG-OAHLLOKOSA-N 0 3 298.858 3.290 20 30 CGEDHN C=CCN(C)CCNC(=O)c1ccccc1C(C)(C)CC ZINC001267204362 808381416 /nfs/dbraw/zinc/38/14/16/808381416.db2.gz YVDBKOIZWAZHEI-UHFFFAOYSA-N 0 3 288.435 3.222 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC001267350609 808420477 /nfs/dbraw/zinc/42/04/77/808420477.db2.gz GIVSTPFLBJDUBF-SJLPKXTDSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C\CC ZINC001267409317 808424053 /nfs/dbraw/zinc/42/40/53/808424053.db2.gz DNZJWDTWOPXDAJ-YKZUCCNHSA-N 0 3 290.451 3.374 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C(C)(CC)CC)C(C)C ZINC001268226780 808562178 /nfs/dbraw/zinc/56/21/78/808562178.db2.gz DGOWXQVTQFSRRW-CYBMUJFWSA-N 0 3 288.863 3.296 20 30 CGEDHN C=CCOC1CCC(NCC(=O)c2cccc(F)c2)CC1 ZINC001173318944 808610251 /nfs/dbraw/zinc/61/02/51/808610251.db2.gz RCPQYLFDCBFGIJ-UHFFFAOYSA-N 0 3 291.366 3.112 20 30 CGEDHN COc1cc(C#N)ccc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213074416 815223156 /nfs/dbraw/zinc/22/31/56/815223156.db2.gz UBDPYHPAYSJUFT-UHFFFAOYSA-N 0 3 278.315 3.495 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001269301268 808666379 /nfs/dbraw/zinc/66/63/79/808666379.db2.gz IVUZIVKYPJEIKF-XFHJGTJQSA-N 0 3 298.430 3.117 20 30 CGEDHN C=CCCCN1CCCC[C@]12CC(=O)N(CCCC)C2 ZINC001273486105 808848504 /nfs/dbraw/zinc/84/85/04/808848504.db2.gz CCUPQFWXIXLGJR-QGZVFWFLSA-N 0 3 278.440 3.210 20 30 CGEDHN C=CCN1CC[C@@]2(CCCN2Cc2cccc(CC)c2)C1=O ZINC001273651683 808857779 /nfs/dbraw/zinc/85/77/79/808857779.db2.gz PYQCXOAHOLLVLK-IBGZPJMESA-N 0 3 298.430 3.002 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CCCC ZINC001275086544 808905691 /nfs/dbraw/zinc/90/56/91/808905691.db2.gz DCDRYRIYPIRARA-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN CCCCCCCCN1CC2(C1)CN(C(=O)NC(C)C)C2 ZINC001275131645 808914200 /nfs/dbraw/zinc/91/42/00/808914200.db2.gz WBNCBBURFZTJOQ-UHFFFAOYSA-N 0 3 295.471 3.083 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C2CC2)cc1 ZINC001275166997 808918273 /nfs/dbraw/zinc/91/82/73/808918273.db2.gz KJFVOBRPMUKVJU-SFHVURJKSA-N 0 3 298.430 3.286 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001275628956 808953370 /nfs/dbraw/zinc/95/33/70/808953370.db2.gz IHXWZTIJZPBDJF-CVEARBPZSA-N 0 3 288.435 3.225 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@]1(C)C=CCC1 ZINC001275704081 808958129 /nfs/dbraw/zinc/95/81/29/808958129.db2.gz KGGVKXLQHALGCH-INIZCTEOSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1occc1-c1ccccc1 ZINC001275872848 808972608 /nfs/dbraw/zinc/97/26/08/808972608.db2.gz GFCXDBRLLVLHLL-CQSZACIVSA-N 0 3 298.386 3.183 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001276891768 809042594 /nfs/dbraw/zinc/04/25/94/809042594.db2.gz MGJRBOZNZDPFJY-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001276941805 809047317 /nfs/dbraw/zinc/04/73/17/809047317.db2.gz QPHFJDDGHGZBJF-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001277040497 809056437 /nfs/dbraw/zinc/05/64/37/809056437.db2.gz VNXXQKUNWLDORV-AJNGGQMLSA-N 0 3 298.858 3.050 20 30 CGEDHN Cc1cnccc1Nc1ccc(Br)cc1C#N ZINC001174537905 809069670 /nfs/dbraw/zinc/06/96/70/809069670.db2.gz UUJFIGLIRBJVGO-UHFFFAOYSA-N 0 3 288.148 3.190 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001278072755 809114225 /nfs/dbraw/zinc/11/42/25/809114225.db2.gz ZBDTYRAHHPRPRM-ZDUSSCGKSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCCN(CC=C(C)C)[C@H]1C ZINC001278521258 809140609 /nfs/dbraw/zinc/14/06/09/809140609.db2.gz MQJWOBPUZQOFCR-JKSUJKDBSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C(CC)CC ZINC001280315443 809184207 /nfs/dbraw/zinc/18/42/07/809184207.db2.gz PJLZOWZFCFXCDH-UHFFFAOYSA-N 0 3 288.435 3.357 20 30 CGEDHN C=CCCC(=O)NCc1ccc2c(c1)CN(CC1CCC1)C2 ZINC001281285383 809207783 /nfs/dbraw/zinc/20/77/83/809207783.db2.gz YGSWRGIAPQQTLH-UHFFFAOYSA-N 0 3 298.430 3.385 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(CCC)CCC ZINC001281956350 809224663 /nfs/dbraw/zinc/22/46/63/809224663.db2.gz CLNRUKVSGPQKNV-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CC=CCC1 ZINC001282280605 809239860 /nfs/dbraw/zinc/23/98/60/809239860.db2.gz XKNLJJHXZWZFRI-AWEZNQCLSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001282666164 809258608 /nfs/dbraw/zinc/25/86/08/809258608.db2.gz JIWFZOWVQAIJBB-SJLPKXTDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C1CN(CC=C(C)C)C1 ZINC001282714722 809260464 /nfs/dbraw/zinc/26/04/64/809260464.db2.gz LLHBIDSWSCTOJA-HNNXBMFYSA-N 0 3 290.451 3.158 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001283310359 809275130 /nfs/dbraw/zinc/27/51/30/809275130.db2.gz KUESDYMKIHBHHQ-RMKNXTFCSA-N 0 3 298.858 3.264 20 30 CGEDHN N#Cc1cc(C(F)(F)F)ccc1Nc1ncc[nH]1 ZINC001176084981 809619294 /nfs/dbraw/zinc/61/92/94/809619294.db2.gz ZVLYUOVYJRYYEQ-UHFFFAOYSA-N 0 3 252.199 3.044 20 30 CGEDHN C#CCN(CCOCC(F)F)[C@@H]1CCCc2ccccc21 ZINC001176453000 809700478 /nfs/dbraw/zinc/70/04/78/809700478.db2.gz OXFJSHCPRXNWFX-MRXNPFEDSA-N 0 3 293.357 3.281 20 30 CGEDHN C=CCCCN(CC)CC(=O)N(CC(F)(F)F)C(C)C ZINC001176797853 809761684 /nfs/dbraw/zinc/76/16/84/809761684.db2.gz GCRWODFEDAHRHY-UHFFFAOYSA-N 0 3 294.361 3.074 20 30 CGEDHN C=C[C@@H](COC)NC/C=C\c1cc(C)c(C)cc1C ZINC001178537347 809873643 /nfs/dbraw/zinc/87/36/43/809873643.db2.gz NCMQRNFEUMPBGC-QWPQOLDESA-N 0 3 259.393 3.416 20 30 CGEDHN C=CCCC1(CNCc2cn(CCC)nn2)CCCC1 ZINC001179142556 809906584 /nfs/dbraw/zinc/90/65/84/809906584.db2.gz JDEVCDLHYXMYSV-UHFFFAOYSA-N 0 3 276.428 3.304 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2ccccc2)CCOCC1 ZINC001184276957 810187709 /nfs/dbraw/zinc/18/77/09/810187709.db2.gz JJBPXLOYMABOIB-DLBZAZTESA-N 0 3 284.403 3.233 20 30 CGEDHN CN(C)[C@@H](CNc1cc(F)ccc1C#N)c1ccsc1 ZINC001184767658 810218630 /nfs/dbraw/zinc/21/86/30/810218630.db2.gz RSIJMBSDUVJLIT-HNNXBMFYSA-N 0 3 289.379 3.474 20 30 CGEDHN C=C1CCC(C(=O)N2CC[C@@H](N(C)CC=C(C)C)C2)CC1 ZINC001192180829 810773414 /nfs/dbraw/zinc/77/34/14/810773414.db2.gz NEQFKTJSVFXGHT-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001192696110 810816988 /nfs/dbraw/zinc/81/69/88/810816988.db2.gz MIUKMLMVHACEBM-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001196724244 811358950 /nfs/dbraw/zinc/35/89/50/811358950.db2.gz DMSZGFHWWYUEHB-UHFFFAOYSA-N 0 3 298.446 3.263 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001196880506 811375438 /nfs/dbraw/zinc/37/54/38/811375438.db2.gz LFLGXGKRJOKFPM-TUYSUELWSA-N 0 3 292.467 3.479 20 30 CGEDHN C=CCC[C@@H]1CCCN1CCCS(=O)(=O)C(C)(C)C ZINC001198414296 811499035 /nfs/dbraw/zinc/49/90/35/811499035.db2.gz LGDOYYXJWGZYDJ-CQSZACIVSA-N 0 3 287.469 3.020 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001198457635 811505931 /nfs/dbraw/zinc/50/59/31/811505931.db2.gz GANRPZRAPJLLKI-AWEZNQCLSA-N 0 3 290.407 3.310 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@H]1Cc1ccccn1 ZINC001204370374 812622373 /nfs/dbraw/zinc/62/23/73/812622373.db2.gz ZMMYOJOOKPBJIX-SFHVURJKSA-N 0 3 277.371 3.160 20 30 CGEDHN N#Cc1cc(CN2CC[C@H]3CCC[C@@H]3C2)ccc1F ZINC001205459206 812986133 /nfs/dbraw/zinc/98/61/33/812986133.db2.gz HILQBVJVDZNPPP-ZIAGYGMSSA-N 0 3 258.340 3.319 20 30 CGEDHN COC(C)(C)[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC001205493778 812991125 /nfs/dbraw/zinc/99/11/25/812991125.db2.gz PSFRLCWXRFFVRY-OAHLLOKOSA-N 0 3 276.355 3.087 20 30 CGEDHN C=CCN(CCN1CCCCC12CC2)C(=O)OC(C)(C)C ZINC001207204035 813515133 /nfs/dbraw/zinc/51/51/33/813515133.db2.gz ZMAXUHXZWKCNME-UHFFFAOYSA-N 0 3 294.439 3.428 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001207784282 813649850 /nfs/dbraw/zinc/64/98/50/813649850.db2.gz HXNMLIGTWLSMTG-IIAWOOMASA-N 0 3 280.456 3.071 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](CO)c2cc(F)ccc2F)C1 ZINC001207793630 813652506 /nfs/dbraw/zinc/65/25/06/813652506.db2.gz PHQAHSSOGGBAMO-PVXIVEMSSA-N 0 3 281.346 3.333 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCC[C@@H](NC(=O)CC)C2)CC1 ZINC001208179051 813730399 /nfs/dbraw/zinc/73/03/99/813730399.db2.gz KFYZNVXCEJRMNS-IAGOWNOFSA-N 0 3 290.451 3.280 20 30 CGEDHN C[C@@]1(F)CCCN(CCCc2ccc(C#N)cc2)C1 ZINC001208857216 813868227 /nfs/dbraw/zinc/86/82/27/813868227.db2.gz XWVILNSFKROXNR-MRXNPFEDSA-N 0 3 260.356 3.315 20 30 CGEDHN C=CCCCN1CCCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209158980 813952500 /nfs/dbraw/zinc/95/25/00/813952500.db2.gz XXIRUDSXLIRWTD-UHFFFAOYSA-N 0 3 294.439 3.428 20 30 CGEDHN C=CCCCCN1CCN(c2ccc(F)c(F)c2)CC1 ZINC001209200167 813965019 /nfs/dbraw/zinc/96/50/19/813965019.db2.gz CTMMJEBKVAQEDA-UHFFFAOYSA-N 0 3 280.362 3.443 20 30 CGEDHN C=CCCCCN1CCc2cc(OC)c(OC)cc2C1 ZINC001209202378 813967191 /nfs/dbraw/zinc/96/71/91/813967191.db2.gz GCWWDAGOUZEHNZ-UHFFFAOYSA-N 0 3 275.392 3.418 20 30 CGEDHN C#CCCCN1CCN(Cc2ccc3ccccc3c2)CC1 ZINC001209269420 813989590 /nfs/dbraw/zinc/98/95/90/813989590.db2.gz JTWSZZAJIJWFNI-UHFFFAOYSA-N 0 3 292.426 3.371 20 30 CGEDHN CCCN(CCC#N)CCCCCNC(=O)OC(C)(C)C ZINC001209372578 814005228 /nfs/dbraw/zinc/00/52/28/814005228.db2.gz BWTHMTUHYYFNIT-UHFFFAOYSA-N 0 3 297.443 3.307 20 30 CGEDHN C=CCCCCCCN1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001209435014 814035416 /nfs/dbraw/zinc/03/54/16/814035416.db2.gz BXUKOLARMRBGFV-MRXNPFEDSA-N 0 3 291.439 3.102 20 30 CGEDHN C=CCCCCCCCN1CCN(CC=C)CC1 ZINC001209438182 814036737 /nfs/dbraw/zinc/03/67/37/814036737.db2.gz BEVNVVKGXKQKLY-UHFFFAOYSA-N 0 3 250.430 3.317 20 30 CGEDHN C=CCCCCCCCCN1CC[C@](F)(CO)C1 ZINC001209442319 814043202 /nfs/dbraw/zinc/04/32/02/814043202.db2.gz FMXHGPWWKMSWNF-OAHLLOKOSA-N 0 3 257.393 3.309 20 30 CGEDHN C=CCCC1(C(=O)N2CCC[C@@H](NC[C@H](F)CC)C2)CC1 ZINC001209494270 814062451 /nfs/dbraw/zinc/06/24/51/814062451.db2.gz SNEWSJMWQVOOLR-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001209656130 814108459 /nfs/dbraw/zinc/10/84/59/814108459.db2.gz ASMXKNXMEWKWEO-BZUAXINKSA-N 0 3 280.456 3.215 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692787 814113167 /nfs/dbraw/zinc/11/31/67/814113167.db2.gz WLVKCFBXEKHWIB-LBPRGKRZSA-N 0 3 271.339 3.433 20 30 CGEDHN N#C[C@H]1CNC[C@H]1OCc1ccc(Oc2ccccc2)cc1 ZINC001217832389 815972430 /nfs/dbraw/zinc/97/24/30/815972430.db2.gz OFQJICKAWGTMDD-MAUKXSAKSA-N 0 3 294.354 3.107 20 30 CGEDHN C[C@@H](C#N)c1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1 ZINC001218871138 816256360 /nfs/dbraw/zinc/25/63/60/816256360.db2.gz HTWXMWFDCVMTKG-LRDDRELGSA-N 0 3 285.391 3.160 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2oncc2c1 ZINC001218943089 816258870 /nfs/dbraw/zinc/25/88/70/816258870.db2.gz WKZBMLLQBDFOJH-AWEZNQCLSA-N 0 3 287.363 3.230 20 30 CGEDHN C=C(C)CCC(=O)N1CC[C@H]2CCN(C[C@@H](F)CC)[C@H]2C1 ZINC001222790572 816518303 /nfs/dbraw/zinc/51/83/03/816518303.db2.gz ZQSVKVWZWAVCST-PMPSAXMXSA-N 0 3 296.430 3.014 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001224187663 816751310 /nfs/dbraw/zinc/75/13/10/816751310.db2.gz WXZSVKBHKCNTND-GOEBONIOSA-N 0 3 298.446 3.165 20 30 CGEDHN CCCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224569837 816828832 /nfs/dbraw/zinc/82/88/32/816828832.db2.gz APPCVUDQYLJTDO-NUEKZKHPSA-N 0 3 267.413 3.168 20 30 CGEDHN C=CCCC(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001226464086 817365840 /nfs/dbraw/zinc/36/58/40/817365840.db2.gz ZZWIERINLXJSEC-JXMROGBWSA-N 0 3 298.430 3.247 20 30 CGEDHN C#C[C@H](C)Oc1ccc2ccccc2c1CN(C)C ZINC001228440206 817906395 /nfs/dbraw/zinc/90/63/95/817906395.db2.gz AFZHHSKSJHKXQX-ZDUSSCGKSA-N 0 3 253.345 3.302 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCC1CCCC1 ZINC001231122960 818035506 /nfs/dbraw/zinc/03/55/06/818035506.db2.gz QLMYWMFZTBAMNQ-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN Cc1c(F)ccc(CN2CCC3SC(=O)C=C3C2)c1F ZINC001231476778 818104438 /nfs/dbraw/zinc/10/44/38/818104438.db2.gz UIBNUEXHRVNJBL-CYBMUJFWSA-N 0 3 295.354 3.047 20 30 CGEDHN Cc1cc(C)c(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001231483751 818107357 /nfs/dbraw/zinc/10/73/57/818107357.db2.gz YMKIWTHRXFNAOX-INIZCTEOSA-N 0 3 287.428 3.386 20 30 CGEDHN CO[C@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577337 818126721 /nfs/dbraw/zinc/12/67/21/818126721.db2.gz SHCJMBGNATZPGC-FQEVSTJZSA-N 0 3 291.394 3.307 20 30 CGEDHN C#Cc1cccc(CN2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC001231659948 818151855 /nfs/dbraw/zinc/15/18/55/818151855.db2.gz XPTOOQXXQZKEJO-HXUWFJFHSA-N 0 3 290.410 3.157 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001232112179 818259061 /nfs/dbraw/zinc/25/90/61/818259061.db2.gz QJOLAKDYSWFELZ-KBPBESRZSA-N 0 3 260.768 3.444 20 30 CGEDHN C[C@@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233099127 818521817 /nfs/dbraw/zinc/52/18/17/818521817.db2.gz PNRWXRFKHBXNOX-CYBMUJFWSA-N 0 3 289.398 3.385 20 30 CGEDHN C[C@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233099129 818522154 /nfs/dbraw/zinc/52/21/54/818522154.db2.gz PNRWXRFKHBXNOX-ZDUSSCGKSA-N 0 3 289.398 3.385 20 30 CGEDHN C#CCN(Cc1cc(C)c[nH]c1=O)[C@@H]1CCc2ccccc21 ZINC001233196661 818539240 /nfs/dbraw/zinc/53/92/40/818539240.db2.gz YWZSZFQYMQNIFJ-GOSISDBHSA-N 0 3 292.382 3.218 20 30 CGEDHN CC(C)N1CCC[C@@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233525872 818633628 /nfs/dbraw/zinc/63/36/28/818633628.db2.gz YGUXFBYPQWQNBB-CQSZACIVSA-N 0 3 286.375 3.035 20 30 CGEDHN C/C=C(/C)C(=O)N(C)C[C@@H]1CCN1CCCCCCC ZINC001233568921 818644209 /nfs/dbraw/zinc/64/42/09/818644209.db2.gz HIYHOVZRRHSSNF-PJVYJYFWSA-N 0 3 280.456 3.456 20 30 CGEDHN CCCCCCCN(C)Cc1ccc2c(n1)OCCO2 ZINC001233868523 818720229 /nfs/dbraw/zinc/72/02/29/818720229.db2.gz KTJBRSWFQVSUOD-UHFFFAOYSA-N 0 3 278.396 3.255 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866496 818720794 /nfs/dbraw/zinc/72/07/94/818720794.db2.gz RCJWSRDMOOXIKO-CJNGLKHVSA-N 0 3 290.407 3.089 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1ccccc1 ZINC001233947263 818737566 /nfs/dbraw/zinc/73/75/66/818737566.db2.gz JVNUJDPOIDEERD-WMZOPIPTSA-N 0 3 298.430 3.084 20 30 CGEDHN Cc1nnc(-c2ccc(CN3CCC[C@@H](C#N)CC3)cc2)o1 ZINC001235059915 818991932 /nfs/dbraw/zinc/99/19/32/818991932.db2.gz KPOJDTMZLIGFOV-CQSZACIVSA-N 0 3 296.374 3.171 20 30 CGEDHN C[C@H](c1ccccc1)N(CCO)Cc1cccc(C#N)c1 ZINC001236147106 819346698 /nfs/dbraw/zinc/34/66/98/819346698.db2.gz NUOAQAXMBSYACE-OAHLLOKOSA-N 0 3 280.371 3.114 20 30 CGEDHN N#C[C@H]1CCCN(Cc2ccc(F)c3cccnc23)CC1 ZINC001237425341 819747991 /nfs/dbraw/zinc/74/79/91/819747991.db2.gz GRKMDEMCLKGMKO-ZDUSSCGKSA-N 0 3 283.350 3.500 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN3CC[C@@H](C#N)C3)cc21 ZINC001237884274 819867878 /nfs/dbraw/zinc/86/78/78/819867878.db2.gz AGJLCFHERCLJSS-HNNXBMFYSA-N 0 3 281.403 3.033 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN3CCC[C@@H](C#N)C3)cc21 ZINC001237885209 819869442 /nfs/dbraw/zinc/86/94/42/819869442.db2.gz GVAVWVLQLAXIBT-INIZCTEOSA-N 0 3 295.430 3.423 20 30 CGEDHN N#Cc1cc(F)cc(-c2ccc3c(N)ccnc3c2)c1 ZINC001241658825 822034574 /nfs/dbraw/zinc/03/45/74/822034574.db2.gz MEPUZLVNLYBERA-UHFFFAOYSA-N 0 3 263.275 3.495 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@@H](CC)c1ccncc1 ZINC001340218178 936400889 /nfs/dbraw/zinc/40/08/89/936400889.db2.gz ZXBIAQXHNXEBQG-HOTGVXAUSA-N 0 3 289.423 3.065 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC)c1cc(F)ccc1F ZINC001340728677 936412399 /nfs/dbraw/zinc/41/23/99/936412399.db2.gz UWLXYNLZEOFUFX-LSDHHAIUSA-N 0 3 296.361 3.216 20 30 CGEDHN C=C1CCC(CNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC001341050731 936425863 /nfs/dbraw/zinc/42/58/63/936425863.db2.gz KZDQCZWFEMYEKA-QGZVFWFLSA-N 0 3 284.403 3.084 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c(SC)c1 ZINC001341321841 936434837 /nfs/dbraw/zinc/43/48/37/936434837.db2.gz YCDVWNVXCOWALB-ZDUSSCGKSA-N 0 3 278.421 3.339 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c2ncccc12 ZINC001341553644 936442160 /nfs/dbraw/zinc/44/21/60/936442160.db2.gz QZQSXGBZEJLNKO-AWEZNQCLSA-N 0 3 283.375 3.165 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCCC12CCCC2 ZINC001342738937 936477763 /nfs/dbraw/zinc/47/77/63/936477763.db2.gz OJKRBDCICYLTJT-CABCVRRESA-N 0 3 291.439 3.017 20 30 CGEDHN Cn1cc(-c2ccc(CN3CCC(C)(C#N)CC3)cc2)cn1 ZINC001344378125 936532199 /nfs/dbraw/zinc/53/21/99/936532199.db2.gz NSLOIMRNYQOHDT-UHFFFAOYSA-N 0 3 294.402 3.213 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C12CCC(CC1)CC2 ZINC001345646464 936819507 /nfs/dbraw/zinc/81/95/07/936819507.db2.gz KLPFUIBGJKUJGT-MFOWVQHXSA-N 0 3 271.364 3.050 20 30 CGEDHN C[C@@H](Cc1ccco1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346001251 936833526 /nfs/dbraw/zinc/83/35/26/936833526.db2.gz WWUIAYOAUFDWSE-JOYOIKCWSA-N 0 3 290.269 3.008 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001346095971 936838001 /nfs/dbraw/zinc/83/80/01/936838001.db2.gz LWJTXTPECLXTDI-RBSFLKMASA-N 0 3 297.333 3.022 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cscc1Cl ZINC001347339180 936880047 /nfs/dbraw/zinc/88/00/47/936880047.db2.gz WEDMCSIIBDTBMX-MRVPVSSYSA-N 0 3 279.752 3.108 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2c(cccc2Cl)[nH]1 ZINC001349760956 936961315 /nfs/dbraw/zinc/96/13/15/936961315.db2.gz WQTBYZKVCKTFFV-ZDCRXTMVSA-N 0 3 299.761 3.439 20 30 CGEDHN CC(C)[C@]1(C)C[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001350352543 936988730 /nfs/dbraw/zinc/98/87/30/936988730.db2.gz FCVIMDOFHUKDPT-RWSFTLGLSA-N 0 3 278.302 3.218 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001483341293 927486310 /nfs/dbraw/zinc/48/63/10/927486310.db2.gz BSJDGAIPPSJHIT-AWEZNQCLSA-N 0 3 292.398 3.119 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)C/C=C/c1ccc(C)cc1 ZINC001483431370 927505407 /nfs/dbraw/zinc/50/54/07/927505407.db2.gz SMJQRRYLZGGGRG-MOEXGYKKSA-N 0 3 286.419 3.021 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001483662415 927562176 /nfs/dbraw/zinc/56/21/76/927562176.db2.gz UYYGTXADRZPBKH-GOEBONIOSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001483678882 927569150 /nfs/dbraw/zinc/56/91/50/927569150.db2.gz CYFXMYBDCSKWBZ-INIZCTEOSA-N 0 3 292.467 3.338 20 30 CGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](CC)CCCC)CC1 ZINC001483961502 927653619 /nfs/dbraw/zinc/65/36/19/927653619.db2.gz OJXLIKLKOHUZFY-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001484169689 927687287 /nfs/dbraw/zinc/68/72/87/927687287.db2.gz ZHIQEELVTHABBV-WMZOPIPTSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccc(C)o1 ZINC001484553037 927720678 /nfs/dbraw/zinc/72/06/78/927720678.db2.gz LZZIYITXOPVFFF-UHFFFAOYSA-N 0 3 298.386 3.136 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CC(C)C)cc1 ZINC001484556530 927721942 /nfs/dbraw/zinc/72/19/42/927721942.db2.gz ALDPIUZJKGIUDP-OAHLLOKOSA-N 0 3 286.419 3.023 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001485484798 927882153 /nfs/dbraw/zinc/88/21/53/927882153.db2.gz LNRVXNUXLDWNKX-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCC2CCC2)[C@@H]1C ZINC001486168900 927992883 /nfs/dbraw/zinc/99/28/83/927992883.db2.gz ATMGWJINAYHSCF-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CC[C@H](C)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001559543017 937210039 /nfs/dbraw/zinc/21/00/39/937210039.db2.gz KIAOELFXOGTBTB-MELADBBJSA-N 0 3 282.428 3.281 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)C[C@@H](C)CC)c(F)c1 ZINC001486523490 928033044 /nfs/dbraw/zinc/03/30/44/928033044.db2.gz XASLRYHMADJHSG-ZDUSSCGKSA-N 0 3 292.398 3.154 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001489325721 928326895 /nfs/dbraw/zinc/32/68/95/928326895.db2.gz HZTDGIOYQUHFDL-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001490789876 928389580 /nfs/dbraw/zinc/38/95/80/928389580.db2.gz SGDKLHOJPRWVLX-OAGGEKHMSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001453351602 937402271 /nfs/dbraw/zinc/40/22/71/937402271.db2.gz YWMDBDQSPZMZKT-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN N#Cc1ccnc(CN(CCc2ccc(F)cc2)C2CC2)c1 ZINC001459560730 937491773 /nfs/dbraw/zinc/49/17/73/937491773.db2.gz JJZBDFGQRSUOFO-UHFFFAOYSA-N 0 3 295.361 3.299 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001459635941 937494613 /nfs/dbraw/zinc/49/46/13/937494613.db2.gz SONFKSMNKLAPIS-HYVNUMGLSA-N 0 3 287.403 3.057 20 30 CGEDHN Cc1ccc(CN2CCCC[C@]23CCOC3)cc1C#N ZINC001460959375 937556399 /nfs/dbraw/zinc/55/63/99/937556399.db2.gz NCFGGCNRRPIQIU-QGZVFWFLSA-N 0 3 270.376 3.012 20 30 CGEDHN C=CCOc1ccccc1O[C@H]1CCCN(CC)C1 ZINC001229612070 932178041 /nfs/dbraw/zinc/17/80/41/932178041.db2.gz SEKBJUOTVIMROC-AWEZNQCLSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230675868 932607115 /nfs/dbraw/zinc/60/71/15/932607115.db2.gz KHIZIBRDUBCBPG-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1c[nH]c(=O)c2ccccc12 ZINC001307732505 932993027 /nfs/dbraw/zinc/99/30/27/932993027.db2.gz OJYRSTYWBLIDFL-CQSZACIVSA-N 0 3 268.360 3.481 20 30 CGEDHN CO[C@@]1(C)C[C@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001307778320 933000086 /nfs/dbraw/zinc/00/00/86/933000086.db2.gz JFBWINZLPKQLOZ-RDJZCZTQSA-N 0 3 291.822 3.485 20 30 CGEDHN C#CCN(Cc1ccc(OCC(F)(F)F)cc1)C(C)C ZINC001308098414 933048756 /nfs/dbraw/zinc/04/87/56/933048756.db2.gz NRQFNBVDFKBYBA-UHFFFAOYSA-N 0 3 285.309 3.471 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1c(F)cccc1F)C2 ZINC001308497704 933120769 /nfs/dbraw/zinc/12/07/69/933120769.db2.gz GTZXKPLCQQGIPK-AWEZNQCLSA-N 0 3 284.309 3.093 20 30 CGEDHN CC1(N2CCOCC2)CCC(Nc2cccc(C#N)c2)CC1 ZINC001308658033 933152085 /nfs/dbraw/zinc/15/20/85/933152085.db2.gz XZWMEHYABYJHTL-UHFFFAOYSA-N 0 3 299.418 3.004 20 30 CGEDHN C#Cc1ccc(CN2CCO[C@@H](C(C)(C)C)CC2)cc1 ZINC001308984980 933222437 /nfs/dbraw/zinc/22/24/37/933222437.db2.gz UIGNHFPSGPVWJO-QGZVFWFLSA-N 0 3 271.404 3.305 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001316783194 933481085 /nfs/dbraw/zinc/48/10/85/933481085.db2.gz KTPGIJDZLFEBSY-WBVHZDCISA-N 0 3 286.419 3.122 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1cc(C)ccc1F ZINC001317245437 933561637 /nfs/dbraw/zinc/56/16/37/933561637.db2.gz PNGXYJNGBOQDKO-AWEZNQCLSA-N 0 3 292.398 3.085 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001317502893 933604988 /nfs/dbraw/zinc/60/49/88/933604988.db2.gz LFXGQNLPFJIMKF-HOCLYGCPSA-N 0 3 284.419 3.062 20 30 CGEDHN C=CCN(CCNC(=O)c1ccc(CCC)cc1)C1CC1 ZINC001317556194 933621020 /nfs/dbraw/zinc/62/10/20/933621020.db2.gz DBFBCLPQHWVORV-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001318345498 933711782 /nfs/dbraw/zinc/71/17/82/933711782.db2.gz VBJZDRWPKKWJRQ-JKSUJKDBSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001318405732 933721267 /nfs/dbraw/zinc/72/12/67/933721267.db2.gz AKSSDANJHJVLFH-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(Cl)CNC[C@@]1(NC(=O)C=C(C)C)CCCC[C@H]1C ZINC001318738988 933770405 /nfs/dbraw/zinc/77/04/05/933770405.db2.gz AFRVYDBXLNTJBB-CJNGLKHVSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001467728759 937721599 /nfs/dbraw/zinc/72/15/99/937721599.db2.gz OVEVMTIXQGTDPT-IAGOWNOFSA-N 0 3 292.467 3.169 20 30 CGEDHN C[C@@H](NCc1cccc(OCC#N)c1)c1cccc(C#N)c1 ZINC001319951287 933964183 /nfs/dbraw/zinc/96/41/83/933964183.db2.gz JXGZUQDYDAGLPV-CQSZACIVSA-N 0 3 291.354 3.311 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC12CCCC2)C(C)C ZINC001319955256 933964697 /nfs/dbraw/zinc/96/46/97/933964697.db2.gz CSRABYFILLSKRM-ZIAGYGMSSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001323334541 934385416 /nfs/dbraw/zinc/38/54/16/934385416.db2.gz ICJBKQYKWPZIJX-CVEARBPZSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001323334546 934385579 /nfs/dbraw/zinc/38/55/79/934385579.db2.gz ICJBKQYKWPZIJX-JKSUJKDBSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC001472560848 937777559 /nfs/dbraw/zinc/77/75/59/937777559.db2.gz JBFXPJCESGHAMF-UONOGXRCSA-N 0 3 278.396 3.181 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC1(CC#N)CC1 ZINC001473283662 937800177 /nfs/dbraw/zinc/80/01/77/937800177.db2.gz SKDXDOCUMLLRNS-DLBZAZTESA-N 0 3 297.446 3.275 20 30 CGEDHN C#CCCN1CCN(Cc2c(C)c(C)c(C)c(C)c2C)CC1 ZINC001473351860 937803014 /nfs/dbraw/zinc/80/30/14/937803014.db2.gz CLBQQCYDXRKCFU-UHFFFAOYSA-N 0 3 298.474 3.370 20 30 CGEDHN C#CC1CCN([C@@H](CC)C(=O)N(C)c2ccc(C)cc2)CC1 ZINC001473582708 937812756 /nfs/dbraw/zinc/81/27/56/937812756.db2.gz XZYGBCDHVSHPBX-SFHVURJKSA-N 0 3 298.430 3.082 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CCC)C(C)C ZINC001325925381 934939615 /nfs/dbraw/zinc/93/96/15/934939615.db2.gz ZRWZHWZCHGKBKO-BRWVUGGUSA-N 0 3 292.467 3.310 20 30 CGEDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(C#N)cn1 ZINC001326609357 934994079 /nfs/dbraw/zinc/99/40/79/934994079.db2.gz CJEYQTWKORFCCP-DOMZBBRYSA-N 0 3 293.370 3.305 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCC(C)C)C1 ZINC001327938366 935100243 /nfs/dbraw/zinc/10/02/43/935100243.db2.gz FGWIEPPHFWAZGZ-QGZVFWFLSA-N 0 3 289.419 3.498 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)CCCCCC(C)C)C[C@H]1C ZINC001328279510 935127807 /nfs/dbraw/zinc/12/78/07/935127807.db2.gz OQZQZWDFIKNLFG-IAGOWNOFSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C=C)cc1 ZINC001328766454 935167364 /nfs/dbraw/zinc/16/73/64/935167364.db2.gz SBDDFSPOIGRIGN-KRWDZBQOSA-N 0 3 284.403 3.052 20 30 CGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001329397183 935211570 /nfs/dbraw/zinc/21/15/70/935211570.db2.gz OGIUXFKQXXDCGM-KBPBESRZSA-N 0 3 292.398 3.289 20 30 CGEDHN CC(C)(C)N1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC001329974720 935258228 /nfs/dbraw/zinc/25/82/28/935258228.db2.gz XOSIRIVZHHASRQ-UHFFFAOYSA-N 0 3 293.361 3.416 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC(C)C)C[C@@H]2C1 ZINC001330447235 935288650 /nfs/dbraw/zinc/28/86/50/935288650.db2.gz SADSNXNEQASNOQ-RRFJBIMHSA-N 0 3 298.858 3.002 20 30 CGEDHN C=CCC[C@@H](COc1ccccc1)NCc1cnc(C)o1 ZINC001330832044 935327960 /nfs/dbraw/zinc/32/79/60/935327960.db2.gz ORULCNUUVZRUGI-HNNXBMFYSA-N 0 3 286.375 3.486 20 30 CGEDHN C(=NN[C@H]1CCCSC1)c1ccc(N2CCCC2)cc1 ZINC001331363827 935373364 /nfs/dbraw/zinc/37/33/64/935373364.db2.gz LOZVAXQUZVFLSN-HNNXBMFYSA-N 0 3 289.448 3.106 20 30 CGEDHN C=CCO[C@H]1CCN(CCc2nsc3ccccc23)C1 ZINC001333585652 935549425 /nfs/dbraw/zinc/54/94/25/935549425.db2.gz FBFZOALLTZDVSI-ZDUSSCGKSA-N 0 3 288.416 3.116 20 30 CGEDHN C=C(C)CCC(=O)Nc1ccc(CN(C)C)cc1F ZINC001336519882 936197625 /nfs/dbraw/zinc/19/76/25/936197625.db2.gz GXNDZEZLVDIMMP-UHFFFAOYSA-N 0 3 264.344 3.182 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001338114076 936307124 /nfs/dbraw/zinc/30/71/24/936307124.db2.gz XPRNFUOKGRRHQU-ZYHUDNBSSA-N 0 3 289.297 3.437 20 30 CGEDHN CC#CCCNCc1ccc(C(=O)OC(C)(C)C)s1 ZINC001474407630 937857574 /nfs/dbraw/zinc/85/75/74/937857574.db2.gz AFLDRMOCGVCCLF-UHFFFAOYSA-N 0 3 279.405 3.206 20 30 CGEDHN C[C@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCOCC1 ZINC001474748269 937878677 /nfs/dbraw/zinc/87/86/77/937878677.db2.gz OOSARCOFTJFIHK-CYBMUJFWSA-N 0 3 292.810 3.181 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)CCC ZINC001479733476 937923993 /nfs/dbraw/zinc/92/39/93/937923993.db2.gz UCZQIEATUFKUSZ-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2CCC=CCC2)C1 ZINC001500552820 937978044 /nfs/dbraw/zinc/97/80/44/937978044.db2.gz MLGHXQYSRCDHMT-SFHVURJKSA-N 0 3 290.451 3.137 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)/C=C/C(C)(C)C)cc1 ZINC001501672448 937980260 /nfs/dbraw/zinc/98/02/60/937980260.db2.gz FGCOAQBWEDUBAX-AYJWMTRPSA-N 0 3 298.430 3.189 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001502139018 937981333 /nfs/dbraw/zinc/98/13/33/937981333.db2.gz ZOKLAFJLUYIPKY-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](CC)CCC)CCC[C@H]12 ZINC001507353143 937995310 /nfs/dbraw/zinc/99/53/10/937995310.db2.gz SZGAVNKYAQZFGD-HLLBOEOZSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001508225579 937998794 /nfs/dbraw/zinc/99/87/94/937998794.db2.gz TWJVPKYHYUOERW-CABCVRRESA-N 0 3 292.467 3.239 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)cc(C)cc1C ZINC001556465903 938203916 /nfs/dbraw/zinc/20/39/16/938203916.db2.gz BAAACSOMEMOZLV-UHFFFAOYSA-N 0 3 288.435 3.192 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CCC)C1 ZINC001557407878 938209768 /nfs/dbraw/zinc/20/97/68/938209768.db2.gz UHGSXIIKHXVGQZ-HZPDHXFCSA-N 0 3 278.440 3.066 20 30 CGEDHN C#CCN(C[C@@H](OC(C)C)c1ccccc1)C(C)C ZINC001560164607 938245679 /nfs/dbraw/zinc/24/56/79/938245679.db2.gz FOWRSBTXUYBQHC-QGZVFWFLSA-N 0 3 259.393 3.496 20 30 CGEDHN C#C[C@H]1CCCCN1C[C@H](O)c1cccc2ccccc21 ZINC001560209491 938247390 /nfs/dbraw/zinc/24/73/90/938247390.db2.gz OGQOHSPMLSUPCM-LPHOPBHVSA-N 0 3 279.383 3.361 20 30 CGEDHN C=C(CC(C)C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001565758921 960820816 /nfs/dbraw/zinc/82/08/16/960820816.db2.gz LFCDCIOYZJRXQK-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001565822125 960840803 /nfs/dbraw/zinc/84/08/03/960840803.db2.gz YPYWGWUNSOASTO-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001566116784 960887493 /nfs/dbraw/zinc/88/74/93/960887493.db2.gz AWWPKNCYIGDQAJ-KRWDZBQOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001566619956 960974219 /nfs/dbraw/zinc/97/42/19/960974219.db2.gz CCTBGXKNFNQRLU-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001566918381 961057813 /nfs/dbraw/zinc/05/78/13/961057813.db2.gz PYAUFSQNXUPVGZ-BOLDSZDNSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001567376613 961314580 /nfs/dbraw/zinc/31/45/80/961314580.db2.gz KXFPZBOJBMPXRG-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C#CCCN[C@@H](CNC(=O)CC1CCCC1)c1ccccc1 ZINC001567656500 961379886 /nfs/dbraw/zinc/37/98/86/961379886.db2.gz PUGWRIIUBNPRRL-SFHVURJKSA-N 0 3 298.430 3.037 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)/C=C(\C)CC)C1 ZINC001567683737 961394053 /nfs/dbraw/zinc/39/40/53/961394053.db2.gz ZNQNHLWYRUASEE-RBFDBLARSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCC ZINC001567674063 961395110 /nfs/dbraw/zinc/39/51/10/961395110.db2.gz UCDYAWMEINTSAO-IYBDPMFKSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CCCC ZINC001567853526 961440590 /nfs/dbraw/zinc/44/05/90/961440590.db2.gz ZLDXZSCZSJQTBF-IKGGRYGDSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](C)C(C)(C)C)C(C)C ZINC001568454170 961580271 /nfs/dbraw/zinc/58/02/71/961580271.db2.gz GMHZGBUJOWUMMP-QWHCGFSZSA-N 0 3 288.863 3.152 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@H](C)C1CCCCC1 ZINC001568498726 961593580 /nfs/dbraw/zinc/59/35/80/961593580.db2.gz NBFSRLAMMFUQSY-HNNXBMFYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001568489127 961593701 /nfs/dbraw/zinc/59/37/01/961593701.db2.gz ONKSFOBIOFOGOF-HZPDHXFCSA-N 0 3 292.467 3.191 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001569154535 961714738 /nfs/dbraw/zinc/71/47/38/961714738.db2.gz CBZFJRYSGXIWEK-HNNXBMFYSA-N 0 3 298.430 3.490 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001569206443 961720621 /nfs/dbraw/zinc/72/06/21/961720621.db2.gz ZSAPKBQAJREZHB-OAHLLOKOSA-N 0 3 298.858 3.314 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569913589 961874694 /nfs/dbraw/zinc/87/46/94/961874694.db2.gz TXCDJGPANHQCKE-LSDHHAIUSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C(C)(C)CCC)C(C)(C)C1 ZINC001570397437 961959773 /nfs/dbraw/zinc/95/97/73/961959773.db2.gz IHUJFPNQXCGPFS-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)CCCCC(C)C)C[C@@H]1C ZINC001570444040 961966979 /nfs/dbraw/zinc/96/69/79/961966979.db2.gz AXGVQPFGVUDRSO-IRXDYDNUSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001570537712 961988507 /nfs/dbraw/zinc/98/85/07/961988507.db2.gz FYHPTDJQUMRMOE-IAGOWNOFSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)C(C)C ZINC001571615315 962188481 /nfs/dbraw/zinc/18/84/81/962188481.db2.gz NFJBCHWGQNOBIU-DOTOQJQBSA-N 0 3 280.456 3.023 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 ZINC001574901575 962335102 /nfs/dbraw/zinc/33/51/02/962335102.db2.gz MPWJFOCUKQTGCW-PBHICJAKSA-N 0 3 299.418 3.151 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C)C(C)(C)CC2)CCCCC1 ZINC001586161790 963078036 /nfs/dbraw/zinc/07/80/36/963078036.db2.gz YMQRKZROOQMBKA-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(C)c2)CC1 ZINC001588462112 963279923 /nfs/dbraw/zinc/27/99/23/963279923.db2.gz FZAGRDJRQDWNCL-UHFFFAOYSA-N 0 3 297.406 3.011 20 30 CGEDHN C=C1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(C)c2)CC1 ZINC001588462112 963279932 /nfs/dbraw/zinc/27/99/32/963279932.db2.gz FZAGRDJRQDWNCL-UHFFFAOYSA-N 0 3 297.406 3.011 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)cc1F ZINC000337397974 214052757 /nfs/dbraw/zinc/05/27/57/214052757.db2.gz JNHGLHONSZNJJV-ZIAGYGMSSA-N 0 3 298.308 3.337 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H](C)C2CCCCC2)CC1 ZINC000590168812 346834178 /nfs/dbraw/zinc/83/41/78/346834178.db2.gz HUYFABPDGDPYCD-AEFFLSMTSA-N 0 3 291.483 3.369 20 30 CGEDHN CCN(CC)[C@H](CNc1nc(C#N)ccc1C)c1ccco1 ZINC000590575779 346852500 /nfs/dbraw/zinc/85/25/00/346852500.db2.gz TWPAKAKVBRIAFD-OAHLLOKOSA-N 0 3 298.390 3.350 20 30 CGEDHN C=CCSCCNCc1cc2cc(Cl)cnc2o1 ZINC000590645570 346857803 /nfs/dbraw/zinc/85/78/03/346857803.db2.gz KYEBLFHKIGYTQN-UHFFFAOYSA-N 0 3 282.796 3.490 20 30 CGEDHN CC(C)CC[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000486809524 534925916 /nfs/dbraw/zinc/92/59/16/534925916.db2.gz ODQOVCMNFDXGPE-KRWDZBQOSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)cc1 ZINC000590765911 346873442 /nfs/dbraw/zinc/87/34/42/346873442.db2.gz WMUPMIHMPCDXBW-SJORKVTESA-N 0 3 298.430 3.345 20 30 CGEDHN CC[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)N1CCCC1 ZINC000358567858 529495849 /nfs/dbraw/zinc/49/58/49/529495849.db2.gz KCJIIFKMNZQZJW-HIFRSBDPSA-N 0 3 289.398 3.222 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000347062678 529546420 /nfs/dbraw/zinc/54/64/20/529546420.db2.gz GLKKQVGUMLBIIH-SKDRFNHKSA-N 0 3 250.729 3.067 20 30 CGEDHN C=C(C)CN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000591386157 346919645 /nfs/dbraw/zinc/91/96/45/346919645.db2.gz LIBZDUPPMUPDEC-UHFFFAOYSA-N 0 3 258.409 3.159 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)s1 ZINC000347102788 529652751 /nfs/dbraw/zinc/65/27/51/529652751.db2.gz IJMLWXPHUMAENA-JGVFFNPUSA-N 0 3 256.758 3.128 20 30 CGEDHN CS[C@H]1CC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000591837506 346941941 /nfs/dbraw/zinc/94/19/41/346941941.db2.gz QLYRTZDKKSZJEJ-OLZOCXBDSA-N 0 3 266.797 3.195 20 30 CGEDHN CO[C@@H](CN[C@H](CCC#N)c1ccccc1)C1CC1 ZINC000591845567 346942053 /nfs/dbraw/zinc/94/20/53/346942053.db2.gz MSPKCHHWLHVUKS-CVEARBPZSA-N 0 3 258.365 3.046 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3F)C2)o1 ZINC000136122747 136392549 /nfs/dbraw/zinc/39/25/49/136392549.db2.gz VSHPBZCIWMTZMW-CYBMUJFWSA-N 0 3 299.349 3.049 20 30 CGEDHN C=CCCCNCc1cc(C)c(Br)cn1 ZINC000623510139 349823312 /nfs/dbraw/zinc/82/33/12/349823312.db2.gz IMJGCQDETPWUSP-UHFFFAOYSA-N 0 3 269.186 3.208 20 30 CGEDHN C=C(CC)CNCc1ccc(OC)c(OC2CC2)c1 ZINC000623542770 349830367 /nfs/dbraw/zinc/83/03/67/349830367.db2.gz OIGUFGGLQGNISG-UHFFFAOYSA-N 0 3 261.365 3.292 20 30 CGEDHN C[C@@H]1CCN(Cc2ccncc2C#N)[C@@H]2CCCC[C@@H]12 ZINC000592059338 346957936 /nfs/dbraw/zinc/95/79/36/346957936.db2.gz IPOJWMKDXXOOEV-XOKHGSTOSA-N 0 3 269.392 3.354 20 30 CGEDHN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000335953801 282299468 /nfs/dbraw/zinc/29/94/68/282299468.db2.gz ROBNANYDWWLZJS-XIKOKIGWSA-N 0 3 294.402 3.328 20 30 CGEDHN N#Cc1cnccc1CN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000592120669 346964320 /nfs/dbraw/zinc/96/43/20/346964320.db2.gz ZFDGBJHUXLTPKQ-VQIMIIECSA-N 0 3 291.398 3.454 20 30 CGEDHN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000335953799 282298916 /nfs/dbraw/zinc/29/89/16/282298916.db2.gz ROBNANYDWWLZJS-KZULUSFZSA-N 0 3 294.402 3.328 20 30 CGEDHN CCc1ccc(CN(CC(C)C)C(=O)C(C)C#N)cc1 ZINC000592824053 347017519 /nfs/dbraw/zinc/01/75/19/347017519.db2.gz CKAYYWCHONOJPL-AWEZNQCLSA-N 0 3 272.392 3.393 20 30 CGEDHN C[C@H](N[C@@H]1CNc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000593319785 347062480 /nfs/dbraw/zinc/06/24/80/347062480.db2.gz PKWKTJCHFRSSAW-LRDDRELGSA-N 0 3 295.361 3.385 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000047740176 345055392 /nfs/dbraw/zinc/05/53/92/345055392.db2.gz DQLCULKBMOMZSH-KRWDZBQOSA-N 0 3 272.392 3.339 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623959153 349927727 /nfs/dbraw/zinc/92/77/27/349927727.db2.gz IMCXXFZOHIGAPY-KOLCDFICSA-N 0 3 291.288 3.432 20 30 CGEDHN CCCN(CCC)CC(=O)N(CCC#N)c1ccccc1 ZINC000070926362 345397978 /nfs/dbraw/zinc/39/79/78/345397978.db2.gz JKRCWHCTVVHLRM-UHFFFAOYSA-N 0 3 287.407 3.055 20 30 CGEDHN C=CCCCN(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000076489259 345544430 /nfs/dbraw/zinc/54/44/30/345544430.db2.gz NVCKHEWQLIDDIE-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000078357665 345603298 /nfs/dbraw/zinc/60/32/98/345603298.db2.gz SBJZUYNDCBASDE-GOSISDBHSA-N 0 3 297.398 3.115 20 30 CGEDHN C[C@](CO)(NCc1ccc(F)cc1C#N)C1CCCCC1 ZINC000077655760 345581428 /nfs/dbraw/zinc/58/14/28/345581428.db2.gz HRBFZGSYAGDQEB-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN N#CCCCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084135311 345730034 /nfs/dbraw/zinc/73/00/34/345730034.db2.gz CHAGVDPGLOITRP-MRXNPFEDSA-N 0 3 284.359 3.119 20 30 CGEDHN CC(C)[C@@H](NCCOc1ccc(C#N)cc1)c1cccnc1 ZINC000091376302 345812745 /nfs/dbraw/zinc/81/27/45/345812745.db2.gz PRCUQSFEMCTKBU-GOSISDBHSA-N 0 3 295.386 3.319 20 30 CGEDHN COc1ccc(CN2CC[C@@H](C)C2)cc1OCCCC#N ZINC000092471601 345842366 /nfs/dbraw/zinc/84/23/66/345842366.db2.gz BAUQFHZJCXJYEW-CQSZACIVSA-N 0 3 288.391 3.220 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000092071397 345830519 /nfs/dbraw/zinc/83/05/19/345830519.db2.gz ZQERJABVMKXWSV-INIZCTEOSA-N 0 3 297.402 3.354 20 30 CGEDHN C=CCOc1ccc(CN(CC)C[C@H]2CCCO2)cc1 ZINC000092406776 345838162 /nfs/dbraw/zinc/83/81/62/345838162.db2.gz CFDCJGXQZMGPTE-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN CC(C)[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093444073 345878858 /nfs/dbraw/zinc/87/88/58/345878858.db2.gz QCTAIUWHCQZFNN-INIZCTEOSA-N 0 3 282.391 3.216 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000111249520 345948928 /nfs/dbraw/zinc/94/89/28/345948928.db2.gz YKCQLHUMRLKKHN-BBRMVZONSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CC1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000160341679 346170803 /nfs/dbraw/zinc/17/08/03/346170803.db2.gz FNPVJYYFAMKIBY-UHFFFAOYSA-N 0 3 255.365 3.041 20 30 CGEDHN CC1(C)CCC(O)(CNCc2ccc(C#N)s2)CC1 ZINC000161126970 346174624 /nfs/dbraw/zinc/17/46/24/346174624.db2.gz MERDMGDYGWFUCK-UHFFFAOYSA-N 0 3 278.421 3.041 20 30 CGEDHN C=CCCCN(C)CCOc1ccccc1C(C)=O ZINC000172324529 346219058 /nfs/dbraw/zinc/21/90/58/346219058.db2.gz CONRDTHRAXGXGJ-UHFFFAOYSA-N 0 3 261.365 3.166 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@H](C)COC ZINC000189787125 346263722 /nfs/dbraw/zinc/26/37/22/346263722.db2.gz DDKBXTXBGPQJJT-ZDUSSCGKSA-N 0 3 251.345 3.096 20 30 CGEDHN C=CC(C)(C)CCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000624036854 349951826 /nfs/dbraw/zinc/95/18/26/349951826.db2.gz AJWMSRVBGXSFML-AWEZNQCLSA-N 0 3 288.370 3.225 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000397653002 346583500 /nfs/dbraw/zinc/58/35/00/346583500.db2.gz UMQSTFBVWJZQEJ-CHWSQXEVSA-N 0 3 256.340 3.438 20 30 CGEDHN CC[C@H]1COC(C)(C)CN1CCCC(C)(C)C#N ZINC000403809314 346598414 /nfs/dbraw/zinc/59/84/14/346598414.db2.gz HAOPVJOTVIHWBK-ZDUSSCGKSA-N 0 3 252.402 3.206 20 30 CGEDHN C[C@@H]1CN(CCCC#N)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404440403 346599378 /nfs/dbraw/zinc/59/93/78/346599378.db2.gz UHFXKKCNWAFPOJ-ZACQAIPSSA-N 0 3 285.435 3.273 20 30 CGEDHN N#CC1(CCN2CCC[C@@]23CCOC3)CCCCC1 ZINC000411762399 346607170 /nfs/dbraw/zinc/60/71/70/346607170.db2.gz BLXLKXRVKGMFHO-INIZCTEOSA-N 0 3 262.397 3.105 20 30 CGEDHN Cc1ncsc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000351757131 219197142 /nfs/dbraw/zinc/19/71/42/219197142.db2.gz MYHKFZRYCSMGSR-JTQLQIEISA-N 0 3 289.379 3.356 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(OC3CCCC3)c2)C1 ZINC000572228191 346667673 /nfs/dbraw/zinc/66/76/73/346667673.db2.gz FZPXCVPNZPNQHV-DZGCQCFKSA-N 0 3 285.391 3.185 20 30 CGEDHN CC(C)(CC#N)CNCc1ccnn1C1CCCC1 ZINC000459734613 346624944 /nfs/dbraw/zinc/62/49/44/346624944.db2.gz SEWCHQWHTAZCEQ-UHFFFAOYSA-N 0 3 260.385 3.028 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)cn2)CCc2ccc(F)cc21 ZINC000594014459 347137598 /nfs/dbraw/zinc/13/75/98/347137598.db2.gz DUFVYLAFPBXUOM-ZDUSSCGKSA-N 0 3 295.361 3.254 20 30 CGEDHN N#Cc1cc(F)ccc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594604384 347201189 /nfs/dbraw/zinc/20/11/89/347201189.db2.gz YUPRPVOUQRQHQI-HZPDHXFCSA-N 0 3 273.355 3.126 20 30 CGEDHN CC(C)OC(=O)C[C@@H](NCc1cc(C#N)cs1)C(C)C ZINC000594624463 347204990 /nfs/dbraw/zinc/20/49/90/347204990.db2.gz PWPGSPGLFSMCOM-CQSZACIVSA-N 0 3 294.420 3.076 20 30 CGEDHN C[C@@H](CCC1CCCCC1)NC(=O)[C@H](N)CCCCC#N ZINC000594447910 347174743 /nfs/dbraw/zinc/17/47/43/347174743.db2.gz XMGAFROHABSDBS-GOEBONIOSA-N 0 3 293.455 3.263 20 30 CGEDHN CC(C)(C#N)c1ccc(CNCc2cccnc2)cc1 ZINC000594494330 347177436 /nfs/dbraw/zinc/17/74/36/347177436.db2.gz YGCVHBTYIWJVAD-UHFFFAOYSA-N 0 3 265.360 3.173 20 30 CGEDHN C[C@@H](Cc1ccccn1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000594514865 347185506 /nfs/dbraw/zinc/18/55/06/347185506.db2.gz LJPIOQFZVWBGCT-STQMWFEESA-N 0 3 283.350 3.374 20 30 CGEDHN Cn1cc(C(C)(C)NCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594924265 347230941 /nfs/dbraw/zinc/23/09/41/347230941.db2.gz XWPPSLYCGNQFQQ-UHFFFAOYSA-N 0 3 294.402 3.000 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594946162 347237961 /nfs/dbraw/zinc/23/79/61/347237961.db2.gz LCUSPBMNGMOPLL-UHFFFAOYSA-N 0 3 267.376 3.271 20 30 CGEDHN C=CCCSCCNCc1cccc(OC)c1OC ZINC000594960167 347241386 /nfs/dbraw/zinc/24/13/86/347241386.db2.gz LUHIOXFVWNVKFL-UHFFFAOYSA-N 0 3 281.421 3.103 20 30 CGEDHN C=CCCSCCNCc1c(C)nc2ccccn21 ZINC000594960132 347241631 /nfs/dbraw/zinc/24/16/31/347241631.db2.gz KKKZPJCLAKWOBT-UHFFFAOYSA-N 0 3 275.421 3.042 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000595257036 347285746 /nfs/dbraw/zinc/28/57/46/347285746.db2.gz HHKRKKDSAMREQS-KRWDZBQOSA-N 0 3 297.402 3.386 20 30 CGEDHN CCCN(CCO[C@@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595289573 347287307 /nfs/dbraw/zinc/28/73/07/347287307.db2.gz FERYOORUIJOGEM-OAHLLOKOSA-N 0 3 294.345 3.194 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](OC)C1CCC1 ZINC000595297643 347288111 /nfs/dbraw/zinc/28/81/11/347288111.db2.gz XWCUEEAJNXZRBG-SFHVURJKSA-N 0 3 284.403 3.361 20 30 CGEDHN N#Cc1ccc(CCN2CCOC3(CCCCC3)C2)cc1 ZINC000595324971 347292457 /nfs/dbraw/zinc/29/24/57/347292457.db2.gz DRBBMOIXJMCVLM-UHFFFAOYSA-N 0 3 284.403 3.136 20 30 CGEDHN C=CC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019431 347258914 /nfs/dbraw/zinc/25/89/14/347258914.db2.gz NFUGOPWUMHXUHZ-QWRGUYRKSA-N 0 3 264.325 3.219 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052606 347270221 /nfs/dbraw/zinc/27/02/21/347270221.db2.gz SGNRIZUWAYDBBL-LLVKDONJSA-N 0 3 264.325 3.220 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@H](CC#N)C1 ZINC000595611534 347326730 /nfs/dbraw/zinc/32/67/30/347326730.db2.gz KIOWPIYYRLHOAF-OAGGEKHMSA-N 0 3 264.413 3.207 20 30 CGEDHN CCc1ccccc1CCN1CCC[C@H](CC#N)C1 ZINC000595623119 347329812 /nfs/dbraw/zinc/32/98/12/347329812.db2.gz HZILSFLOQNKESQ-OAHLLOKOSA-N 0 3 256.393 3.417 20 30 CGEDHN C[C@@H](CO)[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000595679799 347336215 /nfs/dbraw/zinc/33/62/15/347336215.db2.gz YKWIRYKBGPMZOB-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@H]1CCO ZINC000595703529 347343597 /nfs/dbraw/zinc/34/35/97/347343597.db2.gz TWLUUKBZYHNNSA-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN CC[C@H](NCCc1ccc(C#N)cc1)c1nccs1 ZINC000595431252 347303196 /nfs/dbraw/zinc/30/31/96/347303196.db2.gz NSISOSAGZIERGA-AWEZNQCLSA-N 0 3 271.389 3.298 20 30 CGEDHN Cn1nccc1[C@@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC000595476829 347309535 /nfs/dbraw/zinc/30/95/35/347309535.db2.gz SUVAJMLRYZJZTJ-SFHVURJKSA-N 0 3 294.402 3.061 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H](c2ccccn2)C1 ZINC000595503350 347312165 /nfs/dbraw/zinc/31/21/65/347312165.db2.gz SNFZNPWJMPYBJQ-AWEZNQCLSA-N 0 3 257.381 3.201 20 30 CGEDHN CN(CCN1CCCCC1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595562270 347319550 /nfs/dbraw/zinc/31/95/50/347319550.db2.gz HKBOBVFSFUVMSG-INIZCTEOSA-N 0 3 291.826 3.322 20 30 CGEDHN CC(C)(C#N)CCCCN[C@@H](CO)c1ccc(F)cc1F ZINC000595867110 347368796 /nfs/dbraw/zinc/36/87/96/347368796.db2.gz LGLPJSABULZEGL-HNNXBMFYSA-N 0 3 296.361 3.308 20 30 CGEDHN CCn1nccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000596094845 347382493 /nfs/dbraw/zinc/38/24/93/347382493.db2.gz NEDRMFOXLFZIHC-SFHVURJKSA-N 0 3 294.402 3.332 20 30 CGEDHN CCOc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000597174638 347544451 /nfs/dbraw/zinc/54/44/51/347544451.db2.gz SJKSOXCGBYULMK-AWEZNQCLSA-N 0 3 258.365 3.211 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cc3ccncc3s2)C1 ZINC000597178069 347545279 /nfs/dbraw/zinc/54/52/79/347545279.db2.gz VBKKBXPRDKTESK-LBPRGKRZSA-N 0 3 271.389 3.422 20 30 CGEDHN CC[C@@H](C)N1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597143106 347539746 /nfs/dbraw/zinc/53/97/46/347539746.db2.gz DASLONPUGCPVHZ-MRXNPFEDSA-N 0 3 297.446 3.158 20 30 CGEDHN CC(C)CC1(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000598403426 347654266 /nfs/dbraw/zinc/65/42/66/347654266.db2.gz BXUAZOZOWVQHHD-MRXNPFEDSA-N 0 3 284.403 3.454 20 30 CGEDHN CC[C@H](C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000597977973 347613418 /nfs/dbraw/zinc/61/34/18/347613418.db2.gz MMTQPDQHAXPAAA-HOCLYGCPSA-N 0 3 272.392 3.311 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccncc1Cl ZINC000598973734 347702223 /nfs/dbraw/zinc/70/22/23/347702223.db2.gz JAVKDBBNMTUIPX-UHFFFAOYSA-N 0 3 251.761 3.155 20 30 CGEDHN CCC[C@H](CNCc1ccc(C#N)c(C)c1)OCC ZINC000598988841 347704005 /nfs/dbraw/zinc/70/40/05/347704005.db2.gz CJVJBAOCHUHGIA-MRXNPFEDSA-N 0 3 260.381 3.162 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@@]23C[C@@H]2COC3(C)C)cc1 ZINC000598987886 347704326 /nfs/dbraw/zinc/70/43/26/347704326.db2.gz NDYUTIPBNDDEEM-QAPCUYQASA-N 0 3 284.403 3.145 20 30 CGEDHN CCC[C@H](CN[C@H](C)c1cccc(C#N)c1)OCC ZINC000599061145 347712715 /nfs/dbraw/zinc/71/27/15/347712715.db2.gz OEYGYVZDFLLERJ-CZUORRHYSA-N 0 3 260.381 3.414 20 30 CGEDHN C[C@@H](c1ccc(F)cc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598584314 347666251 /nfs/dbraw/zinc/66/62/51/347666251.db2.gz GFHJHVUYZJPXIF-SWLSCSKDSA-N 0 3 278.371 3.119 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccsc1 ZINC000598588602 347667596 /nfs/dbraw/zinc/66/75/96/347667596.db2.gz JQNIMVJMMUIGRD-ZIAGYGMSSA-N 0 3 278.421 3.186 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1Cc2ccccc2C(C)(C)C1 ZINC000598601130 347670020 /nfs/dbraw/zinc/67/00/20/347670020.db2.gz ZNPQZRRXUXRLJG-OAHLLOKOSA-N 0 3 286.419 3.081 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2ccccc2Cl)CC1 ZINC000598626180 347672044 /nfs/dbraw/zinc/67/20/44/347672044.db2.gz TUKQYLSWLRHEFX-GFCCVEGCSA-N 0 3 292.810 3.219 20 30 CGEDHN N#CCc1cccc2c1CCN(CCCc1ccncc1)C2 ZINC000599677861 347765478 /nfs/dbraw/zinc/76/54/78/347765478.db2.gz QEMOJCFXKOHZFF-UHFFFAOYSA-N 0 3 291.398 3.139 20 30 CGEDHN COc1ccc([C@H](NCCC(C)(C)C#N)C2CC2)cn1 ZINC000599703361 347767989 /nfs/dbraw/zinc/76/79/89/347767989.db2.gz MWHSKIKEDAGHCK-OAHLLOKOSA-N 0 3 273.380 3.071 20 30 CGEDHN Cc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1C#N ZINC000599331083 347735873 /nfs/dbraw/zinc/73/58/73/347735873.db2.gz GHOPNCMFRGTQBH-YJBOKZPZSA-N 0 3 294.402 3.146 20 30 CGEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cc(F)ccc1F ZINC000599356257 347738709 /nfs/dbraw/zinc/73/87/09/347738709.db2.gz KMXSNNIJHZLMIP-WFASDCNBSA-N 0 3 294.345 3.060 20 30 CGEDHN CCO[C@H](CNC1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000599454413 347747021 /nfs/dbraw/zinc/74/70/21/347747021.db2.gz MZMQMHSBOVNKFY-QGZVFWFLSA-N 0 3 284.403 3.342 20 30 CGEDHN N#CC1CCC(CNCc2cnc3ccccc3n2)CC1 ZINC000600157880 347786306 /nfs/dbraw/zinc/78/63/06/347786306.db2.gz BERCOAXUHRNXKY-UHFFFAOYSA-N 0 3 280.375 3.049 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600185835 347790998 /nfs/dbraw/zinc/79/09/98/347790998.db2.gz NNMMPBDDYGHTQY-CYBMUJFWSA-N 0 3 260.337 3.301 20 30 CGEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 ZINC000601149406 347875097 /nfs/dbraw/zinc/87/50/97/347875097.db2.gz JYBZREHMFNWCKE-RULNRJAQSA-N 0 3 298.308 3.233 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CCC2)[C@H]2CCCO2)s1 ZINC000601155633 347876298 /nfs/dbraw/zinc/87/62/98/347876298.db2.gz CJJHDRPYCPUNLX-HUUCEWRRSA-N 0 3 276.405 3.057 20 30 CGEDHN N#CC1(c2ccc(CN[C@H]3CCCn4nccc43)cc2)CC1 ZINC000601174096 347877267 /nfs/dbraw/zinc/87/72/67/347877267.db2.gz ORKOECOLSPRNKR-INIZCTEOSA-N 0 3 292.386 3.063 20 30 CGEDHN N#CCc1ccc(CN[C@@H]2CCCc3ncccc32)cc1 ZINC000601283190 347888833 /nfs/dbraw/zinc/88/88/33/347888833.db2.gz RBNSRHMPAMIKFB-GOSISDBHSA-N 0 3 277.371 3.315 20 30 CGEDHN C[C@@H](NCc1cccc2c1CCOC2)c1ccc(C#N)cc1 ZINC000601303310 347889909 /nfs/dbraw/zinc/88/99/09/347889909.db2.gz DNGTWXMPMAPKQA-CQSZACIVSA-N 0 3 292.382 3.482 20 30 CGEDHN N#CCCN1CCN(C2CCC3(CCCC3)CC2)CC1 ZINC000601316147 347891127 /nfs/dbraw/zinc/89/11/27/347891127.db2.gz HMBTXXQDKCTPPI-UHFFFAOYSA-N 0 3 275.440 3.021 20 30 CGEDHN C[C@@H](NC[C@H]1CC(C)(C)CO1)c1ccc(C#N)cc1 ZINC000601942376 347927346 /nfs/dbraw/zinc/92/73/46/347927346.db2.gz SONKWCYWGLRDOI-IUODEOHRSA-N 0 3 258.365 3.024 20 30 CGEDHN CC(C)[C@H]1OCCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602011614 347932310 /nfs/dbraw/zinc/93/23/10/347932310.db2.gz ILOWFROEJBMJRM-RHSMWYFYSA-N 0 3 290.382 3.238 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000602016523 347933600 /nfs/dbraw/zinc/93/36/00/347933600.db2.gz FLJHOMDZBMGJBM-DLBZAZTESA-N 0 3 288.366 3.135 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(F)c1 ZINC000602502515 347971230 /nfs/dbraw/zinc/97/12/30/347971230.db2.gz LSFPIDWWJQOAMI-CYBMUJFWSA-N 0 3 276.355 3.014 20 30 CGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(F)c1 ZINC000602502516 347971547 /nfs/dbraw/zinc/97/15/47/347971547.db2.gz LSFPIDWWJQOAMI-ZDUSSCGKSA-N 0 3 276.355 3.014 20 30 CGEDHN CCCC[C@H]1CCC[C@H]1NCc1cccc(C#N)n1 ZINC000602535053 347977431 /nfs/dbraw/zinc/97/74/31/347977431.db2.gz MFHQCKWUOXOBGG-XJKSGUPXSA-N 0 3 257.381 3.402 20 30 CGEDHN CC(C)c1ccc(OCCNCc2cccc(C#N)n2)cc1 ZINC000602519636 347975242 /nfs/dbraw/zinc/97/52/42/347975242.db2.gz CFQQHGSPPTZBPG-UHFFFAOYSA-N 0 3 295.386 3.245 20 30 CGEDHN Cc1csc([C@@H](NC[C@H](C)CCC#N)C2CC2)n1 ZINC000602566798 347984201 /nfs/dbraw/zinc/98/42/01/347984201.db2.gz KONLFZBPXBEHQF-MFKMUULPSA-N 0 3 263.410 3.432 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@H]1CCO[C@@H]1C ZINC000602775811 348027637 /nfs/dbraw/zinc/02/76/37/348027637.db2.gz BEZHQCOSSUWLDN-UKRRQHHQSA-N 0 3 252.402 3.063 20 30 CGEDHN N#CCC[C@@H](NC1CC(n2cccn2)C1)c1ccccc1 ZINC000602583664 347988589 /nfs/dbraw/zinc/98/85/89/347988589.db2.gz SSPAQPHJCQKPFP-OFLPRAFFSA-N 0 3 280.375 3.221 20 30 CGEDHN CC[C@](C)(CN[C@@H](CCC#N)c1ccccc1)OC ZINC000602584017 347988762 /nfs/dbraw/zinc/98/87/62/347988762.db2.gz VWTPMPLPCIPDEB-JKSUJKDBSA-N 0 3 260.381 3.436 20 30 CGEDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)NCC(C)(C)C#N)cc1 ZINC000602617734 347994414 /nfs/dbraw/zinc/99/44/14/347994414.db2.gz ZRSRLUVFTJNPPW-APHBMKBZSA-N 0 3 272.392 3.327 20 30 CGEDHN C[C@H](CC1CCCCC1)NCc1cccc(C#N)n1 ZINC000602638713 347998549 /nfs/dbraw/zinc/99/85/49/347998549.db2.gz GHLGDPQTHJJDPK-CYBMUJFWSA-N 0 3 257.381 3.402 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(c2ccccc2F)C[C@H]1C ZINC000602647539 348000765 /nfs/dbraw/zinc/00/07/65/348000765.db2.gz TYBAHHVSOOZGBA-LSDHHAIUSA-N 0 3 289.398 3.276 20 30 CGEDHN Cn1c(CNCC(C)(C)CC#N)cc2ccccc21 ZINC000602689254 348009791 /nfs/dbraw/zinc/00/97/91/348009791.db2.gz AZOABMXKPGFDFD-UHFFFAOYSA-N 0 3 255.365 3.208 20 30 CGEDHN Cc1ccc(NC(=O)CNC[C@@H](C)CCC#N)c(Cl)c1 ZINC000602695417 348011299 /nfs/dbraw/zinc/01/12/99/348011299.db2.gz TVAPTDSRQHQJMX-LBPRGKRZSA-N 0 3 293.798 3.116 20 30 CGEDHN CC(C)(CN1CCC[C@H](CC#N)C1)Oc1ccccc1 ZINC000602707360 348014524 /nfs/dbraw/zinc/01/45/24/348014524.db2.gz UHNFYJGVODQHRV-OAHLLOKOSA-N 0 3 272.392 3.470 20 30 CGEDHN N#Cc1cccc(CNC2CCC3(CC3(F)F)CC2)n1 ZINC000602718181 348016585 /nfs/dbraw/zinc/01/65/85/348016585.db2.gz HIWQIACLXPKEQK-UHFFFAOYSA-N 0 3 277.318 3.011 20 30 CGEDHN COCC1(C2CC2)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000602731494 348019869 /nfs/dbraw/zinc/01/98/69/348019869.db2.gz KRMGWFJZNKAMHV-UHFFFAOYSA-N 0 3 296.414 3.100 20 30 CGEDHN CC[C@@H](C)[C@H](CN1CCc2c(CC#N)cccc2C1)OC ZINC000602731908 348020274 /nfs/dbraw/zinc/02/02/74/348020274.db2.gz YUUVTBLXNORAJT-KDOFPFPSSA-N 0 3 286.419 3.172 20 30 CGEDHN COc1ccc2c(c1)CCCN(CC1(CC#N)CC1)C2 ZINC000602772222 348025946 /nfs/dbraw/zinc/02/59/46/348025946.db2.gz LGXSQIMBWXXGSX-UHFFFAOYSA-N 0 3 270.376 3.137 20 30 CGEDHN Cc1cc(C)cc(C[C@H](C)NCc2cccc(C#N)n2)c1 ZINC000602558014 347981640 /nfs/dbraw/zinc/98/16/40/347981640.db2.gz NMQCDMQZAPVMKO-HNNXBMFYSA-N 0 3 279.387 3.291 20 30 CGEDHN COc1ccccc1[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602780799 348027450 /nfs/dbraw/zinc/02/74/50/348027450.db2.gz SBQDSBUCSMULPO-AWEZNQCLSA-N 0 3 270.376 3.178 20 30 CGEDHN N#CCC1(CNC2(c3cccc(F)c3)CCC2)CC1 ZINC000602849864 348036356 /nfs/dbraw/zinc/03/63/56/348036356.db2.gz BKJFXWUHRDBTGF-UHFFFAOYSA-N 0 3 258.340 3.488 20 30 CGEDHN N#CCC1(CN2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC000602919314 348044441 /nfs/dbraw/zinc/04/44/41/348044441.db2.gz YAWOFBUACDVOPW-UHFFFAOYSA-N 0 3 288.366 3.363 20 30 CGEDHN CN(CCCCOC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602979180 348050350 /nfs/dbraw/zinc/05/03/50/348050350.db2.gz ATEJOMYJCOYYHC-KGLIPLIRSA-N 0 3 252.402 3.206 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(CCC2CCCCC2)CC1 ZINC000610391141 348380572 /nfs/dbraw/zinc/38/05/72/348380572.db2.gz VSFMJGSEYLZCKS-KRWDZBQOSA-N 0 3 277.456 3.123 20 30 CGEDHN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C(C)C#N ZINC000609920685 348357624 /nfs/dbraw/zinc/35/76/24/348357624.db2.gz ZSZNXJXAEFMISV-AWEZNQCLSA-N 0 3 286.419 3.419 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000609920361 348357767 /nfs/dbraw/zinc/35/77/67/348357767.db2.gz HWWZFTRCUIUTLH-QMMMGPOBSA-N 0 3 271.147 3.111 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000609920289 348357896 /nfs/dbraw/zinc/35/78/96/348357896.db2.gz ZEDKMEWHRVXNQT-CQSZACIVSA-N 0 3 270.376 3.164 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000609921179 348358643 /nfs/dbraw/zinc/35/86/43/348358643.db2.gz USPFBVWCFQXUMK-GFCCVEGCSA-N 0 3 290.794 3.428 20 30 CGEDHN CCN(Cc1cn2ccccc2c1C#N)C1CCC1 ZINC000610001975 348359960 /nfs/dbraw/zinc/35/99/60/348359960.db2.gz QFNNBRPUJWDGQX-UHFFFAOYSA-N 0 3 253.349 3.185 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)C1CCCC1 ZINC000611257682 348431909 /nfs/dbraw/zinc/43/19/09/348431909.db2.gz IUYCWKVGJGVFKY-UHFFFAOYSA-N 0 3 264.394 3.011 20 30 CGEDHN N#Cc1csc(CN2CC[C@H](c3ccco3)C2)c1 ZINC000611271251 348434232 /nfs/dbraw/zinc/43/42/32/348434232.db2.gz AYMCMFAOTIQGNY-LBPRGKRZSA-N 0 3 258.346 3.202 20 30 CGEDHN C=C(CC)CN(CCC(=O)OC)Cc1ccccc1 ZINC000611346967 348440290 /nfs/dbraw/zinc/44/02/90/348440290.db2.gz URPKWQLRXQFKFH-UHFFFAOYSA-N 0 3 261.365 3.018 20 30 CGEDHN C[C@H](c1cccc2ccccc21)N1CCN(CCC#N)CC1 ZINC000611175347 348426489 /nfs/dbraw/zinc/42/64/89/348426489.db2.gz FDKWTNZESZVYPA-MRXNPFEDSA-N 0 3 293.414 3.432 20 30 CGEDHN COc1ccc([C@@H](NCc2ccnc(C#N)c2)C(C)C)cc1 ZINC000611376988 348442339 /nfs/dbraw/zinc/44/23/39/348442339.db2.gz FGCOUQHLFHAHBH-SFHVURJKSA-N 0 3 295.386 3.449 20 30 CGEDHN CCOc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611377270 348442892 /nfs/dbraw/zinc/44/28/92/348442892.db2.gz CZDMVLTZARRGJS-ZDUSSCGKSA-N 0 3 281.359 3.203 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](CO)c1ccccc1 ZINC000611392794 348445179 /nfs/dbraw/zinc/44/51/79/348445179.db2.gz MKSNHNBJULCRHZ-RBUKOAKNSA-N 0 3 292.382 3.259 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCOC1CCCC1 ZINC000611392003 348445404 /nfs/dbraw/zinc/44/54/04/348445404.db2.gz DSQYBBJCWUQSJN-SFHVURJKSA-N 0 3 284.403 3.484 20 30 CGEDHN CCCC[C@H](CC)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000612823073 348548474 /nfs/dbraw/zinc/54/84/74/348548474.db2.gz JALMFJNMMUMNJG-DLBZAZTESA-N 0 3 279.472 3.369 20 30 CGEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176752 348655360 /nfs/dbraw/zinc/65/53/60/348655360.db2.gz CBPAWUGCLRFQQO-LSDHHAIUSA-N 0 3 285.435 3.012 20 30 CGEDHN CO[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1C ZINC000615236134 348725968 /nfs/dbraw/zinc/72/59/68/348725968.db2.gz ZYKKNKDTFDUVMX-PBHICJAKSA-N 0 3 286.419 3.345 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)CCOC(C)(C)C ZINC000614402397 348674045 /nfs/dbraw/zinc/67/40/45/348674045.db2.gz DIRGYBLHMYUXRG-UHFFFAOYSA-N 0 3 260.381 3.114 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](CCO)c1ccccc1 ZINC000614402350 348674302 /nfs/dbraw/zinc/67/43/02/348674302.db2.gz USHYNSWWMMZEDI-IBGZPJMESA-N 0 3 294.398 3.422 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000614407397 348675026 /nfs/dbraw/zinc/67/50/26/348675026.db2.gz PDIVZEZGDMHYEE-KRWDZBQOSA-N 0 3 296.418 3.477 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(F)F)C1 ZINC000615444967 348740230 /nfs/dbraw/zinc/74/02/30/348740230.db2.gz RAIUEDILZFYPJA-MFKMUULPSA-N 0 3 250.292 3.206 20 30 CGEDHN CC[C@]1(NCc2cccc(OCCCC#N)c2)CCOC1 ZINC000616487698 348824954 /nfs/dbraw/zinc/82/49/54/348824954.db2.gz GEYYHFOOEWAHFZ-KRWDZBQOSA-N 0 3 288.391 3.028 20 30 CGEDHN Cc1ccc2cc([C@H](C)NC3CCN(CC#N)CC3)oc2c1 ZINC000617303576 348943384 /nfs/dbraw/zinc/94/33/84/348943384.db2.gz BSDLZSOZARRRBH-AWEZNQCLSA-N 0 3 297.402 3.380 20 30 CGEDHN Cc1cnc([C@@H](NC[C@@H](C)CCC#N)C2CC2)s1 ZINC000618887952 349175332 /nfs/dbraw/zinc/17/53/32/349175332.db2.gz JWZMDYOKCJGAKB-GWCFXTLKSA-N 0 3 263.410 3.432 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000620861500 349430995 /nfs/dbraw/zinc/43/09/95/349430995.db2.gz SIDIBKBYHKPOPL-HZSPNIEDSA-N 0 3 266.429 3.109 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000625702186 350199566 /nfs/dbraw/zinc/19/95/66/350199566.db2.gz DYXPPBJHNYXYSW-MRXNPFEDSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc3ccccc3n2)C1 ZINC000625703789 350200030 /nfs/dbraw/zinc/20/00/30/350200030.db2.gz SSBLFLHEYUYHKE-CYBMUJFWSA-N 0 3 253.349 3.028 20 30 CGEDHN C=CCN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983676 350240459 /nfs/dbraw/zinc/24/04/59/350240459.db2.gz XKZNVMLJKQRYIT-CYBMUJFWSA-N 0 3 273.207 3.372 20 30 CGEDHN C=CCN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100204 350259646 /nfs/dbraw/zinc/25/96/46/350259646.db2.gz HEXIHZNFFPWYHA-LBPRGKRZSA-N 0 3 260.164 3.193 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc3c(C)cccn23)C1 ZINC000628405183 350528848 /nfs/dbraw/zinc/52/88/48/350528848.db2.gz FZZZTKNPFCNJTE-AWEZNQCLSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000628406494 350529861 /nfs/dbraw/zinc/52/98/61/350529861.db2.gz KVYNNOVRVORPRV-AWEZNQCLSA-N 0 3 285.366 3.409 20 30 CGEDHN C=CCN(C(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000271397348 191115527 /nfs/dbraw/zinc/11/55/27/191115527.db2.gz MDJSTZWRZPUVLI-UHFFFAOYSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CC(C)(C)CCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000629250725 350672492 /nfs/dbraw/zinc/67/24/92/350672492.db2.gz GKLJERQYNYUQAZ-MRXNPFEDSA-N 0 3 286.419 3.198 20 30 CGEDHN C=C1CC(C)(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000630412215 350837079 /nfs/dbraw/zinc/83/70/79/350837079.db2.gz PCXVYNTXJZGZOA-UHFFFAOYSA-N 0 3 298.430 3.124 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cccc(OC)c1OC ZINC000631632241 351097725 /nfs/dbraw/zinc/09/77/25/351097725.db2.gz OHNXQTLJZCVBNP-KFWWJZLASA-N 0 3 291.391 3.088 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)Nc1cccc(CN)c1 ZINC000632948682 351231519 /nfs/dbraw/zinc/23/15/19/351231519.db2.gz KRPYAGDQKIXTSL-UHFFFAOYSA-N 0 3 275.396 3.259 20 30 CGEDHN C=C(C)COCCN[C@H]1CCSc2ccccc21 ZINC000090450729 260358941 /nfs/dbraw/zinc/35/89/41/260358941.db2.gz RFPNKMCAFGJMOO-AWEZNQCLSA-N 0 3 263.406 3.406 20 30 CGEDHN Cc1nc(CCNCc2cc(C#N)cs2)sc1C ZINC000122714010 187047067 /nfs/dbraw/zinc/04/70/67/187047067.db2.gz DCLXBPIQENBZJW-UHFFFAOYSA-N 0 3 277.418 3.025 20 30 CGEDHN N#CCCCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157664182 188330793 /nfs/dbraw/zinc/33/07/93/188330793.db2.gz FRKOICVQUHHBEE-HNNXBMFYSA-N 0 3 288.366 3.414 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158552972 188382024 /nfs/dbraw/zinc/38/20/24/188382024.db2.gz VNYCCCNQOMXEIU-GJZGRUSLSA-N 0 3 295.448 3.102 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)CCn1cccn1 ZINC000158837578 188396595 /nfs/dbraw/zinc/39/65/95/188396595.db2.gz JQXMAUXVCVVYOW-HNNXBMFYSA-N 0 3 285.391 3.016 20 30 CGEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000271780123 191322062 /nfs/dbraw/zinc/32/20/62/191322062.db2.gz LNGMOBNRPCGEOH-QGZVFWFLSA-N 0 3 296.345 3.010 20 30 CGEDHN Cc1cccc([C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000271825656 191350599 /nfs/dbraw/zinc/35/05/99/191350599.db2.gz DBJBZTPCGIGWAY-KSSFIOAISA-N 0 3 280.371 3.251 20 30 CGEDHN Cc1cccc([C@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271915406 191406849 /nfs/dbraw/zinc/40/68/49/191406849.db2.gz BZLNOKAREQIOBZ-SCLBCKFNSA-N 0 3 298.361 3.390 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@H]2CCCC23CCOCC3)c1 ZINC000282123871 283151541 /nfs/dbraw/zinc/15/15/41/283151541.db2.gz QWNPIZKEUGXGNP-INIZCTEOSA-N 0 3 288.366 3.136 20 30 CGEDHN N#Cc1cccc(CN2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186438110 283205519 /nfs/dbraw/zinc/20/55/19/283205519.db2.gz PXUWWVVSSCQWIV-LJQANCHMSA-N 0 3 290.366 3.190 20 30 CGEDHN COC1(CNCc2ccc(C#N)c(F)c2)CCC(C)CC1 ZINC000421382056 235812096 /nfs/dbraw/zinc/81/20/96/235812096.db2.gz IJVBBHZFFBMBBG-UHFFFAOYSA-N 0 3 290.382 3.382 20 30 CGEDHN CC(C)C1(C)CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191534346 138472723 /nfs/dbraw/zinc/47/27/23/138472723.db2.gz QYCIWGHFGYENPJ-UHFFFAOYSA-N 0 3 259.397 3.155 20 30 CGEDHN CO[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000425413553 236245424 /nfs/dbraw/zinc/24/54/24/236245424.db2.gz BREARUCMSOBYQS-SFHVURJKSA-N 0 3 282.387 3.072 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179591780 189205738 /nfs/dbraw/zinc/20/57/38/189205738.db2.gz MOCBVZYQZWTVAL-DGCLKSJQSA-N 0 3 285.334 3.266 20 30 CGEDHN C=C(C)CNCc1ccccc1OCc1cccnc1 ZINC000119642708 370695244 /nfs/dbraw/zinc/69/52/44/370695244.db2.gz YXRBKBVLIJGOJL-UHFFFAOYSA-N 0 3 268.360 3.326 20 30 CGEDHN CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000183064248 189344825 /nfs/dbraw/zinc/34/48/25/189344825.db2.gz IVOKBIXIMZVLFN-WCQGTBRESA-N 0 3 291.395 3.119 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCC[C@H](C)N1CCCCC1 ZINC000302149282 201367271 /nfs/dbraw/zinc/36/72/71/201367271.db2.gz SPVYFTZWXIWASW-AWEZNQCLSA-N 0 3 299.418 3.437 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC1CCN(C(C)C)CC1 ZINC000302130722 201356179 /nfs/dbraw/zinc/35/61/79/201356179.db2.gz YBMSGPRNBFQFSG-UHFFFAOYSA-N 0 3 285.391 3.046 20 30 CGEDHN CC1(C)C[C@@H](NCc2ccc(F)c(C#N)c2)C(C)(C)O1 ZINC000119898882 370720467 /nfs/dbraw/zinc/72/04/67/370720467.db2.gz VCFWJTYSNGTYPL-CQSZACIVSA-N 0 3 276.355 3.133 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000120215419 370748442 /nfs/dbraw/zinc/74/84/42/370748442.db2.gz XDPQLCWGBCDOEG-KBPBESRZSA-N 0 3 292.448 3.136 20 30 CGEDHN COc1cc(C#N)ccc1CN([C@H](C)C1CC1)C1CC1 ZINC000120635282 370787720 /nfs/dbraw/zinc/78/77/20/370787720.db2.gz GIDXNTNCSURHDO-GFCCVEGCSA-N 0 3 270.376 3.330 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000481046285 243175747 /nfs/dbraw/zinc/17/57/47/243175747.db2.gz ZMZJNRRRKCHAQD-QWRGUYRKSA-N 0 3 293.208 3.409 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccccc2C)n1 ZINC000041520104 369189086 /nfs/dbraw/zinc/18/90/86/369189086.db2.gz OVHWQMJOCLPVFF-GFCCVEGCSA-N 0 3 256.330 3.250 20 30 CGEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000055386540 369516360 /nfs/dbraw/zinc/51/63/60/369516360.db2.gz UIGIHLFPKPHJDB-CZUORRHYSA-N 0 3 285.391 3.007 20 30 CGEDHN CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000057661503 369545643 /nfs/dbraw/zinc/54/56/43/369545643.db2.gz ZNIPSDYGHWRALB-UHFFFAOYSA-N 0 3 250.345 3.385 20 30 CGEDHN N#Cc1ccc(CNCc2cccc(OC(F)F)c2)cc1 ZINC000057964268 369550078 /nfs/dbraw/zinc/55/00/78/369550078.db2.gz ROONZEFWDPPKNH-UHFFFAOYSA-N 0 3 288.297 3.449 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000062016417 369613600 /nfs/dbraw/zinc/61/36/00/369613600.db2.gz JRCSIEQVBLLAOP-UWVGGRQHSA-N 0 3 250.729 3.019 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000062016381 369613770 /nfs/dbraw/zinc/61/37/70/369613770.db2.gz JZSYZMVNCNAKPT-NXEZZACHSA-N 0 3 250.729 3.019 20 30 CGEDHN C=CCNC(=O)CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000064637477 369657973 /nfs/dbraw/zinc/65/79/73/369657973.db2.gz QEVZCLBALQZOGY-GOSISDBHSA-N 0 3 294.398 3.279 20 30 CGEDHN C=C(C)CN1CCC(OCc2ccccc2OC)CC1 ZINC000092422504 370096675 /nfs/dbraw/zinc/09/66/75/370096675.db2.gz YSUQMPBIECWVAD-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN COc1ccccc1C1(CNCc2cc(C#N)cs2)CC1 ZINC000343989335 217006372 /nfs/dbraw/zinc/00/63/72/217006372.db2.gz RLYUKHPXZXMSDN-UHFFFAOYSA-N 0 3 298.411 3.450 20 30 CGEDHN C=CCOc1ccccc1CN(C)CCC1CCOCC1 ZINC000129652423 370996502 /nfs/dbraw/zinc/99/65/02/370996502.db2.gz KQLXRSRIZPWSKO-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN CC(C)C[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000130334763 371025888 /nfs/dbraw/zinc/02/58/88/371025888.db2.gz VZBNBDUCLXAPHC-MRXNPFEDSA-N 0 3 285.391 3.007 20 30 CGEDHN CC(C)(CCC#N)CNCc1cccnc1OCC(F)F ZINC000132585167 371186096 /nfs/dbraw/zinc/18/60/96/371186096.db2.gz IHRASIFBPOOQAJ-UHFFFAOYSA-N 0 3 297.349 3.145 20 30 CGEDHN CC[C@H](CC#N)N[C@H](CCOC)Cc1cccc(F)c1 ZINC000133202147 371235951 /nfs/dbraw/zinc/23/59/51/371235951.db2.gz ISMZUKCRONJOFR-HZPDHXFCSA-N 0 3 278.371 3.055 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000136958633 371489141 /nfs/dbraw/zinc/48/91/41/371489141.db2.gz JARFWTGEXHSGMG-GXTWGEPZSA-N 0 3 275.352 3.198 20 30 CGEDHN Cc1nc2ccccc2n1CCNCc1ccc(C#N)s1 ZINC000135672390 371442462 /nfs/dbraw/zinc/44/24/62/371442462.db2.gz WYIJDKCMRQXXSZ-UHFFFAOYSA-N 0 3 296.399 3.068 20 30 CGEDHN CN(CCCNCc1ccc(C#N)s1)c1ccccc1 ZINC000135668782 371443176 /nfs/dbraw/zinc/44/31/76/371443176.db2.gz ABVSQDQQHLPZJS-UHFFFAOYSA-N 0 3 285.416 3.236 20 30 CGEDHN COC1([C@@H](C)NCc2ccc(C#N)s2)CCCCC1 ZINC000421881264 371696846 /nfs/dbraw/zinc/69/68/46/371696846.db2.gz OYGVUFAYLBDSDO-GFCCVEGCSA-N 0 3 278.421 3.447 20 30 CGEDHN C=C(C)CCNc1ccccc1CN1CCC(CO)CC1 ZINC000288729459 371743790 /nfs/dbraw/zinc/74/37/90/371743790.db2.gz NHODXMTXJHGTFT-UHFFFAOYSA-N 0 3 288.435 3.269 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H]1CC=CCC1 ZINC000344067579 217034596 /nfs/dbraw/zinc/03/45/96/217034596.db2.gz PVSLAQJUVYBMDH-GJZGRUSLSA-N 0 3 297.402 3.173 20 30 CGEDHN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CC=CCC1 ZINC000344074752 217040622 /nfs/dbraw/zinc/04/06/22/217040622.db2.gz UQCAILSEVBZQNW-CYBMUJFWSA-N 0 3 258.340 3.485 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1C1CCC1 ZINC000158206631 372059955 /nfs/dbraw/zinc/05/99/55/372059955.db2.gz FJEKSMAURGRPND-MRXNPFEDSA-N 0 3 270.376 3.331 20 30 CGEDHN CC[C@@]1(C)CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000344218248 217103635 /nfs/dbraw/zinc/10/36/35/217103635.db2.gz LPCIJYQGUDMXKQ-KRWDZBQOSA-N 0 3 288.391 3.068 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000344188945 217091422 /nfs/dbraw/zinc/09/14/22/217091422.db2.gz LYYVIPJNTTXPOW-ZBFHGGJFSA-N 0 3 295.386 3.076 20 30 CGEDHN C[C@@H](O)CN(Cc1cc(F)ccc1C#N)C1CCCCC1 ZINC000159591102 372158891 /nfs/dbraw/zinc/15/88/91/372158891.db2.gz HAOIHJQRCFGMHU-CYBMUJFWSA-N 0 3 290.382 3.213 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000426559043 372165262 /nfs/dbraw/zinc/16/52/62/372165262.db2.gz ILHYWYWRVHNLTJ-AWEZNQCLSA-N 0 3 260.337 3.444 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N1CCNCc1ccc(C#N)cc1F ZINC000344228128 217108761 /nfs/dbraw/zinc/10/87/61/217108761.db2.gz WISJAJDJVAJFTI-ZIAGYGMSSA-N 0 3 289.398 3.050 20 30 CGEDHN N#Cc1ccc(F)cc1CN1CCC[C@@H]1C1CCC1 ZINC000159698679 372170405 /nfs/dbraw/zinc/17/04/05/372170405.db2.gz AHOGPOFKYMXOJD-MRXNPFEDSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCC[C@@H](CC)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427977053 372177651 /nfs/dbraw/zinc/17/76/51/372177651.db2.gz YCKCSPRZLMTXST-CQSZACIVSA-N 0 3 272.392 3.492 20 30 CGEDHN C=CC[C@@H]1N(Cc2cc(C)ncn2)CCCC1(C)C ZINC000292775197 372208068 /nfs/dbraw/zinc/20/80/68/372208068.db2.gz JBLIJWWVJAPSGG-HNNXBMFYSA-N 0 3 259.397 3.352 20 30 CGEDHN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1ccc(C#N)cc1 ZINC000160222452 372225841 /nfs/dbraw/zinc/22/58/41/372225841.db2.gz HSTSEBWUEGNOPH-WFASDCNBSA-N 0 3 258.365 3.166 20 30 CGEDHN COc1ccc(OC)c(CN(CCCCC#N)C2CC2)c1 ZINC000160959792 372291233 /nfs/dbraw/zinc/29/12/33/372291233.db2.gz MCXGZRZCOIHQAI-UHFFFAOYSA-N 0 3 288.391 3.362 20 30 CGEDHN C=CCOc1ccc(CN(CCC)CCO)cc1Cl ZINC000161196211 372309192 /nfs/dbraw/zinc/30/91/92/372309192.db2.gz XSGWDESGTJKDGS-UHFFFAOYSA-N 0 3 283.799 3.109 20 30 CGEDHN Cc1cc(CN2CCOC[C@H](C3CCC3)C2)ccc1C#N ZINC000429255125 372329888 /nfs/dbraw/zinc/32/98/88/372329888.db2.gz MAXMFIRNHAVGJP-GOSISDBHSA-N 0 3 284.403 3.115 20 30 CGEDHN C[C@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000429580207 372375588 /nfs/dbraw/zinc/37/55/88/372375588.db2.gz TVTMAGWZNNIHPQ-RDJZCZTQSA-N 0 3 299.418 3.054 20 30 CGEDHN N#CCC1(CNCc2ccc(Oc3cnccn3)cc2)CC1 ZINC000430065376 372382965 /nfs/dbraw/zinc/38/29/65/372382965.db2.gz LGSUFLJVSAQPEN-UHFFFAOYSA-N 0 3 294.358 3.052 20 30 CGEDHN C=CCC(C)(C)CNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000432106074 372537409 /nfs/dbraw/zinc/53/74/09/372537409.db2.gz GWXGWPGONPJUMO-HUUCEWRRSA-N 0 3 295.471 3.008 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000433124789 372582528 /nfs/dbraw/zinc/58/25/28/372582528.db2.gz FYGCUSLUGSDUCB-GOEBONIOSA-N 0 3 293.370 3.031 20 30 CGEDHN C=C(C)CN(CC)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000433227180 372583085 /nfs/dbraw/zinc/58/30/85/372583085.db2.gz QRJXTPITCFFSFJ-INIZCTEOSA-N 0 3 274.408 3.104 20 30 CGEDHN CN(C)[C@@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000433355903 372598011 /nfs/dbraw/zinc/59/80/11/372598011.db2.gz QQQGRFGGQYCHGN-INIZCTEOSA-N 0 3 299.418 3.022 20 30 CGEDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1cc(C#N)n(C)c1 ZINC000295201732 372700134 /nfs/dbraw/zinc/70/01/34/372700134.db2.gz YUMZXHISAHHRGI-DMDPSCGWSA-N 0 3 299.340 3.448 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](SC)C2)c1 ZINC000294941979 372680558 /nfs/dbraw/zinc/68/05/58/372680558.db2.gz CHJQESQRFSXIPB-OAHLLOKOSA-N 0 3 263.406 3.189 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc2ccccc21 ZINC000435603885 372784414 /nfs/dbraw/zinc/78/44/14/372784414.db2.gz MARPBKKGZLGPLY-DYVFJYSZSA-N 0 3 268.360 3.050 20 30 CGEDHN N#CCC[C@@H](NCC[C@@H]1CCOC1)c1ccccc1 ZINC000437760639 372857273 /nfs/dbraw/zinc/85/72/73/372857273.db2.gz QQYHORDJVLMJQN-GDBMZVCRSA-N 0 3 258.365 3.048 20 30 CGEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)C[C@@H]2C)C1=O ZINC000439318383 372976047 /nfs/dbraw/zinc/97/60/47/372976047.db2.gz QNNBMHAGLPLZDT-SZMVWBNQSA-N 0 3 298.430 3.041 20 30 CGEDHN Cc1cccnc1CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000296241586 373064081 /nfs/dbraw/zinc/06/40/81/373064081.db2.gz CNCWNYQYYNZQND-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN CCC(CC)[C@H](CCNCc1ccc(C#N)o1)OC ZINC000344823391 217322983 /nfs/dbraw/zinc/32/29/83/217322983.db2.gz HDCHNVIPVUJXQF-HNNXBMFYSA-N 0 3 264.369 3.082 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000296397673 373117578 /nfs/dbraw/zinc/11/75/78/373117578.db2.gz KIDDBNNBWCBTLE-MKBNYLNASA-N 0 3 278.371 3.409 20 30 CGEDHN CCc1cccc2c1OCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000442871953 373112015 /nfs/dbraw/zinc/11/20/15/373112015.db2.gz XZAHMDJMSFLECE-BJJXKVORSA-N 0 3 270.376 3.354 20 30 CGEDHN CCC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000444778801 373272737 /nfs/dbraw/zinc/27/27/37/373272737.db2.gz WMELFVHEYYCFBD-MRXNPFEDSA-N 0 3 292.810 3.339 20 30 CGEDHN Cc1ccc(F)c(CN(C)CCCSCC#N)c1 ZINC000444739463 373256028 /nfs/dbraw/zinc/25/60/28/373256028.db2.gz ALXSIPVEISZGNU-UHFFFAOYSA-N 0 3 266.385 3.213 20 30 CGEDHN COc1ccc([C@H](C)CCNCc2ccc(C#N)o2)cc1 ZINC000174507556 373328954 /nfs/dbraw/zinc/32/89/54/373328954.db2.gz WDAMMYHSOISUTR-CYBMUJFWSA-N 0 3 284.359 3.443 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2C[C@H]2c2ccccc2)o1 ZINC000174378365 373304534 /nfs/dbraw/zinc/30/45/34/373304534.db2.gz ZFMLHOFHNPZFHT-CJNGLKHVSA-N 0 3 252.317 3.045 20 30 CGEDHN N#Cc1ccc(CN[C@@H](Cc2ccccc2)C2CC2)o1 ZINC000174415301 373311460 /nfs/dbraw/zinc/31/14/60/373311460.db2.gz BDSUDPSLRNDQJH-KRWDZBQOSA-N 0 3 266.344 3.262 20 30 CGEDHN C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000353598881 220181632 /nfs/dbraw/zinc/18/16/32/220181632.db2.gz VAPLCMSTBWVTCC-NOZJJQNGSA-N 0 3 268.282 3.334 20 30 CGEDHN C=CC[C@H]1N(Cc2c[nH]c(C(=O)OC)c2)CCCC1(C)C ZINC000446830629 373366998 /nfs/dbraw/zinc/36/69/98/373366998.db2.gz VAJWBEYZQNHFIM-OAHLLOKOSA-N 0 3 290.407 3.368 20 30 CGEDHN N#Cc1csc(CNC[C@@H](c2ccccc2)C2CC2)n1 ZINC000353615707 220193749 /nfs/dbraw/zinc/19/37/49/220193749.db2.gz ADBXZGPZMKTYTF-HNNXBMFYSA-N 0 3 283.400 3.298 20 30 CGEDHN C=CCCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175404265 373463667 /nfs/dbraw/zinc/46/36/67/373463667.db2.gz RRJFWVFZCDBFMF-UGSOOPFHSA-N 0 3 265.422 3.383 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)o2)C12CCCCC2 ZINC000175847802 373527681 /nfs/dbraw/zinc/52/76/81/373527681.db2.gz URQCLPMYAJSEDX-HOTGVXAUSA-N 0 3 288.391 3.369 20 30 CGEDHN C=CC(C)(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000448902048 373648490 /nfs/dbraw/zinc/64/84/90/373648490.db2.gz YOHZIJFBOSCFJP-AWEZNQCLSA-N 0 3 288.435 3.444 20 30 CGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1)c1ccccc1 ZINC000301087349 373654559 /nfs/dbraw/zinc/65/45/59/373654559.db2.gz LVUVKSKAZKVXLA-QGZVFWFLSA-N 0 3 265.360 3.273 20 30 CGEDHN C=C(C)CN(C)Cc1ccc2c(c1)OCCCCO2 ZINC000449226809 373673398 /nfs/dbraw/zinc/67/33/98/373673398.db2.gz NYIHHBHCHQXWTB-UHFFFAOYSA-N 0 3 261.365 3.246 20 30 CGEDHN C=CCCCC[C@H](C)NCc1ncnn1-c1ccccc1 ZINC000449288936 373677552 /nfs/dbraw/zinc/67/75/52/373677552.db2.gz PKBSNCAXRLTZGT-HNNXBMFYSA-N 0 3 284.407 3.492 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000449473330 373759740 /nfs/dbraw/zinc/75/97/40/373759740.db2.gz BLSMRIIBEYEGOT-AWEZNQCLSA-N 0 3 288.366 3.136 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@@H]1CCC[C@H](C)C1 ZINC000449770233 373899520 /nfs/dbraw/zinc/89/95/20/373899520.db2.gz WGFQIMSNUNLTRQ-SDDRHHMPSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC000449843169 373941672 /nfs/dbraw/zinc/94/16/72/373941672.db2.gz HEQGJDJRJWVWCW-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN Cc1ccnc(N[C@H](C)CN(C)Cc2ccccc2)c1C#N ZINC000309862582 374201900 /nfs/dbraw/zinc/20/19/00/374201900.db2.gz DQYPLEMUCOFETH-OAHLLOKOSA-N 0 3 294.402 3.194 20 30 CGEDHN N#CC1CCC(CNC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000328754504 374380133 /nfs/dbraw/zinc/38/01/33/374380133.db2.gz OECADCUTUHHPMZ-UHFFFAOYSA-N 0 3 289.423 3.147 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2cc(F)ccc21 ZINC000183397357 374409903 /nfs/dbraw/zinc/40/99/03/374409903.db2.gz IJRHDSBEKDQUQV-INIZCTEOSA-N 0 3 263.356 3.385 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(OCC)CC1 ZINC000091677714 541968187 /nfs/dbraw/zinc/96/81/87/541968187.db2.gz XFBQQKGPIIICLV-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185384784 374654477 /nfs/dbraw/zinc/65/44/77/374654477.db2.gz AJRJWERNHKBQRY-OAHLLOKOSA-N 0 3 288.435 3.392 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000185546832 374684939 /nfs/dbraw/zinc/68/49/39/374684939.db2.gz HJWLDRWBNAMXEO-OAHLLOKOSA-N 0 3 274.408 3.184 20 30 CGEDHN CN(C)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185802859 374739031 /nfs/dbraw/zinc/73/90/31/374739031.db2.gz OQULFKAYTQZGIJ-OCCSQVGLSA-N 0 3 275.371 3.064 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cc(C#N)ccc1F ZINC000186391832 374843348 /nfs/dbraw/zinc/84/33/48/374843348.db2.gz CQYBRRHXQFWULS-IAGOWNOFSA-N 0 3 290.382 3.381 20 30 CGEDHN C=C(C)[C@@H](N[C@H]1CCO[C@H]1C)c1ccc(F)c(F)c1 ZINC000186452681 374854315 /nfs/dbraw/zinc/85/43/15/374854315.db2.gz NVTHUKAGYBNCPI-NZVBXONLSA-N 0 3 267.319 3.349 20 30 CGEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(C)C#N ZINC000469580366 374990176 /nfs/dbraw/zinc/99/01/76/374990176.db2.gz JNIGGUHDHVVZET-HOCLYGCPSA-N 0 3 272.392 3.324 20 30 CGEDHN CCC[C@@H](CCc1ccccc1)NC(=O)C(C)C#N ZINC000469730960 374991070 /nfs/dbraw/zinc/99/10/70/374991070.db2.gz HUZBGOFZJIUSFS-HIFRSBDPSA-N 0 3 258.365 3.064 20 30 CGEDHN CCN(C(=O)C(C)C#N)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000470538109 374997618 /nfs/dbraw/zinc/99/76/18/374997618.db2.gz RXVGBKJZFVQICQ-XJKSGUPXSA-N 0 3 290.382 3.401 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470771523 374998896 /nfs/dbraw/zinc/99/88/96/374998896.db2.gz GBKBXUZNKJNWJQ-SFHVURJKSA-N 0 3 269.388 3.251 20 30 CGEDHN CN(Cc1ccc(F)c(C#N)c1)CC1(O)CCCCCC1 ZINC000187365528 375011463 /nfs/dbraw/zinc/01/14/63/375011463.db2.gz IBJBUWKDODYAHF-UHFFFAOYSA-N 0 3 290.382 3.214 20 30 CGEDHN CCC1(CO)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187699066 375075278 /nfs/dbraw/zinc/07/52/78/375075278.db2.gz LJLAFMCDIKFHSF-AWEZNQCLSA-N 0 3 272.392 3.104 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187760216 375088546 /nfs/dbraw/zinc/08/85/46/375088546.db2.gz MSBZYSDJFVKQLK-CJNGLKHVSA-N 0 3 281.346 3.499 20 30 CGEDHN C=C(C)[C@H](NCCCC(=O)OC)c1ccc(F)c(F)c1 ZINC000187766327 375091253 /nfs/dbraw/zinc/09/12/53/375091253.db2.gz HVYHGUWFGQBSSH-HNNXBMFYSA-N 0 3 283.318 3.125 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1CCCC ZINC000473175567 375045958 /nfs/dbraw/zinc/04/59/58/375045958.db2.gz PKIAMBPUEUSXMZ-DOTOQJQBSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCC[C@@H](O)CN1CCc2c(cccc2C(C)C)C1 ZINC000475386439 375134061 /nfs/dbraw/zinc/13/40/61/375134061.db2.gz HZILSTYWRFUGKG-MRXNPFEDSA-N 0 3 273.420 3.495 20 30 CGEDHN C[C@@H]1CCCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000187919336 375117410 /nfs/dbraw/zinc/11/74/10/375117410.db2.gz KWCAIJQEEJZTAQ-CYBMUJFWSA-N 0 3 296.374 3.230 20 30 CGEDHN C=CCSCCNCc1ccc(OCC)c(F)c1 ZINC000487274946 375216551 /nfs/dbraw/zinc/21/65/51/375216551.db2.gz HGNABKXUWVOLII-UHFFFAOYSA-N 0 3 269.385 3.233 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)s1 ZINC000335420694 375278567 /nfs/dbraw/zinc/27/85/67/375278567.db2.gz DBKCOVSOMJPEKC-WFASDCNBSA-N 0 3 276.405 3.011 20 30 CGEDHN COCCN(Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@@H]1C ZINC000487999180 375294479 /nfs/dbraw/zinc/29/44/79/375294479.db2.gz LEMRZAZPVHFCRH-SUMWQHHRSA-N 0 3 290.382 3.334 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2csc(Br)c2)C1 ZINC000335630637 375337109 /nfs/dbraw/zinc/33/71/09/375337109.db2.gz OLFREFKFDMWGHH-WPRPVWTQSA-N 0 3 285.210 3.292 20 30 CGEDHN Cc1cc(CN2CCC([C@H]3CCCO3)CC2)ccc1C#N ZINC000335681441 375342115 /nfs/dbraw/zinc/34/21/15/375342115.db2.gz BLSBFEFXFHYUPR-GOSISDBHSA-N 0 3 284.403 3.258 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000189588125 375418528 /nfs/dbraw/zinc/41/85/28/375418528.db2.gz VUAKLMUNOYCICJ-CYBMUJFWSA-N 0 3 253.349 3.056 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000493409108 375470378 /nfs/dbraw/zinc/47/03/78/375470378.db2.gz GBKWYIYKYDWJDF-JKSUJKDBSA-N 0 3 254.377 3.291 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1Cl ZINC000494491029 375488765 /nfs/dbraw/zinc/48/87/65/375488765.db2.gz ZKQAADFYADVTKX-GJZGRUSLSA-N 0 3 295.810 3.154 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000498907129 375628245 /nfs/dbraw/zinc/62/82/45/375628245.db2.gz ZRGOFOKRSZCOOV-LSDHHAIUSA-N 0 3 290.838 3.106 20 30 CGEDHN Cc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1C#N ZINC000336096249 375684023 /nfs/dbraw/zinc/68/40/23/375684023.db2.gz XPIOKURHLMRJRY-KBXCAEBGSA-N 0 3 294.402 3.146 20 30 CGEDHN N#Cc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1F ZINC000192158699 375704771 /nfs/dbraw/zinc/70/47/71/375704771.db2.gz HSBGWWLFCPJLHT-SFHVURJKSA-N 0 3 298.361 3.301 20 30 CGEDHN Cc1ccc([C@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000510383042 375784712 /nfs/dbraw/zinc/78/47/12/375784712.db2.gz SNVFRBQKFLJGOF-RHSMWYFYSA-N 0 3 278.355 3.360 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)CCC ZINC000512180004 375794117 /nfs/dbraw/zinc/79/41/17/375794117.db2.gz NHZPFPVCKMVGBA-CYBMUJFWSA-N 0 3 251.370 3.339 20 30 CGEDHN C=C(C)[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1 ZINC000514734563 375805786 /nfs/dbraw/zinc/80/57/86/375805786.db2.gz HLPCDNFWSBFAOS-BZUAXINKSA-N 0 3 281.346 3.475 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3ncccc3c2)s1 ZINC000192975210 375809755 /nfs/dbraw/zinc/80/97/55/375809755.db2.gz RJBPGKHKKPBJMB-UHFFFAOYSA-N 0 3 279.368 3.458 20 30 CGEDHN C[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000192992985 375812345 /nfs/dbraw/zinc/81/23/45/375812345.db2.gz FYKDYOQRKVUKNC-AWEZNQCLSA-N 0 3 298.361 3.080 20 30 CGEDHN C[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000192993000 375812412 /nfs/dbraw/zinc/81/24/12/375812412.db2.gz FYKDYOQRKVUKNC-CQSZACIVSA-N 0 3 298.361 3.080 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC2(CCCC2)C1 ZINC000527327846 375892200 /nfs/dbraw/zinc/89/22/00/375892200.db2.gz VVCCDZQJHABTDF-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C#CCCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000193672238 375906298 /nfs/dbraw/zinc/90/62/98/375906298.db2.gz HSIKEDISPGRNFL-CQSZACIVSA-N 0 3 251.757 3.031 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000528763865 375910075 /nfs/dbraw/zinc/91/00/75/375910075.db2.gz NQBARFJSUMUSTG-OQMKEHIESA-N 0 3 277.795 3.093 20 30 CGEDHN C=CCCCN(CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000533954682 375957473 /nfs/dbraw/zinc/95/74/73/375957473.db2.gz SOAJNVZCVZGQOD-ZDUSSCGKSA-N 0 3 255.402 3.395 20 30 CGEDHN CCO[C@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000194464095 376005929 /nfs/dbraw/zinc/00/59/29/376005929.db2.gz WZFCZZUSRVLMSG-MRXNPFEDSA-N 0 3 286.400 3.487 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000336827600 375983622 /nfs/dbraw/zinc/98/36/22/375983622.db2.gz BZLKXACGQZKKMI-UHFFFAOYSA-N 0 3 292.345 3.096 20 30 CGEDHN C=CCN1CC[C@@H](N(CC)[C@@H](CC)c2ccccc2)C1=O ZINC000337137568 376094337 /nfs/dbraw/zinc/09/43/37/376094337.db2.gz OFZASQHMXCHUSY-DLBZAZTESA-N 0 3 286.419 3.247 20 30 CGEDHN Cc1cccc2oc(CCNCc3cccc(C#N)c3)nc21 ZINC000337144021 376098254 /nfs/dbraw/zinc/09/82/54/376098254.db2.gz ZKAQZBISQHSACR-UHFFFAOYSA-N 0 3 291.354 3.340 20 30 CGEDHN C=CCN1CC[C@@H](N2CCCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000337185076 376121721 /nfs/dbraw/zinc/12/17/21/376121721.db2.gz OBFMPIHLZPWAIK-QZTJIDSGSA-N 0 3 298.430 3.309 20 30 CGEDHN C=CC[C@H]1N(Cc2cnc(OC)nc2C)CCCC1(C)C ZINC000337267181 376178796 /nfs/dbraw/zinc/17/87/96/376178796.db2.gz ZWIBQAJTYBTGGS-OAHLLOKOSA-N 0 3 289.423 3.360 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000338026939 376255378 /nfs/dbraw/zinc/25/53/78/376255378.db2.gz LFMGLYNNGXPOQF-RBOXIYTFSA-N 0 3 288.366 3.494 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OCC(C)C)C2)c1 ZINC000539926775 376347656 /nfs/dbraw/zinc/34/76/56/376347656.db2.gz DMKAITYWJGRTJN-SFHVURJKSA-N 0 3 289.419 3.498 20 30 CGEDHN CCc1ccc(CNCc2ccc(C#N)c(OC)c2)s1 ZINC000225277998 376300252 /nfs/dbraw/zinc/30/02/52/376300252.db2.gz GARCGIDBSNPXEX-UHFFFAOYSA-N 0 3 286.400 3.481 20 30 CGEDHN CC(C)CCCN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000338448019 376378702 /nfs/dbraw/zinc/37/87/02/376378702.db2.gz UFMVHIDRTVFPOH-KRWDZBQOSA-N 0 3 299.418 3.079 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncnc3ccsc32)CC1 ZINC000264520492 190115894 /nfs/dbraw/zinc/11/58/94/190115894.db2.gz WPRXKVNWHZKUFT-UHFFFAOYSA-N 0 3 288.420 3.144 20 30 CGEDHN CC[C@H]1C[C@@]1(NCCOCCC#N)c1cccc(C)c1 ZINC000339157706 376717489 /nfs/dbraw/zinc/71/74/89/376717489.db2.gz CKJKGIMCVNCJIB-RDJZCZTQSA-N 0 3 272.392 3.140 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc(F)cc2C)n1 ZINC000155903908 542125893 /nfs/dbraw/zinc/12/58/93/542125893.db2.gz AAVDLPGLSSALHC-LBPRGKRZSA-N 0 3 274.320 3.389 20 30 CGEDHN CN(CCOCCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000555299747 376856175 /nfs/dbraw/zinc/85/61/75/376856175.db2.gz RRRKBHPRCDKXHL-UHFFFAOYSA-N 0 3 274.408 3.346 20 30 CGEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cc[nH]c(=O)c1 ZINC000340451210 377065812 /nfs/dbraw/zinc/06/58/12/377065812.db2.gz XQHZRHCAGVGVPG-GHMZBOCLSA-N 0 3 285.322 3.210 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000562629462 377338331 /nfs/dbraw/zinc/33/83/31/377338331.db2.gz QGELXILYZGZESO-JKSUJKDBSA-N 0 3 254.377 3.291 20 30 CGEDHN CCN(CC)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccco1 ZINC000248699453 377383783 /nfs/dbraw/zinc/38/37/83/377383783.db2.gz AAIHZLMERPEQCC-BZUAXINKSA-N 0 3 289.423 3.334 20 30 CGEDHN C=CCCCCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000568832263 377523368 /nfs/dbraw/zinc/52/33/68/377523368.db2.gz JZVLSBPDTDYUGJ-UHFFFAOYSA-N 0 3 286.419 3.191 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCCC[C@@H]1O ZINC000569931764 377530567 /nfs/dbraw/zinc/53/05/67/377530567.db2.gz KMYNUSLMVBHFIX-YRXWBPOGSA-N 0 3 298.430 3.309 20 30 CGEDHN C[C@]1(c2ccccc2)CC[C@@H](NCC2(C#N)CC2)C1 ZINC000569884609 377531043 /nfs/dbraw/zinc/53/10/43/377531043.db2.gz SWKXDVGDYYEOHB-CVEARBPZSA-N 0 3 254.377 3.390 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H](C)C2CCN(C)CC2)CCCC1 ZINC000569976755 377531134 /nfs/dbraw/zinc/53/11/34/377531134.db2.gz XLNMZVYBYAGHFH-OAHLLOKOSA-N 0 3 292.467 3.312 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000572205167 377547602 /nfs/dbraw/zinc/54/76/02/377547602.db2.gz ZPJONJYHTRBECY-HOTGVXAUSA-N 0 3 299.462 3.402 20 30 CGEDHN COCc1ccccc1CNCc1ccc(C#N)c(C)c1 ZINC000443980644 249137597 /nfs/dbraw/zinc/13/75/97/249137597.db2.gz DGQOQJUVFCKSFL-UHFFFAOYSA-N 0 3 280.371 3.303 20 30 CGEDHN Cc1cc(CNCc2ccc3c(c2)COC3)ccc1C#N ZINC000443984660 249137918 /nfs/dbraw/zinc/13/79/18/249137918.db2.gz HDAPDOUMQMZFFY-UHFFFAOYSA-N 0 3 278.355 3.187 20 30 CGEDHN C[C@H](N[C@@H]1CCC1(C)C)C(=O)N(CCC#N)c1ccccc1 ZINC000574183550 377630391 /nfs/dbraw/zinc/63/03/91/377630391.db2.gz MZDSPZSMJWUJPY-GOEBONIOSA-N 0 3 299.418 3.100 20 30 CGEDHN CC/C=C\CCN1CCN(c2ccccc2C#N)CC1 ZINC000342196113 377633109 /nfs/dbraw/zinc/63/31/09/377633109.db2.gz DNTNHTDPSMEJMR-ARJAWSKDSA-N 0 3 269.392 3.037 20 30 CGEDHN C[C@H](CC1CCCCC1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000575206961 377763251 /nfs/dbraw/zinc/76/32/51/377763251.db2.gz YMIABBIOEHTJTL-CXAGYDPISA-N 0 3 299.418 3.033 20 30 CGEDHN C=CCCN(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000342742498 377769005 /nfs/dbraw/zinc/76/90/05/377769005.db2.gz WNSGECNNNVNYPA-UHFFFAOYSA-N 0 3 294.196 3.333 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2C2CCC2)c1 ZINC000343014284 377882833 /nfs/dbraw/zinc/88/28/33/377882833.db2.gz HIFOYCDRAPZVQX-MRXNPFEDSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCCN(C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000343460687 377987419 /nfs/dbraw/zinc/98/74/19/377987419.db2.gz FROIPRBASVHSOE-LBPRGKRZSA-N 0 3 261.365 3.027 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](C)[C@H](OC)C1 ZINC000343468172 377988327 /nfs/dbraw/zinc/98/83/27/377988327.db2.gz LKJBMUINQVLYIG-WMLDXEAASA-N 0 3 275.392 3.108 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC#Cc2ccccc2)C12CCCC2 ZINC000578281780 378053886 /nfs/dbraw/zinc/05/38/86/378053886.db2.gz HLAZAZSVSKPRIM-MSOLQXFVSA-N 0 3 283.415 3.366 20 30 CGEDHN C=C(C)CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343751381 378082455 /nfs/dbraw/zinc/08/24/55/378082455.db2.gz QRWATUWLVISQSP-NSHDSACASA-N 0 3 287.329 3.194 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1cn2ccccc2n1 ZINC000578906881 378111888 /nfs/dbraw/zinc/11/18/88/378111888.db2.gz RQOQXUXGPFQCOF-IHRRRGAJSA-N 0 3 268.364 3.067 20 30 CGEDHN COC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000268818451 378121533 /nfs/dbraw/zinc/12/15/33/378121533.db2.gz QYUZTYJBDMTYOW-HNAYVOBHSA-N 0 3 294.398 3.467 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](CC)CC1 ZINC000343911923 378132891 /nfs/dbraw/zinc/13/28/91/378132891.db2.gz FGALOPCJKOGQBP-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCOC3(CCCC3)C2)c(F)c1 ZINC000269451883 378223071 /nfs/dbraw/zinc/22/30/71/378223071.db2.gz WDHGTGUFBKDOGD-HNNXBMFYSA-N 0 3 288.366 3.279 20 30 CGEDHN CCN1C[C@@H](C)N(c2cc(C#N)c3ccccc3n2)C[C@@H]1C ZINC000345155531 378206757 /nfs/dbraw/zinc/20/67/57/378206757.db2.gz XIKXQCXHYYTSOI-UONOGXRCSA-N 0 3 294.402 3.025 20 30 CGEDHN C[C@@H]1C[C@H](CO)CCN1Cc1ccccc1C(C)(C)C#N ZINC000344145249 378160944 /nfs/dbraw/zinc/16/09/44/378160944.db2.gz OVZYTICHSNEJKJ-HUUCEWRRSA-N 0 3 286.419 3.081 20 30 CGEDHN CC(C)[C@@H]1OCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000269470607 378226008 /nfs/dbraw/zinc/22/60/08/378226008.db2.gz ZZFBQVITWRMYNT-WBVHZDCISA-N 0 3 290.382 3.238 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCC1=CCCCC1 ZINC000580756385 378255935 /nfs/dbraw/zinc/25/59/35/378255935.db2.gz JXBBZDLPCMJSMZ-QGZVFWFLSA-N 0 3 282.387 3.376 20 30 CGEDHN CCC[C@H](C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582340771 378304855 /nfs/dbraw/zinc/30/48/55/378304855.db2.gz WTKBESJZNUAIKE-WMLDXEAASA-N 0 3 299.418 3.174 20 30 CGEDHN C=CCN(CCN1CCCCC1)Cc1ccccc1F ZINC000345916798 378408248 /nfs/dbraw/zinc/40/82/48/378408248.db2.gz DPKQYHGQEAAIEJ-UHFFFAOYSA-N 0 3 276.399 3.300 20 30 CGEDHN C[C@H](N[C@@H]1CCCSC1)c1ccc(C#N)c(F)c1 ZINC000271960445 378530686 /nfs/dbraw/zinc/53/06/86/378530686.db2.gz RDDPYRKIAZZNGU-GXFFZTMASA-N 0 3 264.369 3.244 20 30 CGEDHN C=CCN1CCC(Nc2cncc(-c3ccccc3)n2)CC1 ZINC000271967732 378533390 /nfs/dbraw/zinc/53/33/90/378533390.db2.gz SXXLOADZPFQNLZ-UHFFFAOYSA-N 0 3 294.402 3.206 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cc(F)ccc1OC ZINC000348029048 378758208 /nfs/dbraw/zinc/75/82/08/378758208.db2.gz HMFPVJRNYHWQJX-GFCCVEGCSA-N 0 3 267.344 3.078 20 30 CGEDHN COc1ccc(CNCCSC(C)(C)C)cc1C#N ZINC000266198749 190239708 /nfs/dbraw/zinc/23/97/08/190239708.db2.gz KNCNLCDSBQUKRA-UHFFFAOYSA-N 0 3 278.421 3.188 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cccc(F)c1F ZINC000348045857 378764727 /nfs/dbraw/zinc/76/47/27/378764727.db2.gz IWMKWMDFFLONJU-NSHDSACASA-N 0 3 255.308 3.208 20 30 CGEDHN C=CCOCCCN[C@H](C)c1ccccc1OCC ZINC000348048881 378766984 /nfs/dbraw/zinc/76/69/84/378766984.db2.gz HMGFSUJONHFXPR-CQSZACIVSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCOCCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000348052822 378768288 /nfs/dbraw/zinc/76/82/88/378768288.db2.gz UKQDPKLEUCGHOM-UHFFFAOYSA-N 0 3 273.298 3.128 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCc2cccc(CN)c21 ZINC000638544870 378832012 /nfs/dbraw/zinc/83/20/12/378832012.db2.gz MWYZGCIDFIHMMP-UHFFFAOYSA-N 0 3 284.403 3.193 20 30 CGEDHN C=CC1CCN(CC(=O)N(CC)C2CCCCC2)CC1 ZINC000348181535 378826212 /nfs/dbraw/zinc/82/62/12/378826212.db2.gz IDVFTUNMTUEYFB-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCCCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000274566564 378852049 /nfs/dbraw/zinc/85/20/49/378852049.db2.gz ZZZQUHSUBRUYKH-INIZCTEOSA-N 0 3 290.382 3.091 20 30 CGEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)ccc1F ZINC000348378627 378933792 /nfs/dbraw/zinc/93/37/92/378933792.db2.gz JXWGGYKSGBDOPD-NSHDSACASA-N 0 3 262.328 3.179 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1ccc(C#N)cc1F ZINC000348389673 378938001 /nfs/dbraw/zinc/93/80/01/378938001.db2.gz GXUREEUPFNISSO-ZMLRMANQSA-N 0 3 250.292 3.239 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000638875422 378944245 /nfs/dbraw/zinc/94/42/45/378944245.db2.gz SRHDFPGCEQZQQL-GDBMZVCRSA-N 0 3 288.435 3.431 20 30 CGEDHN C=CCC[C@H](CC)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278556199 194041215 /nfs/dbraw/zinc/04/12/15/194041215.db2.gz ALKANAGWYBQSNI-NSHDSACASA-N 0 3 288.351 3.306 20 30 CGEDHN CCS[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC ZINC000348469953 378960960 /nfs/dbraw/zinc/96/09/60/378960960.db2.gz PGDDVCPWEFHSHF-HOCLYGCPSA-N 0 3 290.432 3.331 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC ZINC000348469951 378961285 /nfs/dbraw/zinc/96/12/85/378961285.db2.gz PGDDVCPWEFHSHF-GDBMZVCRSA-N 0 3 290.432 3.331 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000348480634 378966337 /nfs/dbraw/zinc/96/63/37/378966337.db2.gz RVACMVUVGUQHEC-LSDHHAIUSA-N 0 3 278.396 3.461 20 30 CGEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC000276750746 378989986 /nfs/dbraw/zinc/98/99/86/378989986.db2.gz LAQQEVYZKLSAKV-UHFFFAOYSA-N 0 3 285.366 3.446 20 30 CGEDHN N#Cc1ccccc1OCCN1CC[C@H](CC(F)(F)F)C1 ZINC000278674854 194096094 /nfs/dbraw/zinc/09/60/94/194096094.db2.gz IOEZUCLVVWWWRD-GFCCVEGCSA-N 0 3 298.308 3.211 20 30 CGEDHN C[C@H](CCC#N)CN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000639264748 379210020 /nfs/dbraw/zinc/21/00/20/379210020.db2.gz FUQNIOYDJMEDDW-RDTXWAMCSA-N 0 3 298.386 3.036 20 30 CGEDHN CC[C@H](NC[C@H](O)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278902248 194204352 /nfs/dbraw/zinc/20/43/52/194204352.db2.gz ZLJRRXMKNWSVIL-HOTGVXAUSA-N 0 3 284.359 3.234 20 30 CGEDHN C=CCCNCc1nc2cc(Br)ccc2o1 ZINC000639306654 379256790 /nfs/dbraw/zinc/25/67/90/379256790.db2.gz GGVJCTYTNFPKOC-UHFFFAOYSA-N 0 3 281.153 3.256 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000349804934 379392436 /nfs/dbraw/zinc/39/24/36/379392436.db2.gz UPMWZKANTYLXIQ-AAEUAGOBSA-N 0 3 298.308 3.410 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OCC(F)(F)F)C1 ZINC000349821099 379401059 /nfs/dbraw/zinc/40/10/59/379401059.db2.gz ISRPBPDUBPWIJY-YPMHNXCESA-N 0 3 298.308 3.410 20 30 CGEDHN CC[C@H](NCCOc1ncccc1F)c1ccc(C#N)cc1 ZINC000278623952 379402713 /nfs/dbraw/zinc/40/27/13/379402713.db2.gz GJUZZVQYVQMSMT-INIZCTEOSA-N 0 3 299.349 3.212 20 30 CGEDHN Cc1ccc(CNCC2(CC#N)CC2)c(-c2cnn(C)c2)c1 ZINC000374653832 379473008 /nfs/dbraw/zinc/47/30/08/379473008.db2.gz QBZQWKWGSQAYBF-UHFFFAOYSA-N 0 3 294.402 3.179 20 30 CGEDHN C[C@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C2CC2)O1 ZINC000375907814 379517376 /nfs/dbraw/zinc/51/73/76/379517376.db2.gz ZHSZABPESYZATH-ZFWWWQNUSA-N 0 3 264.413 3.206 20 30 CGEDHN C=C(C)CN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639913268 379640184 /nfs/dbraw/zinc/64/01/84/379640184.db2.gz ATJUSNMEZQHZDB-ZDUSSCGKSA-N 0 3 257.736 3.068 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000639864309 379613869 /nfs/dbraw/zinc/61/38/69/379613869.db2.gz YEPSAWPIPAJZDF-ATLSCFEFSA-N 0 3 298.430 3.435 20 30 CGEDHN CN(CC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000352404190 379800470 /nfs/dbraw/zinc/80/04/70/379800470.db2.gz DTLUKIAIEGXVSG-MRXNPFEDSA-N 0 3 299.418 3.032 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000280691457 379764520 /nfs/dbraw/zinc/76/45/20/379764520.db2.gz BFTBWEQSFXNIND-CPUCHLNUSA-N 0 3 275.392 3.332 20 30 CGEDHN Cc1ccc([C@H](CNc2ccc(C#N)nc2)N2CCCC2)o1 ZINC000267397489 190327264 /nfs/dbraw/zinc/32/72/64/190327264.db2.gz OTMXIUSWIWQBIB-INIZCTEOSA-N 0 3 296.374 3.104 20 30 CGEDHN Cc1ccccc1CC(C)(C)NCc1nc(C#N)cs1 ZINC000352838375 379992943 /nfs/dbraw/zinc/99/29/43/379992943.db2.gz DQRFQSOFHBHVER-UHFFFAOYSA-N 0 3 285.416 3.434 20 30 CGEDHN C[C@@H](CC1CCCCC1)NCc1nc(C#N)cs1 ZINC000352891517 380021675 /nfs/dbraw/zinc/02/16/75/380021675.db2.gz JYPVRRMBTOPWJZ-NSHDSACASA-N 0 3 263.410 3.463 20 30 CGEDHN Cc1cc(C)cc([C@H](O)CNCc2ccc(C#N)cc2F)c1 ZINC000282995437 380022928 /nfs/dbraw/zinc/02/29/28/380022928.db2.gz NKOWWIPXTJUCPW-GOSISDBHSA-N 0 3 298.361 3.137 20 30 CGEDHN CC#CC[C@H](CO)NCc1cc(-c2ccccc2)cs1 ZINC000641768806 380087331 /nfs/dbraw/zinc/08/73/31/380087331.db2.gz IRRSSWDIIMXTBP-MRXNPFEDSA-N 0 3 285.412 3.279 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1N(C)C ZINC000414173341 380198527 /nfs/dbraw/zinc/19/85/27/380198527.db2.gz WWBDUXHYKLHHEU-LBPRGKRZSA-N 0 3 277.387 3.482 20 30 CGEDHN Cc1n[nH]cc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353911789 380230452 /nfs/dbraw/zinc/23/04/52/380230452.db2.gz CQHMSPSNZZUYIG-MRXNPFEDSA-N 0 3 268.364 3.243 20 30 CGEDHN C=CCOCCN[C@H](c1ccc(OC)cc1F)C1CC1 ZINC000643348407 380290309 /nfs/dbraw/zinc/29/03/09/380290309.db2.gz AXOXQWVGUNYXPV-INIZCTEOSA-N 0 3 279.355 3.078 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1nc(C)ccc1[O-] ZINC000414528813 380301821 /nfs/dbraw/zinc/30/18/21/380301821.db2.gz BIZHZEXRSIGEKP-INIZCTEOSA-N 0 3 282.387 3.373 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cc(C)on1 ZINC000414540243 380309467 /nfs/dbraw/zinc/30/94/67/380309467.db2.gz UBMITQNXNSCVLD-HNNXBMFYSA-N 0 3 256.349 3.260 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)CC(C)C ZINC000417360093 380608209 /nfs/dbraw/zinc/60/82/09/380608209.db2.gz JKEILNBFBJXYPA-XJKSGUPXSA-N 0 3 260.381 3.270 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(Oc2ccccc2)o1 ZINC000355682431 380750120 /nfs/dbraw/zinc/75/01/20/380750120.db2.gz LOBRPNUSNYSTKV-CQSZACIVSA-N 0 3 287.359 3.346 20 30 CGEDHN C=CCC[C@@H](O)CNC1(c2ccccc2F)CCC1 ZINC000646025750 380804760 /nfs/dbraw/zinc/80/47/60/380804760.db2.gz CAQMPACCAFJXAR-CYBMUJFWSA-N 0 3 263.356 3.122 20 30 CGEDHN COCCCCN(C)CC#Cc1ccccc1Cl ZINC000419391133 380827831 /nfs/dbraw/zinc/82/78/31/380827831.db2.gz QYYZDNMXTSRPGF-UHFFFAOYSA-N 0 3 265.784 3.050 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H](C)C1 ZINC000420902256 380860695 /nfs/dbraw/zinc/86/06/95/380860695.db2.gz MEPJUJFSZNTUNP-UKRRQHHQSA-N 0 3 290.363 3.150 20 30 CGEDHN Cc1noc(C)c1C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421370163 380908454 /nfs/dbraw/zinc/90/84/54/380908454.db2.gz WLYSEQKEKJUJIX-JTQLQIEISA-N 0 3 287.338 3.023 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000358308070 381302854 /nfs/dbraw/zinc/30/28/54/381302854.db2.gz XTHOIMOPCNKOOD-UONOGXRCSA-N 0 3 255.365 3.157 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000358312607 381303429 /nfs/dbraw/zinc/30/34/29/381303429.db2.gz BOYLBRDTNVVUCC-QWHCGFSZSA-N 0 3 275.396 3.442 20 30 CGEDHN CC(C#N)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000357788528 381283947 /nfs/dbraw/zinc/28/39/47/381283947.db2.gz CHIICGJIGOIFMO-HNNXBMFYSA-N 0 3 292.382 3.484 20 30 CGEDHN C=CCC1(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CCC1 ZINC000359641704 381358510 /nfs/dbraw/zinc/35/85/10/381358510.db2.gz WELQNXOHMLQACP-GASCZTMLSA-N 0 3 278.440 3.112 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000360115291 381452493 /nfs/dbraw/zinc/45/24/93/381452493.db2.gz LLJNPNOADROJHK-QWHCGFSZSA-N 0 3 291.826 3.126 20 30 CGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)CCCC#N)CC1 ZINC000360262529 381500095 /nfs/dbraw/zinc/50/00/95/381500095.db2.gz SVCRYNVKBUUKKK-OAHLLOKOSA-N 0 3 299.418 3.022 20 30 CGEDHN CCC(CC)CN(CCC#N)CC1(COC)CCC1 ZINC000361310596 381690390 /nfs/dbraw/zinc/69/03/90/381690390.db2.gz ULSJHUCLKICKRN-UHFFFAOYSA-N 0 3 266.429 3.455 20 30 CGEDHN CC(C)CC[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000361321525 381694412 /nfs/dbraw/zinc/69/44/12/381694412.db2.gz OWEARBWDZPSKDP-LJQANCHMSA-N 0 3 298.430 3.444 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(OC3CCC3)c2)C1 ZINC000361433043 381745223 /nfs/dbraw/zinc/74/52/23/381745223.db2.gz ZDUOGKYGPZVGRN-DZGCQCFKSA-N 0 3 285.391 3.185 20 30 CGEDHN N#Cc1ccc(F)cc1CN(CC1CC1)C1CCC1 ZINC000361588914 381822867 /nfs/dbraw/zinc/82/28/67/381822867.db2.gz SVCWZNZRKGMWRK-UHFFFAOYSA-N 0 3 258.340 3.462 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)[C@H]1CC[C@@H](C)C1 ZINC000361639412 381849016 /nfs/dbraw/zinc/84/90/16/381849016.db2.gz ONGFPHLPPGVROM-OLZOCXBDSA-N 0 3 278.421 3.257 20 30 CGEDHN COC1CCC(N(C)Cc2cccc(F)c2C#N)CC1 ZINC000362279871 381927776 /nfs/dbraw/zinc/92/77/76/381927776.db2.gz SAKVWQWUZVISRL-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN CC(C)(C)OCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362425943 381985726 /nfs/dbraw/zinc/98/57/26/381985726.db2.gz YQAGMHOKFXWOIZ-UHFFFAOYSA-N 0 3 284.403 3.462 20 30 CGEDHN C#Cc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000367369183 382345344 /nfs/dbraw/zinc/34/53/44/382345344.db2.gz AGPYGWBUKQWHTB-HXUWFJFHSA-N 0 3 289.378 3.299 20 30 CGEDHN C#CCCCC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000190425475 533022185 /nfs/dbraw/zinc/02/21/85/533022185.db2.gz AOKZWIQKZAXLKU-UHFFFAOYSA-N 0 3 284.403 3.333 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000347106905 533116169 /nfs/dbraw/zinc/11/61/69/533116169.db2.gz JIRAVGUSCFWTBY-XHDPSFHLSA-N 0 3 274.339 3.333 20 30 CGEDHN C[C@@H](C#N)CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000336613679 533153012 /nfs/dbraw/zinc/15/30/12/533153012.db2.gz KTMLOVHDALIHHH-CMPLNLGQSA-N 0 3 293.208 3.056 20 30 CGEDHN CCOc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000281779458 195378346 /nfs/dbraw/zinc/37/83/46/195378346.db2.gz SWSVJDGGGUNCST-UHFFFAOYSA-N 0 3 296.370 3.255 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000347056337 533237581 /nfs/dbraw/zinc/23/75/81/533237581.db2.gz BKORHKQMYTVLLP-DTWKUNHWSA-N 0 3 270.254 3.042 20 30 CGEDHN COCC[C@H](NCc1cccc(F)c1C#N)C(C)(C)C ZINC000428940638 533312749 /nfs/dbraw/zinc/31/27/49/533312749.db2.gz QYPOWKGTSYDHQR-HNNXBMFYSA-N 0 3 278.371 3.238 20 30 CGEDHN Cc1cc(CN2C[C@H](O)C[C@H]2c2ccccc2)ccc1C#N ZINC000411926527 533636321 /nfs/dbraw/zinc/63/63/21/533636321.db2.gz PVZBJIPHIWHERG-MOPGFXCFSA-N 0 3 292.382 3.175 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc(Br)cs1 ZINC000389417975 542607953 /nfs/dbraw/zinc/60/79/53/542607953.db2.gz WTPRZWMQGNWHRT-SECBINFHSA-N 0 3 290.226 3.364 20 30 CGEDHN CN(Cc1cc(C#N)n(C)c1)CC1(c2ccccc2)CC1 ZINC000191538434 130251490 /nfs/dbraw/zinc/25/14/90/130251490.db2.gz IXCOGNXUGXMCSC-UHFFFAOYSA-N 0 3 279.387 3.060 20 30 CGEDHN C=CCC[C@@H](O)CN1CC=C(c2cccc(OC)c2)CC1 ZINC000370505859 260066498 /nfs/dbraw/zinc/06/64/98/260066498.db2.gz ZOIBEKUYVKGGGY-QGZVFWFLSA-N 0 3 287.403 3.111 20 30 CGEDHN C#CCCOc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000285224663 392319263 /nfs/dbraw/zinc/31/92/63/392319263.db2.gz RXGPWBXEWPSXLH-MOPGFXCFSA-N 0 3 299.414 3.232 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](CC)c2cccc(Cl)c2)C1=O ZINC000282129035 392283168 /nfs/dbraw/zinc/28/31/68/392283168.db2.gz YNHQBBFBKSYWAC-GJZGRUSLSA-N 0 3 292.810 3.168 20 30 CGEDHN C=CCC[C@H](NCCN(C)CC(F)(F)F)c1ccco1 ZINC000285914473 392347437 /nfs/dbraw/zinc/34/74/37/392347437.db2.gz DKMPUSAXGBDNKF-LBPRGKRZSA-N 0 3 290.329 3.371 20 30 CGEDHN C=CCC[C@H](NC1CCC(NC(C)=O)CC1)c1ccco1 ZINC000285537306 392325270 /nfs/dbraw/zinc/32/52/70/392325270.db2.gz BZLAEESDHPJSPM-GPANFISMSA-N 0 3 290.407 3.324 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CCCOC2)cc1Cl ZINC000237696591 131052629 /nfs/dbraw/zinc/05/26/29/131052629.db2.gz IGEXJAAZPIVLIM-ZDUSSCGKSA-N 0 3 281.783 3.173 20 30 CGEDHN C=CC[C@H](C)NCc1c(C)nn(-c2ccccn2)c1Cl ZINC000286623807 392384086 /nfs/dbraw/zinc/38/40/86/392384086.db2.gz SCZAXLNNEUKBPM-NSHDSACASA-N 0 3 290.798 3.283 20 30 CGEDHN C=CCC[C@@H](NCCCNC(=O)C1CCC1)c1ccco1 ZINC000286197937 392379328 /nfs/dbraw/zinc/37/93/28/392379328.db2.gz RFGYZRRTIUCFKD-OAHLLOKOSA-N 0 3 290.407 3.183 20 30 CGEDHN CCN(CC#Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000289743492 392431125 /nfs/dbraw/zinc/43/11/25/392431125.db2.gz JRYUTMOYKPNDHG-QGZVFWFLSA-N 0 3 271.404 3.318 20 30 CGEDHN C[C@H](CNc1ccc(C#N)cc1)N1CCc2sccc2C1 ZINC000301063552 392584635 /nfs/dbraw/zinc/58/46/35/392584635.db2.gz CDINXLQAVFCFIQ-CYBMUJFWSA-N 0 3 297.427 3.478 20 30 CGEDHN CC#CCCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000156533005 392548275 /nfs/dbraw/zinc/54/82/75/392548275.db2.gz YEXFYAGHHYLKCM-AWEZNQCLSA-N 0 3 268.360 3.421 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000374271768 392674638 /nfs/dbraw/zinc/67/46/38/392674638.db2.gz HQCSLNUHOZNSJG-CVEARBPZSA-N 0 3 293.455 3.001 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000331397195 392694572 /nfs/dbraw/zinc/69/45/72/392694572.db2.gz FXSUDZQQKREMEX-IUODEOHRSA-N 0 3 270.376 3.366 20 30 CGEDHN C=C(C)CN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000303993889 392627661 /nfs/dbraw/zinc/62/76/61/392627661.db2.gz OEMBTUVQXKKWPY-MRXNPFEDSA-N 0 3 263.356 3.147 20 30 CGEDHN C=CCOc1cccc(CN(C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000181096652 392720294 /nfs/dbraw/zinc/72/02/94/392720294.db2.gz VQPYYBRJLAAIEG-AEFFLSMTSA-N 0 3 289.419 3.234 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000185952591 392775264 /nfs/dbraw/zinc/77/52/64/392775264.db2.gz NTOODXMYYXNTDV-BHYGNILZSA-N 0 3 286.419 3.150 20 30 CGEDHN CCOC[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186231262 392780156 /nfs/dbraw/zinc/78/01/56/392780156.db2.gz ZQSMJSWVSYOJOK-INIZCTEOSA-N 0 3 272.392 3.115 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338362098 392912300 /nfs/dbraw/zinc/91/23/00/392912300.db2.gz TWUDQUMANFOYTH-CHWSQXEVSA-N 0 3 291.357 3.368 20 30 CGEDHN C=CCCN(C)Cc1cnn(-c2ccccc2C)c1 ZINC000648027979 392875750 /nfs/dbraw/zinc/87/57/50/392875750.db2.gz KDRFWRKXDLALBK-UHFFFAOYSA-N 0 3 255.365 3.189 20 30 CGEDHN C=CCCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338757934 392926859 /nfs/dbraw/zinc/92/68/59/392926859.db2.gz RAABCLFTKIMMSX-CQSZACIVSA-N 0 3 280.799 3.025 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000521217589 392927772 /nfs/dbraw/zinc/92/77/72/392927772.db2.gz BOUKFGWERDZOLQ-IRXDYDNUSA-N 0 3 267.376 3.207 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1nc2ccccc2nc1C ZINC000489511538 542716110 /nfs/dbraw/zinc/71/61/10/542716110.db2.gz NFLODHVFFQENLK-CQSZACIVSA-N 0 3 267.376 3.479 20 30 CGEDHN Cc1ccc(C)c([C@H](C)N(C)CCOCCC#N)c1 ZINC000338940213 392935725 /nfs/dbraw/zinc/93/57/25/392935725.db2.gz VRFOMQMDFAIYEB-HNNXBMFYSA-N 0 3 260.381 3.227 20 30 CGEDHN C[C@@H]1CCN(CCOCCC#N)[C@H]1c1cccc(F)c1 ZINC000339011196 392941587 /nfs/dbraw/zinc/94/15/87/392941587.db2.gz QOVIASJPPPSTOP-CZUORRHYSA-N 0 3 276.355 3.139 20 30 CGEDHN C[C@H](NCCOCCC#N)c1ccccc1C(F)(F)F ZINC000339071570 392945990 /nfs/dbraw/zinc/94/59/90/392945990.db2.gz OLMWSHSYIXYAQE-NSHDSACASA-N 0 3 286.297 3.286 20 30 CGEDHN COc1ccc(CNCc2ccc(C#N)s2)c(C)c1 ZINC000540622924 542753147 /nfs/dbraw/zinc/75/31/47/542753147.db2.gz BKYUBEXEVSFBGH-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN COc1ccc(-c2ccc(CNC(=O)C(C)C#N)cc2)cc1 ZINC000346277340 393081706 /nfs/dbraw/zinc/08/17/06/393081706.db2.gz HOYLBXCPVYXWNM-ZDUSSCGKSA-N 0 3 294.354 3.138 20 30 CGEDHN CC[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C#N)cc1 ZINC000414298133 393047357 /nfs/dbraw/zinc/04/73/57/393047357.db2.gz JHPJOFNXDPFOBM-KFWWJZLASA-N 0 3 294.345 3.148 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(OC)CCCC1 ZINC000348639940 393127330 /nfs/dbraw/zinc/12/73/30/393127330.db2.gz FPAMKDKCHNEINH-UHFFFAOYSA-N 0 3 293.407 3.109 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](COC(F)F)C1 ZINC000348880448 393134793 /nfs/dbraw/zinc/13/47/93/393134793.db2.gz VGPGNKUKWKDRTO-CYBMUJFWSA-N 0 3 297.345 3.313 20 30 CGEDHN Cc1cc2c(cc1C)[C@H](NCCCC#N)CCCO2 ZINC000346804292 292010145 /nfs/dbraw/zinc/01/01/45/292010145.db2.gz GXRXCVVEXRQJNK-OAHLLOKOSA-N 0 3 258.365 3.411 20 30 CGEDHN COC1(CNCc2cccc(C#N)c2)CCC(C)CC1 ZINC000355423607 393318429 /nfs/dbraw/zinc/31/84/29/393318429.db2.gz RSOZGPRTSPVHFX-UHFFFAOYSA-N 0 3 272.392 3.243 20 30 CGEDHN COC1(CNCc2cc(C#N)cs2)CCC(C)CC1 ZINC000355429241 393319725 /nfs/dbraw/zinc/31/97/25/393319725.db2.gz ZGBZOYSYOWQNKR-UHFFFAOYSA-N 0 3 278.421 3.305 20 30 CGEDHN COc1cc(CN[C@H]2CS[C@@H](C(C)C)C2)ccc1C#N ZINC000356374121 393431238 /nfs/dbraw/zinc/43/12/38/393431238.db2.gz WUPUDYRDUAZLBB-GDBMZVCRSA-N 0 3 290.432 3.187 20 30 CGEDHN CO[C@H](C)CN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356295385 393412541 /nfs/dbraw/zinc/41/25/41/393412541.db2.gz BNGFJMUKRKRQBD-SNVBAGLBSA-N 0 3 286.297 3.044 20 30 CGEDHN CC(C#N)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000357845732 393517875 /nfs/dbraw/zinc/51/78/75/393517875.db2.gz ZVZFUGVZNDJKAR-GXTWGEPZSA-N 0 3 258.365 3.440 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000443650371 393769667 /nfs/dbraw/zinc/76/96/67/393769667.db2.gz IVYFFQGBFYNQCW-KFWWJZLASA-N 0 3 299.418 3.253 20 30 CGEDHN Cc1noc(C)c1C[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443989285 393780225 /nfs/dbraw/zinc/78/02/25/393780225.db2.gz OSIHIIMYDJKJFX-GFCCVEGCSA-N 0 3 283.375 3.192 20 30 CGEDHN CO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000449634163 393929688 /nfs/dbraw/zinc/92/96/88/393929688.db2.gz RCHZXOIHOXHYKK-DLBZAZTESA-N 0 3 284.403 3.256 20 30 CGEDHN C=CCC1(CNCc2c(Cl)cnn2C)CCCC1 ZINC000449605195 393919202 /nfs/dbraw/zinc/91/92/02/393919202.db2.gz MMLPZEUCTOFZNW-UHFFFAOYSA-N 0 3 267.804 3.300 20 30 CGEDHN C=C(C)[C@H](NCCC[C@@H](C)O)c1ccc(F)c(F)c1 ZINC000450784480 394035650 /nfs/dbraw/zinc/03/56/50/394035650.db2.gz ZSTDYJRKZFDJCZ-ABAIWWIYSA-N 0 3 269.335 3.333 20 30 CGEDHN CO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C12CCC2 ZINC000453197366 394201861 /nfs/dbraw/zinc/20/18/61/394201861.db2.gz SLQBFEDXZWFSAG-IUIKQTSFSA-N 0 3 288.366 3.306 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)Nc1cccc(CN)c1 ZINC000667736940 542924260 /nfs/dbraw/zinc/92/42/60/542924260.db2.gz YTEOZPAFGZGACA-LBPRGKRZSA-N 0 3 261.369 3.012 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000668625665 543037771 /nfs/dbraw/zinc/03/77/71/543037771.db2.gz XPHRZMBVGDVBKE-CABCVRRESA-N 0 3 275.392 3.251 20 30 CGEDHN CC(C)OC[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619748719 397714737 /nfs/dbraw/zinc/71/47/37/397714737.db2.gz MGYPKINQJCXSOU-NSHDSACASA-N 0 3 266.772 3.115 20 30 CGEDHN C=CCC[C@H](O)CN1CCc2cc(F)ccc2[C@@H]1C ZINC000675496954 543345091 /nfs/dbraw/zinc/34/50/91/543345091.db2.gz FPIWUKMIOXCECA-WFASDCNBSA-N 0 3 263.356 3.072 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1ccccc1C(F)(F)F ZINC000677046788 543427780 /nfs/dbraw/zinc/42/77/80/543427780.db2.gz JJPYVOPXJKFXMM-ZDUSSCGKSA-N 0 3 273.298 3.074 20 30 CGEDHN Cc1ccc(NC[C@H](C)N(C)Cc2ccccc2)nc1C#N ZINC000302603186 292161425 /nfs/dbraw/zinc/16/14/25/292161425.db2.gz CQCMHDULTQIRCK-HNNXBMFYSA-N 0 3 294.402 3.194 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000677480245 543451141 /nfs/dbraw/zinc/45/11/41/543451141.db2.gz WBAARPJYVCANID-OAHLLOKOSA-N 0 3 299.418 3.074 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000678739950 543552389 /nfs/dbraw/zinc/55/23/89/543552389.db2.gz ADPHAQGCQGGKCB-CJNGLKHVSA-N 0 3 263.381 3.061 20 30 CGEDHN COc1cc(C#N)ccc1CN(C(C)C)C1CCC1 ZINC000121445763 286191936 /nfs/dbraw/zinc/19/19/36/286191936.db2.gz GZBMZQBNJXUPCV-UHFFFAOYSA-N 0 3 258.365 3.330 20 30 CGEDHN COCC1(C)CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000358747393 292227657 /nfs/dbraw/zinc/22/76/57/292227657.db2.gz SESPKCJKCNNJIZ-AWEZNQCLSA-N 0 3 272.392 3.368 20 30 CGEDHN C[C@H](c1cccnc1)N(C)CCCOc1cccc(C#N)c1 ZINC000093236013 165327053 /nfs/dbraw/zinc/32/70/53/165327053.db2.gz QABLDBITJOFUPB-OAHLLOKOSA-N 0 3 295.386 3.415 20 30 CGEDHN COc1cc(C#N)ccc1CN(C1CC1)C1CCCC1 ZINC000120905633 287189278 /nfs/dbraw/zinc/18/92/78/287189278.db2.gz BYDGHXCTBNUFHY-UHFFFAOYSA-N 0 3 270.376 3.474 20 30 CGEDHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000007379299 170280936 /nfs/dbraw/zinc/28/09/36/170280936.db2.gz MINJWYRQLDDQJK-ZIAGYGMSSA-N 0 3 293.370 3.236 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000342734306 416541401 /nfs/dbraw/zinc/54/14/01/416541401.db2.gz JPYFFTDBAXNMIM-QWHCGFSZSA-N 0 3 294.826 3.414 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000679576538 543648068 /nfs/dbraw/zinc/64/80/68/543648068.db2.gz OZUBLQONYNFYDF-CYBMUJFWSA-N 0 3 251.345 3.296 20 30 CGEDHN CC(C#N)C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000347046295 226029307 /nfs/dbraw/zinc/02/93/07/226029307.db2.gz KGVNDFJYWDNJMB-CQSZACIVSA-N 0 3 270.376 3.017 20 30 CGEDHN COC[C@@H](Cc1ccccc1)N(C)CCC(C)(C)C#N ZINC000347179713 226070670 /nfs/dbraw/zinc/07/06/70/226070670.db2.gz ZNECBSLGFGUSDC-MRXNPFEDSA-N 0 3 274.408 3.116 20 30 CGEDHN CCC#C[C@H](C)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000685581654 544086858 /nfs/dbraw/zinc/08/68/58/544086858.db2.gz RCEGPFQHXYEQLZ-AFAVFJNCSA-N 0 3 292.373 3.102 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000336569816 227124829 /nfs/dbraw/zinc/12/48/29/227124829.db2.gz ZFGRCVABGBOUKU-LLVKDONJSA-N 0 3 274.751 3.115 20 30 CGEDHN N#Cc1ccc(CNCCc2cc(F)cc(F)c2)s1 ZINC000135688660 287474196 /nfs/dbraw/zinc/47/41/96/287474196.db2.gz RLSQBXVMRLENIS-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN C=CCNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000653848366 419096143 /nfs/dbraw/zinc/09/61/43/419096143.db2.gz BETGMWZUKJZURN-UHFFFAOYSA-N 0 3 257.255 3.350 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](OC)C1CCC1 ZINC000660226508 419104717 /nfs/dbraw/zinc/10/47/17/419104717.db2.gz XTWWDMOCSOGCAY-MRXNPFEDSA-N 0 3 263.381 3.125 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC(C)(C)C[C@H]2C)nn1 ZINC000653619765 419061228 /nfs/dbraw/zinc/06/12/28/419061228.db2.gz DJROSIZUTQZKKQ-HIFRSBDPSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(Cl)c1)[C@@H](C)COC ZINC000661239513 419243469 /nfs/dbraw/zinc/24/34/69/419243469.db2.gz HNDCXCANTAKOEE-LBPRGKRZSA-N 0 3 283.799 3.372 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000661378913 419255181 /nfs/dbraw/zinc/25/51/81/419255181.db2.gz OGTCVLRJJBDSBQ-JKSUJKDBSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnnn2-c2ccccc2)C1 ZINC000661385908 419257119 /nfs/dbraw/zinc/25/71/19/419257119.db2.gz QSOYWGPAFSSPOB-HNNXBMFYSA-N 0 3 282.391 3.055 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C2CCC2)n1C ZINC000661115543 419231793 /nfs/dbraw/zinc/23/17/93/419231793.db2.gz TXKNIJGCLHTWKG-ZFWWWQNUSA-N 0 3 288.439 3.307 20 30 CGEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCCCC#N ZINC000353239342 228073188 /nfs/dbraw/zinc/07/31/88/228073188.db2.gz BAVUPGJADWGIQE-HNNXBMFYSA-N 0 3 258.365 3.311 20 30 CGEDHN C=CCOCCCNCc1nc(-c2ccccc2)cs1 ZINC000657658466 419320605 /nfs/dbraw/zinc/32/06/05/419320605.db2.gz ZDMFGUBQIYOAAD-UHFFFAOYSA-N 0 3 288.416 3.492 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)N(C)C)c1 ZINC000662080731 419333971 /nfs/dbraw/zinc/33/39/71/419333971.db2.gz QFRYHXNWEBWYMN-CALCHBBNSA-N 0 3 284.403 3.071 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000336236889 228219088 /nfs/dbraw/zinc/21/90/88/228219088.db2.gz IIPZBESFWZATNB-WDEREUQCSA-N 0 3 256.305 3.112 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](CO)c1ccc(F)cc1F ZINC000662165246 419351620 /nfs/dbraw/zinc/35/16/20/419351620.db2.gz MDGPRQFZHDEQLF-ABAIWWIYSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCCC(C)(C)NCc1c(Br)cnn1C ZINC000657804742 419360585 /nfs/dbraw/zinc/36/05/85/419360585.db2.gz CLAYJUDABLOQDZ-UHFFFAOYSA-N 0 3 286.217 3.017 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000658104635 419585589 /nfs/dbraw/zinc/58/55/89/419585589.db2.gz AZOZYACXJLLWHW-HOCLYGCPSA-N 0 3 286.419 3.299 20 30 CGEDHN C=CCC[C@@H](NC[C@@H](CO)CC1CC1)c1ccco1 ZINC000658257296 419713681 /nfs/dbraw/zinc/71/36/81/419713681.db2.gz ZIHBLRPURUEHNP-LSDHHAIUSA-N 0 3 263.381 3.285 20 30 CGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C ZINC000521040078 260027701 /nfs/dbraw/zinc/02/77/01/260027701.db2.gz ZTJDTHJZQBSSEL-UHFFFAOYSA-N 0 3 268.307 3.390 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000298336100 260150489 /nfs/dbraw/zinc/15/04/89/260150489.db2.gz QMXAADSNECHUKN-OAHLLOKOSA-N 0 3 257.333 3.001 20 30 CGEDHN C=CCC[C@H](NC(=O)[C@@H](CC)N(C)C)c1ccccc1 ZINC000298712634 260161717 /nfs/dbraw/zinc/16/17/17/260161717.db2.gz WFYRBAHTKIMVCL-JKSUJKDBSA-N 0 3 274.408 3.150 20 30 CGEDHN N#CC1(c2ccccc2)CC(NCc2ccsc2)C1 ZINC000086038181 260206663 /nfs/dbraw/zinc/20/66/63/260206663.db2.gz HHPIIHKLGBORLT-UHFFFAOYSA-N 0 3 268.385 3.462 20 30 CGEDHN COCCN(Cc1ccco1)CC(C)(C)CCC#N ZINC000092562831 260496661 /nfs/dbraw/zinc/49/66/61/260496661.db2.gz KXEXAWKDFIVWJU-UHFFFAOYSA-N 0 3 264.369 3.058 20 30 CGEDHN C=C(C)COc1cc(CN[C@H](C)CSC)ccc1OC ZINC000130723832 260863118 /nfs/dbraw/zinc/86/31/18/260863118.db2.gz GEWUGPMPPFEVQW-CYBMUJFWSA-N 0 3 295.448 3.491 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C#N)c(F)c1 ZINC000424333926 269845276 /nfs/dbraw/zinc/84/52/76/269845276.db2.gz UVUZPPQZYKAJDH-UHIISALHSA-N 0 3 257.312 3.040 20 30 CGEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1F ZINC000192633005 262206672 /nfs/dbraw/zinc/20/66/72/262206672.db2.gz PXABHNHSHLESBC-AAEUAGOBSA-N 0 3 262.328 3.006 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000054182569 262260210 /nfs/dbraw/zinc/26/02/10/262260210.db2.gz FCGJJXXCPUIFKI-OCCSQVGLSA-N 0 3 274.364 3.018 20 30 CGEDHN C=CCCCCCN1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000338334361 262523020 /nfs/dbraw/zinc/52/30/20/262523020.db2.gz WJEQHTZFIJMSST-CQSZACIVSA-N 0 3 262.401 3.387 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(-n2cccn2)cc1 ZINC000272041086 263001313 /nfs/dbraw/zinc/00/13/13/263001313.db2.gz QZJMRPCXGYHAGG-CQSZACIVSA-N 0 3 282.391 3.463 20 30 CGEDHN COC(=O)c1ccc(-c2ccc(CNCCCC#N)o2)cc1 ZINC000274830355 263030904 /nfs/dbraw/zinc/03/09/04/263030904.db2.gz JIGANXOJNTYOJT-UHFFFAOYSA-N 0 3 298.342 3.127 20 30 CGEDHN N#CC1CCC(CNCc2cc(F)ccc2F)CC1 ZINC000281451680 263069037 /nfs/dbraw/zinc/06/90/37/263069037.db2.gz AIKGMFRZKSTHNO-UHFFFAOYSA-N 0 3 264.319 3.384 20 30 CGEDHN COC(=O)Nc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000287736632 263102538 /nfs/dbraw/zinc/10/25/38/263102538.db2.gz YREFLSDGBZQUOF-OCCSQVGLSA-N 0 3 287.363 3.037 20 30 CGEDHN CC(C)c1ccc(CN(C)CCOCCC#N)cc1 ZINC000293499129 263141983 /nfs/dbraw/zinc/14/19/83/263141983.db2.gz NPHNGOCQSCKAIL-UHFFFAOYSA-N 0 3 260.381 3.172 20 30 CGEDHN N#CCCOCCN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000293625618 263145091 /nfs/dbraw/zinc/14/50/91/263145091.db2.gz WKFAMUVZEBOPGP-UHFFFAOYSA-N 0 3 297.402 3.278 20 30 CGEDHN Cc1cc(C)cc(C2=CCN(CCOCCC#N)CC2)c1 ZINC000293890480 263151711 /nfs/dbraw/zinc/15/17/11/263151711.db2.gz VBJSLEQNVVOOFR-UHFFFAOYSA-N 0 3 284.403 3.323 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(N3CCc4ccccc43)CC2)C1 ZINC000294194051 263157589 /nfs/dbraw/zinc/15/75/89/263157589.db2.gz RDCXUTXWUXHEPZ-MAUKXSAKSA-N 0 3 295.430 3.206 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(SCC(F)F)cc1 ZINC000353581150 263193945 /nfs/dbraw/zinc/19/39/45/263193945.db2.gz YNQVQTVIJPGDQJ-ZYHUDNBSSA-N 0 3 287.375 3.241 20 30 CGEDHN C[C@@H](CCC#N)N(C)CCOc1ccccc1Cl ZINC000297835093 263210671 /nfs/dbraw/zinc/21/06/71/263210671.db2.gz KCAFQPBDXODTPH-LBPRGKRZSA-N 0 3 266.772 3.343 20 30 CGEDHN C=CCN(CCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000298305309 263217163 /nfs/dbraw/zinc/21/71/63/263217163.db2.gz YHFYUPHXDAUDTC-IAGOWNOFSA-N 0 3 254.377 3.409 20 30 CGEDHN CC[C@H](N[C@H](C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000299183151 263233269 /nfs/dbraw/zinc/23/32/69/263233269.db2.gz ZOALQQHFWSDAQR-RISCZKNCSA-N 0 3 261.325 3.328 20 30 CGEDHN COc1ccccc1[C@H]1CCN([C@H](C)CCC#N)C1 ZINC000299277007 263237583 /nfs/dbraw/zinc/23/75/83/263237583.db2.gz MSCWVLPCAPIOIG-KGLIPLIRSA-N 0 3 258.365 3.177 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](CC)c1ccc(F)cc1F ZINC000341878224 263361403 /nfs/dbraw/zinc/36/14/03/263361403.db2.gz MHVYYLHYNDQNHO-NHYWBVRUSA-N 0 3 269.335 3.190 20 30 CGEDHN COCC1(C#N)CCN(Cc2c(C)cc(C)cc2C)CC1 ZINC000341975050 263368958 /nfs/dbraw/zinc/36/89/58/263368958.db2.gz JHAJZGVEJGJSJL-UHFFFAOYSA-N 0 3 286.419 3.364 20 30 CGEDHN C=C1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000342185061 263394861 /nfs/dbraw/zinc/39/48/61/263394861.db2.gz RZSDYWKCWRFGPZ-INIZCTEOSA-N 0 3 289.419 3.202 20 30 CGEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(C)C#N)CCC2 ZINC000342973446 263558605 /nfs/dbraw/zinc/55/86/05/263558605.db2.gz BSCPDBJHOCZKBN-MLGOLLRUSA-N 0 3 270.376 3.463 20 30 CGEDHN O=C(Nc1cccc2ocnc21)C1CCN(C2CC2)CC1 ZINC000328866981 263883418 /nfs/dbraw/zinc/88/34/18/263883418.db2.gz GVKALJIPGAYHDW-UHFFFAOYSA-N 0 3 285.347 3.290 20 30 CGEDHN C=C1CCN(CCC(=O)N2CCCc3ccccc32)CC1 ZINC000285137323 264554641 /nfs/dbraw/zinc/55/46/41/264554641.db2.gz SRIGTKCCQLNEES-UHFFFAOYSA-N 0 3 284.403 3.008 20 30 CGEDHN C[C@H]1CSC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000285938586 264566015 /nfs/dbraw/zinc/56/60/15/264566015.db2.gz MAWPOWJMEYLEKX-SMDDNHRTSA-N 0 3 299.361 3.398 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](C)[C@H](O)c2ccccc2)c1 ZINC000288656632 264675390 /nfs/dbraw/zinc/67/53/90/264675390.db2.gz VMMYAOYENYDZAF-KXBFYZLASA-N 0 3 297.398 3.463 20 30 CGEDHN C=CCC(F)(F)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000293637973 264978445 /nfs/dbraw/zinc/97/84/45/264978445.db2.gz YMRJPMJWQWMGNL-TZMCWYRMSA-N 0 3 296.361 3.005 20 30 CGEDHN C=CCN1CCC(NC(=O)c2sccc2C(C)C)CC1 ZINC000357813345 266370898 /nfs/dbraw/zinc/37/08/98/266370898.db2.gz AFVQMFBTWKRXNG-UHFFFAOYSA-N 0 3 292.448 3.252 20 30 CGEDHN C=C[C@H](C)NCc1cc(-c2ccncc2)ccc1OC ZINC000358986006 266518263 /nfs/dbraw/zinc/51/82/63/266518263.db2.gz LCVSFSCVAOILBM-ZDUSSCGKSA-N 0 3 268.360 3.421 20 30 CGEDHN CC(C)=CCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527810497 270137464 /nfs/dbraw/zinc/13/74/64/270137464.db2.gz MGLRQGAZOTYPRX-UHFFFAOYSA-N 0 3 270.376 3.120 20 30 CGEDHN C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000528001162 270150092 /nfs/dbraw/zinc/15/00/92/270150092.db2.gz HVVBUTMAXNUJKA-XMQPUEPBSA-N 0 3 276.355 3.160 20 30 CGEDHN C#C[C@H](C)NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000368590224 267188876 /nfs/dbraw/zinc/18/88/76/267188876.db2.gz CPMVSCBXLVQUCM-JTQLQIEISA-N 0 3 293.292 3.207 20 30 CGEDHN Cc1ncccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000527988457 268089249 /nfs/dbraw/zinc/08/92/49/268089249.db2.gz SNLDGGUXCOKONC-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN CCCN1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000337913854 273614148 /nfs/dbraw/zinc/61/41/48/273614148.db2.gz MBXCRKTXXZHONF-UHFFFAOYSA-N 0 3 297.324 3.109 20 30 CGEDHN CC[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)OC ZINC000353102327 276424806 /nfs/dbraw/zinc/42/48/06/276424806.db2.gz BSSPRWNLJGOIQB-LBPRGKRZSA-N 0 3 286.297 3.092 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccc(C#N)cc1 ZINC000160222566 277621396 /nfs/dbraw/zinc/62/13/96/277621396.db2.gz HSTSEBWUEGNOPH-DOMZBBRYSA-N 0 3 258.365 3.166 20 30 CGEDHN CC1(C)CCC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331167074 278236436 /nfs/dbraw/zinc/23/64/36/278236436.db2.gz MXZMPTWFWXBKSV-UONOGXRCSA-N 0 3 271.364 3.303 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1F)N1CCC[C@@]2(CCOC2)C1 ZINC000334531256 278306540 /nfs/dbraw/zinc/30/65/40/278306540.db2.gz QYZBSYRYLJGOLI-CXAGYDPISA-N 0 3 288.366 3.261 20 30 CGEDHN COc1cc(CN2CC(C)(C)[C@@H]2C(C)C)ccc1C#N ZINC000552072106 289159875 /nfs/dbraw/zinc/15/98/75/289159875.db2.gz VUUMIYXEEDRNID-INIZCTEOSA-N 0 3 272.392 3.433 20 30 CGEDHN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000344301948 292826501 /nfs/dbraw/zinc/82/65/01/292826501.db2.gz VGZKZIXJOFIMLR-SWLSCSKDSA-N 0 3 286.400 3.312 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000580147434 327710760 /nfs/dbraw/zinc/71/07/60/327710760.db2.gz RSSZZGHCXAVTHG-HIFRSBDPSA-N 0 3 299.374 3.199 20 30 CGEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000185813216 327846003 /nfs/dbraw/zinc/84/60/03/327846003.db2.gz UYYPBGHCECNBHM-IPYPFGDCSA-N 0 3 286.375 3.191 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@H](CCCO)c2ccccc2)C1 ZINC000192892120 327878947 /nfs/dbraw/zinc/87/89/47/327878947.db2.gz BKICDQNNIANIJD-USXIJHARSA-N 0 3 272.392 3.172 20 30 CGEDHN CC[C@@H](CC#N)NCCCOc1ccc(C)c(C)c1 ZINC000563366319 328059473 /nfs/dbraw/zinc/05/94/73/328059473.db2.gz PZFJZZRCEKYKSM-HNNXBMFYSA-N 0 3 260.381 3.354 20 30 CGEDHN C=CCCCCCCNCc1cn(C(C)C)nn1 ZINC000289966652 328132961 /nfs/dbraw/zinc/13/29/61/328132961.db2.gz CTYKTCDWIYWPCO-UHFFFAOYSA-N 0 3 250.390 3.085 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000274638614 328212188 /nfs/dbraw/zinc/21/21/88/328212188.db2.gz QQIRXGKGONGLJS-SNPRPXQTSA-N 0 3 286.375 3.191 20 30 CGEDHN COc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1C ZINC000278623621 328228730 /nfs/dbraw/zinc/22/87/30/328228730.db2.gz NOAGFWHRAJDEAI-UKRRQHHQSA-N 0 3 258.365 3.128 20 30 CGEDHN CC(C)Oc1cccc([C@H](C)NCCOCCC#N)c1 ZINC000293875395 328278304 /nfs/dbraw/zinc/27/83/04/328278304.db2.gz SXYBATMEVDHMQU-AWEZNQCLSA-N 0 3 276.380 3.055 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000294526708 328281493 /nfs/dbraw/zinc/28/14/93/328281493.db2.gz WWBZSKRHCGMYCB-SFHVURJKSA-N 0 3 297.402 3.161 20 30 CGEDHN CCC(O)(CC)C(C)(C)CNCc1ccc(C#N)cc1F ZINC000565241194 322069433 /nfs/dbraw/zinc/06/94/33/322069433.db2.gz ARPDKAFSPPZPQB-UHFFFAOYSA-N 0 3 292.398 3.364 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000565400534 322076185 /nfs/dbraw/zinc/07/61/85/322076185.db2.gz JSRAMCAIHKBRCS-OAHLLOKOSA-N 0 3 281.334 3.082 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000565895330 322095682 /nfs/dbraw/zinc/09/56/82/322095682.db2.gz RTJWHPAKVJRTIP-NSHDSACASA-N 0 3 273.336 3.087 20 30 CGEDHN Cc1nc(N[C@@H]2CN(C(C)C)C[C@H]2C)c(Cl)cc1C#N ZINC000573380711 322384758 /nfs/dbraw/zinc/38/47/58/322384758.db2.gz HYIXWENEORXHHL-QMTHXVAHSA-N 0 3 292.814 3.056 20 30 CGEDHN C=C(C)CN1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000291844629 328535367 /nfs/dbraw/zinc/53/53/67/328535367.db2.gz OSYLUPZRSPZSBH-GOSISDBHSA-N 0 3 289.419 3.407 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000294287076 328548271 /nfs/dbraw/zinc/54/82/71/328548271.db2.gz MPEUWZCFGMXGRF-RYUDHWBXSA-N 0 3 259.324 3.176 20 30 CGEDHN C=CCN1CCC(NC(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC000255754143 327012803 /nfs/dbraw/zinc/01/28/03/327012803.db2.gz HDUIGHFFCFNMIN-PLNGDYQASA-N 0 3 298.430 3.165 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1C[C@H]1C ZINC000584199489 327063153 /nfs/dbraw/zinc/06/31/53/327063153.db2.gz JZVDVYWDLGHVSG-GDBMZVCRSA-N 0 3 261.413 3.498 20 30 CGEDHN C=CCOc1ccccc1CN1CCCO[C@H](C(C)C)C1 ZINC000560638412 327332721 /nfs/dbraw/zinc/33/27/21/327332721.db2.gz KSRLJJDQCXDMIG-SFHVURJKSA-N 0 3 289.419 3.498 20 30 CGEDHN C[C@]1(CNC[C@@H](C#N)CCC#N)CCCc2ccccc21 ZINC000561059826 327361939 /nfs/dbraw/zinc/36/19/39/327361939.db2.gz CDPMZHTWUKBACX-CRAIPNDOSA-N 0 3 281.403 3.314 20 30 CGEDHN CN(C)Cc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000155645746 327395662 /nfs/dbraw/zinc/39/56/62/327395662.db2.gz WHFGDVJZLPACAF-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN C[C@@]1(c2ccccc2)CC[C@@H](NCC2(C#N)CC2)C1 ZINC000569884615 327553696 /nfs/dbraw/zinc/55/36/96/327553696.db2.gz SWKXDVGDYYEOHB-HZPDHXFCSA-N 0 3 254.377 3.390 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000171725817 329079304 /nfs/dbraw/zinc/07/93/04/329079304.db2.gz LXQBNBYUPFOKHK-UHFFFAOYSA-N 0 3 294.398 3.220 20 30 CGEDHN Cc1ccnc([C@@H]2CCN(CCC(C)(C)C#N)C2)c1 ZINC000584358903 329103654 /nfs/dbraw/zinc/10/36/54/329103654.db2.gz KQEZOIPHKRSKGY-CQSZACIVSA-N 0 3 257.381 3.119 20 30 CGEDHN C=CCOc1cccc(CN2CCSC[C@@H]2C)c1 ZINC000179662827 329211055 /nfs/dbraw/zinc/21/10/55/329211055.db2.gz JDRDFRWHEWICBY-ZDUSSCGKSA-N 0 3 263.406 3.189 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@@H]1COc2ccccc21 ZINC000185553595 329326472 /nfs/dbraw/zinc/32/64/72/329326472.db2.gz OCAFNHQDKBJEBE-KDOFPFPSSA-N 0 3 295.357 3.332 20 30 CGEDHN CO[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000185848107 329333457 /nfs/dbraw/zinc/33/34/57/329333457.db2.gz YNQWOLUKTUPRFG-VBNZEHGJSA-N 0 3 276.355 3.185 20 30 CGEDHN N#CCSCCCN1Cc2ccccc2C2(CC2)C1 ZINC000186178985 329339069 /nfs/dbraw/zinc/33/90/69/329339069.db2.gz UJGRYPBSMAWTMZ-UHFFFAOYSA-N 0 3 272.417 3.181 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(Cl)cc1Cl ZINC000321440879 329356967 /nfs/dbraw/zinc/35/69/67/329356967.db2.gz MPNDZOISSOZUMD-LBPRGKRZSA-N 0 3 274.191 3.410 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1cc2ccccc2o1 ZINC000268520351 330065951 /nfs/dbraw/zinc/06/59/51/330065951.db2.gz ZYKMIIVWCNXOFW-AWEZNQCLSA-N 0 3 259.349 3.192 20 30 CGEDHN C=CCN1CCC(NC(=O)CCCC2CCCC2)CC1 ZINC000080079630 330090035 /nfs/dbraw/zinc/09/00/35/330090035.db2.gz XSFNNMJMMYSXPJ-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(Cl)cc1OC ZINC000421831553 330090913 /nfs/dbraw/zinc/09/09/13/330090913.db2.gz FFEXWFKBDFMKEA-RYUDHWBXSA-N 0 3 283.799 3.184 20 30 CGEDHN C=CCOc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1OC ZINC000527529706 330258333 /nfs/dbraw/zinc/25/83/33/330258333.db2.gz UXPFOZUHZZAENT-STQMWFEESA-N 0 3 261.365 3.243 20 30 CGEDHN C=CCn1cc(CNC2CCC3(CCCC3)CC2)nn1 ZINC000424167646 330309896 /nfs/dbraw/zinc/30/98/96/330309896.db2.gz DAELQKNNAUGADT-UHFFFAOYSA-N 0 3 274.412 3.057 20 30 CGEDHN N#CCCC[C@H](N)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000424178302 330318154 /nfs/dbraw/zinc/31/81/54/330318154.db2.gz WLHLEZTVOPRTDX-DLBZAZTESA-N 0 3 299.418 3.055 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(F)cc(C)cc1F ZINC000424190520 330322767 /nfs/dbraw/zinc/32/27/67/330322767.db2.gz MMYVGMHUPAPXKD-LRDDRELGSA-N 0 3 281.346 3.344 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000424194556 330324342 /nfs/dbraw/zinc/32/43/42/330324342.db2.gz BHMOIZRANUDMOX-JOYOIKCWSA-N 0 3 284.281 3.193 20 30 CGEDHN COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000424318124 330339775 /nfs/dbraw/zinc/33/97/75/330339775.db2.gz CNOSISQGJXWILD-GRYCIOLGSA-N 0 3 262.328 3.177 20 30 CGEDHN COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424320093 330339965 /nfs/dbraw/zinc/33/99/65/330339965.db2.gz FNIXZRFZMBPSOO-WDMOLILDSA-N 0 3 274.339 3.103 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(=O)OC)cc1 ZINC000424330137 330342065 /nfs/dbraw/zinc/34/20/65/330342065.db2.gz QIDLBRNFVCAKAR-APHBMKBZSA-N 0 3 286.375 3.206 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000424330439 330342182 /nfs/dbraw/zinc/34/21/82/330342182.db2.gz QQIRXGKGONGLJS-NWANDNLSSA-N 0 3 286.375 3.191 20 30 CGEDHN C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000424331260 330342304 /nfs/dbraw/zinc/34/23/04/330342304.db2.gz RXAZXMULHWUSLO-YHYOWMERSA-N 0 3 258.340 3.341 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000090919481 330397202 /nfs/dbraw/zinc/39/72/02/330397202.db2.gz MPCSECYWAKHBNA-AWEZNQCLSA-N 0 3 250.345 3.423 20 30 CGEDHN CC(C)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000121261806 330398786 /nfs/dbraw/zinc/39/87/86/330398786.db2.gz XACSTWJTFVYXFB-UHFFFAOYSA-N 0 3 255.283 3.303 20 30 CGEDHN C[C@H]1Cc2ccc(F)cc2[C@H]1NCC1(CC#N)CC1 ZINC000430735141 330571750 /nfs/dbraw/zinc/57/17/50/330571750.db2.gz PFBBBTXFRQFESQ-NHYWBVRUSA-N 0 3 258.340 3.342 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000442780892 330782501 /nfs/dbraw/zinc/78/25/01/330782501.db2.gz HIQMJFCKAFHQBI-BSWAZPDLSA-N 0 3 270.376 3.189 20 30 CGEDHN Cc1c(CN[C@H]2CCC[C@@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000446796074 330854448 /nfs/dbraw/zinc/85/44/48/330854448.db2.gz KDCKGFPLZSEFIA-OCCSQVGLSA-N 0 3 273.336 3.075 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCc3c(F)cccc32)C1 ZINC000449353200 330917954 /nfs/dbraw/zinc/91/79/54/330917954.db2.gz YWYOEEKPQFERCB-WQGACYEGSA-N 0 3 258.340 3.485 20 30 CGEDHN C=C(C)CCNCc1c(Cl)cccc1N1CCOCC1 ZINC000449474371 330928724 /nfs/dbraw/zinc/92/87/24/330928724.db2.gz JJPWCISEAROBHC-UHFFFAOYSA-N 0 3 294.826 3.232 20 30 CGEDHN C=CCC1(C(=O)NC[C@H](C)N2CCC(C)CC2)CCCC1 ZINC000449810549 330950951 /nfs/dbraw/zinc/95/09/51/330950951.db2.gz IALRDFVJYOSODM-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000451606720 331036407 /nfs/dbraw/zinc/03/64/07/331036407.db2.gz NPNHTELRJAIATC-GDLCADMTSA-N 0 3 283.318 3.282 20 30 CGEDHN N#CCc1ccc(CN2CCOCC23CCCCC3)cc1 ZINC000451810891 331043289 /nfs/dbraw/zinc/04/32/89/331043289.db2.gz DOTCGLOPOXGVFR-UHFFFAOYSA-N 0 3 284.403 3.288 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000451834125 331044207 /nfs/dbraw/zinc/04/42/07/331044207.db2.gz ADSUKGVKPHUINK-SJORKVTESA-N 0 3 287.378 3.067 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1ccccc1OC ZINC000163520756 331050149 /nfs/dbraw/zinc/05/01/49/331050149.db2.gz ZRVYFFKESSFAFC-OAHLLOKOSA-N 0 3 263.381 3.329 20 30 CGEDHN C[C@H]1CCC(C)(C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000452014940 331050532 /nfs/dbraw/zinc/05/05/32/331050532.db2.gz UVCWFDBIEDNCMB-HNNXBMFYSA-N 0 3 299.418 3.196 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000453334243 331118061 /nfs/dbraw/zinc/11/80/61/331118061.db2.gz DPFMLGUGUIOQGT-GLQYFDAESA-N 0 3 279.355 3.219 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000453338548 331118844 /nfs/dbraw/zinc/11/88/44/331118844.db2.gz GORJVPYFISIDJF-HONMWMINSA-N 0 3 296.798 3.128 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453367471 331123402 /nfs/dbraw/zinc/12/34/02/331123402.db2.gz TZSFPRPGUYLRDT-XKQJLSEDSA-N 0 3 289.423 3.382 20 30 CGEDHN C=C(CC)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000456810128 331204692 /nfs/dbraw/zinc/20/46/92/331204692.db2.gz DRWBCKFVJHHBDD-UHFFFAOYSA-N 0 3 286.419 3.369 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)CCCCC(C)C)CC1 ZINC000457541522 331226307 /nfs/dbraw/zinc/22/63/07/331226307.db2.gz KQHJXZSFFHCXJV-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CC(C)(C)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458259594 331246516 /nfs/dbraw/zinc/24/65/16/331246516.db2.gz HDVCCBBCAQMTLI-UHFFFAOYSA-N 0 3 260.381 3.207 20 30 CGEDHN Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1CN(C)C ZINC000458329354 331248978 /nfs/dbraw/zinc/24/89/78/331248978.db2.gz XFWBQNSCZUYYAX-UHFFFAOYSA-N 0 3 285.391 3.079 20 30 CGEDHN C=CCC1(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)CCCCC1 ZINC000458440739 331251401 /nfs/dbraw/zinc/25/14/01/331251401.db2.gz MYJQVNUKDXFEHB-CABCVRRESA-N 0 3 293.455 3.047 20 30 CGEDHN C=C[C@H](C)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459433270 331281095 /nfs/dbraw/zinc/28/10/95/331281095.db2.gz BNDABDDBODAREJ-VIFPVBQESA-N 0 3 255.745 3.108 20 30 CGEDHN C=C(C)COCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459437156 331281255 /nfs/dbraw/zinc/28/12/55/331281255.db2.gz GSXZKANDQWOCAK-UHFFFAOYSA-N 0 3 299.798 3.127 20 30 CGEDHN C=CC[C@@H](CO)CNCc1c(F)cc(C)cc1Cl ZINC000459455976 331282147 /nfs/dbraw/zinc/28/21/47/331282147.db2.gz DJEUKMOOFUXMSW-LLVKDONJSA-N 0 3 271.763 3.062 20 30 CGEDHN CCN(CC)c1ncc(CNCC(C)(C)CC#N)s1 ZINC000459685422 331294474 /nfs/dbraw/zinc/29/44/74/331294474.db2.gz FHESKSVPZJHFCA-UHFFFAOYSA-N 0 3 280.441 3.019 20 30 CGEDHN CO[C@@H]1C[C@@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC000459750726 331298335 /nfs/dbraw/zinc/29/83/35/331298335.db2.gz HMBPTZMEKJGJGU-HZPDHXFCSA-N 0 3 289.806 3.239 20 30 CGEDHN CO[C@H]1C[C@H](NCC#Cc2cccc(Cl)c2)C12CCC2 ZINC000459768643 331299536 /nfs/dbraw/zinc/29/95/36/331299536.db2.gz QLXKGYPIFZDMNU-HOTGVXAUSA-N 0 3 289.806 3.239 20 30 CGEDHN CC#CCCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000462310813 331319038 /nfs/dbraw/zinc/31/90/38/331319038.db2.gz HKOJGYYPTOVNCG-MRXNPFEDSA-N 0 3 259.418 3.498 20 30 CGEDHN CC#CCCN(C)CCOc1cccc(Cl)c1 ZINC000462315842 331319192 /nfs/dbraw/zinc/31/91/92/331319192.db2.gz MZXWKFQXIJSDBM-UHFFFAOYSA-N 0 3 251.757 3.064 20 30 CGEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)OC ZINC000463426439 331347540 /nfs/dbraw/zinc/34/75/40/331347540.db2.gz ALCRVMQFUKAIBX-ZDUSSCGKSA-N 0 3 299.336 3.414 20 30 CGEDHN CC#CCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000482167270 331826411 /nfs/dbraw/zinc/82/64/11/331826411.db2.gz WRELNEMDFQNBAD-UHFFFAOYSA-N 0 3 284.315 3.358 20 30 CGEDHN C=CCOc1ccc(CN2CCN(C)[C@H](C(C)C)C2)cc1 ZINC000488556726 332017037 /nfs/dbraw/zinc/01/70/37/332017037.db2.gz JYTVUFGRXIJMGB-SFHVURJKSA-N 0 3 288.435 3.023 20 30 CGEDHN Cc1cccc([C@H](NC(=O)C(C)C#N)C(C)(C)C)c1 ZINC000488872626 332030725 /nfs/dbraw/zinc/03/07/25/332030725.db2.gz SGMKQBRUNORPRF-OCCSQVGLSA-N 0 3 258.365 3.358 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1c(C)cccc1C ZINC000489488072 332055503 /nfs/dbraw/zinc/05/55/03/332055503.db2.gz VYZAJRSTVNVRQX-IAGOWNOFSA-N 0 3 289.419 3.084 20 30 CGEDHN C#C[C@@H](N[C@@H](C)Cc1ccn(C(C)C)n1)C(C)(C)C ZINC000491709908 332302054 /nfs/dbraw/zinc/30/20/54/332302054.db2.gz QDWHOYKTSCQPDF-DZGCQCFKSA-N 0 3 261.413 3.033 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000492695315 332410042 /nfs/dbraw/zinc/41/00/42/332410042.db2.gz HPMWBCFBLZXHBC-ZDUSSCGKSA-N 0 3 295.427 3.010 20 30 CGEDHN N#CCCCN[C@@H]1CCc2sc(Br)cc21 ZINC000294474026 334896315 /nfs/dbraw/zinc/89/63/15/334896315.db2.gz WUVNHLSGSOHXIQ-SECBINFHSA-N 0 3 285.210 3.391 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NC(CC)(CC)CC)CC1 ZINC000174770359 333007170 /nfs/dbraw/zinc/00/71/70/333007170.db2.gz WGTGYFPUSFIGBY-UHFFFAOYSA-N 0 3 295.471 3.295 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000185245289 333137515 /nfs/dbraw/zinc/13/75/15/333137515.db2.gz GDYRHIGBTYLBOA-HNNXBMFYSA-N 0 3 280.456 3.169 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc3cccnc32)C1 ZINC000185882672 333151033 /nfs/dbraw/zinc/15/10/33/333151033.db2.gz FAVQNBJMWRLWCB-CZUORRHYSA-N 0 3 265.360 3.407 20 30 CGEDHN C[C@@H](CCO)N(CC#Cc1ccccc1)Cc1ccccc1 ZINC000192145006 333230904 /nfs/dbraw/zinc/23/09/04/333230904.db2.gz CQHZKZYBEKCDOX-SFHVURJKSA-N 0 3 293.410 3.311 20 30 CGEDHN C=CCCCCCN1CCCN(c2nccs2)CC1 ZINC000193317976 333247882 /nfs/dbraw/zinc/24/78/82/333247882.db2.gz MMTSWUNUFZLEGK-UHFFFAOYSA-N 0 3 279.453 3.402 20 30 CGEDHN C=CCN(CCOCC(F)(F)F)Cc1ccccc1 ZINC000194307009 333268732 /nfs/dbraw/zinc/26/87/32/333268732.db2.gz YOWVEVOVMOKEEF-UHFFFAOYSA-N 0 3 273.298 3.254 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](c2cccc(C)c2)C(C)C)C1=O ZINC000528771137 333456736 /nfs/dbraw/zinc/45/67/36/333456736.db2.gz RLVAQTTUFFXFTM-IAGOWNOFSA-N 0 3 286.419 3.069 20 30 CGEDHN C[C@@H](CNCc1cccc(C#N)c1)Oc1ccccc1F ZINC000174602437 335160081 /nfs/dbraw/zinc/16/00/81/335160081.db2.gz MPZNTLIXRICNJA-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN C=CCC[C@H](C)N[C@H](COC)c1ccc(F)cc1 ZINC000544575018 333936785 /nfs/dbraw/zinc/93/67/85/333936785.db2.gz PJBWZSBJINYMST-SWLSCSKDSA-N 0 3 251.345 3.458 20 30 CGEDHN CC1(C)C[C@@H](NCC#Cc2ccc(F)cc2)C(C)(C)O1 ZINC000132497019 333981665 /nfs/dbraw/zinc/98/16/65/333981665.db2.gz GYPXPPZYEVBOGD-OAHLLOKOSA-N 0 3 275.367 3.113 20 30 CGEDHN Cc1cccnc1[C@@H]1CCC[C@H](NC[C@H](C)C#N)C1 ZINC000545984817 334010418 /nfs/dbraw/zinc/01/04/18/334010418.db2.gz XCFNMDLNBREFON-YUELXQCFSA-N 0 3 257.381 3.166 20 30 CGEDHN Cc1cccnc1[C@@H]1CCC[C@@H](NCC2(C#N)CC2)C1 ZINC000546699239 334046959 /nfs/dbraw/zinc/04/69/59/334046959.db2.gz XWPFMORQXWFPHG-HUUCEWRRSA-N 0 3 269.392 3.310 20 30 CGEDHN C=C(C)CN(CCCO)Cc1cccc(Cl)c1 ZINC000134279432 334086841 /nfs/dbraw/zinc/08/68/41/334086841.db2.gz LQGTWPPLAMIVME-UHFFFAOYSA-N 0 3 253.773 3.101 20 30 CGEDHN Cc1ccc(CNCC2(CC#N)CC2)c(-c2ccnn2C)c1 ZINC000549242308 334188628 /nfs/dbraw/zinc/18/86/28/334188628.db2.gz MGNFDGGSFPIIBC-UHFFFAOYSA-N 0 3 294.402 3.179 20 30 CGEDHN C=CCOCCN(C)CCc1ccc(Br)cc1 ZINC000549426782 334193709 /nfs/dbraw/zinc/19/37/09/334193709.db2.gz YJTCUFMAJATPII-UHFFFAOYSA-N 0 3 298.224 3.126 20 30 CGEDHN C=CCOCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000549860977 334206734 /nfs/dbraw/zinc/20/67/34/334206734.db2.gz UTQSXEPKUOALKK-XJKSGUPXSA-N 0 3 263.356 3.411 20 30 CGEDHN CC(C)(C)c1n[nH]cc1CN1CCC(CCC#N)CC1 ZINC000565599571 334578142 /nfs/dbraw/zinc/57/81/42/334578142.db2.gz RNHOBXNNFWCDKO-UHFFFAOYSA-N 0 3 274.412 3.223 20 30 CGEDHN Cc1ncc(CN[C@@H](CCCC#N)c2ccccc2)n1C ZINC000569020821 334851725 /nfs/dbraw/zinc/85/17/25/334851725.db2.gz HJYGCZIRZLSONF-KRWDZBQOSA-N 0 3 282.391 3.253 20 30 CGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(O)c1 ZINC000343749192 335218596 /nfs/dbraw/zinc/21/85/96/335218596.db2.gz JCAVWIBLHZYXGT-ZDUSSCGKSA-N 0 3 266.344 3.309 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)s1)N1CCc2ccccc21 ZINC000176944833 335342492 /nfs/dbraw/zinc/34/24/92/335342492.db2.gz KTAFUOFBBCAMDJ-CYBMUJFWSA-N 0 3 297.427 3.161 20 30 CGEDHN Cc1ccccc1OCCNCc1cc(C#N)cs1 ZINC000177688792 335379078 /nfs/dbraw/zinc/37/90/78/335379078.db2.gz PNGOCYJGECYRBH-UHFFFAOYSA-N 0 3 272.373 3.097 20 30 CGEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)c1cccc(C)c1 ZINC000179588753 335502534 /nfs/dbraw/zinc/50/25/34/335502534.db2.gz JXARRYYGZUQPAI-UHFFFAOYSA-N 0 3 288.435 3.244 20 30 CGEDHN C=C(C)CN[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000180033184 335542687 /nfs/dbraw/zinc/54/26/87/335542687.db2.gz KOVUINAMOGBDDZ-RISCZKNCSA-N 0 3 274.364 3.023 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000180716690 335619563 /nfs/dbraw/zinc/61/95/63/335619563.db2.gz YJRRULUXXYGVTI-OAHLLOKOSA-N 0 3 293.455 3.071 20 30 CGEDHN C[C@H](NCc1ccc(CO)c(F)c1)c1cccc(C#N)c1 ZINC000181566328 335771121 /nfs/dbraw/zinc/77/11/21/335771121.db2.gz MNPUEHIFGKGFRD-LBPRGKRZSA-N 0 3 284.334 3.040 20 30 CGEDHN N#CCC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000579993469 335945271 /nfs/dbraw/zinc/94/52/71/335945271.db2.gz WIQSLDJECKKWCM-UHFFFAOYSA-N 0 3 298.415 3.331 20 30 CGEDHN CC(C)(C)OCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194957249 336041291 /nfs/dbraw/zinc/04/12/91/336041291.db2.gz USDHYORSFAAKRC-UHFFFAOYSA-N 0 3 272.392 3.338 20 30 CGEDHN C[C@H](NCc1ccc(C#N)o1)[C@@H]1CC2CCC1CC2 ZINC000381594986 336069253 /nfs/dbraw/zinc/06/92/53/336069253.db2.gz FFYYTCSNLRGCIR-ITDKRANNSA-N 0 3 258.365 3.456 20 30 CGEDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000581421062 336074474 /nfs/dbraw/zinc/07/44/74/336074474.db2.gz JLFSRABOHGGSAU-KBPBESRZSA-N 0 3 299.418 3.396 20 30 CGEDHN C=CCCCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000581707667 336132389 /nfs/dbraw/zinc/13/23/89/336132389.db2.gz UDXXKUJDRJUHNC-UHFFFAOYSA-N 0 3 272.392 3.106 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000335986774 534283277 /nfs/dbraw/zinc/28/32/77/534283277.db2.gz NYTMLFIBHGNNNB-MNOVXSKESA-N 0 3 270.307 3.316 20 30 CGEDHN CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271983570 517464549 /nfs/dbraw/zinc/46/45/49/517464549.db2.gz XKBFKRMEWNJUEH-BLLLJJGKSA-N 0 3 292.398 3.391 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000184352971 518923689 /nfs/dbraw/zinc/92/36/89/518923689.db2.gz BLBNUSKNRHPFGA-NEPJUHHUSA-N 0 3 288.416 3.243 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000186717633 519119291 /nfs/dbraw/zinc/11/92/91/519119291.db2.gz JLXNCKRIRQGNPA-NWDGAFQWSA-N 0 3 285.334 3.184 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cccc3cccnc32)C1 ZINC000336625984 534754438 /nfs/dbraw/zinc/75/44/38/534754438.db2.gz VWZSZPLXSZSRPY-SWLSCSKDSA-N 0 3 251.333 3.017 20 30 CGEDHN Cc1cccc([C@H]2CCCN2C(=O)C(C)C#N)c1C ZINC000336577782 534762487 /nfs/dbraw/zinc/76/24/87/534762487.db2.gz ZKMNWEOCYVIBCU-SWLSCSKDSA-N 0 3 256.349 3.127 20 30 CGEDHN N#Cc1ccc(NCCN2CCCC2)c(C(F)(F)F)c1 ZINC000359512227 534793447 /nfs/dbraw/zinc/79/34/47/534793447.db2.gz YUBVOJPKHSPYGY-UHFFFAOYSA-N 0 3 283.297 3.085 20 30 CGEDHN CSCCCCCCNCc1ccc(C#N)o1 ZINC000184179071 525416338 /nfs/dbraw/zinc/41/63/38/525416338.db2.gz AUMWSNQPVHYMEC-UHFFFAOYSA-N 0 3 252.383 3.164 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](C)CC ZINC000352799825 526559570 /nfs/dbraw/zinc/55/95/70/526559570.db2.gz MXKFYDOBAMJUOQ-CYBMUJFWSA-N 0 3 251.370 3.196 20 30 CGEDHN N#Cc1ccc(Cl)cc1OCCN1CCCCC1 ZINC000062790236 526636420 /nfs/dbraw/zinc/63/64/20/526636420.db2.gz GHMPXSYQUXANDU-UHFFFAOYSA-N 0 3 264.756 3.076 20 30 CGEDHN C=CCOc1cccc(CN(C)C[C@H]2CCCCO2)c1 ZINC000352675885 526896882 /nfs/dbraw/zinc/89/68/82/526896882.db2.gz GCMSYBVOPGWMNG-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C)CC[C@@H]2C)CCCCC1 ZINC000334749038 527043378 /nfs/dbraw/zinc/04/33/78/527043378.db2.gz GVQODOKDIPDBEC-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCC1(C(=O)NCc2ccccc2CN(C)C)CC1 ZINC000353679368 527091806 /nfs/dbraw/zinc/09/18/06/527091806.db2.gz WEWTVWRELZVUNT-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000344309025 527189007 /nfs/dbraw/zinc/18/90/07/527189007.db2.gz UNFLPDWLUSLJGF-OLZOCXBDSA-N 0 3 289.375 3.277 20 30 CGEDHN C=C[C@@H](CO)N[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000353576068 527444508 /nfs/dbraw/zinc/44/45/08/527444508.db2.gz MTMFTKWZUNQCHG-ZANVPECISA-N 0 3 272.175 3.117 20 30 CGEDHN C=CCC[C@H](NCCOC(F)(F)F)c1ccco1 ZINC000353685995 527483481 /nfs/dbraw/zinc/48/34/81/527483481.db2.gz WHCMLOHYZXSUBI-JTQLQIEISA-N 0 3 263.259 3.413 20 30 CGEDHN C=C[C@H](CO)N[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000353576066 527595452 /nfs/dbraw/zinc/59/54/52/527595452.db2.gz MTMFTKWZUNQCHG-RNCFNFMXSA-N 0 3 272.175 3.117 20 30 CGEDHN CCCCOc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354468659 528669055 /nfs/dbraw/zinc/66/90/55/528669055.db2.gz PCUWYMMKOWRUPJ-HNNXBMFYSA-N 0 3 295.342 3.146 20 30 CGEDHN CCC1(CC)[C@H](NCc2cccc(C#N)c2F)C[C@@H]1OC ZINC000358998289 529109184 /nfs/dbraw/zinc/10/91/84/529109184.db2.gz HHTAEBWFPXTWIT-CABCVRRESA-N 0 3 290.382 3.381 20 30 CGEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Cl)[C@@H]2CCO[C@H]21 ZINC000451460818 535073394 /nfs/dbraw/zinc/07/33/94/535073394.db2.gz AESSJKKXOHGCAO-NWANDNLSSA-N 0 3 290.794 3.115 20 30 CGEDHN CCCO[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000192015620 535240822 /nfs/dbraw/zinc/24/08/22/535240822.db2.gz MQLPIDZXPAGGSY-SFHVURJKSA-N 0 3 271.404 3.319 20 30 CGEDHN C#Cc1cccc(NC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000730897993 572383169 /nfs/dbraw/zinc/38/31/69/572383169.db2.gz UHFUTJQYGMWGIA-GASCZTMLSA-N 0 3 299.418 3.052 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CC=CC3)nc21 ZINC000741121784 572481643 /nfs/dbraw/zinc/48/16/43/572481643.db2.gz JFXLZZFNSUOGOB-LBPRGKRZSA-N 0 3 265.316 3.014 20 30 CGEDHN COc1ccc(CNC2(c3ccccc3)CC2)cc1C#N ZINC000742369953 572568413 /nfs/dbraw/zinc/56/84/13/572568413.db2.gz LGTNLAOZKNZICS-UHFFFAOYSA-N 0 3 278.355 3.346 20 30 CGEDHN COc1ccccc1/C=C/CNCc1ccc(C#N)cc1 ZINC000726606877 572589191 /nfs/dbraw/zinc/58/91/91/572589191.db2.gz FQDSMAKYSRWWFF-GQCTYLIASA-N 0 3 278.355 3.370 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCOC2CCC2)c([O-])c1 ZINC000743044217 572635717 /nfs/dbraw/zinc/63/57/17/572635717.db2.gz HAXZQXCAKHGBRK-QGOAFFKASA-N 0 3 290.407 3.226 20 30 CGEDHN C=CCCCN(CC)Cc1cccc(OC)c1OC ZINC000735490111 572726011 /nfs/dbraw/zinc/72/60/11/572726011.db2.gz FNIBQMOBVFUQAW-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H](C)C3CC3)nc21 ZINC000735788845 572740071 /nfs/dbraw/zinc/74/00/71/572740071.db2.gz HYSTYAJWAWNJDG-YPMHNXCESA-N 0 3 281.359 3.484 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@@H](C)C3CC3)[nH]c21 ZINC000735788845 572740075 /nfs/dbraw/zinc/74/00/75/572740075.db2.gz HYSTYAJWAWNJDG-YPMHNXCESA-N 0 3 281.359 3.484 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3C=CCC3)nc21 ZINC000735790564 572740694 /nfs/dbraw/zinc/74/06/94/572740694.db2.gz NIDKPSIKQJHFTO-CHWSQXEVSA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@@H]3C=CCC3)[nH]c21 ZINC000735790564 572740697 /nfs/dbraw/zinc/74/06/97/572740697.db2.gz NIDKPSIKQJHFTO-CHWSQXEVSA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC(C)(F)F)nc21 ZINC000735792612 572742257 /nfs/dbraw/zinc/74/22/57/572742257.db2.gz NDKUUJNQEOZKGY-SNVBAGLBSA-N 0 3 291.301 3.483 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC(C)(F)F)[nH]c21 ZINC000735792612 572742261 /nfs/dbraw/zinc/74/22/61/572742261.db2.gz NDKUUJNQEOZKGY-SNVBAGLBSA-N 0 3 291.301 3.483 20 30 CGEDHN C#CCN(CCc1nc2ccccc2n1C)C1CCCCC1 ZINC000736308619 572780742 /nfs/dbraw/zinc/78/07/42/572780742.db2.gz LFOJJGWDABQEMF-UHFFFAOYSA-N 0 3 295.430 3.384 20 30 CGEDHN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(C)C#N ZINC000736669179 572804172 /nfs/dbraw/zinc/80/41/72/572804172.db2.gz YIPGQRDABLPXBX-JTQLQIEISA-N 0 3 284.281 3.214 20 30 CGEDHN c1cncc(CON=C2CCCC[C@@H]2N2CCCCC2)c1 ZINC000746586342 572882651 /nfs/dbraw/zinc/88/26/51/572882651.db2.gz WMJWYPDIRLJJFZ-KRWDZBQOSA-N 0 3 287.407 3.383 20 30 CGEDHN CCCCCCCC(=O)N1CCC12CCN(C)CC2 ZINC000747978604 572957290 /nfs/dbraw/zinc/95/72/90/572957290.db2.gz QSLYYNJEHSMZTG-UHFFFAOYSA-N 0 3 266.429 3.044 20 30 CGEDHN c1ccc(N=NC2CCCC[C@@H]2N2CCCCC2)nc1 ZINC000748782860 572983871 /nfs/dbraw/zinc/98/38/71/572983871.db2.gz YTGPZCUDEAXVRQ-HNNXBMFYSA-N 0 3 272.396 3.278 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)C[C@@H]1C ZINC000947896016 613236338 /nfs/dbraw/zinc/23/63/38/613236338.db2.gz UHIADZFIXVBVNC-MAUKXSAKSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000970772526 613301754 /nfs/dbraw/zinc/30/17/54/613301754.db2.gz XDDLYSFTTMQBMI-JYJNAYRXSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841311 613324304 /nfs/dbraw/zinc/32/43/04/613324304.db2.gz YWSHTSBBPFYXPD-WBVHZDCISA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578251 613334335 /nfs/dbraw/zinc/33/43/35/613334335.db2.gz CPDJTAKLSHXRJK-DOTOQJQBSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C1CCC(C(=O)N2CCCN(CC[C@@H](C)F)CC2)CC1 ZINC000981886173 613404844 /nfs/dbraw/zinc/40/48/44/613404844.db2.gz YUQLXKVHIPGVDS-OAHLLOKOSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972762765 613556968 /nfs/dbraw/zinc/55/69/68/613556968.db2.gz HRDBRCYGMVSWSJ-ZDUSSCGKSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2coc3ccccc23)[C@H](C)C1 ZINC000945942699 613760084 /nfs/dbraw/zinc/76/00/84/613760084.db2.gz KIUOYXVVVZSCFI-CZUORRHYSA-N 0 3 298.386 3.059 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000940658988 613760629 /nfs/dbraw/zinc/76/06/29/613760629.db2.gz UGHLALSDNKNLQC-CQSZACIVSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000941145097 613779307 /nfs/dbraw/zinc/77/93/07/613779307.db2.gz KRRDAESCSBSLSU-AWEZNQCLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC001020843519 617798398 /nfs/dbraw/zinc/79/83/98/617798398.db2.gz IVFBQJQKMSEUFJ-TUVASFSCSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001020504693 617680077 /nfs/dbraw/zinc/68/00/77/617680077.db2.gz SDKSTMTTYVIVQJ-HAQNSBGRSA-N 0 3 296.798 3.006 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000890989950 617927689 /nfs/dbraw/zinc/92/76/89/617927689.db2.gz LQENAEFPFAIATC-UHFFFAOYSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCC1(N[C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000933298216 618194425 /nfs/dbraw/zinc/19/44/25/618194425.db2.gz DMLAOPKCBWQXGG-GFCCVEGCSA-N 0 3 258.321 3.191 20 30 CGEDHN CCON=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841615579 618217309 /nfs/dbraw/zinc/21/73/09/618217309.db2.gz CFTQPNHCWIYCAG-MRXNPFEDSA-N 0 3 258.365 3.378 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001022406872 618353505 /nfs/dbraw/zinc/35/35/05/618353505.db2.gz DIBQHYQWTPWFJT-GASCZTMLSA-N 0 3 298.858 3.336 20 30 CGEDHN C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc([O-])cc(F)c1 ZINC000926512101 618718216 /nfs/dbraw/zinc/71/82/16/618718216.db2.gz JZRAUJXPXZBRAO-SUNKGSAMSA-N 0 3 262.328 3.264 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@]2(C)CCCO2)c([O-])c1 ZINC000255776907 618791279 /nfs/dbraw/zinc/79/12/79/618791279.db2.gz RTRACPAUNZQRLH-ZCWPUFOUSA-N 0 3 290.407 3.226 20 30 CGEDHN C=C(Br)CN[C@@H](C)Cc1cccc(F)c1 ZINC000162255222 618817544 /nfs/dbraw/zinc/81/75/44/618817544.db2.gz MGULWUPGBJZQKV-JTQLQIEISA-N 0 3 272.161 3.255 20 30 CGEDHN CC1(C)CO[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000892553276 618861444 /nfs/dbraw/zinc/86/14/44/618861444.db2.gz LGFVOKLHSZJPMS-NWDGAFQWSA-N 0 3 298.342 3.209 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCCOC2)c([O-])c1 ZINC000255912222 618879288 /nfs/dbraw/zinc/87/92/88/618879288.db2.gz NQGSXBZRQHIGCL-HIXWQLQUSA-N 0 3 290.407 3.084 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000775573738 619077749 /nfs/dbraw/zinc/07/77/49/619077749.db2.gz JJGAJHSKSUSTTJ-XIRDDKMYSA-N 0 3 257.377 3.135 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)CC2(CCC2)O1 ZINC000930824320 619079778 /nfs/dbraw/zinc/07/97/78/619079778.db2.gz DDNVLSQFTVOFRY-OAHLLOKOSA-N 0 3 276.424 3.494 20 30 CGEDHN N#CCCCN1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932188476 619308378 /nfs/dbraw/zinc/30/83/78/619308378.db2.gz LHPMMSXPIWFLKW-GFCCVEGCSA-N 0 3 275.421 3.115 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCOC2(CCCCC2)C1 ZINC000894469590 619546948 /nfs/dbraw/zinc/54/69/48/619546948.db2.gz NHHZFRUCSQDBHH-KBPBESRZSA-N 0 3 250.386 3.150 20 30 CGEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cs1 ZINC000894700829 619607397 /nfs/dbraw/zinc/60/73/97/619607397.db2.gz VPKJGQVYYSMKAA-BZUAXINKSA-N 0 3 290.432 3.135 20 30 CGEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cs1 ZINC000894700831 619607620 /nfs/dbraw/zinc/60/76/20/619607620.db2.gz VPKJGQVYYSMKAA-XHSDSOJGSA-N 0 3 290.432 3.135 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@H](C)c1nnc(C)[nH]1 ZINC000894774538 619627951 /nfs/dbraw/zinc/62/79/51/619627951.db2.gz UOXZLIBYTUHHDQ-VXGBXAGGSA-N 0 3 250.390 3.289 20 30 CGEDHN C#CCN(CC)CCOc1ccc2ccccc2c1 ZINC000749155689 619716696 /nfs/dbraw/zinc/71/66/96/619716696.db2.gz YJXLIJNKCFCWQF-UHFFFAOYSA-N 0 3 253.345 3.174 20 30 CGEDHN C[C@@H]1CC2(CN1Cc1csc(C#N)c1)CCOCC2 ZINC000895120453 619739256 /nfs/dbraw/zinc/73/92/56/619739256.db2.gz DFRYYNDXMXKMNP-GFCCVEGCSA-N 0 3 276.405 3.011 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccnn2C2CCC2)C1 ZINC000895337742 619807036 /nfs/dbraw/zinc/80/70/36/619807036.db2.gz KSZZUPRBMHNMAE-CQSZACIVSA-N 0 3 259.397 3.396 20 30 CGEDHN C#CCC1(O)CCN(Cc2ccc(C(C)(C)C)s2)CC1 ZINC000895670282 619869555 /nfs/dbraw/zinc/86/95/55/619869555.db2.gz OOFHCLZCLNCRAK-UHFFFAOYSA-N 0 3 291.460 3.396 20 30 CGEDHN N#Cc1ccc(C2CCN(CC3(F)CC3)CC2)cc1 ZINC000897588840 620405072 /nfs/dbraw/zinc/40/50/72/620405072.db2.gz ODZHVLPRUYAOLA-UHFFFAOYSA-N 0 3 258.340 3.240 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000897746619 620429395 /nfs/dbraw/zinc/42/93/95/620429395.db2.gz QDLXHFLOYPWRIV-YHWZYXNKSA-N 0 3 293.823 3.123 20 30 CGEDHN CC1(C)CCC[C@@H](CNCc2csc(C#N)c2)O1 ZINC000898046308 620463531 /nfs/dbraw/zinc/46/35/31/620463531.db2.gz FLISXKVLKJOAAT-LBPRGKRZSA-N 0 3 264.394 3.057 20 30 CGEDHN C=CCCn1cc(CNCCC2CCC(F)(F)CC2)nn1 ZINC000898032935 620471023 /nfs/dbraw/zinc/47/10/23/620471023.db2.gz ZGJFYUILHDEPBT-UHFFFAOYSA-N 0 3 298.381 3.159 20 30 CGEDHN COCCOc1ccccc1CN[C@H](C)CC(C)(C)C#N ZINC000924735839 620599145 /nfs/dbraw/zinc/59/91/45/620599145.db2.gz WPPIQPGVHSQDPU-CQSZACIVSA-N 0 3 290.407 3.130 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000899076575 620619859 /nfs/dbraw/zinc/61/98/59/620619859.db2.gz QMCKRZUDPZICBW-RRFJBIMHSA-N 0 3 292.423 3.427 20 30 CGEDHN CC[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1 ZINC000902762133 621430331 /nfs/dbraw/zinc/43/03/31/621430331.db2.gz GWYCDPMHIILMON-CEXWTWQISA-N 0 3 292.382 3.257 20 30 CGEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)Oc1ccccc1 ZINC000902866622 621473327 /nfs/dbraw/zinc/47/33/27/621473327.db2.gz KBNGWXCSPQQHSF-ZIAGYGMSSA-N 0 3 281.359 3.071 20 30 CGEDHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1cc(C#N)ccn1 ZINC000902882708 621483382 /nfs/dbraw/zinc/48/33/82/621483382.db2.gz VRJHPKRHNYIGJR-ZYHUDNBSSA-N 0 3 265.307 3.182 20 30 CGEDHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1cc(C#N)ccn1 ZINC000902882707 621483955 /nfs/dbraw/zinc/48/39/55/621483955.db2.gz VRJHPKRHNYIGJR-PWSUYJOCSA-N 0 3 265.307 3.182 20 30 CGEDHN CC(C)(C#N)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903099955 621573471 /nfs/dbraw/zinc/57/34/71/621573471.db2.gz DLIWYCUREAIXNL-AWEZNQCLSA-N 0 3 287.363 3.055 20 30 CGEDHN CC[C@H](NCc1nc(C#N)cs1)C(C)(C)CC ZINC000903265163 621639404 /nfs/dbraw/zinc/63/94/04/621639404.db2.gz YDDUSWUQFOXTBK-NSHDSACASA-N 0 3 251.399 3.319 20 30 CGEDHN C[C@H](NCC1(C2(O)CCC2)CC1)c1ccc(C#N)cc1F ZINC000903257239 621644125 /nfs/dbraw/zinc/64/41/25/621644125.db2.gz DVCWHEZMWXZASS-LBPRGKRZSA-N 0 3 288.366 3.043 20 30 CGEDHN COC(C)(C)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000903332076 621706480 /nfs/dbraw/zinc/70/64/80/621706480.db2.gz PPXCSQKPNPUPAR-QWRGUYRKSA-N 0 3 264.344 3.161 20 30 CGEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2ccsc2C#N)cc1 ZINC000904893947 622021527 /nfs/dbraw/zinc/02/15/27/622021527.db2.gz FSBUJEAAZJRZHQ-MEDUHNTESA-N 0 3 284.384 3.336 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(CC)C[C@@H]2C)CCCC1 ZINC000910268715 622470236 /nfs/dbraw/zinc/47/02/36/622470236.db2.gz BQYFVOYXXAEDRW-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000912067260 622591788 /nfs/dbraw/zinc/59/17/88/622591788.db2.gz DTLZDDMPRTXZPJ-NSHDSACASA-N 0 3 286.828 3.044 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccccc1F)C(C)C ZINC000912405460 622647005 /nfs/dbraw/zinc/64/70/05/622647005.db2.gz DAXUCLQVNKKZLQ-MRXNPFEDSA-N 0 3 292.398 3.246 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(F)c(Br)c1 ZINC000229900077 623176216 /nfs/dbraw/zinc/17/62/16/623176216.db2.gz PAQWJSJRQFTOIP-JTQLQIEISA-N 0 3 270.145 3.090 20 30 CGEDHN C[C@@H]1CC[C@H](CCC(=O)C(C#N)c2nc3ccccc3o2)O1 ZINC000174013355 623352245 /nfs/dbraw/zinc/35/22/45/623352245.db2.gz GDZNIPRALUDZPS-JHJVBQTASA-N 0 3 298.342 3.352 20 30 CGEDHN CC(C)(C)OC(=O)C1(CCN2CCC(C#N)CC2)CCC1 ZINC000929417335 623366821 /nfs/dbraw/zinc/36/68/21/623366821.db2.gz ZSUDBJQLRHBLMI-UHFFFAOYSA-N 0 3 292.423 3.124 20 30 CGEDHN CCc1ccccc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000755892877 625643121 /nfs/dbraw/zinc/64/31/21/625643121.db2.gz MFTPNZJVCOXIAG-LBPRGKRZSA-N 0 3 257.381 3.131 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@@H]12 ZINC000992423966 623554645 /nfs/dbraw/zinc/55/46/45/623554645.db2.gz ONBDKFYOSBPFIH-KONPQCLYSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993774475 624062878 /nfs/dbraw/zinc/06/28/78/624062878.db2.gz MIIUUIBWNXYQEH-DGCLKSJQSA-N 0 3 296.798 3.092 20 30 CGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C(C)C ZINC000916903205 624222281 /nfs/dbraw/zinc/22/22/81/624222281.db2.gz LPRPMSWMLNWSDA-CQSZACIVSA-N 0 3 286.375 3.115 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994457664 624230665 /nfs/dbraw/zinc/23/06/65/624230665.db2.gz YMOBKPBVJJUJEU-DOTOQJQBSA-N 0 3 290.451 3.278 20 30 CGEDHN C[C@H](CNc1snc(Cl)c1C#N)N1CCCC[C@H]1C ZINC000917065040 624232491 /nfs/dbraw/zinc/23/24/91/624232491.db2.gz RAJLKGBZVZZGCL-NXEZZACHSA-N 0 3 298.843 3.343 20 30 CGEDHN CC(CCc1cccc(C(F)(F)F)c1)=Nn1cnnc1 ZINC000920358752 624480930 /nfs/dbraw/zinc/48/09/30/624480930.db2.gz AOIPRQQMCHHAMI-UHFFFAOYSA-N 0 3 282.269 3.154 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC000999287221 625827996 /nfs/dbraw/zinc/82/79/96/625827996.db2.gz KWAXUYRGEOWRFI-UHFFFAOYSA-N 0 3 298.858 3.144 20 30 CGEDHN CSC[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000921755402 625864317 /nfs/dbraw/zinc/86/43/17/625864317.db2.gz ASDDDFREJREIOU-SECBINFHSA-N 0 3 299.237 3.162 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000921753256 625865107 /nfs/dbraw/zinc/86/51/07/625865107.db2.gz ATGSIWJMJPFUHR-SNVBAGLBSA-N 0 3 279.181 3.375 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001001325966 625895548 /nfs/dbraw/zinc/89/55/48/625895548.db2.gz LJPIGUJWGHHXKP-IAGOWNOFSA-N 0 3 290.451 3.137 20 30 CGEDHN C[C@@H]1Cc2cc(CNCc3cc(C#N)cs3)ccc2O1 ZINC000922703838 626034342 /nfs/dbraw/zinc/03/43/42/626034342.db2.gz ZWFPFYOUKNQCJF-LLVKDONJSA-N 0 3 284.384 3.233 20 30 CGEDHN Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1C#N ZINC000922760108 626042886 /nfs/dbraw/zinc/04/28/86/626042886.db2.gz ZVANQOVKQDEPEH-UHFFFAOYSA-N 0 3 278.355 3.091 20 30 CGEDHN Cc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1C#N ZINC000922759047 626043034 /nfs/dbraw/zinc/04/30/34/626043034.db2.gz KDPUTXAVYNFUAY-UHFFFAOYSA-N 0 3 297.377 3.362 20 30 CGEDHN CCN(C)c1ccc(CNCc2ccc(C)c(C#N)c2)cn1 ZINC000922759550 626043235 /nfs/dbraw/zinc/04/32/35/626043235.db2.gz QOMDYJMFNYETIZ-UHFFFAOYSA-N 0 3 294.402 3.008 20 30 CGEDHN C#CCC1(NCc2nc3c(s2)CCC3)CCCCC1 ZINC000922981930 626114581 /nfs/dbraw/zinc/11/45/81/626114581.db2.gz VLYYMMWIDFHEJI-UHFFFAOYSA-N 0 3 274.433 3.448 20 30 CGEDHN C#CCC1(NCc2ccc(OC)c(OC)c2Cl)CCC1 ZINC000922998485 626117100 /nfs/dbraw/zinc/11/71/00/626117100.db2.gz UXAHSQUNLCIAOM-UHFFFAOYSA-N 0 3 293.794 3.393 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc2ccccc2c1 ZINC000839163053 626330325 /nfs/dbraw/zinc/33/03/25/626330325.db2.gz GKNZPUTZZNMKQX-UHFFFAOYSA-N 0 3 253.349 3.264 20 30 CGEDHN Cc1cc(Cl)cc(C[NH2+]CC(C)(C)CC#N)c1[O-] ZINC000839164081 626330727 /nfs/dbraw/zinc/33/07/27/626330727.db2.gz YDUDADXQHNIPRE-UHFFFAOYSA-N 0 3 266.772 3.384 20 30 CGEDHN CSC1(C(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000789336377 626362010 /nfs/dbraw/zinc/36/20/10/626362010.db2.gz PNNMLOUCACCPDY-VIFPVBQESA-N 0 3 288.397 3.368 20 30 CGEDHN C[C@@H](N(C)Cn1ccc(-c2ccc(C#N)cc2)n1)C1(C)CC1 ZINC000753112588 626445753 /nfs/dbraw/zinc/44/57/53/626445753.db2.gz VDJRGSNWWFUOIO-CQSZACIVSA-N 0 3 294.402 3.500 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCCN1[C@@H](C)CCC[C@@H]1C ZINC000754032388 626472698 /nfs/dbraw/zinc/47/26/98/626472698.db2.gz UGPNXDANNLNJBM-KBPBESRZSA-N 0 3 299.418 3.436 20 30 CGEDHN CC(C)N1CC(N=Nc2cccc(F)c2F)[C@@H](C)C1 ZINC000754258435 626565270 /nfs/dbraw/zinc/56/52/70/626565270.db2.gz IVGJYUGMXNLYGG-JTQLQIEISA-N 0 3 267.323 3.093 20 30 CGEDHN CC(C)N1CC(N=Nc2ccc(F)cc2F)[C@@H](C)C1 ZINC000754255758 626565451 /nfs/dbraw/zinc/56/54/51/626565451.db2.gz SCRSSHWFYBEOLK-JTQLQIEISA-N 0 3 267.323 3.093 20 30 CGEDHN C=CCN1CCC(NC(=O)NCCCCCCCC)CC1 ZINC000754858414 626590768 /nfs/dbraw/zinc/59/07/68/626590768.db2.gz MTTRKQQSOWJLHF-UHFFFAOYSA-N 0 3 295.471 3.297 20 30 CGEDHN C#C[C@H](NCc1cn(C)nc1C1CCCCC1)C(C)C ZINC000809685793 626767602 /nfs/dbraw/zinc/76/76/02/626767602.db2.gz RMZLDECSRGBMRY-INIZCTEOSA-N 0 3 273.424 3.215 20 30 CGEDHN CCN(Cc1occc1C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000839661622 626772490 /nfs/dbraw/zinc/77/24/90/626772490.db2.gz PJAKOTPIQXNITC-MRXNPFEDSA-N 0 3 284.359 3.015 20 30 CGEDHN C=CCN(C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759850966 626926432 /nfs/dbraw/zinc/92/64/32/626926432.db2.gz NLQDAIPGZIEERC-CQSZACIVSA-N 0 3 269.747 3.163 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc[nH]2)cc1 ZINC000760446821 626971287 /nfs/dbraw/zinc/97/12/87/626971287.db2.gz XWFKKPRXALYXIE-CHWSQXEVSA-N 0 3 269.348 3.156 20 30 CGEDHN C#CCN(Cc1ccc(OC)c2ccccc12)C1CC1 ZINC000764680759 627218098 /nfs/dbraw/zinc/21/80/98/627218098.db2.gz AGQFKVFXAAIKON-UHFFFAOYSA-N 0 3 265.356 3.446 20 30 CGEDHN CCC#C[C@@H](C)N(CC)C[C@@H](O)c1ccc(C)cc1 ZINC000765498343 627253715 /nfs/dbraw/zinc/25/37/15/627253715.db2.gz AXMFVKGBPPSUFO-NVXWUHKLSA-N 0 3 259.393 3.152 20 30 CGEDHN FC(F)(F)c1ccc(CON=C2CCN3CCC[C@@H]23)cc1 ZINC000765584509 627261088 /nfs/dbraw/zinc/26/10/88/627261088.db2.gz PADORZSQNHFUMT-AWEZNQCLSA-N 0 3 298.308 3.446 20 30 CGEDHN Cc1cccc(F)c1N=NC1CN(C2CC2)C[C@H]1C ZINC000769827494 627582234 /nfs/dbraw/zinc/58/22/34/627582234.db2.gz ALRWEWRDCVOJDL-LLVKDONJSA-N 0 3 261.344 3.016 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000775184038 628070454 /nfs/dbraw/zinc/07/04/54/628070454.db2.gz SVOFIQLUEJODSD-LBPRGKRZSA-N 0 3 267.319 3.358 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000775261340 628075957 /nfs/dbraw/zinc/07/59/57/628075957.db2.gz JKURPHXXBFLVMS-KBPBESRZSA-N 0 3 286.375 3.096 20 30 CGEDHN C#CC[C@H](NCc1ccc(OC(C)=O)cc1)c1ccccc1 ZINC000775404970 628091966 /nfs/dbraw/zinc/09/19/66/628091966.db2.gz RXLCJQDKRCBGHT-IBGZPJMESA-N 0 3 293.366 3.466 20 30 CGEDHN N#Cc1cccc(C2(NC[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000775431534 628094761 /nfs/dbraw/zinc/09/47/61/628094761.db2.gz XZGHNQBSCHOGMU-GFCCVEGCSA-N 0 3 281.186 3.331 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cccc(C)c1C)[C@H]1CCCO1 ZINC000775571573 628108326 /nfs/dbraw/zinc/10/83/26/628108326.db2.gz IKRFQJAUEHHPQY-HYVNUMGLSA-N 0 3 257.377 3.135 20 30 CGEDHN C#C[C@@H](NCc1c(C)ccc2ccccc21)[C@@H]1CCCO1 ZINC000775785570 628136623 /nfs/dbraw/zinc/13/66/23/628136623.db2.gz QBPGPQNYTQKYDL-MOPGFXCFSA-N 0 3 279.383 3.419 20 30 CGEDHN C[C@@H](N[C@@H](CCO)c1cccs1)c1cccc(C#N)c1 ZINC000776165092 628173873 /nfs/dbraw/zinc/17/38/73/628173873.db2.gz XHLGPHHFBVYDDY-DOMZBBRYSA-N 0 3 286.400 3.394 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(OCC#N)cc1 ZINC000776171392 628175272 /nfs/dbraw/zinc/17/52/72/628175272.db2.gz MXNMEMBWZBOZSG-OLZOCXBDSA-N 0 3 269.348 3.329 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](C)SC ZINC000778171725 628331026 /nfs/dbraw/zinc/33/10/26/628331026.db2.gz NZHYKJHYHCOTSU-LLVKDONJSA-N 0 3 283.824 3.193 20 30 CGEDHN C#CCn1ccc(CN(CC)CC2CCCCCC2)n1 ZINC000789329629 629124641 /nfs/dbraw/zinc/12/46/41/629124641.db2.gz PHSHYHNDARDDQK-UHFFFAOYSA-N 0 3 273.424 3.309 20 30 CGEDHN C=CCC[C@H](NC[C@@H](O)c1ccco1)c1ccco1 ZINC000789744299 629165532 /nfs/dbraw/zinc/16/55/32/629165532.db2.gz RKHQGVRZCWTAMO-QWHCGFSZSA-N 0 3 261.321 3.203 20 30 CGEDHN C=CCN(C(C)C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790266887 629198748 /nfs/dbraw/zinc/19/87/48/629198748.db2.gz RHVZSCNLKVGTGL-KRWDZBQOSA-N 0 3 286.419 3.074 20 30 CGEDHN CCCCCCCCCN1CCOC[C@@H]1C[C@H](C)O ZINC000792292252 629355079 /nfs/dbraw/zinc/35/50/79/629355079.db2.gz VVYGJSQKWJTAIZ-HOTGVXAUSA-N 0 3 271.445 3.209 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000862401193 629363668 /nfs/dbraw/zinc/36/36/68/629363668.db2.gz AWWROWSPBDUIET-AWEZNQCLSA-N 0 3 285.387 3.082 20 30 CGEDHN C#C[C@@H](CC)/N=C/c1ccc(N(CC)CC)cc1O ZINC000792570856 629367139 /nfs/dbraw/zinc/36/71/39/629367139.db2.gz SYMYZOCCUBSOFJ-IQGJIOQQSA-N 0 3 258.365 3.069 20 30 CGEDHN C=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793388103 629452670 /nfs/dbraw/zinc/45/26/70/629452670.db2.gz LWZFDKAVLDETHA-UHFFFAOYSA-N 0 3 299.370 3.255 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000864346135 629815249 /nfs/dbraw/zinc/81/52/49/629815249.db2.gz ONBVKJROMNEKAN-BFERYNQYSA-N 0 3 292.810 3.481 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CC[N@H+]1C1CCCC1 ZINC000864346135 629815252 /nfs/dbraw/zinc/81/52/52/629815252.db2.gz ONBVKJROMNEKAN-BFERYNQYSA-N 0 3 292.810 3.481 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCCN(C(=O)OC)C1)c1ccco1 ZINC000796749043 629825451 /nfs/dbraw/zinc/82/54/51/629825451.db2.gz ZBZWFVATPWYBGA-KBPBESRZSA-N 0 3 292.379 3.107 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccccn3)C2)s1 ZINC000798964873 630130637 /nfs/dbraw/zinc/13/06/37/630130637.db2.gz NJJOQGNOADTSNH-LBPRGKRZSA-N 0 3 269.373 3.004 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C(C1CC1)C1CC1 ZINC000125907247 634824506 /nfs/dbraw/zinc/82/45/06/634824506.db2.gz GFPAPOQVAKJFHL-ZDUSSCGKSA-N 0 3 293.370 3.186 20 30 CGEDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC#N)c1[O-] ZINC000808713636 630668889 /nfs/dbraw/zinc/66/88/89/630668889.db2.gz OJLIRVIGEIDXMK-JTQLQIEISA-N 0 3 252.745 3.308 20 30 CGEDHN C#Cc1ccc(CNC2(c3ccc(OC)cc3)CC2)cc1 ZINC000809614998 630761881 /nfs/dbraw/zinc/76/18/81/630761881.db2.gz REPJWQIJWIAMKD-UHFFFAOYSA-N 0 3 277.367 3.455 20 30 CGEDHN C#Cc1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000809624605 630765611 /nfs/dbraw/zinc/76/56/11/630765611.db2.gz MCGQVJKOIQOVQT-QGZVFWFLSA-N 0 3 281.403 3.278 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(OCC(C)C)c(OCC)c1 ZINC000809683999 630779224 /nfs/dbraw/zinc/77/92/24/630779224.db2.gz VIMKCFSLQNVTMC-CQSZACIVSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@@H](C)NCc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000809683744 630779395 /nfs/dbraw/zinc/77/93/95/630779395.db2.gz MPBKVQOEGLGYFD-CQSZACIVSA-N 0 3 295.382 3.482 20 30 CGEDHN C#C[C@H](NCc1ccccc1OCc1ccccn1)C(C)C ZINC000809685046 630780744 /nfs/dbraw/zinc/78/07/44/630780744.db2.gz XPSGVYUGIPLBBZ-SFHVURJKSA-N 0 3 294.398 3.408 20 30 CGEDHN C#C[C@@H](NCc1ccc(N(C)C(C)C)nc1)C(C)(C)C ZINC000809780957 630805624 /nfs/dbraw/zinc/80/56/24/630805624.db2.gz BNLMNGZOCMAHOW-OAHLLOKOSA-N 0 3 273.424 3.064 20 30 CGEDHN C#C[C@H](NCc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000809781508 630806184 /nfs/dbraw/zinc/80/61/84/630806184.db2.gz TZXVBOQMMPOFMS-AWEZNQCLSA-N 0 3 260.337 3.041 20 30 CGEDHN C#C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000809781302 630806505 /nfs/dbraw/zinc/80/65/05/630806505.db2.gz OIYOJUVWBLOOPC-WWRUEGTHSA-N 0 3 272.348 3.246 20 30 CGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc[nH]1 ZINC000810228226 630856571 /nfs/dbraw/zinc/85/65/71/630856571.db2.gz CVNSGXNGAPNSSB-ZBEGNZNMSA-N 0 3 251.333 3.224 20 30 CGEDHN COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])ccc1C#N ZINC000810251775 630858940 /nfs/dbraw/zinc/85/89/40/630858940.db2.gz XDEDUQAFHOPNOL-CYBMUJFWSA-N 0 3 296.370 3.432 20 30 CGEDHN CCN(CC)c1ccc(C=NNC[C@@H]2CCSC2)cc1 ZINC000811660410 631102134 /nfs/dbraw/zinc/10/21/34/631102134.db2.gz MMOYVAZDFHHIFY-HNNXBMFYSA-N 0 3 291.464 3.209 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)cc(C)cc1C ZINC000876545790 634853831 /nfs/dbraw/zinc/85/38/31/634853831.db2.gz TYPQKDQMZOOXGH-LBPRGKRZSA-N 0 3 266.772 3.020 20 30 CGEDHN C=CCN(Cc1ccnc(Br)c1)C(C)C ZINC000815021456 631705052 /nfs/dbraw/zinc/70/50/52/631705052.db2.gz OXJAEHCKWVOGOW-UHFFFAOYSA-N 0 3 269.186 3.241 20 30 CGEDHN COc1ccc(CNCc2ccsc2C)cc1C#N ZINC000815132200 631726621 /nfs/dbraw/zinc/72/66/21/631726621.db2.gz YHNHGPSUFBWEAX-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN Cc1cc(C)c([C@H](C)NCc2ccc(C#N)cn2)c(O)c1 ZINC000815618721 631807799 /nfs/dbraw/zinc/80/77/99/631807799.db2.gz SIJIHDCEPXKSIV-ZDUSSCGKSA-N 0 3 281.359 3.127 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(-c2ccccc2)c1 ZINC000818355392 632313072 /nfs/dbraw/zinc/31/30/72/632313072.db2.gz DVPDLRLSMVMDIC-OFQRWUPVSA-N 0 3 280.375 3.215 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[C@H](C#N)C2)c([O-])c1 ZINC000818991870 632360755 /nfs/dbraw/zinc/36/07/55/632360755.db2.gz KQWSCDXYZMNUHN-WXSRTPMLSA-N 0 3 285.391 3.350 20 30 CGEDHN C#CCOc1ccc(CN[C@H]2CCCc3ncccc32)cc1 ZINC000866367553 633104576 /nfs/dbraw/zinc/10/45/76/633104576.db2.gz KMWDIKVZPLJYLX-IBGZPJMESA-N 0 3 292.382 3.261 20 30 CGEDHN C=CCCN(C)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000824251106 633216956 /nfs/dbraw/zinc/21/69/56/633216956.db2.gz XXQNISBBBZPORA-UHFFFAOYSA-N 0 3 298.386 3.380 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCCn3nccc32)cc1 ZINC000866631517 633221465 /nfs/dbraw/zinc/22/14/65/633221465.db2.gz BOWMXWMENZTOHS-PBHICJAKSA-N 0 3 295.386 3.081 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000876561851 634857605 /nfs/dbraw/zinc/85/76/05/634857605.db2.gz MDQOAIDUKGQXRR-GJZGRUSLSA-N 0 3 294.826 3.360 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000876602111 634866946 /nfs/dbraw/zinc/86/69/46/634866946.db2.gz HEQXYRXWBJAPRX-HUUCEWRRSA-N 0 3 294.826 3.012 20 30 CGEDHN C#CCN(Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000122209483 633339586 /nfs/dbraw/zinc/33/95/86/633339586.db2.gz IEYWPOWOPXLBAH-UHFFFAOYSA-N 0 3 256.324 3.075 20 30 CGEDHN C=CC(C)(C)CC(=O)Nc1ccc(CN(C)C)cc1F ZINC000880282531 635962142 /nfs/dbraw/zinc/96/21/42/635962142.db2.gz JIDWCDCROTXKIO-UHFFFAOYSA-N 0 3 278.371 3.428 20 30 CGEDHN C#CC1CCN(c2ccnc3cc(OC)ccc32)CC1 ZINC000826715016 633428656 /nfs/dbraw/zinc/42/86/56/633428656.db2.gz MIHTTXAKGFEWML-UHFFFAOYSA-N 0 3 266.344 3.093 20 30 CGEDHN C=CC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000826948504 633445693 /nfs/dbraw/zinc/44/56/93/633445693.db2.gz ZVJSPFPYEICXOF-ZDUSSCGKSA-N 0 3 261.365 3.189 20 30 CGEDHN C=CC[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000826948504 633445697 /nfs/dbraw/zinc/44/56/97/633445697.db2.gz ZVJSPFPYEICXOF-ZDUSSCGKSA-N 0 3 261.365 3.189 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000871188225 633718743 /nfs/dbraw/zinc/71/87/43/633718743.db2.gz MJZXFRSMDMKADB-QGZVFWFLSA-N 0 3 286.419 3.042 20 30 CGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000829775168 633781396 /nfs/dbraw/zinc/78/13/96/633781396.db2.gz YUBMUEIVOAAOKA-IAGOWNOFSA-N 0 3 298.430 3.366 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cncn2Cc2ccccc2)C1 ZINC000829809988 633793092 /nfs/dbraw/zinc/79/30/92/633793092.db2.gz JVKLNVOTWZJAJY-QGZVFWFLSA-N 0 3 293.414 3.167 20 30 CGEDHN N#CCCOCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830763898 633886353 /nfs/dbraw/zinc/88/63/53/633886353.db2.gz CGZMLINPVCAXBE-QGZVFWFLSA-N 0 3 282.387 3.310 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872130897 634052052 /nfs/dbraw/zinc/05/20/52/634052052.db2.gz MTASVUPPMJHBHN-HOSYDEDBSA-N 0 3 283.297 3.443 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872279727 634099155 /nfs/dbraw/zinc/09/91/55/634099155.db2.gz HPPCZWGKOQCCBE-LJQANCHMSA-N 0 3 283.415 3.462 20 30 CGEDHN C#Cc1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000834902128 634278810 /nfs/dbraw/zinc/27/88/10/634278810.db2.gz FKFUOAUFUNTAQY-INIZCTEOSA-N 0 3 251.329 3.428 20 30 CGEDHN C#Cc1cccc(CN[C@@H]2CCc3ccc(OC)cc32)c1 ZINC000834903813 634280359 /nfs/dbraw/zinc/28/03/59/634280359.db2.gz SQLPBORKDJEZOC-LJQANCHMSA-N 0 3 277.367 3.454 20 30 CGEDHN CN(C)c1ccc(/C=C\C=NO[C@@H]2CCCCO2)cc1 ZINC000834966824 634296881 /nfs/dbraw/zinc/29/68/81/634296881.db2.gz OONIZQNYBRTLMV-VAZYGESTSA-N 0 3 274.364 3.295 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CC1)C1CCCCC1 ZINC000876640727 634873771 /nfs/dbraw/zinc/87/37/71/634873771.db2.gz CXXHIQYIEMKWBM-AWEZNQCLSA-N 0 3 284.831 3.028 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC2(CCCCC2)C1 ZINC000876660295 634876961 /nfs/dbraw/zinc/87/69/61/634876961.db2.gz QILAVVMEJGOQRD-ZDUSSCGKSA-N 0 3 284.831 3.029 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000876884146 634920287 /nfs/dbraw/zinc/92/02/87/634920287.db2.gz AIQOGWSLUMJBSF-AWEZNQCLSA-N 0 3 298.858 3.419 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1NC1CCC1 ZINC000876949412 634934802 /nfs/dbraw/zinc/93/48/02/634934802.db2.gz RBCOXFALSRZZOI-LBPRGKRZSA-N 0 3 293.798 3.059 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1c2ccccc2C(C)(C)[C@@H]1C ZINC000876970412 634940783 /nfs/dbraw/zinc/94/07/83/634940783.db2.gz QUWSEABWLZUJRM-AAEUAGOBSA-N 0 3 292.810 3.169 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2Cc3ccccc32)c1 ZINC000877016543 634951612 /nfs/dbraw/zinc/95/16/12/634951612.db2.gz NSMAGFGMJBQKJY-ZDUSSCGKSA-N 0 3 283.762 3.036 20 30 CGEDHN C[C@@H](CCOCc1ccccc1)NCC1(C#N)CCC1 ZINC000877594104 635105718 /nfs/dbraw/zinc/10/57/18/635105718.db2.gz BRZROPKHWNYSSL-HNNXBMFYSA-N 0 3 272.392 3.265 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877651528 635133276 /nfs/dbraw/zinc/13/32/76/635133276.db2.gz XPAJPLHEJJDYIR-NSHDSACASA-N 0 3 274.751 3.326 20 30 CGEDHN CC(C)c1cc([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000877783607 635202691 /nfs/dbraw/zinc/20/26/91/635202691.db2.gz BCCFWFVYDJBVJL-CYBMUJFWSA-N 0 3 298.390 3.377 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000877834134 635234736 /nfs/dbraw/zinc/23/47/36/635234736.db2.gz PMNUUOLBGIONIW-HAQNSBGRSA-N 0 3 299.330 3.018 20 30 CGEDHN Cc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)ccc1F ZINC000842155761 635298851 /nfs/dbraw/zinc/29/88/51/635298851.db2.gz DYUAZWNRNJLNNJ-SFHVURJKSA-N 0 3 298.361 3.171 20 30 CGEDHN C=CCOC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842292897 635317710 /nfs/dbraw/zinc/31/77/10/635317710.db2.gz FLRAFBRFNUUZTK-UHFFFAOYSA-N 0 3 259.349 3.015 20 30 CGEDHN N#CCCN(CC[C@@H]1CCCC1(F)F)CC1CC1 ZINC000878159760 635385563 /nfs/dbraw/zinc/38/55/63/635385563.db2.gz UEVONTDHBLLOJC-ZDUSSCGKSA-N 0 3 256.340 3.438 20 30 CGEDHN N#CC(C(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccccn1 ZINC000842684795 635440109 /nfs/dbraw/zinc/44/01/09/635440109.db2.gz NUCSANIFKYJJKH-ILXRZTDVSA-N 0 3 268.360 3.474 20 30 CGEDHN C#CCCCCCN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000878426497 635504081 /nfs/dbraw/zinc/50/40/81/635504081.db2.gz MGAALLIRMYQIKC-HNNXBMFYSA-N 0 3 282.391 3.112 20 30 CGEDHN CN(C[C@@H]1CC(C)(C)OC1(C)C)[C@H]1CCC[C@@H]1C#N ZINC000879310546 635752497 /nfs/dbraw/zinc/75/24/97/635752497.db2.gz VMSOIDAKZCMEGL-RDBSUJKOSA-N 0 3 264.413 3.204 20 30 CGEDHN N#Cc1ccc(F)cc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529591 635805062 /nfs/dbraw/zinc/80/50/62/635805062.db2.gz RTAFQCYYUZXPON-OKILXGFUSA-N 0 3 256.324 3.095 20 30 CGEDHN C=CCN1CCCSC[C@H]1c1ccccc1OC ZINC000880172738 635928084 /nfs/dbraw/zinc/92/80/84/635928084.db2.gz BCRJKJWSIKWAEB-AWEZNQCLSA-N 0 3 263.406 3.361 20 30 CGEDHN C=CCCC[C@H](NCC1OCCO1)c1ccccc1 ZINC000880389951 635992163 /nfs/dbraw/zinc/99/21/63/635992163.db2.gz LKAMHELRDZUYOE-HNNXBMFYSA-N 0 3 261.365 3.047 20 30 CGEDHN C=CCCC[C@@H](NCC(OC)OC)c1ccccc1 ZINC000880389485 635992277 /nfs/dbraw/zinc/99/22/77/635992277.db2.gz HIDBVUAEUKFMDY-OAHLLOKOSA-N 0 3 263.381 3.293 20 30 CGEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000845966165 636124647 /nfs/dbraw/zinc/12/46/47/636124647.db2.gz GABRZJIQRLJJQS-JSGCOSHPSA-N 0 3 261.365 3.235 20 30 CGEDHN CCCCCCCCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000846647620 636214101 /nfs/dbraw/zinc/21/41/01/636214101.db2.gz WTYXQILVYUEPMC-UHFFFAOYSA-N 0 3 284.444 3.269 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)N[C@@H](C)c1ncnn1C ZINC000883218288 636591698 /nfs/dbraw/zinc/59/16/98/636591698.db2.gz XNKKWTSUJVDKCT-GOEBONIOSA-N 0 3 284.407 3.043 20 30 CGEDHN CCc1cc(CNCc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000848535554 636593555 /nfs/dbraw/zinc/59/35/55/636593555.db2.gz DJLJTZWNEVNFKZ-UHFFFAOYSA-N 0 3 282.391 3.063 20 30 CGEDHN C=CCCC[C@H](N[C@H](C)C(=O)NCCF)c1ccccc1 ZINC000883220859 636594421 /nfs/dbraw/zinc/59/44/21/636594421.db2.gz QIVFBNWQUHGAEV-ZBFHGGJFSA-N 0 3 292.398 3.148 20 30 CGEDHN C=C(C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000883391602 636735708 /nfs/dbraw/zinc/73/57/08/636735708.db2.gz OAVZUZBWRHISTL-ZFWWWQNUSA-N 0 3 263.381 3.068 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(C)c2C)CC1 ZINC001006358157 636862272 /nfs/dbraw/zinc/86/22/72/636862272.db2.gz TZFZBYMXUISWAD-UHFFFAOYSA-N 0 3 286.419 3.026 20 30 CGEDHN N#CC(C(=O)CCCF)c1ccc2ccccc2n1 ZINC000850741148 637136422 /nfs/dbraw/zinc/13/64/22/637136422.db2.gz FTRZPVIMQPTUTD-GFCCVEGCSA-N 0 3 256.280 3.161 20 30 CGEDHN C#CC[C@@H]1CCN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000886356121 637511699 /nfs/dbraw/zinc/51/16/99/637511699.db2.gz UHVLCPRUBCPZIN-DOMZBBRYSA-N 0 3 297.320 3.084 20 30 CGEDHN C#CCOCCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000851824299 637514767 /nfs/dbraw/zinc/51/47/67/637514767.db2.gz TYLKGCUYPFOAOL-UHFFFAOYSA-N 0 3 298.361 3.046 20 30 CGEDHN C#CCN(C(=O)C[C@H](C)CCCCC)C1CCN(C)CC1 ZINC000886581223 637590084 /nfs/dbraw/zinc/59/00/84/637590084.db2.gz OFGGKKWCTSPXNY-MRXNPFEDSA-N 0 3 292.467 3.149 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cccc(C(=O)N2CCCCC2)c1 ZINC000852100418 637594551 /nfs/dbraw/zinc/59/45/51/637594551.db2.gz XLMLILKVPFLBQJ-IBGZPJMESA-N 0 3 298.430 3.204 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cnc2ccc(C)cc2c1 ZINC000852103821 637597710 /nfs/dbraw/zinc/59/77/10/637597710.db2.gz SJSRMSDYUAXXEQ-KRWDZBQOSA-N 0 3 252.361 3.435 20 30 CGEDHN C#C[C@](C)(CC)NCc1cnc2ccc(C)cc2c1 ZINC000852103822 637597959 /nfs/dbraw/zinc/59/79/59/637597959.db2.gz SJSRMSDYUAXXEQ-QGZVFWFLSA-N 0 3 252.361 3.435 20 30 CGEDHN C[C@@H](CN1CCC(C)CC1)Nc1snc(Cl)c1C#N ZINC000853866949 637945661 /nfs/dbraw/zinc/94/56/61/637945661.db2.gz CMTRKPTZCCHUPN-JTQLQIEISA-N 0 3 298.843 3.200 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000855436378 638197217 /nfs/dbraw/zinc/19/72/17/638197217.db2.gz ABPORNJELLIKKO-RHSMWYFYSA-N 0 3 296.430 3.014 20 30 CGEDHN N#CC1CCC(CN2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000930447941 638272643 /nfs/dbraw/zinc/27/26/43/638272643.db2.gz LGUASVFZRKHMTM-ZBCRRDGASA-N 0 3 272.396 3.267 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000925471156 638507511 /nfs/dbraw/zinc/50/75/11/638507511.db2.gz NQRVMXZFTCENCT-IJEWVQPXSA-N 0 3 299.418 3.098 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925699863 638572636 /nfs/dbraw/zinc/57/26/36/638572636.db2.gz XVNZVQKQIDXAHU-LPHOPBHVSA-N 0 3 296.414 3.254 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858051149 638622641 /nfs/dbraw/zinc/62/26/41/638622641.db2.gz INYAMVXURGLFMW-COXVUDFISA-N 0 3 297.402 3.104 20 30 CGEDHN Cc1nc2c(o1)CCC[C@H]2NCC(C)(C)CCC#N ZINC000926426593 638770654 /nfs/dbraw/zinc/77/06/54/638770654.db2.gz JUEOZCNAHVKUSF-GFCCVEGCSA-N 0 3 261.369 3.280 20 30 CGEDHN C#C[C@H]1CC[C@H](N[C@H]2CCCc3oc(C)nc32)CC1 ZINC000926838689 638816550 /nfs/dbraw/zinc/81/65/50/638816550.db2.gz GCPLSNXUSUIRCM-IHRRRGAJSA-N 0 3 258.365 3.142 20 30 CGEDHN C[C@H](NC1([C@H]2CCCCO2)CC1)c1ccc(C#N)c(F)c1 ZINC000927165126 638849505 /nfs/dbraw/zinc/84/95/05/638849505.db2.gz ZSFZUPCEKBIUGT-BLLLJJGKSA-N 0 3 288.366 3.450 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H]1CCCN1C(C)C ZINC000929696750 638942265 /nfs/dbraw/zinc/94/22/65/638942265.db2.gz OLSQDEQSEUMJBE-HNNXBMFYSA-N 0 3 292.448 3.136 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000930071412 638972422 /nfs/dbraw/zinc/97/24/22/638972422.db2.gz GRMMBNKURNHTJQ-LSDHHAIUSA-N 0 3 290.794 3.070 20 30 CGEDHN COC/C(C)=C\CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157956 638978007 /nfs/dbraw/zinc/97/80/07/638978007.db2.gz JCOFNSMAGQPBML-CHHVJCJISA-N 0 3 282.387 3.240 20 30 CGEDHN Cn1nccc1C1=CCN(CCCCC2(C#N)CCC2)CC1 ZINC000930447174 638999944 /nfs/dbraw/zinc/99/99/44/638999944.db2.gz XAOLFHXOAHLYOC-UHFFFAOYSA-N 0 3 298.434 3.373 20 30 CGEDHN C[C@@H](NCC1CCC(C#N)CC1)c1c(F)cncc1F ZINC000930474495 639006240 /nfs/dbraw/zinc/00/62/40/639006240.db2.gz QDGKGSHYVGBYCL-VOMCLLRMSA-N 0 3 279.334 3.340 20 30 CGEDHN COC/C(C)=C\CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000930765554 639065205 /nfs/dbraw/zinc/06/52/05/639065205.db2.gz ZSLVHQBLPDHEQC-MQJVFOOVSA-N 0 3 258.365 3.144 20 30 CGEDHN CC(C)(C)NC(=O)[C@H]1CCCN1CCCCC(C)(C)C#N ZINC000932435165 639332167 /nfs/dbraw/zinc/33/21/67/639332167.db2.gz RKDYUWUOGJAPAT-CQSZACIVSA-N 0 3 293.455 3.086 20 30 CGEDHN N#Cc1cccc(CN2CCCSC[C@@H]2C2CC2)c1F ZINC000933915177 639507090 /nfs/dbraw/zinc/50/70/90/639507090.db2.gz OUVDIKCAONFOJE-OAHLLOKOSA-N 0 3 290.407 3.415 20 30 CGEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000935027699 639734401 /nfs/dbraw/zinc/73/44/01/639734401.db2.gz QGHADOSAKBJVQF-IAGOWNOFSA-N 0 3 299.418 3.020 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001008433382 640950484 /nfs/dbraw/zinc/95/04/84/640950484.db2.gz NMSMBVALFFNAPL-OAHLLOKOSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N1CCCC[C@H](C)C1 ZINC001157782328 805870893 /nfs/dbraw/zinc/87/08/93/805870893.db2.gz YXLLKTMEESBNRP-GJZGRUSLSA-N 0 3 266.429 3.099 20 30 CGEDHN C=CC(C)(C)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001157817384 805877521 /nfs/dbraw/zinc/87/75/21/805877521.db2.gz BRQCUKCZWBQGAM-UHFFFAOYSA-N 0 3 285.391 3.233 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC001158397782 805949150 /nfs/dbraw/zinc/94/91/50/805949150.db2.gz OGQSLXFCUOVUTC-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cnoc1C ZINC001252121496 806007965 /nfs/dbraw/zinc/00/79/65/806007965.db2.gz GSIFSZCMBULJMD-HNNXBMFYSA-N 0 3 268.401 3.184 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CCCC[C@@H](C)CC ZINC001158822077 806008568 /nfs/dbraw/zinc/00/85/68/806008568.db2.gz GYUDGALRNZBRBC-ZDUSSCGKSA-N 0 3 288.863 3.441 20 30 CGEDHN C=C[C@@](C)(O)CN1CCC[C@H]1c1cc(F)ccc1F ZINC001252555679 806064681 /nfs/dbraw/zinc/06/46/81/806064681.db2.gz ZXOZXGMTDFDBTF-LSDHHAIUSA-N 0 3 267.319 3.039 20 30 CGEDHN C=C[C@](C)(O)CN(C)[C@@H](C)c1ccccc1Cl ZINC001252559149 806065728 /nfs/dbraw/zinc/06/57/28/806065728.db2.gz RNHSVLPMEJLABJ-FZMZJTMJSA-N 0 3 253.773 3.270 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCc1c[nH]cn1 ZINC001252978982 806143904 /nfs/dbraw/zinc/14/39/04/806143904.db2.gz HTUIDLMRBAZGPZ-INIZCTEOSA-N 0 3 281.444 3.391 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN(C)Cc1ccncc1 ZINC001253233638 806186720 /nfs/dbraw/zinc/18/67/20/806186720.db2.gz JULOJQQTPSXPIC-QGZVFWFLSA-N 0 3 276.424 3.401 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cncs1 ZINC001253246366 806194208 /nfs/dbraw/zinc/19/42/08/806194208.db2.gz NZYDPRKWOHGBIO-ZDUSSCGKSA-N 0 3 268.426 3.120 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cc(OC)ccn1 ZINC001253249112 806195100 /nfs/dbraw/zinc/19/51/00/806195100.db2.gz HUOUJLAUWDIRGT-INIZCTEOSA-N 0 3 292.423 3.067 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cc(C)nc(C(C)(C)C)n1 ZINC001160957346 806329138 /nfs/dbraw/zinc/32/91/38/806329138.db2.gz JOTQQFLCAFGTQF-AWEZNQCLSA-N 0 3 288.439 3.145 20 30 CGEDHN CCCCOC(=O)CC[C@H](C)N1CCC[C@@H](CC#N)C1 ZINC001257399518 807137209 /nfs/dbraw/zinc/13/72/09/807137209.db2.gz DAVQOGALRROCLP-GJZGRUSLSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)N[C@H]1CCCOC1 ZINC001254369578 806386077 /nfs/dbraw/zinc/38/60/77/806386077.db2.gz IXGCCJHMEQDNOY-KBPBESRZSA-N 0 3 261.365 3.081 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CCC(C)(C)C)CC1 ZINC001161513989 806386811 /nfs/dbraw/zinc/38/68/11/806386811.db2.gz JQIPCTHXXBBUND-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN N#CC1(CNC2CCN(c3ccc(F)cc3)CC2)CCC1 ZINC001254610617 806461410 /nfs/dbraw/zinc/46/14/10/806461410.db2.gz OMMMLZUXEXSQMR-UHFFFAOYSA-N 0 3 287.382 3.078 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cc(Cl)nc(Cl)c2)C1 ZINC001254637245 806466914 /nfs/dbraw/zinc/46/69/14/806466914.db2.gz NXYRNAUMHJRARM-WPRPVWTQSA-N 0 3 270.163 3.170 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c(F)c1 ZINC001254642094 806469125 /nfs/dbraw/zinc/46/91/25/806469125.db2.gz CNOSISQGJXWILD-SRVKXCTJSA-N 0 3 262.328 3.177 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCSC[C@H]2c2ccccc2)C1 ZINC001254669869 806480042 /nfs/dbraw/zinc/48/00/42/806480042.db2.gz WMEDPKHNYFMIDL-BMFZPTHFSA-N 0 3 272.417 3.469 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001254672509 806482150 /nfs/dbraw/zinc/48/21/50/806482150.db2.gz CDRAZQLEJVALCU-IRXDYDNUSA-N 0 3 296.414 3.360 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1CCC ZINC001162208913 806527406 /nfs/dbraw/zinc/52/74/06/806527406.db2.gz AHYHOFXEFOAQKN-UHFFFAOYSA-N 0 3 294.826 3.101 20 30 CGEDHN CC[C@H](CC#N)NCCCCC(=O)OCc1ccccc1 ZINC001255157668 806557921 /nfs/dbraw/zinc/55/79/21/806557921.db2.gz TWCWDMAUYBPTFF-MRXNPFEDSA-N 0 3 288.391 3.182 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1 ZINC001255160598 806559189 /nfs/dbraw/zinc/55/91/89/806559189.db2.gz MGTUEKCKXKVGEY-RBSFLKMASA-N 0 3 293.455 3.132 20 30 CGEDHN C#CC1(Nc2cc(N3CCCC3)nc(C)n2)CCCCC1 ZINC001162478448 806594491 /nfs/dbraw/zinc/59/44/91/806594491.db2.gz FNKMOTGEQJHJLN-UHFFFAOYSA-N 0 3 284.407 3.133 20 30 CGEDHN CC(C)C[C@@](C)(C#N)Nc1ccc(CN2CCCC2)cn1 ZINC001162519533 806606294 /nfs/dbraw/zinc/60/62/94/806606294.db2.gz HKQUWVMKOMCXGL-KRWDZBQOSA-N 0 3 286.423 3.418 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001163172554 806713474 /nfs/dbraw/zinc/71/34/74/806713474.db2.gz RLNKQURUUDGZKL-GJZGRUSLSA-N 0 3 298.858 3.051 20 30 CGEDHN C=CCCCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000176573165 799101087 /nfs/dbraw/zinc/10/10/87/799101087.db2.gz XALXXSIKROCPFT-MRXNPFEDSA-N 0 3 273.376 3.160 20 30 CGEDHN N#CC(C(=O)C=CSCc1ccco1)c1ccccn1 ZINC000255341269 799170682 /nfs/dbraw/zinc/17/06/82/799170682.db2.gz NZIQCHBMIPOVNO-XURPKSDJSA-N 0 3 284.340 3.298 20 30 CGEDHN O/N=C1/CCc2cc(N[C@@H]3CNCc4ccsc43)ccc21 ZINC001163230267 806729943 /nfs/dbraw/zinc/72/99/43/806729943.db2.gz NXUIMPOGWORKMS-ATPAHOSSSA-N 0 3 299.399 3.129 20 30 CGEDHN COc1ccc(N[C@H]2CNCc3ccsc32)c(CC#N)c1 ZINC001163230506 806730658 /nfs/dbraw/zinc/73/06/58/806730658.db2.gz XPRXXYAMJZGHKC-HNNXBMFYSA-N 0 3 299.399 3.079 20 30 CGEDHN C#CCOc1ccccc1CNCc1cc(C)cs1 ZINC000379146692 799347756 /nfs/dbraw/zinc/34/77/56/799347756.db2.gz UPLSBFBMLZIFNN-UHFFFAOYSA-N 0 3 271.385 3.358 20 30 CGEDHN CC[C@H](CC#N)NC[C@@H](C)COCc1ccccc1 ZINC000390167293 799468235 /nfs/dbraw/zinc/46/82/35/799468235.db2.gz FMZWPGFCIRXSDX-GDBMZVCRSA-N 0 3 260.381 3.121 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc2c1OCC2 ZINC000692985279 799806216 /nfs/dbraw/zinc/80/62/16/799806216.db2.gz ITQHWMDFUALZHI-LBPRGKRZSA-N 0 3 258.365 3.039 20 30 CGEDHN C=CCCSCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000696044553 799837382 /nfs/dbraw/zinc/83/73/82/799837382.db2.gz MSGUQLWFVHBZAD-LBPRGKRZSA-N 0 3 251.395 3.352 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C)c1cn(CCC)nn1 ZINC000715879663 800150293 /nfs/dbraw/zinc/15/02/93/800150293.db2.gz GGRXPIPXYPZJGA-STQMWFEESA-N 0 3 250.390 3.084 20 30 CGEDHN C[C@H]1Cc2cc(CN3CCC[C@H](CC#N)C3)ccc2O1 ZINC000720829713 800268743 /nfs/dbraw/zinc/26/87/43/800268743.db2.gz QXUUXHFVKRJOAK-UONOGXRCSA-N 0 3 270.376 3.136 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724071928 800354426 /nfs/dbraw/zinc/35/44/26/800354426.db2.gz YDMZHEZPBOGKHI-NWDGAFQWSA-N 0 3 288.819 3.022 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000809546855 800445058 /nfs/dbraw/zinc/44/50/58/800445058.db2.gz ZBKOLECPUBKPPK-UHFFFAOYSA-N 0 3 260.340 3.172 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028279393 800837231 /nfs/dbraw/zinc/83/72/31/800837231.db2.gz ZGTZVMGKPVPMRU-BRWVUGGUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028339311 800843101 /nfs/dbraw/zinc/84/31/01/800843101.db2.gz RQQHBYRMKMAAMN-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033236706 800956329 /nfs/dbraw/zinc/95/63/29/800956329.db2.gz BWOQVBMWTGSPFY-CQSZACIVSA-N 0 3 292.448 3.087 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001033710844 800976171 /nfs/dbraw/zinc/97/61/71/800976171.db2.gz KEGAYUUHDCMSFU-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736200 800979870 /nfs/dbraw/zinc/97/98/70/800979870.db2.gz JMKRWFCIQHCVJR-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001034243960 801012220 /nfs/dbraw/zinc/01/22/20/801012220.db2.gz NCAIHLVMLZOKLX-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034225136 801012503 /nfs/dbraw/zinc/01/25/03/801012503.db2.gz FGUSBTPBXAJIBD-WMZOPIPTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001034531189 801031401 /nfs/dbraw/zinc/03/14/01/801031401.db2.gz JBJRZDPEIJPBFA-KRWDZBQOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034547412 801033769 /nfs/dbraw/zinc/03/37/69/801033769.db2.gz QKCRJNZWAGCLSL-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038246563 801123159 /nfs/dbraw/zinc/12/31/59/801123159.db2.gz NHAGKGROZIIIBZ-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038668448 801130091 /nfs/dbraw/zinc/13/00/91/801130091.db2.gz JVTIBKWIODMYTN-AWEZNQCLSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001038967448 801137766 /nfs/dbraw/zinc/13/77/66/801137766.db2.gz IQVWWFOJDFPTEM-MRXNPFEDSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C)CCCCC3)C[C@H]21 ZINC001042217268 801203330 /nfs/dbraw/zinc/20/33/30/801203330.db2.gz WMALXBFLPIPYTB-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@]2(C)CCN(CC(=C)C)C2)cc1 ZINC001046643340 801319726 /nfs/dbraw/zinc/31/97/26/801319726.db2.gz AHRRETARWCSOPT-SFHVURJKSA-N 0 3 284.403 3.100 20 30 CGEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046792278 801326228 /nfs/dbraw/zinc/32/62/28/801326228.db2.gz COVFKVJVTZLAMV-LJQANCHMSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CCC1 ZINC001049619917 801378419 /nfs/dbraw/zinc/37/84/19/801378419.db2.gz XTZJELHKBYSARL-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C=C)cc1 ZINC001049743463 801386423 /nfs/dbraw/zinc/38/64/23/801386423.db2.gz PWQBQIQRSUXLAP-ROUUACIJSA-N 0 3 296.414 3.195 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccccc2C(C)C)CC1 ZINC001052431241 801434802 /nfs/dbraw/zinc/43/48/02/801434802.db2.gz LTQATGBQVNZPHD-MRXNPFEDSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)s2)CC[C@@H]1C ZINC001071299019 801523584 /nfs/dbraw/zinc/52/35/84/801523584.db2.gz DTDQGVRVQSMEJA-JSGCOSHPSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085466127 801688920 /nfs/dbraw/zinc/68/89/20/801688920.db2.gz PBGWBFYEUKHZFC-KRWDZBQOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001085460814 801689709 /nfs/dbraw/zinc/68/97/09/801689709.db2.gz QHDMSLVEKDKCDO-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085509514 801691701 /nfs/dbraw/zinc/69/17/01/801691701.db2.gz ZKCAYUFDLAXXQO-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001085996531 801718303 /nfs/dbraw/zinc/71/83/03/801718303.db2.gz QHNNHSCUIGODQS-UYSNPLJNSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2=CCCCCC2)C1 ZINC001086069204 801721218 /nfs/dbraw/zinc/72/12/18/801721218.db2.gz JHXHLUQNSNJDHO-OTVXOJSOSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2C)C1 ZINC001086181240 801722538 /nfs/dbraw/zinc/72/25/38/801722538.db2.gz ARBXOCHMDVRPIC-SPWCGHHHSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1CC ZINC001087554453 801758188 /nfs/dbraw/zinc/75/81/88/801758188.db2.gz HQAJNIHNFSWWAE-QWHCGFSZSA-N 0 3 296.798 3.092 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1CC ZINC001087803578 801767520 /nfs/dbraw/zinc/76/75/20/801767520.db2.gz DLEASVUDDAKYHS-LUKYLMHMSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2cccs2)[C@H]1C ZINC001088852185 801810633 /nfs/dbraw/zinc/81/06/33/801810633.db2.gz IQCKZVLNDHJTTQ-MCIONIFRSA-N 0 3 292.448 3.007 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccco1 ZINC001089596133 801844785 /nfs/dbraw/zinc/84/47/85/801844785.db2.gz UXTBQBMMWPDSMW-AWEZNQCLSA-N 0 3 290.407 3.076 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCCC1)C2 ZINC001096940025 801897173 /nfs/dbraw/zinc/89/71/73/801897173.db2.gz OHFLZBCTSNKYSR-ZACQAIPSSA-N 0 3 288.435 3.175 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(C)(C)C1)C2 ZINC001097807598 801906007 /nfs/dbraw/zinc/90/60/07/801906007.db2.gz XAPUVBXTGAFFRJ-JJXSEGSLSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccccc1)C2 ZINC001098246622 801907963 /nfs/dbraw/zinc/90/79/63/801907963.db2.gz LKFNRIQKYVLJCD-DDBAPUKQSA-N 0 3 298.430 3.088 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001099164670 801930927 /nfs/dbraw/zinc/93/09/27/801930927.db2.gz FWUBFNPBQRBTDU-MAUKXSAKSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001099194725 801935004 /nfs/dbraw/zinc/93/50/04/801935004.db2.gz RMIIRJNIZOIXSR-HNNXBMFYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC(C)C ZINC001099286372 801936483 /nfs/dbraw/zinc/93/64/83/801936483.db2.gz VPFHUNSABUEHMQ-JKSUJKDBSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCN(CC(CC)CC)CC1 ZINC001112896321 802195441 /nfs/dbraw/zinc/19/54/41/802195441.db2.gz RASIYLFZLFLHHH-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(C)CCC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001112902726 802195980 /nfs/dbraw/zinc/19/59/80/802195980.db2.gz VVUCTYVLIYGGLN-MRXNPFEDSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C2CC(C)C2)CCCCC1 ZINC001115474970 802264920 /nfs/dbraw/zinc/26/49/20/802264920.db2.gz UWJZHLQQUMXTLV-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)CN(CC)c1ccc(CN(C)C2CC2)cn1 ZINC001165141517 806972532 /nfs/dbraw/zinc/97/25/32/806972532.db2.gz LCMACEYBNHXLQM-UHFFFAOYSA-N 0 3 259.397 3.078 20 30 CGEDHN C=CCO[C@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC001116555678 802377595 /nfs/dbraw/zinc/37/75/95/802377595.db2.gz TXRNDQVUGZWPKU-CWDCEQMOSA-N 0 3 261.340 3.116 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OCC=C)C2)cc1 ZINC001116576014 802381111 /nfs/dbraw/zinc/38/11/11/802381111.db2.gz NWHPVXKKIBVHEK-KRWDZBQOSA-N 0 3 273.376 3.028 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CC(C)(C)C)C2 ZINC001120639660 802756112 /nfs/dbraw/zinc/75/61/12/802756112.db2.gz KMTXKUAMUZKPIA-UHFFFAOYSA-N 0 3 298.858 3.192 20 30 CGEDHN CC1(c2ccccc2C(=O)C(C#N)c2ccncn2)CC1 ZINC001122921876 802893803 /nfs/dbraw/zinc/89/38/03/802893803.db2.gz AMOMNFJJIAFDEG-CYBMUJFWSA-N 0 3 277.327 3.018 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC1CCCCC1 ZINC001123232674 802919178 /nfs/dbraw/zinc/91/91/78/802919178.db2.gz BVNKIYITWCQLEV-LLVKDONJSA-N 0 3 279.771 3.220 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1cccs1 ZINC001123234614 802920067 /nfs/dbraw/zinc/92/00/67/802920067.db2.gz YLMROHYUJWRGGM-ZDUSSCGKSA-N 0 3 287.388 3.164 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001123337741 802930258 /nfs/dbraw/zinc/93/02/58/802930258.db2.gz TXCFPQFVYCHFDF-KBPBESRZSA-N 0 3 271.364 3.216 20 30 CGEDHN C=C(CC(C)C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001123575211 802955087 /nfs/dbraw/zinc/95/50/87/802955087.db2.gz QFUWJSWUSSEMLR-MRXNPFEDSA-N 0 3 274.408 3.008 20 30 CGEDHN CN(C)Cc1ccnc(-c2cccc(C3(C#N)CC3)c2)c1 ZINC001244073892 803172470 /nfs/dbraw/zinc/17/24/70/803172470.db2.gz GZWPAEPNDSRGFN-UHFFFAOYSA-N 0 3 277.371 3.365 20 30 CGEDHN C=C(C)CCC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001128413319 803190536 /nfs/dbraw/zinc/19/05/36/803190536.db2.gz CELJTFBKMLXVJN-GFCCVEGCSA-N 0 3 296.361 3.088 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132060123 803371989 /nfs/dbraw/zinc/37/19/89/803371989.db2.gz ACNVGKVUTHIBEE-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(CC)CC)CC[C@H]1C ZINC001132494582 803409188 /nfs/dbraw/zinc/40/91/88/803409188.db2.gz UPGKDICTGOFPAC-HUUCEWRRSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001132667388 803425766 /nfs/dbraw/zinc/42/57/66/803425766.db2.gz KPBVPRKQNJDABJ-KBPBESRZSA-N 0 3 292.398 3.195 20 30 CGEDHN C=CCN(Cc1cnc2c(C)cccn12)C(C)(C)C ZINC001136966058 803663547 /nfs/dbraw/zinc/66/35/47/803663547.db2.gz LQBZAZXQWMAVQM-UHFFFAOYSA-N 0 3 257.381 3.429 20 30 CGEDHN N#CCOc1ccc(CN2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001137114769 803684853 /nfs/dbraw/zinc/68/48/53/803684853.db2.gz ZGGIVGJQMNYLBS-AWEZNQCLSA-N 0 3 298.308 3.158 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001137341182 803719036 /nfs/dbraw/zinc/71/90/36/803719036.db2.gz BIJNMIRSQAKGGI-GFCCVEGCSA-N 0 3 271.339 3.433 20 30 CGEDHN Cc1cc(C2=CC[C@@H](N3CCOCC3)CC2)cc(C)c1C#N ZINC001245426359 803733378 /nfs/dbraw/zinc/73/33/78/803733378.db2.gz SWHNGIRRZATHSK-GOSISDBHSA-N 0 3 296.414 3.443 20 30 CGEDHN SCc1ccccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245424646 803734145 /nfs/dbraw/zinc/73/41/45/803734145.db2.gz FJMQYUASEIIOPT-INIZCTEOSA-N 0 3 289.444 3.385 20 30 CGEDHN C=CCC[N@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC001138394957 803912971 /nfs/dbraw/zinc/91/29/71/803912971.db2.gz PWGGUEUZKRPGBL-UHFFFAOYSA-N 0 3 268.360 3.366 20 30 CGEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1ncccc1[O-] ZINC001138394957 803912974 /nfs/dbraw/zinc/91/29/74/803912974.db2.gz PWGGUEUZKRPGBL-UHFFFAOYSA-N 0 3 268.360 3.366 20 30 CGEDHN COc1ccc2[nH]cc(CN3CCC[C@H](CC#N)C3)c2c1 ZINC001138510465 803955262 /nfs/dbraw/zinc/95/52/62/803955262.db2.gz DULXIECUKBFXJT-CYBMUJFWSA-N 0 3 283.375 3.302 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H](C(F)F)C2)cc1 ZINC001138557265 803966776 /nfs/dbraw/zinc/96/67/76/803966776.db2.gz DPKVMQGLUPHXFU-CQSZACIVSA-N 0 3 279.330 3.176 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)c(C)s1 ZINC001138570876 803970689 /nfs/dbraw/zinc/97/06/89/803970689.db2.gz ZPKHKVDRMHCROJ-CYBMUJFWSA-N 0 3 279.430 3.139 20 30 CGEDHN Cc1cc(CN2CC[C@H]3SC(=O)C=C3C2)c(C)s1 ZINC001138570876 803970693 /nfs/dbraw/zinc/97/06/93/803970693.db2.gz ZPKHKVDRMHCROJ-CYBMUJFWSA-N 0 3 279.430 3.139 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2cc(OC)ccc12 ZINC001138589160 803974917 /nfs/dbraw/zinc/97/49/17/803974917.db2.gz YAIIGJHMANRJTA-UHFFFAOYSA-N 0 3 256.349 3.351 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCCC[C@@H]2COC)c1[O-] ZINC001138625623 803982592 /nfs/dbraw/zinc/98/25/92/803982592.db2.gz QUSFNGNKRIORPV-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@@H]2COC)c1[O-] ZINC001138625623 803982603 /nfs/dbraw/zinc/98/26/03/803982603.db2.gz QUSFNGNKRIORPV-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(n3ccnc3)CC2)c1[O-] ZINC001138628593 803986478 /nfs/dbraw/zinc/98/64/78/803986478.db2.gz XYFKYMJRXYVXTL-UHFFFAOYSA-N 0 3 297.402 3.154 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC(O)(CC)CC1 ZINC001138665552 803997276 /nfs/dbraw/zinc/99/72/76/803997276.db2.gz PUTRAFKNHSFIIU-UHFFFAOYSA-N 0 3 289.419 3.378 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC2(COC2)CC1 ZINC001138662699 803997553 /nfs/dbraw/zinc/99/75/53/803997553.db2.gz AENXBFSFWACLQW-UHFFFAOYSA-N 0 3 287.403 3.254 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc(-c3cnccn3)cc2)C1 ZINC001139393054 804185263 /nfs/dbraw/zinc/18/52/63/804185263.db2.gz CKIBYNCEITXDLA-OAHLLOKOSA-N 0 3 292.386 3.269 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)cc1F ZINC001139527152 804201149 /nfs/dbraw/zinc/20/11/49/804201149.db2.gz YYWZKYGVNYPHEB-DZGCQCFKSA-N 0 3 258.340 3.319 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@@H]4CCCO[C@H]4C3)c[nH]c21 ZINC001139704473 804260619 /nfs/dbraw/zinc/26/06/19/804260619.db2.gz VVIYQKDFEMOOMF-GUYCJALGSA-N 0 3 295.386 3.040 20 30 CGEDHN C[C@]1(F)CCCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC001139873171 804306136 /nfs/dbraw/zinc/30/61/36/804306136.db2.gz DAJZDKOFYZQQRT-HNNXBMFYSA-N 0 3 264.319 3.411 20 30 CGEDHN O=C1C=C2CN(Cc3cccc(F)c3Cl)CCC2S1 ZINC001140561011 804459870 /nfs/dbraw/zinc/45/98/70/804459870.db2.gz NGNSEVXEZTYPOY-GFCCVEGCSA-N 0 3 297.782 3.253 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754520 804506197 /nfs/dbraw/zinc/50/61/97/804506197.db2.gz CNQKAXYHWZEIKW-UHFFFAOYSA-N 0 3 250.292 3.234 20 30 CGEDHN Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140782252 804511229 /nfs/dbraw/zinc/51/12/29/804511229.db2.gz QHZULGBBQFIBOR-DVSIDAKKSA-N 0 3 258.340 3.401 20 30 CGEDHN N#CC1CCC(NCC(=O)c2ccc(Cl)cc2)CC1 ZINC001256953962 807014725 /nfs/dbraw/zinc/01/47/25/807014725.db2.gz UNSLTRUXSMEFKG-UHFFFAOYSA-N 0 3 276.767 3.195 20 30 CGEDHN N#CC1CCC(NCc2c(F)cccc2F)CC1 ZINC001256954419 807015231 /nfs/dbraw/zinc/01/52/31/807015231.db2.gz GUTDKHDVMQXCJD-UHFFFAOYSA-N 0 3 250.292 3.137 20 30 CGEDHN N#CC1CCC(N[C@@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001256959687 807016049 /nfs/dbraw/zinc/01/60/49/807016049.db2.gz QEYIXNHVWLZWHH-MMWSSPAHSA-N 0 3 292.329 3.460 20 30 CGEDHN C=CC[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001144020811 804925390 /nfs/dbraw/zinc/92/53/90/804925390.db2.gz IIVAIDJIBLHICP-RDJZCZTQSA-N 0 3 286.419 3.152 20 30 CGEDHN CCCCCN1CCN(Cc2ccc(C#N)cc2CC)CC1 ZINC001248751312 804984445 /nfs/dbraw/zinc/98/44/45/804984445.db2.gz RYYFHQVZEPMACU-UHFFFAOYSA-N 0 3 299.462 3.428 20 30 CGEDHN C=CC[N@@H+](C)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252501 805121543 /nfs/dbraw/zinc/12/15/43/805121543.db2.gz LZFMBHPLNXRKLS-UHFFFAOYSA-N 0 3 259.349 3.194 20 30 CGEDHN C=CC[N@H+](C)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252501 805121548 /nfs/dbraw/zinc/12/15/48/805121548.db2.gz LZFMBHPLNXRKLS-UHFFFAOYSA-N 0 3 259.349 3.194 20 30 CGEDHN N#Cc1ccc2cc(CN3CC[C@@H]4OCCC[C@H]4C3)[nH]c2c1 ZINC001249426326 805146866 /nfs/dbraw/zinc/14/68/66/805146866.db2.gz MIRCUIIBOZQWMZ-YJBOKZPZSA-N 0 3 295.386 3.040 20 30 CGEDHN CCN1CCc2ccc(CN3CCC[C@@H](C#N)CC3)cc21 ZINC001249664616 805206600 /nfs/dbraw/zinc/20/66/00/805206600.db2.gz KFGUHEXBJQSPKO-OAHLLOKOSA-N 0 3 283.419 3.195 20 30 CGEDHN CCCCCCCCCCC(=O)NCCNCCF ZINC001148751591 805208087 /nfs/dbraw/zinc/20/80/87/805208087.db2.gz MZSSFIKRSDTJMS-UHFFFAOYSA-N 0 3 274.424 3.193 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)CCC1 ZINC001154890085 805505772 /nfs/dbraw/zinc/50/57/72/805505772.db2.gz UXSUHSFOCNQCCD-OAHLLOKOSA-N 0 3 290.451 3.208 20 30 CGEDHN CCC[C@H](C)CC[C@H](C)N1CCN(CCC#N)CC1 ZINC001257481912 807177508 /nfs/dbraw/zinc/17/75/08/807177508.db2.gz NAMWGANPUNQDJL-HOTGVXAUSA-N 0 3 265.445 3.123 20 30 CGEDHN CCCCCCC[C@@H](C)N[C@@H](CO)c1ccccn1 ZINC001258040700 807271348 /nfs/dbraw/zinc/27/13/48/807271348.db2.gz GWEVQCAXBYISCX-ZBFHGGJFSA-N 0 3 264.413 3.454 20 30 CGEDHN CCCCCCC[C@H](C)N1CCO[C@H](COC)C1 ZINC001258049517 807275769 /nfs/dbraw/zinc/27/57/69/807275769.db2.gz JULPCABERVUVQL-GJZGRUSLSA-N 0 3 257.418 3.083 20 30 CGEDHN C=CCOC(=O)[C@@H](Nc1c[nH]cc2ccnc1-2)[C@@H](C)CC ZINC001167960029 807285983 /nfs/dbraw/zinc/28/59/83/807285983.db2.gz SUHICLGIYSQZLU-FZMZJTMJSA-N 0 3 287.363 3.119 20 30 CGEDHN COC(=O)C1(C#N)CCN([C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258074187 807291448 /nfs/dbraw/zinc/29/14/48/807291448.db2.gz CLQNJWOWUZVUBB-HUUCEWRRSA-N 0 3 294.439 3.226 20 30 CGEDHN C=C(C)C(=O)OCCNc1ccc2cnc(C)cc2c1 ZINC001168076544 807307042 /nfs/dbraw/zinc/30/70/42/807307042.db2.gz KXAZBTGXBNWMSW-UHFFFAOYSA-N 0 3 270.332 3.074 20 30 CGEDHN CCCCCCCCCCN1CCC(O)(C(=O)OC)CC1 ZINC001168222891 807354274 /nfs/dbraw/zinc/35/42/74/807354274.db2.gz QEYCMVBRAXTRMZ-UHFFFAOYSA-N 0 3 299.455 3.127 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001168542977 807441652 /nfs/dbraw/zinc/44/16/52/807441652.db2.gz RHNUUCYSNORPGM-XJKSGUPXSA-N 0 3 281.346 3.333 20 30 CGEDHN CC[C@@H](C)C[C@@H](CC)NCc1ncc(C#N)s1 ZINC001258785966 807611930 /nfs/dbraw/zinc/61/19/30/807611930.db2.gz YANUBNORXHYDHU-GHMZBOCLSA-N 0 3 251.399 3.319 20 30 CGEDHN CC1(C)CC(NC2(CC#N)CCCC2)CC(C)(C)N1O ZINC001169986998 807734255 /nfs/dbraw/zinc/73/42/55/807734255.db2.gz ALAWYQBFELJIDS-UHFFFAOYSA-N 0 3 279.428 3.213 20 30 CGEDHN C[C@H](NC(=O)[C@H](N)CC1CCCCC1)c1cccc(C#N)c1 ZINC001262047411 807813296 /nfs/dbraw/zinc/81/32/96/807813296.db2.gz OTPJSGCOVJYVNA-SUMWQHHRSA-N 0 3 299.418 3.033 20 30 CGEDHN C#CCC1(NCc2nc(-c3ccccc3)c[nH]2)CCC1 ZINC001262194026 807835394 /nfs/dbraw/zinc/83/53/94/807835394.db2.gz DVFZNWFIWCNZTG-UHFFFAOYSA-N 0 3 265.360 3.112 20 30 CGEDHN Cc1c2[nH]cnc2ccc1NCC#Cc1ccccc1 ZINC001170427347 807839962 /nfs/dbraw/zinc/83/99/62/807839962.db2.gz OIVIPOCTTLJZGT-UHFFFAOYSA-N 0 3 261.328 3.335 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OCCC ZINC001263090555 807932860 /nfs/dbraw/zinc/93/28/60/807932860.db2.gz NYCQSKBNQADGRK-CYBMUJFWSA-N 0 3 294.370 3.237 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)CC1=CCSC1 ZINC001263161318 807937625 /nfs/dbraw/zinc/93/76/25/807937625.db2.gz BTRLSYBEIFLSJD-HNNXBMFYSA-N 0 3 298.496 3.196 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@](C)(CCC)c1ccccc1 ZINC001263246342 807941021 /nfs/dbraw/zinc/94/10/21/807941021.db2.gz NSXBNSPEKFFTLA-GOEBONIOSA-N 0 3 294.826 3.288 20 30 CGEDHN N#Cc1ccccc1CN[C@H]1CCc2cccc(F)c2C1 ZINC001170957809 807945662 /nfs/dbraw/zinc/94/56/62/807945662.db2.gz SGCVVBCEFOAGPQ-INIZCTEOSA-N 0 3 280.346 3.344 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3c(Cl)cccc3C2)CCC1 ZINC001171013195 807960439 /nfs/dbraw/zinc/96/04/39/807960439.db2.gz MYHVXYIQPFWOHZ-CYBMUJFWSA-N 0 3 274.795 3.481 20 30 CGEDHN CCCCC(=O)[C@H](C)N[C@@H](C)Cc1cccc(C#N)c1 ZINC001171190254 808004202 /nfs/dbraw/zinc/00/42/02/808004202.db2.gz QTAOWQLIEGICPC-KBPBESRZSA-N 0 3 272.392 3.227 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H](C)CC)C1 ZINC001263897775 808018476 /nfs/dbraw/zinc/01/84/76/808018476.db2.gz GWRHSQXQQIGWOQ-KWCYVHTRSA-N 0 3 286.847 3.050 20 30 CGEDHN N#Cc1ccccc1CN[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171336307 808030699 /nfs/dbraw/zinc/03/06/99/808030699.db2.gz AYJPQEDUGLBKFF-MRXNPFEDSA-N 0 3 298.336 3.484 20 30 CGEDHN N#C[C@@H]1CCCN([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382714 808040032 /nfs/dbraw/zinc/04/00/32/808040032.db2.gz CYIVQXUHVGLZHR-IUODEOHRSA-N 0 3 290.357 3.448 20 30 CGEDHN N#C[C@H]1CCCN([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171492670 808075425 /nfs/dbraw/zinc/07/54/25/808075425.db2.gz GYTIZTAIUZNXCM-SWLSCSKDSA-N 0 3 290.357 3.448 20 30 CGEDHN N#C[C@@H]1CCCN([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171492668 808076008 /nfs/dbraw/zinc/07/60/08/808076008.db2.gz GYTIZTAIUZNXCM-DOMZBBRYSA-N 0 3 290.357 3.448 20 30 CGEDHN CC1(C#N)CCN([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495154 808076887 /nfs/dbraw/zinc/07/68/87/808076887.db2.gz YBOXMISSNGCNIT-AWEZNQCLSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](CC)C(C)C)[C@H]1CC ZINC001264623788 808082351 /nfs/dbraw/zinc/08/23/51/808082351.db2.gz OXSOPVPDARYHKR-HRCADAONSA-N 0 3 280.456 3.214 20 30 CGEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001265596597 808160060 /nfs/dbraw/zinc/16/00/60/808160060.db2.gz GQIRUUQKYNLOFJ-IAGOWNOFSA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCN[C@H](C)CNC(=O)c1cccc(C2CCCC2)c1 ZINC001265851276 808187679 /nfs/dbraw/zinc/18/76/79/808187679.db2.gz MBYSCHGUSZRHEW-OAHLLOKOSA-N 0 3 298.430 3.075 20 30 CGEDHN C#CCN(C)CCCNC(=O)c1cccc(C2CCCC2)c1 ZINC001265953626 808196016 /nfs/dbraw/zinc/19/60/16/808196016.db2.gz CQHIQUDUIUMGSP-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=C)Cl ZINC001265998874 808201067 /nfs/dbraw/zinc/20/10/67/808201067.db2.gz VUPPTBSJSYAIMG-CABCVRRESA-N 0 3 298.858 3.454 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001266242984 808232420 /nfs/dbraw/zinc/23/24/20/808232420.db2.gz KEYQDFUKVPEFPB-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN CCCCCCC[C@H](CC)N[C@@H]1C=CS(=O)(=O)C1 ZINC001172345878 808244768 /nfs/dbraw/zinc/24/47/68/808244768.db2.gz DUUPKVVUNZWKFR-UONOGXRCSA-N 0 3 273.442 3.026 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001266336476 808245172 /nfs/dbraw/zinc/24/51/72/808245172.db2.gz QFERROWKVZFBDD-DOTOQJQBSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1csc2ccccc21 ZINC001266405841 808257201 /nfs/dbraw/zinc/25/72/01/808257201.db2.gz IYQMINYMBVDLMF-UHFFFAOYSA-N 0 3 288.416 3.139 20 30 CGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001266480939 808274481 /nfs/dbraw/zinc/27/44/81/808274481.db2.gz BPEGWTSBDJJUHE-YPFPCPGCSA-N 0 3 290.451 3.374 20 30 CGEDHN C[C@@H](CCCC#N)N1CCc2ncc(Cl)cc2C1 ZINC001172498498 808356518 /nfs/dbraw/zinc/35/65/18/808356518.db2.gz NPOSNZLJGNXGJM-NSHDSACASA-N 0 3 263.772 3.175 20 30 CGEDHN CCCCCCC[C@H](CCC)n1nncc1CN ZINC001172503010 808358351 /nfs/dbraw/zinc/35/83/51/808358351.db2.gz VOOOLIKUZINZPV-ZDUSSCGKSA-N 0 3 252.406 3.439 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001172503162 808358634 /nfs/dbraw/zinc/35/86/34/808358634.db2.gz YGQAZLFOIIWADW-IRXDYDNUSA-N 0 3 285.435 3.448 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)CCC)c1ccccc1 ZINC001267350130 808420525 /nfs/dbraw/zinc/42/05/25/808420525.db2.gz ADGVBFSFJSMFEA-ZBFHGGJFSA-N 0 3 274.408 3.056 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C[C@H]1C=CCCC1)c1ccccc1 ZINC001267362745 808421446 /nfs/dbraw/zinc/42/14/46/808421446.db2.gz VMGPKLSITJNDQX-WMZOPIPTSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)c1ccco1)c1ccccc1 ZINC001267523821 808439787 /nfs/dbraw/zinc/43/97/87/808439787.db2.gz XHYPYLWHICZWJB-ZBFHGGJFSA-N 0 3 298.386 3.016 20 30 CGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC(C)C)CCCC1 ZINC001267717031 808476047 /nfs/dbraw/zinc/47/60/47/808476047.db2.gz VVUFSKLCGGLGBF-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001267741498 808480310 /nfs/dbraw/zinc/48/03/10/808480310.db2.gz ALLJXEFCEPMFAX-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001267789096 808494133 /nfs/dbraw/zinc/49/41/33/808494133.db2.gz FNHFVUGDSRBRLT-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC(C)(C)C(=O)NCCC1CCN(C[C@@H](F)CC)CC1 ZINC001267945449 808519062 /nfs/dbraw/zinc/51/90/62/808519062.db2.gz LEVQQUMXIWFWJQ-HNNXBMFYSA-N 0 3 298.446 3.165 20 30 CGEDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C#N ZINC001173219135 808539706 /nfs/dbraw/zinc/53/97/06/808539706.db2.gz XGVPPMRSZXZHQV-ZDUSSCGKSA-N 0 3 295.342 3.187 20 30 CGEDHN CCCCCCCC[C@H](CCC)N1CCO[C@H](C(N)=O)C1 ZINC001173309696 808605624 /nfs/dbraw/zinc/60/56/24/808605624.db2.gz JSAPXVPIVGQTSB-HOTGVXAUSA-N 0 3 298.471 3.092 20 30 CGEDHN C=CCOC1CCC(N2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001173321356 808611724 /nfs/dbraw/zinc/61/17/24/808611724.db2.gz JIWVXVLSBALTSZ-PFSRBDOWSA-N 0 3 273.367 3.272 20 30 CGEDHN Cc1cccc2c1[C@H](NC1CCC(CC#N)CC1)C(=O)N2 ZINC001173325791 808612505 /nfs/dbraw/zinc/61/25/05/808612505.db2.gz NRKNJPLZROOZRU-ZUEPYMLJSA-N 0 3 283.375 3.050 20 30 CGEDHN CC(=O)[C@@H](NC1CCC(CC#N)CC1)c1ccccc1 ZINC001173327509 808614375 /nfs/dbraw/zinc/61/43/75/808614375.db2.gz DHAXWDOGMLTVAA-BDVYOWHSSA-N 0 3 270.376 3.379 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)CCCCC(C)(C)C ZINC001268731537 808618033 /nfs/dbraw/zinc/61/80/33/808618033.db2.gz OCWKFENONQBHAN-AWEZNQCLSA-N 0 3 268.445 3.215 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001269069406 808645596 /nfs/dbraw/zinc/64/55/96/808645596.db2.gz NDRXQDOBSJAFHL-CVEARBPZSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001269293340 808665455 /nfs/dbraw/zinc/66/54/55/808665455.db2.gz WXDKNSMQYPADAK-UONOGXRCSA-N 0 3 292.448 3.008 20 30 CGEDHN C#CCCCCC(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001269317915 808669498 /nfs/dbraw/zinc/66/94/98/808669498.db2.gz HOBGTVDCQHROIO-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(C)CCC(=O)N(C)CCN(C)CCc1cccs1 ZINC001272027998 808793151 /nfs/dbraw/zinc/79/31/51/808793151.db2.gz PEDLKVWGOISHTD-UHFFFAOYSA-N 0 3 294.464 3.037 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C(C)(C)CCC ZINC001272994523 808830229 /nfs/dbraw/zinc/83/02/29/808830229.db2.gz PDVZJZHFKGNUIJ-GFCCVEGCSA-N 0 3 274.836 3.050 20 30 CGEDHN C=CCCCN1CCCC[C@@]12CC(=O)N([C@@H](C)CC)C2 ZINC001273486905 808848215 /nfs/dbraw/zinc/84/82/15/808848215.db2.gz RJFPVGAKCVNDRN-RDJZCZTQSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(C1CCCC1)C2 ZINC001273487645 808848433 /nfs/dbraw/zinc/84/84/33/808848433.db2.gz NPMPRRNNEQTCRI-SFHVURJKSA-N 0 3 290.451 3.352 20 30 CGEDHN CC#CCNCCN(CC)C(=O)C(C)(C)C1CCCCC1 ZINC001273652576 808857295 /nfs/dbraw/zinc/85/72/95/808857295.db2.gz FMEFPTLZRBZDRF-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CNCc1ccccc1F ZINC001274906490 808892415 /nfs/dbraw/zinc/89/24/15/808892415.db2.gz CYVNPKXOICNUFC-DYVFJYSZSA-N 0 3 292.398 3.022 20 30 CGEDHN Cc1cnccc1Nc1c(F)cc(C#N)cc1Cl ZINC001174539374 809071142 /nfs/dbraw/zinc/07/11/42/809071142.db2.gz DCNVBXGCSYEEMH-UHFFFAOYSA-N 0 3 261.687 3.220 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001278645146 809147999 /nfs/dbraw/zinc/14/79/99/809147999.db2.gz NPLJXSZLDYQODL-KGLIPLIRSA-N 0 3 298.446 3.163 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1sccc1C)C(C)C ZINC001278889120 809154029 /nfs/dbraw/zinc/15/40/29/809154029.db2.gz LTVLOXJVLJBRLL-UHFFFAOYSA-N 0 3 294.464 3.415 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)CC(C)C)C[C@@H]1C ZINC001281684735 809217720 /nfs/dbraw/zinc/21/77/20/809217720.db2.gz KFPDUSHCWOAAGC-HOTGVXAUSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001282280606 809239764 /nfs/dbraw/zinc/23/97/64/809239764.db2.gz XKNLJJHXZWZFRI-CQSZACIVSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001282666165 809258510 /nfs/dbraw/zinc/25/85/10/809258510.db2.gz JIWFZOWVQAIJBB-WMZOPIPTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CC=C(C)C)[C@H]1C ZINC001284128892 809298309 /nfs/dbraw/zinc/29/83/09/809298309.db2.gz DXQPKYYTMWSDSX-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCC(C)CC2)CCCCC1 ZINC001290898872 809418315 /nfs/dbraw/zinc/41/83/15/809418315.db2.gz DUXVZVVWOYSYOE-UHFFFAOYSA-N 0 3 292.467 3.361 20 30 CGEDHN C#CCC1(NCc2nc3ccccc3[nH]2)CCCCC1 ZINC001176434026 809696013 /nfs/dbraw/zinc/69/60/13/809696013.db2.gz ZJNHBLILQMMUOE-UHFFFAOYSA-N 0 3 267.376 3.379 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CCCC)C(C)C ZINC001177084549 809779032 /nfs/dbraw/zinc/77/90/32/809779032.db2.gz VHBCCRYIEPDBLH-AWEZNQCLSA-N 0 3 288.863 3.297 20 30 CGEDHN C=C(CNCc1cncc(OC)c1C)c1ccccc1 ZINC001177687627 809815662 /nfs/dbraw/zinc/81/56/62/809815662.db2.gz DULMWNNQLOEWFH-UHFFFAOYSA-N 0 3 268.360 3.202 20 30 CGEDHN CCCCCCC[C@H](C)C(=O)N1CCN2CCC1CC2 ZINC001181122065 810038988 /nfs/dbraw/zinc/03/89/88/810038988.db2.gz KBEBZTMWWCCWBW-HNNXBMFYSA-N 0 3 280.456 3.290 20 30 CGEDHN N#Cc1c(F)cccc1CNC1(CO)CCCCCCC1 ZINC001183410885 810148365 /nfs/dbraw/zinc/14/83/65/810148365.db2.gz WXBXCXQAYPQSLB-UHFFFAOYSA-N 0 3 290.382 3.262 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC2(C=C)CCCCC2)C1 ZINC001192818774 810822700 /nfs/dbraw/zinc/82/27/00/810822700.db2.gz RNLRHVUOJUJGHW-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](NCc2cc(C#N)ccn2)C1(C)C ZINC001194193617 811031998 /nfs/dbraw/zinc/03/19/98/811031998.db2.gz VOSPDASGFWPZND-HZPDHXFCSA-N 0 3 287.407 3.027 20 30 CGEDHN CCCCCCCCN1CCCC[C@]12CC(=O)N(C)C2 ZINC001201814366 811968302 /nfs/dbraw/zinc/96/83/02/811968302.db2.gz OJLVJKRNLGITHC-QGZVFWFLSA-N 0 3 280.456 3.434 20 30 CGEDHN CCCCCCCCN1CCS[C@@H](C(=O)OCC)C1 ZINC001201839781 811970287 /nfs/dbraw/zinc/97/02/87/811970287.db2.gz JCXGTYOPCUGYLB-CQSZACIVSA-N 0 3 287.469 3.327 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001202980585 812213355 /nfs/dbraw/zinc/21/33/55/812213355.db2.gz VNTRJDGUNLKUTP-UONOGXRCSA-N 0 3 296.842 3.112 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](C(F)F)C2)c1 ZINC001203762216 812458402 /nfs/dbraw/zinc/45/84/02/812458402.db2.gz AQSDFJANYUCUCL-CYBMUJFWSA-N 0 3 250.292 3.035 20 30 CGEDHN N#Cc1ccn(-c2cccc(CN3CCCCC3)c2F)c1N ZINC001215675452 815557806 /nfs/dbraw/zinc/55/78/06/815557806.db2.gz HWRZWXWYQLECPN-UHFFFAOYSA-N 0 3 298.365 3.056 20 30 CGEDHN CC[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[O-] ZINC001205496886 812991216 /nfs/dbraw/zinc/99/12/16/812991216.db2.gz XKWZAODIIFGAII-UHFFFAOYSA-N 0 3 284.334 3.425 20 30 CGEDHN CC[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[O-] ZINC001205496886 812991223 /nfs/dbraw/zinc/99/12/23/812991223.db2.gz XKWZAODIIFGAII-UHFFFAOYSA-N 0 3 284.334 3.425 20 30 CGEDHN O=C1C=C2CN(Cc3cc(Cl)ccc3F)CCC2S1 ZINC001206007399 813162328 /nfs/dbraw/zinc/16/23/28/813162328.db2.gz PXMKDNSNFSMKSC-ZDUSSCGKSA-N 0 3 297.782 3.253 20 30 CGEDHN CC[C@H]1c2ccccc2CCN1Cc1cc(C#N)n(C)c1 ZINC001207108447 813486955 /nfs/dbraw/zinc/48/69/55/813486955.db2.gz BGRHLUBAGGKWPJ-SFHVURJKSA-N 0 3 279.387 3.406 20 30 CGEDHN CCCCN(CCC#N)C[C@H]1CCOC(C)(C)C1 ZINC001207355776 813549107 /nfs/dbraw/zinc/54/91/07/813549107.db2.gz FSLUBCBJWMXVSO-AWEZNQCLSA-N 0 3 252.402 3.207 20 30 CGEDHN C[C@@]1(F)CCCN(CCCc2cccc(C#N)c2)C1 ZINC001208844464 813864437 /nfs/dbraw/zinc/86/44/37/813864437.db2.gz IGIVYJHXNMUXDU-MRXNPFEDSA-N 0 3 260.356 3.315 20 30 CGEDHN C[C@]1(F)CCCN(CCCc2ccc(C#N)cc2)C1 ZINC001208857215 813870296 /nfs/dbraw/zinc/87/02/96/813870296.db2.gz XWVILNSFKROXNR-INIZCTEOSA-N 0 3 260.356 3.315 20 30 CGEDHN CN1CC=C(Nc2cccc(C(C)(C)C#N)c2)CC1 ZINC001208859605 813871465 /nfs/dbraw/zinc/87/14/65/813871465.db2.gz WBCJEIVMTQOPEJ-UHFFFAOYSA-N 0 3 255.365 3.119 20 30 CGEDHN Cc1c(Cl)c(C#N)ccc1NC1=CCN(C)CC1 ZINC001208910599 813897485 /nfs/dbraw/zinc/89/74/85/813897485.db2.gz PULHZSFSVXYUEI-UHFFFAOYSA-N 0 3 261.756 3.151 20 30 CGEDHN C=CCCCCN1Cc2cnn(CC)c2[C@H](COCC)C1 ZINC001209200819 813964261 /nfs/dbraw/zinc/96/42/61/813964261.db2.gz PHJZWIBTTCLFFO-INIZCTEOSA-N 0 3 291.439 3.195 20 30 CGEDHN C=CCCCCCN1CC2(C1)CN(c1ccccc1)C2=O ZINC001209427516 814028247 /nfs/dbraw/zinc/02/82/47/814028247.db2.gz RIFUAYWCAFFKTR-UHFFFAOYSA-N 0 3 284.403 3.082 20 30 CGEDHN C=CCCCCCCN1CCN(Cc2cccnc2)CC1 ZINC001209431761 814031487 /nfs/dbraw/zinc/03/14/87/814031487.db2.gz SCPRKVJPDDBIBB-UHFFFAOYSA-N 0 3 287.451 3.336 20 30 CGEDHN C=CCCCCCCCCN1C[C@@H](F)C[C@H]1CO ZINC001209442236 814042753 /nfs/dbraw/zinc/04/27/53/814042753.db2.gz CDZLVOIKGPGKCF-GJZGRUSLSA-N 0 3 257.393 3.308 20 30 CGEDHN CCN1CCc2cc(C3=CC(=O)C[C@H](C)C3)ccc2C1 ZINC001242740056 823117687 /nfs/dbraw/zinc/11/76/87/823117687.db2.gz VAVXRFIPCBIHIK-CYBMUJFWSA-N 0 3 269.388 3.447 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCCCCCC)C1 ZINC001210547641 814518849 /nfs/dbraw/zinc/51/88/49/814518849.db2.gz RKDYSJPDKZLVJL-HZPDHXFCSA-N 0 3 280.456 3.360 20 30 CGEDHN C[C@@H]1CC(=O)C=C(Nc2cnccc2N2CCCCC2)C1 ZINC001210772163 814618542 /nfs/dbraw/zinc/61/85/42/814618542.db2.gz ZFTFKJKMNUWTKM-ZDUSSCGKSA-N 0 3 285.391 3.367 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)OC[C@H]1COC(C)(C)N1 ZINC001217888904 815990742 /nfs/dbraw/zinc/99/07/42/815990742.db2.gz GZRZVTCOLFUJPS-KBPBESRZSA-N 0 3 291.391 3.054 20 30 CGEDHN C=C1CC[NH2+]C[C@@H]1Oc1ccccc1Oc1ccccc1[O-] ZINC001218206308 816127815 /nfs/dbraw/zinc/12/78/15/816127815.db2.gz AQYPTRHTFANUSP-SFHVURJKSA-N 0 3 297.354 3.481 20 30 CGEDHN CC(C)c1c(C#N)cccc1O[C@@H]1CNCCC1(F)F ZINC001218455078 816221624 /nfs/dbraw/zinc/22/16/24/816221624.db2.gz IXKGHPONLWLQIR-CYBMUJFWSA-N 0 3 280.318 3.058 20 30 CGEDHN N#Cc1cccc(Cl)c1O[C@H]1CNCc2ccccc21 ZINC001218488633 816243385 /nfs/dbraw/zinc/24/33/85/816243385.db2.gz KRBLOAHTMOMJAW-HNNXBMFYSA-N 0 3 284.746 3.435 20 30 CGEDHN Cc1c(C#N)cccc1O[C@@H]1CNCc2ccccc21 ZINC001218487934 816244352 /nfs/dbraw/zinc/24/43/52/816244352.db2.gz QDLWIFOBEHWWQX-QGZVFWFLSA-N 0 3 264.328 3.090 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1sccc1C(C)=O ZINC001218640125 816249102 /nfs/dbraw/zinc/24/91/02/816249102.db2.gz JOIKHUXHBZEUPE-ZDUSSCGKSA-N 0 3 294.420 3.353 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@](C)(F)CCCC)C[C@@H]21 ZINC001223012459 816552621 /nfs/dbraw/zinc/55/26/21/816552621.db2.gz CZMOIBCHAHTADJ-HLLBOEOZSA-N 0 3 296.430 3.014 20 30 CGEDHN C#CCN1CCC(CNC(=O)CCC[C@H](C)CCC)CC1 ZINC001223320538 816605092 /nfs/dbraw/zinc/60/50/92/816605092.db2.gz LUSTWXMITPANSS-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224198637 816752863 /nfs/dbraw/zinc/75/28/63/816752863.db2.gz RYUQKGKCBXAQQA-HOCLYGCPSA-N 0 3 298.446 3.165 20 30 CGEDHN CCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224569836 816828090 /nfs/dbraw/zinc/82/80/90/816828090.db2.gz APPCVUDQYLJTDO-IMJJTQAJSA-N 0 3 267.413 3.168 20 30 CGEDHN COc1cccc2c(CN3CCC[C@@H](CC#N)C3)c[nH]c21 ZINC001231899986 818207304 /nfs/dbraw/zinc/20/73/04/818207304.db2.gz AZDXBOWDRGWPFH-ZDUSSCGKSA-N 0 3 283.375 3.302 20 30 CGEDHN COc1ccccc1C[C@H](C)N(C)Cc1cc(C#N)ccn1 ZINC001232480047 818365075 /nfs/dbraw/zinc/36/50/75/818365075.db2.gz GWRJGPZYKKRQRX-AWEZNQCLSA-N 0 3 295.386 3.025 20 30 CGEDHN COc1cccc(C)c1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232626260 818403373 /nfs/dbraw/zinc/40/33/73/818403373.db2.gz XRELGLWRGJCOSL-QKDCVEJESA-N 0 3 270.376 3.270 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cnc(OC)c3ccccc23)C1 ZINC001232951327 818481184 /nfs/dbraw/zinc/48/11/84/818481184.db2.gz GEGHMGBJDGOVED-AWEZNQCLSA-N 0 3 280.371 3.089 20 30 CGEDHN Cc1ccc(CN2CC[C@H](COCC3CC3)C2)c(C#N)c1 ZINC001232967614 818485192 /nfs/dbraw/zinc/48/51/92/818485192.db2.gz SERMBSODAUVZIY-INIZCTEOSA-N 0 3 284.403 3.115 20 30 CGEDHN N#Cc1cc(O[C@H]2CN3CCC2CC3)cc(C(F)(F)F)c1 ZINC001233657393 818672626 /nfs/dbraw/zinc/67/26/26/818672626.db2.gz VUPCDHQIXIPQBZ-AWEZNQCLSA-N 0 3 296.292 3.050 20 30 CGEDHN C[NH+](C)CC[C@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234144876 818790072 /nfs/dbraw/zinc/79/00/72/818790072.db2.gz WSFSTOCZWDBZDI-SFHVURJKSA-N 0 3 296.370 3.336 20 30 CGEDHN CN1CCc2c(cccc2O[C@H](C#N)c2ccccc2F)C1 ZINC001234424463 818851573 /nfs/dbraw/zinc/85/15/73/818851573.db2.gz QMEWJAKWALXEBF-GOSISDBHSA-N 0 3 296.345 3.457 20 30 CGEDHN CN1CCc2c(cccc2O[C@@H](C#N)c2ccccc2F)C1 ZINC001234424464 818852431 /nfs/dbraw/zinc/85/24/31/818852431.db2.gz QMEWJAKWALXEBF-SFHVURJKSA-N 0 3 296.345 3.457 20 30 CGEDHN C#C[C@H](Oc1cccc2c1CCN(C)C2)c1ccccc1 ZINC001234425155 818853599 /nfs/dbraw/zinc/85/35/99/818853599.db2.gz VOPUEZIRMFFGSV-SFHVURJKSA-N 0 3 277.367 3.428 20 30 CGEDHN C=CCN(C)Cc1ccc(Br)c(OCC)c1 ZINC001235449831 819101471 /nfs/dbraw/zinc/10/14/71/819101471.db2.gz QXEGNEGOKWZAKL-UHFFFAOYSA-N 0 3 284.197 3.466 20 30 CGEDHN C[C@@]1(F)CCCCN(Cc2ccccc2CC#N)C1 ZINC001235510476 819113279 /nfs/dbraw/zinc/11/32/79/819113279.db2.gz BFNSXIIBCIIIQH-MRXNPFEDSA-N 0 3 260.356 3.467 20 30 CGEDHN C#CC1CCN(Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235517025 819114034 /nfs/dbraw/zinc/11/40/34/819114034.db2.gz SMYVAXUVLLMCQI-UHFFFAOYSA-N 0 3 273.767 3.062 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001236914890 819636842 /nfs/dbraw/zinc/63/68/42/819636842.db2.gz WNFXNIDXEDPNNQ-CQSZACIVSA-N 0 3 299.805 3.371 20 30 CGEDHN Fc1ccc(CN2CCC(S)CC2)cc1N1CCCC1 ZINC001237094613 819665321 /nfs/dbraw/zinc/66/53/21/819665321.db2.gz DVSCLQBPOLSBQN-UHFFFAOYSA-N 0 3 294.439 3.320 20 30 CGEDHN C=CCCN(Cc1ccccc1)Cc1cccc(C(N)=O)c1 ZINC001237695759 819808840 /nfs/dbraw/zinc/80/88/40/819808840.db2.gz OWODCIJOFUSZTC-UHFFFAOYSA-N 0 3 294.398 3.364 20 30 CGEDHN CN(Cc1ccc(Cl)c(C#N)c1)C[C@H]1CCCCO1 ZINC001238194690 819952961 /nfs/dbraw/zinc/95/29/61/819952961.db2.gz RHTYNXFSHXGTFF-CQSZACIVSA-N 0 3 278.783 3.213 20 30 CGEDHN C=CCN(C)Cc1cc(Br)cc(OCC)c1 ZINC001238253145 819968384 /nfs/dbraw/zinc/96/83/84/819968384.db2.gz VKKYEGOLKVZAPE-UHFFFAOYSA-N 0 3 284.197 3.466 20 30 CGEDHN CCc1cc(CN(C)C[C@H]2CCCCO2)ccc1C#N ZINC001238778106 820116967 /nfs/dbraw/zinc/11/69/67/820116967.db2.gz KNKJDVFOVJLEHC-QGZVFWFLSA-N 0 3 272.392 3.122 20 30 CGEDHN N#Cc1ncccc1-c1ccc(CN2CCCC2)c(F)c1 ZINC001242313174 822948147 /nfs/dbraw/zinc/94/81/47/822948147.db2.gz UCGBGGQHOWYAJW-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC001340748018 936413040 /nfs/dbraw/zinc/41/30/40/936413040.db2.gz OCSSEMQHMUSLOI-OAHLLOKOSA-N 0 3 299.374 3.272 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(-c2ncco2)ccc1C ZINC001341014125 936424089 /nfs/dbraw/zinc/42/40/89/936424089.db2.gz WNWFVZGQEAFXPC-CQSZACIVSA-N 0 3 299.374 3.272 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(COC(C)C)cc1 ZINC001341372868 936436092 /nfs/dbraw/zinc/43/60/92/936436092.db2.gz NHAAKILSYCVMDT-INIZCTEOSA-N 0 3 290.407 3.234 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1c(C)oc2ccccc21 ZINC001341908691 936454282 /nfs/dbraw/zinc/45/42/82/936454282.db2.gz HEQFBPXZTSXLHJ-HNNXBMFYSA-N 0 3 286.375 3.041 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC2(C)CC2)c1 ZINC001342717708 936476097 /nfs/dbraw/zinc/47/60/97/936476097.db2.gz OSZBQGCFCDJIII-CQSZACIVSA-N 0 3 284.359 3.223 20 30 CGEDHN N#CC(C(=O)CCCc1ccccc1)c1cccc(F)n1 ZINC001344587507 936539374 /nfs/dbraw/zinc/53/93/74/936539374.db2.gz RQKHAIDKSAHNOF-CQSZACIVSA-N 0 3 282.318 3.420 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCC1CCCCC1 ZINC001344875527 936547633 /nfs/dbraw/zinc/54/76/33/936547633.db2.gz UAWRSLQJOXRYKL-AWEZNQCLSA-N 0 3 273.380 3.440 20 30 CGEDHN Cc1ncccc1CNC1CC(C#N)(c2ccccc2)C1 ZINC001348387667 936919372 /nfs/dbraw/zinc/91/93/72/936919372.db2.gz MYQDLSMOUJKNDF-UHFFFAOYSA-N 0 3 277.371 3.104 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccccc1F ZINC001349703451 936958981 /nfs/dbraw/zinc/95/89/81/936958981.db2.gz XKLCAJIUMNJAFN-TZMCWYRMSA-N 0 3 299.349 3.412 20 30 CGEDHN C=CCN(C)CCNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001480896238 926759876 /nfs/dbraw/zinc/75/98/76/926759876.db2.gz NALMBPWSWMZWEL-UHFFFAOYSA-N 0 3 280.456 3.073 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](CC)CC1CCCC1 ZINC001480920780 926795130 /nfs/dbraw/zinc/79/51/30/926795130.db2.gz XIEWGLISOKOVEM-INIZCTEOSA-N 0 3 280.456 3.217 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CC=C(C)C)CCC1 ZINC001481058358 926876539 /nfs/dbraw/zinc/87/65/39/926876539.db2.gz WUMBPIMZUYEPEN-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CC ZINC001481671934 927050252 /nfs/dbraw/zinc/05/02/52/927050252.db2.gz LCRZDOGWFQZTTN-ULQDDVLXSA-N 0 3 292.467 3.454 20 30 CGEDHN C/C=C/COc1ccc(CC[C@H](C)NCCC#N)cc1 ZINC000426001295 927111623 /nfs/dbraw/zinc/11/16/23/927111623.db2.gz KNQJUHQFBANPIK-BWPKMQGJSA-N 0 3 272.392 3.466 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCCF)C1CCCCC1 ZINC001482410535 927233466 /nfs/dbraw/zinc/23/34/66/927233466.db2.gz MCHPKCJTCXBWTO-HNNXBMFYSA-N 0 3 298.446 3.213 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCC12CC2)C(C)C ZINC001482537546 927281972 /nfs/dbraw/zinc/28/19/72/927281972.db2.gz MKWUZAMUZXJJIK-KBPBESRZSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001482652898 927338866 /nfs/dbraw/zinc/33/88/66/927338866.db2.gz HVHYRDWCIHPDNR-QGZVFWFLSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCCC(=O)NC/C=C/CNCc1ccc(Cl)cc1 ZINC001482988530 927387348 /nfs/dbraw/zinc/38/73/48/927387348.db2.gz OVNXNFCXQMBVPG-SNAWJCMRSA-N 0 3 292.810 3.068 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001483212844 927441898 /nfs/dbraw/zinc/44/18/98/927441898.db2.gz FQRZIPCLUTYWQA-NWDGAFQWSA-N 0 3 296.361 3.086 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)C/C=C/c1ccc(C)cc1 ZINC001483431369 927506827 /nfs/dbraw/zinc/50/68/27/927506827.db2.gz SMJQRRYLZGGGRG-FYCOFBDGSA-N 0 3 286.419 3.021 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](CC)CC1CCCC1 ZINC001483692928 927578623 /nfs/dbraw/zinc/57/86/23/927578623.db2.gz BOWGURDSGCRVGR-IAGOWNOFSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC1(C(=O)NCC2(NC[C@@H](F)CC)CC2)CCCC1 ZINC001483795930 927626251 /nfs/dbraw/zinc/62/62/51/927626251.db2.gz KUSXITKGMUNQQM-AWEZNQCLSA-N 0 3 296.430 3.109 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001484173484 927682905 /nfs/dbraw/zinc/68/29/05/927682905.db2.gz KDUXFRIWJBAOIQ-AEFFLSMTSA-N 0 3 294.483 3.463 20 30 CGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)CSC(C)C ZINC001485473597 927876604 /nfs/dbraw/zinc/87/66/04/927876604.db2.gz FZXVQPIDWXMRFP-HNNXBMFYSA-N 0 3 298.496 3.065 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001485694198 927904507 /nfs/dbraw/zinc/90/45/07/927904507.db2.gz AMHZVZZYKLLSTM-MXAVVETBSA-N 0 3 298.858 3.050 20 30 CGEDHN C[C@@H](CCCC#N)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001172485883 928221905 /nfs/dbraw/zinc/22/19/05/928221905.db2.gz VFCAFNZEFJOWGP-GWCFXTLKSA-N 0 3 280.318 3.460 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001364994063 937234617 /nfs/dbraw/zinc/23/46/17/937234617.db2.gz MXFPWQXZRCDQOY-LBPRGKRZSA-N 0 3 299.349 3.205 20 30 CGEDHN CC(C)(C)c1ccc2c(c1)CCN(CCOCCC#N)C2 ZINC001327800305 928708749 /nfs/dbraw/zinc/70/87/49/928708749.db2.gz JUALXPCCOQIMFL-UHFFFAOYSA-N 0 3 286.419 3.272 20 30 CGEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@@H](O)c1ccccc1 ZINC000903086067 928768616 /nfs/dbraw/zinc/76/86/16/928768616.db2.gz BSCNKRWOOJERQK-SKDZVZGDSA-N 0 3 295.386 3.116 20 30 CGEDHN C=C1CCC(CNC(=O)[C@@H]2CCCCN2CCC)CC1 ZINC001455550049 937419050 /nfs/dbraw/zinc/41/90/50/937419050.db2.gz ZEAVEVDIBDGNHC-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001459605593 937493178 /nfs/dbraw/zinc/49/31/78/937493178.db2.gz CAHVLDZEDBXRKP-MRXNPFEDSA-N 0 3 258.409 3.390 20 30 CGEDHN CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC001459984208 937510574 /nfs/dbraw/zinc/51/05/74/937510574.db2.gz MPOXMYFKMYVGLE-KCQAQPDRSA-N 0 3 285.391 3.006 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC001460364893 937528234 /nfs/dbraw/zinc/52/82/34/937528234.db2.gz VDSPOSOTOQIVQT-KBPBESRZSA-N 0 3 267.413 3.395 20 30 CGEDHN C=CC[C@H]1CCCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC001460364775 937528318 /nfs/dbraw/zinc/52/83/18/937528318.db2.gz SUAJZTGWCGJTPR-HNNXBMFYSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN(CC(=O)N(C)[C@@H](C)CC(C)C)C(C)(C)C ZINC001460459610 937532191 /nfs/dbraw/zinc/53/21/91/937532191.db2.gz SBLGHJMDZZPOOT-AWEZNQCLSA-N 0 3 268.445 3.166 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(C)c(Cl)n2)C1 ZINC001460522151 937533797 /nfs/dbraw/zinc/53/37/97/937533797.db2.gz MNXKRVHXYIQHLY-LBPRGKRZSA-N 0 3 250.773 3.441 20 30 CGEDHN C[C@H](COCc1ccccc1)CN(C)[C@H]1CCC[C@@H]1C#N ZINC001460603153 937536019 /nfs/dbraw/zinc/53/60/19/937536019.db2.gz AXOJKSZFDGNRCL-JQHSSLGASA-N 0 3 286.419 3.463 20 30 CGEDHN C=C(CC)CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001460690150 937540557 /nfs/dbraw/zinc/54/05/57/937540557.db2.gz GZOZNKKEFGSTLU-ZIAGYGMSSA-N 0 3 287.325 3.077 20 30 CGEDHN C[C@H]1Cc2n[nH]cc2CN(CCCCC2(C#N)CCC2)C1 ZINC001460781785 937544767 /nfs/dbraw/zinc/54/47/67/937544767.db2.gz ZANIBGONGAXGEQ-AWEZNQCLSA-N 0 3 286.423 3.268 20 30 CGEDHN N#CC1(CCN2CC[C@@H](c3cnccn3)C2)CCCCC1 ZINC001460860146 937549995 /nfs/dbraw/zinc/54/99/95/937549995.db2.gz PJNUHPZRIGZNJA-OAHLLOKOSA-N 0 3 284.407 3.130 20 30 CGEDHN C#CCC1(NCc2cc(F)ccc2OC(F)F)CCC1 ZINC001460821538 937547024 /nfs/dbraw/zinc/54/70/24/937547024.db2.gz RPRUSKSUHIDICT-UHFFFAOYSA-N 0 3 283.293 3.463 20 30 CGEDHN CN1CCC[C@@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228997054 932068741 /nfs/dbraw/zinc/06/87/41/932068741.db2.gz WJUMZTWUUWPSLE-CQSZACIVSA-N 0 3 272.392 3.329 20 30 CGEDHN CC(C)N1CCC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229251567 932123738 /nfs/dbraw/zinc/12/37/38/932123738.db2.gz ZHXDSJKVEMYMKB-ZDUSSCGKSA-N 0 3 278.783 3.463 20 30 CGEDHN C=CC[C@@H](NCc1ccc2nccnc2c1)c1ccncc1 ZINC001461220549 937570188 /nfs/dbraw/zinc/57/01/88/937570188.db2.gz ROHMKCMVCCWAHP-MRXNPFEDSA-N 0 3 290.370 3.432 20 30 CGEDHN C=CC[C@@H](NCc1ccc(OC)cc1)c1ccncc1 ZINC001461221632 937570212 /nfs/dbraw/zinc/57/02/12/937570212.db2.gz ZVRYRHSVURYVPE-QGZVFWFLSA-N 0 3 268.360 3.497 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001229583477 932176259 /nfs/dbraw/zinc/17/62/59/932176259.db2.gz LQMNZEPDRWUKFU-UONOGXRCSA-N 0 3 280.456 3.071 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(C#N)s1 ZINC001461587555 937587186 /nfs/dbraw/zinc/58/71/86/937587186.db2.gz AQNHLBOZRKNNHA-UHFFFAOYSA-N 0 3 281.384 3.398 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)C[C@H](C)CC(C)(C)C ZINC001492432808 932817719 /nfs/dbraw/zinc/81/77/19/932817719.db2.gz VFQNAUSALBBCBC-AWEZNQCLSA-N 0 3 268.445 3.073 20 30 CGEDHN CO[C@]1(C)C[C@@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001307778319 933000027 /nfs/dbraw/zinc/00/00/27/933000027.db2.gz JFBWINZLPKQLOZ-NVXWUHKLSA-N 0 3 291.822 3.485 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(F)cc1Cl)C(C)(C)C ZINC001308087713 933047102 /nfs/dbraw/zinc/04/71/02/933047102.db2.gz HGDHBOOJVNLDHY-AWEZNQCLSA-N 0 3 283.774 3.246 20 30 CGEDHN C=CC(C)(C)CCCNCc1cn(Cc2ccccc2)nn1 ZINC001308510179 933123472 /nfs/dbraw/zinc/12/34/72/933123472.db2.gz OICIKIOAYBIQQX-UHFFFAOYSA-N 0 3 298.434 3.408 20 30 CGEDHN C=CCC[C@@H](C)N[C@H](CC(N)=O)c1ccccc1Cl ZINC001308674306 933155073 /nfs/dbraw/zinc/15/50/73/933155073.db2.gz ODQVRRWOIQPDIJ-BXUZGUMPSA-N 0 3 280.799 3.201 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccc(OCC)c(F)c2)C1 ZINC001308831249 933185793 /nfs/dbraw/zinc/18/57/93/933185793.db2.gz FTRXRHHXEXVONH-AWEZNQCLSA-N 0 3 275.367 3.460 20 30 CGEDHN CCCCCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001313052319 933422161 /nfs/dbraw/zinc/42/21/61/933422161.db2.gz FLFABEHAEDKLTO-HNNXBMFYSA-N 0 3 295.471 3.083 20 30 CGEDHN C=CCCCN1CC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001316989292 933508575 /nfs/dbraw/zinc/50/85/75/933508575.db2.gz UCLGIYFYRGVJQG-LBPRGKRZSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001317002880 933511912 /nfs/dbraw/zinc/51/19/12/933511912.db2.gz QMFZRJJIUPVHIT-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(C)C ZINC001317049537 933521137 /nfs/dbraw/zinc/52/11/37/933521137.db2.gz RYMOQIAGKJTBNF-CALCHBBNSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001317174657 933547258 /nfs/dbraw/zinc/54/72/58/933547258.db2.gz VYXRZVXHOHWBBQ-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNC[C@H](F)CC ZINC001317187313 933550010 /nfs/dbraw/zinc/55/00/10/933550010.db2.gz YGODNTGUJOAVSQ-CABCVRRESA-N 0 3 284.419 3.062 20 30 CGEDHN C#CCN(Cc1ccc(F)c(Cl)c1)CC1CC1 ZINC001319726940 933923443 /nfs/dbraw/zinc/92/34/43/933923443.db2.gz JIQRFVUAGRVRCM-UHFFFAOYSA-N 0 3 251.732 3.324 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001320429910 934046917 /nfs/dbraw/zinc/04/69/17/934046917.db2.gz ILIYITPYVXYKNM-GJZGRUSLSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(C(C)(C)C)s1 ZINC001321239605 934166309 /nfs/dbraw/zinc/16/63/09/934166309.db2.gz LEZPIWRPOQADGJ-LLVKDONJSA-N 0 3 253.411 3.336 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001323212745 934374904 /nfs/dbraw/zinc/37/49/04/934374904.db2.gz RZVNLEARMSXJMF-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001323317382 934385755 /nfs/dbraw/zinc/38/57/55/934385755.db2.gz GRSMQNZBCWTBAB-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC ZINC001323683496 934419031 /nfs/dbraw/zinc/41/90/31/934419031.db2.gz DAAVEGKLWFSRAG-CABCVRRESA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001323788635 934426110 /nfs/dbraw/zinc/42/61/10/934426110.db2.gz OJQSHSRAENZLPJ-IYBDPMFKSA-N 0 3 278.440 3.064 20 30 CGEDHN C(=NOCCC1CC1)c1ccccc1N1CCCC1 ZINC001324428934 934503637 /nfs/dbraw/zinc/50/36/37/934503637.db2.gz BGFSAURTKSNSRI-UHFFFAOYSA-N 0 3 258.365 3.437 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCO[C@H]1C ZINC001473118707 937793064 /nfs/dbraw/zinc/79/30/64/937793064.db2.gz QSRIXEPGSPINRE-KBPBESRZSA-N 0 3 263.356 3.239 20 30 CGEDHN C#CC[C@@H](NCc1ccncc1C)c1ccccc1 ZINC001473331830 937801644 /nfs/dbraw/zinc/80/16/44/937801644.db2.gz OVJGHXHHPVVEJH-QGZVFWFLSA-N 0 3 250.345 3.244 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1occc1C(C)C ZINC001328753173 935166798 /nfs/dbraw/zinc/16/67/98/935166798.db2.gz PKWHKSQWGXYLTM-CQSZACIVSA-N 0 3 290.407 3.125 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(C)CCCCC1 ZINC001328763392 935167818 /nfs/dbraw/zinc/16/78/18/935167818.db2.gz CIXFODOCKBVKGP-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001329937078 935256041 /nfs/dbraw/zinc/25/60/41/935256041.db2.gz KSDOFIQJJXBRNQ-WBVHZDCISA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(CC)(CC)CC)C1 ZINC001330061180 935264279 /nfs/dbraw/zinc/26/42/79/935264279.db2.gz OIQRLPUCHZRZQL-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN N#CC1(CN2CCCC[C@H]2CC2(O)CCCCC2)CC1 ZINC001331705131 935404410 /nfs/dbraw/zinc/40/44/10/935404410.db2.gz DQBFQFROYJUSTG-HNNXBMFYSA-N 0 3 276.424 3.230 20 30 CGEDHN C#CCCCCCC(=O)N[C@@H]1CCCN(CC(=C)C)[C@@H]1C ZINC001332197557 935448313 /nfs/dbraw/zinc/44/83/13/935448313.db2.gz CPMXWIMYSFUQGM-IAGOWNOFSA-N 0 3 290.451 3.115 20 30 CGEDHN C=C(Br)CN[C@@H](C)CSCCC ZINC001333711027 936058430 /nfs/dbraw/zinc/05/84/30/936058430.db2.gz NEVZYFFFSRCRNM-VIFPVBQESA-N 0 3 252.221 3.016 20 30 CGEDHN C=CCCC[C@H](N[C@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC001473759856 937821058 /nfs/dbraw/zinc/82/10/58/937821058.db2.gz QFKVERXEVKDPMO-ROUUACIJSA-N 0 3 298.430 3.461 20 30 CGEDHN C=CCCC[C@H](N[C@@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC001473759857 937821364 /nfs/dbraw/zinc/82/13/64/937821364.db2.gz QFKVERXEVKDPMO-ZWKOTPCHSA-N 0 3 298.430 3.461 20 30 CGEDHN N#CC1(CCN2CC[C@H](c3ncccn3)C2)CCCCC1 ZINC001473832654 937824176 /nfs/dbraw/zinc/82/41/76/937824176.db2.gz MTCLRLJHXAYWNF-HNNXBMFYSA-N 0 3 284.407 3.130 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNCc1cnn2ccccc12 ZINC001474143415 937841797 /nfs/dbraw/zinc/84/17/97/937841797.db2.gz AQIOCJSWLRKHHZ-UHFFFAOYSA-N 0 3 290.370 3.113 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1cc2ccccc2[nH]c1=O ZINC001474758889 937879355 /nfs/dbraw/zinc/87/93/55/937879355.db2.gz USBIOJREGOFOEP-LBPRGKRZSA-N 0 3 283.375 3.358 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](CC)C(C)C ZINC001479261268 937918383 /nfs/dbraw/zinc/91/83/83/937918383.db2.gz RAJPZKLTCDTHNW-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCCCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001479378609 937920296 /nfs/dbraw/zinc/92/02/96/937920296.db2.gz ZETLYVXYRMROPW-JKSUJKDBSA-N 0 3 297.487 3.471 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)CCCCC(C)C)CC1 ZINC001479893481 937928313 /nfs/dbraw/zinc/92/83/13/937928313.db2.gz PCHNYICGKUBSDS-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001480740123 937943059 /nfs/dbraw/zinc/94/30/59/937943059.db2.gz VSPONZRPDWPDTL-CVEARBPZSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CCN(CC(=C)C)C1 ZINC001493963436 937952362 /nfs/dbraw/zinc/95/23/62/937952362.db2.gz XGTGSBNYUGUHMR-DLBZAZTESA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCC(C)(C)C ZINC001494680256 937955842 /nfs/dbraw/zinc/95/58/42/937955842.db2.gz BRKGHRNGRACWBD-JYJNAYRXSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001496377048 937962188 /nfs/dbraw/zinc/96/21/88/937962188.db2.gz UNMXURGQTKENEX-ZDUSSCGKSA-N 0 3 296.798 3.007 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001499131092 937972769 /nfs/dbraw/zinc/97/27/69/937972769.db2.gz GSJRIMSUTUXAPL-AWEZNQCLSA-N 0 3 290.407 3.173 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001500547504 937978054 /nfs/dbraw/zinc/97/80/54/937978054.db2.gz WUDJTCDWJMXKGM-YJBOKZPZSA-N 0 3 292.467 3.217 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1oc(C)cc1C ZINC001506916237 937992638 /nfs/dbraw/zinc/99/26/38/937992638.db2.gz FXSHEILSKMBURZ-LBPRGKRZSA-N 0 3 298.814 3.137 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](CC)CCC)CCC[C@@H]12 ZINC001507353142 937995296 /nfs/dbraw/zinc/99/52/96/937995296.db2.gz SZGAVNKYAQZFGD-BFYDXBDKSA-N 0 3 278.440 3.112 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517124375 938011243 /nfs/dbraw/zinc/01/12/43/938011243.db2.gz OHXPLRBXQPSBDK-OUAUKWLOSA-N 0 3 299.761 3.439 20 30 CGEDHN C[C@H]1CC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001527018831 938059875 /nfs/dbraw/zinc/05/98/75/938059875.db2.gz FCGOEYIRKJTZTQ-NHCYSSNCSA-N 0 3 278.302 3.362 20 30 CGEDHN C#CCN(Cc1ccc(C(=O)OC)c(Cl)c1)C(C)(C)C ZINC001560156313 938245556 /nfs/dbraw/zinc/24/55/56/938245556.db2.gz JWNOWZYYKVEFEK-UHFFFAOYSA-N 0 3 293.794 3.360 20 30 CGEDHN C=CCCCN(CC)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001560204561 938246950 /nfs/dbraw/zinc/24/69/50/938246950.db2.gz PZONOQVSVVFCGP-CQSZACIVSA-N 0 3 267.413 3.395 20 30 CGEDHN C[C@@H]1CC[C@](CO)(NCC2(CC#N)CC2)c2ccccc21 ZINC001560226475 938247803 /nfs/dbraw/zinc/24/78/03/938247803.db2.gz SEJYGECUGSQRBO-RDTXWAMCSA-N 0 3 284.403 3.055 20 30 CGEDHN C#CCN(CC)Cc1cc2nc(Cl)ccc2s1 ZINC001560699458 938270698 /nfs/dbraw/zinc/27/06/98/938270698.db2.gz UFCLFHFASVTAIU-UHFFFAOYSA-N 0 3 264.781 3.405 20 30 CGEDHN C#C[C@@H]1CCCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC001560906479 938283220 /nfs/dbraw/zinc/28/32/20/938283220.db2.gz KYYLIAREENTFCT-DIECRNLCSA-N 0 3 261.315 3.323 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCC ZINC001323674338 960437276 /nfs/dbraw/zinc/43/72/76/960437276.db2.gz XCOTYJGDGWIAFF-CVEARBPZSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCCC[C@H]1C)C(C)C ZINC001571614369 960472262 /nfs/dbraw/zinc/47/22/62/960472262.db2.gz FPODDWGZVYICDD-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001567419840 961330607 /nfs/dbraw/zinc/33/06/07/961330607.db2.gz VOCHWKJYRPYKOI-IRXDYDNUSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@@H]1CC12CCC2)c1ccccc1 ZINC001567664777 961390992 /nfs/dbraw/zinc/39/09/92/961390992.db2.gz VNRCDRLRFDXXPX-DLBZAZTESA-N 0 3 298.430 3.200 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001568506047 961606649 /nfs/dbraw/zinc/60/66/49/961606649.db2.gz IKSXWIKXSGTLKV-ZDUSSCGKSA-N 0 3 294.826 3.020 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccsc1C ZINC001569356198 961736408 /nfs/dbraw/zinc/73/64/08/961736408.db2.gz SGRIQNMGMPGPIL-GXTWGEPZSA-N 0 3 292.448 3.215 20 30 CGEDHN CC#CCN1CC[C@@H](NC(=O)CCCCC(C)C)C[C@H]1C ZINC001570444039 961968683 /nfs/dbraw/zinc/96/86/83/961968683.db2.gz AXGVQPFGVUDRSO-IAGOWNOFSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C=C)c1ccccc1 ZINC001570547540 961995891 /nfs/dbraw/zinc/99/58/91/961995891.db2.gz FDWQDKDMYPGMDC-ZWKOTPCHSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C=C(CC)CC)[C@@H]1C ZINC001571517245 962167731 /nfs/dbraw/zinc/16/77/31/962167731.db2.gz PTEKPPOJKZETHV-GOEBONIOSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC(C)(C)Cc1ccccc1C ZINC001574903263 962331239 /nfs/dbraw/zinc/33/12/39/962331239.db2.gz NPWIEJHFTZUCAZ-INIZCTEOSA-N 0 3 288.435 3.116 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(O)c2ccccc12 ZINC001574908373 962333191 /nfs/dbraw/zinc/33/31/91/962333191.db2.gz LDRMNLCRIMROKY-AWEZNQCLSA-N 0 3 284.359 3.168 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC001574901308 962333448 /nfs/dbraw/zinc/33/34/48/962333448.db2.gz GTCHOEQLAKQHKN-YOEHRIQHSA-N 0 3 286.419 3.422 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC001574908141 962335422 /nfs/dbraw/zinc/33/54/22/962335422.db2.gz FPEATBVQLXJDJG-AWEZNQCLSA-N 0 3 298.390 3.007 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H](C)C(F)(F)F ZINC001577430286 962548599 /nfs/dbraw/zinc/54/85/99/962548599.db2.gz ZHTBHHPBSBTYFZ-QWRGUYRKSA-N 0 3 282.350 3.131 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)C[C@@H]1NCc2ccccc21 ZINC001579519851 962628225 /nfs/dbraw/zinc/62/82/25/962628225.db2.gz OZXBWEVNLLREBJ-KRWDZBQOSA-N 0 3 291.354 3.040 20 30 CGEDHN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCOC1 ZINC000589748116 346810373 /nfs/dbraw/zinc/81/03/73/346810373.db2.gz QDUNTRGUQQJADM-MRXNPFEDSA-N 0 3 272.392 3.099 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC(C2CC2)CC1 ZINC000590008202 346821925 /nfs/dbraw/zinc/82/19/25/346821925.db2.gz IMXYXGJCBISGLK-UHFFFAOYSA-N 0 3 270.376 3.189 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cncc(OCC)c2)C1 ZINC000621732051 349572144 /nfs/dbraw/zinc/57/21/44/349572144.db2.gz LQSHXJKHSWYKOV-AWEZNQCLSA-N 0 3 260.381 3.268 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](CC2CC2)C1 ZINC000590202717 346836521 /nfs/dbraw/zinc/83/65/21/346836521.db2.gz MJIHNCVSHPNJPM-CJNGLKHVSA-N 0 3 297.402 3.007 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nccn2CC(F)(F)F)C1 ZINC000651699523 398270863 /nfs/dbraw/zinc/27/08/63/398270863.db2.gz YDEWULSXJMDYBF-NWDGAFQWSA-N 0 3 287.329 3.280 20 30 CGEDHN C=CC[C@@H](CC)NCc1cc(F)c(OC)cc1OC ZINC000651793532 398289500 /nfs/dbraw/zinc/28/95/00/398289500.db2.gz XUHPUFTWIWGAJZ-GFCCVEGCSA-N 0 3 267.344 3.287 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@H](c1ccccc1F)[C@H](C)O ZINC000651892339 398302163 /nfs/dbraw/zinc/30/21/63/398302163.db2.gz QLJVDWDGZBEYLB-QCQGSNGOSA-N 0 3 265.372 3.438 20 30 CGEDHN CC[C@H](CSC)N[C@H](C)c1ccc(C#N)cc1F ZINC000358578629 529415560 /nfs/dbraw/zinc/41/55/60/529415560.db2.gz VVIZUJXLYMKCND-ZYHUDNBSSA-N 0 3 266.385 3.490 20 30 CGEDHN C=CCCCCCN(C)[C@H]1CCCc2c1cnn2C ZINC000187694630 542246458 /nfs/dbraw/zinc/24/64/58/542246458.db2.gz GJLFSMTZKNLQGN-HNNXBMFYSA-N 0 3 261.413 3.476 20 30 CGEDHN C[C@@H](CCC#N)N1CCCO[C@H](c2ccccc2)C1 ZINC000591013292 346894143 /nfs/dbraw/zinc/89/41/43/346894143.db2.gz WOCJZDNIGNEHKL-HOCLYGCPSA-N 0 3 258.365 3.142 20 30 CGEDHN C=CCC[C@H](CC)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623233291 349769688 /nfs/dbraw/zinc/76/96/88/349769688.db2.gz UYODZZPEMOWBDC-GOEBONIOSA-N 0 3 272.392 3.034 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc3cnccc3c2)C1 ZINC000591639767 346931352 /nfs/dbraw/zinc/93/13/52/346931352.db2.gz KGPKNGBAWXPHJF-WBMJQRKESA-N 0 3 251.333 3.017 20 30 CGEDHN C=C(C)COCCNCc1ccsc1C(F)(F)F ZINC000623449658 349812388 /nfs/dbraw/zinc/81/23/88/349812388.db2.gz GEHQZUFATKPMHF-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN CCCCN(CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351976526 136384765 /nfs/dbraw/zinc/38/47/65/136384765.db2.gz BWIWQMOQIKHNRH-QGZVFWFLSA-N 0 3 299.418 3.176 20 30 CGEDHN C=CCOc1c(Cl)cc(CNC[C@H](C)OC)cc1OC ZINC000623503898 349822785 /nfs/dbraw/zinc/82/27/85/349822785.db2.gz RSCXCDDDNCWVRN-NSHDSACASA-N 0 3 299.798 3.038 20 30 CGEDHN C=CCCn1cc(CNCC(C2CCC2)C2CCC2)nn1 ZINC000623593295 349843363 /nfs/dbraw/zinc/84/33/63/349843363.db2.gz ALDADARRRLNCRS-UHFFFAOYSA-N 0 3 288.439 3.160 20 30 CGEDHN C[C@@H](c1cccc2ccccc21)N1CC[C@@](O)(CC#N)C1 ZINC000592151429 346967823 /nfs/dbraw/zinc/96/78/23/346967823.db2.gz OUPXTSQYBPPZNX-KSSFIOAISA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@H](c1cccc2ccccc21)N1CC[C@@](O)(CC#N)C1 ZINC000592151428 346967884 /nfs/dbraw/zinc/96/78/84/346967884.db2.gz OUPXTSQYBPPZNX-KDOFPFPSSA-N 0 3 280.371 3.251 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)o1 ZINC000126944423 187271539 /nfs/dbraw/zinc/27/15/39/187271539.db2.gz XAAMOGXXSCJVPM-AWEZNQCLSA-N 0 3 284.334 3.355 20 30 CGEDHN CCCC[C@@H]1CCC[C@H]1NCc1ccncc1C#N ZINC000592103901 346963578 /nfs/dbraw/zinc/96/35/78/346963578.db2.gz NMUFIJKAMQFRDA-CZUORRHYSA-N 0 3 257.381 3.402 20 30 CGEDHN CCCCN(CC1(C#N)CC1)[C@H]1CCc2ncsc2C1 ZINC000592189834 346970367 /nfs/dbraw/zinc/97/03/67/346970367.db2.gz XFYNOZWKDSUGOX-ZDUSSCGKSA-N 0 3 289.448 3.406 20 30 CGEDHN CC(C)C[C@@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000592500501 346993962 /nfs/dbraw/zinc/99/39/62/346993962.db2.gz ZSORGJWRMAMHBX-INIZCTEOSA-N 0 3 297.406 3.002 20 30 CGEDHN CCN(CCC1(C#N)CCCCC1)[C@@H]1CCCOC1 ZINC000593071875 347036169 /nfs/dbraw/zinc/03/61/69/347036169.db2.gz VDDZOZAKMGERJT-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN C[C@@H]1CN(Cc2ccnc(C#N)c2)CCc2ccc(F)cc21 ZINC000593116296 347041459 /nfs/dbraw/zinc/04/14/59/347041459.db2.gz JSSWXCNPWVRODQ-CYBMUJFWSA-N 0 3 295.361 3.254 20 30 CGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCOC1 ZINC000356113667 529983918 /nfs/dbraw/zinc/98/39/18/529983918.db2.gz QXTJAFSISXNRDY-LBPRGKRZSA-N 0 3 298.308 3.045 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000037748489 344952717 /nfs/dbraw/zinc/95/27/17/344952717.db2.gz ROWAGBNKTLBGGB-ZDUSSCGKSA-N 0 3 261.328 3.281 20 30 CGEDHN C=CCCC[C@H](C)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000340893503 263312463 /nfs/dbraw/zinc/31/24/63/263312463.db2.gz KXVQCDSHWSKCQS-RYUDHWBXSA-N 0 3 265.319 3.120 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054179447 345130229 /nfs/dbraw/zinc/13/02/29/345130229.db2.gz ZNJKSZYDXXVIQR-NWDGAFQWSA-N 0 3 282.334 3.358 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054179448 345130486 /nfs/dbraw/zinc/13/04/86/345130486.db2.gz ZNJKSZYDXXVIQR-NEPJUHHUSA-N 0 3 282.334 3.358 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000060365188 345214098 /nfs/dbraw/zinc/21/40/98/345214098.db2.gz JUZQBVYECUYDNJ-KRWDZBQOSA-N 0 3 286.419 3.124 20 30 CGEDHN C[NH+](C)C1(C/N=C/c2ccccc2[O-])CCCCC1 ZINC000060804453 345223013 /nfs/dbraw/zinc/22/30/13/345223013.db2.gz KIMDFPVODXMEGN-SFQUDFHCSA-N 0 3 260.381 3.076 20 30 CGEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000075022025 345490454 /nfs/dbraw/zinc/49/04/54/345490454.db2.gz QJCJYTFAWUMZPF-JKSUJKDBSA-N 0 3 299.418 3.054 20 30 CGEDHN C#CCCCCN[C@H](C)c1cc(OC)ccc1OC ZINC000090398806 260259235 /nfs/dbraw/zinc/25/92/35/260259235.db2.gz VVFZRXQKQDTCBL-CYBMUJFWSA-N 0 3 261.365 3.158 20 30 CGEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CCOCC1 ZINC000076152448 345535976 /nfs/dbraw/zinc/53/59/76/345535976.db2.gz IHLJPXFWYZEMEZ-ROUUACIJSA-N 0 3 284.403 3.185 20 30 CGEDHN C=CCOc1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000079726393 345653314 /nfs/dbraw/zinc/65/33/14/345653314.db2.gz UPPBJPTXECUZAD-VIFPVBQESA-N 0 3 273.254 3.388 20 30 CGEDHN CN(CCNc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000091459609 345815263 /nfs/dbraw/zinc/81/52/63/345815263.db2.gz HYLCMLKCXIVABQ-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2nccs2)CC1 ZINC000091507367 345816934 /nfs/dbraw/zinc/81/69/34/345816934.db2.gz NUWNSFYUVKVYPC-ZDUSSCGKSA-N 0 3 265.426 3.010 20 30 CGEDHN C=CCN1CCC(Nc2ncnc3sc(C)cc32)CC1 ZINC000090091778 345782083 /nfs/dbraw/zinc/78/20/83/345782083.db2.gz PBRDQNABCVXHTA-UHFFFAOYSA-N 0 3 288.420 3.062 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](C)C2)cc1OC ZINC000092471453 345841470 /nfs/dbraw/zinc/84/14/70/345841470.db2.gz FRKYPYUWSGLTMQ-CYBMUJFWSA-N 0 3 261.365 3.102 20 30 CGEDHN CC1(NCc2ccc(C#N)cc2F)Cc2ccccc2C1 ZINC000092853662 345860617 /nfs/dbraw/zinc/86/06/17/345860617.db2.gz NNQNPMNHZWXGRI-UHFFFAOYSA-N 0 3 280.346 3.344 20 30 CGEDHN C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1ccc(C#N)cc1 ZINC000094078969 345895067 /nfs/dbraw/zinc/89/50/67/345895067.db2.gz KUXGIAFNQRPYQS-KPZWWZAWSA-N 0 3 277.371 3.479 20 30 CGEDHN CCN(CC)[C@H](CNc1cnccc1C#N)c1ccco1 ZINC000094151005 345896861 /nfs/dbraw/zinc/89/68/61/345896861.db2.gz WDTUPESETMMZLM-OAHLLOKOSA-N 0 3 284.363 3.041 20 30 CGEDHN CCOC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000172396765 346221323 /nfs/dbraw/zinc/22/13/23/346221323.db2.gz HMKKRYULEJLGTH-CYBMUJFWSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@H]1CN(CCCSCC#N)[C@@H]1c1ccccc1 ZINC000177830590 346251457 /nfs/dbraw/zinc/25/14/57/346251457.db2.gz WRANDOFDFYNNKI-ZFWWWQNUSA-N 0 3 260.406 3.326 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCS[C@@H](C)[C@H]1C ZINC000229151519 346316176 /nfs/dbraw/zinc/31/61/76/346316176.db2.gz MZPFAPSVWKELME-OLZOCXBDSA-N 0 3 260.406 3.193 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCS[C@H](C)[C@H]1C ZINC000229151530 346316279 /nfs/dbraw/zinc/31/62/79/346316279.db2.gz MZPFAPSVWKELME-CHWSQXEVSA-N 0 3 260.406 3.193 20 30 CGEDHN Cc1csc([C@H](C)NCC(C)(C)CCC#N)n1 ZINC000229696476 346318615 /nfs/dbraw/zinc/31/86/15/346318615.db2.gz MKDYRYYPEFYVID-NSHDSACASA-N 0 3 251.399 3.432 20 30 CGEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000320644081 346488820 /nfs/dbraw/zinc/48/88/20/346488820.db2.gz IOUXINYUCGTVOX-STQMWFEESA-N 0 3 288.391 3.187 20 30 CGEDHN COC[C@@H](CC(C)(C)C)NCc1ccc(C#N)s1 ZINC000593633559 347097215 /nfs/dbraw/zinc/09/72/15/347097215.db2.gz QIAZSYZNTXUEAF-LLVKDONJSA-N 0 3 266.410 3.161 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000335999286 346497669 /nfs/dbraw/zinc/49/76/69/346497669.db2.gz NVDPMJCSUKAQDD-RDTXWAMCSA-N 0 3 290.366 3.320 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCC1(C#N)CCCC1 ZINC000405153525 346602840 /nfs/dbraw/zinc/60/28/40/346602840.db2.gz QIHWLOZNYHZVDC-FUHWJXTLSA-N 0 3 297.446 3.180 20 30 CGEDHN CC(C#N)C(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC000531054368 346646318 /nfs/dbraw/zinc/64/63/18/346646318.db2.gz VSISLWLXAHNBPA-LBPRGKRZSA-N 0 3 298.317 3.394 20 30 CGEDHN C=CCCCCN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000571512757 346667404 /nfs/dbraw/zinc/66/74/04/346667404.db2.gz XGOBQQQSZSADBP-ZDUSSCGKSA-N 0 3 278.362 3.159 20 30 CGEDHN COc1nc2ccccc2cc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000584820340 346716403 /nfs/dbraw/zinc/71/64/03/346716403.db2.gz VMEFIFJSAKDLAB-BBRMVZONSA-N 0 3 295.386 3.415 20 30 CGEDHN C[C@@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000593718135 347107513 /nfs/dbraw/zinc/10/75/13/347107513.db2.gz LJBRVPIIESMSPX-RYUDHWBXSA-N 0 3 276.355 3.163 20 30 CGEDHN C[C@H](COCC1CC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000593718136 347107568 /nfs/dbraw/zinc/10/75/68/347107568.db2.gz LJBRVPIIESMSPX-VXGBXAGGSA-N 0 3 276.355 3.163 20 30 CGEDHN C[C@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000593718133 347107626 /nfs/dbraw/zinc/10/76/26/347107626.db2.gz LJBRVPIIESMSPX-NEPJUHHUSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(CC)C(C)C)C(C)C ZINC000589188240 346788147 /nfs/dbraw/zinc/78/81/47/346788147.db2.gz CHNSGGYCKIIZSO-INIZCTEOSA-N 0 3 295.471 3.125 20 30 CGEDHN CCC(C)(C)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000594020243 347138479 /nfs/dbraw/zinc/13/84/79/347138479.db2.gz DRKNZCYNTKJPLW-OAHLLOKOSA-N 0 3 285.435 3.425 20 30 CGEDHN N#Cc1ccc(C2(NC[C@@H](O)C3CCCCC3)CCC2)cc1 ZINC000594033129 347141095 /nfs/dbraw/zinc/14/10/95/347141095.db2.gz INMOKIGDPPCFLS-GOSISDBHSA-N 0 3 298.430 3.468 20 30 CGEDHN CN(CCCCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035784 347141670 /nfs/dbraw/zinc/14/16/70/347141670.db2.gz VUURIYGFQIFBND-UHFFFAOYSA-N 0 3 282.290 3.134 20 30 CGEDHN C[C@@H](CCC#N)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594059756 347147082 /nfs/dbraw/zinc/14/70/82/347147082.db2.gz ZZENMGQZJAIHRK-UONOGXRCSA-N 0 3 250.386 3.102 20 30 CGEDHN CN(C[C@@H]1CCCN1C)c1cccc(C(F)F)c1C#N ZINC000594592943 347197813 /nfs/dbraw/zinc/19/78/13/347197813.db2.gz DQEMTGSHWVFEMF-NSHDSACASA-N 0 3 279.334 3.026 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000594425010 347174085 /nfs/dbraw/zinc/17/40/85/347174085.db2.gz ISHKFKXVQHPKJQ-LBPRGKRZSA-N 0 3 299.296 3.055 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)N1CCCCCc2ccccc21 ZINC000594433795 347174761 /nfs/dbraw/zinc/17/47/61/347174761.db2.gz STINRVXNPJDCJV-INIZCTEOSA-N 0 3 299.418 3.157 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@H]2CCCCO2)c(F)c1 ZINC000594509693 347182410 /nfs/dbraw/zinc/18/24/10/347182410.db2.gz KMIYPWCCWHEFMH-IAGOWNOFSA-N 0 3 288.366 3.135 20 30 CGEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)[C@H]1CCCO1 ZINC000594516215 347186674 /nfs/dbraw/zinc/18/66/74/347186674.db2.gz BVQZYXADNRXELB-CZUORRHYSA-N 0 3 270.376 3.095 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)cc1)C1CCCCC1 ZINC000594997581 347252053 /nfs/dbraw/zinc/25/20/53/347252053.db2.gz NJFLUQHJHJCGAW-KRWDZBQOSA-N 0 3 272.392 3.243 20 30 CGEDHN C[C@@H]1C[C@H](C)CN(CCSc2cccnc2C#N)C1 ZINC000594902527 347225161 /nfs/dbraw/zinc/22/51/61/347225161.db2.gz QBKWHLUIJBLXFJ-BETUJISGSA-N 0 3 275.421 3.023 20 30 CGEDHN N#Cc1cnccc1S[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594907856 347226652 /nfs/dbraw/zinc/22/66/52/347226652.db2.gz JITKDWMQVDZVHT-MRXNPFEDSA-N 0 3 295.411 3.320 20 30 CGEDHN CC(C)(C)OCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594928275 347231838 /nfs/dbraw/zinc/23/18/38/347231838.db2.gz USBZXTHBZLBULL-UHFFFAOYSA-N 0 3 272.392 3.146 20 30 CGEDHN N#CCC1(CNCc2cc3ccncc3s2)CC1 ZINC000594937530 347235262 /nfs/dbraw/zinc/23/52/62/347235262.db2.gz QHCXGSGJVHQQQZ-UHFFFAOYSA-N 0 3 257.362 3.080 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cncc(F)c1 ZINC000594959716 347240523 /nfs/dbraw/zinc/24/05/23/347240523.db2.gz AQSIMRVTZRGKGG-LLVKDONJSA-N 0 3 254.374 3.181 20 30 CGEDHN C=CCCSCCNCc1cc(C#N)cs1 ZINC000594960133 347241370 /nfs/dbraw/zinc/24/13/70/347241370.db2.gz KLFBARCGBYPCQW-UHFFFAOYSA-N 0 3 252.408 3.019 20 30 CGEDHN C=CCCSCCNCc1ccc(C#N)s1 ZINC000594960566 347241668 /nfs/dbraw/zinc/24/16/68/347241668.db2.gz TYNUHAXTVWIIFT-UHFFFAOYSA-N 0 3 252.408 3.019 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000595388459 347297574 /nfs/dbraw/zinc/29/75/74/347297574.db2.gz WBYXBJZSDVGISK-YTQUADARSA-N 0 3 295.430 3.200 20 30 CGEDHN C[C@@H](NC[C@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055071 347270965 /nfs/dbraw/zinc/27/09/65/347270965.db2.gz ZXOUOOJMRHQSBE-TZMCWYRMSA-N 0 3 289.398 3.221 20 30 CGEDHN C[C@H](COc1c(F)cccc1F)N[C@H]1CC[C@H](C#N)C1 ZINC000595071891 347277511 /nfs/dbraw/zinc/27/75/11/347277511.db2.gz CEJDQGLEJRAXPF-WOPDTQHZSA-N 0 3 280.318 3.014 20 30 CGEDHN C[C@@H](NCCC(C)(C)F)c1ccc(C#N)cc1F ZINC000595082665 347279811 /nfs/dbraw/zinc/27/98/11/347279811.db2.gz CINKUMNXTRGGLC-SNVBAGLBSA-N 0 3 252.308 3.486 20 30 CGEDHN CC(C)(C)N(CCOCCC#N)Cc1ccsc1 ZINC000595599976 347324113 /nfs/dbraw/zinc/32/41/13/347324113.db2.gz DUZSPQVDSFYGCS-UHFFFAOYSA-N 0 3 266.410 3.279 20 30 CGEDHN CCOc1ccc(OCCN2CCC[C@@H](CC#N)C2)cc1 ZINC000595609535 347326192 /nfs/dbraw/zinc/32/61/92/347326192.db2.gz MAXGUQKKEKKPNJ-HNNXBMFYSA-N 0 3 288.391 3.090 20 30 CGEDHN N#CC[C@H]1CCCN(CCN2CCCc3ccccc32)C1 ZINC000595621047 347328650 /nfs/dbraw/zinc/32/86/50/347328650.db2.gz ROAHXVBPWNCVAW-MRXNPFEDSA-N 0 3 283.419 3.065 20 30 CGEDHN CC(C)(NCCC(F)(F)F)c1cccc(C#N)c1 ZINC000595640624 347331856 /nfs/dbraw/zinc/33/18/56/347331856.db2.gz RVRLFKHZERCOIS-UHFFFAOYSA-N 0 3 256.271 3.335 20 30 CGEDHN COc1cccc([C@]2(C)CCN([C@H]3CC[C@H](C#N)C3)C2)c1 ZINC000595771084 347353614 /nfs/dbraw/zinc/35/36/14/347353614.db2.gz ZNNBRSYVWCBSPK-QILLFSRXSA-N 0 3 284.403 3.351 20 30 CGEDHN C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H](C)O1 ZINC000595781955 347355150 /nfs/dbraw/zinc/35/51/50/347355150.db2.gz XEEBFRUHOIWVBP-CABCVRRESA-N 0 3 286.419 3.487 20 30 CGEDHN CO[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595548616 347318054 /nfs/dbraw/zinc/31/80/54/347318054.db2.gz CQSIXLSXZYUCSL-GUYCJALGSA-N 0 3 272.392 3.366 20 30 CGEDHN CC[C@@H](C)N(CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595594015 347322801 /nfs/dbraw/zinc/32/28/01/347322801.db2.gz WDHOOORKXCWEBQ-GFCCVEGCSA-N 0 3 284.363 3.229 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cnccc2C(F)(F)F)C1 ZINC000596117453 347385437 /nfs/dbraw/zinc/38/54/37/347385437.db2.gz GPKCLUWCGIIQQB-PWSUYJOCSA-N 0 3 283.297 3.272 20 30 CGEDHN Cn1cc(CN2CCC[C@@H](CC#N)C2)c(-c2ccccc2)n1 ZINC000597175435 347544336 /nfs/dbraw/zinc/54/43/36/347544336.db2.gz AYOZMIYAKSUIHD-HNNXBMFYSA-N 0 3 294.402 3.213 20 30 CGEDHN N#CC1(c2ccc(CN3CC[C@@]4(CC4(F)F)C3)cc2)CC1 ZINC000597157581 347541822 /nfs/dbraw/zinc/54/18/22/347541822.db2.gz ONULNJHMOKNSGD-MRXNPFEDSA-N 0 3 288.341 3.473 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000597186518 347547102 /nfs/dbraw/zinc/54/71/02/347547102.db2.gz IDEFYPRUAGZSCH-CQSZACIVSA-N 0 3 270.376 3.355 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000597964451 347609846 /nfs/dbraw/zinc/60/98/46/347609846.db2.gz YGBQTVYANSYJTP-MRVPVSSYSA-N 0 3 283.158 3.038 20 30 CGEDHN CCc1ccc([C@@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592297 347667665 /nfs/dbraw/zinc/66/76/65/347667665.db2.gz IZPSVRRFQZDFPD-ZFWWWQNUSA-N 0 3 290.407 3.280 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000598605100 347670616 /nfs/dbraw/zinc/67/06/16/347670616.db2.gz YUOPBQNXCBZQHE-JSSIJEINSA-N 0 3 298.430 3.465 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CC3)CC2)c(F)c1 ZINC000599672966 347763042 /nfs/dbraw/zinc/76/30/42/347763042.db2.gz LCCLHBPOOBTFRX-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN N#CCc1cccc2c1CCN(CCCC1CCOCC1)C2 ZINC000599679103 347765098 /nfs/dbraw/zinc/76/50/98/347765098.db2.gz VYOHCPIKVHSJON-UHFFFAOYSA-N 0 3 298.430 3.318 20 30 CGEDHN CCCN(CCN1CCCCC1)C(=O)C(C#N)(CC)CC ZINC000599935985 347775490 /nfs/dbraw/zinc/77/54/90/347775490.db2.gz VOPDFFGZFSZYBC-UHFFFAOYSA-N 0 3 293.455 3.041 20 30 CGEDHN CCO[C@H](CN[C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000599349606 347738111 /nfs/dbraw/zinc/73/81/11/347738111.db2.gz KNSXZEDYBUFUIR-MLGOLLRUSA-N 0 3 258.365 3.024 20 30 CGEDHN Cc1ccc(CN2CCC3(CCC(O)CC3)CC2)cc1C#N ZINC000599430818 347743847 /nfs/dbraw/zinc/74/38/47/347743847.db2.gz AILHIFJNPRYOOZ-UHFFFAOYSA-N 0 3 298.430 3.384 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H](CCF)C2)cc1C#N ZINC000599471046 347747940 /nfs/dbraw/zinc/74/79/40/347747940.db2.gz XSORZQVEDOJXJR-AWEZNQCLSA-N 0 3 260.356 3.438 20 30 CGEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C)C1(F)F ZINC000599515053 347749868 /nfs/dbraw/zinc/74/98/68/347749868.db2.gz PBBJFHIUJKDBBG-STQMWFEESA-N 0 3 278.346 3.476 20 30 CGEDHN C[C@@H]1CN(CCOc2ccccc2C#N)C[C@@H](C)C1(F)F ZINC000599514782 347749891 /nfs/dbraw/zinc/74/98/91/347749891.db2.gz ZVBSSBOLQWAZLX-CHWSQXEVSA-N 0 3 294.345 3.160 20 30 CGEDHN C=CCC1(NCc2onc(C)c2[N+](=O)[O-])CCCCC1 ZINC000599610473 347758225 /nfs/dbraw/zinc/75/82/25/347758225.db2.gz QUMJHGKOYWAAGX-UHFFFAOYSA-N 0 3 279.340 3.260 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(O)cc3)C2)cc1F ZINC000600214002 347793998 /nfs/dbraw/zinc/79/39/98/347793998.db2.gz JXGADIQPYQSBQU-INIZCTEOSA-N 0 3 296.345 3.392 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1C[C@H]1C(F)(F)F ZINC000601307190 347890462 /nfs/dbraw/zinc/89/04/62/347890462.db2.gz WXAIRJVYIUWCFH-MGPQQGTHSA-N 0 3 280.293 3.476 20 30 CGEDHN N#Cc1cccc(CNCCCCOc2ccc(F)cc2)n1 ZINC000602511331 347972747 /nfs/dbraw/zinc/97/27/47/347972747.db2.gz PYQMYNBXMNZIDB-UHFFFAOYSA-N 0 3 299.349 3.041 20 30 CGEDHN N#CC1CCC(N[C@H]2COc3c2cccc3Cl)CC1 ZINC000602571075 347985006 /nfs/dbraw/zinc/98/50/06/347985006.db2.gz XUFYBFDMCAUIJY-MGULZYLOSA-N 0 3 276.767 3.445 20 30 CGEDHN CCCCO[C@H]1C[C@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602573623 347985454 /nfs/dbraw/zinc/98/54/54/347985454.db2.gz SUQPRDLHELTRKI-HOTGVXAUSA-N 0 3 287.407 3.027 20 30 CGEDHN C[C@H](CCc1c[nH]c2ccccc12)NCC1(C#N)CC1 ZINC000602642032 347999122 /nfs/dbraw/zinc/99/91/22/347999122.db2.gz HDTBJYDSTWQIRU-CYBMUJFWSA-N 0 3 267.376 3.382 20 30 CGEDHN C[C@H](CCC#N)CNCc1cccc(C(F)(F)F)n1 ZINC000602673119 348005676 /nfs/dbraw/zinc/00/56/76/348005676.db2.gz IKEVLBBHONVINU-SNVBAGLBSA-N 0 3 271.286 3.130 20 30 CGEDHN C=CCC(C)(C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677170 348006753 /nfs/dbraw/zinc/00/67/53/348006753.db2.gz WBULHTSYAXVHEE-UHFFFAOYSA-N 0 3 289.335 3.428 20 30 CGEDHN C[C@@H]1OCC[C@@H]1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000602787498 348029284 /nfs/dbraw/zinc/02/92/84/348029284.db2.gz TYDHDFQXRDERPZ-XOYOTBSWSA-N 0 3 284.403 3.183 20 30 CGEDHN C[C@@H](CCC#N)CN[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000602714109 348015629 /nfs/dbraw/zinc/01/56/29/348015629.db2.gz GGXGACUQOIHWRL-GOEBONIOSA-N 0 3 294.402 3.389 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000602725966 348018539 /nfs/dbraw/zinc/01/85/39/348018539.db2.gz NXNKOAIUBNFVES-HNNXBMFYSA-N 0 3 296.418 3.230 20 30 CGEDHN N#CC1CCC(NCc2cccc(F)c2F)CC1 ZINC000602732202 348020447 /nfs/dbraw/zinc/02/04/47/348020447.db2.gz QEINRXXITXDUNX-UHFFFAOYSA-N 0 3 250.292 3.137 20 30 CGEDHN COc1cc(CN2CCC(CCF)CC2)ccc1C#N ZINC000602735183 348021902 /nfs/dbraw/zinc/02/19/02/348021902.db2.gz SAGVOSAUHQBNPF-UHFFFAOYSA-N 0 3 276.355 3.138 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1cc(C)c(C(=O)OC)o1 ZINC000602744125 348023318 /nfs/dbraw/zinc/02/33/18/348023318.db2.gz OYYARTLQSXMOFO-JQWIXIFHSA-N 0 3 265.353 3.065 20 30 CGEDHN N#CCC1(CN(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000602760575 348024531 /nfs/dbraw/zinc/02/45/31/348024531.db2.gz XPRVJZMQABEIPX-UHFFFAOYSA-N 0 3 258.340 3.484 20 30 CGEDHN COc1ccc([C@@H](C)N(C)CC2(CC#N)CC2)cc1 ZINC000602758062 348024808 /nfs/dbraw/zinc/02/48/08/348024808.db2.gz ISUDEYKBFOOODD-CYBMUJFWSA-N 0 3 258.365 3.382 20 30 CGEDHN Cc1ccc([C@H](C)CNCc2cccc(C#N)n2)cc1 ZINC000602550954 347980861 /nfs/dbraw/zinc/98/08/61/347980861.db2.gz GCGZWDRXJXVKSK-CQSZACIVSA-N 0 3 265.360 3.155 20 30 CGEDHN COc1ccc([C@H](C)CCNCc2cccc(C#N)n2)cc1 ZINC000602559160 347981565 /nfs/dbraw/zinc/98/15/65/347981565.db2.gz UNPYJDRVNAGLLB-CQSZACIVSA-N 0 3 295.386 3.245 20 30 CGEDHN CCc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602560771 347982371 /nfs/dbraw/zinc/98/23/71/347982371.db2.gz UAMVRNMMGWQYKZ-HNNXBMFYSA-N 0 3 286.419 3.438 20 30 CGEDHN CC[C@H](CNCc1cccc(C#N)n1)Oc1ccccc1C ZINC000602564269 347983009 /nfs/dbraw/zinc/98/30/09/347983009.db2.gz SCCMYEDMVHSTET-QGZVFWFLSA-N 0 3 295.386 3.209 20 30 CGEDHN Cc1cccc([C@@H]2CCN(CC3(CC#N)CC3)C2)c1 ZINC000602804802 348031302 /nfs/dbraw/zinc/03/13/02/348031302.db2.gz LEHVPVCLHQJMPR-MRXNPFEDSA-N 0 3 254.377 3.478 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000602833450 348034743 /nfs/dbraw/zinc/03/47/43/348034743.db2.gz UPYULIHGHSHTQR-ZDUSSCGKSA-N 0 3 298.365 3.356 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H](c3cccnc3)C2)ccc1F ZINC000602857307 348037156 /nfs/dbraw/zinc/03/71/56/348037156.db2.gz UKOXNEJBUAQRGM-INIZCTEOSA-N 0 3 295.361 3.472 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602857662 348037298 /nfs/dbraw/zinc/03/72/98/348037298.db2.gz XHKSHMVDCCXUDY-GOSISDBHSA-N 0 3 277.371 3.333 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC=C(c2cnn(C)c2)C1 ZINC000602886080 348041054 /nfs/dbraw/zinc/04/10/54/348041054.db2.gz GGUCOEZXYQXANT-CQSZACIVSA-N 0 3 292.386 3.142 20 30 CGEDHN CC1(C)C[C@H](N2CCC(Nc3ccccc3C#N)CC2)CO1 ZINC000602899460 348041828 /nfs/dbraw/zinc/04/18/28/348041828.db2.gz JYHPYGZTQKTHOP-INIZCTEOSA-N 0 3 299.418 3.002 20 30 CGEDHN N#Cc1cnccc1CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000602917893 348043358 /nfs/dbraw/zinc/04/33/58/348043358.db2.gz LKHPWYWLDFZAMR-QZTJIDSGSA-N 0 3 277.371 3.379 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc2[nH]c(=O)oc2c1 ZINC000602991594 348053119 /nfs/dbraw/zinc/05/31/19/348053119.db2.gz JBFZQLVHIIQNOC-JTQLQIEISA-N 0 3 273.336 3.124 20 30 CGEDHN N#Cc1cccc(CNCCN2CCCc3ccccc32)c1 ZINC000604473844 348120855 /nfs/dbraw/zinc/12/08/55/348120855.db2.gz YBHMNSBZXMBSPO-UHFFFAOYSA-N 0 3 291.398 3.101 20 30 CGEDHN C=CCNC(=O)CN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000606452002 348185633 /nfs/dbraw/zinc/18/56/33/348185633.db2.gz BGRCOZFSQQDPQF-CRAIPNDOSA-N 0 3 286.419 3.070 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN([C@H](C)CCc2ccccc2)CC1 ZINC000609487050 348345412 /nfs/dbraw/zinc/34/54/12/348345412.db2.gz WADLGLYVYKRELX-MJGOQNOKSA-N 0 3 299.462 3.173 20 30 CGEDHN N#Cc1ccc(NC(=O)CCN2C3CCCC2CCC3)cc1 ZINC000610394999 348380554 /nfs/dbraw/zinc/38/05/54/348380554.db2.gz IIHASWGYRGKOKA-UHFFFAOYSA-N 0 3 297.402 3.294 20 30 CGEDHN N#Cc1csc(CNCCN2CCCc3ccccc32)c1 ZINC000610488686 348384661 /nfs/dbraw/zinc/38/46/61/348384661.db2.gz KGTGCIXBYPLOHK-UHFFFAOYSA-N 0 3 297.427 3.162 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](n2ccnc2)C1 ZINC000609823368 348354472 /nfs/dbraw/zinc/35/44/72/348354472.db2.gz ADUIIVMRIZFAAX-YOEHRIQHSA-N 0 3 280.375 3.153 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000609847956 348354531 /nfs/dbraw/zinc/35/45/31/348354531.db2.gz PWDKSVLURZWKKZ-FVQBIDKESA-N 0 3 270.376 3.064 20 30 CGEDHN COC[C@@H](CC(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610829788 348405256 /nfs/dbraw/zinc/40/52/56/348405256.db2.gz LEOQABXMVVLXCT-XJKSGUPXSA-N 0 3 260.381 3.270 20 30 CGEDHN CC(C)(C#N)CCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000610847185 348405803 /nfs/dbraw/zinc/40/58/03/348405803.db2.gz SJMWTWLOVLKMJI-UHFFFAOYSA-N 0 3 282.391 3.292 20 30 CGEDHN N#Cc1cc(CN(CC2CCCCC2)C2CC2)ccn1 ZINC000610991583 348413987 /nfs/dbraw/zinc/41/39/87/348413987.db2.gz NTSHEJDPOUWLEJ-UHFFFAOYSA-N 0 3 269.392 3.498 20 30 CGEDHN N#Cc1cccc(OCCCN2CC[C@@H](c3ccco3)C2)c1 ZINC000610786436 348403399 /nfs/dbraw/zinc/40/33/99/348403399.db2.gz CKEFKMWIWIHZSS-MRXNPFEDSA-N 0 3 296.370 3.410 20 30 CGEDHN C[C@H](C[C@H]1CCOC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000611587711 348462750 /nfs/dbraw/zinc/46/27/50/348462750.db2.gz PGFZHXJUUMZPKX-MBNYWOFBSA-N 0 3 276.355 3.163 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cc3ccsc3[nH]2)n1 ZINC000613286734 348586040 /nfs/dbraw/zinc/58/60/40/348586040.db2.gz APSFAEMRODXESP-VIFPVBQESA-N 0 3 287.369 3.484 20 30 CGEDHN CCC1(O)CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614168777 348654238 /nfs/dbraw/zinc/65/42/38/348654238.db2.gz UJOOVGCSEUMAGH-UHFFFAOYSA-N 0 3 286.419 3.225 20 30 CGEDHN C[C@H](N[C@@H]1CCS[C@H]1C)c1ccc(C#N)cc1F ZINC000615136427 348716701 /nfs/dbraw/zinc/71/67/01/348716701.db2.gz WWFKURXNLDTKQC-PKFCDNJMSA-N 0 3 264.369 3.242 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1CCCC1)c1cccc(C#N)c1 ZINC000616113878 348786851 /nfs/dbraw/zinc/78/68/51/348786851.db2.gz IXDWQVYZXLTPAA-CXAGYDPISA-N 0 3 272.392 3.150 20 30 CGEDHN C[C@@H](NCCc1ccc(O)cc1)c1ccc(C#N)cc1F ZINC000358572481 233159193 /nfs/dbraw/zinc/15/91/93/233159193.db2.gz QBQDJVGTWUEOSH-GFCCVEGCSA-N 0 3 284.334 3.296 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657538 350193168 /nfs/dbraw/zinc/19/31/68/350193168.db2.gz VSSCGCWZROJHRT-CJNGLKHVSA-N 0 3 281.346 3.081 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000625699738 350197388 /nfs/dbraw/zinc/19/73/88/350197388.db2.gz GPQNKEDRTANLOJ-IKGGRYGDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000625699522 350197687 /nfs/dbraw/zinc/19/76/87/350197687.db2.gz ADZQEYRWCMJLQG-OAHLLOKOSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000625700775 350199028 /nfs/dbraw/zinc/19/90/28/350199028.db2.gz LSGIQWUXEQDMQF-CQSZACIVSA-N 0 3 284.407 3.410 20 30 CGEDHN C=CC[C@@H]1CCN(CCCn2c3ccccc3[nH]c2=O)C1 ZINC000625701881 350199702 /nfs/dbraw/zinc/19/97/02/350199702.db2.gz CFTDKWFJPRVYDF-CQSZACIVSA-N 0 3 285.391 3.030 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccsc1C(F)(F)F ZINC000628302348 350489278 /nfs/dbraw/zinc/48/92/78/350489278.db2.gz ZLGPDCBMXSBTAG-SNVBAGLBSA-N 0 3 279.327 3.184 20 30 CGEDHN CCc1ccc(F)cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000633899164 351392915 /nfs/dbraw/zinc/39/29/15/351392915.db2.gz DQWISYZVHLNEFW-OAHLLOKOSA-N 0 3 297.333 3.285 20 30 CGEDHN CCCO[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000124036747 187120155 /nfs/dbraw/zinc/12/01/55/187120155.db2.gz SZLPIMCNTVFXNH-CYBMUJFWSA-N 0 3 278.421 3.401 20 30 CGEDHN Cc1nc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1C#N ZINC000291900749 198100504 /nfs/dbraw/zinc/10/05/04/198100504.db2.gz KDGMIFDPVNEHHQ-SJLPKXTDSA-N 0 3 292.386 3.119 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271543444 191203572 /nfs/dbraw/zinc/20/35/72/191203572.db2.gz YXJBIMZTNKBMKV-KGLIPLIRSA-N 0 3 284.407 3.499 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1ccccn1)C(C)C ZINC000158609212 188385110 /nfs/dbraw/zinc/38/51/10/188385110.db2.gz FBOCNVPDMFQLGS-FUHWJXTLSA-N 0 3 287.451 3.431 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000334736582 283067351 /nfs/dbraw/zinc/06/73/51/283067351.db2.gz MFPIVEUYTRFJEC-BBRMVZONSA-N 0 3 268.360 3.174 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC000271891486 191394200 /nfs/dbraw/zinc/39/42/00/191394200.db2.gz RZPNMOMXACWTOE-JKSUJKDBSA-N 0 3 288.366 3.135 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)OCO3)CC2 ZINC000353348433 283197033 /nfs/dbraw/zinc/19/70/33/283197033.db2.gz JRADJZFRAGEVIB-INIZCTEOSA-N 0 3 292.338 3.064 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cc(C#N)ccn2)C1 ZINC000341825209 216118317 /nfs/dbraw/zinc/11/83/17/216118317.db2.gz PUOUSBUHYAFWCC-PBHICJAKSA-N 0 3 292.386 3.201 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C12CCCC2 ZINC000176979293 189017848 /nfs/dbraw/zinc/01/78/48/189017848.db2.gz MTYZOWRSNCTNLP-CABCVRRESA-N 0 3 290.432 3.447 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)s1)Oc1ccc(F)cc1 ZINC000176978370 189017883 /nfs/dbraw/zinc/01/78/83/189017883.db2.gz WVAMWMWCDDKXDV-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN COC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177168681 189033784 /nfs/dbraw/zinc/03/37/84/189033784.db2.gz WOOBZGXUDRWCQP-HNNXBMFYSA-N 0 3 277.795 3.050 20 30 CGEDHN C[C@H](NCc1ccccc1C#N)[C@H]1COc2ccccc21 ZINC000119353067 370668971 /nfs/dbraw/zinc/66/89/71/370668971.db2.gz QFSNDVZYSDRIPO-SUMWQHHRSA-N 0 3 278.355 3.213 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cn(C)nc2C)cc1 ZINC000178717924 189140132 /nfs/dbraw/zinc/14/01/32/189140132.db2.gz HUUYWVROZSNFSB-ZIAGYGMSSA-N 0 3 297.402 3.152 20 30 CGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cccs1 ZINC000182540588 189327016 /nfs/dbraw/zinc/32/70/16/189327016.db2.gz QWYFKTCINHEGQY-LBPRGKRZSA-N 0 3 272.373 3.349 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H](CC(C)C)N(C)C ZINC000302131352 201354888 /nfs/dbraw/zinc/35/48/88/201354888.db2.gz YGVMQUULVGZGGL-OAHLLOKOSA-N 0 3 287.407 3.149 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000451489082 240311245 /nfs/dbraw/zinc/31/12/45/240311245.db2.gz BUIYBLRFWZLBCG-JKSUJKDBSA-N 0 3 290.382 3.379 20 30 CGEDHN COc1ccc(CN2[C@H](C)CCC2(C)C)cc1C#N ZINC000452014905 240395510 /nfs/dbraw/zinc/39/55/10/240395510.db2.gz USPMRJIQBWGGFV-GFCCVEGCSA-N 0 3 258.365 3.330 20 30 CGEDHN N#Cc1ccc(CN2CCC(OC3CCCC3)CC2)cc1 ZINC000121111504 370831164 /nfs/dbraw/zinc/83/11/64/370831164.db2.gz IQMJHNYFDWRMJH-UHFFFAOYSA-N 0 3 284.403 3.482 20 30 CGEDHN CN(CCOCC1CCCC1)Cc1cccc(C#N)c1 ZINC000459305292 242063661 /nfs/dbraw/zinc/06/36/61/242063661.db2.gz ZOKCCXCEUZIEMT-UHFFFAOYSA-N 0 3 272.392 3.197 20 30 CGEDHN C[C@H](CCCc1cccnc1)NCc1ccc(C#N)o1 ZINC000459641035 242160478 /nfs/dbraw/zinc/16/04/78/242160478.db2.gz AGUBQOKSUJREBG-CYBMUJFWSA-N 0 3 269.348 3.047 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCc3cc(N)ccc32)c1 ZINC000335538357 212236040 /nfs/dbraw/zinc/23/60/40/212236040.db2.gz JSOZXRNDKKJSFN-GOSISDBHSA-N 0 3 277.371 3.308 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000481046280 243174166 /nfs/dbraw/zinc/17/41/66/243174166.db2.gz ZMZJNRRRKCHAQD-GHMZBOCLSA-N 0 3 293.208 3.409 20 30 CGEDHN N#Cc1ccc(N[C@@H](CN2CCCC2)c2ccccc2)nc1 ZINC000013002530 368639862 /nfs/dbraw/zinc/63/98/62/368639862.db2.gz NOHFWHUMJZFQRZ-KRWDZBQOSA-N 0 3 292.386 3.202 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cc3ccccc3n2C)n1 ZINC000125052198 370931376 /nfs/dbraw/zinc/93/13/76/370931376.db2.gz KAHHRNHUAFNAAU-LBPRGKRZSA-N 0 3 295.367 3.433 20 30 CGEDHN CCCCN(CCCC)CC(=O)Nc1sccc1C#N ZINC000029853650 368899841 /nfs/dbraw/zinc/89/98/41/368899841.db2.gz AYXJISMVGYCCQJ-UHFFFAOYSA-N 0 3 293.436 3.460 20 30 CGEDHN N#CC(C(=O)c1ccccc1OC(F)F)c1ccccn1 ZINC000041482581 369186740 /nfs/dbraw/zinc/18/67/40/369186740.db2.gz AYBNVCWWQTZIAJ-LLVKDONJSA-N 0 3 288.253 3.173 20 30 CGEDHN CC(C)CCOCCN(C)Cc1ccc(C#N)cc1 ZINC000056283599 369524727 /nfs/dbraw/zinc/52/47/27/369524727.db2.gz CEHSTQWWMSUZCZ-UHFFFAOYSA-N 0 3 260.381 3.053 20 30 CGEDHN N#CCCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000057590738 369541940 /nfs/dbraw/zinc/54/19/40/369541940.db2.gz PBSZNPNMWRRCHO-UHFFFAOYSA-N 0 3 291.826 3.151 20 30 CGEDHN C=CCN(CCC(=O)NC1CCCC1)Cc1cccs1 ZINC000060465257 369587901 /nfs/dbraw/zinc/58/79/01/369587901.db2.gz YJDICKQHVVEUAR-UHFFFAOYSA-N 0 3 292.448 3.185 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000062016421 369613289 /nfs/dbraw/zinc/61/32/89/369613289.db2.gz JRCSIEQVBLLAOP-NXEZZACHSA-N 0 3 250.729 3.019 20 30 CGEDHN C=CCCN(C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000276503211 193359351 /nfs/dbraw/zinc/35/93/51/193359351.db2.gz WPTIBHFVTOVMKM-UHFFFAOYSA-N 0 3 258.369 3.020 20 30 CGEDHN C=CCC[C@H](NC[C@H](C)C[C@@H](C)O)c1ccco1 ZINC000276511564 193362803 /nfs/dbraw/zinc/36/28/03/193362803.db2.gz ZLHAHCKPTGWNMS-MCIONIFRSA-N 0 3 251.370 3.284 20 30 CGEDHN N#Cc1ccc(NC[C@H](c2ccccc2)N2CCCC2)nc1 ZINC000075409626 369907502 /nfs/dbraw/zinc/90/75/02/369907502.db2.gz WTEZWLXTIAJTBL-QGZVFWFLSA-N 0 3 292.386 3.202 20 30 CGEDHN C=CCCOCCN[C@H](CC(C)C)c1ccccn1 ZINC000090883813 370069803 /nfs/dbraw/zinc/06/98/03/370069803.db2.gz NMNHDJVMBYYMDC-MRXNPFEDSA-N 0 3 262.397 3.351 20 30 CGEDHN COc1ccc2c(c1)CN(CC(C)(C)CCC#N)CC2 ZINC000092507775 370098292 /nfs/dbraw/zinc/09/82/92/370098292.db2.gz SZIICPCAZHZXCZ-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](COC)C1 ZINC000093337698 370118890 /nfs/dbraw/zinc/11/88/90/370118890.db2.gz LIRFSUVYKJYIBS-HNNXBMFYSA-N 0 3 275.392 3.110 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)cs2)C1(C)C ZINC000093605412 370146272 /nfs/dbraw/zinc/14/62/72/370146272.db2.gz OHRFGJFCWDDKJE-KBPBESRZSA-N 0 3 278.421 3.255 20 30 CGEDHN CC(C)[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000117347678 370586289 /nfs/dbraw/zinc/58/62/89/370586289.db2.gz UQVUYOSVFGYJSO-MRXNPFEDSA-N 0 3 285.391 3.007 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)CC[C@@H]1C ZINC000130476766 371036044 /nfs/dbraw/zinc/03/60/44/371036044.db2.gz MGHCWMNKNHNKCE-STQMWFEESA-N 0 3 258.365 3.187 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1C(C)C ZINC000130477389 371038466 /nfs/dbraw/zinc/03/84/66/371038466.db2.gz OYNWBPFKANTKFS-HNNXBMFYSA-N 0 3 258.365 3.187 20 30 CGEDHN N#CCCCN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134809410 371366210 /nfs/dbraw/zinc/36/62/10/371366210.db2.gz WKIRFTQJPWRALM-CVEARBPZSA-N 0 3 276.355 3.017 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000136958723 371488782 /nfs/dbraw/zinc/48/87/82/371488782.db2.gz JARFWTGEXHSGMG-TZMCWYRMSA-N 0 3 275.352 3.198 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151872405 371646211 /nfs/dbraw/zinc/64/62/11/371646211.db2.gz BIVNIRQEPXQAHO-IRXDYDNUSA-N 0 3 296.370 3.239 20 30 CGEDHN C[C@@H](Nc1cccc(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000287805762 371708061 /nfs/dbraw/zinc/70/80/61/371708061.db2.gz PNLLTYUKNUKSDJ-DYVFJYSZSA-N 0 3 280.375 3.057 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cccn2C(C)C)n1 ZINC000153118746 371749951 /nfs/dbraw/zinc/74/99/51/371749951.db2.gz KXAYHJVSXCXICQ-LLVKDONJSA-N 0 3 273.361 3.324 20 30 CGEDHN CCOC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000353344794 220038018 /nfs/dbraw/zinc/03/80/18/220038018.db2.gz MIHLTOXXNQGTIA-WBMJQRKESA-N 0 3 278.371 3.409 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CC=CCC1 ZINC000344075471 217040583 /nfs/dbraw/zinc/04/05/83/217040583.db2.gz USPNGEOKIKUMMW-CQSZACIVSA-N 0 3 270.376 3.355 20 30 CGEDHN CC#CCCN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000155029326 371899413 /nfs/dbraw/zinc/89/94/13/371899413.db2.gz RRYBDWZYDIGLTA-INIZCTEOSA-N 0 3 273.376 3.254 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000156147740 371964388 /nfs/dbraw/zinc/96/43/88/371964388.db2.gz YFCNEVPPJGLMOP-CQSZACIVSA-N 0 3 266.429 3.064 20 30 CGEDHN N#Cc1ccc(F)cc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159096212 372107010 /nfs/dbraw/zinc/10/70/10/372107010.db2.gz SWPIJKKZHDSWDK-LRDDRELGSA-N 0 3 258.340 3.462 20 30 CGEDHN N#CCCCCNCc1ccnc(Cl)c1Cl ZINC000290917768 372074848 /nfs/dbraw/zinc/07/48/48/372074848.db2.gz QESHWZZQJJJOAK-UHFFFAOYSA-N 0 3 258.152 3.172 20 30 CGEDHN C[C@H]1CC[C@@](CO)(N(C)CC#Cc2cccc(Cl)c2)C1 ZINC000425918048 372145026 /nfs/dbraw/zinc/14/50/26/372145026.db2.gz LNUIRCVZMLZGSP-WMLDXEAASA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@H]1CC[C@](CO)(N(C)CC#Cc2cccc(Cl)c2)C1 ZINC000425918050 372145441 /nfs/dbraw/zinc/14/54/41/372145441.db2.gz LNUIRCVZMLZGSP-YOEHRIQHSA-N 0 3 291.822 3.174 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(OCCOC)cc1 ZINC000426570515 372164926 /nfs/dbraw/zinc/16/49/26/372164926.db2.gz MILBJVSVYDQAQO-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000428042753 372179398 /nfs/dbraw/zinc/17/93/98/372179398.db2.gz WDOHTAIMAFJWHL-SFHVURJKSA-N 0 3 298.430 3.463 20 30 CGEDHN CCC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000428821189 372265715 /nfs/dbraw/zinc/26/57/15/372265715.db2.gz LFUCDHZFHPKUSE-OAHLLOKOSA-N 0 3 270.376 3.017 20 30 CGEDHN C=C(C)CN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429125784 372316754 /nfs/dbraw/zinc/31/67/54/372316754.db2.gz FMECIIPXYFFMAW-LSDHHAIUSA-N 0 3 293.794 3.105 20 30 CGEDHN CC(C)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000293189349 372321573 /nfs/dbraw/zinc/32/15/73/372321573.db2.gz QDHYRQNLGCKENB-YOEHRIQHSA-N 0 3 272.392 3.366 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC000429303388 372349115 /nfs/dbraw/zinc/34/91/15/372349115.db2.gz BNMSMUMFIPZONJ-HZPDHXFCSA-N 0 3 290.382 3.381 20 30 CGEDHN COCC(C)(C)N(C)Cc1cccc(OCCCC#N)c1 ZINC000430152601 372386283 /nfs/dbraw/zinc/38/62/83/372386283.db2.gz UFKOMISFMDBWEE-UHFFFAOYSA-N 0 3 290.407 3.226 20 30 CGEDHN Cc1cccc(NC(=O)C[C@H](C)NCC2(CC#N)CC2)c1C ZINC000430740304 372393999 /nfs/dbraw/zinc/39/39/99/372393999.db2.gz JSVXPKSWXCIASZ-AWEZNQCLSA-N 0 3 299.418 3.304 20 30 CGEDHN N#CCC1(CN[C@H]2CCCc3ccc(F)cc32)CC1 ZINC000430739501 372394715 /nfs/dbraw/zinc/39/47/15/372394715.db2.gz HUYGEVZWYSSFEW-HNNXBMFYSA-N 0 3 258.340 3.487 20 30 CGEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1ccc(F)cn1 ZINC000430756090 372396061 /nfs/dbraw/zinc/39/60/61/372396061.db2.gz SBOLCHARGGOTPL-AWEZNQCLSA-N 0 3 261.344 3.201 20 30 CGEDHN C=CCC[C@@H](CC)NCc1cc(C)nc(N2CCCC2)n1 ZINC000293788085 372483069 /nfs/dbraw/zinc/48/30/69/372483069.db2.gz UFLUAMSEKBFQJK-OAHLLOKOSA-N 0 3 288.439 3.220 20 30 CGEDHN C=C(C)CN(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000433226369 372583447 /nfs/dbraw/zinc/58/34/47/372583447.db2.gz MSBWNJSCLAAUAS-INIZCTEOSA-N 0 3 270.376 3.184 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(F)c(Cl)c1 ZINC000433270416 372585063 /nfs/dbraw/zinc/58/50/63/372585063.db2.gz QRWNOVQDPFMDTP-GFCCVEGCSA-N 0 3 271.763 3.238 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000433367732 372598549 /nfs/dbraw/zinc/59/85/49/372598549.db2.gz RMVXGZXDXZEMLK-GVDBMIGSSA-N 0 3 282.387 3.017 20 30 CGEDHN C=CCN(CCc1cscn1)CCc1ccco1 ZINC000294963412 372682568 /nfs/dbraw/zinc/68/25/68/372682568.db2.gz KFQUWHKEXORROD-UHFFFAOYSA-N 0 3 262.378 3.009 20 30 CGEDHN Cc1ccc([C@@H]2OCCC[C@H]2NCc2ccc(C#N)o2)cc1 ZINC000344608439 217248158 /nfs/dbraw/zinc/24/81/58/217248158.db2.gz XOMLPYLRTBOACL-MSOLQXFVSA-N 0 3 296.370 3.470 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000438175074 372903388 /nfs/dbraw/zinc/90/33/88/372903388.db2.gz OFNVZVYYTXYVSL-DOTOQJQBSA-N 0 3 257.352 3.442 20 30 CGEDHN CC1(C)CCC[C@@](O)(CNCc2cc(C#N)cs2)C1 ZINC000438366828 372944645 /nfs/dbraw/zinc/94/46/45/372944645.db2.gz XWMKVAOBMZXJLC-HNNXBMFYSA-N 0 3 278.421 3.041 20 30 CGEDHN Fc1ccc(C#CCN2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000438569404 372969081 /nfs/dbraw/zinc/96/90/81/372969081.db2.gz FEXSUDNKIXYPLD-IYBDPMFKSA-N 0 3 257.352 3.299 20 30 CGEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1cccc(Cl)c1 ZINC000443334769 373151760 /nfs/dbraw/zinc/15/17/60/373151760.db2.gz NBELWFRBWQONHR-JKIFEVAISA-N 0 3 291.822 3.173 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCc3ccccc32)o1 ZINC000174254041 373275863 /nfs/dbraw/zinc/27/58/63/373275863.db2.gz FGCNHHCQWJCHNX-AWEZNQCLSA-N 0 3 266.344 3.361 20 30 CGEDHN Cc1noc(C)c1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000174066955 373243599 /nfs/dbraw/zinc/24/35/99/373243599.db2.gz JUURUTOCMHKJTQ-LLVKDONJSA-N 0 3 269.348 3.056 20 30 CGEDHN CC[C@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000174343361 373296366 /nfs/dbraw/zinc/29/63/66/373296366.db2.gz LDBYOVGNAQPBKZ-CQSZACIVSA-N 0 3 254.333 3.262 20 30 CGEDHN CC(C)[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000446733774 373350602 /nfs/dbraw/zinc/35/06/02/373350602.db2.gz ABWLJNIJXCARMS-CQSZACIVSA-N 0 3 267.376 3.289 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cc(F)ccc1C ZINC000448509324 373579321 /nfs/dbraw/zinc/57/93/21/373579321.db2.gz CIIYBDBIBPFHQS-UHFFFAOYSA-N 0 3 264.388 3.074 20 30 CGEDHN CC(C)c1nnc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000449208713 373671021 /nfs/dbraw/zinc/67/10/21/373671021.db2.gz SWLVLCGNIVJZOE-BZUNDVKYSA-N 0 3 275.400 3.051 20 30 CGEDHN CC(C)c1nnc([C@H](C)NC2CCC(C)(C#N)CC2)[nH]1 ZINC000449208713 373671029 /nfs/dbraw/zinc/67/10/29/373671029.db2.gz SWLVLCGNIVJZOE-BZUNDVKYSA-N 0 3 275.400 3.051 20 30 CGEDHN C=CC[C@H]1N(Cc2c(C)nnn2CC)CCCC1(C)C ZINC000449281851 373677283 /nfs/dbraw/zinc/67/72/83/373677283.db2.gz FOZNFDYTVPCQQS-OAHLLOKOSA-N 0 3 276.428 3.173 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449350867 373682661 /nfs/dbraw/zinc/68/26/61/373682661.db2.gz XJZQAEIAMBQOAE-OBJOEFQTSA-N 0 3 273.336 3.328 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@](C)(COC)C2)cc1 ZINC000449392347 373686788 /nfs/dbraw/zinc/68/67/88/373686788.db2.gz JWNIXZGBWSPUJV-KRWDZBQOSA-N 0 3 275.392 3.110 20 30 CGEDHN CC[C@H]1CCCCN1CCNc1ccc(C#N)cc1F ZINC000301285112 373729281 /nfs/dbraw/zinc/72/92/81/373729281.db2.gz RDOYCOWMLHHJMU-AWEZNQCLSA-N 0 3 275.371 3.374 20 30 CGEDHN C=C(CC)CNCc1cn(C)nc1-c1ccc(F)cc1 ZINC000449734069 373860570 /nfs/dbraw/zinc/86/05/70/373860570.db2.gz LUIVFSVFEODVDO-UHFFFAOYSA-N 0 3 273.355 3.282 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H](N3CCCCC3)C2)CCCC1 ZINC000449854874 373944976 /nfs/dbraw/zinc/94/49/76/373944976.db2.gz YTDZYZVCODPNEQ-INIZCTEOSA-N 0 3 290.451 3.210 20 30 CGEDHN C=CCC[C@H](NCC(=O)NCC1CCC1)c1ccccc1 ZINC000180050391 373959801 /nfs/dbraw/zinc/95/98/01/373959801.db2.gz WQTZLCFZEBOTLM-KRWDZBQOSA-N 0 3 286.419 3.200 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CCCC1 ZINC000449803790 373933175 /nfs/dbraw/zinc/93/31/75/373933175.db2.gz MEYHJZWTCZFBJE-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000182082239 374217537 /nfs/dbraw/zinc/21/75/37/374217537.db2.gz BJXOZCYRWFNXLR-FZKQIMNGSA-N 0 3 298.361 3.256 20 30 CGEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000329772535 374428565 /nfs/dbraw/zinc/42/85/65/374428565.db2.gz HMSPWTBTOIQKSH-KMFMINBZSA-N 0 3 289.423 3.290 20 30 CGEDHN Cc1cc([C@@H](C)NCCOc2ccc(C#N)cc2)c(C)o1 ZINC000183800660 374457804 /nfs/dbraw/zinc/45/78/04/374457804.db2.gz UHSMLBSGYNGOIP-CYBMUJFWSA-N 0 3 284.359 3.498 20 30 CGEDHN CC(C)COC[C@H](NCCCCC#N)c1ccco1 ZINC000184170544 374500169 /nfs/dbraw/zinc/50/01/69/374500169.db2.gz BKIXAHJCSANPBB-AWEZNQCLSA-N 0 3 264.369 3.277 20 30 CGEDHN CC[C@H]1[C@@H](C)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332158343 374556622 /nfs/dbraw/zinc/55/66/22/374556622.db2.gz UQCXJFKHZIPWOX-WFASDCNBSA-N 0 3 296.374 3.229 20 30 CGEDHN CC(C)O[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000185221050 374612484 /nfs/dbraw/zinc/61/24/84/374612484.db2.gz RSGFIEZSOVFQOR-HOTGVXAUSA-N 0 3 290.382 3.379 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000334149328 374648592 /nfs/dbraw/zinc/64/85/92/374648592.db2.gz HHIKTFLMARVBKF-GXFFZTMASA-N 0 3 262.740 3.163 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000185752519 374729963 /nfs/dbraw/zinc/72/99/63/374729963.db2.gz JOVBJMINIJTDKI-QXAKKESOSA-N 0 3 297.446 3.495 20 30 CGEDHN C=C(C)CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334513745 374809698 /nfs/dbraw/zinc/80/96/98/374809698.db2.gz MXESHKKRJNGGHR-GFCCVEGCSA-N 0 3 277.330 3.244 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1F)N1CCC[C@]2(CCOC2)C1 ZINC000334531258 374826498 /nfs/dbraw/zinc/82/64/98/374826498.db2.gz QYZBSYRYLJGOLI-GUYCJALGSA-N 0 3 288.366 3.261 20 30 CGEDHN C=CCOc1ccc(CNCC(C)(C)OCC)cc1OC ZINC000186541881 374870803 /nfs/dbraw/zinc/87/08/03/374870803.db2.gz OLKMAXNXSRMWQZ-UHFFFAOYSA-N 0 3 293.407 3.165 20 30 CGEDHN CN(C)CCSCc1ccc(Cl)cc1C#N ZINC000186629932 374889042 /nfs/dbraw/zinc/88/90/42/374889042.db2.gz FCMRAGMHMRNQEU-UHFFFAOYSA-N 0 3 254.786 3.006 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 ZINC000186688655 374898327 /nfs/dbraw/zinc/89/83/27/374898327.db2.gz DYEDQKOEWMUTES-RKDXNWHRSA-N 0 3 290.226 3.098 20 30 CGEDHN Cc1noc([C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000186816146 374921001 /nfs/dbraw/zinc/92/10/01/374921001.db2.gz SJTOOAZKAFJXPJ-LRDDRELGSA-N 0 3 296.374 3.190 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](CC(C)C)C1 ZINC000466735191 374969580 /nfs/dbraw/zinc/96/95/80/374969580.db2.gz ABHFIFKFTACGCX-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN Cc1cccc(CN2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000471713605 375006201 /nfs/dbraw/zinc/00/62/01/375006201.db2.gz HDZFLVXCBAASGL-UHFFFAOYSA-N 0 3 299.462 3.443 20 30 CGEDHN CC(C)(O)c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000187503419 375032612 /nfs/dbraw/zinc/03/26/12/375032612.db2.gz PVHJBCYHJDWAOQ-UHFFFAOYSA-N 0 3 286.400 3.137 20 30 CGEDHN C=C(C)[C@@H](NC[C@H](C)OC)c1ccc(F)c(F)c1 ZINC000187790301 375095066 /nfs/dbraw/zinc/09/50/66/375095066.db2.gz RWYPRILSHXHCLT-IINYFYTJSA-N 0 3 255.308 3.207 20 30 CGEDHN C=C(C)CN(C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000481292578 375163978 /nfs/dbraw/zinc/16/39/78/375163978.db2.gz ZVIMNLOSKUEGKX-UHFFFAOYSA-N 0 3 297.782 3.013 20 30 CGEDHN C=CC[C@H](C)NCc1cc(C(=O)OC)ccc1Cl ZINC000482216253 375169244 /nfs/dbraw/zinc/16/92/44/375169244.db2.gz CVMJKPAMLHMSQK-JTQLQIEISA-N 0 3 267.756 3.181 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000487958493 375288370 /nfs/dbraw/zinc/28/83/70/375288370.db2.gz ZFYCVHTZDWNDBH-SFHVURJKSA-N 0 3 299.462 3.260 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(F)c(Br)c2)C1 ZINC000335285757 375258693 /nfs/dbraw/zinc/25/86/93/375258693.db2.gz ZWFCUFKJMJOOGJ-GXSJLCMTSA-N 0 3 297.171 3.370 20 30 CGEDHN CC(C#N)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000335369131 375266952 /nfs/dbraw/zinc/26/69/52/375266952.db2.gz SMOGPCMYIFJCSH-MLGOLLRUSA-N 0 3 268.360 3.215 20 30 CGEDHN N#Cc1csc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000335827245 375463470 /nfs/dbraw/zinc/46/34/70/375463470.db2.gz DWTTXCBHLZIBPW-HNNXBMFYSA-N 0 3 288.416 3.011 20 30 CGEDHN Cn1cc(CN[C@H]2CCSc3ccccc32)cc1C#N ZINC000189586712 375418550 /nfs/dbraw/zinc/41/85/50/375418550.db2.gz HNGFURZUXQGHRM-HNNXBMFYSA-N 0 3 283.400 3.223 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](C2CC2)C1 ZINC000494755055 375491646 /nfs/dbraw/zinc/49/16/46/375491646.db2.gz AWKUNNSKCBHIGP-ROUUACIJSA-N 0 3 296.414 3.408 20 30 CGEDHN Cc1cc(CN2CCC[C@H]2[C@@H]2CCCO2)ccc1C#N ZINC000335933689 375550134 /nfs/dbraw/zinc/55/01/34/375550134.db2.gz NSHGURWUJXKDLX-IRXDYDNUSA-N 0 3 270.376 3.010 20 30 CGEDHN N#CCCCN(CCc1ccccc1)Cc1cccnc1 ZINC000191347978 375614014 /nfs/dbraw/zinc/61/40/14/375614014.db2.gz MXQPMBASNKDVPL-UHFFFAOYSA-N 0 3 279.387 3.430 20 30 CGEDHN Cc1csc(NC(=O)C(C)C(F)(F)F)c1C#N ZINC000335992226 375599946 /nfs/dbraw/zinc/59/99/46/375599946.db2.gz DDAUSUNOAXJRES-LURJTMIESA-N 0 3 262.256 3.065 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(C)cc2Cl)CC1 ZINC000191237541 375600725 /nfs/dbraw/zinc/60/07/25/375600725.db2.gz HAPGTFQCKZJVBQ-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN CCN1C[C@H](C)N(CC#Cc2ccccc2Cl)C[C@H]1C ZINC000498907126 375629210 /nfs/dbraw/zinc/62/92/10/375629210.db2.gz ZRGOFOKRSZCOOV-CABCVRRESA-N 0 3 290.838 3.106 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1csc2ccccc12 ZINC000335999340 375605000 /nfs/dbraw/zinc/60/50/00/375605000.db2.gz QZEHFBISTQTYOD-SNVBAGLBSA-N 0 3 258.346 3.019 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000121170367 542015221 /nfs/dbraw/zinc/01/52/21/542015221.db2.gz QRRHCOPCCLBWRG-MRXNPFEDSA-N 0 3 297.402 3.354 20 30 CGEDHN Cc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1C#N ZINC000336096254 375684356 /nfs/dbraw/zinc/68/43/56/375684356.db2.gz XPIOKURHLMRJRY-RDTXWAMCSA-N 0 3 294.402 3.146 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000336388980 375785777 /nfs/dbraw/zinc/78/57/77/375785777.db2.gz AEFCKVNBBPFXRO-JQWIXIFHSA-N 0 3 285.372 3.119 20 30 CGEDHN C[C@@H]1CSC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000336586220 375852749 /nfs/dbraw/zinc/85/27/49/375852749.db2.gz MHNLHPVVXMKMLJ-NOZJJQNGSA-N 0 3 266.797 3.053 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(C1)CCCCC2 ZINC000525124638 375881337 /nfs/dbraw/zinc/88/13/37/375881337.db2.gz DAFJXXHMQVEELZ-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN CC[C@H](C)CN(CC)Cc1cccc(C(=O)OC)c1C#N ZINC000535207742 376030607 /nfs/dbraw/zinc/03/06/07/376030607.db2.gz SWGNVSJASZBIJY-ZDUSSCGKSA-N 0 3 288.391 3.213 20 30 CGEDHN C=CCN1CC[C@H](N2CCCCC[C@H]2c2ccccc2)C1=O ZINC000337147977 376102733 /nfs/dbraw/zinc/10/27/33/376102733.db2.gz ZSWKWFWIVWEINQ-ROUUACIJSA-N 0 3 298.430 3.391 20 30 CGEDHN CC(C)CN(Cc1ccc(CO)o1)Cc1ccc(C#N)cc1 ZINC000536637603 376104995 /nfs/dbraw/zinc/10/49/95/376104995.db2.gz XYMLXJYDRUGGQH-UHFFFAOYSA-N 0 3 298.386 3.302 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2cccc(C)c2C)C1=O ZINC000337197414 376131203 /nfs/dbraw/zinc/13/12/03/376131203.db2.gz XDLAPQAMTDZDKU-ROUUACIJSA-N 0 3 298.430 3.227 20 30 CGEDHN C[C@H]1c2ccsc2CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000218348535 376187719 /nfs/dbraw/zinc/18/77/19/376187719.db2.gz BDNPMWQLEDASSR-BLLLJJGKSA-N 0 3 298.411 3.272 20 30 CGEDHN C=CCCc1ccccc1NC(=O)NC[C@@H]1CCCN1C ZINC000337597011 376231720 /nfs/dbraw/zinc/23/17/20/376231720.db2.gz KEICPRHRUZOQDN-HNNXBMFYSA-N 0 3 287.407 3.021 20 30 CGEDHN C[C@@H](C#N)CN(C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000338286606 376315024 /nfs/dbraw/zinc/31/50/24/376315024.db2.gz NJSHKNHBKDDYQS-NWDGAFQWSA-N 0 3 256.340 3.436 20 30 CGEDHN C=CCN(CCSC(C)C)CCc1ccco1 ZINC000338288036 376316048 /nfs/dbraw/zinc/31/60/48/376316048.db2.gz GEXMVNYZPXPWJK-UHFFFAOYSA-N 0 3 253.411 3.452 20 30 CGEDHN C[C@@H](NC[C@@H](O)c1ccsc1)c1cccc(C#N)c1 ZINC000224672258 376285880 /nfs/dbraw/zinc/28/58/80/376285880.db2.gz WQEXFKIBZIBWJW-IAQYHMDHSA-N 0 3 272.373 3.004 20 30 CGEDHN N#CCc1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000541283340 376434882 /nfs/dbraw/zinc/43/48/82/376434882.db2.gz XZBXOJZUZWTDRB-IBGZPJMESA-N 0 3 291.398 3.439 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000542577305 376560396 /nfs/dbraw/zinc/56/03/96/376560396.db2.gz BPBHKYVQBWQCPE-UKRRQHHQSA-N 0 3 277.795 3.096 20 30 CGEDHN CCCn1nc(C)c(CN2CCC(CC#N)CC2)c1C ZINC000542854200 376587788 /nfs/dbraw/zinc/58/77/88/376587788.db2.gz OGQKHJQRHMYPFS-UHFFFAOYSA-N 0 3 274.412 3.036 20 30 CGEDHN C=CCOCCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000339135741 376701562 /nfs/dbraw/zinc/70/15/62/376701562.db2.gz KLCMCYJWTWDBFB-HNNXBMFYSA-N 0 3 283.799 3.162 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc(C)cc(C)c2C#N)CC1 ZINC000264481360 190113155 /nfs/dbraw/zinc/11/31/55/190113155.db2.gz LOGVXVSBVDEJOW-UHFFFAOYSA-N 0 3 284.407 3.023 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3ncc4n3CCCC4)C2)C1 ZINC000339158125 376717193 /nfs/dbraw/zinc/71/71/93/376717193.db2.gz ZTUNMNAXFYTKPU-BZUAXINKSA-N 0 3 298.434 3.091 20 30 CGEDHN CCc1ccc([C@H]2CCCN(CCOCCC#N)C2)cc1 ZINC000339195861 376734818 /nfs/dbraw/zinc/73/48/18/376734818.db2.gz ODFHBQVMTQACDB-SFHVURJKSA-N 0 3 286.419 3.359 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]3CCC[C@H]32)ccc1F ZINC000246569222 377052790 /nfs/dbraw/zinc/05/27/90/377052790.db2.gz LCAKPKWGOHANEK-CZUORRHYSA-N 0 3 258.340 3.462 20 30 CGEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCc1ccc(C#N)cn1 ZINC000558245525 376989146 /nfs/dbraw/zinc/98/91/46/376989146.db2.gz KYUYFQQOGXTYGX-GOSISDBHSA-N 0 3 297.377 3.449 20 30 CGEDHN COc1cc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)ccn1 ZINC000340492956 377100636 /nfs/dbraw/zinc/10/06/36/377100636.db2.gz XPWYNDYJIXAYTH-CHWSQXEVSA-N 0 3 281.359 3.374 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000247273338 377188031 /nfs/dbraw/zinc/18/80/31/377188031.db2.gz GUIDRUGRGVCACY-QLFBSQMISA-N 0 3 263.381 3.380 20 30 CGEDHN COc1ccc2c(c1)CCN(Cc1ccccc1C#N)CC2 ZINC000340734811 377242120 /nfs/dbraw/zinc/24/21/20/377242120.db2.gz GUTKWDGPIKFQBL-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN CC(C)N(Cc1cccc(C#N)c1F)C1CCOCC1 ZINC000340828049 377275129 /nfs/dbraw/zinc/27/51/29/377275129.db2.gz AWLKIQHAZJTMDU-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN C[C@H](C#N)CN(CC1Cc2ccccc2C1)C1CC1 ZINC000567287759 377506048 /nfs/dbraw/zinc/50/60/48/377506048.db2.gz OMYCQQGODPMOJU-CYBMUJFWSA-N 0 3 254.377 3.025 20 30 CGEDHN C=CCCCCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000565213561 377484956 /nfs/dbraw/zinc/48/49/56/377484956.db2.gz CDFJXGLQSJXKMG-UHFFFAOYSA-N 0 3 261.291 3.265 20 30 CGEDHN CCC[C@H](C)[C@@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000566305485 377494769 /nfs/dbraw/zinc/49/47/69/377494769.db2.gz XPPSEPWPQKWQBF-XJKSGUPXSA-N 0 3 279.811 3.078 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000568602420 377520409 /nfs/dbraw/zinc/52/04/09/377520409.db2.gz ZQVDNDDJOHHZBA-KGLIPLIRSA-N 0 3 280.412 3.122 20 30 CGEDHN N#CCC1(CNCc2c(C3CC3)nc3sccn23)CC1 ZINC000568853554 377523421 /nfs/dbraw/zinc/52/34/21/377523421.db2.gz WQZQYFNYYQDODI-UHFFFAOYSA-N 0 3 286.404 3.057 20 30 CGEDHN N#Cc1csc(CNCCCOc2ccccc2)c1 ZINC000093492212 249037619 /nfs/dbraw/zinc/03/76/19/249037619.db2.gz MHTIICBMFUMERA-UHFFFAOYSA-N 0 3 272.373 3.178 20 30 CGEDHN C[C@H](N(C)Cc1cn2ccccc2c1C#N)C1(C)CC1 ZINC000177215685 249053229 /nfs/dbraw/zinc/05/32/29/249053229.db2.gz CQKDFABZUNRNPQ-ZDUSSCGKSA-N 0 3 267.376 3.431 20 30 CGEDHN Cc1cc(NC[C@H](c2cccc(F)c2)N(C)C)cc(C#N)n1 ZINC000341369303 377533659 /nfs/dbraw/zinc/53/36/59/377533659.db2.gz KFNCIMKHCZRSRL-QGZVFWFLSA-N 0 3 298.365 3.116 20 30 CGEDHN C=CCCNCc1cc(Br)ccc1OC ZINC000168509308 542178253 /nfs/dbraw/zinc/17/82/53/542178253.db2.gz NGUJLIXKTNDCPF-UHFFFAOYSA-N 0 3 270.170 3.123 20 30 CGEDHN CC/C=C/CCN1CCN(c2ccccc2C#N)CC1 ZINC000342196118 377633718 /nfs/dbraw/zinc/63/37/18/377633718.db2.gz DNTNHTDPSMEJMR-ONEGZZNKSA-N 0 3 269.392 3.037 20 30 CGEDHN CC(C#N)C(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000342753700 377776035 /nfs/dbraw/zinc/77/60/35/377776035.db2.gz HFKXZMOEZSSNFR-UMVBOHGHSA-N 0 3 256.349 3.146 20 30 CGEDHN CCC[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000342768725 377780474 /nfs/dbraw/zinc/78/04/74/377780474.db2.gz MQHMSFJIBNSPQN-OAHLLOKOSA-N 0 3 282.391 3.361 20 30 CGEDHN Cc1nsc(NC[C@@H]2CCCCN2CC(C)C)c1C#N ZINC000342780009 377785871 /nfs/dbraw/zinc/78/58/71/377785871.db2.gz LWERZCVJBWEOHE-ZDUSSCGKSA-N 0 3 292.452 3.246 20 30 CGEDHN CCCN(CC1(C#N)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000343320764 377952232 /nfs/dbraw/zinc/95/22/32/377952232.db2.gz MNCHFSQPKAUPKG-KBPBESRZSA-N 0 3 264.413 3.206 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1C(F)F ZINC000343378694 377963239 /nfs/dbraw/zinc/96/32/39/377963239.db2.gz FTBFJFUSGFCUCV-KBPBESRZSA-N 0 3 292.329 3.015 20 30 CGEDHN Cc1c(Cl)cnc(N[C@@H](C)CN2CCCCC2)c1C#N ZINC000343447309 377982255 /nfs/dbraw/zinc/98/22/55/377982255.db2.gz ZCWRDDVBNWFPAS-NSHDSACASA-N 0 3 292.814 3.201 20 30 CGEDHN C=CCN(CC=C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343624546 378044586 /nfs/dbraw/zinc/04/45/86/378044586.db2.gz WRLSERDHJFAESF-HNNXBMFYSA-N 0 3 297.406 3.178 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000268564476 378075248 /nfs/dbraw/zinc/07/52/48/378075248.db2.gz PUUAXFFPHWKLPV-JSGCOSHPSA-N 0 3 280.437 3.088 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1sc(CC)nc1C ZINC000268577278 378076709 /nfs/dbraw/zinc/07/67/09/378076709.db2.gz SDVQTELOMUXGFA-CHWSQXEVSA-N 0 3 282.453 3.334 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000268680575 378089661 /nfs/dbraw/zinc/08/96/61/378089661.db2.gz WYVYAIKNDOEBJS-WCQYABFASA-N 0 3 269.335 3.285 20 30 CGEDHN C=CCN1CCC(NC(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000269753085 378263580 /nfs/dbraw/zinc/26/35/80/378263580.db2.gz SBEHLIMNFCPCDM-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCC[C@H](NC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000269614184 378243534 /nfs/dbraw/zinc/24/35/34/378243534.db2.gz SBKKRZNVFAXIFX-KRWDZBQOSA-N 0 3 286.419 3.152 20 30 CGEDHN C#CCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000270677348 378386277 /nfs/dbraw/zinc/38/62/77/378386277.db2.gz YBCBLFYZBFNJAO-CYBMUJFWSA-N 0 3 274.433 3.225 20 30 CGEDHN C[C@H](NCCC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271942543 378525748 /nfs/dbraw/zinc/52/57/48/378525748.db2.gz MGDKAHFLCFGHKY-NSHDSACASA-N 0 3 292.354 3.080 20 30 CGEDHN CCn1cc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000271457199 378492716 /nfs/dbraw/zinc/49/27/16/378492716.db2.gz JNAUPPAPXIFQGG-KBPBESRZSA-N 0 3 298.390 3.217 20 30 CGEDHN CC[C@H]1CC[C@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000271455352 378493467 /nfs/dbraw/zinc/49/34/67/378493467.db2.gz DJDKCDIGHYRSDV-HOTGVXAUSA-N 0 3 299.418 3.196 20 30 CGEDHN C[C@H](NC[C@H]1CSCCS1)c1ccc(C#N)c(F)c1 ZINC000271924178 378518291 /nfs/dbraw/zinc/51/82/91/378518291.db2.gz FTHVWWZVRRBDBD-GWCFXTLKSA-N 0 3 296.436 3.197 20 30 CGEDHN C=CCOCCCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000348028225 378758570 /nfs/dbraw/zinc/75/85/70/378758570.db2.gz CPAWYULCEYEIKS-OAHLLOKOSA-N 0 3 294.464 3.019 20 30 CGEDHN C=C(C)CCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000274804651 378898669 /nfs/dbraw/zinc/89/86/69/378898669.db2.gz GGLMTASQUVFSTI-AWEZNQCLSA-N 0 3 255.308 3.208 20 30 CGEDHN Cn1cc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000276740497 378990333 /nfs/dbraw/zinc/99/03/33/378990333.db2.gz IWVLQZQOCRTZQW-HNNXBMFYSA-N 0 3 283.350 3.025 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1F)[C@H]1COc2ccccc21 ZINC000348759516 379042942 /nfs/dbraw/zinc/04/29/42/379042942.db2.gz BGQZKXFZJJMCJE-BLLLJJGKSA-N 0 3 296.345 3.352 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000266337183 190250379 /nfs/dbraw/zinc/25/03/79/190250379.db2.gz HTJVWUGLACLDEE-UHFFFAOYSA-N 0 3 273.355 3.150 20 30 CGEDHN C[C@@H](NC1CC(F)(F)C1)c1ccc(C#N)c(F)c1 ZINC000277110405 379071863 /nfs/dbraw/zinc/07/18/63/379071863.db2.gz MJLCFJGITIEXKW-MRVPVSSYSA-N 0 3 254.255 3.146 20 30 CGEDHN CC[C@H](NC[C@H](O)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000278771008 194149017 /nfs/dbraw/zinc/14/90/17/194149017.db2.gz PDXDJFSPRAFPRD-ROUUACIJSA-N 0 3 298.361 3.472 20 30 CGEDHN N#Cc1nc(NC[C@@H]2CCCCN2C2CC2)ccc1Cl ZINC000277548419 379184052 /nfs/dbraw/zinc/18/40/52/379184052.db2.gz XLNXUECBBYQJGO-LBPRGKRZSA-N 0 3 290.798 3.035 20 30 CGEDHN CC[C@H](NCc1cccnc1)c1ccc(C#N)cc1 ZINC000278199664 379315239 /nfs/dbraw/zinc/31/52/39/379315239.db2.gz GINRQVVZFQXFHP-INIZCTEOSA-N 0 3 251.333 3.194 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H]1CCO[C@@H]1C ZINC000639435028 379383004 /nfs/dbraw/zinc/38/30/04/379383004.db2.gz MHGPIFAKLHRKPP-OLZOCXBDSA-N 0 3 251.395 3.161 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000349830718 379409809 /nfs/dbraw/zinc/40/98/09/379409809.db2.gz RABGZULKWZIJCA-CMPLNLGQSA-N 0 3 284.281 3.367 20 30 CGEDHN C#CCN(CC)Cc1ccc(OCc2ccccn2)cc1 ZINC000266894367 190288334 /nfs/dbraw/zinc/28/83/34/190288334.db2.gz DSARIYHERAPMGV-UHFFFAOYSA-N 0 3 280.371 3.116 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(c2ccc(F)cn2)CC1 ZINC000639874736 379620151 /nfs/dbraw/zinc/62/01/51/379620151.db2.gz ZKZVPHKXWNNUKA-CYBMUJFWSA-N 0 3 260.356 3.202 20 30 CGEDHN COc1ccccc1C1(CNCc2ccc(C#N)s2)CC1 ZINC000267223582 190312875 /nfs/dbraw/zinc/31/28/75/190312875.db2.gz TYMIMUKXSCQXQJ-UHFFFAOYSA-N 0 3 298.411 3.450 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1sccc1Cl ZINC000280604266 379744678 /nfs/dbraw/zinc/74/46/78/379744678.db2.gz JOARUELUGFWGET-MFKMUULPSA-N 0 3 271.813 3.472 20 30 CGEDHN C=C(C)CCN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000352006609 379751282 /nfs/dbraw/zinc/75/12/82/379751282.db2.gz UUVCBHYMRIYEKK-MRXNPFEDSA-N 0 3 272.392 3.080 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(F)c(F)cc1F ZINC000280768783 379784476 /nfs/dbraw/zinc/78/44/76/379784476.db2.gz ZJCOBSGXBDGNTM-BMIGLBTASA-N 0 3 285.309 3.175 20 30 CGEDHN COc1cc(CN[C@@H]2C[C@H]2CC(C)C)ccc1C#N ZINC000395315616 379921370 /nfs/dbraw/zinc/92/13/70/379921370.db2.gz IWXIQPGMTDQHDX-HUUCEWRRSA-N 0 3 258.365 3.091 20 30 CGEDHN CC(C)CSCCNCc1ccc(C#N)c(F)c1 ZINC000403991684 379976609 /nfs/dbraw/zinc/97/66/09/379976609.db2.gz JLYVLPFOCXJAGY-UHFFFAOYSA-N 0 3 266.385 3.176 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000404018201 379977650 /nfs/dbraw/zinc/97/76/50/379977650.db2.gz SEMMCYKAWQZGIN-CYBMUJFWSA-N 0 3 278.396 3.272 20 30 CGEDHN CC(C)OCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352844776 380000831 /nfs/dbraw/zinc/00/08/31/380000831.db2.gz GLQCPJJYCKEDJD-UHFFFAOYSA-N 0 3 286.297 3.092 20 30 CGEDHN C=C(C)CN(CC[C@@H]1CCCO1)Cc1cnn(C(C)C)c1 ZINC000352904955 380029072 /nfs/dbraw/zinc/02/90/72/380029072.db2.gz WFWJZZFMMJFLSV-KRWDZBQOSA-N 0 3 291.439 3.411 20 30 CGEDHN COCCC1(CNCc2nc(C#N)cs2)CCCCC1 ZINC000352950640 380053066 /nfs/dbraw/zinc/05/30/66/380053066.db2.gz UCIQWRWKPGABDW-UHFFFAOYSA-N 0 3 293.436 3.091 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCCOC1 ZINC000352956521 380055337 /nfs/dbraw/zinc/05/53/37/380055337.db2.gz VPINHUBKVMDZED-MRXNPFEDSA-N 0 3 291.439 3.269 20 30 CGEDHN C[C@H]1C[C@H](Nc2ncccc2C#N)CN1Cc1ccccc1 ZINC000268117716 190378156 /nfs/dbraw/zinc/37/81/56/190378156.db2.gz FDVFQMPTBKRCJH-YOEHRIQHSA-N 0 3 292.386 3.028 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)c1ccccc1-n1cccn1 ZINC000411465264 380147276 /nfs/dbraw/zinc/14/72/76/380147276.db2.gz WGQDCCWXVACOPQ-ZIAGYGMSSA-N 0 3 268.364 3.215 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(-n2cccn2)cc1 ZINC000414160609 380195207 /nfs/dbraw/zinc/19/52/07/380195207.db2.gz DEXBKFUGCXSSQH-AWEZNQCLSA-N 0 3 282.391 3.463 20 30 CGEDHN N#Cc1csc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000353973026 380258774 /nfs/dbraw/zinc/25/87/74/380258774.db2.gz PDUDMOAKLLPGPZ-HNNXBMFYSA-N 0 3 268.385 3.437 20 30 CGEDHN CC(C)SCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353592324 380215628 /nfs/dbraw/zinc/21/56/28/380215628.db2.gz AGHBCKJJFCJZIN-HNNXBMFYSA-N 0 3 260.406 3.277 20 30 CGEDHN Cc1nn(C)cc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353916566 380233233 /nfs/dbraw/zinc/23/32/33/380233233.db2.gz QQYWPKYOWIBSMW-QGZVFWFLSA-N 0 3 282.391 3.253 20 30 CGEDHN CN(C)Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c(F)c1 ZINC000414496850 380272547 /nfs/dbraw/zinc/27/25/47/380272547.db2.gz JDUUZIWBKMADIX-TZMCWYRMSA-N 0 3 275.371 3.382 20 30 CGEDHN CC(C)COc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354469456 380451853 /nfs/dbraw/zinc/45/18/53/380451853.db2.gz QXJTYWMJTKKEJI-HNNXBMFYSA-N 0 3 295.342 3.001 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415895968 380516089 /nfs/dbraw/zinc/51/60/89/380516089.db2.gz NKSWHLUXXFLIQU-CYBMUJFWSA-N 0 3 287.407 3.199 20 30 CGEDHN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)CC(C)C ZINC000417358410 380607888 /nfs/dbraw/zinc/60/78/88/380607888.db2.gz HUTIDUPBPPLKOL-RDJZCZTQSA-N 0 3 272.392 3.196 20 30 CGEDHN COC(C)(C)[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000645425024 380677610 /nfs/dbraw/zinc/67/76/10/380677610.db2.gz GFOXVMBJDJAQFK-LBPRGKRZSA-N 0 3 299.336 3.460 20 30 CGEDHN C=CCOc1cccc(CN2CCOCC3(CCC3)C2)c1 ZINC000355516339 380695318 /nfs/dbraw/zinc/69/53/18/380695318.db2.gz RVXIGALPFDGPCH-UHFFFAOYSA-N 0 3 287.403 3.254 20 30 CGEDHN CC(C)C[C@]1(CO)CCCN1Cc1cccc(C#N)c1F ZINC000355745826 380767205 /nfs/dbraw/zinc/76/72/05/380767205.db2.gz MRHICAGSEGGHAA-KRWDZBQOSA-N 0 3 290.382 3.070 20 30 CGEDHN N#Cc1ccc(CN(CCOCC2CCC2)C2CC2)cc1 ZINC000419188908 380775528 /nfs/dbraw/zinc/77/55/28/380775528.db2.gz JQMFRLLAKSZFRN-UHFFFAOYSA-N 0 3 284.403 3.339 20 30 CGEDHN C=C(C)CN[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017762 380801471 /nfs/dbraw/zinc/80/14/71/380801471.db2.gz FYHGZPQMCFHVEE-ZDUSSCGKSA-N 0 3 289.297 3.174 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419334174 380805890 /nfs/dbraw/zinc/80/58/90/380805890.db2.gz GJXIZPHHSAIRTE-OAHLLOKOSA-N 0 3 298.430 3.415 20 30 CGEDHN C=C(C)CN1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420927106 380862632 /nfs/dbraw/zinc/86/26/32/380862632.db2.gz NXJTYWMJHKSPEW-STQMWFEESA-N 0 3 253.386 3.005 20 30 CGEDHN N#Cc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cc1F ZINC000421382306 380926575 /nfs/dbraw/zinc/92/65/75/380926575.db2.gz MNMIYFCTZSNDST-WBVHZDCISA-N 0 3 270.351 3.318 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)s2)CS1 ZINC000421348408 380887907 /nfs/dbraw/zinc/88/79/07/380887907.db2.gz FXCIQTOHIMNMGH-GWCFXTLKSA-N 0 3 266.435 3.239 20 30 CGEDHN C[C@H]1CCN(CCOc2ccccc2C#N)CC12CCC2 ZINC000357022480 380994872 /nfs/dbraw/zinc/99/48/72/380994872.db2.gz JXDMKVZXADOVRH-HNNXBMFYSA-N 0 3 284.403 3.449 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@@H](C)C1CCC1 ZINC000357044725 381008549 /nfs/dbraw/zinc/00/85/49/381008549.db2.gz SLCJKJQLRFFUPI-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000357527343 381196656 /nfs/dbraw/zinc/19/66/56/381196656.db2.gz JIKZRCKCNZFMNZ-HNNXBMFYSA-N 0 3 299.336 3.259 20 30 CGEDHN C[C@@H]1CCCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000358378885 381308370 /nfs/dbraw/zinc/30/83/70/381308370.db2.gz CJLLHUGWXYYRMU-MRXNPFEDSA-N 0 3 299.418 3.198 20 30 CGEDHN C=C(CNC(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC000360210265 381479107 /nfs/dbraw/zinc/47/91/07/381479107.db2.gz WGGFLYUFKFLSHV-UHFFFAOYSA-N 0 3 294.398 3.191 20 30 CGEDHN N#Cc1cccc(CN(CC2CC2)C2CCC2)c1F ZINC000361586649 381821269 /nfs/dbraw/zinc/82/12/69/381821269.db2.gz TVBQAQUWIFYTBO-UHFFFAOYSA-N 0 3 258.340 3.462 20 30 CGEDHN N#CC(C(=O)c1ccc(F)c2ccccc12)c1ccncn1 ZINC000361793166 381870234 /nfs/dbraw/zinc/87/02/34/381870234.db2.gz VLISMLGUVGOSKW-CQSZACIVSA-N 0 3 291.285 3.259 20 30 CGEDHN COCCN(Cc1ccc(F)c(C#N)c1)[C@H]1CC[C@@H](C)C1 ZINC000362166023 381894175 /nfs/dbraw/zinc/89/41/75/381894175.db2.gz WZINKWJPUAVANM-CJNGLKHVSA-N 0 3 290.382 3.334 20 30 CGEDHN COC[C@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000368660285 382379417 /nfs/dbraw/zinc/37/94/17/382379417.db2.gz RIIAHKMQRUEDCO-INIZCTEOSA-N 0 3 291.822 3.440 20 30 CGEDHN CN(CCCCC(C)(C)C#N)[C@H]1CCCc2c1cnn2C ZINC000369000802 382385639 /nfs/dbraw/zinc/38/56/39/382385639.db2.gz JMIDZQYVYFEOOE-HNNXBMFYSA-N 0 3 288.439 3.449 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@]2(CCOC2)C1 ZINC000335241960 208010193 /nfs/dbraw/zinc/01/01/93/208010193.db2.gz UDIUWQUQLYBGAX-RHSMWYFYSA-N 0 3 270.376 3.122 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H](c3ccncc3)C2)ccc1F ZINC000289338613 197301878 /nfs/dbraw/zinc/30/18/78/197301878.db2.gz LPNJQIUKIJQYFF-INIZCTEOSA-N 0 3 295.361 3.472 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000354553512 533115984 /nfs/dbraw/zinc/11/59/84/533115984.db2.gz XFMJYYBLWYUBHA-STQMWFEESA-N 0 3 279.343 3.085 20 30 CGEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439455623 533125597 /nfs/dbraw/zinc/12/55/97/533125597.db2.gz VHGITEIHYLEAKI-AWEZNQCLSA-N 0 3 292.810 3.460 20 30 CGEDHN C[C@@H]1[C@H](Nc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000288367626 197060136 /nfs/dbraw/zinc/06/01/36/197060136.db2.gz YGAYZGQSRHLETJ-RHSMWYFYSA-N 0 3 292.386 3.028 20 30 CGEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000281456162 195248121 /nfs/dbraw/zinc/24/81/21/195248121.db2.gz APXOMUIWQJHDHV-CYBMUJFWSA-N 0 3 296.370 3.426 20 30 CGEDHN COCC[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000414187514 533306155 /nfs/dbraw/zinc/30/61/55/533306155.db2.gz DMJYYSFYDWRLCG-RYUDHWBXSA-N 0 3 264.344 3.021 20 30 CGEDHN C[C@@H](NCCN1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571171 533395590 /nfs/dbraw/zinc/39/55/90/533395590.db2.gz OMVWELWHOIWIEW-ZIAGYGMSSA-N 0 3 289.398 3.222 20 30 CGEDHN CC[C@@]1(CO)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000190039969 130053364 /nfs/dbraw/zinc/05/33/64/130053364.db2.gz YXUPQMNBNQFUEL-WMLDXEAASA-N 0 3 272.392 3.104 20 30 CGEDHN Cn1cc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)cc1C#N ZINC000191369390 130227850 /nfs/dbraw/zinc/22/78/50/130227850.db2.gz JRNNYGLAMBBWPO-HNNXBMFYSA-N 0 3 297.377 3.100 20 30 CGEDHN COCCN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000048811724 392017534 /nfs/dbraw/zinc/01/75/34/392017534.db2.gz VYTWZHWIVQYFPY-UHFFFAOYSA-N 0 3 280.371 3.207 20 30 CGEDHN C=CCOc1ccc(CN(C)CC[C@@H](C)O)cc1Cl ZINC000093481113 392237182 /nfs/dbraw/zinc/23/71/82/392237182.db2.gz OUCNWHINBSULIA-GFCCVEGCSA-N 0 3 283.799 3.108 20 30 CGEDHN COCCN(Cc1cc(C#N)cs1)C[C@H]1CC=CCC1 ZINC000361674967 392293145 /nfs/dbraw/zinc/29/31/45/392293145.db2.gz IYCOLMKELGJUID-AWEZNQCLSA-N 0 3 290.432 3.424 20 30 CGEDHN C=CCC[C@@H](NCC1([S@](C)=O)CCC1)c1ccco1 ZINC000286378182 392381895 /nfs/dbraw/zinc/38/18/95/392381895.db2.gz AMGLHFWMIQPWDB-YJYMSZOUSA-N 0 3 281.421 3.178 20 30 CGEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1SC ZINC000114723897 392387325 /nfs/dbraw/zinc/38/73/25/392387325.db2.gz RFTAXUATOOGMBH-UHFFFAOYSA-N 0 3 290.432 3.411 20 30 CGEDHN C=CCC(CC=C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000121281661 392412721 /nfs/dbraw/zinc/41/27/21/392412721.db2.gz NJRDTECCLGJQBB-UHFFFAOYSA-N 0 3 278.440 3.136 20 30 CGEDHN C#C[C@@H](NCc1cnc(-c2ccco2)s1)C(C)C ZINC000289083425 392413283 /nfs/dbraw/zinc/41/32/83/392413283.db2.gz BCGRRBOKGNCZLB-GFCCVEGCSA-N 0 3 260.362 3.151 20 30 CGEDHN CCC(CC)N(CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000289450946 392422314 /nfs/dbraw/zinc/42/23/14/392422314.db2.gz PBLRXOXNLNYTGK-UHFFFAOYSA-N 0 3 291.395 3.217 20 30 CGEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000289621463 392425956 /nfs/dbraw/zinc/42/59/56/392425956.db2.gz WJPRGMOQLWUSLW-KGLIPLIRSA-N 0 3 272.392 3.138 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@]3(C2)CCCOC3)cc1 ZINC000367052406 392461742 /nfs/dbraw/zinc/46/17/42/392461742.db2.gz AWZWHYNCGWOWAI-KRWDZBQOSA-N 0 3 289.806 3.194 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000121147131 392409508 /nfs/dbraw/zinc/40/95/08/392409508.db2.gz HJJFCGLVQDRZNF-CABCVRRESA-N 0 3 266.429 3.064 20 30 CGEDHN CC#CCCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000156003863 392545342 /nfs/dbraw/zinc/54/53/42/392545342.db2.gz NODCTEGTFXDGDE-KRWDZBQOSA-N 0 3 283.371 3.229 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000302846604 392621789 /nfs/dbraw/zinc/62/17/89/392621789.db2.gz JLNSDDONKFJPHV-HOTGVXAUSA-N 0 3 278.440 3.066 20 30 CGEDHN C[C@H](NC(C)(C)CNCc1ccc(C#N)o1)c1ccccc1 ZINC000174389990 392640549 /nfs/dbraw/zinc/64/05/49/392640549.db2.gz KTAUPJBSKLLQQV-AWEZNQCLSA-N 0 3 297.402 3.370 20 30 CGEDHN C=CCC(C)(C)CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647304761 392653726 /nfs/dbraw/zinc/65/37/26/392653726.db2.gz DSYRJXNQQLOKGR-CYBMUJFWSA-N 0 3 261.413 3.472 20 30 CGEDHN COc1cccc([C@@H](C)N2CCC(C)(C#N)CC2)c1 ZINC000334309064 392719360 /nfs/dbraw/zinc/71/93/60/392719360.db2.gz IGMHUGAJCHSMKJ-CYBMUJFWSA-N 0 3 258.365 3.382 20 30 CGEDHN COc1ccc([C@@H]2CCCCCN2C(=O)C(C)C#N)cc1 ZINC000334338879 392720684 /nfs/dbraw/zinc/72/06/84/392720684.db2.gz ZOZNZSZRZICHMR-BBRMVZONSA-N 0 3 286.375 3.299 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000336166259 392838477 /nfs/dbraw/zinc/83/84/77/392838477.db2.gz SGHYZSYDWVQTLF-KDOFPFPSSA-N 0 3 282.387 3.043 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000186318593 392783169 /nfs/dbraw/zinc/78/31/69/392783169.db2.gz WIWQKPRPXARGIL-ZDUSSCGKSA-N 0 3 294.354 3.446 20 30 CGEDHN COc1cc(CN[C@@H](c2cccnc2)C2CC2)ccc1C#N ZINC000519742676 392888801 /nfs/dbraw/zinc/88/88/01/392888801.db2.gz ZEJPJNRAKRXSFG-GOSISDBHSA-N 0 3 293.370 3.203 20 30 CGEDHN Cc1c[nH]cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000338146709 392898689 /nfs/dbraw/zinc/89/86/89/392898689.db2.gz HXTKOCKAFNNQLK-SNVBAGLBSA-N 0 3 293.248 3.227 20 30 CGEDHN C=C(C)CN(CC)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647998956 392862045 /nfs/dbraw/zinc/86/20/45/392862045.db2.gz RZBYQUHXNFZTHE-UHFFFAOYSA-N 0 3 273.380 3.387 20 30 CGEDHN C=CCN(C)CCc1ccc(Br)cc1 ZINC000520746523 392925694 /nfs/dbraw/zinc/92/56/94/392925694.db2.gz BMRDXPXJRJFNGL-UHFFFAOYSA-N 0 3 254.171 3.109 20 30 CGEDHN C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000459416199 392943504 /nfs/dbraw/zinc/94/35/04/392943504.db2.gz UQHGZMJPSSAYGO-INWMFGNUSA-N 0 3 299.374 3.477 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(Cc2ccccc2)c1 ZINC000339085978 392947735 /nfs/dbraw/zinc/94/77/35/392947735.db2.gz SXXAADFRFMKQSM-QILLFSRXSA-N 0 3 294.402 3.274 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000411688033 392984071 /nfs/dbraw/zinc/98/40/71/392984071.db2.gz HPQOXFNUZZUBON-CABCVRRESA-N 0 3 286.423 3.091 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000411641782 392984819 /nfs/dbraw/zinc/98/48/19/392984819.db2.gz MHEGLECWAVFRJR-AWEZNQCLSA-N 0 3 291.395 3.096 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000411686238 392985013 /nfs/dbraw/zinc/98/50/13/392985013.db2.gz XCRQULHVXQFATP-BBRMVZONSA-N 0 3 260.356 3.481 20 30 CGEDHN CCN1C[C@@H](C)N(CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411723052 392986411 /nfs/dbraw/zinc/98/64/11/392986411.db2.gz RXDACKQUZOJPQX-HZPDHXFCSA-N 0 3 277.456 3.265 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1nc(C)ccc1C#N)C(C)C ZINC000341747139 392992555 /nfs/dbraw/zinc/99/25/55/392992555.db2.gz XUXBOROZNRYGDN-QGZVFWFLSA-N 0 3 298.434 3.372 20 30 CGEDHN COC1([C@H](C)NCC#Cc2ccc(Cl)cc2)CCC1 ZINC000412028222 392994518 /nfs/dbraw/zinc/99/45/18/392994518.db2.gz WRVQPALZHUEKJB-ZDUSSCGKSA-N 0 3 277.795 3.239 20 30 CGEDHN COc1cccc(C[C@@H]2CCCN2Cc2ccc(C#N)o2)c1 ZINC000534344440 392998378 /nfs/dbraw/zinc/99/83/78/392998378.db2.gz KXTOFUXVFURVOB-HNNXBMFYSA-N 0 3 296.370 3.367 20 30 CGEDHN CC1(C)CCN(CCOc2ccc(C#N)cc2)CCS1 ZINC000228089496 393018789 /nfs/dbraw/zinc/01/87/89/393018789.db2.gz WPVJBKREEPHQHX-UHFFFAOYSA-N 0 3 290.432 3.155 20 30 CGEDHN CC(C#N)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000346256620 393082272 /nfs/dbraw/zinc/08/22/72/393082272.db2.gz YIMAELLYXGXXKG-SNVBAGLBSA-N 0 3 296.292 3.360 20 30 CGEDHN CCN(CC(=O)N1CCCCCC1)CC(C)(C)CCC#N ZINC000348831213 393132613 /nfs/dbraw/zinc/13/26/13/393132613.db2.gz FPIVTMFJTMWRSD-UHFFFAOYSA-N 0 3 293.455 3.041 20 30 CGEDHN CC[C@@H](NCCOCC1CC1)c1ccc(C#N)cc1 ZINC000278832908 393327196 /nfs/dbraw/zinc/32/71/96/393327196.db2.gz UDAGIIOTLXOTKU-MRXNPFEDSA-N 0 3 258.365 3.026 20 30 CGEDHN C=CC1CCN(Cc2c(C)cc(OC)nc2C)CC1 ZINC000359241274 393540278 /nfs/dbraw/zinc/54/02/78/393540278.db2.gz UYXDCADSXOIFQB-UHFFFAOYSA-N 0 3 260.381 3.105 20 30 CGEDHN CCC1CCC(N(CCO)Cc2cc(C#N)cs2)CC1 ZINC000488570616 393541019 /nfs/dbraw/zinc/54/10/19/393541019.db2.gz DSERCGVIKMGKPN-UHFFFAOYSA-N 0 3 292.448 3.383 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1cccnc1C#N)C(C)C ZINC000358855151 393528610 /nfs/dbraw/zinc/52/86/10/393528610.db2.gz QLTDTKCPOXIBRO-QGZVFWFLSA-N 0 3 284.407 3.064 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000359533379 393550798 /nfs/dbraw/zinc/55/07/98/393550798.db2.gz AFCSEOLWRUYEAR-SOUVJXGZSA-N 0 3 292.423 3.427 20 30 CGEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1(C)CCCC1 ZINC000489891177 393620627 /nfs/dbraw/zinc/62/06/27/393620627.db2.gz VFNUGLUXKKDVSH-UHFFFAOYSA-N 0 3 296.374 3.373 20 30 CGEDHN C=CCOc1ccc(CN2CC=C(COC)CC2)cc1 ZINC000361141453 393682963 /nfs/dbraw/zinc/68/29/63/393682963.db2.gz OBTGZOKRUVGJOC-UHFFFAOYSA-N 0 3 273.376 3.030 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOC(C)(C)C ZINC000442673608 393738343 /nfs/dbraw/zinc/73/83/43/393738343.db2.gz SXOVCKMKSMILOH-CYBMUJFWSA-N 0 3 260.381 3.366 20 30 CGEDHN CCCC[C@@H]1CCC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000492872031 393767140 /nfs/dbraw/zinc/76/71/40/393767140.db2.gz KDGKHNXPVMSEHP-PVAVHDDUSA-N 0 3 299.418 3.033 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccncc1 ZINC000453385140 394226313 /nfs/dbraw/zinc/22/63/13/394226313.db2.gz NZESNWCRAWIYTL-INIZCTEOSA-N 0 3 269.323 3.333 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668078586 542966309 /nfs/dbraw/zinc/96/63/09/542966309.db2.gz PIWKGTNGZMNPDY-SJLPKXTDSA-N 0 3 287.403 3.395 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000668493985 543020832 /nfs/dbraw/zinc/02/08/32/543020832.db2.gz SZFNZNVQCNRPBN-MRXNPFEDSA-N 0 3 285.435 3.470 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000669704044 543120236 /nfs/dbraw/zinc/12/02/36/543120236.db2.gz LLKWTDODYSXGJB-LSDHHAIUSA-N 0 3 251.345 3.049 20 30 CGEDHN COCC#CCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000672565826 543216570 /nfs/dbraw/zinc/21/65/70/543216570.db2.gz PVKNRHZGLMLKAK-ZDUSSCGKSA-N 0 3 299.336 3.218 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000677047444 543427939 /nfs/dbraw/zinc/42/79/39/543427939.db2.gz AXWNLSOEIGHLMK-ZDUSSCGKSA-N 0 3 274.191 3.362 20 30 CGEDHN COCC#CCN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000677820533 543468238 /nfs/dbraw/zinc/46/82/38/543468238.db2.gz QKFZISSTMPLPET-KGLIPLIRSA-N 0 3 279.811 3.414 20 30 CGEDHN C=C(C)[C@H](CO)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000678049835 543479079 /nfs/dbraw/zinc/47/90/79/543479079.db2.gz OZVJCOAMHBEBJL-INIZCTEOSA-N 0 3 277.795 3.366 20 30 CGEDHN CCSc1ccc([C@H](C)NCC#CCOC)cc1 ZINC000678765089 543553813 /nfs/dbraw/zinc/55/38/13/543553813.db2.gz XCHJEGPMNWHBMU-ZDUSSCGKSA-N 0 3 263.406 3.099 20 30 CGEDHN CN(C)c1cccc(CN(C)Cc2ccc(F)c(C#N)c2)c1 ZINC000089922901 165220870 /nfs/dbraw/zinc/22/08/70/165220870.db2.gz ZUOWLIXTWOSPNA-UHFFFAOYSA-N 0 3 297.377 3.395 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cc(C#N)cs1 ZINC000185190465 165746432 /nfs/dbraw/zinc/74/64/32/165746432.db2.gz SAMHMZTWECLIBO-HUUCEWRRSA-N 0 3 278.421 3.303 20 30 CGEDHN N#Cc1cc(CN2C[C@@H]3CCCC[C@H]3C2)ccc1F ZINC000121694949 287202329 /nfs/dbraw/zinc/20/23/29/287202329.db2.gz NHZOJNOZHWMKNH-KBPBESRZSA-N 0 3 258.340 3.319 20 30 CGEDHN N#Cc1cc(CN2CCC3(CCOCC3)CC2)ccc1F ZINC000284649450 196103398 /nfs/dbraw/zinc/10/33/98/196103398.db2.gz FBPZLZZXBFNXNX-UHFFFAOYSA-N 0 3 288.366 3.090 20 30 CGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1F)c1ccccc1 ZINC000072072979 176312415 /nfs/dbraw/zinc/31/24/15/176312415.db2.gz FBLRPMXEYAQXTI-QGZVFWFLSA-N 0 3 283.350 3.412 20 30 CGEDHN C=CCOCCNCc1cc(Cl)c(OC)c(OCC)c1 ZINC000679486255 543640628 /nfs/dbraw/zinc/64/06/28/543640628.db2.gz HNAFMGONXADEPF-UHFFFAOYSA-N 0 3 299.798 3.040 20 30 CGEDHN C=CCOCCNCc1ccc(OCC=C)c(Cl)c1 ZINC000679486266 543640736 /nfs/dbraw/zinc/64/07/36/543640736.db2.gz IIMAQKQXQSEJBL-UHFFFAOYSA-N 0 3 281.783 3.197 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(c2ccc(C)nc2)CC1 ZINC000679952602 543669868 /nfs/dbraw/zinc/66/98/68/543669868.db2.gz BQSDORMRZVDUIO-OAHLLOKOSA-N 0 3 256.393 3.371 20 30 CGEDHN C=CCOCCNCc1cccc(SCC)c1 ZINC000681134666 543770105 /nfs/dbraw/zinc/77/01/05/543770105.db2.gz SDMPHHPUFONJGN-UHFFFAOYSA-N 0 3 251.395 3.091 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000334962340 225376554 /nfs/dbraw/zinc/37/65/54/225376554.db2.gz JHVZVRALCSSYHX-IAQYHMDHSA-N 0 3 272.323 3.037 20 30 CGEDHN C=CCOCCNCc1ccc(C(F)(F)F)s1 ZINC000683204328 543904326 /nfs/dbraw/zinc/90/43/26/543904326.db2.gz IZFYVGXAJFEFGL-UHFFFAOYSA-N 0 3 265.300 3.059 20 30 CGEDHN C=C[C@](C)(CC)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000685326849 544062677 /nfs/dbraw/zinc/06/26/77/544062677.db2.gz JSKMIGSJKHQBJA-XQERAMJGSA-N 0 3 275.396 3.264 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000349804935 226849008 /nfs/dbraw/zinc/84/90/08/226849008.db2.gz UPMWZKANTYLXIQ-DGCLKSJQSA-N 0 3 298.308 3.410 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(CN(C)C)c1 ZINC000664445361 418959576 /nfs/dbraw/zinc/95/95/76/418959576.db2.gz WNAYAMADCYFTGH-CALCHBBNSA-N 0 3 299.418 3.463 20 30 CGEDHN CC[C@@H](NCC#Cc1ccc(F)cc1)[C@@H]1CCCCO1 ZINC000653875793 419102290 /nfs/dbraw/zinc/10/22/90/419102290.db2.gz ZVRRMMBDEJGZJA-SJORKVTESA-N 0 3 275.367 3.115 20 30 CGEDHN C=CCCCCCNCc1nn(C)c2ccccc12 ZINC000655825237 419109766 /nfs/dbraw/zinc/10/97/66/419109766.db2.gz AEUMLKITFKCWRE-UHFFFAOYSA-N 0 3 257.381 3.409 20 30 CGEDHN OCC1(N(CC#Cc2ccccc2Cl)C2CC2)CCC1 ZINC000660772258 419193173 /nfs/dbraw/zinc/19/31/73/419193173.db2.gz HHKVPQYNHRHFRB-UHFFFAOYSA-N 0 3 289.806 3.071 20 30 CGEDHN C=CCN(Cc1ccc(OC(F)F)cc1)[C@@H](C)COC ZINC000661244030 419243985 /nfs/dbraw/zinc/24/39/85/419243985.db2.gz PVJQAZGGAREALH-LBPRGKRZSA-N 0 3 285.334 3.311 20 30 CGEDHN C=CCN(C[C@@H]1CCC2(CCCC2)O1)[C@H](C)COC ZINC000661241436 419244298 /nfs/dbraw/zinc/24/42/98/419244298.db2.gz YFGODUQAFALRBA-CABCVRRESA-N 0 3 267.413 3.001 20 30 CGEDHN C=CCCn1cc(CNCC[C@H](C)c2ccccc2)nn1 ZINC000657339159 419255192 /nfs/dbraw/zinc/25/51/92/419255192.db2.gz NFJYWEVGICTZNZ-HNNXBMFYSA-N 0 3 284.407 3.138 20 30 CGEDHN C=CCCn1cc(CNCC(C)(C)c2ccccc2C)nn1 ZINC000657341780 419256026 /nfs/dbraw/zinc/25/60/26/419256026.db2.gz LIDUTGWSLQTZMR-UHFFFAOYSA-N 0 3 298.434 3.230 20 30 CGEDHN C=CC[C@H](C)NCc1cccc(F)c1OC(F)F ZINC000657363036 419260481 /nfs/dbraw/zinc/26/04/81/419260481.db2.gz DPWYJDSTVNBADP-VIFPVBQESA-N 0 3 259.271 3.481 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](c1ccccc1F)C(C)C ZINC000661484540 419264117 /nfs/dbraw/zinc/26/41/17/419264117.db2.gz LQXDMRXRDGWXBP-HUUCEWRRSA-N 0 3 251.345 3.049 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc2n(n1)CCCC2 ZINC000657530785 419299595 /nfs/dbraw/zinc/29/95/95/419299595.db2.gz TWMWTWUHAMQTBM-YOEHRIQHSA-N 0 3 273.424 3.444 20 30 CGEDHN N#Cc1cccc(CN2CCC(OC3CCC3)CC2)c1 ZINC000418095182 228032616 /nfs/dbraw/zinc/03/26/16/228032616.db2.gz SWNIKCOMUFQOTN-UHFFFAOYSA-N 0 3 270.376 3.092 20 30 CGEDHN C=CCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000662052843 419329719 /nfs/dbraw/zinc/32/97/19/419329719.db2.gz UTBYPJOGCVTECR-NSHDSACASA-N 0 3 260.164 3.193 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1c(CC)nn(C)c1OC ZINC000657908541 419431793 /nfs/dbraw/zinc/43/17/93/419431793.db2.gz IUJQEZWKSNMVCO-CZUORRHYSA-N 0 3 291.439 3.216 20 30 CGEDHN C=CCCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000658116663 419593377 /nfs/dbraw/zinc/59/33/77/419593377.db2.gz MRXZPBJILKXTFT-NSHDSACASA-N 0 3 276.771 3.147 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1c(OC)cccc1OC ZINC000658120472 419600246 /nfs/dbraw/zinc/60/02/46/419600246.db2.gz IQMOPJKRCWBWOB-QWHCGFSZSA-N 0 3 263.381 3.394 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cncc(Br)c1 ZINC000658208189 419660737 /nfs/dbraw/zinc/66/07/37/419660737.db2.gz YPDAEJFHYKRPAQ-NSHDSACASA-N 0 3 299.212 3.087 20 30 CGEDHN CC(C)CCN(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000180022888 260088169 /nfs/dbraw/zinc/08/81/69/260088169.db2.gz PDROJXGBONXKMR-UHFFFAOYSA-N 0 3 282.391 3.216 20 30 CGEDHN COc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000172831515 261152291 /nfs/dbraw/zinc/15/22/91/261152291.db2.gz JIPPCBFLNDBPJA-AWEZNQCLSA-N 0 3 296.370 3.448 20 30 CGEDHN CC(C#N)C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000361091438 261160042 /nfs/dbraw/zinc/16/00/42/261160042.db2.gz OTXBWQJPOLMAAB-NSHDSACASA-N 0 3 284.281 3.127 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(N3CCCCC3)c2)C1 ZINC000185712171 262068152 /nfs/dbraw/zinc/06/81/52/262068152.db2.gz WKKDXWJXTFIQIA-WBVHZDCISA-N 0 3 298.434 3.244 20 30 CGEDHN N#CCCCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192475136 262204278 /nfs/dbraw/zinc/20/42/78/262204278.db2.gz FMUKHZUZQZKECP-UHFFFAOYSA-N 0 3 288.366 3.414 20 30 CGEDHN COCc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000192632584 262206421 /nfs/dbraw/zinc/20/64/21/262206421.db2.gz BSFSXKWUUMHUPA-CZUORRHYSA-N 0 3 258.365 3.005 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2Cn2cccn2)C1 ZINC000192625837 262206758 /nfs/dbraw/zinc/20/67/58/262206758.db2.gz KUXNUMUCJJNKSH-QAPCUYQASA-N 0 3 294.402 3.103 20 30 CGEDHN CCSc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000193316132 262220562 /nfs/dbraw/zinc/22/05/62/262220562.db2.gz OPBVRIXOVUHYMG-TZMCWYRMSA-N 0 3 275.421 3.366 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000111260391 262259130 /nfs/dbraw/zinc/25/91/30/262259130.db2.gz GSJHTBZYNRTTAS-GOEBONIOSA-N 0 3 278.440 3.064 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1CCCOC1 ZINC000336839136 262399697 /nfs/dbraw/zinc/39/96/97/262399697.db2.gz SMTKXTUFTKEJDE-CGTJXYLNSA-N 0 3 284.403 3.185 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337500801 262455390 /nfs/dbraw/zinc/45/53/90/262455390.db2.gz LMHQUACAAFIMRE-NUEKZKHPSA-N 0 3 257.381 3.390 20 30 CGEDHN C[C@H](c1ccncc1)N(C)Cc1ccc(OCC#N)cc1 ZINC000271433807 262996334 /nfs/dbraw/zinc/99/63/34/262996334.db2.gz UFKVMTUYGRRGFC-CQSZACIVSA-N 0 3 281.359 3.177 20 30 CGEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000274247862 263022313 /nfs/dbraw/zinc/02/23/13/263022313.db2.gz YAGBYRRSPVDNID-YCPHGPKFSA-N 0 3 270.376 3.409 20 30 CGEDHN CC(C)(C#N)CCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000277056264 263039602 /nfs/dbraw/zinc/03/96/02/263039602.db2.gz MNXOYAYKPHYARE-CABCVRRESA-N 0 3 294.345 3.324 20 30 CGEDHN N#CCC[C@H](NC[C@H]1CCSC1)c1ccccc1 ZINC000278569999 263049187 /nfs/dbraw/zinc/04/91/87/263049187.db2.gz XGWIHBWADFPDRY-HIFRSBDPSA-N 0 3 260.406 3.374 20 30 CGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000279514193 263055961 /nfs/dbraw/zinc/05/59/61/263055961.db2.gz RYCYCFAEPODFFK-MRXNPFEDSA-N 0 3 295.386 3.032 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@H](O)c2cc(F)cc(Cl)c2)C1 ZINC000279619322 263056387 /nfs/dbraw/zinc/05/63/87/263056387.db2.gz YCQDQJMTGQJUMU-ONERCXAPSA-N 0 3 296.773 3.184 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](O)c2cc(F)cc(Cl)c2)C1 ZINC000279619323 263056401 /nfs/dbraw/zinc/05/64/01/263056401.db2.gz YCQDQJMTGQJUMU-VCTAVGKDSA-N 0 3 296.773 3.184 20 30 CGEDHN C[C@H](NCC1CCC(C#N)CC1)c1ccc(F)cn1 ZINC000282284780 263075565 /nfs/dbraw/zinc/07/55/65/263075565.db2.gz LFLFHXCAEQNRNK-HIFPTAJRSA-N 0 3 261.344 3.201 20 30 CGEDHN CCCC[C@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291102256 263120134 /nfs/dbraw/zinc/12/01/34/263120134.db2.gz ZUMSYPMDHLJFPR-YOEHRIQHSA-N 0 3 297.402 3.278 20 30 CGEDHN N#CCCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000292118588 263128799 /nfs/dbraw/zinc/12/87/99/263128799.db2.gz HWFNDPRFZQYTBQ-MSOLQXFVSA-N 0 3 280.371 3.355 20 30 CGEDHN N#CCCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292360482 263131480 /nfs/dbraw/zinc/13/14/80/263131480.db2.gz YSLINRJPKYHDCL-CZUORRHYSA-N 0 3 276.355 3.187 20 30 CGEDHN N#CCCOCCN1CCC(Cc2cccc(F)c2)CC1 ZINC000293357944 263139338 /nfs/dbraw/zinc/13/93/38/263139338.db2.gz DYVAUKJAUQHTRF-UHFFFAOYSA-N 0 3 290.382 3.010 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000293817654 263150165 /nfs/dbraw/zinc/15/01/65/263150165.db2.gz OUHAEUKWJBGAHG-DZGCQCFKSA-N 0 3 254.377 3.472 20 30 CGEDHN CC[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631419 263164808 /nfs/dbraw/zinc/16/48/08/263164808.db2.gz PIJCTWJTMAOHIC-QRVBRYPASA-N 0 3 297.446 3.275 20 30 CGEDHN C[C@H](N(C)CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)O ZINC000295139755 263173010 /nfs/dbraw/zinc/17/30/10/263173010.db2.gz KVBYLBKHRMJNFM-LBPRGKRZSA-N 0 3 299.336 3.148 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000298031790 263214247 /nfs/dbraw/zinc/21/42/47/263214247.db2.gz CFZMDYCARHIFIJ-GYSYKLTISA-N 0 3 264.394 3.032 20 30 CGEDHN COc1ccc(OC)c([C@@H](C)N[C@@H](C)CCC#N)c1 ZINC000299732898 263254007 /nfs/dbraw/zinc/25/40/07/263254007.db2.gz YBHMKRYUYDLUQG-NWDGAFQWSA-N 0 3 262.353 3.047 20 30 CGEDHN C=CCC[C@@H](NCc1nncn1-c1ccccc1)C1CC1 ZINC000120120275 263281023 /nfs/dbraw/zinc/28/10/23/263281023.db2.gz DBWIUVXNPBVEKQ-MRXNPFEDSA-N 0 3 282.391 3.102 20 30 CGEDHN CC(C#N)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000340864083 263309780 /nfs/dbraw/zinc/30/97/80/263309780.db2.gz PPPCJFPQVSIQMY-NSHDSACASA-N 0 3 276.767 3.081 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000341887724 263363736 /nfs/dbraw/zinc/36/37/36/263363736.db2.gz ZPCCDNPELDWORI-DOMZBBRYSA-N 0 3 295.810 3.328 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](O)C1CCCCC1 ZINC000475328503 264305045 /nfs/dbraw/zinc/30/50/45/264305045.db2.gz CGNWQRLVNKWYQH-KRWDZBQOSA-N 0 3 277.408 3.251 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000334917314 265080312 /nfs/dbraw/zinc/08/03/12/265080312.db2.gz WLOZSMAINJTNMT-ZJUUUORDSA-N 0 3 295.180 3.128 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)CCC(C)(C)C#N)C12CCC2 ZINC000345706629 265097487 /nfs/dbraw/zinc/09/74/87/265097487.db2.gz GAODRWLQMYNEFW-KBPBESRZSA-N 0 3 264.413 3.206 20 30 CGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(C#N)cc1 ZINC000338344144 266968709 /nfs/dbraw/zinc/96/87/09/266968709.db2.gz FVVKJDQKVTWTBX-CQSZACIVSA-N 0 3 275.355 3.475 20 30 CGEDHN CC[C@H](C)[C@@H](C)N(Cc1ccc(C#N)cn1)C1CC1 ZINC000519759844 267204712 /nfs/dbraw/zinc/20/47/12/267204712.db2.gz PCDYKTNNFJNEFP-QWHCGFSZSA-N 0 3 257.381 3.352 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000370494600 267323576 /nfs/dbraw/zinc/32/35/76/267323576.db2.gz HAIJCDUOAKCNQF-CJNGLKHVSA-N 0 3 281.346 3.429 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000418136038 267367668 /nfs/dbraw/zinc/36/76/68/267367668.db2.gz BUYFDXVBSGYECN-WDEREUQCSA-N 0 3 260.303 3.391 20 30 CGEDHN CC(C)(C)[C@@H]1C[C@@H](NCC2(C#N)CCC2)CS1 ZINC000418138164 267371844 /nfs/dbraw/zinc/37/18/44/267371844.db2.gz GBZKKBWSGHRMLZ-NEPJUHHUSA-N 0 3 252.427 3.190 20 30 CGEDHN COC(C)(C)CN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000532340095 270215507 /nfs/dbraw/zinc/21/55/07/270215507.db2.gz STABJOOKAFXGJE-UHFFFAOYSA-N 0 3 298.333 3.016 20 30 CGEDHN CC1(C)SC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353593327 275884760 /nfs/dbraw/zinc/88/47/60/275884760.db2.gz CWFCKUIHKRGDMV-ZIAGYGMSSA-N 0 3 258.390 3.029 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000120919047 276361707 /nfs/dbraw/zinc/36/17/07/276361707.db2.gz YMKUQGRPGBHLOE-SJORKVTESA-N 0 3 284.403 3.338 20 30 CGEDHN CC[C@@H](C)[C@H](CNCc1ccc(C#N)c(C)c1)OC ZINC000449403871 276420576 /nfs/dbraw/zinc/42/05/76/276420576.db2.gz RTQUXPNSIWIADU-WBMJQRKESA-N 0 3 260.381 3.017 20 30 CGEDHN COC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000356111322 277597649 /nfs/dbraw/zinc/59/76/49/277597649.db2.gz UAWFXNQVVHAMQB-AWEZNQCLSA-N 0 3 298.308 3.092 20 30 CGEDHN C=C(C)CCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000351992519 277765448 /nfs/dbraw/zinc/76/54/48/277765448.db2.gz DERGHAHJSYVUIB-CQSZACIVSA-N 0 3 264.438 3.393 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccnn1C ZINC000334906963 278383279 /nfs/dbraw/zinc/38/32/79/278383279.db2.gz QKEZWXDQNYKZIN-WBMJQRKESA-N 0 3 280.375 3.020 20 30 CGEDHN C[C@H](CC(F)(F)F)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353630228 279249301 /nfs/dbraw/zinc/24/93/01/279249301.db2.gz IRYRVICTIFUOSH-NOZJJQNGSA-N 0 3 268.282 3.476 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@H](C#N)C2)CC2(CCCC2)O1 ZINC000336440906 281265850 /nfs/dbraw/zinc/26/58/50/281265850.db2.gz BZDLMYFEVGXSLA-KBPBESRZSA-N 0 3 262.397 3.102 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@@H](C#N)C2)CC2(CCCC2)O1 ZINC000336440907 281265856 /nfs/dbraw/zinc/26/58/56/281265856.db2.gz BZDLMYFEVGXSLA-KGLIPLIRSA-N 0 3 262.397 3.102 20 30 CGEDHN CCC(CC)(CC)NCc1cccc(C(=O)OC)c1C#N ZINC000535962922 288470639 /nfs/dbraw/zinc/47/06/39/288470639.db2.gz HEIADZCUCAIIQN-UHFFFAOYSA-N 0 3 288.391 3.403 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)cc1)C(F)(F)F ZINC000548973519 289030200 /nfs/dbraw/zinc/03/02/00/289030200.db2.gz SWQJVGVCHQUVLH-UHFFFAOYSA-N 0 3 256.271 3.236 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)cn1 ZINC000554358512 289274086 /nfs/dbraw/zinc/27/40/86/289274086.db2.gz HREFSQVOSDYXTP-KBPBESRZSA-N 0 3 265.360 3.235 20 30 CGEDHN N#Cc1cccc(C2(N[C@@H]3COc4ccccc4C3)CC2)c1 ZINC000556150846 289373283 /nfs/dbraw/zinc/37/32/83/289373283.db2.gz PHSYWCGXXTVQPM-KRWDZBQOSA-N 0 3 290.366 3.141 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC([C@@H]2CCOC2)CC1 ZINC000371755257 290219341 /nfs/dbraw/zinc/21/93/41/290219341.db2.gz XLWBSRUMVHAYAK-RDTXWAMCSA-N 0 3 284.403 3.368 20 30 CGEDHN COc1ccccc1C[C@H](NC[C@@H](C#N)CCC#N)C(C)C ZINC000185871156 327848902 /nfs/dbraw/zinc/84/89/02/327848902.db2.gz FNETZASTWKBOMG-WBVHZDCISA-N 0 3 299.418 3.295 20 30 CGEDHN CC[C@H](CC#N)NC[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000185900592 327850422 /nfs/dbraw/zinc/85/04/22/327850422.db2.gz BRCIKDYXZISJMJ-GXTWGEPZSA-N 0 3 278.371 3.295 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](CC)c1ccccc1OC ZINC000320344517 328005631 /nfs/dbraw/zinc/00/56/31/328005631.db2.gz DFMNWNYDAPZQMA-UKRRQHHQSA-N 0 3 263.381 3.063 20 30 CGEDHN C=CCOc1ccc(CNCCOc2ccccc2)cc1 ZINC000048298250 328047974 /nfs/dbraw/zinc/04/79/74/328047974.db2.gz VKRNDDOSXCAGHZ-UHFFFAOYSA-N 0 3 283.371 3.420 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@H](Oc2ccccc2)C1 ZINC000411267101 328081501 /nfs/dbraw/zinc/08/15/01/328081501.db2.gz KQWJHRFWTBXJAV-HOCLYGCPSA-N 0 3 258.365 3.222 20 30 CGEDHN N#CCCC[C@@H](NCc1ccnc(N)c1)c1ccccc1 ZINC000411757861 328098786 /nfs/dbraw/zinc/09/87/86/328098786.db2.gz MXSFIVMZNBNRCL-MRXNPFEDSA-N 0 3 280.375 3.019 20 30 CGEDHN COc1cc(C)c([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000274678794 328212969 /nfs/dbraw/zinc/21/29/69/328212969.db2.gz ZSMGSSVWKRKTAU-MJBXVCDLSA-N 0 3 288.391 3.355 20 30 CGEDHN Cc1cccc2oc(CCN[C@H]3CCC[C@@H](C#N)C3)nc21 ZINC000278367448 328225066 /nfs/dbraw/zinc/22/50/66/328225066.db2.gz BWZBUBNIEJQZHF-KGLIPLIRSA-N 0 3 283.375 3.351 20 30 CGEDHN C=CCC[C@@H](NC[C@H]1CCCN(C(C)=O)C1)c1ccco1 ZINC000287276709 328250547 /nfs/dbraw/zinc/25/05/47/328250547.db2.gz CSAAHOCRLSZDNS-HZPDHXFCSA-N 0 3 290.407 3.135 20 30 CGEDHN C[C@H]1C[C@@H](CO)CCN1Cc1ccccc1C(C)(C)C#N ZINC000289031674 328253959 /nfs/dbraw/zinc/25/39/59/328253959.db2.gz OVZYTICHSNEJKJ-GJZGRUSLSA-N 0 3 286.419 3.081 20 30 CGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000571332166 322295945 /nfs/dbraw/zinc/29/59/45/322295945.db2.gz VUUNFYHIBYQJQZ-AWEZNQCLSA-N 0 3 287.363 3.477 20 30 CGEDHN CC(C)(CCC#N)CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000535077710 328384646 /nfs/dbraw/zinc/38/46/46/328384646.db2.gz YTFJMHQQOZMVMC-LBPRGKRZSA-N 0 3 292.345 3.360 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000535153180 328390844 /nfs/dbraw/zinc/39/08/44/328390844.db2.gz LWVZOTKUSDUNCH-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN[C@@H](C)c1ccc(Br)cc1OC ZINC000190456024 328490258 /nfs/dbraw/zinc/49/02/58/328490258.db2.gz SMUQUHYOTCIGLA-VIFPVBQESA-N 0 3 270.170 3.294 20 30 CGEDHN C=CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000292804094 328540490 /nfs/dbraw/zinc/54/04/90/328540490.db2.gz YSPVTSIMCKOYMJ-UHFFFAOYSA-N 0 3 293.342 3.105 20 30 CGEDHN C=CCOCCN(C)Cc1ccc(Br)cc1 ZINC000338896023 327007318 /nfs/dbraw/zinc/00/73/18/327007318.db2.gz TUJSGSWFUBNTJA-UHFFFAOYSA-N 0 3 284.197 3.084 20 30 CGEDHN Cc1[nH]c2ccccc2c1CCNC[C@H](C#N)CCC#N ZINC000558506710 327099642 /nfs/dbraw/zinc/09/96/42/327099642.db2.gz JLUOVRJTBNGVPD-AWEZNQCLSA-N 0 3 280.375 3.052 20 30 CGEDHN Cc1ccc(CN(C)CCCSCC#N)s1 ZINC000074990191 327122856 /nfs/dbraw/zinc/12/28/56/327122856.db2.gz OYSCWIXWEZNKBD-UHFFFAOYSA-N 0 3 254.424 3.135 20 30 CGEDHN C=CCOCCN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000559148549 327143494 /nfs/dbraw/zinc/14/34/94/327143494.db2.gz IPYDVVHNHSMFRJ-INIZCTEOSA-N 0 3 263.356 3.377 20 30 CGEDHN C=C(C)COCCNCc1ccc(Br)cc1 ZINC000131392671 327161787 /nfs/dbraw/zinc/16/17/87/327161787.db2.gz JHKXXELOYLOLOQ-UHFFFAOYSA-N 0 3 284.197 3.131 20 30 CGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NCC1(C#N)CC1)CC3 ZINC000569426144 327176027 /nfs/dbraw/zinc/17/60/27/327176027.db2.gz YAXVMTQNLMSYFB-CYBMUJFWSA-N 0 3 279.387 3.227 20 30 CGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000107070927 327247888 /nfs/dbraw/zinc/24/78/88/327247888.db2.gz JXKGFJCWNNXGRW-CABCVRRESA-N 0 3 299.418 3.068 20 30 CGEDHN CC[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000125871059 327396239 /nfs/dbraw/zinc/39/62/39/327396239.db2.gz SWBKGBPFKBMPIA-HOTGVXAUSA-N 0 3 299.418 3.054 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000181043288 329225188 /nfs/dbraw/zinc/22/51/88/329225188.db2.gz WGBPSFANIDILQB-UHFFFAOYSA-N 0 3 263.381 3.490 20 30 CGEDHN C=CCOc1ccc(CN(C)CCOCC)cc1Cl ZINC000181483473 329233651 /nfs/dbraw/zinc/23/36/51/329233651.db2.gz ARQQZGDEACDBEG-UHFFFAOYSA-N 0 3 283.799 3.373 20 30 CGEDHN C=C(C)COCCNCc1ccc(Br)cc1C ZINC000395133438 329275248 /nfs/dbraw/zinc/27/52/48/329275248.db2.gz STPJVCFCCGYCSY-UHFFFAOYSA-N 0 3 298.224 3.440 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000185811967 329329580 /nfs/dbraw/zinc/32/95/80/329329580.db2.gz YCSLUQSDIMJJDC-OBJOEFQTSA-N 0 3 272.348 3.148 20 30 CGEDHN CC(C)(CCC#N)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186436600 329342500 /nfs/dbraw/zinc/34/25/00/329342500.db2.gz SXORJKWWDDQBEC-SFHVURJKSA-N 0 3 284.403 3.448 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C3CCCCC3)CC2)CCC1 ZINC000189506958 329382892 /nfs/dbraw/zinc/38/28/92/329382892.db2.gz VVYBAKRBUDAERU-UHFFFAOYSA-N 0 3 290.451 3.210 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000190418707 329396634 /nfs/dbraw/zinc/39/66/34/329396634.db2.gz DVHYSKVAORKILM-RHSMWYFYSA-N 0 3 275.392 3.251 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCOc3c(F)cccc32)C1 ZINC000193333147 329440252 /nfs/dbraw/zinc/44/02/52/329440252.db2.gz VURWFVQDLDYNPI-ZOWXZIJZSA-N 0 3 274.339 3.321 20 30 CGEDHN COc1ccccc1OCCN1CCC(CCC#N)CC1 ZINC000399376644 329451950 /nfs/dbraw/zinc/45/19/50/329451950.db2.gz XNBNNTVXBOUKEQ-UHFFFAOYSA-N 0 3 288.391 3.090 20 30 CGEDHN C=C(C)COc1cc(CNC(C)(C)COC)ccc1OC ZINC000066995978 329850461 /nfs/dbraw/zinc/85/04/61/329850461.db2.gz VFBKTEILTFJXPS-UHFFFAOYSA-N 0 3 293.407 3.165 20 30 CGEDHN C#CCCN1CCN(CCc2ccc3ccccc3c2)CC1 ZINC000272060119 330084718 /nfs/dbraw/zinc/08/47/18/330084718.db2.gz WIRVVNNSWNMFJT-UHFFFAOYSA-N 0 3 292.426 3.023 20 30 CGEDHN C=CCN1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273461057 330092996 /nfs/dbraw/zinc/09/29/96/330092996.db2.gz CTENXDNFMFJWPI-OAHLLOKOSA-N 0 3 288.435 3.310 20 30 CGEDHN C=CCCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000280002539 330125177 /nfs/dbraw/zinc/12/51/77/330125177.db2.gz VJCAUVBHJUZKGL-UHFFFAOYSA-N 0 3 255.745 3.110 20 30 CGEDHN C=C(C)COCCNCc1cnc(C2CCCC2)s1 ZINC000136354708 330226255 /nfs/dbraw/zinc/22/62/55/330226255.db2.gz CHYXYLPFMQRDTE-UHFFFAOYSA-N 0 3 280.437 3.483 20 30 CGEDHN CSc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424114105 330242986 /nfs/dbraw/zinc/24/29/86/330242986.db2.gz PQVARKPZRGSNSY-NSHDSACASA-N 0 3 297.811 3.022 20 30 CGEDHN C[C@H]1CC(F)(F)CCN1Cc1ccc(CC#N)cc1 ZINC000528765370 330257435 /nfs/dbraw/zinc/25/74/35/330257435.db2.gz BHYWHWQVJFQUFW-LBPRGKRZSA-N 0 3 264.319 3.372 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)cc(C)cc1Cl ZINC000424171671 330311643 /nfs/dbraw/zinc/31/16/43/330311643.db2.gz MMWOBCGCWYCHGK-NHYWBVRUSA-N 0 3 283.774 3.468 20 30 CGEDHN C=CCCCN(C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000532978494 330323721 /nfs/dbraw/zinc/32/37/21/330323721.db2.gz WTNIDGDLGYYNHF-HNNXBMFYSA-N 0 3 292.810 3.343 20 30 CGEDHN CCc1cc(OC)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424201807 330327000 /nfs/dbraw/zinc/32/70/00/330327000.db2.gz OXPKMPRMWRIBLU-SWLSCSKDSA-N 0 3 258.365 3.039 20 30 CGEDHN CC(C)(C)c1ncc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424209782 330328144 /nfs/dbraw/zinc/32/81/44/330328144.db2.gz ZQHWBQKUFGLHKE-WDEREUQCSA-N 0 3 263.410 3.222 20 30 CGEDHN Cc1c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1C(C)(C)C ZINC000424328513 330341849 /nfs/dbraw/zinc/34/18/49/330341849.db2.gz OEVIVRKVFZPXFN-FPMFFAJLSA-N 0 3 274.412 3.289 20 30 CGEDHN C=C(C)COCCN[C@H]1CC(C)(C)Cc2occc21 ZINC000090451279 330392592 /nfs/dbraw/zinc/39/25/92/330392592.db2.gz VBICKFJTUHOLCN-AWEZNQCLSA-N 0 3 263.381 3.475 20 30 CGEDHN COC[C@@H](N[C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000090664709 330394696 /nfs/dbraw/zinc/39/46/96/330394696.db2.gz FASGDVFRHPEBTB-JKSUJKDBSA-N 0 3 258.365 3.046 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCCO2 ZINC000430723381 330571394 /nfs/dbraw/zinc/57/13/94/330571394.db2.gz JKYVUOFMWUAWCV-CQSZACIVSA-N 0 3 286.375 3.192 20 30 CGEDHN Clc1cccc(C#CCN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000438531497 330726811 /nfs/dbraw/zinc/72/68/11/330726811.db2.gz NXJDEBCRVYKNLP-GJZGRUSLSA-N 0 3 259.780 3.423 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000448608562 330728771 /nfs/dbraw/zinc/72/87/71/330728771.db2.gz WPKLRENIXGDWOO-ZDUSSCGKSA-N 0 3 292.448 3.213 20 30 CGEDHN CSCc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442878478 330789972 /nfs/dbraw/zinc/78/99/72/330789972.db2.gz UEDKPQYDTJFBLM-DOMZBBRYSA-N 0 3 260.406 3.331 20 30 CGEDHN CC(C)N(C)c1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442879866 330790178 /nfs/dbraw/zinc/79/01/78/330790178.db2.gz WPSVNDXYFGOWBG-GOEBONIOSA-N 0 3 271.408 3.313 20 30 CGEDHN C=CCSCCNCc1scnc1C1CC1 ZINC000336658133 330867838 /nfs/dbraw/zinc/86/78/38/330867838.db2.gz INLHAYDLSZDWCD-UHFFFAOYSA-N 0 3 254.424 3.029 20 30 CGEDHN CCOc1ncccc1CNC1CCC(C)(C#N)CC1 ZINC000449219016 330907107 /nfs/dbraw/zinc/90/71/07/330907107.db2.gz LVYKNOFMIRVZRE-UHFFFAOYSA-N 0 3 273.380 3.042 20 30 CGEDHN C=C(CC)CNCc1cnc([C@H]2CCCO2)s1 ZINC000449737822 330947348 /nfs/dbraw/zinc/94/73/48/330947348.db2.gz ZUNGTLBZSQNPOG-GFCCVEGCSA-N 0 3 252.383 3.050 20 30 CGEDHN CC(C)Oc1ccc2nccc(NCCCC#N)c2c1 ZINC000450435297 330979433 /nfs/dbraw/zinc/97/94/33/330979433.db2.gz HMZIPVGLBFSHQV-UHFFFAOYSA-N 0 3 269.348 3.160 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCC2)C12CCCCC2 ZINC000450846341 331002419 /nfs/dbraw/zinc/00/24/19/331002419.db2.gz MCGATHVFEJUFBJ-CABCVRRESA-N 0 3 276.424 3.398 20 30 CGEDHN N#CCCCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300057 331023741 /nfs/dbraw/zinc/02/37/41/331023741.db2.gz AKXNLSUGOWQEBP-CYBMUJFWSA-N 0 3 286.297 3.022 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000453369670 331123909 /nfs/dbraw/zinc/12/39/09/331123909.db2.gz RANKOBALZLJKHR-JTQLQIEISA-N 0 3 254.761 3.360 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000453360026 331122372 /nfs/dbraw/zinc/12/23/72/331122372.db2.gz PTUVLRCMWRSYEH-FZQKWOKYSA-N 0 3 285.309 3.488 20 30 CGEDHN C=C(CC)CN[C@H](Cc1ccccn1)c1cccnc1 ZINC000453369667 331123965 /nfs/dbraw/zinc/12/39/65/331123965.db2.gz RAHQURFPYKDYOM-QGZVFWFLSA-N 0 3 267.376 3.316 20 30 CGEDHN C=C(C)CN(CC)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000458903467 331262638 /nfs/dbraw/zinc/26/26/38/331262638.db2.gz AQOLRSVHLIBXJH-INIZCTEOSA-N 0 3 295.471 3.105 20 30 CGEDHN C=C(C)CN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459535231 331286516 /nfs/dbraw/zinc/28/65/16/331286516.db2.gz RQQRUGYRPYVSNN-INIZCTEOSA-N 0 3 259.393 3.446 20 30 CGEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000459646920 331292070 /nfs/dbraw/zinc/29/20/70/331292070.db2.gz DGEWQWHHGROBIN-MGPQQGTHSA-N 0 3 258.365 3.347 20 30 CGEDHN CCc1cc(OC)ccc1CNCC(C)(C)CC#N ZINC000459733618 331296726 /nfs/dbraw/zinc/29/67/26/331296726.db2.gz QOTUQNNJEWERBP-UHFFFAOYSA-N 0 3 260.381 3.287 20 30 CGEDHN CC(C)(CC#N)CNCc1c[nH]nc1-c1ccccc1F ZINC000459737210 331297015 /nfs/dbraw/zinc/29/70/15/331297015.db2.gz VZTAVGFCOLGWGW-UHFFFAOYSA-N 0 3 286.354 3.245 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCC#Cc1ccccc1 ZINC000483683582 331881930 /nfs/dbraw/zinc/88/19/30/331881930.db2.gz MHNPOFDFNLALMT-QZTJIDSGSA-N 0 3 271.404 3.221 20 30 CGEDHN C[C@@H]1C[C@H]1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000488568635 332017965 /nfs/dbraw/zinc/01/79/65/332017965.db2.gz BIJPJLAUWYVKOE-YPMHNXCESA-N 0 3 267.294 3.303 20 30 CGEDHN C=CCOc1cccc(CN2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000488586983 332019192 /nfs/dbraw/zinc/01/91/92/332019192.db2.gz XGBGOXAWNWRWJM-GOSISDBHSA-N 0 3 288.435 3.023 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(-c2ccncc2)c1 ZINC000491427787 332209810 /nfs/dbraw/zinc/20/98/10/332209810.db2.gz MCJLXVQQYJHQSX-AWEZNQCLSA-N 0 3 250.345 3.202 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\CN(C)C ZINC000491648288 332264203 /nfs/dbraw/zinc/26/42/03/332264203.db2.gz YZXORZIQFKLFSI-WAYWQWQTSA-N 0 3 298.839 3.034 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492416921 332396488 /nfs/dbraw/zinc/39/64/88/332396488.db2.gz LVLRGWFDTXFIFO-UHFFFAOYSA-N 0 3 278.352 3.392 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCCN(C)Cc1ccccc1 ZINC000189926471 333200561 /nfs/dbraw/zinc/20/05/61/333200561.db2.gz MOPHAUQJXFAIGT-SFHVURJKSA-N 0 3 288.435 3.227 20 30 CGEDHN C=CCOc1cccc(CN2CCSC[C@@H](C)C2)c1 ZINC000190850486 333211526 /nfs/dbraw/zinc/21/15/26/333211526.db2.gz UUZVSZVYVFAGDF-AWEZNQCLSA-N 0 3 277.433 3.436 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000191131289 333215820 /nfs/dbraw/zinc/21/58/20/333215820.db2.gz ISPZTQVIVSJKHV-WMZOPIPTSA-N 0 3 288.435 3.316 20 30 CGEDHN C[C@@H]1COCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000192128279 333230467 /nfs/dbraw/zinc/23/04/67/333230467.db2.gz IXSOPIOHEDSCDV-IUODEOHRSA-N 0 3 297.320 3.072 20 30 CGEDHN C=CCCCCCN(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000193425984 333249814 /nfs/dbraw/zinc/24/98/14/333249814.db2.gz OYWBAZKZWYTUGQ-OAHLLOKOSA-N 0 3 287.469 3.022 20 30 CGEDHN C=CCCCCCN1CCN(CC(F)F)[C@H](CC)C1 ZINC000193459430 333250353 /nfs/dbraw/zinc/25/03/53/333250353.db2.gz STCNOCRMIVQPKG-CQSZACIVSA-N 0 3 274.399 3.394 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000528755706 333455800 /nfs/dbraw/zinc/45/58/00/333455800.db2.gz HSTSWDIUFOTBEH-IATRGZMQSA-N 0 3 277.795 3.093 20 30 CGEDHN CCC[C@@H](C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000538307346 333584403 /nfs/dbraw/zinc/58/44/03/333584403.db2.gz OXHLGDBKDYBTHZ-AEFFLSMTSA-N 0 3 285.435 3.305 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccccc1C)C1CC1 ZINC000538392702 333588073 /nfs/dbraw/zinc/58/80/73/333588073.db2.gz JNOZCTUDDVDOOY-IBGZPJMESA-N 0 3 298.430 3.236 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000540488544 333732003 /nfs/dbraw/zinc/73/20/03/333732003.db2.gz BXQAGDOUYUVQBK-CABCVRRESA-N 0 3 283.460 3.007 20 30 CGEDHN CC(C)OC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000544143463 333918547 /nfs/dbraw/zinc/91/85/47/333918547.db2.gz FTQYZUZRUYCDER-UHFFFAOYSA-N 0 3 272.392 3.142 20 30 CGEDHN Cc1cccnc1[C@@H]1CCC[C@@H](NC[C@@H](C)C#N)C1 ZINC000545984816 334010420 /nfs/dbraw/zinc/01/04/20/334010420.db2.gz XCFNMDLNBREFON-NWANDNLSSA-N 0 3 257.381 3.166 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)[C@@H](CO)C(C)(C)C ZINC000134445666 334090864 /nfs/dbraw/zinc/09/08/64/334090864.db2.gz WPTUUNXOALJGAK-HNNXBMFYSA-N 0 3 279.811 3.030 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134820424 334105153 /nfs/dbraw/zinc/10/51/53/334105153.db2.gz IRJLONZSSHDOFA-HNNXBMFYSA-N 0 3 261.340 3.439 20 30 CGEDHN C=CCOc1ccccc1CNC[C@]1(O)CCCC1(C)C ZINC000550252059 334217515 /nfs/dbraw/zinc/21/75/15/334217515.db2.gz VPURJKFUXWUXEQ-GOSISDBHSA-N 0 3 289.419 3.282 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1ccc(F)cn1)C(C)C ZINC000550738236 334228020 /nfs/dbraw/zinc/22/80/20/334228020.db2.gz URQUOGGIOSXGHC-OAHLLOKOSA-N 0 3 277.387 3.331 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000248877845 334320318 /nfs/dbraw/zinc/32/03/18/334320318.db2.gz JWWHNDJOQMGUIT-OAGGEKHMSA-N 0 3 287.407 3.088 20 30 CGEDHN C[C@]1(Cc2cccc(F)c2)CCCN1CCOCCC#N ZINC000577219156 335324983 /nfs/dbraw/zinc/32/49/83/335324983.db2.gz VAYNPEJXQLGEKY-QGZVFWFLSA-N 0 3 290.382 3.153 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCC(C)(C)C#N ZINC000345710698 335331651 /nfs/dbraw/zinc/33/16/51/335331651.db2.gz KXLQZMIOMKCAKW-INIZCTEOSA-N 0 3 285.435 3.133 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000349417167 335465792 /nfs/dbraw/zinc/46/57/92/335465792.db2.gz PPBRHFRCWQUMEV-UXIGCNINSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCNC(=O)CN[C@H](C)c1cccc(-c2ccccc2)c1 ZINC000180037188 335543721 /nfs/dbraw/zinc/54/37/21/335543721.db2.gz ZFWFSHLLVGUYHR-OAHLLOKOSA-N 0 3 294.398 3.306 20 30 CGEDHN C=CCC[C@H](NCC(=O)NCCCC)c1ccccc1 ZINC000180039154 335543940 /nfs/dbraw/zinc/54/39/40/335543940.db2.gz DECDKGBZWSCUPV-INIZCTEOSA-N 0 3 274.408 3.200 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](CCC)OC ZINC000381177170 336053547 /nfs/dbraw/zinc/05/35/47/336053547.db2.gz YVBJZDJXEDXBKN-HNNXBMFYSA-N 0 3 263.381 3.156 20 30 CGEDHN Cc1cccc2[nH]cc(CCNC[C@@H](C#N)CCC#N)c21 ZINC000581626131 336114492 /nfs/dbraw/zinc/11/44/92/336114492.db2.gz WLUYRZNNHHHDNQ-CQSZACIVSA-N 0 3 280.375 3.052 20 30 CGEDHN CO[C@](C)(CNCc1cccc(C#N)c1)c1ccccc1 ZINC000384282754 336123340 /nfs/dbraw/zinc/12/33/40/336123340.db2.gz CAFGPJXTWSIUOY-GOSISDBHSA-N 0 3 280.371 3.210 20 30 CGEDHN CC[C@@H](O)CCCN[C@H](CCC#N)c1ccc(OC)cc1 ZINC000581924056 336168984 /nfs/dbraw/zinc/16/89/84/336168984.db2.gz ROHYUOHLVCWTJO-NVXWUHKLSA-N 0 3 290.407 3.181 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000336549222 500876601 /nfs/dbraw/zinc/87/66/01/500876601.db2.gz XPDNFIHTUDOQIM-FZMZJTMJSA-N 0 3 260.312 3.039 20 30 CGEDHN COc1cc(CN[C@H]2C[C@@H]2Cc2ccccc2)ccc1C#N ZINC000440824071 533909333 /nfs/dbraw/zinc/90/93/33/533909333.db2.gz GNBUMBUCFCHWDA-ROUUACIJSA-N 0 3 292.382 3.288 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(Cl)cc1Cl ZINC000184271545 519104041 /nfs/dbraw/zinc/10/40/41/519104041.db2.gz APJSFGRGEQQQHC-NSHDSACASA-N 0 3 260.164 3.020 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](CC)c1cccc(Cl)c1F ZINC000185988795 519107695 /nfs/dbraw/zinc/10/76/95/519107695.db2.gz SMKBPBJLGOHIRS-GWCFXTLKSA-N 0 3 271.763 3.457 20 30 CGEDHN N#CCCCNCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000344341371 534612387 /nfs/dbraw/zinc/61/23/87/534612387.db2.gz CCBCIIZLEIAKCY-UHFFFAOYSA-N 0 3 274.755 3.123 20 30 CGEDHN N#CCCCNCc1ccc(OCC(F)(F)F)cc1 ZINC000344354006 534613527 /nfs/dbraw/zinc/61/35/27/534613527.db2.gz JUHOJPFGQGYMQE-UHFFFAOYSA-N 0 3 272.270 3.021 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](CSC)C2)cc1C#N ZINC000292429405 524028037 /nfs/dbraw/zinc/02/80/37/524028037.db2.gz NLTGBNPFBDWVDI-CQSZACIVSA-N 0 3 290.432 3.142 20 30 CGEDHN CC(C)(C)OCCCCN(CCC#N)CC1CC1 ZINC000354841504 526549782 /nfs/dbraw/zinc/54/97/82/526549782.db2.gz FGOLELZMQOFVCD-UHFFFAOYSA-N 0 3 252.402 3.207 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2sccc2CC)CC1 ZINC000106034796 526602633 /nfs/dbraw/zinc/60/26/33/526602633.db2.gz MPXUOLIAPQXVLN-UHFFFAOYSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(C)CN1CCC(Nc2cc(C(C)C)ncn2)CC1 ZINC000347125295 526606676 /nfs/dbraw/zinc/60/66/76/526606676.db2.gz JNXGBEOQFZETSE-UHFFFAOYSA-N 0 3 274.412 3.052 20 30 CGEDHN C=C(C)CNCc1cc(-c2ccncc2)ccc1OC ZINC000352866015 526624898 /nfs/dbraw/zinc/62/48/98/526624898.db2.gz IXXOOBUEQSCJBT-UHFFFAOYSA-N 0 3 268.360 3.423 20 30 CGEDHN C=C(CNCc1ccc(CC)nc1)c1ccccc1 ZINC000352777130 526881345 /nfs/dbraw/zinc/88/13/45/526881345.db2.gz AKLUBRFRWBIIGY-UHFFFAOYSA-N 0 3 252.361 3.447 20 30 CGEDHN C=C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000353332283 526904752 /nfs/dbraw/zinc/90/47/52/526904752.db2.gz YYYVWGRSMVPNOK-UHFFFAOYSA-N 0 3 253.349 3.024 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(C)(OC)CC1 ZINC000354747612 526931881 /nfs/dbraw/zinc/93/18/81/526931881.db2.gz JGZFMBMFXWIOSG-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000346976274 527194608 /nfs/dbraw/zinc/19/46/08/527194608.db2.gz ZLKTXTTVOMLLKZ-CABCVRRESA-N 0 3 286.419 3.251 20 30 CGEDHN C=C[C@@H](CO)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000353580707 527444101 /nfs/dbraw/zinc/44/41/01/527444101.db2.gz XHAFLEJTFNOIDD-UFBFGSQYSA-N 0 3 272.175 3.117 20 30 CGEDHN C=CCC[C@@H](NC[C@@H]1CCCN1CC)c1ccco1 ZINC000353444001 527450064 /nfs/dbraw/zinc/45/00/64/527450064.db2.gz FEBQCSOXNZMCOB-LSDHHAIUSA-N 0 3 262.397 3.361 20 30 CGEDHN CC(C)CCN(CCC#N)C[C@H]1CCO[C@@H](C)C1 ZINC000352716822 527715671 /nfs/dbraw/zinc/71/56/71/527715671.db2.gz HLGNVLUKTMVAPX-GJZGRUSLSA-N 0 3 252.402 3.063 20 30 CGEDHN CCN(CCC1CC1)Cc1cn2ccccc2c1C#N ZINC000355056698 528424491 /nfs/dbraw/zinc/42/44/91/528424491.db2.gz KXVKDDJNYXFFDZ-UHFFFAOYSA-N 0 3 267.376 3.433 20 30 CGEDHN CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(C)C#N ZINC000347394315 528758283 /nfs/dbraw/zinc/75/82/83/528758283.db2.gz XYKOKOCCMFWYLS-ZFWWWQNUSA-N 0 3 288.391 3.448 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCCCC2 ZINC000519015549 535507030 /nfs/dbraw/zinc/50/70/30/535507030.db2.gz GAWHGLBNBSGCFU-DLBZAZTESA-N 0 3 299.418 3.171 20 30 CGEDHN CC[C@@H](C)N1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000451824548 535566329 /nfs/dbraw/zinc/56/63/29/535566329.db2.gz PGDKQXGNQMCARJ-HUUCEWRRSA-N 0 3 271.408 3.035 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000728712078 571816184 /nfs/dbraw/zinc/81/61/84/571816184.db2.gz YDARZJYXIISHOY-AWEZNQCLSA-N 0 3 291.354 3.139 20 30 CGEDHN CCCCCCCN1CCN(Cc2ccccn2)CC1 ZINC000740873725 571890174 /nfs/dbraw/zinc/89/01/74/571890174.db2.gz YOFJZFPSRMZEOA-UHFFFAOYSA-N 0 3 275.440 3.170 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1csc2ccccc21 ZINC000730021881 571941959 /nfs/dbraw/zinc/94/19/59/571941959.db2.gz KTYNJLKUYGJLER-NWDGAFQWSA-N 0 3 288.416 3.243 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1snc(Cl)c1C#N ZINC000730806577 572377008 /nfs/dbraw/zinc/37/70/08/572377008.db2.gz SSMXUNGQPOUDPP-NXEZZACHSA-N 0 3 298.843 3.343 20 30 CGEDHN Cc1cccc2c1CCN(Cc1ccc(OCC#N)cc1)C2 ZINC000731213351 572403129 /nfs/dbraw/zinc/40/31/29/572403129.db2.gz SCERYFUFFWUMOK-UHFFFAOYSA-N 0 3 292.382 3.456 20 30 CGEDHN C=CCN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000725799460 572407273 /nfs/dbraw/zinc/40/72/73/572407273.db2.gz UZHRHSPPSUTVJP-HUUCEWRRSA-N 0 3 294.439 3.426 20 30 CGEDHN C[C@@H]1C[C@H](/N=C\c2c([O-])ccc3ccccc32)CC[N@@H+]1C ZINC000741463324 572412133 /nfs/dbraw/zinc/41/21/33/572412133.db2.gz DCHNZJHDLANYMT-WTSPJTHGSA-N 0 3 282.387 3.447 20 30 CGEDHN C[C@@H]1C[C@H](/N=C\c2c([O-])ccc3ccccc32)CC[N@H+]1C ZINC000741463324 572412136 /nfs/dbraw/zinc/41/21/36/572412136.db2.gz DCHNZJHDLANYMT-WTSPJTHGSA-N 0 3 282.387 3.447 20 30 CGEDHN CCCCCCCN1CCC[C@H](N2CCCCC2=O)C1 ZINC000740877307 572464938 /nfs/dbraw/zinc/46/49/38/572464938.db2.gz LWFAZPYQUPTPFG-INIZCTEOSA-N 0 3 280.456 3.434 20 30 CGEDHN Cc1ccc(O)c(CNCc2cc(C#N)ccc2F)c1 ZINC000742383955 572574241 /nfs/dbraw/zinc/57/42/41/572574241.db2.gz WFKFUWRZNLBSSM-UHFFFAOYSA-N 0 3 270.307 3.001 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC(F)(F)F)nc21 ZINC000744159868 572715602 /nfs/dbraw/zinc/71/56/02/572715602.db2.gz HPUBXSGKJLIEBT-VIFPVBQESA-N 0 3 295.264 3.390 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC(F)(F)F)[nH]c21 ZINC000744159868 572715605 /nfs/dbraw/zinc/71/56/05/572715605.db2.gz HPUBXSGKJLIEBT-VIFPVBQESA-N 0 3 295.264 3.390 20 30 CGEDHN CCN(C)c1ccc(C(C)=NNC2CCCC2)cc1 ZINC000748075052 572959085 /nfs/dbraw/zinc/95/90/85/572959085.db2.gz FMSJTOVJRCBJKK-UHFFFAOYSA-N 0 3 259.397 3.399 20 30 CGEDHN CCCCCCN(C)CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000748721123 572982911 /nfs/dbraw/zinc/98/29/11/572982911.db2.gz KDURKKQHEGCETR-MRXNPFEDSA-N 0 3 293.455 3.087 20 30 CGEDHN C=C(C)CN(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749482446 573011949 /nfs/dbraw/zinc/01/19/49/573011949.db2.gz YLEVIFRNPYMUII-CQSZACIVSA-N 0 3 280.412 3.036 20 30 CGEDHN C=C(C)CN(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749482445 573012313 /nfs/dbraw/zinc/01/23/13/573012313.db2.gz YLEVIFRNPYMUII-AWEZNQCLSA-N 0 3 280.412 3.036 20 30 CGEDHN CCCCCCCCN1C[C@H](COC)O[C@@H](C)C1 ZINC000784367858 628809940 /nfs/dbraw/zinc/80/99/40/628809940.db2.gz CPJOEOBQMIFGCK-LSDHHAIUSA-N 0 3 257.418 3.083 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819729826 607012193 /nfs/dbraw/zinc/01/21/93/607012193.db2.gz NGIXYXJRSBHZKC-YNEHKIRRSA-N 0 3 285.395 3.118 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819729826 607012194 /nfs/dbraw/zinc/01/21/94/607012194.db2.gz NGIXYXJRSBHZKC-YNEHKIRRSA-N 0 3 285.395 3.118 20 30 CGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1coc(C)c1 ZINC000968821829 613307194 /nfs/dbraw/zinc/30/71/94/613307194.db2.gz GGEUPPMVEMBWBS-INIZCTEOSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841307 613334081 /nfs/dbraw/zinc/33/40/81/613334081.db2.gz YWSHTSBBPFYXPD-DOTOQJQBSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000963255703 613374441 /nfs/dbraw/zinc/37/44/41/613374441.db2.gz ZTMZKBMCTKLXIO-GJZGRUSLSA-N 0 3 298.858 3.098 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CN(CC=C(C)C)CC[C@@H]2C)C1 ZINC000968276148 613401507 /nfs/dbraw/zinc/40/15/07/613401507.db2.gz VDQYGIDAAUVAJS-HOTGVXAUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C1CCC(C(=O)N[C@H](C)C2CN(CC=C(C)C)C2)CC1 ZINC000970365669 613411309 /nfs/dbraw/zinc/41/13/09/613411309.db2.gz DRBOTKYHVFRCGX-OAHLLOKOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC000964682911 613518439 /nfs/dbraw/zinc/51/84/39/613518439.db2.gz GQCLJFKGJMEWRZ-TZMCWYRMSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C)ccc2C2CC2)C1 ZINC000972005521 613635854 /nfs/dbraw/zinc/63/58/54/613635854.db2.gz MPKGRJSSZXURLG-INIZCTEOSA-N 0 3 298.430 3.205 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)CC3(C)CCCC3)C2)C1 ZINC000981749000 613677508 /nfs/dbraw/zinc/67/75/08/613677508.db2.gz PQUJUFIMXDNGDP-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@@H](C)C1 ZINC000945332705 613794303 /nfs/dbraw/zinc/79/43/03/613794303.db2.gz FVMRBIMTBANUES-ZFWWWQNUSA-N 0 3 290.407 3.029 20 30 CGEDHN C#CCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000070197455 617949350 /nfs/dbraw/zinc/94/93/50/617949350.db2.gz UROASAGNEVCUAV-SFHVURJKSA-N 0 3 265.356 3.398 20 30 CGEDHN N#Cc1cc2ccccc2nc1NCCN1CCCCC1 ZINC000071385873 618088780 /nfs/dbraw/zinc/08/87/80/618088780.db2.gz GUXWRFRUVNWUBF-UHFFFAOYSA-N 0 3 280.375 3.004 20 30 CGEDHN Cc1cc(F)ccc1CNCc1ccc(C#N)cc1 ZINC000050576629 618124338 /nfs/dbraw/zinc/12/43/38/618124338.db2.gz FXNOWHDKUSWOAU-UHFFFAOYSA-N 0 3 254.308 3.296 20 30 CGEDHN C#CCC1(NCc2cc(Cl)ccc2OCC#N)CCC1 ZINC000933301237 618196496 /nfs/dbraw/zinc/19/64/96/618196496.db2.gz KRFLJVFMHYMSSS-UHFFFAOYSA-N 0 3 288.778 3.278 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1csc(C#N)c1 ZINC000892019072 618491179 /nfs/dbraw/zinc/49/11/79/618491179.db2.gz NTQSTCCTRQRSRP-GFCCVEGCSA-N 0 3 286.400 3.388 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000775183134 619004062 /nfs/dbraw/zinc/00/40/62/619004062.db2.gz JAWGVQRPPXWJDS-ZDUSSCGKSA-N 0 3 253.345 3.302 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](N[C@H](C)CC(C)(C)C#N)CO2 ZINC000925535078 619031051 /nfs/dbraw/zinc/03/10/51/619031051.db2.gz SUBNCSWVQCFZQJ-OCCSQVGLSA-N 0 3 258.365 3.347 20 30 CGEDHN C[C@H](C#N)OCCNC(c1ccccc1)c1ccccc1 ZINC000314211418 619221692 /nfs/dbraw/zinc/22/16/92/619221692.db2.gz NUPBHHJENCSDEA-OAHLLOKOSA-N 0 3 280.371 3.294 20 30 CGEDHN CC1(C)COC[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000894357830 619503020 /nfs/dbraw/zinc/50/30/20/619503020.db2.gz BHMLQAPSMBWMFN-GJZGRUSLSA-N 0 3 258.365 3.046 20 30 CGEDHN C#C[C@@H](C)NCc1cc2ccnc(Cl)c2s1 ZINC000894737737 619617171 /nfs/dbraw/zinc/61/71/71/619617171.db2.gz GHWDLFSUZSPTJX-MRVPVSSYSA-N 0 3 250.754 3.061 20 30 CGEDHN CCCCCCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000310856367 619679827 /nfs/dbraw/zinc/67/98/27/619679827.db2.gz NDKHGGBQHBTKCV-LBPRGKRZSA-N 0 3 267.335 3.346 20 30 CGEDHN FC(F)(F)[C@@H]1CCC[C@H](CNCC#Cc2ccccc2)O1 ZINC000896824263 620071517 /nfs/dbraw/zinc/07/15/17/620071517.db2.gz SIYTYJKYYOELOO-CABCVRRESA-N 0 3 297.320 3.128 20 30 CGEDHN COc1ccc(CN[C@H](C)c2ccccc2)cc1C#N ZINC000087822231 620072866 /nfs/dbraw/zinc/07/28/66/620072866.db2.gz RPZFOSVUZDUMHH-CYBMUJFWSA-N 0 3 266.344 3.418 20 30 CGEDHN CC[C@@H](C)[C@H](CN(C)Cc1cc(C#N)cs1)OC ZINC000897624300 620410988 /nfs/dbraw/zinc/41/09/88/620410988.db2.gz HNZNYBCQOXYZQB-RISCZKNCSA-N 0 3 266.410 3.113 20 30 CGEDHN C#CCOc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000898324009 620506162 /nfs/dbraw/zinc/50/61/62/620506162.db2.gz BDIMNFKADXCWBJ-IBGZPJMESA-N 0 3 292.382 3.335 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000989717292 620522380 /nfs/dbraw/zinc/52/23/80/620522380.db2.gz AVYQZMUOWQCDCN-SFHVURJKSA-N 0 3 290.451 3.233 20 30 CGEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)N(C)c1ccccc1 ZINC000902746806 621423459 /nfs/dbraw/zinc/42/34/59/621423459.db2.gz OTWKKLZSRNDNJU-GJZGRUSLSA-N 0 3 294.402 3.129 20 30 CGEDHN C[C@H](NCCCOc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902779243 621436565 /nfs/dbraw/zinc/43/65/65/621436565.db2.gz PHZJADQSSFGXLG-ZDUSSCGKSA-N 0 3 299.349 3.212 20 30 CGEDHN C[C@@H](COc1ccccc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902778972 621436918 /nfs/dbraw/zinc/43/69/18/621436918.db2.gz LGJQBQNKIVMPRE-KBPBESRZSA-N 0 3 281.359 3.071 20 30 CGEDHN CC[C@H](N[C@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000902806528 621444471 /nfs/dbraw/zinc/44/44/71/621444471.db2.gz LOMNTRGINDXRNS-ZWKOTPCHSA-N 0 3 280.371 3.333 20 30 CGEDHN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1cccc(C#N)c1 ZINC000902888615 621486323 /nfs/dbraw/zinc/48/63/23/621486323.db2.gz UPNGJOKQGRYDST-IAQYHMDHSA-N 0 3 254.337 3.083 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1c1ccccc1F)c1cc(C#N)ccn1 ZINC000903016835 621519863 /nfs/dbraw/zinc/51/98/63/621519863.db2.gz IHQITMATNYUKLU-PZSREKOKSA-N 0 3 281.334 3.299 20 30 CGEDHN CC[C@H](N[C@@H](C)c1ccnn1C)c1cccc(C#N)c1 ZINC000903080993 621562110 /nfs/dbraw/zinc/56/21/10/621562110.db2.gz SJRDLXWCNFEQMM-WFASDCNBSA-N 0 3 268.364 3.094 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCC(C)(C)C#N)C1(C)C ZINC000903101519 621574695 /nfs/dbraw/zinc/57/46/95/621574695.db2.gz HXMDDBHLRMVPRQ-RYUDHWBXSA-N 0 3 252.402 3.108 20 30 CGEDHN Cc1ccccc1C[C@@H](NCC(C)(C)C#N)C1CC1 ZINC000903102431 621575857 /nfs/dbraw/zinc/57/58/57/621575857.db2.gz ZFHXZPGMRKTARR-MRXNPFEDSA-N 0 3 256.393 3.456 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(C#N)cc1F ZINC000903253026 621642131 /nfs/dbraw/zinc/64/21/31/621642131.db2.gz IBRZEJONJJLIGH-BADVODKLSA-N 0 3 258.340 3.392 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@H]12 ZINC000992288993 623503766 /nfs/dbraw/zinc/50/37/66/623503766.db2.gz URLJXKMAMOYUDI-HKUYNNGSSA-N 0 3 296.414 3.242 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCCC3)CCC[C@H]12 ZINC000992409782 623544165 /nfs/dbraw/zinc/54/41/65/623544165.db2.gz ULGNERYXQVMXAK-QILLFSRXSA-N 0 3 290.451 3.112 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000753965759 623742925 /nfs/dbraw/zinc/74/29/25/623742925.db2.gz HDKLRBCZWXOHTK-SNVBAGLBSA-N 0 3 263.772 3.365 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993196464 623941208 /nfs/dbraw/zinc/94/12/08/623941208.db2.gz INLQXODTBHEABC-RDJZCZTQSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993651942 624055788 /nfs/dbraw/zinc/05/57/88/624055788.db2.gz AMVJSBOQOIOSMN-ZBFHGGJFSA-N 0 3 290.451 3.112 20 30 CGEDHN CC(C)[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000073089487 624068803 /nfs/dbraw/zinc/06/88/03/624068803.db2.gz FXDAJACMWKBCGD-GHMZBOCLSA-N 0 3 256.305 3.296 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994457665 624230566 /nfs/dbraw/zinc/23/05/66/624230566.db2.gz YMOBKPBVJJUJEU-NVXWUHKLSA-N 0 3 290.451 3.278 20 30 CGEDHN C/C=C/COc1ccc(CCC(C)=Nn2cnnc2)cc1 ZINC000920359186 624480637 /nfs/dbraw/zinc/48/06/37/624480637.db2.gz IKTWEWFXFFTQLK-SYKXLBOVSA-N 0 3 284.363 3.090 20 30 CGEDHN C=C(Br)CN[C@@H]1CCC[C@@H]1SCC ZINC000233841434 624648901 /nfs/dbraw/zinc/64/89/01/624648901.db2.gz RQQYGKRVKDKQCX-ZJUUUORDSA-N 0 3 264.232 3.159 20 30 CGEDHN C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1[O-] ZINC000179888034 624694707 /nfs/dbraw/zinc/69/47/07/624694707.db2.gz IABKWRQOWVFDPH-ZDUSSCGKSA-N 0 3 282.343 3.145 20 30 CGEDHN C#CCN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180096968 624714938 /nfs/dbraw/zinc/71/49/38/624714938.db2.gz XACFLWTXIVXTHF-CYBMUJFWSA-N 0 3 261.365 3.014 20 30 CGEDHN C#CCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181512907 624867619 /nfs/dbraw/zinc/86/76/19/624867619.db2.gz PNNROAKUYDPNOO-UHFFFAOYSA-N 0 3 269.304 3.277 20 30 CGEDHN C=CCC[C@@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000835266899 634420809 /nfs/dbraw/zinc/42/08/09/634420809.db2.gz FABQEIMZICPPPK-CYBMUJFWSA-N 0 3 261.365 3.260 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001001325969 625895371 /nfs/dbraw/zinc/89/53/71/625895371.db2.gz LJPIGUJWGHHXKP-SJORKVTESA-N 0 3 290.451 3.137 20 30 CGEDHN C[C@@H]1Cc2cc(CNCc3ccc(C#N)c(F)c3)ccc2O1 ZINC000922168037 625978161 /nfs/dbraw/zinc/97/81/61/625978161.db2.gz JZOCQAPQXWYMSV-GFCCVEGCSA-N 0 3 296.345 3.311 20 30 CGEDHN COc1ccc(CNCc2ccc(C)c(C#N)c2)c(C)c1 ZINC000922760192 626042757 /nfs/dbraw/zinc/04/27/57/626042757.db2.gz KDMOGHRPCWOYDC-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN Cc1ccc(CNCc2ccccc2N(C)C)cc1C#N ZINC000922759370 626043281 /nfs/dbraw/zinc/04/32/81/626043281.db2.gz PKVIFVKTQGBFPY-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2sccc2Cl)CC1 ZINC001005430463 626090231 /nfs/dbraw/zinc/09/02/31/626090231.db2.gz VWPNVGNTWWTHNA-UHFFFAOYSA-N 0 3 298.839 3.124 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nc3c(s2)COCC3)C1 ZINC000922960205 626107559 /nfs/dbraw/zinc/10/75/59/626107559.db2.gz KSFOYSGRDPOQJH-VXGBXAGGSA-N 0 3 278.421 3.050 20 30 CGEDHN N#CC(C(=O)C1CC(F)(F)C1)c1ccc2ccccc2n1 ZINC000753796970 626466254 /nfs/dbraw/zinc/46/62/54/626466254.db2.gz BBPPBEQZMQIQGC-GFCCVEGCSA-N 0 3 286.281 3.456 20 30 CGEDHN CC(C)CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1 ZINC000753938620 626469247 /nfs/dbraw/zinc/46/92/47/626469247.db2.gz KZWMFMGANJTPPI-HOTGVXAUSA-N 0 3 298.434 3.297 20 30 CGEDHN C#CC[C@H](NCc1ccnc(N(C)C)c1)c1ccccc1 ZINC000754141739 626560071 /nfs/dbraw/zinc/56/00/71/626560071.db2.gz PFFFGQGSYLWYLB-KRWDZBQOSA-N 0 3 279.387 3.002 20 30 CGEDHN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000754667623 626581051 /nfs/dbraw/zinc/58/10/51/626581051.db2.gz KUSJQIHSVAQWJR-LBPRGKRZSA-N 0 3 299.399 3.218 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccccc1Cl ZINC000755870887 626655434 /nfs/dbraw/zinc/65/54/34/626655434.db2.gz AJXQPVHMMCUUJJ-JTQLQIEISA-N 0 3 263.772 3.222 20 30 CGEDHN C=CCCOCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756777162 626731356 /nfs/dbraw/zinc/73/13/56/626731356.db2.gz WEVKNTBKBGLPRP-WCQYABFASA-N 0 3 279.355 3.262 20 30 CGEDHN C#CC[C@H](NCc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000756996227 626746098 /nfs/dbraw/zinc/74/60/98/626746098.db2.gz PCRNLPWSNMTEKW-INIZCTEOSA-N 0 3 275.355 3.417 20 30 CGEDHN C#CC[C@H](NCc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000756996227 626746101 /nfs/dbraw/zinc/74/61/01/626746101.db2.gz PCRNLPWSNMTEKW-INIZCTEOSA-N 0 3 275.355 3.417 20 30 CGEDHN CC(=NNCc1cccc(C)c1)c1ccc(N)cc1C ZINC000758119976 626827883 /nfs/dbraw/zinc/82/78/83/626827883.db2.gz WKQUUNPVWGDTJF-UHFFFAOYSA-N 0 3 267.376 3.399 20 30 CGEDHN CCCCCCCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000765193209 627242336 /nfs/dbraw/zinc/24/23/36/627242336.db2.gz MGRUJOJZFMMRBU-MRXNPFEDSA-N 0 3 280.456 3.480 20 30 CGEDHN C#CCCCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000766894267 627367863 /nfs/dbraw/zinc/36/78/63/627367863.db2.gz CSROXRIHKRXSMO-AWEZNQCLSA-N 0 3 292.373 3.057 20 30 CGEDHN CC#CCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000768012946 627449623 /nfs/dbraw/zinc/44/96/23/627449623.db2.gz MZXOFXJVVADGSA-GOSISDBHSA-N 0 3 299.414 3.388 20 30 CGEDHN CCN(CCc1ccccn1)Cc1ccc(C#N)s1 ZINC000769037586 627519862 /nfs/dbraw/zinc/51/98/62/627519862.db2.gz QKSGRUQWKYRPMH-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN C#CCN(CC)Cc1cccc(OC2CCCC2)c1 ZINC000769105725 627522384 /nfs/dbraw/zinc/52/23/84/627522384.db2.gz PEAPBUBJJIGMHL-UHFFFAOYSA-N 0 3 257.377 3.463 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000769142433 627525428 /nfs/dbraw/zinc/52/54/28/627525428.db2.gz XOOZTLRHJIKBLW-MCIONIFRSA-N 0 3 290.432 3.303 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cc(C)cc(Br)c1 ZINC000775183097 628067699 /nfs/dbraw/zinc/06/76/99/628067699.db2.gz HRPUZWIANDGPSK-NSHDSACASA-N 0 3 266.182 3.211 20 30 CGEDHN C#CCNC(=O)CN[C@H](CC1CCCCC1)c1ccccc1 ZINC000775323763 628082982 /nfs/dbraw/zinc/08/29/82/628082982.db2.gz RLYVKDHGQQAKEZ-GOSISDBHSA-N 0 3 298.430 3.037 20 30 CGEDHN C#CCN[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000775322583 628082999 /nfs/dbraw/zinc/08/29/99/628082999.db2.gz WHIAMQQGDWCZQP-KRWDZBQOSA-N 0 3 295.382 3.210 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000775382568 628087547 /nfs/dbraw/zinc/08/75/47/628087547.db2.gz YOLAQJQFCQUJGF-KRWDZBQOSA-N 0 3 278.355 3.431 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccccc1C(F)(F)F ZINC000775458597 628097563 /nfs/dbraw/zinc/09/75/63/628097563.db2.gz LTGGXWIAQDXNPB-MFKMUULPSA-N 0 3 273.298 3.293 20 30 CGEDHN C#C[C@H](N[C@H](C)c1ccc(C)cc1C)[C@@H]1CCCO1 ZINC000775572463 628109131 /nfs/dbraw/zinc/10/91/31/628109131.db2.gz AVANQIXXGFSRED-PVAVHDDUSA-N 0 3 257.377 3.135 20 30 CGEDHN C=C(C)CCN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000775620382 628113928 /nfs/dbraw/zinc/11/39/28/628113928.db2.gz OJAQWKHWWQDMPT-INIZCTEOSA-N 0 3 288.391 3.064 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C#N)c(F)c1 ZINC000776737226 628229067 /nfs/dbraw/zinc/22/90/67/628229067.db2.gz YFNFGMZWPSUFPI-LBPRGKRZSA-N 0 3 296.345 3.483 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC1(C)CC1 ZINC000778176449 628331971 /nfs/dbraw/zinc/33/19/71/628331971.db2.gz JNDPTRVKUDZXQB-UHFFFAOYSA-N 0 3 263.768 3.242 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCC=CO2)c([O-])c1 ZINC000780149874 628457223 /nfs/dbraw/zinc/45/72/23/628457223.db2.gz OYTYIXAOPKNDDE-YAJBTMAUSA-N 0 3 288.391 3.350 20 30 CGEDHN C#CCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000780305877 628481069 /nfs/dbraw/zinc/48/10/69/628481069.db2.gz PUZGOYXEBXMIQH-INIZCTEOSA-N 0 3 296.370 3.226 20 30 CGEDHN C#CCCCCCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000780392573 628486278 /nfs/dbraw/zinc/48/62/78/628486278.db2.gz NYFOLMVYPFCYBV-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN CC(=NN[C@H]1CCCC1(C)C)c1ccc(N)cc1C ZINC000782286420 628633734 /nfs/dbraw/zinc/63/37/34/628633734.db2.gz HDZFHFGVOKBVTP-HNNXBMFYSA-N 0 3 259.397 3.470 20 30 CGEDHN C#CCN(CC)Cc1cc(Cl)nc2ccccc12 ZINC000782507259 628650609 /nfs/dbraw/zinc/65/06/09/628650609.db2.gz LKKIVYULRIKAGF-UHFFFAOYSA-N 0 3 258.752 3.343 20 30 CGEDHN N#Cc1ccc(CNC2CC(c3ccc(F)cc3)C2)nc1 ZINC000783301340 628701350 /nfs/dbraw/zinc/70/13/50/628701350.db2.gz WIJRAKHJBFHZNQ-UHFFFAOYSA-N 0 3 281.334 3.128 20 30 CGEDHN C[C@H](NC[C@H]1CCC=CO1)c1ccc(C#N)cc1F ZINC000783310545 628702635 /nfs/dbraw/zinc/70/26/35/628702635.db2.gz PIUORKIDVOAGAY-WCQYABFASA-N 0 3 260.312 3.041 20 30 CGEDHN Clc1cccc(Cl)c1CCC=Nn1cnnc1 ZINC000790136680 629185389 /nfs/dbraw/zinc/18/53/89/629185389.db2.gz RYPYTEMSOOGOIH-UHFFFAOYSA-N 0 3 269.135 3.052 20 30 CGEDHN C=C[C@@](C)(CC)COC(=O)C1CCN(C2CC2)CC1 ZINC000805926730 629215338 /nfs/dbraw/zinc/21/53/38/629215338.db2.gz XXENMSIXEWBLLC-INIZCTEOSA-N 0 3 265.397 3.006 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccccc2OC(F)F)C1 ZINC000862443628 629377096 /nfs/dbraw/zinc/37/70/96/629377096.db2.gz RHBVGNDAZBWBRN-LBPRGKRZSA-N 0 3 265.303 3.133 20 30 CGEDHN C#CC[C@@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000862445651 629379245 /nfs/dbraw/zinc/37/92/45/629379245.db2.gz YUIROPZVWPWUEK-MASHWEEQSA-N 0 3 261.315 3.323 20 30 CGEDHN C#CC[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000862445630 629380059 /nfs/dbraw/zinc/38/00/59/629380059.db2.gz YNKSMRGMAJOIKK-AWEZNQCLSA-N 0 3 266.344 3.187 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793230242 629432674 /nfs/dbraw/zinc/43/26/74/629432674.db2.gz FNWRAJWFOKJAQV-DOMZBBRYSA-N 0 3 297.320 3.471 20 30 CGEDHN C#CCCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000796575494 629801610 /nfs/dbraw/zinc/80/16/10/629801610.db2.gz XKCXWHBQSMRZBK-GFCCVEGCSA-N 0 3 291.700 3.005 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CCc1ccccc1 ZINC000796630993 629807708 /nfs/dbraw/zinc/80/77/08/629807708.db2.gz BVMZWRKFBIGANL-FQEVSTJZSA-N 0 3 293.410 3.116 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cnn(-c2ccccc2)c1 ZINC000797586753 629964088 /nfs/dbraw/zinc/96/40/88/629964088.db2.gz MAOWZEPGRMFKEY-AWEZNQCLSA-N 0 3 280.375 3.217 20 30 CGEDHN C=CCCN1CCN([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000799174931 630153285 /nfs/dbraw/zinc/15/32/85/630153285.db2.gz URCMJDURGHAZBK-KRWDZBQOSA-N 0 3 276.399 3.471 20 30 CGEDHN O=C1C=C(NNc2cccc3ccccc32)C2CCCCN12 ZINC000799479084 630187912 /nfs/dbraw/zinc/18/79/12/630187912.db2.gz IUUWAAJFMIEZER-QGZVFWFLSA-N 0 3 293.370 3.393 20 30 CGEDHN N#CC[C@@H](O)CN1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000809577011 630753764 /nfs/dbraw/zinc/75/37/64/630753764.db2.gz IZAOCXQDLYGOFQ-WFJXPABVSA-N 0 3 284.403 3.219 20 30 CGEDHN C#Cc1ccc(CN[C@H](CCCO)c2ccccc2)cc1 ZINC000809621845 630764649 /nfs/dbraw/zinc/76/46/49/630764649.db2.gz SKFBLLRMQZXYOS-LJQANCHMSA-N 0 3 279.383 3.271 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000809683468 630779300 /nfs/dbraw/zinc/77/93/00/630779300.db2.gz CHIASZKBOQIBGP-OAHLLOKOSA-N 0 3 295.382 3.386 20 30 CGEDHN C#C[C@@H](NCC1=Cc2ccccc2OC1)C(C)(C)C ZINC000809781574 630806371 /nfs/dbraw/zinc/80/63/71/630806371.db2.gz WNWBUCMKSVIPCQ-MRXNPFEDSA-N 0 3 255.361 3.100 20 30 CGEDHN C#C[C@H](NCc1cccc(OC(F)F)c1)C(C)(C)C ZINC000809782161 630807142 /nfs/dbraw/zinc/80/71/42/630807142.db2.gz JJLIGVMEBWKMLG-ZDUSSCGKSA-N 0 3 267.319 3.426 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810034597 630832719 /nfs/dbraw/zinc/83/27/19/630832719.db2.gz VZEAFOYLWLRNAW-HNNXBMFYSA-N 0 3 280.412 3.086 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810048238 630833495 /nfs/dbraw/zinc/83/34/95/630833495.db2.gz ZGCLSLBPEOGLJR-CRAIPNDOSA-N 0 3 269.388 3.258 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000810145953 630846724 /nfs/dbraw/zinc/84/67/24/630846724.db2.gz KXOKNRLFKJAELI-NEPJUHHUSA-N 0 3 261.394 3.073 20 30 CGEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc[nH]1 ZINC000810228219 630856556 /nfs/dbraw/zinc/85/65/56/630856556.db2.gz CVNSGXNGAPNSSB-BDJLRTHQSA-N 0 3 251.333 3.224 20 30 CGEDHN C#CCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811482645 631073181 /nfs/dbraw/zinc/07/31/81/631073181.db2.gz NFPDUTCZWUMNNA-UHFFFAOYSA-N 0 3 287.146 3.405 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000876545383 634854073 /nfs/dbraw/zinc/85/40/73/634854073.db2.gz GRVYDDKZTCGCKL-ZDUSSCGKSA-N 0 3 280.799 3.393 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1C ZINC000876549299 634855774 /nfs/dbraw/zinc/85/57/74/634855774.db2.gz AKIDUASGDHEABU-SNVBAGLBSA-N 0 3 273.163 3.057 20 30 CGEDHN C#CCCOc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000813332356 631410708 /nfs/dbraw/zinc/41/07/08/631410708.db2.gz WKVOLAPSOYYXNI-UHFFFAOYSA-N 0 3 269.388 3.465 20 30 CGEDHN Nc1ccc2c(c1)C(=NNCc1ccccc1)CCC2 ZINC000814888270 631666957 /nfs/dbraw/zinc/66/69/57/631666957.db2.gz UKCXKFREKBXVLT-UHFFFAOYSA-N 0 3 265.360 3.099 20 30 CGEDHN CCOCC(C)(C)NCc1cc(Cl)ccc1OCC#N ZINC000815138014 631728573 /nfs/dbraw/zinc/72/85/73/631728573.db2.gz YEFCZSBYXXPGBU-UHFFFAOYSA-N 0 3 296.798 3.147 20 30 CGEDHN C#CCCCN[C@H](c1nc(Br)cs1)C1CC1 ZINC000817579076 632188395 /nfs/dbraw/zinc/18/83/95/632188395.db2.gz TXTNIHCLJDGYHL-NSHDSACASA-N 0 3 299.237 3.360 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000818346919 632312124 /nfs/dbraw/zinc/31/21/24/632312124.db2.gz KMOIJGHSXIAFLM-BJJXKVORSA-N 0 3 261.365 3.024 20 30 CGEDHN CCC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccn1 ZINC000819018857 632365901 /nfs/dbraw/zinc/36/59/01/632365901.db2.gz YWWKNJBLNJUVGK-AEFFLSMTSA-N 0 3 295.386 3.118 20 30 CGEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@](C)(O)c1ccccc1 ZINC000822521249 632959384 /nfs/dbraw/zinc/95/93/84/632959384.db2.gz ZADZWNKWUOLWLQ-SFHVURJKSA-N 0 3 298.361 3.037 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1nn(C)cc1C(F)F ZINC000866563407 633192366 /nfs/dbraw/zinc/19/23/66/633192366.db2.gz LFTHCAQXFLEYLF-UWVGGRQHSA-N 0 3 257.328 3.048 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Br)cn2)C1 ZINC000866569171 633198043 /nfs/dbraw/zinc/19/80/43/633198043.db2.gz NMHUFSGOSNGYGW-CMPLNLGQSA-N 0 3 294.196 3.016 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Br)cn2)C1 ZINC000866569172 633198367 /nfs/dbraw/zinc/19/83/67/633198367.db2.gz NMHUFSGOSNGYGW-JQWIXIFHSA-N 0 3 294.196 3.016 20 30 CGEDHN C#C[C@H](N[C@H]1CSC[C@H]1C)c1ccc(Cl)cc1 ZINC000824417542 633242011 /nfs/dbraw/zinc/24/20/11/633242011.db2.gz XNSZGFZKFWKTBV-SWHYSGLUSA-N 0 3 265.809 3.355 20 30 CGEDHN C#C[C@@H](N[C@@H]1CCCSCC1)c1ccc(F)cc1 ZINC000825955981 633391786 /nfs/dbraw/zinc/39/17/86/633391786.db2.gz VQKGBORPCNMCRL-HUUCEWRRSA-N 0 3 263.381 3.375 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN(C)CC2=CCSC2)cc1 ZINC000827806854 633520484 /nfs/dbraw/zinc/52/04/84/633520484.db2.gz WUPOCJPTJVPLSP-ZDUSSCGKSA-N 0 3 288.416 3.082 20 30 CGEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162332 633535241 /nfs/dbraw/zinc/53/52/41/633535241.db2.gz FXPRGGIIXWAPTJ-SJHCENCUSA-N 0 3 280.327 3.296 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2csc(C3CC3)n2)CC1 ZINC000873198372 634283562 /nfs/dbraw/zinc/28/35/62/634283562.db2.gz GVLIPBUOVOYMAX-AULYBMBSSA-N 0 3 260.406 3.302 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000876657466 634877228 /nfs/dbraw/zinc/87/72/28/634877228.db2.gz OKYZIIXKUWVEBW-HUUCEWRRSA-N 0 3 294.826 3.312 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CSCC)c1 ZINC000876676120 634879724 /nfs/dbraw/zinc/87/97/24/634879724.db2.gz RZENTKDVGLPNLP-ZDUSSCGKSA-N 0 3 298.839 3.348 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC000877053200 634964564 /nfs/dbraw/zinc/96/45/64/634964564.db2.gz GKBARDXMLQXYSN-CABCVRRESA-N 0 3 294.826 3.278 20 30 CGEDHN C=CCC(F)(F)C(=O)OC[C@@H]1CCCCN1C(C)C ZINC000837745824 634978608 /nfs/dbraw/zinc/97/86/08/634978608.db2.gz XJORSWNFVUPKCN-LBPRGKRZSA-N 0 3 275.339 3.004 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCC)c(C)c1 ZINC000877085181 634979427 /nfs/dbraw/zinc/97/94/27/634979427.db2.gz REFZSCVJEPVWQY-CYBMUJFWSA-N 0 3 296.798 3.192 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1CCSC ZINC000877142754 635001234 /nfs/dbraw/zinc/00/12/34/635001234.db2.gz VOFWATVMFSJHSU-GFCCVEGCSA-N 0 3 298.839 3.001 20 30 CGEDHN C[C@@H](CCc1cncc2ccccc21)NCC1(C#N)CC1 ZINC000877493587 635059625 /nfs/dbraw/zinc/05/96/25/635059625.db2.gz GGXJLQBAERCEPR-AWEZNQCLSA-N 0 3 279.387 3.449 20 30 CGEDHN C#C[C@H](NCc1cccc(Cl)c1N)C(C)(C)C ZINC000877534844 635076678 /nfs/dbraw/zinc/07/66/78/635076678.db2.gz OWIDTGZIVTZHRU-LBPRGKRZSA-N 0 3 250.773 3.060 20 30 CGEDHN C[C@]1(CCNCc2cc(C#N)cnc2Cl)CC1(F)F ZINC000877631988 635122691 /nfs/dbraw/zinc/12/26/91/635122691.db2.gz YLCOHYZEQXYELZ-LBPRGKRZSA-N 0 3 285.725 3.132 20 30 CGEDHN Cc1cccc([O-])c1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000877705066 635156502 /nfs/dbraw/zinc/15/65/02/635156502.db2.gz RGXPLQBNSKVBBR-UHFFFAOYSA-N 0 3 280.371 3.247 20 30 CGEDHN Cc1cccc([O-])c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877705066 635156506 /nfs/dbraw/zinc/15/65/06/635156506.db2.gz RGXPLQBNSKVBBR-UHFFFAOYSA-N 0 3 280.371 3.247 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2n[nH]cc21 ZINC000841760280 635232848 /nfs/dbraw/zinc/23/28/48/635232848.db2.gz DNMXIKGCZMGOEN-SJORKVTESA-N 0 3 292.386 3.326 20 30 CGEDHN CC(C)C[C@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000842017940 635255364 /nfs/dbraw/zinc/25/53/64/635255364.db2.gz VLPPWUQTYZFWCX-HNNXBMFYSA-N 0 3 290.407 3.308 20 30 CGEDHN C=CC[C@@H](C)N(CC)CC(=O)Nc1c(F)cccc1F ZINC000877931098 635276586 /nfs/dbraw/zinc/27/65/86/635276586.db2.gz GMXQOVGSPZEUJX-LLVKDONJSA-N 0 3 282.334 3.190 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1C2CCC1CC2)c1ccccc1 ZINC000877951165 635284673 /nfs/dbraw/zinc/28/46/73/635284673.db2.gz JHBRSZHWQRKVJT-ABHNRTSZSA-N 0 3 282.387 3.054 20 30 CGEDHN C#C[C@H](N[C@H](C)CCOC)c1ccc(Br)cc1 ZINC000842150591 635297169 /nfs/dbraw/zinc/29/71/69/635297169.db2.gz HDSLWSNNRZHCFK-RISCZKNCSA-N 0 3 296.208 3.138 20 30 CGEDHN C#CCCCCCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000878169013 635391143 /nfs/dbraw/zinc/39/11/43/635391143.db2.gz HWAFHOHOTZESFS-IBGZPJMESA-N 0 3 277.433 3.049 20 30 CGEDHN C=CC[C@@H](C)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000878560017 635557202 /nfs/dbraw/zinc/55/72/02/635557202.db2.gz CNJGOPINOJZAOQ-HUUCEWRRSA-N 0 3 274.408 3.102 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cc(OC)ccc2F)C1 ZINC000843421822 635664928 /nfs/dbraw/zinc/66/49/28/635664928.db2.gz ABCDCHFSQSJLGR-CYBMUJFWSA-N 0 3 261.340 3.070 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cnc(N(CC)CC)s2)C1 ZINC000843424164 635668830 /nfs/dbraw/zinc/66/88/30/635668830.db2.gz PWZQNRIZDLWAAH-CQSZACIVSA-N 0 3 291.464 3.225 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000844300927 635864158 /nfs/dbraw/zinc/86/41/58/635864158.db2.gz NKCBRENLMSNARB-UHFFFAOYSA-N 0 3 285.347 3.233 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2nccs2)C1 ZINC000880320149 635974343 /nfs/dbraw/zinc/97/43/43/635974343.db2.gz PZWZJQBFTNGPLL-ZDUSSCGKSA-N 0 3 299.399 3.013 20 30 CGEDHN C=CCC(C)(C)c1noc([C@H]2CC[C@@H](C3CC3)N2)n1 ZINC000844919686 635984173 /nfs/dbraw/zinc/98/41/73/635984173.db2.gz MYFHWLOGBGLVGH-NWDGAFQWSA-N 0 3 261.369 3.126 20 30 CGEDHN C#CCC1(O)CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000880480676 636008267 /nfs/dbraw/zinc/00/82/67/636008267.db2.gz BJWSGCANEXGMMJ-INIZCTEOSA-N 0 3 289.806 3.178 20 30 CGEDHN Cc1sccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005633 636128363 /nfs/dbraw/zinc/12/83/63/636128363.db2.gz ATHRWDFPGTVLOQ-MRXNPFEDSA-N 0 3 286.400 3.094 20 30 CGEDHN C=CCC[C@@H](NCc1nc(C)cs1)[C@@H]1CCCO1 ZINC000883169371 636564092 /nfs/dbraw/zinc/56/40/92/636564092.db2.gz USGXIDRWZXHELR-OLZOCXBDSA-N 0 3 266.410 3.055 20 30 CGEDHN C=CCC[C@H](NCc1ncc(C)s1)[C@@H]1CCCO1 ZINC000883192999 636576700 /nfs/dbraw/zinc/57/67/00/636576700.db2.gz MISADZOAQDBFFU-STQMWFEESA-N 0 3 266.410 3.055 20 30 CGEDHN C=CCCC[C@@H](N[C@@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000883203009 636582188 /nfs/dbraw/zinc/58/21/88/636582188.db2.gz QGNMVJDGFUKTRH-GOEBONIOSA-N 0 3 295.448 3.107 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000883388780 636731438 /nfs/dbraw/zinc/73/14/38/636731438.db2.gz CFNMVVXHWTVKND-AAEUAGOBSA-N 0 3 283.799 3.326 20 30 CGEDHN COc1cncc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000850328734 637018532 /nfs/dbraw/zinc/01/85/32/637018532.db2.gz XFEHDETXLGYWRR-GOSISDBHSA-N 0 3 293.370 3.129 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](O)c3ccccc31)CC2 ZINC000850526903 637105347 /nfs/dbraw/zinc/10/53/47/637105347.db2.gz SQWINUVICNEEQA-GUDVDZBRSA-N 0 3 290.366 3.314 20 30 CGEDHN C=C[C@@H](OC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000851451951 637397760 /nfs/dbraw/zinc/39/77/60/637397760.db2.gz NSRPTTLUEVCIDJ-QGZVFWFLSA-N 0 3 285.387 3.331 20 30 CGEDHN C[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1ccc(C#N)cc1F ZINC000886125081 637426118 /nfs/dbraw/zinc/42/61/18/637426118.db2.gz IYSUABCITBAJDU-KHIZAZIESA-N 0 3 288.366 3.306 20 30 CGEDHN N#Cc1ccc(CCN2CCc3c(F)cccc3C2)cc1 ZINC000851869361 637527088 /nfs/dbraw/zinc/52/70/88/637527088.db2.gz FDXUDVZGTHELOS-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN C#C[C@](C)(CC)NCc1ccc(OC(F)F)c(OC)c1 ZINC000852098445 637592157 /nfs/dbraw/zinc/59/21/57/637592157.db2.gz NKRYQBSAJLAMJZ-OAHLLOKOSA-N 0 3 283.318 3.188 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ncccn2)C1 ZINC000886681068 637648879 /nfs/dbraw/zinc/64/88/79/637648879.db2.gz RKDKTPNJZOEPCQ-RHSMWYFYSA-N 0 3 292.386 3.289 20 30 CGEDHN C#CCC1(NCc2cc(-c3ccccc3)no2)CCOCC1 ZINC000887124679 637753757 /nfs/dbraw/zinc/75/37/57/637753757.db2.gz OERNGPCGDFXMIY-UHFFFAOYSA-N 0 3 296.370 3.004 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(OCC2CC2)nc1 ZINC000924881420 638418806 /nfs/dbraw/zinc/41/88/06/638418806.db2.gz LRPULEWITAHDJF-CYBMUJFWSA-N 0 3 287.407 3.288 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CC(CC3CC3)C2)cc1 ZINC000857066546 638448926 /nfs/dbraw/zinc/44/89/26/638448926.db2.gz NHADBKYDPFWRMI-ZDUSSCGKSA-N 0 3 270.376 3.209 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1cccc(Br)n1 ZINC000925255882 638486507 /nfs/dbraw/zinc/48/65/07/638486507.db2.gz HFTBDBRWEJYGFG-RKDXNWHRSA-N 0 3 255.159 3.069 20 30 CGEDHN C[C@@H]1OC[C@H](N[C@@H](CCC#N)c2ccccc2)[C@@H]1C ZINC000925599926 638541324 /nfs/dbraw/zinc/54/13/24/638541324.db2.gz DIIVJQPRKWIAJF-VRKREXBASA-N 0 3 258.365 3.044 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925699865 638572177 /nfs/dbraw/zinc/57/21/77/638572177.db2.gz XVNZVQKQIDXAHU-VQIMIIECSA-N 0 3 296.414 3.254 20 30 CGEDHN N#CCC[C@@H](N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000857857103 638581914 /nfs/dbraw/zinc/58/19/14/638581914.db2.gz AAKAZNHXDKYNOG-HZPDHXFCSA-N 0 3 280.375 3.422 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024214 638620703 /nfs/dbraw/zinc/62/07/03/638620703.db2.gz VSJXWEQEZPAZCY-YOEHRIQHSA-N 0 3 299.418 3.494 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000925918549 638654614 /nfs/dbraw/zinc/65/46/14/638654614.db2.gz PIZXLDXCQTWPTL-LBPRGKRZSA-N 0 3 286.375 3.322 20 30 CGEDHN C#CC[C@H](COC)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000858335527 638685311 /nfs/dbraw/zinc/68/53/11/638685311.db2.gz ZYTFPCLTIUWESI-CYBMUJFWSA-N 0 3 285.309 3.142 20 30 CGEDHN N#CCCCN[C@@H]1CCCc2ncc(Br)cc21 ZINC000926133891 638718016 /nfs/dbraw/zinc/71/80/16/638718016.db2.gz UYNIHIFUWIGSTR-GFCCVEGCSA-N 0 3 294.196 3.115 20 30 CGEDHN C=CCCCCCN[C@@H](C)c1nn(CC)nc1C ZINC000926667127 638796320 /nfs/dbraw/zinc/79/63/20/638796320.db2.gz YGGVGUMBILJIPG-LBPRGKRZSA-N 0 3 250.390 3.003 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc(-c2ccccc2)no1 ZINC000926863844 638818923 /nfs/dbraw/zinc/81/89/23/638818923.db2.gz MJZFMQGOXJDJLD-UKRRQHHQSA-N 0 3 286.375 3.319 20 30 CGEDHN C=CCC[C@@H](NCc1nc2c(s1)COCC2)C1CC1 ZINC000927119968 638844784 /nfs/dbraw/zinc/84/47/84/638844784.db2.gz FKNKPCNAVPEQBN-GFCCVEGCSA-N 0 3 278.421 3.050 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCC2(CCC2)O1 ZINC000929162253 638904211 /nfs/dbraw/zinc/90/42/11/638904211.db2.gz JPWSVUAYGNWFFT-QGZVFWFLSA-N 0 3 284.403 3.482 20 30 CGEDHN C=CC1CCN(C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929617551 638935013 /nfs/dbraw/zinc/93/50/13/638935013.db2.gz ASLJAZOVSZYTAU-CHWSQXEVSA-N 0 3 277.330 3.384 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CCSC[C@H]1C ZINC000929686569 638940805 /nfs/dbraw/zinc/94/08/05/638940805.db2.gz BCRIJKFPRIKCCS-CYBMUJFWSA-N 0 3 260.406 3.112 20 30 CGEDHN N#Cc1cncc(CN[C@@H](c2cccs2)C2CC2)c1 ZINC000930187340 638980777 /nfs/dbraw/zinc/98/07/77/638980777.db2.gz FPBIVYYERWOTHJ-OAHLLOKOSA-N 0 3 269.373 3.256 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@H](O)C23CCCC3)c1 ZINC000930570446 639028608 /nfs/dbraw/zinc/02/86/08/639028608.db2.gz GWRXYXFRNFHOKC-HNNXBMFYSA-N 0 3 290.794 3.091 20 30 CGEDHN C=CCC1(NCc2noc3c2COCC3)CCCCC1 ZINC000931190438 639122717 /nfs/dbraw/zinc/12/27/17/639122717.db2.gz MXHHUQIYPHPRSX-UHFFFAOYSA-N 0 3 276.380 3.116 20 30 CGEDHN COc1cccc2c1CN(CC1CCC(C#N)CC1)C2 ZINC000931261825 639129076 /nfs/dbraw/zinc/12/90/76/639129076.db2.gz HHVCQPNMGYVKKP-UHFFFAOYSA-N 0 3 270.376 3.341 20 30 CGEDHN C/C=C/C[C@@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000931337445 639137502 /nfs/dbraw/zinc/13/75/02/639137502.db2.gz JXZQLKFFKJFEQB-BAABZTOOSA-N 0 3 255.365 3.131 20 30 CGEDHN Cc1cc(C)nc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000931508421 639162611 /nfs/dbraw/zinc/16/26/11/639162611.db2.gz FEQOKMFZJOSQAO-UHFFFAOYSA-N 0 3 279.387 3.245 20 30 CGEDHN C[C@H](NCCCOc1ccc(C#N)cc1)c1ccns1 ZINC000860053266 639273829 /nfs/dbraw/zinc/27/38/29/639273829.db2.gz UHZHDSHTWNBJIX-LBPRGKRZSA-N 0 3 287.388 3.134 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCCSC[C@@H]2C2CC2)c1 ZINC000933919092 639508697 /nfs/dbraw/zinc/50/86/97/639508697.db2.gz ZKILYHMWJWHGEN-MRXNPFEDSA-N 0 3 290.407 3.415 20 30 CGEDHN C=C(C)c1cccc(NC(=O)N2CCCN(CC)CC2)c1 ZINC000934878635 639696231 /nfs/dbraw/zinc/69/62/31/639696231.db2.gz OBWUZRBRTJPKGE-UHFFFAOYSA-N 0 3 287.407 3.279 20 30 CGEDHN C=CC1(CC(=O)N[C@@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000935311529 639785354 /nfs/dbraw/zinc/78/53/54/639785354.db2.gz DGSCOGKAMXJNCK-HNNXBMFYSA-N 0 3 290.451 3.280 20 30 CGEDHN C#CCN(Cc1ncc(C)c(OC)c1C)C1CCCC1 ZINC000155899536 639956071 /nfs/dbraw/zinc/95/60/71/639956071.db2.gz SFGXTSVTPLYHAE-UHFFFAOYSA-N 0 3 272.392 3.085 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccoc2C(C)C)CC1 ZINC001006458799 640320560 /nfs/dbraw/zinc/32/05/60/640320560.db2.gz PTFJDDOUGOHGNA-UHFFFAOYSA-N 0 3 290.407 3.125 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001006466065 640368637 /nfs/dbraw/zinc/36/86/37/640368637.db2.gz ZSGDQHXIJRFOPJ-UHFFFAOYSA-N 0 3 292.467 3.168 20 30 CGEDHN CCCCCCCCCN[C@H](C)c1nncn1C ZINC000088279028 640615990 /nfs/dbraw/zinc/61/59/90/640615990.db2.gz QJDUEOPGWLXZAW-CYBMUJFWSA-N 0 3 252.406 3.216 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001015215624 640978370 /nfs/dbraw/zinc/97/83/70/640978370.db2.gz MAPQWZHVZRMJIR-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015630351 640983087 /nfs/dbraw/zinc/98/30/87/640983087.db2.gz ZEJHUOABQUWIJX-QGZVFWFLSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015995278 640990095 /nfs/dbraw/zinc/99/00/95/640990095.db2.gz RNTQOKHBPWWWEB-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016344444 640995598 /nfs/dbraw/zinc/99/55/98/640995598.db2.gz CRALAQBBMHJMRQ-MAUKXSAKSA-N 0 3 298.430 3.028 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115904112 641027875 /nfs/dbraw/zinc/02/78/75/641027875.db2.gz MCOBNYGATRMKJD-OAHLLOKOSA-N 0 3 284.359 3.087 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@]2(C)CCC[C@H]2CC)C1 ZINC001020295040 641043747 /nfs/dbraw/zinc/04/37/47/641043747.db2.gz JWFCHKPRUBVQJY-IXYNUQLISA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccoc1Cl ZINC001157908342 805902703 /nfs/dbraw/zinc/90/27/03/805902703.db2.gz RIXDCQCQESMNGJ-GFCCVEGCSA-N 0 3 296.798 3.046 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(C)C ZINC001158667179 805982158 /nfs/dbraw/zinc/98/21/58/805982158.db2.gz KHHPHBDQLZOUOQ-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001252125808 806014130 /nfs/dbraw/zinc/01/41/30/806014130.db2.gz HDQIWUAVJXXLCV-FZKCQIBNSA-N 0 3 271.420 3.388 20 30 CGEDHN C=CCOC[C@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC001252465435 806048390 /nfs/dbraw/zinc/04/83/90/806048390.db2.gz GXTVJXVFHWJGKN-CJNGLKHVSA-N 0 3 295.810 3.040 20 30 CGEDHN C=CCOC[C@@H](O)CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC001252472903 806048820 /nfs/dbraw/zinc/04/88/20/806048820.db2.gz CFQMDVGKZITEOY-JKSUJKDBSA-N 0 3 295.810 3.040 20 30 CGEDHN C=CCC[C@@H](O)CN(Cc1ccccc1)Cc1ccncc1 ZINC001252593531 806078954 /nfs/dbraw/zinc/07/89/54/806078954.db2.gz JHXRDXSKXCBSGN-LJQANCHMSA-N 0 3 296.414 3.411 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CN1CC2(COC2)C1 ZINC001252980331 806145828 /nfs/dbraw/zinc/14/58/28/806145828.db2.gz RNIPVRVKAHAUCV-MRXNPFEDSA-N 0 3 283.456 3.210 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1C[C@H](F)C[C@H]1C ZINC001253234162 806188155 /nfs/dbraw/zinc/18/81/55/806188155.db2.gz VRPDAAZVMCYINT-KFWWJZLASA-N 0 3 257.393 3.306 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ccncc1F ZINC001253248815 806195640 /nfs/dbraw/zinc/19/56/40/806195640.db2.gz CKFLJSRHMIFUNF-OAHLLOKOSA-N 0 3 280.387 3.198 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ccc(OC)cn1 ZINC001253252667 806196809 /nfs/dbraw/zinc/19/68/09/806196809.db2.gz ZIXOMDLNGLNWCO-INIZCTEOSA-N 0 3 292.423 3.067 20 30 CGEDHN CCCCN(CC#N)C(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001160730288 806298670 /nfs/dbraw/zinc/29/86/70/806298670.db2.gz OWGOMMADMNSIGD-DLBZAZTESA-N 0 3 299.418 3.022 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001160932953 806322291 /nfs/dbraw/zinc/32/22/91/806322291.db2.gz NZZUXMROCQHHIA-RDJZCZTQSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cc(Cl)nc(C)c1C ZINC001160954501 806329508 /nfs/dbraw/zinc/32/95/08/806329508.db2.gz VWJONGVELMQALD-ZDUSSCGKSA-N 0 3 279.815 3.414 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1ncnc2cc(C)sc21 ZINC001160954505 806329533 /nfs/dbraw/zinc/32/95/33/806329533.db2.gz WAJRZSJGXHURPJ-LBPRGKRZSA-N 0 3 288.420 3.062 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)ccc2C)CC1 ZINC001161771244 806451707 /nfs/dbraw/zinc/45/17/07/806451707.db2.gz KJXQMPPMHBBVRF-UHFFFAOYSA-N 0 3 298.430 3.241 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001254636314 806466756 /nfs/dbraw/zinc/46/67/56/806466756.db2.gz WVVPUYGMFSAKEI-MWLCHTKSSA-N 0 3 252.720 3.261 20 30 CGEDHN CC(C)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC001254646649 806471366 /nfs/dbraw/zinc/47/13/66/806471366.db2.gz NTJBLPMJBUDPPI-DZKIICNBSA-N 0 3 257.381 3.451 20 30 CGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1[C@H]1CC[C@H](C#N)C1 ZINC001254648018 806471642 /nfs/dbraw/zinc/47/16/42/806471642.db2.gz WZSWHNZLNQSCLK-YDHLFZDLSA-N 0 3 280.375 3.435 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCCC[C@H]2c2cccnc2)C1 ZINC001254669537 806479550 /nfs/dbraw/zinc/47/95/50/806479550.db2.gz SHEZYPUSPOOTDQ-IMJJTQAJSA-N 0 3 255.365 3.301 20 30 CGEDHN CC[C@@H](CC#N)NCCCCCCCCCCO ZINC001255157926 806558635 /nfs/dbraw/zinc/55/86/35/806558635.db2.gz ZADSGFVGHPPEHX-HNNXBMFYSA-N 0 3 254.418 3.381 20 30 CGEDHN C#CCCCNc1ccc([C@H]2CCCCN2C)cn1 ZINC001162439928 806585929 /nfs/dbraw/zinc/58/59/29/806585929.db2.gz GRFBECVPDPTROU-OAHLLOKOSA-N 0 3 257.381 3.064 20 30 CGEDHN Cc1cc(CC#N)ccc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162776809 806663733 /nfs/dbraw/zinc/66/37/33/806663733.db2.gz CZKAARZNNMHUML-CYBMUJFWSA-N 0 3 290.370 3.420 20 30 CGEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c(C)o1 ZINC000127491654 799013546 /nfs/dbraw/zinc/01/35/46/799013546.db2.gz HSBZJIZQJBSACX-OAHLLOKOSA-N 0 3 296.326 3.166 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccsc2)cc1 ZINC000128429928 799018442 /nfs/dbraw/zinc/01/84/42/799018442.db2.gz UISMYDWCEJWKIX-AWEZNQCLSA-N 0 3 298.367 3.272 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1 ZINC000128577619 799019443 /nfs/dbraw/zinc/01/94/43/799019443.db2.gz YNSCVUSHIKMQPA-INIZCTEOSA-N 0 3 298.386 3.477 20 30 CGEDHN N#CC(C(=O)[C@H]1CC2CCC1CC2)c1ccccn1 ZINC000311802949 799225698 /nfs/dbraw/zinc/22/56/98/799225698.db2.gz BWNWGRSQGHHQNZ-CLRIEMFWSA-N 0 3 254.333 3.084 20 30 CGEDHN O=C(Nc1cnn(C(F)F)c1)[C@H]1CCCN1C1CCCC1 ZINC000329807482 799254658 /nfs/dbraw/zinc/25/46/58/799254658.db2.gz AEJPZCJDAQNAMZ-GFCCVEGCSA-N 0 3 298.337 3.273 20 30 CGEDHN C#C[C@@H](NCc1cc(Cl)c(OC)c(OC)c1)C(C)C ZINC000387637447 799447749 /nfs/dbraw/zinc/44/77/49/799447749.db2.gz UWSDODCMYVGFJB-CYBMUJFWSA-N 0 3 281.783 3.105 20 30 CGEDHN C=CCCSCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000696044546 799837294 /nfs/dbraw/zinc/83/72/94/799837294.db2.gz MSGUQLWFVHBZAD-GFCCVEGCSA-N 0 3 251.395 3.352 20 30 CGEDHN C#CC[C@@H](COC)NCc1cc(Cl)cc(Cl)c1 ZINC000716937116 800186913 /nfs/dbraw/zinc/18/69/13/800186913.db2.gz UFJNJVVWXRECFK-ZDUSSCGKSA-N 0 3 272.175 3.121 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724071930 800354823 /nfs/dbraw/zinc/35/48/23/800354823.db2.gz YDMZHEZPBOGKHI-VXGBXAGGSA-N 0 3 288.819 3.022 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccc(O)c(OC)c2)cc1 ZINC000809543979 800442505 /nfs/dbraw/zinc/44/25/05/800442505.db2.gz WDWMKLXKOMIFPV-UHFFFAOYSA-N 0 3 281.355 3.014 20 30 CGEDHN C#C[C@@H](OC(=O)C1CCN(C2CC2)CC1)c1ccc(C)cc1 ZINC000860962421 800525336 /nfs/dbraw/zinc/52/53/36/800525336.db2.gz JMRDUFPTGMUEJF-GOSISDBHSA-N 0 3 297.398 3.087 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001006209673 800697931 /nfs/dbraw/zinc/69/79/31/800697931.db2.gz DQZXUMCHUPQKQN-AEFFLSMTSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001006210234 800699253 /nfs/dbraw/zinc/69/92/53/800699253.db2.gz HZCASLAMKPPXBY-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001028112796 800832575 /nfs/dbraw/zinc/83/25/75/800832575.db2.gz FEFIFTAFCBZPIA-CQSZACIVSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001028268747 800839133 /nfs/dbraw/zinc/83/91/33/800839133.db2.gz ZLRHEWDHXXAOBE-GOSISDBHSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028341152 800844448 /nfs/dbraw/zinc/84/44/48/800844448.db2.gz ZUAYXBDBJPXSNY-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033733557 800978100 /nfs/dbraw/zinc/97/81/00/800978100.db2.gz DIZXVWGHBCOZMA-INIZCTEOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001034141879 801006941 /nfs/dbraw/zinc/00/69/41/801006941.db2.gz LOYJPRIKIUBVJF-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001034214561 801010488 /nfs/dbraw/zinc/01/04/88/801010488.db2.gz NYRJZGJDULGAEQ-HRCADAONSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001034502052 801030986 /nfs/dbraw/zinc/03/09/86/801030986.db2.gz CGWQSGZECWEMGS-ZDUSSCGKSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001038852048 801134620 /nfs/dbraw/zinc/13/46/20/801134620.db2.gz WUNDYWROCGCOCX-BRWVUGGUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038972318 801140191 /nfs/dbraw/zinc/14/01/91/801140191.db2.gz IPQBNOCOFRQCTD-QGZVFWFLSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@@H]21 ZINC001042181258 801201452 /nfs/dbraw/zinc/20/14/52/801201452.db2.gz FNAYGNDMEGLEOK-GJZGRUSLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)cccc3C)C[C@@H]21 ZINC001042243178 801203821 /nfs/dbraw/zinc/20/38/21/801203821.db2.gz PVLIEGQXLBYBHN-SJORKVTESA-N 0 3 298.430 3.026 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@]2(C)CCN(CC(=C)C)C2)cc1 ZINC001046643339 801319701 /nfs/dbraw/zinc/31/97/01/801319701.db2.gz AHRRETARWCSOPT-GOSISDBHSA-N 0 3 284.403 3.100 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccsc2Cl)C1 ZINC001046672987 801321780 /nfs/dbraw/zinc/32/17/80/801321780.db2.gz BTEZKWZDIRVYJU-AWEZNQCLSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419144 801370519 /nfs/dbraw/zinc/37/05/19/801370519.db2.gz MLHLUNKQVWQYFK-GJZGRUSLSA-N 0 3 292.398 3.035 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cscc2C)CC[C@@H]1C ZINC001071399480 801534333 /nfs/dbraw/zinc/53/43/33/801534333.db2.gz UHNFIDIRKUPYRF-KBPBESRZSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457996 801536576 /nfs/dbraw/zinc/53/65/76/801536576.db2.gz OVHVMYALXWPLOM-RDJZCZTQSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001079948104 801650772 /nfs/dbraw/zinc/65/07/72/801650772.db2.gz WBBPKVXABIRNLB-BRWVUGGUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001080984356 801656234 /nfs/dbraw/zinc/65/62/34/801656234.db2.gz QNKPWTQDSIQHEL-NUJGCVRESA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001085120661 801676456 /nfs/dbraw/zinc/67/64/56/801676456.db2.gz XPKWFRCHUQAMNW-HUUCEWRRSA-N 0 3 292.810 3.070 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085479552 801689559 /nfs/dbraw/zinc/68/95/59/801689559.db2.gz VPLNLPJSYYRMPO-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085612423 801696313 /nfs/dbraw/zinc/69/63/13/801696313.db2.gz QXSRUWNAMWCHHP-SJORKVTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001085669230 801697633 /nfs/dbraw/zinc/69/76/33/801697633.db2.gz VNDWZMXLSPYFOO-DLBZAZTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616405 801698124 /nfs/dbraw/zinc/69/81/24/801698124.db2.gz LRFZONSJIMBSGK-CQSZACIVSA-N 0 3 292.448 3.087 20 30 CGEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CCCC)CC1 ZINC001085801706 801705733 /nfs/dbraw/zinc/70/57/33/801705733.db2.gz ADPQWQLRNLQNCC-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CC[C@H](C)F)CC1 ZINC001085800761 801705825 /nfs/dbraw/zinc/70/58/25/801705825.db2.gz BGSDMACCOIQAJD-GOEBONIOSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085995657 801717979 /nfs/dbraw/zinc/71/79/79/801717979.db2.gz RXGZNCNGGNVXJJ-CQSZACIVSA-N 0 3 290.407 3.125 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001086189239 801721814 /nfs/dbraw/zinc/72/18/14/801721814.db2.gz PQHUYNPCPVWLAY-XQLPTFJDSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1CC ZINC001087537119 801754054 /nfs/dbraw/zinc/75/40/54/801754054.db2.gz YCRXWGSFRNSYOS-JKSUJKDBSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1CC ZINC001087736355 801766510 /nfs/dbraw/zinc/76/65/10/801766510.db2.gz LTNZQNAAYPCZDN-JKSUJKDBSA-N 0 3 286.419 3.072 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1CC ZINC001087806269 801769031 /nfs/dbraw/zinc/76/90/31/801769031.db2.gz WRCLZSXJQUXHHG-LSDHHAIUSA-N 0 3 292.810 3.109 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C=C(C)C)C1 ZINC001088253416 801777345 /nfs/dbraw/zinc/77/73/45/801777345.db2.gz QJILDQXKVFHONK-CQSZACIVSA-N 0 3 284.831 3.066 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089084081 801821499 /nfs/dbraw/zinc/82/14/99/801821499.db2.gz QXVZZMMQQUJFOU-OAGGEKHMSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC ZINC001099203750 801934700 /nfs/dbraw/zinc/93/47/00/801934700.db2.gz RHARXFMFZXGJSR-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102327438 802004877 /nfs/dbraw/zinc/00/48/77/802004877.db2.gz UHYPKXZNXQXFQL-LDPPUTLGSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C/CC)C1 ZINC001102733928 802019296 /nfs/dbraw/zinc/01/92/96/802019296.db2.gz CCTZUGBPHBQCQR-DUCLZDJCSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCCC1)C2 ZINC001110253497 802133630 /nfs/dbraw/zinc/13/36/30/802133630.db2.gz AAWREPSJAOUJBZ-ZACQAIPSSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110602422 802146384 /nfs/dbraw/zinc/14/63/84/802146384.db2.gz QVALFPWWSCRTMP-OAGGEKHMSA-N 0 3 290.451 3.276 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001111894392 802170110 /nfs/dbraw/zinc/17/01/10/802170110.db2.gz DDRKSGWMIRSKOM-MPGHIAIKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001111888649 802170205 /nfs/dbraw/zinc/17/02/05/802170205.db2.gz OKKSMKKJVONZRT-BQFCYCMXSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCN(CC2CCCC2)CC1 ZINC001112880759 802193204 /nfs/dbraw/zinc/19/32/04/802193204.db2.gz NFCZHEKLAZHPNY-UHFFFAOYSA-N 0 3 290.451 3.089 20 30 CGEDHN C=CCCCC(=O)N1CCN(CC2CCC(C)CC2)CC1 ZINC001113282150 802213483 /nfs/dbraw/zinc/21/34/83/802213483.db2.gz NAOCAAWIIKBRGL-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C2CC=CC2)CCCCC1 ZINC001115460301 802262561 /nfs/dbraw/zinc/26/25/61/802262561.db2.gz ZEGDPWAOUUHBOB-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN C[C@H]1CCc2c(scc2C(=O)C(C#N)c2nccn2C)C1 ZINC001122609658 802876926 /nfs/dbraw/zinc/87/69/26/802876926.db2.gz LUPVIYMZXPTCRR-JQWIXIFHSA-N 0 3 299.399 3.096 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C(CC)(CC)CC ZINC001123236989 802920312 /nfs/dbraw/zinc/92/03/12/802920312.db2.gz LVFICISYKWNGIO-LBPRGKRZSA-N 0 3 261.369 3.296 20 30 CGEDHN C=C(CC)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001123593180 802955566 /nfs/dbraw/zinc/95/55/66/802955566.db2.gz CKFFREYTRIHIRY-MRXNPFEDSA-N 0 3 286.419 3.076 20 30 CGEDHN CN(C)Cc1ccnc(-c2ccc(C#N)cc2Cl)c1 ZINC001244328085 803306628 /nfs/dbraw/zinc/30/66/28/803306628.db2.gz PTMLKYADRKPKAQ-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN C=CC1(CC(=O)N[C@@]2(C)CN3CCC2CC3)CCCCC1 ZINC001131000636 803307092 /nfs/dbraw/zinc/30/70/92/803307092.db2.gz YEXFDUVKCKSLAV-KRWDZBQOSA-N 0 3 290.451 3.114 20 30 CGEDHN CN(C)Cc1cncc(-c2ccc(C#N)cc2Cl)c1 ZINC001244330509 803308853 /nfs/dbraw/zinc/30/88/53/803308853.db2.gz WDXNQENFXYGHFG-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131817384 803348324 /nfs/dbraw/zinc/34/83/24/803348324.db2.gz MLSPBQRREDPLJM-GJZGRUSLSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCCF)C2)CCC1 ZINC001132281811 803389599 /nfs/dbraw/zinc/38/95/99/803389599.db2.gz FSWFVBLEMLSOFP-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN COCCN(C)Cc1ccnc(-c2ccc(C)c(C#N)c2)c1 ZINC001244481551 803392432 /nfs/dbraw/zinc/39/24/32/803392432.db2.gz DXYHHHCGZUTCNV-UHFFFAOYSA-N 0 3 295.386 3.007 20 30 CGEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C/Cl ZINC001133883772 803508947 /nfs/dbraw/zinc/50/89/47/803508947.db2.gz GIWWDDVWLRRGRH-JNBVNVQXSA-N 0 3 293.238 3.145 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001134428701 803537583 /nfs/dbraw/zinc/53/75/83/803537583.db2.gz YAFYFGUKHSNUBV-ZDUSSCGKSA-N 0 3 292.398 3.195 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4ncccc34)CCC2S1 ZINC001137626016 803746637 /nfs/dbraw/zinc/74/66/37/803746637.db2.gz YBNBIBCLPFLEBL-MRXNPFEDSA-N 0 3 296.395 3.009 20 30 CGEDHN CCCN(Cc1ccc(OC)cc1C#N)CC1CC1 ZINC001137698363 803759091 /nfs/dbraw/zinc/75/90/91/803759091.db2.gz UBWZFGPHXGLOGR-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN C#CCN(C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001138583269 803975038 /nfs/dbraw/zinc/97/50/38/803975038.db2.gz ALNBOFFNUPVBEG-UHFFFAOYSA-N 0 3 275.355 3.091 20 30 CGEDHN C=CCc1cccc(CN(C)Cc2ccncc2)c1O ZINC001138625600 803983322 /nfs/dbraw/zinc/98/33/22/803983322.db2.gz PVLBVTVBRYNCAH-UHFFFAOYSA-N 0 3 268.360 3.148 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)Cc2ccncc2)c1[O-] ZINC001138625600 803983329 /nfs/dbraw/zinc/98/33/29/803983329.db2.gz PVLBVTVBRYNCAH-UHFFFAOYSA-N 0 3 268.360 3.148 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccncc2)c1[O-] ZINC001138625600 803983333 /nfs/dbraw/zinc/98/33/33/803983333.db2.gz PVLBVTVBRYNCAH-UHFFFAOYSA-N 0 3 268.360 3.148 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](CF)C2)c1[O-] ZINC001138627746 803986679 /nfs/dbraw/zinc/98/66/79/803986679.db2.gz FHPSYUHWCJRFQK-CYBMUJFWSA-N 0 3 263.356 3.302 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](CF)C2)c1[O-] ZINC001138627746 803986686 /nfs/dbraw/zinc/98/66/86/803986686.db2.gz FHPSYUHWCJRFQK-CYBMUJFWSA-N 0 3 263.356 3.302 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC[C@@]12CCOC2 ZINC001138665703 803997479 /nfs/dbraw/zinc/99/74/79/803997479.db2.gz UODNICDXJTZIBN-SFHVURJKSA-N 0 3 287.403 3.396 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@](C)(CF)C1 ZINC001139028986 804112209 /nfs/dbraw/zinc/11/22/09/804112209.db2.gz LXRLIKUZCRNVFW-MRXNPFEDSA-N 0 3 263.356 3.433 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2ccc3cccnc3c2)CC1 ZINC001139167715 804147808 /nfs/dbraw/zinc/14/78/08/804147808.db2.gz DAKCUZVMYIUOCD-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN Cc1nc2cc(C)ccn2c1CN1CCC(CC#N)CC1 ZINC001139681570 804250201 /nfs/dbraw/zinc/25/02/01/804250201.db2.gz ZTTCSOHRFHYENQ-UHFFFAOYSA-N 0 3 282.391 3.077 20 30 CGEDHN Cc1ccc(CN2CCc3cccc(O)c3C2)cc1C#N ZINC001139726116 804267047 /nfs/dbraw/zinc/26/70/47/804267047.db2.gz SOCBEXMTTVHOLJ-UHFFFAOYSA-N 0 3 278.355 3.131 20 30 CGEDHN C=CCn1cc(CN2CC[C@@H](c3ccccc3OC)C2)cn1 ZINC001139766902 804278229 /nfs/dbraw/zinc/27/82/29/804278229.db2.gz YGBZINSOWJERKL-MRXNPFEDSA-N 0 3 297.402 3.067 20 30 CGEDHN C=CCn1cc(CN2CCC3(CC(F)(F)C3)CC2)cn1 ZINC001139769003 804278292 /nfs/dbraw/zinc/27/82/92/804278292.db2.gz YJZKLDAPYFXCTJ-UHFFFAOYSA-N 0 3 281.350 3.080 20 30 CGEDHN O=C1C=C2CN(Cc3ccccc3C(F)F)CCC2S1 ZINC001139797113 804283000 /nfs/dbraw/zinc/28/30/00/804283000.db2.gz LDHNTFMIHMIXKD-CYBMUJFWSA-N 0 3 295.354 3.398 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001139869651 804302202 /nfs/dbraw/zinc/30/22/02/804302202.db2.gz OQKOGDUJXUHGQL-GJZGRUSLSA-N 0 3 280.456 3.025 20 30 CGEDHN C=CCN(Cc1cnc(Cl)nc1)C1CCCCC1 ZINC001139993465 804345408 /nfs/dbraw/zinc/34/54/08/804345408.db2.gz MJBLIHHCOMWKKE-UHFFFAOYSA-N 0 3 265.788 3.451 20 30 CGEDHN COc1cc(CN2CCC[C@@H](C#N)CC2)ccc1C ZINC001140159785 804391267 /nfs/dbraw/zinc/39/12/67/804391267.db2.gz ZIEYOXKTEQBDAZ-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN COc1cccc(CCCN(C)Cc2ccc(C#N)nc2)c1 ZINC001140545797 804458760 /nfs/dbraw/zinc/45/87/60/804458760.db2.gz LHJHQAOAHHBDSJ-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN C[C@H]1CN(Cc2cc(C#N)ccc2Cl)CCC[C@]1(C)O ZINC001140600353 804471358 /nfs/dbraw/zinc/47/13/58/804471358.db2.gz IQLRFNOXMIBYJQ-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C#N)CC2)c(C)c1 ZINC001140676576 804487089 /nfs/dbraw/zinc/48/70/89/804487089.db2.gz AIMBDQQXGVOIIC-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN Cc1cc([C@H]2CCCN2C2CCC(C#N)CC2)no1 ZINC001256965265 807019111 /nfs/dbraw/zinc/01/91/11/807019111.db2.gz OPFZHHFPPDMQKA-SSDMNJCBSA-N 0 3 259.353 3.202 20 30 CGEDHN CN(Cc1cnc(Cl)s1)C1CCC(C#N)CC1 ZINC001256964803 807019555 /nfs/dbraw/zinc/01/95/55/807019555.db2.gz DABIRLDQEUHVAO-UHFFFAOYSA-N 0 3 269.801 3.311 20 30 CGEDHN C=CCN(C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC001141705582 804665029 /nfs/dbraw/zinc/66/50/29/804665029.db2.gz RSRJOUQPYUEHSI-OWCLPIDISA-N 0 3 286.419 3.467 20 30 CGEDHN OC[C@H]1CCCN1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972364 804683028 /nfs/dbraw/zinc/68/30/28/804683028.db2.gz IKJJEAJAXGPULI-MRXNPFEDSA-N 0 3 297.423 3.105 20 30 CGEDHN CO[C@H]1CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972888 804683081 /nfs/dbraw/zinc/68/30/81/804683081.db2.gz UJWFTCLMBQZVFM-INIZCTEOSA-N 0 3 297.423 3.369 20 30 CGEDHN COc1cc(C)cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001143155858 804810620 /nfs/dbraw/zinc/81/06/20/804810620.db2.gz AWXBPNBWSYNOPL-MKZZRHPPSA-N 0 3 270.376 3.270 20 30 CGEDHN N#Cc1cncc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001144083581 804935145 /nfs/dbraw/zinc/93/51/45/804935145.db2.gz KTKJOBIJYYZLSB-IYBDPMFKSA-N 0 3 275.355 3.040 20 30 CGEDHN C=CCN(Cc1ccc(C#N)cn1)C1CCCCC1 ZINC001144166445 804947221 /nfs/dbraw/zinc/94/72/21/804947221.db2.gz GPIGJJYANQYZOT-UHFFFAOYSA-N 0 3 255.365 3.274 20 30 CGEDHN C=CCCN(Cc1ccccc1)Cc1ccc(O)cn1 ZINC001144258750 804963185 /nfs/dbraw/zinc/96/31/85/804963185.db2.gz FEMJFHJCRNQRQM-UHFFFAOYSA-N 0 3 268.360 3.366 20 30 CGEDHN C=CCC[N@H+](Cc1ccccc1)Cc1ccc([O-])cn1 ZINC001144258750 804963190 /nfs/dbraw/zinc/96/31/90/804963190.db2.gz FEMJFHJCRNQRQM-UHFFFAOYSA-N 0 3 268.360 3.366 20 30 CGEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1ccc([O-])cn1 ZINC001144258750 804963193 /nfs/dbraw/zinc/96/31/93/804963193.db2.gz FEMJFHJCRNQRQM-UHFFFAOYSA-N 0 3 268.360 3.366 20 30 CGEDHN C=CCCCCN(C)Cc1cccc(C(=O)OC)c1OC ZINC001248920248 805044432 /nfs/dbraw/zinc/04/44/32/805044432.db2.gz KLYMJLYQMQPDMN-UHFFFAOYSA-N 0 3 291.391 3.270 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC[C@@]4(CCOC4)C3)[nH]c2c1 ZINC001249427301 805147622 /nfs/dbraw/zinc/14/76/22/805147622.db2.gz YHKWGZQVKXHUCI-GOSISDBHSA-N 0 3 295.386 3.042 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)CCCC ZINC001152018995 805332449 /nfs/dbraw/zinc/33/24/49/805332449.db2.gz GAWVFSJLCMODAT-HZPDHXFCSA-N 0 3 280.456 3.053 20 30 CGEDHN C=C[C@@H](N[C@@H]1CC[C@H](C(=O)OCC)C1)c1ccccc1 ZINC001257043044 807034058 /nfs/dbraw/zinc/03/40/58/807034058.db2.gz GWQLNKBPBFGKMV-ARFHVFGLSA-N 0 3 273.376 3.235 20 30 CGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CCCC[C@H]2C)c1 ZINC001167072993 807143048 /nfs/dbraw/zinc/14/30/48/807143048.db2.gz WWZLWYGDXPCRGA-WBVHZDCISA-N 0 3 298.430 3.365 20 30 CGEDHN CCCCCCC[C@H](C)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001258045187 807274027 /nfs/dbraw/zinc/27/40/27/807274027.db2.gz YFVWPEMKWWLIDR-VVLHAWIVSA-N 0 3 283.456 3.207 20 30 CGEDHN CSCC[C@@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001258214955 807369402 /nfs/dbraw/zinc/36/94/02/807369402.db2.gz KRVZGISMMZTGBI-GFCCVEGCSA-N 0 3 260.406 3.058 20 30 CGEDHN CCCCCCCCC[C@@H](C)n1[n-]c(=O)nc1C[NH3+] ZINC001258231442 807378910 /nfs/dbraw/zinc/37/89/10/807378910.db2.gz OCRISFZGBPGFEX-GFCCVEGCSA-N 0 3 268.405 3.144 20 30 CGEDHN C=CCC[C@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001258731698 807577822 /nfs/dbraw/zinc/57/78/22/807577822.db2.gz DGHCYIGXJUMCBG-AWEZNQCLSA-N 0 3 287.382 3.174 20 30 CGEDHN C[C@@](C#N)(Nc1cccc(CN)n1)c1ccccc1Cl ZINC001169390123 807638244 /nfs/dbraw/zinc/63/82/44/807638244.db2.gz YNIPMEGGELAWMU-HNNXBMFYSA-N 0 3 286.766 3.045 20 30 CGEDHN C#CCOCCN(C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001261262384 807725415 /nfs/dbraw/zinc/72/54/15/807725415.db2.gz VYDPOKTULNLXAU-ZDUSSCGKSA-N 0 3 299.336 3.434 20 30 CGEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001170141868 807774084 /nfs/dbraw/zinc/77/40/84/807774084.db2.gz WXLMHXBPZPDBFF-OAHLLOKOSA-N 0 3 280.412 3.040 20 30 CGEDHN C[C@@H](CC#N)N[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170861178 807922973 /nfs/dbraw/zinc/92/29/73/807922973.db2.gz ARTRWHFWJLZUKB-IINYFYTJSA-N 0 3 293.208 3.198 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC001263152856 807936313 /nfs/dbraw/zinc/93/63/13/807936313.db2.gz WBQGAHPTKUQLAF-DGCLKSJQSA-N 0 3 288.382 3.000 20 30 CGEDHN COc1cc(OC)cc([C@H](C)NC#C[Si](C)(C)C)c1 ZINC001170929670 807937685 /nfs/dbraw/zinc/93/76/85/807937685.db2.gz JFXAJMHXKBQBAZ-LBPRGKRZSA-N 0 3 277.440 3.193 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ncccc1Cl ZINC001171185959 808002889 /nfs/dbraw/zinc/00/28/89/808002889.db2.gz SVHUOABQTBOGGP-LBPRGKRZSA-N 0 3 285.778 3.327 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCC(=O)c1cccc(F)c1 ZINC001171197752 808007898 /nfs/dbraw/zinc/00/78/98/808007898.db2.gz BYRCTSJTEHIPOJ-CYBMUJFWSA-N 0 3 296.345 3.101 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCC1 ZINC001264366288 808060441 /nfs/dbraw/zinc/06/04/41/808060441.db2.gz AGSFSBSKAAREHH-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN CCC[C@](C)(C#N)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171738536 808128739 /nfs/dbraw/zinc/12/87/39/808128739.db2.gz KGZPLEAESOEPEA-KBAYOESNSA-N 0 3 285.435 3.321 20 30 CGEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001265596599 808159550 /nfs/dbraw/zinc/15/95/50/808159550.db2.gz GQIRUUQKYNLOFJ-SJORKVTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCC(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001265759384 808178508 /nfs/dbraw/zinc/17/85/08/808178508.db2.gz UXRFPJBHQWJSIG-ZDUSSCGKSA-N 0 3 294.826 3.209 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)NCc1c(C)cccc1Cl ZINC001265759383 808178807 /nfs/dbraw/zinc/17/88/07/808178807.db2.gz UXRFPJBHQWJSIG-CYBMUJFWSA-N 0 3 294.826 3.209 20 30 CGEDHN C[C@@H](N[C@@H](C)Cc1ccc(C#N)cc1)c1nccs1 ZINC001172300177 808220474 /nfs/dbraw/zinc/22/04/74/808220474.db2.gz SFYYXJXIRSCMOZ-NWDGAFQWSA-N 0 3 271.389 3.297 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CC2(C1)CC(F)(F)C2 ZINC001172309210 808222725 /nfs/dbraw/zinc/22/27/25/808222725.db2.gz SCBATXVIYBEENO-LBPRGKRZSA-N 0 3 276.330 3.220 20 30 CGEDHN CCCCCCCN1CCC[C@H]1CNC(=O)C(C)(F)F ZINC001266443748 808265789 /nfs/dbraw/zinc/26/57/89/808265789.db2.gz RZTQPDQJFWYVOA-ZDUSSCGKSA-N 0 3 290.398 3.193 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1CC=C(C)C ZINC001266848945 808323737 /nfs/dbraw/zinc/32/37/37/808323737.db2.gz JAVWCAFEFGTEAZ-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN CCCCN(CCC#N)[C@H](C)CCOCC(C)C ZINC001172468838 808337064 /nfs/dbraw/zinc/33/70/64/808337064.db2.gz NYWMDJYIKWIJBO-OAHLLOKOSA-N 0 3 254.418 3.453 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(c2nccc3occc32)CC1 ZINC001172500380 808355434 /nfs/dbraw/zinc/35/54/34/808355434.db2.gz NBBIZWWRCXSHBY-CQSZACIVSA-N 0 3 298.390 3.032 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCC1CCCC1 ZINC001267283185 808405081 /nfs/dbraw/zinc/40/50/81/808405081.db2.gz JPWXSAFWQZEOTP-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN N#Cc1ccccc1CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172710225 808415351 /nfs/dbraw/zinc/41/53/51/808415351.db2.gz SIIHIKUSZHRQCX-KRWDZBQOSA-N 0 3 282.774 3.469 20 30 CGEDHN N#CC[C@@H]1CCCN([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722233 808419232 /nfs/dbraw/zinc/41/92/32/808419232.db2.gz RSBJDMJPXLLJQF-BLLLJJGKSA-N 0 3 274.795 3.433 20 30 CGEDHN C[C@@H](CC#N)NC1CCC(Oc2ccccc2)CC1 ZINC001173198887 808534399 /nfs/dbraw/zinc/53/43/99/808534399.db2.gz JBXOKMUCPXQWAP-HLIUYOAVSA-N 0 3 258.365 3.268 20 30 CGEDHN N#CCC1CCC(NCC(=O)c2ccccc2F)CC1 ZINC001173327942 808614503 /nfs/dbraw/zinc/61/45/03/808614503.db2.gz KYZXUUNZIQCCIX-UHFFFAOYSA-N 0 3 274.339 3.070 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(C)c(Cl)c1F ZINC001268741438 808619515 /nfs/dbraw/zinc/61/95/15/808619515.db2.gz ZPUWTNVXNBNTCD-NSHDSACASA-N 0 3 298.789 3.024 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCCC(C)C)C1 ZINC001269279718 808663019 /nfs/dbraw/zinc/66/30/19/808663019.db2.gz CFEVBGAPSLGFFI-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001270642787 808741634 /nfs/dbraw/zinc/74/16/34/808741634.db2.gz OGMNMVPZVBURLT-YJBOKZPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C(C)(C)C2CCC2)C1 ZINC001270982245 808757308 /nfs/dbraw/zinc/75/73/08/808757308.db2.gz GWUKXZMONRBBDI-GOSISDBHSA-N 0 3 292.467 3.217 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001271008108 808758849 /nfs/dbraw/zinc/75/88/49/808758849.db2.gz URNGZYYVVWGTHV-AEFFLSMTSA-N 0 3 294.483 3.463 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](CCC)C(C)C ZINC001275150654 808918022 /nfs/dbraw/zinc/91/80/22/808918022.db2.gz KYXHGNKBGQQEIM-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001276970882 809052035 /nfs/dbraw/zinc/05/20/35/809052035.db2.gz XCILWZGTEACBIQ-CTYIDZIISA-N 0 3 296.842 3.114 20 30 CGEDHN CCCCCCCCN1CC2(C[C@H]2C(=O)N2CC=CC2)C1 ZINC001277231567 809064446 /nfs/dbraw/zinc/06/44/46/809064446.db2.gz NZJUQTAMVJUSKO-INIZCTEOSA-N 0 3 290.451 3.067 20 30 CGEDHN Cc1cnccc1Nc1ccc(N2CCCCC2)c(C#N)c1 ZINC001174539442 809072247 /nfs/dbraw/zinc/07/22/47/809072247.db2.gz FLZANTZYAFLAAU-UHFFFAOYSA-N 0 3 292.386 3.418 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CC(C)C ZINC001279585787 809176033 /nfs/dbraw/zinc/17/60/33/809176033.db2.gz DDGHGUZGOHURNF-BRWVUGGUSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)CC)CCCCC1 ZINC001282598082 809254225 /nfs/dbraw/zinc/25/42/25/809254225.db2.gz MRMUFOFRTMTECE-GFCCVEGCSA-N 0 3 286.847 3.194 20 30 CGEDHN CC#CCN1CCC([C@@H](C)NC(=O)C(C)(C)CCC)CC1 ZINC001284693865 809315681 /nfs/dbraw/zinc/31/56/81/809315681.db2.gz IDMNZYIIXZSARP-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC001176373515 809681708 /nfs/dbraw/zinc/68/17/08/809681708.db2.gz QWMATGBYEXAXAT-CQSZACIVSA-N 0 3 286.202 3.370 20 30 CGEDHN C=C(C)CNCc1c(C)nn(-c2ccccc2C)c1C ZINC001178705515 809884629 /nfs/dbraw/zinc/88/46/29/809884629.db2.gz WRCDHGWBQCCDRC-UHFFFAOYSA-N 0 3 269.392 3.463 20 30 CGEDHN CCCCCCCCC(=O)N[C@H]1CN(C)CC1(C)C ZINC001178710275 809885008 /nfs/dbraw/zinc/88/50/08/809885008.db2.gz YODSCZHNWLHKAO-AWEZNQCLSA-N 0 3 268.445 3.193 20 30 CGEDHN C[C@@H](NCc1ccc2oc(=O)oc2c1)c1cccc(C#N)c1 ZINC001179584711 809931136 /nfs/dbraw/zinc/93/11/36/809931136.db2.gz WUDMDFBQJDCPJB-LLVKDONJSA-N 0 3 294.310 3.108 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001182176153 810097522 /nfs/dbraw/zinc/09/75/22/810097522.db2.gz XZVBILJGOZWPRO-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CC)CCCCCC)C1 ZINC001184834053 810221336 /nfs/dbraw/zinc/22/13/36/810221336.db2.gz OZIPMTSERMFXGX-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](CCC)C(C)C)[C@@H]2C1 ZINC001189293361 810556219 /nfs/dbraw/zinc/55/62/19/810556219.db2.gz QWKCOZCLGOGEBN-GVDBMIGSSA-N 0 3 292.467 3.168 20 30 CGEDHN CCCCCCCCNC(=O)N(CC)C1CCN(C)CC1 ZINC001191061595 810668389 /nfs/dbraw/zinc/66/83/89/810668389.db2.gz RXUITWVQSGUXDL-UHFFFAOYSA-N 0 3 297.487 3.473 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001191590895 810726319 /nfs/dbraw/zinc/72/63/19/810726319.db2.gz HXYJXGWGUOXQNX-SOUVJXGZSA-N 0 3 294.439 3.023 20 30 CGEDHN C#CCCCCCC(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001191721555 810732274 /nfs/dbraw/zinc/73/22/74/810732274.db2.gz YCLIUWXUDCXZDQ-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC001192944455 810831837 /nfs/dbraw/zinc/83/18/37/810831837.db2.gz TUDMICWNJHJIAW-LSDHHAIUSA-N 0 3 283.460 3.129 20 30 CGEDHN C#CC(C)(C)N(C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001193365934 810878621 /nfs/dbraw/zinc/87/86/21/810878621.db2.gz VBFZJFSTGCXRDM-KBPBESRZSA-N 0 3 263.331 3.379 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC001194108124 811016547 /nfs/dbraw/zinc/01/65/47/811016547.db2.gz PIKVSWCHQLISJE-HNNXBMFYSA-N 0 3 280.412 3.040 20 30 CGEDHN C#CCCN1CCCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001197263067 811408527 /nfs/dbraw/zinc/40/85/27/811408527.db2.gz VYZVMPNXHUWVQS-MRXNPFEDSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@](C)(CC)CCC)CC1 ZINC001197578446 811429841 /nfs/dbraw/zinc/42/98/41/811429841.db2.gz PBWUQTMNQQWANB-QGZVFWFLSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CC[C@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccncc1 ZINC001200563022 811711318 /nfs/dbraw/zinc/71/13/18/811711318.db2.gz SXAFYHQTGQNRGV-AWEZNQCLSA-N 0 3 294.358 3.071 20 30 CGEDHN C=CCOCc1ncn2c1CN(CCCCCC)CCC2 ZINC001201747133 811957238 /nfs/dbraw/zinc/95/72/38/811957238.db2.gz VFMSUMZRQMAYSR-UHFFFAOYSA-N 0 3 291.439 3.372 20 30 CGEDHN CCCCCCCN1CCCC[C@@H]1C(=O)NCCC ZINC001201787914 811964527 /nfs/dbraw/zinc/96/45/27/811964527.db2.gz PSWXPYBYFBTVNX-OAHLLOKOSA-N 0 3 268.445 3.338 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(C)ccc1C ZINC001202774137 812170741 /nfs/dbraw/zinc/17/07/41/812170741.db2.gz HTDGJBZUEQOMJV-HNNXBMFYSA-N 0 3 287.407 3.075 20 30 CGEDHN C=C1CCC(CNCc2cnn(-c3ccccc3)n2)CC1 ZINC001203603758 812405231 /nfs/dbraw/zinc/40/52/31/812405231.db2.gz VUTCEOAEZXRBDY-UHFFFAOYSA-N 0 3 282.391 3.103 20 30 CGEDHN CC1(C)CN(Cc2ccc(C#N)cc2)CCC1(F)F ZINC001203899977 812487054 /nfs/dbraw/zinc/48/70/54/812487054.db2.gz KUJWCFKOYXYXHX-UHFFFAOYSA-N 0 3 264.319 3.425 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(F)cc3Cl)CCC2S1 ZINC001204434739 812637892 /nfs/dbraw/zinc/63/78/92/812637892.db2.gz NAQXZMCPNPGZSO-ZDUSSCGKSA-N 0 3 297.782 3.253 20 30 CGEDHN SC1CCN(CCc2cccc(Cl)c2)CC1 ZINC001207425152 813562245 /nfs/dbraw/zinc/56/22/45/813562245.db2.gz DHIVCNGNIMAUEZ-UHFFFAOYSA-N 0 3 255.814 3.277 20 30 CGEDHN COc1ccc(CCN2CCc3ccc(C#N)cc3C2)cc1 ZINC001207472476 813571284 /nfs/dbraw/zinc/57/12/84/813571284.db2.gz PPRSINNXYMCVSI-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](CO)c2cc(F)ccc2F)C1 ZINC001207793628 813652026 /nfs/dbraw/zinc/65/20/26/813652026.db2.gz PHQAHSSOGGBAMO-FFSVYQOJSA-N 0 3 281.346 3.333 20 30 CGEDHN N#CC1(c2ccccc2)CCN(C[C@H]2CCCCO2)CC1 ZINC001207954377 813679793 /nfs/dbraw/zinc/67/97/93/813679793.db2.gz OPQBDDXKIQBZDK-QGZVFWFLSA-N 0 3 284.403 3.113 20 30 CGEDHN CC/C=C\CCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001208135994 813702394 /nfs/dbraw/zinc/70/23/94/813702394.db2.gz NMWOGGHDZLWPJY-ARJAWSKDSA-N 0 3 283.419 3.427 20 30 CGEDHN N#CCC1CN(CC2(c3ccccc3)CCCC2)C1 ZINC001208772213 813840679 /nfs/dbraw/zinc/84/06/79/813840679.db2.gz STJZISLDLHMLLZ-UHFFFAOYSA-N 0 3 254.377 3.344 20 30 CGEDHN CC1(CN2CCN(c3cc(C#N)ccn3)CC2)CCCCC1 ZINC001208900267 813889571 /nfs/dbraw/zinc/88/95/71/813889571.db2.gz QMUNJJALOHRAAK-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN C[C@@]1(C#N)CCN(CC2CCN(c3ccccc3)CC2)C1 ZINC001208911580 813896291 /nfs/dbraw/zinc/89/62/91/813896291.db2.gz YEEBMRLLWZHHRN-SFHVURJKSA-N 0 3 283.419 3.139 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001209038329 813921200 /nfs/dbraw/zinc/92/12/00/813921200.db2.gz LOHRYWXDLCUFCD-BZUAXINKSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCCCCN1CCN(c2noc3ccccc32)CC1 ZINC001209201917 813964279 /nfs/dbraw/zinc/96/42/79/813964279.db2.gz ZCVUODLWWLHPMS-UHFFFAOYSA-N 0 3 285.391 3.306 20 30 CGEDHN C=CCCCCN1CCN(Cc2c(F)cccc2F)CC1 ZINC001209206907 813968106 /nfs/dbraw/zinc/96/81/06/813968106.db2.gz CORROBMOARKVAD-UHFFFAOYSA-N 0 3 294.389 3.439 20 30 CGEDHN C#CCCCN1CCSC[C@@H]1c1ccc(OC)cc1 ZINC001209265889 813986911 /nfs/dbraw/zinc/98/69/11/813986911.db2.gz MYMBILDRJJJXIX-MRXNPFEDSA-N 0 3 275.417 3.199 20 30 CGEDHN C#CCCCN1CCSC[C@H]1c1ccc(OC)cc1 ZINC001209265888 813987150 /nfs/dbraw/zinc/98/71/50/813987150.db2.gz MYMBILDRJJJXIX-INIZCTEOSA-N 0 3 275.417 3.199 20 30 CGEDHN Cc1cccc2c(CN3CCC4SC(=O)C=C4C3)c[nH]c21 ZINC001209481814 814053464 /nfs/dbraw/zinc/05/34/64/814053464.db2.gz BVMUNYMEDQIJMP-OAHLLOKOSA-N 0 3 298.411 3.250 20 30 CGEDHN N#C[C@H]1CNC[C@@H]1OCc1ccccc1Oc1ccccc1 ZINC001217832065 815972775 /nfs/dbraw/zinc/97/27/75/815972775.db2.gz MLURVMZBRUMPIG-YJBOKZPZSA-N 0 3 294.354 3.107 20 30 CGEDHN C=CCCCCCCCCO[C@H]1CNC[C@@H]1C#N ZINC001217834629 815973550 /nfs/dbraw/zinc/97/35/50/815973550.db2.gz YRVNVSHGXQUZLB-GJZGRUSLSA-N 0 3 250.386 3.031 20 30 CGEDHN CCCCCCC[C@@H](CC)OC[C@H]1CNCCO1 ZINC001217890608 815991343 /nfs/dbraw/zinc/99/13/43/815991343.db2.gz JOQOLQJGOXKRKI-HUUCEWRRSA-N 0 3 257.418 3.131 20 30 CGEDHN N#Cc1ccc(-c2ccc(O[C@H]3CCNC[C@H]3F)cc2)cc1 ZINC001218064402 816083522 /nfs/dbraw/zinc/08/35/22/816083522.db2.gz KVLVHGSBKMFWCO-MSOLQXFVSA-N 0 3 296.345 3.304 20 30 CGEDHN C#C[C@H](Oc1ccc2c(n1)CCNC2)[C@@H](CC)CCCC ZINC001218291659 816154365 /nfs/dbraw/zinc/15/43/65/816154365.db2.gz JIWJYDHBZDUWKY-YOEHRIQHSA-N 0 3 286.419 3.324 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CNCc3ccccc32)cc1Cl ZINC001218485754 816240380 /nfs/dbraw/zinc/24/03/80/816240380.db2.gz MZOKIKYZABXGSU-MRXNPFEDSA-N 0 3 284.746 3.435 20 30 CGEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CC)C[C@H]32)CCCCC1 ZINC001222040120 816340734 /nfs/dbraw/zinc/34/07/34/816340734.db2.gz LDCIVHUTSKCDKS-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1ccccc1 ZINC001231123231 818037162 /nfs/dbraw/zinc/03/71/62/818037162.db2.gz ROXPXRCUIDWJMY-NVXWUHKLSA-N 0 3 286.419 3.247 20 30 CGEDHN C=CCOc1cccc(CN2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001231622071 818138802 /nfs/dbraw/zinc/13/88/02/818138802.db2.gz PNQULAMJLUBEBU-HIFRSBDPSA-N 0 3 279.330 3.338 20 30 CGEDHN C#Cc1cccc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001231657802 818149816 /nfs/dbraw/zinc/14/98/16/818149816.db2.gz MWZIQZHDXVKNCS-ZIAGYGMSSA-N 0 3 285.284 3.248 20 30 CGEDHN C#Cc1cccc(CN(C)Cc2ccc(OC)cc2)c1 ZINC001231658469 818150192 /nfs/dbraw/zinc/15/01/92/818150192.db2.gz XHVFWHNRIQAHCA-UHFFFAOYSA-N 0 3 265.356 3.309 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2C)C1 ZINC001231797773 818178890 /nfs/dbraw/zinc/17/88/90/818178890.db2.gz FZINIRQROMXOPO-INIZCTEOSA-N 0 3 291.398 3.297 20 30 CGEDHN CN(C)Cc1cc(F)cc(CN2CCC(C)(C#N)CC2)c1 ZINC001232146673 818264803 /nfs/dbraw/zinc/26/48/03/818264803.db2.gz XXWHKHQNACRSOJ-UHFFFAOYSA-N 0 3 289.398 3.013 20 30 CGEDHN N#Cc1ccnc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001232480370 818364973 /nfs/dbraw/zinc/36/49/73/818364973.db2.gz UFPQBASFMRRIQB-GASCZTMLSA-N 0 3 275.355 3.040 20 30 CGEDHN C=CCN(Cc1cccc(C#N)n1)C1CCCCC1 ZINC001232926779 818475127 /nfs/dbraw/zinc/47/51/27/818475127.db2.gz BJFOYMZHFABACE-UHFFFAOYSA-N 0 3 255.365 3.274 20 30 CGEDHN C#C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761142 818698957 /nfs/dbraw/zinc/69/89/57/818698957.db2.gz QIHVXCHVOSTRAN-LLVKDONJSA-N 0 3 299.292 3.136 20 30 CGEDHN C#C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761142 818698961 /nfs/dbraw/zinc/69/89/61/818698961.db2.gz QIHVXCHVOSTRAN-LLVKDONJSA-N 0 3 299.292 3.136 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234038383 818763539 /nfs/dbraw/zinc/76/35/39/818763539.db2.gz AVMNQQWWNQKZOV-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CC(C=C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243491 818813510 /nfs/dbraw/zinc/81/35/10/818813510.db2.gz IZTOJLWAQSAJHH-UHFFFAOYSA-N 0 3 265.328 3.015 20 30 CGEDHN CC#C[C@H](CC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234660758 818909237 /nfs/dbraw/zinc/90/92/37/818909237.db2.gz LLNOBAQWUSUQOJ-KRWDZBQOSA-N 0 3 286.419 3.009 20 30 CGEDHN CCN(Cc1ccncc1)Cc1ccccc1CC#N ZINC001235512387 819112624 /nfs/dbraw/zinc/11/26/24/819112624.db2.gz QIHLCLGUZTZEIK-UHFFFAOYSA-N 0 3 265.360 3.170 20 30 CGEDHN Cc1nc2cc(CN3CCC(S)CC3)ccc2s1 ZINC001235862728 819190097 /nfs/dbraw/zinc/19/00/97/819190097.db2.gz KUQKTKODJDPZTA-UHFFFAOYSA-N 0 3 278.446 3.499 20 30 CGEDHN C#CC1CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237145603 819678162 /nfs/dbraw/zinc/67/81/62/819678162.db2.gz OMJZDMQEDKSGIS-UHFFFAOYSA-N 0 3 283.293 3.256 20 30 CGEDHN C=CCN1CCN(Cc2ccc3cccccc2-3)CC1 ZINC001237191145 819694978 /nfs/dbraw/zinc/69/49/78/819694978.db2.gz QNKSOXFLVYFWEF-UHFFFAOYSA-N 0 3 266.388 3.095 20 30 CGEDHN SC1CCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC001237369648 819736664 /nfs/dbraw/zinc/73/66/64/819736664.db2.gz YTQBXMSNAHLRAN-UHFFFAOYSA-N 0 3 274.389 3.236 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCC[C@@]1(C)O ZINC001238081913 819927159 /nfs/dbraw/zinc/92/71/59/819927159.db2.gz COJJMPSNDFXMTD-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN N#CCOc1ccccc1-c1ccc2c(N)ccnc2c1 ZINC001243589290 823458380 /nfs/dbraw/zinc/45/83/80/823458380.db2.gz YPNKOZVMPADTOK-UHFFFAOYSA-N 0 3 275.311 3.386 20 30 CGEDHN CN(C)Cc1ccnc(/C=C/c2ccc(C#N)cc2)c1 ZINC001239283951 820252867 /nfs/dbraw/zinc/25/28/67/820252867.db2.gz IBLFYHOCMPAVFN-BQYQJAHWSA-N 0 3 263.344 3.185 20 30 CGEDHN CCCCCCCCCNC(=S)N1CCN[C@@H](CC)C1 ZINC001239437411 820306834 /nfs/dbraw/zinc/30/68/34/820306834.db2.gz WZUVVAIQWHOSHU-HNNXBMFYSA-N 0 3 299.528 3.295 20 30 CGEDHN N#Cc1cncc(-c2ccc(F)c(CN3CCCC3)c2)c1 ZINC001242275643 822934122 /nfs/dbraw/zinc/93/41/22/822934122.db2.gz RFIBKLQVUKGLPB-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCC(C)(C)c1ccccc1 ZINC001343703677 936510652 /nfs/dbraw/zinc/51/06/52/936510652.db2.gz CJJHMOXAJGUYFZ-HNNXBMFYSA-N 0 3 295.386 3.354 20 30 CGEDHN N#CC(C(=O)C12CC(C1)C2)c1nc2c(cccc2Cl)[nH]1 ZINC001344369183 936532177 /nfs/dbraw/zinc/53/21/77/936532177.db2.gz UKGPZYYUDSJUKB-OSPBMLLASA-N 0 3 285.734 3.193 20 30 CGEDHN C[C@@H]1CCC[C@]1(C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001345621815 936817637 /nfs/dbraw/zinc/81/76/37/936817637.db2.gz OTBZSSLSNSRIRL-OSQNNJELSA-N 0 3 278.302 3.362 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1c2ccccc2O[C@@H]1C ZINC001352054146 937033959 /nfs/dbraw/zinc/03/39/59/937033959.db2.gz JHVYHASZGXQSLT-LALPHHSUSA-N 0 3 258.365 3.427 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCCC)cc1C ZINC001353201161 937059856 /nfs/dbraw/zinc/05/98/56/937059856.db2.gz GBOKMNHWJYLUAS-OAHLLOKOSA-N 0 3 290.407 3.406 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1NCCC ZINC001353678219 937074454 /nfs/dbraw/zinc/07/44/54/937074454.db2.gz LUOXIQVNBXSCAF-ZDUSSCGKSA-N 0 3 275.396 3.131 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001481446542 926986099 /nfs/dbraw/zinc/98/60/99/926986099.db2.gz IBXQIWIFBBTXOD-FPTQRPOBSA-N 0 3 298.858 3.169 20 30 CGEDHN C#CCCN1CC([C@H](C)NC(=O)C(C)(C)CCCCC)C1 ZINC001485539424 927885594 /nfs/dbraw/zinc/88/55/94/927885594.db2.gz JSXVWANUFRWSIP-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCC1=CCN(CC=C(C)C)CC1 ZINC001486512236 928029881 /nfs/dbraw/zinc/02/98/81/928029881.db2.gz AMDXGIKXLNZZDK-UHFFFAOYSA-N 0 3 290.451 3.303 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2c(O)cccc2C1 ZINC001171204582 928200698 /nfs/dbraw/zinc/20/06/98/928200698.db2.gz ZIWNSMKDKPMUPQ-AWEZNQCLSA-N 0 3 292.382 3.253 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CCC)C(C)C)[C@H]1C ZINC001489293017 928323120 /nfs/dbraw/zinc/32/31/20/928323120.db2.gz GLPVFYZGJFSDBJ-OAGGEKHMSA-N 0 3 280.456 3.214 20 30 CGEDHN C#CCOc1ccc(CNCc2cccn2C(F)F)cc1 ZINC001560844400 937237851 /nfs/dbraw/zinc/23/78/51/937237851.db2.gz CGGFRWGAUCSEHT-UHFFFAOYSA-N 0 3 290.313 3.185 20 30 CGEDHN N#Cc1ccc([C@@H](O)CNCc2ccccc2Cl)cc1 ZINC000037876713 928695468 /nfs/dbraw/zinc/69/54/68/928695468.db2.gz QKAQGROJSRMVEC-INIZCTEOSA-N 0 3 286.762 3.035 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001491216052 928844883 /nfs/dbraw/zinc/84/48/83/928844883.db2.gz XJTIVXKIYKUMHU-SJLPKXTDSA-N 0 3 290.451 3.280 20 30 CGEDHN CCC1(CC)CCN(Cc2cc(C#N)ccn2)CC1 ZINC001459961483 937508980 /nfs/dbraw/zinc/50/89/80/937508980.db2.gz FLPPQUHSWNUYFP-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN C=C(CC)CN1CCC[C@@]1(CCC)C(=O)OCC ZINC001460041865 937510956 /nfs/dbraw/zinc/51/09/56/937510956.db2.gz WNUSBJAZRIAFJB-HNNXBMFYSA-N 0 3 253.386 3.150 20 30 CGEDHN C=CCC[C@H]1CCCN1Cc1c(C)nn(C)c1Cl ZINC001460890425 937551231 /nfs/dbraw/zinc/55/12/31/937551231.db2.gz MPTKGQOYYKYQLN-LBPRGKRZSA-N 0 3 267.804 3.313 20 30 CGEDHN CCCCCN1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC001140137390 931957506 /nfs/dbraw/zinc/95/75/06/931957506.db2.gz GOTAQXMBLWCQHN-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001157172712 931979422 /nfs/dbraw/zinc/97/94/22/931979422.db2.gz RXEXIZOKIVSHNJ-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN CN1CCc2cc(O[C@H](C#N)c3cccc(F)c3)ccc2C1 ZINC001228943782 932056713 /nfs/dbraw/zinc/05/67/13/932056713.db2.gz JSIWACHLEXXYMC-GOSISDBHSA-N 0 3 296.345 3.457 20 30 CGEDHN Cc1cccn2c(CNCc3ccc(C)c(C#N)c3)cnc12 ZINC001461747978 937595108 /nfs/dbraw/zinc/59/51/08/937595108.db2.gz IOHRBIYYJSRNDI-UHFFFAOYSA-N 0 3 290.370 3.113 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1sccc1C ZINC001230588689 932594475 /nfs/dbraw/zinc/59/44/75/932594475.db2.gz RKLUJWXMUFSBRH-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN CCCOC1(CNCc2cccc(C#N)n2)CCCCC1 ZINC001462196725 937623954 /nfs/dbraw/zinc/62/39/54/937623954.db2.gz BCDZUXRTLMJZKD-UHFFFAOYSA-N 0 3 287.407 3.172 20 30 CGEDHN C#C[C@@H](NCc1ccccc1OCC(F)F)C(C)C ZINC001462212168 937625610 /nfs/dbraw/zinc/62/56/10/937625610.db2.gz RQRQEUSTMDCRSZ-CYBMUJFWSA-N 0 3 267.319 3.078 20 30 CGEDHN N#Cc1cnccc1-c1cnccc1CN1CCCCC1 ZINC001244335729 932708420 /nfs/dbraw/zinc/70/84/20/932708420.db2.gz HHBJJMPFKIXHFB-UHFFFAOYSA-N 0 3 278.359 3.001 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CC(=C)C)[C@H]1C ZINC001332208718 932735197 /nfs/dbraw/zinc/73/51/97/932735197.db2.gz WWSSEPBJOMOSAV-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001492080741 932804753 /nfs/dbraw/zinc/80/47/53/932804753.db2.gz AHZBVAOIKOKIQO-STQMWFEESA-N 0 3 286.847 3.050 20 30 CGEDHN C#CCCN(CCOC)Cc1ccc(C(F)(F)F)cc1C ZINC001462461447 937642973 /nfs/dbraw/zinc/64/29/73/937642973.db2.gz XGRQVYQEGOVWCC-UHFFFAOYSA-N 0 3 299.336 3.486 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cccc(OC(C)(C)C)n2)C1 ZINC001307871423 933012246 /nfs/dbraw/zinc/01/22/46/933012246.db2.gz BOASTNRQPCYITN-HNNXBMFYSA-N 0 3 286.419 3.494 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)NCCCC2CCCCC2)C1 ZINC001307960631 933027690 /nfs/dbraw/zinc/02/76/90/933027690.db2.gz ATVDHWLJFJAZSX-QGZVFWFLSA-N 0 3 292.467 3.361 20 30 CGEDHN C=CC[C@H](NCc1cccc2nccn21)c1ccncc1 ZINC001308272470 933085810 /nfs/dbraw/zinc/08/58/10/933085810.db2.gz ASOPQKJQRGMYJZ-INIZCTEOSA-N 0 3 278.359 3.136 20 30 CGEDHN C=C(C)[C@@H](N[C@H]1CCCN(C)C1)c1ccc(F)c(F)c1 ZINC001308698208 933160455 /nfs/dbraw/zinc/16/04/55/933160455.db2.gz YTEOYXHGPLPRAD-XJKSGUPXSA-N 0 3 280.362 3.266 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC001465308384 937700063 /nfs/dbraw/zinc/70/00/63/937700063.db2.gz FUMCYXQHGQNZQW-CQSZACIVSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1CC(=C)C ZINC001317173997 933547363 /nfs/dbraw/zinc/54/73/63/933547363.db2.gz RGEXZVKQAWLWIS-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001317380999 933581381 /nfs/dbraw/zinc/58/13/81/933581381.db2.gz IDJRZZYXWNIVPI-DLBZAZTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCC(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001317549229 933617395 /nfs/dbraw/zinc/61/73/95/933617395.db2.gz NXOJLMLRHRICIP-UHFFFAOYSA-N 0 3 286.419 3.042 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)CC1CCCCCC1 ZINC001317547266 933617643 /nfs/dbraw/zinc/61/76/43/933617643.db2.gz YUWNYWKHSVEQDL-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1cccc(Cl)c1)C1CC1 ZINC001317560070 933620505 /nfs/dbraw/zinc/62/05/05/933620505.db2.gz UANJAHHZTUVGCC-UHFFFAOYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1oc(C)cc1C)c1ccccc1 ZINC001317715772 933636759 /nfs/dbraw/zinc/63/67/59/933636759.db2.gz SVUGBQCWSUTBOC-MRXNPFEDSA-N 0 3 298.386 3.143 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CC[C@H](C)F)C2)CCC1 ZINC001317981346 933672754 /nfs/dbraw/zinc/67/27/54/933672754.db2.gz IVHXTRKZLNQNJZ-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCCCC(C)C)C1 ZINC001318437488 933723451 /nfs/dbraw/zinc/72/34/51/933723451.db2.gz QRZOUSCWHWJPPC-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001320055282 933987542 /nfs/dbraw/zinc/98/75/42/933987542.db2.gz MMFQMQFJXSMYRW-INIZCTEOSA-N 0 3 288.435 3.065 20 30 CGEDHN C=C[C@H](COC)NCc1c(C)cc(Cl)cc1C ZINC001320311878 934030002 /nfs/dbraw/zinc/03/00/02/934030002.db2.gz GDCJXOYHGOSCFR-CYBMUJFWSA-N 0 3 253.773 3.247 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001320540354 934062813 /nfs/dbraw/zinc/06/28/13/934062813.db2.gz GPXXVXCHIXPXOS-QWHCGFSZSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001321801894 934212517 /nfs/dbraw/zinc/21/25/17/934212517.db2.gz YGIILJRGNXVZQI-NSHDSACASA-N 0 3 298.789 3.040 20 30 CGEDHN C=CCCC(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001323404712 934394575 /nfs/dbraw/zinc/39/45/75/934394575.db2.gz AKNGDKOFYYQCRX-ZDUSSCGKSA-N 0 3 290.382 3.091 20 30 CGEDHN C=CCO[C@H]1CCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC001323965735 934444160 /nfs/dbraw/zinc/44/41/60/934444160.db2.gz PQEAEVNDSZUFSA-XGACYXMMSA-N 0 3 279.330 3.255 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001324679734 934548483 /nfs/dbraw/zinc/54/84/83/934548483.db2.gz FMBIIPXKIQMDNY-SFFCAUCYSA-N 0 3 298.430 3.165 20 30 CGEDHN C=CCCCC(=O)NCc1ccc2c(c1)CN(CCC)C2 ZINC001327696265 935077929 /nfs/dbraw/zinc/07/79/29/935077929.db2.gz PBLMXSGHESPBIP-UHFFFAOYSA-N 0 3 286.419 3.385 20 30 CGEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001328998365 935178327 /nfs/dbraw/zinc/17/83/27/935178327.db2.gz SXTUBXSGWFXGCS-ZIAGYGMSSA-N 0 3 292.398 3.083 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(C)C(=C)C ZINC001329937101 935256095 /nfs/dbraw/zinc/25/60/95/935256095.db2.gz LFEYAIMCWUSTEB-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(CC)(CC)CC)C1 ZINC001330061179 935263840 /nfs/dbraw/zinc/26/38/40/935263840.db2.gz OIQRLPUCHZRZQL-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C(C)(C)C2CCCC2)CC1 ZINC001333354833 935529599 /nfs/dbraw/zinc/52/95/99/935529599.db2.gz QTNGOVUOWYJGEN-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN CC1(C#N)CCN(C[C@H]2CCCC3(CCC3)O2)CC1 ZINC001334662574 936108221 /nfs/dbraw/zinc/10/82/21/936108221.db2.gz QEGPQLYKFDVUST-CQSZACIVSA-N 0 3 262.397 3.104 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1O ZINC001473723202 937819428 /nfs/dbraw/zinc/81/94/28/937819428.db2.gz AZBPNHDEFQPLMH-NSHDSACASA-N 0 3 297.314 3.023 20 30 CGEDHN C=CCCC[C@@H](N[C@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC001473759854 937820942 /nfs/dbraw/zinc/82/09/42/937820942.db2.gz QFKVERXEVKDPMO-MSOLQXFVSA-N 0 3 298.430 3.461 20 30 CGEDHN C=CCCCCCCNCc1ccnc(OC)c1F ZINC001474142591 937841837 /nfs/dbraw/zinc/84/18/37/937841837.db2.gz WXPGFXFHTIDULL-UHFFFAOYSA-N 0 3 266.360 3.455 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1cccc(C)c1Br ZINC001474247240 937846230 /nfs/dbraw/zinc/84/62/30/937846230.db2.gz WAVNROIIRVHJJS-ZDUSSCGKSA-N 0 3 298.224 3.174 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCC#Cc1ccccc1 ZINC001474498222 937863417 /nfs/dbraw/zinc/86/34/17/937863417.db2.gz PUBJKDBVXOBHDO-LJQANCHMSA-N 0 3 272.351 3.187 20 30 CGEDHN C[C@@H](CNCC1(C#N)CCOCC1)c1cccc(Cl)c1 ZINC001474747518 937878956 /nfs/dbraw/zinc/87/89/56/937878956.db2.gz GKEVNHBJCWWZHW-ZDUSSCGKSA-N 0 3 292.810 3.353 20 30 CGEDHN CCCCCCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001478589934 937907613 /nfs/dbraw/zinc/90/76/13/937907613.db2.gz BGLZMFJUYVGIRS-INIZCTEOSA-N 0 3 295.471 3.273 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC)CCCC)[C@H]1C ZINC001479698500 937924119 /nfs/dbraw/zinc/92/41/19/937924119.db2.gz IYPPBZBUAOBKBE-PMPSAXMXSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001480092810 937932308 /nfs/dbraw/zinc/93/23/08/937932308.db2.gz FCMRMDBQMHULPJ-YESZJQIVSA-N 0 3 292.467 3.454 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001480742905 937942974 /nfs/dbraw/zinc/94/29/74/937942974.db2.gz SAKSSQSUOJHMPN-OAHLLOKOSA-N 0 3 292.467 3.005 20 30 CGEDHN CC#CCNCCN(C)C(=O)[C@@H](CC)CC1CCCCC1 ZINC001493716143 937950927 /nfs/dbraw/zinc/95/09/27/937950927.db2.gz BQLTWSYXLBGSLR-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CCC)CC(C)C ZINC001494685458 937955809 /nfs/dbraw/zinc/95/58/09/937955809.db2.gz MTKBSGYFYICBLH-IKGGRYGDSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001499073173 937972633 /nfs/dbraw/zinc/97/26/33/937972633.db2.gz VJQTVGKUWQSHTG-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(C)CCCCCC1 ZINC001505433698 937985651 /nfs/dbraw/zinc/98/56/51/937985651.db2.gz CQVPRTPKGSBFGX-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001506016487 937988576 /nfs/dbraw/zinc/98/85/76/937988576.db2.gz CIMLSYUEZRJNIZ-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1C[C@H]1CCC)C(C)C ZINC001507834367 937997128 /nfs/dbraw/zinc/99/71/28/937997128.db2.gz RZGLEHXOSANRSV-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN N#CC(C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)c1nc2ccccc2[nH]1 ZINC001523768184 938041247 /nfs/dbraw/zinc/04/12/47/938041247.db2.gz DESRZDRNTVLIOQ-BFTFTXABSA-N 0 3 291.354 3.031 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC1(C)CCCC1 ZINC001526586968 938056407 /nfs/dbraw/zinc/05/64/07/938056407.db2.gz IBAAPJDHNMLVDQ-SNVBAGLBSA-N 0 3 279.771 3.220 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1CCCC[C@H]1C ZINC001526593820 938056620 /nfs/dbraw/zinc/05/66/20/938056620.db2.gz JFTIYAOIFPMLBR-HZSPNIEDSA-N 0 3 273.380 3.296 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCCC(C)C ZINC001526593251 938056694 /nfs/dbraw/zinc/05/66/94/938056694.db2.gz CRVDOWYNHUWHLC-CYBMUJFWSA-N 0 3 261.369 3.296 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(F)cc1Cl ZINC001556466031 938203981 /nfs/dbraw/zinc/20/39/81/938203981.db2.gz HCPJPTPYVVXSLW-UHFFFAOYSA-N 0 3 298.789 3.059 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cccc(OC)c1Cl ZINC001559797090 938236002 /nfs/dbraw/zinc/23/60/02/938236002.db2.gz GKYRSBKRXARTDV-UHFFFAOYSA-N 0 3 296.842 3.288 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccn2)C12CCCCC2 ZINC001559811059 938236461 /nfs/dbraw/zinc/23/64/61/938236461.db2.gz CIAPFVUSOCRWLY-IAGOWNOFSA-N 0 3 299.418 3.171 20 30 CGEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC001560002976 938241705 /nfs/dbraw/zinc/24/17/05/938241705.db2.gz DFPAEZMAOOVUET-AWEZNQCLSA-N 0 3 282.428 3.140 20 30 CGEDHN C=CC(C)(C)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC001560614440 938265475 /nfs/dbraw/zinc/26/54/75/938265475.db2.gz KWFQDWUVQPYEFE-LLVKDONJSA-N 0 3 261.365 3.073 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001566925225 961056448 /nfs/dbraw/zinc/05/64/48/961056448.db2.gz CWROQAXNGZNZNU-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC(C)(C)CC)C1 ZINC001566962821 961076547 /nfs/dbraw/zinc/07/65/47/961076547.db2.gz MCNYORAKKQZXRQ-JKSUJKDBSA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC(C)(C)CC)C1 ZINC001566962820 961079514 /nfs/dbraw/zinc/07/95/14/961079514.db2.gz MCNYORAKKQZXRQ-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(CC)CCNC(=O)C[C@H](C)CC(C)(C)C ZINC001567345010 961295520 /nfs/dbraw/zinc/29/55/20/961295520.db2.gz DSAFHQWCANDIKJ-AWEZNQCLSA-N 0 3 268.445 3.073 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC=C ZINC001567863353 961440807 /nfs/dbraw/zinc/44/08/07/961440807.db2.gz ZZLBLPGJIMQSGQ-PMPSAXMXSA-N 0 3 290.451 3.229 20 30 CGEDHN C=CCC1(C(=O)N[C@H](C)CN(C)CC=C(C)C)CCC1 ZINC001569135841 961704467 /nfs/dbraw/zinc/70/44/67/961704467.db2.gz GBQCDGFJTQDSEC-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2=CCCC2)cc1 ZINC001570030457 961883301 /nfs/dbraw/zinc/88/33/01/961883301.db2.gz UQAHXRQHIBDYKS-HNNXBMFYSA-N 0 3 296.414 3.087 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H](C)CC ZINC001570025856 961889608 /nfs/dbraw/zinc/88/96/08/961889608.db2.gz OSBWLNAPCIQXOX-HNNXBMFYSA-N 0 3 288.435 3.357 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(C)CC(=C)C1 ZINC001570682901 962029597 /nfs/dbraw/zinc/02/95/97/962029597.db2.gz HQDGLBPQJBSKDA-UHFFFAOYSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001570743813 962078459 /nfs/dbraw/zinc/07/84/59/962078459.db2.gz HIGBODQCGNDGLM-CQSZACIVSA-N 0 3 288.435 3.220 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)c2ccoc2)CCCCC1 ZINC001570792005 962086386 /nfs/dbraw/zinc/08/63/86/962086386.db2.gz LZGMXBHWCCRAPV-UHFFFAOYSA-N 0 3 296.798 3.054 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@]12CCC[C@H]1N(CC=C)CC2 ZINC001571500730 962172469 /nfs/dbraw/zinc/17/24/69/962172469.db2.gz HMVGXRJNRCXFBT-SJLPKXTDSA-N 0 3 288.435 3.054 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)C(C)C ZINC001571615317 962190042 /nfs/dbraw/zinc/19/00/42/962190042.db2.gz NFJBCHWGQNOBIU-RDJZCZTQSA-N 0 3 280.456 3.023 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCC(CC)(CC)CC1 ZINC001574851227 962317196 /nfs/dbraw/zinc/31/71/96/962317196.db2.gz CFORPYNEEDPSAC-ZDUSSCGKSA-N 0 3 286.847 3.322 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC001574901577 962327847 /nfs/dbraw/zinc/32/78/47/962327847.db2.gz MPWJFOCUKQTGCW-WMLDXEAASA-N 0 3 299.418 3.151 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCCc2ccc(C)cc21 ZINC001574908195 962336134 /nfs/dbraw/zinc/33/61/34/962336134.db2.gz HFKUIAXZMUKBOM-IRXDYDNUSA-N 0 3 286.419 3.172 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ncccc1C ZINC001577430208 962542538 /nfs/dbraw/zinc/54/25/38/962542538.db2.gz UPUMQTDCSWFMMV-AWEZNQCLSA-N 0 3 277.412 3.406 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](OC)C[C@H]1C ZINC001577426798 962546198 /nfs/dbraw/zinc/54/61/98/962546198.db2.gz WXRWERDULGWNTI-OAGGEKHMSA-N 0 3 298.471 3.090 20 30 CGEDHN C=C1CCC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001584065009 962884928 /nfs/dbraw/zinc/88/49/28/962884928.db2.gz LBZMHGJVUNCMEP-QGZVFWFLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CC(C)(C)C[NH2+][C@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588488668 963274103 /nfs/dbraw/zinc/27/41/03/963274103.db2.gz LGQQBNVAFUUGMV-CQSZACIVSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CC(C)(C)C[NH2+][C@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588488668 963274106 /nfs/dbraw/zinc/27/41/06/963274106.db2.gz LGQQBNVAFUUGMV-CQSZACIVSA-N 0 3 285.395 3.120 20 30 CGEDHN C=CCN1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000620936009 349435416 /nfs/dbraw/zinc/43/54/16/349435416.db2.gz GSYRDZNAGZJBTL-CQSZACIVSA-N 0 3 256.393 3.088 20 30 CGEDHN C=CCN(Cc1cccc(Cl)c1)[C@H](C)COC ZINC000621317487 349495012 /nfs/dbraw/zinc/49/50/12/349495012.db2.gz GLBWKHAZPQCOGO-GFCCVEGCSA-N 0 3 253.773 3.363 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nc3cc(OC)ccc3n2C)C1 ZINC000651764814 398285048 /nfs/dbraw/zinc/28/50/48/398285048.db2.gz POHISGXMKZXBGF-UONOGXRCSA-N 0 3 299.418 3.416 20 30 CGEDHN C=CCn1cc(CNC2CCC(CC)(CC)CC2)nn1 ZINC000651835706 398296144 /nfs/dbraw/zinc/29/61/44/398296144.db2.gz WPZREJCGXONUDY-UHFFFAOYSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000651892337 398302081 /nfs/dbraw/zinc/30/20/81/398302081.db2.gz QLJVDWDGZBEYLB-BCUIYNNISA-N 0 3 265.372 3.438 20 30 CGEDHN C[C@@H](N[C@@H](CO)CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000338015412 214362783 /nfs/dbraw/zinc/36/27/83/214362783.db2.gz SJXQHTSNUJZHDT-MLGOLLRUSA-N 0 3 290.382 3.289 20 30 CGEDHN CCO[C@H]1CCN(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000590756876 346872673 /nfs/dbraw/zinc/87/26/73/346872673.db2.gz DLFHQFCWEWWNBX-PBHICJAKSA-N 0 3 272.392 3.114 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)[C@H]1SC ZINC000590957384 346890492 /nfs/dbraw/zinc/89/04/92/346890492.db2.gz RMEOJVCCVBAPCF-MSQAHXEGSA-N 0 3 290.432 3.118 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000590972620 346892401 /nfs/dbraw/zinc/89/24/01/346892401.db2.gz AVTPGIMGPJCQBP-GJZGRUSLSA-N 0 3 272.417 3.177 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](C2CCC2)C1 ZINC000591237986 346910232 /nfs/dbraw/zinc/91/02/32/346910232.db2.gz NQGIQADOOBNZIM-QZTJIDSGSA-N 0 3 296.414 3.408 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CC1(F)F ZINC000591255916 346911934 /nfs/dbraw/zinc/91/19/34/346911934.db2.gz GQDLYHCYMIORCR-CWSCBRNRSA-N 0 3 250.292 3.253 20 30 CGEDHN CCCc1ccc2nccc(N3CC[C@@](O)(CC#N)C3)c2c1 ZINC000591972352 346952284 /nfs/dbraw/zinc/95/22/84/346952284.db2.gz AXWXGIALEOPUMC-SFHVURJKSA-N 0 3 295.386 3.042 20 30 CGEDHN C=CC(C)(C)CCNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623592808 349843375 /nfs/dbraw/zinc/84/33/75/349843375.db2.gz CDSRADKVVGCXIQ-UHFFFAOYSA-N 0 3 288.370 3.098 20 30 CGEDHN C[C@@H](NCc1ccncc1C#N)C(C)(C)c1ccccc1 ZINC000592095399 346962413 /nfs/dbraw/zinc/96/24/13/346962413.db2.gz VPSKMLVFVVDMNZ-CQSZACIVSA-N 0 3 279.387 3.409 20 30 CGEDHN C=CCN(CCC[C@@H]1CCOC1)Cc1cccc(C#N)c1 ZINC000592065367 346959425 /nfs/dbraw/zinc/95/94/25/346959425.db2.gz SWYRPNOMBZIQHT-MRXNPFEDSA-N 0 3 284.403 3.363 20 30 CGEDHN CCC(CC)CN(CCC#N)CCC[C@H]1CCOC1 ZINC000592072159 346960437 /nfs/dbraw/zinc/96/04/37/346960437.db2.gz XUJVUQXMLRLSSG-INIZCTEOSA-N 0 3 266.429 3.455 20 30 CGEDHN CC(C)O[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000592134069 346965635 /nfs/dbraw/zinc/96/56/35/346965635.db2.gz IUPMOEFYBKHRFI-XJKSGUPXSA-N 0 3 258.365 3.119 20 30 CGEDHN C[C@@H]1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CO1 ZINC000592399622 346984776 /nfs/dbraw/zinc/98/47/76/346984776.db2.gz OTKXMVKRWADACH-ISTRZQFTSA-N 0 3 270.376 3.093 20 30 CGEDHN CC(C)C[C@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000592500502 346993556 /nfs/dbraw/zinc/99/35/56/346993556.db2.gz ZSORGJWRMAMHBX-MRXNPFEDSA-N 0 3 297.406 3.002 20 30 CGEDHN C=CCCCCNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623899941 349910110 /nfs/dbraw/zinc/91/01/10/349910110.db2.gz YHBULDYNHUYQJA-MRXNPFEDSA-N 0 3 293.455 3.049 20 30 CGEDHN COc1cc(C)cc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000127286932 187293710 /nfs/dbraw/zinc/29/37/10/187293710.db2.gz VSQAOEPDCQGVPV-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN N#CCC1(CNCc2ccc(C(F)(F)F)cc2)CC1 ZINC000088249895 260229749 /nfs/dbraw/zinc/22/97/49/260229749.db2.gz CKQXZRXRMNBJMR-UHFFFAOYSA-N 0 3 268.282 3.489 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)n1C ZINC000041501615 344971589 /nfs/dbraw/zinc/97/15/89/344971589.db2.gz SDGMSOCRLGTVLN-LLVKDONJSA-N 0 3 295.367 3.433 20 30 CGEDHN N#Cc1cccc(CNCc2ccc3c(c2)OCCCO3)c1 ZINC000127323366 187296457 /nfs/dbraw/zinc/29/64/57/187296457.db2.gz HJQIMPPLXVHITD-UHFFFAOYSA-N 0 3 294.354 3.009 20 30 CGEDHN Cc1noc(C)c1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000339646589 282381096 /nfs/dbraw/zinc/38/10/96/282381096.db2.gz OWDZCROSEGPINC-UHFFFAOYSA-N 0 3 295.386 3.370 20 30 CGEDHN C=CCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401161 345320788 /nfs/dbraw/zinc/32/07/88/345320788.db2.gz MKQMLOGTXJABNI-OAHLLOKOSA-N 0 3 265.784 3.271 20 30 CGEDHN CCC1(CC)CCN(Cc2ccnc(C#N)c2)CC1 ZINC000068766793 345361828 /nfs/dbraw/zinc/36/18/28/345361828.db2.gz HSMLPYUVKHCJLL-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN C[C@@H]1c2ccsc2CCN1CCCSCC#N ZINC000074981047 345489102 /nfs/dbraw/zinc/48/91/02/345489102.db2.gz ITVSUTLGZWAUEQ-LLVKDONJSA-N 0 3 266.435 3.314 20 30 CGEDHN N#Cc1cccc(OCCNC2(c3ccccc3)CC2)c1 ZINC000077379252 345570989 /nfs/dbraw/zinc/57/09/89/345570989.db2.gz BDVSXVSBBYZBCD-UHFFFAOYSA-N 0 3 278.355 3.216 20 30 CGEDHN N#Cc1ccc(OCCNCc2cccc(Cl)c2)cc1 ZINC000078650418 345617372 /nfs/dbraw/zinc/61/73/72/345617372.db2.gz CPKZHDNKZOPMJN-UHFFFAOYSA-N 0 3 286.762 3.380 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000080974160 345693544 /nfs/dbraw/zinc/69/35/44/345693544.db2.gz YULJIZGPYWYBFV-CJNGLKHVSA-N 0 3 280.375 3.222 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CC)C2CCCC2)CC1 ZINC000106341015 345930772 /nfs/dbraw/zinc/93/07/72/345930772.db2.gz VNDMLKJLHKUIDV-UHFFFAOYSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@](C)(O)[C@H](C)CC ZINC000112379971 345954727 /nfs/dbraw/zinc/95/47/27/345954727.db2.gz SMYNAQZHGUMQRJ-RHSMWYFYSA-N 0 3 277.408 3.138 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NCc1cccs1 ZINC000150884092 346134286 /nfs/dbraw/zinc/13/42/86/346134286.db2.gz BDJZEAMXVAPTKU-UHFFFAOYSA-N 0 3 280.437 3.043 20 30 CGEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000165485526 346185052 /nfs/dbraw/zinc/18/50/52/346185052.db2.gz HNWCNVMNQCZCRN-BETUJISGSA-N 0 3 260.406 3.193 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000174581260 346244247 /nfs/dbraw/zinc/24/42/47/346244247.db2.gz BNTZGNBBHGFCTO-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN N#Cc1csc(CNCCOC2CCCCCC2)c1 ZINC000177703470 346251143 /nfs/dbraw/zinc/25/11/43/346251143.db2.gz YCKPDQJUGISQHG-UHFFFAOYSA-N 0 3 278.421 3.449 20 30 CGEDHN CC(=O)Nc1cccc2c1CCN(CC(C)(C)CCC#N)C2 ZINC000179532655 346253296 /nfs/dbraw/zinc/25/32/96/346253296.db2.gz CJVNOAZDYXMMMV-UHFFFAOYSA-N 0 3 299.418 3.333 20 30 CGEDHN C=CCCCCCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000193346821 346269426 /nfs/dbraw/zinc/26/94/26/346269426.db2.gz SNMIVTFPOUBXDB-MRXNPFEDSA-N 0 3 290.407 3.107 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@@H](CC)CC#N)C12CCCC2 ZINC000224461298 346302579 /nfs/dbraw/zinc/30/25/79/346302579.db2.gz QTCWUWQGQUABTR-MELADBBJSA-N 0 3 250.386 3.006 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2CCC3(CCCC3)O2)c1 ZINC000229274332 346316832 /nfs/dbraw/zinc/31/68/32/346316832.db2.gz QAIDOEBASUVDDQ-MRXNPFEDSA-N 0 3 270.376 3.140 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000593589695 347092455 /nfs/dbraw/zinc/09/24/55/347092455.db2.gz UQTXRHFXZUFXHT-GXTWGEPZSA-N 0 3 260.337 3.429 20 30 CGEDHN C=CCNC(=O)CN[C@H](CCC)c1ccc(Cl)cc1 ZINC000342214074 346504518 /nfs/dbraw/zinc/50/45/18/346504518.db2.gz YIKJYDRACYTVNQ-CQSZACIVSA-N 0 3 280.799 3.073 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCC2)C12CCC2 ZINC000593653768 347099921 /nfs/dbraw/zinc/09/99/21/347099921.db2.gz WQPPVCFQXDBIJS-ZIAGYGMSSA-N 0 3 262.397 3.008 20 30 CGEDHN N#CC[C@@H]1CCCN(CCSc2ccccc2)C1 ZINC000397792501 346584827 /nfs/dbraw/zinc/58/48/27/346584827.db2.gz ZUHLRTVRCNPSFX-AWEZNQCLSA-N 0 3 260.406 3.404 20 30 CGEDHN C#C[C@H](NCc1ccc(SC)c(OC)c1)C(C)C ZINC000491704116 346629585 /nfs/dbraw/zinc/62/95/85/346629585.db2.gz HEULYNQURTXNCE-ZDUSSCGKSA-N 0 3 263.406 3.165 20 30 CGEDHN C#C[C@@H](N[C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(F)cc1 ZINC000491710147 346629832 /nfs/dbraw/zinc/62/98/32/346629832.db2.gz SUBGNHQTOANXPM-PSOLEGPJSA-N 0 3 287.378 3.293 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)o2)CCc2ccc(F)cc21 ZINC000593695334 347104992 /nfs/dbraw/zinc/10/49/92/347104992.db2.gz KZXZIGFODZYNOF-GFCCVEGCSA-N 0 3 284.334 3.452 20 30 CGEDHN C[C@@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000593715700 347106566 /nfs/dbraw/zinc/10/65/66/347106566.db2.gz BAEQFQWDEUUCSY-RYUDHWBXSA-N 0 3 276.355 3.163 20 30 CGEDHN CC(C)OC(=O)C[C@H](NCc1ccc(C#N)s1)C(C)C ZINC000594045148 347144324 /nfs/dbraw/zinc/14/43/24/347144324.db2.gz XAPXGJPZIZNJEG-AWEZNQCLSA-N 0 3 294.420 3.076 20 30 CGEDHN C[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594435287 347174689 /nfs/dbraw/zinc/17/46/89/347174689.db2.gz AOINXFCMXXKDIQ-GOEBONIOSA-N 0 3 299.418 3.328 20 30 CGEDHN CCC1(CC)CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594457179 347176266 /nfs/dbraw/zinc/17/62/66/347176266.db2.gz VILGPYGYGCECOZ-OAHLLOKOSA-N 0 3 293.455 3.217 20 30 CGEDHN CC(C)OCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594501411 347180166 /nfs/dbraw/zinc/18/01/66/347180166.db2.gz VMBUAZBZIWNFFL-UHFFFAOYSA-N 0 3 260.381 3.002 20 30 CGEDHN N#CC1(c2ccc(CN[C@@H](CO)c3ccccc3)cc2)CC1 ZINC000594921223 347230135 /nfs/dbraw/zinc/23/01/35/347230135.db2.gz GPHHOVZUSZVJIO-SFHVURJKSA-N 0 3 292.382 3.065 20 30 CGEDHN COC[C@@H](C)Oc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000594943317 347237048 /nfs/dbraw/zinc/23/70/48/347237048.db2.gz BUYUDCRBDQAORZ-CQSZACIVSA-N 0 3 290.407 3.130 20 30 CGEDHN C=CCCSCCNCc1cnc(C(C)(C)C)nc1 ZINC000594960543 347241335 /nfs/dbraw/zinc/24/13/35/347241335.db2.gz SFICDDCTIATLQF-UHFFFAOYSA-N 0 3 279.453 3.173 20 30 CGEDHN C=CCCSCCNCc1ccccc1OCC ZINC000594960166 347241352 /nfs/dbraw/zinc/24/13/52/347241352.db2.gz LSYQTXUWSDHTRR-UHFFFAOYSA-N 0 3 265.422 3.484 20 30 CGEDHN C=CCCSCCNCc1ccc(C)cc1OC ZINC000594960466 347241600 /nfs/dbraw/zinc/24/16/00/347241600.db2.gz QSTPHQPUOXISFR-UHFFFAOYSA-N 0 3 265.422 3.403 20 30 CGEDHN CCn1cc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594960957 347242165 /nfs/dbraw/zinc/24/21/65/347242165.db2.gz UXOIXRWUUYSVOP-CQSZACIVSA-N 0 3 294.402 3.309 20 30 CGEDHN Cc1cc(CN[C@H]2CCc3ccc(O)cc32)ccc1C#N ZINC000594978887 347247680 /nfs/dbraw/zinc/24/76/80/347247680.db2.gz CQBVWLULHDKASD-SFHVURJKSA-N 0 3 278.355 3.349 20 30 CGEDHN CNCc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 ZINC000595254834 347285785 /nfs/dbraw/zinc/28/57/85/347285785.db2.gz YTFITNAHROLJCJ-UHFFFAOYSA-N 0 3 285.391 3.209 20 30 CGEDHN CO[C@@H](CN(C)Cc1cccc(C#N)c1)C1CCCC1 ZINC000595291102 347287483 /nfs/dbraw/zinc/28/74/83/347287483.db2.gz YFURJPRGRRQZJN-KRWDZBQOSA-N 0 3 272.392 3.195 20 30 CGEDHN C=CC(C)(C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595040548 347266476 /nfs/dbraw/zinc/26/64/76/347266476.db2.gz GPULYRFHWZWDHY-LLVKDONJSA-N 0 3 278.352 3.466 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C1CCC1 ZINC000595413998 347300247 /nfs/dbraw/zinc/30/02/47/347300247.db2.gz ZIJUGKZQTAYALF-LRDDRELGSA-N 0 3 258.365 3.024 20 30 CGEDHN COC1CC(CCN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000595051989 347270036 /nfs/dbraw/zinc/27/00/36/347270036.db2.gz ZXHQDLLIPONGQF-DCBWTQNWSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cncc(C)c1 ZINC000595060560 347274306 /nfs/dbraw/zinc/27/43/06/347274306.db2.gz VOJMRFIPWOTUHX-ZDUSSCGKSA-N 0 3 250.411 3.350 20 30 CGEDHN C[C@@H](COc1c(F)cccc1F)N[C@H]1CC[C@H](C#N)C1 ZINC000595071885 347276744 /nfs/dbraw/zinc/27/67/44/347276744.db2.gz CEJDQGLEJRAXPF-SRVKXCTJSA-N 0 3 280.318 3.014 20 30 CGEDHN CC[C@H](NCc1c(C2CC2)cnn1C)c1ccc(C#N)cc1 ZINC000595075404 347278005 /nfs/dbraw/zinc/27/80/05/347278005.db2.gz BBOWNNGMUXNFFO-KRWDZBQOSA-N 0 3 294.402 3.410 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3ccc(O)cc32)C1 ZINC000595087789 347280371 /nfs/dbraw/zinc/28/03/71/347280371.db2.gz DOMXCPVRCCQVFV-FFSVYQOJSA-N 0 3 256.349 3.051 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)C1CCCC1 ZINC000595093359 347281794 /nfs/dbraw/zinc/28/17/94/347281794.db2.gz AGOXYODETUQZQJ-CXAGYDPISA-N 0 3 272.392 3.414 20 30 CGEDHN N#CC[C@H]1CCCN(CCOc2cccc(Cl)c2)C1 ZINC000595609453 347325311 /nfs/dbraw/zinc/32/53/11/347325311.db2.gz JXXXQJJCABKKTD-CYBMUJFWSA-N 0 3 278.783 3.344 20 30 CGEDHN Cc1ccccc1OCCCN1CCC[C@@H](CC#N)C1 ZINC000595615814 347327850 /nfs/dbraw/zinc/32/78/50/347327850.db2.gz UGUFYUTZQVTNJT-INIZCTEOSA-N 0 3 272.392 3.390 20 30 CGEDHN COc1ccc([C@H](C)CN2CCC[C@H](CC#N)C2)cc1 ZINC000595623948 347329351 /nfs/dbraw/zinc/32/93/51/347329351.db2.gz ZKUSGADEHPZLRZ-HUUCEWRRSA-N 0 3 272.392 3.424 20 30 CGEDHN CC(C)COCCNC(C)(C)c1cccc(C#N)c1 ZINC000595632899 347330041 /nfs/dbraw/zinc/33/00/41/347330041.db2.gz JGMZHBZYRAHYHY-UHFFFAOYSA-N 0 3 260.381 3.056 20 30 CGEDHN C[C@H]1COC2(CCCC2)CN1CCCC(C)(C)C#N ZINC000595815284 347359538 /nfs/dbraw/zinc/35/95/38/347359538.db2.gz NQQUCFQAKHJAHH-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCC2(C#N)CCC2)C12CCC2 ZINC000595777608 347354052 /nfs/dbraw/zinc/35/40/52/347354052.db2.gz IAXSXXHMOPYQEA-KGLIPLIRSA-N 0 3 276.424 3.396 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000595778954 347355334 /nfs/dbraw/zinc/35/53/34/347355334.db2.gz WJTWDEPGYQHCFK-HZPDHXFCSA-N 0 3 299.418 3.169 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595788028 347355851 /nfs/dbraw/zinc/35/58/51/347355851.db2.gz MFLLKVWAXPMAFC-MSOLQXFVSA-N 0 3 284.403 3.339 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595788030 347356096 /nfs/dbraw/zinc/35/60/96/347356096.db2.gz MFLLKVWAXPMAFC-ROUUACIJSA-N 0 3 284.403 3.339 20 30 CGEDHN COc1cc(C#N)ccc1OC[C@@H]1CCCCN1C(C)C ZINC000596240935 347402892 /nfs/dbraw/zinc/40/28/92/347402892.db2.gz HWHDUXGJFKACBB-HNNXBMFYSA-N 0 3 288.391 3.209 20 30 CGEDHN CN(c1ccccc1)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000595825760 347360824 /nfs/dbraw/zinc/36/08/24/347360824.db2.gz GITHRZPCVPFPTA-LJQANCHMSA-N 0 3 291.398 3.269 20 30 CGEDHN N#CCc1ccc(CN2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595821103 347360969 /nfs/dbraw/zinc/36/09/69/347360969.db2.gz ADBXBYHMVLTBBJ-UHFFFAOYSA-N 0 3 296.414 3.144 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCOc1ccc(C#N)cc1OC ZINC000595845948 347367249 /nfs/dbraw/zinc/36/72/49/347367249.db2.gz XSGMVAMDEHJMMO-IYBDPMFKSA-N 0 3 298.386 3.129 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)ccc1OC ZINC000595845910 347367515 /nfs/dbraw/zinc/36/75/15/347367515.db2.gz WGKGULBYMBPTMM-IYBDPMFKSA-N 0 3 268.360 3.250 20 30 CGEDHN COCC1(NCc2ccc(C#N)c(OC)c2)CCCCC1 ZINC000596057945 347378292 /nfs/dbraw/zinc/37/82/92/347378292.db2.gz ZBGRDXASWZTWQL-UHFFFAOYSA-N 0 3 288.391 3.006 20 30 CGEDHN CC(C)(CNCc1nc(C#N)cs1)CC(F)(F)F ZINC000596067092 347378692 /nfs/dbraw/zinc/37/86/92/347378692.db2.gz LKWHKBGIHDZOFR-UHFFFAOYSA-N 0 3 277.315 3.083 20 30 CGEDHN CN(CCOC(C)(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597022948 347528312 /nfs/dbraw/zinc/52/83/12/347528312.db2.gz XIQVULOQYAKXKT-UHFFFAOYSA-N 0 3 286.419 3.489 20 30 CGEDHN N#CC1(c2ccc(CN3CCCSCC3)cc2)CC1 ZINC000597081766 347533615 /nfs/dbraw/zinc/53/36/15/347533615.db2.gz RRWNLMMVHWMCCG-UHFFFAOYSA-N 0 3 272.417 3.181 20 30 CGEDHN N#Cc1csc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000597224349 347556732 /nfs/dbraw/zinc/55/67/32/347556732.db2.gz GULABVBNWNKCOL-ZBFHGGJFSA-N 0 3 290.432 3.401 20 30 CGEDHN CN(Cc1ccc(C#N)o1)C[C@@H]1CCc2ccccc21 ZINC000597238287 347560951 /nfs/dbraw/zinc/56/09/51/347560951.db2.gz GFNCNWKJXMYWDL-AWEZNQCLSA-N 0 3 266.344 3.313 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000597186517 347547119 /nfs/dbraw/zinc/54/71/19/347547119.db2.gz IDEFYPRUAGZSCH-AWEZNQCLSA-N 0 3 270.376 3.355 20 30 CGEDHN CC(C#N)C(=O)NCC1CC(C)(C)CC(C)(C)C1 ZINC000598141304 347633203 /nfs/dbraw/zinc/63/32/03/347633203.db2.gz IXOXNSWNPOJRGL-NSHDSACASA-N 0 3 250.386 3.115 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000598208533 347635230 /nfs/dbraw/zinc/63/52/30/347635230.db2.gz OBRXFWISNJBIOJ-XLAORIBOSA-N 0 3 296.414 3.311 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000597945407 347607685 /nfs/dbraw/zinc/60/76/85/347607685.db2.gz ROIOETUVVABPDZ-MLGOLLRUSA-N 0 3 290.794 3.423 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(C(F)F)cc1 ZINC000598724090 347682915 /nfs/dbraw/zinc/68/29/15/347682915.db2.gz MDCCZNLOZKDXRC-CYBMUJFWSA-N 0 3 282.334 3.015 20 30 CGEDHN Cc1oc2ccccc2c1CNC[C@@H](O)CC(C)(C)C#N ZINC000598725800 347683523 /nfs/dbraw/zinc/68/35/23/347683523.db2.gz ZYWMWDMPFSXNFU-ZDUSSCGKSA-N 0 3 286.375 3.132 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN(Cc1cccc(F)c1)C1CC1 ZINC000598586786 347666909 /nfs/dbraw/zinc/66/69/09/347666909.db2.gz ZTABQEVLDGJJRV-INIZCTEOSA-N 0 3 290.382 3.091 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1ccsc1 ZINC000598588599 347667844 /nfs/dbraw/zinc/66/78/44/347667844.db2.gz JQNIMVJMMUIGRD-KBPBESRZSA-N 0 3 278.421 3.186 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000598587756 347667878 /nfs/dbraw/zinc/66/78/78/347667878.db2.gz VMIRJWHGUIICRL-CVEARBPZSA-N 0 3 290.382 3.263 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000598598001 347669160 /nfs/dbraw/zinc/66/91/60/347669160.db2.gz LVPHVGFGRXVWFK-HZPDHXFCSA-N 0 3 286.419 3.370 20 30 CGEDHN CSc1ccccc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598620817 347672480 /nfs/dbraw/zinc/67/24/80/347672480.db2.gz SIPMLSLOKFOULX-CHWSQXEVSA-N 0 3 292.448 3.360 20 30 CGEDHN Cc1ccc(CN(C)[C@H](CO)c2ccccc2)cc1C#N ZINC000599283930 347732014 /nfs/dbraw/zinc/73/20/14/347732014.db2.gz HYBLBPNNMYJVAI-GOSISDBHSA-N 0 3 280.371 3.032 20 30 CGEDHN Cc1ccc(CN(C)[C@@H](CCO)c2ccccc2)cc1C#N ZINC000599300823 347733586 /nfs/dbraw/zinc/73/35/86/347733586.db2.gz XFRUNOLYLXQFAU-IBGZPJMESA-N 0 3 294.398 3.422 20 30 CGEDHN CCN(CCc1nccs1)Cc1ccc(C)c(C#N)c1 ZINC000599336776 347736795 /nfs/dbraw/zinc/73/67/95/347736795.db2.gz QQNMJQFIUUKVJC-UHFFFAOYSA-N 0 3 285.416 3.388 20 30 CGEDHN Cc1c2ccccc2oc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599358348 347739782 /nfs/dbraw/zinc/73/97/82/347739782.db2.gz GVGXCISQHSLGMN-ZIAGYGMSSA-N 0 3 298.386 3.447 20 30 CGEDHN CCO[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599440365 347745640 /nfs/dbraw/zinc/74/56/40/347745640.db2.gz QLUVMNDFUJMGTH-GUYCJALGSA-N 0 3 272.392 3.366 20 30 CGEDHN N#Cc1ccccc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552538 347753831 /nfs/dbraw/zinc/75/38/31/347753831.db2.gz KBGXZLQRPIRHGH-CABCVRRESA-N 0 3 258.390 3.028 20 30 CGEDHN COc1ccc([C@H](C)N[C@H](C)CCC#N)c(OC)c1 ZINC000599597422 347757698 /nfs/dbraw/zinc/75/76/98/347757698.db2.gz ZNXMCHHPQKVQIJ-NEPJUHHUSA-N 0 3 262.353 3.047 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000600681568 347828920 /nfs/dbraw/zinc/82/89/20/347828920.db2.gz SWVDTOHOYZQWRC-HNNXBMFYSA-N 0 3 290.451 3.280 20 30 CGEDHN COc1ccc2c(c1)CC[C@H]2NCc1cccc(C#N)c1 ZINC000601263744 347886591 /nfs/dbraw/zinc/88/65/91/347886591.db2.gz OJBJRESQPXUYIU-GOSISDBHSA-N 0 3 278.355 3.344 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H]1C(F)(F)F ZINC000601307189 347890567 /nfs/dbraw/zinc/89/05/67/347890567.db2.gz WXAIRJVYIUWCFH-HZSPNIEDSA-N 0 3 280.293 3.476 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(=O)OCC)no1 ZINC000601310741 347891311 /nfs/dbraw/zinc/89/13/11/347891311.db2.gz NXTHDHYCAHJKEM-TZMCWYRMSA-N 0 3 292.379 3.076 20 30 CGEDHN C[C@@H](NC[C@@H]1CC(C)(C)CO1)c1cccc(C#N)c1 ZINC000601940426 347926929 /nfs/dbraw/zinc/92/69/29/347926929.db2.gz MZZJVTGEAWYBBW-DOMZBBRYSA-N 0 3 258.365 3.024 20 30 CGEDHN N#Cc1c(F)cccc1CNCCC[C@@H]1CCCCO1 ZINC000602017127 347933283 /nfs/dbraw/zinc/93/32/83/347933283.db2.gz NGHFTTGMGDPTPU-AWEZNQCLSA-N 0 3 276.355 3.136 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000602428137 347956159 /nfs/dbraw/zinc/95/61/59/347956159.db2.gz GEJZTXYQPFWUND-TWVNLXSWSA-N 0 3 297.446 3.257 20 30 CGEDHN Cc1ccccc1CN1CCN(C[C@H](C)CCC#N)CC1 ZINC000602434831 347957109 /nfs/dbraw/zinc/95/71/09/347957109.db2.gz QPVCKECOYKHYFC-MRXNPFEDSA-N 0 3 285.435 3.053 20 30 CGEDHN Cc1cccc(C)c1NC(=O)CN(C)C[C@H](C)CCC#N ZINC000602434786 347957124 /nfs/dbraw/zinc/95/71/24/347957124.db2.gz ROLJLMURTPLCQC-CYBMUJFWSA-N 0 3 287.407 3.114 20 30 CGEDHN Cc1cccc(NC(=O)CN(C)C[C@@H](C)CCC#N)c1C ZINC000602435785 347957178 /nfs/dbraw/zinc/95/71/78/347957178.db2.gz UXZBCNASCDNPCM-ZDUSSCGKSA-N 0 3 287.407 3.114 20 30 CGEDHN C[C@H](CCC#N)CN(C)Cc1ccc(F)cc1F ZINC000602436851 347957306 /nfs/dbraw/zinc/95/73/06/347957306.db2.gz RQQDJJBBTSQPCI-LLVKDONJSA-N 0 3 252.308 3.336 20 30 CGEDHN CCCC[C@H]1CCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602535050 347977413 /nfs/dbraw/zinc/97/74/13/347977413.db2.gz MFHQCKWUOXOBGG-BBRMVZONSA-N 0 3 257.381 3.402 20 30 CGEDHN Cc1cnc(C(C)(C)NC[C@H](C)CCC#N)s1 ZINC000602574125 347985982 /nfs/dbraw/zinc/98/59/82/347985982.db2.gz XJFQNRXYSGEMNC-SNVBAGLBSA-N 0 3 251.399 3.216 20 30 CGEDHN CC(C)[C@@H](NC[C@@H](C)CCC#N)c1nc(C2CC2)no1 ZINC000602593540 347990275 /nfs/dbraw/zinc/99/02/75/347990275.db2.gz JBCUAAJCIVRYKM-WCQYABFASA-N 0 3 276.384 3.174 20 30 CGEDHN C[C@H](CCC#N)CNCc1nc2ccccc2n1C1CC1 ZINC000602616069 347994794 /nfs/dbraw/zinc/99/47/94/347994794.db2.gz KROQYCYGSVAPGA-CYBMUJFWSA-N 0 3 282.391 3.401 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)c(Cl)c1)CC(C)C ZINC000602659538 348002847 /nfs/dbraw/zinc/00/28/47/348002847.db2.gz SECFJDLCZRSZMV-CQSZACIVSA-N 0 3 280.799 3.362 20 30 CGEDHN C[C@H](NCc1cccc(C#N)n1)[C@@H]1CCC[C@H](C)C1 ZINC000602685523 348008977 /nfs/dbraw/zinc/00/89/77/348008977.db2.gz IJZJAEFPGNTZOF-MELADBBJSA-N 0 3 257.381 3.258 20 30 CGEDHN CCC[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000602691377 348009941 /nfs/dbraw/zinc/00/99/41/348009941.db2.gz DVGAQUOUJYRLBE-XJKSGUPXSA-N 0 3 260.381 3.366 20 30 CGEDHN Cc1cc(C)cc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602710332 348015135 /nfs/dbraw/zinc/01/51/35/348015135.db2.gz SHCGPBKMOGSTIG-INIZCTEOSA-N 0 3 286.419 3.492 20 30 CGEDHN CC1(C)CCC[C@H]1CCNCc1cccc(C#N)n1 ZINC000602720980 348017144 /nfs/dbraw/zinc/01/71/44/348017144.db2.gz NQACRYRNNPOEGZ-ZDUSSCGKSA-N 0 3 257.381 3.259 20 30 CGEDHN CN(Cc1cccc(C#N)n1)C[C@@H]1CCc2ccccc21 ZINC000602726089 348018812 /nfs/dbraw/zinc/01/88/12/348018812.db2.gz ZHYHYKFKCKXEKU-HNNXBMFYSA-N 0 3 277.371 3.115 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@@H]1C ZINC000602769095 348026106 /nfs/dbraw/zinc/02/61/06/348026106.db2.gz MRSXVFOUCZJTFG-UKRRQHHQSA-N 0 3 290.363 3.008 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@H]1C ZINC000602769096 348026620 /nfs/dbraw/zinc/02/66/20/348026620.db2.gz MRSXVFOUCZJTFG-ZFWWWQNUSA-N 0 3 290.363 3.008 20 30 CGEDHN C[C@H](CCC#N)CNCc1coc(-c2ccccc2)n1 ZINC000602547225 347980054 /nfs/dbraw/zinc/98/00/54/347980054.db2.gz MGLJOMQPIKYKCZ-CYBMUJFWSA-N 0 3 269.348 3.371 20 30 CGEDHN C[C@H]1C[C@H](c2cccnc2)N(CC2(CC#N)CC2)C1 ZINC000602807042 348032286 /nfs/dbraw/zinc/03/22/86/348032286.db2.gz HJXOYDFZOFKVDU-DZGCQCFKSA-N 0 3 255.365 3.158 20 30 CGEDHN N#CCC1(CN2CC[C@H](COc3ccccc3)C2)CC1 ZINC000602806643 348032435 /nfs/dbraw/zinc/03/24/35/348032435.db2.gz NSYYPRCMLMGILT-HNNXBMFYSA-N 0 3 270.376 3.081 20 30 CGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000602868230 348038043 /nfs/dbraw/zinc/03/80/43/348038043.db2.gz UWMCHXXCBVPJGU-AWEZNQCLSA-N 0 3 292.423 3.267 20 30 CGEDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000602868232 348038200 /nfs/dbraw/zinc/03/82/00/348038200.db2.gz UWMCHXXCBVPJGU-CQSZACIVSA-N 0 3 292.423 3.267 20 30 CGEDHN N#CC1(CCN2CCC[C@@H]2c2cn[nH]c2)CCCCC1 ZINC000602880982 348040163 /nfs/dbraw/zinc/04/01/63/348040163.db2.gz PJPOJTDEZYSISW-OAHLLOKOSA-N 0 3 272.396 3.411 20 30 CGEDHN C[C@@H](CCC#N)N1CCC2(CCSCC2)CC1 ZINC000602951494 348046963 /nfs/dbraw/zinc/04/69/63/348046963.db2.gz PUIYFENIOMKKOK-ZDUSSCGKSA-N 0 3 252.427 3.288 20 30 CGEDHN CN(CCCCC1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982565 348052614 /nfs/dbraw/zinc/05/26/14/348052614.db2.gz UVWXAUHHDASDLT-HZPDHXFCSA-N 0 3 264.413 3.207 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1[C@@H](C)CC ZINC000606434332 348182332 /nfs/dbraw/zinc/18/23/32/348182332.db2.gz UTTCQNAJRJNJKE-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN CC#CCN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000607728175 348258463 /nfs/dbraw/zinc/25/84/63/348258463.db2.gz NGTRLBNAYCYJQX-DLBZAZTESA-N 0 3 257.377 3.109 20 30 CGEDHN COc1ccc(C(C)(C)CNC[C@@H](C#N)CCC#N)cc1 ZINC000609574500 348347398 /nfs/dbraw/zinc/34/73/98/348347398.db2.gz FMZDXUVOPGZPJZ-CQSZACIVSA-N 0 3 285.391 3.006 20 30 CGEDHN N#Cc1c(CN2CCC[C@@H]2C2CC2)cn2ccccc12 ZINC000609133669 348336855 /nfs/dbraw/zinc/33/68/55/348336855.db2.gz QQORXRUJXGLUPH-MRXNPFEDSA-N 0 3 265.360 3.185 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2ccnc2)C1 ZINC000609823364 348354334 /nfs/dbraw/zinc/35/43/34/348354334.db2.gz ADUIIVMRIZFAAX-RHSMWYFYSA-N 0 3 280.375 3.153 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000609920555 348357731 /nfs/dbraw/zinc/35/77/31/348357731.db2.gz QESFFOYJZQJCBI-GFCCVEGCSA-N 0 3 258.365 3.102 20 30 CGEDHN C[C@H](CN(C)Cc1ccnc(C#N)c1)c1ccccc1 ZINC000610992497 348415340 /nfs/dbraw/zinc/41/53/40/348415340.db2.gz KLGSXMGDIXPWCF-CQSZACIVSA-N 0 3 265.360 3.189 20 30 CGEDHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ccnc(C#N)c1 ZINC000610994981 348417131 /nfs/dbraw/zinc/41/71/31/348417131.db2.gz QFLWJMWCWZTDKM-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H](NCCN1Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000611438228 348452108 /nfs/dbraw/zinc/45/21/08/348452108.db2.gz NYFSGZIISXFOQJ-HNNXBMFYSA-N 0 3 291.398 3.225 20 30 CGEDHN CC(C)(C#N)CCN1CCCO[C@H](c2ccccc2)C1 ZINC000611462612 348453471 /nfs/dbraw/zinc/45/34/71/348453471.db2.gz XPUVALVGVUFZDR-INIZCTEOSA-N 0 3 272.392 3.390 20 30 CGEDHN CC(C)(C)OCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611469523 348454189 /nfs/dbraw/zinc/45/41/89/348454189.db2.gz LMOBLULOVJCKRB-INIZCTEOSA-N 0 3 272.392 3.340 20 30 CGEDHN N#Cc1cc(CN[C@H](c2cccs2)C2CC2)ccn1 ZINC000612456418 348521349 /nfs/dbraw/zinc/52/13/49/348521349.db2.gz JUFHVXBHOYNZPQ-HNNXBMFYSA-N 0 3 269.373 3.256 20 30 CGEDHN Cc1ccc([C@H](NC2CCN(CC#N)CC2)C2CCC2)o1 ZINC000612571058 348528886 /nfs/dbraw/zinc/52/88/86/348528886.db2.gz NOVIPLYPHLCIGD-QGZVFWFLSA-N 0 3 287.407 3.007 20 30 CGEDHN COc1ccc(C[C@H](C)CNCC(C)(C)C#N)cc1F ZINC000612879944 348552919 /nfs/dbraw/zinc/55/29/19/348552919.db2.gz XHXVCGRQLMTPCT-LBPRGKRZSA-N 0 3 278.371 3.152 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@@H](CCO)c1ccccc1 ZINC000614406893 348674707 /nfs/dbraw/zinc/67/47/07/348674707.db2.gz FKHKTVSMZBHCCN-SFHVURJKSA-N 0 3 280.371 3.080 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cn1)C1CCC(F)(F)CC1 ZINC000616092119 348785886 /nfs/dbraw/zinc/78/58/86/348785886.db2.gz HUGZONPYWDQFKW-NSHDSACASA-N 0 3 279.334 3.257 20 30 CGEDHN CC(C)[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CS1 ZINC000617099132 348918056 /nfs/dbraw/zinc/91/80/56/348918056.db2.gz XEKSMUWZUUITTD-DZGCQCFKSA-N 0 3 278.396 3.317 20 30 CGEDHN CC(C)C1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000619431152 349249547 /nfs/dbraw/zinc/24/95/47/349249547.db2.gz QDVGPPOTPAVZDY-UHFFFAOYSA-N 0 3 294.402 3.047 20 30 CGEDHN CC(C)C1CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000619431133 349249592 /nfs/dbraw/zinc/24/95/92/349249592.db2.gz KHFWYXNNACMJJK-UHFFFAOYSA-N 0 3 272.392 3.457 20 30 CGEDHN C=CCC[C@H](NCCN(C)CC(F)F)c1ccco1 ZINC000624328036 350027782 /nfs/dbraw/zinc/02/77/82/350027782.db2.gz OCGHRBFVEDQODM-LBPRGKRZSA-N 0 3 272.339 3.073 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000625701011 350198717 /nfs/dbraw/zinc/19/87/17/350198717.db2.gz NWAJZOQJICSXJT-OAHLLOKOSA-N 0 3 267.376 3.270 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1cc(C)ccc1C ZINC000626019405 350249392 /nfs/dbraw/zinc/24/93/92/350249392.db2.gz XYRHKPLLTPWQMX-HOCLYGCPSA-N 0 3 274.408 3.035 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC)c(OC2CC2)c1 ZINC000628234621 350456192 /nfs/dbraw/zinc/45/61/92/350456192.db2.gz HKDDMYAEPKFDAQ-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN C=CC(C)(C)CCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000628314374 350495488 /nfs/dbraw/zinc/49/54/88/350495488.db2.gz XMSQQBACFYCHRD-MRXNPFEDSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CC(C)(C)CCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000628314373 350495505 /nfs/dbraw/zinc/49/55/05/350495505.db2.gz XMSQQBACFYCHRD-INIZCTEOSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc3cccc(C)n23)C1 ZINC000628405990 350529336 /nfs/dbraw/zinc/52/93/36/350529336.db2.gz ZIYBPFIVVJLWPO-AWEZNQCLSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CCN(C(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000271394182 191113706 /nfs/dbraw/zinc/11/37/06/191113706.db2.gz LQUCHBFVWLNXDM-UHFFFAOYSA-N 0 3 284.403 3.073 20 30 CGEDHN C=CCOCCCNCc1cc(OC)c(OC)cc1Cl ZINC000631174299 350978886 /nfs/dbraw/zinc/97/88/86/350978886.db2.gz LIAOAOJOXLYWNV-UHFFFAOYSA-N 0 3 299.798 3.040 20 30 CGEDHN C=C(C)COCCNCc1ccc(CC(F)(F)F)cc1 ZINC000631091638 350951248 /nfs/dbraw/zinc/95/12/48/350951248.db2.gz REKULADEVGRNLG-UHFFFAOYSA-N 0 3 287.325 3.474 20 30 CGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633375737 351289239 /nfs/dbraw/zinc/28/92/39/351289239.db2.gz IXIBYWRLBFLGCT-QGZVFWFLSA-N 0 3 290.407 3.298 20 30 CGEDHN C=C1CC(C)(C(=O)Nc2ccc(CN(C)C)cc2F)C1 ZINC000633417687 351300531 /nfs/dbraw/zinc/30/05/31/351300531.db2.gz ICMPLLRLLVHYIP-UHFFFAOYSA-N 0 3 276.355 3.182 20 30 CGEDHN C=CCC1(NCc2nc3cc(F)ccc3o2)CCOCC1 ZINC000634986241 351617681 /nfs/dbraw/zinc/61/76/81/351617681.db2.gz PXOSVLCWQWKMQA-UHFFFAOYSA-N 0 3 290.338 3.182 20 30 CGEDHN COCC[C@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000365267597 234093208 /nfs/dbraw/zinc/09/32/08/234093208.db2.gz XZAVBSHBAFVPLM-CQSZACIVSA-N 0 3 290.382 3.336 20 30 CGEDHN Cc1nc2c(s1)[C@H](NCc1cccc(C#N)c1)CCC2 ZINC000151388918 187960468 /nfs/dbraw/zinc/96/04/68/187960468.db2.gz PHPHFDKSZIHZLK-CQSZACIVSA-N 0 3 283.400 3.490 20 30 CGEDHN CCCN(Cc1c(C)n[nH]c1C)Cc1ccc(C#N)cc1 ZINC000119278379 370661976 /nfs/dbraw/zinc/66/19/76/370661976.db2.gz ZHKLGBWORPAABX-UHFFFAOYSA-N 0 3 282.391 3.310 20 30 CGEDHN C[C@H](NC[C@](C)(O)c1ccsc1)c1ccc(C#N)cc1 ZINC000271836402 191357470 /nfs/dbraw/zinc/35/74/70/191357470.db2.gz FVLQHKJLRQHPIF-LRDDRELGSA-N 0 3 286.400 3.178 20 30 CGEDHN C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000271868256 191378986 /nfs/dbraw/zinc/37/89/86/191378986.db2.gz MASPPYRFEOVDBC-FZKQIMNGSA-N 0 3 298.361 3.256 20 30 CGEDHN CCCN(CCC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514786942 535327083 /nfs/dbraw/zinc/32/70/83/535327083.db2.gz OEMMLWSIPTXDDY-KRWDZBQOSA-N 0 3 299.418 3.176 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000110058718 283206596 /nfs/dbraw/zinc/20/65/96/283206596.db2.gz ZZXYLPUGNHDDPA-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000106478146 138354735 /nfs/dbraw/zinc/35/47/35/138354735.db2.gz UUVRXSCCQLJPBI-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN CC(C)CSCCNCc1cc(C#N)cs1 ZINC000126330367 138385569 /nfs/dbraw/zinc/38/55/69/138385569.db2.gz QHTCXNMMCWDZSH-UHFFFAOYSA-N 0 3 254.424 3.099 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)CC1CCCC1 ZINC000425534910 236258061 /nfs/dbraw/zinc/25/80/61/236258061.db2.gz MNAMYOKJYZZLMN-RDTXWAMCSA-N 0 3 286.419 3.492 20 30 CGEDHN Cc1ccc([C@@H](CNc2cc(C)nc(C#N)c2)N(C)C)cc1 ZINC000341923617 216154315 /nfs/dbraw/zinc/15/43/15/216154315.db2.gz AUUVBHATDPWAPQ-GOSISDBHSA-N 0 3 294.402 3.285 20 30 CGEDHN C=CCN1CCC(N[C@H](C)c2ccc(CC)o2)CC1 ZINC000177914317 189079202 /nfs/dbraw/zinc/07/92/02/189079202.db2.gz XUHLZNZXDGSMAT-CYBMUJFWSA-N 0 3 262.397 3.143 20 30 CGEDHN COCc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000179187530 189175850 /nfs/dbraw/zinc/17/58/50/189175850.db2.gz BNCGHNNGAPCGPI-UHFFFAOYSA-N 0 3 280.371 3.337 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179591792 189205855 /nfs/dbraw/zinc/20/58/55/189205855.db2.gz MOCBVZYQZWTVAL-AAEUAGOBSA-N 0 3 285.334 3.266 20 30 CGEDHN C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179866628 189224514 /nfs/dbraw/zinc/22/45/14/189224514.db2.gz DQMIJDRLLJDDCU-CQSZACIVSA-N 0 3 294.402 3.191 20 30 CGEDHN N#Cc1ccccc1-c1ccc(CN[C@H]2CCOC2)cc1 ZINC000180335773 189250516 /nfs/dbraw/zinc/25/05/16/189250516.db2.gz ARGCDLOJTTZEJZ-KRWDZBQOSA-N 0 3 278.355 3.104 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3cc[nH]c32)s1 ZINC000342329840 216312503 /nfs/dbraw/zinc/31/25/03/216312503.db2.gz JINANOBPXCKUBL-UHFFFAOYSA-N 0 3 267.357 3.391 20 30 CGEDHN CC[C@H](C)[C@@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000183062881 189344955 /nfs/dbraw/zinc/34/49/55/189344955.db2.gz ZVGMCHZPZWXTMZ-GXSJLCMTSA-N 0 3 293.436 3.199 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CSc3ccccc32)o1 ZINC000449362311 239349648 /nfs/dbraw/zinc/34/96/48/239349648.db2.gz JWXAHRCGXDSCPW-NSHDSACASA-N 0 3 270.357 3.130 20 30 CGEDHN CC1(C)CCCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000119883231 370718765 /nfs/dbraw/zinc/71/87/65/370718765.db2.gz PTDBIZIOIHYSGF-HNNXBMFYSA-N 0 3 285.391 3.055 20 30 CGEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)CCC(C)(C)C#N ZINC000119999555 370729974 /nfs/dbraw/zinc/72/99/74/370729974.db2.gz KBWICVHXMGKLNA-XJKSGUPXSA-N 0 3 272.392 3.250 20 30 CGEDHN C=C(C)CN(CC)C(=O)Nc1ccccc1CCN(C)C ZINC000275738300 193117891 /nfs/dbraw/zinc/11/78/91/193117891.db2.gz YIALFNBQBGNSJC-UHFFFAOYSA-N 0 3 289.423 3.221 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOCc1ccccc1)CC2 ZINC000353274366 220003485 /nfs/dbraw/zinc/00/34/85/220003485.db2.gz OWUDEYIQJKLQJK-IBGZPJMESA-N 0 3 292.382 3.352 20 30 CGEDHN CCCC[C@@H](CCC)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000482653512 243236502 /nfs/dbraw/zinc/23/65/02/243236502.db2.gz CTUDMBNLAAIQFU-HZPDHXFCSA-N 0 3 287.407 3.033 20 30 CGEDHN CC[C@H]1CC[C@H](C)N1Cc1cc(C#N)ccc1OC ZINC000124605781 370926122 /nfs/dbraw/zinc/92/61/22/370926122.db2.gz BLJFYIMPKRNVGC-WFASDCNBSA-N 0 3 258.365 3.330 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccsc1 ZINC000122866396 370907453 /nfs/dbraw/zinc/90/74/53/370907453.db2.gz OAZHTLPNASVQOT-NSHDSACASA-N 0 3 281.340 3.125 20 30 CGEDHN CC(C)[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCCC1 ZINC000330617123 203041932 /nfs/dbraw/zinc/04/19/32/203041932.db2.gz WECVFTXBVBYZKW-INIZCTEOSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@H]1CCC[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000026466441 368860013 /nfs/dbraw/zinc/86/00/13/368860013.db2.gz ABGYQYIXZZINBK-BBRMVZONSA-N 0 3 285.391 3.007 20 30 CGEDHN CN(CCOc1ccccc1C#N)Cc1cccc(F)c1 ZINC000034674374 368976818 /nfs/dbraw/zinc/97/68/18/368976818.db2.gz AITZOVHJGRSNMB-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3c2cccc3O)cc1 ZINC000037748413 369103666 /nfs/dbraw/zinc/10/36/66/369103666.db2.gz LJSZEGQLQRUBBH-INIZCTEOSA-N 0 3 264.328 3.041 20 30 CGEDHN N#CC(C(=O)c1ccsc1)c1nc2ccccc2[nH]1 ZINC000041496317 369188185 /nfs/dbraw/zinc/18/81/85/369188185.db2.gz FSMRYLCYLDHFDJ-JTQLQIEISA-N 0 3 267.313 3.114 20 30 CGEDHN N#Cc1cccnc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000046228788 369291693 /nfs/dbraw/zinc/29/16/93/369291693.db2.gz VBRSSAQABQUZBK-KRWDZBQOSA-N 0 3 292.386 3.202 20 30 CGEDHN CN(Cc1cn2ccccc2c1C#N)C(C1CC1)C1CC1 ZINC000050988987 369446104 /nfs/dbraw/zinc/44/61/04/369446104.db2.gz XWEYXAIYDIHSRV-UHFFFAOYSA-N 0 3 279.387 3.431 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062016377 369613333 /nfs/dbraw/zinc/61/33/33/369613333.db2.gz JZSYZMVNCNAKPT-UWVGGRQHSA-N 0 3 250.729 3.019 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000076736156 369941851 /nfs/dbraw/zinc/94/18/51/369941851.db2.gz PXBLNJXXAGRJSH-QGZVFWFLSA-N 0 3 286.419 3.078 20 30 CGEDHN COc1ccc(CNCc2sccc2C)cc1C#N ZINC000090714650 370064861 /nfs/dbraw/zinc/06/48/61/370064861.db2.gz PWWYUTMAZQFHDE-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000090883553 370070381 /nfs/dbraw/zinc/07/03/81/370070381.db2.gz LQELLNRVHYJANF-CQSZACIVSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CCCCN(C)Cc1ncccc1C(F)(F)F ZINC000093533546 370139361 /nfs/dbraw/zinc/13/93/61/370139361.db2.gz VLIAOTACABINEJ-UHFFFAOYSA-N 0 3 258.287 3.498 20 30 CGEDHN C[C@@H](c1cccc(O)c1)N(C)Cc1cccc(C#N)c1 ZINC000109785126 370365994 /nfs/dbraw/zinc/36/59/94/370365994.db2.gz ZBQNFERMWGIIEF-ZDUSSCGKSA-N 0 3 266.344 3.457 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)CCc1ccccc1 ZINC000130475379 371036534 /nfs/dbraw/zinc/03/65/34/371036534.db2.gz IDSXBTJACXNCAA-UHFFFAOYSA-N 0 3 280.371 3.241 20 30 CGEDHN C[C@@H](C[C@@H](O)c1cccs1)NCc1ccc(C#N)s1 ZINC000131134621 371086039 /nfs/dbraw/zinc/08/60/39/371086039.db2.gz JREMSVPVMTVZAL-GXFFZTMASA-N 0 3 292.429 3.283 20 30 CGEDHN C=CCc1cc(CN(CC)C2CC2)cc(OC)c1O ZINC000133304240 371242019 /nfs/dbraw/zinc/24/20/19/371242019.db2.gz WDOXGQLGDAXMFW-UHFFFAOYSA-N 0 3 261.365 3.114 20 30 CGEDHN Cc1ccc(NCc2ccc(C#N)o2)c(OCCN(C)C)c1 ZINC000133946185 371291348 /nfs/dbraw/zinc/29/13/48/371291348.db2.gz LXKGCTPOCUXKLH-UHFFFAOYSA-N 0 3 299.374 3.012 20 30 CGEDHN CC(C)N(CCOC1CCC1)Cc1ccc(C#N)cc1 ZINC000286762979 371549482 /nfs/dbraw/zinc/54/94/82/371549482.db2.gz HEAUQXGDWWKABZ-UHFFFAOYSA-N 0 3 272.392 3.338 20 30 CGEDHN CN1CC[C@@H](NCC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC000289355222 371755613 /nfs/dbraw/zinc/75/56/13/371755613.db2.gz HVOCYIRTXSAZAO-WOJBJXKFSA-N 0 3 290.410 3.073 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337320630 214003110 /nfs/dbraw/zinc/00/31/10/214003110.db2.gz ZDFDTACYRFXSPY-KBPBESRZSA-N 0 3 280.318 3.198 20 30 CGEDHN CC[C@@H](C)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000337323432 214007502 /nfs/dbraw/zinc/00/75/02/214007502.db2.gz SHEKRVYGJZXFKT-HUUCEWRRSA-N 0 3 271.408 3.035 20 30 CGEDHN CN(Cc1ccc(F)cc1C#N)C[C@H]1CC=CCC1 ZINC000344074754 217039323 /nfs/dbraw/zinc/03/93/23/217039323.db2.gz UQCAILSEVBZQNW-ZDUSSCGKSA-N 0 3 258.340 3.485 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(C)c2)n1 ZINC000155403657 371926461 /nfs/dbraw/zinc/92/64/61/371926461.db2.gz AIQHSVTXUMWAFB-GFCCVEGCSA-N 0 3 271.345 3.006 20 30 CGEDHN CC#CCCN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000156765635 371994245 /nfs/dbraw/zinc/99/42/45/371994245.db2.gz ULEUYWWYLJVGMZ-ZDUSSCGKSA-N 0 3 262.422 3.428 20 30 CGEDHN C[C@H](O)CN(Cc1cc(F)ccc1C#N)C1CCCCC1 ZINC000159590943 372159643 /nfs/dbraw/zinc/15/96/43/372159643.db2.gz HAOIHJQRCFGMHU-ZDUSSCGKSA-N 0 3 290.382 3.213 20 30 CGEDHN CN(CCN1CCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000428462466 372212928 /nfs/dbraw/zinc/21/29/28/372212928.db2.gz UGEVGEBEWYFRLS-UHFFFAOYSA-N 0 3 291.398 3.053 20 30 CGEDHN CCOCC(C)(C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000293273394 372342760 /nfs/dbraw/zinc/34/27/60/372342760.db2.gz NRFKEUSBDTVYBR-UHFFFAOYSA-N 0 3 299.336 3.462 20 30 CGEDHN N#CC(C(=O)c1ccnc2ccccc21)c1ccccn1 ZINC000161936118 372362393 /nfs/dbraw/zinc/36/23/93/372362393.db2.gz HAMLRUUTXRWRHZ-CQSZACIVSA-N 0 3 273.295 3.120 20 30 CGEDHN N#CCc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000429008352 372303555 /nfs/dbraw/zinc/30/35/55/372303555.db2.gz NJVIVALAISEHFC-SFHVURJKSA-N 0 3 284.403 3.001 20 30 CGEDHN N#CCC1(CNCc2cccc(OC(F)(F)F)c2)CC1 ZINC000430043737 372383512 /nfs/dbraw/zinc/38/35/12/372383512.db2.gz GNNLLDSNAMJQGU-UHFFFAOYSA-N 0 3 284.281 3.369 20 30 CGEDHN N#CCC1(CNCc2ccc(OCC3CC3)cc2)CC1 ZINC000430073921 372383607 /nfs/dbraw/zinc/38/36/07/372383607.db2.gz ZRAHRDBSRXJCAA-UHFFFAOYSA-N 0 3 270.376 3.259 20 30 CGEDHN N#CCC1(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000430749643 372396014 /nfs/dbraw/zinc/39/60/14/372396014.db2.gz KVXMXCYSEUPUQG-WBVHZDCISA-N 0 3 284.403 3.438 20 30 CGEDHN C=CCOc1ccc(CNCc2cnccc2C)cc1 ZINC000162682714 372409967 /nfs/dbraw/zinc/40/99/67/372409967.db2.gz KIEYGOPYBODTKF-UHFFFAOYSA-N 0 3 268.360 3.245 20 30 CGEDHN CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000163266179 372457457 /nfs/dbraw/zinc/45/74/57/372457457.db2.gz FAMJNLUTZMVRBS-AAEUAGOBSA-N 0 3 291.420 3.117 20 30 CGEDHN C[C@@H](NC[C@@H]1CSCCS1)c1cccc(C#N)c1 ZINC000164608049 372526804 /nfs/dbraw/zinc/52/68/04/372526804.db2.gz TYZGBJGNXPVCIY-BXUZGUMPSA-N 0 3 278.446 3.057 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000432072491 372533241 /nfs/dbraw/zinc/53/32/41/372533241.db2.gz SLTJIKNSCVVFRJ-GJZGRUSLSA-N 0 3 295.471 3.151 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000433119616 372582307 /nfs/dbraw/zinc/58/23/07/372582307.db2.gz GWWGWQMPXIPFKV-MRXNPFEDSA-N 0 3 296.345 3.214 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1cccs1 ZINC000433107406 372582475 /nfs/dbraw/zinc/58/24/75/372582475.db2.gz YSGHDLIFLYYRBV-OAHLLOKOSA-N 0 3 298.411 3.179 20 30 CGEDHN Cc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433237031 372584337 /nfs/dbraw/zinc/58/43/37/372584337.db2.gz ZQASTXDBJVWPSY-GOSISDBHSA-N 0 3 292.382 3.384 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433307505 372588015 /nfs/dbraw/zinc/58/80/15/372588015.db2.gz VPSSLFGXABPSTN-GDBMZVCRSA-N 0 3 279.811 3.456 20 30 CGEDHN CC(C)N(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433349108 372595549 /nfs/dbraw/zinc/59/55/49/372595549.db2.gz YFZFPTLFTYYMDH-OAHLLOKOSA-N 0 3 270.376 3.158 20 30 CGEDHN C=CC(C)(C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000294484918 372656707 /nfs/dbraw/zinc/65/67/07/372656707.db2.gz GABKDARMDBXREZ-UHFFFAOYSA-N 0 3 288.435 3.309 20 30 CGEDHN C#CC[C@@H](NCCc1cscn1)c1ccccc1 ZINC000294874414 372676519 /nfs/dbraw/zinc/67/65/19/372676519.db2.gz BJZDUCOAQCDXRQ-OAHLLOKOSA-N 0 3 256.374 3.040 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc2ccc(C)cc21 ZINC000435594331 372783024 /nfs/dbraw/zinc/78/30/24/372783024.db2.gz WEZRDGJIKACYPC-KDOFPFPSSA-N 0 3 282.387 3.358 20 30 CGEDHN C[C@H](c1ccncc1)N(C)CCOc1ccccc1C#N ZINC000171934145 372857001 /nfs/dbraw/zinc/85/70/01/372857001.db2.gz HROVLTHUWSFCHZ-CQSZACIVSA-N 0 3 281.359 3.025 20 30 CGEDHN Cc1ccn(C)c1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000439670119 372981012 /nfs/dbraw/zinc/98/10/12/372981012.db2.gz FGXMTWUKRICIEV-NSHDSACASA-N 0 3 295.367 3.433 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)CC1(CC(=O)OC)CC1 ZINC000440519362 372987363 /nfs/dbraw/zinc/98/73/63/372987363.db2.gz UDCZORXVMAJPSP-UHFFFAOYSA-N 0 3 287.403 3.408 20 30 CGEDHN COc1cc(CN[C@H]2CC[C@@H](C#N)C2)c2ccccc2n1 ZINC000442764875 373074362 /nfs/dbraw/zinc/07/43/62/373074362.db2.gz IGVHMFNRAIMNSN-OCCSQVGLSA-N 0 3 281.359 3.025 20 30 CGEDHN CC(C)CC(=O)Nc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442787694 373082498 /nfs/dbraw/zinc/08/24/98/373082498.db2.gz ICYQIZJEBNHRBJ-ZBFHGGJFSA-N 0 3 299.418 3.453 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C12CCC2 ZINC000296315915 373086933 /nfs/dbraw/zinc/08/69/33/373086933.db2.gz PZDHWPCZGMWQOI-CVEARBPZSA-N 0 3 288.366 3.135 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCCC[C@@H]1CC ZINC000444663300 373224062 /nfs/dbraw/zinc/22/40/62/373224062.db2.gz KLBKCPZHVZWPMK-HOTGVXAUSA-N 0 3 278.440 3.088 20 30 CGEDHN CC(C#N)C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000444463919 373192317 /nfs/dbraw/zinc/19/23/17/373192317.db2.gz HKGUEOVIBFIKJG-JHJVBQTASA-N 0 3 250.386 3.115 20 30 CGEDHN C[C@@H](OCCCNCc1ccc(C#N)o1)c1ccccc1 ZINC000174249890 373276688 /nfs/dbraw/zinc/27/66/88/373276688.db2.gz JDUFGAWWKMSPHV-CQSZACIVSA-N 0 3 284.359 3.409 20 30 CGEDHN CCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1C ZINC000444677835 373232179 /nfs/dbraw/zinc/23/21/79/373232179.db2.gz QIALXTULFNEKIK-RHSMWYFYSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@H]1COC(C)(C)CN1CCCCC(C)(C)C#N ZINC000444698607 373241772 /nfs/dbraw/zinc/24/17/72/373241772.db2.gz SPIMSIBIGVHCHG-ZDUSSCGKSA-N 0 3 252.402 3.206 20 30 CGEDHN CC(C)SCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353592326 220177973 /nfs/dbraw/zinc/17/79/73/220177973.db2.gz AGHBCKJJFCJZIN-OAHLLOKOSA-N 0 3 260.406 3.277 20 30 CGEDHN COc1ccc(CNC[C@H](OC)c2ccccc2)cc1C#N ZINC000174297462 373286354 /nfs/dbraw/zinc/28/63/54/373286354.db2.gz PEKJGDGCIPMEKZ-SFHVURJKSA-N 0 3 296.370 3.044 20 30 CGEDHN CCC(CC)N(CC#Cc1ccc(F)cc1)CCOC ZINC000446846188 373371885 /nfs/dbraw/zinc/37/18/85/373371885.db2.gz WOMCMSNJGLVLJZ-UHFFFAOYSA-N 0 3 277.383 3.314 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000446877829 373373127 /nfs/dbraw/zinc/37/31/27/373373127.db2.gz OVOMNMMUUICREM-BLLLJJGKSA-N 0 3 282.318 3.191 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000447589093 373458347 /nfs/dbraw/zinc/45/83/47/373458347.db2.gz WMSOCTWARQNWJT-INIZCTEOSA-N 0 3 258.365 3.192 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000447837564 373506025 /nfs/dbraw/zinc/50/60/25/373506025.db2.gz VPVCWHRNNXNTPF-YOEHRIQHSA-N 0 3 291.822 3.317 20 30 CGEDHN C=C(C)CCNCc1cnc([C@@H]2CCCO2)s1 ZINC000449475181 373761864 /nfs/dbraw/zinc/76/18/64/373761864.db2.gz KUGAFEGUOIUOIE-LBPRGKRZSA-N 0 3 252.383 3.050 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccc(C)o2)s1 ZINC000449520507 373819672 /nfs/dbraw/zinc/81/96/72/373819672.db2.gz PZHYDUOQCFTHQP-OLZOCXBDSA-N 0 3 290.388 3.145 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)cc(Cl)cc1C ZINC000449524127 373822474 /nfs/dbraw/zinc/82/24/74/373822474.db2.gz YYFHWLBUSXOUSX-CABCVRRESA-N 0 3 265.784 3.390 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1sccc1Cl ZINC000449549442 373830217 /nfs/dbraw/zinc/83/02/17/373830217.db2.gz XYXQXDUBEAHWAV-MNOVXSKESA-N 0 3 257.786 3.225 20 30 CGEDHN CN(CCN(C)C1CC1)c1ccc(C(F)(F)F)cc1C#N ZINC000302269594 373846361 /nfs/dbraw/zinc/84/63/61/373846361.db2.gz RPIDGMQWEHLHFZ-UHFFFAOYSA-N 0 3 297.324 3.107 20 30 CGEDHN C=C(CC)CNCc1cc(O)cc(C(F)(F)F)c1 ZINC000449735461 373863051 /nfs/dbraw/zinc/86/30/51/373863051.db2.gz QVVHJUNSBDYDGW-UHFFFAOYSA-N 0 3 259.271 3.467 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](O)C2CCC2)cc1Cl ZINC000449739094 373867277 /nfs/dbraw/zinc/86/72/77/373867277.db2.gz ILLBOBKMHZNKSE-OAHLLOKOSA-N 0 3 295.810 3.155 20 30 CGEDHN C=CC1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000449851339 373943283 /nfs/dbraw/zinc/94/32/83/373943283.db2.gz AUAAXLVBGMEGLL-QGZVFWFLSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCCN(C)C2)CCCCC1 ZINC000449869265 373951813 /nfs/dbraw/zinc/95/18/13/373951813.db2.gz NCDCZHKDFGOXDP-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN CCCCN1CCCC[C@H]1CNc1c(C#N)cccc1C#N ZINC000302883615 373995690 /nfs/dbraw/zinc/99/56/90/373995690.db2.gz LAFBZOIDZIJJBK-KRWDZBQOSA-N 0 3 296.418 3.496 20 30 CGEDHN CC1CCC(N2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000303635284 374026174 /nfs/dbraw/zinc/02/61/74/374026174.db2.gz GGCHTFLPNPXRJD-UHFFFAOYSA-N 0 3 297.446 3.255 20 30 CGEDHN COC[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000452080307 374228638 /nfs/dbraw/zinc/22/86/38/374228638.db2.gz ISUCXUMCFSOEMV-OAHLLOKOSA-N 0 3 297.402 3.059 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000182344774 374261597 /nfs/dbraw/zinc/26/15/97/374261597.db2.gz LDQVAPGEJSKEDX-YOEHRIQHSA-N 0 3 286.419 3.341 20 30 CGEDHN C[C@@H](NC[C@@H]1COc2ccccc2O1)c1cccc(C#N)c1 ZINC000315507219 374328363 /nfs/dbraw/zinc/32/83/63/374328363.db2.gz SMPRNLDWZJTNMB-CZUORRHYSA-N 0 3 294.354 3.049 20 30 CGEDHN CCC1(CC)CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000316655691 374333925 /nfs/dbraw/zinc/33/39/25/374333925.db2.gz DWLNQIIGGRVKQI-AWEZNQCLSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1cccnc1 ZINC000182884471 374339355 /nfs/dbraw/zinc/33/93/55/374339355.db2.gz KZTPRAYIQJCQHS-AWEZNQCLSA-N 0 3 281.359 3.073 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)OC ZINC000453287349 374391440 /nfs/dbraw/zinc/39/14/40/374391440.db2.gz KWQUJUFPAHAMLY-VUCTXSBTSA-N 0 3 272.392 3.196 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cc(C#N)cs1 ZINC000185190484 374605876 /nfs/dbraw/zinc/60/58/76/374605876.db2.gz SAMHMZTWECLIBO-CABCVRRESA-N 0 3 278.421 3.303 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cccc(C#N)c1 ZINC000185198318 374610658 /nfs/dbraw/zinc/61/06/58/374610658.db2.gz ABJBMBZDSMVZMF-SJORKVTESA-N 0 3 272.392 3.242 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185961493 374774539 /nfs/dbraw/zinc/77/45/39/374774539.db2.gz KQYSRQSITDWACB-WFASDCNBSA-N 0 3 294.826 3.071 20 30 CGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2CCC)CC1 ZINC000186017150 374785208 /nfs/dbraw/zinc/78/52/08/374785208.db2.gz SMWKXTPJIFHPRM-INIZCTEOSA-N 0 3 293.455 3.001 20 30 CGEDHN N#Cc1csc(CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000334483461 374789357 /nfs/dbraw/zinc/78/93/57/374789357.db2.gz YIBJSOYLZFAIOV-HNNXBMFYSA-N 0 3 276.405 3.012 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccccc1OC(F)(F)F ZINC000186696416 374900882 /nfs/dbraw/zinc/90/08/82/374900882.db2.gz HIABVBCSVYVLBH-MNOVXSKESA-N 0 3 289.297 3.173 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1oc2ccccc2c1C ZINC000186695869 374900888 /nfs/dbraw/zinc/90/08/88/374900888.db2.gz QNUJMLDFMKJINK-QWHCGFSZSA-N 0 3 259.349 3.329 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCOCC2(CCC2)C1 ZINC000334632273 374924337 /nfs/dbraw/zinc/92/43/37/374924337.db2.gz FMOGPSFWIFTXMK-AWEZNQCLSA-N 0 3 270.376 3.122 20 30 CGEDHN CCC[C@@H](CCc1ccccc1)NC(=O)C(C)C#N ZINC000469730962 374991100 /nfs/dbraw/zinc/99/11/00/374991100.db2.gz HUZBGOFZJIUSFS-ZFWWWQNUSA-N 0 3 258.365 3.064 20 30 CGEDHN CCN(C(=O)C(C)C#N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000470538100 374997244 /nfs/dbraw/zinc/99/72/44/374997244.db2.gz RXVGBKJZFVQICQ-BBRMVZONSA-N 0 3 290.382 3.401 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CCN(CCC2CCCC2)CC1 ZINC000471154786 375003269 /nfs/dbraw/zinc/00/32/69/375003269.db2.gz WOYZMNMOAHACEM-LJQANCHMSA-N 0 3 297.446 3.449 20 30 CGEDHN C=CCC[C@H](O)CN(CC)Cc1ccccc1Cl ZINC000472747234 375032003 /nfs/dbraw/zinc/03/20/03/375032003.db2.gz HPGXTBSJSAMSKY-AWEZNQCLSA-N 0 3 267.800 3.489 20 30 CGEDHN C=CC[C@@H]1N(C(=O)CC2CCN(C)CC2)CCCC1(C)C ZINC000487521495 375246225 /nfs/dbraw/zinc/24/62/25/375246225.db2.gz WAKCDZAWTGLJJU-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(CCCOc1cccc(Cl)c1)CCOC ZINC000484691344 375189547 /nfs/dbraw/zinc/18/95/47/375189547.db2.gz ZXHXASIUZKWSHT-UHFFFAOYSA-N 0 3 283.799 3.243 20 30 CGEDHN C=CCCCCCN1CCN(c2ccc(O)cc2)CC1 ZINC000486792317 375198087 /nfs/dbraw/zinc/19/80/87/375198087.db2.gz DGJQAYPJRAPWQG-UHFFFAOYSA-N 0 3 274.408 3.261 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000188569961 375232064 /nfs/dbraw/zinc/23/20/64/375232064.db2.gz WZUDRLLQXVITLL-MAUKXSAKSA-N 0 3 288.435 3.225 20 30 CGEDHN Cc1cc(CN2CC[C@@H](c3cccnc3)C2)ccc1C#N ZINC000335419832 375279031 /nfs/dbraw/zinc/27/90/31/375279031.db2.gz ZQLYSXTWYPECTB-GOSISDBHSA-N 0 3 277.371 3.251 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000335445825 375299311 /nfs/dbraw/zinc/29/93/11/375299311.db2.gz XLRXJKFBBIQUEL-LBPRGKRZSA-N 0 3 270.376 3.028 20 30 CGEDHN CCC[C@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000189341666 375370742 /nfs/dbraw/zinc/37/07/42/375370742.db2.gz RCKQIRBBYJVTLU-DOTOQJQBSA-N 0 3 271.408 3.057 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@]3(CCCOC3)C2)cc1F ZINC000335787827 375430743 /nfs/dbraw/zinc/43/07/43/375430743.db2.gz BHNUBZKZNNVPAG-KRWDZBQOSA-N 0 3 288.366 3.090 20 30 CGEDHN C=C(CC)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000494485537 375488801 /nfs/dbraw/zinc/48/88/01/375488801.db2.gz LGTBMAJAILXGJJ-UONOGXRCSA-N 0 3 282.428 3.188 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](C2CC2)C1 ZINC000494755056 375492183 /nfs/dbraw/zinc/49/21/83/375492183.db2.gz AWKUNNSKCBHIGP-ZWKOTPCHSA-N 0 3 296.414 3.408 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000335999383 375607073 /nfs/dbraw/zinc/60/70/73/375607073.db2.gz XWCKPDDOOOZCIF-GHMZBOCLSA-N 0 3 294.757 3.172 20 30 CGEDHN C=CCOc1ccc(CNCC=C(C)C)cc1OC ZINC000191630763 375646222 /nfs/dbraw/zinc/64/62/22/375646222.db2.gz VRLKGFSVLCATGE-UHFFFAOYSA-N 0 3 261.365 3.316 20 30 CGEDHN CC#CCCN(Cc1ccc(OC)cc1OC)CC1CC1 ZINC000503238953 375649611 /nfs/dbraw/zinc/64/96/11/375649611.db2.gz VRDGETYZAFPCIF-UHFFFAOYSA-N 0 3 287.403 3.329 20 30 CGEDHN C=CCN(C)Cc1ccc(Br)c(C)c1 ZINC000501966666 375642703 /nfs/dbraw/zinc/64/27/03/375642703.db2.gz KJEKNLBLQXKZHT-UHFFFAOYSA-N 0 3 254.171 3.375 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191968131 375686065 /nfs/dbraw/zinc/68/60/65/375686065.db2.gz HCZOSIVBDPDHPK-KRWDZBQOSA-N 0 3 299.414 3.203 20 30 CGEDHN N#Cc1cccc(CNCc2cccc(-n3ccnc3)c2)c1 ZINC000507506100 375708606 /nfs/dbraw/zinc/70/86/06/375708606.db2.gz DGUHXXKAYKYACB-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN Cn1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000336354480 375780205 /nfs/dbraw/zinc/78/02/05/375780205.db2.gz GITZYLXMVQUELS-KRWDZBQOSA-N 0 3 265.360 3.064 20 30 CGEDHN Cc1cccc(CCCN2CCC(F)(C#N)CC2)c1 ZINC000510951104 375787508 /nfs/dbraw/zinc/78/75/08/375787508.db2.gz VMYLLAHNLIFXQM-UHFFFAOYSA-N 0 3 260.356 3.255 20 30 CGEDHN COCCC1CCN([C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000527935150 375895103 /nfs/dbraw/zinc/89/51/03/375895103.db2.gz KJFXNACYFQKQOZ-SFHVURJKSA-N 0 3 284.403 3.294 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCCC12CC2)c1nc2ccccc2[nH]1 ZINC000528911290 375914403 /nfs/dbraw/zinc/91/44/03/375914403.db2.gz WJZINULNOONFEB-NEPJUHHUSA-N 0 3 279.343 3.319 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529719763 375934081 /nfs/dbraw/zinc/93/40/81/375934081.db2.gz QCYLDXPFRRSEEU-DOTOQJQBSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN(Cc1cnc(OC)nc1C)CC1CCCCC1 ZINC000337173173 376113164 /nfs/dbraw/zinc/11/31/64/376113164.db2.gz GZYFHJSOCLVXBI-UHFFFAOYSA-N 0 3 289.423 3.362 20 30 CGEDHN C=CCN1CC[C@H](N2CCCC[C@@H]2CCC(C)C)C1=O ZINC000337176077 376116001 /nfs/dbraw/zinc/11/60/01/376116001.db2.gz IMKZWLLYFLHJTL-CVEARBPZSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccccc1OC1CCCC1 ZINC000537351927 376163709 /nfs/dbraw/zinc/16/37/09/376163709.db2.gz CEOZPKXGSBGENS-HNNXBMFYSA-N 0 3 289.419 3.282 20 30 CGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337517966 376225907 /nfs/dbraw/zinc/22/59/07/376225907.db2.gz WEPDAOKWEBZZHJ-DZGCQCFKSA-N 0 3 257.381 3.247 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000539388753 376306794 /nfs/dbraw/zinc/30/67/94/376306794.db2.gz YSTHSSNXEWDJMB-HRCADAONSA-N 0 3 295.471 3.151 20 30 CGEDHN N#Cc1ccc(NCCN2CC=CCC2)cc1C(F)(F)F ZINC000338711294 376494601 /nfs/dbraw/zinc/49/46/01/376494601.db2.gz JGVYRYYZIPNOMB-UHFFFAOYSA-N 0 3 295.308 3.251 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000338919117 376574630 /nfs/dbraw/zinc/57/46/30/376574630.db2.gz NNRWYWSIQAJKHG-MRXNPFEDSA-N 0 3 291.391 3.043 20 30 CGEDHN C=CCSCCN[C@H]1CCCc2ccc(O)cc21 ZINC000231930849 376575179 /nfs/dbraw/zinc/57/51/79/376575179.db2.gz HTADDGHFSMTSTO-HNNXBMFYSA-N 0 3 263.406 3.278 20 30 CGEDHN COc1cc(CN[C@@H]2CCc3ccccc32)ccc1C#N ZINC000235008292 376630274 /nfs/dbraw/zinc/63/02/74/376630274.db2.gz RZBWCZTZQFCEOZ-QGZVFWFLSA-N 0 3 278.355 3.344 20 30 CGEDHN C[C@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000543507494 376652997 /nfs/dbraw/zinc/65/29/97/376652997.db2.gz AHHAZTKAGYMXLL-DZGCQCFKSA-N 0 3 277.795 3.096 20 30 CGEDHN CC(C)N1CCCC[C@@H]1CSc1cc(C#N)ccn1 ZINC000339113807 376686881 /nfs/dbraw/zinc/68/68/81/376686881.db2.gz HPBNJPQLXJWJEM-CQSZACIVSA-N 0 3 275.421 3.308 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000264484379 190112811 /nfs/dbraw/zinc/11/28/11/190112811.db2.gz MDYPKXUVUPRNII-UHFFFAOYSA-N 0 3 273.355 3.150 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3ncc4n3CCCC4)C2)C1 ZINC000339158127 376716488 /nfs/dbraw/zinc/71/64/88/376716488.db2.gz ZTUNMNAXFYTKPU-OWCLPIDISA-N 0 3 298.434 3.091 20 30 CGEDHN COc1cc(CN(C)[C@@H](C)CCC#N)ccc1OC(F)F ZINC000556811877 376883323 /nfs/dbraw/zinc/88/33/23/376883323.db2.gz JZBVBBNQLFOHCB-NSHDSACASA-N 0 3 298.333 3.421 20 30 CGEDHN C=CCCCN(C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000246776002 377087977 /nfs/dbraw/zinc/08/79/77/377087977.db2.gz OIIWQCVXVOQIJR-HZPDHXFCSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000247273351 377188121 /nfs/dbraw/zinc/18/81/21/377188121.db2.gz GUIDRUGRGVCACY-SOUVJXGZSA-N 0 3 263.381 3.380 20 30 CGEDHN C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000248369270 377297212 /nfs/dbraw/zinc/29/72/12/377297212.db2.gz WBKNJAVYZGHNLK-OLZOCXBDSA-N 0 3 253.349 3.041 20 30 CGEDHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216238 377422474 /nfs/dbraw/zinc/42/24/74/377422474.db2.gz UATZHDSIRIIMRA-SMDDNHRTSA-N 0 3 273.336 3.087 20 30 CGEDHN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000563365187 377450445 /nfs/dbraw/zinc/45/04/45/377450445.db2.gz BYXVLLMYZQRQPJ-UHFFFAOYSA-N 0 3 284.363 3.229 20 30 CGEDHN CCn1nc(C)c(CN2CCC(CCC#N)CC2)c1C ZINC000563957459 377474403 /nfs/dbraw/zinc/47/44/03/377474403.db2.gz HGTXSQSJCBCABW-UHFFFAOYSA-N 0 3 274.412 3.036 20 30 CGEDHN C=CC[C@H](CO)CNCc1cc(Cl)ccc1Cl ZINC000341268571 377478536 /nfs/dbraw/zinc/47/85/36/377478536.db2.gz KIADHSANIKIMCT-JTQLQIEISA-N 0 3 274.191 3.268 20 30 CGEDHN CCc1oc(CNCC(C)(C)CCC#N)cc1C(=O)OC ZINC000568496029 377519899 /nfs/dbraw/zinc/51/98/99/377519899.db2.gz LRAJJUXFRWHAOK-UHFFFAOYSA-N 0 3 292.379 3.048 20 30 CGEDHN COc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1O ZINC000573090131 377554162 /nfs/dbraw/zinc/55/41/62/377554162.db2.gz RUUSOZQBAPKPTE-CYBMUJFWSA-N 0 3 296.370 3.318 20 30 CGEDHN COC[C@H](NCCCC(C)(C)C#N)c1ccc(F)cc1 ZINC000342319657 377641305 /nfs/dbraw/zinc/64/13/05/377641305.db2.gz NIYDISYDZSRXPO-HNNXBMFYSA-N 0 3 278.371 3.433 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000342727623 377758606 /nfs/dbraw/zinc/75/86/06/377758606.db2.gz VPNVXPIOTHNMGW-GJZGRUSLSA-N 0 3 274.408 3.069 20 30 CGEDHN C=CCCN(C)Cc1cc(Cl)cc2c1OCC2 ZINC000342738207 377766249 /nfs/dbraw/zinc/76/62/49/377766249.db2.gz UCLOFLMHKJTAKW-UHFFFAOYSA-N 0 3 251.757 3.283 20 30 CGEDHN C[C@@H](CC#N)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264106679 377956216 /nfs/dbraw/zinc/95/62/16/377956216.db2.gz UWVKLGVCPHHVGE-HNNXBMFYSA-N 0 3 299.418 3.047 20 30 CGEDHN Cc1ccccc1[C@H]1C[C@H](C)N(CC2(C#N)CC2)C1 ZINC000343320809 377951418 /nfs/dbraw/zinc/95/14/18/377951418.db2.gz MVMHDYTXOHEEQC-GJZGRUSLSA-N 0 3 254.377 3.477 20 30 CGEDHN Cc1ccccc1[C@H]1C[C@@H](C)N(CC2(C#N)CC2)C1 ZINC000343320808 377952208 /nfs/dbraw/zinc/95/22/08/377952208.db2.gz MVMHDYTXOHEEQC-CABCVRRESA-N 0 3 254.377 3.477 20 30 CGEDHN C=C1CCN(CCCCC(=O)OC(C)(C)C)CC1 ZINC000343527667 378008278 /nfs/dbraw/zinc/00/82/78/378008278.db2.gz LKECDKUFSIPVKW-UHFFFAOYSA-N 0 3 253.386 3.150 20 30 CGEDHN CC[C@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C(C)(C)C ZINC000343597829 378033919 /nfs/dbraw/zinc/03/39/19/378033919.db2.gz TZYFXZQEONHBNP-ZDUSSCGKSA-N 0 3 291.395 3.121 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000343656206 378056799 /nfs/dbraw/zinc/05/67/99/378056799.db2.gz JGCDTSLLLMGBJP-OIBJUYFYSA-N 0 3 290.672 3.219 20 30 CGEDHN C=CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268552879 378073454 /nfs/dbraw/zinc/07/34/54/378073454.db2.gz MXLKEUVEGBEXME-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN C[C@H](Cc1ccc(Br)cc1)NCC1(C#N)CC1 ZINC000579067290 378126942 /nfs/dbraw/zinc/12/69/42/378126942.db2.gz VBEIKOKWKATEPO-LLVKDONJSA-N 0 3 293.208 3.273 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cncc(OC)c1 ZINC000343948089 378141884 /nfs/dbraw/zinc/14/18/84/378141884.db2.gz CSPWLVHSJYZEEZ-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(CO)c2)cc1 ZINC000268883674 378143596 /nfs/dbraw/zinc/14/35/96/378143596.db2.gz NPDXKBMRVZIZKA-OAHLLOKOSA-N 0 3 295.382 3.042 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NCc1ccc(C)cc1 ZINC000579289860 378146252 /nfs/dbraw/zinc/14/62/52/378146252.db2.gz PANVKGSWPOKMJC-UHFFFAOYSA-N 0 3 288.435 3.289 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H](O)C(C)(C)C ZINC000343974443 378149017 /nfs/dbraw/zinc/14/90/17/378149017.db2.gz QYDBIRJLFBRRCR-CYBMUJFWSA-N 0 3 253.411 3.143 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1Cl ZINC000579352827 378152130 /nfs/dbraw/zinc/15/21/30/378152130.db2.gz MTZSLJVQGOKAIV-AAEUAGOBSA-N 0 3 281.783 3.172 20 30 CGEDHN N#Cc1ccc(CNCCCOC2CCCC2)c(F)c1 ZINC000269453502 378223519 /nfs/dbraw/zinc/22/35/19/378223519.db2.gz WKYYOOZGJQWZAE-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN CCN1C[C@@H](C)N(c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000345161094 378209649 /nfs/dbraw/zinc/20/96/49/378209649.db2.gz JOOWTYOFUCOGSO-VXGBXAGGSA-N 0 3 277.799 3.131 20 30 CGEDHN CCC(C)(C)[C@@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000579960343 378211348 /nfs/dbraw/zinc/21/13/48/378211348.db2.gz NJRJXUATHGELJL-HNNXBMFYSA-N 0 3 297.406 3.002 20 30 CGEDHN COCCC1(CNCc2ccc(C#N)cc2F)CCCC1 ZINC000269398980 378216619 /nfs/dbraw/zinc/21/66/19/378216619.db2.gz FNPSSAHZGUICQG-UHFFFAOYSA-N 0 3 290.382 3.384 20 30 CGEDHN C[C@H](N[C@H]1COc2cc(F)ccc2C1)c1ccc(C#N)cc1 ZINC000580964094 378272655 /nfs/dbraw/zinc/27/26/55/378272655.db2.gz XWUNZIAORKISMZ-YVEFUNNKSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000583721673 378341467 /nfs/dbraw/zinc/34/14/67/378341467.db2.gz JSHKXMSXNSQEJS-CVEARBPZSA-N 0 3 280.456 3.360 20 30 CGEDHN CC1(C)CN(CCCSCC#N)Cc2ccccc21 ZINC000270386452 378344479 /nfs/dbraw/zinc/34/44/79/378344479.db2.gz RIPWMRQXRNSDKZ-UHFFFAOYSA-N 0 3 274.433 3.427 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000271129181 378459883 /nfs/dbraw/zinc/45/98/83/378459883.db2.gz OKORCAQTRHOALE-MRXNPFEDSA-N 0 3 297.402 3.354 20 30 CGEDHN C#CCCCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000271046229 378438217 /nfs/dbraw/zinc/43/82/17/378438217.db2.gz OESJKYLQIOIJNI-MRXNPFEDSA-N 0 3 267.376 3.124 20 30 CGEDHN CC[C@@H](CSC)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271911997 378514385 /nfs/dbraw/zinc/51/43/85/378514385.db2.gz BGPKSXXJGMCQFD-GWCFXTLKSA-N 0 3 266.385 3.490 20 30 CGEDHN C=CCN(CCC[C@H]1CCO1)Cc1cccs1 ZINC000637871508 378608423 /nfs/dbraw/zinc/60/84/23/378608423.db2.gz NVNZZVJFEITKOF-ZDUSSCGKSA-N 0 3 251.395 3.305 20 30 CGEDHN C=C[C@@H](CC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000272677147 378687408 /nfs/dbraw/zinc/68/74/08/378687408.db2.gz KDBBPNARJWHXGS-CVEARBPZSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCOc1ccccc1CNCCc1nc(C)oc1C ZINC000346786073 378688569 /nfs/dbraw/zinc/68/85/69/378688569.db2.gz DNZUDCPDHYSPTC-UHFFFAOYSA-N 0 3 286.375 3.189 20 30 CGEDHN C=CCOCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000348047911 378766563 /nfs/dbraw/zinc/76/65/63/378766563.db2.gz GJTMFHYDWZTICF-UHFFFAOYSA-N 0 3 290.363 3.152 20 30 CGEDHN C=CCOCCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000348050242 378768665 /nfs/dbraw/zinc/76/86/65/378768665.db2.gz LVICQIPADFGYPL-CYBMUJFWSA-N 0 3 281.346 3.347 20 30 CGEDHN N#Cc1ccc(OCCN2CCCC3(CCC3)C2)cc1 ZINC000348185564 378829937 /nfs/dbraw/zinc/82/99/37/378829937.db2.gz ZZILJTVBTILBPQ-UHFFFAOYSA-N 0 3 270.376 3.203 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2ccccc2nc1C ZINC000639145935 379070187 /nfs/dbraw/zinc/07/01/87/379070187.db2.gz OGJPHUGYINUQJO-KBXCAEBGSA-N 0 3 297.402 3.009 20 30 CGEDHN CCOC1CC2(C1)CCN(Cc1cc(C#N)cs1)C2 ZINC000348872133 379093559 /nfs/dbraw/zinc/09/35/59/379093559.db2.gz ZGFIUPZJJYQPPU-UHFFFAOYSA-N 0 3 276.405 3.011 20 30 CGEDHN CC[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(C#N)cc1 ZINC000278816018 194168170 /nfs/dbraw/zinc/16/81/70/194168170.db2.gz SFOLQSSQCMPZOI-IPMKNSEASA-N 0 3 292.382 3.257 20 30 CGEDHN CCCCOCCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000278841625 194178989 /nfs/dbraw/zinc/17/89/89/194178989.db2.gz UUUVCIMBZSYKMJ-INIZCTEOSA-N 0 3 260.381 3.416 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639310039 379261264 /nfs/dbraw/zinc/26/12/64/379261264.db2.gz NNYXAPGKKSIEKG-DZGCQCFKSA-N 0 3 259.397 3.443 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000349775154 379378474 /nfs/dbraw/zinc/37/84/74/379378474.db2.gz KBILVQKPMXAXKA-CZUORRHYSA-N 0 3 263.381 3.203 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@H](c3ccco3)C2)c1 ZINC000374000509 379358992 /nfs/dbraw/zinc/35/89/92/379358992.db2.gz CZPXTSPITBLSFJ-ZDUSSCGKSA-N 0 3 270.307 3.280 20 30 CGEDHN COc1ccc(Cl)cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349821294 379401936 /nfs/dbraw/zinc/40/19/36/379401936.db2.gz JZDGIQPNSXHCRV-ZWNOBZJWSA-N 0 3 264.756 3.130 20 30 CGEDHN C=CCN1CCC([NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280085021 379600087 /nfs/dbraw/zinc/60/00/87/379600087.db2.gz LZZRCKRGRKHIFM-KRWDZBQOSA-N 0 3 288.435 3.392 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)c1ccc(OC)cc1 ZINC000352420345 379808310 /nfs/dbraw/zinc/80/83/10/379808310.db2.gz BRYSDZFIUAPXIV-OAHLLOKOSA-N 0 3 273.376 3.309 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000280751526 379780412 /nfs/dbraw/zinc/78/04/12/379780412.db2.gz XWCAWBBEMULVLX-YXPYIKCWSA-N 0 3 275.392 3.474 20 30 CGEDHN C=CC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352424867 379809353 /nfs/dbraw/zinc/80/93/53/379809353.db2.gz ISMOKNHVXMMVSY-UHFFFAOYSA-N 0 3 276.336 3.001 20 30 CGEDHN C=CC[C@@H](CC)NCc1cnc([C@H]2CCCO2)s1 ZINC000281404953 379831467 /nfs/dbraw/zinc/83/14/67/379831467.db2.gz PUXJHUIXKVJCIV-DGCLKSJQSA-N 0 3 266.410 3.439 20 30 CGEDHN CC(C#N)C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000352677060 379904591 /nfs/dbraw/zinc/90/45/91/379904591.db2.gz KTVTXKCQEOEYJT-AWEZNQCLSA-N 0 3 270.376 3.065 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C)S1 ZINC000398990698 379933309 /nfs/dbraw/zinc/93/33/09/379933309.db2.gz LDNVAAUIUOKHLQ-BETUJISGSA-N 0 3 260.406 3.078 20 30 CGEDHN Cc1cccc([C@@H](C)CNCc2nc(C#N)cs2)c1 ZINC000352838332 379992816 /nfs/dbraw/zinc/99/28/16/379992816.db2.gz MIPZDIRRIBURFQ-LBPRGKRZSA-N 0 3 271.389 3.217 20 30 CGEDHN N#CCC1(CNCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352872930 380014968 /nfs/dbraw/zinc/01/49/68/380014968.db2.gz RTFOLDAWIQNXGF-UHFFFAOYSA-N 0 3 293.292 3.361 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](CC)c1ccccc1F ZINC000353001866 380070105 /nfs/dbraw/zinc/07/01/05/380070105.db2.gz QZJCFANEBUPKQU-WFASDCNBSA-N 0 3 251.345 3.051 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](CC)c1ccccc1F ZINC000353000258 380070412 /nfs/dbraw/zinc/07/04/12/380070412.db2.gz QZJCFANEBUPKQU-SWLSCSKDSA-N 0 3 251.345 3.051 20 30 CGEDHN N#CC1(CCN2CCC(c3ncc[nH]3)CC2)CCCCC1 ZINC000411312850 380139794 /nfs/dbraw/zinc/13/97/94/380139794.db2.gz WACFFWQNJNUVAK-UHFFFAOYSA-N 0 3 286.423 3.453 20 30 CGEDHN CN(CCC1(C#N)CCCCC1)[C@@H]1CCSC1 ZINC000411408616 380144961 /nfs/dbraw/zinc/14/49/61/380144961.db2.gz QFKIMJDPBVWWRO-CYBMUJFWSA-N 0 3 252.427 3.288 20 30 CGEDHN CC(C)CCOC1CCN([C@@H](C)CCC#N)CC1 ZINC000411172671 380131014 /nfs/dbraw/zinc/13/10/14/380131014.db2.gz IPMUDYCHCIGCNI-AWEZNQCLSA-N 0 3 252.402 3.206 20 30 CGEDHN COc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1F ZINC000414159817 380195172 /nfs/dbraw/zinc/19/51/72/380195172.db2.gz BZVKQRSRNNRYNR-LLVKDONJSA-N 0 3 264.344 3.425 20 30 CGEDHN COc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353424718 380206624 /nfs/dbraw/zinc/20/66/24/380206624.db2.gz HYIBTOFLACUEHK-GOSISDBHSA-N 0 3 278.355 3.344 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000411558952 380152019 /nfs/dbraw/zinc/15/20/19/380152019.db2.gz MSUFDCHEXMSMKE-RHSMWYFYSA-N 0 3 270.376 3.200 20 30 CGEDHN CCn1cc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353913731 380232624 /nfs/dbraw/zinc/23/26/24/380232624.db2.gz IYUNUJOFJBLSCI-KRWDZBQOSA-N 0 3 282.391 3.428 20 30 CGEDHN Cc1occc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000414440657 380237537 /nfs/dbraw/zinc/23/75/37/380237537.db2.gz NCAWPWMNAHLROK-UHFFFAOYSA-N 0 3 297.402 3.024 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncc(C)n1C ZINC000414540057 380309291 /nfs/dbraw/zinc/30/92/91/380309291.db2.gz TYVXOPUIWGCGHN-INIZCTEOSA-N 0 3 269.392 3.006 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1nc(C)sc1C ZINC000643901811 380393325 /nfs/dbraw/zinc/39/33/25/380393325.db2.gz RNGQGYCMMIWKDZ-ICCXJUOJSA-N 0 3 266.410 3.002 20 30 CGEDHN C=CCC(C)(C)CNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416236424 380526397 /nfs/dbraw/zinc/52/63/97/380526397.db2.gz AYZQCDXTQAVECP-INIZCTEOSA-N 0 3 288.435 3.398 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000419368991 380816924 /nfs/dbraw/zinc/81/69/24/380816924.db2.gz GPUBZGYARODQKH-RWMBFGLXSA-N 0 3 258.365 3.043 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](CCO)CC1 ZINC000421404905 380954866 /nfs/dbraw/zinc/95/48/66/380954866.db2.gz ZMOGZZDVKMZPGJ-MRXNPFEDSA-N 0 3 289.419 3.236 20 30 CGEDHN CC1(C)CCC[C@](O)(CNCc2ccc(C#N)c(F)c2)C1 ZINC000421390764 380936920 /nfs/dbraw/zinc/93/69/20/380936920.db2.gz MPPZTIMOEXRGIL-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN C=CC[C@@H](C)N[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000358044124 381288733 /nfs/dbraw/zinc/28/87/33/381288733.db2.gz XPSSTHZOFQOGIA-CHWSQXEVSA-N 0 3 270.380 3.191 20 30 CGEDHN CC(C#N)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000357824651 381283682 /nfs/dbraw/zinc/28/36/82/381283682.db2.gz KWIDCXRXXASSFJ-CYBMUJFWSA-N 0 3 280.327 3.255 20 30 CGEDHN C[C@H](Cn1cccn1)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360650552 381606428 /nfs/dbraw/zinc/60/64/28/381606428.db2.gz YJBIFWWMZPFDOA-RDTXWAMCSA-N 0 3 294.402 3.201 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000360738555 381623407 /nfs/dbraw/zinc/62/34/07/381623407.db2.gz LZQLBFDGWBTJLZ-STQMWFEESA-N 0 3 295.342 3.211 20 30 CGEDHN CCCCCCC[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000369026779 382385039 /nfs/dbraw/zinc/38/50/39/382385039.db2.gz DOYTZISGRICOCY-OAHLLOKOSA-N 0 3 272.396 3.454 20 30 CGEDHN N#Cc1ccc(F)cc1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335377127 208313960 /nfs/dbraw/zinc/31/39/60/208313960.db2.gz AHRYZEICLOHFSO-WMLDXEAASA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)cc1F ZINC000335380749 208322856 /nfs/dbraw/zinc/32/28/56/208322856.db2.gz QGHTUERCADQKGY-RDJZCZTQSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2[C@H]2CCCOC2)c1F ZINC000335381896 208324908 /nfs/dbraw/zinc/32/49/08/208324908.db2.gz WUUNPUHDOMWAEQ-HOTGVXAUSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC000336153311 533109444 /nfs/dbraw/zinc/10/94/44/533109444.db2.gz IURBQXZULMMEFA-YOEHRIQHSA-N 0 3 270.376 3.116 20 30 CGEDHN CC#CCCN1CCC2(CC1)OCCc1ccsc12 ZINC000334591177 542458657 /nfs/dbraw/zinc/45/86/57/542458657.db2.gz ZCUCQMCVDWNZAH-UHFFFAOYSA-N 0 3 275.417 3.025 20 30 CGEDHN C=CC[C@H](CO)N[C@H]1CCSc2c(Cl)cccc21 ZINC000349756610 542526773 /nfs/dbraw/zinc/52/67/73/542526773.db2.gz IBCRYQVHQWBQTH-MFKMUULPSA-N 0 3 283.824 3.404 20 30 CGEDHN C[C@@H](NCC1CCSCC1)c1ccc(C#N)cc1F ZINC000358557891 533370112 /nfs/dbraw/zinc/37/01/12/533370112.db2.gz NVORFSZRMMUZOX-LLVKDONJSA-N 0 3 278.396 3.491 20 30 CGEDHN COc1ccc(CNCCCC#N)cc1OCC(C)C ZINC000344363071 533661856 /nfs/dbraw/zinc/66/18/56/533661856.db2.gz SSANLDPDSJPFKK-UHFFFAOYSA-N 0 3 276.380 3.123 20 30 CGEDHN CC[C@@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(C)c1 ZINC000191291570 130218197 /nfs/dbraw/zinc/21/81/97/130218197.db2.gz YNQQIAIACPSMSD-KRWDZBQOSA-N 0 3 297.402 3.152 20 30 CGEDHN Cc1nc2ccccc2n1CCNCc1ccc(C#N)cc1 ZINC000052685795 392079664 /nfs/dbraw/zinc/07/96/64/392079664.db2.gz QWMNEOLKODICII-UHFFFAOYSA-N 0 3 290.370 3.006 20 30 CGEDHN C=CCN(CCCCC#N)Cc1cccc(C#N)c1 ZINC000102398955 392272702 /nfs/dbraw/zinc/27/27/02/392272702.db2.gz KNBMFANMASUNPK-UHFFFAOYSA-N 0 3 253.349 3.240 20 30 CGEDHN C=C(Cl)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285822748 392335330 /nfs/dbraw/zinc/33/53/30/392335330.db2.gz GUOAMRRODQWRFP-OAGGEKHMSA-N 0 3 277.795 3.243 20 30 CGEDHN CCCO[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000108393346 392342078 /nfs/dbraw/zinc/34/20/78/392342078.db2.gz XRVQMZHKMDBUIS-KRWDZBQOSA-N 0 3 272.392 3.339 20 30 CGEDHN C=CCC[C@H](NCC1CCN(C(C)=O)CC1)c1ccco1 ZINC000285537211 392324729 /nfs/dbraw/zinc/32/47/29/392324729.db2.gz BYABWKYMMSRMGG-INIZCTEOSA-N 0 3 290.407 3.135 20 30 CGEDHN C=CCC[C@H](NC[C@@H](O)[C@H](C)CC)c1ccco1 ZINC000286013348 392363099 /nfs/dbraw/zinc/36/30/99/392363099.db2.gz JHGYMOYRQURCJU-HZSPNIEDSA-N 0 3 251.370 3.284 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)CC1CC(OCC)C1 ZINC000286052302 392369618 /nfs/dbraw/zinc/36/96/18/392369618.db2.gz RDUUQSXJGWSDRK-UHFFFAOYSA-N 0 3 275.367 3.076 20 30 CGEDHN C=CCC[C@H](CCC)N[C@@H](c1nncn1C)C(C)C ZINC000289070428 392413537 /nfs/dbraw/zinc/41/35/37/392413537.db2.gz AEMBVQXRJCDCMD-UONOGXRCSA-N 0 3 264.417 3.237 20 30 CGEDHN C#Cc1ccc(CNC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000289245171 392416925 /nfs/dbraw/zinc/41/69/25/392416925.db2.gz LJBQGUKZCGVKAM-KRWDZBQOSA-N 0 3 284.428 3.122 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC)c2ccccc21 ZINC000289716943 392430182 /nfs/dbraw/zinc/43/01/82/392430182.db2.gz JJIHMINHHUGUNK-QWHCGFSZSA-N 0 3 271.360 3.046 20 30 CGEDHN C[C@H](N[C@H]1COc2ccc(F)cc2C1)c1ccc(C#N)cc1 ZINC000290167814 392442251 /nfs/dbraw/zinc/44/22/51/392442251.db2.gz DQEQZELTSKCECT-YVEFUNNKSA-N 0 3 296.345 3.352 20 30 CGEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)CCC(C)(C)C#N ZINC000119999692 392398871 /nfs/dbraw/zinc/39/88/71/392398871.db2.gz KBWICVHXMGKLNA-CZUORRHYSA-N 0 3 272.392 3.250 20 30 CGEDHN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CCCCC#N ZINC000374143153 392669760 /nfs/dbraw/zinc/66/97/60/392669760.db2.gz RMGSGJSFCLFCMK-CVEARBPZSA-N 0 3 292.423 3.124 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000178526609 392680872 /nfs/dbraw/zinc/68/08/72/392680872.db2.gz WSEXWXAGHYUTTA-AWEZNQCLSA-N 0 3 272.392 3.099 20 30 CGEDHN CN(CCCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000174809275 392645866 /nfs/dbraw/zinc/64/58/66/392645866.db2.gz VCEQBQQMXPUBSE-AWEZNQCLSA-N 0 3 288.391 3.088 20 30 CGEDHN C=C(C)COc1cc(CN(C)[C@H](C)COC)ccc1OC ZINC000179373843 392699536 /nfs/dbraw/zinc/69/95/36/392699536.db2.gz UGOUJFMRPFDIDV-CQSZACIVSA-N 0 3 293.407 3.117 20 30 CGEDHN C=CCCCCCN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000519772813 392893381 /nfs/dbraw/zinc/89/33/81/392893381.db2.gz LWAAFINVHIPBIW-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN C=C(CC)CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338593406 392922636 /nfs/dbraw/zinc/92/26/36/392922636.db2.gz RROOEZINMDXEGJ-UHFFFAOYSA-N 0 3 282.391 3.198 20 30 CGEDHN COc1c(C)cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1C ZINC000338956304 392937424 /nfs/dbraw/zinc/93/74/24/392937424.db2.gz WVOXANDLWJRZQS-GDBMZVCRSA-N 0 3 272.392 3.436 20 30 CGEDHN C=CCOCCN1CCC[C@H]1c1ccc(OCC)cc1 ZINC000338882421 392933797 /nfs/dbraw/zinc/93/37/97/392933797.db2.gz HSGJYDBUDIFHKX-KRWDZBQOSA-N 0 3 275.392 3.425 20 30 CGEDHN N#CCCOCCN1CCC(CCc2ccccc2)CC1 ZINC000338887397 392934090 /nfs/dbraw/zinc/93/40/90/392934090.db2.gz RKABZCMDWIWHDA-UHFFFAOYSA-N 0 3 286.419 3.261 20 30 CGEDHN C[C@H](NCCOCCC#N)c1ccc(-c2ccncc2)cc1 ZINC000339069979 392945634 /nfs/dbraw/zinc/94/56/34/392945634.db2.gz BWJXLSNFYQPQOD-HNNXBMFYSA-N 0 3 295.386 3.329 20 30 CGEDHN CC[C@@H](NCCOCCC#N)c1ccc(Cl)s1 ZINC000339082736 392946921 /nfs/dbraw/zinc/94/69/21/392946921.db2.gz CIOQWGWWKRLUOQ-SNVBAGLBSA-N 0 3 272.801 3.372 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000404582255 392967939 /nfs/dbraw/zinc/96/79/39/392967939.db2.gz HFKHFLQODLFENV-CVEARBPZSA-N 0 3 288.366 3.135 20 30 CGEDHN CO[C@](C)([C@H](C)NCC#Cc1ccccc1Cl)C1CC1 ZINC000411962821 392991135 /nfs/dbraw/zinc/99/11/35/392991135.db2.gz BPVSDUPRENGENM-SUMWQHHRSA-N 0 3 291.822 3.485 20 30 CGEDHN CC(C)CCN(CCC#N)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000412166467 392997070 /nfs/dbraw/zinc/99/70/70/392997070.db2.gz FVCRBEMGNDCXAW-OAGGEKHMSA-N 0 3 293.455 3.036 20 30 CGEDHN COCC1(C#N)CCN(Cc2cccc(C)c2C)CC1 ZINC000342839337 393011534 /nfs/dbraw/zinc/01/15/34/393011534.db2.gz QLRZXYCKXBWMPD-UHFFFAOYSA-N 0 3 272.392 3.056 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000345512876 393057208 /nfs/dbraw/zinc/05/72/08/393057208.db2.gz VONMURDRGWCWAB-PBHICJAKSA-N 0 3 294.354 3.083 20 30 CGEDHN Cc1ccc(CN(CCN(C)C)CC(C)(C)CCC#N)o1 ZINC000349038371 393136668 /nfs/dbraw/zinc/13/66/68/393136668.db2.gz UUHCBPFLJLHIMD-UHFFFAOYSA-N 0 3 291.439 3.282 20 30 CGEDHN C=CCCCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000349341039 393144883 /nfs/dbraw/zinc/14/48/83/393144883.db2.gz IMUQRYCOKJBPLD-LBPRGKRZSA-N 0 3 299.411 3.236 20 30 CGEDHN C[C@@H]1C[C@@H](C)N1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000547769552 393146722 /nfs/dbraw/zinc/14/67/22/393146722.db2.gz NKABVMPLCSFQJB-GHMZBOCLSA-N 0 3 291.782 3.023 20 30 CGEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCCC#N ZINC000351137532 393164488 /nfs/dbraw/zinc/16/44/88/393164488.db2.gz CCPOTJDTRRRPQC-BXUZGUMPSA-N 0 3 266.772 3.309 20 30 CGEDHN COCCC[C@@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000355283706 393291573 /nfs/dbraw/zinc/29/15/73/393291573.db2.gz BUPIDISUTWTUNN-INIZCTEOSA-N 0 3 298.386 3.279 20 30 CGEDHN COc1cc(CN2CC(C)(C)[C@H]2C2CC2)ccc1C#N ZINC000356280625 393406265 /nfs/dbraw/zinc/40/62/65/393406265.db2.gz KTCXDVJUZYSIOD-MRXNPFEDSA-N 0 3 270.376 3.187 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](c2ccccc2)C(C)(C)C)C1=O ZINC000281908114 393368979 /nfs/dbraw/zinc/36/89/79/393368979.db2.gz GIFLWJGVWNWXPB-HOTGVXAUSA-N 0 3 286.419 3.150 20 30 CGEDHN C=CCCCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000360636672 393571750 /nfs/dbraw/zinc/57/17/50/393571750.db2.gz USDCIABDYKLLBP-AWEZNQCLSA-N 0 3 264.438 3.393 20 30 CGEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1(C)CCCC1 ZINC000489881381 393619260 /nfs/dbraw/zinc/61/92/60/393619260.db2.gz HSAFPMSWFUQIGG-UHFFFAOYSA-N 0 3 296.374 3.373 20 30 CGEDHN CO[C@@](C)(CN[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000361007938 393639233 /nfs/dbraw/zinc/63/92/33/393639233.db2.gz CEKLTWPDCPSTST-BZNIZROVSA-N 0 3 276.355 3.163 20 30 CGEDHN CCCOCc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442705810 393738705 /nfs/dbraw/zinc/73/87/05/393738705.db2.gz BSHDZMRZFCVEGA-WMLDXEAASA-N 0 3 272.392 3.395 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1cc(COC)cs1 ZINC000668078766 542966354 /nfs/dbraw/zinc/96/63/54/542966354.db2.gz UIHQMRIASLSQGL-ZDUSSCGKSA-N 0 3 251.395 3.435 20 30 CGEDHN COCC#CCN1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000671722792 543181292 /nfs/dbraw/zinc/18/12/92/543181292.db2.gz WQOIXOPFERGYRD-DOTOQJQBSA-N 0 3 257.377 3.109 20 30 CGEDHN C=CCCCN(CC)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000735490655 572726071 /nfs/dbraw/zinc/72/60/71/572726071.db2.gz MZZQJHSPZNPJGP-CQSZACIVSA-N 0 3 295.448 3.439 20 30 CGEDHN C=C(CC)CN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000678623642 543546902 /nfs/dbraw/zinc/54/69/02/543546902.db2.gz RNQYGTSBHVZYPL-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000678731008 543551583 /nfs/dbraw/zinc/55/15/83/543551583.db2.gz ILELDFBLBPISEP-DYVFJYSZSA-N 0 3 259.393 3.153 20 30 CGEDHN C=CCN(C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000678889128 543569817 /nfs/dbraw/zinc/56/98/17/543569817.db2.gz HQZRBHWEDGLNDF-KRWDZBQOSA-N 0 3 299.414 3.476 20 30 CGEDHN COc1ccc(CN2CCC[C@H]3CCC[C@@H]32)cc1C#N ZINC000087833449 165191205 /nfs/dbraw/zinc/19/12/05/165191205.db2.gz ZJHCYMIRCLKDRK-ZBFHGGJFSA-N 0 3 270.376 3.331 20 30 CGEDHN N#Cc1cc(NC2CCN(Cc3ccccc3)CC2)ccn1 ZINC000285482571 196299305 /nfs/dbraw/zinc/29/93/05/196299305.db2.gz DDCFGBNNCVUFEG-UHFFFAOYSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000342734302 416541407 /nfs/dbraw/zinc/54/14/07/416541407.db2.gz JPYFFTDBAXNMIM-CHWSQXEVSA-N 0 3 294.826 3.414 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000679576581 543647845 /nfs/dbraw/zinc/64/78/45/543647845.db2.gz PTBGOUPLCDWLBY-ZDUSSCGKSA-N 0 3 256.349 3.088 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000679576686 543648017 /nfs/dbraw/zinc/64/80/17/543648017.db2.gz RIJBERRRIKUDEA-LBPRGKRZSA-N 0 3 281.421 3.270 20 30 CGEDHN C=CCCO[C@@H](C)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000680778608 543734558 /nfs/dbraw/zinc/73/45/58/543734558.db2.gz OZYPDWNPGPVGOE-FUDCBSFHSA-N 0 3 291.395 3.064 20 30 CGEDHN COCC#CCN[C@H](C)c1cc2ccccc2s1 ZINC000680418653 543710169 /nfs/dbraw/zinc/71/01/69/543710169.db2.gz LLGPUUUQDKVUKI-GFCCVEGCSA-N 0 3 259.374 3.202 20 30 CGEDHN COCC#CCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000681472514 543789237 /nfs/dbraw/zinc/78/92/37/543789237.db2.gz QWEPADONRSTBNZ-UHFFFAOYSA-N 0 3 277.795 3.169 20 30 CGEDHN C[C@H]1CCCCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000334778758 225317687 /nfs/dbraw/zinc/31/76/87/225317687.db2.gz GECGOBAYBYJBAJ-YOEHRIQHSA-N 0 3 295.386 3.032 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000334852030 225337886 /nfs/dbraw/zinc/33/78/86/225337886.db2.gz JXSRKLJNDRALNS-KBXCAEBGSA-N 0 3 290.366 3.472 20 30 CGEDHN C=CCN(C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000681758217 543806450 /nfs/dbraw/zinc/80/64/50/543806450.db2.gz MWHIVGCRXUXQNS-UHFFFAOYSA-N 0 3 281.359 3.451 20 30 CGEDHN CCc1oc2ccccc2c1CN(C)C(=O)C(C)C#N ZINC000347077767 226017700 /nfs/dbraw/zinc/01/77/00/226017700.db2.gz UZSQTZLKQWTDQO-NSHDSACASA-N 0 3 270.332 3.113 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cc(F)ccc1F ZINC000684204433 543971808 /nfs/dbraw/zinc/97/18/08/543971808.db2.gz ATAPYRPUZFMZIX-NSHDSACASA-N 0 3 255.308 3.208 20 30 CGEDHN C=CCOCCN[C@H](C)c1nccc2ccccc21 ZINC000685653718 544092246 /nfs/dbraw/zinc/09/22/46/544092246.db2.gz MVDNYHXNYVYUKT-CYBMUJFWSA-N 0 3 256.349 3.088 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccc(F)cc2F)C1 ZINC000192930809 227391118 /nfs/dbraw/zinc/39/11/18/227391118.db2.gz MEEWGJHIQUDAHL-DGCLKSJQSA-N 0 3 280.318 3.016 20 30 CGEDHN C=C1CCN(CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659910996 419032472 /nfs/dbraw/zinc/03/24/72/419032472.db2.gz YMPCXIAHJAZYSU-OAHLLOKOSA-N 0 3 288.416 3.142 20 30 CGEDHN C=CCCn1cc(CN2CCCC[C@H]2[C@@H](C)CC)nn1 ZINC000653558652 419048292 /nfs/dbraw/zinc/04/82/92/419048292.db2.gz NFTXHGKIGCQYHU-HOCLYGCPSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCN(CCCC(=O)NCC(C)C)Cc1cccs1 ZINC000659816864 418998693 /nfs/dbraw/zinc/99/86/93/418998693.db2.gz VSKYQQJHQBNFOO-UHFFFAOYSA-N 0 3 294.464 3.289 20 30 CGEDHN C=CCC1(C(=O)N(C)CCN2CCCCC2)CCCC1 ZINC000652992316 419008650 /nfs/dbraw/zinc/00/86/50/419008650.db2.gz KPWSRWHAZKZCQB-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=C[C@@H](C)NCc1cn(-c2ccccc2Cl)nc1C ZINC000655748865 419086160 /nfs/dbraw/zinc/08/61/60/419086160.db2.gz MAQDLQYPJZCEPB-LLVKDONJSA-N 0 3 275.783 3.498 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H]1CCCn2ccnc21 ZINC000655777837 419095724 /nfs/dbraw/zinc/09/57/24/419095724.db2.gz ZQUIEUWAIRZZCM-SJORKVTESA-N 0 3 281.403 3.495 20 30 CGEDHN C=C(CN[C@H](C)c1cncnc1C)c1ccccc1 ZINC000655701498 419070500 /nfs/dbraw/zinc/07/05/00/419070500.db2.gz GAAKOVPKRGRUIG-CYBMUJFWSA-N 0 3 253.349 3.149 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@](C)(N)CC)nn1 ZINC000656458118 419173849 /nfs/dbraw/zinc/17/38/49/419173849.db2.gz XYZOUFYBWISIBT-NVXWUHKLSA-N 0 3 284.407 3.222 20 30 CGEDHN C=CCN(Cc1ccc(Cl)c(OC)c1)[C@@H](C)COC ZINC000661240305 419243025 /nfs/dbraw/zinc/24/30/25/419243025.db2.gz NHBVWGTUEWANLC-LBPRGKRZSA-N 0 3 283.799 3.372 20 30 CGEDHN C=CCN(Cc1ccc(SC)c(OC)c1)[C@@H](C)COC ZINC000661243112 419244119 /nfs/dbraw/zinc/24/41/19/419244119.db2.gz JEOQFUAPHOQQMS-ZDUSSCGKSA-N 0 3 295.448 3.440 20 30 CGEDHN C=CCCn1cc(CNC[C@H]2CCCc3ccccc32)nn1 ZINC000657299589 419245997 /nfs/dbraw/zinc/24/59/97/419245997.db2.gz YZTXIMFCGGRSIQ-MRXNPFEDSA-N 0 3 296.418 3.064 20 30 CGEDHN C=C(CNCc1ccnn1CC1CC1)c1ccccc1 ZINC000657334402 419252654 /nfs/dbraw/zinc/25/26/54/419252654.db2.gz YYTQWAMVSVFLFH-UHFFFAOYSA-N 0 3 267.376 3.096 20 30 CGEDHN C[C@H](CO)[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000661432476 419259001 /nfs/dbraw/zinc/25/90/01/419259001.db2.gz BMYPLVYIXOZXRU-PBHICJAKSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCN(CC(=O)N(C)Cc1ccc(F)cc1)C(C)(C)C ZINC000661755120 419295204 /nfs/dbraw/zinc/29/52/04/419295204.db2.gz KIXNDFRZFSCDLJ-UHFFFAOYSA-N 0 3 292.398 3.071 20 30 CGEDHN C=CCN(C[C@@H]1CN(c2ccccc2)CCO1)C(C)(C)C ZINC000661758247 419296068 /nfs/dbraw/zinc/29/60/68/419296068.db2.gz QEDDKBOPDUAIOB-KRWDZBQOSA-N 0 3 288.435 3.178 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)C2(CO)CC2)cc1Cl ZINC000657604313 419312927 /nfs/dbraw/zinc/31/29/27/419312927.db2.gz UUOUQUCCDWZITC-LBPRGKRZSA-N 0 3 295.810 3.155 20 30 CGEDHN C=CCOCCCNCc1ncc(-c2ccccc2)s1 ZINC000657658201 419320402 /nfs/dbraw/zinc/32/04/02/419320402.db2.gz PFFJOKOELSDABD-UHFFFAOYSA-N 0 3 288.416 3.492 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(OC)cc(C)n1 ZINC000662087773 419334890 /nfs/dbraw/zinc/33/48/90/419334890.db2.gz KHPTZAXEHMRVAO-GASCZTMLSA-N 0 3 258.365 3.082 20 30 CGEDHN Cc1cccc2nc(C3CCN(C(=O)C(C)C#N)CC3)oc21 ZINC000336178122 228204342 /nfs/dbraw/zinc/20/43/42/228204342.db2.gz DHVWEFCURGSURT-GFCCVEGCSA-N 0 3 297.358 3.002 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2c1CNC2 ZINC000662601001 419461118 /nfs/dbraw/zinc/46/11/18/419461118.db2.gz IYQXBLXMLVMNNB-CXAGYDPISA-N 0 3 284.403 3.155 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000662600268 419461311 /nfs/dbraw/zinc/46/13/11/419461311.db2.gz FUTBRBYADQKFBW-ZTFGCOKTSA-N 0 3 298.430 3.125 20 30 CGEDHN C=CCCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCC1 ZINC000662849857 419497190 /nfs/dbraw/zinc/49/71/90/419497190.db2.gz JAITWENZQXRBIE-CYBMUJFWSA-N 0 3 266.429 3.003 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1c(OC)cccc1OC ZINC000658120473 419598342 /nfs/dbraw/zinc/59/83/42/419598342.db2.gz IQMOPJKRCWBWOB-STQMWFEESA-N 0 3 263.381 3.394 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000658207054 419657381 /nfs/dbraw/zinc/65/73/81/419657381.db2.gz RWIZIYBMKFTANW-ZDUSSCGKSA-N 0 3 279.428 3.190 20 30 CGEDHN C=CCOCCCN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000658207306 419657529 /nfs/dbraw/zinc/65/75/29/419657529.db2.gz UTJPUGQGERONOZ-OAHLLOKOSA-N 0 3 299.418 3.330 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cc2cnccc2o1 ZINC000658205547 419658389 /nfs/dbraw/zinc/65/83/89/419658389.db2.gz IQJSBIAUCIUJLP-GFCCVEGCSA-N 0 3 260.337 3.071 20 30 CGEDHN C[C@@H](N[C@H](C)c1cccnc1)c1ccc(OCC#N)cc1 ZINC000037228864 260075600 /nfs/dbraw/zinc/07/56/00/260075600.db2.gz SQRZGBGGSNYOPV-ZIAGYGMSSA-N 0 3 281.359 3.396 20 30 CGEDHN C#CC[C@H](N[C@@H]1C[C@H](OCC)[C@H]1SC)c1ccccc1 ZINC000297812796 260135536 /nfs/dbraw/zinc/13/55/36/260135536.db2.gz YHZNZQWSJVTQLH-YVSFHVDLSA-N 0 3 289.444 3.250 20 30 CGEDHN C#CC[C@@H](NCC[C@H](O)c1ccccc1)c1ccccc1 ZINC000298716700 260161557 /nfs/dbraw/zinc/16/15/57/260161557.db2.gz AXSZABQUDRIWKE-MOPGFXCFSA-N 0 3 279.383 3.464 20 30 CGEDHN CN1CCN(CCCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000087608405 260215463 /nfs/dbraw/zinc/21/54/63/260215463.db2.gz JSNNGACXMPIELU-QGZVFWFLSA-N 0 3 285.435 3.305 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1ccc(OC)cc1 ZINC000090450861 260359483 /nfs/dbraw/zinc/35/94/83/260359483.db2.gz XDIUFXYVULZUGP-INIZCTEOSA-N 0 3 263.381 3.329 20 30 CGEDHN C[C@H](NCCCCC#N)c1nc2c(s1)CCCC2 ZINC000093405018 260517519 /nfs/dbraw/zinc/51/75/19/260517519.db2.gz DQWFRURHECCYIQ-NSHDSACASA-N 0 3 263.410 3.366 20 30 CGEDHN CCc1nc2c(s1)[C@H](N(C)CCCC#N)CCC2 ZINC000152687558 261068041 /nfs/dbraw/zinc/06/80/41/261068041.db2.gz LJLNMTIYUSYTOD-GFCCVEGCSA-N 0 3 263.410 3.318 20 30 CGEDHN Cc1ncc(CN(C)CCCC(C)(C)C#N)s1 ZINC000174823096 261197015 /nfs/dbraw/zinc/19/70/15/261197015.db2.gz UWRQNPBLZLOMQG-UHFFFAOYSA-N 0 3 251.399 3.213 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)CCC2CCCC2)CC1 ZINC000106039601 261320562 /nfs/dbraw/zinc/32/05/62/261320562.db2.gz RPCJLABYBQETGQ-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN COc1ccc(CN(C)CCCC(C)(C)C#N)cc1O ZINC000177221105 261340384 /nfs/dbraw/zinc/34/03/84/261340384.db2.gz DRVHAZROIZUKOE-UHFFFAOYSA-N 0 3 276.380 3.163 20 30 CGEDHN CCc1ccc([C@@H](COC)NCCCC(C)(C)C#N)o1 ZINC000184779500 262029459 /nfs/dbraw/zinc/02/94/59/262029459.db2.gz ZILSXZQJEODICQ-CQSZACIVSA-N 0 3 278.396 3.449 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCCOc2cccc(Cl)c2)C1 ZINC000185791501 262071193 /nfs/dbraw/zinc/07/11/93/262071193.db2.gz SKZDFTNOBYBQCQ-GXTWGEPZSA-N 0 3 278.783 3.391 20 30 CGEDHN C[C@@H](NCCCCC#N)c1ccc(Br)cn1 ZINC000336755263 262087323 /nfs/dbraw/zinc/08/73/23/262087323.db2.gz XQCXAULBOBQYQR-SNVBAGLBSA-N 0 3 282.185 3.189 20 30 CGEDHN CN(CCCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000190363728 262182090 /nfs/dbraw/zinc/18/20/90/262182090.db2.gz YGDCOVBSZQLFSU-UHFFFAOYSA-N 0 3 286.297 3.320 20 30 CGEDHN N#CCCCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192022764 262197505 /nfs/dbraw/zinc/19/75/05/262197505.db2.gz CMHZDKVXMKTTIE-UONOGXRCSA-N 0 3 264.756 3.063 20 30 CGEDHN COc1ccc(F)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000193311455 262220498 /nfs/dbraw/zinc/22/04/98/262220498.db2.gz MJZRNYNOZYTBHU-FZMZJTMJSA-N 0 3 262.328 3.006 20 30 CGEDHN N#Cc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000020145345 262231238 /nfs/dbraw/zinc/23/12/38/262231238.db2.gz QARUIZJRFAZIBZ-UHFFFAOYSA-N 0 3 288.297 3.449 20 30 CGEDHN C=CC1CCN(CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000111260437 262258891 /nfs/dbraw/zinc/25/88/91/262258891.db2.gz CSPYHMIZFCPWGZ-OAHLLOKOSA-N 0 3 286.419 3.104 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000188527190 262309647 /nfs/dbraw/zinc/30/96/47/262309647.db2.gz LODISNXPABELMT-QGZVFWFLSA-N 0 3 278.440 3.066 20 30 CGEDHN CC(C)(C#N)CCCN1CCC(Oc2ccccn2)CC1 ZINC000336839354 262399577 /nfs/dbraw/zinc/39/95/77/262399577.db2.gz JXOFIHIXXYYAEB-UHFFFAOYSA-N 0 3 287.407 3.255 20 30 CGEDHN N#CCCCNCc1ccccc1OC1CCCC1 ZINC000273093211 263012545 /nfs/dbraw/zinc/01/25/45/263012545.db2.gz TUBVZLDFTLKRQC-UHFFFAOYSA-N 0 3 258.365 3.401 20 30 CGEDHN CCC[C@H](NCCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000273256082 263014432 /nfs/dbraw/zinc/01/44/32/263014432.db2.gz LVJXRPDKLMKSQW-AWEZNQCLSA-N 0 3 261.325 3.329 20 30 CGEDHN C[C@@H](NC1CC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000277156586 263039846 /nfs/dbraw/zinc/03/98/46/263039846.db2.gz QQYKNWSNFSVDAM-SNVBAGLBSA-N 0 3 266.291 3.037 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000278211368 263045803 /nfs/dbraw/zinc/04/58/03/263045803.db2.gz HSXDLPXSACRCGT-ZENOOKHLSA-N 0 3 297.402 3.304 20 30 CGEDHN C[C@@H](NCCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000278866187 263051328 /nfs/dbraw/zinc/05/13/28/263051328.db2.gz SIIRMQGRSOQZFT-CYBMUJFWSA-N 0 3 285.395 3.100 20 30 CGEDHN CCN(CCCC1(C#N)CCOCC1)Cc1ccccn1 ZINC000282119029 263074486 /nfs/dbraw/zinc/07/44/86/263074486.db2.gz XRSZNMFGWCDIKA-UHFFFAOYSA-N 0 3 287.407 3.004 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)c1OC ZINC000285930289 263096595 /nfs/dbraw/zinc/09/65/95/263096595.db2.gz CVOUQYWAKJZUDI-MELADBBJSA-N 0 3 288.391 3.355 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)C(C)(C)OC ZINC000340239455 263099261 /nfs/dbraw/zinc/09/92/61/263099261.db2.gz OQBOURUJFSRNLW-CYBMUJFWSA-N 0 3 263.381 3.155 20 30 CGEDHN CN(C)C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000286982352 263100443 /nfs/dbraw/zinc/10/04/43/263100443.db2.gz JBQHBUASJLNAPC-XKQJLSEDSA-N 0 3 289.398 3.100 20 30 CGEDHN Cc1cccnc1OC1CCN(CCC(C)(C)C#N)CC1 ZINC000289337613 263109338 /nfs/dbraw/zinc/10/93/38/263109338.db2.gz FKUQUIFNFZTHFM-UHFFFAOYSA-N 0 3 287.407 3.173 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000289493289 263110626 /nfs/dbraw/zinc/11/06/26/263110626.db2.gz BRBPUKJZJWWAPX-IUODEOHRSA-N 0 3 290.407 3.225 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](n2cccn2)C1 ZINC000291814564 263125720 /nfs/dbraw/zinc/12/57/20/263125720.db2.gz NOYXIDUADYDLJW-MRXNPFEDSA-N 0 3 294.402 3.131 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@H]1OCCc2sccc21 ZINC000291998415 263127230 /nfs/dbraw/zinc/12/72/30/263127230.db2.gz XKXZRSMNLHXSBH-FUTJPDQTSA-N 0 3 276.405 3.032 20 30 CGEDHN N#CCCOCCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000293293272 263139248 /nfs/dbraw/zinc/13/92/48/263139248.db2.gz YZVIJTMQRCQRMQ-CQSZACIVSA-N 0 3 278.783 3.060 20 30 CGEDHN C[C@H](NCCOCCC#N)c1ccc(-c2cccnc2)cc1 ZINC000294616116 263164624 /nfs/dbraw/zinc/16/46/24/263164624.db2.gz OKUXGUQZXUAAGU-HNNXBMFYSA-N 0 3 295.386 3.329 20 30 CGEDHN CC[C@@H](CC#N)NC[C@H](C)c1cc(F)cc(F)c1 ZINC000294975365 263170304 /nfs/dbraw/zinc/17/03/04/263170304.db2.gz FWPDBQNOJHJGDX-HZMBPMFUSA-N 0 3 252.308 3.350 20 30 CGEDHN CS[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000296357747 263190801 /nfs/dbraw/zinc/19/08/01/263190801.db2.gz QRSWPFNPFNFLSX-CQSZACIVSA-N 0 3 274.433 3.425 20 30 CGEDHN C[C@H](CCC#N)N1CCN(c2ccnc3ccccc32)CC1 ZINC000298526305 263221486 /nfs/dbraw/zinc/22/14/86/263221486.db2.gz LULKDWIZINWVGD-OAHLLOKOSA-N 0 3 294.402 3.049 20 30 CGEDHN CCCOc1ccc(/C=N/C2CC[NH+](CC)CC2)c([O-])c1 ZINC000299266974 263236985 /nfs/dbraw/zinc/23/69/85/263236985.db2.gz JUXKARWGDFFLOK-QGOAFFKASA-N 0 3 290.407 3.084 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](CC)c1cc(F)ccc1F ZINC000453338174 263241578 /nfs/dbraw/zinc/24/15/78/263241578.db2.gz CDYXYEUDPBDYCU-SWLSCSKDSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000341431573 263338137 /nfs/dbraw/zinc/33/81/37/263338137.db2.gz HAXSORWOISJPBP-LLVKDONJSA-N 0 3 293.313 3.251 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H]1C[C@@H](C)Sc2sccc21 ZINC000341885266 263362843 /nfs/dbraw/zinc/36/28/43/263362843.db2.gz LUERGYQZUMLCIJ-NTZNESFSSA-N 0 3 283.462 3.448 20 30 CGEDHN COCC1(C#N)CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000341988595 263381314 /nfs/dbraw/zinc/38/13/14/263381314.db2.gz JDHWRYSNYQQROO-QGZVFWFLSA-N 0 3 284.403 3.316 20 30 CGEDHN C=CCN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000075935714 264334791 /nfs/dbraw/zinc/33/47/91/264334791.db2.gz SOXDDUXJMXRNLG-OAHLLOKOSA-N 0 3 287.407 3.015 20 30 CGEDHN C=CCN1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425479706 264348098 /nfs/dbraw/zinc/34/80/98/264348098.db2.gz QJFGNUYPKSFYCU-ZDUSSCGKSA-N 0 3 253.386 3.149 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000132024588 264377556 /nfs/dbraw/zinc/37/75/56/264377556.db2.gz CHBYRCMLTWUUMN-UHFFFAOYSA-N 0 3 292.448 3.251 20 30 CGEDHN C=CCCOCCN[C@H](c1cccnc1)C1CCC1 ZINC000280451026 264446226 /nfs/dbraw/zinc/44/62/26/264446226.db2.gz DKKXIAKJZIOXMB-INIZCTEOSA-N 0 3 260.381 3.105 20 30 CGEDHN C#Cc1ccc(CNCc2ccccc2COCC)cc1 ZINC000289262391 264711903 /nfs/dbraw/zinc/71/19/03/264711903.db2.gz MUPPFPHXZMDAON-UHFFFAOYSA-N 0 3 279.383 3.494 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000035256619 270027578 /nfs/dbraw/zinc/02/75/78/270027578.db2.gz XCNWLKZSAOZFNK-LBPRGKRZSA-N 0 3 280.327 3.138 20 30 CGEDHN CC(C#N)C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000334630960 265066636 /nfs/dbraw/zinc/06/66/36/265066636.db2.gz LYWOYKTWEQCSCN-GFCCVEGCSA-N 0 3 276.339 3.374 20 30 CGEDHN C[C@H]1CCCC[C@H]1OCCN1CCC(C)(C#N)CC1 ZINC000356451444 266117416 /nfs/dbraw/zinc/11/74/16/266117416.db2.gz GUUQGPUREIKYSX-LSDHHAIUSA-N 0 3 264.413 3.207 20 30 CGEDHN CCC[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)OCC ZINC000527934576 267032438 /nfs/dbraw/zinc/03/24/38/267032438.db2.gz SQJUIJXGCBLJJK-RDJZCZTQSA-N 0 3 272.392 3.340 20 30 CGEDHN COc1cccc(F)c1[C@H](C)NCCCCC#N ZINC000118966480 267282015 /nfs/dbraw/zinc/28/20/15/267282015.db2.gz ONIDQSWMDIWIOA-NSHDSACASA-N 0 3 250.317 3.179 20 30 CGEDHN CCCCCCCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000119126169 267302661 /nfs/dbraw/zinc/30/26/61/267302661.db2.gz KVUYRFLARRVQMN-JKSUJKDBSA-N 0 3 280.456 3.290 20 30 CGEDHN C[C@H](CCc1ccccc1F)NCC1(C#N)CCC1 ZINC000418136044 267367262 /nfs/dbraw/zinc/36/72/62/267367262.db2.gz BXAVNQFWVNLKKO-CYBMUJFWSA-N 0 3 260.356 3.430 20 30 CGEDHN N#Cc1cc(CN[C@H](c2cccnc2)C2CC2)ccc1F ZINC000526084705 268180180 /nfs/dbraw/zinc/18/01/80/268180180.db2.gz PTIZASRRXBGCPT-KRWDZBQOSA-N 0 3 281.334 3.333 20 30 CGEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)c(C)s1 ZINC000532376637 270215858 /nfs/dbraw/zinc/21/58/58/270215858.db2.gz VAYSFJPKJCOUGB-UHFFFAOYSA-N 0 3 286.400 3.405 20 30 CGEDHN COC[C@@]1(C)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000296571960 274046824 /nfs/dbraw/zinc/04/68/24/274046824.db2.gz DETSGTMHZJGGEZ-INIZCTEOSA-N 0 3 277.795 3.050 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(F)cc1Cl ZINC000186711205 275433455 /nfs/dbraw/zinc/43/34/55/275433455.db2.gz JBINWADUWNEMTM-ONGXEEELSA-N 0 3 257.736 3.067 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](CC)c1ccccc1OC(F)F ZINC000186707347 277888833 /nfs/dbraw/zinc/88/88/33/277888833.db2.gz NHMMKACGDNIWIA-YPMHNXCESA-N 0 3 285.334 3.266 20 30 CGEDHN C[C@@H](CN1CCCCC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358570634 278253974 /nfs/dbraw/zinc/25/39/74/278253974.db2.gz NLFAAKKWABSNAY-KBPBESRZSA-N 0 3 289.398 3.222 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)CC2(CCCC2)O1 ZINC000336440909 278340657 /nfs/dbraw/zinc/34/06/57/278340657.db2.gz BZDLMYFEVGXSLA-ZIAGYGMSSA-N 0 3 262.397 3.102 20 30 CGEDHN CC(C)[C@@]1(CO)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000292928982 280130606 /nfs/dbraw/zinc/13/06/06/280130606.db2.gz CIMQZIHGEURBPF-YJBOKZPZSA-N 0 3 286.419 3.350 20 30 CGEDHN N#Cc1cnn2cc(CNCCCC3CCCCC3)cnc12 ZINC000549761817 289052648 /nfs/dbraw/zinc/05/26/48/289052648.db2.gz UUVURLPTPCRXRA-UHFFFAOYSA-N 0 3 297.406 3.051 20 30 CGEDHN N#Cc1cccnc1N(CCN1CCCCCC1)C1CCC1 ZINC000359980242 303208348 /nfs/dbraw/zinc/20/83/48/303208348.db2.gz BKQXAOGDZLTXJC-UHFFFAOYSA-N 0 3 298.434 3.188 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540152974 327769948 /nfs/dbraw/zinc/76/99/48/327769948.db2.gz YCPBPCTWGWLSIH-ZDUSSCGKSA-N 0 3 278.352 3.147 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CS[C@H](C)C1 ZINC000397731155 327914545 /nfs/dbraw/zinc/91/45/45/327914545.db2.gz AFDOIBBBOAGPDD-TZMCWYRMSA-N 0 3 263.406 3.235 20 30 CGEDHN C=C(CC)CN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000337503037 327955906 /nfs/dbraw/zinc/95/59/06/327955906.db2.gz XCWOWICDAPBIPR-KRWDZBQOSA-N 0 3 282.387 3.145 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274196143 328209405 /nfs/dbraw/zinc/20/94/05/328209405.db2.gz JHZCHBMLJRHBHJ-GZBFAFLISA-N 0 3 258.365 3.428 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000274638612 328212232 /nfs/dbraw/zinc/21/22/32/328212232.db2.gz QQIRXGKGONGLJS-CFVMTHIKSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)[C@@]1(C)CCCO1 ZINC000340240038 328250179 /nfs/dbraw/zinc/25/01/79/328250179.db2.gz QQUKDYHTNMVVMJ-RHSMWYFYSA-N 0 3 275.392 3.299 20 30 CGEDHN N#CCCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000293165054 328274507 /nfs/dbraw/zinc/27/45/07/328274507.db2.gz VAULMXNKASVECD-AWEZNQCLSA-N 0 3 264.756 3.097 20 30 CGEDHN CCC[C@H](C)[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000563263427 321987128 /nfs/dbraw/zinc/98/71/28/321987128.db2.gz GASWKCYGPOPZJJ-HWWQOWPSSA-N 0 3 278.371 3.145 20 30 CGEDHN Cc1cccc(CCNC2(c3cccc(C#N)c3)CC2)n1 ZINC000564445523 322031184 /nfs/dbraw/zinc/03/11/84/322031184.db2.gz BDFAXBVQIIBUBD-UHFFFAOYSA-N 0 3 277.371 3.083 20 30 CGEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565042788 322056457 /nfs/dbraw/zinc/05/64/57/322056457.db2.gz AUVQYJGRYKQUNF-AWEZNQCLSA-N 0 3 287.363 3.334 20 30 CGEDHN CCC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000565159543 322063644 /nfs/dbraw/zinc/06/36/44/322063644.db2.gz ZLROVVLSBJPDKX-HNNXBMFYSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)[C@@H]2CCCC[C@@H]12 ZINC000565750924 322089578 /nfs/dbraw/zinc/08/95/78/322089578.db2.gz LMNRBLFXDIPURL-XOKHGSTOSA-N 0 3 271.408 3.297 20 30 CGEDHN CC[C@H](NCCOC(C)(C)C)c1ccc(C#N)cc1 ZINC000569072569 322233795 /nfs/dbraw/zinc/23/37/95/322233795.db2.gz YCOFUNGXVYYQPL-HNNXBMFYSA-N 0 3 260.381 3.414 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)CCC1CCOCC1 ZINC000120537906 328344343 /nfs/dbraw/zinc/34/43/43/328344343.db2.gz CCMCWZDDLNDURU-UHFFFAOYSA-N 0 3 291.822 3.440 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000303577912 328354235 /nfs/dbraw/zinc/35/42/35/328354235.db2.gz OCGPGJCKLGVDFF-SFHVURJKSA-N 0 3 290.451 3.233 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2ncc(C)s2)CC1 ZINC000340844536 328400506 /nfs/dbraw/zinc/40/05/06/328400506.db2.gz YDOAMQXMEKSDBI-CYBMUJFWSA-N 0 3 279.453 3.318 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000341443236 328408663 /nfs/dbraw/zinc/40/86/63/328408663.db2.gz VBNPWBKRWWOZNV-IHRRRGAJSA-N 0 3 276.428 3.256 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(OC)ccc1OCOC ZINC000293074114 328543095 /nfs/dbraw/zinc/54/30/95/328543095.db2.gz VRLFXJUAMMHPPM-UHFFFAOYSA-N 0 3 293.407 3.370 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cncc(Br)c1 ZINC000583945755 326805222 /nfs/dbraw/zinc/80/52/22/326805222.db2.gz FPKCXZGVAYYEGC-GBIKHYSHSA-N 0 3 294.196 3.187 20 30 CGEDHN C[C@@H](CO)N(CC#Cc1ccccc1Cl)C1CCCC1 ZINC000558115731 327074654 /nfs/dbraw/zinc/07/46/54/327074654.db2.gz SLYRPCBHRWRXMQ-AWEZNQCLSA-N 0 3 291.822 3.317 20 30 CGEDHN CN(CCCSCC#N)CCOc1cccc(Cl)c1 ZINC000074980426 327122550 /nfs/dbraw/zinc/12/25/50/327122550.db2.gz KITQLALEFCMGMV-UHFFFAOYSA-N 0 3 298.839 3.297 20 30 CGEDHN COc1ccc([C@@H](C)NCC#Cc2ccccc2)cc1 ZINC000090340049 327147216 /nfs/dbraw/zinc/14/72/16/327147216.db2.gz PEJMGZGKVJWYLA-OAHLLOKOSA-N 0 3 265.356 3.398 20 30 CGEDHN C=CCCCCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000569543791 327196076 /nfs/dbraw/zinc/19/60/76/327196076.db2.gz KNPRHENBILPWML-ZDUSSCGKSA-N 0 3 279.346 3.368 20 30 CGEDHN C[C@@H](N[C@@H](CO)C1CCCC1)c1ccc(C#N)cc1Cl ZINC000584261723 327203759 /nfs/dbraw/zinc/20/37/59/327203759.db2.gz RJEWGXUTRANVMD-BZNIZROVSA-N 0 3 292.810 3.413 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000152511711 327279338 /nfs/dbraw/zinc/27/93/38/327279338.db2.gz VLUNZGKLJOVIGF-AWEZNQCLSA-N 0 3 299.336 3.283 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](C)[C@@H](OC)C2CC2)c1 ZINC000449632260 327398073 /nfs/dbraw/zinc/39/80/73/327398073.db2.gz QWFSADKLIDAZSD-SUMWQHHRSA-N 0 3 275.392 3.155 20 30 CGEDHN C=C(C)CN(C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418338020 329160950 /nfs/dbraw/zinc/16/09/50/329160950.db2.gz YTVXOONYOYFTBV-INIZCTEOSA-N 0 3 289.423 3.027 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000175273383 329166403 /nfs/dbraw/zinc/16/64/03/329166403.db2.gz DWKWTKIHIFRVRE-KRWDZBQOSA-N 0 3 286.419 3.124 20 30 CGEDHN C[C@@H](N(C)Cc1ccc(C#N)cc1[N+](=O)[O-])C1(C)CC1 ZINC000582908065 329286643 /nfs/dbraw/zinc/28/66/43/329286643.db2.gz RPDGFFWPFSINIM-LLVKDONJSA-N 0 3 273.336 3.087 20 30 CGEDHN CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185778676 329331609 /nfs/dbraw/zinc/33/16/09/329331609.db2.gz ZGTFRICKDWVBKV-GDBMZVCRSA-N 0 3 286.423 3.100 20 30 CGEDHN C=CCOCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000336809096 330063721 /nfs/dbraw/zinc/06/37/21/330063721.db2.gz TUCNOPFGHXADQS-CYBMUJFWSA-N 0 3 273.298 3.472 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274984452 330108530 /nfs/dbraw/zinc/10/85/30/330108530.db2.gz ZRXMMZPZRZSULO-LBPRGKRZSA-N 0 3 279.815 3.036 20 30 CGEDHN C[C@H](Nc1cccc(OCCCC#N)c1)c1cnccc1N ZINC000423028441 330165932 /nfs/dbraw/zinc/16/59/32/330165932.db2.gz QQYKRGUBRNGUCG-ZDUSSCGKSA-N 0 3 296.374 3.350 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H]1CCc2c1c(F)ccc2F ZINC000424111243 330239490 /nfs/dbraw/zinc/23/94/90/330239490.db2.gz AARVUYKYYOAICK-LKTVYLICSA-N 0 3 279.330 3.133 20 30 CGEDHN C=CC[C@H](CC)NCc1ncc(Br)cc1F ZINC000527703074 330275332 /nfs/dbraw/zinc/27/53/32/330275332.db2.gz JRSZZHAXYCSZII-JTQLQIEISA-N 0 3 287.176 3.428 20 30 CGEDHN C=CCn1cc(CNC[C@H](CCC)c2ccccc2)nn1 ZINC000424176174 330316339 /nfs/dbraw/zinc/31/63/39/330316339.db2.gz WUECVGGLLHEBCF-INIZCTEOSA-N 0 3 284.407 3.138 20 30 CGEDHN Cc1cccc(-c2n[nH]cc2CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424205910 330327670 /nfs/dbraw/zinc/32/76/70/330327670.db2.gz WKLIHSBEXASPPX-XJKSGUPXSA-N 0 3 280.375 3.167 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000106035181 330331273 /nfs/dbraw/zinc/33/12/73/330331273.db2.gz VQSPFFRNGJEBJX-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC ZINC000424324945 330341233 /nfs/dbraw/zinc/34/12/33/330341233.db2.gz KLAXFPJVLZCNIY-GZBFAFLISA-N 0 3 258.365 3.428 20 30 CGEDHN Cc1c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1C(C)C ZINC000424327618 330341634 /nfs/dbraw/zinc/34/16/34/330341634.db2.gz NBJAJJHPQMWVKY-FPMFFAJLSA-N 0 3 260.385 3.115 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000424329602 330341975 /nfs/dbraw/zinc/34/19/75/330341975.db2.gz PPBRHFRCWQUMEV-LNSITVRQSA-N 0 3 274.339 3.321 20 30 CGEDHN CCOc1ccccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424330019 330342045 /nfs/dbraw/zinc/34/20/45/330342045.db2.gz PZTFTWAQCFDEJO-HZSPNIEDSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CCC[C@@H](CC)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000424330367 330342202 /nfs/dbraw/zinc/34/22/02/330342202.db2.gz QJFPEMVHICWORF-WDEREUQCSA-N 0 3 282.409 3.325 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424331214 330342250 /nfs/dbraw/zinc/34/22/50/330342250.db2.gz JEEFFAMCQNZJNZ-VXGBXAGGSA-N 0 3 283.799 3.326 20 30 CGEDHN C=CCN(C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000121171069 330396831 /nfs/dbraw/zinc/39/68/31/330396831.db2.gz HSQCCDDHORQTRV-UHFFFAOYSA-N 0 3 286.297 3.152 20 30 CGEDHN N#CCC1(CNCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000430003186 330557036 /nfs/dbraw/zinc/55/70/36/330557036.db2.gz IEQKLSDNZMCNIC-UHFFFAOYSA-N 0 3 298.308 3.411 20 30 CGEDHN C=C(CNCc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000440820559 330756959 /nfs/dbraw/zinc/75/69/59/330756959.db2.gz LLKVAYORPVOQMB-UHFFFAOYSA-N 0 3 281.281 3.232 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000442714567 330780432 /nfs/dbraw/zinc/78/04/32/330780432.db2.gz KCDBFBOLNLMCDJ-DOTOQJQBSA-N 0 3 298.434 3.244 20 30 CGEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442782100 330782676 /nfs/dbraw/zinc/78/26/76/330782676.db2.gz PLYKFFNHZHODPZ-OFQRWUPVSA-N 0 3 299.418 3.453 20 30 CGEDHN CCc1nc(CNC2CCC(C)(C#N)CC2)cs1 ZINC000449119813 330900130 /nfs/dbraw/zinc/90/01/30/330900130.db2.gz BBBGDUUODBKPDN-UHFFFAOYSA-N 0 3 263.410 3.268 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc(F)c(Cl)c2)C1 ZINC000449401635 330922661 /nfs/dbraw/zinc/92/26/61/330922661.db2.gz NMYLTHPMBXMUTN-WDEREUQCSA-N 0 3 282.746 3.140 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2cc(F)ccc2o1 ZINC000449520140 330933380 /nfs/dbraw/zinc/93/33/80/330933380.db2.gz OIKVEXZSDWVIRA-KGLIPLIRSA-N 0 3 261.296 3.005 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)cc(C(F)(F)F)c1 ZINC000449523145 330933827 /nfs/dbraw/zinc/93/38/27/330933827.db2.gz WRUZIYZIDORTQJ-OLZOCXBDSA-N 0 3 289.272 3.278 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449548693 330935764 /nfs/dbraw/zinc/93/57/64/330935764.db2.gz PTOUUNITGYZSHW-AGIUHOORSA-N 0 3 297.320 3.414 20 30 CGEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCC2)C12CCCCC2 ZINC000450846344 331002443 /nfs/dbraw/zinc/00/24/43/331002443.db2.gz MCGATHVFEJUFBJ-GJZGRUSLSA-N 0 3 276.424 3.398 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCCC1 ZINC000451200025 331020231 /nfs/dbraw/zinc/02/02/31/331020231.db2.gz GASIEXRDCQJHCE-MRXNPFEDSA-N 0 3 290.451 3.256 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2ccc(Cl)cc21 ZINC000451610687 331036836 /nfs/dbraw/zinc/03/68/36/331036836.db2.gz UDAIUNDQZGYUKD-KFWWJZLASA-N 0 3 263.768 3.260 20 30 CGEDHN CC(C)(C#N)CCCN1CCOCC12CCCCC2 ZINC000451817152 331043641 /nfs/dbraw/zinc/04/36/41/331043641.db2.gz QVBBFSNEXSSNGK-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN C=C(C)CN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451910830 331047124 /nfs/dbraw/zinc/04/71/24/331047124.db2.gz MXOPZDHLDASPEA-CYBMUJFWSA-N 0 3 274.191 3.367 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1sc(C)nc1C ZINC000163513750 331049739 /nfs/dbraw/zinc/04/97/39/331049739.db2.gz MGBWLLLWPUTAPE-SNVBAGLBSA-N 0 3 254.399 3.003 20 30 CGEDHN C[C@@H](Cc1cnccn1)N[C@@H](CCC#N)c1ccccc1 ZINC000453163273 331095901 /nfs/dbraw/zinc/09/59/01/331095901.db2.gz CVJNTYSVJCOUFA-YOEHRIQHSA-N 0 3 280.375 3.042 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2c(O)cccc21 ZINC000453337032 331118673 /nfs/dbraw/zinc/11/86/73/331118673.db2.gz GFNXIGXVUCWNGM-INMHGKMJSA-N 0 3 273.376 3.093 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000453340867 331119048 /nfs/dbraw/zinc/11/90/48/331119048.db2.gz CTDMBUUDQTYCPT-YUELXQCFSA-N 0 3 291.391 3.006 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000453356743 331121685 /nfs/dbraw/zinc/12/16/85/331121685.db2.gz NISUGMANHOCYDD-GXSJLCMTSA-N 0 3 273.298 3.082 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000453360027 331122322 /nfs/dbraw/zinc/12/23/22/331122322.db2.gz PTUVLRCMWRSYEH-FZZIBODNSA-N 0 3 285.309 3.488 20 30 CGEDHN C=CC(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000456115568 331184505 /nfs/dbraw/zinc/18/45/05/331184505.db2.gz KVSQCMQICVOYJM-OAHLLOKOSA-N 0 3 270.376 3.087 20 30 CGEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000456168313 331186056 /nfs/dbraw/zinc/18/60/56/331186056.db2.gz OEWPVRLQWOOBCS-OAHLLOKOSA-N 0 3 284.403 3.454 20 30 CGEDHN N#CCc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000456744292 331199756 /nfs/dbraw/zinc/19/97/56/331199756.db2.gz GRFRTJWASYHBNK-KRWDZBQOSA-N 0 3 297.402 3.098 20 30 CGEDHN CC(C)[C@]1(C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000458108080 331243056 /nfs/dbraw/zinc/24/30/56/331243056.db2.gz DZZXGFDVLFDVPM-NUJGCVRESA-N 0 3 284.403 3.310 20 30 CGEDHN COCCCOc1cccc(CNCC(C)(C)CC#N)c1 ZINC000459683439 331292876 /nfs/dbraw/zinc/29/28/76/331292876.db2.gz BYWCNRGXBKSCKT-UHFFFAOYSA-N 0 3 290.407 3.131 20 30 CGEDHN COc1cc2c(c(CNCC(C)(C)CC#N)c1)O[C@H](C)C2 ZINC000459690788 331294685 /nfs/dbraw/zinc/29/46/85/331294685.db2.gz JUGPDAHKJMAQSU-GFCCVEGCSA-N 0 3 288.391 3.048 20 30 CGEDHN C=CC1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000480528841 331776297 /nfs/dbraw/zinc/77/62/97/331776297.db2.gz OQXFCJMJWZIDMW-UHFFFAOYSA-N 0 3 257.377 3.466 20 30 CGEDHN C=C[C@H]1CCCCN1CCCOc1ccc2c(c1)OCO2 ZINC000489428568 332051406 /nfs/dbraw/zinc/05/14/06/332051406.db2.gz OTAMQKNKFWPWAX-AWEZNQCLSA-N 0 3 289.375 3.225 20 30 CGEDHN Cc1ccc([C@H]2C[C@H](C)N(CC3(C#N)CC3)C2)cc1 ZINC000490073660 332080114 /nfs/dbraw/zinc/08/01/14/332080114.db2.gz RCBZGRMSYGKTDX-HOCLYGCPSA-N 0 3 254.377 3.477 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@H](C3CC3)C2)cc1 ZINC000491108560 332150678 /nfs/dbraw/zinc/15/06/78/332150678.db2.gz HEWJIZVQCPGNNQ-OAHLLOKOSA-N 0 3 259.780 3.423 20 30 CGEDHN C#C[C@H](CCC)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000491803624 332357626 /nfs/dbraw/zinc/35/76/26/332357626.db2.gz JLSIMUZCUKKFEM-CYBMUJFWSA-N 0 3 298.386 3.026 20 30 CGEDHN C=CCN1CC[C@@H](NC2(c3ccccc3)CCCCC2)C1=O ZINC000499563088 332588543 /nfs/dbraw/zinc/58/85/43/332588543.db2.gz KREXPAXPGZWRPW-QGZVFWFLSA-N 0 3 298.430 3.223 20 30 CGEDHN C=CCCCCNC(=O)N(CCC)CCN1CCCCC1 ZINC000502171158 332649810 /nfs/dbraw/zinc/64/98/10/332649810.db2.gz GUCSUGHSOUAZFK-UHFFFAOYSA-N 0 3 295.471 3.250 20 30 CGEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000513192992 333007634 /nfs/dbraw/zinc/00/76/34/333007634.db2.gz WKYSUERYAGOFHO-CQSZACIVSA-N 0 3 275.355 3.265 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000175096705 333014875 /nfs/dbraw/zinc/01/48/75/333014875.db2.gz MEODPDIHXWGCLO-KRWDZBQOSA-N 0 3 288.435 3.324 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000517491020 333100582 /nfs/dbraw/zinc/10/05/82/333100582.db2.gz JZJWHNGXQJTCPW-HONMWMINSA-N 0 3 298.308 3.021 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1nc2cc(OC)ccc2n1C ZINC000186535452 333162422 /nfs/dbraw/zinc/16/24/22/333162422.db2.gz HTECCCLBPVIDDG-OLZOCXBDSA-N 0 3 287.407 3.272 20 30 CGEDHN C=CCN(CC)CCOc1ccc(Br)cc1 ZINC000195733056 333262504 /nfs/dbraw/zinc/26/25/04/333262504.db2.gz HQLJSUGIAKTFQG-UHFFFAOYSA-N 0 3 284.197 3.336 20 30 CGEDHN C=C(C)COCCNCc1ccc(OC(C)C)c(OC)c1 ZINC000125799346 333573685 /nfs/dbraw/zinc/57/36/85/333573685.db2.gz FKEMVCSAVGXGIA-UHFFFAOYSA-N 0 3 293.407 3.165 20 30 CGEDHN C=CC1CCN(Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000539830075 333696141 /nfs/dbraw/zinc/69/61/41/333696141.db2.gz OEUUPDKUABCRQU-CYBMUJFWSA-N 0 3 287.403 3.417 20 30 CGEDHN C=C(C)COc1cc(CNCC(C)(C)OC)ccc1OC ZINC000174597295 335160035 /nfs/dbraw/zinc/16/00/35/335160035.db2.gz CYXYMZMRTVWPRO-UHFFFAOYSA-N 0 3 293.407 3.165 20 30 CGEDHN C[C@]1(NCC#Cc2ccccc2Cl)CCO[C@H]1C1CC1 ZINC000544179607 333919853 /nfs/dbraw/zinc/91/98/53/333919853.db2.gz UNTDSEQGCQTUIF-IRXDYDNUSA-N 0 3 289.806 3.239 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000564276916 333923874 /nfs/dbraw/zinc/92/38/74/333923874.db2.gz KHCWJCQOLXIKTN-HUUCEWRRSA-N 0 3 258.340 3.355 20 30 CGEDHN C=CCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000132925009 334010445 /nfs/dbraw/zinc/01/04/45/334010445.db2.gz XFTHWZMXUWNSGY-UHFFFAOYSA-N 0 3 264.344 3.051 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000133815504 334059714 /nfs/dbraw/zinc/05/97/14/334059714.db2.gz ITIORXJZQQIHCR-UONOGXRCSA-N 0 3 295.427 3.058 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000549831485 334206179 /nfs/dbraw/zinc/20/61/79/334206179.db2.gz YKOLWSXQMFRFPU-VNHYZAJKSA-N 0 3 298.365 3.354 20 30 CGEDHN CCO[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248747099 334315656 /nfs/dbraw/zinc/31/56/56/334315656.db2.gz BFCCUCCDEFGSFK-HYVNUMGLSA-N 0 3 272.392 3.436 20 30 CGEDHN C=CCCCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000552459871 334328736 /nfs/dbraw/zinc/32/87/36/334328736.db2.gz OFMDRVUMVHGBCR-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCOCCNC1(c2ccc(Br)cc2)CC1 ZINC000555421106 334478129 /nfs/dbraw/zinc/47/81/29/334478129.db2.gz VEKKXRWLIYBCEG-UHFFFAOYSA-N 0 3 296.208 3.230 20 30 CGEDHN C=C(CC)CNC1(c2ccc(F)cc2)CCOCC1 ZINC000576690546 335235107 /nfs/dbraw/zinc/23/51/07/335235107.db2.gz QVQIXPRABZQTJM-UHFFFAOYSA-N 0 3 263.356 3.387 20 30 CGEDHN CCS[C@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000176982795 335351604 /nfs/dbraw/zinc/35/16/04/335351604.db2.gz VAYAJLMBUMNCMU-FZMZJTMJSA-N 0 3 264.394 3.305 20 30 CGEDHN N#CCCC1CCN(CCOc2ccccc2F)CC1 ZINC000578885689 335685505 /nfs/dbraw/zinc/68/55/05/335685505.db2.gz HMXARBSZXIDRAR-UHFFFAOYSA-N 0 3 276.355 3.220 20 30 CGEDHN COc1ccc(C[C@H](C)CN2CCC(C#N)CC2)cc1F ZINC000185243131 335949214 /nfs/dbraw/zinc/94/92/14/335949214.db2.gz HTOJPTNXZWVFHD-ZDUSSCGKSA-N 0 3 290.382 3.248 20 30 CGEDHN COc1cc(CNCCOc2ccccc2C)ccc1C#N ZINC000440801468 533875394 /nfs/dbraw/zinc/87/53/94/533875394.db2.gz PFPHZXWDTSUYTB-UHFFFAOYSA-N 0 3 296.370 3.044 20 30 CGEDHN C[C@H](O)CC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358575419 534051989 /nfs/dbraw/zinc/05/19/89/534051989.db2.gz SPHPZDMJOASDRD-RYUDHWBXSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H](CNc1c(C#N)cccc1C#N)N1CCCC[C@H]1C ZINC000436309475 534088241 /nfs/dbraw/zinc/08/82/41/534088241.db2.gz SGDWULPPPFSTAA-KGLIPLIRSA-N 0 3 282.391 3.105 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000347067546 534284698 /nfs/dbraw/zinc/28/46/98/534284698.db2.gz KYEDNQDPRHAZQN-RNCFNFMXSA-N 0 3 262.740 3.067 20 30 CGEDHN C=CC[C@H](CO)NCc1cnc(-c2ccc(C)cc2)s1 ZINC000184272501 519119757 /nfs/dbraw/zinc/11/97/57/519119757.db2.gz IXFGQOQANBCYIQ-CQSZACIVSA-N 0 3 288.416 3.145 20 30 CGEDHN CC[C@@H](CNCc1ccc(C#N)o1)Oc1cccc(F)c1 ZINC000084674776 522547890 /nfs/dbraw/zinc/54/78/90/522547890.db2.gz GEJOBDWZDRAUAF-ZDUSSCGKSA-N 0 3 288.322 3.238 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccc(F)cc2F)C1 ZINC000192930777 534748660 /nfs/dbraw/zinc/74/86/60/534748660.db2.gz MEEWGJHIQUDAHL-WCQYABFASA-N 0 3 280.318 3.016 20 30 CGEDHN C=CCN(CC[C@H](C)F)Cc1ccc(OC)cc1 ZINC000351909569 526307809 /nfs/dbraw/zinc/30/78/09/526307809.db2.gz OMSVIOLYJYUWSS-ZDUSSCGKSA-N 0 3 251.345 3.431 20 30 CGEDHN C=CC[N@@H+](CCc1ccccc1)Cc1nc(C)ccc1[O-] ZINC000352753308 526314056 /nfs/dbraw/zinc/31/40/56/526314056.db2.gz DJWZBUPQUICTMR-UHFFFAOYSA-N 0 3 282.387 3.326 20 30 CGEDHN C=CC[N@H+](CCc1ccccc1)Cc1nc(C)ccc1[O-] ZINC000352753308 526314065 /nfs/dbraw/zinc/31/40/65/526314065.db2.gz DJWZBUPQUICTMR-UHFFFAOYSA-N 0 3 282.387 3.326 20 30 CGEDHN C=C(C)CNCc1ccc(OC)cc1OCc1cccnc1 ZINC000352864951 526624137 /nfs/dbraw/zinc/62/41/37/526624137.db2.gz CLTOITRGOLQIKT-UHFFFAOYSA-N 0 3 298.386 3.335 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CC[C@H]2SC)cc1 ZINC000344950063 526888575 /nfs/dbraw/zinc/88/85/75/526888575.db2.gz CALNBQOURWMRQP-HUUCEWRRSA-N 0 3 263.406 3.235 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000355033402 527141984 /nfs/dbraw/zinc/14/19/84/527141984.db2.gz JLNJVKLMMQXXPR-OFQRWUPVSA-N 0 3 291.439 3.097 20 30 CGEDHN C=CCCN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347333592 527326414 /nfs/dbraw/zinc/32/64/14/527326414.db2.gz HXABHFSZONOIGD-KBPBESRZSA-N 0 3 263.406 3.063 20 30 CGEDHN C=C[C@@H](CO)N[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000353576067 527443935 /nfs/dbraw/zinc/44/39/35/527443935.db2.gz MTMFTKWZUNQCHG-TVQRCGJNSA-N 0 3 272.175 3.117 20 30 CGEDHN CC(C)[C@H](O)C1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358555517 527718081 /nfs/dbraw/zinc/71/80/81/527718081.db2.gz AKJWHVAGOFNLOU-WBMJQRKESA-N 0 3 290.382 3.145 20 30 CGEDHN CC1(CN2CCC(C#N)(c3ccccn3)CC2)CCC1 ZINC000336432838 527929777 /nfs/dbraw/zinc/92/97/77/527929777.db2.gz WDGSRUFZLHZCAI-UHFFFAOYSA-N 0 3 269.392 3.129 20 30 CGEDHN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C(C)C#N ZINC000347750121 528489082 /nfs/dbraw/zinc/48/90/82/528489082.db2.gz GMVORZCTMFFHRX-IUODEOHRSA-N 0 3 276.355 3.011 20 30 CGEDHN CCN(CCOc1ccccc1C#N)Cc1occc1C ZINC000412024897 528573825 /nfs/dbraw/zinc/57/38/25/528573825.db2.gz GPQZGQNDAGZZJE-UHFFFAOYSA-N 0 3 284.359 3.361 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)CC(C)C ZINC000417388087 536644381 /nfs/dbraw/zinc/64/43/81/536644381.db2.gz ZIMUVFSWLMXLLZ-BBRMVZONSA-N 0 3 260.381 3.270 20 30 CGEDHN CC(=NNCCCOc1ccccc1)c1ccc(N)cc1 ZINC000729148489 571879287 /nfs/dbraw/zinc/87/92/87/571879287.db2.gz BFFIFEDSNDHMDW-UHFFFAOYSA-N 0 3 283.375 3.052 20 30 CGEDHN CCCCCCCN(C)Cc1cccc(C(N)=O)c1 ZINC000740875288 571890952 /nfs/dbraw/zinc/89/09/52/571890952.db2.gz QUALVGLSOIDEGU-UHFFFAOYSA-N 0 3 262.397 3.188 20 30 CGEDHN CCCCCCCNCc1cn(-c2ccccc2)nn1 ZINC000729677576 571928590 /nfs/dbraw/zinc/92/85/90/571928590.db2.gz VPRJBAJTCAUMBH-UHFFFAOYSA-N 0 3 272.396 3.327 20 30 CGEDHN C[C@H]1C[C@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000740885076 572466557 /nfs/dbraw/zinc/46/65/57/572466557.db2.gz YNVIKOZVOUPLNO-RYUDHWBXSA-N 0 3 278.783 3.473 20 30 CGEDHN COc1ccc(CN[C@H](C)COc2ccccc2)cc1C#N ZINC000742369480 572568157 /nfs/dbraw/zinc/56/81/57/572568157.db2.gz YBFLYICIROQWHM-CQSZACIVSA-N 0 3 296.370 3.124 20 30 CGEDHN COc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1C#N ZINC000742370086 572568280 /nfs/dbraw/zinc/56/82/80/572568280.db2.gz FPXKHCRDGKRJHI-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN C[NH+](C)[C@@H]1CCC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000749844379 573046466 /nfs/dbraw/zinc/04/64/66/573046466.db2.gz IVYPIEZSMZTCHF-SRDPGZLCSA-N 0 3 280.799 3.337 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC000969953942 613299139 /nfs/dbraw/zinc/29/91/39/613299139.db2.gz OHKGAUOIKTZKTG-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000974986368 613341096 /nfs/dbraw/zinc/34/10/96/613341096.db2.gz IHRIBPILZNLYDY-INIZCTEOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974720292 613341369 /nfs/dbraw/zinc/34/13/69/613341369.db2.gz MLWRCQKSUIGJBK-HOTGVXAUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C1CCC(C(=O)N2CCN(CC3CCCC3)CC2)CC1 ZINC000950046578 613404943 /nfs/dbraw/zinc/40/49/43/613404943.db2.gz GABHRFNQCUGQNB-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000949666975 613433383 /nfs/dbraw/zinc/43/33/83/613433383.db2.gz KMFGWLBTPSZYEF-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709096 613516110 /nfs/dbraw/zinc/51/61/10/613516110.db2.gz HCXKBBNNZFLXDA-OCCSQVGLSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC000972732200 613628937 /nfs/dbraw/zinc/62/89/37/613628937.db2.gz ISXUBKATXHJBQP-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccccc1C ZINC000968735786 613684979 /nfs/dbraw/zinc/68/49/79/613684979.db2.gz RFESBVQEZZMTNH-MRXNPFEDSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC000969144508 613685455 /nfs/dbraw/zinc/68/54/55/613685455.db2.gz NMEHCNIGKAGUOB-KRWDZBQOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000968807159 613686000 /nfs/dbraw/zinc/68/60/00/613686000.db2.gz ZYOVEQPFFLBNQE-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000944633226 613750704 /nfs/dbraw/zinc/75/07/04/613750704.db2.gz DZJCAQRZOWZQGH-DZGCQCFKSA-N 0 3 298.386 3.059 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)C[C@@H]1C ZINC000947776819 613760209 /nfs/dbraw/zinc/76/02/09/613760209.db2.gz YNEAVMGSYFYAGK-CMPLNLGQSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)C[C@@H]1C ZINC000947776053 613788781 /nfs/dbraw/zinc/78/87/81/613788781.db2.gz SZLKVIXCVFAIRW-JQWIXIFHSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CC)s2)C[C@@H]1C ZINC000947516749 613790444 /nfs/dbraw/zinc/79/04/44/613790444.db2.gz WYDZDEJCLWDFRD-STQMWFEESA-N 0 3 292.448 3.079 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000944653098 613790678 /nfs/dbraw/zinc/79/06/78/613790678.db2.gz KQTZAMUUEXKPNB-MNOVXSKESA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(Br)CN[C@H]1CCC[C@@H]1SCC ZINC000300390654 617786601 /nfs/dbraw/zinc/78/66/01/617786601.db2.gz RQQYGKRVKDKQCX-UWVGGRQHSA-N 0 3 264.232 3.159 20 30 CGEDHN C#CCOCCN[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926146194 618174634 /nfs/dbraw/zinc/17/46/34/618174634.db2.gz ZYUSODIXQOMZLO-VIFPVBQESA-N 0 3 277.311 3.067 20 30 CGEDHN C[C@@H]1CN(CCC(C)(C)C#N)CCN1c1ccccc1 ZINC000934320946 618593347 /nfs/dbraw/zinc/59/33/47/618593347.db2.gz YCDHGLSFDQGWJG-OAHLLOKOSA-N 0 3 271.408 3.137 20 30 CGEDHN CC#CCCN(Cc1ccco1)Cc1ccccc1O ZINC000156626121 618712823 /nfs/dbraw/zinc/71/28/23/618712823.db2.gz HAMRJPRRSIJQEC-UHFFFAOYSA-N 0 3 269.344 3.401 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H]2c2cccn2C)cc1 ZINC000179707649 618799442 /nfs/dbraw/zinc/79/94/42/618799442.db2.gz NEVASKMFHVWTHY-IBGZPJMESA-N 0 3 294.398 3.374 20 30 CGEDHN C=CCCC1(CN[C@H](C)c2cc(CO)on2)CCCC1 ZINC000926684148 618819648 /nfs/dbraw/zinc/81/96/48/618819648.db2.gz WOICUZTUGAKWNH-CYBMUJFWSA-N 0 3 278.396 3.344 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2CCC)C1 ZINC001020325833 618979728 /nfs/dbraw/zinc/97/97/28/618979728.db2.gz HXTPVUFVVNRPGZ-KBUPBQIOSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001006601949 619022060 /nfs/dbraw/zinc/02/20/60/619022060.db2.gz JVFBEBHVJBOORM-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](C)c1nn(CC)nc1C ZINC000925711454 619157380 /nfs/dbraw/zinc/15/73/80/619157380.db2.gz ZESRQQVEROVUSB-VXGBXAGGSA-N 0 3 250.390 3.002 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC(F)F)c(OCC)c1)C(C)C ZINC000313324091 619168573 /nfs/dbraw/zinc/16/85/73/619168573.db2.gz YEMBLPYJHXYLGR-CYBMUJFWSA-N 0 3 297.345 3.434 20 30 CGEDHN Cc1nc(CN)ccc1[C@H](C)Nc1ccc(CCC#N)cc1 ZINC000925823540 619269690 /nfs/dbraw/zinc/26/96/90/619269690.db2.gz RVNVQTQPDNVRFY-ZDUSSCGKSA-N 0 3 294.402 3.478 20 30 CGEDHN COCCN(Cc1csc(C#N)c1)[C@H]1CC[C@@H](C)C1 ZINC000894002049 619349507 /nfs/dbraw/zinc/34/95/07/619349507.db2.gz UPBPBHMCNAXLJH-OCCSQVGLSA-N 0 3 278.421 3.257 20 30 CGEDHN CC1(C)COC[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000894357829 619502969 /nfs/dbraw/zinc/50/29/69/619502969.db2.gz BHMLQAPSMBWMFN-CABCVRRESA-N 0 3 258.365 3.046 20 30 CGEDHN CC(C)n1cc([C@@H](C)N[C@H](C)CC(C)(C)C#N)cn1 ZINC000925045464 619508969 /nfs/dbraw/zinc/50/89/69/619508969.db2.gz KYCBCYJJZDQZCE-CHWSQXEVSA-N 0 3 262.401 3.443 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000925067756 619519251 /nfs/dbraw/zinc/51/92/51/619519251.db2.gz QYJOTGXBYITJMU-HOCLYGCPSA-N 0 3 299.418 3.100 20 30 CGEDHN C#C[C@@H](NC1CC2(C1)CO[C@@H](C)C2)c1ccc(F)cc1 ZINC000894576015 619580191 /nfs/dbraw/zinc/58/01/91/619580191.db2.gz YMCIYBBJGHOCDZ-PDKWGQGHSA-N 0 3 273.351 3.047 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1cnc(Br)cn1 ZINC000895407203 619822061 /nfs/dbraw/zinc/82/20/61/619822061.db2.gz NQOZLTZUCRNEII-LLVKDONJSA-N 0 3 298.228 3.464 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@H](c1ccccc1)[C@H](C)O ZINC000895473116 619835897 /nfs/dbraw/zinc/83/58/97/619835897.db2.gz LZAIMLNGLGRVOR-KXBFYZLASA-N 0 3 294.398 3.387 20 30 CGEDHN CC1(C)C[C@@]1(C)CNCc1cc(C#N)cnc1Cl ZINC000895533807 619843360 /nfs/dbraw/zinc/84/33/60/619843360.db2.gz DFSQFULEAFVDKE-AWEZNQCLSA-N 0 3 263.772 3.132 20 30 CGEDHN Oc1ccc([C@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000895665947 619868226 /nfs/dbraw/zinc/86/82/26/619868226.db2.gz HFGYVEBEJKWDIN-SFHVURJKSA-N 0 3 277.367 3.233 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000895776840 619883839 /nfs/dbraw/zinc/88/38/39/619883839.db2.gz DHCXARKDAKJNRO-RISCZKNCSA-N 0 3 280.799 3.291 20 30 CGEDHN CCO[C@H]1C[C@@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])C1 ZINC000840709605 620104265 /nfs/dbraw/zinc/10/42/65/620104265.db2.gz DRQZPRHBSHCRGZ-KXJRRJJISA-N 0 3 290.407 3.225 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](C)CCOC)c([O-])c1 ZINC000840709744 620106190 /nfs/dbraw/zinc/10/61/90/620106190.db2.gz FYMGIWPCAPQFLQ-VVTMIQRTSA-N 0 3 292.423 3.330 20 30 CGEDHN C/C(C=Nn1cnnc1)=C\c1ccccc1C(F)(F)F ZINC000799865469 620305868 /nfs/dbraw/zinc/30/58/68/620305868.db2.gz GRAGDGJYMLTKEO-AIDVEJAHSA-N 0 3 280.253 3.234 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H](O)c1ccc(F)cc1C ZINC000785998676 620393811 /nfs/dbraw/zinc/39/38/11/620393811.db2.gz KFGQWAZICSGBFD-ZBFHGGJFSA-N 0 3 263.356 3.208 20 30 CGEDHN CCCC[C@@H](C)[C@@H](C)NCc1nc(C#N)cs1 ZINC000897630324 620414226 /nfs/dbraw/zinc/41/42/26/620414226.db2.gz VPROERLOLRMKAI-GHMZBOCLSA-N 0 3 251.399 3.319 20 30 CGEDHN N#Cc1c(F)cccc1CNC1C[C@H]2CC[C@@H](C1)S2 ZINC000897746837 620429321 /nfs/dbraw/zinc/42/93/21/620429321.db2.gz ZAMVIOMHPVULOU-YHWZYXNKSA-N 0 3 276.380 3.214 20 30 CGEDHN C=CC(C)(C)NCc1cc(OC)c(OC)cc1SC ZINC000898457341 620590081 /nfs/dbraw/zinc/59/00/81/620590081.db2.gz MWBNSBPUNVZKIA-UHFFFAOYSA-N 0 3 281.421 3.480 20 30 CGEDHN C=CC(C)(C)NCc1cc(C(OC)OC)ccc1F ZINC000902727280 621414714 /nfs/dbraw/zinc/41/47/14/621414714.db2.gz UUKUKAIYTXDXJX-UHFFFAOYSA-N 0 3 267.344 3.171 20 30 CGEDHN C[C@H](NCCSc1ccccc1)c1cc(C#N)ccn1 ZINC000902728400 621414987 /nfs/dbraw/zinc/41/49/87/621414987.db2.gz SDNJJBGIKNSOIN-ZDUSSCGKSA-N 0 3 283.400 3.396 20 30 CGEDHN C[C@@H](NCCCOc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902779242 621437194 /nfs/dbraw/zinc/43/71/94/621437194.db2.gz PHZJADQSSFGXLG-CYBMUJFWSA-N 0 3 299.349 3.212 20 30 CGEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)Oc1cccc(F)c1 ZINC000902820324 621455961 /nfs/dbraw/zinc/45/59/61/621455961.db2.gz AZGICRYRKJPBQC-OLZOCXBDSA-N 0 3 299.349 3.210 20 30 CGEDHN CC[C@@H](NCc1cnc2n1CCCC2)c1cccc(C#N)c1 ZINC000902984646 621512471 /nfs/dbraw/zinc/51/24/71/621512471.db2.gz SLFGFGAYNGGRSC-QGZVFWFLSA-N 0 3 294.402 3.332 20 30 CGEDHN Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000903039125 621539432 /nfs/dbraw/zinc/53/94/32/621539432.db2.gz QSIQQHREUKSSOW-QANKJYHBSA-N 0 3 277.371 3.468 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1nc(CN(C)C)cs1 ZINC000903227439 621637679 /nfs/dbraw/zinc/63/76/79/621637679.db2.gz UZSJCKKJJUARLX-CYBMUJFWSA-N 0 3 281.469 3.429 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000903295595 621664143 /nfs/dbraw/zinc/66/41/43/621664143.db2.gz WDYWBQHOFXRVPL-ZFWWWQNUSA-N 0 3 298.386 3.119 20 30 CGEDHN C=CCC1(O)CCN([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906594937 622257124 /nfs/dbraw/zinc/25/71/24/622257124.db2.gz FTIILMJZBBJLIK-CVEARBPZSA-N 0 3 275.367 3.085 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1nccs1 ZINC000911906100 622567025 /nfs/dbraw/zinc/56/70/25/622567025.db2.gz GMMJCNCIGDGNHL-NSHDSACASA-N 0 3 269.414 3.160 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000912115626 622601430 /nfs/dbraw/zinc/60/14/30/622601430.db2.gz HFZMSKYWPZQLJG-MRXNPFEDSA-N 0 3 290.382 3.000 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(OCC(F)(F)F)c1 ZINC000769960288 625580718 /nfs/dbraw/zinc/58/07/18/625580718.db2.gz ADDKUZIQTRJYJM-NSHDSACASA-N 0 3 271.282 3.081 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1OCC(C)C ZINC000912325699 622636542 /nfs/dbraw/zinc/63/65/42/622636542.db2.gz IKWOVRNOEXXNJJ-AWEZNQCLSA-N 0 3 290.407 3.344 20 30 CGEDHN CSCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000172349393 623245711 /nfs/dbraw/zinc/24/57/11/623245711.db2.gz GEDNBPXKSWUTAV-JTQLQIEISA-N 0 3 274.345 3.147 20 30 CGEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000173953173 623350312 /nfs/dbraw/zinc/35/03/12/623350312.db2.gz WPFPTVVBVBEOEG-GXFFZTMASA-N 0 3 292.766 3.424 20 30 CGEDHN C=CCSCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000231943979 623350777 /nfs/dbraw/zinc/35/07/77/623350777.db2.gz LDANCHCITFDXBI-UHFFFAOYSA-N 0 3 286.784 3.257 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCC3(C)C)CCC[C@@H]12 ZINC000992120952 623440447 /nfs/dbraw/zinc/44/04/47/623440447.db2.gz VJNDZNBMUFDBLB-IIDMSEBBSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992989888 623772580 /nfs/dbraw/zinc/77/25/80/623772580.db2.gz UQPOXSWARRJBJI-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000993007954 623783464 /nfs/dbraw/zinc/78/34/64/623783464.db2.gz ZVCDUQDHCIFPTE-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2sccc2F)[C@H]1C ZINC000993263915 623997311 /nfs/dbraw/zinc/99/73/11/623997311.db2.gz LCGQVOHNOQJGQC-DGCLKSJQSA-N 0 3 296.411 3.046 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993774484 624062287 /nfs/dbraw/zinc/06/22/87/624062287.db2.gz MIIUUIBWNXYQEH-YPMHNXCESA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC000998826320 625821139 /nfs/dbraw/zinc/82/11/39/625821139.db2.gz DXMUCQLYHOBCRP-ZBCRRDGASA-N 0 3 296.842 3.064 20 30 CGEDHN C=CCSCCNCc1cc(C)cnc1Cl ZINC000921688837 625839659 /nfs/dbraw/zinc/83/96/59/625839659.db2.gz HYLOSYRMSYJBKN-UHFFFAOYSA-N 0 3 256.802 3.052 20 30 CGEDHN C=CCC[C@@H](NCc1cnc2n1CCOC2)c1ccccc1 ZINC000921915897 625928162 /nfs/dbraw/zinc/92/81/62/625928162.db2.gz CMHZDPCYTBBVPV-QGZVFWFLSA-N 0 3 297.402 3.210 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2sccc2C(C)C)C1 ZINC001016328596 625951384 /nfs/dbraw/zinc/95/13/84/625951384.db2.gz WTTDBXLZLVWRIM-CYBMUJFWSA-N 0 3 292.448 3.252 20 30 CGEDHN C=CCCCNCc1cc(C#N)ccc1Br ZINC000922079437 625969180 /nfs/dbraw/zinc/96/91/80/625969180.db2.gz OJEHLISEWCBGFR-UHFFFAOYSA-N 0 3 279.181 3.377 20 30 CGEDHN C=CCCSCCNCc1csc(C#N)c1 ZINC000922238619 625988025 /nfs/dbraw/zinc/98/80/25/625988025.db2.gz GZQGQJQCTJIYRU-UHFFFAOYSA-N 0 3 252.408 3.019 20 30 CGEDHN COCc1csc(CNCc2ccc(C)c(C#N)c2)c1 ZINC000922759462 626043306 /nfs/dbraw/zinc/04/33/06/626043306.db2.gz IZHVVVRVKXQACX-UHFFFAOYSA-N 0 3 286.400 3.364 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCC3(CCC3)O2)c(F)c1 ZINC000922808842 626049155 /nfs/dbraw/zinc/04/91/55/626049155.db2.gz ARUASRGLEGVURY-HNNXBMFYSA-N 0 3 288.366 3.279 20 30 CGEDHN C#CCC1(NCc2nccn2CC(F)(F)F)CCCCC1 ZINC000922980774 626114459 /nfs/dbraw/zinc/11/44/59/626114459.db2.gz BOKZOVSOTYVYNY-UHFFFAOYSA-N 0 3 299.340 3.261 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(Cl)c2)CC1 ZINC001006325065 626181858 /nfs/dbraw/zinc/18/18/58/626181858.db2.gz WTTAYRCGQSFGEU-UHFFFAOYSA-N 0 3 292.810 3.062 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CCOC1)c1ccc2ccccc2n1 ZINC000751825443 626406294 /nfs/dbraw/zinc/40/62/94/626406294.db2.gz MCVATRSRSQVLGE-DZGCQCFKSA-N 0 3 294.354 3.228 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000809616148 626444712 /nfs/dbraw/zinc/44/47/12/626444712.db2.gz KPKOJRWUKBKMLO-ZDUSSCGKSA-N 0 3 251.329 3.224 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc3ccccc3n2)CN1C1CC1 ZINC000753955664 626470060 /nfs/dbraw/zinc/47/00/60/626470060.db2.gz SAJHHCWMUZZKME-GFCCVEGCSA-N 0 3 280.375 3.259 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)cc1 ZINC000755874301 626655555 /nfs/dbraw/zinc/65/55/55/626655555.db2.gz MDLWUPHMMIGNHB-SNVBAGLBSA-N 0 3 263.772 3.222 20 30 CGEDHN CC[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000755994251 626666929 /nfs/dbraw/zinc/66/69/29/626666929.db2.gz DUJXDRQQPODJBO-LBPRGKRZSA-N 0 3 278.783 3.474 20 30 CGEDHN C=C(C)[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)OCC ZINC000756520965 626711643 /nfs/dbraw/zinc/71/16/43/626711643.db2.gz UIRFBTYVPGLNGP-WBMJQRKESA-N 0 3 298.342 3.375 20 30 CGEDHN C=C(CC)CN(C)C[C@H](O)c1cccc(Br)c1 ZINC000839642261 626774330 /nfs/dbraw/zinc/77/43/30/626774330.db2.gz QMHDHFXVRXZVJH-AWEZNQCLSA-N 0 3 298.224 3.381 20 30 CGEDHN CCCCN(Cn1cccc(C#N)c1=O)C1CCCCC1 ZINC000758207713 626833480 /nfs/dbraw/zinc/83/34/80/626833480.db2.gz BVEWQYBRTKNJNX-UHFFFAOYSA-N 0 3 287.407 3.112 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C2CC=CC2)c([O-])c1 ZINC000759641685 626910952 /nfs/dbraw/zinc/91/09/52/626910952.db2.gz FWRDNNPFDFCNPX-SFQUDFHCSA-N 0 3 258.365 3.376 20 30 CGEDHN CC[C@H](CC(F)(F)F)NCc1ccc(OC)c(C#N)c1 ZINC000760659903 626983534 /nfs/dbraw/zinc/98/35/34/626983534.db2.gz OKXAHZANRFZBEY-GFCCVEGCSA-N 0 3 286.297 3.387 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc(C#N)c(C(F)(F)F)c2)CN1C ZINC000761813022 627062842 /nfs/dbraw/zinc/06/28/42/627062842.db2.gz SVDORNJBKXOOFO-VIFPVBQESA-N 0 3 296.296 3.069 20 30 CGEDHN C#CCN(CCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000763943975 627186314 /nfs/dbraw/zinc/18/63/14/627186314.db2.gz INDFVEYBJURKHV-UHFFFAOYSA-N 0 3 292.382 3.266 20 30 CGEDHN C#CCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000766936347 627371776 /nfs/dbraw/zinc/37/17/76/627371776.db2.gz XXIRZIRFVYTKFW-UHFFFAOYSA-N 0 3 296.336 3.241 20 30 CGEDHN C#CCN(Cc1ccc(N2CCCC2)nc1)C1CCCCC1 ZINC000769145659 627525766 /nfs/dbraw/zinc/52/57/66/627525766.db2.gz MCEXRDURMJRPPX-UHFFFAOYSA-N 0 3 297.446 3.450 20 30 CGEDHN CC1=CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000769445678 627553093 /nfs/dbraw/zinc/55/30/93/627553093.db2.gz KIDDDGJPUYLXES-CQSZACIVSA-N 0 3 256.349 3.129 20 30 CGEDHN C#C[C@@H](C)N(C)CCOc1cc(Cl)ccc1Cl ZINC000769962001 627593158 /nfs/dbraw/zinc/59/31/58/627593158.db2.gz VLPPIJLXPVZBIT-SNVBAGLBSA-N 0 3 272.175 3.326 20 30 CGEDHN C#CC[C@@H](N[C@H](C)c1ccncc1)c1ccccc1 ZINC000773117750 627858633 /nfs/dbraw/zinc/85/86/33/627858633.db2.gz WALIFVHBLZNROY-RHSMWYFYSA-N 0 3 250.345 3.497 20 30 CGEDHN C#CCCCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000773276527 627870748 /nfs/dbraw/zinc/87/07/48/627870748.db2.gz WDVVLHZRAKFCNP-FUHWJXTLSA-N 0 3 298.430 3.132 20 30 CGEDHN C(=NOC1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000774467507 627994166 /nfs/dbraw/zinc/99/41/66/627994166.db2.gz DHFICEDUSDTTNE-UHFFFAOYSA-N 0 3 288.391 3.206 20 30 CGEDHN C#C[C@H](C)N(C)Cc1sc2nc(C)nc(C)c2c1C ZINC000775184684 628071164 /nfs/dbraw/zinc/07/11/64/628071164.db2.gz XMUZNVARFLLKPU-VIFPVBQESA-N 0 3 273.405 3.070 20 30 CGEDHN C#C[C@H](N[C@H](CCC)c1ccc(OC)cc1)[C@H]1CCCO1 ZINC000775571313 628107753 /nfs/dbraw/zinc/10/77/53/628107753.db2.gz FCNHIZQXSBXBTL-RCCFBDPRSA-N 0 3 287.403 3.307 20 30 CGEDHN C#C[C@H](N[C@@H](CCC)c1ccccc1)[C@H]1CCCO1 ZINC000775572060 628108734 /nfs/dbraw/zinc/10/87/34/628108734.db2.gz OKVQKAXVYHQWPN-YESZJQIVSA-N 0 3 257.377 3.298 20 30 CGEDHN COC[C@@H](C)NN=C(C)c1ccc(N2CCCCC2)cc1 ZINC000777892820 628308324 /nfs/dbraw/zinc/30/83/24/628308324.db2.gz CWJCEWYPNQLNOX-CQSZACIVSA-N 0 3 289.423 3.025 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCCSC1 ZINC000778177954 628331524 /nfs/dbraw/zinc/33/15/24/628331524.db2.gz VUAWHNSCUYFXSJ-GFCCVEGCSA-N 0 3 295.835 3.337 20 30 CGEDHN CCCCCCN(C)CC(=O)C(C#N)c1nc(C)cs1 ZINC000778596120 628359965 /nfs/dbraw/zinc/35/99/65/628359965.db2.gz RUORPKAGEKTXKK-ZDUSSCGKSA-N 0 3 293.436 3.140 20 30 CGEDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000781888751 628602282 /nfs/dbraw/zinc/60/22/82/628602282.db2.gz HWXJPSGOCGMEBW-ZDUSSCGKSA-N 0 3 293.370 3.367 20 30 CGEDHN C=C(Cl)CN[C@H](c1ccccc1)C1CCOCC1 ZINC000782768672 628662640 /nfs/dbraw/zinc/66/26/40/628662640.db2.gz ACUYCTXKFXUHBQ-OAHLLOKOSA-N 0 3 265.784 3.496 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC=CO1)c1ccc(C#N)cc1F ZINC000783310547 628702259 /nfs/dbraw/zinc/70/22/59/628702259.db2.gz PIUORKIDVOAGAY-YPMHNXCESA-N 0 3 260.312 3.041 20 30 CGEDHN C=C(CNCc1ccc(F)nc1C)c1ccccc1 ZINC000785438093 628861986 /nfs/dbraw/zinc/86/19/86/628861986.db2.gz UWHOAQZRWNUQFS-UHFFFAOYSA-N 0 3 256.324 3.332 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)c1ccc(F)cc1C ZINC000785998671 628906426 /nfs/dbraw/zinc/90/64/26/628906426.db2.gz KFGQWAZICSGBFD-GDBMZVCRSA-N 0 3 263.356 3.208 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(F)c(Br)c1 ZINC000787997775 629038570 /nfs/dbraw/zinc/03/85/70/629038570.db2.gz RLGRZCUDIOSLBM-UHFFFAOYSA-N 0 3 284.172 3.432 20 30 CGEDHN C#Cc1ccc(CN[C@@H](CC)c2ccncc2)cc1 ZINC000788852004 629086420 /nfs/dbraw/zinc/08/64/20/629086420.db2.gz CTRWIFWNPSTSIR-KRWDZBQOSA-N 0 3 250.345 3.304 20 30 CGEDHN CCN(CC)c1ccc(C=NNCCc2ccccn2)cc1 ZINC000789105431 629105518 /nfs/dbraw/zinc/10/55/18/629105518.db2.gz QIVNGHQSLKBKDJ-UHFFFAOYSA-N 0 3 296.418 3.094 20 30 CGEDHN C=C(C)[C@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805917000 629194433 /nfs/dbraw/zinc/19/44/33/629194433.db2.gz VUCGNRATDSSBHP-HNNXBMFYSA-N 0 3 287.403 3.406 20 30 CGEDHN CCn1ccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000792182278 629345567 /nfs/dbraw/zinc/34/55/67/629345567.db2.gz ABZVUBFDPNZALL-HNNXBMFYSA-N 0 3 297.402 3.431 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(OC)cc2Cl)C1 ZINC000862443456 629377238 /nfs/dbraw/zinc/37/72/38/629377238.db2.gz PCSAVXGSSJNZJR-GFCCVEGCSA-N 0 3 263.768 3.194 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2conc2Cc2ccccc2)C1 ZINC000862448053 629380809 /nfs/dbraw/zinc/38/08/09/629380809.db2.gz WDCJFBBXICBWGK-MRXNPFEDSA-N 0 3 280.371 3.111 20 30 CGEDHN C#CCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000796288649 629760904 /nfs/dbraw/zinc/76/09/04/629760904.db2.gz IACLEBJZNZWVLW-ZDUSSCGKSA-N 0 3 269.266 3.259 20 30 CGEDHN CCO[C@@]1(C)C[C@H]1/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000864345711 629815157 /nfs/dbraw/zinc/81/51/57/629815157.db2.gz DFDHXZFYINSOJP-UDJURMGGSA-N 0 3 290.407 3.225 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@H](C)O[C@H]2C)c([O-])c1 ZINC000864347191 629816112 /nfs/dbraw/zinc/81/61/12/629816112.db2.gz LWVOSLPHIBLXNS-VJAPHWAVSA-N 0 3 290.407 3.223 20 30 CGEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000796788230 629834246 /nfs/dbraw/zinc/83/42/46/629834246.db2.gz INFFHBGYQRVJBA-SWLSCSKDSA-N 0 3 286.375 3.469 20 30 CGEDHN CC1(C)CC(C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000796818618 629839998 /nfs/dbraw/zinc/83/99/98/629839998.db2.gz OYPARUXBNQOORZ-LLVKDONJSA-N 0 3 268.316 3.440 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccccn3)C2)cc1F ZINC000799195801 630157391 /nfs/dbraw/zinc/15/73/91/630157391.db2.gz LRWPHSBDQYXTLR-HNNXBMFYSA-N 0 3 281.334 3.082 20 30 CGEDHN C[C@@H](C#N)OCCNC(C)(c1ccccc1)c1ccccc1 ZINC000801937645 630370857 /nfs/dbraw/zinc/37/08/57/630370857.db2.gz RQMJRUQLPUYTTH-INIZCTEOSA-N 0 3 294.398 3.468 20 30 CGEDHN C#CCCCCC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000807680339 630596677 /nfs/dbraw/zinc/59/66/77/630596677.db2.gz PCEUSZGUUDIWND-LSDHHAIUSA-N 0 3 290.407 3.019 20 30 CGEDHN C=CCN(CCC(=O)C(C)C)CCc1ccccc1 ZINC000808713362 630669020 /nfs/dbraw/zinc/66/90/20/630669020.db2.gz NSNRZSRRKPCPHQ-UHFFFAOYSA-N 0 3 259.393 3.332 20 30 CGEDHN C#Cc1ccc(CNCc2cccc(NC(=O)CC)c2)cc1 ZINC000809607378 630759561 /nfs/dbraw/zinc/75/95/61/630759561.db2.gz YINMJQPIUBDSJY-UHFFFAOYSA-N 0 3 292.382 3.306 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000809610952 630762260 /nfs/dbraw/zinc/76/22/60/630762260.db2.gz KYOJZYKUAOZDMJ-UHFFFAOYSA-N 0 3 282.362 3.163 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000809618578 630763529 /nfs/dbraw/zinc/76/35/29/630763529.db2.gz KEQTWYSUZQNGQT-CYBMUJFWSA-N 0 3 293.370 3.009 20 30 CGEDHN C#Cc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000809629811 630767808 /nfs/dbraw/zinc/76/78/08/630767808.db2.gz CPCJPVUAMUZQLH-SFHVURJKSA-N 0 3 262.356 3.304 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC(F)F)c(F)c1)C(C)C ZINC000809685348 630780845 /nfs/dbraw/zinc/78/08/45/630780845.db2.gz OWUNQNHMZAZDML-GFCCVEGCSA-N 0 3 271.282 3.175 20 30 CGEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccccc1)C(C)(C)C ZINC000809781541 630806513 /nfs/dbraw/zinc/80/65/13/630806513.db2.gz VLYLEWFXIJQXJY-MRXNPFEDSA-N 0 3 281.403 3.225 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCCSC3)nc21 ZINC000810590588 630899247 /nfs/dbraw/zinc/89/92/47/630899247.db2.gz QCKUXLSXTUEHFO-NEPJUHHUSA-N 0 3 299.399 3.191 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H]2CC(C)=C[C@@H](C)C2)n1 ZINC000811497874 631075683 /nfs/dbraw/zinc/07/56/83/631075683.db2.gz WWTMENUOJQEDRM-WBVHZDCISA-N 0 3 285.435 3.331 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC1CC1 ZINC000813058490 631342497 /nfs/dbraw/zinc/34/24/97/631342497.db2.gz YLLPQJDASPFYAB-ZDUSSCGKSA-N 0 3 281.359 3.330 20 30 CGEDHN N#C[C@H](c1ccccc1)N1CCN(CCCC2CC2)CC1 ZINC000813334465 631413197 /nfs/dbraw/zinc/41/31/97/631413197.db2.gz KTQPFVCIYJONEY-GOSISDBHSA-N 0 3 283.419 3.059 20 30 CGEDHN C#CC[C@@H](OC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC000821627688 632807165 /nfs/dbraw/zinc/80/71/65/632807165.db2.gz LKBRMNSMPJFSQE-MRXNPFEDSA-N 0 3 287.403 3.343 20 30 CGEDHN C#CCCCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000821631117 632808332 /nfs/dbraw/zinc/80/83/32/632808332.db2.gz XZCVGMIPHZWTGF-QGZVFWFLSA-N 0 3 298.430 3.090 20 30 CGEDHN COc1ccc(Cl)cc1C(C)(C)NCCO[C@@H](C)C#N ZINC000823502661 633114354 /nfs/dbraw/zinc/11/43/54/633114354.db2.gz CCRKYKFTHHFTOQ-NSHDSACASA-N 0 3 296.798 3.102 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000876578299 634861241 /nfs/dbraw/zinc/86/12/41/634861241.db2.gz IMGQKIZCLIVGTO-CQSZACIVSA-N 0 3 294.826 3.070 20 30 CGEDHN CN(C)c1ccc(/C=C\CN2CCC[C@@H](CC#N)C2)cc1 ZINC000826861326 633438174 /nfs/dbraw/zinc/43/81/74/633438174.db2.gz DWIREGWWKQEKEB-IVZVJUQRSA-N 0 3 283.419 3.391 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000826861063 633438361 /nfs/dbraw/zinc/43/83/61/633438361.db2.gz AGJXFZMWDYOFGV-LSDHHAIUSA-N 0 3 283.375 3.103 20 30 CGEDHN C#CCCN(CCOC)Cc1cc2ccccc2c(OC)c1 ZINC000827826254 633522851 /nfs/dbraw/zinc/52/28/51/633522851.db2.gz AJRIORQTTPRDRB-UHFFFAOYSA-N 0 3 297.398 3.320 20 30 CGEDHN C#CCCOc1ccc(CNCc2cncc(C)c2)cc1 ZINC000122871016 633524369 /nfs/dbraw/zinc/52/43/69/633524369.db2.gz YEHVIJSADLCGKO-UHFFFAOYSA-N 0 3 280.371 3.082 20 30 CGEDHN COC[C@@H](CC(C)(C)C)NCc1cc(C#N)ccc1F ZINC000845944557 636122424 /nfs/dbraw/zinc/12/24/24/636122424.db2.gz QSBJLZWFEYCLIL-CQSZACIVSA-N 0 3 278.371 3.238 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OC)sc2C)C1 ZINC000829789383 633786097 /nfs/dbraw/zinc/78/60/97/633786097.db2.gz UMDAZSTXMHENID-CYBMUJFWSA-N 0 3 291.416 3.078 20 30 CGEDHN C#CC[C@H]1CCCN([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000829804454 633789300 /nfs/dbraw/zinc/78/93/00/633789300.db2.gz HKEMSERBVGIOOU-KGLIPLIRSA-N 0 3 289.375 3.171 20 30 CGEDHN C=C(Cl)CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000832777886 634094929 /nfs/dbraw/zinc/09/49/29/634094929.db2.gz DKJXFWOHCODOJC-UHFFFAOYSA-N 0 3 284.753 3.088 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(F)cccc1OCC ZINC000873120468 634250332 /nfs/dbraw/zinc/25/03/32/634250332.db2.gz RWIYLMNEEHTAMA-CXAGYDPISA-N 0 3 293.382 3.295 20 30 CGEDHN C#Cc1cccc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000834902287 634278585 /nfs/dbraw/zinc/27/85/85/634278585.db2.gz GSJCSBMTECUANZ-QGZVFWFLSA-N 0 3 294.402 3.197 20 30 CGEDHN Nc1ccc2c(c1)CCC2=NNCCCc1ccccc1 ZINC000834956539 634293453 /nfs/dbraw/zinc/29/34/53/634293453.db2.gz PLPAHDQUEKLGKQ-UHFFFAOYSA-N 0 3 279.387 3.142 20 30 CGEDHN C[C@H](NN=C1CCCC[C@H]1N1CCCCC1)C(F)(F)F ZINC000834998989 634305877 /nfs/dbraw/zinc/30/58/77/634305877.db2.gz ACFXHGOLYHVFAL-WCQYABFASA-N 0 3 291.361 3.311 20 30 CGEDHN CSc1ccc(N=NC2CN(C3CC3)C[C@@H]2C)cc1 ZINC000834998725 634306798 /nfs/dbraw/zinc/30/67/98/634306798.db2.gz KWGPIICLUUXJFB-NSHDSACASA-N 0 3 275.421 3.291 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)[C@H](N)CC(=C)Cl ZINC000876659935 634876477 /nfs/dbraw/zinc/87/64/77/634876477.db2.gz JTJYHDCMSCBKAU-CQSZACIVSA-N 0 3 284.831 3.051 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000876658021 634876788 /nfs/dbraw/zinc/87/67/88/634876788.db2.gz WMCVUUGTGBBQQL-HUUCEWRRSA-N 0 3 292.810 3.032 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(CCC(C)C)CC1 ZINC000876705029 634884487 /nfs/dbraw/zinc/88/44/87/634884487.db2.gz IMCFLOYUGYBWFR-AWEZNQCLSA-N 0 3 286.847 3.131 20 30 CGEDHN C#CCCCCCCN1CCN(CC(F)F)[C@H](CC)C1 ZINC000876778895 634898201 /nfs/dbraw/zinc/89/82/01/634898201.db2.gz RNKKNFLMCPRFJK-OAHLLOKOSA-N 0 3 286.410 3.231 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000876940808 634934044 /nfs/dbraw/zinc/93/40/44/634934044.db2.gz YASUIAXCECKJTM-CQSZACIVSA-N 0 3 280.799 3.220 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000876958100 634937362 /nfs/dbraw/zinc/93/73/62/634937362.db2.gz RIOLRVGISMOCRS-QWHCGFSZSA-N 0 3 284.831 3.076 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000876983894 634943580 /nfs/dbraw/zinc/94/35/80/634943580.db2.gz ZPCSIUAEFFURGO-ZYHUDNBSSA-N 0 3 298.839 3.128 20 30 CGEDHN CCCC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877009239 634948897 /nfs/dbraw/zinc/94/88/97/634948897.db2.gz JXRGFVYREVAIRR-UHFFFAOYSA-N 0 3 251.761 3.275 20 30 CGEDHN CC(C)C[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877112138 634987298 /nfs/dbraw/zinc/98/72/98/634987298.db2.gz QGLPQVRFHCIGRO-SNVBAGLBSA-N 0 3 251.761 3.131 20 30 CGEDHN Cc1ccsc1CCNCc1cc(C#N)cnc1Cl ZINC000877132924 634996554 /nfs/dbraw/zinc/99/65/54/634996554.db2.gz RJXZOBDNYQEGNJ-UHFFFAOYSA-N 0 3 291.807 3.309 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000877303796 635021043 /nfs/dbraw/zinc/02/10/43/635021043.db2.gz MVVLFCACKHRLGM-INIZCTEOSA-N 0 3 286.419 3.330 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000840961811 635093998 /nfs/dbraw/zinc/09/39/98/635093998.db2.gz FFXQVBRXHBMMNH-APHBMKBZSA-N 0 3 276.355 3.348 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC2CC3(CCC3)C2)c1 ZINC000877615339 635113862 /nfs/dbraw/zinc/11/38/62/635113862.db2.gz PKKHZDFBKJJTNK-UHFFFAOYSA-N 0 3 261.756 3.029 20 30 CGEDHN C[C@H]1c2ccccc2C[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877626754 635120066 /nfs/dbraw/zinc/12/00/66/635120066.db2.gz HWJXBMVEGKJPAF-MEDUHNTESA-N 0 3 297.789 3.425 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC000877811313 635215317 /nfs/dbraw/zinc/21/53/17/635215317.db2.gz YXBGNYUWZHAGDB-IBGZPJMESA-N 0 3 289.382 3.043 20 30 CGEDHN C=CC[C@@H](C)N(CCC)CC(=O)Nc1ccccc1OC ZINC000877906197 635262752 /nfs/dbraw/zinc/26/27/52/635262752.db2.gz ZXVVLYRMGLMYMO-CQSZACIVSA-N 0 3 290.407 3.310 20 30 CGEDHN C=CC[C@H](C)N(CC)CC(=O)Nc1c(F)cccc1F ZINC000877931099 635276408 /nfs/dbraw/zinc/27/64/08/635276408.db2.gz GMXQOVGSPZEUJX-NSHDSACASA-N 0 3 282.334 3.190 20 30 CGEDHN COCC(C)(C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000842294952 635318424 /nfs/dbraw/zinc/31/84/24/635318424.db2.gz ZQJLZKFBRNYJOE-NSHDSACASA-N 0 3 286.331 3.067 20 30 CGEDHN CC1(C)C[C@@H](CN2CCC[C@@](C)(C#N)C2)C(C)(C)O1 ZINC000878406521 635491987 /nfs/dbraw/zinc/49/19/87/635491987.db2.gz XJYXLRQHHHJJKI-BBRMVZONSA-N 0 3 264.413 3.206 20 30 CGEDHN C=C/C=C\CCN(CC(=C)C)Cc1ccc(CO)o1 ZINC000878607632 635567372 /nfs/dbraw/zinc/56/73/72/635567372.db2.gz YESQPMRLEMAWMY-WAYWQWQTSA-N 0 3 261.365 3.282 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000843422265 635666813 /nfs/dbraw/zinc/66/68/13/635666813.db2.gz DCEKCUSMZRCKDM-HNNXBMFYSA-N 0 3 297.377 3.247 20 30 CGEDHN C#CC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000843426912 635671796 /nfs/dbraw/zinc/67/17/96/635671796.db2.gz NDRKPDRYNAXTSK-UHFFFAOYSA-N 0 3 283.293 3.272 20 30 CGEDHN CC[C@H](N[C@H](C)CCC#N)c1cccc(OC)c1OC ZINC000879465054 635792896 /nfs/dbraw/zinc/79/28/96/635792896.db2.gz ASWSQEGGXBCTLS-OCCSQVGLSA-N 0 3 276.380 3.437 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844436507 635900027 /nfs/dbraw/zinc/90/00/27/635900027.db2.gz IFCZCAWDRCIEJL-HNNXBMFYSA-N 0 3 292.329 3.058 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000847023037 636315272 /nfs/dbraw/zinc/31/52/72/636315272.db2.gz AKDSTHCNMXVBIK-AWEZNQCLSA-N 0 3 266.344 3.187 20 30 CGEDHN C=CCC(C)(C)C(=O)OC[C@@H](C)N1CCCCC1 ZINC000847962940 636505950 /nfs/dbraw/zinc/50/59/50/636505950.db2.gz LFLGDPNGPNQYAN-CYBMUJFWSA-N 0 3 253.386 3.006 20 30 CGEDHN COc1ccccc1CON=C1CCCN2CCCC[C@H]12 ZINC000848409701 636569958 /nfs/dbraw/zinc/56/99/58/636569958.db2.gz BUFVMEHHMLOUQR-MRXNPFEDSA-N 0 3 288.391 3.216 20 30 CGEDHN C=CCC[C@@H](COc1ccccc1)NCc1cc(C)no1 ZINC000883185906 636572439 /nfs/dbraw/zinc/57/24/39/636572439.db2.gz GPXWOGBLFBAWFE-HNNXBMFYSA-N 0 3 286.375 3.486 20 30 CGEDHN C=CCC[C@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCO1 ZINC000883205272 636584901 /nfs/dbraw/zinc/58/49/01/636584901.db2.gz SEZSLKDFZWBZMV-IRXDYDNUSA-N 0 3 288.366 3.301 20 30 CGEDHN N#Cc1sc(N[C@H]2CCCN3CCCC[C@H]23)nc1Cl ZINC000848785271 636657614 /nfs/dbraw/zinc/65/76/14/636657614.db2.gz KDCXTRFPYJAPJG-VHSXEESVSA-N 0 3 296.827 3.097 20 30 CGEDHN C#C[C@H]1CCCN(C/C=C\c2ccccc2OC)C1 ZINC000848924113 636695031 /nfs/dbraw/zinc/69/50/31/636695031.db2.gz NXJXGJVJVGGUPU-XMELGKRDSA-N 0 3 255.361 3.054 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(OC)cc1Cl ZINC000883392291 636736405 /nfs/dbraw/zinc/73/64/05/636736405.db2.gz DTRIHQXQOOZPQB-NEPJUHHUSA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1c(Cl)ccc2cccnc21 ZINC000883400599 636741764 /nfs/dbraw/zinc/74/17/64/636741764.db2.gz QOROTRRMHKUTBR-CYBMUJFWSA-N 0 3 290.794 3.305 20 30 CGEDHN CCO[C@H]1C[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])C1 ZINC000849169538 636762031 /nfs/dbraw/zinc/76/20/31/636762031.db2.gz DRQZPRHBSHCRGZ-FJXIYXLCSA-N 0 3 290.407 3.225 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2COC(C)(C)C2)c([O-])c1 ZINC000849171013 636763279 /nfs/dbraw/zinc/76/32/79/636763279.db2.gz PWBBOIBOLWGZIB-XWAFYUISSA-N 0 3 290.407 3.225 20 30 CGEDHN C#CCN1CCC(C(=O)NC[C@H](CCC)CCCC)CC1 ZINC000084825601 636766856 /nfs/dbraw/zinc/76/68/56/636766856.db2.gz NMBVRGJDQFQQTE-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCOCCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000850532778 637109441 /nfs/dbraw/zinc/10/94/41/637109441.db2.gz XEKIYLIGBYSRFA-HNNXBMFYSA-N 0 3 263.381 3.334 20 30 CGEDHN C=CCOCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850532341 637109597 /nfs/dbraw/zinc/10/95/97/637109597.db2.gz SXJRRUVMPZFTFB-DGCLKSJQSA-N 0 3 279.355 3.262 20 30 CGEDHN N#CC(C(=O)C[C@]12CCCC[C@H]1C2(F)F)c1ccccn1 ZINC000850757301 637146161 /nfs/dbraw/zinc/14/61/61/637146161.db2.gz YBNWXIOCHPRBBP-NILFDRSVSA-N 0 3 290.313 3.473 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1ccccn1 ZINC000850755727 637146231 /nfs/dbraw/zinc/14/62/31/637146231.db2.gz HVJGYQPUQGKYPO-NXEZZACHSA-N 0 3 283.158 3.232 20 30 CGEDHN CC(C)(C)N1CC[C@H]1COC(=O)CC1(C#N)CCCCC1 ZINC000851104409 637258351 /nfs/dbraw/zinc/25/83/51/637258351.db2.gz KKDAGVUQAVDYID-AWEZNQCLSA-N 0 3 292.423 3.267 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](OC)C1 ZINC000851738880 637485620 /nfs/dbraw/zinc/48/56/20/637485620.db2.gz WAFDIDMJRHKTMF-GOEBONIOSA-N 0 3 290.363 3.150 20 30 CGEDHN C#CC[C@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000886356059 637510754 /nfs/dbraw/zinc/51/07/54/637510754.db2.gz SNPKELSXLFZDRG-LBPRGKRZSA-N 0 3 256.374 3.142 20 30 CGEDHN C#CC[C@@H]1CCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000886363764 637514386 /nfs/dbraw/zinc/51/43/86/637514386.db2.gz CGYCUUQARBUROF-CHWSQXEVSA-N 0 3 254.333 3.234 20 30 CGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](CCC)c1ccccc1 ZINC000852098650 637593110 /nfs/dbraw/zinc/59/31/10/637593110.db2.gz RWUZQPOOVXBTTC-AEFFLSMTSA-N 0 3 286.419 3.036 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ncccn2)C1 ZINC000886681070 637648291 /nfs/dbraw/zinc/64/82/91/637648291.db2.gz RKDKTPNJZOEPCQ-YOEHRIQHSA-N 0 3 292.386 3.289 20 30 CGEDHN C=CCC1(O)CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000886764061 637680494 /nfs/dbraw/zinc/68/04/94/637680494.db2.gz KIIZELDQESBWJO-UHFFFAOYSA-N 0 3 297.345 3.191 20 30 CGEDHN CCCCCCCC[C@@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000852919387 637723982 /nfs/dbraw/zinc/72/39/82/637723982.db2.gz VPZNLGUNZSXIHB-RBSFLKMASA-N 0 3 286.435 3.271 20 30 CGEDHN ClC1(Cl)C[C@H]1C=Nn1cnc2ccccc21 ZINC000853284327 637800276 /nfs/dbraw/zinc/80/02/76/637800276.db2.gz YBTLJBDJUJLRGG-QMMMGPOBSA-N 0 3 254.120 3.064 20 30 CGEDHN C=CCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000302094247 637890541 /nfs/dbraw/zinc/89/05/41/637890541.db2.gz GEQWADQARDBJKQ-UHFFFAOYSA-N 0 3 254.717 3.304 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)c1nc2ccccc2[nH]1 ZINC000111943154 637991338 /nfs/dbraw/zinc/99/13/38/637991338.db2.gz SZLFKPQTQRZUOB-STQMWFEESA-N 0 3 297.358 3.088 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC000113332656 638200467 /nfs/dbraw/zinc/20/04/67/638200467.db2.gz VEHPRDRGRMJLML-UHFFFAOYSA-N 0 3 295.382 3.305 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000856372621 638353671 /nfs/dbraw/zinc/35/36/71/638353671.db2.gz OGVVVKGTGXSEGH-MRXNPFEDSA-N 0 3 284.419 3.060 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000925471154 638507664 /nfs/dbraw/zinc/50/76/64/638507664.db2.gz NQRVMXZFTCENCT-FMKPAKJESA-N 0 3 299.418 3.098 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000925471157 638507750 /nfs/dbraw/zinc/50/77/50/638507750.db2.gz NQRVMXZFTCENCT-YCPHGPKFSA-N 0 3 299.418 3.098 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1COCc2ccccc21 ZINC000926599286 638790099 /nfs/dbraw/zinc/79/00/99/638790099.db2.gz DTZWEAFCVKFNGZ-DOMZBBRYSA-N 0 3 258.365 3.176 20 30 CGEDHN C=CCC[C@@H](NCc1c(C)noc1CC)[C@@H]1CCCO1 ZINC000927133831 638846217 /nfs/dbraw/zinc/84/62/17/638846217.db2.gz YXGUDKQQJWQFBH-ZBFHGGJFSA-N 0 3 278.396 3.149 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CCS[C@H](C)C1 ZINC000929518572 638929917 /nfs/dbraw/zinc/92/99/17/638929917.db2.gz PKKMQMVUHUKOOI-CYBMUJFWSA-N 0 3 260.406 3.112 20 30 CGEDHN N#Cc1cncc(CN[C@H](c2cccs2)C2CC2)c1 ZINC000930187339 638980914 /nfs/dbraw/zinc/98/09/14/638980914.db2.gz FPBIVYYERWOTHJ-HNNXBMFYSA-N 0 3 269.373 3.256 20 30 CGEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(Oc2ccccc2)cc1 ZINC000930214285 638983379 /nfs/dbraw/zinc/98/33/79/638983379.db2.gz RFZQOKQHXGGHHN-GDBMZVCRSA-N 0 3 296.370 3.404 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@H](Cc2nccs2)C1 ZINC000932205299 639297329 /nfs/dbraw/zinc/29/73/29/639297329.db2.gz WCTRXUTZQQHCJE-CHWSQXEVSA-N 0 3 263.410 3.090 20 30 CGEDHN C#CCC1(NCc2ccc(C(F)(F)F)cn2)CCC1 ZINC000933296521 639437101 /nfs/dbraw/zinc/43/71/01/639437101.db2.gz IJYABMXRWZESEH-UHFFFAOYSA-N 0 3 268.282 3.136 20 30 CGEDHN C#CCC1(NCC(=O)Nc2c(C)cc(C)cc2C)CCC1 ZINC000933299977 639437161 /nfs/dbraw/zinc/43/71/61/639437161.db2.gz NLDOTRDZWLISAH-UHFFFAOYSA-N 0 3 284.403 3.086 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCOc2ccccc21)c1ccccn1 ZINC000118142187 639552381 /nfs/dbraw/zinc/55/23/81/639552381.db2.gz VKCDVTKYEUWPSM-DZGCQCFKSA-N 0 3 292.338 3.214 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000935116722 639752824 /nfs/dbraw/zinc/75/28/24/639752824.db2.gz AOBIJAQEMBEUOQ-HFTRVMKXSA-N 0 3 286.419 3.150 20 30 CGEDHN CCCCCCCCN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000157563224 639992296 /nfs/dbraw/zinc/99/22/96/639992296.db2.gz DFDKFNMDDCQWRP-HNNXBMFYSA-N 0 3 289.485 3.246 20 30 CGEDHN Cc1cccc(CNCc2ccc(C#N)cc2)c1C ZINC000048068625 640037914 /nfs/dbraw/zinc/03/79/14/640037914.db2.gz IQEBAMONYUVXAM-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN CCC[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000076842935 640219011 /nfs/dbraw/zinc/21/90/11/640219011.db2.gz WYCPIQKOHNOQAV-WDEREUQCSA-N 0 3 256.305 3.440 20 30 CGEDHN COc1ccc(O)c([C@H](C)NCC#Cc2ccccc2)c1 ZINC000192156326 640353982 /nfs/dbraw/zinc/35/39/82/640353982.db2.gz FTRHDMSZPYETFV-AWEZNQCLSA-N 0 3 281.355 3.103 20 30 CGEDHN C=C1CCC(C(=O)N[C@H]2CCCN(CC=C(C)C)C2)CC1 ZINC001008421253 640950612 /nfs/dbraw/zinc/95/06/12/640950612.db2.gz XVJWAZJAWJFCSC-KRWDZBQOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001015830422 640986909 /nfs/dbraw/zinc/98/69/09/640986909.db2.gz UMZGTEGACQWVDN-SFHVURJKSA-N 0 3 296.414 3.026 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015990124 640988207 /nfs/dbraw/zinc/98/82/07/640988207.db2.gz GXPPDJBUWXKLQJ-CYBMUJFWSA-N 0 3 290.432 3.006 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(CC)CCCCC1 ZINC001157058419 805771684 /nfs/dbraw/zinc/77/16/84/805771684.db2.gz WMKWOGYGBCTWDI-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCCCC1(C)C ZINC001157190575 805787741 /nfs/dbraw/zinc/78/77/41/805787741.db2.gz QMBBFXUEVPSWPZ-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(c1cc(N(C)C)nc(C)n1)C1CCCCC1 ZINC001157848227 805887508 /nfs/dbraw/zinc/88/75/08/805887508.db2.gz RGCQDQJAYIVQOQ-UHFFFAOYSA-N 0 3 274.412 3.176 20 30 CGEDHN CC(C)(O)CN(CCC#N)C1CCCCCCC1 ZINC001252354244 806040849 /nfs/dbraw/zinc/04/08/49/806040849.db2.gz DKJJACUJRKLFRS-UHFFFAOYSA-N 0 3 252.402 3.086 20 30 CGEDHN CC(C)=Nc1sc2c(c1C(=O)OC(C)(C)C)CCNC2 ZINC001159274575 806071205 /nfs/dbraw/zinc/07/12/05/806071205.db2.gz OREVBYVYXPAKMG-UHFFFAOYSA-N 0 3 294.420 3.295 20 30 CGEDHN C=CCC[C@H](O)CNc1ccnc(-c2ccccc2)c1 ZINC001252591153 806077700 /nfs/dbraw/zinc/07/77/00/806077700.db2.gz LBFNKYPQKDKVQB-INIZCTEOSA-N 0 3 268.360 3.488 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001252623340 806093603 /nfs/dbraw/zinc/09/36/03/806093603.db2.gz JFCABKMAUFEXJA-UKRRQHHQSA-N 0 3 280.799 3.103 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](c1ccc(Cl)cn1)C1CC1 ZINC001252623341 806094125 /nfs/dbraw/zinc/09/41/25/806094125.db2.gz JFCABKMAUFEXJA-ZFWWWQNUSA-N 0 3 280.799 3.103 20 30 CGEDHN C=C[C@H](O)CN1CCC(c2ccccc2Cl)CC1 ZINC001253586088 806265574 /nfs/dbraw/zinc/26/55/74/806265574.db2.gz IWXLIYNXUYYUSJ-ZDUSSCGKSA-N 0 3 265.784 3.066 20 30 CGEDHN CC[C@H](C)[C@H]([NH2+]C1CCC(C(C)(C)CC)CC1)C(=O)N[O-] ZINC001257405214 807139409 /nfs/dbraw/zinc/13/94/09/807139409.db2.gz DCETYZSKKWJAEU-PPWQZUPISA-N 0 3 298.471 3.491 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(CC)cc2)CC1 ZINC001161805232 806457350 /nfs/dbraw/zinc/45/73/50/806457350.db2.gz AMFLMOAIPRAHHB-UHFFFAOYSA-N 0 3 298.430 3.187 20 30 CGEDHN COc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1C(F)(F)F ZINC001254642612 806469076 /nfs/dbraw/zinc/46/90/76/806469076.db2.gz IYZSFGGUJFMMCA-JQWIXIFHSA-N 0 3 298.308 3.496 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccncc2Cl)C2CC2)C1 ZINC001254648118 806471288 /nfs/dbraw/zinc/47/12/88/806471288.db2.gz KBWMVHXLWMVNGS-IFUGULHKSA-N 0 3 275.783 3.468 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccc(Cl)cn2)C2CC2)C1 ZINC001254654887 806476399 /nfs/dbraw/zinc/47/63/99/806476399.db2.gz BGCWAFFANOGTBR-DGFSRKRXSA-N 0 3 275.783 3.468 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@@H](C#N)C1)CCO2 ZINC001254654785 806476413 /nfs/dbraw/zinc/47/64/13/806476413.db2.gz AGWHDRFODMYQDA-NFAWXSAZSA-N 0 3 256.349 3.101 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC3(CC(=O)c4ccccc43)CC2)C1 ZINC001254676561 806484871 /nfs/dbraw/zinc/48/48/71/806484871.db2.gz MECAAPPLMFUGFW-LSDHHAIUSA-N 0 3 294.398 3.299 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001162150491 806515901 /nfs/dbraw/zinc/51/59/01/806515901.db2.gz PAMSWHUQLSQYDB-ZIAGYGMSSA-N 0 3 298.858 3.073 20 30 CGEDHN CC[C@H](CC#N)NC1CCN(Cc2ccccc2F)CC1 ZINC001255153019 806554956 /nfs/dbraw/zinc/55/49/56/806554956.db2.gz NSPPSVPCUYQJCO-OAHLLOKOSA-N 0 3 289.398 3.072 20 30 CGEDHN CC[C@@H](CC#N)NCC1(Cc2ccc(OC)cc2)CC1 ZINC001255161852 806559719 /nfs/dbraw/zinc/55/97/19/806559719.db2.gz AXIXKINTYJJNCE-HNNXBMFYSA-N 0 3 272.392 3.300 20 30 CGEDHN C=CCOCc1nn(C)c2c1CN([C@@H](C)CCCC)CC2 ZINC001255326581 806613433 /nfs/dbraw/zinc/61/34/33/806613433.db2.gz RRZHORBOKPCLJT-AWEZNQCLSA-N 0 3 291.439 3.060 20 30 CGEDHN Cc1cc(-n2c3ccccc3nc2[C@H](C)N)ccc1CC#N ZINC001162776714 806663274 /nfs/dbraw/zinc/66/32/74/806663274.db2.gz ASOOPVFETOMINS-ZDUSSCGKSA-N 0 3 290.370 3.420 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=Cc1ccco1 ZINC000122633025 798992314 /nfs/dbraw/zinc/99/23/14/798992314.db2.gz GDGJJOKQVVSWEA-MMQHEFTJSA-N 0 3 291.310 3.056 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)C)c1 ZINC000127548995 799013990 /nfs/dbraw/zinc/01/39/90/799013990.db2.gz LTRBWHQTVGNXDV-CQSZACIVSA-N 0 3 272.348 3.079 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000128413317 799018681 /nfs/dbraw/zinc/01/86/81/799018681.db2.gz UJYOOBOYAZGEKP-HNNXBMFYSA-N 0 3 286.375 3.333 20 30 CGEDHN N#Cc1cnc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC001255698576 806709703 /nfs/dbraw/zinc/70/97/03/806709703.db2.gz YCYZRNIYZBBUIG-IUCAKERBSA-N 0 3 289.326 3.225 20 30 CGEDHN CC/C=C/CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000588483047 799699621 /nfs/dbraw/zinc/69/96/21/799699621.db2.gz VDIIBXUSTCUPAV-BIRNACGLSA-N 0 3 288.391 3.230 20 30 CGEDHN Cc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000701820819 799894532 /nfs/dbraw/zinc/89/45/32/799894532.db2.gz QFVUKILMIFULGF-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccc(C)o1)C(C)(C)C ZINC000705244006 799946728 /nfs/dbraw/zinc/94/67/28/799946728.db2.gz KTIBFZNWATWIFM-CQSZACIVSA-N 0 3 271.364 3.116 20 30 CGEDHN Cc1cc(C)nc(NCc2ccc(C#N)c(F)c2)c1 ZINC000707986215 799981445 /nfs/dbraw/zinc/98/14/45/799981445.db2.gz NUJICLQFOQVREC-UHFFFAOYSA-N 0 3 255.296 3.321 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000809424239 800436921 /nfs/dbraw/zinc/43/69/21/800436921.db2.gz FUBDJBNNCXPUOW-AWEZNQCLSA-N 0 3 292.382 3.477 20 30 CGEDHN C#CCC1(NCC(=O)Nc2ccccc2C(C)C)CCC1 ZINC000933304521 800673646 /nfs/dbraw/zinc/67/36/46/800673646.db2.gz NMMTUPCILMPKSM-UHFFFAOYSA-N 0 3 284.403 3.284 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001028009202 800828622 /nfs/dbraw/zinc/82/86/22/800828622.db2.gz JQAQILVDQCUURC-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001028135441 800833080 /nfs/dbraw/zinc/83/30/80/800833080.db2.gz SBNVZWXAHZRPHJ-HNNXBMFYSA-N 0 3 298.430 3.118 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028336657 800843062 /nfs/dbraw/zinc/84/30/62/800843062.db2.gz AQMNHBYGIGYTIJ-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC ZINC001029456647 800868828 /nfs/dbraw/zinc/86/88/28/800868828.db2.gz KLBYVBQVVQQHMP-UXLLHSPISA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCC1 ZINC001032259728 800922507 /nfs/dbraw/zinc/92/25/07/800922507.db2.gz RCKYDXJKUMNXJO-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1=CCCCC1 ZINC001032317824 800924936 /nfs/dbraw/zinc/92/49/36/800924936.db2.gz BEWUBJDUFMJNGR-IRXDYDNUSA-N 0 3 288.435 3.128 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032422805 800927355 /nfs/dbraw/zinc/92/73/55/800927355.db2.gz MJPLQQKTUFEODF-KBPBESRZSA-N 0 3 298.858 3.096 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](C)CC ZINC001032422758 800928454 /nfs/dbraw/zinc/92/84/54/800928454.db2.gz KPMNEJJCJSYASX-XBFCOCLRSA-N 0 3 298.858 3.096 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CCC ZINC001032511548 800929041 /nfs/dbraw/zinc/92/90/41/800929041.db2.gz ROYGPKZTZPMJFV-IRXDYDNUSA-N 0 3 298.430 3.114 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033444623 800964308 /nfs/dbraw/zinc/96/43/08/800964308.db2.gz XSEGEKMMUZLUCK-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001033592762 800969548 /nfs/dbraw/zinc/96/95/48/800969548.db2.gz CWMDVPIKRYTIIF-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001033710847 800976678 /nfs/dbraw/zinc/97/66/78/800976678.db2.gz KEGAYUUHDCMSFU-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001034082178 801002424 /nfs/dbraw/zinc/00/24/24/801002424.db2.gz DDWAKXDVZFJKMS-KRWDZBQOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034332213 801018526 /nfs/dbraw/zinc/01/85/26/801018526.db2.gz VKDRZVRDUJJJEB-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034388572 801022776 /nfs/dbraw/zinc/02/27/76/801022776.db2.gz HLMYAHIPAAHPOI-SOLBZPMBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001034502051 801029636 /nfs/dbraw/zinc/02/96/36/801029636.db2.gz CGWQSGZECWEMGS-CYBMUJFWSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038288293 801122540 /nfs/dbraw/zinc/12/25/40/801122540.db2.gz LEKPRGQGVOUPOO-ZDUSSCGKSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001045478079 801275541 /nfs/dbraw/zinc/27/55/41/801275541.db2.gz RDVJWRLMANAQSA-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320544 801307003 /nfs/dbraw/zinc/30/70/03/801307003.db2.gz JMCOLKOYWZZZBS-WBVHZDCISA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049849267 801387607 /nfs/dbraw/zinc/38/76/07/801387607.db2.gz RTUKKKSPCSGMNL-SZMVWBNQSA-N 0 3 298.430 3.041 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071315460 801525745 /nfs/dbraw/zinc/52/57/45/801525745.db2.gz XWQHGPLTDKFAKM-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2csc(C)c2)CC[C@H]1C ZINC001071898172 801557318 /nfs/dbraw/zinc/55/73/18/801557318.db2.gz WWWJGXNDWXMHQK-IUODEOHRSA-N 0 3 292.448 3.215 20 30 CGEDHN CC(C)n1ncc2c1[C@H](N[C@H]1CC[C@H](C#N)C1)CCC2 ZINC001256580084 806920990 /nfs/dbraw/zinc/92/09/90/806920990.db2.gz DEOLPMHUVZVURK-AEGPPILISA-N 0 3 272.396 3.123 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085466128 801688152 /nfs/dbraw/zinc/68/81/52/801688152.db2.gz PBGWBFYEUKHZFC-QGZVFWFLSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085612421 801696852 /nfs/dbraw/zinc/69/68/52/801696852.db2.gz QXSRUWNAMWCHHP-IAGOWNOFSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085718995 801700478 /nfs/dbraw/zinc/70/04/78/801700478.db2.gz HAKGQDOWQIFECP-ARFHVFGLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773368 801704196 /nfs/dbraw/zinc/70/41/96/801704196.db2.gz ATIKUYDJTSUZTG-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CC[C@@H](C)F)CC1 ZINC001085800760 801704805 /nfs/dbraw/zinc/70/48/05/801704805.db2.gz BGSDMACCOIQAJD-GDBMZVCRSA-N 0 3 296.430 3.014 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085804366 801705239 /nfs/dbraw/zinc/70/52/39/801705239.db2.gz HQTKNHRTJNRDFK-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1CC ZINC001087564741 801757811 /nfs/dbraw/zinc/75/78/11/801757811.db2.gz RNBXJXCFRMPSOM-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1CC ZINC001087748767 801766807 /nfs/dbraw/zinc/76/68/07/801766807.db2.gz AMGVTXBIKGBRBQ-NWDGAFQWSA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2CC=CC2)C1 ZINC001088286322 801780077 /nfs/dbraw/zinc/78/00/77/801780077.db2.gz YBZCUQXLFCLENC-OAHLLOKOSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C(C)=C\C)C1 ZINC001088291951 801780990 /nfs/dbraw/zinc/78/09/90/801780990.db2.gz QDCWRVNBJLDHAL-MBNGJLNHSA-N 0 3 284.831 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088586381 801801113 /nfs/dbraw/zinc/80/11/13/801801113.db2.gz QJXARFNERQEXEW-ZACQAIPSSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC001089065374 801817892 /nfs/dbraw/zinc/81/78/92/801817892.db2.gz DPILEWBBCILVGV-ZBFHGGJFSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001099188004 801931590 /nfs/dbraw/zinc/93/15/90/801931590.db2.gz AYQDWGRPAXPODD-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC(=C)C ZINC001099189304 801932807 /nfs/dbraw/zinc/93/28/07/801932807.db2.gz QBOGCJULPKGKCA-HZPDHXFCSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCC)C2 ZINC001110057722 802129807 /nfs/dbraw/zinc/12/98/07/802129807.db2.gz HEBZBJUMTFBZRU-PMPSAXMXSA-N 0 3 278.440 3.254 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(CC)CC)C2 ZINC001110126483 802132300 /nfs/dbraw/zinc/13/23/00/802132300.db2.gz WKOJTLPNSOKZMY-ILXRZTDVSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001110367666 802138452 /nfs/dbraw/zinc/13/84/52/802138452.db2.gz QINYTGLTIYIQQQ-KURKYZTESA-N 0 3 298.430 3.183 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CC(C)C)C2 ZINC001111248470 802158467 /nfs/dbraw/zinc/15/84/67/802158467.db2.gz BFYMNLFCCAOFIV-VQHPVUNQSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113229939 802209385 /nfs/dbraw/zinc/20/93/85/802209385.db2.gz UIWVPRWSEIFSEQ-GJZGRUSLSA-N 0 3 280.456 3.025 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113246642 802209621 /nfs/dbraw/zinc/20/96/21/802209621.db2.gz QFDNGWUBFHQMHJ-DLBZAZTESA-N 0 3 294.483 3.415 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)C2CC2)CCCCC1 ZINC001115466100 802263976 /nfs/dbraw/zinc/26/39/76/802263976.db2.gz AXWMOUNEPMHDPH-ZDUSSCGKSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CC2(C)C)CCCCC1 ZINC001115486950 802265844 /nfs/dbraw/zinc/26/58/44/802265844.db2.gz YQRLYOYHXUKLGE-CYBMUJFWSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)CC2(C)CC2)CCCCC1 ZINC001115633498 802270636 /nfs/dbraw/zinc/27/06/36/802270636.db2.gz YQRXNVRNWMDWQN-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C#CC[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC001116387897 802340407 /nfs/dbraw/zinc/34/04/07/802340407.db2.gz QHIACHBMBLYKAP-WIYYLYMNSA-N 0 3 297.423 3.278 20 30 CGEDHN C#CCN(Cc1ccc([S@](C)=O)cc1)C1CCCCC1 ZINC001116443209 802349716 /nfs/dbraw/zinc/34/97/16/802349716.db2.gz KFQKNBVLKXLJAR-FQEVSTJZSA-N 0 3 289.444 3.192 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CCc2cc(Br)ccc21 ZINC001116643267 802390665 /nfs/dbraw/zinc/39/06/65/802390665.db2.gz NDBIRPKPPPGCTF-OCCSQVGLSA-N 0 3 296.208 3.227 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC001116643713 802391843 /nfs/dbraw/zinc/39/18/43/802391843.db2.gz TXJDJJCPUKUQTJ-CMPLNLGQSA-N 0 3 271.307 3.140 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)CC2CCCCC2)CC1 ZINC001278024081 809111651 /nfs/dbraw/zinc/11/16/51/809111651.db2.gz UKJUYKQYXJHYSB-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCc3ncccc32)cc1 ZINC001120282056 802738582 /nfs/dbraw/zinc/73/85/82/802738582.db2.gz HWBBXOYEINOGQZ-QGZVFWFLSA-N 0 3 263.344 3.120 20 30 CGEDHN CC[C@@H](F)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC001122392959 802868904 /nfs/dbraw/zinc/86/89/04/802868904.db2.gz GNUOQSBZNGLAKX-VXGBXAGGSA-N 0 3 256.280 3.159 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001123335989 802930227 /nfs/dbraw/zinc/93/02/27/802930227.db2.gz AVOPSSIOJIQRBQ-SGMGOOAPSA-N 0 3 273.380 3.152 20 30 CGEDHN C=CC(C)(C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001123478044 802948510 /nfs/dbraw/zinc/94/85/10/802948510.db2.gz YKZNRGYRLVXJLM-JTQLQIEISA-N 0 3 264.275 3.138 20 30 CGEDHN C#CCCCCC(=O)N[C@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001131976438 803363052 /nfs/dbraw/zinc/36/30/52/803363052.db2.gz KMLJIBOJAIIKKT-IRXDYDNUSA-N 0 3 290.451 3.115 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CC2(C)CCCC2)CC[C@@H]1C ZINC001132014359 803366677 /nfs/dbraw/zinc/36/66/77/803366677.db2.gz VCTWEILPOOHERL-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN N#C[C@H]1CCCN(Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136985763 803668151 /nfs/dbraw/zinc/66/81/51/803668151.db2.gz UTHQYTTXFBPOKI-LBPRGKRZSA-N 0 3 271.339 3.433 20 30 CGEDHN C[C@]1(F)CCCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001137115295 803685423 /nfs/dbraw/zinc/68/54/23/803685423.db2.gz HOKVYYPHEHRMSG-INIZCTEOSA-N 0 3 276.355 3.303 20 30 CGEDHN SCc1cccc(C2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001245430527 803735535 /nfs/dbraw/zinc/73/55/35/803735535.db2.gz YYWMOVFWMPICMV-QGZVFWFLSA-N 0 3 289.444 3.385 20 30 CGEDHN COc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(C#N)c1 ZINC001137704399 803760350 /nfs/dbraw/zinc/76/03/50/803760350.db2.gz DPZPNEYKCVAIGM-GUYCJALGSA-N 0 3 270.376 3.331 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc(-c3cncnc3)c2)C1 ZINC001137769030 803770143 /nfs/dbraw/zinc/77/01/43/803770143.db2.gz LOYYSJSSIBKXIH-HNNXBMFYSA-N 0 3 292.386 3.269 20 30 CGEDHN C=CCN(CC=C)Cc1cccc(-c2cncnc2)c1 ZINC001137770217 803771451 /nfs/dbraw/zinc/77/14/51/803771451.db2.gz CKHWRYLQMOXDHG-UHFFFAOYSA-N 0 3 265.360 3.318 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@](C)(F)C2)c1[O-] ZINC001138625491 803983011 /nfs/dbraw/zinc/98/30/11/803983011.db2.gz MLVXZSLHOFOMGD-INIZCTEOSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@](C)(F)C2)c1[O-] ZINC001138625491 803983018 /nfs/dbraw/zinc/98/30/18/803983018.db2.gz MLVXZSLHOFOMGD-INIZCTEOSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)C2CC(F)(F)C2)c1[O-] ZINC001138625185 803983808 /nfs/dbraw/zinc/98/38/08/803983808.db2.gz GKUHNVOLOYHLQH-UHFFFAOYSA-N 0 3 267.319 3.350 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)C2CC(F)(F)C2)c1[O-] ZINC001138625185 803983802 /nfs/dbraw/zinc/98/38/02/803983802.db2.gz GKUHNVOLOYHLQH-UHFFFAOYSA-N 0 3 267.319 3.350 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@H]2OCC[C@H]21 ZINC001138661893 803994980 /nfs/dbraw/zinc/99/49/80/803994980.db2.gz IJGCYULDTYAWOE-NVXWUHKLSA-N 0 3 273.376 3.005 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCCO[C@H](C)C1 ZINC001138663296 803996987 /nfs/dbraw/zinc/99/69/87/803996987.db2.gz RQCNMYUZEHQOEW-OAHLLOKOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)COc1ccccc1CN1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001138667425 803999130 /nfs/dbraw/zinc/99/91/30/803999130.db2.gz XCKLTLABFMEVHL-DOTOQJQBSA-N 0 3 299.414 3.443 20 30 CGEDHN C=CCOc1ccccc1CN1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001139030240 804114138 /nfs/dbraw/zinc/11/41/38/804114138.db2.gz BAZDBMJDOMWEES-ZBFHGGJFSA-N 0 3 285.387 3.052 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]3C2)cc1F ZINC001139527153 804201423 /nfs/dbraw/zinc/20/14/23/804201423.db2.gz YYWZKYGVNYPHEB-HIFRSBDPSA-N 0 3 258.340 3.319 20 30 CGEDHN N#Cc1cccc2c(CN3CCC4(CCOC4)CC3)c[nH]c21 ZINC001139701584 804259029 /nfs/dbraw/zinc/25/90/29/804259029.db2.gz KZSZVPZJOGBAGF-UHFFFAOYSA-N 0 3 295.386 3.042 20 30 CGEDHN CCCCCCCC[C@H](CCC)N[C@H]1CNCCC1=O ZINC001246292990 804262618 /nfs/dbraw/zinc/26/26/18/804262618.db2.gz OMAZFAHUZZZZRA-HOTGVXAUSA-N 0 3 282.472 3.426 20 30 CGEDHN Cc1ccnn1C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139727465 804267432 /nfs/dbraw/zinc/26/74/32/804267432.db2.gz RLJTUIYSBFMTEU-UHFFFAOYSA-N 0 3 294.402 3.209 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4cnccc43)CCC2S1 ZINC001140140832 804387476 /nfs/dbraw/zinc/38/74/76/804387476.db2.gz HBLXGBGSXROURH-INIZCTEOSA-N 0 3 296.395 3.009 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)cn1 ZINC001140543612 804457630 /nfs/dbraw/zinc/45/76/30/804457630.db2.gz CSUNHLIBKAKSTH-ZBFHGGJFSA-N 0 3 255.365 3.108 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4ccncc43)CCC2S1 ZINC001140641253 804481537 /nfs/dbraw/zinc/48/15/37/804481537.db2.gz FCHDVXKGRHVNGJ-MRXNPFEDSA-N 0 3 296.395 3.009 20 30 CGEDHN CC(C)[C@@H]1CCCN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140756957 804505839 /nfs/dbraw/zinc/50/58/39/804505839.db2.gz VRQDAIUOTVILMW-HNNXBMFYSA-N 0 3 264.319 3.457 20 30 CGEDHN N#CC1CCC(NCc2c(F)ccc(F)c2F)CC1 ZINC001256950914 807014942 /nfs/dbraw/zinc/01/49/42/807014942.db2.gz QUKSKBGWPIAVTJ-UHFFFAOYSA-N 0 3 268.282 3.276 20 30 CGEDHN COc1cccc2c1CN(C1CCC(C#N)CC1)CC2 ZINC001256965356 807019357 /nfs/dbraw/zinc/01/93/57/807019357.db2.gz RYOGBZFQRMNUNL-UHFFFAOYSA-N 0 3 270.376 3.136 20 30 CGEDHN C=CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)C(C)(C)C ZINC001141030566 804575437 /nfs/dbraw/zinc/57/54/37/804575437.db2.gz BVBIFIYBNGVSJW-UHFFFAOYSA-N 0 3 279.380 3.196 20 30 CGEDHN C=CC[N@H+](Cc1c([O-])cc(OC)cc1OC)C(C)(C)C ZINC001141030566 804575442 /nfs/dbraw/zinc/57/54/42/804575442.db2.gz BVBIFIYBNGVSJW-UHFFFAOYSA-N 0 3 279.380 3.196 20 30 CGEDHN C=CCCCCN(C)Cc1scc2c1OCCO2 ZINC001143190214 804817821 /nfs/dbraw/zinc/81/78/21/804817821.db2.gz HZRKVTCIJTZOAO-UHFFFAOYSA-N 0 3 267.394 3.307 20 30 CGEDHN C=CC[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001144020812 804925916 /nfs/dbraw/zinc/92/59/16/804925916.db2.gz IIVAIDJIBLHICP-WBVHZDCISA-N 0 3 286.419 3.152 20 30 CGEDHN N#Cc1cncc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001144083940 804935003 /nfs/dbraw/zinc/93/50/03/804935003.db2.gz ZNXACBIUKNITSU-INIZCTEOSA-N 0 3 281.334 3.082 20 30 CGEDHN Cc1ccc2c(CN3CCC(C#N)CC3)cccc2n1 ZINC001248550757 804950492 /nfs/dbraw/zinc/95/04/92/804950492.db2.gz RKKHOBCOYBFORD-UHFFFAOYSA-N 0 3 265.360 3.279 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001152313198 805344399 /nfs/dbraw/zinc/34/43/99/805344399.db2.gz IWDYSWZWIBDKPI-CYBMUJFWSA-N 0 3 280.437 3.041 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C2CCC2)cc1 ZINC001153744220 805413888 /nfs/dbraw/zinc/41/38/88/805413888.db2.gz UZMONNXDTXQMTR-OAHLLOKOSA-N 0 3 298.430 3.028 20 30 CGEDHN C[C@@H](CC#N)NC1CCC(OCc2ccccc2)CC1 ZINC001257827359 807222460 /nfs/dbraw/zinc/22/24/60/807222460.db2.gz WTYJNWUGJXXCBU-OOHWJJMZSA-N 0 3 272.392 3.406 20 30 CGEDHN CC(C)=CCC[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001258100072 807309064 /nfs/dbraw/zinc/30/90/64/807309064.db2.gz VVFRMQFSCJAHCM-INIZCTEOSA-N 0 3 298.434 3.210 20 30 CGEDHN CC(C)C[C@@H](Cc1ccccc1)N1CC[C@@H](C#N)C1 ZINC001169084215 807569396 /nfs/dbraw/zinc/56/93/96/807569396.db2.gz HUHPCKKHJCAIQZ-IRXDYDNUSA-N 0 3 256.393 3.489 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(c2nc3ccccc3o2)CC1 ZINC001258730074 807576547 /nfs/dbraw/zinc/57/65/47/807576547.db2.gz ANKSNBCCUYCOFT-CQSZACIVSA-N 0 3 285.391 3.305 20 30 CGEDHN C=C[C@@H](CO)NC#C[Si](C(C)C)(C(C)C)C(C)C ZINC001169780958 807707382 /nfs/dbraw/zinc/70/73/82/807707382.db2.gz KLJVBBAPJKCYIA-HNNXBMFYSA-N 0 3 267.489 3.302 20 30 CGEDHN C[C@@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)C[C@@H](C)O1 ZINC001170376583 807832332 /nfs/dbraw/zinc/83/23/32/807832332.db2.gz QUURNJROUPSCAE-FDCMFXBMSA-N 0 3 298.430 3.500 20 30 CGEDHN CCCCCC[C@H](CC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001170592906 807862678 /nfs/dbraw/zinc/86/26/78/807862678.db2.gz NXOGTZDSNGMFBT-KBPBESRZSA-N 0 3 272.433 3.245 20 30 CGEDHN CC[C@H](C)[C@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001263665133 807991609 /nfs/dbraw/zinc/99/16/09/807991609.db2.gz VDTOCAANYRIWAQ-QXEWZRGKSA-N 0 3 266.291 3.218 20 30 CGEDHN CC(C)n1cnc(CN[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171198123 808007758 /nfs/dbraw/zinc/00/77/58/808007758.db2.gz HOXIHOBSKZDFJL-AWEZNQCLSA-N 0 3 282.391 3.056 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cc(F)c(F)cc3C2)CCCC1 ZINC001171447880 808060759 /nfs/dbraw/zinc/06/07/59/808060759.db2.gz HVOSJGCKWHGTQP-AWEZNQCLSA-N 0 3 290.357 3.496 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001171459178 808064157 /nfs/dbraw/zinc/06/41/57/808064157.db2.gz SKEHMGBFPLNTPN-SOUVJXGZSA-N 0 3 279.424 3.252 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCCC)CCCC1 ZINC001264382646 808065779 /nfs/dbraw/zinc/06/57/79/808065779.db2.gz MSEGZFGEKJRMJT-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463332 808065827 /nfs/dbraw/zinc/06/58/27/808065827.db2.gz QSGCRSMGURZUML-OLZOCXBDSA-N 0 3 264.319 3.104 20 30 CGEDHN Cc1cccc2c1CC[C@@H](NCC1(C#N)CCC1)C2 ZINC001171548477 808090543 /nfs/dbraw/zinc/09/05/43/808090543.db2.gz BGTCMVQHYQAKIA-OAHLLOKOSA-N 0 3 254.377 3.136 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001265705855 808171612 /nfs/dbraw/zinc/17/16/12/808171612.db2.gz NWLKGIFFOMSWLI-BIYBCCJYSA-N 0 3 298.858 3.168 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001265705960 808172202 /nfs/dbraw/zinc/17/22/02/808172202.db2.gz PDRMTZRAFSDBOG-FSQQNCNXSA-N 0 3 298.858 3.312 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1noc2ccccc21 ZINC001172297079 808218389 /nfs/dbraw/zinc/21/83/89/808218389.db2.gz AKHWSYXLRAISRR-CYBMUJFWSA-N 0 3 291.354 3.420 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1ncccc1Cl ZINC001172302667 808221562 /nfs/dbraw/zinc/22/15/62/808221562.db2.gz OJTWUPBAACRAAR-GFCCVEGCSA-N 0 3 285.778 3.327 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CC2(C1)C[C@@H](F)CS2 ZINC001172310930 808223134 /nfs/dbraw/zinc/22/31/34/808223134.db2.gz LUEIFLRJRFKJPE-SWLSCSKDSA-N 0 3 290.407 3.019 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001266336477 808245112 /nfs/dbraw/zinc/24/51/12/808245112.db2.gz QFERROWKVZFBDD-NVXWUHKLSA-N 0 3 290.451 3.280 20 30 CGEDHN CCCCCCC[C@H](CC)N1CC2(C1)CS(=O)C2 ZINC001172355964 808251275 /nfs/dbraw/zinc/25/12/75/808251275.db2.gz FKZPQEOPJHCFFA-AWEZNQCLSA-N 0 3 271.470 3.190 20 30 CGEDHN C[C@@H]1CC[C@H](NC(=N)c2ccc(Cl)cn2)C[C@@H]1C ZINC001172358267 808253544 /nfs/dbraw/zinc/25/35/44/808253544.db2.gz GRLQHBQMAHMSTR-SCVCMEIPSA-N 0 3 265.788 3.265 20 30 CGEDHN CC(C)OCC[C@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001172441945 808316281 /nfs/dbraw/zinc/31/62/81/808316281.db2.gz FKMAODMRORRRTI-AWEZNQCLSA-N 0 3 272.392 3.120 20 30 CGEDHN CCCCCCC[C@@H](CCC)n1nncc1CN ZINC001172503009 808358484 /nfs/dbraw/zinc/35/84/84/808358484.db2.gz VOOOLIKUZINZPV-CYBMUJFWSA-N 0 3 252.406 3.439 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1cccc(C)c1 ZINC001267215936 808384375 /nfs/dbraw/zinc/38/43/75/808384375.db2.gz RLCXSMUUXOKWAZ-GOSISDBHSA-N 0 3 288.435 3.145 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1cc(C)oc1C)c1ccccc1 ZINC001267351110 808419777 /nfs/dbraw/zinc/41/97/77/808419777.db2.gz PMHJSWXEXXQFCF-QGZVFWFLSA-N 0 3 298.386 3.143 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCC1(C)C)c1ccccc1 ZINC001267518640 808437951 /nfs/dbraw/zinc/43/79/51/808437951.db2.gz BNGRESGNFYQJMV-CVEARBPZSA-N 0 3 286.419 3.056 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC001267522425 808438656 /nfs/dbraw/zinc/43/86/56/808438656.db2.gz GDXKEOYARKFZEU-NVXWUHKLSA-N 0 3 288.435 3.302 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)CCC)c1ccccc1 ZINC001267516509 808438703 /nfs/dbraw/zinc/43/87/03/808438703.db2.gz DVRUUIHFSCHYJP-WBVHZDCISA-N 0 3 288.435 3.446 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CN(C)C[C@H](F)CC)C1 ZINC001267669481 808467347 /nfs/dbraw/zinc/46/73/47/808467347.db2.gz FRQRQUYGHZYYQK-HUUCEWRRSA-N 0 3 298.446 3.117 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1=CCCCC1 ZINC001267704418 808474364 /nfs/dbraw/zinc/47/43/64/808474364.db2.gz PIBXYQOUDAYSHN-IRXDYDNUSA-N 0 3 288.435 3.128 20 30 CGEDHN CCCN(CCC#N)C1CCC2(CCOCC2)CC1 ZINC001173049847 808499870 /nfs/dbraw/zinc/49/98/70/808499870.db2.gz IXYSNGJUMHRSQH-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)CNCc1ccccc1Cl ZINC001268659706 808605977 /nfs/dbraw/zinc/60/59/77/808605977.db2.gz ATFSNAFDRYYOOY-CYBMUJFWSA-N 0 3 294.826 3.291 20 30 CGEDHN C=CCOC1CCC(N(CCC)CCC#N)CC1 ZINC001173327165 808613220 /nfs/dbraw/zinc/61/32/20/808613220.db2.gz HSXUTSWEEVFYGO-UHFFFAOYSA-N 0 3 250.386 3.126 20 30 CGEDHN N#CCC1CCC(NCc2ncccc2Cl)CC1 ZINC001173327441 808614197 /nfs/dbraw/zinc/61/41/97/808614197.db2.gz BOGXQELRACUPPP-UHFFFAOYSA-N 0 3 263.772 3.297 20 30 CGEDHN Cc1nc2ccc(Nc3ccc(N)cc3C#N)cc2[nH]1 ZINC001213076468 815224660 /nfs/dbraw/zinc/22/46/60/815224660.db2.gz SQVOTIQRYJJWFV-UHFFFAOYSA-N 0 3 263.304 3.069 20 30 CGEDHN CCCCCCCCC(=O)N1CCC2(CN(C)C2)CC1 ZINC001269088430 808647737 /nfs/dbraw/zinc/64/77/37/808647737.db2.gz DAIXFHVLYHZHPT-UHFFFAOYSA-N 0 3 280.456 3.291 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001269189122 808653011 /nfs/dbraw/zinc/65/30/11/808653011.db2.gz OMTYUOLNSOKKKS-JSGCOSHPSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1CC/C=C/CC ZINC001269272593 808661922 /nfs/dbraw/zinc/66/19/22/808661922.db2.gz LWGKPHDPSRGZRC-KIUWMYQTSA-N 0 3 278.440 3.136 20 30 CGEDHN Cc1nsc(Nc2ccccc2CN(C)C)c1C#N ZINC001173927857 808766641 /nfs/dbraw/zinc/76/66/41/808766641.db2.gz QIXHFSSOMWUSAY-UHFFFAOYSA-N 0 3 272.377 3.128 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1occc1C(C)C ZINC001272978356 808829536 /nfs/dbraw/zinc/82/95/36/808829536.db2.gz RLFQNDIRWXCQBS-GFCCVEGCSA-N 0 3 298.814 3.254 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001273466486 808846283 /nfs/dbraw/zinc/84/62/83/808846283.db2.gz PGHZVYWYKPCMFR-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCC(=O)N(C)CCCN(C)Cc1csc(C)c1 ZINC001273488636 808847608 /nfs/dbraw/zinc/84/76/08/808847608.db2.gz OXCDEAXCSAASJO-UHFFFAOYSA-N 0 3 294.464 3.303 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)C1CCCC1 ZINC001275113622 808909436 /nfs/dbraw/zinc/90/94/36/808909436.db2.gz BDELDIYBMPWZGU-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(C)c1C ZINC001275167614 808918506 /nfs/dbraw/zinc/91/85/06/808918506.db2.gz QWXLVWDZMILAAH-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001276971083 809052182 /nfs/dbraw/zinc/05/21/82/809052182.db2.gz YDDVXGUXVYYXQZ-HNNXBMFYSA-N 0 3 291.439 3.098 20 30 CGEDHN Cc1cnccc1Nc1cc(C#N)ccc1Br ZINC001174538948 809071172 /nfs/dbraw/zinc/07/11/72/809071172.db2.gz WKQYEPCWDOKNBB-UHFFFAOYSA-N 0 3 288.148 3.190 20 30 CGEDHN Cc1cnccc1Nc1cc(C#N)cc(C(F)(F)F)c1 ZINC001174540012 809072508 /nfs/dbraw/zinc/07/25/08/809072508.db2.gz WFNOOOYNYAKSAH-UHFFFAOYSA-N 0 3 277.249 3.446 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001278094649 809115242 /nfs/dbraw/zinc/11/52/42/809115242.db2.gz LVZGKXJADPQFTE-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCC(C)(C)C1)C(C)C ZINC001278917811 809155122 /nfs/dbraw/zinc/15/51/22/809155122.db2.gz JMZQMRMUQWYCRK-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCCN(C)CCN(C(=O)CC1CC(C)(C)C1)C(C)C ZINC001278918076 809155878 /nfs/dbraw/zinc/15/58/78/809155878.db2.gz LXCOIPUSNSTLEF-UHFFFAOYSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H](C)CC ZINC001280315010 809184296 /nfs/dbraw/zinc/18/42/96/809184296.db2.gz HJLHDDNXCKMVCJ-OAHLLOKOSA-N 0 3 288.435 3.357 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1(C)CC=CC1 ZINC001282309973 809239958 /nfs/dbraw/zinc/23/99/58/809239958.db2.gz BNOPOBAPFIEEPL-UHFFFAOYSA-N 0 3 298.858 3.169 20 30 CGEDHN CCCC[C@H](CNC[C@@H](F)CC)NC(=O)C#CC(C)(C)C ZINC001282640246 809255793 /nfs/dbraw/zinc/25/57/93/809255793.db2.gz VQPTWZRVGVRLKP-LSDHHAIUSA-N 0 3 298.446 3.049 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)C2CN(CC(=C)C)C2)CCCC1 ZINC001282739931 809261967 /nfs/dbraw/zinc/26/19/67/809261967.db2.gz LYWCZDZURWUNES-HNNXBMFYSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C1CCC=CCC1 ZINC001283278039 809274401 /nfs/dbraw/zinc/27/44/01/809274401.db2.gz GXAJACNGOMYUTE-CQSZACIVSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCCC)[C@H]1C ZINC001284118533 809296676 /nfs/dbraw/zinc/29/66/76/809296676.db2.gz JWKYPQKGCUFURW-CABCVRRESA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1ccccc1 ZINC001297380510 809516192 /nfs/dbraw/zinc/51/61/92/809516192.db2.gz ZWSQSFYALAAZQI-INIZCTEOSA-N 0 3 288.435 3.147 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C(CC)(CC)CC ZINC001297373222 809516630 /nfs/dbraw/zinc/51/66/30/809516630.db2.gz OYBPNDIHKFFJSM-UHFFFAOYSA-N 0 3 268.445 3.169 20 30 CGEDHN N#Cc1c(Cl)ccc(Nc2ncc[nH]2)c1Cl ZINC001176090361 809620308 /nfs/dbraw/zinc/62/03/08/809620308.db2.gz CSTISLCYWXXEND-UHFFFAOYSA-N 0 3 253.092 3.332 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001177309926 809793444 /nfs/dbraw/zinc/79/34/44/809793444.db2.gz KTIFBNJKZUDHGQ-OCCSQVGLSA-N 0 3 286.847 3.051 20 30 CGEDHN C=CC[C@@H](NCc1ccc2c(c1)OCCO2)c1ccncc1 ZINC001177886183 809829038 /nfs/dbraw/zinc/82/90/38/809829038.db2.gz ZUCXKHQPWNICEC-MRXNPFEDSA-N 0 3 296.370 3.260 20 30 CGEDHN C#C[C@H](NCc1cccc2c(OC)cccc12)[C@H]1CCCO1 ZINC001178528915 809873758 /nfs/dbraw/zinc/87/37/58/809873758.db2.gz SQWCWTHZYKKVHX-PKOBYXMFSA-N 0 3 295.382 3.119 20 30 CGEDHN C=CC[C@@H](NC(=O)CN(C)C1CCCC1)c1ccccc1 ZINC001180630445 810014935 /nfs/dbraw/zinc/01/49/35/810014935.db2.gz JWJNPNCLLKESGX-QGZVFWFLSA-N 0 3 286.419 3.294 20 30 CGEDHN CN(Cc1cc(C#N)cs1)Cc1cccc2n[nH]cc21 ZINC001184034943 810175411 /nfs/dbraw/zinc/17/54/11/810175411.db2.gz JZQKJEFFOYMODG-UHFFFAOYSA-N 0 3 282.372 3.128 20 30 CGEDHN CN1CCC[C@H](C(=O)Nc2sc3ccccc3c2C#N)C1 ZINC001186351772 810331045 /nfs/dbraw/zinc/33/10/45/810331045.db2.gz QSNIYMPKVOXNIL-NSHDSACASA-N 0 3 299.399 3.053 20 30 CGEDHN N#Cc1ccnc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001191071515 810671191 /nfs/dbraw/zinc/67/11/91/810671191.db2.gz WTWJJWDKQMEATD-INIZCTEOSA-N 0 3 295.361 3.157 20 30 CGEDHN CCC#C[C@@H](C)N1CCC2(CC1)OCc1ccccc12 ZINC001192161766 810772537 /nfs/dbraw/zinc/77/25/37/810772537.db2.gz XYFANWYLCYYUFU-OAHLLOKOSA-N 0 3 269.388 3.310 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H](N(C)CC=C(C)C)C2)CCC1 ZINC001192190478 810773650 /nfs/dbraw/zinc/77/36/50/810773650.db2.gz RBEAXBUNGNLEQH-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCC1(C(=O)N2CC[C@@H](N(C)CC=C(C)C)C2)CC1 ZINC001192206561 810775846 /nfs/dbraw/zinc/77/58/46/810775846.db2.gz PNCZUTQAPKEUBH-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCCN(CCCCCF)CC1 ZINC001195990283 811309963 /nfs/dbraw/zinc/30/99/63/811309963.db2.gz PXOHXIMFQHKIJY-UHFFFAOYSA-N 0 3 298.446 3.263 20 30 CGEDHN CC(C)C[C@@H](C)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC001197041038 811395004 /nfs/dbraw/zinc/39/50/04/811395004.db2.gz GEPCRZLUINTDBX-CQSZACIVSA-N 0 3 289.398 3.254 20 30 CGEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC001197701248 811447052 /nfs/dbraw/zinc/44/70/52/811447052.db2.gz GCMUGNBEOSAARX-STQMWFEESA-N 0 3 290.794 3.012 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](CC)C(C)C)CC1 ZINC001197879645 811460411 /nfs/dbraw/zinc/46/04/11/811460411.db2.gz KSZZMRVYQXJUHP-MRXNPFEDSA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCC[C@H]1CCCN1Cc1cn(C)nc1C(F)F ZINC001198406272 811498512 /nfs/dbraw/zinc/49/85/12/811498512.db2.gz HUNORFNCNZTPIH-LBPRGKRZSA-N 0 3 269.339 3.288 20 30 CGEDHN C=CCNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001199059727 811555925 /nfs/dbraw/zinc/55/59/25/811555925.db2.gz HFESYGCKDZRCRT-UHFFFAOYSA-N 0 3 295.308 3.226 20 30 CGEDHN CCCCCCCCCN1CCN(C(C)=O)[C@@H](C)C1 ZINC001201852779 811972773 /nfs/dbraw/zinc/97/27/73/811972773.db2.gz LHTHNIJCJCCOIT-HNNXBMFYSA-N 0 3 268.445 3.290 20 30 CGEDHN C#C[C@H](CC)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001205714331 813058969 /nfs/dbraw/zinc/05/89/69/813058969.db2.gz ZGXZYQKVGDYDFM-XLNGHYISSA-N 0 3 289.444 3.326 20 30 CGEDHN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCN1CCN(C)CC1 ZINC001206594934 813369196 /nfs/dbraw/zinc/36/91/96/813369196.db2.gz CUUIUAVZOMCLNO-SQNIBIBYSA-N 0 3 294.483 3.021 20 30 CGEDHN C=C[C@H](CCCCCC)OCCCN1CCN(C)CC1 ZINC001206595847 813369487 /nfs/dbraw/zinc/36/94/87/813369487.db2.gz JIAUSSDCMQTICJ-QGZVFWFLSA-N 0 3 282.472 3.166 20 30 CGEDHN CCCCCCCN(C)Cc1cncc(OC)c1 ZINC001206994992 813461521 /nfs/dbraw/zinc/46/15/21/813461521.db2.gz IIBJARCRCADITK-UHFFFAOYSA-N 0 3 250.386 3.492 20 30 CGEDHN C=CCCCCCCCCCN(C)CC(=O)N(C)C ZINC001207899412 813667313 /nfs/dbraw/zinc/66/73/13/813667313.db2.gz YYQFDTNVMAXVOH-UHFFFAOYSA-N 0 3 268.445 3.313 20 30 CGEDHN CCCCCCC/C=C/CN1CC2(C1)CCN(C)C2=O ZINC001208122865 813698386 /nfs/dbraw/zinc/69/83/86/813698386.db2.gz AZTZOTWMNHVLHG-MDZDMXLPSA-N 0 3 278.440 3.067 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@H](F)[C@H](O)C1 ZINC001208120964 813698715 /nfs/dbraw/zinc/69/87/15/813698715.db2.gz XDZYDGQEKYMUAF-MATWNZDUSA-N 0 3 257.393 3.308 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001208867334 813873676 /nfs/dbraw/zinc/87/36/76/813873676.db2.gz BZVXSVGQAXWJSL-RRFJBIMHSA-N 0 3 280.456 3.071 20 30 CGEDHN C[C@]1(C#N)CCN(CC2CCN(c3ccccc3)CC2)C1 ZINC001208911579 813897274 /nfs/dbraw/zinc/89/72/74/813897274.db2.gz YEEBMRLLWZHHRN-GOSISDBHSA-N 0 3 283.419 3.139 20 30 CGEDHN C=CCCCCN1CC[C@@H](n2cc(Br)cn2)C1 ZINC001209208155 813968243 /nfs/dbraw/zinc/96/82/43/813968243.db2.gz KQEGUEQJTWNQHA-CYBMUJFWSA-N 0 3 298.228 3.249 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001209209334 813969711 /nfs/dbraw/zinc/96/97/11/813969711.db2.gz UNYYAACZTFSEHF-BZUAXINKSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCCCCCN1CC(C(=O)OCC)C1 ZINC001209439713 814038783 /nfs/dbraw/zinc/03/87/83/814038783.db2.gz WOXUCZDJESCUJK-UHFFFAOYSA-N 0 3 253.386 3.008 20 30 CGEDHN C=CCCCCCCCN1CCCC2(C1)OCCO2 ZINC001209440824 814041461 /nfs/dbraw/zinc/04/14/61/814041461.db2.gz DVMXEIFBZZBMSN-UHFFFAOYSA-N 0 3 267.413 3.352 20 30 CGEDHN C=CCCCCN(C)Cc1cc2c(cn1)OCCC2 ZINC001209509498 814069813 /nfs/dbraw/zinc/06/98/13/814069813.db2.gz DFFXNBKOTGQODZ-UHFFFAOYSA-N 0 3 260.381 3.195 20 30 CGEDHN Cc1n[nH]cc1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001209555617 814083499 /nfs/dbraw/zinc/08/34/99/814083499.db2.gz ASOSMZYGFIQPHA-UHFFFAOYSA-N 0 3 294.402 3.045 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001210112067 814295837 /nfs/dbraw/zinc/29/58/37/814295837.db2.gz RQDATDJNUKMLQK-IXDOHACOSA-N 0 3 294.483 3.461 20 30 CGEDHN CC(C)(C)c1cc(Nc2cccnc2C#N)ccn1 ZINC001210142242 814309184 /nfs/dbraw/zinc/30/91/84/814309184.db2.gz UFQGKGREKFUESI-UHFFFAOYSA-N 0 3 252.321 3.389 20 30 CGEDHN CN(C)[C@H]1CCOc2c(Nc3cccnc3C#N)cccc21 ZINC001210148005 814311539 /nfs/dbraw/zinc/31/15/39/814311539.db2.gz NTEMISUFCDCABT-INIZCTEOSA-N 0 3 294.358 3.082 20 30 CGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001211217699 814853275 /nfs/dbraw/zinc/85/32/75/814853275.db2.gz FFSJWJYRURWLKG-BRWVUGGUSA-N 0 3 292.467 3.053 20 30 CGEDHN CCCCCCC[C@@H](C)OC[C@H]1COC(C)(C)N1 ZINC001217842305 815976241 /nfs/dbraw/zinc/97/62/41/815976241.db2.gz ZPWSERFYWHIXNU-KGLIPLIRSA-N 0 3 257.418 3.477 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](CC)CCCC)[C@@H]2C1 ZINC001221301590 816309137 /nfs/dbraw/zinc/30/91/37/816309137.db2.gz VGKJCVYACIAPFH-BRWVUGGUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H](C)CC(C)C)[C@@H]2C1 ZINC001221940241 816337089 /nfs/dbraw/zinc/33/70/89/816337089.db2.gz BLALRZPNZQFSCM-BRWVUGGUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](CC)CCCC)C[C@@H]21 ZINC001222310535 816404734 /nfs/dbraw/zinc/40/47/34/816404734.db2.gz QDFWPVZVUQWWFB-ZACQAIPSSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCn1cc(-c2ccc(CN3CCCC3)c(F)c2)cn1 ZINC001222408894 816437632 /nfs/dbraw/zinc/43/76/32/816437632.db2.gz DDHLWSUQZZIFPG-UHFFFAOYSA-N 0 3 285.366 3.471 20 30 CGEDHN C#CCN1CCC(CNC(=O)[C@@H](CC)CCCCC)CC1 ZINC001225524329 817084795 /nfs/dbraw/zinc/08/47/95/817084795.db2.gz AEMLRAIFWADPQJ-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN CC(C)c1ccc(C#N)c(O[C@H]2CCCN(C(C)C)C2)n1 ZINC001226354705 817334188 /nfs/dbraw/zinc/33/41/88/817334188.db2.gz ZMOFMBKHFKADSN-HNNXBMFYSA-N 0 3 287.407 3.328 20 30 CGEDHN CC(C)N1CC[C@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550946 817395339 /nfs/dbraw/zinc/39/53/39/817395339.db2.gz WOXCQGPDLOUYSX-AWEZNQCLSA-N 0 3 287.407 3.112 20 30 CGEDHN CCC[C@H](C#Cc1ccccc1)Oc1ccnc(N)c1 ZINC001226653334 817424953 /nfs/dbraw/zinc/42/49/53/817424953.db2.gz HYFBMKXSMODIDK-OAHLLOKOSA-N 0 3 266.344 3.263 20 30 CGEDHN N#Cc1ccc(F)c(O[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001227055758 817545918 /nfs/dbraw/zinc/54/59/18/817545918.db2.gz LBFQGPWRNBVFRJ-INIZCTEOSA-N 0 3 296.345 3.351 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](Oc3cccc(C)n3)C2)c1 ZINC001231664725 818153408 /nfs/dbraw/zinc/15/34/08/818153408.db2.gz VMCRTBIBMJDIDO-GOSISDBHSA-N 0 3 292.382 3.025 20 30 CGEDHN COc1cccc2[nH]cc(CN3CCC(C)(C#N)CC3)c21 ZINC001232036220 818237474 /nfs/dbraw/zinc/23/74/74/818237474.db2.gz CNTKSNOUCBFPRV-UHFFFAOYSA-N 0 3 283.375 3.302 20 30 CGEDHN Fc1cccc2c(CN3CCC(S)CC3)ccnc12 ZINC001232211592 818278905 /nfs/dbraw/zinc/27/89/05/818278905.db2.gz HLHBXXGCPPRYRZ-UHFFFAOYSA-N 0 3 276.380 3.268 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232463463 818358361 /nfs/dbraw/zinc/35/83/61/818358361.db2.gz KVGKERZMHMHMPH-LLVKDONJSA-N 0 3 273.767 3.062 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)s1 ZINC001232844209 818455115 /nfs/dbraw/zinc/45/51/15/818455115.db2.gz JLJZSGICFBSANQ-AOOOYVTPSA-N 0 3 268.332 3.097 20 30 CGEDHN C[C@@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)[C@@H]1C ZINC001233100540 818522116 /nfs/dbraw/zinc/52/21/16/818522116.db2.gz JPENXQZJTZNMDR-CHWSQXEVSA-N 0 3 289.398 3.384 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1cc(C)c[nH]c1=O ZINC001233194911 818538770 /nfs/dbraw/zinc/53/87/70/818538770.db2.gz GTYYUMGMRRZEAI-UHFFFAOYSA-N 0 3 268.360 3.284 20 30 CGEDHN Cc1ccc(Cl)cc1CN1CCC2SC(=O)C=C2C1 ZINC001233248619 818552794 /nfs/dbraw/zinc/55/27/94/818552794.db2.gz RYANYXKORAFCJO-AWEZNQCLSA-N 0 3 293.819 3.423 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC001233520457 818632315 /nfs/dbraw/zinc/63/23/15/818632315.db2.gz MJNBKYAYAKORIZ-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654146 818670880 /nfs/dbraw/zinc/67/08/80/818670880.db2.gz OUUMMSMZEIATCK-KGLIPLIRSA-N 0 3 282.403 3.137 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866497 818720699 /nfs/dbraw/zinc/72/06/99/818720699.db2.gz RCJWSRDMOOXIKO-CZUORRHYSA-N 0 3 290.407 3.089 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001233999246 818751527 /nfs/dbraw/zinc/75/15/27/818751527.db2.gz LKIIUTBVYIEARB-CYBMUJFWSA-N 0 3 281.359 3.066 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccsc1C ZINC001234141508 818789305 /nfs/dbraw/zinc/78/93/05/818789305.db2.gz PAUHZNISRHCFTN-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C#CCN(C)Cc1c(C)cc(Br)cc1C ZINC001235789499 819167949 /nfs/dbraw/zinc/16/79/49/819167949.db2.gz NBCQCYUVQOPWBM-UHFFFAOYSA-N 0 3 266.182 3.131 20 30 CGEDHN CCc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001236793960 819597098 /nfs/dbraw/zinc/59/70/98/819597098.db2.gz HXUGMAZMGFYOBL-CQSZACIVSA-N 0 3 258.365 3.080 20 30 CGEDHN CCc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001236793960 819597099 /nfs/dbraw/zinc/59/70/99/819597099.db2.gz HXUGMAZMGFYOBL-CQSZACIVSA-N 0 3 258.365 3.080 20 30 CGEDHN C=CCN(C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236910364 819636499 /nfs/dbraw/zinc/63/64/99/819636499.db2.gz AYUNKHBNXQRKKB-UHFFFAOYSA-N 0 3 261.756 3.144 20 30 CGEDHN Cc1c(CN2CCC3SC(=O)C=C3C2)ccc(F)c1F ZINC001237158834 819684874 /nfs/dbraw/zinc/68/48/74/819684874.db2.gz OONBXTVLKUDXAV-ZDUSSCGKSA-N 0 3 295.354 3.047 20 30 CGEDHN Cn1cc(CN2CC3(C2)CCCC3)c2cc(C#N)ccc21 ZINC001237469865 819758648 /nfs/dbraw/zinc/75/86/48/819758648.db2.gz ZIQSWARLEXFQRB-UHFFFAOYSA-N 0 3 279.387 3.426 20 30 CGEDHN C=CCN(CC=C)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237471683 819759390 /nfs/dbraw/zinc/75/93/90/819759390.db2.gz XHGBEJLRSWQWFH-UHFFFAOYSA-N 0 3 265.360 3.224 20 30 CGEDHN CC1(C#N)CCN(Cc2n[nH]c3cc(Cl)ccc23)CC1 ZINC001238001555 819907449 /nfs/dbraw/zinc/90/74/49/819907449.db2.gz VUDDAZANQBETQF-UHFFFAOYSA-N 0 3 288.782 3.342 20 30 CGEDHN N#Cc1ccc(C=Cc2ccc3[nH]c(N)nc3c2)cc1 ZINC001239297614 820256884 /nfs/dbraw/zinc/25/68/84/820256884.db2.gz UOQLQNNGBKPFHG-DAFODLJHSA-N 0 3 260.300 3.187 20 30 CGEDHN N#Cc1ccc(C=Cc2ccc3nc(N)[nH]c3c2)cc1 ZINC001239297614 820256892 /nfs/dbraw/zinc/25/68/92/820256892.db2.gz UOQLQNNGBKPFHG-DAFODLJHSA-N 0 3 260.300 3.187 20 30 CGEDHN CN(Cc1ccc(-c2cc(F)c(C#N)c(F)c2)nc1)C1CC1 ZINC001239921926 820699634 /nfs/dbraw/zinc/69/96/34/820699634.db2.gz YMFCVJRDNJCDLM-UHFFFAOYSA-N 0 3 299.324 3.493 20 30 CGEDHN CS[C@H]1CC[C@@H](N(C)Cc2csc(C#N)c2)C1 ZINC001335421055 936144603 /nfs/dbraw/zinc/14/46/03/936144603.db2.gz KVCAFQZDAKTKTE-NEPJUHHUSA-N 0 3 266.435 3.336 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001340605471 936409145 /nfs/dbraw/zinc/40/91/45/936409145.db2.gz ZCNCNBIVEKXXHY-CZUORRHYSA-N 0 3 292.398 3.419 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)nn1CCCCC ZINC001340749603 936412871 /nfs/dbraw/zinc/41/28/71/936412871.db2.gz YFUHEYFZDCZJFL-AWEZNQCLSA-N 0 3 292.427 3.004 20 30 CGEDHN Cc1ccccc1[C@@H](CO)NCc1c(C)cc(C#N)cc1C ZINC001340989240 936422706 /nfs/dbraw/zinc/42/27/06/936422706.db2.gz HHJRUXBJKSOFTM-LJQANCHMSA-N 0 3 294.398 3.307 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(Cl)cc1Cl)CC1CC1 ZINC001341213504 936431222 /nfs/dbraw/zinc/43/12/22/936431222.db2.gz WPIOAJUFTPVWEL-HNNXBMFYSA-N 0 3 298.213 3.372 20 30 CGEDHN C=C1CCN(Cc2ccccc2N2CCCC2)CC1 ZINC001341568224 936442568 /nfs/dbraw/zinc/44/25/68/936442568.db2.gz RVDYTCCGMYFXKU-UHFFFAOYSA-N 0 3 256.393 3.439 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC001341810225 936452200 /nfs/dbraw/zinc/45/22/00/936452200.db2.gz JILIVPGLKLSJDG-CYBMUJFWSA-N 0 3 282.334 3.420 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1ccccc1C ZINC001344322150 936529571 /nfs/dbraw/zinc/52/95/71/936529571.db2.gz IUHRQGYPIARGGQ-ZBFHGGJFSA-N 0 3 295.386 3.267 20 30 CGEDHN N#CC(C(=O)CCCc1ccccc1)c1cccc(F)n1 ZINC001344587506 936539389 /nfs/dbraw/zinc/53/93/89/936539389.db2.gz RQKHAIDKSAHNOF-AWEZNQCLSA-N 0 3 282.318 3.420 20 30 CGEDHN C[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)C(F)(F)F ZINC001345622186 936817838 /nfs/dbraw/zinc/81/78/38/936817838.db2.gz VBYDOZSYPXUHER-POYBYMJQSA-N 0 3 292.207 3.125 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001347338846 936880261 /nfs/dbraw/zinc/88/02/61/936880261.db2.gz VUQVCSGMVLFGGW-AXFHLTTASA-N 0 3 293.798 3.322 20 30 CGEDHN C[C@H](CCC#N)CN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001352864840 937051856 /nfs/dbraw/zinc/05/18/56/937051856.db2.gz VKZCFRHVYMIZEW-GFCCVEGCSA-N 0 3 262.401 3.079 20 30 CGEDHN CCCC(C)(C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346765291 926712895 /nfs/dbraw/zinc/71/28/95/926712895.db2.gz WDSCAIDKHNHCHB-SNVBAGLBSA-N 0 3 266.291 3.362 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001480899434 926760900 /nfs/dbraw/zinc/76/09/00/926760900.db2.gz MRYXNKPDRZZFFO-CYBMUJFWSA-N 0 3 292.398 3.147 20 30 CGEDHN C=C1CC(C)(C(=O)NCCCN(C/C=C/Cl)C(C)C)C1 ZINC001481354825 926967289 /nfs/dbraw/zinc/96/72/89/926967289.db2.gz XYMAOILAWADQJO-FNORWQNLSA-N 0 3 298.858 3.312 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCC ZINC001481385823 926972771 /nfs/dbraw/zinc/97/27/71/926972771.db2.gz YUJPQXYJZSMNAD-JZXOWHBKSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1coc2ccccc12 ZINC001482654493 927338204 /nfs/dbraw/zinc/33/82/04/927338204.db2.gz KKTVKVFSGDLXGL-UHFFFAOYSA-N 0 3 286.375 3.013 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1csc(C)n1 ZINC001357346013 937170464 /nfs/dbraw/zinc/17/04/64/937170464.db2.gz GFWQYVHHAPJVCT-CQSZACIVSA-N 0 3 297.468 3.146 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001483654010 927560790 /nfs/dbraw/zinc/56/07/90/927560790.db2.gz VGCXEJYVEUFYRY-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)CCCC[C@H](C)CC)C1 ZINC001484045310 927667326 /nfs/dbraw/zinc/66/73/26/927667326.db2.gz PUOZJAPMRPSILI-WBVHZDCISA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](CC)CCCCC)C1 ZINC001484070079 927668548 /nfs/dbraw/zinc/66/85/48/927668548.db2.gz BRHKHSNBLDFMFV-DOTOQJQBSA-N 0 3 280.456 3.360 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(F)(F)CC1 ZINC001357938850 937183819 /nfs/dbraw/zinc/18/38/19/937183819.db2.gz NMCTUYPCOCNDSD-ZDUSSCGKSA-N 0 3 290.398 3.322 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001484504701 927713869 /nfs/dbraw/zinc/71/38/69/927713869.db2.gz AYUHHOLVSBWLHG-AWEZNQCLSA-N 0 3 298.858 3.147 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)CC(C)(C)CNCC(=C)Cl ZINC001485258118 927835936 /nfs/dbraw/zinc/83/59/36/927835936.db2.gz ZOYTUGXTDWEVSP-UHFFFAOYSA-N 0 3 286.847 3.025 20 30 CGEDHN C=CC[C@@H](C)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001559543016 937210313 /nfs/dbraw/zinc/21/03/13/937210313.db2.gz KIAOELFXOGTBTB-MCIONIFRSA-N 0 3 282.428 3.281 20 30 CGEDHN C[C@]1(F)CCN(C2CCC(CC#N)CC2)C[C@H]1F ZINC001173330901 928228437 /nfs/dbraw/zinc/22/84/37/928228437.db2.gz HJTWEHGHICVAOY-PQAZSJQKSA-N 0 3 256.340 3.231 20 30 CGEDHN C[C@@]1(F)CCN(C2CCC(CC#N)CC2)C[C@@H]1F ZINC001173330896 928229417 /nfs/dbraw/zinc/22/94/17/928229417.db2.gz HJTWEHGHICVAOY-CLRIEMFWSA-N 0 3 256.340 3.231 20 30 CGEDHN CCc1ccccc1CNCc1ccc(OCC#N)cc1 ZINC000084200985 928245537 /nfs/dbraw/zinc/24/55/37/928245537.db2.gz SHWPCJAIZHRUOQ-UHFFFAOYSA-N 0 3 280.371 3.441 20 30 CGEDHN C=CCCC(=O)N(CCC)C1CCN(CC(=C)C)CC1 ZINC001490612148 928379089 /nfs/dbraw/zinc/37/90/89/928379089.db2.gz BGTUUTLUTSKCFG-UHFFFAOYSA-N 0 3 278.440 3.232 20 30 CGEDHN COc1ccc(C[C@@H](C)N(C)Cc2cc(C#N)ccn2)cc1 ZINC001459412582 937487360 /nfs/dbraw/zinc/48/73/60/937487360.db2.gz CXANXWVYAGVILO-CQSZACIVSA-N 0 3 295.386 3.025 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001459635938 937495005 /nfs/dbraw/zinc/49/50/05/937495005.db2.gz SONFKSMNKLAPIS-DJIMGWMZSA-N 0 3 287.403 3.057 20 30 CGEDHN C=CCC[C@H](NC/C=C\C(=O)OCC)c1ccccc1 ZINC001459855386 937503244 /nfs/dbraw/zinc/50/32/44/937503244.db2.gz ZXUAOFCAVURBCE-OVHOFWQVSA-N 0 3 273.376 3.403 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)CCC(C)(C)C ZINC001460299284 937525503 /nfs/dbraw/zinc/52/55/03/937525503.db2.gz YPMMMZZEYCQVSU-UHFFFAOYSA-N 0 3 260.381 3.435 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ncccn2)CC1 ZINC001460804727 937546248 /nfs/dbraw/zinc/54/62/48/937546248.db2.gz KSBXYXMIGAKXDG-CQSZACIVSA-N 0 3 292.386 3.289 20 30 CGEDHN C#CCCCCCCN[C@@H](CO)c1cc(F)ccc1F ZINC001460944911 937555059 /nfs/dbraw/zinc/55/50/59/937555059.db2.gz DTPPTJJUGDWICR-INIZCTEOSA-N 0 3 281.346 3.172 20 30 CGEDHN C=C(CNCc1cc(C#N)ccc1N(C)C)c1ccccc1 ZINC001461154562 937566760 /nfs/dbraw/zinc/56/67/60/937566760.db2.gz NMMBBTJDOHYYOY-UHFFFAOYSA-N 0 3 291.398 3.427 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001230703748 932610830 /nfs/dbraw/zinc/61/08/30/932610830.db2.gz ZPWPAZPEWUKJSJ-HIFRSBDPSA-N 0 3 290.407 3.089 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001492080740 932805401 /nfs/dbraw/zinc/80/54/01/932805401.db2.gz AHZBVAOIKOKIQO-QWHCGFSZSA-N 0 3 286.847 3.050 20 30 CGEDHN C[C@]1(CNCC2(C#N)CCCCC2)CCCCO1 ZINC001462446733 937641783 /nfs/dbraw/zinc/64/17/83/937641783.db2.gz WZPFJZFXXZTPRB-CQSZACIVSA-N 0 3 250.386 3.009 20 30 CGEDHN C=C1CCN(Cc2ccc(C3(C(=O)OC)CC3)cc2)CC1 ZINC001307457681 932954449 /nfs/dbraw/zinc/95/44/49/932954449.db2.gz ZWMVTHMRRMQJNR-UHFFFAOYSA-N 0 3 285.387 3.043 20 30 CGEDHN Cc1ccc([C@H](C)CNCC2(C#N)CCOCC2)cc1 ZINC001462653259 937656774 /nfs/dbraw/zinc/65/67/74/937656774.db2.gz KFUVHQFINNNLJD-OAHLLOKOSA-N 0 3 272.392 3.009 20 30 CGEDHN C=CCC[C@H](NCc1cnn(CCOC)c1)c1ccccc1 ZINC001308340275 933097435 /nfs/dbraw/zinc/09/74/35/933097435.db2.gz VWEBZJMPACXYGZ-SFHVURJKSA-N 0 3 299.418 3.327 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1nn(C)cc1C ZINC001308434349 933110680 /nfs/dbraw/zinc/11/06/80/933110680.db2.gz KPMXRNRYBUMCOG-INIZCTEOSA-N 0 3 269.392 3.006 20 30 CGEDHN N#Cc1c(F)cccc1CNCCc1ccc(F)c(F)c1 ZINC001308694490 933159755 /nfs/dbraw/zinc/15/97/55/933159755.db2.gz WKHBHZMZMSALGP-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN C=CCCSCC[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001308855282 933190219 /nfs/dbraw/zinc/19/02/19/933190219.db2.gz OYVMVMXZMPFIDR-UHFFFAOYSA-N 0 3 281.421 3.108 20 30 CGEDHN CC#CCN(C)Cc1cccc(-c2ccccn2)c1 ZINC001308964740 933214879 /nfs/dbraw/zinc/21/48/79/933214879.db2.gz CMNXRMNYXQYANX-UHFFFAOYSA-N 0 3 250.345 3.204 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1OCC ZINC001339986367 933253584 /nfs/dbraw/zinc/25/35/84/933253584.db2.gz PWKQVPSRWSFERR-GFCCVEGCSA-N 0 3 296.798 3.361 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)C[C@H](C)CC(C)C)[C@H]1CC ZINC001316739259 933478497 /nfs/dbraw/zinc/47/84/97/933478497.db2.gz ORHRGMOQZHEGQL-IXDOHACOSA-N 0 3 292.467 3.051 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001317049322 933521190 /nfs/dbraw/zinc/52/11/90/933521190.db2.gz QNZZHPFELGPCEI-OAGGEKHMSA-N 0 3 292.467 3.453 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C[C@H](C)C1CC1)c1ccccc1 ZINC001317728035 933637630 /nfs/dbraw/zinc/63/76/30/933637630.db2.gz BAYDWBUOMVEVQM-YOEHRIQHSA-N 0 3 286.419 3.056 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CC[C@@H](C)F)C2)CCC1 ZINC001317981345 933671938 /nfs/dbraw/zinc/67/19/38/933671938.db2.gz IVHXTRKZLNQNJZ-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(CC)CCC ZINC001318220434 933696893 /nfs/dbraw/zinc/69/68/93/933696893.db2.gz WZKZQFKWMYMWJY-BQFCYCMXSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001318268553 933704157 /nfs/dbraw/zinc/70/41/57/933704157.db2.gz AJDFOTXQEWRRSF-DOTOQJQBSA-N 0 3 298.430 3.077 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCc1ccc(CNCC#CC)cc1 ZINC001318999765 933808909 /nfs/dbraw/zinc/80/89/09/933808909.db2.gz BAGRTIMPYWIXNQ-IBGZPJMESA-N 0 3 298.430 3.018 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(Cl)c1F ZINC001467727597 937721397 /nfs/dbraw/zinc/72/13/97/937721397.db2.gz MMYSRWCYFQXYKS-UHFFFAOYSA-N 0 3 298.789 3.059 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1=CCC(C)(C)CC1 ZINC001467728238 937721487 /nfs/dbraw/zinc/72/14/87/937721487.db2.gz AWURRVRABUZQNO-UHFFFAOYSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C=C1CCC(C)CC1 ZINC001467727586 937721513 /nfs/dbraw/zinc/72/15/13/937721513.db2.gz LXPHFFGJAMBMHK-UHFFFAOYSA-N 0 3 278.440 3.089 20 30 CGEDHN COCC#CCN1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001319582459 933894963 /nfs/dbraw/zinc/89/49/63/933894963.db2.gz GTLLSARCFQEAOE-ZWKOTPCHSA-N 0 3 269.388 3.038 20 30 CGEDHN C#CCOCCN(C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001319655071 933909219 /nfs/dbraw/zinc/90/92/19/933909219.db2.gz BWSJIENOLSGJPR-NSHDSACASA-N 0 3 269.747 3.122 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1cc(C)c(Cl)cc1C ZINC001320035099 933983588 /nfs/dbraw/zinc/98/35/88/933983588.db2.gz ZRABPXRKVOIQCM-UHFFFAOYSA-N 0 3 294.826 3.147 20 30 CGEDHN C=C[C@H](COC)NCc1cc(Cl)cc2cccnc21 ZINC001320427891 934047517 /nfs/dbraw/zinc/04/75/17/934047517.db2.gz MZVJFHMMRPVCSV-CQSZACIVSA-N 0 3 276.767 3.179 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(CC)cc1 ZINC001320628402 934077158 /nfs/dbraw/zinc/07/71/58/934077158.db2.gz WCQMHYKRDKXFIW-CYBMUJFWSA-N 0 3 294.826 3.100 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CCc2ccc(Br)cc21 ZINC001321225744 934164966 /nfs/dbraw/zinc/16/49/66/934164966.db2.gz PXXXYZJLIXWKMT-GXTWGEPZSA-N 0 3 296.208 3.227 20 30 CGEDHN C=C[C@H](COC)N[C@H](CCC)c1ccc(OC)cc1 ZINC001321242368 934168202 /nfs/dbraw/zinc/16/82/02/934168202.db2.gz WJQCNNHVNRMOKX-GDBMZVCRSA-N 0 3 263.381 3.327 20 30 CGEDHN C=CCCCCCCCCNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001470384016 937752155 /nfs/dbraw/zinc/75/21/55/937752155.db2.gz DIINUKCQGVBXBD-JKSUJKDBSA-N 0 3 295.471 3.295 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001323199233 934374001 /nfs/dbraw/zinc/37/40/01/934374001.db2.gz ORYBNKLOKKKALD-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@H](C)CC)c1ccccc1CC ZINC001325362736 934907835 /nfs/dbraw/zinc/90/78/35/934907835.db2.gz PMKSYQUDDYWMJP-PBHICJAKSA-N 0 3 288.435 3.228 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C[C@@H](F)CC ZINC001325895186 934938243 /nfs/dbraw/zinc/93/82/43/934938243.db2.gz DHAMHKULPPOMBQ-ARFHVFGLSA-N 0 3 296.430 3.156 20 30 CGEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc[nH]1 ZINC001326030662 934944608 /nfs/dbraw/zinc/94/46/08/934944608.db2.gz JXBYAOJOUSZBPY-KTAKPFMOSA-N 0 3 265.360 3.289 20 30 CGEDHN C=C(C)[C@H](CO)N1CCc2ccc(C(C)C)cc2C1 ZINC001473624446 937814067 /nfs/dbraw/zinc/81/40/67/937814067.db2.gz ZHOMIFBBKPSAGC-KRWDZBQOSA-N 0 3 259.393 3.105 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001473628072 937815008 /nfs/dbraw/zinc/81/50/08/937815008.db2.gz ZOOQEGVMHPXPKF-DOTOQJQBSA-N 0 3 284.403 3.080 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCC=CCCC1 ZINC001328362434 935132458 /nfs/dbraw/zinc/13/24/58/935132458.db2.gz FTYDEGNCMSUCKV-LSDHHAIUSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C=C)cc1 ZINC001328766455 935167837 /nfs/dbraw/zinc/16/78/37/935167837.db2.gz SBDDFSPOIGRIGN-QGZVFWFLSA-N 0 3 284.403 3.052 20 30 CGEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001328998364 935178247 /nfs/dbraw/zinc/17/82/47/935178247.db2.gz SXTUBXSGWFXGCS-UONOGXRCSA-N 0 3 292.398 3.083 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC001329468051 935218123 /nfs/dbraw/zinc/21/81/23/935218123.db2.gz BGKXDTQZLOSZNL-CQSZACIVSA-N 0 3 288.435 3.220 20 30 CGEDHN C=CCC1(O)CCN([C@H]2CCc3c2cccc3F)CC1 ZINC001331707400 935404702 /nfs/dbraw/zinc/40/47/02/935404702.db2.gz SCTIGKKVQWTTLL-INIZCTEOSA-N 0 3 275.367 3.216 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCC1(C)C)C(C)C ZINC001332722112 935484314 /nfs/dbraw/zinc/48/43/14/935484314.db2.gz FQYFQQPBKVWEBQ-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN N#CC1(c2ccccc2)CC(NC2([C@@H]3CCCCO3)CC2)C1 ZINC001332912172 935497033 /nfs/dbraw/zinc/49/70/33/935497033.db2.gz CEYSLBAQMNGLOW-ADKAHSJRSA-N 0 3 296.414 3.302 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC001337648414 936276909 /nfs/dbraw/zinc/27/69/09/936276909.db2.gz DKFPCRCKNRLINS-AWEZNQCLSA-N 0 3 257.333 3.210 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccn(CC)n1 ZINC001474178090 937842959 /nfs/dbraw/zinc/84/29/59/937842959.db2.gz MOHXIRSCHIMEEF-INIZCTEOSA-N 0 3 269.392 3.180 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(F)CCCCC1 ZINC001479253850 937918495 /nfs/dbraw/zinc/91/84/95/937918495.db2.gz DFDUGBKNJWALMC-HNNXBMFYSA-N 0 3 296.430 3.158 20 30 CGEDHN CC#CCN(C)CCCNC(=O)c1ccccc1C1CCC1 ZINC001479811030 937926452 /nfs/dbraw/zinc/92/64/52/937926452.db2.gz YWHXIUKYKDJQNR-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN CCCCCCCN1CCC[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001479909372 937928736 /nfs/dbraw/zinc/92/87/36/937928736.db2.gz VQVQLYWJIMMSEN-GJZGRUSLSA-N 0 3 286.435 3.286 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001479914960 937929188 /nfs/dbraw/zinc/92/91/88/937929188.db2.gz BJGPFTBBRDNUKN-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001479984532 937930771 /nfs/dbraw/zinc/93/07/71/937930771.db2.gz DMIXOQBIKFRLSZ-VZUFXWRPSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNC[C@@H](F)CC ZINC001480356250 937937315 /nfs/dbraw/zinc/93/73/15/937937315.db2.gz CFLRNQOJZBNTDM-GJZGRUSLSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCN[C@@H](CNC(=O)CCC1CCC1)c1ccccc1 ZINC001493886838 937951887 /nfs/dbraw/zinc/95/18/87/937951887.db2.gz NNTUHQAZXFHPTA-KRWDZBQOSA-N 0 3 286.419 3.200 20 30 CGEDHN C=CCN[C@H](CNC(=O)CCC1CCC1)c1ccccc1 ZINC001493886839 937951988 /nfs/dbraw/zinc/95/19/88/937951988.db2.gz NNTUHQAZXFHPTA-QGZVFWFLSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](CC)CCCC)C1 ZINC001494800210 937956363 /nfs/dbraw/zinc/95/63/63/937956363.db2.gz BROXEFIVVSPSDA-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)C(CC)CC ZINC001496733617 937964013 /nfs/dbraw/zinc/96/40/13/937964013.db2.gz LVUIGBHZNAIVCG-CQSZACIVSA-N 0 3 268.445 3.025 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001496819077 937964299 /nfs/dbraw/zinc/96/42/99/937964299.db2.gz PXBUYOJIZCKREZ-HNNXBMFYSA-N 0 3 282.472 3.415 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001499554875 937973645 /nfs/dbraw/zinc/97/36/45/937973645.db2.gz JRDOOICTHPXLFV-ZACQAIPSSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)CC ZINC001499511937 937973805 /nfs/dbraw/zinc/97/38/05/937973805.db2.gz MYLJMCBIDCLZIO-ZACQAIPSSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001502135018 937981237 /nfs/dbraw/zinc/98/12/37/937981237.db2.gz FPBXCWPXODXNFM-LSDHHAIUSA-N 0 3 284.419 3.062 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@@H](C)C1 ZINC001502907368 937983637 /nfs/dbraw/zinc/98/36/37/937983637.db2.gz VWOFMNUNRCCGLS-ZFWWWQNUSA-N 0 3 292.448 3.183 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)C(C)C)C(C)C ZINC001507841691 937997213 /nfs/dbraw/zinc/99/72/13/937997213.db2.gz OREFXDKJDMGPJV-OAHLLOKOSA-N 0 3 268.445 3.023 20 30 CGEDHN N#CC(C(=O)c1ccoc1C1CC1)c1cccc(F)n1 ZINC001516804782 938009722 /nfs/dbraw/zinc/00/97/22/938009722.db2.gz XOWGKKDAQBPJCP-NSHDSACASA-N 0 3 270.263 3.181 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001517065059 938010943 /nfs/dbraw/zinc/01/09/43/938010943.db2.gz SBWOEEYLPHPTQK-DOMZBBRYSA-N 0 3 299.349 3.412 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001517065062 938010987 /nfs/dbraw/zinc/01/09/87/938010987.db2.gz SBWOEEYLPHPTQK-SWLSCSKDSA-N 0 3 299.349 3.412 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC001520028485 938022616 /nfs/dbraw/zinc/02/26/16/938022616.db2.gz FOAVSCKOWNFZPE-VHSXEESVSA-N 0 3 279.771 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001520036136 938022642 /nfs/dbraw/zinc/02/26/42/938022642.db2.gz KICUBDHFDJCAEW-ARFHVFGLSA-N 0 3 293.370 3.191 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1ccsc1C(F)F ZINC001526588042 938056386 /nfs/dbraw/zinc/05/63/86/938056386.db2.gz VTLKKEOELVDJID-SECBINFHSA-N 0 3 295.314 3.392 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccsc1 ZINC001526594908 938056579 /nfs/dbraw/zinc/05/65/79/938056579.db2.gz RVNJLWFOFYEALI-CYBMUJFWSA-N 0 3 287.388 3.164 20 30 CGEDHN C=CC[C@@H](C)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001559538159 938228896 /nfs/dbraw/zinc/22/88/96/938228896.db2.gz QNYGVCDFONKDCA-GDBMZVCRSA-N 0 3 272.392 3.078 20 30 CGEDHN CCc1ccc([C@@H]2CCCN(CC#CCOC)C2)cc1 ZINC001559814395 938236481 /nfs/dbraw/zinc/23/64/81/938236481.db2.gz IOVMLYIITTXUJO-GOSISDBHSA-N 0 3 271.404 3.078 20 30 CGEDHN CC#CCN([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC001560045879 938242387 /nfs/dbraw/zinc/24/23/87/938242387.db2.gz VGCJUFAOMDDLLV-RHSMWYFYSA-N 0 3 257.377 3.034 20 30 CGEDHN C#CCN(CCOc1ccccc1Br)C(C)C ZINC001560164543 938245846 /nfs/dbraw/zinc/24/58/46/938245846.db2.gz ATUFBYJAGRORRT-UHFFFAOYSA-N 0 3 296.208 3.172 20 30 CGEDHN C=CCC[C@H]1CCCN1[C@@H](C)C(=O)OCCCC ZINC001560199693 938246794 /nfs/dbraw/zinc/24/67/94/938246794.db2.gz BAYNNCGFXFIHLH-KBPBESRZSA-N 0 3 253.386 3.149 20 30 CGEDHN C=CCNCc1cnc(-c2c(F)cccc2F)s1 ZINC001560253699 938249510 /nfs/dbraw/zinc/24/95/10/938249510.db2.gz AGXVIWYOBIHNFD-UHFFFAOYSA-N 0 3 266.316 3.364 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CC1(C)C ZINC001560327875 938253137 /nfs/dbraw/zinc/25/31/37/938253137.db2.gz YUXUPNXQEWOEME-GFCCVEGCSA-N 0 3 277.795 3.488 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CC1(C)C ZINC001560327876 938253246 /nfs/dbraw/zinc/25/32/46/938253246.db2.gz YUXUPNXQEWOEME-LBPRGKRZSA-N 0 3 277.795 3.488 20 30 CGEDHN C#CCCCCCCNCc1c(OC)cccc1OC ZINC001560923884 938284287 /nfs/dbraw/zinc/28/42/87/938284287.db2.gz QKHMTMCUXXRWNU-UHFFFAOYSA-N 0 3 275.392 3.377 20 30 CGEDHN CN(C)Cc1ccnc(NC23CCC(C#N)(CC2)CC3)c1 ZINC001158788321 958832163 /nfs/dbraw/zinc/83/21/63/958832163.db2.gz DIZKOKMAJPSKLX-UHFFFAOYSA-N 0 3 284.407 3.172 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001570753655 960460750 /nfs/dbraw/zinc/46/07/50/960460750.db2.gz NJADVKJKPKDUBA-RDJZCZTQSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC(C)(C)CCC1(C)C ZINC001574901479 960466241 /nfs/dbraw/zinc/46/62/41/960466241.db2.gz JQMIKYQZHJZMOI-ZDUSSCGKSA-N 0 3 266.429 3.097 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H](CC)C(C)C)C1 ZINC001567925850 960602815 /nfs/dbraw/zinc/60/28/15/960602815.db2.gz UXVRDANYCHOWCS-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001565827163 960831063 /nfs/dbraw/zinc/83/10/63/960831063.db2.gz ZYFPKEOUVDNDEC-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN(CCNC(=O)C1CCC2(CC2)CC1)C1CC1 ZINC001567444720 961357465 /nfs/dbraw/zinc/35/74/65/961357465.db2.gz SRWWFBFOFSNTTR-UHFFFAOYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001568248760 961529830 /nfs/dbraw/zinc/52/98/30/961529830.db2.gz ZUWMRNLPYICAEK-UHFFFAOYSA-N 0 3 298.430 3.077 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001568381182 961570835 /nfs/dbraw/zinc/57/08/35/961570835.db2.gz YGVIGNHSGFLKSU-OAHLLOKOSA-N 0 3 296.842 3.210 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(CC)CCNCc1ccsc1 ZINC001568765136 961636731 /nfs/dbraw/zinc/63/67/31/961636731.db2.gz HMSWNNPITRFRMB-UHFFFAOYSA-N 0 3 294.464 3.289 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1csc2ccccc21 ZINC001569131102 961702077 /nfs/dbraw/zinc/70/20/77/961702077.db2.gz JHJMVWLQUWWAGI-GFCCVEGCSA-N 0 3 288.416 3.137 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001569351260 961742725 /nfs/dbraw/zinc/74/27/25/961742725.db2.gz ZVXYTBQGVLKKQN-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001569448750 961766312 /nfs/dbraw/zinc/76/63/12/961766312.db2.gz GRPQNWAHFPNPAA-CVEARBPZSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(CC=C)CCCC1 ZINC001570549461 961995706 /nfs/dbraw/zinc/99/57/06/961995706.db2.gz YFDIBVQKMBPYIJ-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC001570547123 961995817 /nfs/dbraw/zinc/99/58/17/961995817.db2.gz AQGTWBPNBMUAAY-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](CC)CCC ZINC001570827311 962091610 /nfs/dbraw/zinc/09/16/10/962091610.db2.gz OJSZUERMHLARQJ-JKSUJKDBSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CCC1(C)C ZINC001571297134 962122756 /nfs/dbraw/zinc/12/27/56/962122756.db2.gz NSYVXSHXQOYIRE-STQMWFEESA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCCCc2sccc21 ZINC001574903456 962329162 /nfs/dbraw/zinc/32/91/62/962329162.db2.gz RDCGZPMITMCDFE-LBPRGKRZSA-N 0 3 278.421 3.101 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001574903704 962331811 /nfs/dbraw/zinc/33/18/11/962331811.db2.gz VAOUNNXMJZVASY-OAGGEKHMSA-N 0 3 292.467 3.345 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC(C)(C)Cc1ccccc1C ZINC001574903270 962337017 /nfs/dbraw/zinc/33/70/17/962337017.db2.gz NPWIEJHFTZUCAZ-MRXNPFEDSA-N 0 3 288.435 3.116 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc(C)cc(=O)[nH]1 ZINC001577430028 962549774 /nfs/dbraw/zinc/54/97/74/962549774.db2.gz JNQPAARWQZNJIV-CYBMUJFWSA-N 0 3 293.411 3.112 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC001586583465 963118408 /nfs/dbraw/zinc/11/84/08/963118408.db2.gz MKYKXYDBRWXTGO-INIZCTEOSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CC[N@H+](CCC1CCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632029 963293655 /nfs/dbraw/zinc/29/36/55/963293655.db2.gz HVSXXMDFTACFLH-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN C=CC[N@@H+](CCC1CCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632029 963293668 /nfs/dbraw/zinc/29/36/68/963293668.db2.gz HVSXXMDFTACFLH-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN C=CC[N@H+](CCC1CCC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632029 963293682 /nfs/dbraw/zinc/29/36/82/963293682.db2.gz HVSXXMDFTACFLH-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN C=CC[N@@H+](CCC1CCC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632029 963293693 /nfs/dbraw/zinc/29/36/93/963293693.db2.gz HVSXXMDFTACFLH-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000589747770 346810482 /nfs/dbraw/zinc/81/04/82/346810482.db2.gz GZJKIWAJOAOZHJ-QGZVFWFLSA-N 0 3 294.402 3.131 20 30 CGEDHN C[C@H](c1ccncc1)N(C)CCOc1ccc(C#N)cc1 ZINC000127634410 187322003 /nfs/dbraw/zinc/32/20/03/187322003.db2.gz KIDCLIAUDQRWGT-CQSZACIVSA-N 0 3 281.359 3.025 20 30 CGEDHN C=CCCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000589880342 346816744 /nfs/dbraw/zinc/81/67/44/346816744.db2.gz ONKRHFUYTRDFJF-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1cccc(C#N)c1 ZINC000337550369 214152701 /nfs/dbraw/zinc/15/27/01/214152701.db2.gz NXYXNWTWZILONC-ZLKJLUDKSA-N 0 3 280.318 3.369 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nccn2C(F)F)C1 ZINC000651689921 398269579 /nfs/dbraw/zinc/26/95/79/398269579.db2.gz JEDKONBRYREUQZ-GHMZBOCLSA-N 0 3 255.312 3.113 20 30 CGEDHN C=C(CC)CN[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621763153 349581894 /nfs/dbraw/zinc/58/18/94/349581894.db2.gz RVAXVDCEKBKANZ-HNNXBMFYSA-N 0 3 258.365 3.040 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nccn2CC(F)(F)F)C1 ZINC000651699525 398270760 /nfs/dbraw/zinc/27/07/60/398270760.db2.gz YDEWULSXJMDYBF-VXGBXAGGSA-N 0 3 287.329 3.280 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](CO)c2ccccc2OC)C1 ZINC000651713713 398273775 /nfs/dbraw/zinc/27/37/75/398273775.db2.gz APZHKDLASDBAID-FMKPAKJESA-N 0 3 275.392 3.063 20 30 CGEDHN Cc1nc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)c(C)s1 ZINC000590656417 346860094 /nfs/dbraw/zinc/86/00/94/346860094.db2.gz BOOBTXBYNCSNNM-ICCXJUOJSA-N 0 3 263.410 3.493 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nccn2CC(C)C)C1 ZINC000651751718 398282644 /nfs/dbraw/zinc/28/26/44/398282644.db2.gz FJKODPNKBNKCEU-HUUCEWRRSA-N 0 3 261.413 3.374 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000652191025 398326822 /nfs/dbraw/zinc/32/68/22/398326822.db2.gz HFQRFWKHELUYKB-ZBFHGGJFSA-N 0 3 284.403 3.492 20 30 CGEDHN CCOc1ccc(C[C@@H](C)CNC[C@@H](C#N)CCC#N)cc1 ZINC000591376430 346918355 /nfs/dbraw/zinc/91/83/55/346918355.db2.gz BWLSCZPTIVJFCJ-NVXWUHKLSA-N 0 3 299.418 3.297 20 30 CGEDHN C=CCC[C@@H](CCC)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623233139 349769185 /nfs/dbraw/zinc/76/91/85/349769185.db2.gz OFXJSIIHUOEKPH-WBVHZDCISA-N 0 3 286.419 3.424 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN([C@@H](C)[C@H](C)CC)C1CC1 ZINC000591474402 346926049 /nfs/dbraw/zinc/92/60/49/346926049.db2.gz CEZZVAZSUOTIGK-CABCVRRESA-N 0 3 280.456 3.310 20 30 CGEDHN N#CCC1(CNC[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000591764398 346935118 /nfs/dbraw/zinc/93/51/18/346935118.db2.gz JPQOWUWAFHMVET-SFHVURJKSA-N 0 3 294.398 3.027 20 30 CGEDHN C=CCCNCc1cccc(F)c1OCC(F)(F)F ZINC000623564243 349835865 /nfs/dbraw/zinc/83/58/65/349835865.db2.gz XBBYWGCDLJJPGA-UHFFFAOYSA-N 0 3 277.261 3.433 20 30 CGEDHN Cc1ccccc1C[C@@H]1CCCN1Cc1ccncc1C#N ZINC000592070001 346959335 /nfs/dbraw/zinc/95/93/35/346959335.db2.gz DUUDBLSNCRCCCM-IBGZPJMESA-N 0 3 291.398 3.469 20 30 CGEDHN CC[C@@H](COCC(F)(F)F)NCc1ccc(C#N)s1 ZINC000295089544 199339887 /nfs/dbraw/zinc/33/98/87/199339887.db2.gz JDCQLBUZRXHNCT-VIFPVBQESA-N 0 3 292.326 3.067 20 30 CGEDHN CCCN(CC(=O)N(CCC#N)c1ccccc1)CC1CC1 ZINC000052890720 345109519 /nfs/dbraw/zinc/10/95/19/345109519.db2.gz KUJOKQWAQWCCDG-UHFFFAOYSA-N 0 3 299.418 3.055 20 30 CGEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)C(C)C ZINC000065299607 345271424 /nfs/dbraw/zinc/27/14/24/345271424.db2.gz JCMGHYDPASLPSH-OAHLLOKOSA-N 0 3 293.455 3.038 20 30 CGEDHN C=CCN(CCC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000065607630 345275560 /nfs/dbraw/zinc/27/55/60/345275560.db2.gz QGUFZRJMUDSPJS-UHFFFAOYSA-N 0 3 275.392 3.406 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(c2ccc(F)cc2)CC1 ZINC000158447916 534996400 /nfs/dbraw/zinc/99/64/00/534996400.db2.gz RCHZJBUXEYOGCK-UHFFFAOYSA-N 0 3 289.398 3.278 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccnc3ccncc32)CC1 ZINC000085684675 345747538 /nfs/dbraw/zinc/74/75/38/345747538.db2.gz ANXQGMUOZGEDDR-UHFFFAOYSA-N 0 3 282.391 3.082 20 30 CGEDHN C#CCCN1CCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000091480326 345816626 /nfs/dbraw/zinc/81/66/26/345816626.db2.gz HSAQIGWYPJZRKY-UHFFFAOYSA-N 0 3 299.805 3.034 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623990405 349938402 /nfs/dbraw/zinc/93/84/02/349938402.db2.gz BRDIOSCJRWNTRF-ZBFHGGJFSA-N 0 3 293.455 3.047 20 30 CGEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)cs1 ZINC000092063914 345829042 /nfs/dbraw/zinc/82/90/42/345829042.db2.gz BCOFGQFGZKVYHJ-PXAZEXFGSA-N 0 3 298.411 3.444 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@](C)(O)[C@@H](C)CC ZINC000112379973 345954757 /nfs/dbraw/zinc/95/47/57/345954757.db2.gz SMYNAQZHGUMQRJ-WMLDXEAASA-N 0 3 277.408 3.138 20 30 CGEDHN C=CCCCNCc1cc(Br)cc2c1OCC2 ZINC000129170745 346047507 /nfs/dbraw/zinc/04/75/07/346047507.db2.gz RZSWBDXQWFHCEU-UHFFFAOYSA-N 0 3 296.208 3.440 20 30 CGEDHN COC(=O)[C@@H](C)[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000131922297 346068380 /nfs/dbraw/zinc/06/83/80/346068380.db2.gz SHCBYBPESONFAF-ZFWWWQNUSA-N 0 3 288.391 3.066 20 30 CGEDHN C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000155423404 346153257 /nfs/dbraw/zinc/15/32/57/346153257.db2.gz MKJMFNKAWRLCQY-YEJXKQKISA-N 0 3 298.411 3.146 20 30 CGEDHN CCOC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000172396760 346221083 /nfs/dbraw/zinc/22/10/83/346221083.db2.gz HMKKRYULEJLGTH-ZDUSSCGKSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@@H]1CN(CCCSCC#N)[C@@H]1c1ccccc1 ZINC000177830583 346251519 /nfs/dbraw/zinc/25/15/19/346251519.db2.gz WRANDOFDFYNNKI-HIFRSBDPSA-N 0 3 260.406 3.326 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](C)[C@@H](OC)C2)c1 ZINC000188303597 346262088 /nfs/dbraw/zinc/26/20/88/346262088.db2.gz WSTDKMSAXFVFSM-YOEHRIQHSA-N 0 3 275.392 3.108 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2ccc(C(=O)OCC)o2)C1 ZINC000593627256 347096744 /nfs/dbraw/zinc/09/67/44/347096744.db2.gz BKNJXRAMKAILHN-QWHCGFSZSA-N 0 3 277.364 3.291 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337488785 346499286 /nfs/dbraw/zinc/49/92/86/346499286.db2.gz BWJKJLPJGCPBJJ-HIFRSBDPSA-N 0 3 290.407 3.225 20 30 CGEDHN COC[C@H](CC(C)(C)C)NCC1(C#N)CCCC1 ZINC000593653704 347100038 /nfs/dbraw/zinc/10/00/38/347100038.db2.gz IBEXWAPSFXDRMX-ZDUSSCGKSA-N 0 3 252.402 3.111 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000449446614 346619046 /nfs/dbraw/zinc/61/90/46/346619046.db2.gz SCCXQUDKDMQJOZ-GJZGRUSLSA-N 0 3 280.375 3.044 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCC1(C2CC2)CCC1 ZINC000549807112 346654836 /nfs/dbraw/zinc/65/48/36/346654836.db2.gz LNNVHYIBYRWYRJ-INIZCTEOSA-N 0 3 296.414 3.455 20 30 CGEDHN CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(C)C#N ZINC000463050236 346626011 /nfs/dbraw/zinc/62/60/11/346626011.db2.gz WPBXUJWOOPBNLL-XPKDYRNWSA-N 0 3 270.376 3.222 20 30 CGEDHN COC[C@H](C)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000525874641 346641675 /nfs/dbraw/zinc/64/16/75/346641675.db2.gz OKWNBIRNKLPXDJ-OIISXLGYSA-N 0 3 272.392 3.041 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2C[C@H]2OCC)cc1Cl ZINC000582101382 346677510 /nfs/dbraw/zinc/67/75/10/346677510.db2.gz NPJGVVLGEHMLDZ-DZGCQCFKSA-N 0 3 281.783 3.172 20 30 CGEDHN C=C(CNCc1ccccc1-n1cncn1)c1ccccc1 ZINC000588689358 346766345 /nfs/dbraw/zinc/76/63/45/346766345.db2.gz OPCVIOJTPKJTGK-UHFFFAOYSA-N 0 3 290.370 3.070 20 30 CGEDHN CC[C@@H](CC#N)NCCCc1c(F)cccc1F ZINC000594007910 347135719 /nfs/dbraw/zinc/13/57/19/347135719.db2.gz FBETUOCJRJKVCV-NSHDSACASA-N 0 3 252.308 3.179 20 30 CGEDHN CCC(C)(C)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000594021543 347138288 /nfs/dbraw/zinc/13/82/88/347138288.db2.gz UWJZXBBQULEAOZ-HNNXBMFYSA-N 0 3 285.435 3.425 20 30 CGEDHN CCCCOCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594031884 347140126 /nfs/dbraw/zinc/14/01/26/347140126.db2.gz MZOTWZOZRIZUFX-UHFFFAOYSA-N 0 3 272.392 3.344 20 30 CGEDHN Cc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594034988 347140954 /nfs/dbraw/zinc/14/09/54/347140954.db2.gz HWUAQHVCMWIMPU-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN Cc1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594427870 347173765 /nfs/dbraw/zinc/17/37/65/347173765.db2.gz LMPJTXSZVLRNNK-DLBZAZTESA-N 0 3 299.418 3.070 20 30 CGEDHN Cc1cccc(C(C)C)c1NC(=O)[C@@H](N)CCCCC#N ZINC000594428006 347173905 /nfs/dbraw/zinc/17/39/05/347173905.db2.gz YWNWXXDVVHNEDX-HNNXBMFYSA-N 0 3 287.407 3.468 20 30 CGEDHN CCCN(CC1CCCCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594430875 347173989 /nfs/dbraw/zinc/17/39/89/347173989.db2.gz CLQOWVZTXGIUAX-INIZCTEOSA-N 0 3 293.455 3.217 20 30 CGEDHN CC(C)CC[C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000594442940 347174747 /nfs/dbraw/zinc/17/47/47/347174747.db2.gz DFZBLHNPZWMBGU-GJZGRUSLSA-N 0 3 295.471 3.365 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000594463651 347176825 /nfs/dbraw/zinc/17/68/25/347176825.db2.gz JHSFIEBHRZFPKL-GFCCVEGCSA-N 0 3 299.296 3.055 20 30 CGEDHN COc1c(C)cccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000594512547 347184218 /nfs/dbraw/zinc/18/42/18/347184218.db2.gz VNKGRJJPKGPYFC-ZFWWWQNUSA-N 0 3 258.365 3.176 20 30 CGEDHN N#Cc1csc(CN[C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594512926 347184251 /nfs/dbraw/zinc/18/42/51/347184251.db2.gz YLPZWEHXEUXFCX-LSDHHAIUSA-N 0 3 276.405 3.057 20 30 CGEDHN CCC[C@H](CNCc1ccc(C(C)(C)C#N)cc1)OC ZINC000594516897 347186531 /nfs/dbraw/zinc/18/65/31/347186531.db2.gz HKWPPNWNYXPJKP-MRXNPFEDSA-N 0 3 274.408 3.392 20 30 CGEDHN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1cccc(C#N)c1 ZINC000594723457 347213787 /nfs/dbraw/zinc/21/37/87/347213787.db2.gz BINIVKCBZVTFFS-WWGRRREGSA-N 0 3 258.365 3.166 20 30 CGEDHN C[C@H](NC[C@]1(C)CC1(F)F)c1cccc(C#N)c1 ZINC000594732666 347214103 /nfs/dbraw/zinc/21/41/03/347214103.db2.gz WIRCANYHMUZONO-GWCFXTLKSA-N 0 3 250.292 3.254 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)c(C)c1)C1CCCC1 ZINC000594995552 347252356 /nfs/dbraw/zinc/25/23/56/347252356.db2.gz RYVLAAGYJRRZTR-QGZVFWFLSA-N 0 3 272.392 3.162 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cncc(F)c1 ZINC000594959717 347240552 /nfs/dbraw/zinc/24/05/52/347240552.db2.gz AQSIMRVTZRGKGG-NSHDSACASA-N 0 3 254.374 3.181 20 30 CGEDHN Cc1cnccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594966878 347244872 /nfs/dbraw/zinc/24/48/72/347244872.db2.gz CDMXTQOASYIQNO-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN CC[C@](C)(NCCc1ccc(C#N)cc1)c1nccs1 ZINC000595376519 347296793 /nfs/dbraw/zinc/29/67/93/347296793.db2.gz JWNAVSORDNJFLR-INIZCTEOSA-N 0 3 285.416 3.472 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCSCC2)c(F)c1 ZINC000595013815 347257582 /nfs/dbraw/zinc/25/75/82/347257582.db2.gz SVPHQVZFXPKESG-CYBMUJFWSA-N 0 3 264.369 3.073 20 30 CGEDHN CC1(C)C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000595047008 347268827 /nfs/dbraw/zinc/26/88/27/347268827.db2.gz PXQXTBAUZKLSFM-OAHLLOKOSA-N 0 3 270.376 3.095 20 30 CGEDHN C[C@@H](NC[C@H]1CCN1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054470 347270790 /nfs/dbraw/zinc/27/07/90/347270790.db2.gz PTASMNPNVRJEOA-IUODEOHRSA-N 0 3 289.398 3.221 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)C1CCC1 ZINC000595413999 347300365 /nfs/dbraw/zinc/30/03/65/347300365.db2.gz ZIJUGKZQTAYALF-MLGOLLRUSA-N 0 3 258.365 3.024 20 30 CGEDHN CC[C@H](COCC1CC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000595056944 347272654 /nfs/dbraw/zinc/27/26/54/347272654.db2.gz UCTOSWGFYJKEPJ-SUMWQHHRSA-N 0 3 272.392 3.414 20 30 CGEDHN C[C@@H]1CCC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)O1 ZINC000595076142 347278073 /nfs/dbraw/zinc/27/80/73/347278073.db2.gz FMOAZXXROHTGHY-PVUWLOKVSA-N 0 3 270.376 3.093 20 30 CGEDHN COC1(C[C@H](C)NCC2(C#N)CCCCC2)CCC1 ZINC000595092111 347281200 /nfs/dbraw/zinc/28/12/00/347281200.db2.gz XDEQHCSWEHOUTO-AWEZNQCLSA-N 0 3 264.413 3.398 20 30 CGEDHN CC(C)[C@H](O)[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000595097133 347283076 /nfs/dbraw/zinc/28/30/76/347283076.db2.gz PUVCSVMFCZVUCJ-OWLYRPNTSA-N 0 3 286.419 3.417 20 30 CGEDHN N#CC[C@@H]1CCCN(CC2CCC(F)(F)CC2)C1 ZINC000595623276 347329180 /nfs/dbraw/zinc/32/91/80/347329180.db2.gz LOZQTRNKXJXZFU-LBPRGKRZSA-N 0 3 256.340 3.438 20 30 CGEDHN CC(C)(C#N)CCCCN1CCO[C@@](C)(C2CC2)C1 ZINC000595625759 347330508 /nfs/dbraw/zinc/33/05/08/347330508.db2.gz NOIXMMVCDMVCKT-MRXNPFEDSA-N 0 3 264.413 3.207 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595786818 347356075 /nfs/dbraw/zinc/35/60/75/347356075.db2.gz HSVPTKWJGRPUGI-QZTJIDSGSA-N 0 3 284.403 3.339 20 30 CGEDHN N#CCc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000595831429 347362537 /nfs/dbraw/zinc/36/25/37/347362537.db2.gz NOKPGYJQKBQPIF-LJQANCHMSA-N 0 3 292.382 3.406 20 30 CGEDHN CC1(C)C[C@]1(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000596061652 347378869 /nfs/dbraw/zinc/37/88/69/347378869.db2.gz HQBOUWZUWCIJTJ-KRWDZBQOSA-N 0 3 297.427 3.472 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3cc(N)ccc31)CC2 ZINC000596653867 347498686 /nfs/dbraw/zinc/49/86/86/347498686.db2.gz XHQXQWXBKUWAFX-RBUKOAKNSA-N 0 3 289.382 3.405 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000597175107 347544316 /nfs/dbraw/zinc/54/43/16/347544316.db2.gz WQLXCAWCIIZVFZ-ZDUSSCGKSA-N 0 3 253.349 3.294 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597136407 347538828 /nfs/dbraw/zinc/53/88/28/347538828.db2.gz WDMKSBRWVXLZKB-SFHVURJKSA-N 0 3 298.430 3.489 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CO[C@@H](C2CC2)C1 ZINC000597156401 347541501 /nfs/dbraw/zinc/54/15/01/347541501.db2.gz ZNSARDIAYCFNPO-BPQIPLTHSA-N 0 3 282.387 3.093 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000597827955 347594679 /nfs/dbraw/zinc/59/46/79/347594679.db2.gz FGMFYVIMVRXFKD-IKGGRYGDSA-N 0 3 282.387 3.160 20 30 CGEDHN COc1nc(C)cc(C)c1CN(C)CC(C)(C)CCC#N ZINC000598678204 347678145 /nfs/dbraw/zinc/67/81/45/347678145.db2.gz OLLMIIRTIASITQ-UHFFFAOYSA-N 0 3 289.423 3.469 20 30 CGEDHN C=CCSCCNCc1cc(OCC)c(OC)cc1F ZINC000598963253 347701756 /nfs/dbraw/zinc/70/17/56/347701756.db2.gz MKDJPJKVUWVBOI-UHFFFAOYSA-N 0 3 299.411 3.242 20 30 CGEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)[C@H]1CCCCO1 ZINC000599055912 347711513 /nfs/dbraw/zinc/71/15/13/347711513.db2.gz UJDUZADRDQVIBA-RHSMWYFYSA-N 0 3 284.403 3.485 20 30 CGEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598586090 347666704 /nfs/dbraw/zinc/66/67/04/347666704.db2.gz COLUIYMSCXYOJI-AAEUAGOBSA-N 0 3 296.361 3.258 20 30 CGEDHN C[C@@H]1CCN(C[C@H](O)CC(C)(C)C#N)[C@H](c2ccco2)C1 ZINC000598594309 347668227 /nfs/dbraw/zinc/66/82/27/347668227.db2.gz FROQVICJEVQFIS-KFWWJZLASA-N 0 3 290.407 3.353 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCCCC[C@H]1c1ccco1 ZINC000598592796 347668643 /nfs/dbraw/zinc/66/86/43/347668643.db2.gz NGZGCFBVWOUUCL-CABCVRRESA-N 0 3 290.407 3.497 20 30 CGEDHN COc1ccc([C@H]2CCN(CCCCC#N)C2)cc1F ZINC000599677998 347764950 /nfs/dbraw/zinc/76/49/50/347764950.db2.gz HLVIADUQVOUWAH-AWEZNQCLSA-N 0 3 276.355 3.317 20 30 CGEDHN CC1(C)CN(C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000599329637 347736168 /nfs/dbraw/zinc/73/61/68/347736168.db2.gz AWODYMZELYCPQJ-HZPDHXFCSA-N 0 3 284.403 3.124 20 30 CGEDHN Cc1cnc(CCN(C)Cc2ccc(C)c(C#N)c2)s1 ZINC000599340301 347737138 /nfs/dbraw/zinc/73/71/38/347737138.db2.gz SBNLNPJVGCKWLE-UHFFFAOYSA-N 0 3 285.416 3.306 20 30 CGEDHN CCO[C@H](CN[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599348624 347738213 /nfs/dbraw/zinc/73/82/13/347738213.db2.gz HWQPPLXQRZBZMU-MLGOLLRUSA-N 0 3 258.365 3.024 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cc2ccccc2o1 ZINC000599358138 347739720 /nfs/dbraw/zinc/73/97/20/347739720.db2.gz FAKNWRSTXUBRTM-TZMCWYRMSA-N 0 3 284.359 3.138 20 30 CGEDHN Cc1ccc(CN2CCCO[C@H](C(C)C)C2)cc1C#N ZINC000599431073 347743970 /nfs/dbraw/zinc/74/39/70/347743970.db2.gz OVHNBFYFRLYIBL-KRWDZBQOSA-N 0 3 272.392 3.114 20 30 CGEDHN Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1C#N ZINC000599436374 347745519 /nfs/dbraw/zinc/74/55/19/347745519.db2.gz JOMUTICMDNTEKZ-RBUKOAKNSA-N 0 3 292.382 3.175 20 30 CGEDHN Cc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1C#N ZINC000599453648 347746149 /nfs/dbraw/zinc/74/61/49/347746149.db2.gz WZWZWLFCIGGOFJ-AWEZNQCLSA-N 0 3 262.303 3.098 20 30 CGEDHN CCOCCN(CCCC#N)[C@@H]1CCc2ccccc21 ZINC000599625743 347759700 /nfs/dbraw/zinc/75/97/00/347759700.db2.gz NSSWRWGCBLNQDE-QGZVFWFLSA-N 0 3 272.392 3.316 20 30 CGEDHN C=CCCC(C)(C)NCc1cccc(C(=O)OCC)n1 ZINC000600174340 347789028 /nfs/dbraw/zinc/78/90/28/347789028.db2.gz MCYYIIQXXKAJON-UHFFFAOYSA-N 0 3 276.380 3.093 20 30 CGEDHN C=CC[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000600212123 347793423 /nfs/dbraw/zinc/79/34/23/347793423.db2.gz ADVAFTXMQIPDPF-SJORKVTESA-N 0 3 282.387 3.184 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc(C(F)F)nc1 ZINC000601127531 347872783 /nfs/dbraw/zinc/87/27/83/347872783.db2.gz IUHHGCWUOIPJKC-UHFFFAOYSA-N 0 3 253.296 3.049 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000601287402 347888925 /nfs/dbraw/zinc/88/89/25/347888925.db2.gz IHLZLTFBRBGHJR-MPESAESLSA-N 0 3 290.794 3.452 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3cccnc3c2)C1 ZINC000601292535 347889458 /nfs/dbraw/zinc/88/94/58/347889458.db2.gz QATDMQZXDTUSBW-CZUORRHYSA-N 0 3 265.360 3.407 20 30 CGEDHN CSCCCCCNCc1cccc(F)c1C#N ZINC000602016665 347933583 /nfs/dbraw/zinc/93/35/83/347933583.db2.gz ITXMUTVQXJCUFB-UHFFFAOYSA-N 0 3 266.385 3.320 20 30 CGEDHN C[C@H](CCC#N)CN1CCOc2ccccc2[C@H]1C ZINC000602446764 347959027 /nfs/dbraw/zinc/95/90/27/347959027.db2.gz AHXBFLLHLDACMH-ZIAGYGMSSA-N 0 3 258.365 3.382 20 30 CGEDHN Cc1ccccc1C(C)(C)CNCc1cccc(C#N)n1 ZINC000602531422 347976782 /nfs/dbraw/zinc/97/67/82/347976782.db2.gz HXTLXACAQDNMLQ-UHFFFAOYSA-N 0 3 279.387 3.329 20 30 CGEDHN COc1ccccc1C[C@@H](C)N(C)Cc1cccc(C#N)n1 ZINC000602466733 347962994 /nfs/dbraw/zinc/96/29/94/347962994.db2.gz WAUHXRZSZYVEHX-CQSZACIVSA-N 0 3 295.386 3.025 20 30 CGEDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1cccc(C#N)n1 ZINC000602477943 347965128 /nfs/dbraw/zinc/96/51/28/347965128.db2.gz UTXATQGLAHAEKG-NVXWUHKLSA-N 0 3 291.398 3.406 20 30 CGEDHN CC(C)[C@H](NCc1cccc(C#N)n1)c1ccccc1 ZINC000602502531 347971282 /nfs/dbraw/zinc/97/12/82/347971282.db2.gz MBCFEQKYALDKLU-KRWDZBQOSA-N 0 3 265.360 3.440 20 30 CGEDHN CC1(c2ccccc2)CC(NCc2cccc(C#N)n2)C1 ZINC000602537016 347977392 /nfs/dbraw/zinc/97/73/92/347977392.db2.gz LWYCQUGKMVUHFT-UHFFFAOYSA-N 0 3 277.371 3.163 20 30 CGEDHN Cc1cccc(C)c1OC[C@H](C)NCc1cccc(C#N)n1 ZINC000602519889 347975364 /nfs/dbraw/zinc/97/53/64/347975364.db2.gz AOHNZXGSAGCPQD-HNNXBMFYSA-N 0 3 295.386 3.127 20 30 CGEDHN C[C@@H]1CCc2ccccc2[C@H]1NCc1cccc(C#N)n1 ZINC000602577683 347986790 /nfs/dbraw/zinc/98/67/90/347986790.db2.gz ITJPTZZHBKNHCX-ACJLOTCBSA-N 0 3 277.371 3.366 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000602613805 347994822 /nfs/dbraw/zinc/99/48/22/347994822.db2.gz WMBUPQBPZZMHTF-ODVANORSSA-N 0 3 272.392 3.469 20 30 CGEDHN C[C@@H](CCC#N)CNCc1nc2ccccc2n1C1CC1 ZINC000602616127 347994837 /nfs/dbraw/zinc/99/48/37/347994837.db2.gz KROQYCYGSVAPGA-ZDUSSCGKSA-N 0 3 282.391 3.401 20 30 CGEDHN CC(C)(C#N)CN[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602617730 347994876 /nfs/dbraw/zinc/99/48/76/347994876.db2.gz ZRODAYAVODCLLP-FUHWJXTLSA-N 0 3 297.446 3.494 20 30 CGEDHN C[C@]1(c2ccccc2)CCN(CC2(CC#N)CC2)C1 ZINC000602786264 348029036 /nfs/dbraw/zinc/02/90/36/348029036.db2.gz FOGFQPNARVGCAE-INIZCTEOSA-N 0 3 254.377 3.344 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(F)c1N ZINC000602698814 348012233 /nfs/dbraw/zinc/01/22/33/348012233.db2.gz ZEIFSQJTTPVPGB-KRWDZBQOSA-N 0 3 295.361 3.447 20 30 CGEDHN C=CCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602712267 348015941 /nfs/dbraw/zinc/01/59/41/348015941.db2.gz YOVUPVBLEKISKI-UHFFFAOYSA-N 0 3 274.242 3.279 20 30 CGEDHN Cc1ccc(C[C@@H](C)NCc2cccc(C#N)n2)c(C)c1 ZINC000602545675 347979480 /nfs/dbraw/zinc/97/94/80/347979480.db2.gz NLCRJGMQWRLWTN-OAHLLOKOSA-N 0 3 279.387 3.291 20 30 CGEDHN CCc1ccc([C@@H](COC)NC[C@@H](C)CCC#N)o1 ZINC000602548668 347979834 /nfs/dbraw/zinc/97/98/34/347979834.db2.gz UWCYJHKWYCYBDF-GXTWGEPZSA-N 0 3 264.369 3.059 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc(C#N)cc2COC)CC1 ZINC000603291101 348068536 /nfs/dbraw/zinc/06/85/36/348068536.db2.gz NJWJXMUPGGBROA-UHFFFAOYSA-N 0 3 299.418 3.157 20 30 CGEDHN N#CCC1(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000602804395 348031308 /nfs/dbraw/zinc/03/13/08/348031308.db2.gz FEIZXVSILXYWLW-ZDUSSCGKSA-N 0 3 298.308 3.022 20 30 CGEDHN Cc1ccc(CN(CC2CC2)CC2(CC#N)CC2)cn1 ZINC000602850235 348036504 /nfs/dbraw/zinc/03/65/04/348036504.db2.gz CTPYLKNWNYOBEX-UHFFFAOYSA-N 0 3 269.392 3.296 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC=C(c2cnn(C)c2)C1 ZINC000602881735 348039908 /nfs/dbraw/zinc/03/99/08/348039908.db2.gz HFUBNFHIBIXUFN-CQSZACIVSA-N 0 3 292.386 3.142 20 30 CGEDHN CSC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000602919149 348043204 /nfs/dbraw/zinc/04/32/04/348043204.db2.gz HEGNEKCBBGOAGS-LBPRGKRZSA-N 0 3 260.406 3.447 20 30 CGEDHN CN(C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602981899 348051688 /nfs/dbraw/zinc/05/16/88/348051688.db2.gz KYVCRFACQOPWIA-LTIDMASMSA-N 0 3 254.377 3.414 20 30 CGEDHN C=CCCCCCN(C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000606919802 348209028 /nfs/dbraw/zinc/20/90/28/348209028.db2.gz LKXDZCCQSBSJLJ-MRXNPFEDSA-N 0 3 295.471 3.106 20 30 CGEDHN Cc1cccc2ncc(CN[C@@H](C)c3cccc(C#N)c3)n21 ZINC000610512305 348386776 /nfs/dbraw/zinc/38/67/76/348386776.db2.gz VHCSYZXJLXQBGG-AWEZNQCLSA-N 0 3 290.370 3.365 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000609921618 348358727 /nfs/dbraw/zinc/35/87/27/348358727.db2.gz UJGNCXBFNCMPBH-AWEZNQCLSA-N 0 3 272.392 3.311 20 30 CGEDHN C[C@@H]1CCN(Cc2ccnc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000610991972 348413857 /nfs/dbraw/zinc/41/38/57/348413857.db2.gz NTUNLGVAYLBGAO-KBRIMQKVSA-N 0 3 269.392 3.354 20 30 CGEDHN CC(C)[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000610991819 348414151 /nfs/dbraw/zinc/41/41/51/348414151.db2.gz PYAYAXCPJHJLNF-KRWDZBQOSA-N 0 3 265.360 3.440 20 30 CGEDHN CCN(CCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610992085 348415123 /nfs/dbraw/zinc/41/51/23/348415123.db2.gz XGBNLHOTIOUGDT-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN CC[C@@H](C)[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610993346 348415325 /nfs/dbraw/zinc/41/53/25/348415325.db2.gz NOTIHJYOGLWNHR-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccnc(C#N)c1 ZINC000610993441 348416317 /nfs/dbraw/zinc/41/63/17/348416317.db2.gz SOFMUTBGJUSVAE-PBHICJAKSA-N 0 3 277.371 3.331 20 30 CGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611388001 348443833 /nfs/dbraw/zinc/44/38/33/348443833.db2.gz JKPGBILQWCWXCR-AWEZNQCLSA-N 0 3 291.354 3.160 20 30 CGEDHN C[C@@H](NCCN1Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000611438229 348452074 /nfs/dbraw/zinc/45/20/74/348452074.db2.gz NYFSGZIISXFOQJ-OAHLLOKOSA-N 0 3 291.398 3.225 20 30 CGEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCCSCC#N ZINC000611554392 348460761 /nfs/dbraw/zinc/46/07/61/348460761.db2.gz NFBHVCVVUCCZDU-WDEREUQCSA-N 0 3 280.359 3.296 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000613426131 348600458 /nfs/dbraw/zinc/60/04/58/348600458.db2.gz SHTFQUUQZYYMKG-OCCSQVGLSA-N 0 3 286.423 3.145 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](Cc3ccncc3)C2)c1F ZINC000613180342 348571862 /nfs/dbraw/zinc/57/18/62/348571862.db2.gz WGHWQRNSZSGQCG-HNNXBMFYSA-N 0 3 295.361 3.157 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccccc2C#N)C12CCCC2 ZINC000339500604 215212637 /nfs/dbraw/zinc/21/26/37/215212637.db2.gz QTAUEKFQPXXKFI-DLBZAZTESA-N 0 3 284.403 3.386 20 30 CGEDHN CCN(Cc1ccc(Cl)cc1C#N)C[C@@H]1CCOC1 ZINC000614160959 348653746 /nfs/dbraw/zinc/65/37/46/348653746.db2.gz ZHILVKWNBMRWJN-LBPRGKRZSA-N 0 3 278.783 3.070 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000614407656 348674927 /nfs/dbraw/zinc/67/49/27/348674927.db2.gz VPDDSSCFFVMHQN-IAGOWNOFSA-N 0 3 286.419 3.096 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccnc(C#N)c2)C1(CC)CC ZINC000617541714 348965903 /nfs/dbraw/zinc/96/59/03/348965903.db2.gz PJYBQRFORWGRDN-JKSUJKDBSA-N 0 3 287.407 3.027 20 30 CGEDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000358557642 233154318 /nfs/dbraw/zinc/15/43/18/233154318.db2.gz CGPHSOIAPHUZNT-KNXALSJPSA-N 0 3 276.355 3.306 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)CN2CCC(C)CC2)CCCC1 ZINC000618995138 349193178 /nfs/dbraw/zinc/19/31/78/349193178.db2.gz GRQPTAPVLNRVBQ-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(CCC)C2)CCCCC1 ZINC000619905710 349288970 /nfs/dbraw/zinc/28/89/70/349288970.db2.gz XRROABBWQHXQEG-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN N#CCC1(CNCc2nccc3ccccc32)CC1 ZINC000619530066 349257013 /nfs/dbraw/zinc/25/70/13/349257013.db2.gz XNKXXSGJYGFYPI-UHFFFAOYSA-N 0 3 251.333 3.018 20 30 CGEDHN CCC[C@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619720750 349279088 /nfs/dbraw/zinc/27/90/88/349279088.db2.gz TXHFYCLMUJMUPY-WMLDXEAASA-N 0 3 289.398 3.197 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000625702184 350199799 /nfs/dbraw/zinc/19/97/99/350199799.db2.gz DYXPPBJHNYXYSW-INIZCTEOSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000625705210 350200919 /nfs/dbraw/zinc/20/09/19/350200919.db2.gz YPXBPGSWTQBUBX-CQSZACIVSA-N 0 3 283.375 3.443 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC#Cc1ccccc1Cl ZINC000625976184 350238889 /nfs/dbraw/zinc/23/88/89/350238889.db2.gz SPTVGHAJRWBXRZ-BCUIYNNISA-N 0 3 277.795 3.093 20 30 CGEDHN C=CCN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100203 350259540 /nfs/dbraw/zinc/25/95/40/350259540.db2.gz HEXIHZNFFPWYHA-GFCCVEGCSA-N 0 3 260.164 3.193 20 30 CGEDHN N#Cc1csc(CN2CCSC3(CCC3)CC2)c1 ZINC000335642352 212357674 /nfs/dbraw/zinc/35/76/74/212357674.db2.gz IHRVFOHCGLGQEY-UHFFFAOYSA-N 0 3 278.446 3.481 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCN2C2CCCC2)CCCC1 ZINC000628966362 350628658 /nfs/dbraw/zinc/62/86/58/350628658.db2.gz QQZSBIGPPHXEOJ-MRXNPFEDSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H]2c2ccccc2)nn1 ZINC000631184284 350981801 /nfs/dbraw/zinc/98/18/01/350981801.db2.gz JDFOJSZJUZEVSZ-QZTJIDSGSA-N 0 3 296.418 3.280 20 30 CGEDHN N#CC(C(=O)c1cccnc1)c1ccc2ccccc2n1 ZINC000631470611 351046200 /nfs/dbraw/zinc/04/62/00/351046200.db2.gz RUVUVQYKJQNRBD-AWEZNQCLSA-N 0 3 273.295 3.120 20 30 CGEDHN C=CCCC(C)(C)C[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000631680672 351117858 /nfs/dbraw/zinc/11/78/58/351117858.db2.gz QLJMQNIVDHEVNP-OAHLLOKOSA-N 0 3 284.407 3.476 20 30 CGEDHN C=CCCC(C)(C)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000631680672 351117861 /nfs/dbraw/zinc/11/78/61/351117861.db2.gz QLJMQNIVDHEVNP-OAHLLOKOSA-N 0 3 284.407 3.476 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000631818665 351148150 /nfs/dbraw/zinc/14/81/50/351148150.db2.gz TYTVCQXGQNAEFV-KRWDZBQOSA-N 0 3 298.430 3.076 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000633096060 351242656 /nfs/dbraw/zinc/24/26/56/351242656.db2.gz AASYAVMHBFVFBF-NVXWUHKLSA-N 0 3 298.430 3.122 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633375736 351289047 /nfs/dbraw/zinc/28/90/47/351289047.db2.gz IXIBYWRLBFLGCT-KRWDZBQOSA-N 0 3 290.407 3.298 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1F ZINC000124254500 187128922 /nfs/dbraw/zinc/12/89/22/187128922.db2.gz GLPAEQFWKXPRLO-CJNGLKHVSA-N 0 3 290.382 3.213 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCN(c3ccccc3)C2)o1 ZINC000365503033 234108121 /nfs/dbraw/zinc/10/81/21/234108121.db2.gz CJQHALXZEGYVCO-HNNXBMFYSA-N 0 3 295.386 3.157 20 30 CGEDHN C=CC[C@@H](CO)NCc1c(Cl)oc2ccccc21 ZINC000273495776 192175781 /nfs/dbraw/zinc/17/57/81/192175781.db2.gz OFOOLKDZMONINP-JTQLQIEISA-N 0 3 265.740 3.113 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCOC[C@H](C2CCC2)C1 ZINC000292141324 198179539 /nfs/dbraw/zinc/17/95/39/198179539.db2.gz MLKDVRFEAUZISU-RDTXWAMCSA-N 0 3 284.403 3.368 20 30 CGEDHN C=CCCN(C)Cc1cc(OC)c(OC)cc1SC ZINC000152659976 188034968 /nfs/dbraw/zinc/03/49/68/188034968.db2.gz CVBMEVQGPLTYNR-UHFFFAOYSA-N 0 3 281.421 3.434 20 30 CGEDHN CSC[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000292554575 198330976 /nfs/dbraw/zinc/33/09/76/198330976.db2.gz YWFKTTAOIXYQCM-OAHLLOKOSA-N 0 3 290.432 3.012 20 30 CGEDHN COc1ccccc1[C@@H](C)NCCOc1cccc(C#N)c1 ZINC000271683085 191276604 /nfs/dbraw/zinc/27/66/04/191276604.db2.gz KHHPHYABKHMWTP-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN COc1ccc([C@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000271724484 191291724 /nfs/dbraw/zinc/29/17/24/191291724.db2.gz XHXGNONOZAGDOT-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000119272363 370661924 /nfs/dbraw/zinc/66/19/24/370661924.db2.gz QSGUNFNSBAMCET-UHFFFAOYSA-N 0 3 270.376 3.117 20 30 CGEDHN N#Cc1ccccc1CN1CCSC2(CCC2)CC1 ZINC000411865912 235089887 /nfs/dbraw/zinc/08/98/87/235089887.db2.gz GOCGAKQAEZGCTN-UHFFFAOYSA-N 0 3 272.417 3.420 20 30 CGEDHN N#Cc1ccc([C@@H](O)CNC2(c3cccc(F)c3)CC2)cc1 ZINC000271786110 191327037 /nfs/dbraw/zinc/32/70/37/191327037.db2.gz MJQURPHUJPFPNM-KRWDZBQOSA-N 0 3 296.345 3.010 20 30 CGEDHN C#CCCCCN[C@@H](C)c1cc(Br)ncc1F ZINC000273819541 192320853 /nfs/dbraw/zinc/32/08/53/192320853.db2.gz CQGAHGHIIDCKII-JTQLQIEISA-N 0 3 299.187 3.437 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccncc1 ZINC000335191937 283194888 /nfs/dbraw/zinc/19/48/88/283194888.db2.gz MQVLHPKYWAMKJU-QGZVFWFLSA-N 0 3 263.344 3.120 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccsc1)CC2 ZINC000335764385 283198677 /nfs/dbraw/zinc/19/86/77/283198677.db2.gz PFOYFNHIRPMRLQ-OAHLLOKOSA-N 0 3 254.358 3.397 20 30 CGEDHN COc1ccc(CN2C[C@H](C)CC[C@H]2C)cc1C#N ZINC000088704607 138342811 /nfs/dbraw/zinc/34/28/11/138342811.db2.gz JFLRDSNAXDAVPU-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN CC(C)C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093338488 138345504 /nfs/dbraw/zinc/34/55/04/138345504.db2.gz YUGWVIWNPXGIGX-AWEZNQCLSA-N 0 3 282.391 3.074 20 30 CGEDHN C[C@@H](NCCOC1CCCC1)c1cccc(C#N)c1 ZINC000108942627 138361093 /nfs/dbraw/zinc/36/10/93/138361093.db2.gz FWUWHGKFIQEXNP-CYBMUJFWSA-N 0 3 258.365 3.168 20 30 CGEDHN C[C@H](c1cccnc1)N(C)CCOc1cccc(C#N)c1 ZINC000111272098 138364100 /nfs/dbraw/zinc/36/41/00/138364100.db2.gz DDPATPMPGSMQHK-CQSZACIVSA-N 0 3 281.359 3.025 20 30 CGEDHN Cc1ccccc1O[C@H](C)CNCc1ccc(C#N)s1 ZINC000176978164 189018277 /nfs/dbraw/zinc/01/82/77/189018277.db2.gz XPRFJYQDIPZLSE-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN N#Cc1cccc(C2(NCC[C@@H]3CCCCO3)CC2)c1 ZINC000341967510 216170802 /nfs/dbraw/zinc/17/08/02/216170802.db2.gz LQXLDWUZJRZAJV-INIZCTEOSA-N 0 3 270.376 3.096 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC000178791948 189146216 /nfs/dbraw/zinc/14/62/16/189146216.db2.gz NDWSXQMDLIYCKZ-JKSUJKDBSA-N 0 3 288.366 3.135 20 30 CGEDHN CCc1ccc([C@@H](CNc2ccc(C#N)nc2)N(C)C)cc1 ZINC000301514672 201040157 /nfs/dbraw/zinc/04/01/57/201040157.db2.gz GEGOVXREELPPDL-GOSISDBHSA-N 0 3 294.402 3.230 20 30 CGEDHN CC[C@@H](C)[C@@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000183057357 189344427 /nfs/dbraw/zinc/34/44/27/189344427.db2.gz XUDZYCVEDGFSHD-VXGBXAGGSA-N 0 3 284.363 3.132 20 30 CGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000119960780 370726311 /nfs/dbraw/zinc/72/63/11/370726311.db2.gz BQBUZEFKUMUJLF-LBPRGKRZSA-N 0 3 299.399 3.299 20 30 CGEDHN CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000120558524 370779836 /nfs/dbraw/zinc/77/98/36/370779836.db2.gz HQAHMFQFLGFHKV-OAHLLOKOSA-N 0 3 258.365 3.331 20 30 CGEDHN Cc1ccc(C#N)cc1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000275624718 193088559 /nfs/dbraw/zinc/08/85/59/193088559.db2.gz SNCOPZDRQOEQAI-MCIONIFRSA-N 0 3 285.391 3.067 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ncc[nH]2)CC1 ZINC000275595340 193083190 /nfs/dbraw/zinc/08/31/90/193083190.db2.gz KJWLCVVCENAFLT-CYBMUJFWSA-N 0 3 280.375 3.222 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)CCc1cccs1 ZINC000121078804 370827770 /nfs/dbraw/zinc/82/77/70/370827770.db2.gz VOILLBFXDXQVIA-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000459416205 242101387 /nfs/dbraw/zinc/10/13/87/242101387.db2.gz UQHGZMJPSSAYGO-XNRPHZJLSA-N 0 3 299.374 3.477 20 30 CGEDHN C=C(C)COCCNCc1ccccc1OC(F)(F)F ZINC000125801631 370941875 /nfs/dbraw/zinc/94/18/75/370941875.db2.gz XAFRCQPAHMQYCL-UHFFFAOYSA-N 0 3 289.297 3.268 20 30 CGEDHN CN(CCC(=O)Nc1ccccc1C#N)Cc1cccs1 ZINC000035126483 368998990 /nfs/dbraw/zinc/99/89/90/368998990.db2.gz QWINDBOBTCCVKS-UHFFFAOYSA-N 0 3 299.399 3.080 20 30 CGEDHN CC1CCC(N(C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000042294629 369210795 /nfs/dbraw/zinc/21/07/95/369210795.db2.gz DSCYSPKQXSSMSP-UHFFFAOYSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1occc1C)C(C)C ZINC000046049141 369289067 /nfs/dbraw/zinc/28/90/67/369289067.db2.gz BOWSUDDMZFFDSR-OAHLLOKOSA-N 0 3 290.407 3.016 20 30 CGEDHN CN(C/C=C/c1ccncc1)Cc1cccc(C#N)c1 ZINC000495083149 244355961 /nfs/dbraw/zinc/35/59/61/244355961.db2.gz YDUYKQWWTNVYFA-ZZXKWVIFSA-N 0 3 263.344 3.098 20 30 CGEDHN C[C@@H](CNc1snc(Cl)c1C#N)N1CCC[C@@H](C)C1 ZINC000048559909 369357961 /nfs/dbraw/zinc/35/79/61/369357961.db2.gz RUOADDLVLZVATO-ZJUUUORDSA-N 0 3 298.843 3.200 20 30 CGEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccoc1 ZINC000048910328 369373237 /nfs/dbraw/zinc/37/32/37/369373237.db2.gz UQKHUVAIFRYPEZ-UHFFFAOYSA-N 0 3 270.332 3.052 20 30 CGEDHN C=CCCN(C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000276506891 193361293 /nfs/dbraw/zinc/36/12/93/193361293.db2.gz WWWFQRDAYDEENK-UHFFFAOYSA-N 0 3 257.333 3.109 20 30 CGEDHN C=CCCN(C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000276468756 193343823 /nfs/dbraw/zinc/34/38/23/193343823.db2.gz RHHIAPNLDHFTFM-CYBMUJFWSA-N 0 3 273.298 3.247 20 30 CGEDHN C=CCNC(=O)CN1CCC[C@H]1c1cccc2ccccc21 ZINC000066468878 369695025 /nfs/dbraw/zinc/69/50/25/369695025.db2.gz QEVZCLBALQZOGY-SFHVURJKSA-N 0 3 294.398 3.279 20 30 CGEDHN CCCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000070926186 369807565 /nfs/dbraw/zinc/80/75/65/369807565.db2.gz GVOARUHWQYJAJA-HNNXBMFYSA-N 0 3 287.407 3.054 20 30 CGEDHN N#Cc1ccc(NC[C@@H](c2ccccc2)N2CCCC2)nc1 ZINC000075409629 369907720 /nfs/dbraw/zinc/90/77/20/369907720.db2.gz WTEZWLXTIAJTBL-KRWDZBQOSA-N 0 3 292.386 3.202 20 30 CGEDHN Cc1ncsc1CN(C)CCCC(C)(C)C#N ZINC000087608762 370028599 /nfs/dbraw/zinc/02/85/99/370028599.db2.gz VCYRLSVQNWHUMS-UHFFFAOYSA-N 0 3 251.399 3.213 20 30 CGEDHN C=C(C)CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000103494890 370330922 /nfs/dbraw/zinc/33/09/22/370330922.db2.gz BPISLTYUFWFDDJ-UHFFFAOYSA-N 0 3 282.428 3.141 20 30 CGEDHN Cc1cc(CN[C@@H]2CCC[C@@H]2OC(F)F)ccc1C#N ZINC000337299786 376201361 /nfs/dbraw/zinc/20/13/61/376201361.db2.gz PHOFQAHRBFDVGC-KGLIPLIRSA-N 0 3 280.318 3.117 20 30 CGEDHN C=CCCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129689028 370997691 /nfs/dbraw/zinc/99/76/91/370997691.db2.gz HMRCEOJGTXGZNF-GFCCVEGCSA-N 0 3 296.296 3.079 20 30 CGEDHN C=C(C)COCCNCc1ccc(Cl)cc1C ZINC000130174897 371016171 /nfs/dbraw/zinc/01/61/71/371016171.db2.gz ZTYZMRCCVPWJIX-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)C[C@H](C)C1 ZINC000130389694 371029743 /nfs/dbraw/zinc/02/97/43/371029743.db2.gz MYIJYMYUAAMKAI-BETUJISGSA-N 0 3 258.365 3.045 20 30 CGEDHN COCc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000130759531 371057098 /nfs/dbraw/zinc/05/70/98/371057098.db2.gz BFIMNLKJMGHCLF-UHFFFAOYSA-N 0 3 280.371 3.337 20 30 CGEDHN COCc1ccc([C@@H]2CCCN2CCCCC#N)o1 ZINC000131117760 371084558 /nfs/dbraw/zinc/08/45/58/371084558.db2.gz QKGVNPTZAJIZPU-AWEZNQCLSA-N 0 3 262.353 3.257 20 30 CGEDHN CCCCN(CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000132637206 371189734 /nfs/dbraw/zinc/18/97/34/371189734.db2.gz QMMCWKFKEZTYDL-LBPRGKRZSA-N 0 3 291.395 3.217 20 30 CGEDHN C[C@H](CCc1ccccc1)NCc1ccc(C#N)o1 ZINC000135122648 371392986 /nfs/dbraw/zinc/39/29/86/371392986.db2.gz YAOKPCCUKMPPDE-CYBMUJFWSA-N 0 3 254.333 3.262 20 30 CGEDHN Cc1cccc(C)c1NC(=O)CCCN1CCC(C#N)CC1 ZINC000136901405 371486893 /nfs/dbraw/zinc/48/68/93/371486893.db2.gz HYVQZRZZCFGZGX-UHFFFAOYSA-N 0 3 299.418 3.258 20 30 CGEDHN C#CCCCCNCc1c(Cl)n(C)nc1C(C)C ZINC000150735740 371534686 /nfs/dbraw/zinc/53/46/86/371534686.db2.gz WOBOSCCRAZIDOT-UHFFFAOYSA-N 0 3 267.804 3.090 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000151385914 371597516 /nfs/dbraw/zinc/59/75/16/371597516.db2.gz GICQSEBGNGKQOS-ZSEKCTLFSA-N 0 3 298.411 3.146 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)ccn1 ZINC000287618769 371683857 /nfs/dbraw/zinc/68/38/57/371683857.db2.gz SUPQZDFBKDFTQK-DZKIICNBSA-N 0 3 260.381 3.022 20 30 CGEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CC2 ZINC000421887186 371698378 /nfs/dbraw/zinc/69/83/78/371698378.db2.gz SMOVWWJGCKVWFJ-INIZCTEOSA-N 0 3 284.384 3.405 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000289559909 371761152 /nfs/dbraw/zinc/76/11/52/371761152.db2.gz AHWLFNKIIVQKMI-YPMHNXCESA-N 0 3 283.799 3.325 20 30 CGEDHN CC(C)C[C@@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000153448796 371770331 /nfs/dbraw/zinc/77/03/31/371770331.db2.gz MJROCNGSVFUDRN-HNNXBMFYSA-N 0 3 282.391 3.216 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCC(=C)Cl)cc1 ZINC000289675471 371790593 /nfs/dbraw/zinc/79/05/93/371790593.db2.gz HMMGZASUAIWUOV-GXTWGEPZSA-N 0 3 281.783 3.015 20 30 CGEDHN CN(CCOCc1ccc(C#N)cc1)[C@H]1C=CCCC1 ZINC000344070696 217037781 /nfs/dbraw/zinc/03/77/81/217037781.db2.gz MMRNIQZUNLIZIU-KRWDZBQOSA-N 0 3 270.376 3.115 20 30 CGEDHN CC#CCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000155755649 371942312 /nfs/dbraw/zinc/94/23/12/371942312.db2.gz GRBAQAMGPJITCK-HNNXBMFYSA-N 0 3 273.351 3.134 20 30 CGEDHN CC#CCCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000156530864 371982259 /nfs/dbraw/zinc/98/22/59/371982259.db2.gz SFWMMYXOOMOQDB-QGZVFWFLSA-N 0 3 299.418 3.076 20 30 CGEDHN CN(CC[C@H](O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000290467683 371995732 /nfs/dbraw/zinc/99/57/32/371995732.db2.gz WVVLMGZTRQNMOT-SFHVURJKSA-N 0 3 280.371 3.114 20 30 CGEDHN N#CCCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000157387480 372019150 /nfs/dbraw/zinc/01/91/50/372019150.db2.gz ZOZJYYXYAPOFFY-UHFFFAOYSA-N 0 3 278.783 3.487 20 30 CGEDHN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)C(C)C#N ZINC000425158923 372115320 /nfs/dbraw/zinc/11/53/20/372115320.db2.gz JPEDIARDFCZRMK-LLVKDONJSA-N 0 3 298.308 3.256 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2cccs2)CC1 ZINC000159233980 372120203 /nfs/dbraw/zinc/12/02/03/372120203.db2.gz DPYHKSQQSUAJBV-CYBMUJFWSA-N 0 3 292.448 3.008 20 30 CGEDHN C[C@@H]1CC[C@@](CO)(N(C)CC#Cc2cccc(Cl)c2)C1 ZINC000425918046 372145194 /nfs/dbraw/zinc/14/51/94/372145194.db2.gz LNUIRCVZMLZGSP-RHSMWYFYSA-N 0 3 291.822 3.174 20 30 CGEDHN C=C(C)CNCc1ccc(Br)c(C)c1 ZINC000160306970 372235511 /nfs/dbraw/zinc/23/55/11/372235511.db2.gz PKIYZKVADAJUOU-UHFFFAOYSA-N 0 3 254.171 3.423 20 30 CGEDHN CSC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000292299767 372187096 /nfs/dbraw/zinc/18/70/96/372187096.db2.gz DCYCJRCPDKSRKZ-MRXNPFEDSA-N 0 3 259.418 3.113 20 30 CGEDHN C#CCCCN(C)Cc1csc(Br)c1 ZINC000161107350 372302304 /nfs/dbraw/zinc/30/23/04/372302304.db2.gz NTOIWJIETDGJSU-UHFFFAOYSA-N 0 3 272.211 3.356 20 30 CGEDHN Cc1ccc2cc(CNCC3(CC#N)CC3)ccc2n1 ZINC000430002009 372381718 /nfs/dbraw/zinc/38/17/18/372381718.db2.gz FPJLASKHLNHOQI-UHFFFAOYSA-N 0 3 265.360 3.327 20 30 CGEDHN COc1cc(C)c([C@@H](C)NCC2(CC#N)CC2)cc1OC ZINC000430742191 372394463 /nfs/dbraw/zinc/39/44/63/372394463.db2.gz OFFVKRHKAQDCOI-CYBMUJFWSA-N 0 3 288.391 3.357 20 30 CGEDHN CO[C@H](c1ccccc1)[C@@H](C)NCC1(CC#N)CC1 ZINC000430736858 372394515 /nfs/dbraw/zinc/39/45/15/372394515.db2.gz GFEYXUVNNIRPKC-HIFRSBDPSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCC[C@H](NCCNC(=O)[C@@H](C)CCC)c1ccco1 ZINC000293591725 372421112 /nfs/dbraw/zinc/42/11/12/372421112.db2.gz CUCSDCQEYSUJIA-GJZGRUSLSA-N 0 3 292.423 3.429 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000293918925 372525268 /nfs/dbraw/zinc/52/52/68/372525268.db2.gz XQTNZKWEBZDGPJ-AWEZNQCLSA-N 0 3 263.381 3.327 20 30 CGEDHN C[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433311147 372587908 /nfs/dbraw/zinc/58/79/08/372587908.db2.gz GFVAZAXVWJFHQV-DOTOQJQBSA-N 0 3 284.403 3.408 20 30 CGEDHN C=CC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168130093 372607010 /nfs/dbraw/zinc/60/70/10/372607010.db2.gz VYRUIMPKMHZONU-SECBINFHSA-N 0 3 254.717 3.302 20 30 CGEDHN C=CCC[C@H](O)CN1CCC(F)(c2ccccc2)CC1 ZINC000434496405 372684860 /nfs/dbraw/zinc/68/48/60/372684860.db2.gz IARVOGULNAGXSV-INIZCTEOSA-N 0 3 277.383 3.274 20 30 CGEDHN C=CCC[C@@H](NCCc1nccnc1C)c1ccco1 ZINC000295067781 372690968 /nfs/dbraw/zinc/69/09/68/372690968.db2.gz RUDGWTWHRHIAET-OAHLLOKOSA-N 0 3 271.364 3.218 20 30 CGEDHN C[C@@H](N(C)CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)O ZINC000295139753 372694445 /nfs/dbraw/zinc/69/44/45/372694445.db2.gz KVBYLBKHRMJNFM-GFCCVEGCSA-N 0 3 299.336 3.148 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2Cl)CC1 ZINC000171680287 372806615 /nfs/dbraw/zinc/80/66/15/372806615.db2.gz LYFYBFRJLWEAPN-UHFFFAOYSA-N 0 3 293.798 3.112 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc([C@@H](C)O)cc2)cc1 ZINC000172115373 372908635 /nfs/dbraw/zinc/90/86/35/372908635.db2.gz FBXHEYLXKPFVOF-OAHLLOKOSA-N 0 3 295.382 3.042 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2cccc(Cl)c2)[C@H]2CCO[C@H]21 ZINC000295837609 372929403 /nfs/dbraw/zinc/92/94/03/372929403.db2.gz CTSXWBLHANMMQB-BZUAXINKSA-N 0 3 289.806 3.095 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000439681615 372980617 /nfs/dbraw/zinc/98/06/17/372980617.db2.gz OHVBPHKJAHHISV-RDJZCZTQSA-N 0 3 284.403 3.408 20 30 CGEDHN COc1cc(CN2CC[C@H](C)C(C)(C)C2)ccc1C#N ZINC000442840332 373101395 /nfs/dbraw/zinc/10/13/95/373101395.db2.gz KZFZQLXJKSQHAL-ZDUSSCGKSA-N 0 3 272.392 3.435 20 30 CGEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000443337895 373152067 /nfs/dbraw/zinc/15/20/67/373152067.db2.gz WCPLELAZGKVEFM-CPUCHLNUSA-N 0 3 291.822 3.173 20 30 CGEDHN COc1cc(CN2CCC[C@@H](C(C)C)C2)ccc1C#N ZINC000443070709 373149040 /nfs/dbraw/zinc/14/90/40/373149040.db2.gz OXTLYIUUZYCJAU-MRXNPFEDSA-N 0 3 272.392 3.435 20 30 CGEDHN CCN(CC)[C@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000174238143 373272293 /nfs/dbraw/zinc/27/22/93/373272293.db2.gz MLLZHVLAKZIKER-GOSISDBHSA-N 0 3 297.402 3.324 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2nc(Cl)ccc21 ZINC000296811359 373248912 /nfs/dbraw/zinc/24/89/12/373248912.db2.gz LWTRQOXARVDSRD-ZDUSSCGKSA-N 0 3 280.799 3.295 20 30 CGEDHN Cc1cc(C)cc(CCNCc2ccc(C#N)o2)c1 ZINC000174423265 373313466 /nfs/dbraw/zinc/31/34/66/373313466.db2.gz TZBXJTPXAPHTBM-UHFFFAOYSA-N 0 3 254.333 3.100 20 30 CGEDHN N#Cc1ccc(CNCCCCOCCc2ccccc2)o1 ZINC000174280817 373282832 /nfs/dbraw/zinc/28/28/32/373282832.db2.gz JTZJFWULMKUNCM-UHFFFAOYSA-N 0 3 298.386 3.280 20 30 CGEDHN CCN(C[C@H]1CCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000299074832 373455556 /nfs/dbraw/zinc/45/55/56/373455556.db2.gz QECBOIDPCJJCTR-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000447580849 373456458 /nfs/dbraw/zinc/45/64/58/373456458.db2.gz QLOVJRWAHXKIIB-RYUDHWBXSA-N 0 3 265.353 3.462 20 30 CGEDHN COc1cc(CN2CCC[C@@H](C)[C@H]2C)ccc1C#N ZINC000300115247 373619698 /nfs/dbraw/zinc/61/96/98/373619698.db2.gz DPTBLVKRDZLCJP-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN N#CCCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449131372 373664218 /nfs/dbraw/zinc/66/42/18/373664218.db2.gz MEXZAPVWFIPBIC-LLVKDONJSA-N 0 3 268.282 3.375 20 30 CGEDHN C=CCc1cc(CNCc2ccnc(C)c2)cc(OC)c1O ZINC000449401358 373687256 /nfs/dbraw/zinc/68/72/56/373687256.db2.gz GUXSNZGYHBRGPA-UHFFFAOYSA-N 0 3 298.386 3.123 20 30 CGEDHN N#Cc1cccc(NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC000301271022 373723383 /nfs/dbraw/zinc/72/33/83/373723383.db2.gz KBCYDEAYNSPILO-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN C=C(C)CCNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000449473696 373759141 /nfs/dbraw/zinc/75/91/41/373759141.db2.gz IHTQVHCPEAREQI-GFCCVEGCSA-N 0 3 261.365 3.074 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccncc2)cc1F ZINC000449517322 373816170 /nfs/dbraw/zinc/81/61/70/373816170.db2.gz FFTRWKIKZBCBHI-MSOLQXFVSA-N 0 3 298.361 3.321 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCCCCC2)CCCC1 ZINC000449518297 373818280 /nfs/dbraw/zinc/81/82/80/373818280.db2.gz NNNIMBLXBBXZCL-UHFFFAOYSA-N 0 3 278.440 3.115 20 30 CGEDHN CO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000449520197 373820605 /nfs/dbraw/zinc/82/06/05/373820605.db2.gz FOWNXUZXDUWROR-ZIAGYGMSSA-N 0 3 298.308 3.234 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000449546442 373829780 /nfs/dbraw/zinc/82/97/80/373829780.db2.gz CBHNWOVSMLNPMZ-BEAPCOKYSA-N 0 3 261.365 3.226 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC2CC2)cc1 ZINC000449549388 373830503 /nfs/dbraw/zinc/83/05/03/373830503.db2.gz XNZXJJKZWCUCQF-MSOLQXFVSA-N 0 3 287.403 3.299 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000449546443 373830570 /nfs/dbraw/zinc/83/05/70/373830570.db2.gz CBHNWOVSMLNPMZ-MHEUCROKSA-N 0 3 261.365 3.226 20 30 CGEDHN C=CCC1(CNCc2ncc(CN(C)C)s2)CCCC1 ZINC000449603893 373834068 /nfs/dbraw/zinc/83/40/68/373834068.db2.gz ILEVZRRICQCSJW-UHFFFAOYSA-N 0 3 293.480 3.431 20 30 CGEDHN COc1ccc(CN(C)CC(C)(C)CCC#N)c(OC)c1 ZINC000179618090 373896450 /nfs/dbraw/zinc/89/64/50/373896450.db2.gz PXHLDJWSLZXMAW-UHFFFAOYSA-N 0 3 290.407 3.466 20 30 CGEDHN C=CCc1cc(CNCC(=C)CC)cc(OC)c1O ZINC000449731369 373858967 /nfs/dbraw/zinc/85/89/67/373858967.db2.gz IJUXVGXVDNSPAM-UHFFFAOYSA-N 0 3 261.365 3.185 20 30 CGEDHN C=C(C)CN[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000180033216 373956704 /nfs/dbraw/zinc/95/67/04/373956704.db2.gz KOVUINAMOGBDDZ-FZMZJTMJSA-N 0 3 274.364 3.023 20 30 CGEDHN CC1(C)C[C@@H](NCc2cc(C#N)cs2)C(C)(C)O1 ZINC000180369179 373995479 /nfs/dbraw/zinc/99/54/79/373995479.db2.gz FPECRYVMHLLOBD-GFCCVEGCSA-N 0 3 264.394 3.055 20 30 CGEDHN C=CCN(Cc1cccs1)CC1CCC(=O)CC1 ZINC000450222065 374006400 /nfs/dbraw/zinc/00/64/00/374006400.db2.gz ZEZQDQXBGZNXQM-UHFFFAOYSA-N 0 3 263.406 3.495 20 30 CGEDHN CCC1(CC)[C@@H](NCc2ccc(C#N)o2)[C@@H](C)[C@@H]1OC ZINC000180213568 373978809 /nfs/dbraw/zinc/97/88/09/373978809.db2.gz NLBJVTMFIIFSTR-UGFHNGPFSA-N 0 3 276.380 3.081 20 30 CGEDHN C=CCN1CCC(Nc2nccc3c(OC)cccc32)CC1 ZINC000450317184 374054967 /nfs/dbraw/zinc/05/49/67/374054967.db2.gz JRMKRKBLVKRZHC-UHFFFAOYSA-N 0 3 297.402 3.306 20 30 CGEDHN CCC[C@H](CCO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305831342 374117577 /nfs/dbraw/zinc/11/75/77/374117577.db2.gz UKBBMQNHEJIEOH-CHWSQXEVSA-N 0 3 278.371 3.147 20 30 CGEDHN C=C(C)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181448089 374124519 /nfs/dbraw/zinc/12/45/19/374124519.db2.gz UKDQDYDXKWIRIA-ZDUSSCGKSA-N 0 3 258.365 3.040 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCOc2ccccc21 ZINC000181766382 374167886 /nfs/dbraw/zinc/16/78/86/374167886.db2.gz PPMTZUFWHFATSY-OAHLLOKOSA-N 0 3 261.365 3.083 20 30 CGEDHN C=CCN(C)Cc1ccc(F)c(CN(C)CC=C)c1 ZINC000450763000 374177633 /nfs/dbraw/zinc/17/76/33/374177633.db2.gz OTMLKWBIZUELLQ-UHFFFAOYSA-N 0 3 262.372 3.061 20 30 CGEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000316121570 374333159 /nfs/dbraw/zinc/33/31/59/374333159.db2.gz DHBKJZFQSURVLW-LSDHHAIUSA-N 0 3 299.418 3.397 20 30 CGEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1CCC(C)(C)CC1 ZINC000316641634 374333793 /nfs/dbraw/zinc/33/37/93/374333793.db2.gz CDQRARBEGVTYDH-UHFFFAOYSA-N 0 3 299.418 3.397 20 30 CGEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1C#N ZINC000318922101 374343623 /nfs/dbraw/zinc/34/36/23/374343623.db2.gz XNUVAGGUXHVBPX-ZDUSSCGKSA-N 0 3 291.354 3.289 20 30 CGEDHN N#CC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCCC1 ZINC000329944723 374445513 /nfs/dbraw/zinc/44/55/13/374445513.db2.gz IPRAPNGGMAHKFQ-AWEZNQCLSA-N 0 3 275.396 3.044 20 30 CGEDHN Cc1cc([C@H](C)NCCOc2ccc(C#N)cc2)c(C)o1 ZINC000183800677 374457865 /nfs/dbraw/zinc/45/78/65/374457865.db2.gz UHSMLBSGYNGOIP-ZDUSSCGKSA-N 0 3 284.359 3.498 20 30 CGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2CCC)CC1 ZINC000186017132 374784934 /nfs/dbraw/zinc/78/49/34/374784934.db2.gz SMWKXTPJIFHPRM-MRXNPFEDSA-N 0 3 293.455 3.001 20 30 CGEDHN N#Cc1csc(CN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000334483462 374788714 /nfs/dbraw/zinc/78/87/14/374788714.db2.gz YIBJSOYLZFAIOV-OAHLLOKOSA-N 0 3 276.405 3.012 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000186720277 374905827 /nfs/dbraw/zinc/90/58/27/374905827.db2.gz WGHFDNYBKFNRKC-KOLCDFICSA-N 0 3 289.297 3.015 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000186717600 374905992 /nfs/dbraw/zinc/90/59/92/374905992.db2.gz JLXNCKRIRQGNPA-RYUDHWBXSA-N 0 3 285.334 3.184 20 30 CGEDHN CC[C@@H]1CN(C(=O)C(C)C#N)CC[C@H]1c1ccccc1 ZINC000470187637 374995821 /nfs/dbraw/zinc/99/58/21/374995821.db2.gz IOLPXZSLLJKLBR-SQWLQELKSA-N 0 3 270.376 3.188 20 30 CGEDHN CC[C@@H]1CN(C(=O)C(C)C#N)CC[C@@H]1c1ccccc1 ZINC000470187634 374995969 /nfs/dbraw/zinc/99/59/69/374995969.db2.gz IOLPXZSLLJKLBR-FMKPAKJESA-N 0 3 270.376 3.188 20 30 CGEDHN CC#CCCNCc1ccc(OCCC)c(OCC)c1 ZINC000482164447 375167939 /nfs/dbraw/zinc/16/79/39/375167939.db2.gz PCQNDMRWDAZOGJ-UHFFFAOYSA-N 0 3 275.392 3.377 20 30 CGEDHN CC(C)C[C@@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000487445599 375242212 /nfs/dbraw/zinc/24/22/12/375242212.db2.gz VJZIXAPDNKPQHF-AEFFLSMTSA-N 0 3 285.435 3.303 20 30 CGEDHN C#CCOc1ccccc1CN1CCC([C@H]2CCCO2)CC1 ZINC000188272737 375188331 /nfs/dbraw/zinc/18/83/31/375188331.db2.gz FTYOKNXKJAABFZ-GOSISDBHSA-N 0 3 299.414 3.090 20 30 CGEDHN COCCN(CC#Cc1ccccc1)[C@H]1CC[C@H](C)C1 ZINC000484874771 375191293 /nfs/dbraw/zinc/19/12/93/375191293.db2.gz YHBKATKBAPEGLT-WMZOPIPTSA-N 0 3 271.404 3.175 20 30 CGEDHN CCC[C@H](CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000486065149 375194959 /nfs/dbraw/zinc/19/49/59/375194959.db2.gz SCJUUKLVGDVMHN-HOTGVXAUSA-N 0 3 272.392 3.454 20 30 CGEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1cccs1 ZINC000189590618 375419878 /nfs/dbraw/zinc/41/98/78/375419878.db2.gz PRRCYDXTLOAICM-ZDUSSCGKSA-N 0 3 259.378 3.199 20 30 CGEDHN C[C@H]1OCC[C@]1(C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000494234413 375485957 /nfs/dbraw/zinc/48/59/57/375485957.db2.gz PHQBGKNVEPTVKB-DOMZBBRYSA-N 0 3 297.320 3.214 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1Cl ZINC000494491028 375488282 /nfs/dbraw/zinc/48/82/82/375488282.db2.gz ZKQAADFYADVTKX-CABCVRRESA-N 0 3 295.810 3.154 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(F)c(F)c2)s1 ZINC000190296508 375490948 /nfs/dbraw/zinc/49/09/48/375490948.db2.gz MFCNXJUMRMUSBY-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN C[C@H]1CC[C@](CO)(N(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000495247366 375499200 /nfs/dbraw/zinc/49/92/00/375499200.db2.gz NDPZFKWGBOLRFJ-YOEHRIQHSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCC[C@@H](C)N[C@H](CO)c1cccc(Cl)c1F ZINC000499939749 375633539 /nfs/dbraw/zinc/63/35/39/375633539.db2.gz NTYFVSNKDZLQNK-ZWNOBZJWSA-N 0 3 271.763 3.457 20 30 CGEDHN CC(C)=CCNCc1cccc(OCCCC#N)c1 ZINC000191629725 375645648 /nfs/dbraw/zinc/64/56/48/375645648.db2.gz JIUZMLHEWHNPPU-UHFFFAOYSA-N 0 3 258.365 3.425 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000336072877 375663571 /nfs/dbraw/zinc/66/35/71/375663571.db2.gz JXZBMLLHSCDRAA-YPMHNXCESA-N 0 3 283.331 3.041 20 30 CGEDHN C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000336078046 375668347 /nfs/dbraw/zinc/66/83/47/375668347.db2.gz XASDLPKEQFMNEW-FZKQIMNGSA-N 0 3 294.402 3.410 20 30 CGEDHN C=C(C)CCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000508991506 375767079 /nfs/dbraw/zinc/76/70/79/375767079.db2.gz RABLOBFWVQNEEH-CQSZACIVSA-N 0 3 298.224 3.381 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCNc2ccccc21 ZINC000193052455 375820345 /nfs/dbraw/zinc/82/03/45/375820345.db2.gz RSQZTRNMCQRZSL-MRXNPFEDSA-N 0 3 260.381 3.116 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000336471638 375797268 /nfs/dbraw/zinc/79/72/68/375797268.db2.gz JKGVMSOXTOEHQR-NSHDSACASA-N 0 3 274.751 3.115 20 30 CGEDHN C=CCSCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192977031 375809899 /nfs/dbraw/zinc/80/98/99/375809899.db2.gz MPVAYHMXNGJKIC-OAHLLOKOSA-N 0 3 292.404 3.481 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000510906097 375788498 /nfs/dbraw/zinc/78/84/98/375788498.db2.gz WDWPRJDZNZEXBE-SFHVURJKSA-N 0 3 288.435 3.399 20 30 CGEDHN C=C(CC)CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000511544388 375790395 /nfs/dbraw/zinc/79/03/95/375790395.db2.gz YWXLNEQFNNPMSJ-CQSZACIVSA-N 0 3 298.224 3.212 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](c2nc(C)no2)C1 ZINC000193316375 375859335 /nfs/dbraw/zinc/85/93/35/375859335.db2.gz AZPVELBZPGULRR-CQSZACIVSA-N 0 3 263.385 3.304 20 30 CGEDHN CC(C)c1cccc2c1CCN(C[C@@H](O)CC1(C#N)CC1)C2 ZINC000528469969 375903868 /nfs/dbraw/zinc/90/38/68/375903868.db2.gz KIJPOVGAWCIVTG-INIZCTEOSA-N 0 3 298.430 3.223 20 30 CGEDHN Cc1cccc2c1OCC[C@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000193349601 375866107 /nfs/dbraw/zinc/86/61/07/375866107.db2.gz AKXFZHZDQULHOP-IIAWOOMASA-N 0 3 270.376 3.491 20 30 CGEDHN N#CC(C(=O)C1CCc2ccccc2CC1)c1ccccn1 ZINC000528920879 375914365 /nfs/dbraw/zinc/91/43/65/375914365.db2.gz PICSGVVLLAHIIB-KRWDZBQOSA-N 0 3 290.366 3.453 20 30 CGEDHN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000528928447 375915698 /nfs/dbraw/zinc/91/56/98/375915698.db2.gz NVUSNHLUURSDNP-OKFJQDPLSA-N 0 3 280.327 3.296 20 30 CGEDHN N#Cc1cccc(OC2CCN(C[C@H]3CCC=CO3)CC2)c1 ZINC000193766320 375920347 /nfs/dbraw/zinc/92/03/47/375920347.db2.gz DANPMQTUOQQWSL-GOSISDBHSA-N 0 3 298.386 3.094 20 30 CGEDHN COc1cc(CNCc2cccc3cc[nH]c32)ccc1C#N ZINC000337192798 376127226 /nfs/dbraw/zinc/12/72/26/376127226.db2.gz UYKZUDGOSOXTOK-UHFFFAOYSA-N 0 3 291.354 3.338 20 30 CGEDHN C=CCN(C[C@@H](O)COc1cccc2ccccc21)C1CC1 ZINC000536743199 376128505 /nfs/dbraw/zinc/12/85/05/376128505.db2.gz RJNGNMZTIXEYSE-QGZVFWFLSA-N 0 3 297.398 3.230 20 30 CGEDHN C[C@@H](NCC[S@@](=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000338351931 376345185 /nfs/dbraw/zinc/34/51/85/376345185.db2.gz DEZFAOYVCAEYAY-SPLOXXLWSA-N 0 3 298.411 3.017 20 30 CGEDHN C=C(CC)CN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000539118549 376295638 /nfs/dbraw/zinc/29/56/38/376295638.db2.gz OANOVHKWRWESCU-UHFFFAOYSA-N 0 3 290.382 3.442 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000540344423 376371046 /nfs/dbraw/zinc/37/10/46/376371046.db2.gz BIGJRSOKJYSWLY-ZIAGYGMSSA-N 0 3 274.399 3.393 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C)[C@@H]1C ZINC000227269867 376385765 /nfs/dbraw/zinc/38/57/65/376385765.db2.gz HZZGQQGAAFHHTR-OLZOCXBDSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CSC2(C)C)cc1OC ZINC000338481534 376391590 /nfs/dbraw/zinc/39/15/90/376391590.db2.gz YUYKRADNPSTWCD-HNNXBMFYSA-N 0 3 293.432 3.244 20 30 CGEDHN C[C@@H](CNc1ncc(C#N)cc1Cl)N1CCCC[C@H]1C ZINC000339135583 376701648 /nfs/dbraw/zinc/70/16/48/376701648.db2.gz FKFWKYWAZBXQRA-NEPJUHHUSA-N 0 3 292.814 3.281 20 30 CGEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(C)C#N ZINC000339568895 376762347 /nfs/dbraw/zinc/76/23/47/376762347.db2.gz MWWSDKMUSDVQPX-KOLCDFICSA-N 0 3 279.409 3.254 20 30 CGEDHN CC[C@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000544455092 376740214 /nfs/dbraw/zinc/74/02/14/376740214.db2.gz NSAPQLMEJFNWSS-HOTGVXAUSA-N 0 3 277.795 3.239 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](CC3CC3)C2)c(F)c1 ZINC000339672368 376797790 /nfs/dbraw/zinc/79/77/90/376797790.db2.gz ANWMWVSKKHPKBJ-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](CC3CC3)C2)c(F)c1 ZINC000339672366 376797848 /nfs/dbraw/zinc/79/78/48/376797848.db2.gz ANWMWVSKKHPKBJ-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCC(C)(C)C#N ZINC000245408957 376808318 /nfs/dbraw/zinc/80/83/18/376808318.db2.gz JWQKHSIJACUMLR-KKUMJFAQSA-N 0 3 292.423 3.122 20 30 CGEDHN CC#CCN(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000554860775 376852804 /nfs/dbraw/zinc/85/28/04/376852804.db2.gz OMCUFGYHZNJQQZ-AWEZNQCLSA-N 0 3 287.403 3.328 20 30 CGEDHN C=CCCN1CCN(c2cccc(Br)c2)CC1 ZINC000556508159 376863562 /nfs/dbraw/zinc/86/35/62/376863562.db2.gz HSJPNWKYVVXTBL-UHFFFAOYSA-N 0 3 295.224 3.147 20 30 CGEDHN N#Cc1ccccc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246815027 377094665 /nfs/dbraw/zinc/09/46/65/377094665.db2.gz NLJQRILGQRGQOP-PKOBYXMFSA-N 0 3 295.430 3.007 20 30 CGEDHN N#Cc1ccc(NC[C@@H](c2cccs2)N2CCCC2)nc1 ZINC000247701919 377235434 /nfs/dbraw/zinc/23/54/34/377235434.db2.gz ACULTCKFXBUQDQ-AWEZNQCLSA-N 0 3 298.415 3.264 20 30 CGEDHN C=CCN(CCc1ccncc1C)Cc1cccc(C#N)c1 ZINC000563884104 377474511 /nfs/dbraw/zinc/47/45/11/377474511.db2.gz BAPNGBLNESYWRT-UHFFFAOYSA-N 0 3 291.398 3.492 20 30 CGEDHN CCC[C@]1(COC)CCCN1CC#Cc1ccc(F)cc1 ZINC000572207356 377547987 /nfs/dbraw/zinc/54/79/87/377547987.db2.gz GDBMFGTZYRGREV-GOSISDBHSA-N 0 3 289.394 3.458 20 30 CGEDHN CN1CCN(Cc2ccc(C#N)cc2)CC12CCCCC2 ZINC000514735372 249188052 /nfs/dbraw/zinc/18/80/52/249188052.db2.gz CPQSKPIHENEQII-UHFFFAOYSA-N 0 3 283.419 3.009 20 30 CGEDHN C=CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000177101247 542190680 /nfs/dbraw/zinc/19/06/80/542190680.db2.gz WMTQQXKDSNUOAS-GJZGRUSLSA-N 0 3 272.392 3.078 20 30 CGEDHN CCC[C@H](C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564088810 322020307 /nfs/dbraw/zinc/02/03/07/322020307.db2.gz CFQRQLWDXKLOOU-NSHDSACASA-N 0 3 261.325 3.087 20 30 CGEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000251658325 377593702 /nfs/dbraw/zinc/59/37/02/377593702.db2.gz BORTWEBTDIHPII-UONOGXRCSA-N 0 3 287.407 3.253 20 30 CGEDHN CCCCN(C(=O)C(C)C#N)[C@H]1CCC[C@@H](C)C1 ZINC000573993942 377604744 /nfs/dbraw/zinc/60/47/44/377604744.db2.gz SCBBGVTURDTXFG-MCIONIFRSA-N 0 3 250.386 3.353 20 30 CGEDHN C=C(C)CN(CCn1cc(C)cn1)Cc1ccccc1 ZINC000342138133 377631837 /nfs/dbraw/zinc/63/18/37/377631837.db2.gz SQFFKVALDJQPTP-UHFFFAOYSA-N 0 3 269.392 3.270 20 30 CGEDHN C=CCCN(C)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000342718036 377754090 /nfs/dbraw/zinc/75/40/90/377754090.db2.gz HGXKGQZOUNQYRD-AWEZNQCLSA-N 0 3 292.398 3.243 20 30 CGEDHN CC(C#N)C(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000342753698 377775364 /nfs/dbraw/zinc/77/53/64/377775364.db2.gz HFKXZMOEZSSNFR-IPYPFGDCSA-N 0 3 256.349 3.146 20 30 CGEDHN CCO[C@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C ZINC000342810293 377809424 /nfs/dbraw/zinc/80/94/24/377809424.db2.gz QHHKZCGGJVCCJO-HOTGVXAUSA-N 0 3 284.403 3.341 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2C2CCC2)c1 ZINC000343014283 377881540 /nfs/dbraw/zinc/88/15/40/377881540.db2.gz HIFOYCDRAPZVQX-INIZCTEOSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000263682513 377949893 /nfs/dbraw/zinc/94/98/93/377949893.db2.gz PCEKIMLYDQETEK-DOTOQJQBSA-N 0 3 284.403 3.096 20 30 CGEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccc(Cl)cn1 ZINC000343528111 378008331 /nfs/dbraw/zinc/00/83/31/378008331.db2.gz IDLQNYDQAUUXIS-LBPRGKRZSA-N 0 3 285.778 3.500 20 30 CGEDHN CC(C)(C#N)CCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000266025527 378013711 /nfs/dbraw/zinc/01/37/11/378013711.db2.gz QWLRWDNSHOUECO-QGZVFWFLSA-N 0 3 286.419 3.372 20 30 CGEDHN C=CCOc1cccc(CN(C)CC[C@@H]2CCCO2)c1 ZINC000343459369 377985958 /nfs/dbraw/zinc/98/59/58/377985958.db2.gz DCFAQKCVMZZZLG-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266968359 378029077 /nfs/dbraw/zinc/02/90/77/378029077.db2.gz YULJIZGPYWYBFV-XJKSGUPXSA-N 0 3 280.375 3.222 20 30 CGEDHN Cc1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000268640043 378083800 /nfs/dbraw/zinc/08/38/00/378083800.db2.gz DGAHMKQUUFWGJM-INIZCTEOSA-N 0 3 286.400 3.094 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1ccc(F)cc1 ZINC000268632166 378084507 /nfs/dbraw/zinc/08/45/07/378084507.db2.gz KQSIWTJTIPPWEZ-DOMZBBRYSA-N 0 3 251.345 3.146 20 30 CGEDHN C[C@H](c1ccc(F)cc1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268619311 378081786 /nfs/dbraw/zinc/08/17/86/378081786.db2.gz NGULIHPIWNGFLA-FZKQIMNGSA-N 0 3 298.361 3.424 20 30 CGEDHN C=CCCCN1CCN(c2nccc3sccc32)CC1 ZINC000343955460 378143297 /nfs/dbraw/zinc/14/32/97/378143297.db2.gz CHBSTFMFNJNGAE-UHFFFAOYSA-N 0 3 287.432 3.385 20 30 CGEDHN N#Cc1ccncc1N1CCN(CC2CCCCCC2)CC1 ZINC000578707149 378093301 /nfs/dbraw/zinc/09/33/01/378093301.db2.gz MEASCKDHXLFGPG-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)[C@@H]1CCC[C@H]1C ZINC000579727337 378188258 /nfs/dbraw/zinc/18/82/58/378188258.db2.gz GLJUENBOLHDYCG-IUODEOHRSA-N 0 3 278.421 3.257 20 30 CGEDHN COc1cncc(/C=C\CCN2CCC(C)(C#N)CC2)c1 ZINC000579832375 378198978 /nfs/dbraw/zinc/19/89/78/378198978.db2.gz ZQOUNXWUZQBTBG-HYXAFXHYSA-N 0 3 285.391 3.119 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(C#N)CCCCC2)c1 ZINC000270370757 378342234 /nfs/dbraw/zinc/34/22/34/378342234.db2.gz JUIZVITYBWKEDK-UHFFFAOYSA-N 0 3 299.418 3.469 20 30 CGEDHN CCCN(CCN1CCCCCC1)Cc1ccc(C#N)o1 ZINC000584080578 378373124 /nfs/dbraw/zinc/37/31/24/378373124.db2.gz ITKYXKBVDMUFJB-UHFFFAOYSA-N 0 3 289.423 3.239 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000345817310 378377452 /nfs/dbraw/zinc/37/74/52/378377452.db2.gz XUBJEGZBIOAEDE-RKDXNWHRSA-N 0 3 285.174 3.373 20 30 CGEDHN COc1ccc(C2(NCCC(C)(C)C#N)CC2)cc1 ZINC000345946666 378417111 /nfs/dbraw/zinc/41/71/11/378417111.db2.gz DIWUIRHOWAQOSN-UHFFFAOYSA-N 0 3 258.365 3.214 20 30 CGEDHN CCN(Cc1ccn(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000271098664 378452160 /nfs/dbraw/zinc/45/21/60/378452160.db2.gz ODVNENUNVRCPOA-AWEZNQCLSA-N 0 3 267.376 3.480 20 30 CGEDHN CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(C)C#N ZINC000346056424 378452377 /nfs/dbraw/zinc/45/23/77/378452377.db2.gz BHGTWKAPUWZFSR-HIFRSBDPSA-N 0 3 258.365 3.016 20 30 CGEDHN CO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1(C)C ZINC000346127657 378471752 /nfs/dbraw/zinc/47/17/52/378471752.db2.gz CSKBWPMRYLJVGN-COLVAYQJSA-N 0 3 276.355 3.161 20 30 CGEDHN CCC(CC)[C@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271934301 378522135 /nfs/dbraw/zinc/52/21/35/378522135.db2.gz JLHKOWYBAZBVEX-MEDUHNTESA-N 0 3 278.371 3.145 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C(C)(C)C ZINC000271934420 378522342 /nfs/dbraw/zinc/52/23/42/378522342.db2.gz JRNHHJPABGMLKE-ABAIWWIYSA-N 0 3 278.371 3.409 20 30 CGEDHN C[C@@H](NCCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346199921 378502290 /nfs/dbraw/zinc/50/22/90/378502290.db2.gz QIMQKYKFNIUYQI-MRVPVSSYSA-N 0 3 260.234 3.300 20 30 CGEDHN CC[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000271734627 378502927 /nfs/dbraw/zinc/50/29/27/378502927.db2.gz ZFTUWQGQUKFIFH-INIZCTEOSA-N 0 3 299.418 3.070 20 30 CGEDHN C[C@@H](NC[C@H](O)c1ccsc1)c1ccc(C#N)c(F)c1 ZINC000271986307 378537191 /nfs/dbraw/zinc/53/71/91/378537191.db2.gz YAYIPDXTVIBRLO-BMIGLBTASA-N 0 3 290.363 3.143 20 30 CGEDHN C[C@@H](N[C@@H](CO)CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271985168 378538190 /nfs/dbraw/zinc/53/81/90/378538190.db2.gz XZZRJIUBVYARPX-BXUZGUMPSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC(C)(C)C1 ZINC000346320317 378542358 /nfs/dbraw/zinc/54/23/58/378542358.db2.gz GCVPJYFFFULONO-ZDUSSCGKSA-N 0 3 282.391 3.074 20 30 CGEDHN C#CCCOc1ccc(CN[C@H](C)[C@H]2CCCCO2)cc1 ZINC000272021504 378547740 /nfs/dbraw/zinc/54/77/40/378547740.db2.gz RWIPXIZAZNKZGW-CRAIPNDOSA-N 0 3 287.403 3.136 20 30 CGEDHN C[C@H](N[C@H]1COc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000271970975 378533138 /nfs/dbraw/zinc/53/31/38/378533138.db2.gz ULFDCVWLESTRSO-BLLLJJGKSA-N 0 3 296.345 3.352 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000346963964 378698147 /nfs/dbraw/zinc/69/81/47/378698147.db2.gz AXPULMQPUYZJRN-GOSISDBHSA-N 0 3 277.371 3.485 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(Br)cc1 ZINC000272494394 378649546 /nfs/dbraw/zinc/64/95/46/378649546.db2.gz SOLSKOXLCIPXKK-LLVKDONJSA-N 0 3 284.197 3.302 20 30 CGEDHN C=CCCCN(C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000346965630 378700134 /nfs/dbraw/zinc/70/01/34/378700134.db2.gz QXYWWOZDJNHQFE-MRXNPFEDSA-N 0 3 290.382 3.219 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CC2)C12CCCCC2 ZINC000348157194 378815454 /nfs/dbraw/zinc/81/54/54/378815454.db2.gz FFESZBHYIFBAQN-ZIAGYGMSSA-N 0 3 262.397 3.008 20 30 CGEDHN CC(C)(CCC#N)CN[C@H](c1ccccc1)c1cncnc1 ZINC000348214069 378842381 /nfs/dbraw/zinc/84/23/81/378842381.db2.gz KDMNDZJULYZDRU-QGZVFWFLSA-N 0 3 294.402 3.486 20 30 CGEDHN CC[C@H](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348298435 378892921 /nfs/dbraw/zinc/89/29/21/378892921.db2.gz QFURKULINDVKCG-JJRVBVJISA-N 0 3 297.402 3.181 20 30 CGEDHN C=C(C)CCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000274804653 378898776 /nfs/dbraw/zinc/89/87/76/378898776.db2.gz GGLMTASQUVFSTI-CQSZACIVSA-N 0 3 255.308 3.208 20 30 CGEDHN C=CCN(CCCc1nc(C)no1)Cc1cccs1 ZINC000348271987 378878130 /nfs/dbraw/zinc/87/81/30/378878130.db2.gz AWLQCUHAHGRSSP-UHFFFAOYSA-N 0 3 277.393 3.060 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCCCO1 ZINC000275112833 378938616 /nfs/dbraw/zinc/93/86/16/378938616.db2.gz WQOKJXDQKOOQRI-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCN1CCC(Nc2ncnc3ccc(C)cc32)CC1 ZINC000266327741 190249312 /nfs/dbraw/zinc/24/93/12/190249312.db2.gz GJHZEFHYBNYLDP-UHFFFAOYSA-N 0 3 282.391 3.001 20 30 CGEDHN C[C@@H](CO)N(Cc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000347177994 218146126 /nfs/dbraw/zinc/14/61/26/218146126.db2.gz XRGXEHBLIHFDMK-LBPRGKRZSA-N 0 3 292.810 3.337 20 30 CGEDHN C[C@H](CO)N(Cc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000347177990 218147441 /nfs/dbraw/zinc/14/74/41/218147441.db2.gz XRGXEHBLIHFDMK-GFCCVEGCSA-N 0 3 292.810 3.337 20 30 CGEDHN C=C[C@@H]1CCCCN1[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111898 379036242 /nfs/dbraw/zinc/03/62/42/379036242.db2.gz KQIINMAMSNSBQY-CABCVRRESA-N 0 3 274.412 3.467 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCCC[C@H]1C ZINC000347268701 218174658 /nfs/dbraw/zinc/17/46/58/218174658.db2.gz UPUPURZROIDYHH-CYBMUJFWSA-N 0 3 258.365 3.331 20 30 CGEDHN CC[C@@H](CO)N(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000347350938 218201968 /nfs/dbraw/zinc/20/19/68/218201968.db2.gz QTSOUKAWUQOFQF-IBGZPJMESA-N 0 3 294.398 3.331 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2ccccc2nc1C ZINC000639145936 379070978 /nfs/dbraw/zinc/07/09/78/379070978.db2.gz OGJPHUGYINUQJO-KDOFPFPSSA-N 0 3 297.402 3.009 20 30 CGEDHN CC(C)CN1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000278749573 194137804 /nfs/dbraw/zinc/13/78/04/194137804.db2.gz RRMRQRRTGHKWBJ-UHFFFAOYSA-N 0 3 298.843 3.200 20 30 CGEDHN C=CCn1cc(CN[C@@H](C)[C@@H]2CCC(C)=C(C)C2)nn1 ZINC000639273380 379218442 /nfs/dbraw/zinc/21/84/42/379218442.db2.gz CIKGCSISAYMPSD-LSDHHAIUSA-N 0 3 274.412 3.079 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OCC2CC2)C1 ZINC000349802264 379390014 /nfs/dbraw/zinc/39/00/14/379390014.db2.gz NBRDENONOXXAOZ-GDBMZVCRSA-N 0 3 270.376 3.257 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OCC2CC2)C1 ZINC000349802265 379391917 /nfs/dbraw/zinc/39/19/17/379391917.db2.gz NBRDENONOXXAOZ-GOEBONIOSA-N 0 3 270.376 3.257 20 30 CGEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000349821399 379402213 /nfs/dbraw/zinc/40/22/13/379402213.db2.gz KVROFESWCFIGFZ-HOTGVXAUSA-N 0 3 294.402 3.271 20 30 CGEDHN C[C@@H](O)CCN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000266721554 190276978 /nfs/dbraw/zinc/27/69/78/190276978.db2.gz HPVLSAVMRQPEBF-OAHLLOKOSA-N 0 3 294.398 3.428 20 30 CGEDHN C=CCc1cc(CN(CC=C)C2CC2)cc(OC)c1O ZINC000350270681 379533056 /nfs/dbraw/zinc/53/30/56/379533056.db2.gz TVZRBJAWAJORRZ-UHFFFAOYSA-N 0 3 273.376 3.280 20 30 CGEDHN C=CCN(Cc1cccc2ncccc12)[C@H](C)COC ZINC000639785574 379584159 /nfs/dbraw/zinc/58/41/59/379584159.db2.gz YVGXNABUOBDYKW-CQSZACIVSA-N 0 3 270.376 3.258 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790716 379586377 /nfs/dbraw/zinc/58/63/77/379586377.db2.gz DWVFAINOXODAEQ-HOCLYGCPSA-N 0 3 279.387 3.221 20 30 CGEDHN C=C(C)CCN[C@@H](C)c1ccc(Br)cn1 ZINC000280241884 379651879 /nfs/dbraw/zinc/65/18/79/379651879.db2.gz AYAOOQFBWMHYBO-JTQLQIEISA-N 0 3 269.186 3.461 20 30 CGEDHN C=C(CC)CN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639918996 379642666 /nfs/dbraw/zinc/64/26/66/379642666.db2.gz PZKOXLONMWSVNM-CYBMUJFWSA-N 0 3 273.298 3.295 20 30 CGEDHN C=C(C)CCN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639917483 379643129 /nfs/dbraw/zinc/64/31/29/379643129.db2.gz GPPJNIMTPADFFO-CYBMUJFWSA-N 0 3 273.298 3.295 20 30 CGEDHN C=CCC1(NCC(=O)c2ccccc2F)CCCC1 ZINC000639829094 379604636 /nfs/dbraw/zinc/60/46/36/379604636.db2.gz XQLNFLSPTFWEPC-UHFFFAOYSA-N 0 3 261.340 3.487 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000267152831 190307248 /nfs/dbraw/zinc/30/72/48/190307248.db2.gz CSOPPOFPCXIISF-BBRMVZONSA-N 0 3 268.385 3.341 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccccc1SC ZINC000280582968 379739235 /nfs/dbraw/zinc/73/92/35/379739235.db2.gz WERVFRXFVORFNJ-CQSZACIVSA-N 0 3 265.422 3.167 20 30 CGEDHN C=C(C)CCN[C@@H](CCO)c1ccccc1Br ZINC000351755866 379741494 /nfs/dbraw/zinc/74/14/94/379741494.db2.gz JSEHZTMTTYDHAG-AWEZNQCLSA-N 0 3 298.224 3.428 20 30 CGEDHN N#Cc1ccc(CNCCCc2ccccc2F)o1 ZINC000280418658 379702531 /nfs/dbraw/zinc/70/25/31/379702531.db2.gz YZPXKIVSYWTQMO-UHFFFAOYSA-N 0 3 258.296 3.013 20 30 CGEDHN C=CCCC[C@H](C)n1cc(CNC2CCCC2)nn1 ZINC000641235180 379971446 /nfs/dbraw/zinc/97/14/46/379971446.db2.gz ZLCLHMWIYABTKF-ZDUSSCGKSA-N 0 3 262.401 3.228 20 30 CGEDHN C[C@H]1CCC[C@H](CCNCc2nc(C#N)cs2)C1 ZINC000352812596 379976978 /nfs/dbraw/zinc/97/69/78/379976978.db2.gz ZVDNFCWCKQCSBS-NWDGAFQWSA-N 0 3 263.410 3.321 20 30 CGEDHN N#CCCC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000399463123 379941361 /nfs/dbraw/zinc/94/13/61/379941361.db2.gz QFUDWVFRQQCSPO-UHFFFAOYSA-N 0 3 267.376 3.268 20 30 CGEDHN N#Cc1csc(CNC[C@@H]2CCCc3ccccc32)n1 ZINC000352843122 379998939 /nfs/dbraw/zinc/99/89/39/379998939.db2.gz XRNGXKFILRXBPA-ZDUSSCGKSA-N 0 3 283.400 3.224 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cccc(C#N)c1F ZINC000352884952 380019130 /nfs/dbraw/zinc/01/91/30/380019130.db2.gz BXJUKZBSPOXVON-ZDUSSCGKSA-N 0 3 298.361 3.466 20 30 CGEDHN C[C@H](N[C@H]1CSC1(C)C)c1ccc(C#N)c(F)c1 ZINC000283468832 380065633 /nfs/dbraw/zinc/06/56/33/380065633.db2.gz WCXHSBJPBQTONR-ZANVPECISA-N 0 3 264.369 3.242 20 30 CGEDHN COC(=O)[C@H](C)CN(CCC1(C#N)CCCCC1)C1CC1 ZINC000411216652 380136368 /nfs/dbraw/zinc/13/63/68/380136368.db2.gz KBEOKGBUWCMSSH-CQSZACIVSA-N 0 3 292.423 3.124 20 30 CGEDHN N#CC1(CCN(CCO)Cc2ccccc2)CCCCC1 ZINC000411231530 380137346 /nfs/dbraw/zinc/13/73/46/380137346.db2.gz YDTPOWSSQOYSAX-UHFFFAOYSA-N 0 3 286.419 3.345 20 30 CGEDHN N#CC1(CCN[C@H](CO)c2ccccc2)CCCCC1 ZINC000411466545 380146377 /nfs/dbraw/zinc/14/63/77/380146377.db2.gz ZWNOROVQLWYSCO-MRXNPFEDSA-N 0 3 272.392 3.174 20 30 CGEDHN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)[C@@H]2CCC[C@H]21 ZINC000354581526 380493196 /nfs/dbraw/zinc/49/31/96/380493196.db2.gz QAHLYMVSXDKENM-HZPDHXFCSA-N 0 3 294.402 3.216 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000644785806 380511045 /nfs/dbraw/zinc/51/10/45/380511045.db2.gz CJOUQEGLDNIYNG-HUBLWGQQSA-N 0 3 263.406 3.142 20 30 CGEDHN C=CC[C@H](CC)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416227584 380526684 /nfs/dbraw/zinc/52/66/84/380526684.db2.gz QAANSYVMOQQNRI-HOTGVXAUSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CCOCCN(Cc1ccc(CC)cc1)C1CC1 ZINC000645076373 380573069 /nfs/dbraw/zinc/57/30/69/380573069.db2.gz IWNUAJJLOBWYOH-UHFFFAOYSA-N 0 3 259.393 3.416 20 30 CGEDHN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)CC(C)C ZINC000417358407 380607337 /nfs/dbraw/zinc/60/73/37/380607337.db2.gz HUTIDUPBPPLKOL-DOTOQJQBSA-N 0 3 272.392 3.196 20 30 CGEDHN C=C(C)CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418242304 380715087 /nfs/dbraw/zinc/71/50/87/380715087.db2.gz LRNTVIULDVGFGF-QGZVFWFLSA-N 0 3 297.402 3.105 20 30 CGEDHN C=CCC1(CN[C@H](C(N)=O)c2ccc(F)cc2)CCCC1 ZINC000419250381 380788720 /nfs/dbraw/zinc/78/87/20/380788720.db2.gz FGEVVTXIUGWOFY-HNNXBMFYSA-N 0 3 290.382 3.078 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419368992 380817941 /nfs/dbraw/zinc/81/79/41/380817941.db2.gz GPUBZGYARODQKH-XQQFMLRXSA-N 0 3 258.365 3.043 20 30 CGEDHN CC(C)(NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000357219141 381072197 /nfs/dbraw/zinc/07/21/97/381072197.db2.gz YEJBHYBUUCTVPB-UHFFFAOYSA-N 0 3 293.370 3.022 20 30 CGEDHN N#Cc1csc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000357379310 381136040 /nfs/dbraw/zinc/13/60/40/381136040.db2.gz YDPLIQLJJUBHRY-RDJZCZTQSA-N 0 3 298.411 3.487 20 30 CGEDHN C[C@H]1C[C@H](Nc2cccnc2C#N)CN1Cc1ccccc1 ZINC000357533057 381199153 /nfs/dbraw/zinc/19/91/53/381199153.db2.gz PKYVOFYHWBCELL-HOCLYGCPSA-N 0 3 292.386 3.028 20 30 CGEDHN C[C@@H]1[C@@H](C)CCCN1Cc1cn2ccccc2c1C#N ZINC000357716876 381264098 /nfs/dbraw/zinc/26/40/98/381264098.db2.gz PEMKIXRWZYSIHH-UONOGXRCSA-N 0 3 267.376 3.431 20 30 CGEDHN CC(C#N)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000357824654 381282937 /nfs/dbraw/zinc/28/29/37/381282937.db2.gz KWIDCXRXXASSFJ-ZDUSSCGKSA-N 0 3 280.327 3.255 20 30 CGEDHN C=C(CC)CN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000358621605 381319507 /nfs/dbraw/zinc/31/95/07/381319507.db2.gz XUOZKFNSLOCBBU-AWEZNQCLSA-N 0 3 262.401 3.005 20 30 CGEDHN C=CCC[C@H](O)CN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000359653525 381360186 /nfs/dbraw/zinc/36/01/86/381360186.db2.gz WNADTLAQSJVPNG-LZWOXQAQSA-N 0 3 289.419 3.330 20 30 CGEDHN CCCCCCCN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000740877414 572465257 /nfs/dbraw/zinc/46/52/57/572465257.db2.gz MKBFVADKAONZSE-GFCCVEGCSA-N 0 3 294.361 3.052 20 30 CGEDHN COC1(CN(C)Cc2ccc(C#N)cc2)CCCCC1 ZINC000361507983 381780649 /nfs/dbraw/zinc/78/06/49/381780649.db2.gz HUCHLZXVLBXXER-UHFFFAOYSA-N 0 3 272.392 3.339 20 30 CGEDHN C=CCN(CCOC)Cc1cc(C)c2ncccc2c1 ZINC000361637825 381848683 /nfs/dbraw/zinc/84/86/83/381848683.db2.gz KZKPLLOJLHBUMA-UHFFFAOYSA-N 0 3 270.376 3.178 20 30 CGEDHN N#CC1(c2ccccn2)CCN(CCc2ccccc2)CC1 ZINC000367258028 382341045 /nfs/dbraw/zinc/34/10/45/382341045.db2.gz ALJRHIDYVOEEIX-UHFFFAOYSA-N 0 3 291.398 3.181 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCN1CCCCC1 ZINC000365739530 382293882 /nfs/dbraw/zinc/29/38/82/382293882.db2.gz PHNHJYCMZVRZPO-RTBURBONSA-N 0 3 297.446 3.244 20 30 CGEDHN COc1cccc2c1OCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000365819591 382296093 /nfs/dbraw/zinc/29/60/93/382296093.db2.gz JLNSNPALNRXCJT-IPYPFGDCSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCC[C@@H](CC)N[C@H]1CCCc2cn(CCOC)nc21 ZINC000368188061 382368600 /nfs/dbraw/zinc/36/86/00/382368600.db2.gz KPVNONPIXWRMQP-CVEARBPZSA-N 0 3 291.439 3.241 20 30 CGEDHN COc1ccccc1[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000347108122 532981555 /nfs/dbraw/zinc/98/15/55/532981555.db2.gz OBXXMCSXZGWNEN-DYVFJYSZSA-N 0 3 294.354 3.060 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000347072326 533107248 /nfs/dbraw/zinc/10/72/48/533107248.db2.gz PYFHYNDSOGBEMX-UWVGGRQHSA-N 0 3 284.281 3.384 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000336442979 533109985 /nfs/dbraw/zinc/10/99/85/533109985.db2.gz SHZZWFHODKWQBB-QWHCGFSZSA-N 0 3 274.339 3.081 20 30 CGEDHN CCC[C@]1(CO)CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000288784369 197165324 /nfs/dbraw/zinc/16/53/24/197165324.db2.gz KQTDAXATUUROJO-YOEHRIQHSA-N 0 3 272.392 3.104 20 30 CGEDHN N#Cc1ccc(CNCCSCc2ccccc2)o1 ZINC000742366229 572566785 /nfs/dbraw/zinc/56/67/85/572566785.db2.gz PUNMNYUUKXEGOD-UHFFFAOYSA-N 0 3 272.373 3.174 20 30 CGEDHN COc1cc(C#N)ccc1OCCN(C)Cc1ccccc1 ZINC000077247050 533503469 /nfs/dbraw/zinc/50/34/69/533503469.db2.gz XBUDRNQNXGZSIF-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CCS[C@@H]1C ZINC000385953704 542603417 /nfs/dbraw/zinc/60/34/17/542603417.db2.gz AGFFHOMUFMJDEG-TZMCWYRMSA-N 0 3 263.406 3.235 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCS[C@H](C)CC1 ZINC000192178089 130388983 /nfs/dbraw/zinc/38/89/83/130388983.db2.gz WAERLXNZCXFCJG-OLZOCXBDSA-N 0 3 260.406 3.447 20 30 CGEDHN Cc1ccccc1CN(C)CCOc1cccc(C#N)c1 ZINC000048331271 391996878 /nfs/dbraw/zinc/99/68/78/391996878.db2.gz LXVOODUKPDRGGE-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN Cc1cc(C)c(C#N)c(NC[C@@H](C)N2CCC[C@H](C)C2)n1 ZINC000071954257 392194103 /nfs/dbraw/zinc/19/41/03/392194103.db2.gz SODNIZFTNKIYFR-SWLSCSKDSA-N 0 3 286.423 3.102 20 30 CGEDHN CC(C)CN(Cc1cn2ccccc2c1C#N)C1CC1 ZINC000073605648 392213362 /nfs/dbraw/zinc/21/33/62/392213362.db2.gz RYMRYUQCPOJNCQ-UHFFFAOYSA-N 0 3 267.376 3.431 20 30 CGEDHN C=CC[C@H](CC)NC(=O)Nc1ccccc1CCN(C)C ZINC000281936913 392259093 /nfs/dbraw/zinc/25/90/93/392259093.db2.gz LBVBBXHIETXHSY-HNNXBMFYSA-N 0 3 289.423 3.267 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CCC(C)C ZINC000361261057 392269773 /nfs/dbraw/zinc/26/97/73/392269773.db2.gz DAXKKABMJKVVNI-SFHVURJKSA-N 0 3 286.419 3.343 20 30 CGEDHN CCCO[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000108393344 392342064 /nfs/dbraw/zinc/34/20/64/392342064.db2.gz XRVQMZHKMDBUIS-QGZVFWFLSA-N 0 3 272.392 3.339 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](NCc2ccccc2C#N)C1(C)C ZINC000361902335 392359357 /nfs/dbraw/zinc/35/93/57/392359357.db2.gz VPICTZOXKLJZAN-CVEARBPZSA-N 0 3 272.392 3.240 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(N(CC)CC)nc2)cc1 ZINC000289058606 392413362 /nfs/dbraw/zinc/41/33/62/392413362.db2.gz BUFYAKKJZXFPDS-UHFFFAOYSA-N 0 3 293.414 3.199 20 30 CGEDHN C=CCCCCCCNCc1cnc(C2OCCO2)s1 ZINC000289712040 392429562 /nfs/dbraw/zinc/42/95/62/392429562.db2.gz GTDUBAJGGCUWER-UHFFFAOYSA-N 0 3 296.436 3.415 20 30 CGEDHN C=CCCOCCN[C@H](C)c1nccc2ccccc21 ZINC000290631070 392453008 /nfs/dbraw/zinc/45/30/08/392453008.db2.gz IZWSRKDGXYPVTM-CQSZACIVSA-N 0 3 270.376 3.478 20 30 CGEDHN CC/C=C/CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367056852 392463887 /nfs/dbraw/zinc/46/38/87/392463887.db2.gz CMYOVKDBNJOTPB-ONEGZZNKSA-N 0 3 269.392 3.295 20 30 CGEDHN COCCCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362105760 392406388 /nfs/dbraw/zinc/40/63/88/392406388.db2.gz JCVNKFGBZRDEAV-UHFFFAOYSA-N 0 3 284.403 3.464 20 30 CGEDHN N#Cc1ccc(CN2CCC(C3CCOCC3)CC2)cc1 ZINC000153598069 392521964 /nfs/dbraw/zinc/52/19/64/392521964.db2.gz CRIAOXUWKZWOBX-UHFFFAOYSA-N 0 3 284.403 3.197 20 30 CGEDHN CC#CCCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000155174707 392540014 /nfs/dbraw/zinc/54/00/14/392540014.db2.gz GVKGUZDOXVHXMR-UHFFFAOYSA-N 0 3 269.388 3.303 20 30 CGEDHN C=CCN1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000301382631 392588657 /nfs/dbraw/zinc/58/86/57/392588657.db2.gz ASJIPXCTKVDQON-UHFFFAOYSA-N 0 3 275.783 3.274 20 30 CGEDHN C#CCN(Cc1cc[nH]c1)[C@@H]1CCc2ccccc21 ZINC000179204483 392690476 /nfs/dbraw/zinc/69/04/76/392690476.db2.gz IBKDPPNTADOBAK-QGZVFWFLSA-N 0 3 250.345 3.137 20 30 CGEDHN N#Cc1c(F)cccc1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000509589038 392761220 /nfs/dbraw/zinc/76/12/20/392761220.db2.gz SJYIWYCZLJMRTE-OAHLLOKOSA-N 0 3 299.393 3.176 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000334319937 392719371 /nfs/dbraw/zinc/71/93/71/392719371.db2.gz VCQCGELUSQVODH-APPZFPTMSA-N 0 3 268.769 3.055 20 30 CGEDHN C=CCN(C(=O)[C@H](CC)N(CC)CC)c1ccccc1 ZINC000647741898 392791837 /nfs/dbraw/zinc/79/18/37/392791837.db2.gz OPSRQLUCEJKNJO-INIZCTEOSA-N 0 3 274.408 3.326 20 30 CGEDHN Cc1ccccc1[C@H]1C[C@H](NCc2ccc(C#N)o2)C1 ZINC000375995939 392851245 /nfs/dbraw/zinc/85/12/45/392851245.db2.gz VKDIKTNOMUZOQR-HDJSIYSDSA-N 0 3 266.344 3.496 20 30 CGEDHN C[C@H](N[C@@H](C)c1cccs1)C(=O)Nc1cccc(C#N)c1 ZINC000192677085 392856987 /nfs/dbraw/zinc/85/69/87/392856987.db2.gz NVLHQBRHSTUWHS-RYUDHWBXSA-N 0 3 299.399 3.298 20 30 CGEDHN C=CCOCCN(C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000338937509 392935961 /nfs/dbraw/zinc/93/59/61/392935961.db2.gz XLPAUJVQNHRXKH-QGZVFWFLSA-N 0 3 275.392 3.207 20 30 CGEDHN C=CCN(C)Cc1ccc(C)cc1-c1ccnn1C ZINC000338933701 392936196 /nfs/dbraw/zinc/93/61/96/392936196.db2.gz MCMJPLRKHYPYGX-UHFFFAOYSA-N 0 3 255.365 3.013 20 30 CGEDHN C=CCOCCN1CCc2sccc2[C@@H]1CC ZINC000338914380 392936300 /nfs/dbraw/zinc/93/63/00/392936300.db2.gz XUYFLGBLMCOEQZ-ZDUSSCGKSA-N 0 3 251.395 3.260 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000339064356 392944921 /nfs/dbraw/zinc/94/49/21/392944921.db2.gz XDTJHWPDIOLVPE-GMXVVIOVSA-N 0 3 262.328 3.177 20 30 CGEDHN C=CCOCCN(C)CCc1ccc(Cl)cc1 ZINC000338996930 392940214 /nfs/dbraw/zinc/94/02/14/392940214.db2.gz LIEAQGKTMJOUIU-UHFFFAOYSA-N 0 3 253.773 3.017 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000339090986 392947383 /nfs/dbraw/zinc/94/73/83/392947383.db2.gz KVLORSVQGFZGIR-QGPMSJSTSA-N 0 3 282.387 3.200 20 30 CGEDHN CC1(C)CCC(O)(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000404084231 392962269 /nfs/dbraw/zinc/96/22/69/392962269.db2.gz UBMUELZVVGSLBW-UHFFFAOYSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@H](CCC#N)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000411677763 392984871 /nfs/dbraw/zinc/98/48/71/392984871.db2.gz RYBACEPDOCFRPL-AIANPOQGSA-N 0 3 276.424 3.348 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000411743113 392986742 /nfs/dbraw/zinc/98/67/42/392986742.db2.gz FPHXRJZSPWNIDA-WMLDXEAASA-N 0 3 270.376 3.148 20 30 CGEDHN C=CC[C@H](C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412138618 392997048 /nfs/dbraw/zinc/99/70/48/392997048.db2.gz SRQVWIJSCDPMNG-HNNXBMFYSA-N 0 3 286.419 3.367 20 30 CGEDHN CN(Cc1ccc(CC#N)cc1)Cc1cccc(C#N)c1 ZINC000342692700 393005287 /nfs/dbraw/zinc/00/52/87/393005287.db2.gz KWOGNWGXFLTIRM-UHFFFAOYSA-N 0 3 275.355 3.256 20 30 CGEDHN COc1ccc(CN2CC[C@@H](C)C(C)(C)C2)cc1C#N ZINC000546125480 393034452 /nfs/dbraw/zinc/03/44/52/393034452.db2.gz JWILHOMAFXOHLW-CYBMUJFWSA-N 0 3 272.392 3.435 20 30 CGEDHN C=C(C)CN(CC[C@@H]1CCOC1)Cc1cnn(C(C)C)c1 ZINC000348873113 393134911 /nfs/dbraw/zinc/13/49/11/393134911.db2.gz DUCQUBAKMCDFNW-MRXNPFEDSA-N 0 3 291.439 3.269 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1c2ccccc2oc1CC ZINC000649222730 393375102 /nfs/dbraw/zinc/37/51/02/393375102.db2.gz IHPAJKSDNOGOAT-HNNXBMFYSA-N 0 3 273.376 3.364 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC000427580148 393457858 /nfs/dbraw/zinc/45/78/58/393457858.db2.gz NUEJLHAEFITKAP-LLVKDONJSA-N 0 3 292.329 3.052 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000359533377 393550424 /nfs/dbraw/zinc/55/04/24/393550424.db2.gz AFCSEOLWRUYEAR-KKUMJFAQSA-N 0 3 292.423 3.427 20 30 CGEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000613255462 542776264 /nfs/dbraw/zinc/77/62/64/542776264.db2.gz FKZMSSMKPYUXKD-ZFWWWQNUSA-N 0 3 258.365 3.176 20 30 CGEDHN Cc1ccccc1[C@H]([C@H](C)NCc1ccc(C#N)o1)N(C)C ZINC000443008758 393740276 /nfs/dbraw/zinc/74/02/76/393740276.db2.gz HDWCJMLLROSHLG-KSSFIOAISA-N 0 3 297.402 3.241 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)C[C@@H](C)C1 ZINC000443662057 393770738 /nfs/dbraw/zinc/77/07/38/393770738.db2.gz ULZOXDRDJXRGCU-UONOGXRCSA-N 0 3 272.392 3.435 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)OC ZINC000453287345 394222572 /nfs/dbraw/zinc/22/25/72/394222572.db2.gz KWQUJUFPAHAMLY-AFAVFJNCSA-N 0 3 272.392 3.196 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)ccn1 ZINC000671278992 543166293 /nfs/dbraw/zinc/16/62/93/543166293.db2.gz SJZBYMKWIJCKQE-OAHLLOKOSA-N 0 3 287.322 3.428 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000338566086 397683770 /nfs/dbraw/zinc/68/37/70/397683770.db2.gz QDXGDHXICNMMPG-HNNXBMFYSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCOCCNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000649886878 397743295 /nfs/dbraw/zinc/74/32/95/397743295.db2.gz SUQNTZMCCRWSML-UHFFFAOYSA-N 0 3 285.309 3.487 20 30 CGEDHN C=CCCCCCN(C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000675201193 543321275 /nfs/dbraw/zinc/32/12/75/543321275.db2.gz ZZYBMXUNFLTGAC-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN CC[C@@H]1CN(CC#CCOC)CC[C@H]1c1ccccc1 ZINC000677133036 543435657 /nfs/dbraw/zinc/43/56/57/543435657.db2.gz DUBYOPKPXQPKNZ-SJLPKXTDSA-N 0 3 271.404 3.152 20 30 CGEDHN Clc1ccc(C#CCN2CCC3(CCOC3)CC2)cc1 ZINC000677719270 543459430 /nfs/dbraw/zinc/45/94/30/543459430.db2.gz PELQPUAWQXRCBW-UHFFFAOYSA-N 0 3 289.806 3.194 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000678743674 543552414 /nfs/dbraw/zinc/55/24/14/543552414.db2.gz GWLCAEFVJPFJOE-HIFRSBDPSA-N 0 3 293.407 3.070 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000678791050 543559398 /nfs/dbraw/zinc/55/93/98/543559398.db2.gz JUQOWWPWBAGUQY-HUUCEWRRSA-N 0 3 267.376 3.325 20 30 CGEDHN CCC#C[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000678895968 543569433 /nfs/dbraw/zinc/56/94/33/543569433.db2.gz XBDBCNXRWOCLBO-UGSOOPFHSA-N 0 3 285.387 3.300 20 30 CGEDHN CC[C@@H](N[C@@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283514950 286926622 /nfs/dbraw/zinc/92/66/22/286926622.db2.gz ZWCYAAPCJFFVLI-ZIAGYGMSSA-N 0 3 260.406 3.493 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccc(Cl)cc2)cc1 ZINC000070786970 286990560 /nfs/dbraw/zinc/99/05/60/286990560.db2.gz OSBWIALMCVLNNV-UHFFFAOYSA-N 0 3 286.762 3.380 20 30 CGEDHN N#Cc1ccc(N2CCN(CCCC3CCCC3)CC2)nc1 ZINC000088499046 165196324 /nfs/dbraw/zinc/19/63/24/165196324.db2.gz XQOPMBLEECQFAA-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN COC[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090997613 165251425 /nfs/dbraw/zinc/25/14/25/165251425.db2.gz BFIRBNFRBROICC-AWEZNQCLSA-N 0 3 280.371 3.350 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000007379297 170281341 /nfs/dbraw/zinc/28/13/41/170281341.db2.gz MINJWYRQLDDQJK-UONOGXRCSA-N 0 3 293.370 3.236 20 30 CGEDHN COc1cccc([C@@H](CNc2ccc(C#N)cc2)N(C)C)c1 ZINC000020261962 171119661 /nfs/dbraw/zinc/11/96/61/171119661.db2.gz XNNYZFYVOPYDIV-GOSISDBHSA-N 0 3 295.386 3.282 20 30 CGEDHN C[C@H](Cc1cccs1)NCC#Cc1ccccc1 ZINC000071269887 176103508 /nfs/dbraw/zinc/10/35/08/176103508.db2.gz HBMVNQLKELESJU-CQSZACIVSA-N 0 3 255.386 3.320 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccccc1OC1CCCC1 ZINC000680484943 543714530 /nfs/dbraw/zinc/71/45/30/543714530.db2.gz RXDUZTJANHPZKO-HNNXBMFYSA-N 0 3 275.392 3.035 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(c2cccc(F)c2F)CC1 ZINC000681168423 543772317 /nfs/dbraw/zinc/77/23/17/543772317.db2.gz FUGJXQCCSVUDHE-HNNXBMFYSA-N 0 3 281.346 3.081 20 30 CGEDHN C=CCCN(C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000682436468 543846222 /nfs/dbraw/zinc/84/62/22/543846222.db2.gz MHAMOVCEIGZERO-LBPRGKRZSA-N 0 3 261.365 3.027 20 30 CGEDHN N#CC1(CN(Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000347122884 226033769 /nfs/dbraw/zinc/03/37/69/226033769.db2.gz HTFKHEROCSKJDX-UHFFFAOYSA-N 0 3 288.366 3.110 20 30 CGEDHN Cc1ccccc1[C@H](CC(C)C)NC(=O)C(C)C#N ZINC000347108022 226053229 /nfs/dbraw/zinc/05/32/29/226053229.db2.gz NSATYGFZZLEQOU-HIFRSBDPSA-N 0 3 258.365 3.358 20 30 CGEDHN Cc1cccc([C@@H]2CCCN2C(=O)C(C)C#N)c1C ZINC000336577783 227130716 /nfs/dbraw/zinc/13/07/16/227130716.db2.gz ZKMNWEOCYVIBCU-WFASDCNBSA-N 0 3 256.349 3.127 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000659329878 418976662 /nfs/dbraw/zinc/97/66/62/418976662.db2.gz SICCBBPXLLZLGW-SUMWQHHRSA-N 0 3 284.403 3.155 20 30 CGEDHN CC(C)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000659115419 418959897 /nfs/dbraw/zinc/95/98/97/418959897.db2.gz YKOKKQCQMVDVGH-CQSZACIVSA-N 0 3 265.316 3.090 20 30 CGEDHN C=C(C)CCNCc1cn(-c2ccccc2F)nc1C ZINC000655778463 419096280 /nfs/dbraw/zinc/09/62/80/419096280.db2.gz MGWUNLLJNZJWMH-UHFFFAOYSA-N 0 3 273.355 3.376 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)C2CCC(F)(F)CC2)nn1 ZINC000653873658 419100233 /nfs/dbraw/zinc/10/02/33/419100233.db2.gz UMMOMYRSUOFKTH-LBPRGKRZSA-N 0 3 298.381 3.158 20 30 CGEDHN C=CCCn1cc(CNC[C@@H](C)C2CCCCC2)nn1 ZINC000657332834 419252428 /nfs/dbraw/zinc/25/24/28/419252428.db2.gz QVWZSOGOTNVAKT-CQSZACIVSA-N 0 3 276.428 3.160 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](c1ccccc1F)C(C)C ZINC000661484541 419264166 /nfs/dbraw/zinc/26/41/66/419264166.db2.gz LQXDMRXRDGWXBP-LSDHHAIUSA-N 0 3 251.345 3.049 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C)n1C1CC1 ZINC000661114698 419231144 /nfs/dbraw/zinc/23/11/44/419231144.db2.gz KBPWHGJYYNHJRB-ZFWWWQNUSA-N 0 3 274.412 3.146 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(N)c2ccccc2n1 ZINC000661117582 419231951 /nfs/dbraw/zinc/23/19/51/419231951.db2.gz SFXRZOYIBGZCQG-DZGCQCFKSA-N 0 3 296.418 3.437 20 30 CGEDHN N#CC[C@@H]1CCCN(CCCC(=O)c2ccccc2)C1 ZINC000661151561 419235172 /nfs/dbraw/zinc/23/51/72/419235172.db2.gz DBTSEXLCMFADJL-HNNXBMFYSA-N 0 3 270.376 3.275 20 30 CGEDHN C=CCCOCCNCc1cc2c(cccc2C)[nH]1 ZINC000657419112 419274251 /nfs/dbraw/zinc/27/42/51/419274251.db2.gz OUPUKMVVMJIETO-UHFFFAOYSA-N 0 3 258.365 3.159 20 30 CGEDHN C=CCCNCc1cc(Br)c(OC)s1 ZINC000657582860 419309451 /nfs/dbraw/zinc/30/94/51/419309451.db2.gz JUZZUAFFSVXVHF-UHFFFAOYSA-N 0 3 276.199 3.185 20 30 CGEDHN CC(C#N)C(=O)NCCCCc1ccc(Cl)s1 ZINC000356033047 228094261 /nfs/dbraw/zinc/09/42/61/228094261.db2.gz DUVVEJCHHRMKQE-SECBINFHSA-N 0 3 270.785 3.000 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000662082701 419333879 /nfs/dbraw/zinc/33/38/79/419333879.db2.gz XEFYXRVIORSVRR-HRCADAONSA-N 0 3 278.440 3.203 20 30 CGEDHN C=CCCC(C)(C)NCc1cn2cccc(F)c2n1 ZINC000657804891 419361927 /nfs/dbraw/zinc/36/19/27/419361927.db2.gz GFYPUDWGPKGOIR-UHFFFAOYSA-N 0 3 261.344 3.308 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658030178 419505242 /nfs/dbraw/zinc/50/52/42/419505242.db2.gz PFJSRYMRQIVHBI-NDMJEZRESA-N 0 3 268.307 3.013 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1ccc(OC)cc1F ZINC000658210684 419660993 /nfs/dbraw/zinc/66/09/93/419660993.db2.gz VDVVKFLLEAIMSJ-LBPRGKRZSA-N 0 3 267.344 3.078 20 30 CGEDHN C=CCOc1ccccc1CNCC(C)(C)COCC ZINC000313583665 260303248 /nfs/dbraw/zinc/30/32/48/260303248.db2.gz XZUXMFRHSTYMPS-UHFFFAOYSA-N 0 3 277.408 3.404 20 30 CGEDHN Clc1ccc(C#CCN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000464899052 261248270 /nfs/dbraw/zinc/24/82/70/261248270.db2.gz SAXLZHRDXJBVMV-GASCZTMLSA-N 0 3 259.780 3.423 20 30 CGEDHN C=CCN1CCC(NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC000176622572 261300070 /nfs/dbraw/zinc/30/00/70/261300070.db2.gz HDUIGHFFCFNMIN-SNAWJCMRSA-N 0 3 298.430 3.165 20 30 CGEDHN C#C[C@H](N[C@H](C)C1CCOCC1)c1ccc(Cl)cc1 ZINC000491232135 261382494 /nfs/dbraw/zinc/38/24/94/261382494.db2.gz YNWDVLRSVGEQPL-WBMJQRKESA-N 0 3 277.795 3.419 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN[C@@H](CO)c1ccccc1 ZINC000182909708 261955199 /nfs/dbraw/zinc/95/51/99/261955199.db2.gz BFKBKANAJVLEHT-SFHVURJKSA-N 0 3 294.398 3.311 20 30 CGEDHN COc1c(Br)cccc1CNCCCCC#N ZINC000187202145 262127967 /nfs/dbraw/zinc/12/79/67/262127967.db2.gz PWYWXVDNKXIQSC-UHFFFAOYSA-N 0 3 297.196 3.241 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000192593837 262206333 /nfs/dbraw/zinc/20/63/33/262206333.db2.gz JWWHNDJOQMGUIT-JYJNAYRXSA-N 0 3 287.407 3.088 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000192987385 262213621 /nfs/dbraw/zinc/21/36/21/262213621.db2.gz HYRGRWHNNRWQQM-NJZAAPMLSA-N 0 3 274.339 3.321 20 30 CGEDHN COCC[C@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000365256630 262355636 /nfs/dbraw/zinc/35/56/36/262355636.db2.gz OKOFSMXFYHSSON-GOSISDBHSA-N 0 3 271.404 3.177 20 30 CGEDHN COc1cc(CNC[C@H]2CCCC2(F)F)ccc1C#N ZINC000391013321 262376854 /nfs/dbraw/zinc/37/68/54/262376854.db2.gz MJZHFMCHKUKAKO-CYBMUJFWSA-N 0 3 280.318 3.092 20 30 CGEDHN COc1ccc([C@H](C)NCC(C)(C)CC#N)c(F)c1 ZINC000414160714 262818883 /nfs/dbraw/zinc/81/88/83/262818883.db2.gz DKCVOKFTQGHLIG-NSHDSACASA-N 0 3 264.344 3.425 20 30 CGEDHN CC(C)(C#N)CCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000266025525 262913204 /nfs/dbraw/zinc/91/32/04/262913204.db2.gz QWLRWDNSHOUECO-KRWDZBQOSA-N 0 3 286.419 3.372 20 30 CGEDHN N#CCCCNCc1cc(F)cc(C(F)(F)F)c1 ZINC000273014440 263011009 /nfs/dbraw/zinc/01/10/09/263011009.db2.gz CREGZJFARKIKJR-UHFFFAOYSA-N 0 3 260.234 3.238 20 30 CGEDHN N#CCCCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000273309202 263015235 /nfs/dbraw/zinc/01/52/35/263015235.db2.gz WDDQVLWWLQLWOD-CYBMUJFWSA-N 0 3 264.756 3.447 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000274173402 263021668 /nfs/dbraw/zinc/02/16/68/263021668.db2.gz CIRTUQOTTOPFAL-XQQFMLRXSA-N 0 3 273.336 3.328 20 30 CGEDHN COc1ccc(F)cc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000274663697 263029049 /nfs/dbraw/zinc/02/90/49/263029049.db2.gz WEFWJPZYTSCHHA-GVXVVHGQSA-N 0 3 262.328 3.177 20 30 CGEDHN COc1ccc(-c2ccncc2)cc1CNCCCC#N ZINC000274741276 263029797 /nfs/dbraw/zinc/02/97/97/263029797.db2.gz CQSUQWCZAUKZDF-UHFFFAOYSA-N 0 3 281.359 3.151 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3c2cccc3O)C1 ZINC000278762860 263050590 /nfs/dbraw/zinc/05/05/90/263050590.db2.gz OTZWDXZNYFLAOW-LALPHHSUSA-N 0 3 256.349 3.051 20 30 CGEDHN CCOC(=O)c1oc2c(c1C)[C@H](NCCCC#N)CCC2 ZINC000278760386 263050798 /nfs/dbraw/zinc/05/07/98/263050798.db2.gz OOFNCWISMXVXEL-GFCCVEGCSA-N 0 3 290.363 3.036 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccccc1SC ZINC000280582966 263063095 /nfs/dbraw/zinc/06/30/95/263063095.db2.gz WERVFRXFVORFNJ-AWEZNQCLSA-N 0 3 265.422 3.167 20 30 CGEDHN N#CC1(CCCN(Cc2ccncc2)C2CC2)CCOCC1 ZINC000281898951 263072865 /nfs/dbraw/zinc/07/28/65/263072865.db2.gz FLMPSNJDVWHPBS-UHFFFAOYSA-N 0 3 299.418 3.147 20 30 CGEDHN N#CC1(CCCN(Cc2ccccn2)C2CC2)CCOCC1 ZINC000282122756 263074533 /nfs/dbraw/zinc/07/45/33/263074533.db2.gz XYHALDSEFSYCPR-UHFFFAOYSA-N 0 3 299.418 3.147 20 30 CGEDHN Cc1c(Cl)cccc1N1CCCN(CCCC#N)CC1 ZINC000284765694 263087809 /nfs/dbraw/zinc/08/78/09/263087809.db2.gz MJPSMGUOMOROES-UHFFFAOYSA-N 0 3 291.826 3.464 20 30 CGEDHN COc1ccc([C@H](Cc2ccncc2)NCCCC#N)cc1 ZINC000286356727 263098340 /nfs/dbraw/zinc/09/83/40/263098340.db2.gz ZMUHTFPCVKYMJB-SFHVURJKSA-N 0 3 295.386 3.267 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CCO)c2ccc(Cl)cc2)C1 ZINC000287057601 263100930 /nfs/dbraw/zinc/10/09/30/263100930.db2.gz NFXYARUNSUBXJC-DAXOMENPSA-N 0 3 292.810 3.435 20 30 CGEDHN COC[C@@H](NCCCCC#N)c1cccc(Cl)c1 ZINC000288871517 263106458 /nfs/dbraw/zinc/10/64/58/263106458.db2.gz QLUXNKAXCAWCBQ-CQSZACIVSA-N 0 3 266.772 3.311 20 30 CGEDHN COC[C@H](NCCCCC#N)c1cccc(Cl)c1 ZINC000288871514 263106481 /nfs/dbraw/zinc/10/64/81/263106481.db2.gz QLUXNKAXCAWCBQ-AWEZNQCLSA-N 0 3 266.772 3.311 20 30 CGEDHN C=CC[C@@H](C)NCc1cn2ccc(Br)cc2n1 ZINC000289461328 263110383 /nfs/dbraw/zinc/11/03/83/263110383.db2.gz ICUAINXLMINSTB-SNVBAGLBSA-N 0 3 294.196 3.151 20 30 CGEDHN Cc1cc(CN[C@H]2CCC[C@@H](C#N)C2)cc(N2CCCC2)n1 ZINC000289731376 263111666 /nfs/dbraw/zinc/11/16/66/263111666.db2.gz KCTQVKQUCCOMSK-WBVHZDCISA-N 0 3 298.434 3.162 20 30 CGEDHN CCOc1ccccc1[C@@H](CC)NCCOCCC#N ZINC000293680073 263146674 /nfs/dbraw/zinc/14/66/74/263146674.db2.gz AXYUCBUQKPSDCR-OAHLLOKOSA-N 0 3 276.380 3.056 20 30 CGEDHN Cc1cccc(CC2(O)CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000294179540 263157119 /nfs/dbraw/zinc/15/71/19/263157119.db2.gz QKPKMRXXHKFDSQ-ROUUACIJSA-N 0 3 298.430 3.057 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C1 ZINC000340502728 263176738 /nfs/dbraw/zinc/17/67/38/263176738.db2.gz DINFLADIUPOUAU-MWLCHTKSSA-N 0 3 284.281 3.209 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(OC(F)F)c(F)c2)C1 ZINC000340502729 263176821 /nfs/dbraw/zinc/17/68/21/263176821.db2.gz DINFLADIUPOUAU-ONGXEEELSA-N 0 3 284.281 3.209 20 30 CGEDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000296583780 263193639 /nfs/dbraw/zinc/19/36/39/263193639.db2.gz UNSOWOYNJFEQEO-RDBSUJKOSA-N 0 3 258.365 3.434 20 30 CGEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@H](C)CCC#N ZINC000297921869 263212114 /nfs/dbraw/zinc/21/21/14/263212114.db2.gz QMJOWSYZLNGALA-CYBMUJFWSA-N 0 3 276.380 3.218 20 30 CGEDHN COc1ccc([C@@H](C)N[C@H](C)CCC#N)c(C)c1OC ZINC000298567178 263222437 /nfs/dbraw/zinc/22/24/37/263222437.db2.gz QABJVRIHKOPFRF-DGCLKSJQSA-N 0 3 276.380 3.355 20 30 CGEDHN COc1cc(C)c([C@@H](C)N[C@H](C)CCC#N)cc1OC ZINC000299561591 263247465 /nfs/dbraw/zinc/24/74/65/263247465.db2.gz GUFDTUQQDZRQOY-CHWSQXEVSA-N 0 3 276.380 3.355 20 30 CGEDHN C=CCC[C@@H](NCCn1cnnc1C1CC1)c1ccco1 ZINC000353631798 263280240 /nfs/dbraw/zinc/28/02/40/263280240.db2.gz MZOAMODFDAAQHE-CQSZACIVSA-N 0 3 286.379 3.046 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CC)c1ccccc1 ZINC000341188823 263329009 /nfs/dbraw/zinc/32/90/09/263329009.db2.gz DXHRCEMEHLFANE-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN CO[C@]1(C)CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000280641112 264456154 /nfs/dbraw/zinc/45/61/54/264456154.db2.gz YGBYANHPDGJWON-QGZVFWFLSA-N 0 3 275.367 3.068 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(F)c1F ZINC000280694388 264457663 /nfs/dbraw/zinc/45/76/63/264457663.db2.gz RTXWDHSYZPDSHC-SWLSCSKDSA-N 0 3 267.319 3.036 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cccc3ccccc32)C1=O ZINC000280992387 264470697 /nfs/dbraw/zinc/47/06/97/264470697.db2.gz JEMWEPQKEZYWQJ-KBXCAEBGSA-N 0 3 294.398 3.277 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000320741411 265025932 /nfs/dbraw/zinc/02/59/32/265025932.db2.gz MBYPBYBDQZMMMM-LLVKDONJSA-N 0 3 291.288 3.261 20 30 CGEDHN N#CC1(CCCN2CCC[C@@H]2c2cccnc2)CCOCC1 ZINC000346980336 265123545 /nfs/dbraw/zinc/12/35/45/265123545.db2.gz VMUBEVHSYIYYML-QGZVFWFLSA-N 0 3 299.418 3.319 20 30 CGEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cn1 ZINC000519806572 270098104 /nfs/dbraw/zinc/09/81/04/270098104.db2.gz UIELCVGXXVEPPD-BBRMVZONSA-N 0 3 295.361 3.470 20 30 CGEDHN CC1=C[C@H](C)C[C@H](CN2CCC(F)(C#N)CC2)C1 ZINC000356305267 266093007 /nfs/dbraw/zinc/09/30/07/266093007.db2.gz PXJDONVFLOZKSV-JSGCOSHPSA-N 0 3 250.361 3.306 20 30 CGEDHN CN(C)C1(CNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000397984978 266492608 /nfs/dbraw/zinc/49/26/08/266492608.db2.gz METIZIGWANQFSS-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN C[C@H](NCC[C@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000527923116 270144620 /nfs/dbraw/zinc/14/46/20/270144620.db2.gz BVOBFDSTCYPKOA-QWHCGFSZSA-N 0 3 276.355 3.165 20 30 CGEDHN CC[C@H](C)[C@H](C)N(Cc1ccc(C#N)cn1)C1CC1 ZINC000519759850 267205945 /nfs/dbraw/zinc/20/59/45/267205945.db2.gz PCDYKTNNFJNEFP-STQMWFEESA-N 0 3 257.381 3.352 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc(C#N)cc1 ZINC000430726793 267220245 /nfs/dbraw/zinc/22/02/45/267220245.db2.gz WDGADYLVXXCJAL-HNNXBMFYSA-N 0 3 253.349 3.293 20 30 CGEDHN C=CCCCCCN1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000369319114 267235587 /nfs/dbraw/zinc/23/55/87/267235587.db2.gz KKFRDEOAJVFLFV-JYJNAYRXSA-N 0 3 267.413 3.001 20 30 CGEDHN C=CCC[C@H](NC(=O)CN(CC)CC)c1ccccc1 ZINC000123063367 267984228 /nfs/dbraw/zinc/98/42/28/267984228.db2.gz QUAAFZNRVXACHC-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCSC1 ZINC000494948778 269560142 /nfs/dbraw/zinc/56/01/42/269560142.db2.gz CQDCCRLYTONOIW-INIZCTEOSA-N 0 3 272.417 3.299 20 30 CGEDHN CC1(C)OCC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000449415806 276156365 /nfs/dbraw/zinc/15/63/65/276156365.db2.gz PZXLCXCWAQIYPE-ZDUSSCGKSA-N 0 3 298.308 3.234 20 30 CGEDHN CCN(CC)[C@@H](CNc1ccc(C)c(C#N)n1)c1ccco1 ZINC000302669154 276336896 /nfs/dbraw/zinc/33/68/96/276336896.db2.gz QXIMRTLEXNDSOP-HNNXBMFYSA-N 0 3 298.390 3.350 20 30 CGEDHN C=C(C)[C@@H](NC[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000274874611 277789956 /nfs/dbraw/zinc/78/99/56/277789956.db2.gz LKUKBNHZDWNTKX-IUODEOHRSA-N 0 3 267.319 3.351 20 30 CGEDHN C=C(C)[C@H](NC[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000274874609 277800361 /nfs/dbraw/zinc/80/03/61/277800361.db2.gz LKUKBNHZDWNTKX-DOMZBBRYSA-N 0 3 267.319 3.351 20 30 CGEDHN C[C@H](NCc1ccccc1N(C)C)c1ccc(C#N)cc1 ZINC000263841635 279493013 /nfs/dbraw/zinc/49/30/13/279493013.db2.gz HFQMHOCQYSXOIZ-AWEZNQCLSA-N 0 3 279.387 3.475 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000336615517 279509521 /nfs/dbraw/zinc/50/95/21/279509521.db2.gz YLWCWKLHKCZZAR-YVEFUNNKSA-N 0 3 280.375 3.020 20 30 CGEDHN CS[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC000543412019 288801395 /nfs/dbraw/zinc/80/13/95/288801395.db2.gz AWIGALXCPATMIL-GFCCVEGCSA-N 0 3 268.451 3.487 20 30 CGEDHN CCCCO[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554366087 289275957 /nfs/dbraw/zinc/27/59/57/289275957.db2.gz XFEQHMSSXFRQAN-JKSUJKDBSA-N 0 3 287.407 3.027 20 30 CGEDHN C=C[C@H](CO)N[C@@H](CCC)c1ccc(Cl)cc1 ZINC000353572544 527594794 /nfs/dbraw/zinc/59/47/94/527594794.db2.gz SJVOFABEWCIGJZ-KGLIPLIRSA-N 0 3 253.773 3.318 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCOc3ccccc32)C1 ZINC000349341551 303160698 /nfs/dbraw/zinc/16/06/98/303160698.db2.gz KNCFAWJJWZUYFJ-IPYPFGDCSA-N 0 3 256.349 3.182 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000289853108 327629487 /nfs/dbraw/zinc/62/94/87/327629487.db2.gz QNIFPOZNEHAFAI-PRHODGIISA-N 0 3 260.164 3.191 20 30 CGEDHN C=C(CNCc1ccc(OC)cc1)c1ccccc1 ZINC000110057659 328031389 /nfs/dbraw/zinc/03/13/89/328031389.db2.gz WBRDXLNILOXBKR-UHFFFAOYSA-N 0 3 253.345 3.498 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000274638613 328212265 /nfs/dbraw/zinc/21/22/65/328212265.db2.gz QQIRXGKGONGLJS-QEJZJMRPSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000178067769 329192219 /nfs/dbraw/zinc/19/22/19/329192219.db2.gz UXOIJECRUFONTM-AWEZNQCLSA-N 0 3 287.325 3.464 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000280949679 328237269 /nfs/dbraw/zinc/23/72/69/328237269.db2.gz HIEGFDVWOOTNSX-XKJAGQOOSA-N 0 3 290.407 3.082 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCOc2ccccc21 ZINC000181342190 329231929 /nfs/dbraw/zinc/23/19/29/329231929.db2.gz STHHAYQEHMRHAQ-HNNXBMFYSA-N 0 3 261.365 3.083 20 30 CGEDHN N#CCCOCCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000292934246 328273958 /nfs/dbraw/zinc/27/39/58/328273958.db2.gz ZJJMLYOPWJCQTL-INIZCTEOSA-N 0 3 276.355 3.187 20 30 CGEDHN CCN(Cc1ccc(OC)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293556652 328276555 /nfs/dbraw/zinc/27/65/55/328276555.db2.gz RQNWZLUEEUEKCA-HUUCEWRRSA-N 0 3 258.365 3.209 20 30 CGEDHN CCN(Cc1ccc(OC)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293556655 328276569 /nfs/dbraw/zinc/27/65/69/328276569.db2.gz RQNWZLUEEUEKCA-LSDHHAIUSA-N 0 3 258.365 3.209 20 30 CGEDHN C=CC(C)(C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000295962047 328288531 /nfs/dbraw/zinc/28/85/31/328288531.db2.gz PRQLQJUZWOAFLP-UHFFFAOYSA-N 0 3 271.364 3.262 20 30 CGEDHN C=C(C)CNCc1cc(Cl)c(OC)c(OCC)c1 ZINC000119619846 328307638 /nfs/dbraw/zinc/30/76/38/328307638.db2.gz HHLGUKNDENFXBK-UHFFFAOYSA-N 0 3 269.772 3.413 20 30 CGEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565043467 322056728 /nfs/dbraw/zinc/05/67/28/322056728.db2.gz HLFAKVWNGQOSLJ-FRRDWIJNSA-N 0 3 287.363 3.333 20 30 CGEDHN CC[C@@H](C)[C@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000565539665 322081361 /nfs/dbraw/zinc/08/13/61/322081361.db2.gz HZTOCJKZGHTLOV-CZUORRHYSA-N 0 3 297.406 3.002 20 30 CGEDHN CC1(C)CCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567988790 322186736 /nfs/dbraw/zinc/18/67/36/322186736.db2.gz OLDUSHSQGMWLBP-CQSZACIVSA-N 0 3 273.336 3.135 20 30 CGEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000569464500 322248218 /nfs/dbraw/zinc/24/82/18/322248218.db2.gz HTLXCZBQVCOERC-ZIAGYGMSSA-N 0 3 299.418 3.396 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000573448751 322388370 /nfs/dbraw/zinc/38/83/70/322388370.db2.gz JWUMAEQUUAYKFR-UHOFOFEASA-N 0 3 299.374 3.477 20 30 CGEDHN C=C(CC)CNCc1cc(OC)c(OC)cc1SC ZINC000313479578 327133269 /nfs/dbraw/zinc/13/32/69/327133269.db2.gz GOBOSGWCGONFKD-UHFFFAOYSA-N 0 3 281.421 3.482 20 30 CGEDHN C[C@@]1(CNC[C@@H](C#N)CCC#N)CCCc2ccccc21 ZINC000561059828 327362009 /nfs/dbraw/zinc/36/20/09/327362009.db2.gz CDPMZHTWUKBACX-QAPCUYQASA-N 0 3 281.403 3.314 20 30 CGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000150902997 327397001 /nfs/dbraw/zinc/39/70/01/327397001.db2.gz UCRJLZWNTCPBPP-DOTOQJQBSA-N 0 3 293.455 3.108 20 30 CGEDHN C=CCOc1ccc(CN2CC(C3CCC3)C2)cc1 ZINC000570319247 327583179 /nfs/dbraw/zinc/58/31/79/327583179.db2.gz NXGNEBNHFMXTBG-UHFFFAOYSA-N 0 3 257.377 3.483 20 30 CGEDHN COc1ccc([C@@H](C)CN2CCC(C)(C#N)CC2)cc1 ZINC000507697276 332819463 /nfs/dbraw/zinc/81/94/63/332819463.db2.gz HYJZRUVCDZPKMX-AWEZNQCLSA-N 0 3 272.392 3.424 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2ccccc2n1CC ZINC000582294517 328951788 /nfs/dbraw/zinc/95/17/88/328951788.db2.gz QLQIZSZRIASIGL-KBXCAEBGSA-N 0 3 299.418 3.127 20 30 CGEDHN CN(C)c1cccc([C@H]2CCCN2CCCC#N)c1 ZINC000173896880 329153229 /nfs/dbraw/zinc/15/32/29/329153229.db2.gz CPBMDGAMQWNGKZ-MRXNPFEDSA-N 0 3 257.381 3.193 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2ccc(F)cc21 ZINC000180458685 329217342 /nfs/dbraw/zinc/21/73/42/329217342.db2.gz PTZKSLKAHNBHFV-CQSZACIVSA-N 0 3 251.370 3.322 20 30 CGEDHN C=CCSCCNCc1ccc(OCC)cc1 ZINC000222062321 329220014 /nfs/dbraw/zinc/22/00/14/329220014.db2.gz DFPVLFGPGGKVEO-UHFFFAOYSA-N 0 3 251.395 3.094 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OCCC)c(OC)c1 ZINC000181049129 329225576 /nfs/dbraw/zinc/22/55/76/329225576.db2.gz FFXGWKOOMAYTGC-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCC1(C#N)CC1 ZINC000430876773 329232263 /nfs/dbraw/zinc/23/22/63/329232263.db2.gz SKYVZHZABCDOKT-JKSUJKDBSA-N 0 3 284.403 3.264 20 30 CGEDHN CC(C)(CC#N)CNCc1ccccc1OC(F)F ZINC000459696432 329363997 /nfs/dbraw/zinc/36/39/97/329363997.db2.gz POGHKXTZJYONIJ-UHFFFAOYSA-N 0 3 268.307 3.317 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccccc1Br ZINC000321520526 329371985 /nfs/dbraw/zinc/37/19/85/329371985.db2.gz XEJRTZZJFXHNQA-NWDGAFQWSA-N 0 3 298.224 3.427 20 30 CGEDHN C=CCN1CCC(Nc2ncnc3c(C)csc32)CC1 ZINC000189980674 329390634 /nfs/dbraw/zinc/39/06/34/329390634.db2.gz IDGWHJIASJJLSO-UHFFFAOYSA-N 0 3 288.420 3.062 20 30 CGEDHN CC[C@@H](CC#N)NCC[C@H](C)OCc1ccccc1 ZINC000583820646 329483160 /nfs/dbraw/zinc/48/31/60/329483160.db2.gz LNIGBEJISJYUJU-HOCLYGCPSA-N 0 3 260.381 3.264 20 30 CGEDHN C=CC[C@@H](C)NCc1ccc(OC)c(OC)c1Cl ZINC000116927405 329545447 /nfs/dbraw/zinc/54/54/47/329545447.db2.gz JLQZJFJVMSRMCX-SNVBAGLBSA-N 0 3 269.772 3.411 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000079324078 330022258 /nfs/dbraw/zinc/02/22/58/330022258.db2.gz WDPUWIMJAARMPH-CVEARBPZSA-N 0 3 286.419 3.235 20 30 CGEDHN COc1ccc([C@H](NCCCC#N)C(C)C)c(F)c1 ZINC000421836512 330091918 /nfs/dbraw/zinc/09/19/18/330091918.db2.gz HCDFDAZMFNAWTB-OAHLLOKOSA-N 0 3 264.344 3.425 20 30 CGEDHN C=CCCN(C)Cc1cccc(OC)c1OC(F)F ZINC000276187949 330112382 /nfs/dbraw/zinc/11/23/82/330112382.db2.gz WIJDQNGZVUNHSU-UHFFFAOYSA-N 0 3 271.307 3.305 20 30 CGEDHN CCCCC1CCC(CNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424098149 330228701 /nfs/dbraw/zinc/22/87/01/330228701.db2.gz CDXQIBUYKGKZIR-UYSNPLJNSA-N 0 3 293.455 3.120 20 30 CGEDHN COc1ccc(CN2[C@H](C)C[C@@H]2C)cc1OCCCC#N ZINC000527529535 330258143 /nfs/dbraw/zinc/25/81/43/330258143.db2.gz ZUCROOANRCLJMD-OKILXGFUSA-N 0 3 288.391 3.360 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(OC)cc1Cl ZINC000424292532 330335089 /nfs/dbraw/zinc/33/50/89/330335089.db2.gz VUJRWHOHJHYYRI-NWDGAFQWSA-N 0 3 283.799 3.184 20 30 CGEDHN C=CCn1cc(CN[C@H](C)C[C@@H](C)CC(C)C)nn1 ZINC000424296677 330336262 /nfs/dbraw/zinc/33/62/62/330336262.db2.gz PEXOJNRMHKALFR-UONOGXRCSA-N 0 3 264.417 3.015 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000424300453 330337092 /nfs/dbraw/zinc/33/70/92/330337092.db2.gz XQUCCVOOTMOEBH-ROUUACIJSA-N 0 3 296.418 3.280 20 30 CGEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424321203 330340126 /nfs/dbraw/zinc/34/01/26/330340126.db2.gz HCKYXEXPIWDNAV-ZENOOKHLSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424331210 330342300 /nfs/dbraw/zinc/34/23/00/330342300.db2.gz JEEFFAMCQNZJNZ-NWDGAFQWSA-N 0 3 283.799 3.326 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)cc1Cl ZINC000424358004 330346615 /nfs/dbraw/zinc/34/66/15/330346615.db2.gz WZEZXFKFRNSYHB-KMUNFCNLSA-N 0 3 281.783 3.343 20 30 CGEDHN C=CCC(C)(C)CNC(=O)Nc1cc(C)cc(CN)c1 ZINC000424428794 330351737 /nfs/dbraw/zinc/35/17/37/330351737.db2.gz VAKWSMNBXRXWDZ-UHFFFAOYSA-N 0 3 275.396 3.178 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc2ccccc2n1 ZINC000090450992 330392573 /nfs/dbraw/zinc/39/25/73/330392573.db2.gz HKCCWAYTOIECGQ-CQSZACIVSA-N 0 3 270.376 3.478 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000424742291 330456037 /nfs/dbraw/zinc/45/60/37/330456037.db2.gz UQNYDXATLTWQEY-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC#Cc1ccccc1 ZINC000429298687 330543551 /nfs/dbraw/zinc/54/35/51/330543551.db2.gz FPOVFVNPDZJZNU-DLBZAZTESA-N 0 3 271.404 3.221 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000442770612 330781800 /nfs/dbraw/zinc/78/18/00/330781800.db2.gz RTHDJHPFDPYCJI-DOMZBBRYSA-N 0 3 299.349 3.305 20 30 CGEDHN CC(C)c1ccccc1OCCN[C@H]1CC[C@@H](C#N)C1 ZINC000442870507 330788957 /nfs/dbraw/zinc/78/89/57/330788957.db2.gz DFZVZVWZOBGJBJ-CABCVRRESA-N 0 3 272.392 3.471 20 30 CGEDHN CC(C)c1ccccc1OCCN[C@@H]1CC[C@H](C#N)C1 ZINC000442870511 330788962 /nfs/dbraw/zinc/78/89/62/330788962.db2.gz DFZVZVWZOBGJBJ-LSDHHAIUSA-N 0 3 272.392 3.471 20 30 CGEDHN CCc1cccc2c1OCC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000442871957 330789177 /nfs/dbraw/zinc/78/91/77/330789177.db2.gz XZAHMDJMSFLECE-INWMFGNUSA-N 0 3 270.376 3.354 20 30 CGEDHN COCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccco1 ZINC000446764138 330853928 /nfs/dbraw/zinc/85/39/28/330853928.db2.gz DNASUOCLLAXNDG-MCIONIFRSA-N 0 3 262.353 3.029 20 30 CGEDHN C=C[C@H](C)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000447580969 330871220 /nfs/dbraw/zinc/87/12/20/330871220.db2.gz RLQYPIHWNFZFSC-CMPLNLGQSA-N 0 3 277.364 3.306 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000449138416 330901362 /nfs/dbraw/zinc/90/13/62/330901362.db2.gz BZRPEWRFQDNEKM-LSDHHAIUSA-N 0 3 299.422 3.448 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccc2O1 ZINC000449422810 330924418 /nfs/dbraw/zinc/92/44/18/330924418.db2.gz FTEJLOWBBUPZKA-GUIRCDHDSA-N 0 3 256.349 3.181 20 30 CGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC2(C#N)CCC2)C1 ZINC000450895826 331005524 /nfs/dbraw/zinc/00/55/24/331005524.db2.gz LZTQVYNYXDDETC-NCOADZHNSA-N 0 3 290.451 3.332 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NC[C@@H](OC(C)C)c1ccccc1 ZINC000451608118 331036559 /nfs/dbraw/zinc/03/65/59/331036559.db2.gz AEHZQQAHUWEFRB-IXDOHACOSA-N 0 3 275.392 3.086 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)cc2cccnc21 ZINC000451677622 331038590 /nfs/dbraw/zinc/03/85/90/331038590.db2.gz VDMYQOSPBRUQAX-CVEARBPZSA-N 0 3 286.350 3.197 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OC(C)(C)C)n1 ZINC000451680828 331038863 /nfs/dbraw/zinc/03/88/63/331038863.db2.gz KUGYNDYWBDRRSP-CABCVRRESA-N 0 3 290.407 3.082 20 30 CGEDHN C=C(C)CN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451910842 331047006 /nfs/dbraw/zinc/04/70/06/331047006.db2.gz MXOPZDHLDASPEA-ZDUSSCGKSA-N 0 3 274.191 3.367 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1ccccc1OC ZINC000163520638 331049952 /nfs/dbraw/zinc/04/99/52/331049952.db2.gz ZRVYFFKESSFAFC-HNNXBMFYSA-N 0 3 263.381 3.329 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OCCC)cc1 ZINC000453343350 331119516 /nfs/dbraw/zinc/11/95/16/331119516.db2.gz DZTJFENFESUALY-XYPHTWIQSA-N 0 3 275.392 3.470 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](CC)c1ccc(F)cc1F ZINC000453352187 331120819 /nfs/dbraw/zinc/12/08/19/331120819.db2.gz KZNCCEXNOSDJFE-SWLSCSKDSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)cc1F ZINC000453361194 331122557 /nfs/dbraw/zinc/12/25/57/331122557.db2.gz QLHGCHAYSIOFLK-LYRGGWFBSA-N 0 3 279.355 3.219 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453376497 331124913 /nfs/dbraw/zinc/12/49/13/331124913.db2.gz XIGSYDOELWCNQQ-GOEBONIOSA-N 0 3 299.418 3.065 20 30 CGEDHN CCC1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000453609489 331136242 /nfs/dbraw/zinc/13/62/42/331136242.db2.gz WMUXLUHSEHSKRY-UHFFFAOYSA-N 0 3 294.402 3.306 20 30 CGEDHN C=C(CC)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000456829971 331206597 /nfs/dbraw/zinc/20/65/97/331206597.db2.gz PQFMUZRACIBJDR-UHFFFAOYSA-N 0 3 286.375 3.190 20 30 CGEDHN C=CCCOCCNc1c(C)cnc2c(C)cccc21 ZINC000462514395 331323099 /nfs/dbraw/zinc/32/30/99/331323099.db2.gz URGTZDKXMLUEQI-UHFFFAOYSA-N 0 3 270.376 3.278 20 30 CGEDHN C=CCNC(=O)CN1CCCC[C@H]1c1cccc(C)c1C ZINC000464781502 331367788 /nfs/dbraw/zinc/36/77/88/331367788.db2.gz SPNASCOOWAGUMV-KRWDZBQOSA-N 0 3 286.419 3.133 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000464850234 331371182 /nfs/dbraw/zinc/37/11/82/331371182.db2.gz JEDXENQNJQVAFG-WBVHZDCISA-N 0 3 289.806 3.192 20 30 CGEDHN C=C(CC)CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000511544387 332935001 /nfs/dbraw/zinc/93/50/01/332935001.db2.gz YWXLNEQFNNPMSJ-AWEZNQCLSA-N 0 3 298.224 3.212 20 30 CGEDHN C#CCN[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000490916020 332128923 /nfs/dbraw/zinc/12/89/23/332128923.db2.gz RFLWGOZJEATMIT-LLVKDONJSA-N 0 3 256.374 3.402 20 30 CGEDHN C#CCn1ccc(CN(CC)CC2CCC(F)(F)CC2)n1 ZINC000491494719 332222207 /nfs/dbraw/zinc/22/22/07/332222207.db2.gz FAFWYQASVNUNSO-UHFFFAOYSA-N 0 3 295.377 3.164 20 30 CGEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000491667237 332275700 /nfs/dbraw/zinc/27/57/00/332275700.db2.gz HXYTZJWJIKAXTG-STQMWFEESA-N 0 3 292.810 3.367 20 30 CGEDHN C#C[C@H](NCc1cccc(OCCCC#N)c1)C(C)C ZINC000491788078 332350342 /nfs/dbraw/zinc/35/03/42/332350342.db2.gz WVFHLIULKSOUMU-KRWDZBQOSA-N 0 3 270.376 3.117 20 30 CGEDHN C=CCCCCCN1CCOc2cc(O)ccc2C1 ZINC000513123141 333005398 /nfs/dbraw/zinc/00/53/98/333005398.db2.gz SASFGFFPALUIGD-UHFFFAOYSA-N 0 3 261.365 3.333 20 30 CGEDHN N#CCC1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000516646655 333080110 /nfs/dbraw/zinc/08/01/10/333080110.db2.gz YHPNTXNALJLFQJ-UHFFFAOYSA-N 0 3 292.386 3.269 20 30 CGEDHN C=CCCC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000186135251 333155501 /nfs/dbraw/zinc/15/55/01/333155501.db2.gz BKEWQENKSCZNPK-QGZVFWFLSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCCC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000186135272 333155513 /nfs/dbraw/zinc/15/55/13/333155513.db2.gz BKEWQENKSCZNPK-KRWDZBQOSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCCCCCN[C@H](C)c1nnnn1-c1ccccc1 ZINC000193552536 333253193 /nfs/dbraw/zinc/25/31/93/333253193.db2.gz NCFQFURQCPBMMF-CQSZACIVSA-N 0 3 285.395 3.059 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000575926858 335132261 /nfs/dbraw/zinc/13/22/61/335132261.db2.gz LHNTUQHIWIXBLD-DLBZAZTESA-N 0 3 289.806 3.335 20 30 CGEDHN CCCCC1CCC(CNC(=O)C(C)C#N)CC1 ZINC000522984398 333303301 /nfs/dbraw/zinc/30/33/01/333303301.db2.gz RJNPDJZHVWVOQV-HSBZDZAISA-N 0 3 250.386 3.259 20 30 CGEDHN CC1(C)CC(CN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000528489995 333441281 /nfs/dbraw/zinc/44/12/81/333441281.db2.gz GUIJCMAFZUFVSC-UHFFFAOYSA-N 0 3 283.419 3.375 20 30 CGEDHN CC(=O)Nc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000174429120 335154392 /nfs/dbraw/zinc/15/43/92/335154392.db2.gz KENVXLYXAQMNOG-ZDUSSCGKSA-N 0 3 293.370 3.367 20 30 CGEDHN Cc1ccc(C)c([C@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000336527707 533713603 /nfs/dbraw/zinc/71/36/03/533713603.db2.gz YYUDCUNGZQCORB-DZGCQCFKSA-N 0 3 256.349 3.127 20 30 CGEDHN N#Cc1ccc(OCCN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000175015691 335171210 /nfs/dbraw/zinc/17/12/10/335171210.db2.gz KEZRYZZRCWPFGU-SFHVURJKSA-N 0 3 296.345 3.353 20 30 CGEDHN C=C(C)CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502868 334155896 /nfs/dbraw/zinc/15/58/96/334155896.db2.gz XHMHYMXEXQVHQV-KRWDZBQOSA-N 0 3 259.393 3.286 20 30 CGEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCCc2ccccc21 ZINC000548782251 334173769 /nfs/dbraw/zinc/17/37/69/334173769.db2.gz PIUYMEBWPFJECW-ZBFHGGJFSA-N 0 3 267.376 3.140 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000548858573 334176665 /nfs/dbraw/zinc/17/66/65/334176665.db2.gz NLCHAJHBMYOUOO-UKRRQHHQSA-N 0 3 255.365 3.001 20 30 CGEDHN C=CCOCCN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000549717997 334202851 /nfs/dbraw/zinc/20/28/51/334202851.db2.gz PBQUZKVWEVCPIB-NEPJUHHUSA-N 0 3 265.319 3.242 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000249034381 334325366 /nfs/dbraw/zinc/32/53/66/334325366.db2.gz BXUPQRBSASSKFN-XYJFISCASA-N 0 3 286.419 3.150 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1cncc(Br)c1 ZINC000576599991 335225230 /nfs/dbraw/zinc/22/52/30/335225230.db2.gz REUUZLVXSNSRLG-SNVBAGLBSA-N 0 3 296.212 3.435 20 30 CGEDHN CCS[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000176982779 335351426 /nfs/dbraw/zinc/35/14/26/335351426.db2.gz VAYAJLMBUMNCMU-SMDDNHRTSA-N 0 3 264.394 3.305 20 30 CGEDHN CCCCO[C@H]1C[C@@H](NCc2ccc(C#N)o2)C1(C)C ZINC000176985919 335351996 /nfs/dbraw/zinc/35/19/96/335351996.db2.gz VANFVACPHBXSCA-CABCVRRESA-N 0 3 276.380 3.225 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2nccn2Cc2ccccc2)C1 ZINC000577973097 335444523 /nfs/dbraw/zinc/44/45/23/335444523.db2.gz CJVPSJZIVUQPJY-RDJZCZTQSA-N 0 3 294.402 3.103 20 30 CGEDHN C(#Cc1ccccc1)CN1CCc2ccccc2CC1 ZINC000578987909 335696086 /nfs/dbraw/zinc/69/60/86/335696086.db2.gz PNGPTNPMRPZLNU-UHFFFAOYSA-N 0 3 261.368 3.139 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2CCCC2(F)F)c1 ZINC000381510093 336066866 /nfs/dbraw/zinc/06/68/66/336066866.db2.gz KPZUMPWATUGJQJ-CYBMUJFWSA-N 0 3 250.292 3.083 20 30 CGEDHN C[C@H](NCCc1ccc(O)cc1)c1ccc(C#N)cc1F ZINC000358572483 533869938 /nfs/dbraw/zinc/86/99/38/533869938.db2.gz QBQDJVGTWUEOSH-LBPRGKRZSA-N 0 3 284.334 3.296 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000347138505 534283480 /nfs/dbraw/zinc/28/34/80/534283480.db2.gz RELZZNVBGZZBGA-BDAKNGLRSA-N 0 3 285.174 3.200 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000334681291 534284249 /nfs/dbraw/zinc/28/42/49/534284249.db2.gz LDKUZSLWAPAKAX-VXGBXAGGSA-N 0 3 252.317 3.177 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000334962339 534284765 /nfs/dbraw/zinc/28/47/65/534284765.db2.gz JHVZVRALCSSYHX-ABAIWWIYSA-N 0 3 272.323 3.037 20 30 CGEDHN C=CC[C@@H](CO)NCc1cccc(OC2CCCC2)c1 ZINC000184262045 519104270 /nfs/dbraw/zinc/10/42/70/519104270.db2.gz INIRIUITRJWUNJ-HNNXBMFYSA-N 0 3 275.392 3.035 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C#N)cc1 ZINC000337878645 523008153 /nfs/dbraw/zinc/00/81/53/523008153.db2.gz WLORNODQNHQUAD-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN Cc1cc(CNCc2cccc(C#N)c2)ccc1F ZINC000050499387 524761132 /nfs/dbraw/zinc/76/11/32/524761132.db2.gz UEFVFMQQVKYIMU-UHFFFAOYSA-N 0 3 254.308 3.296 20 30 CGEDHN C[C@@H]1[C@@H](C)CCCN1CCOc1ccccc1C#N ZINC000050564769 525639003 /nfs/dbraw/zinc/63/90/03/525639003.db2.gz BXHCIWOZUYOSGC-UONOGXRCSA-N 0 3 258.365 3.057 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000353619692 526656435 /nfs/dbraw/zinc/65/64/35/526656435.db2.gz IKDNBHUPADDORX-AWEZNQCLSA-N 0 3 293.407 3.256 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000355033404 527140665 /nfs/dbraw/zinc/14/06/65/527140665.db2.gz JLNJVKLMMQXXPR-SQWLQELKSA-N 0 3 291.439 3.097 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C[S@@](C)=O)c1ccccc1 ZINC000347684696 527298020 /nfs/dbraw/zinc/29/80/20/527298020.db2.gz PDQRGYCRBMRXHS-ZSZQSSIHSA-N 0 3 279.449 3.441 20 30 CGEDHN C=CCC[C@@H](NCCC(=O)NC(C)(C)C)c1ccco1 ZINC000353389137 527447401 /nfs/dbraw/zinc/44/74/01/527447401.db2.gz SYEIVKBYZAAGFO-CYBMUJFWSA-N 0 3 278.396 3.181 20 30 CGEDHN C=CCC[C@H](NCC1(C(=O)NCC)CCC1)c1ccco1 ZINC000353586584 527482936 /nfs/dbraw/zinc/48/29/36/527482936.db2.gz DTRCLZLDDKDTJX-AWEZNQCLSA-N 0 3 290.407 3.183 20 30 CGEDHN C=CCC[C@H](NCCOCC(F)F)c1ccco1 ZINC000353667613 527484220 /nfs/dbraw/zinc/48/42/20/527484220.db2.gz CIMKIMQAFSZHGY-NSHDSACASA-N 0 3 259.296 3.158 20 30 CGEDHN CC(C)CN(Cc1nc(C#N)cs1)CC(C)C ZINC000356063355 527953120 /nfs/dbraw/zinc/95/31/20/527953120.db2.gz MLCXZCYCAGGOQU-UHFFFAOYSA-N 0 3 251.399 3.129 20 30 CGEDHN CCC(=O)CCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425529605 528284868 /nfs/dbraw/zinc/28/48/68/528284868.db2.gz CEBIHVWDYXIJLP-CYBMUJFWSA-N 0 3 258.365 3.310 20 30 CGEDHN CC(C)C[C@H](NC(=O)C(C)C#N)c1cccs1 ZINC000347045090 528568696 /nfs/dbraw/zinc/56/86/96/528568696.db2.gz ZDBZKWTZFVHGJA-MNOVXSKESA-N 0 3 250.367 3.111 20 30 CGEDHN CC1(C#N)CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000334615575 528841847 /nfs/dbraw/zinc/84/18/47/528841847.db2.gz MLQPHGIRNJECGA-UHFFFAOYSA-N 0 3 286.404 3.059 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000483239806 535073913 /nfs/dbraw/zinc/07/39/13/535073913.db2.gz QDHDGQCBDMYICK-OAHLLOKOSA-N 0 3 299.418 3.255 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC ZINC000452036683 535744581 /nfs/dbraw/zinc/74/45/81/535744581.db2.gz RVCKSEUSIOPYMX-HZPDHXFCSA-N 0 3 288.391 3.004 20 30 CGEDHN C=CCN1CC[C@H](N2CCCC[C@H]2c2ccccc2)C1=O ZINC000337181619 571823194 /nfs/dbraw/zinc/82/31/94/571823194.db2.gz BADIJCYNLCAJFE-IRXDYDNUSA-N 0 3 284.403 3.001 20 30 CGEDHN C#Cc1cccc(N(C)C(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000729372689 571903445 /nfs/dbraw/zinc/90/34/45/571903445.db2.gz VATQTTOQBSRCDD-SFHVURJKSA-N 0 3 298.430 3.141 20 30 CGEDHN C#CCN(CC)CCC(=O)Nc1cccc2ccccc21 ZINC000746456571 571966084 /nfs/dbraw/zinc/96/60/84/571966084.db2.gz ACLIBQZWBRDYJP-UHFFFAOYSA-N 0 3 280.371 3.124 20 30 CGEDHN C#CCOc1ccccc1CN[C@@H]1C[C@H]1Cc1ccccc1 ZINC000742375867 572570432 /nfs/dbraw/zinc/57/04/32/572570432.db2.gz WYDZHNASRMVFAN-RTBURBONSA-N 0 3 291.394 3.419 20 30 CGEDHN C#CCN(C(=O)[C@H](C)N1CCCCCC1)C1CCCCC1 ZINC000733926944 572619376 /nfs/dbraw/zinc/61/93/76/572619376.db2.gz IWTAXXXHZHBUOW-INIZCTEOSA-N 0 3 290.451 3.045 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)C(C)C)nc21 ZINC000735789256 572740540 /nfs/dbraw/zinc/74/05/40/572740540.db2.gz LCBFPGJOXGFIGF-NWDGAFQWSA-N 0 3 269.348 3.340 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)C(C)C)[nH]c21 ZINC000735789256 572740544 /nfs/dbraw/zinc/74/05/44/572740544.db2.gz LCBFPGJOXGFIGF-NWDGAFQWSA-N 0 3 269.348 3.340 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CC=CCC3)nc21 ZINC000735790655 572741476 /nfs/dbraw/zinc/74/14/76/572741476.db2.gz OLHVCDWXLNXVBS-STQMWFEESA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CC=CCC3)[nH]c21 ZINC000735790655 572741481 /nfs/dbraw/zinc/74/14/81/572741481.db2.gz OLHVCDWXLNXVBS-STQMWFEESA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccsc3)nc21 ZINC000735792938 572741754 /nfs/dbraw/zinc/74/17/54/572741754.db2.gz OYMHYCOXRXEFCU-LBPRGKRZSA-N 0 3 295.367 3.352 20 30 CGEDHN Cc1cc(F)ccc1[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000747820375 572950823 /nfs/dbraw/zinc/95/08/23/572950823.db2.gz BVFGOZIRXXGHGQ-UGSOOPFHSA-N 0 3 298.361 3.390 20 30 CGEDHN C#CCN(CC)CCOc1cccc2ccccc21 ZINC000749159384 572989998 /nfs/dbraw/zinc/98/99/98/572989998.db2.gz CUOATJDCYOSEHG-UHFFFAOYSA-N 0 3 253.345 3.174 20 30 CGEDHN CCCCCCCCN(C)C[C@@H](O)C(F)(F)F ZINC000774772424 628026560 /nfs/dbraw/zinc/02/65/60/628026560.db2.gz PWIUGXSLJQRYFZ-LLVKDONJSA-N 0 3 255.324 3.202 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000980274691 613610757 /nfs/dbraw/zinc/61/07/57/613610757.db2.gz JRMODJAHDQFSJG-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC000971916196 613611549 /nfs/dbraw/zinc/61/15/49/613611549.db2.gz DGUWRSMWFJMBIY-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000971595761 613641284 /nfs/dbraw/zinc/64/12/84/613641284.db2.gz DDSOEZNBWJLHIR-NSHDSACASA-N 0 3 298.839 3.042 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC000968916538 613685402 /nfs/dbraw/zinc/68/54/02/613685402.db2.gz CLIJVXUTLBSKQF-PQUAAJSLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000941185986 613752047 /nfs/dbraw/zinc/75/20/47/613752047.db2.gz YNINWYRANOHCOM-MRXNPFEDSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2sccc2Cl)[C@H](C)C1 ZINC000942074095 613763005 /nfs/dbraw/zinc/76/30/05/613763005.db2.gz UPOMOKAYDDPKHO-ZYHUDNBSSA-N 0 3 298.839 3.028 20 30 CGEDHN Cc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000034991879 617612098 /nfs/dbraw/zinc/61/20/98/617612098.db2.gz SEQOLHHIFLJDIC-UHFFFAOYSA-N 0 3 266.344 3.187 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810910268 618061817 /nfs/dbraw/zinc/06/18/17/618061817.db2.gz FVEOTWWIVULJJW-CZUORRHYSA-N 0 3 284.419 3.060 20 30 CGEDHN CCCN(Cc1csc(C#N)c1)C[C@@H]1CCCCO1 ZINC000891942346 618397722 /nfs/dbraw/zinc/39/77/22/618397722.db2.gz FDIXSSNTGPMOIX-AWEZNQCLSA-N 0 3 278.421 3.401 20 30 CGEDHN Clc1ccc(C#CCN[C@@H]2CCOC23CCCC3)cc1 ZINC000934383593 618613621 /nfs/dbraw/zinc/61/36/21/618613621.db2.gz NUIXPZJFXCNDIQ-MRXNPFEDSA-N 0 3 289.806 3.383 20 30 CGEDHN C[C@@H](N[C@@H](C)CCC#N)c1cnn(CC2CCC2)c1 ZINC000934558196 618645792 /nfs/dbraw/zinc/64/57/92/618645792.db2.gz ANWVZNVXUVECRG-QWHCGFSZSA-N 0 3 260.385 3.026 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC001022904255 618679041 /nfs/dbraw/zinc/67/90/41/618679041.db2.gz IVFBQJQKMSEUFJ-KBXIAJHMSA-N 0 3 298.858 3.192 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(Cl)c2cccnc12 ZINC000229892118 618870127 /nfs/dbraw/zinc/87/01/27/618870127.db2.gz NYNIAMAOQGUWMX-LBPRGKRZSA-N 0 3 258.752 3.390 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000775183423 619005894 /nfs/dbraw/zinc/00/58/94/619005894.db2.gz LYJVANJMQDFOCR-JTQLQIEISA-N 0 3 257.255 3.039 20 30 CGEDHN C#CCNC(C)(C)c1ccc(Br)c(C)c1 ZINC000309249743 619010814 /nfs/dbraw/zinc/01/08/14/619010814.db2.gz ZVRKGBMTJGKUNM-UHFFFAOYSA-N 0 3 266.182 3.215 20 30 CGEDHN C=CCCC[C@H](C)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000893301291 619078535 /nfs/dbraw/zinc/07/85/35/619078535.db2.gz AVHJUAJCDALBSW-NSHDSACASA-N 0 3 294.351 3.143 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000925704151 619153879 /nfs/dbraw/zinc/15/38/79/619153879.db2.gz ILPFLQQKKMUHCB-OLZOCXBDSA-N 0 3 250.390 3.254 20 30 CGEDHN N#CCCCN1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932188477 619308253 /nfs/dbraw/zinc/30/82/53/619308253.db2.gz LHPMMSXPIWFLKW-LBPRGKRZSA-N 0 3 275.421 3.115 20 30 CGEDHN COc1ccc2c(c1)CCN(Cc1csc(C#N)c1)CC2 ZINC000893905881 619328493 /nfs/dbraw/zinc/32/84/93/619328493.db2.gz UAQDJYYMECRZTD-UHFFFAOYSA-N 0 3 298.411 3.229 20 30 CGEDHN Cc1[nH]nc(CN(Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000893945975 619338442 /nfs/dbraw/zinc/33/84/42/619338442.db2.gz RZROHIVKFXGBCR-UHFFFAOYSA-N 0 3 282.391 3.309 20 30 CGEDHN CN(CCCOc1ccc(C#N)cc1)Cc1ccoc1 ZINC000048554423 619508453 /nfs/dbraw/zinc/50/84/53/619508453.db2.gz HZZFGDDHWAOPRV-UHFFFAOYSA-N 0 3 270.332 3.052 20 30 CGEDHN C=C(CC)CNCc1cnc(CC(F)(F)F)s1 ZINC000894776059 619629037 /nfs/dbraw/zinc/62/90/37/619629037.db2.gz SRFALCFLOYELRP-UHFFFAOYSA-N 0 3 264.316 3.304 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNC[C@@H]2CCC=CO2)cc1 ZINC000194566264 619731897 /nfs/dbraw/zinc/73/18/97/619731897.db2.gz XKTOJSLLWYONAW-HNNXBMFYSA-N 0 3 295.304 3.339 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](c1ccccc1)[C@H](C)O ZINC000895473115 619836032 /nfs/dbraw/zinc/83/60/32/619836032.db2.gz LZAIMLNGLGRVOR-HNAYVOBHSA-N 0 3 294.398 3.387 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2COCC2(C)C)c([O-])c1 ZINC000840708339 620094008 /nfs/dbraw/zinc/09/40/08/620094008.db2.gz FUAIQTUVVDCAIR-LTKMBJGESA-N 0 3 290.407 3.082 20 30 CGEDHN C#CCC1(NCc2cc(F)ncc2F)CCCCC1 ZINC000897336820 620210879 /nfs/dbraw/zinc/21/08/79/620210879.db2.gz PGBRKMHRTCSAKH-UHFFFAOYSA-N 0 3 264.319 3.176 20 30 CGEDHN CC1=CCC[C@H](C)[C@@H]1CNCc1nc(C#N)cs1 ZINC000897628612 620413911 /nfs/dbraw/zinc/41/39/11/620413911.db2.gz LRRBBVPWOYBBSM-WCQYABFASA-N 0 3 261.394 3.097 20 30 CGEDHN CC(C)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cnn(C)c1 ZINC000927068636 620569861 /nfs/dbraw/zinc/56/98/61/620569861.db2.gz KHWSEOFHKBAXCU-MSOLQXFVSA-N 0 3 294.402 3.266 20 30 CGEDHN CC(C)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cnn(C)c1 ZINC000927068647 620570051 /nfs/dbraw/zinc/57/00/51/620570051.db2.gz KHWSEOFHKBAXCU-ZWKOTPCHSA-N 0 3 294.402 3.266 20 30 CGEDHN CNc1ccccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000902530453 621364889 /nfs/dbraw/zinc/36/48/89/621364889.db2.gz PCDXLELQSGRYGE-SFHVURJKSA-N 0 3 277.371 3.377 20 30 CGEDHN C=CCCCN(CC)Cn1nccc1-c1cccnc1 ZINC000902669519 621396167 /nfs/dbraw/zinc/39/61/67/621396167.db2.gz NXFNCMSCVGBVNF-UHFFFAOYSA-N 0 3 270.380 3.191 20 30 CGEDHN C[C@@H](COc1cccc(F)c1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902759427 621428938 /nfs/dbraw/zinc/42/89/38/621428938.db2.gz XBUFMMIZJQKZBE-STQMWFEESA-N 0 3 299.349 3.210 20 30 CGEDHN Cc1cccc(C)c1OCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902770144 621434003 /nfs/dbraw/zinc/43/40/03/621434003.db2.gz FBZKIMVNJPFXBZ-HNNXBMFYSA-N 0 3 295.386 3.300 20 30 CGEDHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1cc(C#N)ccn1 ZINC000902882705 621483406 /nfs/dbraw/zinc/48/34/06/621483406.db2.gz VRJHPKRHNYIGJR-CMPLNLGQSA-N 0 3 265.307 3.182 20 30 CGEDHN C=CCC[C@H](NCc1cc(C)ncn1)[C@@]1(C)CCCCO1 ZINC000902887332 621485177 /nfs/dbraw/zinc/48/51/77/621485177.db2.gz HPOFDWUJGATXBB-DLBZAZTESA-N 0 3 289.423 3.169 20 30 CGEDHN C=CCC1(CN[C@@H](C)c2cn(CCC)nn2)CCCC1 ZINC000903012808 621533822 /nfs/dbraw/zinc/53/38/22/621533822.db2.gz UJRZTWJUWGMBAV-AWEZNQCLSA-N 0 3 276.428 3.475 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cc(C#N)ccn1 ZINC000903037548 621538680 /nfs/dbraw/zinc/53/86/80/621538680.db2.gz AMOOCGJEKDZYCH-OSAQELSMSA-N 0 3 257.381 3.429 20 30 CGEDHN CCCc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905083854 622033068 /nfs/dbraw/zinc/03/30/68/622033068.db2.gz GNXFPDAUHYMMGV-HOXUKUGESA-N 0 3 267.332 3.072 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccccc1)C(C)C ZINC000911959160 622580566 /nfs/dbraw/zinc/58/05/66/622580566.db2.gz CFZAPQSNMFCNIN-INIZCTEOSA-N 0 3 274.408 3.107 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000912195820 622617640 /nfs/dbraw/zinc/61/76/40/622617640.db2.gz QSZAFPNGNZBZSJ-XHDPSFHLSA-N 0 3 296.361 3.168 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(CCCC2)C1 ZINC000173829646 623343185 /nfs/dbraw/zinc/34/31/85/623343185.db2.gz JCEIZTZEAPUAFV-CQSZACIVSA-N 0 3 297.402 3.151 20 30 CGEDHN C[C@H]1Cc2cc(CNCc3ccc(C#N)cc3)ccc2O1 ZINC000921543985 625659744 /nfs/dbraw/zinc/65/97/44/625659744.db2.gz OAOUXRGIGBJIOZ-ZDUSSCGKSA-N 0 3 278.355 3.171 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(CC)cc3)CCC[C@H]12 ZINC000992484329 623596291 /nfs/dbraw/zinc/59/62/91/623596291.db2.gz DYKQVFWWJACWQR-HKUYNNGSSA-N 0 3 298.430 3.162 20 30 CGEDHN C=CCN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993083510 623828162 /nfs/dbraw/zinc/82/81/62/623828162.db2.gz UOLXZIUGITVFAB-GDBMZVCRSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993327687 624025940 /nfs/dbraw/zinc/02/59/40/624025940.db2.gz NJWPZZWGXBDIBC-WFASDCNBSA-N 0 3 292.448 3.215 20 30 CGEDHN CCCNN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000915965370 624092430 /nfs/dbraw/zinc/09/24/30/624092430.db2.gz NRPCYHJFNMLDNN-UHFFFAOYSA-N 0 3 289.423 3.015 20 30 CGEDHN CN1CCC[C@@H]1CSc1cccc(C#N)c1Cl ZINC000920289755 624472973 /nfs/dbraw/zinc/47/29/73/624472973.db2.gz WMOLDSQMCBJGGD-LLVKDONJSA-N 0 3 266.797 3.398 20 30 CGEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997924686 625773517 /nfs/dbraw/zinc/77/35/17/625773517.db2.gz CWUXPNCKDKCXEK-GOSISDBHSA-N 0 3 298.430 3.027 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC000998594323 625817313 /nfs/dbraw/zinc/81/73/13/625817313.db2.gz KJZXJXCKZAJLQK-UHFFFAOYSA-N 0 3 298.858 3.000 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001001479530 625898219 /nfs/dbraw/zinc/89/82/19/625898219.db2.gz AGCDNVOSCSIOTL-MRXNPFEDSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCC1(CNCc2nc(Br)c[nH]2)CCCC1 ZINC000922162477 625977395 /nfs/dbraw/zinc/97/73/95/625977395.db2.gz MUFHGZNUEKUNSD-UHFFFAOYSA-N 0 3 298.228 3.398 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000922246549 625989604 /nfs/dbraw/zinc/98/96/04/625989604.db2.gz RMRCQGIIZRYQMN-RTBURBONSA-N 0 3 292.382 3.443 20 30 CGEDHN Cc1cc(CNCc2c(C)cc(CO)cc2C)ccc1C#N ZINC000922561234 626012830 /nfs/dbraw/zinc/01/28/30/626012830.db2.gz NITMSFPEMGOKRI-UHFFFAOYSA-N 0 3 294.398 3.266 20 30 CGEDHN COc1cc(CNC(C)(C)/C=C\Cl)ccc1C#N ZINC000922649401 626025600 /nfs/dbraw/zinc/02/56/00/626025600.db2.gz VGBWBQWQUYAFBY-SREVYHEPSA-N 0 3 264.756 3.188 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)CCC)CC1 ZINC001004326942 626037735 /nfs/dbraw/zinc/03/77/35/626037735.db2.gz PKIKMVSPIOBKRE-HNNXBMFYSA-N 0 3 298.858 3.242 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cscc2C)CC1 ZINC001005222595 626088721 /nfs/dbraw/zinc/08/87/21/626088721.db2.gz ALYSSKPBYNLPIZ-UHFFFAOYSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2csc(C)c2C)CC1 ZINC001005449979 626090574 /nfs/dbraw/zinc/09/05/74/626090574.db2.gz ZUNAAJLKYQJMBB-UHFFFAOYSA-N 0 3 292.448 3.087 20 30 CGEDHN C#CCC1(NCc2ncc(CN(C)C)s2)CCCCC1 ZINC000922981253 626114593 /nfs/dbraw/zinc/11/45/93/626114593.db2.gz KIHXJFRCUPYHCF-UHFFFAOYSA-N 0 3 291.464 3.021 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@@H]1C ZINC000752089631 626418844 /nfs/dbraw/zinc/41/88/44/626418844.db2.gz WVZNTYXTYZGGGM-VXGBXAGGSA-N 0 3 278.783 3.473 20 30 CGEDHN CCc1ccccc1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000753956977 626470209 /nfs/dbraw/zinc/47/02/09/626470209.db2.gz YYRUZBWTRDYWJW-GFCCVEGCSA-N 0 3 257.381 3.274 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000756762040 626729978 /nfs/dbraw/zinc/72/99/78/626729978.db2.gz WBKIPFHNJILJLQ-KBPBESRZSA-N 0 3 270.380 3.273 20 30 CGEDHN CN1c2ccccc2C(C)(C)C1=CC=NNC1CC1 ZINC000758129866 626829412 /nfs/dbraw/zinc/82/94/12/626829412.db2.gz RKRKOFHSTQZENP-AKULITJFSA-N 0 3 255.365 3.036 20 30 CGEDHN C#CCOc1ccc(CNC(C)(C)c2ccc(C)nc2)cc1 ZINC000759186282 626879248 /nfs/dbraw/zinc/87/92/48/626879248.db2.gz PRSXFDZHTJQGFA-UHFFFAOYSA-N 0 3 294.398 3.427 20 30 CGEDHN N#CC(C(=O)[C@H]1CCSC1)c1ccc2ccccc2n1 ZINC000762064798 627084916 /nfs/dbraw/zinc/08/49/16/627084916.db2.gz XVGYQJPCMKQILQ-QWHCGFSZSA-N 0 3 282.368 3.164 20 30 CGEDHN N#Cc1ccc([C@H](O)CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000763540935 627165337 /nfs/dbraw/zinc/16/53/37/627165337.db2.gz XCJDWBMFEYNZJC-QGZVFWFLSA-N 0 3 296.345 3.010 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000766666423 627351586 /nfs/dbraw/zinc/35/15/86/627351586.db2.gz UHPICKBWLVTAFL-GFCCVEGCSA-N 0 3 275.392 3.152 20 30 CGEDHN C#CCOc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000769447831 627553557 /nfs/dbraw/zinc/55/35/57/627553557.db2.gz YBQHPDRRSAGJPY-KBPBESRZSA-N 0 3 275.417 3.024 20 30 CGEDHN C#C[C@@H](C)N(C)CCSc1ccc(Cl)cc1 ZINC000769978382 627594344 /nfs/dbraw/zinc/59/43/44/627594344.db2.gz XRIQIFQFFLPHSC-LLVKDONJSA-N 0 3 253.798 3.386 20 30 CGEDHN C#C[C@H](NCCc1cc(Cl)cc(Cl)c1)[C@H]1CCCO1 ZINC000773857629 627919860 /nfs/dbraw/zinc/91/98/60/627919860.db2.gz KYPYAZDFWWMHBC-LSDHHAIUSA-N 0 3 298.213 3.306 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2C)c1ccccc1 ZINC000874833367 634629714 /nfs/dbraw/zinc/62/97/14/634629714.db2.gz KTEJJAVXANCWAM-RCCFBDPRSA-N 0 3 298.430 3.041 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@@H](C)c2c1cccc2C)[C@@H]1CCCO1 ZINC000775572366 628109198 /nfs/dbraw/zinc/10/91/98/628109198.db2.gz RDTVJAMABLPYAL-XBVQOTNRSA-N 0 3 269.388 3.314 20 30 CGEDHN CN(C)c1ccncc1C=[NH+][N-]c1cc(F)c(F)c(F)c1 ZINC000776186272 628177384 /nfs/dbraw/zinc/17/73/84/628177384.db2.gz LCXVTKMSPJZKTN-UHFFFAOYSA-N 0 3 294.280 3.011 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000779188452 628393276 /nfs/dbraw/zinc/39/32/76/628393276.db2.gz ODCUGRSSTSOJSQ-LJQANCHMSA-N 0 3 299.414 3.090 20 30 CGEDHN C#CCCCCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000779927314 628442932 /nfs/dbraw/zinc/44/29/32/628442932.db2.gz YQDMDHIGRNLOOA-KRWDZBQOSA-N 0 3 298.430 3.090 20 30 CGEDHN CC1(C)C[C@@H](NN=C2CCCNc3ccccc32)CCO1 ZINC000780240958 628467897 /nfs/dbraw/zinc/46/78/97/628467897.db2.gz IZAOJZNTKVBXQI-ZDUSSCGKSA-N 0 3 287.407 3.144 20 30 CGEDHN C#CCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000780305878 628480953 /nfs/dbraw/zinc/48/09/53/628480953.db2.gz PUZGOYXEBXMIQH-MRXNPFEDSA-N 0 3 296.370 3.226 20 30 CGEDHN Cc1cccc2c1ncc(C)c2NCc1ccc(C#N)cn1 ZINC000780611628 628505024 /nfs/dbraw/zinc/50/50/24/628505024.db2.gz RUELCYWSIKRJBL-UHFFFAOYSA-N 0 3 288.354 3.152 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000780745427 628513582 /nfs/dbraw/zinc/51/35/82/628513582.db2.gz PQRCGLUPKGVRFH-AWEZNQCLSA-N 0 3 285.391 3.034 20 30 CGEDHN C[C@H](NCCNc1ccccc1)c1ccc(C#N)cc1F ZINC000781424363 628559399 /nfs/dbraw/zinc/55/93/99/628559399.db2.gz XXHYVZVDFGQFGL-ZDUSSCGKSA-N 0 3 283.350 3.460 20 30 CGEDHN Cc1ccc([C@H](C)NCc2ccc(C#N)cn2)c(O)c1C ZINC000783300132 628700826 /nfs/dbraw/zinc/70/08/26/628700826.db2.gz IKFALKZZLLCWRA-ZDUSSCGKSA-N 0 3 281.359 3.127 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(OC(C)=O)cc1 ZINC000785998217 628906411 /nfs/dbraw/zinc/90/64/11/628906411.db2.gz ZHMIPFIIXXUGHS-OAHLLOKOSA-N 0 3 259.349 3.152 20 30 CGEDHN C=CCCN(C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000786579855 628949572 /nfs/dbraw/zinc/94/95/72/628949572.db2.gz UYRFSLMLOGGMCZ-UHFFFAOYSA-N 0 3 291.395 3.437 20 30 CGEDHN C#CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000787416399 629011394 /nfs/dbraw/zinc/01/13/94/629011394.db2.gz NGBLNMAAPLTAAE-JLHYYAGUSA-N 0 3 270.332 3.096 20 30 CGEDHN CC[C@@H](c1ccccc1OC)N(C)CCO[C@@H](C)C#N ZINC000805836588 629012316 /nfs/dbraw/zinc/01/23/16/629012316.db2.gz SXXFDPMIQOQXNZ-ZFWWWQNUSA-N 0 3 276.380 3.007 20 30 CGEDHN C#Cc1ccc(CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000787771939 629028929 /nfs/dbraw/zinc/02/89/29/629028929.db2.gz GYJSZOWYKSLFGB-QGZVFWFLSA-N 0 3 263.340 3.151 20 30 CGEDHN CSCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000788178891 629039907 /nfs/dbraw/zinc/03/99/07/629039907.db2.gz GEKIDAQYXNDOCO-SNVBAGLBSA-N 0 3 288.372 3.393 20 30 CGEDHN COC1(C=Nn2cnc3ccccc32)CCCCC1 ZINC000790154055 629187054 /nfs/dbraw/zinc/18/70/54/629187054.db2.gz PJNLMIHRGUPXCF-UHFFFAOYSA-N 0 3 257.337 3.220 20 30 CGEDHN CC[C@H](C)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000790182579 629189865 /nfs/dbraw/zinc/18/98/65/629189865.db2.gz DUKARZQEBUJHNB-ZFWWWQNUSA-N 0 3 251.418 3.159 20 30 CGEDHN CCCCCCCCCN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000792231132 629350847 /nfs/dbraw/zinc/35/08/47/629350847.db2.gz KZFRQJTUARCLAY-HNNXBMFYSA-N 0 3 289.485 3.104 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccn3)C2)cc1F ZINC000799195805 630157186 /nfs/dbraw/zinc/15/71/86/630157186.db2.gz LRWPHSBDQYXTLR-OAHLLOKOSA-N 0 3 281.334 3.082 20 30 CGEDHN CC(C)(CCC#N)CNCc1cccnc1Br ZINC000865570499 630194132 /nfs/dbraw/zinc/19/41/32/630194132.db2.gz INXOWCUTDFNQKU-UHFFFAOYSA-N 0 3 296.212 3.264 20 30 CGEDHN C#CCCCC(=O)OC[C@@H]1CCCCN1Cc1ccccc1 ZINC000799631210 630204684 /nfs/dbraw/zinc/20/46/84/630204684.db2.gz HITKKMPZKOQHFF-SFHVURJKSA-N 0 3 299.414 3.388 20 30 CGEDHN C[C@@H](C#N)OCCN1CCCCC[C@@H]1c1ccco1 ZINC000801922136 630366602 /nfs/dbraw/zinc/36/66/02/630366602.db2.gz GFBYUJANBSBWJQ-UONOGXRCSA-N 0 3 262.353 3.125 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2C[C@@H]2C(F)F)c([O-])c1 ZINC000804597728 630541976 /nfs/dbraw/zinc/54/19/76/630541976.db2.gz DIVDVSFTSFKWHL-VDYCAFGDSA-N 0 3 282.334 3.311 20 30 CGEDHN CC(C)(C)c1ccc([C@@H]2CCCN2C[C@H](O)CC#N)cc1 ZINC000809572117 630751981 /nfs/dbraw/zinc/75/19/81/630751981.db2.gz HSKYOVAGCNSFFX-SJORKVTESA-N 0 3 286.419 3.396 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(O)c(OCC)c2)cc1 ZINC000809633426 630769444 /nfs/dbraw/zinc/76/94/44/630769444.db2.gz MUFHVNISICTDLI-UHFFFAOYSA-N 0 3 281.355 3.062 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000809686575 630783454 /nfs/dbraw/zinc/78/34/54/630783454.db2.gz DJZCZJKFTJWLDY-INIZCTEOSA-N 0 3 279.387 3.351 20 30 CGEDHN C#C[C@H](NCc1cccc(OCCCOC)c1)C(C)(C)C ZINC000809781371 630806542 /nfs/dbraw/zinc/80/65/42/630806542.db2.gz PKWJBFOCWWFCLQ-KRWDZBQOSA-N 0 3 289.419 3.239 20 30 CGEDHN CC[C@@H](Cc1ccc(C)cc1)NCc1nc(C#N)cs1 ZINC000810145752 630845546 /nfs/dbraw/zinc/84/55/46/630845546.db2.gz IBXSWKVSGBPENP-AWEZNQCLSA-N 0 3 285.416 3.434 20 30 CGEDHN C[C@H](CCC1CCCC1)NCc1nc(C#N)cs1 ZINC000810145503 630845731 /nfs/dbraw/zinc/84/57/31/630845731.db2.gz CILLRCRLLBSIMB-LLVKDONJSA-N 0 3 263.410 3.463 20 30 CGEDHN C[C@@H](COc1ccccc1)NN=Cc1ccc(N(C)C)cc1 ZINC000811664891 631105446 /nfs/dbraw/zinc/10/54/46/631105446.db2.gz JHXJPTNTCFEEAH-HNNXBMFYSA-N 0 3 297.402 3.144 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000813331917 631410549 /nfs/dbraw/zinc/41/05/49/631410549.db2.gz NNOLZMKEHQQPIG-AWEZNQCLSA-N 0 3 270.376 3.353 20 30 CGEDHN Cc1cccc(C(C)C)c1NN=Cc1cn(C)[nH]c1=O ZINC000814229072 631554905 /nfs/dbraw/zinc/55/49/05/631554905.db2.gz QMUDLBLXYYAQQB-UHFFFAOYSA-N 0 3 272.352 3.004 20 30 CGEDHN CCOc1ccc(N=NC2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000814985244 631702625 /nfs/dbraw/zinc/70/26/25/631702625.db2.gz YJXJNBQQUVQXKC-GFCCVEGCSA-N 0 3 273.380 3.110 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1ccc(Cl)cn1 ZINC000879432996 635787788 /nfs/dbraw/zinc/78/77/88/635787788.db2.gz RTUQDBYOTCXSJU-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000818967563 632357853 /nfs/dbraw/zinc/35/78/53/632357853.db2.gz WDRHWRFENXMZNQ-OAUYIBNBSA-N 0 3 296.370 3.098 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC23CC3)c([O-])c1 ZINC000818991518 632360812 /nfs/dbraw/zinc/36/08/12/632360812.db2.gz GJUIIXBPOSQFMH-QAEAHILHSA-N 0 3 258.365 3.210 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2nn(C)cc2C(F)F)C1 ZINC000865808028 632896930 /nfs/dbraw/zinc/89/69/30/632896930.db2.gz WHXNBNSSUNZNOE-WDEREUQCSA-N 0 3 269.339 3.192 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nn(C)cc2C(F)F)C1 ZINC000865808026 632897139 /nfs/dbraw/zinc/89/71/39/632897139.db2.gz WHXNBNSSUNZNOE-MNOVXSKESA-N 0 3 269.339 3.192 20 30 CGEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000866539411 633182824 /nfs/dbraw/zinc/18/28/24/633182824.db2.gz BWLUASHYERTICX-GXTWGEPZSA-N 0 3 273.336 3.075 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Br)cn2)C1 ZINC000866569173 633199092 /nfs/dbraw/zinc/19/90/92/633199092.db2.gz NMHUFSGOSNGYGW-PWSUYJOCSA-N 0 3 294.196 3.016 20 30 CGEDHN C#C[C@H](N[C@@H]1CSC[C@@H]1C)c1ccc(Cl)cc1 ZINC000824417541 633242273 /nfs/dbraw/zinc/24/22/73/633242273.db2.gz XNSZGFZKFWKTBV-LEWSCRJBSA-N 0 3 265.809 3.355 20 30 CGEDHN C[C@@H](NCc1nc(C#N)cs1)[C@@H]1CCCC[C@H]1C ZINC000824654464 633269305 /nfs/dbraw/zinc/26/93/05/633269305.db2.gz OLHYQMHTWWOWOI-NQBHXWOUSA-N 0 3 263.410 3.319 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000876576489 634861653 /nfs/dbraw/zinc/86/16/53/634861653.db2.gz HWLIWJLMMRKDII-LSDHHAIUSA-N 0 3 292.810 3.128 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2sccc2[C@@H]1CC ZINC000876602069 634865122 /nfs/dbraw/zinc/86/51/22/634865122.db2.gz GSTVMYASZIFYSW-RYUDHWBXSA-N 0 3 298.839 3.054 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)CC(C)C ZINC000876599578 634865367 /nfs/dbraw/zinc/86/53/67/634865367.db2.gz FKFNUWFBFGSNPB-OAHLLOKOSA-N 0 3 294.826 3.141 20 30 CGEDHN C=CCCCCC[C@H](C)NCc1nc(-c2ccccn2)n[nH]1 ZINC000825188308 633334354 /nfs/dbraw/zinc/33/43/54/633334354.db2.gz IRQTVVHJTFBZAZ-AWEZNQCLSA-N 0 3 299.422 3.481 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2c(Cl)n(C)nc2CC)C1 ZINC000826946047 633445250 /nfs/dbraw/zinc/44/52/50/633445250.db2.gz DGAPXOBGLWXYCZ-GFCCVEGCSA-N 0 3 281.831 3.424 20 30 CGEDHN C=C(C)CN(CC)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827726208 633512995 /nfs/dbraw/zinc/51/29/95/633512995.db2.gz VIWOAWBKFANUJJ-OAHLLOKOSA-N 0 3 280.412 3.038 20 30 CGEDHN C#CC[C@@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000829784927 633784510 /nfs/dbraw/zinc/78/45/10/633784510.db2.gz OCJZHUJNLHGECI-CZUORRHYSA-N 0 3 277.795 3.109 20 30 CGEDHN C#CC1CCN(Cc2cc(=O)oc3cc(CC)ccc23)CC1 ZINC000830333935 633851590 /nfs/dbraw/zinc/85/15/90/633851590.db2.gz QCQNKUBPJGTFBX-UHFFFAOYSA-N 0 3 295.382 3.201 20 30 CGEDHN N#CCCOCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830763896 633886247 /nfs/dbraw/zinc/88/62/47/633886247.db2.gz CGZMLINPVCAXBE-KRWDZBQOSA-N 0 3 282.387 3.310 20 30 CGEDHN C[C@H](NCCCCC#N)c1c(F)cccc1[N+](=O)[O-] ZINC000872031711 633950160 /nfs/dbraw/zinc/95/01/60/633950160.db2.gz LQKLJXSRJNQBIW-JTQLQIEISA-N 0 3 265.288 3.078 20 30 CGEDHN C#C[C@H]1CC[C@H](N[C@H]2CCCc3scnc32)CC1 ZINC000872139251 634062497 /nfs/dbraw/zinc/06/24/97/634062497.db2.gz ISTGFNODYLJBMQ-AVGNSLFASA-N 0 3 260.406 3.302 20 30 CGEDHN N#CCC[C@@H](C#N)CN[C@H](Cc1cccnc1)C1CCCC1 ZINC000872238634 634087039 /nfs/dbraw/zinc/08/70/39/634087039.db2.gz ZFEFLRADPUEVCN-FUHWJXTLSA-N 0 3 296.418 3.216 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H](Cc1cccnc1)C1CCCC1 ZINC000872238635 634087300 /nfs/dbraw/zinc/08/73/00/634087300.db2.gz ZFEFLRADPUEVCN-SJLPKXTDSA-N 0 3 296.418 3.216 20 30 CGEDHN COc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1C#N ZINC000834806495 634244674 /nfs/dbraw/zinc/24/46/74/634244674.db2.gz DFHOHAJFKKSNJJ-OAHLLOKOSA-N 0 3 294.354 3.050 20 30 CGEDHN C=CCC[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000834902531 634279264 /nfs/dbraw/zinc/27/92/64/634279264.db2.gz CKCOIIYJJXSUJN-ZFWWWQNUSA-N 0 3 263.381 3.068 20 30 CGEDHN C#Cc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC000834901590 634279313 /nfs/dbraw/zinc/27/93/13/634279313.db2.gz ACHATMLNQJCOKP-SFHVURJKSA-N 0 3 280.346 3.443 20 30 CGEDHN C[C@H](NN=C1CCCc2cc(N)ccc21)C(C)(C)C ZINC000834980603 634302928 /nfs/dbraw/zinc/30/29/28/634302928.db2.gz AQEUBCYDWYXKNN-NSHDSACASA-N 0 3 259.397 3.333 20 30 CGEDHN CSc1ccc(N=NC2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000834999994 634307392 /nfs/dbraw/zinc/30/73/92/634307392.db2.gz ZTBGBQXZFCJTJY-LLVKDONJSA-N 0 3 275.421 3.433 20 30 CGEDHN N#CC(C(=O)CC1CC(F)(F)C1)c1nc2ccccc2[nH]1 ZINC000835036398 634327676 /nfs/dbraw/zinc/32/76/76/634327676.db2.gz KCBZTCBXLNBWDI-SNVBAGLBSA-N 0 3 289.285 3.175 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC2(CCCCC2)CC1 ZINC000876641925 634873736 /nfs/dbraw/zinc/87/37/36/634873736.db2.gz QBAYIWGHEUJUMN-ZDUSSCGKSA-N 0 3 284.831 3.029 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1F)C(C)C ZINC000876962754 634938532 /nfs/dbraw/zinc/93/85/32/634938532.db2.gz VTGAZUVAXXEKHO-UONOGXRCSA-N 0 3 298.789 3.109 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000876975452 634942355 /nfs/dbraw/zinc/94/23/55/634942355.db2.gz HFEJDKZFEHUUGJ-ZIAGYGMSSA-N 0 3 284.831 3.028 20 30 CGEDHN CS[C@@H]1CCC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877035822 634958305 /nfs/dbraw/zinc/95/83/05/634958305.db2.gz JYJAHGWTZUPUGW-CHWSQXEVSA-N 0 3 295.839 3.370 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877137513 634999337 /nfs/dbraw/zinc/99/93/37/634999337.db2.gz WPBMVGMMBMDQGU-LLVKDONJSA-N 0 3 263.772 3.441 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000877230312 635015750 /nfs/dbraw/zinc/01/57/50/635015750.db2.gz YRXRIGGUNZQLMA-JTQLQIEISA-N 0 3 292.688 3.172 20 30 CGEDHN CCC(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877476280 635051168 /nfs/dbraw/zinc/05/11/68/635051168.db2.gz AEPZHNJODLFMBE-UHFFFAOYSA-N 0 3 251.761 3.132 20 30 CGEDHN CC(C)(CCC#N)CNCc1cc(C#N)cnc1Cl ZINC000877529893 635073955 /nfs/dbraw/zinc/07/39/55/635073955.db2.gz NWUFFGQSSMSSOE-UHFFFAOYSA-N 0 3 276.771 3.026 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCC2(F)F)c1 ZINC000877565636 635094261 /nfs/dbraw/zinc/09/42/61/635094261.db2.gz LLMCTNCVNUAFHO-NSHDSACASA-N 0 3 285.725 3.132 20 30 CGEDHN C[C@]1(NCc2cc(C#N)cnc2Cl)CC=CCC1 ZINC000877586233 635103455 /nfs/dbraw/zinc/10/34/55/635103455.db2.gz XDEUVEBFPWXNRT-AWEZNQCLSA-N 0 3 261.756 3.195 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1cc(C#N)cs1 ZINC000877703926 635154926 /nfs/dbraw/zinc/15/49/26/635154926.db2.gz GNWUIKISIOBLHV-UHFFFAOYSA-N 0 3 281.384 3.166 20 30 CGEDHN CCCCN(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877900044 635257960 /nfs/dbraw/zinc/25/79/60/635257960.db2.gz BHBQVYGOMWDZQY-QGZVFWFLSA-N 0 3 272.392 3.159 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CCCCCC1)c1ccccc1 ZINC000877942951 635281827 /nfs/dbraw/zinc/28/18/27/635281827.db2.gz UZGYNNZCOHYGNG-GOSISDBHSA-N 0 3 284.403 3.303 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000878451139 635514068 /nfs/dbraw/zinc/51/40/68/635514068.db2.gz HRJCPWSYRMPEKS-MLGOLLRUSA-N 0 3 273.355 3.203 20 30 CGEDHN COc1ccc(C#N)cc1CNC(C)(C)[C@H]1CCCCO1 ZINC000879407683 635779832 /nfs/dbraw/zinc/77/98/32/635779832.db2.gz QGQWNYGUUMMMOV-MRXNPFEDSA-N 0 3 288.391 3.004 20 30 CGEDHN C#CCCNC1(c2ccccc2Br)CCC1 ZINC000844350544 635876315 /nfs/dbraw/zinc/87/63/15/635876315.db2.gz IBSNLROVMUGECK-UHFFFAOYSA-N 0 3 278.193 3.441 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844433403 635899072 /nfs/dbraw/zinc/89/90/72/635899072.db2.gz FXSZHJZWONVCPO-CQSZACIVSA-N 0 3 262.303 3.179 20 30 CGEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(C(F)(F)F)nc1 ZINC000880098044 635913069 /nfs/dbraw/zinc/91/30/69/635913069.db2.gz FKIQZFNNILXKET-VHSXEESVSA-N 0 3 271.286 3.443 20 30 CGEDHN C=CCCC[C@H](NCc1n[nH]c(C)n1)c1ccccc1 ZINC000880389930 635992007 /nfs/dbraw/zinc/99/20/07/635992007.db2.gz LCXBQXYMIOVNFU-HNNXBMFYSA-N 0 3 270.380 3.300 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@@H]3SCCS[C@H]23)CCCC1 ZINC000846011688 636129254 /nfs/dbraw/zinc/12/92/54/636129254.db2.gz XPUJJBQUNCDHIM-FRRDWIJNSA-N 0 3 282.478 3.040 20 30 CGEDHN Cc1cccc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848398975 636566830 /nfs/dbraw/zinc/56/68/30/636566830.db2.gz HGDWMXUVKLQZKW-INIZCTEOSA-N 0 3 257.381 3.411 20 30 CGEDHN Fc1cc(F)cc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848403202 636567697 /nfs/dbraw/zinc/56/76/97/636567697.db2.gz OSMHHRAWOQDYNW-OAHLLOKOSA-N 0 3 279.334 3.381 20 30 CGEDHN Fc1cccc(N=NC2CCCN3CCCC[C@@H]23)c1F ZINC000848406318 636568538 /nfs/dbraw/zinc/56/85/38/636568538.db2.gz LVXMKMYCIWOKBN-AWEZNQCLSA-N 0 3 279.334 3.381 20 30 CGEDHN C=CCC[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000883187616 636571835 /nfs/dbraw/zinc/57/18/35/636571835.db2.gz RTLFTAXWFGVXFR-IAGOWNOFSA-N 0 3 288.366 3.301 20 30 CGEDHN C=CCC[C@H](NCc1ccc(Cl)cn1)[C@@H]1CCCO1 ZINC000883210599 636587679 /nfs/dbraw/zinc/58/76/79/636587679.db2.gz WJUINJFCBXIQAA-GJZGRUSLSA-N 0 3 280.799 3.338 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)N[C@H](C)c1ncnn1C ZINC000883218290 636592031 /nfs/dbraw/zinc/59/20/31/636592031.db2.gz XNKKWTSUJVDKCT-ZBFHGGJFSA-N 0 3 284.407 3.043 20 30 CGEDHN C=CCCCCCNCc1ncc(CN(C)C)s1 ZINC000848563357 636607789 /nfs/dbraw/zinc/60/77/89/636607789.db2.gz RZEABRXFRVFTHG-UHFFFAOYSA-N 0 3 267.442 3.041 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000848924705 636697789 /nfs/dbraw/zinc/69/77/89/636697789.db2.gz YJGFFSULJOIBNK-KRWDZBQOSA-N 0 3 293.414 3.334 20 30 CGEDHN N#CC(C(=O)CC1CCSCC1)c1nc2ccccc2[nH]1 ZINC000134964667 637058937 /nfs/dbraw/zinc/05/89/37/637058937.db2.gz WZILGPSHSLRWLO-GFCCVEGCSA-N 0 3 299.399 3.272 20 30 CGEDHN N#CC(C(=O)CCCF)c1nccc2ccccc21 ZINC000850985670 637211461 /nfs/dbraw/zinc/21/14/61/637211461.db2.gz LCPMUMCXDNKQFK-CYBMUJFWSA-N 0 3 256.280 3.161 20 30 CGEDHN CCOC1(C(=O)C(C#N)c2nccc3ccccc32)CCC1 ZINC000850986750 637211962 /nfs/dbraw/zinc/21/19/62/637211962.db2.gz RUQCSUHANDBWEM-OAHLLOKOSA-N 0 3 294.354 3.370 20 30 CGEDHN C=CCN(CC[C@@H]1COC(C)(C)O1)Cc1cccs1 ZINC000851712562 637471138 /nfs/dbraw/zinc/47/11/38/637471138.db2.gz QMFQQKCILLTSRJ-CYBMUJFWSA-N 0 3 281.421 3.278 20 30 CGEDHN CCC(CC)CN(CCC#N)CC[C@H]1COC(C)(C)O1 ZINC000851798644 637507105 /nfs/dbraw/zinc/50/71/05/637507105.db2.gz SILRVQJPUKYBIN-HNNXBMFYSA-N 0 3 282.428 3.180 20 30 CGEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886355527 637511240 /nfs/dbraw/zinc/51/12/40/637511240.db2.gz JWACMTHILZWRKL-SJORKVTESA-N 0 3 298.430 3.284 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ncccn2)C1 ZINC000886681067 637647823 /nfs/dbraw/zinc/64/78/23/637647823.db2.gz RKDKTPNJZOEPCQ-PBHICJAKSA-N 0 3 292.386 3.289 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000852587631 637683424 /nfs/dbraw/zinc/68/34/24/637683424.db2.gz ZQFOXEAJVUSCAK-VXGBXAGGSA-N 0 3 257.805 3.455 20 30 CGEDHN CCCCCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000301705685 637881439 /nfs/dbraw/zinc/88/14/39/637881439.db2.gz URVYEVDTLWBDRO-UHFFFAOYSA-N 0 3 267.335 3.346 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1cnn(-c2ccccc2)c1 ZINC000924627031 638379551 /nfs/dbraw/zinc/37/95/51/638379551.db2.gz RTCXQHZBJXQYLQ-AWEZNQCLSA-N 0 3 282.391 3.290 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(OCC2CC2)nc1 ZINC000924881421 638419076 /nfs/dbraw/zinc/41/90/76/638419076.db2.gz LRPULEWITAHDJF-ZDUSSCGKSA-N 0 3 287.407 3.288 20 30 CGEDHN COc1cccc2c1OCC[C@H]2N[C@H](C)CC(C)(C)C#N ZINC000925402447 638500016 /nfs/dbraw/zinc/50/00/16/638500016.db2.gz GFDXBVOKSASSFI-TZMCWYRMSA-N 0 3 288.391 3.437 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(CO)on1 ZINC000926592026 638789284 /nfs/dbraw/zinc/78/92/84/638789284.db2.gz QWSBSKAYDXTEBR-DZGCQCFKSA-N 0 3 286.375 3.005 20 30 CGEDHN C[C@@H]1CC2(CC(NCC3(C#N)CCCCC3)C2)CO1 ZINC000926713691 638802608 /nfs/dbraw/zinc/80/26/08/638802608.db2.gz UPTFVAPCNOQPRT-VQCLRJIVSA-N 0 3 262.397 3.008 20 30 CGEDHN CC[C@@H]1CO[C@H](C)CN1CCCCC1(C#N)CCC1 ZINC000929270310 638913747 /nfs/dbraw/zinc/91/37/47/638913747.db2.gz NLMXDVWUFBLDMD-HUUCEWRRSA-N 0 3 264.413 3.350 20 30 CGEDHN C=C[C@H](CC)CC(=O)Nc1ccccc1CN(C)C ZINC000930128360 638976692 /nfs/dbraw/zinc/97/66/92/638976692.db2.gz MQNSMHLXLIQWCA-CYBMUJFWSA-N 0 3 260.381 3.289 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000931288533 639130798 /nfs/dbraw/zinc/13/07/98/639130798.db2.gz MYGZCCCUHBRTKI-HIFRSBDPSA-N 0 3 287.407 3.019 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913925 639229033 /nfs/dbraw/zinc/22/90/33/639229033.db2.gz QLMPVLITSRVTLA-UWVGGRQHSA-N 0 3 264.266 3.045 20 30 CGEDHN N#Cc1cc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)ccc1F ZINC000931933446 639237039 /nfs/dbraw/zinc/23/70/39/639237039.db2.gz PDDULRPLRNEHCD-PKOBYXMFSA-N 0 3 292.357 3.471 20 30 CGEDHN C=C(CC)CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933712735 639481957 /nfs/dbraw/zinc/48/19/57/639481957.db2.gz KTIJBJYUYOGYOA-LLVKDONJSA-N 0 3 285.313 3.251 20 30 CGEDHN C#CCN(Cc1cc(=O)oc2cc(C)ccc12)C1CCCC1 ZINC000155782299 639949899 /nfs/dbraw/zinc/94/98/99/639949899.db2.gz IMGQXPBZZPANKS-UHFFFAOYSA-N 0 3 295.382 3.479 20 30 CGEDHN N#CC(C(=O)CCc1cccs1)c1nc2ccccc2[nH]1 ZINC000078733673 640338098 /nfs/dbraw/zinc/33/80/98/640338098.db2.gz CYAAPTJPUADYLG-LBPRGKRZSA-N 0 3 295.367 3.433 20 30 CGEDHN C#CCN(C)[C@H](C)c1cccc(Br)c1 ZINC000194972312 640561373 /nfs/dbraw/zinc/56/13/73/640561373.db2.gz ZXQOXOLVBUDDNA-SNVBAGLBSA-N 0 3 252.155 3.075 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CCSC(C)(C)C2)cc1 ZINC000093504386 640773420 /nfs/dbraw/zinc/77/34/20/640773420.db2.gz PNXCIZPBSLOKTC-ZDUSSCGKSA-N 0 3 290.432 3.305 20 30 CGEDHN C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(F)ccc1[O-] ZINC000094617637 640800423 /nfs/dbraw/zinc/80/04/23/640800423.db2.gz YKXFMFWDPLYOAI-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)ccc1[O-] ZINC000094617640 640800429 /nfs/dbraw/zinc/80/04/29/640800429.db2.gz WWFSEPKOOJNHOA-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2occc2CC)C1 ZINC001008433380 640951010 /nfs/dbraw/zinc/95/10/10/640951010.db2.gz NMSMBVALFFNAPL-HNNXBMFYSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001015760147 640985055 /nfs/dbraw/zinc/98/50/55/640985055.db2.gz LGRNQPSWHBQGBC-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001017366697 641011844 /nfs/dbraw/zinc/01/18/44/641011844.db2.gz GWTZNEFZLUQLEK-IYBDPMFKSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001017583214 641014513 /nfs/dbraw/zinc/01/45/13/641014513.db2.gz JIXHLAXQBPVGRS-IYBDPMFKSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)CC ZINC001018130620 641019429 /nfs/dbraw/zinc/01/94/29/641019429.db2.gz RYOBIGWBTGNFDZ-KYHPRHEASA-N 0 3 290.451 3.064 20 30 CGEDHN Cc1nc(NC(C)(C)c2ccc(C#N)cc2)cc(N(C)C)n1 ZINC001156430289 805691723 /nfs/dbraw/zinc/69/17/23/805691723.db2.gz VAIWFZVXHIKMLD-UHFFFAOYSA-N 0 3 295.390 3.070 20 30 CGEDHN Cc1cc(C)nc(NCCc2ccc(C#N)cc2)c1 ZINC001156831431 805738779 /nfs/dbraw/zinc/73/87/79/805738779.db2.gz VYOQHBFDRHDSNA-UHFFFAOYSA-N 0 3 251.333 3.225 20 30 CGEDHN CCCCCCCC[C@@H](O)CN[C@H]1CCCCC1=O ZINC001252134897 806020654 /nfs/dbraw/zinc/02/06/54/806020654.db2.gz UDQAJCWOEDGRIA-CABCVRRESA-N 0 3 269.429 3.199 20 30 CGEDHN CC(=Nc1sc2c(c1C#N)CCNC2)c1ccccc1 ZINC001159159880 806053442 /nfs/dbraw/zinc/05/34/42/806053442.db2.gz SHTDETXQHJHWIU-UHFFFAOYSA-N 0 3 281.384 3.348 20 30 CGEDHN C=C[C@](C)(O)CNCc1c(C)cc(Cl)cc1Cl ZINC001252574343 806073199 /nfs/dbraw/zinc/07/31/99/806073199.db2.gz NUKJVRVZWHRGLE-ZDUSSCGKSA-N 0 3 274.191 3.328 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](c1cccnc1Cl)C1CC1 ZINC001252623647 806093274 /nfs/dbraw/zinc/09/32/74/806093274.db2.gz OAPSPRXRBUXGTB-OCCSQVGLSA-N 0 3 280.799 3.103 20 30 CGEDHN CCCCCCCCCC[C@H](O)CN1CC2(COC2)C1 ZINC001252980330 806144912 /nfs/dbraw/zinc/14/49/12/806144912.db2.gz RNIPVRVKAHAUCV-INIZCTEOSA-N 0 3 283.456 3.210 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ncccc1C ZINC001253228210 806183772 /nfs/dbraw/zinc/18/37/72/806183772.db2.gz RFUQKLBRZJSOHN-INIZCTEOSA-N 0 3 276.424 3.367 20 30 CGEDHN C=CCCCCCC[C@H](O)CN(C)Cc1cccnc1 ZINC001253226953 806184624 /nfs/dbraw/zinc/18/46/24/806184624.db2.gz CVHPLDIPLOAMFI-KRWDZBQOSA-N 0 3 276.424 3.401 20 30 CGEDHN C=C[C@@H](O)CN1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001253578402 806264044 /nfs/dbraw/zinc/26/40/44/806264044.db2.gz ANEFNECCWPTYOK-NWDGAFQWSA-N 0 3 286.202 3.330 20 30 CGEDHN C=CCN(CC=C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254558222 806449710 /nfs/dbraw/zinc/44/97/10/806449710.db2.gz DTHJRMYVUSTOIW-ZDUSSCGKSA-N 0 3 260.337 3.200 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(F)c(Br)c2)C1 ZINC001254636749 806466738 /nfs/dbraw/zinc/46/67/38/806466738.db2.gz ZWFCUFKJMJOOGJ-MWLCHTKSSA-N 0 3 297.171 3.370 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1cc(F)cc(F)c1 ZINC001254644610 806470230 /nfs/dbraw/zinc/47/02/30/806470230.db2.gz UBILZIGUMPDOSP-BFVZDQMLSA-N 0 3 250.292 3.308 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@@H](C#N)C1)CCO2 ZINC001254645152 806470416 /nfs/dbraw/zinc/47/04/16/806470416.db2.gz AGWHDRFODMYQDA-UMVBOHGHSA-N 0 3 256.349 3.101 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCOc3ccc(Cl)cc32)C1 ZINC001254652164 806474288 /nfs/dbraw/zinc/47/42/88/806474288.db2.gz BAZGSEDSCSBHMX-MPKXVKKWSA-N 0 3 276.767 3.445 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](Sc3ccncc3)C2)C1 ZINC001254669911 806479746 /nfs/dbraw/zinc/47/97/46/806479746.db2.gz WUVPRNHTBBGAHK-IJEWVQPXSA-N 0 3 287.432 3.330 20 30 CGEDHN CC[C@@H](CC#N)NCCc1cn(C)c2ccccc12 ZINC001255156289 806556547 /nfs/dbraw/zinc/55/65/47/806556547.db2.gz ZIUNXNAKWLIWFC-AWEZNQCLSA-N 0 3 255.365 3.003 20 30 CGEDHN CC[C@H](CC#N)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC001255155714 806556650 /nfs/dbraw/zinc/55/66/50/806556650.db2.gz SVAZILZBLDKYDF-MRXNPFEDSA-N 0 3 289.398 3.072 20 30 CGEDHN CC[C@@H](CC#N)NC1([C@@H]2CCOC(C)(C)C2)CC1 ZINC001255164837 806563241 /nfs/dbraw/zinc/56/32/41/806563241.db2.gz RPYUIOROYNADPG-OLZOCXBDSA-N 0 3 250.386 3.006 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(Br)nc1 ZINC000379599380 799352328 /nfs/dbraw/zinc/35/23/28/799352328.db2.gz JIGFTWZIAKFCAS-BDAKNGLRSA-N 0 3 255.159 3.069 20 30 CGEDHN N#CCc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000399130105 799535511 /nfs/dbraw/zinc/53/55/11/799535511.db2.gz WMUSNKDHOXFASE-ZDUSSCGKSA-N 0 3 268.282 3.137 20 30 CGEDHN COc1cccc(CNCc2ccc(C)c(C#N)c2)c1 ZINC000701829913 799895933 /nfs/dbraw/zinc/89/59/33/799895933.db2.gz LTQZREFODIBVPH-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN C#CCSCCNCc1ccsc1C(F)(F)F ZINC000704369225 799936777 /nfs/dbraw/zinc/93/67/77/799936777.db2.gz NVBIIOUTEIORFB-UHFFFAOYSA-N 0 3 279.352 3.223 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@H]3CCCC[C@H]32)c1 ZINC000721559299 800294613 /nfs/dbraw/zinc/29/46/13/800294613.db2.gz LTPSCBBSWQCLQB-HZPDHXFCSA-N 0 3 255.365 3.108 20 30 CGEDHN C[C@@H](CNc1nc(Cl)c(C#N)s1)N1CCC[C@@H](C)C1 ZINC000804350357 800397430 /nfs/dbraw/zinc/39/74/30/800397430.db2.gz ZPBHGOPKOLSOAH-ZJUUUORDSA-N 0 3 298.843 3.200 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C)s2)CC1 ZINC001005057581 800698441 /nfs/dbraw/zinc/69/84/41/800698441.db2.gz FXJPLPOKSJUSAL-UHFFFAOYSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001023146513 800704721 /nfs/dbraw/zinc/70/47/21/800704721.db2.gz ZDPVOAJDPWREOA-SQVIUHEXSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001023628594 800713175 /nfs/dbraw/zinc/71/31/75/800713175.db2.gz CYDRDONQJUICIC-NSHDSACASA-N 0 3 298.839 3.029 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773803 800737982 /nfs/dbraw/zinc/73/79/82/800737982.db2.gz LDRSZQYRAVTNNN-QGZVFWFLSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001028272749 800838126 /nfs/dbraw/zinc/83/81/26/800838126.db2.gz ITUAQIHUAFMMNW-CQSZACIVSA-N 0 3 294.345 3.004 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028283722 800840753 /nfs/dbraw/zinc/84/07/53/800840753.db2.gz OFTDVGLUGLZDOE-KRWDZBQOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033076077 800951978 /nfs/dbraw/zinc/95/19/78/800951978.db2.gz KYFRGTLZNRPTCP-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001033152345 800953518 /nfs/dbraw/zinc/95/35/18/800953518.db2.gz QPJVULVSXZINLW-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033109110 800954306 /nfs/dbraw/zinc/95/43/06/800954306.db2.gz WXTULSSPEMSTRL-CQSZACIVSA-N 0 3 292.448 3.087 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252793 800955619 /nfs/dbraw/zinc/95/56/19/800955619.db2.gz JVZGWNHMWJWPTL-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033734941 800980386 /nfs/dbraw/zinc/98/03/86/800980386.db2.gz UUZFTPDYZGLVIY-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033927822 800988574 /nfs/dbraw/zinc/98/85/74/800988574.db2.gz QNRUECBSFOTAKK-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034101436 801006205 /nfs/dbraw/zinc/00/62/05/801006205.db2.gz LJESGDDCLIGDDR-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034274334 801014775 /nfs/dbraw/zinc/01/47/75/801014775.db2.gz SZKBSVMNQCHCKV-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001038774891 801134247 /nfs/dbraw/zinc/13/42/47/801134247.db2.gz BQFZMXHQWCYLBD-LBPRGKRZSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccoc1CCC ZINC001038910757 801135492 /nfs/dbraw/zinc/13/54/92/801135492.db2.gz AWACFAGWSJRUDE-AWEZNQCLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001038914939 801135561 /nfs/dbraw/zinc/13/55/61/801135561.db2.gz SLOMVPCOVKIRID-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001039057816 801144245 /nfs/dbraw/zinc/14/42/45/801144245.db2.gz YCXXXZDZAOWTEV-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001039369703 801160639 /nfs/dbraw/zinc/16/06/39/801160639.db2.gz BVUMGSBHADCNDQ-CVEARBPZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039823025 801166712 /nfs/dbraw/zinc/16/67/12/801166712.db2.gz NBWYVIMIMQREGA-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001045647470 801284613 /nfs/dbraw/zinc/28/46/13/801284613.db2.gz GSFWDCIBUUFASH-HUUCEWRRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001045648741 801285248 /nfs/dbraw/zinc/28/52/48/801285248.db2.gz AWXONBJZLHVTBT-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C1CCCC1 ZINC001049834754 801389755 /nfs/dbraw/zinc/38/97/55/801389755.db2.gz DELJPWXPYPUAPL-HYVNUMGLSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)ccc1C ZINC001049862552 801391550 /nfs/dbraw/zinc/39/15/50/801391550.db2.gz IOFQQVCTLHCQGU-QZTJIDSGSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)cc(C)c1 ZINC001049863196 801392058 /nfs/dbraw/zinc/39/20/58/801392058.db2.gz LSUSDIKXXNKXGV-MSOLQXFVSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2C1 ZINC001054253553 801482333 /nfs/dbraw/zinc/48/23/33/801482333.db2.gz CMULXIDEWRCPBY-KDOFPFPSSA-N 0 3 298.430 3.241 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(Cl)o2)CC[C@@H]1C ZINC001071352171 801532165 /nfs/dbraw/zinc/53/21/65/801532165.db2.gz NQFMDWIJHCPVLM-NWDGAFQWSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2cscc2C)CC[C@H]1C ZINC001071399483 801534290 /nfs/dbraw/zinc/53/42/90/801534290.db2.gz UHNFIDIRKUPYRF-ZIAGYGMSSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(CC=C(C)C)C2)C1 ZINC001071804160 801553561 /nfs/dbraw/zinc/55/35/61/801553561.db2.gz XQZHKEXNUCJCFG-HOTGVXAUSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072112654 801564859 /nfs/dbraw/zinc/56/48/59/801564859.db2.gz DEWCFFNIXKCZPG-VXGBXAGGSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001076523833 801619058 /nfs/dbraw/zinc/61/90/58/801619058.db2.gz MJYHUAUHPFADPS-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCC3CCCCC3)[C@@H]2C1 ZINC001076528563 801619303 /nfs/dbraw/zinc/61/93/03/801619303.db2.gz NPYLHGNIKSUQSO-DLBZAZTESA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001079914591 801648402 /nfs/dbraw/zinc/64/84/02/801648402.db2.gz URFMJKYPZRMRPI-ZWNOBZJWSA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C ZINC001085465374 801689777 /nfs/dbraw/zinc/68/97/77/801689777.db2.gz ALWKZXSCIZGSNX-MRXNPFEDSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085953775 801713461 /nfs/dbraw/zinc/71/34/61/801713461.db2.gz KBPIPCRIACFRGX-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001086468434 801729442 /nfs/dbraw/zinc/72/94/42/801729442.db2.gz BVADFFGVJBWKDK-IHRRRGAJSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](C)C2CC2)C1 ZINC001088288862 801781076 /nfs/dbraw/zinc/78/10/76/801781076.db2.gz DJPLUICWAGGVLE-ZFWWWQNUSA-N 0 3 298.858 3.146 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054290 801817766 /nfs/dbraw/zinc/81/77/66/801817766.db2.gz JQOFGVOPWLMFEH-RYRKJORJSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001089690725 801849218 /nfs/dbraw/zinc/84/92/18/801849218.db2.gz DBBLOTTWSIIRCV-OWCLPIDISA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630740 801849622 /nfs/dbraw/zinc/84/96/22/801849622.db2.gz WVBRHVCSQGNEMK-CABCVRRESA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CCC1)C2 ZINC001097586567 801899253 /nfs/dbraw/zinc/89/92/53/801899253.db2.gz UAKDTVJXPMSUKU-OAGGEKHMSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(=C)CC1)C2 ZINC001097789517 801905321 /nfs/dbraw/zinc/90/53/21/801905321.db2.gz SMKJJIYRDBYCCP-ZACQAIPSSA-N 0 3 288.435 3.030 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001098983830 801924843 /nfs/dbraw/zinc/92/48/43/801924843.db2.gz UJRVAURYSRZBDH-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001099122351 801931014 /nfs/dbraw/zinc/93/10/14/801931014.db2.gz YOQRNZIKRMNJBR-HOCLYGCPSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCC1CC1 ZINC001099189840 801931483 /nfs/dbraw/zinc/93/14/83/801931483.db2.gz XVHYSTYSVZBNMW-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001099175084 801931946 /nfs/dbraw/zinc/93/19/46/801931946.db2.gz DTJZALPRHQTGRX-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC(C)C ZINC001099286370 801936006 /nfs/dbraw/zinc/93/60/06/801936006.db2.gz VPFHUNSABUEHMQ-HOTGVXAUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102222803 802000242 /nfs/dbraw/zinc/00/02/42/802000242.db2.gz GWPCSJMAJTVODK-JLVOYYQZSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC2CCC2)C1 ZINC001102824254 802021972 /nfs/dbraw/zinc/02/19/72/802021972.db2.gz MDECBDZXOVFZCN-IUODEOHRSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1C ZINC001104498591 802048766 /nfs/dbraw/zinc/04/87/66/802048766.db2.gz FFIVSZNFRHYYTO-TZMCWYRMSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC(C)C)CC1)C2 ZINC001109387939 802114921 /nfs/dbraw/zinc/11/49/21/802114921.db2.gz HHWSMSAMKDPBOI-PMPSAXMXSA-N 0 3 290.451 3.110 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC001112821191 802192138 /nfs/dbraw/zinc/19/21/38/802192138.db2.gz PHHBHXBOHBGNBG-HNNXBMFYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCCCC)CC1 ZINC001113603751 802230997 /nfs/dbraw/zinc/23/09/97/802230997.db2.gz AZXQIBNPHIQLLQ-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN N#CC1(CN[C@H]2CCO[C@H](c3ccccc3)C2)CCC1 ZINC001256783980 806977180 /nfs/dbraw/zinc/97/71/80/806977180.db2.gz FQKAOGGIHJVOOJ-HOTGVXAUSA-N 0 3 270.376 3.190 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCC2CC2)C1 ZINC001116554727 802377653 /nfs/dbraw/zinc/37/76/53/802377653.db2.gz CJAPCIRXGCOTFQ-QGZVFWFLSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC)c1ccc(F)cc1F ZINC001121961466 802854040 /nfs/dbraw/zinc/85/40/40/802854040.db2.gz JTIMEGWAUWMSEL-HUUCEWRRSA-N 0 3 296.361 3.216 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NC1CCC(OC)CC1 ZINC001122162344 802862066 /nfs/dbraw/zinc/86/20/66/802862066.db2.gz ROTZESQOVFDEIQ-UYSNPLJNSA-N 0 3 298.471 3.138 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1ccsc1Cl ZINC001123234640 802920170 /nfs/dbraw/zinc/92/01/70/802920170.db2.gz ZDGPUXXCTSQHIS-SECBINFHSA-N 0 3 279.752 3.108 20 30 CGEDHN N#Cc1cnccc1-c1cncc(CN2CCCCC2)c1 ZINC001244336542 803312040 /nfs/dbraw/zinc/31/20/40/803312040.db2.gz BJOMTLILVKAHJS-UHFFFAOYSA-N 0 3 278.359 3.001 20 30 CGEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001131899947 803356382 /nfs/dbraw/zinc/35/63/82/803356382.db2.gz RGQWDKMGVXTCJH-RDJZCZTQSA-N 0 3 286.419 3.122 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131943432 803360503 /nfs/dbraw/zinc/36/05/03/803360503.db2.gz PJOKLLPOPFVBQX-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132060124 803371216 /nfs/dbraw/zinc/37/12/16/803371216.db2.gz ACNVGKVUTHIBEE-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(C)C)CC[C@H]1C ZINC001132065464 803371969 /nfs/dbraw/zinc/37/19/69/803371969.db2.gz USDLVRKSXYUBTC-HUUCEWRRSA-N 0 3 280.456 3.214 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001132667389 803425183 /nfs/dbraw/zinc/42/51/83/803425183.db2.gz KPBVPRKQNJDABJ-KGLIPLIRSA-N 0 3 292.398 3.195 20 30 CGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C\Cl ZINC001133883774 803509133 /nfs/dbraw/zinc/50/91/33/803509133.db2.gz GIWWDDVWLRRGRH-XGFGGAMFSA-N 0 3 293.238 3.145 20 30 CGEDHN CC(C)(C)C#CC(=O)N(CCN1CCCC1)c1ccccc1 ZINC001136887622 803659366 /nfs/dbraw/zinc/65/93/66/803659366.db2.gz WVSMUHHXFKRCBE-UHFFFAOYSA-N 0 3 298.430 3.165 20 30 CGEDHN CN(Cc1c[nH]c2ncccc12)Cc1cccc(C#N)c1 ZINC001137405657 803730874 /nfs/dbraw/zinc/73/08/74/803730874.db2.gz KYQVHXVOYKGWFM-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C#CCN(C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137902868 803798352 /nfs/dbraw/zinc/79/83/52/803798352.db2.gz VRDRFXJCZONYPZ-UHFFFAOYSA-N 0 3 289.382 3.391 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1[O-] ZINC001138625439 803982841 /nfs/dbraw/zinc/98/28/41/803982841.db2.gz KXFBYLSNVNTLIY-WMLDXEAASA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1[O-] ZINC001138625439 803982845 /nfs/dbraw/zinc/98/28/45/803982845.db2.gz KXFBYLSNVNTLIY-WMLDXEAASA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](OCC)C2)c1[O-] ZINC001138629150 803984538 /nfs/dbraw/zinc/98/45/38/803984538.db2.gz PZLAOYFGAKPJRG-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](OCC)C2)c1[O-] ZINC001138629150 803984547 /nfs/dbraw/zinc/98/45/47/803984547.db2.gz PZLAOYFGAKPJRG-INIZCTEOSA-N 0 3 275.392 3.122 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC001138664928 803997900 /nfs/dbraw/zinc/99/79/00/803997900.db2.gz AUYGBQOTDFTARS-AEFFLSMTSA-N 0 3 287.403 3.252 20 30 CGEDHN C#CCN(C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138918274 804071137 /nfs/dbraw/zinc/07/11/37/804071137.db2.gz AFJAKEPOQIZJHS-UHFFFAOYSA-N 0 3 262.356 3.397 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001139029013 804112750 /nfs/dbraw/zinc/11/27/50/804112750.db2.gz NGUZUXWIEHEVAS-MAUKXSAKSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)cn1)C1CCCCC1 ZINC001139496143 804195952 /nfs/dbraw/zinc/19/59/52/804195952.db2.gz HITUPUMCKZNCDA-UHFFFAOYSA-N 0 3 288.391 3.189 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001139646286 804241528 /nfs/dbraw/zinc/24/15/28/804241528.db2.gz NPWADCICENCQTQ-KBPBESRZSA-N 0 3 258.340 3.319 20 30 CGEDHN CCN(Cc1c[nH]c2c1cccc2C#N)Cc1ccncc1 ZINC001139701880 804257814 /nfs/dbraw/zinc/25/78/14/804257814.db2.gz RNLQPOWHWOQQEA-UHFFFAOYSA-N 0 3 290.370 3.457 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2c1cccc2C#N ZINC001139702961 804258680 /nfs/dbraw/zinc/25/86/80/804258680.db2.gz DQHUJTCUGXMGKA-UHFFFAOYSA-N 0 3 251.333 3.214 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@H]4CCCO[C@H]4C3)c[nH]c21 ZINC001139704472 804260900 /nfs/dbraw/zinc/26/09/00/804260900.db2.gz VVIYQKDFEMOOMF-DYVFJYSZSA-N 0 3 295.386 3.040 20 30 CGEDHN CCCCCCCC[C@H](CCC)N[C@@H]1CNCCC1=O ZINC001246292993 804262443 /nfs/dbraw/zinc/26/24/43/804262443.db2.gz OMAZFAHUZZZZRA-JKSUJKDBSA-N 0 3 282.472 3.426 20 30 CGEDHN COC(C)(C)[C@H]1CCCN1Cc1cc(F)cc(C#N)c1 ZINC001139875657 804308917 /nfs/dbraw/zinc/30/89/17/804308917.db2.gz YOLCDXAJAWLVBE-OAHLLOKOSA-N 0 3 276.355 3.087 20 30 CGEDHN O=C1C=C2CN(Cc3cc(F)cc(Cl)c3)CCC2S1 ZINC001140537446 804454733 /nfs/dbraw/zinc/45/47/33/804454733.db2.gz SLEJPCHIHTVINO-CYBMUJFWSA-N 0 3 297.782 3.253 20 30 CGEDHN COc1ccccc1C[C@@H](C)N(C)Cc1ccc(C#N)nc1 ZINC001140546847 804458229 /nfs/dbraw/zinc/45/82/29/804458229.db2.gz WTUNWZLVIWXFLX-CQSZACIVSA-N 0 3 295.386 3.025 20 30 CGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2Cl)CC[C@]1(C)O ZINC001140808253 804525667 /nfs/dbraw/zinc/52/56/67/804525667.db2.gz NORONLKCQBYPPI-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN Fc1ccc2occ(CN3CCC(S)CC3)c2c1 ZINC001141854580 804673807 /nfs/dbraw/zinc/67/38/07/804673807.db2.gz HPXYGECWZXCJTA-UHFFFAOYSA-N 0 3 265.353 3.466 20 30 CGEDHN C#C[C@H]1CCCN(Cc2coc3ccc(F)cc23)C1 ZINC001141854646 804674299 /nfs/dbraw/zinc/67/42/99/804674299.db2.gz KGKPGMNQMWFJQO-LBPRGKRZSA-N 0 3 257.308 3.417 20 30 CGEDHN C#CC1CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249258156 805122024 /nfs/dbraw/zinc/12/20/24/805122024.db2.gz FENSHGYNBREZFS-UHFFFAOYSA-N 0 3 297.398 3.422 20 30 CGEDHN C#CC[C@]1(c2nc(-c3ccc(C(C)C)cc3)no2)CCCN1 ZINC001249351799 805132967 /nfs/dbraw/zinc/13/29/67/805132967.db2.gz JLISLCZHSYBATA-GOSISDBHSA-N 0 3 295.386 3.462 20 30 CGEDHN Cc1cc(NC2=CC[C@@H](N3CCOCC3)CC2)ccc1C#N ZINC001249558781 805175900 /nfs/dbraw/zinc/17/59/00/805175900.db2.gz BESRZPGZUZPXSB-GOSISDBHSA-N 0 3 297.402 3.047 20 30 CGEDHN CCCCCCCCC(=O)NCCNC/C=C\Cl ZINC001148727692 805206565 /nfs/dbraw/zinc/20/65/65/805206565.db2.gz FZFWSUBVTPNUFF-NTMALXAHSA-N 0 3 274.836 3.195 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001153854622 805419184 /nfs/dbraw/zinc/41/91/84/805419184.db2.gz MEZKKQBBYCHIHA-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001154605773 805467770 /nfs/dbraw/zinc/46/77/70/805467770.db2.gz QMFACHJDHHEIMD-CYBMUJFWSA-N 0 3 294.464 3.287 20 30 CGEDHN C=C[C@H](C)[C@H](C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166692579 807084447 /nfs/dbraw/zinc/08/44/47/807084447.db2.gz CGBKTOBKTBNQDN-JSGCOSHPSA-N 0 3 298.858 3.073 20 30 CGEDHN CCCCCCCCC[C@@H](C)N[C@H]1C=CS(=O)(=O)C1 ZINC001258229031 807376313 /nfs/dbraw/zinc/37/63/13/807376313.db2.gz LTVCYBMOMTZGRW-CABCVRRESA-N 0 3 287.469 3.416 20 30 CGEDHN CC1(C)CCC[C@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001258276421 807389275 /nfs/dbraw/zinc/38/92/75/807389275.db2.gz JKPGYDNKCKGVCQ-NSHDSACASA-N 0 3 265.788 3.409 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)NCc1cc(C#N)co1 ZINC001168475505 807430201 /nfs/dbraw/zinc/43/02/01/807430201.db2.gz YVLWUADMITYPRX-NSHDSACASA-N 0 3 258.296 3.011 20 30 CGEDHN C#CC[C@H](NCc1ccc2nonc2c1)c1ccccc1 ZINC001168724627 807496783 /nfs/dbraw/zinc/49/67/83/807496783.db2.gz YUZZEWOMKRSZRF-HNNXBMFYSA-N 0 3 277.327 3.077 20 30 CGEDHN C[C@@H]1C[C@@H](NCC#CC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC001168828234 807521711 /nfs/dbraw/zinc/52/17/11/807521711.db2.gz FPGMQASCVXTAMR-ZIAGYGMSSA-N 0 3 294.439 3.023 20 30 CGEDHN CCCCCCC[C@@H](CC(C)C)NC1CS(=O)(=O)C1 ZINC001258713613 807565434 /nfs/dbraw/zinc/56/54/34/807565434.db2.gz BQFQKOBJRYTEDD-AWEZNQCLSA-N 0 3 289.485 3.148 20 30 CGEDHN CC[C@H](C)C[C@H](CC)NCc1ncc(C#N)s1 ZINC001258785968 807611893 /nfs/dbraw/zinc/61/18/93/807611893.db2.gz YANUBNORXHYDHU-QWRGUYRKSA-N 0 3 251.399 3.319 20 30 CGEDHN C=CC[C@@H](C)N1CCN([C@H](C)c2ccsc2)CC1 ZINC001169540953 807660799 /nfs/dbraw/zinc/66/07/99/807660799.db2.gz TUXOROGDXFQPOF-ZIAGYGMSSA-N 0 3 264.438 3.391 20 30 CGEDHN COc1ccccc1C[C@@H](C)N1CCC(C)(C#N)CC1 ZINC001258894209 807668019 /nfs/dbraw/zinc/66/80/19/807668019.db2.gz QZSVEOFIMJBXEM-CQSZACIVSA-N 0 3 272.392 3.252 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(C(F)(F)F)c(C)c1 ZINC001261366625 807739307 /nfs/dbraw/zinc/73/93/07/807739307.db2.gz ADDGPGIVRODPRN-LBPRGKRZSA-N 0 3 273.298 3.304 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(F)c(N)c1 ZINC001262554146 807870021 /nfs/dbraw/zinc/87/00/21/807870021.db2.gz TXWMYYLTGPRDAY-AWEZNQCLSA-N 0 3 295.402 3.424 20 30 CGEDHN CN(C)/C=N/c1ccc(NCOc2ccccc2)cc1C#N ZINC001170809219 807912283 /nfs/dbraw/zinc/91/22/83/807912283.db2.gz GUHWGWVFSBKHLL-XDHOZWIPSA-N 0 3 294.358 3.228 20 30 CGEDHN C=C[C@@H](CC)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001263663504 807990451 /nfs/dbraw/zinc/99/04/51/807990451.db2.gz FVMRYOOYFDNMMT-ONGXEEELSA-N 0 3 264.275 3.138 20 30 CGEDHN C=CCN1CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171129185 807992979 /nfs/dbraw/zinc/99/29/79/807992979.db2.gz JWXXTYZJKDYSAO-KRWDZBQOSA-N 0 3 290.838 3.001 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCCCC)CCC1 ZINC001263810508 808005838 /nfs/dbraw/zinc/00/58/38/808005838.db2.gz XZOBKFHUAHAHKK-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@H](C(F)(F)F)C1 ZINC001171221662 808012960 /nfs/dbraw/zinc/01/29/60/808012960.db2.gz RPKMAOGDZKIGNQ-FZMZJTMJSA-N 0 3 282.309 3.373 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCOc2ccccc2C1 ZINC001171222017 808013081 /nfs/dbraw/zinc/01/30/81/808013081.db2.gz ZMHXIQMHVAJMJU-HNNXBMFYSA-N 0 3 292.382 3.384 20 30 CGEDHN N#CC1(CN[C@H]2CCc3c(F)cc(F)cc3C2)CCCC1 ZINC001171336685 808030505 /nfs/dbraw/zinc/03/05/05/808030505.db2.gz KXKWTXVLAPLNRW-AWEZNQCLSA-N 0 3 290.357 3.496 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C1CCC1 ZINC001264366287 808061731 /nfs/dbraw/zinc/06/17/31/808061731.db2.gz AGSFSBSKAAREHH-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001265221314 808121285 /nfs/dbraw/zinc/12/12/85/808121285.db2.gz XRQLHSVYLBFIMZ-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cccs2)C1 ZINC001265267684 808124250 /nfs/dbraw/zinc/12/42/50/808124250.db2.gz AJSRJWNKDLCCQZ-CQSZACIVSA-N 0 3 292.448 3.299 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001265403575 808139614 /nfs/dbraw/zinc/13/96/14/808139614.db2.gz LXZOONRQPQHRGB-OAGGEKHMSA-N 0 3 278.440 3.064 20 30 CGEDHN CC#CCN[C@H](C)CNC(=O)C1CCC(CCCC)CC1 ZINC001265861646 808188758 /nfs/dbraw/zinc/18/87/58/808188758.db2.gz UCHXYEGDLKFNFS-KLAILNCOSA-N 0 3 292.467 3.101 20 30 CGEDHN C#CCN([C@H]1COC(C)(C)C1)[C@@H]1CCc2ccccc21 ZINC001172287433 808214812 /nfs/dbraw/zinc/21/48/12/808214812.db2.gz VEDUYOJSYLCPJF-NVXWUHKLSA-N 0 3 269.388 3.177 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1nc2ccccc2o1 ZINC001172293889 808217324 /nfs/dbraw/zinc/21/73/24/808217324.db2.gz YOXYPFJYVJHTGU-ZDUSSCGKSA-N 0 3 291.354 3.420 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cnccc1Cl ZINC001172293982 808217901 /nfs/dbraw/zinc/21/79/01/808217901.db2.gz ZMPZAGIEOAFDNX-GFCCVEGCSA-N 0 3 285.778 3.327 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccoc1C1CC1 ZINC001266170518 808222468 /nfs/dbraw/zinc/22/24/68/808222468.db2.gz VTQTVXNCOCCUMN-NSHDSACASA-N 0 3 296.798 3.008 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)CCCc1sccc1C ZINC001266354515 808248219 /nfs/dbraw/zinc/24/82/19/808248219.db2.gz BKSXQORQHPUJRY-UHFFFAOYSA-N 0 3 294.464 3.003 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001266803498 808317412 /nfs/dbraw/zinc/31/74/12/808317412.db2.gz IBALDAGASHHHAZ-ZDUSSCGKSA-N 0 3 292.398 3.147 20 30 CGEDHN CC(C)OCC[C@@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001172442699 808318853 /nfs/dbraw/zinc/31/88/53/808318853.db2.gz JNNVBYZAKILHJS-CQSZACIVSA-N 0 3 272.392 3.120 20 30 CGEDHN C[C@@H](CCCC#N)NCc1cc(F)cc(F)c1F ZINC001172480285 808343300 /nfs/dbraw/zinc/34/33/00/808343300.db2.gz NYZURSRVHHXJMW-VIFPVBQESA-N 0 3 256.271 3.276 20 30 CGEDHN COc1cc(F)c(CN[C@@H](C)CCCC#N)c(F)c1 ZINC001172483921 808345922 /nfs/dbraw/zinc/34/59/22/808345922.db2.gz WJKBIXBMQLNRDH-JTQLQIEISA-N 0 3 268.307 3.145 20 30 CGEDHN CCCCCCCC[C@H](CC)n1[n-]c(=O)nc1C[NH3+] ZINC001172503577 808358651 /nfs/dbraw/zinc/35/86/51/808358651.db2.gz RZHYZYSVOZIUCG-LBPRGKRZSA-N 0 3 268.405 3.144 20 30 CGEDHN CCCCCCCC[C@H](CC)n1[nH]c(=O)nc1CN ZINC001172503577 808358661 /nfs/dbraw/zinc/35/86/61/808358661.db2.gz RZHYZYSVOZIUCG-LBPRGKRZSA-N 0 3 268.405 3.144 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001267135949 808365520 /nfs/dbraw/zinc/36/55/20/808365520.db2.gz PFRZYFXHQVPZOR-ZQDZILKHSA-N 0 3 298.858 3.050 20 30 CGEDHN N#CC[C@H]1CCCN([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722235 808418776 /nfs/dbraw/zinc/41/87/76/808418776.db2.gz RSBJDMJPXLLJQF-MLGOLLRUSA-N 0 3 274.795 3.433 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@H](C)CCC)c1ccccc1 ZINC001267350127 808420384 /nfs/dbraw/zinc/42/03/84/808420384.db2.gz ADGVBFSFJSMFEA-GDBMZVCRSA-N 0 3 274.408 3.056 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C/CC ZINC001267409316 808424116 /nfs/dbraw/zinc/42/41/16/808424116.db2.gz DNZJWDTWOPXDAJ-WZDWLKHJSA-N 0 3 290.451 3.374 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001267563418 808448110 /nfs/dbraw/zinc/44/81/10/808448110.db2.gz YQZATWICXAXAFD-VZLFFANISA-N 0 3 298.858 3.169 20 30 CGEDHN C#CC1(N[C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172852449 808461641 /nfs/dbraw/zinc/46/16/41/808461641.db2.gz RPILGVRIVANNRX-JTQLQIEISA-N 0 3 251.732 3.166 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001267750230 808482532 /nfs/dbraw/zinc/48/25/32/808482532.db2.gz ZXKQIZFMCSPOKG-AEFFLSMTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)CCCCC)C1 ZINC001267773421 808489087 /nfs/dbraw/zinc/48/90/87/808489087.db2.gz NDGFJIBIEBNBNW-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCC(CCN(C)CCF)CC1 ZINC001268199602 808555009 /nfs/dbraw/zinc/55/50/09/808555009.db2.gz JFDHQQYFFUMVGM-UHFFFAOYSA-N 0 3 298.446 3.119 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H]1CC=CCC1)C(C)C ZINC001268220881 808560977 /nfs/dbraw/zinc/56/09/77/808560977.db2.gz VDJQUBYCVVJQOZ-CABCVRRESA-N 0 3 298.858 3.216 20 30 CGEDHN CC[C@@H]1CC[C@@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001173261319 808567903 /nfs/dbraw/zinc/56/79/03/808567903.db2.gz BSYYRMCRKZMJCU-MWLCHTKSSA-N 0 3 251.761 3.019 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CNCc1ccccc1F ZINC001268658245 808605906 /nfs/dbraw/zinc/60/59/06/808605906.db2.gz RISUNSFZXVBTIA-ZIAGYGMSSA-N 0 3 292.398 3.022 20 30 CGEDHN N#CCC1CCC(NCC(=O)c2ccc(F)cc2F)CC1 ZINC001173327835 808613986 /nfs/dbraw/zinc/61/39/86/808613986.db2.gz JEUUQTXXQGIFNB-UHFFFAOYSA-N 0 3 292.329 3.210 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CCCC)CC1 ZINC001268965114 808639370 /nfs/dbraw/zinc/63/93/70/808639370.db2.gz KOHLPSOMHATUIP-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C#CCCCCC(=O)NC[C@H]1CCN1CCCC(C)(C)C ZINC001269224019 808658256 /nfs/dbraw/zinc/65/82/56/808658256.db2.gz TWYQHNBTRIXOHX-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN N#CCCNC1CCC2(CCc3ccccc32)CC1 ZINC001173683809 808663760 /nfs/dbraw/zinc/66/37/60/808663760.db2.gz HIJQCZUDMSMXBI-UHFFFAOYSA-N 0 3 254.377 3.316 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001269287326 808666503 /nfs/dbraw/zinc/66/65/03/808666503.db2.gz HPWDJTCPIYGAQY-CVEARBPZSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CC)[C@H]1CCN(CC(=C)C)C1 ZINC001269333527 808672193 /nfs/dbraw/zinc/67/21/93/808672193.db2.gz XWNFQEASYSOODB-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN COc1cc(Nc2ccccc2CN(C)C)ccc1C#N ZINC001173932535 808770391 /nfs/dbraw/zinc/77/03/91/808770391.db2.gz RNOMAODACDZJJV-UHFFFAOYSA-N 0 3 281.359 3.372 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001272097447 808798328 /nfs/dbraw/zinc/79/83/28/808798328.db2.gz AGWKEMBZEDXERJ-ZDUSSCGKSA-N 0 3 294.826 3.020 20 30 CGEDHN CCCCCCC[C@@H](C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001272293607 808804240 /nfs/dbraw/zinc/80/42/40/808804240.db2.gz KLEDKWXDAQDVPW-OWCLPIDISA-N 0 3 280.456 3.146 20 30 CGEDHN C=CCCCCN1CCCC[C@]12CC(=O)N(CC(C)C)C2 ZINC001273501734 808849917 /nfs/dbraw/zinc/84/99/17/808849917.db2.gz UTTCADSLMBEBTB-GOSISDBHSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(CCCC)CC1 ZINC001275143773 808915217 /nfs/dbraw/zinc/91/52/17/808915217.db2.gz QBKHVPXOAXKCAE-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC001275628959 808952533 /nfs/dbraw/zinc/95/25/33/808952533.db2.gz IHXWZTIJZPBDJF-JKSUJKDBSA-N 0 3 288.435 3.225 20 30 CGEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(C)cc2)CC1 ZINC001277072217 809057692 /nfs/dbraw/zinc/05/76/92/809057692.db2.gz RCRFAWGDAYNQST-UHFFFAOYSA-N 0 3 286.419 3.090 20 30 CGEDHN Cc1cnccc1Nc1ccccc1-c1ccc(C#N)cn1 ZINC001174538150 809068993 /nfs/dbraw/zinc/06/89/93/809068993.db2.gz CDJGKMBJAZXQQX-UHFFFAOYSA-N 0 3 286.338 3.489 20 30 CGEDHN Cc1cnccc1Nc1cccc(C(C)(C)C#N)c1 ZINC001174539943 809072498 /nfs/dbraw/zinc/07/24/98/809072498.db2.gz QRUCQFQGAAXFQZ-UHFFFAOYSA-N 0 3 251.333 3.357 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H](C)N[C@@H](C)c1ccccc1F ZINC001277770714 809094938 /nfs/dbraw/zinc/09/49/38/809094938.db2.gz HTANYRWVNYSEFD-KBPBESRZSA-N 0 3 292.398 3.289 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CC2(C)CC2)cc1 ZINC001280355028 809186625 /nfs/dbraw/zinc/18/66/25/809186625.db2.gz WOYOMRBINNVEIV-OAHLLOKOSA-N 0 3 298.430 3.167 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@H](C)C1CN(CC=C(C)C)C1 ZINC001282714724 809260887 /nfs/dbraw/zinc/26/08/87/809260887.db2.gz LLHBIDSWSCTOJA-OAHLLOKOSA-N 0 3 290.451 3.158 20 30 CGEDHN CC#CCCCC(=O)N[C@H]1CCCN(CC=C(C)C)[C@@H]1C ZINC001284129476 809298278 /nfs/dbraw/zinc/29/82/78/809298278.db2.gz IJJONBMUNOHWMF-SJORKVTESA-N 0 3 290.451 3.115 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CC=CCC1)C(C)C ZINC001284527442 809306162 /nfs/dbraw/zinc/30/61/62/809306162.db2.gz MZKQIYZQZJIYDY-MRXNPFEDSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](C)C(C)(F)F)C(C)C ZINC001284543297 809307976 /nfs/dbraw/zinc/30/79/76/809307976.db2.gz AJHAONKTWJMSJR-CYBMUJFWSA-N 0 3 290.398 3.023 20 30 CGEDHN C=CCN(C)CCN(C(=O)C(C)=C1CCCC1)C(C)C ZINC001284531047 809308137 /nfs/dbraw/zinc/30/81/37/809308137.db2.gz ZBIREZOBTZJRQB-UHFFFAOYSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C(C)=C1CCC1)C(C)C ZINC001284533957 809308182 /nfs/dbraw/zinc/30/81/82/809308182.db2.gz TZBVHVPNZUOQRI-UHFFFAOYSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CC[C@H](C)C1)C(C)C ZINC001284544822 809309972 /nfs/dbraw/zinc/30/99/72/809309972.db2.gz PKKAXGXFDOMZPK-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCCC1(C)C ZINC001177193042 809786549 /nfs/dbraw/zinc/78/65/49/809786549.db2.gz YZEZPCQAISSZGF-ZDUSSCGKSA-N 0 3 286.847 3.051 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)ccc1OCC ZINC001178742706 809884639 /nfs/dbraw/zinc/88/46/39/809884639.db2.gz UUKMGTCWGQPMIM-KGLIPLIRSA-N 0 3 281.783 3.172 20 30 CGEDHN C#Cc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC001178950742 809896230 /nfs/dbraw/zinc/89/62/30/809896230.db2.gz RUOPTPUETNXWGF-UHFFFAOYSA-N 0 3 260.340 3.439 20 30 CGEDHN CCOc1cccc(F)c1CNCCc1ccc(C#N)cc1 ZINC001179142395 809906223 /nfs/dbraw/zinc/90/62/23/809906223.db2.gz HFOWHDPXUJYARG-UHFFFAOYSA-N 0 3 298.361 3.428 20 30 CGEDHN COc1cccc2c1CCC[C@@H](NCC1(C#N)CCC1)C2 ZINC001179776208 809944322 /nfs/dbraw/zinc/94/43/22/809944322.db2.gz MDXNTEODKYBOSB-OAHLLOKOSA-N 0 3 284.403 3.226 20 30 CGEDHN C#C[C@H](NCc1cc(Cl)cc(Cl)c1N)C(C)C ZINC001181576805 810059924 /nfs/dbraw/zinc/05/99/24/810059924.db2.gz OTSDUJIBTQJJCG-LBPRGKRZSA-N 0 3 271.191 3.323 20 30 CGEDHN C=CCCC(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001189280051 810553626 /nfs/dbraw/zinc/55/36/26/810553626.db2.gz PUYQBIFQBVDOBU-IBWPDUFMSA-N 0 3 298.430 3.199 20 30 CGEDHN CCCCCCCNC(=O)Nc1cnccc1N(C)C ZINC001191084248 810673462 /nfs/dbraw/zinc/67/34/62/810673462.db2.gz GJQJOCJFLFCDJL-UHFFFAOYSA-N 0 3 278.400 3.240 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC001194166068 811025225 /nfs/dbraw/zinc/02/52/25/811025225.db2.gz WRBMNFRPKMESEZ-IBGZPJMESA-N 0 3 279.383 3.164 20 30 CGEDHN CCCCO[C@H]1C[C@H](NCc2cc(C#N)ccn2)C1(C)C ZINC001194193616 811032057 /nfs/dbraw/zinc/03/20/57/811032057.db2.gz VOSPDASGFWPZND-HOTGVXAUSA-N 0 3 287.407 3.027 20 30 CGEDHN CCCCCCCCOC(=O)NC[C@@H]1CCCN1C ZINC001194748318 811122861 /nfs/dbraw/zinc/12/28/61/811122861.db2.gz RJRLYVQEKMCVRA-AWEZNQCLSA-N 0 3 270.417 3.167 20 30 CGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC001197701246 811447392 /nfs/dbraw/zinc/44/73/92/811447392.db2.gz GCMUGNBEOSAARX-QWHCGFSZSA-N 0 3 290.794 3.012 20 30 CGEDHN C=C(CNCc1cn(CCC)nc1C)c1ccccc1 ZINC001200141669 811641120 /nfs/dbraw/zinc/64/11/20/811641120.db2.gz GJMBOPQZWXGKLT-UHFFFAOYSA-N 0 3 269.392 3.405 20 30 CGEDHN CCCCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001201723315 811946934 /nfs/dbraw/zinc/94/69/34/811946934.db2.gz XQHGWCISISQPNJ-UHFFFAOYSA-N 0 3 260.356 3.483 20 30 CGEDHN Cc1nc[nH]c1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001204588660 812682404 /nfs/dbraw/zinc/68/24/04/812682404.db2.gz BLBWFLSEMUZUFG-UHFFFAOYSA-N 0 3 294.402 3.045 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC001208170966 813724472 /nfs/dbraw/zinc/72/44/72/813724472.db2.gz OKJJONGKKGYAFT-ZIAGYGMSSA-N 0 3 289.341 3.288 20 30 CGEDHN CN(CCCc1ccc(C#N)cc1)Cc1cncs1 ZINC001208864777 813873481 /nfs/dbraw/zinc/87/34/81/813873481.db2.gz SXJAFMUKFSBXSV-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001208867699 813875335 /nfs/dbraw/zinc/87/53/35/813875335.db2.gz HQXJUDGLEPOIDN-ARFHVFGLSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1CC ZINC001209160339 813951082 /nfs/dbraw/zinc/95/10/82/813951082.db2.gz ROPKSYMPODOWOT-CQSZACIVSA-N 0 3 282.428 3.284 20 30 CGEDHN C=CCCCN1CCc2ncc(C(F)(F)F)cc2C1 ZINC001209160415 813951511 /nfs/dbraw/zinc/95/15/11/813951511.db2.gz YNGVKCVALJWZSY-UHFFFAOYSA-N 0 3 270.298 3.425 20 30 CGEDHN C=CCCCCN1CCN(Cc2ccc(OC)cc2)CC1 ZINC001209202804 813966542 /nfs/dbraw/zinc/96/65/42/813966542.db2.gz QHILWMUQSFKSKO-UHFFFAOYSA-N 0 3 288.435 3.169 20 30 CGEDHN C=CCCCCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC001209443161 814044337 /nfs/dbraw/zinc/04/43/37/814044337.db2.gz NLRKPZROLIVPOX-SFHVURJKSA-N 0 3 294.483 3.310 20 30 CGEDHN CC(C)(C)c1cc(Nc2ccc(C#N)nc2)ccn1 ZINC001209545627 814080743 /nfs/dbraw/zinc/08/07/43/814080743.db2.gz LZCUJNCDVVJGBX-UHFFFAOYSA-N 0 3 252.321 3.389 20 30 CGEDHN CN1CCc2ccc(Nc3ccccc3C#N)cc2C1 ZINC001210741327 814605811 /nfs/dbraw/zinc/60/58/11/814605811.db2.gz NYVMGOIGSBDYMQ-UHFFFAOYSA-N 0 3 263.344 3.290 20 30 CGEDHN C=CC[C@@H](OC[C@@H]1COC(C)(C)N1)c1ccccc1 ZINC001217873900 815984719 /nfs/dbraw/zinc/98/47/19/815984719.db2.gz FEEGWWZJFKKKFJ-HUUCEWRRSA-N 0 3 261.365 3.045 20 30 CGEDHN N#Cc1cc(F)c(F)cc1O[C@@H]1CNCc2ccccc21 ZINC001218488954 816244021 /nfs/dbraw/zinc/24/40/21/816244021.db2.gz NNUUKNCDMJIUPJ-MRXNPFEDSA-N 0 3 286.281 3.060 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](CC)CC(C)C)[C@@H]2C1 ZINC001221929198 816335401 /nfs/dbraw/zinc/33/54/01/816335401.db2.gz WDJCQGDDACYNDZ-BRWVUGGUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221979345 816338518 /nfs/dbraw/zinc/33/85/18/816338518.db2.gz YSWQTDWKTRXQBK-ARFHVFGLSA-N 0 3 292.467 3.168 20 30 CGEDHN CC#CCN1CCC(CNC(=O)CCCC(C)(C)C)CC1 ZINC001222630494 816483921 /nfs/dbraw/zinc/48/39/21/816483921.db2.gz CILOMKUSVPQZFH-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN N#Cc1ccc(CO[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC001223285933 816598579 /nfs/dbraw/zinc/59/85/79/816598579.db2.gz HYLOKCUJGVJYQI-HNNXBMFYSA-N 0 3 298.411 3.411 20 30 CGEDHN C#CCN1CCC(CNC(=O)CCC[C@@H](C)CCC)CC1 ZINC001223320536 816604862 /nfs/dbraw/zinc/60/48/62/816604862.db2.gz LUSTWXMITPANSS-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224187664 816751043 /nfs/dbraw/zinc/75/10/43/816751043.db2.gz WXZSVKBHKCNTND-HOCLYGCPSA-N 0 3 298.446 3.165 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224198638 816752598 /nfs/dbraw/zinc/75/25/98/816752598.db2.gz RYUQKGKCBXAQQA-ZBFHGGJFSA-N 0 3 298.446 3.165 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C(\C)CC ZINC001226058820 817260858 /nfs/dbraw/zinc/26/08/58/817260858.db2.gz LDFUBXDOAVNDGX-LLVNNSLESA-N 0 3 284.831 3.112 20 30 CGEDHN CCN1CCC[C@H](Oc2nc3ccccc3c(C)c2C#N)C1 ZINC001226444884 817358252 /nfs/dbraw/zinc/35/82/52/817358252.db2.gz PJPPMMYMCBDOMT-AWEZNQCLSA-N 0 3 295.386 3.278 20 30 CGEDHN N#Cc1cncc(OC(C(=O)c2ccco2)c2ccco2)c1 ZINC001226687416 817433994 /nfs/dbraw/zinc/43/39/94/817433994.db2.gz YJMBACMWPOHQPY-MRXNPFEDSA-N 0 3 294.266 3.142 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228413342 817900185 /nfs/dbraw/zinc/90/01/85/817900185.db2.gz ITSOQSIFSODGLB-FMKPAKJESA-N 0 3 298.858 3.358 20 30 CGEDHN CCCCN(CCC#N)Cc1cc2c[nH]ccc-2n1 ZINC001232013618 818232637 /nfs/dbraw/zinc/23/26/37/818232637.db2.gz BDLCUTCTQNMCPG-UHFFFAOYSA-N 0 3 256.353 3.079 20 30 CGEDHN CCCCN(CCC#N)Cc1cc2cnccc2[nH]1 ZINC001232013618 818232641 /nfs/dbraw/zinc/23/26/41/818232641.db2.gz BDLCUTCTQNMCPG-UHFFFAOYSA-N 0 3 256.353 3.079 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)CC[C@]1(C)O ZINC001232112427 818258917 /nfs/dbraw/zinc/25/89/17/818258917.db2.gz WAAUVVDAGHUHDU-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN CCCN(CCC#N)Cc1cc(F)cc(CN(C)C)c1 ZINC001232148179 818264307 /nfs/dbraw/zinc/26/43/07/818264307.db2.gz XUKYELXVGKGVCJ-UHFFFAOYSA-N 0 3 277.387 3.013 20 30 CGEDHN C=CCCN(Cc1ccccc1)Cc1ccc(N)nc1 ZINC001232368380 818327439 /nfs/dbraw/zinc/32/74/39/818327439.db2.gz GWSCFVCZWXWBHW-UHFFFAOYSA-N 0 3 267.376 3.242 20 30 CGEDHN Cc1ccc(CN2CCc3ccccc3CC2)c(C#N)c1 ZINC001232966808 818486184 /nfs/dbraw/zinc/48/61/84/818486184.db2.gz WKOXSIVVJWZSKP-UHFFFAOYSA-N 0 3 276.383 3.468 20 30 CGEDHN C[C@@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)[C@H]1C ZINC001233100544 818521610 /nfs/dbraw/zinc/52/16/10/818521610.db2.gz JPENXQZJTZNMDR-OLZOCXBDSA-N 0 3 289.398 3.384 20 30 CGEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001233760736 818699572 /nfs/dbraw/zinc/69/95/72/818699572.db2.gz DHIYKMRWJHYQGA-KMDWOBIYSA-N 0 3 290.451 3.069 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CC/C=C/CCC ZINC001233966627 818742798 /nfs/dbraw/zinc/74/27/98/818742798.db2.gz NPYHIFBKDFNZOL-KBOKABMXSA-N 0 3 290.451 3.069 20 30 CGEDHN CCC#C[C@H](C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243333 818813900 /nfs/dbraw/zinc/81/39/00/818813900.db2.gz HPASYJZYBAHRRP-LBPRGKRZSA-N 0 3 279.355 3.077 20 30 CGEDHN CN1CCc2c(cccc2OC2CCC(C#N)CC2)C1 ZINC001234420125 818849905 /nfs/dbraw/zinc/84/99/05/818849905.db2.gz KWEYWJHKZHKLCI-UHFFFAOYSA-N 0 3 270.376 3.136 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234437905 818854453 /nfs/dbraw/zinc/85/44/53/818854453.db2.gz YNLBAKIOPMSFOJ-INIZCTEOSA-N 0 3 291.439 3.131 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CC[C@H](C)F ZINC001234518948 818872301 /nfs/dbraw/zinc/87/23/01/818872301.db2.gz YMLINLYCPXNYKV-HOCLYGCPSA-N 0 3 296.430 3.036 20 30 CGEDHN C=CCOc1ccc(CN2CCc3cc(N)ccc3C2)cc1 ZINC001236106089 819323267 /nfs/dbraw/zinc/32/32/67/819323267.db2.gz YECKJMBDXAVNOV-UHFFFAOYSA-N 0 3 294.398 3.392 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(F)cc(C(=O)OC)c1 ZINC001236781018 819592918 /nfs/dbraw/zinc/59/29/18/819592918.db2.gz FPHOIEARVIAEJP-UHFFFAOYSA-N 0 3 265.328 3.010 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237088012 819663699 /nfs/dbraw/zinc/66/36/99/819663699.db2.gz ALJDVZZYXRCSCC-OAHLLOKOSA-N 0 3 286.394 3.271 20 30 CGEDHN N#CCC1CCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC001237373654 819737156 /nfs/dbraw/zinc/73/71/56/819737156.db2.gz MCMIXERFDRMHPS-UHFFFAOYSA-N 0 3 281.359 3.467 20 30 CGEDHN Cc1cccc(O)c1CN(CCC#N)C1CCCC1 ZINC001237489999 819763570 /nfs/dbraw/zinc/76/35/70/819763570.db2.gz OSHHKZWRQULMSI-UHFFFAOYSA-N 0 3 258.365 3.359 20 30 CGEDHN CC(C)N(Cc1cc(C#N)c(F)cc1F)C1CCOCC1 ZINC001237528995 819772273 /nfs/dbraw/zinc/77/22/73/819772273.db2.gz FRFCUIKFTKSOIH-UHFFFAOYSA-N 0 3 294.345 3.226 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccccc2Oc2cnccn2)C1 ZINC001238019850 819912852 /nfs/dbraw/zinc/91/28/52/819912852.db2.gz NJWAJHGZVADCDQ-HNNXBMFYSA-N 0 3 293.370 3.114 20 30 CGEDHN CCc1cc(CN2CCCOC(C)(C)C2)ccc1C#N ZINC001238777856 820116415 /nfs/dbraw/zinc/11/64/15/820116415.db2.gz JFXRRGDGVUKZQZ-UHFFFAOYSA-N 0 3 272.392 3.122 20 30 CGEDHN N#Cc1ncc(-c2cnccc2CN2CCCCC2)cc1F ZINC001238995961 820187709 /nfs/dbraw/zinc/18/77/09/820187709.db2.gz PQLHNLWJSJSUMR-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C#Cc1ccc(-c2ccc(CN(C)C3CC3)cn2)cc1 ZINC001242293873 822941663 /nfs/dbraw/zinc/94/16/63/822941663.db2.gz RMJMEASSGADVRO-UHFFFAOYSA-N 0 3 262.356 3.324 20 30 CGEDHN CN(C)CCOc1cccc(C2=CC(=O)CC(C)(C)C2)c1 ZINC001242316423 822949567 /nfs/dbraw/zinc/94/95/67/822949567.db2.gz QJDITYATSJYMNH-UHFFFAOYSA-N 0 3 287.403 3.400 20 30 CGEDHN Cc1ccc(C#N)cc1-c1cnccc1/C=C/N(C)C ZINC001242543379 823025742 /nfs/dbraw/zinc/02/57/42/823025742.db2.gz DGTBGZDYOQLQJX-VQHVLOKHSA-N 0 3 263.344 3.461 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@H](C)Cc1ccsc1 ZINC001341069126 936426479 /nfs/dbraw/zinc/42/64/79/936426479.db2.gz BHOBAPYZIFCYJM-UKRRQHHQSA-N 0 3 294.464 3.211 20 30 CGEDHN C[C@@H](NC(=O)[C@H](N)C1CCCCCC1)c1cccc(C#N)c1 ZINC001341610910 936444208 /nfs/dbraw/zinc/44/42/08/936444208.db2.gz YLXJCIJDHJRNMF-CXAGYDPISA-N 0 3 299.418 3.033 20 30 CGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCC=CCCC1 ZINC001342717621 936476423 /nfs/dbraw/zinc/47/64/23/936476423.db2.gz MSHCQCVGHVVBNX-GOEBONIOSA-N 0 3 296.370 3.470 20 30 CGEDHN CC(C)[C@H](F)C(=O)C(C#N)c1nccn1Cc1ccccc1 ZINC001343705219 936510885 /nfs/dbraw/zinc/51/08/85/936510885.db2.gz ODPCZNZHAIBXAM-GJZGRUSLSA-N 0 3 299.349 3.102 20 30 CGEDHN N#CC(C(=O)C[C@H]1C=CCCC1)c1cccc(F)n1 ZINC001344622139 936540334 /nfs/dbraw/zinc/54/03/34/936540334.db2.gz QGLHDESWZJTNBS-RYUDHWBXSA-N 0 3 258.296 3.143 20 30 CGEDHN CC(C)C(C)(C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001345621670 936817647 /nfs/dbraw/zinc/81/76/47/936817647.db2.gz MJZSRZFIYKKUOB-SNVBAGLBSA-N 0 3 266.291 3.218 20 30 CGEDHN N#CC(C(=O)C1CC=CC1)c1nc2c(cccc2Cl)[nH]1 ZINC001346149767 936839770 /nfs/dbraw/zinc/83/97/70/936839770.db2.gz BCDSAVXJGHQLAQ-SNVBAGLBSA-N 0 3 285.734 3.359 20 30 CGEDHN C[C@H]1CCCCN1N=Cc1ccccc1N1CCCC1 ZINC001347219743 936874075 /nfs/dbraw/zinc/87/40/75/936874075.db2.gz PIPYTASCSBHYPJ-HNNXBMFYSA-N 0 3 271.408 3.495 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCCCCC1 ZINC001349702305 936958787 /nfs/dbraw/zinc/95/87/87/936958787.db2.gz OQUCUXYWJBWXBL-NSHDSACASA-N 0 3 279.771 3.220 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NC[C@@]1(C)CC1(F)F ZINC001354274560 937097098 /nfs/dbraw/zinc/09/70/98/937097098.db2.gz VULLTTSSGSLBLL-TZMCWYRMSA-N 0 3 290.398 3.226 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC1(C)CCCCC1 ZINC001347337420 926725069 /nfs/dbraw/zinc/72/50/69/926725069.db2.gz INOKUICBSMCGRG-CYBMUJFWSA-N 0 3 273.380 3.440 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(CCCF)C2)CCCC1 ZINC001481754930 927077871 /nfs/dbraw/zinc/07/78/71/927077871.db2.gz UVAOZZFNIHZKPU-HNNXBMFYSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001482638110 927331832 /nfs/dbraw/zinc/33/18/32/927331832.db2.gz MTXCKLHZKJDORH-WKILWMFISA-N 0 3 280.456 3.025 20 30 CGEDHN C#CCCN(C)CCN(C)C(=O)C[C@@H](C)C1CCCCC1 ZINC001482634967 927334238 /nfs/dbraw/zinc/33/42/38/927334238.db2.gz OWKTZHYGLGODHF-MRXNPFEDSA-N 0 3 292.467 3.006 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCCC1(F)F)c1ccccn1 ZINC001356238221 937155555 /nfs/dbraw/zinc/15/55/55/937155555.db2.gz GRJNXWDTYIKFOS-GHMZBOCLSA-N 0 3 264.275 3.083 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001356566994 937161325 /nfs/dbraw/zinc/16/13/25/937161325.db2.gz JEZBIEOKUCYFDF-ZDUSSCGKSA-N 0 3 287.407 3.449 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001483699678 927579831 /nfs/dbraw/zinc/57/98/31/927579831.db2.gz QAOOUFVORSYMCS-KRWDZBQOSA-N 0 3 286.419 3.074 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC001357945297 937183906 /nfs/dbraw/zinc/18/39/06/937183906.db2.gz MNWFZJYKOZYMRZ-INIZCTEOSA-N 0 3 291.439 3.310 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(C2CCC2)CCC1 ZINC001484996329 927784881 /nfs/dbraw/zinc/78/48/81/927784881.db2.gz UOEFUHTZKKQAMG-ZDUSSCGKSA-N 0 3 298.858 3.194 20 30 CGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)CCCC ZINC001485478038 927876874 /nfs/dbraw/zinc/87/68/74/927876874.db2.gz MTLJEICMXMMOHG-IAGOWNOFSA-N 0 3 292.467 3.197 20 30 CGEDHN C#CCCN1C[C@@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001485579266 927889862 /nfs/dbraw/zinc/88/98/62/927889862.db2.gz JOVCYMBPGLLQGL-MRXNPFEDSA-N 0 3 292.467 3.053 20 30 CGEDHN C#Cc1ccc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)cc1 ZINC001144568478 928198711 /nfs/dbraw/zinc/19/87/11/928198711.db2.gz WQKXIDWPGMSXQE-OALUTQOASA-N 0 3 287.362 3.080 20 30 CGEDHN C[C@@H](CCCC#N)NCc1nc(Br)cs1 ZINC001172484691 928222186 /nfs/dbraw/zinc/22/21/86/928222186.db2.gz BVATXFRISFUMSX-QMMMGPOBSA-N 0 3 288.214 3.078 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001317557657 928275526 /nfs/dbraw/zinc/27/55/26/928275526.db2.gz GMTQCSZBKZJHQD-LSDHHAIUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CCCCCC)[C@H]1C ZINC001489306207 928323291 /nfs/dbraw/zinc/32/32/91/928323291.db2.gz UJDBHZSOEZACFN-CABCVRRESA-N 0 3 266.429 3.112 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)C1CCCCCC1 ZINC001459921260 937506515 /nfs/dbraw/zinc/50/65/15/937506515.db2.gz HPTHJESQBXROOF-ZDUSSCGKSA-N 0 3 257.381 3.402 20 30 CGEDHN C#C[C@@H](Oc1ccc2c(c1)CCN(C)C2)c1ccccc1 ZINC001228936523 932053953 /nfs/dbraw/zinc/05/39/53/932053953.db2.gz JRTPAGDFTOZNKA-LJQANCHMSA-N 0 3 277.367 3.428 20 30 CGEDHN C=C1O[C@@H](CC)C(=O)C1Oc1cccc([C@H](C)N(C)C)c1 ZINC001229623000 932180199 /nfs/dbraw/zinc/18/01/99/932180199.db2.gz REYKDSPKVYXXAQ-NHYWBVRUSA-N 0 3 289.375 3.297 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001230633606 932601484 /nfs/dbraw/zinc/60/14/84/932601484.db2.gz JGBSRPLNTGMOTN-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCC ZINC001230633999 932601795 /nfs/dbraw/zinc/60/17/95/932601795.db2.gz OVJAEYNGGIYBBE-OAHLLOKOSA-N 0 3 268.445 3.290 20 30 CGEDHN C#C[C@H](N[C@H](C)Cc1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC001462125324 937619543 /nfs/dbraw/zinc/61/95/43/937619543.db2.gz NFAQSBJNSABXSZ-XFBWCDHKSA-N 0 3 295.785 3.181 20 30 CGEDHN C=CC[C@@H](C)N1CCN(Cc2ccc(CC)s2)CC1 ZINC001307484517 932960257 /nfs/dbraw/zinc/96/02/57/932960257.db2.gz KVZVNNLIOMLTFD-CQSZACIVSA-N 0 3 278.465 3.393 20 30 CGEDHN C#C[C@H](NCCSc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC001307703434 932989684 /nfs/dbraw/zinc/98/96/84/932989684.db2.gz TYHXAUMKRVSIFG-GJZGRUSLSA-N 0 3 295.835 3.203 20 30 CGEDHN C=CCN(Cc1c(C)cc(C#N)cc1C)[C@H](C)COC ZINC001307923244 933020188 /nfs/dbraw/zinc/02/01/88/933020188.db2.gz GDLLVCUEOLAFNJ-OAHLLOKOSA-N 0 3 272.392 3.198 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001308647801 933149785 /nfs/dbraw/zinc/14/97/85/933149785.db2.gz VYCDXUYZHFBWAV-UHFFFAOYSA-N 0 3 297.402 3.114 20 30 CGEDHN Cc1ccc(C2CC(NCC3(C#N)CCOCC3)C2)cc1 ZINC001308976282 933218724 /nfs/dbraw/zinc/21/87/24/933218724.db2.gz CBOZYXBDPOHBAM-UHFFFAOYSA-N 0 3 284.403 3.151 20 30 CGEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC[C@@H](F)CC ZINC001316704899 933466740 /nfs/dbraw/zinc/46/67/40/933466740.db2.gz UWCQHQZINYVDIA-PMPSAXMXSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C[C@@H](C(=O)N[C@H]1CCN(CC(=C)C)[C@@H]1C)c1ccccc1 ZINC001316798856 933483233 /nfs/dbraw/zinc/48/32/33/933483233.db2.gz DMAQJHNSOGNAEW-NXHRZFHOSA-N 0 3 298.430 3.111 20 30 CGEDHN CCCCCCCN1CC[C@H](NC(=O)c2occc2C)C1 ZINC001316968627 933502885 /nfs/dbraw/zinc/50/28/85/933502885.db2.gz GNAPJQPFHRXDOY-HNNXBMFYSA-N 0 3 292.423 3.363 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001317049319 933520388 /nfs/dbraw/zinc/52/03/88/933520388.db2.gz QNZZHPFELGPCEI-HRCADAONSA-N 0 3 292.467 3.453 20 30 CGEDHN C=C(C)CN(CCNC(=O)C1CCC(C)(C)CC1)C1CC1 ZINC001317562134 933622885 /nfs/dbraw/zinc/62/28/85/933622885.db2.gz USWUIQGEMDPUCH-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)/C=C(/C)CC)c1ccccc1 ZINC001317719234 933637757 /nfs/dbraw/zinc/63/77/57/933637757.db2.gz UHAKZPXGEHNLAZ-JBXOJTMHSA-N 0 3 286.419 3.366 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001318266827 933702984 /nfs/dbraw/zinc/70/29/84/933702984.db2.gz VBJZDRWPKKWJRQ-CVEARBPZSA-N 0 3 280.456 3.360 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCCC[C@@H](C)CC)C1 ZINC001318407654 933721797 /nfs/dbraw/zinc/72/17/97/933721797.db2.gz SCYXBDCFYZFSRT-DLBZAZTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC001320085184 933994376 /nfs/dbraw/zinc/99/43/76/933994376.db2.gz DPSGMAJPYGDMQT-QGZVFWFLSA-N 0 3 297.402 3.162 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(SC)cc1 ZINC001320427774 934046803 /nfs/dbraw/zinc/04/68/03/934046803.db2.gz JWOZJZDWJYYKKT-AAEUAGOBSA-N 0 3 251.395 3.260 20 30 CGEDHN COc1cccc2cc(CN[C@H]3CC[C@@H](C#N)C3)oc21 ZINC001321180199 934159856 /nfs/dbraw/zinc/15/98/56/934159856.db2.gz RSTFQYXELIJHRC-YPMHNXCESA-N 0 3 270.332 3.223 20 30 CGEDHN C=CC1(CC(=O)NC[C@@H]2CCN2C(C)C)CCCCC1 ZINC001323316936 934383703 /nfs/dbraw/zinc/38/37/03/934383703.db2.gz BTAUKDQTYZNVIX-HNNXBMFYSA-N 0 3 278.440 3.112 20 30 CGEDHN C#CCN(Cc1ccc(F)c(Br)c1)CC1CC1 ZINC001473286333 937800565 /nfs/dbraw/zinc/80/05/65/937800565.db2.gz BHWZTHNWMSDQLL-UHFFFAOYSA-N 0 3 296.183 3.433 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001324958235 934876716 /nfs/dbraw/zinc/87/67/16/934876716.db2.gz REUMLESDPHAMHW-QAPCUYQASA-N 0 3 292.467 3.217 20 30 CGEDHN CCOc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC001326241190 934962329 /nfs/dbraw/zinc/96/23/29/934962329.db2.gz WGBOAYJGQVOAMR-HIFRSBDPSA-N 0 3 288.391 3.218 20 30 CGEDHN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C ZINC001327998447 935107754 /nfs/dbraw/zinc/10/77/54/935107754.db2.gz JHRBYOQNEZPDPP-UHFFFAOYSA-N 0 3 293.798 3.271 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccc(F)c(OC)c2)C1 ZINC001328695436 935160160 /nfs/dbraw/zinc/16/01/60/935160160.db2.gz AGJYCWLWLOYPEM-CYBMUJFWSA-N 0 3 261.340 3.070 20 30 CGEDHN C=CCCC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(F)cc1 ZINC001329397185 935212352 /nfs/dbraw/zinc/21/23/52/935212352.db2.gz OGIUXFKQXXDCGM-UONOGXRCSA-N 0 3 292.398 3.289 20 30 CGEDHN CC[C@@]1(C)CN(CCCCC2(C#N)CCC2)CCO1 ZINC001332970086 935501190 /nfs/dbraw/zinc/50/11/90/935501190.db2.gz WZPQIGVOPVCXPP-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN CC(=O)c1ccc(CN(C)CCc2cccc(C#N)c2)cc1 ZINC001333053578 935507123 /nfs/dbraw/zinc/50/71/23/935507123.db2.gz LTTCRXWDOWOJDO-UHFFFAOYSA-N 0 3 292.382 3.435 20 30 CGEDHN C=CC(C)(C)CC(=O)NCC1=CCN(CC=C(C)C)CC1 ZINC001333349170 935527999 /nfs/dbraw/zinc/52/79/99/935527999.db2.gz DICDWRRTEYOOKU-UHFFFAOYSA-N 0 3 290.451 3.303 20 30 CGEDHN c1ccc2c(c1)NCCCC2=NNC1CCSCC1 ZINC001336992859 936230701 /nfs/dbraw/zinc/23/07/01/936230701.db2.gz NYRDFXFPNIMZQG-UHFFFAOYSA-N 0 3 275.421 3.082 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CCC ZINC001337257354 936246192 /nfs/dbraw/zinc/24/61/92/936246192.db2.gz CZWBDASKJHRUTR-HUUCEWRRSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCCCN(CC)CC(=O)N(C)[C@@H](C)CC(C)C ZINC001473862161 937825491 /nfs/dbraw/zinc/82/54/91/937825491.db2.gz XIBIVFMFXWMSGC-HNNXBMFYSA-N 0 3 268.445 3.168 20 30 CGEDHN C=C(CC)CN[C@@](C)(CO)c1cccc(Br)c1 ZINC001473866040 937826422 /nfs/dbraw/zinc/82/64/22/937826422.db2.gz KFRASLIPTNKKAN-AWEZNQCLSA-N 0 3 298.224 3.212 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC001474619370 937870759 /nfs/dbraw/zinc/87/07/59/937870759.db2.gz VIBCDKUFMKNOMC-ZDUSSCGKSA-N 0 3 289.375 3.212 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001479293745 937919162 /nfs/dbraw/zinc/91/91/62/937919162.db2.gz SOZOBOXQLZGNED-OKILXGFUSA-N 0 3 298.858 3.194 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)[C@H](F)CC)C1 ZINC001479909373 937928712 /nfs/dbraw/zinc/92/87/12/937928712.db2.gz VQVQLYWJIMMSEN-HUUCEWRRSA-N 0 3 286.435 3.286 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC(C)=C(C)C ZINC001480325185 937936442 /nfs/dbraw/zinc/93/64/42/937936442.db2.gz RBNFWSWLZXSNHF-MRXNPFEDSA-N 0 3 278.440 3.280 20 30 CGEDHN C=CCN(CCNC(=O)C[C@H](C)CC(C)(C)C)C1CC1 ZINC001493414611 937949952 /nfs/dbraw/zinc/94/99/52/937949952.db2.gz DNRZQBVKNJILQP-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@H]1CC12CCCC2)c1ccccc1 ZINC001493901658 937951929 /nfs/dbraw/zinc/95/19/29/937951929.db2.gz WQSNSPVEWIPUFV-IAGOWNOFSA-N 0 3 298.430 3.200 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(CC=C(C)C)C1 ZINC001494281787 937953970 /nfs/dbraw/zinc/95/39/70/937953970.db2.gz CRKDBGMUACRRIW-JKSUJKDBSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C/C(C)=C/CC(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1 ZINC001494910921 937957231 /nfs/dbraw/zinc/95/72/31/937957231.db2.gz QYNFBZBBALBBIX-WPBGYSLVSA-N 0 3 276.424 3.008 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(C)c1C ZINC001497311800 937965544 /nfs/dbraw/zinc/96/55/44/937965544.db2.gz JUCQHAUFDYNSJX-ZDUSSCGKSA-N 0 3 294.826 3.154 20 30 CGEDHN CC#CCNC[C@H](NC(=O)CC)c1ccc2ccccc2c1 ZINC001500060336 937975607 /nfs/dbraw/zinc/97/56/07/937975607.db2.gz OVDFHAAELRSOOQ-SFHVURJKSA-N 0 3 294.398 3.020 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001502139020 937981200 /nfs/dbraw/zinc/98/12/00/937981200.db2.gz ZOKLAFJLUYIPKY-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCC(=O)N1CCC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001502541395 937982799 /nfs/dbraw/zinc/98/27/99/937982799.db2.gz NUXPYNRCDZREDW-WBVHZDCISA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCF)[C@H]2C)CCC1 ZINC001507386337 937995753 /nfs/dbraw/zinc/99/57/53/937995753.db2.gz UZOQQPRZBNJAGQ-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CC=CCC1 ZINC001514974829 938004140 /nfs/dbraw/zinc/00/41/40/938004140.db2.gz RQZMYPMLLZMDDN-KGLIPLIRSA-N 0 3 293.370 3.496 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001517046188 938010984 /nfs/dbraw/zinc/01/09/84/938010984.db2.gz LVBAMCOBSSOYJD-RLFYNMQTSA-N 0 3 293.370 3.057 20 30 CGEDHN C=C(C)CCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001520619261 938026599 /nfs/dbraw/zinc/02/65/99/938026599.db2.gz XYIOUCKNPWZQFF-UHFFFAOYSA-N 0 3 288.435 3.242 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC001521671164 938033411 /nfs/dbraw/zinc/03/34/11/938033411.db2.gz CEUPEQXJRSCVEO-WDEREUQCSA-N 0 3 294.361 3.153 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NC(C1CCCC1)C1CCCC1 ZINC001521820440 938034703 /nfs/dbraw/zinc/03/47/03/938034703.db2.gz JUPHTQORGSEARA-AWEZNQCLSA-N 0 3 298.858 3.322 20 30 CGEDHN C=CC1(CC(=O)NCCN2CCCCC2)CCCCC1 ZINC001540994151 938134497 /nfs/dbraw/zinc/13/44/97/938134497.db2.gz AGTDXQGJGDSYGR-UHFFFAOYSA-N 0 3 278.440 3.115 20 30 CGEDHN C=CCOc1cccc(NC(=O)C2(N(C)C)CCCC2)c1 ZINC001543745562 938141390 /nfs/dbraw/zinc/14/13/90/938141390.db2.gz DXCDSLJHABSGGL-UHFFFAOYSA-N 0 3 288.391 3.064 20 30 CGEDHN C=CCC1(CNC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC001544642182 938146151 /nfs/dbraw/zinc/14/61/51/938146151.db2.gz FXNUKALATNHQTH-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C1CCC(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001558261258 938214260 /nfs/dbraw/zinc/21/42/60/938214260.db2.gz WWCJGFZYNTYIEG-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCN([C@@H](CC)c2ccccc2)CC1 ZINC001559566887 938229856 /nfs/dbraw/zinc/22/98/56/938229856.db2.gz QEZOXJRXQWPQAB-KRWDZBQOSA-N 0 3 258.409 3.331 20 30 CGEDHN Cc1cc([C@H]2CCCCN2CCc2ccc(C#N)cc2)[nH]n1 ZINC001560173808 938246053 /nfs/dbraw/zinc/24/60/53/938246053.db2.gz PEPURFFOHDVBAL-GOSISDBHSA-N 0 3 294.402 3.360 20 30 CGEDHN C#C[C@@H](NCc1cc(C)nc2c1CCCC2)C(C)C ZINC001560818279 938277607 /nfs/dbraw/zinc/27/76/07/938277607.db2.gz HBZSSYYXGLZZSO-MRXNPFEDSA-N 0 3 256.393 3.016 20 30 CGEDHN C#C[C@@H](NCc1ccc2c(c1)OC(F)(F)O2)C(C)(C)C ZINC001560863190 938280108 /nfs/dbraw/zinc/28/01/08/938280108.db2.gz KRSLZMJBCDPBQB-CYBMUJFWSA-N 0 3 281.302 3.146 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCCC(CC)(CC)C1 ZINC001574903494 960470933 /nfs/dbraw/zinc/47/09/33/960470933.db2.gz SDWPOYPUBXKGQJ-CQSZACIVSA-N 0 3 266.429 3.099 20 30 CGEDHN CCCCCCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001565062573 960731598 /nfs/dbraw/zinc/73/15/98/960731598.db2.gz XBRVNRUBYUVTHV-CQSZACIVSA-N 0 3 283.460 3.129 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001565828333 960840632 /nfs/dbraw/zinc/84/06/32/960840632.db2.gz MKSSSQRYXRUMIX-GOSISDBHSA-N 0 3 298.430 3.442 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC(C)C ZINC001565831828 960842210 /nfs/dbraw/zinc/84/22/10/960842210.db2.gz OMZJXWZWPISUNM-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001566751030 961008260 /nfs/dbraw/zinc/00/82/60/961008260.db2.gz UYLMZSNASRYJMY-JONQDZQNSA-N 0 3 290.451 3.062 20 30 CGEDHN C#CCN1CCC[C@H](CNC(=O)C[C@@H](C)CCCCC)C1 ZINC001566878149 961031151 /nfs/dbraw/zinc/03/11/51/961031151.db2.gz MYCTXGLYSXPFST-DLBZAZTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C=C1CCC1 ZINC001567247594 961152249 /nfs/dbraw/zinc/15/22/49/961152249.db2.gz MRYNXMNEIVUING-OAHLLOKOSA-N 0 3 296.842 3.210 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCCN1C/C=C/c1ccccc1 ZINC001567367117 961313507 /nfs/dbraw/zinc/31/35/07/961313507.db2.gz VLKKQTMAKKDZDY-JGZYNSJSSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCN[C@H](CNC(=O)C[C@@H]1CC=CCC1)c1ccccc1 ZINC001567663933 961391896 /nfs/dbraw/zinc/39/18/96/961391896.db2.gz TXGLWMRJJBLTPT-SJLPKXTDSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CCCC(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C ZINC001568446533 961575866 /nfs/dbraw/zinc/57/58/66/961575866.db2.gz XQJZJPXXSZPXSU-LLVKDONJSA-N 0 3 293.238 3.002 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1CCCCCC1 ZINC001568611534 961620822 /nfs/dbraw/zinc/62/08/22/961620822.db2.gz HOOQCKUOVYVUOS-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)CNCc1ccccc1Cl ZINC001569076940 961678624 /nfs/dbraw/zinc/67/86/24/961678624.db2.gz ATFSNAFDRYYOOY-ZDUSSCGKSA-N 0 3 294.826 3.291 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(CC(C)C)s1 ZINC001569121235 961697248 /nfs/dbraw/zinc/69/72/48/961697248.db2.gz CXOHKWJVUABRJR-CYBMUJFWSA-N 0 3 294.464 3.183 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(CC)CCCC2)C1 ZINC001569723199 961840845 /nfs/dbraw/zinc/84/08/45/961840845.db2.gz DGJXDKLEODXFPW-QGZVFWFLSA-N 0 3 292.467 3.361 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001570540697 961989249 /nfs/dbraw/zinc/98/92/49/961989249.db2.gz RPKBXONPGJFYKK-FUHWJXTLSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CC2(C)CCCCC2)C(C)(C)C1 ZINC001570898788 962106947 /nfs/dbraw/zinc/10/69/47/962106947.db2.gz BCKUQNGZEWLRCK-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1ccccc1F)C(C)C ZINC001571609686 962183146 /nfs/dbraw/zinc/18/31/46/962183146.db2.gz PURXCAIYZJYAPP-UHFFFAOYSA-N 0 3 292.398 3.184 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1ccc(C)o1)C(C)C ZINC001571615167 962187855 /nfs/dbraw/zinc/18/78/55/962187855.db2.gz HZGTZESIEVNGOH-HNNXBMFYSA-N 0 3 292.423 3.046 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(-c3ccc(N)cc3)n2)C1 ZINC001580056676 962689156 /nfs/dbraw/zinc/68/91/56/962689156.db2.gz YRYGASPWHOKNKA-XJKSGUPXSA-N 0 3 292.386 3.113 20 30 CGEDHN C=CCC[C@@H](C)[NH2+]C1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588577278 963282837 /nfs/dbraw/zinc/28/28/37/963282837.db2.gz FLZHLJPPACGXBU-CYBMUJFWSA-N 0 3 297.406 3.190 20 30 CGEDHN C=CCC[C@@H](C)[NH2+]C1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588577278 963282849 /nfs/dbraw/zinc/28/28/49/963282849.db2.gz FLZHLJPPACGXBU-CYBMUJFWSA-N 0 3 297.406 3.190 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000589747767 346810387 /nfs/dbraw/zinc/81/03/87/346810387.db2.gz GZJKIWAJOAOZHJ-KRWDZBQOSA-N 0 3 294.402 3.131 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000590022556 346822470 /nfs/dbraw/zinc/82/24/70/346822470.db2.gz AKUZRARFEIPSLL-SFHVURJKSA-N 0 3 284.403 3.115 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](CO)c2ccccc2OC)C1 ZINC000651713715 398273621 /nfs/dbraw/zinc/27/36/21/398273621.db2.gz APZHKDLASDBAID-IJEWVQPXSA-N 0 3 275.392 3.063 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)NC1CCC(C)(C#N)CC1 ZINC000590646213 346858536 /nfs/dbraw/zinc/85/85/36/346858536.db2.gz IYWRUZNKQMAWDP-ZZJLNTIPSA-N 0 3 261.369 3.415 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCO[C@H]2c2ccncc2)c1 ZINC000337859718 214289525 /nfs/dbraw/zinc/28/95/25/214289525.db2.gz AXIBNIGGUWTGQY-HOTGVXAUSA-N 0 3 299.399 3.025 20 30 CGEDHN N#CC1(CCN2CCC[C@H](n3ccnc3)C2)CCCCC1 ZINC000591013258 346894429 /nfs/dbraw/zinc/89/44/29/346894429.db2.gz OVEYAIZKALGYON-INIZCTEOSA-N 0 3 286.423 3.384 20 30 CGEDHN COc1cc(CN2CC[C@H](C3CCC3)C2)ccc1C#N ZINC000591267812 346913046 /nfs/dbraw/zinc/91/30/46/346913046.db2.gz BSDHSNKBPOPMOC-INIZCTEOSA-N 0 3 270.376 3.189 20 30 CGEDHN COc1cc(CN2CC[C@@H](C3CCC3)C2)ccc1C#N ZINC000591267813 346912803 /nfs/dbraw/zinc/91/28/03/346912803.db2.gz BSDHSNKBPOPMOC-MRXNPFEDSA-N 0 3 270.376 3.189 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc3cc(Cl)cnc3o2)C1 ZINC000591641461 346931487 /nfs/dbraw/zinc/93/14/87/346931487.db2.gz IGKAWTUYYIFZQC-JOYOIKCWSA-N 0 3 275.739 3.263 20 30 CGEDHN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(C)C#N)o1 ZINC000347720559 529718065 /nfs/dbraw/zinc/71/80/65/529718065.db2.gz JCXMLGIJEUBMGB-BZPMIXESSA-N 0 3 274.364 3.301 20 30 CGEDHN C=CCCOCCNCc1ccsc1C(F)(F)F ZINC000623473870 349815308 /nfs/dbraw/zinc/81/53/08/349815308.db2.gz KXKSJVIQSVLCJB-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1csc(C(F)(F)F)c1 ZINC000623539441 349829094 /nfs/dbraw/zinc/82/90/94/349829094.db2.gz OFLCIALYKGVFLE-ZJUUUORDSA-N 0 3 277.311 3.200 20 30 CGEDHN CN1CC[C@@H](NCc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000366989018 529795942 /nfs/dbraw/zinc/79/59/42/529795942.db2.gz VQNFAQCWGJVNAM-RTBURBONSA-N 0 3 291.398 3.093 20 30 CGEDHN CC(C)(C)OC(=O)C1(C)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000592160659 346967991 /nfs/dbraw/zinc/96/79/91/346967991.db2.gz UOVVHZBVVSZPNW-KBPBESRZSA-N 0 3 292.423 3.122 20 30 CGEDHN Cc1cc(C)c([C@@H](C)N2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592151565 346968014 /nfs/dbraw/zinc/96/80/14/346968014.db2.gz NPFFZAZEYXPRAB-NVXWUHKLSA-N 0 3 272.392 3.023 20 30 CGEDHN Cc1ccc([C@@H](CNc2cccnc2C#N)N2CCCC2)o1 ZINC000290540457 197744825 /nfs/dbraw/zinc/74/48/25/197744825.db2.gz IKNWZOHROTWUSW-MRXNPFEDSA-N 0 3 296.374 3.104 20 30 CGEDHN C[C@@H]1CC2(CN1Cc1cc(C#N)ccc1F)CCOCC2 ZINC000592181077 346969440 /nfs/dbraw/zinc/96/94/40/346969440.db2.gz BRRYTSWQUCIWPY-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1cc(CN2CCCC[C@H]2C2CCC2)ccn1 ZINC000592199428 346971490 /nfs/dbraw/zinc/97/14/90/346971490.db2.gz PEZZUUYWQIUHHG-INIZCTEOSA-N 0 3 255.365 3.108 20 30 CGEDHN CN(CCCC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347466940 529879046 /nfs/dbraw/zinc/87/90/46/529879046.db2.gz DTKXIYRCKNBCDC-JKSUJKDBSA-N 0 3 272.392 3.468 20 30 CGEDHN C[C@]1(c2cccc(F)c2)CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000593040843 347030983 /nfs/dbraw/zinc/03/09/83/347030983.db2.gz MPSAELIJPNFXPZ-XKQJLSEDSA-N 0 3 272.367 3.481 20 30 CGEDHN CC(C)(C#N)CCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000593058422 347033928 /nfs/dbraw/zinc/03/39/28/347033928.db2.gz MHLPHRAJKKZLKC-UHFFFAOYSA-N 0 3 278.293 3.293 20 30 CGEDHN C[C@@H](CCC#N)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593116373 347041289 /nfs/dbraw/zinc/04/12/89/347041289.db2.gz LLTHBEWFCXLQMQ-OLZOCXBDSA-N 0 3 260.356 3.480 20 30 CGEDHN CN(Cc1ccc(C#N)cc1F)C(C1CC1)C1CC1 ZINC000050989042 345086238 /nfs/dbraw/zinc/08/62/38/345086238.db2.gz BLZMQGVEUPGZSP-UHFFFAOYSA-N 0 3 258.340 3.318 20 30 CGEDHN COc1ccccc1OCCN(C)Cc1cccc(C#N)c1 ZINC000051401115 345090256 /nfs/dbraw/zinc/09/02/56/345090256.db2.gz NLILFAFITHTRTF-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000067140568 345315758 /nfs/dbraw/zinc/31/57/58/345315758.db2.gz QUFIXGQIRKSEFP-UHFFFAOYSA-N 0 3 292.382 3.124 20 30 CGEDHN CC(C)[C@@H]1CCCN(Cc2ccnc(C#N)c2)CC1 ZINC000079342211 345637497 /nfs/dbraw/zinc/63/74/97/345637497.db2.gz DHMJMSSKOLEFQY-OAHLLOKOSA-N 0 3 257.381 3.211 20 30 CGEDHN Cc1ccc([C@@H](CNc2cnccc2C#N)N2CCCC2)o1 ZINC000094153400 345896616 /nfs/dbraw/zinc/89/66/16/345896616.db2.gz PLTGGAWGRNKWHC-MRXNPFEDSA-N 0 3 296.374 3.104 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000111693183 345951041 /nfs/dbraw/zinc/95/10/41/345951041.db2.gz GYZSVRMKKOKSFA-CQSZACIVSA-N 0 3 278.440 3.064 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC000177543238 232369309 /nfs/dbraw/zinc/36/93/09/232369309.db2.gz XVJHEUVBDGPQES-KBPBESRZSA-N 0 3 258.340 3.319 20 30 CGEDHN N#Cc1ccccc1CN1CCN(C2CCCCC2)CC1 ZINC000178743650 232397482 /nfs/dbraw/zinc/39/74/82/232397482.db2.gz SBMIEWJUMHMFIW-UHFFFAOYSA-N 0 3 283.419 3.009 20 30 CGEDHN C=CCN1CCC(NC(=O)N(CC)CC(CC)CC)CC1 ZINC000171740290 346210883 /nfs/dbraw/zinc/21/08/83/346210883.db2.gz UEVRRACNTDCKAJ-UHFFFAOYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCC(C)(C)C)CC1 ZINC000172351985 346219873 /nfs/dbraw/zinc/21/98/73/346219873.db2.gz FOFXAEQLFBNZDM-CQSZACIVSA-N 0 3 295.471 3.151 20 30 CGEDHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 ZINC000310897365 346471993 /nfs/dbraw/zinc/47/19/93/346471993.db2.gz AMNCQLGNXYADRV-ZWNOBZJWSA-N 0 3 250.292 3.397 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(Cl)s1 ZINC000320805800 346489992 /nfs/dbraw/zinc/48/99/92/346489992.db2.gz WKGUNTNAFHTRJH-UWVGGRQHSA-N 0 3 259.802 3.379 20 30 CGEDHN N#CC1(CNC[C@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000593653032 347099175 /nfs/dbraw/zinc/09/91/75/347099175.db2.gz YCUXYTKIFGMREC-CVEARBPZSA-N 0 3 254.377 3.464 20 30 CGEDHN C=CCN(Cc1ccccc1C(=O)OC)C(C)(C)C ZINC000382487086 346560248 /nfs/dbraw/zinc/56/02/48/346560248.db2.gz WFUQTFSWFYCJKU-UHFFFAOYSA-N 0 3 261.365 3.260 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCCC1 ZINC000593654576 347101042 /nfs/dbraw/zinc/10/10/42/347101042.db2.gz IPBJYOJTEAOVGJ-BZUAXINKSA-N 0 3 276.424 3.255 20 30 CGEDHN N#CC[C@@H]1CCCN(CCCOCc2ccccc2)C1 ZINC000397677612 346584082 /nfs/dbraw/zinc/58/40/82/346584082.db2.gz LCSGUIMFXSUIDV-INIZCTEOSA-N 0 3 272.392 3.219 20 30 CGEDHN N#CC[C@H]1CCCN(CCCOc2ccccc2)C1 ZINC000397823605 346585472 /nfs/dbraw/zinc/58/54/72/346585472.db2.gz LNHTWBIRHBFTJY-OAHLLOKOSA-N 0 3 258.365 3.081 20 30 CGEDHN C[C@H](C(=O)N(CCC#N)CC(C)(C)C)N1[C@H](C)CC[C@@H]1C ZINC000412224179 346607546 /nfs/dbraw/zinc/60/75/46/346607546.db2.gz ZJDBRQJEBYTKOG-QLFBSQMISA-N 0 3 293.455 3.036 20 30 CGEDHN CC(C#N)C(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC000531054367 346646306 /nfs/dbraw/zinc/64/63/06/346646306.db2.gz VSISLWLXAHNBPA-GFCCVEGCSA-N 0 3 298.317 3.394 20 30 CGEDHN Cc1ncsc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000351757132 219197921 /nfs/dbraw/zinc/19/79/21/219197921.db2.gz MYHKFZRYCSMGSR-SNVBAGLBSA-N 0 3 289.379 3.356 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2C[C@@H]2OCC)cc1Cl ZINC000582101385 346677351 /nfs/dbraw/zinc/67/73/51/346677351.db2.gz NPJGVVLGEHMLDZ-ZFWWWQNUSA-N 0 3 281.783 3.172 20 30 CGEDHN C[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584616787 346693731 /nfs/dbraw/zinc/69/37/31/346693731.db2.gz LPYJICLYBNOWID-SMDDNHRTSA-N 0 3 273.336 3.135 20 30 CGEDHN C[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584616784 346693991 /nfs/dbraw/zinc/69/39/91/346693991.db2.gz LPYJICLYBNOWID-BXUZGUMPSA-N 0 3 273.336 3.135 20 30 CGEDHN Cc1cccc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)c1 ZINC000594427274 347173775 /nfs/dbraw/zinc/17/37/75/347173775.db2.gz HSXCSRJOSSGCJO-IAGOWNOFSA-N 0 3 299.418 3.070 20 30 CGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594427321 347173865 /nfs/dbraw/zinc/17/38/65/347173865.db2.gz IITRYDADYMFRRT-KFWWJZLASA-N 0 3 293.455 3.119 20 30 CGEDHN CCC(CC)N(CC(C)C)C(=O)[C@@H](N)CCCCC#N ZINC000594445712 347174770 /nfs/dbraw/zinc/17/47/70/347174770.db2.gz KNLRUUQPOXHNIR-HNNXBMFYSA-N 0 3 281.444 3.071 20 30 CGEDHN CC(C)(C#N)c1ccc(CNC[C@@H]2CCCCO2)cc1 ZINC000594496334 347178681 /nfs/dbraw/zinc/17/86/81/347178681.db2.gz KEXISZHKOCWEJI-INIZCTEOSA-N 0 3 272.392 3.146 20 30 CGEDHN C[C@H]1CC[C@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000594515065 347185533 /nfs/dbraw/zinc/18/55/33/347185533.db2.gz DUGCPVMQIHKCNV-GWCFXTLKSA-N 0 3 264.369 3.071 20 30 CGEDHN CC(C)[C@H](O)[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000594990797 347250120 /nfs/dbraw/zinc/25/01/20/347250120.db2.gz AIVZLOGGYDTRPB-MOPGFXCFSA-N 0 3 294.398 3.406 20 30 CGEDHN COc1cccc(CNCc2cc(C#N)cs2)c1C ZINC000594998025 347252651 /nfs/dbraw/zinc/25/26/51/347252651.db2.gz FKOVJBVMIDOOES-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccnc1 ZINC000594925334 347230882 /nfs/dbraw/zinc/23/08/82/347230882.db2.gz VZCFILJOCPYJDM-AWEZNQCLSA-N 0 3 277.371 3.488 20 30 CGEDHN N#CC1(c2ccc(CNCCOCC3CCC3)cc2)CC1 ZINC000594948305 347238824 /nfs/dbraw/zinc/23/88/24/347238824.db2.gz ZFIOKQPYATUOJU-UHFFFAOYSA-N 0 3 284.403 3.148 20 30 CGEDHN C=CCCSCCNCc1c(C)nc2sc(C)cn21 ZINC000594960448 347241838 /nfs/dbraw/zinc/24/18/38/347241838.db2.gz QMTDEYMCWHZKKL-UHFFFAOYSA-N 0 3 295.477 3.412 20 30 CGEDHN CC(C)[C@H]1C[C@H](NCC2(C#N)CCCCC2)CCO1 ZINC000594981037 347248011 /nfs/dbraw/zinc/24/80/11/347248011.db2.gz FVIWUXOXDJVYIA-HUUCEWRRSA-N 0 3 264.413 3.254 20 30 CGEDHN CN(CCOc1ccc(F)cc1)CCc1ccc(C#N)cc1 ZINC000595285163 347286452 /nfs/dbraw/zinc/28/64/52/347286452.db2.gz MXOYYMBZQPRZBD-UHFFFAOYSA-N 0 3 298.361 3.251 20 30 CGEDHN N#Cc1ccc(CCN(Cc2cccnc2)C2CC2)cc1 ZINC000595397781 347298595 /nfs/dbraw/zinc/29/85/95/347298595.db2.gz LRHRMKNTDZCGRS-UHFFFAOYSA-N 0 3 277.371 3.160 20 30 CGEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)cn1 ZINC000595058202 347273454 /nfs/dbraw/zinc/27/34/54/347273454.db2.gz ZHAIOJLDMMVDMZ-LBPRGKRZSA-N 0 3 285.778 3.500 20 30 CGEDHN C[C@@H](CC1CCOCC1)NCC1(C#N)CCCCC1 ZINC000595090137 347280404 /nfs/dbraw/zinc/28/04/04/347280404.db2.gz DBJODJSUEDJMCP-AWEZNQCLSA-N 0 3 264.413 3.255 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC000595092117 347281264 /nfs/dbraw/zinc/28/12/64/347281264.db2.gz XGKFLGMJPBPGLO-CABCVRRESA-N 0 3 276.424 3.398 20 30 CGEDHN COc1cccc(C2(N[C@@H]3CC[C@@H](C#N)C3)CCC2)c1 ZINC000595093520 347281979 /nfs/dbraw/zinc/28/19/79/347281979.db2.gz KTGJRTFAFWSRDX-UKRRQHHQSA-N 0 3 270.376 3.356 20 30 CGEDHN CC[C@@H](C)N(CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595598529 347323612 /nfs/dbraw/zinc/32/36/12/347323612.db2.gz FXNRVUPNXSJDNG-RHSMWYFYSA-N 0 3 299.418 3.174 20 30 CGEDHN N#Cc1cccc(OCCN2CCC(c3ccco3)CC2)c1 ZINC000595616431 347328275 /nfs/dbraw/zinc/32/82/75/347328275.db2.gz CBBFEGGHSFGTGM-UHFFFAOYSA-N 0 3 296.370 3.410 20 30 CGEDHN CC(C)CSCCCN1CCC[C@@H](CC#N)C1 ZINC000595621714 347329408 /nfs/dbraw/zinc/32/94/08/347329408.db2.gz XWWCFJTZPRASIJ-AWEZNQCLSA-N 0 3 254.443 3.391 20 30 CGEDHN CO[C@@H](CNC(C)(C)c1cccc(C#N)c1)C1CCC1 ZINC000595633552 347331203 /nfs/dbraw/zinc/33/12/03/347331203.db2.gz VBGPAOVKKBLATL-INIZCTEOSA-N 0 3 272.392 3.198 20 30 CGEDHN CCCCOCCNC(C)(C)c1cccc(C#N)c1 ZINC000595634912 347331298 /nfs/dbraw/zinc/33/12/98/347331298.db2.gz IFVIPSSDOFMGBF-UHFFFAOYSA-N 0 3 260.381 3.200 20 30 CGEDHN C[C@@H]1CCN(CCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000595779728 347355427 /nfs/dbraw/zinc/35/54/27/347355427.db2.gz GVMXUDJXOXBLCX-CABCVRRESA-N 0 3 264.413 3.350 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595786820 347355976 /nfs/dbraw/zinc/35/59/76/347355976.db2.gz HSVPTKWJGRPUGI-ZWKOTPCHSA-N 0 3 284.403 3.339 20 30 CGEDHN Cc1csc([C@@H](C)NCCc2ccc(C#N)cc2)n1 ZINC000595428763 347302219 /nfs/dbraw/zinc/30/22/19/347302219.db2.gz KKJXRDVXFNCBTR-GFCCVEGCSA-N 0 3 271.389 3.217 20 30 CGEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCc1ccc(C#N)cc1 ZINC000595467519 347307512 /nfs/dbraw/zinc/30/75/12/347307512.db2.gz HMWQNLSZNTYWHX-RISCZKNCSA-N 0 3 282.309 3.373 20 30 CGEDHN N#Cc1ccc2c(c1)CN(C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000595559053 347319214 /nfs/dbraw/zinc/31/92/14/347319214.db2.gz CXOVWVGMJCFBIX-IJEWVQPXSA-N 0 3 252.361 3.310 20 30 CGEDHN C[C@@]1(C#N)CCN(C[C@@H]2CCc3ccccc3C2)C1 ZINC000595844565 347367363 /nfs/dbraw/zinc/36/73/63/347367363.db2.gz VBQCKJYEYYPNSF-PBHICJAKSA-N 0 3 254.377 3.027 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@H]2CC2CCC2)nc1 ZINC000595869485 347368974 /nfs/dbraw/zinc/36/89/74/347368974.db2.gz AYXGDFADDOTAGK-KRWDZBQOSA-N 0 3 269.392 3.498 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CC1=CCSC1 ZINC000595888850 347370857 /nfs/dbraw/zinc/37/08/57/347370857.db2.gz PEHCVTHJMIFOGF-LBPRGKRZSA-N 0 3 258.390 3.224 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CC1=CCSC1 ZINC000595888474 347371107 /nfs/dbraw/zinc/37/11/07/347371107.db2.gz NAJJHFBUUJUHSH-GFCCVEGCSA-N 0 3 258.390 3.224 20 30 CGEDHN C[C@H](NCC1(O)CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000596096016 347383320 /nfs/dbraw/zinc/38/33/20/347383320.db2.gz TZWIRLLVIWVNGE-JZLYGMAVSA-N 0 3 290.382 3.289 20 30 CGEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)cc(C)c1O ZINC000597176943 347545125 /nfs/dbraw/zinc/54/51/25/347545125.db2.gz JTVDIJLPLPQKET-CQSZACIVSA-N 0 3 258.365 3.135 20 30 CGEDHN N#CCC[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000597066096 347532550 /nfs/dbraw/zinc/53/25/50/347532550.db2.gz OLPBYFOEYPOWOS-IXDOHACOSA-N 0 3 270.376 3.189 20 30 CGEDHN N#CCC1CN(CCCCCOc2ccccc2)C1 ZINC000597204197 347554341 /nfs/dbraw/zinc/55/43/41/347554341.db2.gz SWKYMPHNAJPCFR-UHFFFAOYSA-N 0 3 258.365 3.081 20 30 CGEDHN N#CC1(CNCC2Cc3ccccc3C2)CCCCC1 ZINC000597225223 347557750 /nfs/dbraw/zinc/55/77/50/347557750.db2.gz PZXNQMKZDLGLGL-UHFFFAOYSA-N 0 3 268.404 3.465 20 30 CGEDHN C[C@H](CCc1ccccc1)CN1CC[C@](C)(C#N)C1 ZINC000597232036 347559719 /nfs/dbraw/zinc/55/97/19/347559719.db2.gz RCCPQUAVGLPXHT-NVXWUHKLSA-N 0 3 256.393 3.491 20 30 CGEDHN COCC1(C2CCC2)CN(Cc2ccc(C#N)c(C)c2)C1 ZINC000597195132 347548545 /nfs/dbraw/zinc/54/85/45/347548545.db2.gz DCLKHCXSLILEAA-UHFFFAOYSA-N 0 3 284.403 3.115 20 30 CGEDHN CC(C)(C)OC(=O)c1ccc(CNCCCCC#N)s1 ZINC000598963362 347701563 /nfs/dbraw/zinc/70/15/63/347701563.db2.gz ODBXGKOPVDSYRS-UHFFFAOYSA-N 0 3 294.420 3.487 20 30 CGEDHN C=C(C)CNCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598980347 347703229 /nfs/dbraw/zinc/70/32/29/347703229.db2.gz UTJIYGPVGMTQMS-UHFFFAOYSA-N 0 3 267.394 3.369 20 30 CGEDHN C[C@@H]1CCN(C[C@@H](O)CC(C)(C)C#N)[C@H](c2ccco2)C1 ZINC000598594306 347668287 /nfs/dbraw/zinc/66/82/87/347668287.db2.gz FROQVICJEVQFIS-ILXRZTDVSA-N 0 3 290.407 3.353 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCCCC[C@@H]1c1ccco1 ZINC000598592798 347668315 /nfs/dbraw/zinc/66/83/15/347668315.db2.gz NGZGCFBVWOUUCL-HUUCEWRRSA-N 0 3 290.407 3.497 20 30 CGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1Cl ZINC000598596315 347669042 /nfs/dbraw/zinc/66/90/42/347669042.db2.gz ZYTIJMPCVNIGAV-RYUDHWBXSA-N 0 3 280.799 3.291 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000598597999 347669187 /nfs/dbraw/zinc/66/91/87/347669187.db2.gz LVPHVGFGRXVWFK-CVEARBPZSA-N 0 3 286.419 3.370 20 30 CGEDHN N#CC[C@@]1(O)CCN(CCCCc2cccc(Cl)c2)C1 ZINC000598623672 347672377 /nfs/dbraw/zinc/67/23/77/347672377.db2.gz ARZVTJWKQKKJPZ-MRXNPFEDSA-N 0 3 292.810 3.013 20 30 CGEDHN Cc1ccc(CN(C)CCC(=O)OC(C)(C)C)cc1C#N ZINC000599313243 347734102 /nfs/dbraw/zinc/73/41/02/347734102.db2.gz WFOGFPZNGJPISF-UHFFFAOYSA-N 0 3 288.391 3.030 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(C)c(C#N)c2)C12CCC2 ZINC000599434851 347744866 /nfs/dbraw/zinc/74/48/66/347744866.db2.gz JWVUXHBPAJJQJK-SJORKVTESA-N 0 3 284.403 3.256 20 30 CGEDHN CCOC[C@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599437761 347745699 /nfs/dbraw/zinc/74/56/99/347745699.db2.gz MASWKBKSVWGCMF-QGZVFWFLSA-N 0 3 272.392 3.258 20 30 CGEDHN Cc1ccc(CN2CCC3(CC3(F)F)CC2)cc1C#N ZINC000599450411 347746211 /nfs/dbraw/zinc/74/62/11/347746211.db2.gz FMXYIUVAVZROHO-UHFFFAOYSA-N 0 3 276.330 3.488 20 30 CGEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599515379 347749726 /nfs/dbraw/zinc/74/97/26/347749726.db2.gz UCMDEAAAJBNXCC-STQMWFEESA-N 0 3 278.346 3.324 20 30 CGEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599515377 347749835 /nfs/dbraw/zinc/74/98/35/347749835.db2.gz UCMDEAAAJBNXCC-BETUJISGSA-N 0 3 278.346 3.324 20 30 CGEDHN Cc1cc(CN2CCCC(F)(F)CC2)ccc1C#N ZINC000599551893 347753749 /nfs/dbraw/zinc/75/37/49/347753749.db2.gz CFCJZUNJYPDLRX-UHFFFAOYSA-N 0 3 264.319 3.488 20 30 CGEDHN C=CC[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000600212121 347793605 /nfs/dbraw/zinc/79/36/05/347793605.db2.gz ADVAFTXMQIPDPF-IAGOWNOFSA-N 0 3 282.387 3.184 20 30 CGEDHN C=CCCSCCNCc1cccc(NC(C)=O)c1 ZINC000601132390 347873343 /nfs/dbraw/zinc/87/33/43/347873343.db2.gz ZYHJGVUOUISVJZ-UHFFFAOYSA-N 0 3 278.421 3.044 20 30 CGEDHN CC(C)(F)CNCc1cccc(OCCCC#N)c1 ZINC000601136899 347873620 /nfs/dbraw/zinc/87/36/20/347873620.db2.gz LTWUDINXOGGXJE-UHFFFAOYSA-N 0 3 264.344 3.207 20 30 CGEDHN COc1cccc2c1OCCC[C@@H]2NCC1(CC#N)CC1 ZINC000601279841 347888256 /nfs/dbraw/zinc/88/82/56/347888256.db2.gz KCJIHKWGJTZBFW-AWEZNQCLSA-N 0 3 286.375 3.192 20 30 CGEDHN C[C@H](NCc1cccc2c1CCOC2)c1ccc(C#N)cc1 ZINC000601303306 347889969 /nfs/dbraw/zinc/88/99/69/347889969.db2.gz DNGTWXMPMAPKQA-AWEZNQCLSA-N 0 3 292.382 3.482 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000601306248 347890413 /nfs/dbraw/zinc/89/04/13/347890413.db2.gz DQTUJXJGMVGFTO-XXILOJSOSA-N 0 3 254.255 3.160 20 30 CGEDHN CC[C@H](N[C@@H]1CCCn2nccc21)c1ccc(C#N)cc1 ZINC000601321293 347891936 /nfs/dbraw/zinc/89/19/36/347891936.db2.gz ODMZWKNIUISEDW-JKSUJKDBSA-N 0 3 280.375 3.331 20 30 CGEDHN CC(C)[C@@H]1C[C@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602024479 347934144 /nfs/dbraw/zinc/93/41/44/347934144.db2.gz NVFDHROFQJQKPI-DYVFJYSZSA-N 0 3 290.382 3.238 20 30 CGEDHN COc1cc2c(cc1OC)CN(C[C@@H](C)CCC#N)CC2 ZINC000602431406 347957382 /nfs/dbraw/zinc/95/73/82/347957382.db2.gz CYQZCGSZQXNGDO-ZDUSSCGKSA-N 0 3 288.391 3.002 20 30 CGEDHN CCC(CC)CN(CCC#N)CCC[C@H]1CCO1 ZINC000602466002 347962896 /nfs/dbraw/zinc/96/28/96/347962896.db2.gz SQBONQZHQLOSHW-HNNXBMFYSA-N 0 3 252.402 3.207 20 30 CGEDHN CCS[C@@H]1CCCCN(Cc2cccc(C#N)n2)C1 ZINC000602471755 347963563 /nfs/dbraw/zinc/96/35/63/347963563.db2.gz HSFSWRQECZHQDI-OAHLLOKOSA-N 0 3 275.421 3.061 20 30 CGEDHN Cc1ccsc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602526402 347975811 /nfs/dbraw/zinc/97/58/11/347975811.db2.gz WKJWAOANTBIILH-ZDUSSCGKSA-N 0 3 278.421 3.245 20 30 CGEDHN CC[C@H](NC[C@@H](C)CCC#N)c1nc(C)cs1 ZINC000602564791 347983527 /nfs/dbraw/zinc/98/35/27/347983527.db2.gz NXYVNHFZHLILPD-JQWIXIFHSA-N 0 3 251.399 3.432 20 30 CGEDHN C[C@@H](CCC#N)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000602580500 347987379 /nfs/dbraw/zinc/98/73/79/347987379.db2.gz DWRCHCBDFUTACK-RYUDHWBXSA-N 0 3 261.325 3.185 20 30 CGEDHN C[C@H](C1CC1)N(C(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000602582259 347987851 /nfs/dbraw/zinc/98/78/51/347987851.db2.gz QCWUUWQISOKNBP-RHSMWYFYSA-N 0 3 299.418 3.229 20 30 CGEDHN C[C@H](CCC#N)CNCc1nc2cccc(Cl)c2n1C ZINC000602617483 347994626 /nfs/dbraw/zinc/99/46/26/347994626.db2.gz SWFZVVHIZQJXOS-LLVKDONJSA-N 0 3 290.798 3.256 20 30 CGEDHN N#Cc1cccc(CNC2(Cc3cccc(F)c3)CCC2)n1 ZINC000602623731 347996019 /nfs/dbraw/zinc/99/60/19/347996019.db2.gz ZKSCVOSSOCPCSF-UHFFFAOYSA-N 0 3 295.361 3.347 20 30 CGEDHN CCN(Cc1cccc(C#N)n1)[C@H](C)Cc1ccsc1 ZINC000602622601 347996192 /nfs/dbraw/zinc/99/61/92/347996192.db2.gz BANOTRBAPBTSLJ-CYBMUJFWSA-N 0 3 285.416 3.468 20 30 CGEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@H]1CC1(F)F ZINC000602638706 347998429 /nfs/dbraw/zinc/99/84/29/347998429.db2.gz GFNZLDKFCGLZSM-CUOATXAZSA-N 0 3 262.303 3.179 20 30 CGEDHN CCC[C@]1(C(=O)OCC)CCCN1C[C@H](C)CCC#N ZINC000602637167 347998433 /nfs/dbraw/zinc/99/84/33/347998433.db2.gz LPRMOZPMTIXPIP-GDBMZVCRSA-N 0 3 280.412 3.124 20 30 CGEDHN C[C@H](CCOCc1ccccc1)NCc1cccc(C#N)n1 ZINC000602663086 348003624 /nfs/dbraw/zinc/00/36/24/348003624.db2.gz SXVNWWBVTGIMOL-OAHLLOKOSA-N 0 3 295.386 3.038 20 30 CGEDHN C[C@@H](CCC#N)CN[C@H](Cc1ccccc1)c1nccn1C ZINC000602698274 348012112 /nfs/dbraw/zinc/01/21/12/348012112.db2.gz JFXABMWNJSYFLR-DOTOQJQBSA-N 0 3 296.418 3.233 20 30 CGEDHN C[C@@H](CCC#N)CN[C@@H](Cc1ccccc1)c1nccn1C ZINC000602698279 348012152 /nfs/dbraw/zinc/01/21/52/348012152.db2.gz JFXABMWNJSYFLR-RDJZCZTQSA-N 0 3 296.418 3.233 20 30 CGEDHN CC[C@H](C)[C@H](CNCC1(C#N)CCCCC1)OC ZINC000602717823 348016387 /nfs/dbraw/zinc/01/63/87/348016387.db2.gz DIXHOPLMNIOWNQ-KBPBESRZSA-N 0 3 252.402 3.111 20 30 CGEDHN C[C@@H](CCC#N)CN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000602720214 348017253 /nfs/dbraw/zinc/01/72/53/348017253.db2.gz DUUDXKUWLSPINN-ZDUSSCGKSA-N 0 3 286.423 3.072 20 30 CGEDHN CCc1ccc([C@H](COC)NC2CCC(C#N)CC2)o1 ZINC000602546283 347979416 /nfs/dbraw/zinc/97/94/16/347979416.db2.gz IUBQOSKVMMVNDJ-PIMMBPRGSA-N 0 3 276.380 3.201 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCCCC2 ZINC000602548197 347979883 /nfs/dbraw/zinc/97/98/83/347979883.db2.gz RQOQYRILCCHPCL-SJORKVTESA-N 0 3 299.418 3.171 20 30 CGEDHN C[C@@H](CN(C)C(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000602560787 347982044 /nfs/dbraw/zinc/98/20/44/347982044.db2.gz UICZFIZZJZZBHP-GOEBONIOSA-N 0 3 293.455 3.072 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC(C)(C)CO1 ZINC000602844667 348036455 /nfs/dbraw/zinc/03/64/55/348036455.db2.gz FUBKMIJYKZYYBH-BBRMVZONSA-N 0 3 272.392 3.366 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000602857647 348037733 /nfs/dbraw/zinc/03/77/33/348037733.db2.gz WYBXSYWXZPRRBL-QGZVFWFLSA-N 0 3 295.361 3.472 20 30 CGEDHN N#CCC1(CN2CCC(Cc3nccs3)CC2)CC1 ZINC000602957553 348047764 /nfs/dbraw/zinc/04/77/64/348047764.db2.gz VYYLOCRLZUZPGD-UHFFFAOYSA-N 0 3 275.421 3.091 20 30 CGEDHN COc1cncc(/C=C\CCN(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602982620 348052175 /nfs/dbraw/zinc/05/21/75/348052175.db2.gz VOFOUBGFCGUEJX-ZFZABWBQSA-N 0 3 285.391 3.118 20 30 CGEDHN CN(C)CCOc1ccc(CNc2ccccc2C#N)cc1 ZINC000603866143 348100051 /nfs/dbraw/zinc/10/00/51/348100051.db2.gz IBHUVEQEHFSGJP-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000606902743 348206557 /nfs/dbraw/zinc/20/65/57/348206557.db2.gz ZGNSPVVFSZURNV-IYBDPMFKSA-N 0 3 280.456 3.169 20 30 CGEDHN CC(C)CN(CCc1ccc(F)cc1)C(=O)C(C)C#N ZINC000610422170 348382436 /nfs/dbraw/zinc/38/24/36/348382436.db2.gz YOTRMIOULMLMGL-ZDUSSCGKSA-N 0 3 276.355 3.012 20 30 CGEDHN CC(C#N)C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000609848241 348354350 /nfs/dbraw/zinc/35/43/50/348354350.db2.gz OBAITGPUILAJNH-CQSZACIVSA-N 0 3 278.355 3.226 20 30 CGEDHN CCCCN(C(=O)C(C)C#N)[C@@H](C)c1ccc(C)o1 ZINC000609920752 348357922 /nfs/dbraw/zinc/35/79/22/348357922.db2.gz GOGJCFAXFKSUJW-YPMHNXCESA-N 0 3 262.353 3.437 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000609921034 348358050 /nfs/dbraw/zinc/35/80/50/348358050.db2.gz GAIFNAYZDVTXNS-QWHCGFSZSA-N 0 3 288.391 3.027 20 30 CGEDHN CCC[C@]1(C)CCCN(Cc2ccnc(C#N)c2)C1 ZINC000610993751 348415976 /nfs/dbraw/zinc/41/59/76/348415976.db2.gz HCZLPJHJXQUGAN-MRXNPFEDSA-N 0 3 257.381 3.355 20 30 CGEDHN CCC[C@@H](C)[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994541 348416819 /nfs/dbraw/zinc/41/68/19/348416819.db2.gz SYIPQSCAQHXVDC-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@]1(c2ccccc2)CCN(Cc2ccnc(C#N)c2)C1 ZINC000610994820 348417169 /nfs/dbraw/zinc/41/71/69/348417169.db2.gz RVPJDQJYFVKOFJ-SFHVURJKSA-N 0 3 277.371 3.117 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000610681853 348396124 /nfs/dbraw/zinc/39/61/24/348396124.db2.gz HIUZFHBZVRQXEP-KZNAEPCWSA-N 0 3 291.483 3.369 20 30 CGEDHN C[C@@H](NCCN1Cc2ccccc2C1)c1ccc(C#N)cc1 ZINC000611438189 348452456 /nfs/dbraw/zinc/45/24/56/348452456.db2.gz DRNVTMCCWSKSBN-OAHLLOKOSA-N 0 3 291.398 3.225 20 30 CGEDHN CC[C@H](C)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553337 348460457 /nfs/dbraw/zinc/46/04/57/348460457.db2.gz WYOQPQBKXCGTAE-YOEHRIQHSA-N 0 3 289.398 3.054 20 30 CGEDHN C[C@H](NCC1(O)CCC(C)CC1)c1ccc(C#N)cc1F ZINC000612190159 348500596 /nfs/dbraw/zinc/50/05/96/348500596.db2.gz TZVFRBUTKHQNRT-JZLYGMAVSA-N 0 3 290.382 3.289 20 30 CGEDHN COCC(C)(C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614164637 348653328 /nfs/dbraw/zinc/65/33/28/348653328.db2.gz KQYZLUDKMRFEHK-UHFFFAOYSA-N 0 3 260.381 3.002 20 30 CGEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cnn(C)c1 ZINC000614185009 348656870 /nfs/dbraw/zinc/65/68/70/348656870.db2.gz GGAKHLXJRXLIMV-ZDUSSCGKSA-N 0 3 282.391 3.072 20 30 CGEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cnn(C)c1 ZINC000614185004 348656999 /nfs/dbraw/zinc/65/69/99/348656999.db2.gz GGAKHLXJRXLIMV-CYBMUJFWSA-N 0 3 282.391 3.072 20 30 CGEDHN C[C@H](Cc1ccccc1)CN1CCC[C@](C)(C#N)C1 ZINC000614247866 348662254 /nfs/dbraw/zinc/66/22/54/348662254.db2.gz MIGCHBHKLLXBLL-NVXWUHKLSA-N 0 3 256.393 3.491 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC([C@H]2CCOC2)CC1 ZINC000614963584 348704159 /nfs/dbraw/zinc/70/41/59/348704159.db2.gz IBCZGGJUGCZHTF-KSSFIOAISA-N 0 3 284.403 3.368 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H](C)CC)C(C)C ZINC000616088239 348785568 /nfs/dbraw/zinc/78/55/68/348785568.db2.gz ONIWOIIMFOMABO-JKSUJKDBSA-N 0 3 295.471 3.125 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000617784377 349012391 /nfs/dbraw/zinc/01/23/91/349012391.db2.gz RRXAWGAJEWZTCE-HNNXBMFYSA-N 0 3 286.419 3.177 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3ccc(F)cc32)C1 ZINC000618571683 349108703 /nfs/dbraw/zinc/10/87/03/349108703.db2.gz JUYVJKRZIZNTSJ-XFJVYGCCSA-N 0 3 258.340 3.485 20 30 CGEDHN C[C@@H](CCC#N)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000618888354 349176277 /nfs/dbraw/zinc/17/62/77/349176277.db2.gz WIPMUWILUKVMAE-FUHWJXTLSA-N 0 3 286.419 3.260 20 30 CGEDHN C[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1nc(-c2ccccc2)no1 ZINC000619673371 349269813 /nfs/dbraw/zinc/26/98/13/349269813.db2.gz KIYQKNYCMUNHTN-VNHYZAJKSA-N 0 3 296.374 3.122 20 30 CGEDHN CCOC[C@H](NCC#Cc1ccccc1Cl)C(C)C ZINC000625414322 350168493 /nfs/dbraw/zinc/16/84/93/350168493.db2.gz RQCFUABWTNNYEA-INIZCTEOSA-N 0 3 279.811 3.342 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000625701228 350198609 /nfs/dbraw/zinc/19/86/09/350198609.db2.gz PHSDVMBNTIAYFE-OAHLLOKOSA-N 0 3 272.392 3.140 20 30 CGEDHN C=CCC[C@@H](O)CN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007740 350246268 /nfs/dbraw/zinc/24/62/68/350246268.db2.gz SCOPQZOXKSYXLR-OAHLLOKOSA-N 0 3 299.336 3.391 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000628405751 350529546 /nfs/dbraw/zinc/52/95/46/350529546.db2.gz TUSYIAWXICYDNV-CYBMUJFWSA-N 0 3 291.391 3.110 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000628406334 350529950 /nfs/dbraw/zinc/52/99/50/350529950.db2.gz HSVOKQCAHCGKIG-GFCCVEGCSA-N 0 3 279.355 3.241 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](CCC)c1cc(C)ccn1 ZINC000631603511 351087468 /nfs/dbraw/zinc/08/74/68/351087468.db2.gz RJPLFFGWSICZAF-CABCVRRESA-N 0 3 262.397 3.005 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000633096059 351242581 /nfs/dbraw/zinc/24/25/81/351242581.db2.gz AASYAVMHBFVFBF-DOTOQJQBSA-N 0 3 298.430 3.122 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000271566223 191217182 /nfs/dbraw/zinc/21/71/82/191217182.db2.gz VDAAXTWFQOITMM-HNNXBMFYSA-N 0 3 285.391 3.116 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](CSC)C1 ZINC000292278969 198228667 /nfs/dbraw/zinc/22/86/67/198228667.db2.gz BPXTUULCKCCAIV-AWEZNQCLSA-N 0 3 290.432 3.142 20 30 CGEDHN CSC[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000157246850 188306229 /nfs/dbraw/zinc/30/62/29/188306229.db2.gz FAZYWRXRQPBYRS-OAHLLOKOSA-N 0 3 263.381 3.005 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000292550997 198329954 /nfs/dbraw/zinc/32/99/54/198329954.db2.gz YOMHZJSZMNTYDE-OAHLLOKOSA-N 0 3 260.406 3.133 20 30 CGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCCSCC#N ZINC000157766414 188337298 /nfs/dbraw/zinc/33/72/98/188337298.db2.gz RGLYZWLSAIKJNP-GFCCVEGCSA-N 0 3 294.468 3.244 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccccc1OC(F)F ZINC000271759833 191310149 /nfs/dbraw/zinc/31/01/49/191310149.db2.gz MERQCPCLNLUILM-NEPJUHHUSA-N 0 3 285.334 3.266 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H](O)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000271885244 191389341 /nfs/dbraw/zinc/38/93/41/191389341.db2.gz QQSMSLMSDHUSAJ-LXIYXOSZSA-N 0 3 298.361 3.470 20 30 CGEDHN C[C@H](N[C@H]1CS[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000414225253 235368763 /nfs/dbraw/zinc/36/87/63/235368763.db2.gz IOJCPMHJMYDNII-GBIKHYSHSA-N 0 3 264.369 3.242 20 30 CGEDHN Cc1ccc(-c2n[nH]cc2CNCc2cccc(C#N)c2)o1 ZINC000127322269 138389098 /nfs/dbraw/zinc/38/90/98/138389098.db2.gz NUOGBAOSQKPFCW-UHFFFAOYSA-N 0 3 292.342 3.140 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)ncn2C)c1ccc(C#N)cc1 ZINC000341192171 215869211 /nfs/dbraw/zinc/86/92/11/215869211.db2.gz OHYKYMSYVXIYFU-CYBMUJFWSA-N 0 3 290.370 3.296 20 30 CGEDHN N#Cc1ccccc1OCCN1CC[C@H]1Cc1ccccc1 ZINC000437827791 237359566 /nfs/dbraw/zinc/35/95/66/237359566.db2.gz IEQGDBRNMZRSHO-SFHVURJKSA-N 0 3 292.382 3.254 20 30 CGEDHN C[C@H](Cc1ccccc1F)NCc1ccc(C#N)s1 ZINC000176953791 189017099 /nfs/dbraw/zinc/01/70/99/189017099.db2.gz TYBGQYLTCYTUPO-LLVKDONJSA-N 0 3 274.364 3.480 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)o1)[C@H](C)c1ccccc1 ZINC000177582851 189058470 /nfs/dbraw/zinc/05/84/70/189058470.db2.gz MOQSIYLVUPJNLG-QWHCGFSZSA-N 0 3 254.333 3.433 20 30 CGEDHN C=CCCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000177778121 189069311 /nfs/dbraw/zinc/06/93/11/189069311.db2.gz FLRDERSWJQHIRD-UHFFFAOYSA-N 0 3 292.398 3.072 20 30 CGEDHN CN1CC[C@@H](NCc2ccc(C#N)s2)[C@@H]1c1ccccc1 ZINC000179045764 189164443 /nfs/dbraw/zinc/16/44/43/189164443.db2.gz MQCCAJPRLJYLJR-SJORKVTESA-N 0 3 297.427 3.155 20 30 CGEDHN COCc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000179187498 189175829 /nfs/dbraw/zinc/17/58/29/189175829.db2.gz AEAPHZVFXBNPRJ-UHFFFAOYSA-N 0 3 280.371 3.337 20 30 CGEDHN C[C@@H](CN(C)Cc1ccc(C#N)s1)c1nccs1 ZINC000183263016 189352440 /nfs/dbraw/zinc/35/24/40/189352440.db2.gz ZDJBDTAIGHALRE-JTQLQIEISA-N 0 3 277.418 3.312 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N[C@H](C)C(C)(C)CN(C)C ZINC000302095370 201339268 /nfs/dbraw/zinc/33/92/68/201339268.db2.gz IUMOTCVKLNNPDV-CYBMUJFWSA-N 0 3 287.407 3.149 20 30 CGEDHN CO[C@@H]1C[C@H](N(C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000451856678 240372658 /nfs/dbraw/zinc/37/26/58/240372658.db2.gz SZOKHPONIWSSTC-JKSUJKDBSA-N 0 3 288.366 3.087 20 30 CGEDHN C=CCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000121223446 370841079 /nfs/dbraw/zinc/84/10/79/370841079.db2.gz OJXIXCYMOPKCHF-CYBMUJFWSA-N 0 3 285.391 3.100 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OC(F)F)cc1 ZINC000121096629 370829768 /nfs/dbraw/zinc/82/97/68/370829768.db2.gz YRGVABAPPFMCRE-CYBMUJFWSA-N 0 3 285.334 3.047 20 30 CGEDHN CCC[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000419316984 283938316 /nfs/dbraw/zinc/93/83/16/283938316.db2.gz RGMHGYKCMLYAPE-IRXDYDNUSA-N 0 3 299.418 3.033 20 30 CGEDHN C[C@H](CCCc1cccnc1)NCc1ccccc1C#N ZINC000459630931 242153573 /nfs/dbraw/zinc/15/35/73/242153573.db2.gz BQOANYGYPUJZPP-OAHLLOKOSA-N 0 3 279.387 3.454 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000459754525 242213574 /nfs/dbraw/zinc/21/35/74/242213574.db2.gz OFUIDKMSFDSUJS-ZDUSSCGKSA-N 0 3 285.366 3.099 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)s1 ZINC000487798766 243473025 /nfs/dbraw/zinc/47/30/25/243473025.db2.gz KMZFLRLJSAYURP-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN Cc1ccc(CNCc2cccc(C#N)c2)c(C)c1 ZINC000037501700 369087844 /nfs/dbraw/zinc/08/78/44/369087844.db2.gz RMEWIBDQXARKKM-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN CCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000037501709 369088114 /nfs/dbraw/zinc/08/81/14/369088114.db2.gz IPKYZKRVZVFFTC-UHFFFAOYSA-N 0 3 266.344 3.247 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc(F)cc2)n1 ZINC000041520436 369189838 /nfs/dbraw/zinc/18/98/38/369189838.db2.gz AKUGBAFLKMTLIY-NSHDSACASA-N 0 3 260.293 3.081 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000044814698 369270092 /nfs/dbraw/zinc/27/00/92/369270092.db2.gz CDZIQRFWMVHWAL-HNNXBMFYSA-N 0 3 278.355 3.375 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(Br)cc1 ZINC000051663563 369451855 /nfs/dbraw/zinc/45/18/55/369451855.db2.gz GKPUTGZROKLKAC-JTQLQIEISA-N 0 3 252.155 3.123 20 30 CGEDHN C=CCCN(C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000276198501 193240062 /nfs/dbraw/zinc/24/00/62/193240062.db2.gz YGQCWFVYPSFIHJ-UHFFFAOYSA-N 0 3 255.365 3.393 20 30 CGEDHN C[C@@H](CN1CCCCC1)Nc1cc(Cl)ccc1C#N ZINC000062785407 369629582 /nfs/dbraw/zinc/62/95/82/369629582.db2.gz LXQJGBBGIZMZNO-LBPRGKRZSA-N 0 3 277.799 3.498 20 30 CGEDHN C=CCCN(C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000276438806 193330270 /nfs/dbraw/zinc/33/02/70/193330270.db2.gz OHLGWXXQYVPVCC-UHFFFAOYSA-N 0 3 298.386 3.218 20 30 CGEDHN C=CCC[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccco1 ZINC000276436079 193330676 /nfs/dbraw/zinc/33/06/76/193330676.db2.gz JNQRYPCQBIBUIG-BFUOFWGJSA-N 0 3 283.437 3.424 20 30 CGEDHN C=CCCN(C)C[C@H](O)c1ccc(F)cc1Cl ZINC000276486349 193351492 /nfs/dbraw/zinc/35/14/92/193351492.db2.gz UEWYGZVSEANMJK-ZDUSSCGKSA-N 0 3 257.736 3.020 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000076734403 369941061 /nfs/dbraw/zinc/94/10/61/369941061.db2.gz RJEQQAPALCACNX-MRXNPFEDSA-N 0 3 288.435 3.240 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc2c(c1)CCC2 ZINC000090883532 370069554 /nfs/dbraw/zinc/06/95/54/370069554.db2.gz WGHNDZHANKSYDZ-CQSZACIVSA-N 0 3 259.393 3.419 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)cs2)C12CCC2 ZINC000092041112 370090450 /nfs/dbraw/zinc/09/04/50/370090450.db2.gz QZIXQRMOUJSHPW-GJZGRUSLSA-N 0 3 290.432 3.399 20 30 CGEDHN C=CCOc1ccc(CN(CC)CCOCC)cc1 ZINC000092537551 370098060 /nfs/dbraw/zinc/09/80/60/370098060.db2.gz BHTPELXXLMUKMP-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)cs2)C1(C)C ZINC000093605411 370146860 /nfs/dbraw/zinc/14/68/60/370146860.db2.gz OHRFGJFCWDDKJE-UONOGXRCSA-N 0 3 278.421 3.255 20 30 CGEDHN C[C@@H](O)CN(Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000104684837 370347798 /nfs/dbraw/zinc/34/77/98/370347798.db2.gz PGHAQBPHRHYRNN-CYBMUJFWSA-N 0 3 290.382 3.213 20 30 CGEDHN C=CC[C@@H](C)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000116853709 370571229 /nfs/dbraw/zinc/57/12/29/370571229.db2.gz KCXPRUGBTBWWDR-CQSZACIVSA-N 0 3 286.419 3.365 20 30 CGEDHN N#CCCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130051253 371009993 /nfs/dbraw/zinc/00/99/93/371009993.db2.gz ZZXIUYYUFLMSMJ-UHFFFAOYSA-N 0 3 273.336 3.253 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](CCOC)Cc1cccc(F)c1 ZINC000133201980 371235436 /nfs/dbraw/zinc/23/54/36/371235436.db2.gz ISMZUKCRONJOFR-JKSUJKDBSA-N 0 3 278.371 3.055 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](CCOC)Cc1cccc(F)c1 ZINC000133201832 371235684 /nfs/dbraw/zinc/23/56/84/371235684.db2.gz ISMZUKCRONJOFR-CVEARBPZSA-N 0 3 278.371 3.055 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000133380528 371246579 /nfs/dbraw/zinc/24/65/79/371246579.db2.gz HKSUZEMJRBQFCN-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN CC(=O)NC1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000133628738 371267668 /nfs/dbraw/zinc/26/76/68/371267668.db2.gz GBTWURVLXZOECV-ABHNRTSZSA-N 0 3 299.418 3.068 20 30 CGEDHN C[C@]1(CNCc2ccc(C#N)cc2F)CCCS1 ZINC000134195128 371310763 /nfs/dbraw/zinc/31/07/63/371310763.db2.gz IQOFIWHKNLFLBM-CQSZACIVSA-N 0 3 264.369 3.073 20 30 CGEDHN N#Cc1ccnc(NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000286715035 371542327 /nfs/dbraw/zinc/54/23/27/371542327.db2.gz CSQSOICOXHCYPD-KRWDZBQOSA-N 0 3 292.386 3.202 20 30 CGEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1 ZINC000153828803 371791550 /nfs/dbraw/zinc/79/15/50/371791550.db2.gz BQJNYKBDHPPCBR-UHFFFAOYSA-N 0 3 283.293 3.421 20 30 CGEDHN CCC(CC)N(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000344044716 217025011 /nfs/dbraw/zinc/02/50/11/217025011.db2.gz XJXCLWRUTGRYKW-UHFFFAOYSA-N 0 3 273.380 3.007 20 30 CGEDHN CC#CCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000155073402 371902899 /nfs/dbraw/zinc/90/28/99/371902899.db2.gz FRZXJSWPYLTUFN-CQSZACIVSA-N 0 3 263.406 3.143 20 30 CGEDHN CC#CCCN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000155072492 371903411 /nfs/dbraw/zinc/90/34/11/371903411.db2.gz NJCUETOVGYSNCN-MRXNPFEDSA-N 0 3 273.376 3.254 20 30 CGEDHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000290195237 371928789 /nfs/dbraw/zinc/92/87/89/371928789.db2.gz PAMQPIJBHHQKGD-SFHVURJKSA-N 0 3 297.402 3.488 20 30 CGEDHN CC#CCCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000156531003 371983089 /nfs/dbraw/zinc/98/30/89/371983089.db2.gz SFWMMYXOOMOQDB-KRWDZBQOSA-N 0 3 299.418 3.076 20 30 CGEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000156581530 371987192 /nfs/dbraw/zinc/98/71/92/371987192.db2.gz WFWHMCWQMJEZOZ-CQSZACIVSA-N 0 3 294.439 3.370 20 30 CGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000157213309 372011717 /nfs/dbraw/zinc/01/17/17/372011717.db2.gz VWYZOMGLWMNYAL-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000424749750 372097027 /nfs/dbraw/zinc/09/70/27/372097027.db2.gz FGPDCMZSKOQWRC-HNNXBMFYSA-N 0 3 288.435 3.225 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc2c(c1)ncn2C ZINC000426570672 372165281 /nfs/dbraw/zinc/16/52/81/372165281.db2.gz NTVATCZJHYVOJX-CQSZACIVSA-N 0 3 255.365 3.114 20 30 CGEDHN C=CCN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000291622136 372171234 /nfs/dbraw/zinc/17/12/34/372171234.db2.gz CUSDTKZCDQDKBW-KRWDZBQOSA-N 0 3 275.392 3.017 20 30 CGEDHN Cc1nc(N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1C#N ZINC000291900758 372177179 /nfs/dbraw/zinc/17/71/79/372177179.db2.gz KDGMIFDPVNEHHQ-WMZOPIPTSA-N 0 3 292.386 3.119 20 30 CGEDHN N#CCCCOc1cccc(CNC2CC(F)(F)C2)c1 ZINC000428648822 372242388 /nfs/dbraw/zinc/24/23/88/372242388.db2.gz RIRWIZCXZAIFFC-UHFFFAOYSA-N 0 3 280.318 3.256 20 30 CGEDHN C=CCC(C)(C)C(=O)Nc1ccccc1CCN(C)C ZINC000292254108 372184705 /nfs/dbraw/zinc/18/47/05/372184705.db2.gz FOZHXUUZGWCJEZ-UHFFFAOYSA-N 0 3 274.408 3.332 20 30 CGEDHN N#Cc1ccc(CNCCCc2ccc(O)cc2)c(F)c1 ZINC000344302974 217140623 /nfs/dbraw/zinc/14/06/23/217140623.db2.gz BSDMKWKIWJAMTG-UHFFFAOYSA-N 0 3 284.334 3.125 20 30 CGEDHN N#Cc1ccccc1OC1CCC(NCc2cocn2)CC1 ZINC000428842303 372266829 /nfs/dbraw/zinc/26/68/29/372266829.db2.gz FSHVJDLTFWJBMX-UHFFFAOYSA-N 0 3 297.358 3.026 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(C(F)(F)F)s1 ZINC000428853410 372269580 /nfs/dbraw/zinc/26/95/80/372269580.db2.gz ZMHVODJUMRPOFB-VIFPVBQESA-N 0 3 279.327 3.041 20 30 CGEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000344320644 217148317 /nfs/dbraw/zinc/14/83/17/217148317.db2.gz IKUFWOAYJJRPEJ-STQMWFEESA-N 0 3 288.391 3.329 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344370238 217171864 /nfs/dbraw/zinc/17/18/64/217171864.db2.gz QSCHYWHWYCFSJV-JKSUJKDBSA-N 0 3 290.382 3.333 20 30 CGEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344374205 217174880 /nfs/dbraw/zinc/17/48/80/217174880.db2.gz KWJQCFBXSMYVKM-WBVHZDCISA-N 0 3 290.382 3.333 20 30 CGEDHN C=CCOCCN1CCC(Nc2cccc(C)c2)CC1 ZINC000293885380 372513464 /nfs/dbraw/zinc/51/34/64/372513464.db2.gz UNOZXNCGCGOWOW-UHFFFAOYSA-N 0 3 274.408 3.074 20 30 CGEDHN C=CCOCCN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000293925928 372527014 /nfs/dbraw/zinc/52/70/14/372527014.db2.gz YHRZVLZQELQNFT-ZDUSSCGKSA-N 0 3 280.437 3.217 20 30 CGEDHN CC1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433377117 372600371 /nfs/dbraw/zinc/60/03/71/372600371.db2.gz UXZQEZRWCNKNHH-OAHLLOKOSA-N 0 3 270.376 3.017 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2ccccc2)C1 ZINC000433045364 372580687 /nfs/dbraw/zinc/58/06/87/372580687.db2.gz DXSFARMGJLXYBZ-GOSISDBHSA-N 0 3 298.430 3.067 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNc1ccnc2ccccc21 ZINC000435603887 372784437 /nfs/dbraw/zinc/78/44/37/372784437.db2.gz MARPBKKGZLGPLY-SUMWQHHRSA-N 0 3 268.360 3.050 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)ccc2C)CC1 ZINC000171740006 372820996 /nfs/dbraw/zinc/82/09/96/372820996.db2.gz KMMKALHTGWEJAL-UHFFFAOYSA-N 0 3 287.407 3.075 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccccc1Cl ZINC000435736013 372799677 /nfs/dbraw/zinc/79/96/77/372799677.db2.gz SJKQTPOLQCDBSG-UKRRQHHQSA-N 0 3 265.784 3.411 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437317017 372847197 /nfs/dbraw/zinc/84/71/97/372847197.db2.gz RBQRKJPAQUPAEJ-VFWDIBGWSA-N 0 3 283.158 3.125 20 30 CGEDHN C#CCCOc1ccc(CNCCC(C)(F)F)cc1 ZINC000295960955 372974871 /nfs/dbraw/zinc/97/48/71/372974871.db2.gz HWTKIBBFEYKQGJ-UHFFFAOYSA-N 0 3 267.319 3.224 20 30 CGEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)C[C@H]2C)C1=O ZINC000439318379 372976313 /nfs/dbraw/zinc/97/63/13/372976313.db2.gz QNNBMHAGLPLZDT-NJAFHUGGSA-N 0 3 298.430 3.041 20 30 CGEDHN CN(C)c1cc(CN[C@@H]2CC[C@H](C#N)C2)c2ccccc2n1 ZINC000442790831 373084877 /nfs/dbraw/zinc/08/48/77/373084877.db2.gz MIEOQUYOMNGZGS-DZGCQCFKSA-N 0 3 294.402 3.083 20 30 CGEDHN CC1(C)[C@H](NCc2ccc(Cl)cc2C#N)[C@@H]2CCO[C@H]21 ZINC000296429117 373131545 /nfs/dbraw/zinc/13/15/45/373131545.db2.gz VZQVDTCSPHCIQF-RRFJBIMHSA-N 0 3 290.794 3.115 20 30 CGEDHN C=CCC[C@H](N[C@@H](C)CC(C)(C)O)c1ccco1 ZINC000296458724 373140368 /nfs/dbraw/zinc/14/03/68/373140368.db2.gz NENIDQDFEYLGSP-STQMWFEESA-N 0 3 251.370 3.426 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCCC[C@H]1CC ZINC000444663298 373224357 /nfs/dbraw/zinc/22/43/57/373224357.db2.gz KLBKCPZHVZWPMK-CVEARBPZSA-N 0 3 278.440 3.088 20 30 CGEDHN CCc1ccc([C@@H](CNCc2ccc(C#N)o2)N(C)C)cc1 ZINC000174238042 373271542 /nfs/dbraw/zinc/27/15/42/373271542.db2.gz WOWJVUKDASAQIG-GOSISDBHSA-N 0 3 297.402 3.106 20 30 CGEDHN CCCN(CC(C)C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000297749445 373279616 /nfs/dbraw/zinc/27/96/16/373279616.db2.gz CYJJRXTYHHRMBH-AWEZNQCLSA-N 0 3 287.407 3.253 20 30 CGEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C ZINC000444673150 373229542 /nfs/dbraw/zinc/22/95/42/373229542.db2.gz IBLZWZZBBBDZDX-PBHICJAKSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CCCc1noc(-c2cccc(CN3CCCC3)c2)n1 ZINC000297311579 373266218 /nfs/dbraw/zinc/26/62/18/373266218.db2.gz MWGFUZUSIPSRRU-UHFFFAOYSA-N 0 3 283.375 3.451 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000174378393 373304695 /nfs/dbraw/zinc/30/46/95/373304695.db2.gz ZFMLHOFHNPZFHT-BBRMVZONSA-N 0 3 252.317 3.045 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)o1)COCc1ccccc1 ZINC000174299842 373286669 /nfs/dbraw/zinc/28/66/69/373286669.db2.gz VRWKUWBVWMOBNV-CQSZACIVSA-N 0 3 284.359 3.094 20 30 CGEDHN Cc1ccc(O[C@@H](C)CNCc2ccc(C#N)o2)cc1 ZINC000174593710 373342419 /nfs/dbraw/zinc/34/24/19/373342419.db2.gz ASFJFKINWUEVPX-ZDUSSCGKSA-N 0 3 270.332 3.017 20 30 CGEDHN C=CC[C@H]1N(Cc2cc(C(N)=O)cs2)CCCC1(C)C ZINC000446834513 373369894 /nfs/dbraw/zinc/36/98/94/373369894.db2.gz KOFLKILLAKGVLF-CQSZACIVSA-N 0 3 292.448 3.414 20 30 CGEDHN Cc1ccc(C2(CNC(=O)C(C)C#N)CCC2)cc1C ZINC000447616351 373465584 /nfs/dbraw/zinc/46/55/84/373465584.db2.gz XTKZWQQCZXPMQL-CQSZACIVSA-N 0 3 270.376 3.001 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCCCC2 ZINC000175847821 373527521 /nfs/dbraw/zinc/52/75/21/373527521.db2.gz URQCLPMYAJSEDX-HZPDHXFCSA-N 0 3 288.391 3.369 20 30 CGEDHN CO[C@H](C)c1nc(CNC2CCC(C)(C#N)CC2)cs1 ZINC000449175647 373667607 /nfs/dbraw/zinc/66/76/07/373667607.db2.gz KROSSAAGJQTQMX-XIKARTHZSA-N 0 3 293.436 3.413 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](SC)C1 ZINC000449446221 373724869 /nfs/dbraw/zinc/72/48/69/373724869.db2.gz PAMZBESNZZFNJO-AWEZNQCLSA-N 0 3 263.406 3.189 20 30 CGEDHN N#Cc1csc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000449457219 373740814 /nfs/dbraw/zinc/74/08/14/373740814.db2.gz UGKPZCGKMPOSDA-BZUAXINKSA-N 0 3 290.432 3.135 20 30 CGEDHN C=C(C)CCNCc1c(C(C)C)nc2sc(C)nn21 ZINC000449480542 373769017 /nfs/dbraw/zinc/76/90/17/373769017.db2.gz YQFNFIPIKASVJK-UHFFFAOYSA-N 0 3 278.425 3.278 20 30 CGEDHN CO[C@@](C)(CNCc1cc(C#N)cs1)c1ccccc1 ZINC000449487741 373778024 /nfs/dbraw/zinc/77/80/24/373778024.db2.gz YXVAUOMRTNXPBP-INIZCTEOSA-N 0 3 286.400 3.271 20 30 CGEDHN C[C@H](NCCCC#N)c1cccc(OC(F)F)c1 ZINC000179596445 373893099 /nfs/dbraw/zinc/89/30/99/373893099.db2.gz KVOCTARKLMQBGS-JTQLQIEISA-N 0 3 254.280 3.242 20 30 CGEDHN C=C(CC)CNCc1ccnn1-c1ccccc1C ZINC000449732705 373858383 /nfs/dbraw/zinc/85/83/83/373858383.db2.gz CQSZUBKQMGQUJI-UHFFFAOYSA-N 0 3 255.365 3.237 20 30 CGEDHN N#CCSCCCNC1(c2cccc(F)c2)CC1 ZINC000179704548 373908034 /nfs/dbraw/zinc/90/80/34/373908034.db2.gz VLBNHHLJFIPVGF-UHFFFAOYSA-N 0 3 264.369 3.051 20 30 CGEDHN CCC(CC)(CO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305842098 374119533 /nfs/dbraw/zinc/11/95/33/374119533.db2.gz ZTINRSCYQKVUIP-LBPRGKRZSA-N 0 3 278.371 3.147 20 30 CGEDHN N#Cc1cccc(OCCCN2CCC(C(F)F)CC2)c1 ZINC000307879914 374155326 /nfs/dbraw/zinc/15/53/26/374155326.db2.gz NPXAVRQXSVTIPL-UHFFFAOYSA-N 0 3 294.345 3.304 20 30 CGEDHN CC(C)(CN1CCCC1)NCc1ccc(Cl)cc1C#N ZINC000452091351 374233310 /nfs/dbraw/zinc/23/33/10/374233310.db2.gz BDSKVKUBXWPGKG-UHFFFAOYSA-N 0 3 291.826 3.176 20 30 CGEDHN Cc1c(Cl)cnc(NC(C)(C)CN2CCCC2)c1C#N ZINC000450949651 374187004 /nfs/dbraw/zinc/18/70/04/374187004.db2.gz KLNSFJUCOFJXPI-UHFFFAOYSA-N 0 3 292.814 3.201 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000183019884 374355728 /nfs/dbraw/zinc/35/57/28/374355728.db2.gz ZNYXUNAKPGUNKI-UWVGGRQHSA-N 0 3 259.802 3.379 20 30 CGEDHN C[C@@H](NC[C@@H]1C[C@H]1C1CC1)c1ccc(C#N)cc1F ZINC000453376788 374463531 /nfs/dbraw/zinc/46/35/31/374463531.db2.gz UXGBHGNHQIOERO-DGFSRKRXSA-N 0 3 258.340 3.394 20 30 CGEDHN C=CCC[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1 ZINC000185182631 374602802 /nfs/dbraw/zinc/60/28/02/374602802.db2.gz WLGOSELKPOKZQC-LLVKDONJSA-N 0 3 266.772 3.223 20 30 CGEDHN CCOC(=O)C[C@@](C)(NCc1cc(C#N)cs1)C(C)C ZINC000185232153 374616621 /nfs/dbraw/zinc/61/66/21/374616621.db2.gz GTACHRCAQOYZOX-OAHLLOKOSA-N 0 3 294.420 3.077 20 30 CGEDHN C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000334203400 374657131 /nfs/dbraw/zinc/65/71/31/374657131.db2.gz TYVZDTUTEBITKL-TZMCWYRMSA-N 0 3 288.366 3.450 20 30 CGEDHN C[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000334203394 374657169 /nfs/dbraw/zinc/65/71/69/374657169.db2.gz TYVZDTUTEBITKL-JSGCOSHPSA-N 0 3 288.366 3.450 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000185546812 374684566 /nfs/dbraw/zinc/68/45/66/374684566.db2.gz HJWLDRWBNAMXEO-HNNXBMFYSA-N 0 3 274.408 3.184 20 30 CGEDHN CCOc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185816364 374744367 /nfs/dbraw/zinc/74/43/67/374744367.db2.gz XCPIZGZBMKFIHM-UKRRQHHQSA-N 0 3 258.365 3.257 20 30 CGEDHN C=CCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467293342 374973305 /nfs/dbraw/zinc/97/33/05/374973305.db2.gz JRSJHNAEPZLKQY-UHFFFAOYSA-N 0 3 283.293 3.445 20 30 CGEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(C)C#N)cc1 ZINC000469579716 374990247 /nfs/dbraw/zinc/99/02/47/374990247.db2.gz AGLCCOZXFAZCAB-BPUTZDHNSA-N 0 3 270.376 3.249 20 30 CGEDHN CN(Cc1ccc(Cl)cc1C#N)C1CCC(CO)CC1 ZINC000187300817 375000314 /nfs/dbraw/zinc/00/03/14/375000314.db2.gz AJPPRHWIPKDULN-UHFFFAOYSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCc1ccccn1 ZINC000187721776 375080996 /nfs/dbraw/zinc/08/09/96/375080996.db2.gz BILABDVZRSCGFV-AWEZNQCLSA-N 0 3 265.360 3.189 20 30 CGEDHN C=C(C)[C@H](NC[C@@H](C)OC)c1ccc(F)c(F)c1 ZINC000187790359 375094486 /nfs/dbraw/zinc/09/44/86/375094486.db2.gz RWYPRILSHXHCLT-YGRLFVJLSA-N 0 3 255.308 3.207 20 30 CGEDHN C=C(C)CN(C)CCOc1ccc(F)cc1Cl ZINC000481278097 375163759 /nfs/dbraw/zinc/16/37/59/375163759.db2.gz BBSRHVXRZSLTJR-UHFFFAOYSA-N 0 3 257.736 3.366 20 30 CGEDHN CC[C@H](CN(CC)C(=O)C(C)C#N)c1ccccc1 ZINC000482256492 375169507 /nfs/dbraw/zinc/16/95/07/375169507.db2.gz XXIIZAFOEKKJHP-UONOGXRCSA-N 0 3 258.365 3.188 20 30 CGEDHN C=CCN(CCOC)C[C@@H](C)c1ccc(F)cc1 ZINC000483408806 375179628 /nfs/dbraw/zinc/17/96/28/375179628.db2.gz OVUCWFRLCBJKTA-CYBMUJFWSA-N 0 3 251.345 3.064 20 30 CGEDHN C=CCN(CCOC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000483417963 375179930 /nfs/dbraw/zinc/17/99/30/375179930.db2.gz NRIQDZHPKHGABD-SDNWHVSQSA-N 0 3 290.363 3.133 20 30 CGEDHN C=CCOc1ccccc1CNC/C=C/c1ccncc1 ZINC000487291682 375219639 /nfs/dbraw/zinc/21/96/39/375219639.db2.gz VZIUTJQWBRKSHE-AATRIKPKSA-N 0 3 280.371 3.449 20 30 CGEDHN CCN(CCOCC(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000188871658 375284189 /nfs/dbraw/zinc/28/41/89/375284189.db2.gz IJKZGIKBZQEAAC-LBPRGKRZSA-N 0 3 282.334 3.223 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000488285625 375307110 /nfs/dbraw/zinc/30/71/10/375307110.db2.gz YGOOYKTTWLAHHM-DZGCQCFKSA-N 0 3 262.397 3.498 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000335730496 375384939 /nfs/dbraw/zinc/38/49/39/375384939.db2.gz STUIEPBDZDFWBR-LRDDRELGSA-N 0 3 281.359 3.381 20 30 CGEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000492988573 375458912 /nfs/dbraw/zinc/45/89/12/375458912.db2.gz CZIYGRVSEFJBFB-KGLIPLIRSA-N 0 3 280.412 3.036 20 30 CGEDHN C=CCC[C@@H](O)CN(C)C/C(C)=C/c1ccccc1 ZINC000494232992 375487222 /nfs/dbraw/zinc/48/72/22/375487222.db2.gz FHDXKOYZCOFSKZ-OKACTXMXSA-N 0 3 259.393 3.349 20 30 CGEDHN N#CC(C(=O)c1ccccc1)c1cnc2ccccc2n1 ZINC000190970454 375556412 /nfs/dbraw/zinc/55/64/12/375556412.db2.gz YZIXVSPOZRHOBU-ZDUSSCGKSA-N 0 3 273.295 3.120 20 30 CGEDHN Cc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1C#N ZINC000336096252 375683999 /nfs/dbraw/zinc/68/39/99/375683999.db2.gz XPIOKURHLMRJRY-KSSFIOAISA-N 0 3 294.402 3.146 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1COc2ccccc21 ZINC000192186204 375707583 /nfs/dbraw/zinc/70/75/83/375707583.db2.gz YSIVVJSTAOEKFG-WBMJQRKESA-N 0 3 296.345 3.352 20 30 CGEDHN C=C(C)CCN(CCOC)CCOc1ccc(F)cc1 ZINC000509658250 375781650 /nfs/dbraw/zinc/78/16/50/375781650.db2.gz NFCUMSDEBILJQU-UHFFFAOYSA-N 0 3 281.371 3.119 20 30 CGEDHN Cc1c([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cnn1C ZINC000193025566 375817289 /nfs/dbraw/zinc/81/72/89/375817289.db2.gz PMEKIUQTWMHBAT-CHWSQXEVSA-N 0 3 298.390 3.043 20 30 CGEDHN C=C(C)CCN1CCC[C@]1(CCC)C(=O)OCC ZINC000510781520 375788260 /nfs/dbraw/zinc/78/82/60/375788260.db2.gz PEJBNNPOVPDQFL-OAHLLOKOSA-N 0 3 253.386 3.150 20 30 CGEDHN C[C@H]1CSC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000336586223 375853415 /nfs/dbraw/zinc/85/34/15/375853415.db2.gz MHNLHPVVXMKMLJ-ZANVPECISA-N 0 3 266.797 3.053 20 30 CGEDHN COC(=O)c1cccc(CN[C@H]2CCCC2(C)C)c1C#N ZINC000521731703 375875621 /nfs/dbraw/zinc/87/56/21/375875621.db2.gz DPVLBJFJZBJPEL-HNNXBMFYSA-N 0 3 286.375 3.013 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](c2cccc(C)c2)C(C)C)C1=O ZINC000528771140 375909869 /nfs/dbraw/zinc/90/98/69/375909869.db2.gz RLVAQTTUFFXFTM-IRXDYDNUSA-N 0 3 286.419 3.069 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCCC12CC2)c1nc2ccccc2[nH]1 ZINC000528911296 375914505 /nfs/dbraw/zinc/91/45/05/375914505.db2.gz WJZINULNOONFEB-RYUDHWBXSA-N 0 3 279.343 3.319 20 30 CGEDHN Cc1cc(Cl)ccc1C1=CCN(C(=O)C(C)C#N)CC1 ZINC000529941352 375937007 /nfs/dbraw/zinc/93/70/07/375937007.db2.gz NQQDNTRTEXFDNE-GFCCVEGCSA-N 0 3 288.778 3.424 20 30 CGEDHN CN(CC(=O)Nc1cccc(C#N)c1)C1CCC(C)(C)CC1 ZINC000336854369 376012376 /nfs/dbraw/zinc/01/23/76/376012376.db2.gz NSJYRZKAXNOVSZ-UHFFFAOYSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)[C@@H](C)CC)C1=O ZINC000337135427 376092861 /nfs/dbraw/zinc/09/28/61/376092861.db2.gz NSDNMNAJXVVIHT-DOTOQJQBSA-N 0 3 286.419 3.074 20 30 CGEDHN C[C@H](CNc1cccc(F)c1C#N)N1CCC[C@@H](C)C1 ZINC000195666964 376117580 /nfs/dbraw/zinc/11/75/80/376117580.db2.gz NPHIRKILUGDKNF-CHWSQXEVSA-N 0 3 275.371 3.230 20 30 CGEDHN C=CCN1CC[C@H](N2CC[C@H](C)C3(CCCCC3)C2)C1=O ZINC000337216057 376144084 /nfs/dbraw/zinc/14/40/84/376144084.db2.gz YXKXEZOBHPJQBM-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN CCC1(CNC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000537284772 376158481 /nfs/dbraw/zinc/15/84/81/376158481.db2.gz NTKYWQLQUDBGDJ-INIZCTEOSA-N 0 3 284.403 3.455 20 30 CGEDHN COc1ccc2c(c1)CCCN(CCC(C)(C)C#N)C2 ZINC000537386028 376166106 /nfs/dbraw/zinc/16/61/06/376166106.db2.gz WRILNEBNUONQBI-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C2CCC(CCC)CC2)C1=O ZINC000337262974 376174960 /nfs/dbraw/zinc/17/49/60/376174960.db2.gz WWGZFAZRZFPJDI-UYSNPLJNSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cc(C)c(C)cc1OC(F)F ZINC000538124285 376221198 /nfs/dbraw/zinc/22/11/98/376221198.db2.gz LECRLIYHFDHHAT-CYBMUJFWSA-N 0 3 299.361 3.179 20 30 CGEDHN CCc1cc(OC)ccc1CN1CCC(C)(C#N)CC1 ZINC000337491835 376223756 /nfs/dbraw/zinc/22/37/56/376223756.db2.gz FTGHVVCMDWPNRB-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)(CC)CC1 ZINC000337626619 376232874 /nfs/dbraw/zinc/23/28/74/376232874.db2.gz AQMJNOHBPFBBLX-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN COC[C@H](Cc1ccccc1)N[C@H](C)c1cccc(C#N)c1 ZINC000538395179 376238585 /nfs/dbraw/zinc/23/85/85/376238585.db2.gz FTEPLEOHOGMDLU-BEFAXECRSA-N 0 3 294.398 3.467 20 30 CGEDHN C=CCC[C@H](O)CN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000539887704 376345279 /nfs/dbraw/zinc/34/52/79/376345279.db2.gz UUMBJNVNGQXWTL-ZENOOKHLSA-N 0 3 277.383 3.460 20 30 CGEDHN COCC[C@H](NCc1cc(C#N)ccc1F)C(C)(C)C ZINC000338351972 376345385 /nfs/dbraw/zinc/34/53/85/376345385.db2.gz SIQVIAHJDSBRLH-HNNXBMFYSA-N 0 3 278.371 3.238 20 30 CGEDHN N#Cc1ccc(OCCN[C@@H]2CCc3c2cccc3F)cc1 ZINC000338239898 376295736 /nfs/dbraw/zinc/29/57/36/376295736.db2.gz SNFJUOJPZLACAR-GOSISDBHSA-N 0 3 296.345 3.353 20 30 CGEDHN COCC[C@H](NCc1ccc(F)cc1C#N)C(C)(C)C ZINC000338362155 376350740 /nfs/dbraw/zinc/35/07/40/376350740.db2.gz UJIAKMJBRRGJLP-HNNXBMFYSA-N 0 3 278.371 3.238 20 30 CGEDHN C=CCCN(C)Cc1cccc(Br)c1OC ZINC000338546736 376419991 /nfs/dbraw/zinc/41/99/91/376419991.db2.gz IXWOLJLRNYVRGR-UHFFFAOYSA-N 0 3 284.197 3.466 20 30 CGEDHN C=C(CC)CN(CCc1ccccc1)[C@H]1CCOC1 ZINC000540203845 376366573 /nfs/dbraw/zinc/36/65/73/376366573.db2.gz AKCONFOPFIEKMV-KRWDZBQOSA-N 0 3 259.393 3.286 20 30 CGEDHN C=CCCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000338639031 376456538 /nfs/dbraw/zinc/45/65/38/376456538.db2.gz MHCCHHUMBBJWFH-UHFFFAOYSA-N 0 3 286.419 3.255 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)c(C)c1 ZINC000232314787 376579193 /nfs/dbraw/zinc/57/91/93/376579193.db2.gz QBKZOPKRPJBLEV-CQSZACIVSA-N 0 3 267.376 3.364 20 30 CGEDHN COc1ccc(CN2C[C@@H](C)CC(C)(C)C2)cc1C#N ZINC000543173175 376613589 /nfs/dbraw/zinc/61/35/89/376613589.db2.gz XKJDYRKYOBAGSO-ZDUSSCGKSA-N 0 3 272.392 3.435 20 30 CGEDHN C=C(C)CNCc1c(C)nn(Cc2ccccc2)c1C ZINC000236692569 376683466 /nfs/dbraw/zinc/68/34/66/376683466.db2.gz CZYOYWIBKCWCKO-UHFFFAOYSA-N 0 3 269.392 3.214 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000339458951 376759447 /nfs/dbraw/zinc/75/94/47/376759447.db2.gz DTLYGGWNOOVLIB-CYBMUJFWSA-N 0 3 284.359 3.203 20 30 CGEDHN C=C[C@H](C)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000237244183 376738809 /nfs/dbraw/zinc/73/88/09/376738809.db2.gz BJVIFQWJZYLDOG-ZDUSSCGKSA-N 0 3 261.365 3.314 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](OCC)C1 ZINC000155456309 542124005 /nfs/dbraw/zinc/12/40/05/542124005.db2.gz WWJAWIMRABYLIW-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN CC(C)[C@H](C)N1Cc2cccc(N[C@H](C)C#N)c2C1 ZINC000246236658 376994994 /nfs/dbraw/zinc/99/49/94/376994994.db2.gz VOZPHDKSBAHGPE-OLZOCXBDSA-N 0 3 257.381 3.371 20 30 CGEDHN C[C@@H](NCCN1CCc2ccccc21)c1ccc(C#N)cc1 ZINC000561454987 377229168 /nfs/dbraw/zinc/22/91/68/377229168.db2.gz LCPWDAHTBGMSAE-OAHLLOKOSA-N 0 3 291.398 3.272 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000248650021 377375589 /nfs/dbraw/zinc/37/55/89/377375589.db2.gz WEFXZTVDNBDTEB-ZMSDIMECSA-N 0 3 288.435 3.396 20 30 CGEDHN C=CCCCCCN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000248654635 377377237 /nfs/dbraw/zinc/37/72/37/377377237.db2.gz AQZYJSHEZNCELL-OWCLPIDISA-N 0 3 267.413 3.001 20 30 CGEDHN CC(C)C(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000567510524 377507506 /nfs/dbraw/zinc/50/75/06/377507506.db2.gz FBMBGOGZODUMLA-OAHLLOKOSA-N 0 3 272.392 3.310 20 30 CGEDHN CC(C)(CC#N)CNC[C@H](O)Cc1ccc2ccccc2c1 ZINC000564860848 377480005 /nfs/dbraw/zinc/48/00/05/377480005.db2.gz TXHAMWPGGDPIJY-GOSISDBHSA-N 0 3 296.414 3.273 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000569142588 377527111 /nfs/dbraw/zinc/52/71/11/377527111.db2.gz AXXXQCMHZFZDLE-JKIFEVAISA-N 0 3 292.423 3.427 20 30 CGEDHN Cc1ccc(C2CC2)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000569839279 377531303 /nfs/dbraw/zinc/53/13/03/377531303.db2.gz QXRZRMRWPGIYSG-OAHLLOKOSA-N 0 3 277.327 3.153 20 30 CGEDHN CCC1CCC(N(C)CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000315267944 249098470 /nfs/dbraw/zinc/09/84/70/249098470.db2.gz DFMSHQCUIRYBFC-UHFFFAOYSA-N 0 3 299.418 3.397 20 30 CGEDHN COc1ccc2c(c1)CCCN([C@@H](C)CCC#N)C2 ZINC000573809636 377577927 /nfs/dbraw/zinc/57/79/27/377577927.db2.gz SXIDUFHGUFVXIA-ZDUSSCGKSA-N 0 3 258.365 3.136 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ccc(F)cc1)CC2 ZINC000517204943 249259364 /nfs/dbraw/zinc/25/93/64/249259364.db2.gz IVQPFJIPLKWETN-GOSISDBHSA-N 0 3 296.345 3.353 20 30 CGEDHN Cc1nsc(N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000341836938 377621229 /nfs/dbraw/zinc/62/12/29/377621229.db2.gz AADJPQGSFYUMKF-GRYCIOLGSA-N 0 3 292.452 3.102 20 30 CGEDHN CCO[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C ZINC000342810294 377809730 /nfs/dbraw/zinc/80/97/30/377809730.db2.gz QHHKZCGGJVCCJO-HZPDHXFCSA-N 0 3 284.403 3.341 20 30 CGEDHN N#CCCCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000263721737 377951222 /nfs/dbraw/zinc/95/12/22/377951222.db2.gz OTKPXNNNLZEHDI-UHFFFAOYSA-N 0 3 260.356 3.384 20 30 CGEDHN Cc1ccnc(NC[C@@H](C)N(C)Cc2ccccc2)c1C#N ZINC000343526593 378008067 /nfs/dbraw/zinc/00/80/67/378008067.db2.gz KGWCPZZKRWJTBN-OAHLLOKOSA-N 0 3 294.402 3.194 20 30 CGEDHN CN1CCN(Cc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000343542959 378014076 /nfs/dbraw/zinc/01/40/76/378014076.db2.gz WHNOQFDEUGTDCS-UHFFFAOYSA-N 0 3 291.398 3.205 20 30 CGEDHN C[C@@H](C/N=C/c1cccc(O)c1O)N(C)Cc1ccccc1 ZINC000264636768 377991309 /nfs/dbraw/zinc/99/13/09/377991309.db2.gz LVECSTKIOMCGQN-BXUJETTOSA-N 0 3 298.386 3.037 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2NCC1(CC#N)CC1 ZINC000343493269 377995015 /nfs/dbraw/zinc/99/50/15/377995015.db2.gz OYFWLPREYHKUGU-AWEZNQCLSA-N 0 3 274.339 3.105 20 30 CGEDHN CN(Cc1ccccc1)C1CN(c2ccc(F)cc2C#N)C1 ZINC000343586819 378029321 /nfs/dbraw/zinc/02/93/21/378029321.db2.gz FOWICDNNQCQEFP-UHFFFAOYSA-N 0 3 295.361 3.018 20 30 CGEDHN C=CCOc1cccc(CN2CCCO[C@@H](CC)C2)c1 ZINC000343685503 378066437 /nfs/dbraw/zinc/06/64/37/378066437.db2.gz VFEMSRCIUSREND-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCCCN(C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343742018 378079466 /nfs/dbraw/zinc/07/94/66/378079466.db2.gz OAPXGOOMFVSNJM-INIZCTEOSA-N 0 3 290.382 3.219 20 30 CGEDHN C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268619312 378081672 /nfs/dbraw/zinc/08/16/72/378081672.db2.gz NGULIHPIWNGFLA-SCLBCKFNSA-N 0 3 298.361 3.424 20 30 CGEDHN C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268619309 378081926 /nfs/dbraw/zinc/08/19/26/378081926.db2.gz NGULIHPIWNGFLA-ACJLOTCBSA-N 0 3 298.361 3.424 20 30 CGEDHN CC(C)CCN(CCC#N)CCCCCn1cccn1 ZINC000266739816 378025905 /nfs/dbraw/zinc/02/59/05/378025905.db2.gz NCOREMGLXDIFRO-UHFFFAOYSA-N 0 3 276.428 3.315 20 30 CGEDHN C=CCOc1ccccc1CNCCOCC1CCC1 ZINC000579302134 378148491 /nfs/dbraw/zinc/14/84/91/378148491.db2.gz LGEGCMCITFGOIF-UHFFFAOYSA-N 0 3 275.392 3.158 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccccc1Cl ZINC000268690533 378091322 /nfs/dbraw/zinc/09/13/22/378091322.db2.gz ZQUOATXEDAOGAF-NEPJUHHUSA-N 0 3 253.773 3.318 20 30 CGEDHN C=C[C@](C)(CC)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000343844052 378110964 /nfs/dbraw/zinc/11/09/64/378110964.db2.gz MSCRKGLSZIPRBE-QGZVFWFLSA-N 0 3 290.407 3.168 20 30 CGEDHN CCC(C)(C)[C@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000579960344 378211671 /nfs/dbraw/zinc/21/16/71/378211671.db2.gz NJRJXUATHGELJL-OAHLLOKOSA-N 0 3 297.406 3.002 20 30 CGEDHN C=C(C)CN1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000579387740 378157031 /nfs/dbraw/zinc/15/70/31/378157031.db2.gz JBBDLZYMGHUCRY-UHFFFAOYSA-N 0 3 293.342 3.186 20 30 CGEDHN C[C@@H](C#N)CN(C)CC1CCC(C(F)(F)F)CC1 ZINC000344510667 378173396 /nfs/dbraw/zinc/17/33/96/378173396.db2.gz HOIHBAWPBKHOBB-UNXYVOJBSA-N 0 3 262.319 3.447 20 30 CGEDHN C[C@H](CN(C)Cc1ccc(C#N)cn1)c1ccccc1 ZINC000580209188 378233134 /nfs/dbraw/zinc/23/31/34/378233134.db2.gz WYLIDYVEGOZYOB-CQSZACIVSA-N 0 3 265.360 3.189 20 30 CGEDHN CN(C)c1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000269610567 378243573 /nfs/dbraw/zinc/24/35/73/378243573.db2.gz LTQBBAYSUSRDAF-UHFFFAOYSA-N 0 3 291.398 3.403 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNC[C@H]2CCCOC2)cc1 ZINC000345314225 378254231 /nfs/dbraw/zinc/25/42/31/378254231.db2.gz KAPJXQTZXMBNIX-CQSZACIVSA-N 0 3 297.320 3.073 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@@H]2CCCC[C@H]12 ZINC000583880183 378355078 /nfs/dbraw/zinc/35/50/78/378355078.db2.gz PVXMXBOZOLOFRD-KBRIMQKVSA-N 0 3 269.392 3.354 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000345801617 378372890 /nfs/dbraw/zinc/37/28/90/378372890.db2.gz NAFQWYMCRRCQCV-VIFPVBQESA-N 0 3 284.281 3.216 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000345814484 378376002 /nfs/dbraw/zinc/37/60/02/378376002.db2.gz KRANPOJKPBFYBX-GJZGRUSLSA-N 0 3 292.382 3.483 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000345814486 378376213 /nfs/dbraw/zinc/37/62/13/378376213.db2.gz KRANPOJKPBFYBX-HUUCEWRRSA-N 0 3 292.382 3.483 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000345817308 378377627 /nfs/dbraw/zinc/37/76/27/378377627.db2.gz XUBJEGZBIOAEDE-DTWKUNHWSA-N 0 3 285.174 3.373 20 30 CGEDHN CCN(Cc1ccncc1)Cc1ccc(OCC#N)cc1 ZINC000271002609 378425680 /nfs/dbraw/zinc/42/56/80/378425680.db2.gz KMQQHCPAMNIJOP-UHFFFAOYSA-N 0 3 281.359 3.006 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000271930935 378521497 /nfs/dbraw/zinc/52/14/97/378521497.db2.gz IEEIDXAPVXSRTH-HEHGZKQESA-N 0 3 258.365 3.166 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1cccc(C#N)c1 ZINC000271931904 378522450 /nfs/dbraw/zinc/52/24/50/378522450.db2.gz JVHXFMDCGQSRDF-HEHGZKQESA-N 0 3 258.365 3.166 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCCCO1 ZINC000271927633 378519274 /nfs/dbraw/zinc/51/92/74/378519274.db2.gz FLNCLJXCSIBXAD-OZVIIMIRSA-N 0 3 276.355 3.306 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000637623843 378542015 /nfs/dbraw/zinc/54/20/15/378542015.db2.gz OWTPHUZKPYGUNU-LSDHHAIUSA-N 0 3 295.471 3.103 20 30 CGEDHN CC[C@H](CO)N(CCC(C)(C)C#N)Cc1ccccc1 ZINC000346955779 378698382 /nfs/dbraw/zinc/69/83/82/378698382.db2.gz YPRMMSMMOJUECU-MRXNPFEDSA-N 0 3 274.408 3.199 20 30 CGEDHN C=C(CC)CN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347359163 378717892 /nfs/dbraw/zinc/71/78/92/378717892.db2.gz WFIKYGLTERSGPZ-GJZGRUSLSA-N 0 3 277.433 3.453 20 30 CGEDHN CN1CC=C(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000274009317 378762871 /nfs/dbraw/zinc/76/28/71/378762871.db2.gz UOXZLDADQGGUFV-UHFFFAOYSA-N 0 3 295.308 3.251 20 30 CGEDHN C=C(CN[C@@H]1C[C@@H](OCC)[C@@]12CCCO2)c1ccccc1 ZINC000638439269 378804844 /nfs/dbraw/zinc/80/48/44/378804844.db2.gz RAIYOVVGLPOPBH-KZNAEPCWSA-N 0 3 287.403 3.016 20 30 CGEDHN C=CCOCCCN(C)Cc1cc(C)ccc1F ZINC000348180131 378825373 /nfs/dbraw/zinc/82/53/73/378825373.db2.gz KXQLGGSUVGLQQG-UHFFFAOYSA-N 0 3 251.345 3.159 20 30 CGEDHN C=CC[C@H](C)NCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638608125 378849302 /nfs/dbraw/zinc/84/93/02/378849302.db2.gz AUXZKASTCBBISJ-JTQLQIEISA-N 0 3 287.329 3.292 20 30 CGEDHN C=CCC[C@@H](NC[C@H](CO)c1cccnc1)c1ccco1 ZINC000348245156 378860808 /nfs/dbraw/zinc/86/08/08/378860808.db2.gz OKSFFLHZWCPEMW-HZPDHXFCSA-N 0 3 286.375 3.048 20 30 CGEDHN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccc(C#N)cc1 ZINC000348256390 378867890 /nfs/dbraw/zinc/86/78/90/378867890.db2.gz MKGVCQXFSTXMJC-AGIUHOORSA-N 0 3 250.292 3.253 20 30 CGEDHN CCN(C[C@@H]1CCCO1)[C@H](C)c1cccc(C#N)c1 ZINC000275952608 378960721 /nfs/dbraw/zinc/96/07/21/378960721.db2.gz FPPNAASCXVEEAH-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN CC[C@H](NCc1c(C)nn(C)c1C)c1ccc(C#N)cc1 ZINC000278673198 194095778 /nfs/dbraw/zinc/09/57/78/194095778.db2.gz JJAWYAWZBBOIMH-KRWDZBQOSA-N 0 3 282.391 3.150 20 30 CGEDHN N#Cc1ccccc1OCCN1CC[C@@H](CC(F)(F)F)C1 ZINC000278677398 194097165 /nfs/dbraw/zinc/09/71/65/194097165.db2.gz IOEZUCLVVWWWRD-LBPRGKRZSA-N 0 3 298.308 3.211 20 30 CGEDHN C[C@H]1C[C@@H](c2cccnc2)N(CCCSCC#N)C1 ZINC000372022322 379187052 /nfs/dbraw/zinc/18/70/52/379187052.db2.gz WWZSWUPTKYRHJT-ZFWWWQNUSA-N 0 3 275.421 3.111 20 30 CGEDHN CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278791621 194156842 /nfs/dbraw/zinc/15/68/42/194156842.db2.gz QLTYVSVZRSSZDI-MSOLQXFVSA-N 0 3 280.371 3.333 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](c1ccccc1)c1cncnc1 ZINC000349489947 379292188 /nfs/dbraw/zinc/29/21/88/379292188.db2.gz BRHLIZDAKYAGSY-CJNGLKHVSA-N 0 3 253.349 3.120 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C)c2cnc(C)nc2C)C1 ZINC000639310045 379261609 /nfs/dbraw/zinc/26/16/09/379261609.db2.gz NNYXAPGKKSIEKG-UKRRQHHQSA-N 0 3 259.397 3.443 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccnn2CC2CCC2)C1 ZINC000639349190 379306472 /nfs/dbraw/zinc/30/64/72/379306472.db2.gz WEAJTNWWJJZVHA-AWEZNQCLSA-N 0 3 259.397 3.081 20 30 CGEDHN CCC[C@@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccccc1 ZINC000279671152 379485419 /nfs/dbraw/zinc/48/54/19/379485419.db2.gz NICPGMNJHMVSON-SJORKVTESA-N 0 3 284.359 3.143 20 30 CGEDHN Cc1cc(C#N)cc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000376401285 379549935 /nfs/dbraw/zinc/54/99/35/379549935.db2.gz AAPDNMJVJBXLKP-FUHWJXTLSA-N 0 3 292.386 3.119 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639790714 379587209 /nfs/dbraw/zinc/58/72/09/379587209.db2.gz DWVFAINOXODAEQ-GDBMZVCRSA-N 0 3 279.387 3.221 20 30 CGEDHN C=C(C)CCN[C@H](CCO)c1ccccc1Br ZINC000351755867 379742745 /nfs/dbraw/zinc/74/27/45/379742745.db2.gz JSEHZTMTTYDHAG-CQSZACIVSA-N 0 3 298.224 3.428 20 30 CGEDHN C=CCCCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280870650 379809072 /nfs/dbraw/zinc/80/90/72/379809072.db2.gz OBCUMZBJKBKTJL-ZBFHGGJFSA-N 0 3 295.448 3.025 20 30 CGEDHN C=C[C@@H](CO)NCc1cc(-c2ccccc2)cs1 ZINC000352449191 379820364 /nfs/dbraw/zinc/82/03/64/379820364.db2.gz XUXHQEIMRZYJRE-AWEZNQCLSA-N 0 3 259.374 3.052 20 30 CGEDHN C=C[C@@H](CO)NCc1ccc(-c2ccccc2)s1 ZINC000352454153 379821569 /nfs/dbraw/zinc/82/15/69/379821569.db2.gz RYPSNMBMDORUNC-ZDUSSCGKSA-N 0 3 259.374 3.052 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cnc2ccccc2n1 ZINC000398186684 379929606 /nfs/dbraw/zinc/92/96/06/379929606.db2.gz QEAFUECLRRHWJY-CYBMUJFWSA-N 0 3 255.365 3.464 20 30 CGEDHN N#Cc1ccccc1OCCN1CCCc2ccccc2C1 ZINC000387673604 379877950 /nfs/dbraw/zinc/87/79/50/379877950.db2.gz DQFQAGAHFUYZIR-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN CC1(C)CCN(Cc2ccc(C#N)c(F)c2)CCS1 ZINC000404032010 379977713 /nfs/dbraw/zinc/97/77/13/379977713.db2.gz XKCRBCPYYKSXLL-UHFFFAOYSA-N 0 3 278.396 3.415 20 30 CGEDHN C[C@H](NCCOc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000539496011 288617942 /nfs/dbraw/zinc/61/79/42/288617942.db2.gz BXMWVGKWLJYUSV-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN C[C@@H](CCCC(F)(F)F)NCc1nc(C#N)cs1 ZINC000352851828 380004571 /nfs/dbraw/zinc/00/45/71/380004571.db2.gz IZHSVAUORDAQFT-QMMMGPOBSA-N 0 3 277.315 3.225 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](COC(F)F)C1 ZINC000353023952 380079676 /nfs/dbraw/zinc/07/96/76/380079676.db2.gz GMTMITCEHXAWNQ-YPMHNXCESA-N 0 3 280.318 3.180 20 30 CGEDHN CCCC[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000347914771 218398447 /nfs/dbraw/zinc/39/84/47/218398447.db2.gz OXRIQWGEFVJFBY-IAGOWNOFSA-N 0 3 299.418 3.033 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000411313474 380139115 /nfs/dbraw/zinc/13/91/15/380139115.db2.gz XTPNYALVIGKUQV-WMZOPIPTSA-N 0 3 286.419 3.402 20 30 CGEDHN N#CC1(CCN(CCCCO)C2CC2)CCCCC1 ZINC000411281909 380139686 /nfs/dbraw/zinc/13/96/86/380139686.db2.gz HWNBHSTVMWJTMW-UHFFFAOYSA-N 0 3 264.413 3.087 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000411406118 380144198 /nfs/dbraw/zinc/14/41/98/380144198.db2.gz BKTHPXIERGBAJS-WFASDCNBSA-N 0 3 278.783 3.485 20 30 CGEDHN CC[C@@H]1CN([C@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522361 380148882 /nfs/dbraw/zinc/14/88/82/380148882.db2.gz ALGHUKKJVRDLPH-SJLPKXTDSA-N 0 3 285.435 3.275 20 30 CGEDHN C[C@H](CCC#N)N1CC=C(c2ccc(O)cc2)CC1 ZINC000411141475 380132086 /nfs/dbraw/zinc/13/20/86/380132086.db2.gz ZARBORVHQSWUBA-CYBMUJFWSA-N 0 3 256.349 3.174 20 30 CGEDHN COc1cc(F)cc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353253231 380191174 /nfs/dbraw/zinc/19/11/74/380191174.db2.gz KVYBPKBMNKLRFH-GOSISDBHSA-N 0 3 296.345 3.483 20 30 CGEDHN CC(C)[C@H](NCC(C)(C)CC#N)c1ccc(F)cn1 ZINC000414166281 380196043 /nfs/dbraw/zinc/19/60/43/380196043.db2.gz NEPUNOXKMUMPCO-AWEZNQCLSA-N 0 3 263.360 3.447 20 30 CGEDHN COCCOc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000414168998 380197357 /nfs/dbraw/zinc/19/73/57/380197357.db2.gz RHIKREYHADFUSI-CQSZACIVSA-N 0 3 290.407 3.302 20 30 CGEDHN CCCCOC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000353972023 380259320 /nfs/dbraw/zinc/25/93/20/380259320.db2.gz HKGVYHDUICXYQI-UHFFFAOYSA-N 0 3 272.392 3.339 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccncn1 ZINC000414303441 380211194 /nfs/dbraw/zinc/21/11/94/380211194.db2.gz PHZKSQCYNHTCJD-ZBFHGGJFSA-N 0 3 267.376 3.315 20 30 CGEDHN CC1(C)CC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)O1 ZINC000353594919 380215726 /nfs/dbraw/zinc/21/57/26/380215726.db2.gz IFVCUERTZJGULU-GOEBONIOSA-N 0 3 270.376 3.093 20 30 CGEDHN N#Cc1ccc(CNCCSCC(F)(F)F)s1 ZINC000354283865 380385137 /nfs/dbraw/zinc/38/51/37/380385137.db2.gz UXXQJKXUTIIIAO-UHFFFAOYSA-N 0 3 280.340 3.005 20 30 CGEDHN CC[C@H](CC(F)(F)F)NCc1cccc(C#N)c1 ZINC000354644723 380511338 /nfs/dbraw/zinc/51/13/38/380511338.db2.gz BYEIGQNLWFABEE-GFCCVEGCSA-N 0 3 256.271 3.379 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccccc1OC(C)C ZINC000645107687 380583879 /nfs/dbraw/zinc/58/38/79/380583879.db2.gz RHSRAUAIUBOJFP-AWEZNQCLSA-N 0 3 263.381 3.327 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)CC(C)C ZINC000417326897 380593207 /nfs/dbraw/zinc/59/32/07/380593207.db2.gz BGCUCYFSRJNVFY-DOMZBBRYSA-N 0 3 278.371 3.409 20 30 CGEDHN CN(C)C1(CNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000419003822 380761916 /nfs/dbraw/zinc/76/19/16/380761916.db2.gz DNKBUFMMJFMCAN-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN C=Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418142625 380712357 /nfs/dbraw/zinc/71/23/57/380712357.db2.gz HNXFOURLRLINLN-QGZVFWFLSA-N 0 3 278.359 3.022 20 30 CGEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)C2(C)C)C1=O ZINC000421019054 380871539 /nfs/dbraw/zinc/87/15/39/380871539.db2.gz LVHUDAVRAQHMDU-IRXDYDNUSA-N 0 3 298.430 3.041 20 30 CGEDHN Cc1nc(CCNCc2ccc(C#N)c(F)c2)sc1C ZINC000421340372 380883416 /nfs/dbraw/zinc/88/34/16/380883416.db2.gz ISEPJCIZYFQNTB-UHFFFAOYSA-N 0 3 289.379 3.103 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H]2Cc2ccccc2)cc1F ZINC000421360808 380897279 /nfs/dbraw/zinc/89/72/79/380897279.db2.gz FTMDESFLSTZMSW-AEFFLSMTSA-N 0 3 280.346 3.418 20 30 CGEDHN C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000358337017 381306641 /nfs/dbraw/zinc/30/66/41/381306641.db2.gz DWKPNLCRQDCVNC-FHLIZLRMSA-N 0 3 283.419 3.104 20 30 CGEDHN CC[C@@H](CC#N)NC1CCC2(CCOCC2)CC1 ZINC000358290264 381302131 /nfs/dbraw/zinc/30/21/31/381302131.db2.gz QMKFXFZFAZKPRU-ZDUSSCGKSA-N 0 3 250.386 3.008 20 30 CGEDHN CC(C)[C@H]1N(Cc2ccc(C#N)cc2)CC12CCOCC2 ZINC000334823344 207140683 /nfs/dbraw/zinc/14/06/83/207140683.db2.gz CBWUJYCERZODQT-QGZVFWFLSA-N 0 3 284.403 3.195 20 30 CGEDHN C=C(CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000360214541 381483128 /nfs/dbraw/zinc/48/31/28/381483128.db2.gz WMDNZMBRBUZTLN-XHSDSOJGSA-N 0 3 286.419 3.077 20 30 CGEDHN C[C@@H](NCc1ccc(Cl)cc1C#N)[C@@H]1CCCOC1 ZINC000360232449 381491300 /nfs/dbraw/zinc/49/13/00/381491300.db2.gz AKSFYDSMADMEMN-DGCLKSJQSA-N 0 3 278.783 3.116 20 30 CGEDHN Cn1cc(C(=O)C(C#N)c2ccccn2)c2cc(F)ccc21 ZINC000361665819 381862289 /nfs/dbraw/zinc/86/22/89/381862289.db2.gz ZRXDYLDCGRPOEA-ZDUSSCGKSA-N 0 3 293.301 3.202 20 30 CGEDHN C=C1CCN(Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000361827244 381871874 /nfs/dbraw/zinc/87/18/74/381871874.db2.gz GGVHPNVMEJWSSS-UHFFFAOYSA-N 0 3 267.376 3.333 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000362458309 382001973 /nfs/dbraw/zinc/00/19/73/382001973.db2.gz SBOUSBHXQMHZPF-MRXNPFEDSA-N 0 3 287.407 3.321 20 30 CGEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCN1CCCCC1 ZINC000365739529 382294032 /nfs/dbraw/zinc/29/40/32/382294032.db2.gz PHNHJYCMZVRZPO-RBUKOAKNSA-N 0 3 297.446 3.244 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)o1 ZINC000280639257 194912453 /nfs/dbraw/zinc/91/24/53/194912453.db2.gz NAGCDDRFUSLADJ-HDJSIYSDSA-N 0 3 252.317 3.187 20 30 CGEDHN CCOc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185781102 262070457 /nfs/dbraw/zinc/07/04/57/262070457.db2.gz DQTRQYCOUOSEGA-ZFWWWQNUSA-N 0 3 258.365 3.257 20 30 CGEDHN COc1ccccc1[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000347108115 533020424 /nfs/dbraw/zinc/02/04/24/533020424.db2.gz OBXXMCSXZGWNEN-CXAGYDPISA-N 0 3 294.354 3.060 20 30 CGEDHN C[C@@H](NCCCc1nccs1)c1ccc(C#N)cc1F ZINC000358565427 533391205 /nfs/dbraw/zinc/39/12/05/533391205.db2.gz ZCGYLSXAMAFVEC-LLVKDONJSA-N 0 3 289.379 3.437 20 30 CGEDHN C[C@@H](N[C@H]1CS[C@H](C)C1)c1ccc(C#N)cc1F ZINC000414236858 533547858 /nfs/dbraw/zinc/54/78/58/533547858.db2.gz VVTMEWRUCIZUFQ-CKYFFXLPSA-N 0 3 264.369 3.242 20 30 CGEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1ccccc1C ZINC000191231214 130206738 /nfs/dbraw/zinc/20/67/38/130206738.db2.gz VXNTZTGPERZVRB-UHFFFAOYSA-N 0 3 267.376 3.227 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C)CC1 ZINC000063309244 392137098 /nfs/dbraw/zinc/13/70/98/392137098.db2.gz ABLJHPBSGJJVHH-ZIAGYGMSSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C)CC1 ZINC000068838077 392168890 /nfs/dbraw/zinc/16/88/90/392168890.db2.gz ABLJHPBSGJJVHH-KBPBESRZSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1nccs1)C(C)C ZINC000093396944 392236956 /nfs/dbraw/zinc/23/69/56/392236956.db2.gz ARDLTAKDFIYORM-HUUCEWRRSA-N 0 3 293.480 3.492 20 30 CGEDHN CO[C@]1(C)C[C@H](N(C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361830014 392335296 /nfs/dbraw/zinc/33/52/96/392335296.db2.gz POGNKAVTMATEQR-DOTOQJQBSA-N 0 3 290.382 3.333 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361839309 392341080 /nfs/dbraw/zinc/34/10/80/392341080.db2.gz HVUAXZQHJKEVCZ-CVEARBPZSA-N 0 3 290.382 3.333 20 30 CGEDHN C=CCC[C@H](NCCn1ccnc1C)c1ccco1 ZINC000285967120 392357285 /nfs/dbraw/zinc/35/72/85/392357285.db2.gz GXXJTRINDBMHDB-AWEZNQCLSA-N 0 3 259.353 3.082 20 30 CGEDHN C=CCC[C@H](NCCNc1ccccn1)c1ccco1 ZINC000286023379 392363881 /nfs/dbraw/zinc/36/38/81/392363881.db2.gz JWELMCQXCSJWJI-AWEZNQCLSA-N 0 3 271.364 3.384 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1OCCc2ccccc21 ZINC000263653713 131302195 /nfs/dbraw/zinc/30/21/95/131302195.db2.gz CEFANYUJQMXEGY-IBGZPJMESA-N 0 3 292.382 3.304 20 30 CGEDHN C=C(C)CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000264127606 131397954 /nfs/dbraw/zinc/39/79/54/131397954.db2.gz NMRYIHBUVPXBHP-UHFFFAOYSA-N 0 3 282.391 3.227 20 30 CGEDHN C#CCOc1ccc(CN(CC)Cc2ccncc2)cc1 ZINC000289840356 392435368 /nfs/dbraw/zinc/43/53/68/392435368.db2.gz PGNRGUFQKDZTHY-UHFFFAOYSA-N 0 3 280.371 3.116 20 30 CGEDHN CC#CCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000155073298 392538814 /nfs/dbraw/zinc/53/88/14/392538814.db2.gz FRZXJSWPYLTUFN-AWEZNQCLSA-N 0 3 263.406 3.143 20 30 CGEDHN C=CCCCCCN(C)CC[S@](=O)c1ccccc1 ZINC000150896931 392483496 /nfs/dbraw/zinc/48/34/96/392483496.db2.gz AEBDZFUBUWBGGS-LJQANCHMSA-N 0 3 279.449 3.472 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)n1C ZINC000647375899 392711999 /nfs/dbraw/zinc/71/19/99/392711999.db2.gz IVGLCRJQFYLMEG-NSHDSACASA-N 0 3 285.372 3.158 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000335721871 392811037 /nfs/dbraw/zinc/81/10/37/392811037.db2.gz NWMOLJULVVXTNK-LLVKDONJSA-N 0 3 276.767 3.206 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000335759321 392814557 /nfs/dbraw/zinc/81/45/57/392814557.db2.gz NAFNPNYMLHIUQT-QMTHXVAHSA-N 0 3 276.767 3.057 20 30 CGEDHN C=CCOc1cccc(CN[C@H]2CSC2(C)C)c1 ZINC000338477953 392916087 /nfs/dbraw/zinc/91/60/87/392916087.db2.gz PVHWDGXZICGZGX-AWEZNQCLSA-N 0 3 263.406 3.235 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2CSC2(C)C)c1 ZINC000338477954 392916257 /nfs/dbraw/zinc/91/62/57/392916257.db2.gz PVHWDGXZICGZGX-CQSZACIVSA-N 0 3 263.406 3.235 20 30 CGEDHN CC(C)N(C(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192719357 392858612 /nfs/dbraw/zinc/85/86/12/392858612.db2.gz ZBEBEYSORPEGPK-KRWDZBQOSA-N 0 3 299.418 3.172 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2OC(F)F)cc1 ZINC000337275952 392878131 /nfs/dbraw/zinc/87/81/31/392878131.db2.gz GEVBLSZLYGHSDM-KGLIPLIRSA-N 0 3 280.318 3.198 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000338722273 392925732 /nfs/dbraw/zinc/92/57/32/392925732.db2.gz RILQNKXRRUIATP-ZANVPECISA-N 0 3 296.292 3.432 20 30 CGEDHN C=CCOCCN1CC=C(c2ccc(OCC)cc2)CC1 ZINC000339061871 392943268 /nfs/dbraw/zinc/94/32/68/392943268.db2.gz RIHWISVVAGMQCN-UHFFFAOYSA-N 0 3 287.403 3.377 20 30 CGEDHN CC(C)(C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527207208 392955878 /nfs/dbraw/zinc/95/58/78/392955878.db2.gz WWEKKHCGAUQFID-INIZCTEOSA-N 0 3 297.402 3.183 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)S[C@H](C)C1 ZINC000527482111 392956771 /nfs/dbraw/zinc/95/67/71/392956771.db2.gz HQRMATSGCIJDFN-UPJWGTAASA-N 0 3 260.406 3.445 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1cc(C#N)ccn1)C(C)C ZINC000339970976 392962641 /nfs/dbraw/zinc/96/26/41/392962641.db2.gz WHKSCSRJKHYZJO-MRXNPFEDSA-N 0 3 284.407 3.064 20 30 CGEDHN CC1(C)CN(CCC2(C#N)CCCCC2)[C@@H]2COC[C@@H]21 ZINC000411879438 392990580 /nfs/dbraw/zinc/99/05/80/392990580.db2.gz RWKBQPXUHZCQFU-LSDHHAIUSA-N 0 3 276.424 3.207 20 30 CGEDHN COC1([C@@H](C)NCC#Cc2ccc(Cl)cc2)CCC1 ZINC000412028220 392995226 /nfs/dbraw/zinc/99/52/26/392995226.db2.gz WRVQPALZHUEKJB-CYBMUJFWSA-N 0 3 277.795 3.239 20 30 CGEDHN C[C@@H](N(C)Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000534349868 392997925 /nfs/dbraw/zinc/99/79/25/392997925.db2.gz JHHYHFMTHJMSPP-GFCCVEGCSA-N 0 3 270.380 3.072 20 30 CGEDHN Cc1ccccc1C1CC(N(C(=O)C(C)C#N)C2CC2)C1 ZINC000346381391 393087667 /nfs/dbraw/zinc/08/76/67/393087667.db2.gz JHSJSMUTYVKBOX-HLIUYOAVSA-N 0 3 282.387 3.392 20 30 CGEDHN C[C@@H](CO)N(Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000347239554 393101344 /nfs/dbraw/zinc/10/13/44/393101344.db2.gz VVESZKVGHYTCLG-LBPRGKRZSA-N 0 3 292.810 3.337 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC000414036914 393037084 /nfs/dbraw/zinc/03/70/84/393037084.db2.gz QFMJOEKTBKADSK-BZUAXINKSA-N 0 3 294.354 3.024 20 30 CGEDHN CN(CCCC#N)CCc1cccc(Br)c1 ZINC000258917705 393137972 /nfs/dbraw/zinc/13/79/72/393137972.db2.gz NEUOOZQCAJWGJU-UHFFFAOYSA-N 0 3 281.197 3.227 20 30 CGEDHN C[C@@H](C#N)CN(C[C@@H](C)CC1CCOCC1)C1CC1 ZINC000349961042 393155928 /nfs/dbraw/zinc/15/59/28/393155928.db2.gz BAZQPPDUZRRWKS-KBPBESRZSA-N 0 3 264.413 3.063 20 30 CGEDHN N#CCCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000593958815 393207705 /nfs/dbraw/zinc/20/77/05/393207705.db2.gz ZRPZBFMCHKMDET-QGZVFWFLSA-N 0 3 299.418 3.024 20 30 CGEDHN N#Cc1csc(CNCC2C3CC4CC(C3)CC2C4)n1 ZINC000352836603 393211168 /nfs/dbraw/zinc/21/11/68/393211168.db2.gz VJCQSLZOWKAESW-UHFFFAOYSA-N 0 3 287.432 3.177 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@](C)(OC)C2)cc1 ZINC000355212873 393262763 /nfs/dbraw/zinc/26/27/63/393262763.db2.gz DYDDSAITWWKEKT-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)[C@H](NC[C@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000649587128 393503714 /nfs/dbraw/zinc/50/37/14/393503714.db2.gz BADDEURIOZQRKX-CJNGLKHVSA-N 0 3 280.362 3.266 20 30 CGEDHN C=C(C)[C@H](CO)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000649746781 393571436 /nfs/dbraw/zinc/57/14/36/393571436.db2.gz IIFJKGXNDMAIHD-LRDDRELGSA-N 0 3 279.811 3.239 20 30 CGEDHN C=CCC[C@@H](C)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000361053205 393657547 /nfs/dbraw/zinc/65/75/47/393657547.db2.gz QEYOWZICFMIALN-RHSMWYFYSA-N 0 3 274.408 3.020 20 30 CGEDHN C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C ZINC000443515553 393760586 /nfs/dbraw/zinc/76/05/86/393760586.db2.gz BOEZPKFSXZIMQU-QWRGUYRKSA-N 0 3 297.324 3.106 20 30 CGEDHN C=CCCCC[C@@H](C)NCC(=O)Nc1ccc(F)cc1 ZINC000449218170 393877104 /nfs/dbraw/zinc/87/71/04/393877104.db2.gz FYWOTQDWNRODKH-CYBMUJFWSA-N 0 3 278.371 3.489 20 30 CGEDHN COc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)ccc1C#N ZINC000449534974 393887290 /nfs/dbraw/zinc/88/72/90/393887290.db2.gz HBHJVCPEZFKURJ-SJLPKXTDSA-N 0 3 282.387 3.187 20 30 CGEDHN COc1cccc([C@H]2C[C@H](NCc3ccc(C#N)o3)C2)c1 ZINC000449616622 393921919 /nfs/dbraw/zinc/92/19/19/393921919.db2.gz DSACTVZTVIXVSU-HDJSIYSDSA-N 0 3 282.343 3.196 20 30 CGEDHN C=C(C)[C@H](NCCC[C@H](C)O)c1ccc(F)c(F)c1 ZINC000450784482 394035807 /nfs/dbraw/zinc/03/58/07/394035807.db2.gz ZSTDYJRKZFDJCZ-NHYWBVRUSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000669704043 543120188 /nfs/dbraw/zinc/12/01/88/543120188.db2.gz LLKWTDODYSXGJB-HUUCEWRRSA-N 0 3 251.345 3.049 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000650253316 397809344 /nfs/dbraw/zinc/80/93/44/397809344.db2.gz KVVCAOUXCSLCRZ-MRXNPFEDSA-N 0 3 295.373 3.156 20 30 CGEDHN C=CCc1cc(CN[C@H]2CCC(F)(F)C2)cc(OC)c1O ZINC000675645730 543351032 /nfs/dbraw/zinc/35/10/32/543351032.db2.gz QUOVDGHGULVZKM-ZDUSSCGKSA-N 0 3 297.345 3.407 20 30 CGEDHN COCC#CCN[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000676748729 543416282 /nfs/dbraw/zinc/41/62/82/543416282.db2.gz YCBSDBGLGCJPRV-OAHLLOKOSA-N 0 3 296.370 3.174 20 30 CGEDHN COCC#CCN1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000677132718 543435562 /nfs/dbraw/zinc/43/55/62/543435562.db2.gz OIZBNHPJPMFVSX-GOSISDBHSA-N 0 3 287.403 3.262 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000678745327 543552088 /nfs/dbraw/zinc/55/20/88/543552088.db2.gz QCLIIIROXHPNII-CJNGLKHVSA-N 0 3 263.381 3.061 20 30 CGEDHN CC[C@H](NCC#CCOC)c1cccc(Cl)c1 ZINC000678736306 543551194 /nfs/dbraw/zinc/55/11/94/543551194.db2.gz JJDQMVZTNNKEPX-AWEZNQCLSA-N 0 3 251.757 3.031 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000678743675 543551984 /nfs/dbraw/zinc/55/19/84/543551984.db2.gz GWLCAEFVJPFJOE-UKRRQHHQSA-N 0 3 293.407 3.070 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000678796333 543559562 /nfs/dbraw/zinc/55/95/62/543559562.db2.gz UFGZZIUDOHPKCJ-LRDDRELGSA-N 0 3 293.382 3.202 20 30 CGEDHN C=CCN(C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000678889129 543569483 /nfs/dbraw/zinc/56/94/83/543569483.db2.gz HQZRBHWEDGLNDF-QGZVFWFLSA-N 0 3 299.414 3.476 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1cccc(C#N)c1 ZINC000334375468 287068634 /nfs/dbraw/zinc/06/86/34/287068634.db2.gz DIAHJWYHQYZHLM-WBMJQRKESA-N 0 3 280.375 3.020 20 30 CGEDHN COCCN(CCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063753416 165030679 /nfs/dbraw/zinc/03/06/79/165030679.db2.gz CWPYGYQAXSWURY-UHFFFAOYSA-N 0 3 294.398 3.249 20 30 CGEDHN CCc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)o1 ZINC000090107280 287099880 /nfs/dbraw/zinc/09/98/80/287099880.db2.gz ZNLIONRLJIVTTK-ZDUSSCGKSA-N 0 3 284.359 3.443 20 30 CGEDHN COc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000035256317 172086305 /nfs/dbraw/zinc/08/63/05/172086305.db2.gz RRZBGWAPGODYGB-ZDUSSCGKSA-N 0 3 266.344 3.418 20 30 CGEDHN CCc1ccc([C@@H](CNc2ncccc2C#N)N(C)C)cc1 ZINC000057364284 175595208 /nfs/dbraw/zinc/59/52/08/175595208.db2.gz NXARYLUJFNDKLU-QGZVFWFLSA-N 0 3 294.402 3.230 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(OCC#N)cc1 ZINC000037228862 260075705 /nfs/dbraw/zinc/07/57/05/260075705.db2.gz SQRZGBGGSNYOPV-KGLIPLIRSA-N 0 3 281.359 3.396 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1oc2ccccc2c1C ZINC000680412652 543709490 /nfs/dbraw/zinc/70/94/90/543709490.db2.gz YGLKNWHOVXFFEW-JSGCOSHPSA-N 0 3 259.349 3.329 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccccc1OCc1ccccc1 ZINC000680485241 543714804 /nfs/dbraw/zinc/71/48/04/543714804.db2.gz WHKXFLCMVLBPEK-SFHVURJKSA-N 0 3 297.398 3.292 20 30 CGEDHN C=CCCN(C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000682436464 543846123 /nfs/dbraw/zinc/84/61/23/543846123.db2.gz MHAMOVCEIGZERO-GFCCVEGCSA-N 0 3 261.365 3.027 20 30 CGEDHN Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(C)C#N ZINC000347108019 226054460 /nfs/dbraw/zinc/05/44/60/226054460.db2.gz NSATYGFZZLEQOU-DZGCQCFKSA-N 0 3 258.365 3.358 20 30 CGEDHN N#CC(C(=O)c1ccc2c3c(cccc31)CC2)c1ccncn1 ZINC000354481903 227010725 /nfs/dbraw/zinc/01/07/25/227010725.db2.gz ZBTOTFSZDOCTGD-INIZCTEOSA-N 0 3 299.333 3.218 20 30 CGEDHN Cc1ccc(C[C@H](C)NCc2ccc(C#N)o2)s1 ZINC000135190137 287463466 /nfs/dbraw/zinc/46/34/66/287463466.db2.gz AYCYMQYOPCKQLN-JTQLQIEISA-N 0 3 260.362 3.242 20 30 CGEDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1ccon1 ZINC000329194196 227348936 /nfs/dbraw/zinc/34/89/36/227348936.db2.gz UNICKBGZCIWUHZ-SMDDNHRTSA-N 0 3 277.368 3.099 20 30 CGEDHN C=CCC[C@H](NCCC1(CO)CCC1)c1ccco1 ZINC000652312263 418952116 /nfs/dbraw/zinc/95/21/16/418952116.db2.gz KTKPRAHHJPMDRN-AWEZNQCLSA-N 0 3 263.381 3.429 20 30 CGEDHN C=C(C)CN1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805962 419088391 /nfs/dbraw/zinc/08/83/91/419088391.db2.gz FOOYCLMMAFJNLH-UHFFFAOYSA-N 0 3 267.376 3.385 20 30 CGEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCCCC#N ZINC000351137536 227705250 /nfs/dbraw/zinc/70/52/50/227705250.db2.gz CCPOTJDTRRRPQC-RISCZKNCSA-N 0 3 266.772 3.309 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)C(C)C ZINC000665390306 419123022 /nfs/dbraw/zinc/12/30/22/419123022.db2.gz AKKGPCXEBJXMBY-HOTGVXAUSA-N 0 3 295.471 3.103 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H]2CCCC)nn1 ZINC000653615540 419060502 /nfs/dbraw/zinc/06/05/02/419060502.db2.gz MODIZUXEAJJFQR-GDBMZVCRSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@H]2CCC)nn1 ZINC000653620742 419060656 /nfs/dbraw/zinc/06/06/56/419060656.db2.gz VXIGKTHMCJMKFS-GDBMZVCRSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCCN(C)Cc1cc(F)ccc1OC(F)F ZINC000660400461 419137835 /nfs/dbraw/zinc/13/78/35/419137835.db2.gz OTCLLVBNJOSCPA-UHFFFAOYSA-N 0 3 259.271 3.435 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(OC)cc(C)n2)C1 ZINC000661381922 419255339 /nfs/dbraw/zinc/25/53/39/419255339.db2.gz QDLCZIIAYQSYFJ-AWEZNQCLSA-N 0 3 260.381 3.187 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2c(C)nc3ccccn32)C1 ZINC000661381216 419255717 /nfs/dbraw/zinc/25/57/17/419255717.db2.gz XRWQXCGMCHRTDA-OAHLLOKOSA-N 0 3 269.392 3.431 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](c1ccccc1F)C(C)C ZINC000661484538 419264198 /nfs/dbraw/zinc/26/41/98/419264198.db2.gz LQXDMRXRDGWXBP-GJZGRUSLSA-N 0 3 251.345 3.049 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)CC2CCCCC2)nn1 ZINC000657451365 419281202 /nfs/dbraw/zinc/28/12/02/419281202.db2.gz QOSONHGHBODBKY-CQSZACIVSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCCn1cc(CN[C@H](C2CCC2)C2CCCC2)nn1 ZINC000657499095 419295078 /nfs/dbraw/zinc/29/50/78/419295078.db2.gz URXZDMDYCHCNST-KRWDZBQOSA-N 0 3 288.439 3.303 20 30 CGEDHN C=CCOCCN(Cc1ccccc1F)CC1CC1 ZINC000661791251 419298695 /nfs/dbraw/zinc/29/86/95/419298695.db2.gz FJLBDWOJUCBJSR-UHFFFAOYSA-N 0 3 263.356 3.240 20 30 CGEDHN C=CCOc1ccccc1CNC[C@]1(C)CC1(F)F ZINC000657668903 419324859 /nfs/dbraw/zinc/32/48/59/419324859.db2.gz JMXQLSMXCKTKPZ-AWEZNQCLSA-N 0 3 267.319 3.386 20 30 CGEDHN Cc1ccnc2ccc(C(=O)C(C#N)c3ccccn3)cc12 ZINC000353513881 228113128 /nfs/dbraw/zinc/11/31/28/228113128.db2.gz FSHBMZQEWGHRSG-HNNXBMFYSA-N 0 3 287.322 3.428 20 30 CGEDHN C=CCC1(NCc2nccn2C(F)F)CCCC1 ZINC000657701867 419330174 /nfs/dbraw/zinc/33/01/74/419330174.db2.gz DALIXEMQAFWEGR-UHFFFAOYSA-N 0 3 255.312 3.257 20 30 CGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2n[nH]cc2c1 ZINC000353183222 228067211 /nfs/dbraw/zinc/06/72/11/228067211.db2.gz PEGYXLGVDMBXJR-CYBMUJFWSA-N 0 3 290.370 3.480 20 30 CGEDHN COc1ccc([C@H](C)NCC2(CC#N)CC2)c(C)c1OC ZINC000353590164 228126981 /nfs/dbraw/zinc/12/69/81/228126981.db2.gz STLPCUJVVHWMJM-ZDUSSCGKSA-N 0 3 288.391 3.357 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000662082069 419333521 /nfs/dbraw/zinc/33/35/21/419333521.db2.gz XIAOLHOZAPWFOK-OVYGPGRDSA-N 0 3 290.451 3.253 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000662084884 419334367 /nfs/dbraw/zinc/33/43/67/419334367.db2.gz XXBCAUATZIEWQD-NXOAAHMSSA-N 0 3 290.451 3.207 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000662084978 419334939 /nfs/dbraw/zinc/33/49/39/419334939.db2.gz BRILGLZNLAYTEN-FGTMMUONSA-N 0 3 296.414 3.189 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](c2ccccc2)[C@@H](C)O)c1 ZINC000657814000 419364804 /nfs/dbraw/zinc/36/48/04/419364804.db2.gz CBUZAWZZDRBJPJ-DNVCBOLYSA-N 0 3 297.398 3.463 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nn(C)cc1Cl ZINC000658027775 419503346 /nfs/dbraw/zinc/50/33/46/419503346.db2.gz OQCIEAVEXCYREB-WCQYABFASA-N 0 3 267.804 3.298 20 30 CGEDHN C=CCC1(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CCCC1 ZINC000662889620 419504905 /nfs/dbraw/zinc/50/49/05/419504905.db2.gz ZTIAVMDIDQALCQ-GDBMZVCRSA-N 0 3 286.419 3.328 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncccc1OC ZINC000658031440 419507175 /nfs/dbraw/zinc/50/71/75/419507175.db2.gz FQJUMQIXMPCTDA-UONOGXRCSA-N 0 3 260.381 3.315 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@H](C(C)C)N2CCCC2)c1 ZINC000663379479 419583590 /nfs/dbraw/zinc/58/35/90/419583590.db2.gz NSWXRAXLWVAJPO-GOSISDBHSA-N 0 3 299.418 3.293 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000658104637 419585273 /nfs/dbraw/zinc/58/52/73/419585273.db2.gz AZOZYACXJLLWHW-ZBFHGGJFSA-N 0 3 286.419 3.299 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nccc(OC)c1F ZINC000658225498 419686003 /nfs/dbraw/zinc/68/60/03/419686003.db2.gz UFIGNBFGYFWDOL-OLZOCXBDSA-N 0 3 278.371 3.454 20 30 CGEDHN C=CCCC(C)(C)NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000664015413 419796521 /nfs/dbraw/zinc/79/65/21/419796521.db2.gz HWBULQCJEYBWHK-UHFFFAOYSA-N 0 3 293.455 3.071 20 30 CGEDHN C=CCCCN(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000117875156 260117233 /nfs/dbraw/zinc/11/72/33/260117233.db2.gz HBAOZQJERWGSJW-UHFFFAOYSA-N 0 3 279.380 3.110 20 30 CGEDHN C=CCCCN(C)Cc1cc(OC)c(OC)cc1OC ZINC000117875161 260117521 /nfs/dbraw/zinc/11/75/21/260117521.db2.gz REZINDVUYBDCRX-UHFFFAOYSA-N 0 3 279.380 3.110 20 30 CGEDHN CC(C)(C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000055324409 260219932 /nfs/dbraw/zinc/21/99/32/260219932.db2.gz OCCZHXCLHPBEMC-UHFFFAOYSA-N 0 3 285.391 3.161 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccccc1 ZINC000107070887 260232405 /nfs/dbraw/zinc/23/24/05/260232405.db2.gz NHEJGEBISSROBD-GJZGRUSLSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CCCOCCN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000223198896 260281537 /nfs/dbraw/zinc/28/15/37/260281537.db2.gz FYHRFHQTTPXLPB-MRXNPFEDSA-N 0 3 263.356 3.459 20 30 CGEDHN CC(C)(CCc1ccccc1)NCc1ccc(C#N)cn1 ZINC000521063006 260340799 /nfs/dbraw/zinc/34/07/99/260340799.db2.gz GQGJTDWEIFBIBS-UHFFFAOYSA-N 0 3 279.387 3.454 20 30 CGEDHN C=CCC[C@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000130540788 260397978 /nfs/dbraw/zinc/39/79/78/260397978.db2.gz LWJKPVLCVCGEKD-QWHCGFSZSA-N 0 3 262.401 3.010 20 30 CGEDHN COc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000172831521 261152107 /nfs/dbraw/zinc/15/21/07/261152107.db2.gz JIPPCBFLNDBPJA-CQSZACIVSA-N 0 3 296.370 3.448 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)SCCCC)CC1 ZINC000106034785 261320374 /nfs/dbraw/zinc/32/03/74/261320374.db2.gz CUWJEXCOHIPAQP-AWEZNQCLSA-N 0 3 298.496 3.065 20 30 CGEDHN Cc1cccc(C)c1CNCc1ccc(OCC#N)cc1 ZINC000180253539 261850073 /nfs/dbraw/zinc/85/00/73/261850073.db2.gz GNMGZSPPHFDRBE-UHFFFAOYSA-N 0 3 280.371 3.496 20 30 CGEDHN CO[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185793698 262071815 /nfs/dbraw/zinc/07/18/15/262071815.db2.gz QWGFTDMTLZTUTR-CWRNSKLLSA-N 0 3 258.365 3.046 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC000192661896 262207765 /nfs/dbraw/zinc/20/77/65/262207765.db2.gz IHQSEGYYEZLOAA-SJORKVTESA-N 0 3 283.419 3.459 20 30 CGEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000192740297 262210368 /nfs/dbraw/zinc/21/03/68/262210368.db2.gz ZZSAEGMMVLHHDA-MBNYWOFBSA-N 0 3 273.336 3.328 20 30 CGEDHN N#Cc1ccc(CNCCc2ccccc2F)c(F)c1 ZINC000020047657 262225774 /nfs/dbraw/zinc/22/57/74/262225774.db2.gz GHHIMGGEYIDULY-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1CCCOC1 ZINC000336839140 262399709 /nfs/dbraw/zinc/39/97/09/262399709.db2.gz SMTKXTUFTKEJDE-KBAYOESNSA-N 0 3 284.403 3.185 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](CC(C)C)c2cccs2)C1=O ZINC000337180200 262429030 /nfs/dbraw/zinc/42/90/30/262429030.db2.gz AJXKVUUWDPIJME-KGLIPLIRSA-N 0 3 292.448 3.212 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCCc2c(O)cccc21 ZINC000414167156 262820188 /nfs/dbraw/zinc/82/01/88/262820188.db2.gz OTJWYKNEXRWNAV-AWEZNQCLSA-N 0 3 258.365 3.299 20 30 CGEDHN CCN(CCC(C)(C)C#N)Cc1ccc(OC)c(OC)c1 ZINC000272072415 263001939 /nfs/dbraw/zinc/00/19/39/263001939.db2.gz ZKDIHPVZZDDZNN-UHFFFAOYSA-N 0 3 290.407 3.466 20 30 CGEDHN COc1cccc([C@H]2C[C@H](N(C)CCCC#N)C2)c1 ZINC000452009751 263023591 /nfs/dbraw/zinc/02/35/91/263023591.db2.gz AALBXDSITYVKSG-SHTZXODSSA-N 0 3 258.365 3.177 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000277108619 263039712 /nfs/dbraw/zinc/03/97/12/263039712.db2.gz WEBKVAHPZZVDTK-GXTWGEPZSA-N 0 3 276.380 3.004 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2Cn2ccnc2)C1 ZINC000278159359 263045607 /nfs/dbraw/zinc/04/56/07/263045607.db2.gz BGOFIAJVJSBANY-QAPCUYQASA-N 0 3 294.402 3.103 20 30 CGEDHN Cn1nccc1[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000281508180 263069664 /nfs/dbraw/zinc/06/96/64/263069664.db2.gz UWADSUGNCGPMDP-HNNXBMFYSA-N 0 3 274.412 3.277 20 30 CGEDHN CCOc1ccc([O-])c(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000281638271 263070960 /nfs/dbraw/zinc/07/09/60/263070960.db2.gz ISUHVJVBCPSHAM-UHFFFAOYSA-N 0 3 288.391 3.210 20 30 CGEDHN N#CC1(CCCN2CCC[C@H]2c2ccncc2)CCOCC1 ZINC000282055009 263073883 /nfs/dbraw/zinc/07/38/83/263073883.db2.gz RSWNPKVSUSKTBP-KRWDZBQOSA-N 0 3 299.418 3.319 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340304172 263107352 /nfs/dbraw/zinc/10/73/52/263107352.db2.gz BWQIXASWDXQIHX-INIZCTEOSA-N 0 3 291.391 3.107 20 30 CGEDHN C[C@@H]1Oc2ccccc2[C@@H]1N[C@H]1CCC[C@H](C#N)C1 ZINC000290280845 263115802 /nfs/dbraw/zinc/11/58/02/263115802.db2.gz ZALFYWNNLJEDTG-WFGGJUAMSA-N 0 3 256.349 3.181 20 30 CGEDHN COc1ccccc1[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000293009315 263136968 /nfs/dbraw/zinc/13/69/68/263136968.db2.gz HHDJRBYEUBNGNH-RRFJBIMHSA-N 0 3 270.376 3.177 20 30 CGEDHN CCN(CCOCCC#N)[C@H](C)c1cccc(OC)c1 ZINC000293441117 263140454 /nfs/dbraw/zinc/14/04/54/263140454.db2.gz KADYDFBABGOHPB-CQSZACIVSA-N 0 3 276.380 3.008 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)Cc2ccccc2O1 ZINC000293539337 263142901 /nfs/dbraw/zinc/14/29/01/263142901.db2.gz KBRBWKDCBLWFBK-UKRRQHHQSA-N 0 3 270.376 3.352 20 30 CGEDHN CCN(CCOCCC#N)Cc1cccc(Cl)c1 ZINC000293625453 263144889 /nfs/dbraw/zinc/14/48/89/263144889.db2.gz WJFZOQWWCMCTFX-UHFFFAOYSA-N 0 3 266.772 3.092 20 30 CGEDHN N#CCCOCCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000294574782 263163917 /nfs/dbraw/zinc/16/39/17/263163917.db2.gz MIEGHRUJEXJHKW-UHFFFAOYSA-N 0 3 292.810 3.450 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cccnc1Cl ZINC000296584756 263193749 /nfs/dbraw/zinc/19/37/49/263193749.db2.gz UPLSJESSVKGCNN-WOPDTQHZSA-N 0 3 263.772 3.468 20 30 CGEDHN Cc1ccc(C)n1C1CCN([C@H](C)CCC#N)CC1 ZINC000298118930 263215263 /nfs/dbraw/zinc/21/52/63/263215263.db2.gz MRQFKKBAVVAOLJ-CYBMUJFWSA-N 0 3 259.397 3.434 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1sc(CC)nc1C ZINC000453332924 263238884 /nfs/dbraw/zinc/23/88/84/263238884.db2.gz CVAWREWFGWDZQY-UHTWSYAYSA-N 0 3 280.437 3.398 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(Cc2cscn2)CC1 ZINC000340946535 263313458 /nfs/dbraw/zinc/31/34/58/263313458.db2.gz GXMGUEPLFXWRAF-CQSZACIVSA-N 0 3 279.453 3.006 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc2ccccc2n1 ZINC000341882352 263361879 /nfs/dbraw/zinc/36/18/79/263361879.db2.gz GVPSXXBNVQRNRR-ZIAGYGMSSA-N 0 3 270.376 3.070 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000341882437 263362508 /nfs/dbraw/zinc/36/25/08/263362508.db2.gz SQHLYGHSSBZFKU-QWRGUYRKSA-N 0 3 271.763 3.314 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000341891690 263363959 /nfs/dbraw/zinc/36/39/59/263363959.db2.gz VOLUBCJUXXGWTD-IUODEOHRSA-N 0 3 295.810 3.328 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccccc1Cl ZINC000341890197 263364158 /nfs/dbraw/zinc/36/41/58/263364158.db2.gz SRMCSLWKPHLIGN-NEPJUHHUSA-N 0 3 253.773 3.175 20 30 CGEDHN COCC1(C#N)CCN(C[C@H](C)c2ccccc2)CC1 ZINC000341976525 263368721 /nfs/dbraw/zinc/36/87/21/263368721.db2.gz KMEQFZHGIPLIFN-HNNXBMFYSA-N 0 3 272.392 3.042 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000342727625 263480374 /nfs/dbraw/zinc/48/03/74/263480374.db2.gz VPNVXPIOTHNMGW-HUUCEWRRSA-N 0 3 274.408 3.069 20 30 CGEDHN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000331209812 264162877 /nfs/dbraw/zinc/16/28/77/264162877.db2.gz WYLSICRJGATKIR-HYVNUMGLSA-N 0 3 284.403 3.454 20 30 CGEDHN C=CCSCCN[C@H]1CCCOc2ccccc21 ZINC000180454297 264411233 /nfs/dbraw/zinc/41/12/33/264411233.db2.gz MGUSLWXLYYKYLG-AWEZNQCLSA-N 0 3 263.406 3.409 20 30 CGEDHN C=CCOCCN1CCC(c2ccsc2)CC1 ZINC000294389689 265015678 /nfs/dbraw/zinc/01/56/78/265015678.db2.gz BWOCLHKOFLPQRE-UHFFFAOYSA-N 0 3 251.395 3.130 20 30 CGEDHN CCOC(=O)C[C@@](C)(NCc1ccccc1C#N)C(C)C ZINC000185235237 270062155 /nfs/dbraw/zinc/06/21/55/270062155.db2.gz FKUGAZAJUHFWGK-QGZVFWFLSA-N 0 3 288.391 3.016 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)C(C)(C)C)CC1 ZINC000519283642 265386371 /nfs/dbraw/zinc/38/63/71/265386371.db2.gz UQYXSBMOTNONJB-OAHLLOKOSA-N 0 3 295.471 3.151 20 30 CGEDHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000191593177 270075127 /nfs/dbraw/zinc/07/51/27/270075127.db2.gz BAESJXNHZUHHCG-BEFAXECRSA-N 0 3 294.398 3.121 20 30 CGEDHN C=CCCC1(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000356542107 266133748 /nfs/dbraw/zinc/13/37/48/266133748.db2.gz NFVGKVOFMZHXNS-DLBZAZTESA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCCC1(C(=O)N[C@H](C)CN2CCCCCC2)CC1 ZINC000356815432 266179527 /nfs/dbraw/zinc/17/95/27/266179527.db2.gz MEXQYDNZKYLFOG-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357046144 266238445 /nfs/dbraw/zinc/23/84/45/266238445.db2.gz UNWKHTPOMFVGCN-HZPDHXFCSA-N 0 3 290.451 3.088 20 30 CGEDHN CC(C#N)C(=O)N(C)CCc1cccc2ccccc21 ZINC000357790026 266362850 /nfs/dbraw/zinc/36/28/50/266362850.db2.gz KIXBGIPZTDNZOT-ZDUSSCGKSA-N 0 3 266.344 3.000 20 30 CGEDHN CC(C)(CCC#N)CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367701032 267111217 /nfs/dbraw/zinc/11/12/17/267111217.db2.gz JUQVYUBTHZLMDN-CYBMUJFWSA-N 0 3 292.345 3.096 20 30 CGEDHN CSCC1CCC(NCC2(C#N)CCC2)CC1 ZINC000418136540 267368967 /nfs/dbraw/zinc/36/89/67/267368967.db2.gz CMNDDCSQWSZMMU-UHFFFAOYSA-N 0 3 252.427 3.192 20 30 CGEDHN C#CCCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000371205233 267369794 /nfs/dbraw/zinc/36/97/94/267369794.db2.gz PRIAYCUNZHTHEY-JTQLQIEISA-N 0 3 288.338 3.365 20 30 CGEDHN C=C[C@H](C)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000123205457 268014420 /nfs/dbraw/zinc/01/44/20/268014420.db2.gz FQUWRJDKWQGVQG-VIFPVBQESA-N 0 3 255.745 3.021 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000348173123 276881742 /nfs/dbraw/zinc/88/17/42/276881742.db2.gz UVDSOZDJVBNDOD-HUUCEWRRSA-N 0 3 298.430 3.251 20 30 CGEDHN C=C(C)CCN[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000351869779 277766241 /nfs/dbraw/zinc/76/62/41/277766241.db2.gz JGWZXIRXBXEPKA-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCOCCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000348195999 277876290 /nfs/dbraw/zinc/87/62/90/277876290.db2.gz ZZLKKYIIGPCFAY-OAHLLOKOSA-N 0 3 283.799 3.210 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1cccc(C#N)c1 ZINC000334375452 278273005 /nfs/dbraw/zinc/27/30/05/278273005.db2.gz DIAHJWYHQYZHLM-BLLLJJGKSA-N 0 3 280.375 3.020 20 30 CGEDHN Cc1cc(CN[C@@H]2COc3ccc(F)cc3C2)ccc1C#N ZINC000342413829 280494839 /nfs/dbraw/zinc/49/48/39/280494839.db2.gz BTNOGRHUJQIFCF-KRWDZBQOSA-N 0 3 296.345 3.099 20 30 CGEDHN C[C@@H](NCCOc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000540595913 288662945 /nfs/dbraw/zinc/66/29/45/288662945.db2.gz IJQCUPBLWZIFBJ-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN CC(C#N)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000334528178 289234660 /nfs/dbraw/zinc/23/46/60/289234660.db2.gz LQRTXIDHDHDXTF-LLVKDONJSA-N 0 3 294.757 3.287 20 30 CGEDHN CC(C#N)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000336354597 289235213 /nfs/dbraw/zinc/23/52/13/289235213.db2.gz DFLNWCLEUCIEFF-ZWNOBZJWSA-N 0 3 294.807 3.116 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000538290576 327841259 /nfs/dbraw/zinc/84/12/59/327841259.db2.gz LCMAGMIQQCALMV-HZPDHXFCSA-N 0 3 293.455 3.001 20 30 CGEDHN COc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2n1 ZINC000185845813 327847675 /nfs/dbraw/zinc/84/76/75/327847675.db2.gz ZJLMQPZSVUFITA-UKRRQHHQSA-N 0 3 295.386 3.415 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000185875946 327849118 /nfs/dbraw/zinc/84/91/18/327849118.db2.gz HSQZEKWROHOTHT-NVBFEUDRSA-N 0 3 296.773 3.184 20 30 CGEDHN C=CCCN1CCC(c2ncccc2Cl)CC1 ZINC000338544576 327984125 /nfs/dbraw/zinc/98/41/25/327984125.db2.gz QLTRXMSLZZYTJP-UHFFFAOYSA-N 0 3 250.773 3.491 20 30 CGEDHN N#CCCC[C@H](NCc1ccnc(N)c1)c1ccccc1 ZINC000411757860 328098871 /nfs/dbraw/zinc/09/88/71/328098871.db2.gz MXSFIVMZNBNRCL-INIZCTEOSA-N 0 3 280.375 3.019 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000277343388 328221280 /nfs/dbraw/zinc/22/12/80/328221280.db2.gz LPRMEDSXGZPGNR-SIUHFWHKSA-N 0 3 290.407 3.082 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc([S@@](C)=O)cc1 ZINC000278863260 328231553 /nfs/dbraw/zinc/23/15/53/328231553.db2.gz WMSBNSPLFYNTPT-WWVJOHPTSA-N 0 3 290.432 3.157 20 30 CGEDHN N#CCCOCCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000294187911 328279441 /nfs/dbraw/zinc/27/94/41/328279441.db2.gz QUCLKDVSRDMNIQ-UHFFFAOYSA-N 0 3 290.794 3.359 20 30 CGEDHN C=C[C@H](CO)N[C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000353579366 328289776 /nfs/dbraw/zinc/28/97/76/328289776.db2.gz UYOHDLYUTJBULT-YPMHNXCESA-N 0 3 289.297 3.173 20 30 CGEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565043461 322056692 /nfs/dbraw/zinc/05/66/92/322056692.db2.gz HLFAKVWNGQOSLJ-AGIUHOORSA-N 0 3 287.363 3.333 20 30 CGEDHN CCC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000565159544 322063636 /nfs/dbraw/zinc/06/36/36/322063636.db2.gz ZLROVVLSBJPDKX-OAHLLOKOSA-N 0 3 257.381 3.354 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccncc3)C2)s1 ZINC000566923638 322143345 /nfs/dbraw/zinc/14/33/45/322143345.db2.gz MSOCQJZKDJPLEK-CQSZACIVSA-N 0 3 283.400 3.394 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571807577 322308339 /nfs/dbraw/zinc/30/83/39/322308339.db2.gz YIMLSRXHAOMSMY-CHWSQXEVSA-N 0 3 287.363 3.477 20 30 CGEDHN Cc1cc(CNCc2ccc3cnn(C)c3c2)ccc1C#N ZINC000573032760 322366762 /nfs/dbraw/zinc/36/67/62/322366762.db2.gz QJYIVEIBPQHGSF-UHFFFAOYSA-N 0 3 290.370 3.043 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000573492995 322391136 /nfs/dbraw/zinc/39/11/36/322391136.db2.gz ASIGILUCTUDNOD-HIFRSBDPSA-N 0 3 285.347 3.231 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000535010402 328376582 /nfs/dbraw/zinc/37/65/82/328376582.db2.gz MXUFSFWAOVCHSR-OAHLLOKOSA-N 0 3 280.456 3.454 20 30 CGEDHN C=CCOc1ccc(CNC(C)(C)COCC)cc1OC ZINC000292882977 328541946 /nfs/dbraw/zinc/54/19/46/328541946.db2.gz FCSHDTTVVFDALP-UHFFFAOYSA-N 0 3 293.407 3.165 20 30 CGEDHN C=CCN[C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558899144 327130293 /nfs/dbraw/zinc/13/02/93/327130293.db2.gz ACWBRYTWUADVJC-LSDHHAIUSA-N 0 3 282.790 3.390 20 30 CGEDHN C=C(C)COCCNCc1ccc(Br)s1 ZINC000131391134 327161696 /nfs/dbraw/zinc/16/16/96/327161696.db2.gz JFDICUHHPOGYKU-UHFFFAOYSA-N 0 3 290.226 3.193 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@](CO)(C(C)C)C2)c1 ZINC000378137544 329041177 /nfs/dbraw/zinc/04/11/77/329041177.db2.gz ZIODJIXLCHTFSD-GOSISDBHSA-N 0 3 289.419 3.092 20 30 CGEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1cccs1 ZINC000181042787 329225145 /nfs/dbraw/zinc/22/51/45/329225145.db2.gz LLIMOQOPIJQIMN-UHFFFAOYSA-N 0 3 261.394 3.157 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccccc1OC(F)F ZINC000321095907 329258651 /nfs/dbraw/zinc/25/86/51/329258651.db2.gz LCRMQMKCRKAFAZ-VXGBXAGGSA-N 0 3 285.334 3.266 20 30 CGEDHN C=CCCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000582968020 329295533 /nfs/dbraw/zinc/29/55/33/329295533.db2.gz KGVJAVHEGMOMKR-SFHVURJKSA-N 0 3 286.419 3.124 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000467301242 329332900 /nfs/dbraw/zinc/33/29/00/329332900.db2.gz ZJFGODLWRPWHDU-LSDHHAIUSA-N 0 3 288.435 3.323 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000190418761 329396621 /nfs/dbraw/zinc/39/66/21/329396621.db2.gz DVHYSKVAORKILM-YOEHRIQHSA-N 0 3 275.392 3.251 20 30 CGEDHN C=C[C@H](CC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000127054861 329596635 /nfs/dbraw/zinc/59/66/35/329596635.db2.gz SNCUZKYUUGOAHU-SJLPKXTDSA-N 0 3 298.430 3.043 20 30 CGEDHN C=CCCCCCN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000571940229 329932363 /nfs/dbraw/zinc/93/23/63/329932363.db2.gz VNNYALXTAQCHAE-HNNXBMFYSA-N 0 3 272.392 3.430 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)Cc1ccc(Br)cc1 ZINC000191479446 330144636 /nfs/dbraw/zinc/14/46/36/330144636.db2.gz SXYXUTUYDIWCEI-QWRGUYRKSA-N 0 3 281.197 3.129 20 30 CGEDHN CCC(C)(C)C1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424067658 330219459 /nfs/dbraw/zinc/21/94/59/330219459.db2.gz QFDOIALXTKZQCB-NRXISQOPSA-N 0 3 293.455 3.119 20 30 CGEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000424093891 330226424 /nfs/dbraw/zinc/22/64/24/330226424.db2.gz SKLXPMVGOFKCRK-DLBZAZTESA-N 0 3 299.418 3.055 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccccc1Cl ZINC000424176498 330316542 /nfs/dbraw/zinc/31/65/42/330316542.db2.gz ROWSYMKNJNFMIQ-JSGCOSHPSA-N 0 3 251.757 3.021 20 30 CGEDHN C=C(C)COc1cc(CN[C@@H]2CC23CC3)ccc1OC ZINC000424185223 330320447 /nfs/dbraw/zinc/32/04/47/330320447.db2.gz OROIDAICOXPEJA-MRXNPFEDSA-N 0 3 273.376 3.292 20 30 CGEDHN C=CCCCCCN(C)[C@H](C)C(=O)NCc1ccccc1 ZINC000532966910 330323452 /nfs/dbraw/zinc/32/34/52/330323452.db2.gz BFWHNZDRQMATBN-MRXNPFEDSA-N 0 3 288.435 3.370 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000532968082 330323551 /nfs/dbraw/zinc/32/35/51/330323551.db2.gz RURSKMNCFSQQED-UHFFFAOYSA-N 0 3 299.418 3.181 20 30 CGEDHN N#CCCCN[C@H](Cc1ccncc1)c1cccs1 ZINC000424288864 330334307 /nfs/dbraw/zinc/33/43/07/330334307.db2.gz ZRUMLYGEBXIRTQ-CQSZACIVSA-N 0 3 271.389 3.320 20 30 CGEDHN C=CCn1cc(CN[C@@H](C)CC(C)(C)c2ccccc2)nn1 ZINC000424291173 330334924 /nfs/dbraw/zinc/33/49/24/330334924.db2.gz DEFRUVHUIOHNEB-HNNXBMFYSA-N 0 3 298.434 3.310 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000424318230 330339782 /nfs/dbraw/zinc/33/97/82/330339782.db2.gz CUOZPXUJKTUZKF-NWANDNLSSA-N 0 3 288.391 3.437 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000424329604 330341915 /nfs/dbraw/zinc/34/19/15/330341915.db2.gz PPBRHFRCWQUMEV-NJZAAPMLSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCCOCCN[C@H]1CC(C)(C)Cc2occc21 ZINC000090883906 330396623 /nfs/dbraw/zinc/39/66/23/330396623.db2.gz ALMFCQOFYAVPBF-AWEZNQCLSA-N 0 3 263.381 3.475 20 30 CGEDHN C=CCCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000121236378 330398264 /nfs/dbraw/zinc/39/82/64/330398264.db2.gz FIUZOIQYTQMUMY-CQSZACIVSA-N 0 3 299.418 3.490 20 30 CGEDHN C=CC1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000093359357 330419523 /nfs/dbraw/zinc/41/95/23/330419523.db2.gz KFEQQZUOSWJVRS-UHFFFAOYSA-N 0 3 267.376 3.475 20 30 CGEDHN C=CC1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000093359358 330419578 /nfs/dbraw/zinc/41/95/78/330419578.db2.gz NCBBZYZPQZOEBS-UHFFFAOYSA-N 0 3 255.365 3.041 20 30 CGEDHN CC(C)C(=O)Nc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442649602 330778153 /nfs/dbraw/zinc/77/81/53/330778153.db2.gz NDFYVNHIELSSJT-HOCLYGCPSA-N 0 3 285.391 3.063 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@@H](C#N)C2)c2ccccc2n1 ZINC000442764879 330781697 /nfs/dbraw/zinc/78/16/97/330781697.db2.gz IGVHMFNRAIMNSN-TZMCWYRMSA-N 0 3 281.359 3.025 20 30 CGEDHN C[C@H](COc1ccc(F)cc1F)N[C@@H]1CC[C@H](C#N)C1 ZINC000442777745 330782459 /nfs/dbraw/zinc/78/24/59/330782459.db2.gz ABZNWZKPCSZSAB-NTZNESFSSA-N 0 3 280.318 3.014 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000442784803 330783173 /nfs/dbraw/zinc/78/31/73/330783173.db2.gz PWSBEYUZYCUTGG-YPMHNXCESA-N 0 3 298.308 3.366 20 30 CGEDHN Cc1cccc2c1OCC[C@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000442857528 330787613 /nfs/dbraw/zinc/78/76/13/330787613.db2.gz PTECNQBERGATLM-UMVBOHGHSA-N 0 3 256.349 3.101 20 30 CGEDHN Cc1cccc2c1OCC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000442857523 330787677 /nfs/dbraw/zinc/78/76/77/330787677.db2.gz PTECNQBERGATLM-GZBFAFLISA-N 0 3 256.349 3.101 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCOc2ccccc2C(F)(F)F)C1 ZINC000442861739 330787878 /nfs/dbraw/zinc/78/78/78/330787878.db2.gz YIARABUBVZJZFV-NEPJUHHUSA-N 0 3 298.308 3.366 20 30 CGEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000442874188 330789461 /nfs/dbraw/zinc/78/94/61/330789461.db2.gz LZKWYBWNMMFFAO-NFAWXSAZSA-N 0 3 256.349 3.019 20 30 CGEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000442874187 330789468 /nfs/dbraw/zinc/78/94/68/330789468.db2.gz LZKWYBWNMMFFAO-IPYPFGDCSA-N 0 3 256.349 3.019 20 30 CGEDHN CC(C)(C#N)CCCCN[C@@H](CO)c1ccsc1 ZINC000444671844 330818340 /nfs/dbraw/zinc/81/83/40/330818340.db2.gz KACGQIUQRIMWOZ-ZDUSSCGKSA-N 0 3 266.410 3.091 20 30 CGEDHN C=C(CC)CNCc1c[nH]nc1-c1c(F)cccc1F ZINC000449733920 330946751 /nfs/dbraw/zinc/94/67/51/330946751.db2.gz QILHSYRZMWCQGJ-UHFFFAOYSA-N 0 3 277.318 3.411 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452064135 331052506 /nfs/dbraw/zinc/05/25/06/331052506.db2.gz ZAJMXSNXUCBUGG-AWEZNQCLSA-N 0 3 292.448 3.481 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000453338583 331118722 /nfs/dbraw/zinc/11/87/22/331118722.db2.gz BAGMYPBGLMEXHM-BNOWGMLFSA-N 0 3 287.359 3.436 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCSc2ccccc21 ZINC000453377646 331124884 /nfs/dbraw/zinc/12/48/84/331124884.db2.gz YCXZLPNJXAVWAT-MJBXVCDLSA-N 0 3 261.390 3.157 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000195725152 331181234 /nfs/dbraw/zinc/18/12/34/331181234.db2.gz REAZGEVZWWCESL-FQEVSTJZSA-N 0 3 295.426 3.321 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000457233098 331216777 /nfs/dbraw/zinc/21/67/77/331216777.db2.gz GEQYIACVKKNJMS-ROUUACIJSA-N 0 3 296.414 3.454 20 30 CGEDHN C=C[C@H](C)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459437712 331281430 /nfs/dbraw/zinc/28/14/30/331281430.db2.gz HBMFELJGKVTVDU-LCGIIJARSA-N 0 3 277.433 3.489 20 30 CGEDHN C=C(C)CNCc1ccc(C)c(Br)c1 ZINC000164766539 331304649 /nfs/dbraw/zinc/30/46/49/331304649.db2.gz ICANGCDGFLFNPR-UHFFFAOYSA-N 0 3 254.171 3.423 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CC)CC(C)(C)C)CC1 ZINC000464233231 331358423 /nfs/dbraw/zinc/35/84/23/331358423.db2.gz JJOPETLPEDUBAS-UHFFFAOYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CCCCCCN1CCN(c2cc(C)ccn2)CC1 ZINC000488206754 331993869 /nfs/dbraw/zinc/99/38/69/331993869.db2.gz WSRYJVBTJVADJH-UHFFFAOYSA-N 0 3 273.424 3.258 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCC1(F)CCC1 ZINC000488706651 332022172 /nfs/dbraw/zinc/02/21/72/332022172.db2.gz BDPDHVQGZJWAKP-HNNXBMFYSA-N 0 3 288.366 3.157 20 30 CGEDHN C=C[C@@H]1CCCCN1CCc1nc(-c2ccccc2)no1 ZINC000489500624 332057013 /nfs/dbraw/zinc/05/70/13/332057013.db2.gz SOTUDXBILVLELZ-OAHLLOKOSA-N 0 3 283.375 3.320 20 30 CGEDHN C#C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1 ZINC000491372396 332199060 /nfs/dbraw/zinc/19/90/60/332199060.db2.gz JBYMGTXWAMHGJR-HZPDHXFCSA-N 0 3 273.351 3.191 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(OCc2cccnc2)cc1 ZINC000491427236 332209511 /nfs/dbraw/zinc/20/95/11/332209511.db2.gz JPEROZQCLRPSND-OAHLLOKOSA-N 0 3 280.371 3.114 20 30 CGEDHN C#C[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000491618975 332245219 /nfs/dbraw/zinc/24/52/19/332245219.db2.gz BLWLCBXPIXFSTH-WHOFXGATSA-N 0 3 263.768 3.029 20 30 CGEDHN C#C[C@@H](NCCCc1cnccc1C)c1ccc(F)cc1 ZINC000491662671 332272177 /nfs/dbraw/zinc/27/21/77/332272177.db2.gz OTQWCEBXYLJWOQ-GOSISDBHSA-N 0 3 282.362 3.426 20 30 CGEDHN C#C[C@@H](NC1CCC(OC)CC1)c1ccc(F)cc1 ZINC000491668641 332276228 /nfs/dbraw/zinc/27/62/28/332276228.db2.gz ZQNNWZOWVCRCCJ-UYSNPLJNSA-N 0 3 261.340 3.047 20 30 CGEDHN Fc1ccc(C#CCN[C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000502514388 332664035 /nfs/dbraw/zinc/66/40/35/332664035.db2.gz VHOYYTCBEVJQOT-HUUCEWRRSA-N 0 3 297.320 3.317 20 30 CGEDHN C=CCN(CCOC)C/C(C)=C\c1ccccc1COC ZINC000513192521 333007800 /nfs/dbraw/zinc/00/78/00/333007800.db2.gz LTKWKBIOXKVYLM-SSZFMOIBSA-N 0 3 289.419 3.371 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@H](CCC)CCCC)CC1 ZINC000175742462 333031270 /nfs/dbraw/zinc/03/12/70/333031270.db2.gz NOAHQWAITHEWLI-OAHLLOKOSA-N 0 3 295.471 3.295 20 30 CGEDHN C=CCOc1ccccc1CNCCc1ccc(C)o1 ZINC000520948973 333108112 /nfs/dbraw/zinc/10/81/12/333108112.db2.gz MBUATIGKHXAESM-UHFFFAOYSA-N 0 3 271.360 3.485 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1sccc1OC ZINC000186221862 333156978 /nfs/dbraw/zinc/15/69/78/333156978.db2.gz RAYHDJRJHLHUQA-NSHDSACASA-N 0 3 255.383 3.000 20 30 CGEDHN C=CCCCCCN1CCC[C@H](NC(=O)CCC)C1 ZINC000193327598 333248115 /nfs/dbraw/zinc/24/81/15/333248115.db2.gz STSNCGXVYNWVJV-HNNXBMFYSA-N 0 3 266.429 3.114 20 30 CGEDHN CC1(C#N)CCN(C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000226319204 333256799 /nfs/dbraw/zinc/25/67/99/333256799.db2.gz AAOVMFLSUAPYPH-CQSZACIVSA-N 0 3 262.397 3.104 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000194052508 333264419 /nfs/dbraw/zinc/26/44/19/333264419.db2.gz RNXSHLPWNSPIDJ-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN Cc1ccc(CNCCOc2ccc(C#N)cc2)s1 ZINC000174560082 335158974 /nfs/dbraw/zinc/15/89/74/335158974.db2.gz ZKPYFHMMSFQPKM-UHFFFAOYSA-N 0 3 272.373 3.097 20 30 CGEDHN N#CCC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000542855196 333845763 /nfs/dbraw/zinc/84/57/63/333845763.db2.gz YNYMVFZZQQJYGQ-UPHRSURJSA-N 0 3 258.340 3.465 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000174653689 335162457 /nfs/dbraw/zinc/16/24/57/335162457.db2.gz KLDXRCYKVYLQKZ-SNVBAGLBSA-N 0 3 276.286 3.323 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1c(C)cccc1C ZINC000545520334 333986239 /nfs/dbraw/zinc/98/62/39/333986239.db2.gz FQFURJQBNUEMGH-MRXNPFEDSA-N 0 3 288.435 3.379 20 30 CGEDHN N#CCCC[C@H]([NH2+]Cc1ncccc1[O-])c1ccccc1 ZINC000552313191 334315662 /nfs/dbraw/zinc/31/56/62/334315662.db2.gz UJKFFWGVAWJSME-HNNXBMFYSA-N 0 3 281.359 3.312 20 30 CGEDHN COc1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248993941 334323900 /nfs/dbraw/zinc/32/39/00/334323900.db2.gz OJHPXFHSOSCQFT-IOASZLSFSA-N 0 3 270.376 3.354 20 30 CGEDHN N#CCC[C@H](C#N)CNCC1(c2ccccc2)CCC1 ZINC000568618810 334832679 /nfs/dbraw/zinc/83/26/79/334832679.db2.gz QGCIJOGIDGQTFN-OAHLLOKOSA-N 0 3 267.376 3.141 20 30 CGEDHN CN(CCC1CCCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000577111848 335302096 /nfs/dbraw/zinc/30/20/96/335302096.db2.gz UJXINPQRZBIGHS-UHFFFAOYSA-N 0 3 297.406 3.003 20 30 CGEDHN C=CCCCCN1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000577340326 335340343 /nfs/dbraw/zinc/34/03/43/335340343.db2.gz YPSVWHUWRYGLEV-HZPDHXFCSA-N 0 3 266.429 3.064 20 30 CGEDHN N#Cc1ccc(CNC/C=C/c2ccccc2)s1 ZINC000176968780 335349043 /nfs/dbraw/zinc/34/90/43/335349043.db2.gz JHXPSWXHGHQTJO-QPJJXVBHSA-N 0 3 254.358 3.423 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1Cl ZINC000579352829 335737937 /nfs/dbraw/zinc/73/79/37/335737937.db2.gz MTZSLJVQGOKAIV-WCQYABFASA-N 0 3 281.783 3.172 20 30 CGEDHN C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(C#N)cc1 ZINC000181566094 335771087 /nfs/dbraw/zinc/77/10/87/335771087.db2.gz MIIRTJPCNVBAGP-LBPRGKRZSA-N 0 3 284.334 3.040 20 30 CGEDHN C=CCCN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181833737 335787530 /nfs/dbraw/zinc/78/75/30/335787530.db2.gz MELPPWRPCBPCSF-HNNXBMFYSA-N 0 3 261.365 3.235 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](OC)[C@@H](C)CC ZINC000381398122 336061322 /nfs/dbraw/zinc/06/13/22/336061322.db2.gz PBOCGCPVVKHHIZ-YOEHRIQHSA-N 0 3 277.408 3.402 20 30 CGEDHN CN(C)c1ccccc1CNCc1ccc(CC#N)cc1 ZINC000581548196 336100202 /nfs/dbraw/zinc/10/02/02/336100202.db2.gz WXRZICHWKYOSOI-UHFFFAOYSA-N 0 3 279.387 3.108 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000336236887 534281890 /nfs/dbraw/zinc/28/18/90/534281890.db2.gz IIPZBESFWZATNB-MNOVXSKESA-N 0 3 256.305 3.112 20 30 CGEDHN CC(C)CCO[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000083248028 519671498 /nfs/dbraw/zinc/67/14/98/519671498.db2.gz FKEVNUQPHJHULG-QGZVFWFLSA-N 0 3 272.392 3.195 20 30 CGEDHN CC(C)c1nc(CCNCc2ccc(C#N)cc2)cs1 ZINC000102430934 519861647 /nfs/dbraw/zinc/86/16/47/519861647.db2.gz GGOJGXNUDQKEDQ-UHFFFAOYSA-N 0 3 285.416 3.470 20 30 CGEDHN Cc1nc(NCCN2CCC[C@@H](C)C2)c(Cl)cc1C#N ZINC000359871405 534491407 /nfs/dbraw/zinc/49/14/07/534491407.db2.gz GNCPSYIMXIQYFF-LLVKDONJSA-N 0 3 292.814 3.059 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc(F)cc(Cl)c2)C1 ZINC000335285999 534755227 /nfs/dbraw/zinc/75/52/27/534755227.db2.gz LBWPXVDCYARNML-TVQRCGJNSA-N 0 3 252.720 3.261 20 30 CGEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)c1nccs1 ZINC000183924599 524574265 /nfs/dbraw/zinc/57/42/65/524574265.db2.gz OHNSXRSAPQOXJB-LBPRGKRZSA-N 0 3 271.389 3.250 20 30 CGEDHN C=CCN(CCc1ccco1)CC1(O)CCC(C)CC1 ZINC000352702519 526325052 /nfs/dbraw/zinc/32/50/52/526325052.db2.gz YIAPDDVNIATONH-UHFFFAOYSA-N 0 3 277.408 3.251 20 30 CGEDHN C=C(C)CCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347313677 526441887 /nfs/dbraw/zinc/44/18/87/526441887.db2.gz GBEBWPHUPCDYPR-LSDHHAIUSA-N 0 3 277.433 3.453 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC)CC(F)(F)F ZINC000354551724 526543128 /nfs/dbraw/zinc/54/31/28/526543128.db2.gz YDTUYUAPJSFUSY-NWDGAFQWSA-N 0 3 294.361 3.120 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccccc3o2)CC1 ZINC000106039436 526598460 /nfs/dbraw/zinc/59/84/60/526598460.db2.gz LJWFSZPXDTVKCN-UHFFFAOYSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC(C)C)c1cccs1 ZINC000347655934 526628272 /nfs/dbraw/zinc/62/82/72/526628272.db2.gz SVLKIWISEURXRT-CHWSQXEVSA-N 0 3 280.437 3.116 20 30 CGEDHN C=CCC(C)(C)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000352546068 527012484 /nfs/dbraw/zinc/01/24/84/527012484.db2.gz OZXFDTHQBLDVJP-HNNXBMFYSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCCCC1 ZINC000336209393 527049201 /nfs/dbraw/zinc/04/92/01/527049201.db2.gz LMESACGEKMOBHV-CVEARBPZSA-N 0 3 290.451 3.208 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(COC)cc2)cc1 ZINC000113318298 527105579 /nfs/dbraw/zinc/10/55/79/527105579.db2.gz ANDAEOOQLXISAB-UHFFFAOYSA-N 0 3 295.382 3.135 20 30 CGEDHN C=CCCOCCNCc1cscc1C(F)(F)F ZINC000352810351 527366863 /nfs/dbraw/zinc/36/68/63/527366863.db2.gz MJMVCEMXPDOIFT-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000344799839 527415676 /nfs/dbraw/zinc/41/56/76/527415676.db2.gz UYKRRDILFUMGTM-CYBMUJFWSA-N 0 3 274.364 3.042 20 30 CGEDHN C=CCC[C@@H](NCCC[C@H](O)CC)c1ccco1 ZINC000353626618 527447808 /nfs/dbraw/zinc/44/78/08/527447808.db2.gz YHPYHEQXNGJLHI-ZIAGYGMSSA-N 0 3 251.370 3.428 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)CNC2 ZINC000347566161 527597537 /nfs/dbraw/zinc/59/75/37/527597537.db2.gz XIBXEQJDTVGPEM-UHFFFAOYSA-N 0 3 298.430 3.498 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCC2 ZINC000359000574 527943782 /nfs/dbraw/zinc/94/37/82/527943782.db2.gz JGLIQVSFAVSGGL-LSDHHAIUSA-N 0 3 288.366 3.135 20 30 CGEDHN CC[C@H](NCc1ccccc1CO)c1ccc(C#N)cc1 ZINC000518074348 535921085 /nfs/dbraw/zinc/92/10/85/535921085.db2.gz ZCVFSVKECJNTIC-SFHVURJKSA-N 0 3 280.371 3.291 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1)c1cccs1 ZINC000274064981 536131398 /nfs/dbraw/zinc/13/13/98/536131398.db2.gz QQQJEMLJGTYNDW-AWEZNQCLSA-N 0 3 271.389 3.335 20 30 CGEDHN C[C@H]1CC(=Nn2cnnc2)C[C@H](c2ccccc2)C1 ZINC000749849829 571727550 /nfs/dbraw/zinc/72/75/50/571727550.db2.gz GEGPNXMJOBHNMX-TZMCWYRMSA-N 0 3 254.337 3.086 20 30 CGEDHN C#CCN(CCCOC(C)C)[C@H]1CCc2ccccc21 ZINC000741776544 572526138 /nfs/dbraw/zinc/52/61/38/572526138.db2.gz LTRJEDWLZRTILU-SFHVURJKSA-N 0 3 271.404 3.424 20 30 CGEDHN C=C(CNCc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000742369317 572568555 /nfs/dbraw/zinc/56/85/55/572568555.db2.gz UNXQKPQKRGINOP-UHFFFAOYSA-N 0 3 278.355 3.370 20 30 CGEDHN CCCCCCCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000734264468 572640924 /nfs/dbraw/zinc/64/09/24/572640924.db2.gz WMQJAJOMEKEEBR-OAHLLOKOSA-N 0 3 295.471 3.273 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(F)(F)F ZINC000744011035 572696084 /nfs/dbraw/zinc/69/60/84/572696084.db2.gz VFVSPPRSNIJHSX-SECBINFHSA-N 0 3 295.264 3.092 20 30 CGEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1cccc1 ZINC000735207462 572708362 /nfs/dbraw/zinc/70/83/62/572708362.db2.gz RJEMNPJZFYRQBU-QWHCGFSZSA-N 0 3 293.326 3.457 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=CC2CCCCC2)nc(C)n1 ZINC000735592612 572731457 /nfs/dbraw/zinc/73/14/57/572731457.db2.gz BZBJEUUNGCGZJQ-XVJNWHFHSA-N 0 3 283.375 3.406 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](OC)C(C)C)c([O-])c1 ZINC000745977554 572846565 /nfs/dbraw/zinc/84/65/65/572846565.db2.gz XPENKXACQDQKEO-LVSMMTLPSA-N 0 3 292.423 3.328 20 30 CGEDHN C#CCN(CC)Cc1cc(Cl)cc2cccnc21 ZINC000746457614 572873140 /nfs/dbraw/zinc/87/31/40/572873140.db2.gz MODBKQSSKCVCJT-UHFFFAOYSA-N 0 3 258.752 3.343 20 30 CGEDHN COc1ccc(CNCc2ccc(F)cc2C)cc1C#N ZINC000746734478 572894127 /nfs/dbraw/zinc/89/41/27/572894127.db2.gz UMRWUNGZLDJTBB-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN CC(=NOCC(C)C)c1ccc(OCCN(C)C)cc1 ZINC000749630944 573025562 /nfs/dbraw/zinc/02/55/62/573025562.db2.gz DGOHPKMSNHYVLS-UHFFFAOYSA-N 0 3 278.396 3.024 20 30 CGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894253 608311483 /nfs/dbraw/zinc/31/14/83/608311483.db2.gz LKKQKRMLFVYNAC-CYBMUJFWSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894253 608311481 /nfs/dbraw/zinc/31/14/81/608311481.db2.gz LKKQKRMLFVYNAC-CYBMUJFWSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894041 608487784 /nfs/dbraw/zinc/48/77/84/608487784.db2.gz FTUFYTRTEPOUPR-STQMWFEESA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894041 608487786 /nfs/dbraw/zinc/48/77/86/608487786.db2.gz FTUFYTRTEPOUPR-STQMWFEESA-N 0 3 285.395 3.262 20 30 CGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1occc1C ZINC000968750180 613306558 /nfs/dbraw/zinc/30/65/58/613306558.db2.gz GSEXWNNYFOPGLD-OAHLLOKOSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968188892 613333520 /nfs/dbraw/zinc/33/35/20/613333520.db2.gz DVOPCJXDNRFXNC-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945820 613333544 /nfs/dbraw/zinc/33/35/44/613333544.db2.gz BYCIGCXQOAGCNW-DOTOQJQBSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963245448 613374531 /nfs/dbraw/zinc/37/45/31/613374531.db2.gz XWABZJAGGUOISP-CABCVRRESA-N 0 3 298.858 3.242 20 30 CGEDHN C=C1CCC(C(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000950047403 613404915 /nfs/dbraw/zinc/40/49/15/613404915.db2.gz VKRJQECQHITNHO-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999883 613517459 /nfs/dbraw/zinc/51/74/59/613517459.db2.gz HYTWPEUCIRVEBU-ZIAGYGMSSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968504130 613531033 /nfs/dbraw/zinc/53/10/33/613531033.db2.gz DXZCZJIJDPZPSS-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000941226217 613781055 /nfs/dbraw/zinc/78/10/55/613781055.db2.gz MJJLRCYFGHXVCB-INIZCTEOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763077 613784503 /nfs/dbraw/zinc/78/45/03/613784503.db2.gz CDHOZMDZHAGEJK-YJBOKZPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001020638032 617749683 /nfs/dbraw/zinc/74/96/83/617749683.db2.gz BBYPKBUWJGTYEU-SHTZXODSSA-N 0 3 298.858 3.336 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001021143559 617907684 /nfs/dbraw/zinc/90/76/84/617907684.db2.gz PMRUOXVVRFMOSR-HAQNSBGRSA-N 0 3 298.858 3.048 20 30 CGEDHN C#CCC1(NCc2nc3ccccc3n2C(F)F)CCC1 ZINC000933304201 618198206 /nfs/dbraw/zinc/19/82/06/618198206.db2.gz ZSDUQIMCWYCMLX-UHFFFAOYSA-N 0 3 289.329 3.467 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC001022904256 618678944 /nfs/dbraw/zinc/67/89/44/618678944.db2.gz IVFBQJQKMSEUFJ-XQLPTFJDSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(-c2ccccc2)no1 ZINC000926544713 618732609 /nfs/dbraw/zinc/73/26/09/618732609.db2.gz DPUHEHZMXMRRJB-HIFRSBDPSA-N 0 3 286.375 3.319 20 30 CGEDHN CC1(C)CO[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000892553277 618861353 /nfs/dbraw/zinc/86/13/53/618861353.db2.gz LGFVOKLHSZJPMS-RYUDHWBXSA-N 0 3 298.342 3.209 20 30 CGEDHN CCN(Cc1cc(Cl)cc(C#N)c1)C[C@H](C)OC ZINC000930539953 619012781 /nfs/dbraw/zinc/01/27/81/619012781.db2.gz PCBVOXRYSQDKDK-NSHDSACASA-N 0 3 266.772 3.068 20 30 CGEDHN N#CC(C(=O)CCCOc1ccccc1)c1ccccn1 ZINC000072590955 625311299 /nfs/dbraw/zinc/31/12/99/625311299.db2.gz DVOCSAFPWFQOCV-OAHLLOKOSA-N 0 3 280.327 3.117 20 30 CGEDHN C[C@@H](C[C@@H](O)c1cccs1)NCC#Cc1ccccc1 ZINC000893268346 619054893 /nfs/dbraw/zinc/05/48/93/619054893.db2.gz VEQJKROFLLKYDK-GOEBONIOSA-N 0 3 285.412 3.201 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cs1 ZINC000894485010 619551414 /nfs/dbraw/zinc/55/14/14/619551414.db2.gz JQLLLCFGNOXTIO-KBPBESRZSA-N 0 3 290.432 3.258 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccc(F)cc1 ZINC000894575731 619579972 /nfs/dbraw/zinc/57/99/72/619579972.db2.gz VMXGMFQFDBHHOF-ATLSCFEFSA-N 0 3 287.378 3.295 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccc3occc3c2)CC1 ZINC000895834259 619895032 /nfs/dbraw/zinc/89/50/32/619895032.db2.gz JDQYZLJUDNEQAY-UHFFFAOYSA-N 0 3 271.360 3.336 20 30 CGEDHN CC(C)(NCC#Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000896019713 619931785 /nfs/dbraw/zinc/93/17/85/619931785.db2.gz MKCOFVFYMXMNSI-GOSISDBHSA-N 0 3 279.383 3.140 20 30 CGEDHN C#CCN(CCSCC)[C@@H]1CCc2ccccc21 ZINC000303748262 620194025 /nfs/dbraw/zinc/19/40/25/620194025.db2.gz GXLWUTWKOKUSTF-MRXNPFEDSA-N 0 3 259.418 3.362 20 30 CGEDHN C=C1CCC(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000888138313 620307592 /nfs/dbraw/zinc/30/75/92/620307592.db2.gz NWVHTOMUVGHROU-UHFFFAOYSA-N 0 3 272.392 3.433 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H](O)c1ccc(Cl)cc1 ZINC000785998850 620393375 /nfs/dbraw/zinc/39/33/75/620393375.db2.gz OMHOHRPOJSXDLX-LSDHHAIUSA-N 0 3 265.784 3.414 20 30 CGEDHN C/C(=C/c1ccccc1)CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897601881 620407412 /nfs/dbraw/zinc/40/74/12/620407412.db2.gz AEHDOLLFUCNLQZ-SSZFMOIBSA-N 0 3 297.398 3.428 20 30 CGEDHN Cc1ccncc1CCCN(C)Cc1cc(C#N)cs1 ZINC000897625067 620412327 /nfs/dbraw/zinc/41/23/27/620412327.db2.gz BGYRQEKZNXYNJA-UHFFFAOYSA-N 0 3 285.416 3.388 20 30 CGEDHN C[C@H](CCc1ccccc1)CNCc1nc(C#N)cs1 ZINC000897628583 620413710 /nfs/dbraw/zinc/41/37/10/620413710.db2.gz LDJKLKSSRINTGN-CYBMUJFWSA-N 0 3 285.416 3.373 20 30 CGEDHN CC1(C)CCC[C@H](CNCc2csc(C#N)c2)O1 ZINC000898046307 620463429 /nfs/dbraw/zinc/46/34/29/620463429.db2.gz FLISXKVLKJOAAT-GFCCVEGCSA-N 0 3 264.394 3.057 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CC(Cc2ccoc2)C1 ZINC000898160269 620484608 /nfs/dbraw/zinc/48/46/08/620484608.db2.gz XTMBZLORKHECGU-UHFFFAOYSA-N 0 3 280.371 3.443 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cnn(CC2CCC2)c1 ZINC000898178319 620489962 /nfs/dbraw/zinc/48/99/62/620489962.db2.gz ALWGRBSRICQGAW-YSVLISHTSA-N 0 3 286.423 3.416 20 30 CGEDHN C[C@@H](NC[C@]1(C)CCCCO1)c1ccc(C#N)cc1F ZINC000927022755 620563326 /nfs/dbraw/zinc/56/33/26/620563326.db2.gz SFALMOCFOHEEMH-WBMJQRKESA-N 0 3 276.355 3.307 20 30 CGEDHN C=CC(C)(C)NCc1cnc(N(CC)CC)s1 ZINC000898457716 620589990 /nfs/dbraw/zinc/58/99/90/620589990.db2.gz SGVVVSNRVNLYPZ-UHFFFAOYSA-N 0 3 253.415 3.044 20 30 CGEDHN C=CC(C)(C)NCc1cnc(-c2ccccc2)nc1 ZINC000898456443 620589998 /nfs/dbraw/zinc/58/99/98/620589998.db2.gz BIFXWUSKVOPYHC-UHFFFAOYSA-N 0 3 253.349 3.198 20 30 CGEDHN C=CCCCCC[C@@H](C)NCc1csc(N)n1 ZINC000902499979 621346559 /nfs/dbraw/zinc/34/65/59/621346559.db2.gz RNPUPFXILDIFRD-LLVKDONJSA-N 0 3 253.415 3.340 20 30 CGEDHN C[C@@H](NCCCNc1ccccc1)c1cc(C#N)ccn1 ZINC000902808055 621444693 /nfs/dbraw/zinc/44/46/93/621444693.db2.gz BEUBXOPYMIOJPC-CQSZACIVSA-N 0 3 280.375 3.106 20 30 CGEDHN CCC1(CC)[C@H](N[C@@H](C)c2cc(C#N)ccn2)C[C@@H]1OC ZINC000902880643 621481620 /nfs/dbraw/zinc/48/16/20/621481620.db2.gz KTELNLICWLWJKU-MAZHCROVSA-N 0 3 287.407 3.198 20 30 CGEDHN CC[C@H](NCC1(C#N)CCC1)c1ccc(C)cc1O ZINC000903033486 621536854 /nfs/dbraw/zinc/53/68/54/621536854.db2.gz VILORISKSRNPGQ-AWEZNQCLSA-N 0 3 258.365 3.435 20 30 CGEDHN N#CC1(CN[C@@H](C2CCC2)[C@@H]2CCCO2)CCCC1 ZINC000903109877 621583686 /nfs/dbraw/zinc/58/36/86/621583686.db2.gz WVFNCSSIHOOHGY-GJZGRUSLSA-N 0 3 262.397 3.008 20 30 CGEDHN C=CCC[C@H](CCC)NCc1nc(CN(C)C)cs1 ZINC000903227440 621637721 /nfs/dbraw/zinc/63/77/21/621637721.db2.gz UZSJCKKJJUARLX-ZDUSSCGKSA-N 0 3 281.469 3.429 20 30 CGEDHN CC[C@@H](CCC(F)(F)F)NCc1nc(C#N)cs1 ZINC000903263547 621648636 /nfs/dbraw/zinc/64/86/36/621648636.db2.gz NWCUQHWHCOGNSJ-QMMMGPOBSA-N 0 3 277.315 3.225 20 30 CGEDHN C[C@@H](N[C@@H]1CCOC12CCCCC2)c1cc(C#N)ccn1 ZINC000903268149 621654507 /nfs/dbraw/zinc/65/45/07/621654507.db2.gz LBAMPSWHCJVTIE-CZUORRHYSA-N 0 3 285.391 3.096 20 30 CGEDHN C[C@H](NCCCOc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000903445345 621756706 /nfs/dbraw/zinc/75/67/06/621756706.db2.gz HGGRCPAZDQNTIG-ZDUSSCGKSA-N 0 3 299.349 3.212 20 30 CGEDHN CCCc1ccc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905083883 622033292 /nfs/dbraw/zinc/03/32/92/622033292.db2.gz HAUHYNRKXCVKHI-JBBGTMGVSA-N 0 3 273.361 3.133 20 30 CGEDHN CC1/C(=C\c2csc(C(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905087331 622033860 /nfs/dbraw/zinc/03/38/60/622033860.db2.gz XGHNMFHXEPLHCD-YYHMDIAISA-N 0 3 299.277 3.199 20 30 CGEDHN N#Cc1cc(Cl)cc(-c2cnc([C@@H]3CCCN3)nc2)c1 ZINC000906185808 622176178 /nfs/dbraw/zinc/17/61/78/622176178.db2.gz QDWXSBRGDHFIEI-AWEZNQCLSA-N 0 3 284.750 3.093 20 30 CGEDHN C=CC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174788533 622427766 /nfs/dbraw/zinc/42/77/66/622427766.db2.gz NOKCDJIYWOJBOY-HNNXBMFYSA-N 0 3 265.784 3.271 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccnn1C1CCCCC1 ZINC000912028890 622586813 /nfs/dbraw/zinc/58/68/13/622586813.db2.gz IBLJMSFOVPGECV-CQSZACIVSA-N 0 3 290.411 3.010 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000912188127 622615577 /nfs/dbraw/zinc/61/55/77/622615577.db2.gz ZYLOPKYNSAYEDH-HZPDHXFCSA-N 0 3 290.382 3.173 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1OCCCC ZINC000912265803 622623549 /nfs/dbraw/zinc/62/35/49/622623549.db2.gz XYMVVXOMOHDIHA-AWEZNQCLSA-N 0 3 290.407 3.488 20 30 CGEDHN C#C[C@H](CC)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000229890328 623173628 /nfs/dbraw/zinc/17/36/28/623173628.db2.gz RXYRLTTXCCYCNI-GFCCVEGCSA-N 0 3 279.767 3.003 20 30 CGEDHN C=CCN(Cc1ccc(OCC(F)(F)F)nc1)C(C)C ZINC000766021350 624038706 /nfs/dbraw/zinc/03/87/06/624038706.db2.gz PDPKKUVQXBEGNA-UHFFFAOYSA-N 0 3 288.313 3.419 20 30 CGEDHN CCCCCCCCCNC(=O)N1CCCN(C)CC1 ZINC000916193977 624122323 /nfs/dbraw/zinc/12/23/23/624122323.db2.gz CCXHAZLGHILVMA-UHFFFAOYSA-N 0 3 283.460 3.084 20 30 CGEDHN Clc1ccccc1N=NCc1cn2ccccc2n1 ZINC000918707863 624369077 /nfs/dbraw/zinc/36/90/77/624369077.db2.gz RCNCEXVUWYLINX-UHFFFAOYSA-N 0 3 270.723 3.434 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000237701871 624674801 /nfs/dbraw/zinc/67/48/01/624674801.db2.gz JTSSKBBKJANZKB-ZDUSSCGKSA-N 0 3 284.334 3.406 20 30 CGEDHN C#CCOC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000181502465 624867668 /nfs/dbraw/zinc/86/76/68/624867668.db2.gz IKYLKYFBPYQENN-UHFFFAOYSA-N 0 3 293.366 3.109 20 30 CGEDHN CCCCCCCN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181774184 624894425 /nfs/dbraw/zinc/89/44/25/624894425.db2.gz YERCUXWTLAWXKP-INIZCTEOSA-N 0 3 297.464 3.332 20 30 CGEDHN C[C@]1(CNCc2csc(C#N)c2)CC1(Cl)Cl ZINC000922157668 625974415 /nfs/dbraw/zinc/97/44/15/625974415.db2.gz BFJFWSMADURXIT-SNVBAGLBSA-N 0 3 275.204 3.293 20 30 CGEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1F ZINC000922168825 625978634 /nfs/dbraw/zinc/97/86/34/625978634.db2.gz YPDQUYMKVWVWTP-UHFFFAOYSA-N 0 3 296.345 3.312 20 30 CGEDHN COc1ccc(O)c([C@H](C)NCc2csc(C#N)c2)c1 ZINC000922217482 625984954 /nfs/dbraw/zinc/98/49/54/625984954.db2.gz RBOUSRJFASWKDY-JTQLQIEISA-N 0 3 288.372 3.185 20 30 CGEDHN C=C1CCC(CNCc2nccn2CC(F)(F)F)CC1 ZINC000922711762 626037757 /nfs/dbraw/zinc/03/77/57/626037757.db2.gz PSLKSGPJAIVLOS-UHFFFAOYSA-N 0 3 287.329 3.281 20 30 CGEDHN C#CCC1(NCc2cc(C)c(Br)cn2)CCC1 ZINC000922997912 626117211 /nfs/dbraw/zinc/11/72/11/626117211.db2.gz DUGASSQLYXCHSE-UHFFFAOYSA-N 0 3 293.208 3.188 20 30 CGEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1ccsc1C#N ZINC000923566299 626164286 /nfs/dbraw/zinc/16/42/86/626164286.db2.gz KCNDDMBTAFDVTN-GFCCVEGCSA-N 0 3 292.404 3.039 20 30 CGEDHN Cc1cc(CNCC(C)(C)CC#N)cnc1Cl ZINC000839163204 626330071 /nfs/dbraw/zinc/33/00/71/626330071.db2.gz KJKUMBULLVOQLO-UHFFFAOYSA-N 0 3 251.761 3.073 20 30 CGEDHN C[C@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)[C@H]1C ZINC000751943967 626412679 /nfs/dbraw/zinc/41/26/79/626412679.db2.gz SGKOWCVVNXZOHD-KBPBESRZSA-N 0 3 280.375 3.110 20 30 CGEDHN C[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@@H]1C ZINC000752076085 626417624 /nfs/dbraw/zinc/41/76/24/626417624.db2.gz NPMTUWDHZXMBOA-RYUDHWBXSA-N 0 3 278.783 3.330 20 30 CGEDHN CC(C)CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1 ZINC000753938621 626469420 /nfs/dbraw/zinc/46/94/20/626469420.db2.gz KZWMFMGANJTPPI-HZPDHXFCSA-N 0 3 298.434 3.297 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000756903427 626740256 /nfs/dbraw/zinc/74/02/56/626740256.db2.gz UMJDSCKLPWVINR-LLVKDONJSA-N 0 3 277.368 3.093 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cnc2ccc(C)cc2c1 ZINC000839580400 626763394 /nfs/dbraw/zinc/76/33/94/626763394.db2.gz HQLNLQNRQIOOQG-UHFFFAOYSA-N 0 3 252.361 3.387 20 30 CGEDHN C#C[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(C)(C)C ZINC000809780962 627073530 /nfs/dbraw/zinc/07/35/30/627073530.db2.gz BPPXWUYGPVVDGS-CYBMUJFWSA-N 0 3 265.784 3.492 20 30 CGEDHN C#CCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000764598782 627214026 /nfs/dbraw/zinc/21/40/26/627214026.db2.gz IESUCKAQGMUWHD-KRWDZBQOSA-N 0 3 271.310 3.471 20 30 CGEDHN C#CCCOc1ccc(CN(CC=C)CC=C)cc1 ZINC000768136939 627462611 /nfs/dbraw/zinc/46/26/11/627462611.db2.gz INWKULAFWDJUFB-UHFFFAOYSA-N 0 3 255.361 3.263 20 30 CGEDHN C#CCN(Cc1ccc(C#N)s1)C1CCCCC1 ZINC000769146299 627525792 /nfs/dbraw/zinc/52/57/92/627525792.db2.gz SCCCOGUIRGQOTD-UHFFFAOYSA-N 0 3 258.390 3.388 20 30 CGEDHN CCCCCCCCCNC(=O)N1CCCN(CC)CC1 ZINC000769611337 627569251 /nfs/dbraw/zinc/56/92/51/627569251.db2.gz KJEJJRATTNCLHS-UHFFFAOYSA-N 0 3 297.487 3.474 20 30 CGEDHN C#CC[C@@H](NCc1cccc2nccn21)c1ccccc1 ZINC000769692978 627572794 /nfs/dbraw/zinc/57/27/94/627572794.db2.gz WYEASFVRCQPJNS-QGZVFWFLSA-N 0 3 275.355 3.189 20 30 CGEDHN C#C[C@H](C)N(C)CCOc1c(Cl)cccc1Cl ZINC000769976300 627593738 /nfs/dbraw/zinc/59/37/38/627593738.db2.gz YNDFRBDWIJUHND-JTQLQIEISA-N 0 3 272.175 3.326 20 30 CGEDHN C=CC[C@H](N[C@H](C)c1cccnc1)c1ccncc1 ZINC000771390716 627705814 /nfs/dbraw/zinc/70/58/14/627705814.db2.gz QAEWVHOMAHODGX-CJNGLKHVSA-N 0 3 253.349 3.445 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2C)c1ccccc1 ZINC000874833365 634629370 /nfs/dbraw/zinc/62/93/70/634629370.db2.gz KTEJJAVXANCWAM-KSZLIROESA-N 0 3 298.430 3.041 20 30 CGEDHN CCCCCCCN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000776851218 628236841 /nfs/dbraw/zinc/23/68/41/628236841.db2.gz WYCNMNCAPOTVTI-ZDUSSCGKSA-N 0 3 256.434 3.192 20 30 CGEDHN C[C@@H](NC[C@@H]1CSCCS1)c1ccc(C#N)cc1F ZINC000781424234 628559559 /nfs/dbraw/zinc/55/95/59/628559559.db2.gz VZLGMXFZCUTGBJ-ZYHUDNBSSA-N 0 3 296.436 3.197 20 30 CGEDHN CN(C)c1ccc(CN2CCC(CC#N)CC2)cc1F ZINC000781926473 628605601 /nfs/dbraw/zinc/60/56/01/628605601.db2.gz FRBCVABJOFVBTJ-UHFFFAOYSA-N 0 3 275.371 3.017 20 30 CGEDHN C=CCN(c1ccnc2cc(OC)ccc21)C1CC1 ZINC000784367391 628810235 /nfs/dbraw/zinc/81/02/35/628810235.db2.gz LLZYQDDKMKSIRU-UHFFFAOYSA-N 0 3 254.333 3.398 20 30 CGEDHN CCOC(CCN[C@@H](C)c1ccc(C#N)cc1F)OCC ZINC000786965623 628973387 /nfs/dbraw/zinc/97/33/87/628973387.db2.gz BACMNOMJNDXISL-LBPRGKRZSA-N 0 3 294.370 3.137 20 30 CGEDHN CCCCCCCCCC(=O)N1CCN2CCC1CC2 ZINC000787504979 629015020 /nfs/dbraw/zinc/01/50/20/629015020.db2.gz GMEUABZNMNWIAK-UHFFFAOYSA-N 0 3 280.456 3.434 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cc[nH]c(=O)c1 ZINC000788818311 629084433 /nfs/dbraw/zinc/08/44/33/629084433.db2.gz PKLPTSSHMKELPQ-SNVBAGLBSA-N 0 3 287.750 3.163 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H]2CCCC[C@@H]2C)n1 ZINC000789761805 629166020 /nfs/dbraw/zinc/16/60/20/629166020.db2.gz JABMHFSVXPKDSV-JKSUJKDBSA-N 0 3 273.424 3.165 20 30 CGEDHN C#CCN(C)CCCOc1cccc(C(F)(F)F)c1 ZINC000792306620 629356296 /nfs/dbraw/zinc/35/62/96/629356296.db2.gz ZXNZHPVMFZNHEL-UHFFFAOYSA-N 0 3 271.282 3.039 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)cc3c2OCC3)C1 ZINC000862445058 629378528 /nfs/dbraw/zinc/37/85/28/629378528.db2.gz LAHFUTYRDHHPKG-GFCCVEGCSA-N 0 3 275.779 3.120 20 30 CGEDHN C=CCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793098735 629410789 /nfs/dbraw/zinc/41/07/89/629410789.db2.gz MIQQTPKINLMYOO-UHFFFAOYSA-N 0 3 272.314 3.389 20 30 CGEDHN CN(CCC#N)c1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793358247 629447212 /nfs/dbraw/zinc/44/72/12/629447212.db2.gz CMULVQXVSMMJLW-UHFFFAOYSA-N 0 3 293.361 3.268 20 30 CGEDHN C=C(Br)CN[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794600837 629559579 /nfs/dbraw/zinc/55/95/79/629559579.db2.gz BCKYGUOOCJEZNR-ZIAGYGMSSA-N 0 3 298.224 3.243 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@@H](C2CC2)O1 ZINC000930271293 629694775 /nfs/dbraw/zinc/69/47/75/629694775.db2.gz VUAQITBRFJCKSR-ZBFHGGJFSA-N 0 3 276.424 3.350 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796738580 629823462 /nfs/dbraw/zinc/82/34/62/629823462.db2.gz KYXLJURUUSRNFO-GFCCVEGCSA-N 0 3 281.359 3.186 20 30 CGEDHN CC(C)O[C@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000796747387 629824917 /nfs/dbraw/zinc/82/49/17/629824917.db2.gz NJMZOUWZFLQUAC-YJBOKZPZSA-N 0 3 294.354 3.424 20 30 CGEDHN CC(C)O[C@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000796747383 629824954 /nfs/dbraw/zinc/82/49/54/629824954.db2.gz NJMZOUWZFLQUAC-QAPCUYQASA-N 0 3 294.354 3.424 20 30 CGEDHN C#C[C@H](/N=C\c1ccc(N(CC)CC)cc1O)C(C)C ZINC000798343595 630046076 /nfs/dbraw/zinc/04/60/76/630046076.db2.gz KZJMGPUWVPJKHD-JIHKLPAASA-N 0 3 272.392 3.315 20 30 CGEDHN C=CCN1CC[C@@H](N(C)CCCCCCCC)C1=O ZINC000799177363 630153408 /nfs/dbraw/zinc/15/34/08/630153408.db2.gz MSGZCQHZDDZKTR-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN N#CCC1(CNCc2cnc3c(F)cccc3c2)CC1 ZINC000865550824 630183598 /nfs/dbraw/zinc/18/35/98/630183598.db2.gz KXDVKPZPISPHEL-UHFFFAOYSA-N 0 3 269.323 3.157 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc2c(F)cccc2c1 ZINC000865599953 630212206 /nfs/dbraw/zinc/21/22/06/630212206.db2.gz XXRXBVCYYPTZLI-UHFFFAOYSA-N 0 3 271.339 3.403 20 30 CGEDHN N#CC1(c2ccccn2)CCN(CCc2cccs2)CC1 ZINC000800408826 630275714 /nfs/dbraw/zinc/27/57/14/630275714.db2.gz FSMDBXPTXNAAQS-UHFFFAOYSA-N 0 3 297.427 3.243 20 30 CGEDHN C#Cc1ccc(CNCc2ccc([C@@H](C)O)cc2)cc1 ZINC000809610424 630760863 /nfs/dbraw/zinc/76/08/63/630760863.db2.gz ZOODJDRSGAZNRD-CQSZACIVSA-N 0 3 265.356 3.011 20 30 CGEDHN C#Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000809627580 630766924 /nfs/dbraw/zinc/76/69/24/630766924.db2.gz CKQFDSISPQVHHM-UHFFFAOYSA-N 0 3 272.351 3.318 20 30 CGEDHN C#C[C@@H](C)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000809684052 630779598 /nfs/dbraw/zinc/77/95/98/630779598.db2.gz ZGQZWVUEPOWMAQ-SECBINFHSA-N 0 3 282.170 3.381 20 30 CGEDHN C#C[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000809685522 630780946 /nfs/dbraw/zinc/78/09/46/630780946.db2.gz YFYWZPFSUXZWHE-ZDUSSCGKSA-N 0 3 251.757 3.101 20 30 CGEDHN C#C[C@H](NCc1c(C2CC2)nc2sccn12)C(C)(C)C ZINC000809781807 630806238 /nfs/dbraw/zinc/80/62/38/630806238.db2.gz BKRXAXITLZVGCX-ZDUSSCGKSA-N 0 3 287.432 3.411 20 30 CGEDHN C#C[C@H](NCc1cn(C)nc1-c1cccs1)C(C)(C)C ZINC000809782332 630807813 /nfs/dbraw/zinc/80/78/13/630807813.db2.gz PHHFAWDLVZCAIJ-AWEZNQCLSA-N 0 3 287.432 3.286 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000810214978 630854987 /nfs/dbraw/zinc/85/49/87/630854987.db2.gz NCRJXEWMIUCAIK-SFHVURJKSA-N 0 3 290.366 3.270 20 30 CGEDHN Cc1cccc(C(C)C)c1NNC1=CC(=O)N2CCCC12 ZINC000812231883 631223544 /nfs/dbraw/zinc/22/35/44/631223544.db2.gz ISZUQNMDHIYQAL-HNNXBMFYSA-N 0 3 285.391 3.281 20 30 CGEDHN COc1cccc(O)c1/C=N/C[C@@H](c1ccccc1)N(C)C ZINC000812392389 631243098 /nfs/dbraw/zinc/24/30/98/631243098.db2.gz LKHUUTNWUPYVLQ-QUYZQLMHSA-N 0 3 298.386 3.123 20 30 CGEDHN CO[C@@H]1CCC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000815915512 631834571 /nfs/dbraw/zinc/83/45/71/631834571.db2.gz QWCLUHZUMRKDDP-JHJVBQTASA-N 0 3 298.342 3.209 20 30 CGEDHN C#CCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816471858 631988047 /nfs/dbraw/zinc/98/80/47/631988047.db2.gz OPJJPLYMVWLUQY-FUHWJXTLSA-N 0 3 299.414 3.386 20 30 CGEDHN C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2c1c(F)ccc2[O-] ZINC000818356232 632313465 /nfs/dbraw/zinc/31/34/65/632313465.db2.gz LXANNSSICPKBBH-MEWQQHAOSA-N 0 3 274.339 3.361 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(OC)c1OC ZINC000866342084 633088353 /nfs/dbraw/zinc/08/83/53/633088353.db2.gz RDIMXGREVAXBLB-YDHLFZDLSA-N 0 3 288.391 3.437 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1ccccc1F ZINC000823617173 633127527 /nfs/dbraw/zinc/12/75/27/633127527.db2.gz GJRYDYCBKIQYSW-ACJLOTCBSA-N 0 3 298.361 3.424 20 30 CGEDHN CC[C@H](NCc1ccnc(F)c1)c1ccc(C#N)cc1 ZINC000866473210 633147294 /nfs/dbraw/zinc/14/72/94/633147294.db2.gz BWDSHCXARPKAEK-HNNXBMFYSA-N 0 3 269.323 3.333 20 30 CGEDHN C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccnn1C ZINC000866615578 633215235 /nfs/dbraw/zinc/21/52/35/633215235.db2.gz VZYHLXBZBBNJDB-CXAGYDPISA-N 0 3 294.402 3.410 20 30 CGEDHN CC[C@@H](N[C@H](C)c1ccnn1C)c1ccc(C#N)cc1 ZINC000866615833 633215759 /nfs/dbraw/zinc/21/57/59/633215759.db2.gz XAEWKUHVHZCWTK-IUODEOHRSA-N 0 3 268.364 3.094 20 30 CGEDHN C#C[C@@H](NCc1cc2cc(Cl)cnc2o1)C(C)C ZINC000824364180 633235686 /nfs/dbraw/zinc/23/56/86/633235686.db2.gz VQJFITUQEZKKSY-CYBMUJFWSA-N 0 3 262.740 3.229 20 30 CGEDHN C#C[C@H](N[C@H](C)Cc1ccoc1)c1ccc(F)cc1 ZINC000824423593 633243890 /nfs/dbraw/zinc/24/38/90/633243890.db2.gz QRQUOXJLFDKANE-WBMJQRKESA-N 0 3 257.308 3.314 20 30 CGEDHN C#CCN(Cc1cc(COC)cs1)C1CCCC1 ZINC000824902372 633303942 /nfs/dbraw/zinc/30/39/42/633303942.db2.gz VQURBSVRMSJUJF-UHFFFAOYSA-N 0 3 263.406 3.272 20 30 CGEDHN COc1cncc(/C=C\CCN(CCC#N)CC(C)C)c1 ZINC000827936311 633536883 /nfs/dbraw/zinc/53/68/83/633536883.db2.gz JRDGZWXCSKSGGW-DAXSKMNVSA-N 0 3 287.407 3.365 20 30 CGEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000829778452 633782223 /nfs/dbraw/zinc/78/22/23/633782223.db2.gz CFTFWALUWXAOKE-SJORKVTESA-N 0 3 298.430 3.366 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)C1 ZINC000829810089 633793208 /nfs/dbraw/zinc/79/32/08/633793208.db2.gz LSARKUVERZOHSM-LBPRGKRZSA-N 0 3 282.309 3.336 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)nc(Cl)c1 ZINC000831829664 634005121 /nfs/dbraw/zinc/00/51/21/634005121.db2.gz LNLDJPQWEJRKGK-MNOVXSKESA-N 0 3 287.190 3.212 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(F)cccc1OCC ZINC000873120471 634250297 /nfs/dbraw/zinc/25/02/97/634250297.db2.gz RWIYLMNEEHTAMA-SUMWQHHRSA-N 0 3 293.382 3.295 20 30 CGEDHN CN(C)c1ccc(/C=C/C=NNC[C@H]2CCSC2)cc1 ZINC000834979027 634302245 /nfs/dbraw/zinc/30/22/45/634302245.db2.gz FEBFIJOBOJDUNC-RKPYUUKPSA-N 0 3 289.448 3.094 20 30 CGEDHN C[C@@H](NN=C1CCCc2cc(N)ccc21)C(C)(C)C ZINC000834980600 634303024 /nfs/dbraw/zinc/30/30/24/634303024.db2.gz AQEUBCYDWYXKNN-LLVKDONJSA-N 0 3 259.397 3.333 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000876647030 634874797 /nfs/dbraw/zinc/87/47/97/634874797.db2.gz DKNVDJSDDTXZPF-CABCVRRESA-N 0 3 292.810 3.114 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000876690582 634881787 /nfs/dbraw/zinc/88/17/87/634881787.db2.gz NSLUGQDUCDNYCH-AWEZNQCLSA-N 0 3 298.858 3.419 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1cc(C)ccc1C ZINC000877064596 634968635 /nfs/dbraw/zinc/96/86/35/634968635.db2.gz BLYFVMTYJNPHRH-CABCVRRESA-N 0 3 294.826 3.341 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(c1ccccc1)[C@@H](C)C1CC1 ZINC000877139636 634999744 /nfs/dbraw/zinc/99/97/44/634999744.db2.gz UUDLUVVIZPDUNR-SWLSCSKDSA-N 0 3 292.810 3.288 20 30 CGEDHN CN(C)c1ccc(F)cc1CN1CCC(CC#N)CC1 ZINC000877191350 635010417 /nfs/dbraw/zinc/01/04/17/635010417.db2.gz QTXDKTRYNNXIQK-UHFFFAOYSA-N 0 3 275.371 3.017 20 30 CGEDHN Cc1ccc(C[N@H+](C)CCc2cccc(C#N)c2)c([O-])c1 ZINC000877704374 635157660 /nfs/dbraw/zinc/15/76/60/635157660.db2.gz HFHURSGABGIASU-UHFFFAOYSA-N 0 3 280.371 3.247 20 30 CGEDHN Cc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)c([O-])c1 ZINC000877704374 635157666 /nfs/dbraw/zinc/15/76/66/635157666.db2.gz HFHURSGABGIASU-UHFFFAOYSA-N 0 3 280.371 3.247 20 30 CGEDHN CC(C)c1cc([C@H]2CCCN(Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000877783608 635203383 /nfs/dbraw/zinc/20/33/83/635203383.db2.gz BCCFWFVYDJBVJL-ZDUSSCGKSA-N 0 3 298.390 3.377 20 30 CGEDHN CCCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056442 635339472 /nfs/dbraw/zinc/33/94/72/635339472.db2.gz VZKIFGGSDYRNAT-GOSISDBHSA-N 0 3 284.403 3.301 20 30 CGEDHN C=CC1CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878092946 635352447 /nfs/dbraw/zinc/35/24/47/635352447.db2.gz AJCMOMDTCBHNMQ-LJQANCHMSA-N 0 3 296.414 3.325 20 30 CGEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942345 635522143 /nfs/dbraw/zinc/52/21/43/635522143.db2.gz XQXKMUUFZPPVLO-GXSJLCMTSA-N 0 3 280.418 3.338 20 30 CGEDHN C#CC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000843426802 635671488 /nfs/dbraw/zinc/67/14/88/635671488.db2.gz KPJBHKALQWHXGH-UHFFFAOYSA-N 0 3 283.400 3.050 20 30 CGEDHN C=CCCC[C@H](NCC(=O)Nc1ccon1)c1ccccc1 ZINC000880387958 635991572 /nfs/dbraw/zinc/99/15/72/635991572.db2.gz HILWUHWRLOIUAL-HNNXBMFYSA-N 0 3 299.374 3.300 20 30 CGEDHN C=CCCC[C@H](NCC(=O)N1CCCC1)c1ccccc1 ZINC000880389418 635992212 /nfs/dbraw/zinc/99/22/12/635992212.db2.gz UCRBYSUKKWYVHL-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN C#CCOc1ccccc1CN1CCC2(CC2(F)F)CC1 ZINC000846054258 636138906 /nfs/dbraw/zinc/13/89/06/636138906.db2.gz JGPWUJJQAHIJBI-UHFFFAOYSA-N 0 3 291.341 3.320 20 30 CGEDHN C#CC[C@H](NCC1(Br)CC1)c1ccccc1 ZINC000846845587 636258557 /nfs/dbraw/zinc/25/85/57/636258557.db2.gz YWBLIVMAEQONPL-ZDUSSCGKSA-N 0 3 278.193 3.268 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000847030912 636318662 /nfs/dbraw/zinc/31/86/62/636318662.db2.gz OTIKAXFKBSPENK-OAHLLOKOSA-N 0 3 295.382 3.255 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCO1 ZINC000883205273 636584347 /nfs/dbraw/zinc/58/43/47/636584347.db2.gz SEZSLKDFZWBZMV-SJORKVTESA-N 0 3 288.366 3.301 20 30 CGEDHN N#Cc1ccc(C2(N[C@H]3CCCc4n[nH]cc43)CCC2)cc1 ZINC000848566967 636609689 /nfs/dbraw/zinc/60/96/89/636609689.db2.gz NBEHPBBTCRHSAJ-INIZCTEOSA-N 0 3 292.386 3.328 20 30 CGEDHN N#Cc1ccc(C2([NH2+]Cc3ccccc3[O-])CCC2)cc1 ZINC000848568326 636610634 /nfs/dbraw/zinc/61/06/34/636610634.db2.gz FZYPWWRKCPMTKD-UHFFFAOYSA-N 0 3 278.355 3.433 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000883401507 636743584 /nfs/dbraw/zinc/74/35/84/636743584.db2.gz OHJXMBGHYYIUAY-OAHLLOKOSA-N 0 3 271.360 3.363 20 30 CGEDHN N#CCCNC(=N)Nc1cccc(Oc2ccccc2)c1 ZINC000849109409 636747110 /nfs/dbraw/zinc/74/71/10/636747110.db2.gz OXRWNXGVSDJBSQ-UHFFFAOYSA-N 0 3 280.331 3.329 20 30 CGEDHN C=CCCC(C)(C)NCc1ncc(CN(C)C)s1 ZINC000850417016 637053873 /nfs/dbraw/zinc/05/38/73/637053873.db2.gz LFWFFAFKGWVFOA-UHFFFAOYSA-N 0 3 267.442 3.039 20 30 CGEDHN N#Cc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000850487559 637087801 /nfs/dbraw/zinc/08/78/01/637087801.db2.gz IGVHEJUIBXKVTR-MRXNPFEDSA-N 0 3 278.355 3.083 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850738054 637136329 /nfs/dbraw/zinc/13/63/29/637136329.db2.gz CTBCLPZXCWLXAC-YIYPIFLZSA-N 0 3 293.370 3.186 20 30 CGEDHN C#CC[C@H]1CCN(Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000886353307 637509730 /nfs/dbraw/zinc/50/97/30/637509730.db2.gz GJRHQYNTKLVCRE-AWEZNQCLSA-N 0 3 296.370 3.195 20 30 CGEDHN C#CC[C@@H]1CCN([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000886357823 637513067 /nfs/dbraw/zinc/51/30/67/637513067.db2.gz MHPLQTHCBDGRLD-HUUCEWRRSA-N 0 3 295.386 3.451 20 30 CGEDHN C#CCN(C(=O)CCCCC(C)(C)C)C1CCN(C)CC1 ZINC000886575613 637587131 /nfs/dbraw/zinc/58/71/31/637587131.db2.gz BVJBZVKULGEDKN-UHFFFAOYSA-N 0 3 292.467 3.149 20 30 CGEDHN C#CCN(C(=O)C[C@H](C)CC(C)(C)C)C1CCN(C)CC1 ZINC000886583346 637592160 /nfs/dbraw/zinc/59/21/60/637592160.db2.gz MJNBOUZHJIBCRA-HNNXBMFYSA-N 0 3 292.467 3.005 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@H](O)c2cccc3ccccc32)C1 ZINC000852320191 637634454 /nfs/dbraw/zinc/63/44/54/637634454.db2.gz XIEQURZXQGDUHW-BEFAXECRSA-N 0 3 294.398 3.499 20 30 CGEDHN C=CCN(C[C@]1(C)CC1(Cl)Cl)[C@@H](C)COC ZINC000852356582 637641910 /nfs/dbraw/zinc/64/19/10/637641910.db2.gz IULZRHHJKZTXDW-QWRGUYRKSA-N 0 3 266.212 3.093 20 30 CGEDHN C=CCN(C[C@H](O)c1cccc2ccccc21)[C@@H](C)COC ZINC000852356302 637642705 /nfs/dbraw/zinc/64/27/05/637642705.db2.gz AIQHEBDJCYDKOK-KXBFYZLASA-N 0 3 299.414 3.396 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000886761451 637679119 /nfs/dbraw/zinc/67/91/19/637679119.db2.gz DZAWAQZRJWQWGY-UHFFFAOYSA-N 0 3 297.345 3.191 20 30 CGEDHN C=CCC1(O)CCN(CCCC(=O)c2ccccc2)CC1 ZINC000886778819 637686025 /nfs/dbraw/zinc/68/60/25/637686025.db2.gz WSPZNNSULFDGMY-UHFFFAOYSA-N 0 3 287.403 3.053 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1ncco1)C(C)C ZINC000924642273 638382048 /nfs/dbraw/zinc/38/20/48/638382048.db2.gz GRWZWYKSSLIWOG-HUUCEWRRSA-N 0 3 277.412 3.024 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cn(C)nc1Cl ZINC000856790891 638391021 /nfs/dbraw/zinc/39/10/21/638391021.db2.gz MZDUIYVGWARKNY-HNNXBMFYSA-N 0 3 289.810 3.351 20 30 CGEDHN CC[C@@H]1COC[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000925601397 638541404 /nfs/dbraw/zinc/54/14/04/638541404.db2.gz LBMKQDKUEJZNSN-VNQPRFMTSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCCOCCN[C@@H](c1ccccn1)C1CCC1 ZINC000925630388 638549005 /nfs/dbraw/zinc/54/90/05/638549005.db2.gz AKOUBTPXYVGMFF-MRXNPFEDSA-N 0 3 260.381 3.105 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NCCCCCCC)CC1 ZINC000858111931 638632142 /nfs/dbraw/zinc/63/21/42/638632142.db2.gz ZBYVGCIHAJAIMH-UHFFFAOYSA-N 0 3 295.471 3.297 20 30 CGEDHN C=C(C)[C@H](N[C@H]1COC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000926207550 638740800 /nfs/dbraw/zinc/74/08/00/638740800.db2.gz VIMTUNFFXRJCKT-LKTVYLICSA-N 0 3 267.319 3.207 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccnn1CC1CCC1 ZINC000926344651 638764741 /nfs/dbraw/zinc/76/47/41/638764741.db2.gz MBRWVCLLXKCFOQ-CYBMUJFWSA-N 0 3 272.396 3.028 20 30 CGEDHN COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000926692225 638799340 /nfs/dbraw/zinc/79/93/40/638799340.db2.gz GMLDFUXKKMVGHW-BBRMVZONSA-N 0 3 290.407 3.301 20 30 CGEDHN C=C1CCC(CN[C@H](C)c2cn(C(C)C)nn2)CC1 ZINC000926925856 638826369 /nfs/dbraw/zinc/82/63/69/638826369.db2.gz PDROASGQBVLCDP-CYBMUJFWSA-N 0 3 262.401 3.256 20 30 CGEDHN C=CCC[C@@H](NCCNc1ccc(C#N)cn1)c1ccco1 ZINC000927166617 638849579 /nfs/dbraw/zinc/84/95/79/638849579.db2.gz ZMDVWMKFPFNIFH-OAHLLOKOSA-N 0 3 296.374 3.255 20 30 CGEDHN C#Cc1ccc(NC(=O)CCN(C)Cc2ccc(C)o2)cc1 ZINC000929213765 638909408 /nfs/dbraw/zinc/90/94/08/638909408.db2.gz RDDJSLGQGXMGGS-UHFFFAOYSA-N 0 3 296.370 3.030 20 30 CGEDHN N#CC[C@@H](O)CN[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000930233065 638984858 /nfs/dbraw/zinc/98/48/58/638984858.db2.gz PCTYMOZUZVBXJO-CVEARBPZSA-N 0 3 292.810 3.435 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@H](c3ccccc3)C2)c1 ZINC000930565027 639026914 /nfs/dbraw/zinc/02/69/14/639026914.db2.gz RGRXTLFQQDVLME-SFHVURJKSA-N 0 3 277.371 3.333 20 30 CGEDHN CN(CCCCC1(C#N)CCC1)Cc1ccccn1 ZINC000930615548 639038944 /nfs/dbraw/zinc/03/89/44/639038944.db2.gz RFABGZZPYDSCNO-UHFFFAOYSA-N 0 3 257.381 3.378 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859446215 639143124 /nfs/dbraw/zinc/14/31/24/639143124.db2.gz XDRLPARGUDWROO-LLVKDONJSA-N 0 3 264.300 3.132 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932196853 639294512 /nfs/dbraw/zinc/29/45/12/639294512.db2.gz MLTGKHVNMJNZJG-INIZCTEOSA-N 0 3 297.427 3.469 20 30 CGEDHN C[C@@]1(Cc2cc(Cl)cs2)CCCN1C[C@H](O)CC#N ZINC000932916042 639398549 /nfs/dbraw/zinc/39/85/49/639398549.db2.gz ITAHAGKUALQOLT-OCCSQVGLSA-N 0 3 298.839 3.073 20 30 CGEDHN Cc1cc(CN2CCC3(CC2)CC(=O)C=CO3)c(C)s1 ZINC000933646051 639473722 /nfs/dbraw/zinc/47/37/22/639473722.db2.gz FCLNKTBXONQLRE-UHFFFAOYSA-N 0 3 291.416 3.203 20 30 CGEDHN CC(C)(C)CN(CCC#N)CC1CCC2(CC1)OCCO2 ZINC000190243862 640234869 /nfs/dbraw/zinc/23/48/69/640234869.db2.gz AUGJWTRNXWSRAR-UHFFFAOYSA-N 0 3 294.439 3.181 20 30 CGEDHN COc1ccc(O)c([C@@H](C)NCC#Cc2ccccc2)c1 ZINC000192156332 640353831 /nfs/dbraw/zinc/35/38/31/640353831.db2.gz FTRHDMSZPYETFV-CQSZACIVSA-N 0 3 281.355 3.103 20 30 CGEDHN C#CCN(Cc1cnc2c(C)cccn12)C1CCCC1 ZINC000093819787 640782746 /nfs/dbraw/zinc/78/27/46/640782746.db2.gz HGLQWKNAYMRDFI-UHFFFAOYSA-N 0 3 267.376 3.021 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009088114 640954831 /nfs/dbraw/zinc/95/48/31/640954831.db2.gz PIRDLTFPNOLNMZ-SFHVURJKSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015991768 640989525 /nfs/dbraw/zinc/98/95/25/640989525.db2.gz HADWBOMXVYWQCQ-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN CC(C)c1ccc(C#N)c(N[C@@H]2CNCc3ccsc32)n1 ZINC001155559091 805592442 /nfs/dbraw/zinc/59/24/42/805592442.db2.gz KMEZAGKCPZYRMY-CQSZACIVSA-N 0 3 298.415 3.395 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC001157775167 805868838 /nfs/dbraw/zinc/86/88/38/805868838.db2.gz NCVOKOFSBNMYLL-CQSZACIVSA-N 0 3 292.467 3.168 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cnoc1C ZINC001252121498 806008326 /nfs/dbraw/zinc/00/83/26/806008326.db2.gz GSIFSZCMBULJMD-OAHLLOKOSA-N 0 3 268.401 3.184 20 30 CGEDHN CCCCCCCC[C@H](O)CN[C@H]1CCCCC1=O ZINC001252134898 806019545 /nfs/dbraw/zinc/01/95/45/806019545.db2.gz UDQAJCWOEDGRIA-GJZGRUSLSA-N 0 3 269.429 3.199 20 30 CGEDHN C=C[C@@](C)(O)CNC(C)(C)c1ccccc1Br ZINC001252575738 806074232 /nfs/dbraw/zinc/07/42/32/806074232.db2.gz FDHDMNHUOZHVGZ-CQSZACIVSA-N 0 3 298.224 3.211 20 30 CGEDHN CCCCCCCCCC[C@H](O)CN1C[C@@H]2C[C@H]1CN2C ZINC001252982953 806147212 /nfs/dbraw/zinc/14/72/12/806147212.db2.gz OGMAANGPFRPVJV-BZSNNMDCSA-N 0 3 296.499 3.266 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1CCOC[C@@H]1C(C)C ZINC001253240403 806190576 /nfs/dbraw/zinc/19/05/76/806190576.db2.gz KPOVCBUNUZIVPW-IAGOWNOFSA-N 0 3 283.456 3.231 20 30 CGEDHN C=C[C@@H](O)CN1CCC[C@H]1c1ccccc1Br ZINC001253567353 806260930 /nfs/dbraw/zinc/26/09/30/806260930.db2.gz NBPJEEVSJMZDSW-RISCZKNCSA-N 0 3 296.208 3.133 20 30 CGEDHN CC(C)(C)C#CCNc1ncccc1CN1CCCC1 ZINC001160397299 806268344 /nfs/dbraw/zinc/26/83/44/806268344.db2.gz UWKPPEWWXXOSGK-UHFFFAOYSA-N 0 3 271.408 3.139 20 30 CGEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](CC#N)C1 ZINC001254558492 806449209 /nfs/dbraw/zinc/44/92/09/806449209.db2.gz BTBDNCNRPNQPBM-ZIAGYGMSSA-N 0 3 287.363 3.151 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cc3ccccc3cn2)C1 ZINC001254635290 806465474 /nfs/dbraw/zinc/46/54/74/806465474.db2.gz FLEAQYJGHLQFFO-IUODEOHRSA-N 0 3 251.333 3.017 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](CCO)c2cccc(Cl)c2)C1 ZINC001254644318 806470200 /nfs/dbraw/zinc/47/02/00/806470200.db2.gz RHHHSECZJYHKTK-KCPJHIHWSA-N 0 3 278.783 3.045 20 30 CGEDHN N#C[C@H]1CC[C@@H](NC2(c3ccccc3F)CCOCC2)C1 ZINC001254648383 806472931 /nfs/dbraw/zinc/47/29/31/806472931.db2.gz HQEFKXUPKYOOET-UONOGXRCSA-N 0 3 288.366 3.113 20 30 CGEDHN CC(C)(N[C@@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccn1 ZINC001254654694 806475574 /nfs/dbraw/zinc/47/55/74/806475574.db2.gz XIAXRWXWVPVCLO-ZYHUDNBSSA-N 0 3 263.772 3.252 20 30 CGEDHN CC[C@H](CC#N)NCCc1ccc(OC(C)C)cc1 ZINC001255156216 806557041 /nfs/dbraw/zinc/55/70/41/806557041.db2.gz YIYOSJCERGRCQL-OAHLLOKOSA-N 0 3 260.381 3.298 20 30 CGEDHN CC[C@H](CC#N)NCCC(C(F)(F)F)C(F)(F)F ZINC001255164071 806560828 /nfs/dbraw/zinc/56/08/28/806560828.db2.gz HIIYNQCBNJMZCM-SSDOTTSWSA-N 0 3 276.224 3.399 20 30 CGEDHN CC[C@H](CC#N)NC(C)(C)Cc1ccccc1OC ZINC001255162516 806561667 /nfs/dbraw/zinc/56/16/67/806561667.db2.gz RVMIJTRCBSUSGT-CQSZACIVSA-N 0 3 260.381 3.298 20 30 CGEDHN CC[C@H](CC#N)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001255177285 806570903 /nfs/dbraw/zinc/57/09/03/806570903.db2.gz PNAHWMQRKRGCHE-JFIYKMOQSA-N 0 3 285.435 3.273 20 30 CGEDHN N#CC1(c2ccccc2)CCN([C@@H]2CCSC2)CC1 ZINC001255281929 806592210 /nfs/dbraw/zinc/59/22/10/806592210.db2.gz HXGRFZFOALGICM-OAHLLOKOSA-N 0 3 272.417 3.049 20 30 CGEDHN C=C(C)c1ccc(-n2c3ccccc3nc2[C@@H](C)N)nc1 ZINC001162762529 806660153 /nfs/dbraw/zinc/66/01/53/806660153.db2.gz JFYUQWBLERKCCA-GFCCVEGCSA-N 0 3 278.359 3.473 20 30 CGEDHN Cc1ccc(C)c(CNCc2cccc(OCC#N)c2)c1 ZINC000113346904 798984819 /nfs/dbraw/zinc/98/48/19/798984819.db2.gz PETFEDBKOBPQHO-UHFFFAOYSA-N 0 3 280.371 3.496 20 30 CGEDHN C#CCN(Cc1nc2ccccc2nc1C)C1CCCC1 ZINC000176386577 799095216 /nfs/dbraw/zinc/09/52/16/799095216.db2.gz UQZDLJXQWDPBCO-UHFFFAOYSA-N 0 3 279.387 3.316 20 30 CGEDHN C#C[C@@](C)(CC)NCc1ccc(OC(F)F)cc1 ZINC000384155393 799413079 /nfs/dbraw/zinc/41/30/79/799413079.db2.gz IFTQOBMLAYWGDY-AWEZNQCLSA-N 0 3 253.292 3.180 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400362553 799545807 /nfs/dbraw/zinc/54/58/07/799545807.db2.gz QKTXXBSXXFSDGR-RYUDHWBXSA-N 0 3 288.819 3.117 20 30 CGEDHN C[C@H](Cc1ccccc1F)N1CCC[C@H](CC#N)C1 ZINC001255851837 806768580 /nfs/dbraw/zinc/76/85/80/806768580.db2.gz XNNLIKLKLMCTIG-ZIAGYGMSSA-N 0 3 260.356 3.382 20 30 CGEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccccc1)C(C)(C)C ZINC000702294389 799907613 /nfs/dbraw/zinc/90/76/13/799907613.db2.gz MXYDAZSLDRIBPE-OAHLLOKOSA-N 0 3 267.376 3.214 20 30 CGEDHN C#C[C@@H](NCc1cc2ccccc2[nH]c1=O)C(C)(C)C ZINC000702308078 799908475 /nfs/dbraw/zinc/90/84/75/799908475.db2.gz RJEGSYRZURDZIG-OAHLLOKOSA-N 0 3 268.360 3.078 20 30 CGEDHN CC1(C)CCC[C@H](NCc2nc(C#N)cs2)CC1 ZINC000704921499 799943505 /nfs/dbraw/zinc/94/35/05/799943505.db2.gz BKZKGXYKMDPZFQ-NSHDSACASA-N 0 3 263.410 3.463 20 30 CGEDHN C=CCC1(O)CCN(C/C=C\c2ccccc2)CC1 ZINC000717434473 800201441 /nfs/dbraw/zinc/20/14/41/800201441.db2.gz GHIMXKRCNMIIRN-TWGQIWQCSA-N 0 3 257.377 3.103 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001028115125 800831546 /nfs/dbraw/zinc/83/15/46/800831546.db2.gz XMRBMTJYBSSVSU-CQSZACIVSA-N 0 3 292.810 3.029 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCC1 ZINC001032265545 800925048 /nfs/dbraw/zinc/92/50/48/800925048.db2.gz DUELXQZEACGLAA-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1 ZINC001032736560 800935220 /nfs/dbraw/zinc/93/52/20/800935220.db2.gz STNKLRHWWIZHBE-SZMVWBNQSA-N 0 3 298.430 3.041 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033679010 800972873 /nfs/dbraw/zinc/97/28/73/800972873.db2.gz RNQQQOOQVZWCNS-WMZOPIPTSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001034141877 801008117 /nfs/dbraw/zinc/00/81/17/801008117.db2.gz LOYJPRIKIUBVJF-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034376838 801020933 /nfs/dbraw/zinc/02/09/33/801020933.db2.gz HHUBKAIMTRIBMF-KRWDZBQOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034384804 801023556 /nfs/dbraw/zinc/02/35/56/801023556.db2.gz IJYJBKYZSHIHDW-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001034389934 801025129 /nfs/dbraw/zinc/02/51/29/801025129.db2.gz AHJRLCSUMNBDSK-UONOGXRCSA-N 0 3 292.448 3.008 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC001035645124 801058794 /nfs/dbraw/zinc/05/87/94/801058794.db2.gz XZIWVZLMPQMAMJ-UHFFFAOYSA-N 0 3 298.430 3.109 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccoc2CCC)CC1 ZINC001045619130 801283140 /nfs/dbraw/zinc/28/31/40/801283140.db2.gz BGTSXRCEHNOQBI-UHFFFAOYSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049300589 801363322 /nfs/dbraw/zinc/36/33/22/801363322.db2.gz COMVUOOXHSZXND-UONOGXRCSA-N 0 3 290.432 3.003 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1C ZINC001049878634 801390148 /nfs/dbraw/zinc/39/01/48/801390148.db2.gz YZQDRXAUINQHND-MSOLQXFVSA-N 0 3 298.430 3.168 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)c2ccccc2C(C)C)CC1 ZINC001052431240 801435093 /nfs/dbraw/zinc/43/50/93/801435093.db2.gz LTQATGBQVNZPHD-INIZCTEOSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071315461 801526796 /nfs/dbraw/zinc/52/67/96/801526796.db2.gz XWQHGPLTDKFAKM-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)=C1CCC1 ZINC001085194560 801678764 /nfs/dbraw/zinc/67/87/64/801678764.db2.gz KGZCCGVAJXSQLZ-HUUCEWRRSA-N 0 3 296.842 3.256 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085550159 801692705 /nfs/dbraw/zinc/69/27/05/801692705.db2.gz MLHFFVXUZQQKSJ-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2csc(C)c2C)[C@H]1CC ZINC001087584475 801757999 /nfs/dbraw/zinc/75/79/99/801757999.db2.gz IWPZNUFKUICOMH-LSDHHAIUSA-N 0 3 292.448 3.134 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001088385068 801789488 /nfs/dbraw/zinc/78/94/88/801789488.db2.gz WUFNFLUBRTWMDS-RBSFLKMASA-N 0 3 298.858 3.146 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCCCC1 ZINC001089601989 801846771 /nfs/dbraw/zinc/84/67/71/801846771.db2.gz UWJPMPRWSUZBIQ-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccccc1)C2 ZINC001096384173 801888673 /nfs/dbraw/zinc/88/86/73/801888673.db2.gz LKFNRIQKYVLJCD-BGTYHANMSA-N 0 3 298.430 3.088 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)C(C)C ZINC001098960900 801922561 /nfs/dbraw/zinc/92/25/61/801922561.db2.gz TZZSBEVVFPGPRZ-CVEARBPZSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)CC ZINC001099038275 801926292 /nfs/dbraw/zinc/92/62/92/801926292.db2.gz DXTFMERGEXSRRO-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001099122349 801927771 /nfs/dbraw/zinc/92/77/71/801927771.db2.gz YOQRNZIKRMNJBR-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC(=C)C ZINC001099098681 801928523 /nfs/dbraw/zinc/92/85/23/801928523.db2.gz UUNZXAGRKYQVKT-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099251162 801933850 /nfs/dbraw/zinc/93/38/50/801933850.db2.gz GZZPQAOZLXKZGI-GJZGRUSLSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001109229443 802111908 /nfs/dbraw/zinc/11/19/08/802111908.db2.gz UVDBTFGCPZBZPM-FZKCQIBNSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC(C)C)CC1)C2 ZINC001110647125 802146636 /nfs/dbraw/zinc/14/66/36/802146636.db2.gz HHWSMSAMKDPBOI-OAGGEKHMSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001111190216 802157068 /nfs/dbraw/zinc/15/70/68/802157068.db2.gz UJSOMDCTGKBBEX-JJXSEGSLSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2(C)CCCC2)CC1 ZINC001112818619 802191681 /nfs/dbraw/zinc/19/16/81/802191681.db2.gz MZVXGZRLNXDPQZ-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC001113003095 802198922 /nfs/dbraw/zinc/19/89/22/802198922.db2.gz QLGBDXMJRBXHIT-IAGOWNOFSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001113230258 802208761 /nfs/dbraw/zinc/20/87/61/802208761.db2.gz ZQGSIFBBWZXMJY-HUUCEWRRSA-N 0 3 280.456 3.025 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C2=CCCC2)CCCCC1 ZINC001115478767 802264900 /nfs/dbraw/zinc/26/49/00/802264900.db2.gz CGWODBDPQZRREP-UHFFFAOYSA-N 0 3 296.842 3.258 20 30 CGEDHN CCCCCC[C@@H](CC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001170592907 807862764 /nfs/dbraw/zinc/86/27/64/807862764.db2.gz NXOGTZDSNGMFBT-KGLIPLIRSA-N 0 3 272.433 3.245 20 30 CGEDHN C=C[C@@H](COC)NCc1cccc(SCC)c1 ZINC001116654398 802392483 /nfs/dbraw/zinc/39/24/83/802392483.db2.gz ABTCWJLERAIHKV-ZDUSSCGKSA-N 0 3 251.395 3.089 20 30 CGEDHN C[C@H](CCCC#N)n1c2ccccc2nc1[C@H](C)N ZINC001172476284 808342601 /nfs/dbraw/zinc/34/26/01/808342601.db2.gz JOTBYIUNMHIZRN-NEPJUHHUSA-N 0 3 256.353 3.311 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001172491013 808350616 /nfs/dbraw/zinc/35/06/16/808350616.db2.gz BNUUNODKOSCJME-JGZYNSJSSA-N 0 3 297.446 3.400 20 30 CGEDHN C=CCN(CCc1ccco1)CCc1ccns1 ZINC001119702000 802693776 /nfs/dbraw/zinc/69/37/76/802693776.db2.gz JIHXNQLXMIRBOO-UHFFFAOYSA-N 0 3 262.378 3.009 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCC[C@@H](F)C1)c1nc2ccccc2[nH]1 ZINC001122020673 802856639 /nfs/dbraw/zinc/85/66/39/802856639.db2.gz RCNIGNHLLZWUKB-IJLUTSLNSA-N 0 3 285.322 3.267 20 30 CGEDHN CC[C@H](F)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC001122392958 802868120 /nfs/dbraw/zinc/86/81/20/802868120.db2.gz GNUOQSBZNGLAKX-RYUDHWBXSA-N 0 3 256.280 3.159 20 30 CGEDHN N#CC(C(=O)CC1CC1)c1nc2c(cccc2Cl)[nH]1 ZINC001123346610 802932901 /nfs/dbraw/zinc/93/29/01/802932901.db2.gz ORLAAPUBSHSNIT-SECBINFHSA-N 0 3 273.723 3.193 20 30 CGEDHN CC1(C)CC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123381134 802939333 /nfs/dbraw/zinc/93/93/33/802939333.db2.gz GHWGHHPJUCQCDP-ONGXEEELSA-N 0 3 278.302 3.362 20 30 CGEDHN C[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccco1 ZINC001123475299 802947753 /nfs/dbraw/zinc/94/77/53/802947753.db2.gz FFRUIDNCBWLXQB-GXSJLCMTSA-N 0 3 290.269 3.323 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCC(C)(C)C)CC[C@H]1C ZINC001132370826 803397942 /nfs/dbraw/zinc/39/79/42/803397942.db2.gz BXABPZMLYVWTSM-HUUCEWRRSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN(Cc1cnc2cccc(C)n12)C(C)(C)C ZINC001137199752 803696740 /nfs/dbraw/zinc/69/67/40/803696740.db2.gz AEIGVNAHBQNWLX-UHFFFAOYSA-N 0 3 257.381 3.429 20 30 CGEDHN C=CCCCCN(C)Cc1ccccc1C(=O)OC ZINC001137790170 803773209 /nfs/dbraw/zinc/77/32/09/803773209.db2.gz DHASPXVQIRMMGQ-UHFFFAOYSA-N 0 3 261.365 3.261 20 30 CGEDHN Cc1nccn1-c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC001138548733 803963899 /nfs/dbraw/zinc/96/38/99/803963899.db2.gz IWOMZNJRQKFXMB-UHFFFAOYSA-N 0 3 294.402 3.306 20 30 CGEDHN C=CCc1cccc(CN2CCc3cnccc3C2)c1O ZINC001138625789 803983301 /nfs/dbraw/zinc/98/33/01/803983301.db2.gz SVFOIRXVJPDKSW-UHFFFAOYSA-N 0 3 280.371 3.074 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC001138628564 803985254 /nfs/dbraw/zinc/98/52/54/803985254.db2.gz XHAOUCNZBCVBRP-OAHLLOKOSA-N 0 3 279.330 3.352 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC001138628564 803985256 /nfs/dbraw/zinc/98/52/56/803985256.db2.gz XHAOUCNZBCVBRP-OAHLLOKOSA-N 0 3 279.330 3.352 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1[O-] ZINC001138630225 803985563 /nfs/dbraw/zinc/98/55/63/803985563.db2.gz SFFFCULKHBKXSV-KKUMJFAQSA-N 0 3 261.340 3.053 20 30 CGEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1[O-] ZINC001138630225 803985568 /nfs/dbraw/zinc/98/55/68/803985568.db2.gz SFFFCULKHBKXSV-KKUMJFAQSA-N 0 3 261.340 3.053 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(COCC)CC2)c1[O-] ZINC001138628179 803986062 /nfs/dbraw/zinc/98/60/62/803986062.db2.gz QBBNPONBEGLQSW-UHFFFAOYSA-N 0 3 289.419 3.369 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)Cc2cccnc2C)c1[O-] ZINC001138630482 803986623 /nfs/dbraw/zinc/98/66/23/803986623.db2.gz XPUVHSSZZUHJMA-UHFFFAOYSA-N 0 3 282.387 3.456 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)Cc2cccnc2C)c1[O-] ZINC001138630482 803986628 /nfs/dbraw/zinc/98/66/28/803986628.db2.gz XPUVHSSZZUHJMA-UHFFFAOYSA-N 0 3 282.387 3.456 20 30 CGEDHN C=CCc1cccc(CN(C)Cc2cccnc2C)c1O ZINC001138630482 803986633 /nfs/dbraw/zinc/98/66/33/803986633.db2.gz XPUVHSSZZUHJMA-UHFFFAOYSA-N 0 3 282.387 3.456 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@H]2OCC[C@@H]2C1 ZINC001138664930 803997011 /nfs/dbraw/zinc/99/70/11/803997011.db2.gz AUYGBQOTDFTARS-SJLPKXTDSA-N 0 3 287.403 3.252 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716813 804013380 /nfs/dbraw/zinc/01/33/80/804013380.db2.gz ZFDMYSFRTXITED-CQSZACIVSA-N 0 3 270.376 3.137 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](C#N)CC1 ZINC001139029769 804113966 /nfs/dbraw/zinc/11/39/66/804113966.db2.gz MLTXQIRHVMWAMM-HNNXBMFYSA-N 0 3 270.376 3.377 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2nsnc2c1 ZINC001139212465 804165804 /nfs/dbraw/zinc/16/58/04/804165804.db2.gz DSYFIAQTAQJDKT-UHFFFAOYSA-N 0 3 294.383 3.195 20 30 CGEDHN Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C#N ZINC001139726450 804267421 /nfs/dbraw/zinc/26/74/21/804267421.db2.gz OJEKHXVVHCZYQK-XGBSXSJOSA-N 0 3 265.360 3.133 20 30 CGEDHN SC1CCN(Cc2cc3ccccc3cn2)CC1 ZINC001139998701 804347903 /nfs/dbraw/zinc/34/79/03/804347903.db2.gz AUPPGBMNUXHSLI-UHFFFAOYSA-N 0 3 258.390 3.129 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H]4CCCO[C@@H]4C3)c2c1 ZINC001140110785 804378687 /nfs/dbraw/zinc/37/86/87/804378687.db2.gz STYJUIKFMAOLDM-RDTXWAMCSA-N 0 3 295.386 3.040 20 30 CGEDHN CN(Cc1c[nH]c2ccc(C#N)cc12)C1CC(F)(F)C1 ZINC001140112056 804379259 /nfs/dbraw/zinc/37/92/59/804379259.db2.gz QBQMEWJDAAJFEG-UHFFFAOYSA-N 0 3 275.302 3.269 20 30 CGEDHN C[C@H]1C[C@H]2CN(Cc3c[nH]c4ccc(C#N)cc34)CC[C@H]2O1 ZINC001140113009 804381322 /nfs/dbraw/zinc/38/13/22/804381322.db2.gz PWDHTYNDXBHQML-XAYKYTGQSA-N 0 3 295.386 3.039 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)cn1 ZINC001140543159 804458176 /nfs/dbraw/zinc/45/81/76/804458176.db2.gz LEESCSMCDPXGGI-KRWDZBQOSA-N 0 3 291.398 3.408 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)ccc1Cl ZINC001141232858 804618285 /nfs/dbraw/zinc/61/82/85/804618285.db2.gz LYPJJXKIBWPHIV-AWEZNQCLSA-N 0 3 293.819 3.423 20 30 CGEDHN CN(CCc1ccccc1Cl)Cc1cncc(C#N)c1 ZINC001144079581 804933671 /nfs/dbraw/zinc/93/36/71/804933671.db2.gz VDCNJKHBAGGEAC-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN Cc1noc2ccc(CN3CCC(CC#N)CC3)cc12 ZINC001248703007 804970430 /nfs/dbraw/zinc/97/04/30/804970430.db2.gz VGUGVCOZHNBWNB-UHFFFAOYSA-N 0 3 269.348 3.262 20 30 CGEDHN Cc1noc2ccc(CN3CCC[C@@H](C#N)CC3)cc12 ZINC001248706590 804971443 /nfs/dbraw/zinc/97/14/43/804971443.db2.gz ZRABNINNAOZVSA-CYBMUJFWSA-N 0 3 269.348 3.262 20 30 CGEDHN CC(C)(C)c1c[nH]c(CN2CCC(S)CC2)c1 ZINC001249479001 805157570 /nfs/dbraw/zinc/15/75/70/805157570.db2.gz KRHZTZPDMGFRGH-UHFFFAOYSA-N 0 3 252.427 3.206 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](CC)CCCC ZINC001154368610 805452784 /nfs/dbraw/zinc/45/27/84/805452784.db2.gz XZNXZPICXQKGTL-HZPDHXFCSA-N 0 3 280.456 3.053 20 30 CGEDHN N#CC1CCC(N[C@H](CO)c2cccc(Cl)c2F)CC1 ZINC001256963317 807017311 /nfs/dbraw/zinc/01/73/11/807017311.db2.gz GGUCRJLYJSGFHB-QIMFLAQGSA-N 0 3 296.773 3.184 20 30 CGEDHN CCC[C@@H](C)CC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001257485484 807181037 /nfs/dbraw/zinc/18/10/37/807181037.db2.gz MWODQJJWVZMBQD-CABCVRRESA-N 0 3 294.439 3.370 20 30 CGEDHN C[C@@H](CC#N)N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257578883 807201262 /nfs/dbraw/zinc/20/12/62/807201262.db2.gz JPXJIWNVEYCXCL-FQUUOJAGSA-N 0 3 295.427 3.055 20 30 CGEDHN C=CCOCc1cccc(-n2nc(CN)c3ccccc32)c1 ZINC001167701090 807228948 /nfs/dbraw/zinc/22/89/48/807228948.db2.gz LMJBHJLRNOFJQR-UHFFFAOYSA-N 0 3 293.370 3.187 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(c2cncnc2)CC1 ZINC001258049747 807275072 /nfs/dbraw/zinc/27/50/72/807275072.db2.gz OBXOHZQEZWSECE-MRXNPFEDSA-N 0 3 290.455 3.348 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)N1CCC(C)(C#N)CC1 ZINC001168498165 807436064 /nfs/dbraw/zinc/43/60/64/807436064.db2.gz QWFHTTPZJPFICM-CYBMUJFWSA-N 0 3 260.356 3.382 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001258733712 807579434 /nfs/dbraw/zinc/57/94/34/807579434.db2.gz MDORXFYZUIOKQO-KKUMJFAQSA-N 0 3 294.439 3.425 20 30 CGEDHN CC1(C)CC(NCC2(C#N)CCCC2)CC(C)(C)N1O ZINC001169968340 807731342 /nfs/dbraw/zinc/73/13/42/807731342.db2.gz YXAINVKJBODFDT-UHFFFAOYSA-N 0 3 279.428 3.071 20 30 CGEDHN C[C@@H](N)c1ccn(C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001170369676 807830804 /nfs/dbraw/zinc/83/08/04/807830804.db2.gz YYFKKAJVMJYGQV-MXWWQKGMSA-N 0 3 294.402 3.479 20 30 CGEDHN CCNc1ccccc1CNCc1cccc(OCC#N)c1 ZINC001262483129 807866869 /nfs/dbraw/zinc/86/68/69/807866869.db2.gz WWUYNQCGMKOMED-UHFFFAOYSA-N 0 3 295.386 3.311 20 30 CGEDHN CC[C@@H](CC#N)NCC1([C@@H]2CCCCO2)CCC1 ZINC001170948384 807942191 /nfs/dbraw/zinc/94/21/91/807942191.db2.gz HXNNCONJKOYDQU-KBPBESRZSA-N 0 3 250.386 3.008 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC12CC2)c1nc2c(cccc2Cl)[nH]1 ZINC001263619872 807979749 /nfs/dbraw/zinc/97/97/49/807979749.db2.gz FYCNSMGTFSFJCS-BDAKNGLRSA-N 0 3 285.734 3.193 20 30 CGEDHN C=C[C@H](CC)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001263663503 807990858 /nfs/dbraw/zinc/99/08/58/807990858.db2.gz FVMRYOOYFDNMMT-MWLCHTKSSA-N 0 3 264.275 3.138 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@H](C(F)(F)F)C1 ZINC001171221664 808012421 /nfs/dbraw/zinc/01/24/21/808012421.db2.gz RPKMAOGDZKIGNQ-SMDDNHRTSA-N 0 3 282.309 3.373 20 30 CGEDHN C#C[C@H]1CCCN([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171387437 808042322 /nfs/dbraw/zinc/04/23/22/808042322.db2.gz HIVCMGKRQBMVGE-SWLSCSKDSA-N 0 3 275.342 3.167 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CCCC2CCCC2)[C@H]1C ZINC001264176948 808043391 /nfs/dbraw/zinc/04/33/91/808043391.db2.gz UQNKOMQNHIMQAS-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN Cc1cccc2c1CC[C@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001171553061 808093403 /nfs/dbraw/zinc/09/34/03/808093403.db2.gz LEGFHWXLPXTUHW-AWEZNQCLSA-N 0 3 299.805 3.306 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001265705962 808172391 /nfs/dbraw/zinc/17/23/91/808172391.db2.gz PDRMTZRAFSDBOG-IKQZUGGXSA-N 0 3 298.858 3.312 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CC2(C1)C[C@H](F)CS2 ZINC001172310931 808223043 /nfs/dbraw/zinc/22/30/43/808223043.db2.gz LUEIFLRJRFKJPE-WFASDCNBSA-N 0 3 290.407 3.019 20 30 CGEDHN CCCCCCC[C@H](CC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172347140 808245670 /nfs/dbraw/zinc/24/56/70/808245670.db2.gz RZWRZFGIFGOZTL-GJZGRUSLSA-N 0 3 281.444 3.227 20 30 CGEDHN CCCCCCC[C@H](CC)N1CCOC[C@H]1COC ZINC001172362372 808257094 /nfs/dbraw/zinc/25/70/94/808257094.db2.gz WQOXOUDZMQGHAC-JKSUJKDBSA-N 0 3 271.445 3.473 20 30 CGEDHN CCCCCCCN1CCC[C@@H]1CNC(=O)C(C)(F)F ZINC001266443747 808266261 /nfs/dbraw/zinc/26/62/61/808266261.db2.gz RZTQPDQJFWYVOA-CYBMUJFWSA-N 0 3 290.398 3.193 20 30 CGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001266480938 808273674 /nfs/dbraw/zinc/27/36/74/808273674.db2.gz BPEGWTSBDJJUHE-LMKWDOLGSA-N 0 3 290.451 3.374 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCC ZINC001266496658 808277340 /nfs/dbraw/zinc/27/73/40/808277340.db2.gz VDINMZXLVOBHSU-YESZJQIVSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001266605452 808295173 /nfs/dbraw/zinc/29/51/73/808295173.db2.gz JFZUNPUKGUUNJF-HDJSIYSDSA-N 0 3 298.858 3.336 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCN1CC(=C)C ZINC001266853539 808324425 /nfs/dbraw/zinc/32/44/25/808324425.db2.gz NPXDNUCWUZWSLK-CVEARBPZSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCCC[C@H]2CNC[C@@H](F)CC)C1 ZINC001266877058 808328615 /nfs/dbraw/zinc/32/86/15/808328615.db2.gz BIGRRDVODPKOQM-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C[C@@H](CCCC#N)n1nc(-c2ccccc2)cc1CN ZINC001172479198 808342842 /nfs/dbraw/zinc/34/28/42/808342842.db2.gz KKAJYKFEIMEJII-ZDUSSCGKSA-N 0 3 268.364 3.264 20 30 CGEDHN C[C@H](CCCC#N)NCc1c(F)cc(F)cc1F ZINC001172483763 808346133 /nfs/dbraw/zinc/34/61/33/808346133.db2.gz TZAFGVZWXVSEDF-SECBINFHSA-N 0 3 256.271 3.276 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)C[C@H](C)CCCCCC)C1 ZINC001267023007 808348246 /nfs/dbraw/zinc/34/82/46/808348246.db2.gz PNXXZGQLOURDBJ-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN C[C@H](CCCC#N)NCc1ccn(Cc2ccccc2)n1 ZINC001172488391 808348692 /nfs/dbraw/zinc/34/86/92/808348692.db2.gz MRBAPRSILBJVNM-OAHLLOKOSA-N 0 3 282.391 3.103 20 30 CGEDHN COc1cc(C[NH2+][C@@H](C)CCCC#N)cc(Cl)c1[O-] ZINC001172489445 808349656 /nfs/dbraw/zinc/34/96/56/808349656.db2.gz RZOMEOZMEUOQOG-JTQLQIEISA-N 0 3 282.771 3.226 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)C1(C2CC2)CC1)c1ccccc1 ZINC001267519997 808438383 /nfs/dbraw/zinc/43/83/83/808438383.db2.gz IEQLNIVMOGYYEN-KRWDZBQOSA-N 0 3 298.430 3.200 20 30 CGEDHN C=CCOC1CCC(n2nc(CN)c3ccccc32)CC1 ZINC001173313492 808607750 /nfs/dbraw/zinc/60/77/50/808607750.db2.gz YODHGMGYOJDAJF-UHFFFAOYSA-N 0 3 285.391 3.181 20 30 CGEDHN CC1(C#N)CCC(N2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001173594033 808649603 /nfs/dbraw/zinc/64/96/03/808649603.db2.gz POGLTDQDSFQHTA-FKZOYECMSA-N 0 3 256.340 3.231 20 30 CGEDHN C#CCCCCC(=O)NC[C@@H]1CCN1CCCC(C)(C)C ZINC001269224018 808657638 /nfs/dbraw/zinc/65/76/38/808657638.db2.gz TWYQHNBTRIXOHX-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN CCCCN(CCC#N)[C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173642994 808658544 /nfs/dbraw/zinc/65/85/44/808658544.db2.gz GBPPCRRMFHAUKP-LSDHHAIUSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1ccccc1Cl ZINC001270915273 808753277 /nfs/dbraw/zinc/75/32/77/808753277.db2.gz VVAXGDAJPPRLTC-CYBMUJFWSA-N 0 3 294.826 3.243 20 30 CGEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)s1 ZINC001173929054 808768682 /nfs/dbraw/zinc/76/86/82/808768682.db2.gz UAKGFMINVFWFSY-UHFFFAOYSA-N 0 3 257.362 3.425 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001272513170 808814802 /nfs/dbraw/zinc/81/48/02/808814802.db2.gz OMHRAOFRRRIAJU-AWEZNQCLSA-N 0 3 298.858 3.147 20 30 CGEDHN C=CCCCN1Cc2ccc(CNC(=O)CCC)cc2C1 ZINC001274021540 808866610 /nfs/dbraw/zinc/86/66/10/808866610.db2.gz YDEXOUCHRPFTTN-UHFFFAOYSA-N 0 3 286.419 3.385 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1c2ccccc2CCN1CCC=C ZINC001274847522 808890747 /nfs/dbraw/zinc/89/07/47/808890747.db2.gz PGFWPYGPHMWLOK-GOSISDBHSA-N 0 3 298.430 3.244 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccoc1CCC ZINC001276956823 809049942 /nfs/dbraw/zinc/04/99/42/809049942.db2.gz OGEZMSXIZREEHF-AWEZNQCLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001278501749 809137786 /nfs/dbraw/zinc/13/77/86/809137786.db2.gz YKRNUKNIAZNPGX-NVXWUHKLSA-N 0 3 286.419 3.122 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CC(C)C ZINC001279585788 809175693 /nfs/dbraw/zinc/17/56/93/809175693.db2.gz DDGHGUZGOHURNF-GVDBMIGSSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1(C)CC1 ZINC001281906100 809222183 /nfs/dbraw/zinc/22/21/83/809222183.db2.gz RUCRWSFXYSYEMX-SJLPKXTDSA-N 0 3 298.430 3.125 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)CC(C)(C)C ZINC001176758911 809759143 /nfs/dbraw/zinc/75/91/43/809759143.db2.gz SRMQMWGUXOMRFU-UHFFFAOYSA-N 0 3 288.863 3.297 20 30 CGEDHN C=CCC1(C(=O)NCCCNCC(=C)Cl)CCCCC1 ZINC001176785636 809761213 /nfs/dbraw/zinc/76/12/13/809761213.db2.gz LGNIJJGBIUFWTI-UHFFFAOYSA-N 0 3 298.858 3.361 20 30 CGEDHN C=C[C@H](C)NCc1cnc2c(C)cc(Br)cn12 ZINC001178165635 809849859 /nfs/dbraw/zinc/84/98/59/809849859.db2.gz CDWONHALDGGQTH-JTQLQIEISA-N 0 3 294.196 3.069 20 30 CGEDHN C=C[C@H](COC)NC/C=C\c1cc(C)c(C)cc1C ZINC001178537348 809874113 /nfs/dbraw/zinc/87/41/13/809874113.db2.gz NCMQRNFEUMPBGC-ZPUOCTKUSA-N 0 3 259.393 3.416 20 30 CGEDHN C#Cc1cccc(CNCc2ccccc2NCC)c1 ZINC001178950366 809895993 /nfs/dbraw/zinc/89/59/93/809895993.db2.gz NLYCRWVEHZCTPD-UHFFFAOYSA-N 0 3 264.372 3.390 20 30 CGEDHN CN(C)[C@H](CNc1cc(F)ccc1C#N)c1ccsc1 ZINC001184767673 810218597 /nfs/dbraw/zinc/21/85/97/810218597.db2.gz RSIJMBSDUVJLIT-OAHLLOKOSA-N 0 3 289.379 3.474 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001185958860 810305839 /nfs/dbraw/zinc/30/58/39/810305839.db2.gz CXDHNSBRZIFTMF-CQSZACIVSA-N 0 3 292.448 3.041 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)CCC(C)(C)C)[C@@H]2C1 ZINC001189810944 810591053 /nfs/dbraw/zinc/59/10/53/810591053.db2.gz ODJMTMVSUIXNLD-OWCLPIDISA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](CCCC)C(C)C)[C@@H]2C1 ZINC001190378139 810626008 /nfs/dbraw/zinc/62/60/08/810626008.db2.gz SUHPBCCSDKAIDU-YESZJQIVSA-N 0 3 292.467 3.168 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001193366027 810877980 /nfs/dbraw/zinc/87/79/80/810877980.db2.gz WXEMQXWTFHCQQH-UHFFFAOYSA-N 0 3 287.403 3.486 20 30 CGEDHN C=CCOC(=O)Nc1ccccc1CN1CCCC1 ZINC001194318676 811049664 /nfs/dbraw/zinc/04/96/64/811049664.db2.gz HZWDXANABWALOC-UHFFFAOYSA-N 0 3 260.337 3.017 20 30 CGEDHN C=CC[C@H](C(=O)OC)N(C)C[C@@H](C)C1CCCCC1 ZINC001196817897 811370991 /nfs/dbraw/zinc/37/09/91/811370991.db2.gz CSVWGVIYJPTPRR-UKRRQHHQSA-N 0 3 267.413 3.252 20 30 CGEDHN C#CCCN1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001197802728 811453247 /nfs/dbraw/zinc/45/32/47/811453247.db2.gz SUVIPRBCMISUCP-MRXNPFEDSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCCCN(CC)Cc1cn2c(cccc2C)n1 ZINC001198457551 811505416 /nfs/dbraw/zinc/50/54/16/811505416.db2.gz CBCXVFRQMZBGTA-UHFFFAOYSA-N 0 3 257.381 3.431 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203731937 812444766 /nfs/dbraw/zinc/44/47/66/812444766.db2.gz OCKSGBQADYMJQX-HNNXBMFYSA-N 0 3 273.401 3.078 20 30 CGEDHN C#C[C@H](NCc1cc(OC)cc(C(F)(F)F)c1)C(C)C ZINC001205714034 813058841 /nfs/dbraw/zinc/05/88/41/813058841.db2.gz PRYGEGBXHJQDJD-AWEZNQCLSA-N 0 3 285.309 3.461 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001206691674 813399314 /nfs/dbraw/zinc/39/93/14/813399314.db2.gz MZNODPPGPONREE-DYEKYZERSA-N 0 3 258.340 3.223 20 30 CGEDHN N#CCC1CN(C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207178525 813506124 /nfs/dbraw/zinc/50/61/24/813506124.db2.gz VNDNYUGUHUMCTC-ZFWWWQNUSA-N 0 3 260.768 3.289 20 30 CGEDHN CC(C)(O)CCCC1=CC[C@H](CN2CC[C@@H](C#N)C2)CC1 ZINC001207413869 813560484 /nfs/dbraw/zinc/56/04/84/813560484.db2.gz STQKMFXGKGDTEM-IRXDYDNUSA-N 0 3 290.451 3.500 20 30 CGEDHN COc1cccc(CCN2CCc3cc(C#N)ccc3C2)c1 ZINC001207429403 813563726 /nfs/dbraw/zinc/56/37/26/813563726.db2.gz SGCXCZKOYKBQAB-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN C[C@@H](CCCC(C)(C)O)CCN1CC[C@](C)(C#N)C1 ZINC001207683204 813635330 /nfs/dbraw/zinc/63/53/30/813635330.db2.gz NLFWXMFKZMYRGR-GOEBONIOSA-N 0 3 266.429 3.189 20 30 CGEDHN CC1(CN(CCC#N)C2CCCCCCC2)COC1 ZINC001207794473 813652766 /nfs/dbraw/zinc/65/27/66/813652766.db2.gz HXVNZQNJIZIXAC-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN(C)CCc2noc(C)n2)CC1 ZINC001208171704 813726240 /nfs/dbraw/zinc/72/62/40/813726240.db2.gz XOCOLYHJZSLLCP-OAHLLOKOSA-N 0 3 275.396 3.155 20 30 CGEDHN COC(=O)[C@@H](C)CN(CCC#N)C1CCCCCCC1 ZINC001208719119 813812378 /nfs/dbraw/zinc/81/23/78/813812378.db2.gz PHLCTDWWLWFQGJ-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN Cc1cnc2c(c1)CN(CCCc1cccc(C#N)c1)CC2 ZINC001208854491 813866327 /nfs/dbraw/zinc/86/63/27/813866327.db2.gz OZMXEYUCJAPFQA-UHFFFAOYSA-N 0 3 291.398 3.253 20 30 CGEDHN C#C[C@H]1CCCN(CCc2ccc(F)cc2Cl)C1 ZINC001209114880 813938377 /nfs/dbraw/zinc/93/83/77/813938377.db2.gz WFXVXIFWMWCZLW-LBPRGKRZSA-N 0 3 265.759 3.367 20 30 CGEDHN C=CCCCN1CCN(c2ccc(F)c(F)c2)CC1 ZINC001209157471 813950116 /nfs/dbraw/zinc/95/01/16/813950116.db2.gz WJCZTWSSFFJUSO-UHFFFAOYSA-N 0 3 266.335 3.053 20 30 CGEDHN C=CCCCCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC001209431849 814031980 /nfs/dbraw/zinc/03/19/80/814031980.db2.gz UZBUKXKLGVNSCR-LBPRGKRZSA-N 0 3 265.319 3.122 20 30 CGEDHN C=CCCCCCN1CCN(c2ccccc2C#N)CC1 ZINC001209423590 814026263 /nfs/dbraw/zinc/02/62/63/814026263.db2.gz TUUJKMXKEAOWDM-UHFFFAOYSA-N 0 3 283.419 3.427 20 30 CGEDHN C=C1CCC(C(=O)N2CCC[C@@H](NC[C@H](F)CC)C2)CC1 ZINC001209465507 814050759 /nfs/dbraw/zinc/05/07/59/814050759.db2.gz RDTMFXKBHBDINW-HZPDHXFCSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001210112550 814295923 /nfs/dbraw/zinc/29/59/23/814295923.db2.gz XIWFAHXWOPAYLU-OWCLPIDISA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001210620849 814560425 /nfs/dbraw/zinc/56/04/25/814560425.db2.gz YJTKDRCJKSSKJN-RBSFLKMASA-N 0 3 280.456 3.071 20 30 CGEDHN N#C[C@@H]1CNC[C@H]1OCc1ccc(Oc2ccccc2)cc1 ZINC001217832388 815972831 /nfs/dbraw/zinc/97/28/31/815972831.db2.gz OFQJICKAWGTMDD-CRAIPNDOSA-N 0 3 294.354 3.107 20 30 CGEDHN N#C[C@@H]1CNC[C@@H]1OCc1ccccc1Oc1ccccc1 ZINC001217832064 815972930 /nfs/dbraw/zinc/97/29/30/815972930.db2.gz MLURVMZBRUMPIG-QAPCUYQASA-N 0 3 294.354 3.107 20 30 CGEDHN CCCCCCCCCCO[C@H]1CNC[C@@H]1C#N ZINC001217909212 815998615 /nfs/dbraw/zinc/99/86/15/815998615.db2.gz GFVQEYNKYLDGIG-GJZGRUSLSA-N 0 3 252.402 3.255 20 30 CGEDHN N#Cc1cccc(-c2ccc(O[C@@H]3CCNC[C@H]3F)cc2)c1 ZINC001218069554 816086019 /nfs/dbraw/zinc/08/60/19/816086019.db2.gz JBFNXVKNZOWQLQ-QZTJIDSGSA-N 0 3 296.345 3.304 20 30 CGEDHN Cc1cc(C#N)ccc1O[C@H]1CNCc2ccccc21 ZINC001218488157 816244197 /nfs/dbraw/zinc/24/41/97/816244197.db2.gz JPOAISHFALUIKE-KRWDZBQOSA-N 0 3 264.328 3.090 20 30 CGEDHN C=CCc1ccc(O)c(O[C@H]2CNCc3ccccc32)c1 ZINC001218490134 816245265 /nfs/dbraw/zinc/24/52/65/816245265.db2.gz RPWNWXWYTYOJGG-SFHVURJKSA-N 0 3 281.355 3.344 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cnc2ccccc2n1 ZINC001218653067 816250239 /nfs/dbraw/zinc/25/02/39/816250239.db2.gz NHXAOLSYGIQQHQ-ZDUSSCGKSA-N 0 3 298.390 3.032 20 30 CGEDHN C#CCN1CCC(CNC(=O)CCCCCCCC)CC1 ZINC001225237620 816975118 /nfs/dbraw/zinc/97/51/18/816975118.db2.gz GYVKRNOZTSXNSV-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN COc1cccc2[nH]cc(CN3CCC[C@H](CC#N)C3)c21 ZINC001232037462 818236919 /nfs/dbraw/zinc/23/69/19/818236919.db2.gz WUSUXTWIJJWKOK-CYBMUJFWSA-N 0 3 283.375 3.302 20 30 CGEDHN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)c(Cl)c1 ZINC001232116661 818260015 /nfs/dbraw/zinc/26/00/15/818260015.db2.gz ONCFDDJXEPURPR-YIONKMFJSA-N 0 3 290.794 3.353 20 30 CGEDHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100545 818521235 /nfs/dbraw/zinc/52/12/35/818521235.db2.gz JPENXQZJTZNMDR-QWHCGFSZSA-N 0 3 289.398 3.384 20 30 CGEDHN C=CCN(Cc1cc(F)c(F)cc1N)C(C)(C)C ZINC001233381984 818604921 /nfs/dbraw/zinc/60/49/21/818604921.db2.gz ATJLUBCEIJTXDB-UHFFFAOYSA-N 0 3 254.324 3.334 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233539228 818636126 /nfs/dbraw/zinc/63/61/26/818636126.db2.gz NNYAQCIYTVSTPI-OFLPRAFFSA-N 0 3 292.467 3.312 20 30 CGEDHN N#CCc1ccccc1CN1CCC[C@@H]1c1cccnc1 ZINC001235510565 819112054 /nfs/dbraw/zinc/11/20/54/819112054.db2.gz CDBRIYGHITUREV-GOSISDBHSA-N 0 3 277.371 3.485 20 30 CGEDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1CC#N ZINC001235524883 819114043 /nfs/dbraw/zinc/11/40/43/819114043.db2.gz BSMWXCJVSUBMRL-UHFFFAOYSA-N 0 3 266.344 3.090 20 30 CGEDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1CC#N ZINC001235524883 819114045 /nfs/dbraw/zinc/11/40/45/819114045.db2.gz BSMWXCJVSUBMRL-UHFFFAOYSA-N 0 3 266.344 3.090 20 30 CGEDHN N#CCc1ccccc1CN1CCC[C@@H]1c1ccccn1 ZINC001235522231 819114787 /nfs/dbraw/zinc/11/47/87/819114787.db2.gz BAARXRMLZYQWDR-GOSISDBHSA-N 0 3 277.371 3.485 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCc3cc(N)ccc3C2)c1[O-] ZINC001236105865 819322345 /nfs/dbraw/zinc/32/23/45/819322345.db2.gz URXWULNKDPMFJH-UHFFFAOYSA-N 0 3 294.398 3.261 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCc3cc(N)ccc3C2)c1[O-] ZINC001236105865 819322351 /nfs/dbraw/zinc/32/23/51/819322351.db2.gz URXWULNKDPMFJH-UHFFFAOYSA-N 0 3 294.398 3.261 20 30 CGEDHN N#Cc1nccnc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236233761 819394368 /nfs/dbraw/zinc/39/43/68/819394368.db2.gz OTJROSCMKFLGFO-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C#C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237048940 819652184 /nfs/dbraw/zinc/65/21/84/819652184.db2.gz KAZVVBSKRXPSSH-CQSZACIVSA-N 0 3 257.377 3.361 20 30 CGEDHN C#C[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237048940 819652188 /nfs/dbraw/zinc/65/21/88/819652188.db2.gz KAZVVBSKRXPSSH-CQSZACIVSA-N 0 3 257.377 3.361 20 30 CGEDHN COc1ccc(C)c(CN2CCC(C)(C#N)CC2)c1 ZINC001237712164 819817593 /nfs/dbraw/zinc/81/75/93/819817593.db2.gz ZXZMYLDUEIKTCG-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN COc1cc(CN2C[C@H]3[C@H](CCC3(F)F)C2)ccc1C#N ZINC001238409662 819987623 /nfs/dbraw/zinc/98/76/23/819987623.db2.gz JFZOQLKWXIPIEL-KGLIPLIRSA-N 0 3 292.329 3.044 20 30 CGEDHN CCCCN1CCN(Cc2ccc(C#N)c(CC)c2)CC1 ZINC001238776017 820114274 /nfs/dbraw/zinc/11/42/74/820114274.db2.gz ROYGQWFVIKQDPR-UHFFFAOYSA-N 0 3 285.435 3.038 20 30 CGEDHN N#Cc1ncc(-c2ccc(CN3CCCC3)c(F)c2)cc1F ZINC001238993197 820186725 /nfs/dbraw/zinc/18/67/25/820186725.db2.gz PSEDQFXMBJVSQP-UHFFFAOYSA-N 0 3 299.324 3.494 20 30 CGEDHN N#CCc1ccncc1C1=CCCN(Cc2ccccc2)C1 ZINC001240386456 821012113 /nfs/dbraw/zinc/01/21/13/821012113.db2.gz CSWSIRWHJSUMPG-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN N#Cc1cc(-c2cncc(CN3CCCCC3)c2)ccn1 ZINC001241195529 821630860 /nfs/dbraw/zinc/63/08/60/821630860.db2.gz HQNPMMNAIRGSLS-UHFFFAOYSA-N 0 3 278.359 3.001 20 30 CGEDHN COCCN(C)Cc1ccnc(-c2cc(C#N)ccc2C)c1 ZINC001242544372 823025966 /nfs/dbraw/zinc/02/59/66/823025966.db2.gz YJYYYBBNPMGGQR-UHFFFAOYSA-N 0 3 295.386 3.007 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001341609383 936444393 /nfs/dbraw/zinc/44/43/93/936444393.db2.gz JLZHBDAAYYHLFQ-XIRDDKMYSA-N 0 3 286.419 3.280 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)c1cc2c(s1)CNCC2 ZINC001342341772 936465467 /nfs/dbraw/zinc/46/54/67/936465467.db2.gz ZJDBTTYAXNMNSW-UHFFFAOYSA-N 0 3 292.448 3.116 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(CC(C)C)CCC1 ZINC001344325780 936529713 /nfs/dbraw/zinc/52/97/13/936529713.db2.gz LKLXQWBGVYXSLY-CYBMUJFWSA-N 0 3 273.380 3.296 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)C(F)(F)F ZINC001345622187 936817812 /nfs/dbraw/zinc/81/78/12/936817812.db2.gz VBYDOZSYPXUHER-SVRRBLITSA-N 0 3 292.207 3.125 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCCc1ccccc1 ZINC001346095936 936837775 /nfs/dbraw/zinc/83/77/75/936837775.db2.gz LQWGJXMTZBXJSD-MRXNPFEDSA-N 0 3 295.386 3.492 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001347338821 936879952 /nfs/dbraw/zinc/87/99/52/936879952.db2.gz VQJNFGQIUAMSDY-STQMWFEESA-N 0 3 271.364 3.050 20 30 CGEDHN C=C[C@H](C(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC001348516222 936924415 /nfs/dbraw/zinc/92/44/15/936924415.db2.gz BQQOHQFYLZNGIU-MSOLQXFVSA-N 0 3 298.430 3.089 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3cccnc3)C2)s1 ZINC001349646687 936955347 /nfs/dbraw/zinc/95/53/47/936955347.db2.gz NGKKIPAEZADBNV-AWEZNQCLSA-N 0 3 283.400 3.394 20 30 CGEDHN C=CCN1CCC(Nc2ccc(C#N)cc2Cl)CC1 ZINC001351975010 937030377 /nfs/dbraw/zinc/03/03/77/937030377.db2.gz GLJSCMHPTATYBP-UHFFFAOYSA-N 0 3 275.783 3.274 20 30 CGEDHN C=CCCC[C@H](NC(=O)[C@@H](N)CC(F)F)c1ccccc1 ZINC001353146559 937058568 /nfs/dbraw/zinc/05/85/68/937058568.db2.gz PGYBOUSBOQIJTO-KBPBESRZSA-N 0 3 296.361 3.183 20 30 CGEDHN CC(C)c1ccc(CCN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC001353605918 937071971 /nfs/dbraw/zinc/07/19/71/937071971.db2.gz MQWMYSUPDXYGOR-IAGOWNOFSA-N 0 3 299.462 3.271 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NC[C@]1(C)CC1(F)F ZINC001354274556 937097225 /nfs/dbraw/zinc/09/72/25/937097225.db2.gz VULLTTSSGSLBLL-JSGCOSHPSA-N 0 3 290.398 3.226 20 30 CGEDHN C=CCCC(=O)NCCN(CC)Cc1ccc2cc[nH]c2c1 ZINC001480964217 926848792 /nfs/dbraw/zinc/84/87/92/926848792.db2.gz NVZOWWAARPIAKP-UHFFFAOYSA-N 0 3 299.418 3.072 20 30 CGEDHN COc1ccc(CNCc2cccc(OCC#N)c2)c(C)c1 ZINC001355204118 937129235 /nfs/dbraw/zinc/12/92/35/937129235.db2.gz IDPDTAHPHHZVTM-UHFFFAOYSA-N 0 3 296.370 3.196 20 30 CGEDHN C=CC[C@@H](C(=O)N[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001481696365 927063309 /nfs/dbraw/zinc/06/33/09/927063309.db2.gz FRVIXXPHDUFITR-ZWKOTPCHSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)CCC(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001482599888 927319081 /nfs/dbraw/zinc/31/90/81/927319081.db2.gz HYGMAQUIZKREFW-UHFFFAOYSA-N 0 3 278.440 3.233 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(F)ccc1Cl ZINC001482630087 927333087 /nfs/dbraw/zinc/33/30/87/927333087.db2.gz BWIGILCGCPZRDM-UHFFFAOYSA-N 0 3 298.789 3.059 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)C1CCCC1 ZINC001483621134 927533431 /nfs/dbraw/zinc/53/34/31/927533431.db2.gz FQFWYDCAUWRBSI-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C)s2)C1 ZINC001484150570 927682788 /nfs/dbraw/zinc/68/27/88/927682788.db2.gz LTTGWKFFRYSHRI-MRXNPFEDSA-N 0 3 292.448 3.074 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001485570739 927891237 /nfs/dbraw/zinc/89/12/37/927891237.db2.gz WJAYKSRXIWGJQQ-KGLIPLIRSA-N 0 3 280.456 3.071 20 30 CGEDHN C#CCN(CCOCC=C)[C@H]1CCCc2ccccc21 ZINC001473826898 937202232 /nfs/dbraw/zinc/20/22/32/937202232.db2.gz WZWYAWRVRODPHP-SFHVURJKSA-N 0 3 269.388 3.202 20 30 CGEDHN C#Cc1ccc(CNCc2cccc(OC)c2C)cc1 ZINC001474215475 937203814 /nfs/dbraw/zinc/20/38/14/937203814.db2.gz AYQDBSZPSKPTKR-UHFFFAOYSA-N 0 3 265.356 3.275 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001490579561 928375532 /nfs/dbraw/zinc/37/55/32/928375532.db2.gz FTWFFFJYVXBZHE-HOTGVXAUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1cc(Cl)ccc1F ZINC001448883489 937377206 /nfs/dbraw/zinc/37/72/06/937377206.db2.gz OJRQBMGMNBKKPR-UHFFFAOYSA-N 0 3 298.789 3.059 20 30 CGEDHN CC#CCCCC(=O)Nc1cnccc1NC(CC)CC ZINC001450353554 937384572 /nfs/dbraw/zinc/38/45/72/937384572.db2.gz CELVBRZWIQTRJQ-UHFFFAOYSA-N 0 3 287.407 3.236 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001459635935 937494936 /nfs/dbraw/zinc/49/49/36/937494936.db2.gz SONFKSMNKLAPIS-BHYGNILZSA-N 0 3 287.403 3.057 20 30 CGEDHN C#CCCCCCCN1CCN(c2ccccc2O)CC1 ZINC001459649745 937495173 /nfs/dbraw/zinc/49/51/73/937495173.db2.gz HQORAPYNUWPHGG-UHFFFAOYSA-N 0 3 286.419 3.098 20 30 CGEDHN C=CCCCCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC001459820761 937501827 /nfs/dbraw/zinc/50/18/27/937501827.db2.gz SNPQUJPBQYLEBV-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001459815161 937501869 /nfs/dbraw/zinc/50/18/69/937501869.db2.gz BJNLMCAOOIMPPU-MRXNPFEDSA-N 0 3 289.495 3.009 20 30 CGEDHN C=CCC[C@@H](NC/C=C/C(=O)OCC)c1ccccc1 ZINC001459855382 937503033 /nfs/dbraw/zinc/50/30/33/937503033.db2.gz ZXUAOFCAVURBCE-LRFDDAOPSA-N 0 3 273.376 3.403 20 30 CGEDHN CC[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC001459984212 937510267 /nfs/dbraw/zinc/51/02/67/937510267.db2.gz MPOXMYFKMYVGLE-UMVBOHGHSA-N 0 3 285.391 3.006 20 30 CGEDHN Cc1ccc(CN2CCCC[C@@]23CCOC3)cc1C#N ZINC001460959370 937556604 /nfs/dbraw/zinc/55/66/04/937556604.db2.gz NCFGGCNRRPIQIU-KRWDZBQOSA-N 0 3 270.376 3.012 20 30 CGEDHN CC#C[C@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302635 932129271 /nfs/dbraw/zinc/12/92/71/932129271.db2.gz LNGQYRSFDBHYNH-HNNXBMFYSA-N 0 3 273.376 3.002 20 30 CGEDHN C#CC1(NCc2ccc3c(c2)OCCCCO3)CCCC1 ZINC001461711225 937593700 /nfs/dbraw/zinc/59/37/00/937593700.db2.gz FPWXBHAREFIYSQ-UHFFFAOYSA-N 0 3 285.387 3.274 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001230762012 932620434 /nfs/dbraw/zinc/62/04/34/932620434.db2.gz DVZYYPUJVWRVLO-LSDHHAIUSA-N 0 3 290.407 3.089 20 30 CGEDHN C#CCN(C/C=C\c1ccc(F)cc1F)CC1CC1 ZINC001254737470 932725713 /nfs/dbraw/zinc/72/57/13/932725713.db2.gz UQTCONJLUIZRFI-ARJAWSKDSA-N 0 3 261.315 3.323 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001316604808 932746914 /nfs/dbraw/zinc/74/69/14/932746914.db2.gz UYYOBGMNWBIZRL-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN N#CC1CCC(CNc2cc(N)ncc2Cl)CC1 ZINC001335491509 932777865 /nfs/dbraw/zinc/77/78/65/932777865.db2.gz XBGXHBDFLLTNSM-UHFFFAOYSA-N 0 3 264.760 3.059 20 30 CGEDHN C=C[C@H](CO)NCc1cc(Cl)cc2ccccc21 ZINC001307952262 933026295 /nfs/dbraw/zinc/02/62/95/933026295.db2.gz RFBJEGJBHLSSLV-CQSZACIVSA-N 0 3 261.752 3.130 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC001308096688 933047638 /nfs/dbraw/zinc/04/76/38/933047638.db2.gz QWMATGBYEXAXAT-AWEZNQCLSA-N 0 3 286.202 3.370 20 30 CGEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(C)cc1 ZINC001308138045 933054987 /nfs/dbraw/zinc/05/49/87/933054987.db2.gz UMCQGFLOZWVZBZ-INIZCTEOSA-N 0 3 272.392 3.364 20 30 CGEDHN C=C(CNCc1cnc(F)c(C)c1)c1ccccc1 ZINC001308248701 933080254 /nfs/dbraw/zinc/08/02/54/933080254.db2.gz LWCKEUXQBXEJMX-UHFFFAOYSA-N 0 3 256.324 3.332 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C1CCC=CCC1 ZINC001316806204 933483375 /nfs/dbraw/zinc/48/33/75/933483375.db2.gz LRBSAUXHSMECSU-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)CN(C)C1CCC1 ZINC001465093291 937697955 /nfs/dbraw/zinc/69/79/55/937697955.db2.gz NLTDPFNWHOGHPK-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001317381002 933582446 /nfs/dbraw/zinc/58/24/46/933582446.db2.gz IDJRZZYXWNIVPI-SJORKVTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)/C=C(\C)CC ZINC001317422288 933590927 /nfs/dbraw/zinc/59/09/27/933590927.db2.gz SBBMZXJZLXCNBS-FQNOHDAGSA-N 0 3 298.858 3.456 20 30 CGEDHN C=CCCCC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001317460069 933596975 /nfs/dbraw/zinc/59/69/75/933596975.db2.gz VWXJMICTCZBUPV-UHFFFAOYSA-N 0 3 288.435 3.208 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C[C@@H](C)C1CC1)c1ccccc1 ZINC001317728032 933637664 /nfs/dbraw/zinc/63/76/64/933637664.db2.gz BAYDWBUOMVEVQM-PBHICJAKSA-N 0 3 286.419 3.056 20 30 CGEDHN C=CCN[C@H](CNC(=O)C[C@H](C)C1CC1)c1ccccc1 ZINC001317728034 933638280 /nfs/dbraw/zinc/63/82/80/933638280.db2.gz BAYDWBUOMVEVQM-WMLDXEAASA-N 0 3 286.419 3.056 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001320540351 934063406 /nfs/dbraw/zinc/06/34/06/934063406.db2.gz GPXXVXCHIXPXOS-OLZOCXBDSA-N 0 3 286.847 3.050 20 30 CGEDHN CN(C)[C@H](CNc1cccc(CC#N)n1)c1ccc(F)cc1 ZINC001322617349 934320454 /nfs/dbraw/zinc/32/04/54/934320454.db2.gz JSDDKVIURAQMSQ-MRXNPFEDSA-N 0 3 298.365 3.002 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)CC1(C)CCCCC1 ZINC001323259581 934375636 /nfs/dbraw/zinc/37/56/36/934375636.db2.gz SMRVXFGXTABLTH-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001323272393 934378270 /nfs/dbraw/zinc/37/82/70/934378270.db2.gz IOIWZDGDGDNUNU-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)CC2CCCCCC2)C1 ZINC001324655299 934540872 /nfs/dbraw/zinc/54/08/72/934540872.db2.gz AMMQLNDANYTJCH-QGZVFWFLSA-N 0 3 278.440 3.114 20 30 CGEDHN CO[C@@]1(C)C[C@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001473482070 937808752 /nfs/dbraw/zinc/80/87/52/937808752.db2.gz CLNLVVWCNIQCMC-RDJZCZTQSA-N 0 3 291.822 3.485 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)CCCC ZINC001325899924 934938045 /nfs/dbraw/zinc/93/80/45/934938045.db2.gz OMCSPYZEMFOOFA-BZUAXINKSA-N 0 3 278.440 3.064 20 30 CGEDHN N#CCOc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC001326710420 934999865 /nfs/dbraw/zinc/99/98/65/934999865.db2.gz VEXQSDKPFPITEA-UHFFFAOYSA-N 0 3 291.354 3.360 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C=C(CC)CC ZINC001328684140 935159618 /nfs/dbraw/zinc/15/96/18/935159618.db2.gz WFUBPWODSKBMAR-IEBWSBKVSA-N 0 3 298.430 3.291 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H](CC)C(C)C ZINC001328787645 935169085 /nfs/dbraw/zinc/16/90/85/935169085.db2.gz WUOAIKPOXCIXMI-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCN1CCC[C@H](NC(=O)C(F)F)[C@H]1C ZINC001332163427 935444955 /nfs/dbraw/zinc/44/49/55/935444955.db2.gz ZNYKESPUSGADBI-OLZOCXBDSA-N 0 3 290.398 3.191 20 30 CGEDHN C=CCN1CC=C(CNC(=O)CCCC2CCCC2)CC1 ZINC001333458081 935537241 /nfs/dbraw/zinc/53/72/41/935537241.db2.gz NIONBQCSZVSIAO-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN COC1CCC(CN(CCC#N)CC(C)(C)C)CC1 ZINC001333640001 935554969 /nfs/dbraw/zinc/55/49/69/935554969.db2.gz GUKRMOMXFFNWCW-UHFFFAOYSA-N 0 3 266.429 3.453 20 30 CGEDHN CC(C)[C@H]1CN(CCCCC2(C#N)CCC2)CCO1 ZINC001333914375 936075626 /nfs/dbraw/zinc/07/56/26/936075626.db2.gz WGFMUYUBVVRKLG-OAHLLOKOSA-N 0 3 264.413 3.207 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC001334319987 936096843 /nfs/dbraw/zinc/09/68/43/936096843.db2.gz NMKZNQCPMLBANA-OUCADQQQSA-N 0 3 275.783 3.132 20 30 CGEDHN C=C[C@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001338117378 936307000 /nfs/dbraw/zinc/30/70/00/936307000.db2.gz FURBINCZGLFQPR-QGZVFWFLSA-N 0 3 283.371 3.350 20 30 CGEDHN C#CCN(Cc1ccc(Cl)c(OC)c1)C(C)C ZINC001473816497 937822662 /nfs/dbraw/zinc/82/26/62/937822662.db2.gz DCJSZTGZOUYFBP-UHFFFAOYSA-N 0 3 251.757 3.192 20 30 CGEDHN C=C(CC)CN[C@](C)(CO)c1cccc(Br)c1 ZINC001473866041 937826166 /nfs/dbraw/zinc/82/61/66/937826166.db2.gz KFRASLIPTNKKAN-CQSZACIVSA-N 0 3 298.224 3.212 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCCOCC=C ZINC001474211809 937844510 /nfs/dbraw/zinc/84/45/10/937844510.db2.gz YIIIABWBHAARNS-UHFFFAOYSA-N 0 3 293.794 3.034 20 30 CGEDHN C#CCN(CC#CC)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001474369688 937855245 /nfs/dbraw/zinc/85/52/45/937855245.db2.gz OPEOFUYEHAYEFS-MOPGFXCFSA-N 0 3 265.400 3.455 20 30 CGEDHN CC1(C)CC[C@H](CCNCc2cccc(F)c2C#N)OC1 ZINC001474727757 937877349 /nfs/dbraw/zinc/87/73/49/937877349.db2.gz AIZNUSZJFXGFHQ-CQSZACIVSA-N 0 3 290.382 3.382 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)CC(C)C)CC1 ZINC001479894560 937928419 /nfs/dbraw/zinc/92/84/19/937928419.db2.gz WHNQDQWYQQDMJY-UHFFFAOYSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001480740129 937942968 /nfs/dbraw/zinc/94/29/68/937942968.db2.gz VSPONZRPDWPDTL-JKSUJKDBSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1CCC2(CC2)CC1 ZINC001480779373 937943910 /nfs/dbraw/zinc/94/39/10/937943910.db2.gz AYRREISHYPEEJF-CYBMUJFWSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCN1CC=C)c1ccccc1 ZINC001493159045 937948092 /nfs/dbraw/zinc/94/80/92/937948092.db2.gz AKFNAMMPZLYXIO-ROUUACIJSA-N 0 3 298.430 3.113 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001493321673 937949508 /nfs/dbraw/zinc/94/95/08/937949508.db2.gz IYVRITPLDBFONU-CVEARBPZSA-N 0 3 294.483 3.156 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001493321675 937949764 /nfs/dbraw/zinc/94/97/64/937949764.db2.gz IYVRITPLDBFONU-HOTGVXAUSA-N 0 3 294.483 3.156 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)CCCC#CC)c1ccccc1 ZINC001493899094 937951854 /nfs/dbraw/zinc/95/18/54/937951854.db2.gz XQPNWQOLOMJJBV-SFHVURJKSA-N 0 3 298.430 3.203 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001493916255 937952304 /nfs/dbraw/zinc/95/23/04/937952304.db2.gz ZSWSBFZPXIFKON-IYBDPMFKSA-N 0 3 296.430 3.158 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CC(C)C ZINC001494676254 937955592 /nfs/dbraw/zinc/95/55/92/937955592.db2.gz ZGQPETRBMYZXPB-IKGGRYGDSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)/C=C/C(C)(C)C)C(C)C ZINC001496535592 937963048 /nfs/dbraw/zinc/96/30/48/937963048.db2.gz USYKDBLALRYRBI-GWJCSSMESA-N 0 3 286.847 3.072 20 30 CGEDHN C=CCC1(C(=O)NCC2(NCc3ccccc3)CC2)CCC1 ZINC001499341918 937973218 /nfs/dbraw/zinc/97/32/18/937973218.db2.gz ZVIZQYPDKFEVBU-UHFFFAOYSA-N 0 3 298.430 3.171 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)CC ZINC001499512378 937973775 /nfs/dbraw/zinc/97/37/75/937973775.db2.gz XIQOLJBMSXBBIH-XHSDSOJGSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@@H](F)CC ZINC001501391271 937979650 /nfs/dbraw/zinc/97/96/50/937979650.db2.gz POMIEJLOSOPNAU-XHSDSOJGSA-N 0 3 296.430 3.156 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001505456374 937985780 /nfs/dbraw/zinc/98/57/80/937985780.db2.gz SZXJEOXJHPPAPI-BRWVUGGUSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001506577915 937990961 /nfs/dbraw/zinc/99/09/61/937990961.db2.gz DMTIQILFLBUICX-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CC=CCC1 ZINC001514974828 938004046 /nfs/dbraw/zinc/00/40/46/938004046.db2.gz RQZMYPMLLZMDDN-KBPBESRZSA-N 0 3 293.370 3.496 20 30 CGEDHN N#CC(C(=O)C=Cc1ccccc1F)c1cccc(F)n1 ZINC001516710594 938009434 /nfs/dbraw/zinc/00/94/34/938009434.db2.gz NOUKKYJXRFSTGE-IDVQTMNDSA-N 0 3 284.265 3.249 20 30 CGEDHN C=CC[C@@H]1N(C(=O)[C@@H]2CCCN2C(C)C)CCCC1(C)C ZINC001519870374 938021519 /nfs/dbraw/zinc/02/15/19/938021519.db2.gz IYUQQCIUQGVVIJ-HOTGVXAUSA-N 0 3 292.467 3.453 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC1CCCCC1 ZINC001526595227 938056582 /nfs/dbraw/zinc/05/65/82/938056582.db2.gz WJHCZFXYNGDXBT-CYBMUJFWSA-N 0 3 259.353 3.050 20 30 CGEDHN C=CCC1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC001544642180 938146294 /nfs/dbraw/zinc/14/62/94/938146294.db2.gz FXNUKALATNHQTH-HNNXBMFYSA-N 0 3 278.440 3.112 20 30 CGEDHN CC[C@@H](c1ccccc1)N1CCN([C@@H](C)CCC#N)CC1 ZINC001559567911 938229961 /nfs/dbraw/zinc/22/99/61/938229961.db2.gz MTFHOZVAZWINEM-WMZOPIPTSA-N 0 3 285.435 3.448 20 30 CGEDHN C=CCN(Cc1ccc(Br)nc1)C(C)C ZINC001560653572 938268330 /nfs/dbraw/zinc/26/83/30/938268330.db2.gz WQZFBCCBFMNSBZ-UHFFFAOYSA-N 0 3 269.186 3.241 20 30 CGEDHN CC[C@@H](CC#N)NCCCc1ccc(F)c(F)c1 ZINC001560733108 938273085 /nfs/dbraw/zinc/27/30/85/938273085.db2.gz VCCVCUZLIUDYMN-LBPRGKRZSA-N 0 3 252.308 3.179 20 30 CGEDHN C#C[C@H](NCc1cc(C)nc2c1CCCC2)C(C)C ZINC001560818278 938277544 /nfs/dbraw/zinc/27/75/44/938277544.db2.gz HBZSSYYXGLZZSO-INIZCTEOSA-N 0 3 256.393 3.016 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)c1ccccc1 ZINC001496831257 957738281 /nfs/dbraw/zinc/73/82/81/957738281.db2.gz LBTVAFXWQBYYON-MRXNPFEDSA-N 0 3 288.435 3.147 20 30 CGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCCCC(C)(C)C)C1 ZINC001571478377 960465768 /nfs/dbraw/zinc/46/57/68/960465768.db2.gz CWGKFHFFPQAXAT-JKSUJKDBSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H]1CCN1CCCCC ZINC001565827300 960581142 /nfs/dbraw/zinc/58/11/42/960581142.db2.gz AGCBEDFHSCABEJ-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001567928136 960603677 /nfs/dbraw/zinc/60/36/77/960603677.db2.gz CBRDFHVEVSRFIE-IRXDYDNUSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(CC(C)C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001565752329 960822148 /nfs/dbraw/zinc/82/21/48/960822148.db2.gz MCZPNCVCSKPDSP-INIZCTEOSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)CC(C)C ZINC001565831827 960831586 /nfs/dbraw/zinc/83/15/86/960831586.db2.gz OMZJXWZWPISUNM-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(CC(=C)C)[C@@H]2C)CCCC1 ZINC001566117209 960892417 /nfs/dbraw/zinc/89/24/17/960892417.db2.gz IOZJZJVWZQPXPH-CVEARBPZSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCC1(C(=O)NCCC[C@H]2CCCN2CCF)CCC1 ZINC001567261945 961157802 /nfs/dbraw/zinc/15/78/02/961157802.db2.gz RBGPQFQAHSFUDX-HNNXBMFYSA-N 0 3 296.430 3.063 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1cccc2ccccc21 ZINC001567316895 961277272 /nfs/dbraw/zinc/27/72/72/961277272.db2.gz XGGODHJYPCUKFK-UHFFFAOYSA-N 0 3 282.387 3.078 20 30 CGEDHN C=CCN[C@H](CNC(=O)C[C@H]1CC=CCC1)c1ccccc1 ZINC001567663932 961391972 /nfs/dbraw/zinc/39/19/72/961391972.db2.gz TXGLWMRJJBLTPT-FUHWJXTLSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CCC(C)(C)C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001567842299 961446283 /nfs/dbraw/zinc/44/62/83/961446283.db2.gz HCEINCYLTBJLAS-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(=C)C ZINC001567857183 961446696 /nfs/dbraw/zinc/44/66/96/961446696.db2.gz VOAZQIXMGYXXBR-IRXDYDNUSA-N 0 3 288.435 3.006 20 30 CGEDHN C=C(C)CCC(=O)NCC1(NCC(=C)Cl)CCCC1 ZINC001568235275 961521178 /nfs/dbraw/zinc/52/11/78/961521178.db2.gz KQSSBVVALCQAFF-UHFFFAOYSA-N 0 3 284.831 3.114 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001568506045 961604863 /nfs/dbraw/zinc/60/48/63/961604863.db2.gz IKSXWIKXSGTLKV-CYBMUJFWSA-N 0 3 294.826 3.020 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccoc1CCC ZINC001569258204 961727259 /nfs/dbraw/zinc/72/72/59/961727259.db2.gz RBDUNQBEZHELJD-UHFFFAOYSA-N 0 3 298.814 3.036 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001569370057 961751195 /nfs/dbraw/zinc/75/11/95/961751195.db2.gz LTGLSTWITZFDHG-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001569643331 961809027 /nfs/dbraw/zinc/80/90/27/961809027.db2.gz WQGBEDUHKCWKMU-WMLDXEAASA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(CC)CCCC2)C1 ZINC001569723198 961837763 /nfs/dbraw/zinc/83/77/63/961837763.db2.gz DGJXDKLEODXFPW-KRWDZBQOSA-N 0 3 292.467 3.361 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCC2CCCCC2)C(C)(C)C1 ZINC001570909532 962108020 /nfs/dbraw/zinc/10/80/20/962108020.db2.gz LNJVPQYRGLSDKN-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCC2CCCCC2)C(C)(C)C1 ZINC001570909531 962112272 /nfs/dbraw/zinc/11/22/72/962112272.db2.gz LNJVPQYRGLSDKN-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CCC1(C)C ZINC001571297131 962130053 /nfs/dbraw/zinc/13/00/53/962130053.db2.gz NSYVXSHXQOYIRE-CHWSQXEVSA-N 0 3 286.847 3.050 20 30 CGEDHN CC(C)(C)[C@@H](N)C(=O)Nc1ccccc1SCCC#N ZINC001573458164 962258693 /nfs/dbraw/zinc/25/86/93/962258693.db2.gz QLQQFWPGEVQCCD-ZDUSSCGKSA-N 0 3 291.420 3.004 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CC)c(Cl)c1 ZINC001574856650 962325479 /nfs/dbraw/zinc/32/54/79/962325479.db2.gz DKUZOQUBWNEWAE-LBPRGKRZSA-N 0 3 287.190 3.311 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(O)c2ccccc12 ZINC001574908374 962328447 /nfs/dbraw/zinc/32/84/47/962328447.db2.gz LDRMNLCRIMROKY-CQSZACIVSA-N 0 3 284.359 3.168 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](CC)c1ccccc1F ZINC000320353629 260126629 /nfs/dbraw/zinc/12/66/29/260126629.db2.gz FZEZLFPNAMXNCL-IUODEOHRSA-N 0 3 251.345 3.194 20 30 CGEDHN N#Cc1cccc(OCCN2CCC(C3CC3)CC2)c1 ZINC000590008191 346821851 /nfs/dbraw/zinc/82/18/51/346821851.db2.gz ICEVWISYFRYAMD-UHFFFAOYSA-N 0 3 270.376 3.059 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCS[C@@H](c3ccccc3)C2)C1 ZINC000590161674 346833549 /nfs/dbraw/zinc/83/35/49/346833549.db2.gz GJLRNDFWTMLZMN-VNQPRFMTSA-N 0 3 272.417 3.469 20 30 CGEDHN COc1ccccc1[C@@H]1CCCCN1CCOCCC#N ZINC000590160097 346833693 /nfs/dbraw/zinc/83/36/93/346833693.db2.gz JJMKKFGPHBZRMG-INIZCTEOSA-N 0 3 288.391 3.152 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(C[C@@H](C)C2CCCCC2)CC1 ZINC000590168817 346834203 /nfs/dbraw/zinc/83/42/03/346834203.db2.gz HUYFABPDGDPYCD-SJLPKXTDSA-N 0 3 291.483 3.369 20 30 CGEDHN N#CCC1(CNCc2cc3cc(Cl)cnc3o2)CC1 ZINC000590653275 346858957 /nfs/dbraw/zinc/85/89/57/346858957.db2.gz HHRWNEXCUNPPCT-UHFFFAOYSA-N 0 3 275.739 3.265 20 30 CGEDHN CC1(C#N)CCC(N[C@@H]2COc3cc(F)cc(F)c32)CC1 ZINC000590649145 346859209 /nfs/dbraw/zinc/85/92/09/346859209.db2.gz ZINXSBLTBAMPEJ-RYCVTPFZSA-N 0 3 292.329 3.460 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651761488 398284511 /nfs/dbraw/zinc/28/45/11/398284511.db2.gz UCRZQDACAHTAGK-YOEHRIQHSA-N 0 3 282.387 3.336 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H](C)CCO)cc1Cl ZINC000652047101 398320265 /nfs/dbraw/zinc/32/02/65/398320265.db2.gz HLIXHMXMLQBLNA-LBPRGKRZSA-N 0 3 283.799 3.108 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000652062727 398322228 /nfs/dbraw/zinc/32/22/28/398322228.db2.gz UPTKJPBPYDBRPR-OAHLLOKOSA-N 0 3 279.330 3.483 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H]2c3ccccc3CN(C)C2=O)C1 ZINC000623236965 349770733 /nfs/dbraw/zinc/77/07/33/349770733.db2.gz LLHBNMFAACAOHB-UNEWFSDZSA-N 0 3 284.403 3.034 20 30 CGEDHN COCCN(CC1=CCCC1)Cc1ccc(C#N)cc1 ZINC000592068370 346958872 /nfs/dbraw/zinc/95/88/72/346958872.db2.gz ZVPIWARDVYVSHV-UHFFFAOYSA-N 0 3 270.376 3.117 20 30 CGEDHN CN(CCC1CC1)Cc1ccc(C#N)cc1OC(F)F ZINC000441259769 529876388 /nfs/dbraw/zinc/87/63/88/529876388.db2.gz LWTZEEOISVFHCP-UHFFFAOYSA-N 0 3 280.318 3.392 20 30 CGEDHN CC(C)C[C@H](CN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592521793 346995783 /nfs/dbraw/zinc/99/57/83/346995783.db2.gz CBSXKOBNDCSQPY-MSOLQXFVSA-N 0 3 286.419 3.167 20 30 CGEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)CC(F)F ZINC000592825939 347017958 /nfs/dbraw/zinc/01/79/58/347017958.db2.gz LVOYFLYBOXBKKQ-TZMCWYRMSA-N 0 3 294.345 3.166 20 30 CGEDHN C[C@@H](CCC#N)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000593116375 347041550 /nfs/dbraw/zinc/04/15/50/347041550.db2.gz LLTHBEWFCXLQMQ-STQMWFEESA-N 0 3 260.356 3.480 20 30 CGEDHN CCc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041574113 344971910 /nfs/dbraw/zinc/97/19/10/344971910.db2.gz GAKMPDHWFQSLOW-HNNXBMFYSA-N 0 3 279.343 3.146 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ncccc2C#N)C1 ZINC000053580507 345122838 /nfs/dbraw/zinc/12/28/38/345122838.db2.gz XAVPLHUWTMQWOX-PBHICJAKSA-N 0 3 292.386 3.201 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000053580421 345122895 /nfs/dbraw/zinc/12/28/95/345122895.db2.gz SWXNPWPVWDSOFX-YOEHRIQHSA-N 0 3 292.386 3.201 20 30 CGEDHN C=CCCCN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000076490144 345544773 /nfs/dbraw/zinc/54/47/73/345544773.db2.gz WPBKHPXUZXKBBU-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN N#CCCN(CC1CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000093091413 345869194 /nfs/dbraw/zinc/86/91/94/345869194.db2.gz LCJQSUZGAVFNKY-IRXDYDNUSA-N 0 3 254.377 3.416 20 30 CGEDHN N#CCCN(CC1CC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000093091414 345869259 /nfs/dbraw/zinc/86/92/59/345869259.db2.gz LCJQSUZGAVFNKY-DLBZAZTESA-N 0 3 254.377 3.416 20 30 CGEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccoc1 ZINC000102409362 345916315 /nfs/dbraw/zinc/91/63/15/345916315.db2.gz REKSFEWBXOLKCU-UHFFFAOYSA-N 0 3 297.358 3.002 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000121145441 346000854 /nfs/dbraw/zinc/00/08/54/346000854.db2.gz BYWLIXIOBTWCFI-CYBMUJFWSA-N 0 3 294.826 3.415 20 30 CGEDHN N#Cc1cc(F)ccc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000177547240 232371024 /nfs/dbraw/zinc/37/10/24/232371024.db2.gz NJPLFUAWVQRCQT-STQMWFEESA-N 0 3 258.340 3.319 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1cccnc1 ZINC000165201477 346184202 /nfs/dbraw/zinc/18/42/02/346184202.db2.gz GNGPWWMCXGKNAY-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN C=C[C@H](CO)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000624016137 349947746 /nfs/dbraw/zinc/94/77/46/349947746.db2.gz OWSUTIDYFSBVRA-ABAIWWIYSA-N 0 3 290.794 3.335 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cccc(C#N)n2)C1 ZINC000339217869 215018898 /nfs/dbraw/zinc/01/88/98/215018898.db2.gz LNPPMNFMYPODAS-PBHICJAKSA-N 0 3 292.386 3.201 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000289666278 346423848 /nfs/dbraw/zinc/42/38/48/346423848.db2.gz GYYNKGLXBGHLPX-NXEZZACHSA-N 0 3 274.191 3.061 20 30 CGEDHN N#CCC1(CN2CCC(OCc3ccccc3)CC2)CC1 ZINC000384308131 346563781 /nfs/dbraw/zinc/56/37/81/346563781.db2.gz HFDBOVAXCNPMIN-UHFFFAOYSA-N 0 3 284.403 3.361 20 30 CGEDHN N#CC1(CN[C@H]2CCCC23CCOCC3)CCCC1 ZINC000593654906 347101322 /nfs/dbraw/zinc/10/13/22/347101322.db2.gz QQHKGVWBYNMHRH-AWEZNQCLSA-N 0 3 262.397 3.009 20 30 CGEDHN CC[C@H]1COC(C)(C)CN1Cc1ccc(CC#N)cc1 ZINC000403887750 346598246 /nfs/dbraw/zinc/59/82/46/346598246.db2.gz PVLUWZVMUASDDX-INIZCTEOSA-N 0 3 272.392 3.142 20 30 CGEDHN N#CCc1ccc(CN2CCC3(CC3(F)F)CC2)cc1 ZINC000404723208 346600699 /nfs/dbraw/zinc/60/06/99/346600699.db2.gz WCVDWHMBOVMMCV-UHFFFAOYSA-N 0 3 276.330 3.374 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2cccc(CC)c2CC)CC1 ZINC000491652121 346629313 /nfs/dbraw/zinc/62/93/13/346629313.db2.gz LGULIJZRCOGTOQ-UHFFFAOYSA-N 0 3 298.430 3.095 20 30 CGEDHN CN(C)CCN(C(=O)CCCCCC#N)C1CCCCC1 ZINC000588899538 346772814 /nfs/dbraw/zinc/77/28/14/346772814.db2.gz PPJDFPHMMIZPSD-UHFFFAOYSA-N 0 3 293.455 3.183 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC2(CCC2)CC1 ZINC000586783376 346735579 /nfs/dbraw/zinc/73/55/79/346735579.db2.gz PRTXIECAHQBTHS-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN C[C@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000593715695 347106619 /nfs/dbraw/zinc/10/66/19/347106619.db2.gz BAEQFQWDEUUCSY-NEPJUHHUSA-N 0 3 276.355 3.163 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC(C3CCOCC3)C2)cc1 ZINC000594606958 347201635 /nfs/dbraw/zinc/20/16/35/347201635.db2.gz PAXUACJODUVHGK-UHFFFAOYSA-N 0 3 298.430 3.346 20 30 CGEDHN CC(C)CC[C@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000594442937 347174938 /nfs/dbraw/zinc/17/49/38/347174938.db2.gz DFZBLHNPZWMBGU-CABCVRRESA-N 0 3 295.471 3.365 20 30 CGEDHN CSc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1C ZINC000594454074 347175993 /nfs/dbraw/zinc/17/59/93/347175993.db2.gz SITDFKBBFYSFQO-CYBMUJFWSA-N 0 3 291.420 3.067 20 30 CGEDHN CC[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)OC ZINC000594520638 347188869 /nfs/dbraw/zinc/18/88/69/347188869.db2.gz MAZMCHFQRKXAGW-HNNXBMFYSA-N 0 3 260.381 3.002 20 30 CGEDHN C[C@H](NCc1ccc(C#N)o1)C1CCC(F)CC1 ZINC000594990950 347250367 /nfs/dbraw/zinc/25/03/67/347250367.db2.gz VNONRRDLUQGZAE-UNXYVOJBSA-N 0 3 250.317 3.158 20 30 CGEDHN Cc1cc(CNC[C@@H]2C(C)(C)C2(F)F)ccc1C#N ZINC000594991927 347251068 /nfs/dbraw/zinc/25/10/68/347251068.db2.gz NTNANNGPRHHZNG-CYBMUJFWSA-N 0 3 264.319 3.248 20 30 CGEDHN N#CC1(c2ccc(CNCc3cccc(CO)c3)cc2)CC1 ZINC000594918958 347229529 /nfs/dbraw/zinc/22/95/29/347229529.db2.gz CZSYVYVNOAKNGJ-UHFFFAOYSA-N 0 3 292.382 3.024 20 30 CGEDHN COc1cccc(CNCc2ccc(C#N)c(C)c2)c1C ZINC000594999897 347252967 /nfs/dbraw/zinc/25/29/67/347252967.db2.gz YCLYIQDFYSOSLS-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC[C@H](SCC)C2)nn1 ZINC000594941742 347235859 /nfs/dbraw/zinc/23/58/59/347235859.db2.gz UGMJYFUJGCERLM-ZFWWWQNUSA-N 0 3 294.468 3.008 20 30 CGEDHN CC[C@H](C)[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)OC ZINC000594953547 347239378 /nfs/dbraw/zinc/23/93/78/347239378.db2.gz IBMCLHJJGFHKMO-WMLDXEAASA-N 0 3 286.419 3.392 20 30 CGEDHN C=CCCSCCNCc1ncccc1C(F)(F)F ZINC000594960361 347241300 /nfs/dbraw/zinc/24/13/00/347241300.db2.gz OXNSWXWJSRVKNI-UHFFFAOYSA-N 0 3 290.354 3.499 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)s1 ZINC000594975007 347246313 /nfs/dbraw/zinc/24/63/13/347246313.db2.gz MJQSHRXORLDGFI-GJZGRUSLSA-N 0 3 298.411 3.282 20 30 CGEDHN Cc1noc(C)c1[C@H](C)NCCc1ccc(C#N)cc1 ZINC000595418094 347300109 /nfs/dbraw/zinc/30/01/09/347300109.db2.gz PBRMWLONILNBEH-NSHDSACASA-N 0 3 269.348 3.056 20 30 CGEDHN COC[C@@H](CC(C)C)NCC1(C#N)CCCCC1 ZINC000595090165 347280276 /nfs/dbraw/zinc/28/02/76/347280276.db2.gz DPIJBWWCZYTQDF-CQSZACIVSA-N 0 3 252.402 3.111 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC000595092120 347281416 /nfs/dbraw/zinc/28/14/16/347281416.db2.gz XGKFLGMJPBPGLO-LSDHHAIUSA-N 0 3 276.424 3.398 20 30 CGEDHN CCc1cccc(OCCN2CCC[C@@H](CC#N)C2)c1 ZINC000595610206 347326474 /nfs/dbraw/zinc/32/64/74/347326474.db2.gz TVSMASSJPSBDCP-INIZCTEOSA-N 0 3 272.392 3.253 20 30 CGEDHN COc1cccc([C@H](C)N2CCC[C@H](CC#N)C2)c1 ZINC000595615416 347327861 /nfs/dbraw/zinc/32/78/61/347327861.db2.gz QTBNUHAAHKPVJJ-UONOGXRCSA-N 0 3 258.365 3.382 20 30 CGEDHN COc1cc(CN2CCC[C@H](CC#N)C2)ccc1C ZINC000595623909 347329199 /nfs/dbraw/zinc/32/91/99/347329199.db2.gz YCYGMBZAYGQEKQ-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN COCC[C@H](NCCc1ccc(C#N)cc1)c1ccco1 ZINC000595431850 347303047 /nfs/dbraw/zinc/30/30/47/347303047.db2.gz QLCSKNFZDDXPTH-INIZCTEOSA-N 0 3 284.359 3.061 20 30 CGEDHN N#Cc1ccc(CCN2CCC[C@H](OC3CCC3)C2)cc1 ZINC000595559530 347319182 /nfs/dbraw/zinc/31/91/82/347319182.db2.gz FMESLVRPMZETNJ-SFHVURJKSA-N 0 3 284.403 3.134 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1OC ZINC000595844903 347367202 /nfs/dbraw/zinc/36/72/02/347367202.db2.gz HEVYPZNITMKCSS-OKILXGFUSA-N 0 3 288.347 3.286 20 30 CGEDHN Cc1nc(N[C@@H]2CCN(C(C)(C)C)C2)c(Cl)cc1C#N ZINC000596336047 347422222 /nfs/dbraw/zinc/42/22/22/347422222.db2.gz LFMVSNVFMXADSE-GFCCVEGCSA-N 0 3 292.814 3.200 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(N)c1 ZINC000596649740 347498412 /nfs/dbraw/zinc/49/84/12/347498412.db2.gz GMVQIJYSULGKGN-GOSISDBHSA-N 0 3 277.371 3.308 20 30 CGEDHN N#Cc1ccc(NC[C@@H]2CCN2Cc2ccccc2)cc1 ZINC000596551068 347478832 /nfs/dbraw/zinc/47/88/32/347478832.db2.gz BPOKJVOJYKIHQN-SFHVURJKSA-N 0 3 277.371 3.245 20 30 CGEDHN CCO[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596983744 347524710 /nfs/dbraw/zinc/52/47/10/347524710.db2.gz ISCUTHDQDLRGNT-KRWDZBQOSA-N 0 3 284.403 3.243 20 30 CGEDHN CN(CCOCC1CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597019365 347528888 /nfs/dbraw/zinc/52/88/88/347528888.db2.gz ZGSJLRSYMFNKRU-UHFFFAOYSA-N 0 3 284.403 3.100 20 30 CGEDHN N#CC1(c2ccc(CN3CC(C4CCOCC4)C3)cc2)CC1 ZINC000597129629 347538177 /nfs/dbraw/zinc/53/81/77/347538177.db2.gz FVJSINLBQZSCOF-UHFFFAOYSA-N 0 3 296.414 3.100 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1C ZINC000597172513 347543558 /nfs/dbraw/zinc/54/35/58/347543558.db2.gz BVDNHDCMVOPAPL-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN C=CCCC(C)(C)NCc1cc(C(=O)OC)c(C)o1 ZINC000597245230 347562301 /nfs/dbraw/zinc/56/23/01/347562301.db2.gz YFMHWDALQTXYJD-UHFFFAOYSA-N 0 3 265.353 3.209 20 30 CGEDHN Cc1cccc2c1C[C@@H](NCc1cc(C#N)cs1)CO2 ZINC000598988143 347704473 /nfs/dbraw/zinc/70/44/73/347704473.db2.gz XHQZCVAJAYPIDW-CYBMUJFWSA-N 0 3 284.384 3.022 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000599009367 347706314 /nfs/dbraw/zinc/70/63/14/347706314.db2.gz KHZFLLWGUFFJQQ-DLBZAZTESA-N 0 3 284.403 3.145 20 30 CGEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCCCO1 ZINC000599055911 347711725 /nfs/dbraw/zinc/71/17/25/347711725.db2.gz UJDUZADRDQVIBA-PBHICJAKSA-N 0 3 284.403 3.485 20 30 CGEDHN CCC[C@@H](CN[C@H](C)c1cccc(C#N)c1)OCC ZINC000599061143 347713038 /nfs/dbraw/zinc/71/30/38/347713038.db2.gz OEYGYVZDFLLERJ-CJNGLKHVSA-N 0 3 260.381 3.414 20 30 CGEDHN CCN(Cc1cccc(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598586394 347666555 /nfs/dbraw/zinc/66/65/55/347666555.db2.gz STKASMKVRLHEKQ-OAHLLOKOSA-N 0 3 294.826 3.463 20 30 CGEDHN CC(C)N(Cc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598587364 347666963 /nfs/dbraw/zinc/66/69/63/347666963.db2.gz RGLYEOILPKISCC-OAHLLOKOSA-N 0 3 292.398 3.337 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@H]1c1ccco1 ZINC000598593620 347668382 /nfs/dbraw/zinc/66/83/82/347668382.db2.gz VLGFKKYSQGIJPB-KBPBESRZSA-N 0 3 276.380 3.107 20 30 CGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1Cl ZINC000598600171 347669856 /nfs/dbraw/zinc/66/98/56/347669856.db2.gz HBRZRLWMRZEAFZ-ZYHUDNBSSA-N 0 3 298.789 3.430 20 30 CGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)cc1Cl ZINC000598600169 347669910 /nfs/dbraw/zinc/66/99/10/347669910.db2.gz HBRZRLWMRZEAFZ-JQWIXIFHSA-N 0 3 298.789 3.430 20 30 CGEDHN CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598602185 347670062 /nfs/dbraw/zinc/67/00/62/347670062.db2.gz LOISIOAFEKVLQJ-DOMZBBRYSA-N 0 3 296.361 3.306 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000598605101 347670547 /nfs/dbraw/zinc/67/05/47/347670547.db2.gz YUOPBQNXCBZQHE-KNJKRIMISA-N 0 3 298.430 3.465 20 30 CGEDHN N#Cc1cccc(CN2CCCC3(CC3)CC2)c1F ZINC000599673540 347763987 /nfs/dbraw/zinc/76/39/87/347763987.db2.gz SQOMJTHWARJBDD-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN Cc1c2ccccc2oc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599358347 347739904 /nfs/dbraw/zinc/73/99/04/347739904.db2.gz GVGXCISQHSLGMN-UONOGXRCSA-N 0 3 298.386 3.447 20 30 CGEDHN Cc1ccc(CN2CCC3(CCOCC3)CC2)cc1C#N ZINC000599403468 347742091 /nfs/dbraw/zinc/74/20/91/347742091.db2.gz FIZBNXIEKUIZDR-UHFFFAOYSA-N 0 3 284.403 3.259 20 30 CGEDHN Cc1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)cc1C#N ZINC000599477395 347747761 /nfs/dbraw/zinc/74/77/61/347747761.db2.gz GCEKSUSABKAXKA-KDURUIRLSA-N 0 3 296.414 3.259 20 30 CGEDHN N#Cc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000599550783 347753475 /nfs/dbraw/zinc/75/34/75/347753475.db2.gz BBPHVLNRRCEJGK-UHFFFAOYSA-N 0 3 250.292 3.179 20 30 CGEDHN N#CC1(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCCC1 ZINC000601285772 347888823 /nfs/dbraw/zinc/88/88/23/347888823.db2.gz XCDVXRACFKSSEL-KKUMJFAQSA-N 0 3 274.408 3.008 20 30 CGEDHN CC(C)[C@@H]1OCCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602011616 347932435 /nfs/dbraw/zinc/93/24/35/347932435.db2.gz ILOWFROEJBMJRM-YOEHRIQHSA-N 0 3 290.382 3.238 20 30 CGEDHN CC(C)[C@H]1C[C@@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602024499 347933825 /nfs/dbraw/zinc/93/38/25/347933825.db2.gz NVFDHROFQJQKPI-SUMWQHHRSA-N 0 3 290.382 3.238 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@@H]1CC12CCSCC2 ZINC000602022611 347933842 /nfs/dbraw/zinc/93/38/42/347933842.db2.gz ZRNSVTYZGMJDSZ-ZDUSSCGKSA-N 0 3 290.407 3.320 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](CCc1ccccc1)c1ccccn1 ZINC000601715145 347909342 /nfs/dbraw/zinc/90/93/42/347909342.db2.gz OYWMNITWXFFCCJ-YOEHRIQHSA-N 0 3 293.370 3.031 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](CCc1ccccc1)c1ccccn1 ZINC000601715142 347909426 /nfs/dbraw/zinc/90/94/26/347909426.db2.gz OYWMNITWXFFCCJ-PBHICJAKSA-N 0 3 293.370 3.031 20 30 CGEDHN C[C@@]1(c2ccccc2)CCN(Cc2cccc(C#N)n2)C1 ZINC000602477039 347964742 /nfs/dbraw/zinc/96/47/42/347964742.db2.gz OZBYGGHNSQVZHP-GOSISDBHSA-N 0 3 277.371 3.117 20 30 CGEDHN Cc1ccc(NC[C@@H](C)CCC#N)c(OCCN(C)C)c1 ZINC000602500284 347970410 /nfs/dbraw/zinc/97/04/10/347970410.db2.gz XDJHGORZNMCONG-HNNXBMFYSA-N 0 3 289.423 3.287 20 30 CGEDHN CC(C)Oc1ccc(CCNCc2cccc(C#N)n2)cc1 ZINC000602500842 347970844 /nfs/dbraw/zinc/97/08/44/347970844.db2.gz BPYXLSPUOUMPCU-UHFFFAOYSA-N 0 3 295.386 3.073 20 30 CGEDHN Cc1csc([C@H](NC[C@@H](C)CCC#N)C2CC2)n1 ZINC000602566797 347984453 /nfs/dbraw/zinc/98/44/53/347984453.db2.gz KONLFZBPXBEHQF-GXFFZTMASA-N 0 3 263.410 3.432 20 30 CGEDHN C[C@H](CCC#N)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000602580494 347987407 /nfs/dbraw/zinc/98/74/07/347987407.db2.gz DWRCHCBDFUTACK-NEPJUHHUSA-N 0 3 261.325 3.185 20 30 CGEDHN CC(C)[C@H](NC[C@@H](C)CCC#N)c1nc(C2CC2)no1 ZINC000602593113 347990165 /nfs/dbraw/zinc/99/01/65/347990165.db2.gz JBCUAAJCIVRYKM-AAEUAGOBSA-N 0 3 276.384 3.174 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)CCc1c[nH]c2ccccc12 ZINC000602608048 347992664 /nfs/dbraw/zinc/99/26/64/347992664.db2.gz OINURXCBNMURBF-STQMWFEESA-N 0 3 255.365 3.238 20 30 CGEDHN C[C@H](CCC#N)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000602613801 347994510 /nfs/dbraw/zinc/99/45/10/347994510.db2.gz QDASERNQJOYSQW-GDBMZVCRSA-N 0 3 264.413 3.207 20 30 CGEDHN CCCN(CCc1cccs1)Cc1cccc(C#N)n1 ZINC000602618474 347995293 /nfs/dbraw/zinc/99/52/93/347995293.db2.gz UGBBIYFSNAZTAH-UHFFFAOYSA-N 0 3 285.416 3.469 20 30 CGEDHN Cc1cscc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602642419 347999775 /nfs/dbraw/zinc/99/97/75/347999775.db2.gz XPGZDCWMNKKYHJ-CYBMUJFWSA-N 0 3 278.421 3.245 20 30 CGEDHN COc1ccccc1C1(NC[C@@H](C)CCC#N)CC1 ZINC000602700699 348012689 /nfs/dbraw/zinc/01/26/89/348012689.db2.gz NRICLHVSLTZODE-ZDUSSCGKSA-N 0 3 258.365 3.214 20 30 CGEDHN C[C@@H]1OCC[C@@H]1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000602787495 348029204 /nfs/dbraw/zinc/02/92/04/348029204.db2.gz TYDHDFQXRDERPZ-HPBDAGMYSA-N 0 3 284.403 3.183 20 30 CGEDHN CCc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602712848 348015714 /nfs/dbraw/zinc/01/57/14/348015714.db2.gz ORLCAIKAJMRJHN-OAHLLOKOSA-N 0 3 286.419 3.438 20 30 CGEDHN CC[C@H](C)[C@@H](CN1CCc2c(CC#N)cccc2C1)OC ZINC000602731900 348020104 /nfs/dbraw/zinc/02/01/04/348020104.db2.gz YUUVTBLXNORAJT-KBXCAEBGSA-N 0 3 286.419 3.172 20 30 CGEDHN COCCN(CC1(CC#N)CC1)[C@H](C)c1ccccc1 ZINC000602767049 348025753 /nfs/dbraw/zinc/02/57/53/348025753.db2.gz UZFDVLBOUYZQJB-OAHLLOKOSA-N 0 3 272.392 3.390 20 30 CGEDHN CC[C@@](C)(NC[C@H](C)CCC#N)c1nccs1 ZINC000602551346 347980781 /nfs/dbraw/zinc/98/07/81/347980781.db2.gz CHUREPPVUDGYFX-DGCLKSJQSA-N 0 3 251.399 3.298 20 30 CGEDHN N#CCC1(CN2CCC(Cc3cccnc3)CC2)CC1 ZINC000602799854 348031327 /nfs/dbraw/zinc/03/13/27/348031327.db2.gz VUKIMYPGQZGGIV-UHFFFAOYSA-N 0 3 269.392 3.030 20 30 CGEDHN N#CCC1(CN2CCC(N3CCc4ccccc43)CC2)CC1 ZINC000602827113 348033878 /nfs/dbraw/zinc/03/38/78/348033878.db2.gz PVPKWKLTYUPOGF-UHFFFAOYSA-N 0 3 295.430 3.207 20 30 CGEDHN N#CCC1(CN[C@H](c2ccccc2)C2(CO)CC=CC2)CC1 ZINC000602849612 348036523 /nfs/dbraw/zinc/03/65/23/348036523.db2.gz KAOHRRRVUHRHEP-QGZVFWFLSA-N 0 3 296.414 3.340 20 30 CGEDHN CCC[C@H](C)CCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849718 348036528 /nfs/dbraw/zinc/03/65/28/348036528.db2.gz MUSUSVDMSZIGCL-JYJNAYRXSA-N 0 3 265.445 3.121 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)C(C)(C)C)C(C)C ZINC000604332311 348116095 /nfs/dbraw/zinc/11/60/95/348116095.db2.gz XFENVYUUCYXLSV-JKSUJKDBSA-N 0 3 294.483 3.483 20 30 CGEDHN CSc1ccc(CNCCc2ccc(C#N)cc2)o1 ZINC000603431518 348083867 /nfs/dbraw/zinc/08/38/67/348083867.db2.gz ILCBXPAXQPEMLU-UHFFFAOYSA-N 0 3 272.373 3.205 20 30 CGEDHN C=CCCCN(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000605149694 348148494 /nfs/dbraw/zinc/14/84/94/348148494.db2.gz TUMHAGPQBDDLFV-OAHLLOKOSA-N 0 3 274.408 3.172 20 30 CGEDHN CC#CCN(CC)Cc1cccc(Br)c1 ZINC000607728081 348258406 /nfs/dbraw/zinc/25/84/06/348258406.db2.gz ZKICJCKJWLCOAV-UHFFFAOYSA-N 0 3 266.182 3.294 20 30 CGEDHN CC#CCN(C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000607728922 348258951 /nfs/dbraw/zinc/25/89/51/348258951.db2.gz RGTFZNPXJWHKHD-UHFFFAOYSA-N 0 3 286.350 3.368 20 30 CGEDHN N#CCN1CCC(NCc2ccc(Cl)cc2Cl)CC1 ZINC000609335039 348341937 /nfs/dbraw/zinc/34/19/37/348341937.db2.gz QLUKJHGZKCGGBF-UHFFFAOYSA-N 0 3 298.217 3.071 20 30 CGEDHN Cc1ccccc1[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610992142 348415092 /nfs/dbraw/zinc/41/50/92/348415092.db2.gz DFAIURGMGQRWIM-INIZCTEOSA-N 0 3 277.371 3.251 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCC(F)(F)F ZINC000611393794 348445776 /nfs/dbraw/zinc/44/57/76/348445776.db2.gz MBSSRDAFMXDJGE-CYBMUJFWSA-N 0 3 268.282 3.478 20 30 CGEDHN CC(C)C(NCc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000611434093 348451744 /nfs/dbraw/zinc/45/17/44/348451744.db2.gz NBOMLWCKHSTQKJ-UHFFFAOYSA-N 0 3 298.390 3.378 20 30 CGEDHN Cc1c(Cl)cnc(N[C@H]2CN(C(C)C)C[C@H]2C)c1C#N ZINC000612085566 348492613 /nfs/dbraw/zinc/49/26/13/348492613.db2.gz XJQAESHFOIWPHK-YGRLFVJLSA-N 0 3 292.814 3.056 20 30 CGEDHN N#CCc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000612131029 348496469 /nfs/dbraw/zinc/49/64/69/348496469.db2.gz JJMHVKOXVUIVJR-GOSISDBHSA-N 0 3 284.403 3.001 20 30 CGEDHN CC(C)(C#N)CNC1CCN(c2ccc(F)cc2F)CC1 ZINC000612585069 348530487 /nfs/dbraw/zinc/53/04/87/348530487.db2.gz NGVPUNHTPXTQFY-UHFFFAOYSA-N 0 3 293.361 3.073 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000273458317 192158723 /nfs/dbraw/zinc/15/87/23/192158723.db2.gz PZQYIFGCLPUYCH-WPRPVWTQSA-N 0 3 289.206 3.163 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000614578497 348683978 /nfs/dbraw/zinc/68/39/78/348683978.db2.gz FOZRJYAEPPFETB-GOSISDBHSA-N 0 3 284.403 3.258 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358576511 233158624 /nfs/dbraw/zinc/15/86/24/233158624.db2.gz UFWATHWOKBUUFZ-NHYWBVRUSA-N 0 3 264.344 3.019 20 30 CGEDHN Cc1ccncc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000619431009 349249583 /nfs/dbraw/zinc/24/95/83/349249583.db2.gz FZLGUSHBUWPYQP-KRWDZBQOSA-N 0 3 263.344 3.039 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000620303808 349353649 /nfs/dbraw/zinc/35/36/49/349353649.db2.gz FVDOYVJAXLZDQJ-KSZLIROESA-N 0 3 298.430 3.389 20 30 CGEDHN C=CCN(Cc1ccc(C)c(F)c1)[C@H](C)COC ZINC000625530838 350181621 /nfs/dbraw/zinc/18/16/21/350181621.db2.gz UEYJMTXTJPMYOP-CYBMUJFWSA-N 0 3 251.345 3.157 20 30 CGEDHN CCOC[C@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC000625414829 350168636 /nfs/dbraw/zinc/16/86/36/350168636.db2.gz YGGIPZAJRCBEPX-INIZCTEOSA-N 0 3 279.811 3.342 20 30 CGEDHN C=CC[C@H]1CCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000625700221 350198458 /nfs/dbraw/zinc/19/84/58/350198458.db2.gz ICVCJCXNAYXCSQ-NSHDSACASA-N 0 3 260.312 3.365 20 30 CGEDHN C=CC[C@H]1CCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000625702945 350199386 /nfs/dbraw/zinc/19/93/86/350199386.db2.gz KBKFRGHQMMONMO-ZDUSSCGKSA-N 0 3 269.348 3.135 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000625703057 350199970 /nfs/dbraw/zinc/19/99/70/350199970.db2.gz KQAASUJLXPNHKG-HNNXBMFYSA-N 0 3 267.376 3.270 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000625703189 350200021 /nfs/dbraw/zinc/20/00/21/350200021.db2.gz MAABUWPBUYTCIO-LBPRGKRZSA-N 0 3 275.783 3.386 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000625705667 350200685 /nfs/dbraw/zinc/20/06/85/350200685.db2.gz WZIPDBIHVWPGGO-KXBFYZLASA-N 0 3 298.430 3.152 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(OCC)c(OC)c2)C1 ZINC000628405396 350528158 /nfs/dbraw/zinc/52/81/58/350528158.db2.gz KXDTXVODAOOHFA-AWEZNQCLSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(OC)c(OC)cc2OC)C1 ZINC000628405336 350528306 /nfs/dbraw/zinc/52/83/06/350528306.db2.gz JKHSWIJWDGFHCI-CYBMUJFWSA-N 0 3 291.391 3.110 20 30 CGEDHN C=CCCC(C)(C)CN[C@H](c1nccn1C)C1CC1 ZINC000631681225 351117496 /nfs/dbraw/zinc/11/74/96/351117496.db2.gz WLMJQYHQLHHZIY-AWEZNQCLSA-N 0 3 261.413 3.453 20 30 CGEDHN C=CCCC(C)(C)CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000631684769 351118984 /nfs/dbraw/zinc/11/89/84/351118984.db2.gz UONAAGCRMSYIID-ZDUSSCGKSA-N 0 3 261.413 3.472 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2cc(F)ccc2o1 ZINC000634979738 351614628 /nfs/dbraw/zinc/61/46/28/351614628.db2.gz MWPAXFAGVHHHRM-BZNIZROVSA-N 0 3 290.338 3.038 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292110660 198166627 /nfs/dbraw/zinc/16/66/27/198166627.db2.gz HCGUSOKCHABJLO-WMLDXEAASA-N 0 3 293.370 3.168 20 30 CGEDHN C#CCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000271632564 191249095 /nfs/dbraw/zinc/24/90/95/191249095.db2.gz DPXGOMNCLXJYBE-GFCCVEGCSA-N 0 3 259.246 3.432 20 30 CGEDHN CCOC[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000154270106 188132310 /nfs/dbraw/zinc/13/23/10/188132310.db2.gz ZHIFGBLFLNPXID-HNNXBMFYSA-N 0 3 277.795 3.050 20 30 CGEDHN CC#CCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000155642024 188218386 /nfs/dbraw/zinc/21/83/86/188218386.db2.gz HUZIIJYHPRAMSA-QGZVFWFLSA-N 0 3 291.822 3.499 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000442851535 283057831 /nfs/dbraw/zinc/05/78/31/283057831.db2.gz FCUNXSSJJDFOQM-DJSGYFEHSA-N 0 3 258.340 3.485 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(OC3CCCCC3)CC2)C1 ZINC000336595708 283066002 /nfs/dbraw/zinc/06/60/02/283066002.db2.gz GRDKYBXEVKBPSE-LSDHHAIUSA-N 0 3 276.424 3.492 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3ccc(O)cc32)C1 ZINC000332058493 283067289 /nfs/dbraw/zinc/06/72/89/283067289.db2.gz OUPHIBADXDXIIO-NORZTCDRSA-N 0 3 256.349 3.051 20 30 CGEDHN N#C[C@H]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000442851539 283067530 /nfs/dbraw/zinc/06/75/30/283067530.db2.gz FCUNXSSJJDFOQM-HZUKXOBISA-N 0 3 258.340 3.485 20 30 CGEDHN N#Cc1ccc([C@H](O)CNC2(c3cccc(F)c3)CC2)cc1 ZINC000271786113 191326455 /nfs/dbraw/zinc/32/64/55/191326455.db2.gz MJQURPHUJPFPNM-QGZVFWFLSA-N 0 3 296.345 3.010 20 30 CGEDHN C[C@H](COCC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 ZINC000271844125 191363536 /nfs/dbraw/zinc/36/35/36/191363536.db2.gz HJUKTQRQXAQKRL-MNOVXSKESA-N 0 3 286.297 3.176 20 30 CGEDHN Cc1ccccc1[C@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000271865604 191377682 /nfs/dbraw/zinc/37/76/82/191377682.db2.gz VAHOERGETYVQCF-RDTXWAMCSA-N 0 3 280.371 3.251 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)cc1F ZINC000192041982 283141157 /nfs/dbraw/zinc/14/11/57/283141157.db2.gz QCVPMGNPARYFOU-CJNGLKHVSA-N 0 3 258.340 3.462 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000352832299 283146411 /nfs/dbraw/zinc/14/64/11/283146411.db2.gz FDPRHBLYPXEOSD-CYBMUJFWSA-N 0 3 298.308 3.236 20 30 CGEDHN Cc1nc2ccccn2c1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000124610722 138376137 /nfs/dbraw/zinc/37/61/37/138376137.db2.gz COERAHJCRAJVET-ZDUSSCGKSA-N 0 3 290.370 3.365 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@@H](C)c1cccc(C#N)c1)OC ZINC000294095371 198906429 /nfs/dbraw/zinc/90/64/29/198906429.db2.gz BLVDAWHCOOVOJP-XEZPLFJOSA-N 0 3 260.381 3.270 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCc1cncs1 ZINC000425537292 236258470 /nfs/dbraw/zinc/25/84/70/236258470.db2.gz QKZOUTWRZKQRRG-GFCCVEGCSA-N 0 3 271.389 3.250 20 30 CGEDHN CN(C)[C@@]1(CNc2cccc(Cl)c2C#N)CCSC1 ZINC000297474073 200203385 /nfs/dbraw/zinc/20/33/85/200203385.db2.gz LBKSYWUBQNBMJS-CQSZACIVSA-N 0 3 295.839 3.061 20 30 CGEDHN COCCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177048279 189024383 /nfs/dbraw/zinc/02/43/83/189024383.db2.gz NMNNLSGITXGLPK-UHFFFAOYSA-N 0 3 285.309 3.025 20 30 CGEDHN CCOC[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177366928 189046311 /nfs/dbraw/zinc/04/63/11/189046311.db2.gz CLEWRCLXUJWFCD-OAHLLOKOSA-N 0 3 277.795 3.050 20 30 CGEDHN CC(C)[C@H](CNCc1ccc(C#N)o1)c1cccnc1 ZINC000177596454 189059217 /nfs/dbraw/zinc/05/92/17/189059217.db2.gz OIXXMUFDUHMFHH-INIZCTEOSA-N 0 3 269.348 3.076 20 30 CGEDHN C=CCC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178080404 189089514 /nfs/dbraw/zinc/08/95/14/189089514.db2.gz ACAMQRFIVGNFSB-MRXNPFEDSA-N 0 3 292.379 3.132 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cn(C)nc2C)cc1 ZINC000178717915 189140207 /nfs/dbraw/zinc/14/02/07/189140207.db2.gz HUUYWVROZSNFSB-KBPBESRZSA-N 0 3 297.402 3.152 20 30 CGEDHN C=CCC[C@@H](NCC(=O)NCc1ccco1)c1ccccc1 ZINC000178756400 189143237 /nfs/dbraw/zinc/14/32/37/189143237.db2.gz FHEDKUKXNCLOMM-QGZVFWFLSA-N 0 3 298.386 3.193 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CCCCO1 ZINC000299385500 200706038 /nfs/dbraw/zinc/70/60/38/200706038.db2.gz PJZFPJODPGTBFX-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179591801 189205740 /nfs/dbraw/zinc/20/57/40/189205740.db2.gz MOCBVZYQZWTVAL-YPMHNXCESA-N 0 3 285.334 3.266 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](CC)c1ccc(F)cc1F ZINC000179632806 189209023 /nfs/dbraw/zinc/20/90/23/189209023.db2.gz DKPXUDWDCNCCAE-SWLSCSKDSA-N 0 3 269.335 3.333 20 30 CGEDHN CC[C@H](C)[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000183057764 189344530 /nfs/dbraw/zinc/34/45/30/189344530.db2.gz XDIOGUWXCAAQDI-WDEREUQCSA-N 0 3 293.798 3.174 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](C)CN2CCCCC2)c1 ZINC000302010950 201296786 /nfs/dbraw/zinc/29/67/86/201296786.db2.gz CKDUBKYNDNQMEY-CQSZACIVSA-N 0 3 299.418 3.295 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCCN1CCCC[C@H]1C ZINC000302088790 201337867 /nfs/dbraw/zinc/33/78/67/201337867.db2.gz FZHLGUVROYWHMD-CYBMUJFWSA-N 0 3 285.391 3.047 20 30 CGEDHN CCC[C@H](NCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000451442683 240304673 /nfs/dbraw/zinc/30/46/73/240304673.db2.gz WXEQGWRPMKRHCU-LBPRGKRZSA-N 0 3 293.436 3.363 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]3CCC[C@@H]32)ccc1F ZINC000121529884 370870029 /nfs/dbraw/zinc/87/00/29/370870029.db2.gz LCAKPKWGOHANEK-CJNGLKHVSA-N 0 3 258.340 3.462 20 30 CGEDHN C=C(C)COCCNCc1cccc(OC(C)C)c1 ZINC000125791370 370941702 /nfs/dbraw/zinc/94/17/02/370941702.db2.gz DQINXPRSQRTDPG-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@H](NC[C@H]1Cc2ccccc2O1)c1cccc(C#N)c1 ZINC000038009702 369138843 /nfs/dbraw/zinc/13/88/43/369138843.db2.gz WVHJEINHSDVASI-SUMWQHHRSA-N 0 3 278.355 3.213 20 30 CGEDHN N#CC(C(=O)c1ccoc1)c1ccc(C(F)(F)F)cn1 ZINC000041553893 369190524 /nfs/dbraw/zinc/19/05/24/369190524.db2.gz KIUKYFIOSCWIPD-SNVBAGLBSA-N 0 3 280.205 3.183 20 30 CGEDHN C=CCOc1ccc(CN(C)C[C@@H]2CCCCO2)cc1 ZINC000042364583 369217289 /nfs/dbraw/zinc/21/72/89/369217289.db2.gz WHISECVYGOZLLI-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN N#CC(C(=O)c1cccc(OC(F)F)c1)c1ccccn1 ZINC000046439737 369293628 /nfs/dbraw/zinc/29/36/28/369293628.db2.gz OBDOWEKORKXEIS-LBPRGKRZSA-N 0 3 288.253 3.173 20 30 CGEDHN C[C@@H](CNc1snc(Cl)c1C#N)N1CCC[C@H](C)C1 ZINC000048559912 369358266 /nfs/dbraw/zinc/35/82/66/369358266.db2.gz RUOADDLVLZVATO-UWVGGRQHSA-N 0 3 298.843 3.200 20 30 CGEDHN C=C(C)CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050963759 369443888 /nfs/dbraw/zinc/44/38/88/369443888.db2.gz KODBNUWXTKUPOU-MRXNPFEDSA-N 0 3 263.356 3.383 20 30 CGEDHN C=CCCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000276106777 193216381 /nfs/dbraw/zinc/21/63/81/193216381.db2.gz HCZNILOZMSNITK-UHFFFAOYSA-N 0 3 286.375 3.143 20 30 CGEDHN CC1CCN(CCNc2ccc(Cl)cc2C#N)CC1 ZINC000052857652 369474130 /nfs/dbraw/zinc/47/41/30/369474130.db2.gz OEJIMSLVSLZAMD-UHFFFAOYSA-N 0 3 277.799 3.355 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)CCCC#N)C12CCCCC2 ZINC000127435248 370953241 /nfs/dbraw/zinc/95/32/41/370953241.db2.gz WSYLFLKQNRFPTE-CABCVRRESA-N 0 3 264.413 3.350 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccc(OC)cc1 ZINC000054183564 369497371 /nfs/dbraw/zinc/49/73/71/369497371.db2.gz TZJLOUDUPKRQON-UKRRQHHQSA-N 0 3 260.381 3.298 20 30 CGEDHN CCc1ccc([C@H](CNc2ncccc2C#N)N(C)C)cc1 ZINC000057364285 369536217 /nfs/dbraw/zinc/53/62/17/369536217.db2.gz NXARYLUJFNDKLU-KRWDZBQOSA-N 0 3 294.402 3.230 20 30 CGEDHN CC(C)CCOCCN(C)Cc1cccc(C#N)c1 ZINC000056283597 369524309 /nfs/dbraw/zinc/52/43/09/369524309.db2.gz OTRADWVMSSCUOW-UHFFFAOYSA-N 0 3 260.381 3.053 20 30 CGEDHN COc1ccccc1C[C@H]1CCCN1CCCC#N ZINC000058525622 369569931 /nfs/dbraw/zinc/56/99/31/369569931.db2.gz YEBHFFVOTHEHER-OAHLLOKOSA-N 0 3 258.365 3.006 20 30 CGEDHN N#CCCCCNCc1sccc1Br ZINC000087575595 370027296 /nfs/dbraw/zinc/02/72/96/370027296.db2.gz OQEAOWKTUKWVKP-UHFFFAOYSA-N 0 3 273.199 3.294 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2sccc21 ZINC000090883533 370070263 /nfs/dbraw/zinc/07/02/63/370070263.db2.gz HULDJUBWCYIFIL-CYBMUJFWSA-N 0 3 251.395 3.308 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000090919472 370071213 /nfs/dbraw/zinc/07/12/13/370071213.db2.gz GTYWQUWLVHUXBZ-SNVBAGLBSA-N 0 3 282.181 3.132 20 30 CGEDHN CC[C@H](CC#N)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000091842885 370075778 /nfs/dbraw/zinc/07/57/78/370075778.db2.gz VXUZWVLUKQYUKX-IYXRBSQSSA-N 0 3 295.427 3.104 20 30 CGEDHN C=CCN(Cc1cc(C(N)=O)cs1)CC1CCCCC1 ZINC000093382961 370120358 /nfs/dbraw/zinc/12/03/58/370120358.db2.gz ZQCOGQJJTHWILK-UHFFFAOYSA-N 0 3 292.448 3.415 20 30 CGEDHN C=C(CNCc1cccc2c1OCO2)c1ccccc1 ZINC000110057533 370369078 /nfs/dbraw/zinc/36/90/78/370369078.db2.gz KHNLHKHWBHOPKN-UHFFFAOYSA-N 0 3 267.328 3.218 20 30 CGEDHN N#Cc1cccc(CN2CCc3ccccc3CC2)c1F ZINC000219523196 376201416 /nfs/dbraw/zinc/20/14/16/376201416.db2.gz CGMYMSCIPGBALX-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)c1 ZINC000134228674 371312900 /nfs/dbraw/zinc/31/29/00/371312900.db2.gz RRKKLFOAHVDUOT-AUUYWEPGSA-N 0 3 292.382 3.382 20 30 CGEDHN CCOCc1ccccc1CNCc1ccc(C#N)s1 ZINC000135675057 371442847 /nfs/dbraw/zinc/44/28/47/371442847.db2.gz NQDSNEUZXLAYKT-UHFFFAOYSA-N 0 3 286.400 3.446 20 30 CGEDHN CCCOc1cccc(CCNCc2ccc(C#N)o2)c1 ZINC000135954423 371455929 /nfs/dbraw/zinc/45/59/29/371455929.db2.gz GUECQRQZIKESEA-UHFFFAOYSA-N 0 3 284.359 3.272 20 30 CGEDHN C=C[C@H](CC(=O)N1CC[C@@H]2CC[C@H](C1)N2C)c1ccccc1 ZINC000137094576 371493106 /nfs/dbraw/zinc/49/31/06/371493106.db2.gz JVEDOSVZSSKMCT-BPQIPLTHSA-N 0 3 298.430 3.041 20 30 CGEDHN COc1cc(CN[C@H](C)C2(OC)CCCC2)ccc1C#N ZINC000421857927 371681911 /nfs/dbraw/zinc/68/19/11/371681911.db2.gz QNHPOLJTTBAMJJ-CYBMUJFWSA-N 0 3 288.391 3.004 20 30 CGEDHN C#CCCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000288790378 371745507 /nfs/dbraw/zinc/74/55/07/371745507.db2.gz LAXWNOWMYCFKTK-AWEZNQCLSA-N 0 3 251.757 3.031 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000289328446 371755062 /nfs/dbraw/zinc/75/50/62/371755062.db2.gz UPCYOMSTGMJBFO-ROUUACIJSA-N 0 3 295.382 3.349 20 30 CGEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)CCC1(F)F ZINC000289976168 371867414 /nfs/dbraw/zinc/86/74/14/371867414.db2.gz XJKSODMGJQATRI-ZDUSSCGKSA-N 0 3 294.345 3.304 20 30 CGEDHN CC#CCCN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000155072600 371903641 /nfs/dbraw/zinc/90/36/41/371903641.db2.gz NJCUETOVGYSNCN-INIZCTEOSA-N 0 3 273.376 3.254 20 30 CGEDHN CC#CCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000155207915 371914085 /nfs/dbraw/zinc/91/40/85/371914085.db2.gz GMDWWAPIQXDSPM-UHFFFAOYSA-N 0 3 260.337 3.219 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cc(Br)cs2)C1 ZINC000335630625 327502982 /nfs/dbraw/zinc/50/29/82/327502982.db2.gz GVKOLSIZWKKZMT-WPRPVWTQSA-N 0 3 285.210 3.292 20 30 CGEDHN CC#CCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000155377328 371925532 /nfs/dbraw/zinc/92/55/32/371925532.db2.gz NWKVWXWLBLMOEV-HNNXBMFYSA-N 0 3 271.360 3.008 20 30 CGEDHN N#Cc1ncccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000290455104 371993263 /nfs/dbraw/zinc/99/32/63/371993263.db2.gz DSPAYVOAJJQODW-OAHLLOKOSA-N 0 3 298.415 3.264 20 30 CGEDHN CCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157137033 372008718 /nfs/dbraw/zinc/00/87/18/372008718.db2.gz MMQALNFMBULBRH-UHFFFAOYSA-N 0 3 271.282 3.279 20 30 CGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000157213172 372012129 /nfs/dbraw/zinc/01/21/29/372012129.db2.gz VWYZOMGLWMNYAL-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN C=C1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291107301 372117748 /nfs/dbraw/zinc/11/77/48/372117748.db2.gz JZEZIQAGBFVCFH-AWEZNQCLSA-N 0 3 285.309 3.391 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000425310225 372120659 /nfs/dbraw/zinc/12/06/59/372120659.db2.gz XRDRIXKWIKZHAS-UONOGXRCSA-N 0 3 292.423 3.427 20 30 CGEDHN CC[C@@]1(C)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000344236291 217111080 /nfs/dbraw/zinc/11/10/80/217111080.db2.gz JVGFSEMLLJVNNH-KRWDZBQOSA-N 0 3 267.376 3.433 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2C)sc1C ZINC000160086817 372210377 /nfs/dbraw/zinc/21/03/77/372210377.db2.gz XRFWFSJSQRRVPV-LBPRGKRZSA-N 0 3 285.372 3.314 20 30 CGEDHN CC#CCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000160100685 372212738 /nfs/dbraw/zinc/21/27/38/372212738.db2.gz ZNQDYMKGLIBXAV-UHFFFAOYSA-N 0 3 285.366 3.104 20 30 CGEDHN CSC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000292892397 372239942 /nfs/dbraw/zinc/23/99/42/372239942.db2.gz ZEFWIBRIRMYMRL-LLVKDONJSA-N 0 3 266.435 3.195 20 30 CGEDHN CC(C)N(Cc1cccc(F)c1C#N)C1CCOCC1 ZINC000428380856 372187494 /nfs/dbraw/zinc/18/74/94/372187494.db2.gz DXPDPPWQRUQQOE-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN C=CCCCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428772569 372263713 /nfs/dbraw/zinc/26/37/13/372263713.db2.gz MUTJJALADGCMGA-MRXNPFEDSA-N 0 3 285.391 3.153 20 30 CGEDHN CCOC1(CNCc2ccc(C#N)c(OC)c2)CCCC1 ZINC000293004440 372276865 /nfs/dbraw/zinc/27/68/65/372276865.db2.gz PDLXEPRHFVDSCQ-UHFFFAOYSA-N 0 3 288.391 3.006 20 30 CGEDHN C=C(CC)CN[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000429555544 372372920 /nfs/dbraw/zinc/37/29/20/372372920.db2.gz FUKNNXPDSYKOIH-HNNXBMFYSA-N 0 3 271.364 3.218 20 30 CGEDHN N#CCCCCN(CCc1ccccn1)Cc1cccnc1 ZINC000430307363 372387894 /nfs/dbraw/zinc/38/78/94/372387894.db2.gz QUBOBYMBKSQSOK-UHFFFAOYSA-N 0 3 294.402 3.215 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000430739503 372394577 /nfs/dbraw/zinc/39/45/77/372394577.db2.gz HUYGEVZWYSSFEW-OAHLLOKOSA-N 0 3 258.340 3.487 20 30 CGEDHN CO[C@]1(C)C[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344374203 217174937 /nfs/dbraw/zinc/17/49/37/217174937.db2.gz KWJQCFBXSMYVKM-NVXWUHKLSA-N 0 3 290.382 3.333 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@H](C)c1cccc(C#N)c1)OC ZINC000294095377 372579795 /nfs/dbraw/zinc/57/97/95/372579795.db2.gz BLVDAWHCOOVOJP-ZENOOKHLSA-N 0 3 260.381 3.270 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H]1COc2ccccc21 ZINC000169136119 372625201 /nfs/dbraw/zinc/62/52/01/372625201.db2.gz BHEBSCYQKKWOML-IAQYHMDHSA-N 0 3 284.384 3.274 20 30 CGEDHN CN(C(=O)OC(C)(C)C)C1CCN(CCCCC#N)CC1 ZINC000170959374 372690268 /nfs/dbraw/zinc/69/02/68/372690268.db2.gz WSXCRGRRKJDBSL-UHFFFAOYSA-N 0 3 295.427 3.012 20 30 CGEDHN N#CCCCCNCc1ccccc1OC(F)(F)F ZINC000171416774 372753911 /nfs/dbraw/zinc/75/39/11/372753911.db2.gz PLMPXJWBJQXYAK-UHFFFAOYSA-N 0 3 272.270 3.369 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(Cl)o1 ZINC000435738404 372799090 /nfs/dbraw/zinc/79/90/90/372799090.db2.gz AGGMWPZKOVUTGG-GWCFXTLKSA-N 0 3 255.745 3.004 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC2CCN(C3CCC3)CC2)c1 ZINC000295852315 372935258 /nfs/dbraw/zinc/93/52/58/372935258.db2.gz BIDVTUOZHVOWBL-UHFFFAOYSA-N 0 3 297.402 3.190 20 30 CGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439664450 372981130 /nfs/dbraw/zinc/98/11/30/372981130.db2.gz GENCBVZSGHTOHD-BFYDXBDKSA-N 0 3 299.418 3.020 20 30 CGEDHN CO[C@H]1CCCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000441281168 373000272 /nfs/dbraw/zinc/00/02/72/373000272.db2.gz SXWGBBMDNQCCHQ-HOTGVXAUSA-N 0 3 277.795 3.239 20 30 CGEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442774370 373076751 /nfs/dbraw/zinc/07/67/51/373076751.db2.gz FADMGXKMGGHSNU-CMPLNLGQSA-N 0 3 298.308 3.496 20 30 CGEDHN CCOc1cc(C)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442785265 373082238 /nfs/dbraw/zinc/08/22/38/373082238.db2.gz RKKRFDSMUKCYKK-ZFWWWQNUSA-N 0 3 258.365 3.176 20 30 CGEDHN CO[C@H](CN[C@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000442888083 373118752 /nfs/dbraw/zinc/11/87/52/373118752.db2.gz DOTJCSZRJNUVPP-TUKIKUTGSA-N 0 3 278.783 3.309 20 30 CGEDHN CC(C)(C#N)CCCCN(CCO)Cc1cccc(F)c1 ZINC000444691827 373240254 /nfs/dbraw/zinc/24/02/54/373240254.db2.gz DJUUVQNPRJEXKO-UHFFFAOYSA-N 0 3 292.398 3.340 20 30 CGEDHN C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000353598888 220181020 /nfs/dbraw/zinc/18/10/20/220181020.db2.gz VAPLCMSTBWVTCC-TVQRCGJNSA-N 0 3 268.282 3.334 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CC)(CC)C1 ZINC000446738651 373355333 /nfs/dbraw/zinc/35/53/33/373355333.db2.gz KPEXRJVPIIMTEH-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnc(N(C)C)nc2)CCCC1(C)C ZINC000446856058 373371055 /nfs/dbraw/zinc/37/10/55/373371055.db2.gz LSJKZPUOCDRLSP-HNNXBMFYSA-N 0 3 288.439 3.109 20 30 CGEDHN CCc1nn(C)cc1CN[C@H](CC)c1ccc(C#N)cc1 ZINC000447580534 373456147 /nfs/dbraw/zinc/45/61/47/373456147.db2.gz OSHZQHSRTMJEIQ-MRXNPFEDSA-N 0 3 282.391 3.095 20 30 CGEDHN CC#CCCN1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447389957 373431707 /nfs/dbraw/zinc/43/17/07/373431707.db2.gz BZZHTLCVSDDNJN-MRXNPFEDSA-N 0 3 293.414 3.159 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000447843918 373506699 /nfs/dbraw/zinc/50/66/99/373506699.db2.gz OLKFUYVQHMTOMA-PBHICJAKSA-N 0 3 291.822 3.317 20 30 CGEDHN C=CCN1CCC(NC(=O)C(CC(C)C)CC(C)C)CC1 ZINC000448919372 373650063 /nfs/dbraw/zinc/65/00/63/373650063.db2.gz AGKWOOXDVBGNEK-UHFFFAOYSA-N 0 3 294.483 3.461 20 30 CGEDHN COc1cc(CN2CCC[C@@H]3CCC[C@H]32)ccc1C#N ZINC000300200672 373619772 /nfs/dbraw/zinc/61/97/72/373619772.db2.gz VXQDVPPNNLYEPL-GOEBONIOSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCCCN(C)Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449026745 373657018 /nfs/dbraw/zinc/65/70/18/373657018.db2.gz GSNFYGCLYKPQPR-UHFFFAOYSA-N 0 3 285.391 3.279 20 30 CGEDHN COc1cccc2c(CNCCCC#N)cccc12 ZINC000449236641 373673422 /nfs/dbraw/zinc/67/34/22/373673422.db2.gz YMJHMUVGRVUXDA-UHFFFAOYSA-N 0 3 254.333 3.242 20 30 CGEDHN C=CCc1cc(CNC[C@](C)(CC)OC)cc(OC)c1O ZINC000449478174 373765857 /nfs/dbraw/zinc/76/58/57/373765857.db2.gz RBUQDEFKVOUMPM-KRWDZBQOSA-N 0 3 293.407 3.034 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H]1COc2ccccc21 ZINC000179006532 373828119 /nfs/dbraw/zinc/82/81/19/373828119.db2.gz IIVAASMOHXUELS-BLLLJJGKSA-N 0 3 296.345 3.352 20 30 CGEDHN N#Cc1cccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449530496 373828893 /nfs/dbraw/zinc/82/88/93/373828893.db2.gz ADWIIWHQYPUQIL-DLBZAZTESA-N 0 3 252.361 3.179 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C2CCC2)s1 ZINC000449548069 373830444 /nfs/dbraw/zinc/83/04/44/373830444.db2.gz LGKAARDLWSZMSL-KGLIPLIRSA-N 0 3 278.421 3.234 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)c(C)c1 ZINC000449549681 373832051 /nfs/dbraw/zinc/83/20/51/373832051.db2.gz ZZXGMIBPFCZNKM-CABCVRRESA-N 0 3 265.784 3.472 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000449699109 373846870 /nfs/dbraw/zinc/84/68/70/373846870.db2.gz PTTZFILIULAMBF-CQSZACIVSA-N 0 3 287.359 3.489 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCCC1 ZINC000449847150 373943392 /nfs/dbraw/zinc/94/33/92/373943392.db2.gz DOTBJQSYXYTLBJ-OAHLLOKOSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CCC[C@@H](NCC(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000180043327 373956649 /nfs/dbraw/zinc/95/66/49/373956649.db2.gz FLVULMJPUATNMV-NVXWUHKLSA-N 0 3 288.435 3.444 20 30 CGEDHN C[C@@H](c1ccccc1)[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000450224909 374008008 /nfs/dbraw/zinc/00/80/08/374008008.db2.gz DQVYHGATVDVWPG-KXBFYZLASA-N 0 3 294.398 3.155 20 30 CGEDHN C=CCSCCN[C@@H]1CCCc2nc(C)sc21 ZINC000180455710 374010030 /nfs/dbraw/zinc/01/00/30/374010030.db2.gz KMGCLBKRFMPYAX-LLVKDONJSA-N 0 3 268.451 3.338 20 30 CGEDHN CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)O ZINC000304782755 374059059 /nfs/dbraw/zinc/05/90/59/374059059.db2.gz GWFKGIBNZAGZJA-CYBMUJFWSA-N 0 3 299.336 3.148 20 30 CGEDHN C[C@@H]1C[C@H](Nc2cccc(Cl)c2C#N)CN1C1CC1 ZINC000450380213 374091176 /nfs/dbraw/zinc/09/11/76/374091176.db2.gz RBOLORNIPXUDFW-MNOVXSKESA-N 0 3 275.783 3.249 20 30 CGEDHN Cc1noc(C)c1C[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000181779983 374172034 /nfs/dbraw/zinc/17/20/34/374172034.db2.gz SQPYYIBMBAVTOV-NWDGAFQWSA-N 0 3 283.375 3.445 20 30 CGEDHN CCC(C)(C)OCCN[C@H](C)c1cccc(C#N)c1 ZINC000308733257 374177072 /nfs/dbraw/zinc/17/70/72/374177072.db2.gz KKKGGOVAFYBLOG-CYBMUJFWSA-N 0 3 260.381 3.414 20 30 CGEDHN C=CCSCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000183193597 374384854 /nfs/dbraw/zinc/38/48/54/374384854.db2.gz IVERUEVELBTYLD-AWEZNQCLSA-N 0 3 287.375 3.161 20 30 CGEDHN N#Cc1cccc(NC2CCN(CCC(F)(F)F)CC2)c1 ZINC000183375362 374408079 /nfs/dbraw/zinc/40/80/79/374408079.db2.gz BTVSRVRDDGKCNZ-UHFFFAOYSA-N 0 3 297.324 3.387 20 30 CGEDHN CO[C@@H]([C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000453340001 374431551 /nfs/dbraw/zinc/43/15/51/374431551.db2.gz BOGPGHANPMQAOJ-USBNGQNGSA-N 0 3 276.355 3.161 20 30 CGEDHN C=CCC[C@H](C)N[C@H](COC)c1ccc(CC)o1 ZINC000184834911 374564973 /nfs/dbraw/zinc/56/49/73/374564973.db2.gz PNJAOVKOTHDJNF-GXTWGEPZSA-N 0 3 251.370 3.474 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cccc(C#N)c1 ZINC000185198339 374610687 /nfs/dbraw/zinc/61/06/87/374610687.db2.gz ABJBMBZDSMVZMF-DLBZAZTESA-N 0 3 272.392 3.242 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185384444 374654033 /nfs/dbraw/zinc/65/40/33/374654033.db2.gz RYYBDYXLWDTLBV-HNNXBMFYSA-N 0 3 288.435 3.392 20 30 CGEDHN COCC1=CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000185858123 374755224 /nfs/dbraw/zinc/75/52/24/374755224.db2.gz PLNXFMCXIQNJOI-UHFFFAOYSA-N 0 3 284.403 3.266 20 30 CGEDHN COCc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185766659 374731967 /nfs/dbraw/zinc/73/19/67/374731967.db2.gz OBMBMURPNFRAAX-JKSUJKDBSA-N 0 3 258.365 3.005 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](CC)c1cccc(Cl)c1F ZINC000185988839 374781651 /nfs/dbraw/zinc/78/16/51/374781651.db2.gz SMKBPBJLGOHIRS-MFKMUULPSA-N 0 3 271.763 3.457 20 30 CGEDHN C=C(C)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000334635770 374926562 /nfs/dbraw/zinc/92/65/62/374926562.db2.gz FTGKVMYPCWIPLO-INIZCTEOSA-N 0 3 257.377 3.416 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@]3(C2)CCCN(C)C3)CCCC1 ZINC000334635233 374927513 /nfs/dbraw/zinc/92/75/13/374927513.db2.gz LARWCAWMDIJKBJ-QGZVFWFLSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CC[C@H](CO)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000186707981 374904047 /nfs/dbraw/zinc/90/40/47/374904047.db2.gz XMFCPKBOJOXURY-HOSYDEDBSA-N 0 3 269.435 3.200 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccccc1F)C1CCCC1 ZINC000468642999 374983344 /nfs/dbraw/zinc/98/33/44/374983344.db2.gz NMIQURMFWDWQBX-CYBMUJFWSA-N 0 3 288.366 3.299 20 30 CGEDHN C=CCC[C@H](CCC)N1CCC[C@@H]1C(=O)OCC ZINC000468548866 374983386 /nfs/dbraw/zinc/98/33/86/374983386.db2.gz QPXSRWZDEVEDNS-UONOGXRCSA-N 0 3 253.386 3.149 20 30 CGEDHN CC(C#N)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000471709200 375006071 /nfs/dbraw/zinc/00/60/71/375006071.db2.gz MFYNIRVOYPCVRL-VIFPVBQESA-N 0 3 285.174 3.202 20 30 CGEDHN CC(C#N)C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000334748160 375025133 /nfs/dbraw/zinc/02/51/33/375025133.db2.gz WPUIUIGIDBOKOH-DZGCQCFKSA-N 0 3 268.360 3.290 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)OC(C)(C)C ZINC000187702725 375076736 /nfs/dbraw/zinc/07/67/36/375076736.db2.gz BFZFHAVFYLPVCS-CYBMUJFWSA-N 0 3 288.391 3.283 20 30 CGEDHN CC(C#N)C(=O)NCC1(Cc2ccccc2)CCCCC1 ZINC000474168450 375087373 /nfs/dbraw/zinc/08/73/73/375087373.db2.gz HMIKDHVZXPXHRI-OAHLLOKOSA-N 0 3 284.403 3.455 20 30 CGEDHN C#Cc1cccc(NC2CCN(CCC(F)(F)F)CC2)c1 ZINC000188080582 375153861 /nfs/dbraw/zinc/15/38/61/375153861.db2.gz HRMMJFRKFUEKLJ-UHFFFAOYSA-N 0 3 296.336 3.497 20 30 CGEDHN COCCN(CC#Cc1ccc(F)cc1)[C@H]1CC[C@@H](C)C1 ZINC000484871228 375188663 /nfs/dbraw/zinc/18/86/63/375188663.db2.gz MINVMXQZZAOYQP-QAPCUYQASA-N 0 3 289.394 3.314 20 30 CGEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485622227 375193027 /nfs/dbraw/zinc/19/30/27/375193027.db2.gz IXVVPQGLEDQGFC-XBVQOTNRSA-N 0 3 282.387 3.331 20 30 CGEDHN COCCN(Cc1cccc(C#N)c1F)[C@@H]1CCC[C@H]1C ZINC000487981051 375290358 /nfs/dbraw/zinc/29/03/58/375290358.db2.gz NAAMWSXDBIKUIV-CZUORRHYSA-N 0 3 290.382 3.334 20 30 CGEDHN CC(C)N(CCOCC(F)F)Cc1ccc(C#N)cc1 ZINC000188924734 375293097 /nfs/dbraw/zinc/29/30/97/375293097.db2.gz HNRAUWOBCNRFDL-UHFFFAOYSA-N 0 3 282.334 3.050 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Br)s2)C1 ZINC000335284697 375257934 /nfs/dbraw/zinc/25/79/34/375257934.db2.gz LZRWGLSMFWFNRP-DTWKUNHWSA-N 0 3 285.210 3.292 20 30 CGEDHN C[C@H]1N(Cc2cc(C#N)ccc2F)CCC12CCOCC2 ZINC000335996805 375602145 /nfs/dbraw/zinc/60/21/45/375602145.db2.gz OVWXNCXKWMRXNH-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1csc2ccccc12 ZINC000335999338 375604193 /nfs/dbraw/zinc/60/41/93/375604193.db2.gz QZEHFBISTQTYOD-JTQLQIEISA-N 0 3 258.346 3.019 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000335999385 375606904 /nfs/dbraw/zinc/60/69/04/375606904.db2.gz XWCKPDDOOOZCIF-QWRGUYRKSA-N 0 3 294.757 3.172 20 30 CGEDHN C=CCC[C@H](O)CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503433295 375651035 /nfs/dbraw/zinc/65/10/35/375651035.db2.gz PMFDQBJKIKCNIZ-UHOFOFEASA-N 0 3 279.811 3.492 20 30 CGEDHN CN(CCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191948170 375682367 /nfs/dbraw/zinc/68/23/67/375682367.db2.gz XNZJZVQPMRSQKS-UHFFFAOYSA-N 0 3 268.335 3.372 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1cc(C#N)ccc1F ZINC000124185492 542031202 /nfs/dbraw/zinc/03/12/02/542031202.db2.gz UFYKRHPTIUGULG-BBRMVZONSA-N 0 3 290.382 3.213 20 30 CGEDHN Cc1ccc(CCC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000510385304 375785556 /nfs/dbraw/zinc/78/55/56/375785556.db2.gz WCELOGRLEWUZGF-HNNXBMFYSA-N 0 3 284.403 3.326 20 30 CGEDHN C[C@@H](OC(=O)C1CCN(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000192676304 375777379 /nfs/dbraw/zinc/77/73/79/375777379.db2.gz MHJYBSCQVFCXOH-CYBMUJFWSA-N 0 3 298.386 3.037 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510552482 375786454 /nfs/dbraw/zinc/78/64/54/375786454.db2.gz VOQAPYSYQXMBGG-CRAIPNDOSA-N 0 3 288.435 3.459 20 30 CGEDHN C=CCOc1cccc(CN[C@@]2(CCC)CCOC2)c1 ZINC000512884031 375799495 /nfs/dbraw/zinc/79/94/95/375799495.db2.gz BKICHEANUWVFPZ-KRWDZBQOSA-N 0 3 275.392 3.300 20 30 CGEDHN COCCC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000527936263 375895066 /nfs/dbraw/zinc/89/50/66/375895066.db2.gz PQNLTPSOMGCGJS-AWEZNQCLSA-N 0 3 272.392 3.368 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000528763864 375909634 /nfs/dbraw/zinc/90/96/34/375909634.db2.gz NQBARFJSUMUSTG-JFILPPLUSA-N 0 3 277.795 3.093 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)C2(C#N)CC(C)C2)c1 ZINC000532065203 375948046 /nfs/dbraw/zinc/94/80/46/375948046.db2.gz XSRYMZYATGUHQV-UHFFFAOYSA-N 0 3 299.418 3.407 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@H](C)c2ccc(C)cc2C)C1=O ZINC000337129395 376088739 /nfs/dbraw/zinc/08/87/39/376088739.db2.gz IODCDZLUZUJJQD-WBVHZDCISA-N 0 3 286.419 3.083 20 30 CGEDHN C=CCN(CCO[C@H]1CCCCO1)Cc1ccccc1 ZINC000195233794 376092342 /nfs/dbraw/zinc/09/23/42/376092342.db2.gz JWHDWKUPWVHQPM-KRWDZBQOSA-N 0 3 275.392 3.218 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@H](c3ccccc3)CC2)C1=O ZINC000337145613 376100147 /nfs/dbraw/zinc/10/01/47/376100147.db2.gz XMNMPLMJKQMYAL-ZWKOTPCHSA-N 0 3 298.430 3.043 20 30 CGEDHN CCN(Cc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000198736681 376123006 /nfs/dbraw/zinc/12/30/06/376123006.db2.gz VSPUFLTZUAPTJJ-UHFFFAOYSA-N 0 3 294.354 3.309 20 30 CGEDHN C=CCCc1ccccc1NC(=O)NC[C@H]1CCCN1C ZINC000337597012 376231219 /nfs/dbraw/zinc/23/12/19/376231219.db2.gz KEICPRHRUZOQDN-OAHLLOKOSA-N 0 3 287.407 3.021 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000222447179 376234358 /nfs/dbraw/zinc/23/43/58/376234358.db2.gz JRGXAFIABHKBTB-OAHLLOKOSA-N 0 3 293.407 3.337 20 30 CGEDHN C=CCN(CCCO[C@@H]1CCCCO1)CCc1ccco1 ZINC000338289575 376316559 /nfs/dbraw/zinc/31/65/59/376316559.db2.gz ITDJEWGWKAGJFJ-QGZVFWFLSA-N 0 3 293.407 3.243 20 30 CGEDHN COCC[C@@H](NCc1cccc(C#N)c1F)C(C)(C)C ZINC000338343836 376341268 /nfs/dbraw/zinc/34/12/68/376341268.db2.gz BIFWVKZNSHWUAQ-CQSZACIVSA-N 0 3 278.371 3.238 20 30 CGEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1ccncc1F ZINC000338341741 376341395 /nfs/dbraw/zinc/34/13/95/376341395.db2.gz FUJAXENYWCVJTN-ZDUSSCGKSA-N 0 3 299.349 3.212 20 30 CGEDHN C[C@H](N[C@H]1COc2ccccc2C1)c1ccc(C#N)cc1F ZINC000540976596 376410515 /nfs/dbraw/zinc/41/05/15/376410515.db2.gz QXFZMNNQWGALON-SWLSCSKDSA-N 0 3 296.345 3.352 20 30 CGEDHN CCOc1ccc(OCCN2CCC(CC#N)CC2)cc1 ZINC000541021366 376414629 /nfs/dbraw/zinc/41/46/29/376414629.db2.gz MYUXKCYSAUJQRU-UHFFFAOYSA-N 0 3 288.391 3.090 20 30 CGEDHN COc1cc(CN2CC[C@@H](C(C)C)C2)ccc1C#N ZINC000234992843 376626616 /nfs/dbraw/zinc/62/66/16/376626616.db2.gz ZQMXKPOSESTADN-OAHLLOKOSA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(F)c(C#N)c1 ZINC000235256588 376636577 /nfs/dbraw/zinc/63/65/77/376636577.db2.gz RCXDJZNIASELMM-CZUORRHYSA-N 0 3 290.382 3.213 20 30 CGEDHN N#Cc1cccc(CNc2nc3ccc(F)cc3[nH]2)c1 ZINC000236188755 376661700 /nfs/dbraw/zinc/66/17/00/376661700.db2.gz AWUBTFQUBCPPMY-UHFFFAOYSA-N 0 3 266.279 3.186 20 30 CGEDHN N#CCC1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000543782617 376678577 /nfs/dbraw/zinc/67/85/77/376678577.db2.gz WRVPTDHYJGMTBT-UHFFFAOYSA-N 0 3 280.318 3.414 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000264469976 190112014 /nfs/dbraw/zinc/11/20/14/190112014.db2.gz IJUMGVBAXLHKED-UHFFFAOYSA-N 0 3 286.419 3.190 20 30 CGEDHN C[C@H]1C[C@]1(NCCOCCC#N)c1ccc(Cl)cc1 ZINC000339157805 376717346 /nfs/dbraw/zinc/71/73/46/376717346.db2.gz VBBUYSMWZMMZKB-SWLSCSKDSA-N 0 3 278.783 3.095 20 30 CGEDHN C=CCC[C@@H](C)N[C@@H](COC)c1ccc(F)cc1 ZINC000544575016 376747482 /nfs/dbraw/zinc/74/74/82/376747482.db2.gz PJBWZSBJINYMST-DOMZBBRYSA-N 0 3 251.345 3.458 20 30 CGEDHN C=C[C@H](C)NCC1=Cc2cc(Br)ccc2OC1 ZINC000153668270 542113838 /nfs/dbraw/zinc/11/38/38/542113838.db2.gz QPQPRPPNIKXKGA-JTQLQIEISA-N 0 3 294.192 3.389 20 30 CGEDHN C=CCOCCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000555376878 376856366 /nfs/dbraw/zinc/85/63/66/376856366.db2.gz DMMGBCKOBIHQPF-CJNGLKHVSA-N 0 3 263.356 3.411 20 30 CGEDHN N#Cc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000340101813 376915947 /nfs/dbraw/zinc/91/59/47/376915947.db2.gz BJRYIKNJOHHKKO-KRWDZBQOSA-N 0 3 263.344 3.194 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cccc(C#N)c2)c1 ZINC000340333182 377010514 /nfs/dbraw/zinc/01/05/14/377010514.db2.gz SZXKHVPHDHJKSP-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cc[nH]c(=O)c1 ZINC000340451212 377064984 /nfs/dbraw/zinc/06/49/84/377064984.db2.gz XQHZRHCAGVGVPG-QWRGUYRKSA-N 0 3 285.322 3.210 20 30 CGEDHN N#Cc1ccc(NC[C@H](c2cccs2)N2CCCC2)nc1 ZINC000247701922 377236107 /nfs/dbraw/zinc/23/61/07/377236107.db2.gz ACULTCKFXBUQDQ-CQSZACIVSA-N 0 3 298.415 3.264 20 30 CGEDHN C=CCCCCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000562533386 377325973 /nfs/dbraw/zinc/32/59/73/377325973.db2.gz PUGJALBYUDKBDW-INIZCTEOSA-N 0 3 273.424 3.117 20 30 CGEDHN N#CC(C(=O)c1ccc(C2CCC2)cc1)c1ccncn1 ZINC000562316872 377295082 /nfs/dbraw/zinc/29/50/82/377295082.db2.gz IMYHHPXTHNHVQV-OAHLLOKOSA-N 0 3 277.327 3.234 20 30 CGEDHN COCc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443985060 249137648 /nfs/dbraw/zinc/13/76/48/249137648.db2.gz JGIJMFDTOXEHPO-UHFFFAOYSA-N 0 3 280.371 3.303 20 30 CGEDHN C=CCCN(C)Cc1cn(-c2ccccc2)nc1C ZINC000343452433 377983853 /nfs/dbraw/zinc/98/38/53/377983853.db2.gz ZKWPBGSGPLJWJL-UHFFFAOYSA-N 0 3 255.365 3.189 20 30 CGEDHN C=C1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000264440332 377985928 /nfs/dbraw/zinc/98/59/28/377985928.db2.gz BOILFIZDPNXALJ-UHFFFAOYSA-N 0 3 298.430 3.465 20 30 CGEDHN C=CCOc1ccccc1CN(C)CC[C@@H]1CCCO1 ZINC000343500391 377996214 /nfs/dbraw/zinc/99/62/14/377996214.db2.gz WMZDRNXIZWPJHL-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccccc2)C12CCCC2 ZINC000578281781 378053486 /nfs/dbraw/zinc/05/34/86/378053486.db2.gz HLAZAZSVSKPRIM-QZTJIDSGSA-N 0 3 283.415 3.366 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc(C(C)C)n2ccccc12 ZINC000579723230 378188680 /nfs/dbraw/zinc/18/86/80/378188680.db2.gz XRYGDLLUSHAVRM-PBHICJAKSA-N 0 3 299.418 3.281 20 30 CGEDHN CC(C)Oc1ccc2ccccc2c1CNC(=O)C(C)C#N ZINC000345133932 378201287 /nfs/dbraw/zinc/20/12/87/378201287.db2.gz OZSNDWYVXXSKKI-CYBMUJFWSA-N 0 3 296.370 3.403 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccc(CO)o1 ZINC000583309638 378320736 /nfs/dbraw/zinc/32/07/36/378320736.db2.gz NDZVLSYSWUMPGM-HNNXBMFYSA-N 0 3 271.360 3.049 20 30 CGEDHN CCCN(CC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000584002831 378365261 /nfs/dbraw/zinc/36/52/61/378365261.db2.gz MMDLTMVKASRZRY-UHFFFAOYSA-N 0 3 287.407 3.054 20 30 CGEDHN C[C@@H](NCCOC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000346152779 378482433 /nfs/dbraw/zinc/48/24/33/378482433.db2.gz FCLJVYLEZUSRAX-GFCCVEGCSA-N 0 3 276.355 3.307 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000271238924 378485240 /nfs/dbraw/zinc/48/52/40/378485240.db2.gz XNEGWKKIRFDGHM-OOEANYQKSA-N 0 3 290.407 3.225 20 30 CGEDHN C[C@H](N[C@@H](CO)CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271985175 378538266 /nfs/dbraw/zinc/53/82/66/378538266.db2.gz XZZRJIUBVYARPX-SMDDNHRTSA-N 0 3 278.371 3.145 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000346471832 378589160 /nfs/dbraw/zinc/58/91/60/378589160.db2.gz BSXWUOHNADXZOE-LBPRGKRZSA-N 0 3 260.337 3.101 20 30 CGEDHN C=CCCCN(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000638098169 378699385 /nfs/dbraw/zinc/69/93/85/378699385.db2.gz KAWMYLPLQFGYFP-CQSZACIVSA-N 0 3 262.401 3.324 20 30 CGEDHN C=CCCCN(C)[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000638098169 378699381 /nfs/dbraw/zinc/69/93/81/378699381.db2.gz KAWMYLPLQFGYFP-CQSZACIVSA-N 0 3 262.401 3.324 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CCSC2)cc1Cl ZINC000266155258 190235794 /nfs/dbraw/zinc/23/57/94/190235794.db2.gz LPAXOLWHQKEMDM-LBPRGKRZSA-N 0 3 283.824 3.500 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1ccccc1OCC ZINC000348048876 378766933 /nfs/dbraw/zinc/76/69/33/378766933.db2.gz HMGFSUJONHFXPR-AWEZNQCLSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CC(C)(C)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000638454346 378808463 /nfs/dbraw/zinc/80/84/63/378808463.db2.gz GTKQIIAUDHKBIR-HNNXBMFYSA-N 0 3 288.435 3.431 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc(Cl)cn2)CC1 ZINC000266222610 190241703 /nfs/dbraw/zinc/24/17/03/190241703.db2.gz QUTXIMJRCFGHAM-UHFFFAOYSA-N 0 3 265.788 3.187 20 30 CGEDHN CCO[C@H]1C[C@H](NCC2(C#N)CC2)C12CCCCC2 ZINC000348157182 378815636 /nfs/dbraw/zinc/81/56/36/378815636.db2.gz FFESZBHYIFBAQN-KBPBESRZSA-N 0 3 262.397 3.008 20 30 CGEDHN C=CCCCCNCc1cc(OC)ccc1OCOC ZINC000274599230 378858766 /nfs/dbraw/zinc/85/87/66/378858766.db2.gz PJKOGUVENROAQG-UHFFFAOYSA-N 0 3 279.380 3.124 20 30 CGEDHN C=CCCCCNCc1cc(OC)c(OC)cc1OC ZINC000274606628 378860162 /nfs/dbraw/zinc/86/01/62/378860162.db2.gz RTPGOCFVCRLQQA-UHFFFAOYSA-N 0 3 279.380 3.158 20 30 CGEDHN C=CCN(CCc1cnn(CC)c1)Cc1cccs1 ZINC000348277526 378881026 /nfs/dbraw/zinc/88/10/26/378881026.db2.gz RIPGCGGYLWEYNH-UHFFFAOYSA-N 0 3 275.421 3.195 20 30 CGEDHN C=C(C)CCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000274765669 378891104 /nfs/dbraw/zinc/89/11/04/378891104.db2.gz GBZWDANPQBEAFT-ACJLOTCBSA-N 0 3 265.422 3.383 20 30 CGEDHN C=CC[C@H]1N(Cc2c(C)cnn2C)CCCC1(C)C ZINC000348360842 378927731 /nfs/dbraw/zinc/92/77/31/378927731.db2.gz AZKSQEJXALPDMF-OAHLLOKOSA-N 0 3 261.413 3.295 20 30 CGEDHN C=C(C)CCN[C@@H](CO)c1ccc(Br)cc1 ZINC000274856960 378907473 /nfs/dbraw/zinc/90/74/73/378907473.db2.gz SNEWQDCDDMXZOE-ZDUSSCGKSA-N 0 3 284.197 3.038 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNC[C@@H]2CCSC2)cc1 ZINC000278564542 194046875 /nfs/dbraw/zinc/04/68/75/194046875.db2.gz WRHLNIBZBPIPII-ZDUSSCGKSA-N 0 3 299.361 3.400 20 30 CGEDHN CCS[C@H]1CCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000348465677 378959022 /nfs/dbraw/zinc/95/90/22/378959022.db2.gz DPVBDNSLDHPQEM-GJZGRUSLSA-N 0 3 278.396 3.461 20 30 CGEDHN C#CCCCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000266492220 190260954 /nfs/dbraw/zinc/26/09/54/190260954.db2.gz AEJOGYAIMXIATQ-LLVKDONJSA-N 0 3 277.318 3.495 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)CCC)CC1 ZINC000373271180 379252491 /nfs/dbraw/zinc/25/24/91/379252491.db2.gz CQLJZISSOOXIFF-UHFFFAOYSA-N 0 3 266.429 3.067 20 30 CGEDHN COc1ccc(Cl)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349821293 379402740 /nfs/dbraw/zinc/40/27/40/379402740.db2.gz JZDGIQPNSXHCRV-MFKMUULPSA-N 0 3 264.756 3.130 20 30 CGEDHN C=C(C)CN(CC[C@H]1CCOC1=O)Cc1ccccc1 ZINC000279232860 379417027 /nfs/dbraw/zinc/41/70/27/379417027.db2.gz DZOZEQYDZYKVQX-INIZCTEOSA-N 0 3 273.376 3.018 20 30 CGEDHN N#CCCCCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375293300 379491393 /nfs/dbraw/zinc/49/13/93/379491393.db2.gz RCNODKUZSAZKTA-UHFFFAOYSA-N 0 3 293.361 3.171 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H](C)c2ccccc2)n1 ZINC000279727043 379501968 /nfs/dbraw/zinc/50/19/68/379501968.db2.gz MTBJQQGFRRHRLH-MRXNPFEDSA-N 0 3 281.403 3.142 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)C(C)(C)C)CC1 ZINC000375724427 379506959 /nfs/dbraw/zinc/50/69/59/379506959.db2.gz LCVHWENZYJNAOY-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639916756 379643238 /nfs/dbraw/zinc/64/32/38/379643238.db2.gz SCJLXQGKKAREFZ-CYBMUJFWSA-N 0 3 257.736 3.068 20 30 CGEDHN COc1ccc(CN(C)[C@@H](C)CCC#N)cc1OC(F)F ZINC000351610096 379728787 /nfs/dbraw/zinc/72/87/87/379728787.db2.gz UXSANXZOFRPIGO-NSHDSACASA-N 0 3 298.333 3.421 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1c1ccc(C)cc1 ZINC000351828972 379745919 /nfs/dbraw/zinc/74/59/19/379745919.db2.gz KLNIQCKPEDNYOX-SFHVURJKSA-N 0 3 298.430 3.333 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)s1 ZINC000377836195 379748980 /nfs/dbraw/zinc/74/89/80/379748980.db2.gz ZPHYWYFJVBUQGJ-KGLIPLIRSA-N 0 3 290.432 3.258 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000280812414 379798221 /nfs/dbraw/zinc/79/82/21/379798221.db2.gz MHGNHMNVZSEYNX-VBQJREDUSA-N 0 3 275.392 3.332 20 30 CGEDHN C=CC[C@H]1N(Cc2cnc(C)nc2)CCCC1(C)C ZINC000352409181 379801922 /nfs/dbraw/zinc/80/19/22/379801922.db2.gz YBLIZFUUKRKRAR-OAHLLOKOSA-N 0 3 259.397 3.352 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)C1 ZINC000640299024 379767608 /nfs/dbraw/zinc/76/76/08/379767608.db2.gz JPDJQPZAFHCNTG-KGLIPLIRSA-N 0 3 290.407 3.181 20 30 CGEDHN Cc1ccc([C@@H](CNc2ccc(C#N)nc2)N2CCCC2)o1 ZINC000267397490 190327105 /nfs/dbraw/zinc/32/71/05/190327105.db2.gz OTMXIUSWIWQBIB-MRXNPFEDSA-N 0 3 296.374 3.104 20 30 CGEDHN C=C[C@@H](CO)NCc1ccc(-c2ccccc2F)s1 ZINC000352482198 379832322 /nfs/dbraw/zinc/83/23/22/379832322.db2.gz SGGXMBQHLBISJO-NSHDSACASA-N 0 3 277.364 3.191 20 30 CGEDHN C=CCC[C@H](C)NCc1ccn(Cc2ccccc2)n1 ZINC000389701645 379904014 /nfs/dbraw/zinc/90/40/14/379904014.db2.gz XKQZBBFHECDBDA-HNNXBMFYSA-N 0 3 269.392 3.376 20 30 CGEDHN C=CCCC[C@@H](C)n1cc(CNC2CCCC2)nn1 ZINC000641235179 379971280 /nfs/dbraw/zinc/97/12/80/379971280.db2.gz ZLCLHMWIYABTKF-CYBMUJFWSA-N 0 3 262.401 3.228 20 30 CGEDHN COc1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000399355274 379938537 /nfs/dbraw/zinc/93/85/37/379938537.db2.gz CSQQDBWMMIGDRI-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN C[C@H](CCC(C)(C)C)NCc1nc(C#N)cs1 ZINC000352841610 379996905 /nfs/dbraw/zinc/99/69/05/379996905.db2.gz UPMMMMXMSYERLP-SNVBAGLBSA-N 0 3 251.399 3.319 20 30 CGEDHN Cc1ccc(C[C@@H](C)NCc2nc(C#N)cs2)c(C)c1 ZINC000352842134 379996983 /nfs/dbraw/zinc/99/69/83/379996983.db2.gz AYDXWUVTVDUXDD-CYBMUJFWSA-N 0 3 285.416 3.352 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cccc(Cl)c1OCC ZINC000641760540 380083935 /nfs/dbraw/zinc/08/39/35/380083935.db2.gz SYRUVKDVZFSULN-ZDUSSCGKSA-N 0 3 283.799 3.155 20 30 CGEDHN CN(CCC1(C#N)CCCCC1)[C@H]1CCSC1 ZINC000411408617 380145101 /nfs/dbraw/zinc/14/51/01/380145101.db2.gz QFKIMJDPBVWWRO-ZDUSSCGKSA-N 0 3 252.427 3.288 20 30 CGEDHN N#CC1(CCN[C@@H](CO)c2ccccc2)CCCCC1 ZINC000411466543 380147369 /nfs/dbraw/zinc/14/73/69/380147369.db2.gz ZWNOROVQLWYSCO-INIZCTEOSA-N 0 3 272.392 3.174 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268151820 190380996 /nfs/dbraw/zinc/38/09/96/190380996.db2.gz KZZDTBMNLWEFLV-GOSISDBHSA-N 0 3 298.430 3.146 20 30 CGEDHN N#CC1(CCN2CCOCC3(CCC3)C2)CCCCC1 ZINC000411523005 380148648 /nfs/dbraw/zinc/14/86/48/380148648.db2.gz CUHIVJWPCDQFOD-UHFFFAOYSA-N 0 3 276.424 3.353 20 30 CGEDHN C=CCN(CC=C)CCC(=O)N1CCCc2ccccc21 ZINC000411164648 380132302 /nfs/dbraw/zinc/13/23/02/380132302.db2.gz MQFZATRNKVKLBK-UHFFFAOYSA-N 0 3 284.403 3.030 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1cccc(F)c1)CC2 ZINC000353259210 380193926 /nfs/dbraw/zinc/19/39/26/380193926.db2.gz DHHSUSLDZDVOHZ-GOSISDBHSA-N 0 3 296.345 3.353 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc([N+](=O)[O-])cc1 ZINC000414172551 380198557 /nfs/dbraw/zinc/19/85/57/380198557.db2.gz WDFKVYHYDSKSJW-NSHDSACASA-N 0 3 261.325 3.185 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2n[nH]cc2c1 ZINC000353167529 380151860 /nfs/dbraw/zinc/15/18/60/380151860.db2.gz GANUIBZKTITHOC-NSHDSACASA-N 0 3 294.333 3.424 20 30 CGEDHN C=CCCC1(C(=O)Nc2ccc(CN(C)C)cc2)CC1 ZINC000354114144 380332288 /nfs/dbraw/zinc/33/22/88/380332288.db2.gz DCYPCQXGSRTVPR-UHFFFAOYSA-N 0 3 272.392 3.433 20 30 CGEDHN CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354461114 380448307 /nfs/dbraw/zinc/44/83/07/380448307.db2.gz GTMQXODZOWCILY-AWEZNQCLSA-N 0 3 279.343 3.264 20 30 CGEDHN CC(C)(C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354461114 380448313 /nfs/dbraw/zinc/44/83/13/380448313.db2.gz GTMQXODZOWCILY-AWEZNQCLSA-N 0 3 279.343 3.264 20 30 CGEDHN C=CCCC1(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000354559714 380485347 /nfs/dbraw/zinc/48/53/47/380485347.db2.gz BIPBEARJOGFVDC-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)Nc1cccc(CNC)c1 ZINC000415936634 380516469 /nfs/dbraw/zinc/51/64/69/380516469.db2.gz WGTSCUWZLWFIHU-ZDUSSCGKSA-N 0 3 275.396 3.272 20 30 CGEDHN C[C@@H](N[C@H](CCO)C(C)(C)C)c1ccc(C#N)cc1F ZINC000355745333 380767630 /nfs/dbraw/zinc/76/76/30/380767630.db2.gz ZSBQFCHTFXJEPE-IAQYHMDHSA-N 0 3 278.371 3.145 20 30 CGEDHN C=CCC(C)(C)CN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000419164694 380774206 /nfs/dbraw/zinc/77/42/06/380774206.db2.gz AOHAVIJJDXIWRX-HNNXBMFYSA-N 0 3 274.408 3.008 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC[C@@H](Oc3ccccc3)C2)C1 ZINC000419315986 380802280 /nfs/dbraw/zinc/80/22/80/380802280.db2.gz PJQXOBFQGCZPJT-YQQAZPJKSA-N 0 3 270.376 3.222 20 30 CGEDHN N#CCSCCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420950078 380863612 /nfs/dbraw/zinc/86/36/12/380863612.db2.gz PMKGLUUXWISCNR-LLVKDONJSA-N 0 3 280.359 3.298 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](CCC)c1ccccc1 ZINC000357296896 381097555 /nfs/dbraw/zinc/09/75/55/381097555.db2.gz YCHLBXVVNQZRQT-KRWDZBQOSA-N 0 3 286.419 3.318 20 30 CGEDHN CC(C#N)C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000357895107 381285204 /nfs/dbraw/zinc/28/52/04/381285204.db2.gz QZLKLHGEEJJJGT-CQSZACIVSA-N 0 3 294.354 3.008 20 30 CGEDHN C=C(CN[C@@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000358755199 381325574 /nfs/dbraw/zinc/32/55/74/381325574.db2.gz NTFQSRUQKZEBRV-MRXNPFEDSA-N 0 3 267.376 3.101 20 30 CGEDHN C[C@H](CN1CCCCC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358570637 381315951 /nfs/dbraw/zinc/31/59/51/381315951.db2.gz NLFAAKKWABSNAY-ZIAGYGMSSA-N 0 3 289.398 3.222 20 30 CGEDHN C=C(CC)CN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000358621606 381319210 /nfs/dbraw/zinc/31/92/10/381319210.db2.gz XUOZKFNSLOCBBU-CQSZACIVSA-N 0 3 262.401 3.005 20 30 CGEDHN Cn1cc(CN[C@H](c2cccs2)C2CC2)cc1C#N ZINC000359949972 381384384 /nfs/dbraw/zinc/38/43/84/381384384.db2.gz NOABXCNGLFKGOI-HNNXBMFYSA-N 0 3 271.389 3.199 20 30 CGEDHN C=C(CC)CN1CCC(Oc2cc(C)ccn2)CC1 ZINC000360201346 381477963 /nfs/dbraw/zinc/47/79/63/381477963.db2.gz ZEUXKNXJAHWGIP-UHFFFAOYSA-N 0 3 260.381 3.199 20 30 CGEDHN N#CC(C(=O)c1cccnc1)c1nccc2ccccc21 ZINC000361528595 381786809 /nfs/dbraw/zinc/78/68/09/381786809.db2.gz ASNUMBLGIWIIRL-HNNXBMFYSA-N 0 3 273.295 3.120 20 30 CGEDHN CC(C)[C@@H]1CN(CCOc2cccc(C#N)c2)CCS1 ZINC000362384687 381966352 /nfs/dbraw/zinc/96/63/52/381966352.db2.gz JSGOSQOXQZMTAG-INIZCTEOSA-N 0 3 290.432 3.010 20 30 CGEDHN N#Cc1cc(CN(CCO)CC2CCCCC2)ccc1F ZINC000362592540 382070554 /nfs/dbraw/zinc/07/05/54/382070554.db2.gz UDMIFOLUJMSDDC-UHFFFAOYSA-N 0 3 290.382 3.072 20 30 CGEDHN N#Cc1ccncc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000363531997 382230009 /nfs/dbraw/zinc/23/00/09/382230009.db2.gz DEECPTOMJLIWOL-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN CC(=O)N1CC[C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000363786170 382255968 /nfs/dbraw/zinc/25/59/68/382255968.db2.gz FIGGOWXLPMBPTD-UXLLHSPISA-N 0 3 297.402 3.156 20 30 CGEDHN C=CCCCCCN1CCC[C@H](c2noc(C)n2)C1 ZINC000365850035 382295993 /nfs/dbraw/zinc/29/59/93/382295993.db2.gz QVBHZJNSRZHAMA-AWEZNQCLSA-N 0 3 263.385 3.304 20 30 CGEDHN C=CCCCN[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000272899494 542367942 /nfs/dbraw/zinc/36/79/42/542367942.db2.gz CSAYZNSLNYZNNJ-MRXNPFEDSA-N 0 3 255.365 3.065 20 30 CGEDHN CC(C#N)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000347084223 533118010 /nfs/dbraw/zinc/11/80/10/533118010.db2.gz MNXAJEZORQPUKV-GXTWGEPZSA-N 0 3 284.384 3.308 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc2c(s1)CCCC2 ZINC000301763579 542413585 /nfs/dbraw/zinc/41/35/85/542413585.db2.gz YWLRQXHABZXDTP-LBPRGKRZSA-N 0 3 265.422 3.480 20 30 CGEDHN CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCCO1 ZINC000281455670 195246558 /nfs/dbraw/zinc/24/65/58/195246558.db2.gz QVLWVKFIYFCBER-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN C=C(C)CCN[C@H](c1cnn(C)c1)c1ccccc1 ZINC000351751756 542552101 /nfs/dbraw/zinc/55/21/01/542552101.db2.gz KWEKGWOFINRFHT-INIZCTEOSA-N 0 3 255.365 3.065 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000335725479 533236357 /nfs/dbraw/zinc/23/63/57/533236357.db2.gz GUTSBVVIWHVYOO-JGVFFNPUSA-N 0 3 271.147 3.330 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000189815696 130024577 /nfs/dbraw/zinc/02/45/77/130024577.db2.gz QFSIIVUJUMMIES-WBVHZDCISA-N 0 3 274.408 3.008 20 30 CGEDHN Cn1cc(CNCC2(Sc3ccccc3)CC2)cc1C#N ZINC000190991420 130169788 /nfs/dbraw/zinc/16/97/88/130169788.db2.gz OAFFEWMUPRKFNU-UHFFFAOYSA-N 0 3 297.427 3.311 20 30 CGEDHN Cn1cc(CN2CCC[C@H]3CCCC[C@H]32)cc1C#N ZINC000191376098 130228397 /nfs/dbraw/zinc/22/83/97/130228397.db2.gz XTEBYPHOJASZMW-GDBMZVCRSA-N 0 3 257.381 3.051 20 30 CGEDHN CCN(CCNCc1ccc(C#N)cc1)c1cccc(C)c1 ZINC000057567020 392109423 /nfs/dbraw/zinc/10/94/23/392109423.db2.gz RKPBQSZHXBBAIG-UHFFFAOYSA-N 0 3 293.414 3.483 20 30 CGEDHN N#Cc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1F ZINC000361769945 392320062 /nfs/dbraw/zinc/32/00/62/392320062.db2.gz VBOROZKQFWXVAB-KRWDZBQOSA-N 0 3 281.334 3.333 20 30 CGEDHN C#CCCOc1ccc(CN2CC[C@@H](OC)C[C@H]2C)cc1 ZINC000282178862 392284802 /nfs/dbraw/zinc/28/48/02/392284802.db2.gz FNDDVLUSZYUAIA-CRAIPNDOSA-N 0 3 287.403 3.088 20 30 CGEDHN C#CCCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285467165 392325402 /nfs/dbraw/zinc/32/54/02/392325402.db2.gz HFPRQUWDEKDELH-CYBMUJFWSA-N 0 3 272.175 3.030 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](NCc2ccccc2C#N)C1(C)C ZINC000361902338 392358556 /nfs/dbraw/zinc/35/85/56/392358556.db2.gz VPICTZOXKLJZAN-JKSUJKDBSA-N 0 3 272.392 3.240 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](NCc2ccccc2C#N)C1(C)C ZINC000361902337 392358578 /nfs/dbraw/zinc/35/85/78/392358578.db2.gz VPICTZOXKLJZAN-HZPDHXFCSA-N 0 3 272.392 3.240 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000286132502 392377540 /nfs/dbraw/zinc/37/75/40/392377540.db2.gz OCLNVNHCBXFBBI-AWEZNQCLSA-N 0 3 293.407 3.256 20 30 CGEDHN C=CCN(CCCCCOC)Cc1cccc(C#N)c1 ZINC000112534535 392382057 /nfs/dbraw/zinc/38/20/57/392382057.db2.gz IAUCEVSIPYNQSA-UHFFFAOYSA-N 0 3 272.392 3.363 20 30 CGEDHN C#Cc1ccc(CN(CCCOC)Cc2ccncc2)cc1 ZINC000289490070 392422191 /nfs/dbraw/zinc/42/21/91/392422191.db2.gz ROBWLLDXPKSHHS-UHFFFAOYSA-N 0 3 294.398 3.102 20 30 CGEDHN C=C[C@H](CO)N[C@H]1C[C@H](C)c2c1cccc2Br ZINC000289918186 392435991 /nfs/dbraw/zinc/43/59/91/392435991.db2.gz UTZWKTNFJIRLKB-CWSCBRNRSA-N 0 3 296.208 3.134 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000289892906 392436119 /nfs/dbraw/zinc/43/61/19/392436119.db2.gz SQPQKUACFCWNGF-YJBOKZPZSA-N 0 3 297.398 3.463 20 30 CGEDHN C=C[C@H](CO)N[C@@H]1C[C@H](C)c2c1cccc2Br ZINC000289918190 392436800 /nfs/dbraw/zinc/43/68/00/392436800.db2.gz UTZWKTNFJIRLKB-OPQQBVKSSA-N 0 3 296.208 3.134 20 30 CGEDHN C#CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000366963552 392460711 /nfs/dbraw/zinc/46/07/11/392460711.db2.gz QFSJFFMSILDIJW-OAHLLOKOSA-N 0 3 297.320 3.396 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374412307 392678045 /nfs/dbraw/zinc/67/80/45/392678045.db2.gz RIKRKLZEYIKWBD-CVEARBPZSA-N 0 3 289.806 3.050 20 30 CGEDHN COCCN(CCCC(C)(C)C#N)Cc1ccco1 ZINC000174818608 392645924 /nfs/dbraw/zinc/64/59/24/392645924.db2.gz NPJMXWHPWWECII-UHFFFAOYSA-N 0 3 264.369 3.058 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)COc1ccccc1C(C)C ZINC000181245081 392724016 /nfs/dbraw/zinc/72/40/16/392724016.db2.gz SYPGJVVXKBYJOD-HNNXBMFYSA-N 0 3 277.408 3.058 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2cccn2)C1 ZINC000334408474 392725885 /nfs/dbraw/zinc/72/58/85/392725885.db2.gz JCJWAJJRSAEHNX-RHSMWYFYSA-N 0 3 280.375 3.153 20 30 CGEDHN COc1ccc(OCCN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181984742 392740121 /nfs/dbraw/zinc/74/01/21/392740121.db2.gz YCJKOXOBEMIBJJ-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2cccc(F)c2F)CC1 ZINC000183260371 392753888 /nfs/dbraw/zinc/75/38/88/392753888.db2.gz BUWMTINEOCEKGI-LBPRGKRZSA-N 0 3 280.362 3.266 20 30 CGEDHN C=CC[C@@H](C)N[C@H](COC)c1ccc(F)c(F)c1 ZINC000183283800 392756054 /nfs/dbraw/zinc/75/60/54/392756054.db2.gz YPWMUHYCMDSPGW-QMTHXVAHSA-N 0 3 255.308 3.207 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1cccc(O)c1 ZINC000186321701 392782250 /nfs/dbraw/zinc/78/22/50/392782250.db2.gz MRRAADLQXCPICV-CYBMUJFWSA-N 0 3 266.344 3.423 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(Br)c2)C1 ZINC000335620181 392802984 /nfs/dbraw/zinc/80/29/84/392802984.db2.gz OHTDVVFFDFPOLZ-ZWNOBZJWSA-N 0 3 279.181 3.231 20 30 CGEDHN C=CCCCCCN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000519772811 392893453 /nfs/dbraw/zinc/89/34/53/392893453.db2.gz LWAAFINVHIPBIW-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCOCCN(C)[C@H]1CCCc2cc(OC)ccc21 ZINC000338937508 392935472 /nfs/dbraw/zinc/93/54/72/392935472.db2.gz XLPAUJVQNHRXKH-KRWDZBQOSA-N 0 3 275.392 3.207 20 30 CGEDHN C=CCOCCSCCN(C)Cc1ccccc1 ZINC000338567228 392921041 /nfs/dbraw/zinc/92/10/41/392921041.db2.gz WHPQZCMZJYBTNE-UHFFFAOYSA-N 0 3 265.422 3.054 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC)cc1 ZINC000339064205 392943693 /nfs/dbraw/zinc/94/36/93/392943693.db2.gz SVUAARWOJGUNNZ-BJJXKVORSA-N 0 3 258.365 3.428 20 30 CGEDHN CC(C)N(CCC#N)CCCCOc1ccccc1 ZINC000525865530 392949177 /nfs/dbraw/zinc/94/91/77/392949177.db2.gz LZCOUKZUYSPBNK-UHFFFAOYSA-N 0 3 260.381 3.470 20 30 CGEDHN CCCn1nccc1C1CCN([C@H](C)CCC#N)CC1 ZINC000411696243 392983642 /nfs/dbraw/zinc/98/36/42/392983642.db2.gz QFEKQTQIJYRIBL-CQSZACIVSA-N 0 3 274.412 3.165 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411790104 392988726 /nfs/dbraw/zinc/98/87/26/392988726.db2.gz GIRKTSBNWHLPRK-DZGCQCFKSA-N 0 3 287.363 3.466 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)c(C)c1 ZINC000411893950 392991151 /nfs/dbraw/zinc/99/11/51/392991151.db2.gz PHPHGIKBGIJVDG-MOPGFXCFSA-N 0 3 292.382 3.269 20 30 CGEDHN CO[C@](C)([C@@H](C)NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000411978021 392992305 /nfs/dbraw/zinc/99/23/05/392992305.db2.gz YNHAXYWOZRJMGC-CXAGYDPISA-N 0 3 291.822 3.485 20 30 CGEDHN COc1ccc(CN(C)[C@@H](C)CCC#N)cc1Cl ZINC000412038954 392995040 /nfs/dbraw/zinc/99/50/40/392995040.db2.gz JUIKUURKVXTVIU-NSHDSACASA-N 0 3 266.772 3.473 20 30 CGEDHN C=CCN(CC=C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412171710 392997018 /nfs/dbraw/zinc/99/70/18/392997018.db2.gz SSUPVOZJQDKOQN-UHFFFAOYSA-N 0 3 298.430 3.487 20 30 CGEDHN C=C(CC)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412402874 393001275 /nfs/dbraw/zinc/00/12/75/393001275.db2.gz LDHSTSBZMXSPEL-UHFFFAOYSA-N 0 3 286.419 3.369 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000412687929 393006026 /nfs/dbraw/zinc/00/60/26/393006026.db2.gz GKRRMNQBWINQBF-XRGAULLZSA-N 0 3 270.376 3.235 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@]2(C1)CCCOC2 ZINC000342836074 393010604 /nfs/dbraw/zinc/01/06/04/393010604.db2.gz GATMSBLXIORBLE-GOSISDBHSA-N 0 3 287.403 3.254 20 30 CGEDHN C[C@H]1[C@H](Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000343312984 393024669 /nfs/dbraw/zinc/02/46/69/393024669.db2.gz FSLDULMLHCNTIJ-HOCLYGCPSA-N 0 3 254.377 3.243 20 30 CGEDHN CC(C)C[C@@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000466676086 393046475 /nfs/dbraw/zinc/04/64/75/393046475.db2.gz DQZDUULZHUVNNO-KRWDZBQOSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C#N)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000345512890 393056466 /nfs/dbraw/zinc/05/64/66/393056466.db2.gz VONMURDRGWCWAB-RHSMWYFYSA-N 0 3 294.354 3.083 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000345512893 393056781 /nfs/dbraw/zinc/05/67/81/393056781.db2.gz VONMURDRGWCWAB-YOEHRIQHSA-N 0 3 294.354 3.083 20 30 CGEDHN CC(C)SCCNC(=O)C(C#N)CCc1ccccc1 ZINC000345533359 393060061 /nfs/dbraw/zinc/06/00/61/393060061.db2.gz PRJOBFXZQDMGFE-OAHLLOKOSA-N 0 3 290.432 3.017 20 30 CGEDHN C=CCC[C@H](C)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349200795 393141142 /nfs/dbraw/zinc/14/11/42/393141142.db2.gz ZPEMPPRZQTVXRC-LBPRGKRZSA-N 0 3 288.391 3.190 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000351332660 393182318 /nfs/dbraw/zinc/18/23/18/393182318.db2.gz UFIBJLPNLVGODX-ZDUSSCGKSA-N 0 3 282.391 3.435 20 30 CGEDHN C=CCC[C@H](O)CN(CCOC)[C@H](C)c1ccccc1 ZINC000268532191 393201456 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/nfs/dbraw/zinc/89/11/47/393891147.db2.gz OUJLTHORWXWQSM-CABCVRRESA-N 0 3 258.390 3.240 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000449548640 393896067 /nfs/dbraw/zinc/89/60/67/393896067.db2.gz PFJDBFUXNNQLEZ-KGLIPLIRSA-N 0 3 269.747 3.302 20 30 CGEDHN C=C(C)CN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451300577 394043766 /nfs/dbraw/zinc/04/37/66/394043766.db2.gz ATSYOGSYJVVGHV-ZDUSSCGKSA-N 0 3 273.298 3.295 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000452023054 394049675 /nfs/dbraw/zinc/04/96/75/394049675.db2.gz QFRRGZGUWYUDRW-APHBMKBZSA-N 0 3 258.365 3.166 20 30 CGEDHN N#Cc1ccc(NCC2CCN(c3ccncc3)CC2)cc1 ZINC000271502953 135098954 /nfs/dbraw/zinc/09/89/54/135098954.db2.gz XLBLOCNEYBGRNS-UHFFFAOYSA-N 0 3 292.386 3.282 20 30 CGEDHN C=CCN(Cc1ccc(O[C@@H]2CCOC2)cc1)C1CC1 ZINC000667982803 542952931 /nfs/dbraw/zinc/95/29/31/542952931.db2.gz QMCOSSYITUNIOT-QGZVFWFLSA-N 0 3 273.376 3.005 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2c(C3CCC3)cnn2C)C1 ZINC000668494128 543020691 /nfs/dbraw/zinc/02/06/91/543020691.db2.gz WFAGMEMNGZPKQC-CQSZACIVSA-N 0 3 273.424 3.476 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccccc2C(=O)N(C)C)C1 ZINC000668494291 543020761 /nfs/dbraw/zinc/02/07/61/543020761.db2.gz XHWNDHNVLUYYMK-OAHLLOKOSA-N 0 3 286.419 3.177 20 30 CGEDHN C=CCOCCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000668581817 543030700 /nfs/dbraw/zinc/03/07/00/543030700.db2.gz MAGWVOMXXPBTGH-UHFFFAOYSA-N 0 3 299.798 3.127 20 30 CGEDHN C=CCC[C@H](CC)N[C@@H](CO)c1ccc(F)cc1F ZINC000668745915 543055102 /nfs/dbraw/zinc/05/51/02/543055102.db2.gz IEADTNKPLSSYSA-WFASDCNBSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)CN(CCCOC(C)(C)C)Cc1ccc(CO)o1 ZINC000671720849 543180925 /nfs/dbraw/zinc/18/09/25/543180925.db2.gz XVOSJZXSAQPFIA-UHFFFAOYSA-N 0 3 295.423 3.355 20 30 CGEDHN C=C(CC)CN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000649779052 397718841 /nfs/dbraw/zinc/71/88/41/397718841.db2.gz HPVDTIDRBKWAEP-HIFRSBDPSA-N 0 3 289.423 3.414 20 30 CGEDHN C=CCC[C@H](NCCCn1ccnc1C)c1ccco1 ZINC000286279543 397671458 /nfs/dbraw/zinc/67/14/58/397671458.db2.gz VREHRTPNMGWHHZ-HNNXBMFYSA-N 0 3 273.380 3.472 20 30 CGEDHN COCC#CCN(Cc1cccc(Cl)c1)C(C)C ZINC000677132963 543435423 /nfs/dbraw/zinc/43/54/23/543435423.db2.gz BCMXELKFTWXBIG-UHFFFAOYSA-N 0 3 265.784 3.200 20 30 CGEDHN COCC#CCN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000677478934 543450554 /nfs/dbraw/zinc/45/05/54/543450554.db2.gz GIALDEWVOVZDIY-OAHLLOKOSA-N 0 3 263.356 3.152 20 30 CGEDHN COCC#CCNC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000677818407 543467446 /nfs/dbraw/zinc/46/74/46/543467446.db2.gz MEQXHBRRKOTGCP-UHFFFAOYSA-N 0 3 285.309 3.180 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000678791803 543559472 /nfs/dbraw/zinc/55/94/72/543559472.db2.gz DUDVRYXITCAVJI-KBXCAEBGSA-N 0 3 282.387 3.336 20 30 CGEDHN C[C@@H](N[C@@H](CCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000344128761 287053802 /nfs/dbraw/zinc/05/38/02/287053802.db2.gz ITGGWWYGFQDFSR-KDOFPFPSSA-N 0 3 280.371 3.333 20 30 CGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccco3)C2)c(F)c1 ZINC000068991137 165047657 /nfs/dbraw/zinc/04/76/57/165047657.db2.gz BTOZIJLYEYMYKU-AWEZNQCLSA-N 0 3 299.349 3.049 20 30 CGEDHN COc1ccc(CN2CCCCC[C@@H]2C)cc1C#N ZINC000087833435 165188612 /nfs/dbraw/zinc/18/86/12/165188612.db2.gz AHKITABJJQEPOS-ZDUSSCGKSA-N 0 3 258.365 3.331 20 30 CGEDHN C[C@H]1OCC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412219 165263718 /nfs/dbraw/zinc/26/37/18/165263718.db2.gz MAPLBOAMHPNTKN-KUHUBIRLSA-N 0 3 292.382 3.492 20 30 CGEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000093868681 165340763 /nfs/dbraw/zinc/34/07/63/165340763.db2.gz VTBQWUUKUZJMHT-BXUZGUMPSA-N 0 3 264.394 3.257 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C2CCCC2)CC1 ZINC000118392508 287131516 /nfs/dbraw/zinc/13/15/16/287131516.db2.gz PXVMGTXALZYNMD-HNNXBMFYSA-N 0 3 283.419 3.179 20 30 CGEDHN CN(CCOc1ccccc1C#N)Cc1cccs1 ZINC000035717393 172371540 /nfs/dbraw/zinc/37/15/40/172371540.db2.gz YXIHVLYBGFENIP-UHFFFAOYSA-N 0 3 272.373 3.131 20 30 CGEDHN C[C@H]1SCCN(CCCOc2cccc(C#N)c2)[C@H]1C ZINC000127298977 287285119 /nfs/dbraw/zinc/28/51/19/287285119.db2.gz ZOVHINVMHSBWAR-UONOGXRCSA-N 0 3 290.432 3.153 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000078759276 177383576 /nfs/dbraw/zinc/38/35/76/177383576.db2.gz ILZCUANFEPJRBW-MRXNPFEDSA-N 0 3 292.467 3.335 20 30 CGEDHN C=CC[C@H](CO)CNCc1c(Cl)ccc2cccnc21 ZINC000679719198 543657596 /nfs/dbraw/zinc/65/75/96/543657596.db2.gz IYFDJQUXSWLCJS-LBPRGKRZSA-N 0 3 290.794 3.162 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CC#N)CC1 ZINC000334607447 225106233 /nfs/dbraw/zinc/10/62/33/225106233.db2.gz KVHWVTQBWZPABD-CYBMUJFWSA-N 0 3 253.349 3.245 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000680427672 543710961 /nfs/dbraw/zinc/71/09/61/543710961.db2.gz WTJJYHGBHCMSEC-CFAJVAMVSA-N 0 3 257.377 3.331 20 30 CGEDHN COc1cccc(OCCN(C)Cc2cccc(C#N)c2)c1 ZINC000130876258 287365430 /nfs/dbraw/zinc/36/54/30/287365430.db2.gz BYMCMPASGBHFJM-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000684620987 544020783 /nfs/dbraw/zinc/02/07/83/544020783.db2.gz RZAUDEMQVSOYGQ-MRXNPFEDSA-N 0 3 277.795 3.366 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(c2cccc(Cl)c2)CC1 ZINC000684624820 544021994 /nfs/dbraw/zinc/02/19/94/544021994.db2.gz XPHMFJIQPAANGU-INIZCTEOSA-N 0 3 279.811 3.456 20 30 CGEDHN CCC#C[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000685581656 544086422 /nfs/dbraw/zinc/08/64/22/544086422.db2.gz RCEGPFQHXYEQLZ-VUCTXSBTSA-N 0 3 292.373 3.102 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCc3cccnc3)CC2)cc1 ZINC000347963922 226390222 /nfs/dbraw/zinc/39/02/22/226390222.db2.gz WBVNBLGWNZFXAV-UHFFFAOYSA-N 0 3 289.382 3.285 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Br)c(F)c2)C1 ZINC000336625951 227219421 /nfs/dbraw/zinc/21/94/21/227219421.db2.gz QGEFGCXOLLHFSC-MWLCHTKSSA-N 0 3 297.171 3.370 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCCCF)CC2)cc1 ZINC000367134106 227180244 /nfs/dbraw/zinc/18/02/44/227180244.db2.gz UIEWYGYGFQURSZ-UHFFFAOYSA-N 0 3 258.340 3.397 20 30 CGEDHN Cc1cc(C)cc(C2=CCN(C(=O)C(C)C#N)CC2)c1 ZINC000334142275 227332287 /nfs/dbraw/zinc/33/22/87/227332287.db2.gz MXDRRHQBVRCUQP-AWEZNQCLSA-N 0 3 268.360 3.079 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659331116 418976484 /nfs/dbraw/zinc/97/64/84/418976484.db2.gz DANVHINQBALANY-OLMNPRSZSA-N 0 3 298.430 3.472 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000659023305 418958251 /nfs/dbraw/zinc/95/82/51/418958251.db2.gz GNNXYUCCKSIRIG-CQSZACIVSA-N 0 3 287.407 3.274 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654519899 418981559 /nfs/dbraw/zinc/98/15/59/418981559.db2.gz OPXFGIKULCLRNZ-XHSDSOJGSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCN(Cc1ccc(C)c(OC)c1)[C@@H](C)COC ZINC000661239300 419243237 /nfs/dbraw/zinc/24/32/37/419243237.db2.gz DZRSNPKQQOQJKG-AWEZNQCLSA-N 0 3 263.381 3.027 20 30 CGEDHN C=CCN(CCc1nsc2ccccc21)[C@@H](C)COC ZINC000661238886 419243522 /nfs/dbraw/zinc/24/35/22/419243522.db2.gz GZPBQSDUGGVIMM-ZDUSSCGKSA-N 0 3 290.432 3.362 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000661378882 419254996 /nfs/dbraw/zinc/25/49/96/419254996.db2.gz NSNXSBREOFJMOV-KBPBESRZSA-N 0 3 292.448 3.041 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000661378198 419255782 /nfs/dbraw/zinc/25/57/82/419255782.db2.gz ADOOTZQLTADSSP-WBVHZDCISA-N 0 3 286.419 3.104 20 30 CGEDHN C=CCCn1cc(CNCCCCC(C)(C)C)nn1 ZINC000657346911 419256480 /nfs/dbraw/zinc/25/64/80/419256480.db2.gz QPXKODVOIDDBHK-UHFFFAOYSA-N 0 3 264.417 3.160 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661657618 419283473 /nfs/dbraw/zinc/28/34/73/419283473.db2.gz BZTLTDKQGKUZEE-GOEBONIOSA-N 0 3 293.382 3.298 20 30 CGEDHN C=CCOc1cccc(CNC[C@]2(C)CC2(F)F)c1 ZINC000657670656 419325981 /nfs/dbraw/zinc/32/59/81/419325981.db2.gz WFCFUOZZJCCZDF-AWEZNQCLSA-N 0 3 267.319 3.386 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCCO2 ZINC000662087548 419334896 /nfs/dbraw/zinc/33/48/96/419334896.db2.gz CBTHNUIEMZMOMK-GASCZTMLSA-N 0 3 271.360 3.141 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ncc(C)c(OC)c1C ZINC000662083553 419334958 /nfs/dbraw/zinc/33/49/58/419334958.db2.gz FWEXBCILSLKNCM-GASCZTMLSA-N 0 3 272.392 3.390 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000335986980 228175257 /nfs/dbraw/zinc/17/52/57/228175257.db2.gz YQFCGZVWOCKWCK-LLVKDONJSA-N 0 3 299.349 3.173 20 30 CGEDHN C=CCNC(=O)CN(C(C)C)[C@H](CC)c1ccccc1 ZINC000662109670 419336739 /nfs/dbraw/zinc/33/67/39/419336739.db2.gz ZOUGJKACEYEDCL-MRXNPFEDSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CCCC(C)(C)NCc1cnnn1Cc1ccccc1 ZINC000657805944 419360626 /nfs/dbraw/zinc/36/06/26/419360626.db2.gz YCEMWCNZUUUQAK-UHFFFAOYSA-N 0 3 284.407 3.161 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000662631846 419471763 /nfs/dbraw/zinc/47/17/63/419471763.db2.gz ZAZFOZRAGPXPLX-JKSUJKDBSA-N 0 3 278.440 3.099 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCn2ccnc21 ZINC000658061054 419536467 /nfs/dbraw/zinc/53/64/67/419536467.db2.gz SCWXCELPGGNDHT-ILXRZTDVSA-N 0 3 259.397 3.443 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCN(CCC)C1)c1ccco1 ZINC000658287538 419739504 /nfs/dbraw/zinc/73/95/04/419739504.db2.gz ZZYFBNJOHIKGCM-HUUCEWRRSA-N 0 3 262.397 3.361 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297809224 260135497 /nfs/dbraw/zinc/13/54/97/260135497.db2.gz QTJIVNBTKNDPAW-INIZCTEOSA-N 0 3 286.419 3.010 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000299449326 260186489 /nfs/dbraw/zinc/18/64/89/260186489.db2.gz OBMADWJVGIOXRF-UHFFFAOYSA-N 0 3 298.430 3.268 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C)CCC1CCCCC1 ZINC000523817422 260285517 /nfs/dbraw/zinc/28/55/17/260285517.db2.gz ALOFRIZOEYDJOQ-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCCC[C@@H](C)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428695351 260294705 /nfs/dbraw/zinc/29/47/05/260294705.db2.gz WHWRROINIPRABN-OAHLLOKOSA-N 0 3 299.480 3.022 20 30 CGEDHN C=C(C)COCCNCc1ccc(Cl)c(C)c1 ZINC000181005454 260559595 /nfs/dbraw/zinc/55/95/95/260559595.db2.gz FNLKSJTYSIGXHE-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN C=CCCC1(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000354383113 260714426 /nfs/dbraw/zinc/71/44/26/260714426.db2.gz JUVRVFQELHUKBL-UHFFFAOYSA-N 0 3 272.392 3.433 20 30 CGEDHN CC1(C#N)CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000334559732 261433725 /nfs/dbraw/zinc/43/37/25/261433725.db2.gz FFEBVSKWGCXOEW-GFCCVEGCSA-N 0 3 256.340 3.438 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000192730763 262209650 /nfs/dbraw/zinc/20/96/50/262209650.db2.gz DJBCYAZIJIAXJI-NFAWXSAZSA-N 0 3 260.381 3.469 20 30 CGEDHN C=CCOc1cccc(CNCC2(C(F)F)CC2)c1 ZINC000355135309 262348896 /nfs/dbraw/zinc/34/88/96/262348896.db2.gz PKXJLKASLIWAIZ-UHFFFAOYSA-N 0 3 267.319 3.386 20 30 CGEDHN CCC(C)(C)c1ccc(CNC(=O)C(C)C#N)cc1 ZINC000337597200 262461387 /nfs/dbraw/zinc/46/13/87/262461387.db2.gz PLGKDTAZGRVVCC-GFCCVEGCSA-N 0 3 258.365 3.150 20 30 CGEDHN COc1cc([C@H](C)NCCCC#N)ccc1OC(F)F ZINC000271742868 262998986 /nfs/dbraw/zinc/99/89/86/262998986.db2.gz IZUDVVHHGHVTLT-JTQLQIEISA-N 0 3 284.306 3.251 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](CCCO)c1ccccc1 ZINC000271993176 263001120 /nfs/dbraw/zinc/00/11/20/263001120.db2.gz FMIVVBZKNHPPJA-HNNXBMFYSA-N 0 3 260.381 3.030 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000272058818 263001610 /nfs/dbraw/zinc/00/16/10/263001610.db2.gz WFEWBCWPYRWYGQ-UONOGXRCSA-N 0 3 276.380 3.107 20 30 CGEDHN CC(C)(O)CN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000272068241 263001869 /nfs/dbraw/zinc/00/18/69/263001869.db2.gz YIJCSHUXOSPTOB-UHFFFAOYSA-N 0 3 274.408 3.199 20 30 CGEDHN COc1ccc(F)cc1[C@@H](C)NCCC(C)(C)C#N ZINC000272073962 263002097 /nfs/dbraw/zinc/00/20/97/263002097.db2.gz ZXOFWVLTJZGJOH-LLVKDONJSA-N 0 3 264.344 3.425 20 30 CGEDHN COc1cccc(CCCN2CCC(C)(C#N)CC2)c1 ZINC000272574077 263007201 /nfs/dbraw/zinc/00/72/01/263007201.db2.gz NJTYCRDNCSOJRK-UHFFFAOYSA-N 0 3 272.392 3.253 20 30 CGEDHN N#CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000273046314 263011677 /nfs/dbraw/zinc/01/16/77/263011677.db2.gz JLKCRWORWOXCED-UHFFFAOYSA-N 0 3 285.303 3.248 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(C#N)cc1 ZINC000274217313 263022071 /nfs/dbraw/zinc/02/20/71/263022071.db2.gz OYPOHZKTRCNCGF-JGGQBBKZSA-N 0 3 253.349 3.291 20 30 CGEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000274247858 263022444 /nfs/dbraw/zinc/02/24/44/263022444.db2.gz YAGBYRRSPVDNID-DZKIICNBSA-N 0 3 270.376 3.409 20 30 CGEDHN Cc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1[N+](=O)[O-] ZINC000276344124 263036539 /nfs/dbraw/zinc/03/65/39/263036539.db2.gz USVQWHMZQZRYBV-NWDGAFQWSA-N 0 3 261.325 3.246 20 30 CGEDHN CC(C)CC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279544549 263056033 /nfs/dbraw/zinc/05/60/33/263056033.db2.gz VXNNRYCALWCRDJ-WMLDXEAASA-N 0 3 297.402 3.181 20 30 CGEDHN CN(c1ccccc1)c1ccc(CNCCCC#N)cn1 ZINC000280712069 263063975 /nfs/dbraw/zinc/06/39/75/263063975.db2.gz UEXMDBWOXGCWOL-UHFFFAOYSA-N 0 3 280.375 3.243 20 30 CGEDHN CC[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000281576306 263070486 /nfs/dbraw/zinc/07/04/86/263070486.db2.gz ZLEMAUSHVYIFQY-INIZCTEOSA-N 0 3 286.419 3.489 20 30 CGEDHN C[C@H](c1cccnc1)N(C)CCCC1(C#N)CCOCC1 ZINC000281940535 263073009 /nfs/dbraw/zinc/07/30/09/263073009.db2.gz ISFKTUTWLHPVCS-OAHLLOKOSA-N 0 3 287.407 3.175 20 30 CGEDHN CN(CCC#N)c1ccc(CN[C@H]2CSC2(C)C)cc1 ZINC000282591541 263077699 /nfs/dbraw/zinc/07/76/99/263077699.db2.gz CGCFMFPWDUPLSV-HNNXBMFYSA-N 0 3 289.448 3.020 20 30 CGEDHN C=C[C@@H](CC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000340146053 263077718 /nfs/dbraw/zinc/07/77/18/263077718.db2.gz AWMZWHRSKCOLDM-YJBOKZPZSA-N 0 3 298.430 3.041 20 30 CGEDHN N#CCC1(CNCc2cccc(Br)c2)CC1 ZINC000083853912 263081018 /nfs/dbraw/zinc/08/10/18/263081018.db2.gz IWJILSFFEYZINM-UHFFFAOYSA-N 0 3 279.181 3.233 20 30 CGEDHN C[C@]1(CN[C@H]2CCC[C@H](C#N)C2)OCCc2sccc21 ZINC000289735777 263111585 /nfs/dbraw/zinc/11/15/85/263111585.db2.gz KGUYKPYLROPTGY-HEHGZKQESA-N 0 3 290.432 3.208 20 30 CGEDHN N#CCCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292360477 263131486 /nfs/dbraw/zinc/13/14/86/263131486.db2.gz YSLINRJPKYHDCL-CJNGLKHVSA-N 0 3 276.355 3.187 20 30 CGEDHN C[C@H]1C[C@@H](c2cccc(F)c2)N(CCOCCC#N)C1 ZINC000292837203 263135637 /nfs/dbraw/zinc/13/56/37/263135637.db2.gz PFEMHCJGZPPCCA-BBRMVZONSA-N 0 3 276.355 3.139 20 30 CGEDHN C=C(CNCc1cc2c(c(OC)c1)OCO2)c1ccccc1 ZINC000340436109 263148070 /nfs/dbraw/zinc/14/80/70/263148070.db2.gz BQJPRPIJVZNSCO-UHFFFAOYSA-N 0 3 297.354 3.227 20 30 CGEDHN C[C@H](NCCOCCC#N)c1ccc2c(c1)CCCC2 ZINC000293937733 263152719 /nfs/dbraw/zinc/15/27/19/263152719.db2.gz ZLQDFONUTUKCEC-AWEZNQCLSA-N 0 3 272.392 3.146 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(C(F)(F)F)c2)C1 ZINC000295034690 263171168 /nfs/dbraw/zinc/17/11/68/263171168.db2.gz MABBGHXPQSTQKV-ZYHUDNBSSA-N 0 3 283.297 3.272 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(F)(c3ccccn3)CC2)C1 ZINC000295265622 263175472 /nfs/dbraw/zinc/17/54/72/263175472.db2.gz HISYZPQOLNMWRS-KBPBESRZSA-N 0 3 273.355 3.034 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000353581119 263194094 /nfs/dbraw/zinc/19/40/94/263194094.db2.gz YNQVQTVIJPGDQJ-CMPLNLGQSA-N 0 3 287.375 3.241 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@H](COc2ccccc2)C1 ZINC000298826286 263226517 /nfs/dbraw/zinc/22/65/17/263226517.db2.gz GMXBYHSTAYZSNV-HUUCEWRRSA-N 0 3 258.365 3.080 20 30 CGEDHN COc1ccccc1[C@H]1CCN([C@@H](C)CCC#N)C1 ZINC000299277003 263237475 /nfs/dbraw/zinc/23/74/75/263237475.db2.gz MSCWVLPCAPIOIG-KBPBESRZSA-N 0 3 258.365 3.177 20 30 CGEDHN COCC1(C#N)CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000341981042 263369854 /nfs/dbraw/zinc/36/98/54/263369854.db2.gz DQMSFFWPSSBWMQ-UHFFFAOYSA-N 0 3 272.392 3.056 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2ccccc2SC)CC1 ZINC000341997391 263373826 /nfs/dbraw/zinc/37/38/26/263373826.db2.gz SUHXWROKUBPMIS-UHFFFAOYSA-N 0 3 290.432 3.389 20 30 CGEDHN COCC1(C#N)CCN(Cc2cc(C)ccc2C)CC1 ZINC000341995718 263374105 /nfs/dbraw/zinc/37/41/05/263374105.db2.gz RRMYTVBQWLXMSM-UHFFFAOYSA-N 0 3 272.392 3.056 20 30 CGEDHN COCC1(C#N)CCN([C@@H](C)CCc2ccccc2)CC1 ZINC000341988827 263381091 /nfs/dbraw/zinc/38/10/91/263381091.db2.gz KAOZAOXUYPUKKZ-INIZCTEOSA-N 0 3 286.419 3.260 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000334313859 263573897 /nfs/dbraw/zinc/57/38/97/263573897.db2.gz OELQOPKDOJNYOB-PWSUYJOCSA-N 0 3 296.292 3.181 20 30 CGEDHN C=CCN(Cc1cnc(N(C)C)n1C)CC1CCCCC1 ZINC000425337582 264006764 /nfs/dbraw/zinc/00/67/64/264006764.db2.gz NYLSCFKESLXHGV-UHFFFAOYSA-N 0 3 290.455 3.054 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000070754216 264236202 /nfs/dbraw/zinc/23/62/02/264236202.db2.gz MYDVXVLJVYLBMQ-UONOGXRCSA-N 0 3 282.387 3.181 20 30 CGEDHN C=CCC[C@@H](O)CN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000129528498 264323487 /nfs/dbraw/zinc/32/34/87/264323487.db2.gz VGHOFARZSGAICO-USXIJHARSA-N 0 3 291.460 3.492 20 30 CGEDHN C=CCCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000132438108 264388800 /nfs/dbraw/zinc/38/88/00/264388800.db2.gz YKRHQBFEOZUZGX-UHFFFAOYSA-N 0 3 273.376 3.166 20 30 CGEDHN C=CCC[C@@H](NC[C@](C)(O)CCC)c1ccco1 ZINC000285906279 264565156 /nfs/dbraw/zinc/56/51/56/264565156.db2.gz CYVUBXQTFLACID-UKRRQHHQSA-N 0 3 251.370 3.428 20 30 CGEDHN C=CCC[C@H](NC[C@@H]1CCCN(C(C)=O)C1)c1ccco1 ZINC000287276701 264617373 /nfs/dbraw/zinc/61/73/73/264617373.db2.gz CSAAHOCRLSZDNS-HOTGVXAUSA-N 0 3 290.407 3.135 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000334917313 265080358 /nfs/dbraw/zinc/08/03/58/265080358.db2.gz WLOZSMAINJTNMT-VHSXEESVSA-N 0 3 295.180 3.128 20 30 CGEDHN Cn1cc(CN[C@H]2CCc3c2cccc3Cl)cc1C#N ZINC000190896952 270074102 /nfs/dbraw/zinc/07/41/02/270074102.db2.gz QUSPFNFKQUWCGR-INIZCTEOSA-N 0 3 285.778 3.327 20 30 CGEDHN C=CCCCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000514659212 266030994 /nfs/dbraw/zinc/03/09/94/266030994.db2.gz VZTCQIXAARWGTJ-SFHVURJKSA-N 0 3 285.387 3.453 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353260783 266037015 /nfs/dbraw/zinc/03/70/15/266037015.db2.gz GJNXZAHOGOJDMH-OAHLLOKOSA-N 0 3 258.390 3.054 20 30 CGEDHN N#CC1(c2ccccn2)CCN(CCCCCF)CC1 ZINC000368500312 267177553 /nfs/dbraw/zinc/17/75/53/267177553.db2.gz WPKZAWMXHMFWIF-UHFFFAOYSA-N 0 3 275.371 3.079 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000119321461 267321621 /nfs/dbraw/zinc/32/16/21/267321621.db2.gz WQSMQWVFBRDUFN-MNOVXSKESA-N 0 3 258.365 3.141 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000119321353 267321712 /nfs/dbraw/zinc/32/17/12/267321712.db2.gz WQSMQWVFBRDUFN-QWRGUYRKSA-N 0 3 258.365 3.141 20 30 CGEDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1(C#N)CCC1 ZINC000418136026 267367874 /nfs/dbraw/zinc/36/78/74/267367874.db2.gz BSEDYEXTUPEATI-CYBMUJFWSA-N 0 3 287.363 3.199 20 30 CGEDHN COc1ccc(CC[C@H](C)NCC2(C#N)CCC2)cc1O ZINC000418137966 267372418 /nfs/dbraw/zinc/37/24/18/267372418.db2.gz FPFMRYLWNZGQSQ-ZDUSSCGKSA-N 0 3 288.391 3.005 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccccc1)C(C)C ZINC000121413734 267651625 /nfs/dbraw/zinc/65/16/25/267651625.db2.gz KPNCJGMZBWWDKZ-GOSISDBHSA-N 0 3 286.419 3.174 20 30 CGEDHN CC(C)(C#N)CCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000305801632 268001586 /nfs/dbraw/zinc/00/15/86/268001586.db2.gz XPKNSNVXXWJOSP-QGZVFWFLSA-N 0 3 286.419 3.199 20 30 CGEDHN Cc1ccnc(NC[C@@H]2CCN2C2CCCCC2)c1C#N ZINC000528114621 268063688 /nfs/dbraw/zinc/06/36/88/268063688.db2.gz AAXRDTXSVOHXQT-HNNXBMFYSA-N 0 3 284.407 3.081 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(F)c(F)c2)c(F)c1 ZINC000527286555 268233764 /nfs/dbraw/zinc/23/37/64/268233764.db2.gz RIFPUYLXDQQVDG-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000357730191 274293877 /nfs/dbraw/zinc/29/38/77/274293877.db2.gz ADQUMLOBFRIDOV-ZIAGYGMSSA-N 0 3 285.391 3.007 20 30 CGEDHN CC1(C#N)CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000335973965 278171136 /nfs/dbraw/zinc/17/11/36/278171136.db2.gz ATSLKJVFCZKKPI-JKSUJKDBSA-N 0 3 254.377 3.416 20 30 CGEDHN CCN1CCCC[C@@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000302009431 279275609 /nfs/dbraw/zinc/27/56/09/279275609.db2.gz BUIURLALBULFJH-MRXNPFEDSA-N 0 3 285.391 3.047 20 30 CGEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C(F)(F)F ZINC000338380928 279348504 /nfs/dbraw/zinc/34/85/04/279348504.db2.gz PILLQEUYOFTWKE-ZJUUUORDSA-N 0 3 256.271 3.407 20 30 CGEDHN C[C@H](NC[C@H]1CCC(C)(C)O1)c1ccc(C#N)c(F)c1 ZINC000427980524 279483199 /nfs/dbraw/zinc/48/31/99/279483199.db2.gz UEGATGMKYVJNIU-SMDDNHRTSA-N 0 3 276.355 3.306 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1SC ZINC000298538252 279874083 /nfs/dbraw/zinc/87/40/83/279874083.db2.gz STGKXRAWPCIBGF-KSYCFECVSA-N 0 3 290.432 3.118 20 30 CGEDHN Cc1ccc2c(c1)[C@H](NCc1cc(C#N)n(C)c1)CCC2 ZINC000191520567 281120436 /nfs/dbraw/zinc/12/04/36/281120436.db2.gz QLBJSAXYRZVCAQ-GOSISDBHSA-N 0 3 279.387 3.372 20 30 CGEDHN Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000271161678 281366791 /nfs/dbraw/zinc/36/67/91/281366791.db2.gz IWTYWWRWEVOZRD-CQSZACIVSA-N 0 3 266.344 3.449 20 30 CGEDHN COC[C@H](Cc1ccccc1)N[C@@H](C)c1cccc(C#N)c1 ZINC000538395182 288570516 /nfs/dbraw/zinc/57/05/16/288570516.db2.gz FTEPLEOHOGMDLU-KXBFYZLASA-N 0 3 294.398 3.467 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2c2ccccc2)nc1 ZINC000550676546 289081764 /nfs/dbraw/zinc/08/17/64/289081764.db2.gz IYLVQJVOJIVEFJ-MSOLQXFVSA-N 0 3 277.371 3.379 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2Cc2ccccc2)nc1 ZINC000554066316 289254189 /nfs/dbraw/zinc/25/41/89/289254189.db2.gz GKVNXIXOUMAPMB-HKUYNNGSSA-N 0 3 291.398 3.454 20 30 CGEDHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(C#N)c(F)c1 ZINC000554377511 289279016 /nfs/dbraw/zinc/27/90/16/289279016.db2.gz OKDXJZFCWAIOML-VHRDEZTHSA-N 0 3 254.255 3.002 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000289976166 328150092 /nfs/dbraw/zinc/15/00/92/328150092.db2.gz XRRILPJJSHXYEM-WCBMZHEXSA-N 0 3 260.164 3.191 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000274638615 328212260 /nfs/dbraw/zinc/21/22/60/328212260.db2.gz QQIRXGKGONGLJS-YUELXQCFSA-N 0 3 286.375 3.191 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000278697894 328229922 /nfs/dbraw/zinc/22/99/22/328229922.db2.gz SUVLKHZCXODJHC-HIFRSBDPSA-N 0 3 292.386 3.344 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000278697891 328229967 /nfs/dbraw/zinc/22/99/67/328229967.db2.gz SUVLKHZCXODJHC-DZGCQCFKSA-N 0 3 292.386 3.344 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)CCCC#N)c1 ZINC000292593142 328272508 /nfs/dbraw/zinc/27/25/08/328272508.db2.gz LTHGSLJLWVYMIN-UHFFFAOYSA-N 0 3 273.380 3.161 20 30 CGEDHN C[C@H](C1CC1)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000565047969 322057094 /nfs/dbraw/zinc/05/70/94/322057094.db2.gz YQGZHRJLJSVGCJ-LLVKDONJSA-N 0 3 285.347 3.229 20 30 CGEDHN CCC1(CC)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567392033 322161742 /nfs/dbraw/zinc/16/17/42/322161742.db2.gz AWQRUFBWRUIBPI-UHFFFAOYSA-N 0 3 287.363 3.479 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000567989510 322186671 /nfs/dbraw/zinc/18/66/71/322186671.db2.gz JEFQOYXCTHHGPM-HNNXBMFYSA-N 0 3 285.347 3.231 20 30 CGEDHN CCC1(NCc2cccc(C(=O)OC)c2C#N)CCCC1 ZINC000568720194 322219519 /nfs/dbraw/zinc/21/95/19/322219519.db2.gz MUWSXILFOODBSE-UHFFFAOYSA-N 0 3 286.375 3.157 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)nc1 ZINC000568879791 322225948 /nfs/dbraw/zinc/22/59/48/322225948.db2.gz MCRMMHOJDJKAFJ-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)cc1F ZINC000570174268 322267080 /nfs/dbraw/zinc/26/70/80/322267080.db2.gz VNXLYBFLTRGNTI-MRXNPFEDSA-N 0 3 281.334 3.082 20 30 CGEDHN C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1ccc(C#N)cn1 ZINC000571413726 322298207 /nfs/dbraw/zinc/29/82/07/322298207.db2.gz JJBZEADXBFECSX-YJBOKZPZSA-N 0 3 291.398 3.406 20 30 CGEDHN C=CCN(CCn1c(C)csc1=O)CC1CCCCC1 ZINC000112202313 328388940 /nfs/dbraw/zinc/38/89/40/328388940.db2.gz YAJXZEFXXDZWBV-UHFFFAOYSA-N 0 3 294.464 3.287 20 30 CGEDHN CC(C)CCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000583928920 326799746 /nfs/dbraw/zinc/79/97/46/326799746.db2.gz CZBFNHNUYIPFSM-INIZCTEOSA-N 0 3 287.407 3.235 20 30 CGEDHN N#CC1(c2ccccc2)CCC(NCc2ccno2)CC1 ZINC000565774968 327009146 /nfs/dbraw/zinc/00/91/46/327009146.db2.gz AAYNJPRIIWRPPG-UHFFFAOYSA-N 0 3 281.359 3.168 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cc(C)ccc1OC ZINC000090883902 327101492 /nfs/dbraw/zinc/10/14/92/327101492.db2.gz OFFUVNSICVYHST-AWEZNQCLSA-N 0 3 263.381 3.247 20 30 CGEDHN N#CCSCCCN(Cc1ccccc1F)C1CC1 ZINC000074980764 327122491 /nfs/dbraw/zinc/12/24/91/327122491.db2.gz CPJLXGOEDKKBGO-UHFFFAOYSA-N 0 3 278.396 3.437 20 30 CGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NCc1cccs1 ZINC000150902211 327396955 /nfs/dbraw/zinc/39/69/55/327396955.db2.gz NNZFWNQWVCWKAJ-AWEZNQCLSA-N 0 3 294.464 3.431 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc(-c2ccccc2)nc1 ZINC000572604985 327561359 /nfs/dbraw/zinc/56/13/59/327561359.db2.gz YKOLLFJKDJBZTF-UHFFFAOYSA-N 0 3 280.375 3.173 20 30 CGEDHN CC#CCCNCc1cc(Cl)cc2cccnc21 ZINC000360969569 328913392 /nfs/dbraw/zinc/91/33/92/328913392.db2.gz TVFOVENTJPFFMN-UHFFFAOYSA-N 0 3 258.752 3.391 20 30 CGEDHN C=CC[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000173655296 329149810 /nfs/dbraw/zinc/14/98/10/329149810.db2.gz QOBWUKBXNIKMAW-LBPRGKRZSA-N 0 3 286.375 3.189 20 30 CGEDHN C=CC1CCN(Cc2cc(C(=O)OC)oc2CC)CC1 ZINC000177159044 329180670 /nfs/dbraw/zinc/18/06/70/329180670.db2.gz LCZDPYWYFXIGMK-UHFFFAOYSA-N 0 3 277.364 3.027 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2c1cccc2F ZINC000221939649 329215752 /nfs/dbraw/zinc/21/57/52/329215752.db2.gz NDFGOCMFNPNKET-CQSZACIVSA-N 0 3 251.370 3.322 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000180456820 329217241 /nfs/dbraw/zinc/21/72/41/329217241.db2.gz ZDANBDZPVVPXKH-LBPRGKRZSA-N 0 3 282.428 3.462 20 30 CGEDHN C=C(C)CN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181826516 329237708 /nfs/dbraw/zinc/23/77/08/329237708.db2.gz SJLYPAVCJOWCSC-HNNXBMFYSA-N 0 3 261.365 3.235 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000186008570 329335781 /nfs/dbraw/zinc/33/57/81/329335781.db2.gz VPSUKKFNYRSQDI-CVEARBPZSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCSCCNCc1cc(F)cc(Cl)c1 ZINC000230226424 329364511 /nfs/dbraw/zinc/36/45/11/329364511.db2.gz KZYDENCRLVJYQU-UHFFFAOYSA-N 0 3 259.777 3.488 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000321537063 329372525 /nfs/dbraw/zinc/37/25/25/329372525.db2.gz ZMYXUBSKGVIVOF-HOCLYGCPSA-N 0 3 292.379 3.353 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000189015146 329375082 /nfs/dbraw/zinc/37/50/82/329375082.db2.gz VIYZNUQRZWRWSH-MSOLQXFVSA-N 0 3 298.430 3.043 20 30 CGEDHN N#CCCCN1CCC(CN2CCc3ccccc32)CC1 ZINC000111307557 329541039 /nfs/dbraw/zinc/54/10/39/329541039.db2.gz WFIWWRKVUPKUPI-UHFFFAOYSA-N 0 3 283.419 3.065 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1C=CCC1)C(C)C ZINC000046049255 329604073 /nfs/dbraw/zinc/60/40/73/329604073.db2.gz ATRBDQLEJBIETH-SJORKVTESA-N 0 3 290.451 3.158 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccncc1Cl ZINC000421851436 330087748 /nfs/dbraw/zinc/08/77/48/330087748.db2.gz FTKAUYFTFALTCR-HONMWMINSA-N 0 3 266.772 3.119 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1nc(C(C)(C)C)cs1 ZINC000429724594 330126964 /nfs/dbraw/zinc/12/69/64/330126964.db2.gz PYKVNNIJXTZQEF-UHFFFAOYSA-N 0 3 295.496 3.380 20 30 CGEDHN C[C@@H]1C[C@H](C)N1Cc1cccc(OCCCC#N)c1 ZINC000527238692 330240494 /nfs/dbraw/zinc/24/04/94/330240494.db2.gz OZMGINDRSCHYQG-OKILXGFUSA-N 0 3 258.365 3.352 20 30 CGEDHN C=C(CNCc1cncn1C(C)C)c1ccccc1 ZINC000424153289 330300060 /nfs/dbraw/zinc/30/00/60/330300060.db2.gz KACWIYYYULJKKN-UHFFFAOYSA-N 0 3 255.365 3.267 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(Cl)cc1F ZINC000424177813 330317804 /nfs/dbraw/zinc/31/78/04/330317804.db2.gz UXMLJSYKIBEUGM-FZMZJTMJSA-N 0 3 269.747 3.160 20 30 CGEDHN CC(C)Cc1ncc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424188982 330322040 /nfs/dbraw/zinc/32/20/40/330322040.db2.gz CUNRLTSSYLNPLB-NWDGAFQWSA-N 0 3 263.410 3.123 20 30 CGEDHN C=CCCCCCN(C)CC(=O)NCc1ccc(F)cc1 ZINC000532968428 330323356 /nfs/dbraw/zinc/32/33/56/330323356.db2.gz ITHCUEVAYGBTLY-UHFFFAOYSA-N 0 3 292.398 3.120 20 30 CGEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1SC ZINC000424207167 330327804 /nfs/dbraw/zinc/32/78/04/330327804.db2.gz XKRGODLHFOMGFK-WCQYABFASA-N 0 3 276.405 3.199 20 30 CGEDHN C=CCn1cc(CNC2CCC(c3ccccc3)CC2)nn1 ZINC000424294299 330335552 /nfs/dbraw/zinc/33/55/52/330335552.db2.gz KKPXAYXFMPXXGU-UHFFFAOYSA-N 0 3 296.418 3.280 20 30 CGEDHN C=CCn1cc(CN[C@H]2CC[C@](C)(c3ccccc3)C2)nn1 ZINC000424297359 330336391 /nfs/dbraw/zinc/33/63/91/330336391.db2.gz QOBJMRJKSOIBFA-WMZOPIPTSA-N 0 3 296.418 3.064 20 30 CGEDHN C=CCn1cc(CN[C@@H](CCC(C)C)C(C)(C)C)nn1 ZINC000424301418 330337912 /nfs/dbraw/zinc/33/79/12/330337912.db2.gz ZVYMXCBWVUNBPZ-HNNXBMFYSA-N 0 3 278.444 3.405 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1N(C)C ZINC000424330532 330342059 /nfs/dbraw/zinc/34/20/59/330342059.db2.gz QYMQIVZAIABXLK-HZSPNIEDSA-N 0 3 257.381 3.095 20 30 CGEDHN COc1ncc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424330415 330342214 /nfs/dbraw/zinc/34/22/14/330342214.db2.gz QNSKPYCWUSBFOS-JFGNBEQYSA-N 0 3 279.771 3.086 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2ccnc2)cc1 ZINC000424337218 330343631 /nfs/dbraw/zinc/34/36/31/330343631.db2.gz ZFIYBUPNOPAUKL-IJEWVQPXSA-N 0 3 280.375 3.215 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000424543754 330372662 /nfs/dbraw/zinc/37/26/62/330372662.db2.gz YABMLCKXQSBBIK-HNNXBMFYSA-N 0 3 274.408 3.008 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000090451104 330392516 /nfs/dbraw/zinc/39/25/16/330392516.db2.gz PHLZRZRJHVGSAG-ZDUSSCGKSA-N 0 3 280.387 3.135 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000090919513 330397138 /nfs/dbraw/zinc/39/71/38/330397138.db2.gz NUYCXLLZKICEBC-CYBMUJFWSA-N 0 3 261.365 3.158 20 30 CGEDHN C=CCC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000429835584 330555583 /nfs/dbraw/zinc/55/55/83/330555583.db2.gz YQUSETBUVZMHCP-UHFFFAOYSA-N 0 3 260.381 3.289 20 30 CGEDHN C=CCN(CC=C)CCC(=O)Nc1cccc(F)c1C ZINC000434673595 330642967 /nfs/dbraw/zinc/64/29/67/330642967.db2.gz DTHCRKHOTVNZEW-UHFFFAOYSA-N 0 3 276.355 3.137 20 30 CGEDHN CCOCc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442705159 330779889 /nfs/dbraw/zinc/77/98/89/330779889.db2.gz AROLEIHTHKFQDQ-BBRMVZONSA-N 0 3 258.365 3.005 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)[C@]2(C#N)C[C@@H]2C)c1 ZINC000448674289 330781152 /nfs/dbraw/zinc/78/11/52/330781152.db2.gz FPXTWFQANCLLER-GUYCJALGSA-N 0 3 285.391 3.017 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000442780895 330782574 /nfs/dbraw/zinc/78/25/74/330782574.db2.gz HIQMJFCKAFHQBI-XBVQOTNRSA-N 0 3 270.376 3.189 20 30 CGEDHN C=CC[C@H](CC)NCc1ncc(CSC)s1 ZINC000293146278 330814974 /nfs/dbraw/zinc/81/49/74/330814974.db2.gz DIMQNLAUQALCPZ-JTQLQIEISA-N 0 3 256.440 3.450 20 30 CGEDHN C=CC[C@H](CO)CNCc1cc(Cl)sc1Cl ZINC000449204141 330906060 /nfs/dbraw/zinc/90/60/60/330906060.db2.gz LHADTAZRCOGEJF-QMMMGPOBSA-N 0 3 280.220 3.329 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000449248969 330909796 /nfs/dbraw/zinc/90/97/96/330909796.db2.gz KGWTVXACGNOTAL-DOMZBBRYSA-N 0 3 278.371 3.077 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C)cc(Cl)c1 ZINC000449519383 330933358 /nfs/dbraw/zinc/93/33/58/330933358.db2.gz MEOAXPREQRQCTQ-KGLIPLIRSA-N 0 3 251.757 3.082 20 30 CGEDHN CCCCO[C@@H]1C[C@H](NCC2(C#N)CCC2)C1(C)C ZINC000450968273 331009160 /nfs/dbraw/zinc/00/91/60/331009160.db2.gz JNYBPNDDDWJHFK-UONOGXRCSA-N 0 3 264.413 3.254 20 30 CGEDHN C=CCC1(C(=O)N(C)CC2(N(C)C)CCC2)CCCCC1 ZINC000451016777 331011852 /nfs/dbraw/zinc/01/18/52/331011852.db2.gz SQKCNQXFSFJUFZ-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCN1CC2(CCCC2)N(CCC=C)C[C@@H]1C ZINC000451346383 331025025 /nfs/dbraw/zinc/02/50/25/331025025.db2.gz UKDJGHRKGOKWII-INIZCTEOSA-N 0 3 262.441 3.458 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(Cl)c1 ZINC000451610769 331036889 /nfs/dbraw/zinc/03/68/89/331036889.db2.gz ZOJXFGNYACTBGH-GDLCADMTSA-N 0 3 251.757 3.334 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000451670860 331038252 /nfs/dbraw/zinc/03/82/52/331038252.db2.gz DLCILWOAFFYXNL-UONOGXRCSA-N 0 3 292.423 3.427 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000451670535 331038282 /nfs/dbraw/zinc/03/82/82/331038282.db2.gz DFGNQOVUYCAWLG-STQMWFEESA-N 0 3 278.396 3.037 20 30 CGEDHN Cc1cc(F)ccc1[C@H]1CCCN1CCOCCC#N ZINC000451985442 331049292 /nfs/dbraw/zinc/04/92/92/331049292.db2.gz IFMIHINSAFUDFM-MRXNPFEDSA-N 0 3 276.355 3.201 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc2c(c1)CCC2 ZINC000163512004 331049454 /nfs/dbraw/zinc/04/94/54/331049454.db2.gz XNSXGNVKSXKWHZ-CQSZACIVSA-N 0 3 259.393 3.419 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OC ZINC000453346434 331120104 /nfs/dbraw/zinc/12/01/04/331120104.db2.gz ICKWYAHMXSXXNU-YPMHNXCESA-N 0 3 283.799 3.326 20 30 CGEDHN C=CCC[C@H](CO)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000453352016 331120910 /nfs/dbraw/zinc/12/09/10/331120910.db2.gz KNWLEYJDTOAKIN-ZBFHGGJFSA-N 0 3 287.403 3.350 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000453369339 331123718 /nfs/dbraw/zinc/12/37/18/331123718.db2.gz QQYRPTZVRCHJAX-CYBMUJFWSA-N 0 3 260.381 3.005 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)c(F)c1 ZINC000453372528 331124242 /nfs/dbraw/zinc/12/42/42/331124242.db2.gz VXKYWLCBOGMAAC-KMUNFCNLSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)cc1Cl ZINC000453372794 331124249 /nfs/dbraw/zinc/12/42/49/331124249.db2.gz VQQNCBRIJUUFES-FZZIBODNSA-N 0 3 269.747 3.473 20 30 CGEDHN CC(C)[C@@H](C(=O)Nc1cccc(CC#N)c1)N1CCCCC1 ZINC000456733179 331199523 /nfs/dbraw/zinc/19/95/23/331199523.db2.gz NXDDXQUILPUGIS-KRWDZBQOSA-N 0 3 299.418 3.202 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NC2(CC)CCCC2)CC1 ZINC000458322596 331248630 /nfs/dbraw/zinc/24/86/30/331248630.db2.gz ONWXVXIBNGECDV-UHFFFAOYSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CCC(C)(C)CNC(=O)N(CCC)CCN1CCCC1 ZINC000458815862 331261320 /nfs/dbraw/zinc/26/13/20/331261320.db2.gz ZPPDTRVJXURYEE-UHFFFAOYSA-N 0 3 295.471 3.106 20 30 CGEDHN CC(C)(CC#N)CNCc1c[nH]c(-c2ccccc2)n1 ZINC000459728304 331296278 /nfs/dbraw/zinc/29/62/78/331296278.db2.gz IOBNKTNFFOAUEO-UHFFFAOYSA-N 0 3 268.364 3.106 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc(-c2ccccc2)[nH]1 ZINC000459728304 331296279 /nfs/dbraw/zinc/29/62/79/331296279.db2.gz IOBNKTNFFOAUEO-UHFFFAOYSA-N 0 3 268.364 3.106 20 30 CGEDHN C=CCOc1ccccc1CNC/C=C\c1ccncc1 ZINC000487291683 331963750 /nfs/dbraw/zinc/96/37/50/331963750.db2.gz VZIUTJQWBRKSHE-WAYWQWQTSA-N 0 3 280.371 3.449 20 30 CGEDHN C=CC[C@H]1N(C(=O)CC2CCN(C)CC2)CCCC1(C)C ZINC000487521496 331972281 /nfs/dbraw/zinc/97/22/81/331972281.db2.gz WAKCDZAWTGLJJU-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCOc1ccc(CN2CCSC[C@H](C)C2)cc1 ZINC000488398548 332004026 /nfs/dbraw/zinc/00/40/26/332004026.db2.gz QDAUBVVEGJOTCE-CQSZACIVSA-N 0 3 277.433 3.436 20 30 CGEDHN C#C[C@H](N[C@H](C)[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000491386214 332202252 /nfs/dbraw/zinc/20/22/52/332202252.db2.gz UNFKJJJKNODNCT-INWMFGNUSA-N 0 3 277.795 3.419 20 30 CGEDHN C#CCN(CCc1cncs1)[C@@H]1CCc2ccccc21 ZINC000491651799 332264971 /nfs/dbraw/zinc/26/49/71/332264971.db2.gz JEOIZVQDEWVBCB-QGZVFWFLSA-N 0 3 282.412 3.308 20 30 CGEDHN C#C[C@H](NCC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000491688982 332286488 /nfs/dbraw/zinc/28/64/88/332286488.db2.gz GAAVSRSSWWXZAG-DOMZBBRYSA-N 0 3 263.768 3.031 20 30 CGEDHN C=C(C)COc1cc(CNCCC#CC)ccc1OC ZINC000499217300 332582761 /nfs/dbraw/zinc/58/27/61/332582761.db2.gz VDXBINCQKSQDTD-UHFFFAOYSA-N 0 3 273.376 3.153 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000248823322 334318516 /nfs/dbraw/zinc/31/85/16/334318516.db2.gz WJCPVIMHFFNRMW-RYUDHWBXSA-N 0 3 279.346 3.224 20 30 CGEDHN C[C@H]1CSC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000512204512 332957759 /nfs/dbraw/zinc/95/77/59/332957759.db2.gz URRKYUZUOFUPAV-FZMZJTMJSA-N 0 3 265.809 3.033 20 30 CGEDHN C=C(CC)CN1CCCN(c2ccccc2F)CC1 ZINC000513368039 333015428 /nfs/dbraw/zinc/01/54/28/333015428.db2.gz TWIWPXQDCUJRTA-UHFFFAOYSA-N 0 3 262.372 3.304 20 30 CGEDHN C=CCN1CCC(NC(=O)NC(C)(C)CC(C)(C)C)CC1 ZINC000176598510 333044081 /nfs/dbraw/zinc/04/40/81/333044081.db2.gz QGIZYLOHKOHROD-UHFFFAOYSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CCOc1cccc(CNCCN(C)c2ccccc2)c1 ZINC000520954768 333108418 /nfs/dbraw/zinc/10/84/18/333108418.db2.gz KSKDLAXEYUOZNW-UHFFFAOYSA-N 0 3 296.414 3.477 20 30 CGEDHN C=CCN1CCC(NC(=O)c2c(C)oc3ccccc32)CC1 ZINC000185488056 333141536 /nfs/dbraw/zinc/14/15/36/333141536.db2.gz WOLXBTGSICIFKW-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN CS[C@@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000192120756 333230031 /nfs/dbraw/zinc/23/00/31/333230031.db2.gz SCVMHAXFDIEISL-MRXNPFEDSA-N 0 3 259.418 3.256 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cccc3c2CCC3)n1 ZINC000193595047 333253899 /nfs/dbraw/zinc/25/38/99/333253899.db2.gz YHLWNDCWEOURSQ-CQSZACIVSA-N 0 3 282.368 3.430 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000193652672 333254730 /nfs/dbraw/zinc/25/47/30/333254730.db2.gz BPJWKCQLUIZWAS-QILLFSRXSA-N 0 3 288.435 3.396 20 30 CGEDHN C=C(C)COCCNCc1ccc(OC(F)(F)F)cc1 ZINC000125785769 333573207 /nfs/dbraw/zinc/57/32/07/333573207.db2.gz BQVHOXZHXHUSKC-UHFFFAOYSA-N 0 3 289.297 3.268 20 30 CGEDHN CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000174408311 335153891 /nfs/dbraw/zinc/15/38/91/335153891.db2.gz ALGFDJZPHQCKQW-DOMZBBRYSA-N 0 3 276.380 3.082 20 30 CGEDHN N#Cc1ccc(CNCCc2cc3ccccc3o2)o1 ZINC000174419350 335154163 /nfs/dbraw/zinc/15/41/63/335154163.db2.gz FJBHLJWUWQUELL-UHFFFAOYSA-N 0 3 266.300 3.230 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000174603206 335160233 /nfs/dbraw/zinc/16/02/33/335160233.db2.gz INZFQYYUBPFQFC-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000542578460 333833097 /nfs/dbraw/zinc/83/30/97/333833097.db2.gz JKGHUWUAZMFZKS-UKRRQHHQSA-N 0 3 277.795 3.096 20 30 CGEDHN CCOc1ccccc1CN1CCC(CC#N)CC1 ZINC000542853097 333845758 /nfs/dbraw/zinc/84/57/58/333845758.db2.gz DFQMIUALQVSTRV-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN COc1cccc([C@@H](C)N2CCC(CC#N)CC2)c1 ZINC000542878679 333847470 /nfs/dbraw/zinc/84/74/70/333847470.db2.gz HAWWFSKFYZVYGM-CYBMUJFWSA-N 0 3 258.365 3.382 20 30 CGEDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC#N)CC1 ZINC000543621283 333885156 /nfs/dbraw/zinc/88/51/56/333885156.db2.gz KPLCJLRJIANVBP-UHFFFAOYSA-N 0 3 273.336 3.029 20 30 CGEDHN C=CCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000152644882 334099525 /nfs/dbraw/zinc/09/95/25/334099525.db2.gz ODGQXSGFGLHTPS-GFCCVEGCSA-N 0 3 262.422 3.387 20 30 CGEDHN C=CCOc1ccccc1CNCC1(O)CCCCCC1 ZINC000079642184 334159197 /nfs/dbraw/zinc/15/91/97/334159197.db2.gz FTYJRMTZJJQFTN-UHFFFAOYSA-N 0 3 289.419 3.426 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1CCCC ZINC000549957743 334210347 /nfs/dbraw/zinc/21/03/47/334210347.db2.gz HGGAJVNNISNZQB-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN CC[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000246280426 334248294 /nfs/dbraw/zinc/24/82/94/334248294.db2.gz SWBKGBPFKBMPIA-HZPDHXFCSA-N 0 3 299.418 3.054 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](O)CCC(C)C)cc1 ZINC000566129202 334626280 /nfs/dbraw/zinc/62/62/80/334626280.db2.gz AHIGGGLDAOGNNT-INIZCTEOSA-N 0 3 277.408 3.138 20 30 CGEDHN CC(C)Cn1cc(CN2CCC(CCC#N)CC2)cn1 ZINC000567906058 334774334 /nfs/dbraw/zinc/77/43/34/334774334.db2.gz DNPOFESFDHMYNM-UHFFFAOYSA-N 0 3 274.412 3.055 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)cs2)C12CCCC2 ZINC000177707932 335380452 /nfs/dbraw/zinc/38/04/52/335380452.db2.gz LMSZRXOREIFUMJ-GJZGRUSLSA-N 0 3 290.432 3.447 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000383628000 336115778 /nfs/dbraw/zinc/11/57/78/336115778.db2.gz XMUNMULODHQHJS-LLVKDONJSA-N 0 3 289.297 3.438 20 30 CGEDHN C=CCCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000581984594 336184757 /nfs/dbraw/zinc/18/47/57/336184757.db2.gz OTBQISCKYJMCJF-SJORKVTESA-N 0 3 277.383 3.143 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000335986772 534284293 /nfs/dbraw/zinc/28/42/93/534284293.db2.gz NYTMLFIBHGNNNB-GHMZBOCLSA-N 0 3 270.307 3.316 20 30 CGEDHN Cc1nc(CNC2CCC(C)(C#N)CC2)sc1C ZINC000336214303 534384745 /nfs/dbraw/zinc/38/47/45/534384745.db2.gz FTJTYIWGWKERNU-UHFFFAOYSA-N 0 3 263.410 3.322 20 30 CGEDHN Cc1ccc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccc2n1 ZINC000335286025 534470541 /nfs/dbraw/zinc/47/05/41/534470541.db2.gz LZUZHGFDSFBPAL-XJKSGUPXSA-N 0 3 265.360 3.325 20 30 CGEDHN Cc1ccc2[nH]c(CNCC(C)(C)CCC#N)nc2c1 ZINC000344726538 534502287 /nfs/dbraw/zinc/50/22/87/534502287.db2.gz IWJJDKMCXZNGNL-UHFFFAOYSA-N 0 3 270.380 3.291 20 30 CGEDHN Cc1ccc2nc(CNCC(C)(C)CCC#N)[nH]c2c1 ZINC000344726538 534502292 /nfs/dbraw/zinc/50/22/92/534502292.db2.gz IWJJDKMCXZNGNL-UHFFFAOYSA-N 0 3 270.380 3.291 20 30 CGEDHN N#CC1(F)CCN(CCCCOc2ccccc2)CC1 ZINC000352481309 534567789 /nfs/dbraw/zinc/56/77/89/534567789.db2.gz FDNNHHXMJXULMM-UHFFFAOYSA-N 0 3 276.355 3.173 20 30 CGEDHN CN1CCCc2cc(CNCc3cccc(C#N)c3)ccc21 ZINC000058477135 523863112 /nfs/dbraw/zinc/86/31/12/523863112.db2.gz ZUOOLLBIIPNCML-UHFFFAOYSA-N 0 3 291.398 3.230 20 30 CGEDHN C=CCN(CC[C@@H](C)F)Cc1ccc(OC)cc1 ZINC000351909568 526307402 /nfs/dbraw/zinc/30/74/02/526307402.db2.gz OMSVIOLYJYUWSS-CYBMUJFWSA-N 0 3 251.345 3.431 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](C)CC ZINC000352799827 526558519 /nfs/dbraw/zinc/55/85/19/526558519.db2.gz MXKFYDOBAMJUOQ-ZDUSSCGKSA-N 0 3 251.370 3.196 20 30 CGEDHN N#Cc1cc(NCCN2CCCC2)ccc1C(F)(F)F ZINC000163993512 526571622 /nfs/dbraw/zinc/57/16/22/526571622.db2.gz NAYCXVCCSRXWDQ-UHFFFAOYSA-N 0 3 283.297 3.085 20 30 CGEDHN C=C(C)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764966 526606237 /nfs/dbraw/zinc/60/62/37/526606237.db2.gz BUVOZGJTQAVEAA-UHFFFAOYSA-N 0 3 255.365 3.318 20 30 CGEDHN C=C(C)COCCNCc1cscc1C(F)(F)F ZINC000352803130 526655093 /nfs/dbraw/zinc/65/50/93/526655093.db2.gz VCVZJUUQNIKWKW-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN C=CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000353584814 526980473 /nfs/dbraw/zinc/98/04/73/526980473.db2.gz LMQRSUQNHZNYPP-UHFFFAOYSA-N 0 3 285.366 3.409 20 30 CGEDHN CC(C)(CCC#N)CNCc1c(F)cccc1F ZINC000344831671 526998698 /nfs/dbraw/zinc/99/86/98/526998698.db2.gz WWRQBIOYCSJSPE-UHFFFAOYSA-N 0 3 252.308 3.384 20 30 CGEDHN C=CCCCN1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000344601779 527198605 /nfs/dbraw/zinc/19/86/05/527198605.db2.gz NXBKVIZTNRDUSB-UHFFFAOYSA-N 0 3 288.435 3.169 20 30 CGEDHN C=CCC[C@@H](NC[C@H]1CCCN1CC)c1ccco1 ZINC000353443999 527448768 /nfs/dbraw/zinc/44/87/68/527448768.db2.gz FEBQCSOXNZMCOB-HUUCEWRRSA-N 0 3 262.397 3.361 20 30 CGEDHN C=CCC[C@H](NCCc1c(C)nn(C)c1C)c1ccco1 ZINC000353389393 527484349 /nfs/dbraw/zinc/48/43/49/527484349.db2.gz VTWJJOAIRKMQJK-INIZCTEOSA-N 0 3 287.407 3.470 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000353571608 527594311 /nfs/dbraw/zinc/59/43/11/527594311.db2.gz WAGJROXPSPBSTO-BLLLJJGKSA-N 0 3 271.360 3.046 20 30 CGEDHN CC(C)[C@@H](NCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000347665365 528586063 /nfs/dbraw/zinc/58/60/63/528586063.db2.gz DIFGWKYFHDOCPL-OAHLLOKOSA-N 0 3 299.422 3.346 20 30 CGEDHN CCC1(CC)[C@@H](NCc2cccc(C#N)c2F)C[C@@H]1OC ZINC000358998299 529094944 /nfs/dbraw/zinc/09/49/44/529094944.db2.gz HHTAEBWFPXTWIT-GJZGRUSLSA-N 0 3 290.382 3.381 20 30 CGEDHN CC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)N1CCCC1 ZINC000358567859 529370704 /nfs/dbraw/zinc/37/07/04/529370704.db2.gz KCJIIFKMNZQZJW-UKRRQHHQSA-N 0 3 289.398 3.222 20 30 CGEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000111255074 536123289 /nfs/dbraw/zinc/12/32/89/536123289.db2.gz BAORNBQOBFONAW-JQWIXIFHSA-N 0 3 291.395 3.073 20 30 CGEDHN CCCCCCCCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000729627692 571925842 /nfs/dbraw/zinc/92/58/42/571925842.db2.gz PHWZTSCINGVPSK-OAHLLOKOSA-N 0 3 268.445 3.290 20 30 CGEDHN C[C@@H]1C[C@@H](/N=C/c2c([O-])ccc3ccccc32)CC[N@@H+]1C ZINC000741463322 572412487 /nfs/dbraw/zinc/41/24/87/572412487.db2.gz DCHNZJHDLANYMT-QYCYQRASSA-N 0 3 282.387 3.447 20 30 CGEDHN C[C@@H]1C[C@@H](/N=C/c2c([O-])ccc3ccccc32)CC[N@H+]1C ZINC000741463322 572412490 /nfs/dbraw/zinc/41/24/90/572412490.db2.gz DCHNZJHDLANYMT-QYCYQRASSA-N 0 3 282.387 3.447 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@]2(C)CCOC2)c([O-])c1 ZINC000733080896 572506937 /nfs/dbraw/zinc/50/69/37/572506937.db2.gz FPDNPSGSLRBJLQ-AUUUKSDWSA-N 0 3 290.407 3.084 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)o1)c1cccc(F)c1 ZINC000742369346 572568750 /nfs/dbraw/zinc/56/87/50/572568750.db2.gz VYRZVFUZAUYAKV-NSHDSACASA-N 0 3 258.296 3.184 20 30 CGEDHN N#CCCCOc1cccc(CNCCOC2CCC2)c1 ZINC000742385786 572573561 /nfs/dbraw/zinc/57/35/61/572573561.db2.gz UPQJNQQQENXIDV-UHFFFAOYSA-N 0 3 288.391 3.028 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)C(C)(C)C)CC1 ZINC000734531277 572664304 /nfs/dbraw/zinc/66/43/04/572664304.db2.gz ZVIUKJFVDBLBJZ-AWEZNQCLSA-N 0 3 295.471 3.008 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)C(C)C)nc21 ZINC000735789254 572740049 /nfs/dbraw/zinc/74/00/49/572740049.db2.gz LCBFPGJOXGFIGF-NEPJUHHUSA-N 0 3 269.348 3.340 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)C(C)C)[nH]c21 ZINC000735789254 572740051 /nfs/dbraw/zinc/74/00/51/572740051.db2.gz LCBFPGJOXGFIGF-NEPJUHHUSA-N 0 3 269.348 3.340 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000736673760 572804887 /nfs/dbraw/zinc/80/48/87/572804887.db2.gz YJQATQYYLDOIQH-FRRDWIJNSA-N 0 3 250.386 3.115 20 30 CGEDHN C=CCCOc1ccccc1-c1ccc(C2(O)CNC2)cc1 ZINC000899323923 620638394 /nfs/dbraw/zinc/63/83/94/620638394.db2.gz KIWFIHNORABKNQ-UHFFFAOYSA-N 0 3 295.382 3.099 20 30 CGEDHN C=CCCC[C@@H](C)[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823894063 608383778 /nfs/dbraw/zinc/38/37/78/608383778.db2.gz GNVCJBFSRKNNEF-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@@H](C)[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823894063 608383772 /nfs/dbraw/zinc/38/37/72/608383772.db2.gz GNVCJBFSRKNNEF-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@@H](C)[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823894063 608383774 /nfs/dbraw/zinc/38/37/74/608383774.db2.gz GNVCJBFSRKNNEF-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@@H](C)[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823894063 608383777 /nfs/dbraw/zinc/38/37/77/608383777.db2.gz GNVCJBFSRKNNEF-CYBMUJFWSA-N 0 3 285.395 3.043 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(Br)c(F)c1 ZINC000229899236 623177026 /nfs/dbraw/zinc/17/70/26/623177026.db2.gz WRJAUIWDKXCRRC-SNVBAGLBSA-N 0 3 270.145 3.090 20 30 CGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1occc1C ZINC000968750179 613307370 /nfs/dbraw/zinc/30/73/70/613307370.db2.gz GSEXWNNYFOPGLD-HNNXBMFYSA-N 0 3 290.407 3.139 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(C)CCCCC2)CC1 ZINC000981867674 613491954 /nfs/dbraw/zinc/49/19/54/613491954.db2.gz DAYXYFRZKBPYRD-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000980565994 613612871 /nfs/dbraw/zinc/61/28/71/613612871.db2.gz GVDFKVDMGWOMHH-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000972727107 613621242 /nfs/dbraw/zinc/62/12/42/613621242.db2.gz AKYPYQDWFAYJNA-GOSISDBHSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC000972471221 613630812 /nfs/dbraw/zinc/63/08/12/613630812.db2.gz CJVOAZSOVDGNQO-IRXDYDNUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000971640786 613636961 /nfs/dbraw/zinc/63/69/61/613636961.db2.gz IRLGQFUFVPZWKD-SFHVURJKSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)c3cccc(C)c3C)C2)C1 ZINC000982136513 613681984 /nfs/dbraw/zinc/68/19/84/613681984.db2.gz MLVGRECSPPSUNY-UHFFFAOYSA-N 0 3 298.430 3.027 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC000969014357 613683053 /nfs/dbraw/zinc/68/30/53/613683053.db2.gz YRZJCANTZBAELF-QGZVFWFLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC000969014375 613683477 /nfs/dbraw/zinc/68/34/77/613683477.db2.gz ZHTKQAITFLIHQD-UYSNPLJNSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000968946809 613686066 /nfs/dbraw/zinc/68/60/66/613686066.db2.gz IHESAXFGHFFNPE-ARFHVFGLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccoc1CC ZINC000968837377 613687076 /nfs/dbraw/zinc/68/70/76/613687076.db2.gz NADGXZRCDLOPFU-AWEZNQCLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C)CCCC1 ZINC000960293781 613870857 /nfs/dbraw/zinc/87/08/57/613870857.db2.gz UDYBBNRRHMBDMS-IAGOWNOFSA-N 0 3 298.430 3.125 20 30 CGEDHN C=C(C)c1cccc(NC(=S)NC2CCN(C)CC2)c1 ZINC000899706737 620722423 /nfs/dbraw/zinc/72/24/23/620722423.db2.gz SQJIBEWFINFWAC-UHFFFAOYSA-N 0 3 289.448 3.100 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001021080653 617895528 /nfs/dbraw/zinc/89/55/28/617895528.db2.gz OHAFWFVYZGPJGM-DZKIICNBSA-N 0 3 296.842 3.112 20 30 CGEDHN CCCCCCCC[C@H](N)c1nc([C@@H]2CCCN2)no1 ZINC000900009794 620745026 /nfs/dbraw/zinc/74/50/26/620745026.db2.gz KFVSMIYBPVKVQJ-STQMWFEESA-N 0 3 280.416 3.245 20 30 CGEDHN CCCCCCCC[C@@H](N)c1nc([C@H]2CCCN2)no1 ZINC000900009791 620745461 /nfs/dbraw/zinc/74/54/61/620745461.db2.gz KFVSMIYBPVKVQJ-CHWSQXEVSA-N 0 3 280.416 3.245 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC001020853608 617801415 /nfs/dbraw/zinc/80/14/15/617801415.db2.gz SQSMUTLFKHGWFU-KQTLUZQSSA-N 0 3 298.858 3.048 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001021115313 617898112 /nfs/dbraw/zinc/89/81/12/617898112.db2.gz KOEIKMCFRUFHMQ-XTWLIDDBSA-N 0 3 298.858 3.048 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cnc(-c2ccccc2)nc1 ZINC000934461147 618624839 /nfs/dbraw/zinc/62/48/39/618624839.db2.gz VZPPEHDBZHAWBS-INIZCTEOSA-N 0 3 265.360 3.294 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000934469495 618626682 /nfs/dbraw/zinc/62/66/82/618626682.db2.gz DIZAPRODYNFKPA-SFHVURJKSA-N 0 3 298.430 3.463 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](O)c1ccc(C)cc1 ZINC000237783823 618675041 /nfs/dbraw/zinc/67/50/41/618675041.db2.gz DQWIXIRPUSRUNZ-SFHVURJKSA-N 0 3 297.398 3.383 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001022904254 618679235 /nfs/dbraw/zinc/67/92/35/618679235.db2.gz IVFBQJQKMSEUFJ-BYNSBNAKSA-N 0 3 298.858 3.192 20 30 CGEDHN C#CCCOc1ccc(CN2CCC[C@@H](OCC)C2)cc1 ZINC000155459662 618703552 /nfs/dbraw/zinc/70/35/52/618703552.db2.gz HLHFEXBEBXOLDA-GOSISDBHSA-N 0 3 287.403 3.090 20 30 CGEDHN C=CCN1CCC(Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000892396535 618756129 /nfs/dbraw/zinc/75/61/29/618756129.db2.gz JLPGKKIEHKILBK-UHFFFAOYSA-N 0 3 285.313 3.163 20 30 CGEDHN CCCSC[C@@H](C)NCc1ccc(C#N)cc1F ZINC000892912614 618952271 /nfs/dbraw/zinc/95/22/71/618952271.db2.gz WIPFALVOPRPWBM-LLVKDONJSA-N 0 3 266.385 3.319 20 30 CGEDHN C[C@H](C[C@@H](O)c1ccccc1)NCC#Cc1ccccc1 ZINC000893267795 619054659 /nfs/dbraw/zinc/05/46/59/619054659.db2.gz XBTRQMTTZRNFJV-VQIMIIECSA-N 0 3 279.383 3.140 20 30 CGEDHN COc1ccc(O)c(/C=N/C[C@@H](c2ccccc2)N(C)C)c1 ZINC000072658204 625327319 /nfs/dbraw/zinc/32/73/19/625327319.db2.gz DQQNZGDBWRVEEX-DAQNXSASSA-N 0 3 298.386 3.123 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000931753050 619249043 /nfs/dbraw/zinc/24/90/43/619249043.db2.gz PEHSVLPWLQHTIM-ZBFHGGJFSA-N 0 3 290.794 3.213 20 30 CGEDHN C#CCCCNCc1ccc(F)cc1Br ZINC000178627487 619370823 /nfs/dbraw/zinc/37/08/23/619370823.db2.gz AVNQXQBUYXHCFD-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN CN(CCC#N)c1ccc(CNCc2ccsc2)cc1 ZINC000067120506 619373849 /nfs/dbraw/zinc/37/38/49/619373849.db2.gz LLZZAUBTTJTGJZ-UHFFFAOYSA-N 0 3 285.416 3.388 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cn2ccnc2s1 ZINC000894101316 619373855 /nfs/dbraw/zinc/37/38/55/619373855.db2.gz GIUPDXIXUQUPNN-HNNXBMFYSA-N 0 3 294.383 3.045 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cn2ccnc2s1 ZINC000894101358 619374165 /nfs/dbraw/zinc/37/41/65/619374165.db2.gz GIUPDXIXUQUPNN-OAHLLOKOSA-N 0 3 294.383 3.045 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc(F)cc1 ZINC000894575730 619579689 /nfs/dbraw/zinc/57/96/89/619579689.db2.gz VMXGMFQFDBHHOF-AHCXZYCDSA-N 0 3 287.378 3.295 20 30 CGEDHN C#C[C@@H](NC1CC2(C1)CO[C@H](C)C2)c1ccc(F)cc1 ZINC000894576017 619579713 /nfs/dbraw/zinc/57/97/13/619579713.db2.gz YMCIYBBJGHOCDZ-ZCHDIUTGSA-N 0 3 273.351 3.047 20 30 CGEDHN C=C(CC)CNCc1ccc(C(F)(F)F)nc1N(C)C ZINC000894776060 619628669 /nfs/dbraw/zinc/62/86/69/619628669.db2.gz SVUSDRGOTMECIM-UHFFFAOYSA-N 0 3 287.329 3.222 20 30 CGEDHN CSCCON=Cc1ccccc1N1CCCCC1 ZINC000794572138 619767725 /nfs/dbraw/zinc/76/77/25/619767725.db2.gz KQSMNAXKJKMUPA-UHFFFAOYSA-N 0 3 278.421 3.390 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc3c2NCCC3)C1 ZINC000895227483 619786621 /nfs/dbraw/zinc/78/66/21/619786621.db2.gz BJUDBQOHKYYGGK-CQSZACIVSA-N 0 3 269.392 3.170 20 30 CGEDHN C[C@]1(Br)C[C@@H]1CNCC1(C#N)CCCCC1 ZINC000895404098 619823580 /nfs/dbraw/zinc/82/35/80/619823580.db2.gz PVKRVJFZFXECMG-NEPJUHHUSA-N 0 3 285.229 3.224 20 30 CGEDHN C#CCC1(O)CCN(Cc2c(C)cc(Cl)cc2C)CC1 ZINC000895669924 619869323 /nfs/dbraw/zinc/86/93/23/619869323.db2.gz LPDAYYYCTDWJJC-UHFFFAOYSA-N 0 3 291.822 3.307 20 30 CGEDHN C#CCC1(O)CCN(Cc2cc3cccc(CC)c3o2)CC1 ZINC000895671491 619869342 /nfs/dbraw/zinc/86/93/42/619869342.db2.gz VMCPDERMIKCSRB-UHFFFAOYSA-N 0 3 297.398 3.345 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1csc(C#N)c1 ZINC000895786427 619885469 /nfs/dbraw/zinc/88/54/69/619885469.db2.gz SFFKVEWICGSWCL-UHFFFAOYSA-N 0 3 281.384 3.166 20 30 CGEDHN C#CCC1(NCc2cnc(CC(F)(F)F)s2)CCC1 ZINC000897351229 620222881 /nfs/dbraw/zinc/22/28/81/620222881.db2.gz XSDREBIPJHEVDP-UHFFFAOYSA-N 0 3 288.338 3.284 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC000898021903 620468175 /nfs/dbraw/zinc/46/81/75/620468175.db2.gz UYVGKORLMVNDAE-UWVGGRQHSA-N 0 3 275.318 3.129 20 30 CGEDHN CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1c[nH]c(N)n1 ZINC000901170396 620839898 /nfs/dbraw/zinc/83/98/98/620839898.db2.gz MGTVMXAOPKKKLU-NSHDSACASA-N 0 3 285.395 3.190 20 30 CGEDHN CN(C)C[C@@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000921501894 625450418 /nfs/dbraw/zinc/45/04/18/625450418.db2.gz BGYWKHZAQUNFGU-MRXNPFEDSA-N 0 3 285.416 3.012 20 30 CGEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)Oc1ccccc1F ZINC000902820701 621455520 /nfs/dbraw/zinc/45/55/20/621455520.db2.gz DVOSTNPKCXOJQY-OLZOCXBDSA-N 0 3 299.349 3.210 20 30 CGEDHN N#CC1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000903030762 621535254 /nfs/dbraw/zinc/53/52/54/621535254.db2.gz FXSVNRRUNZSJIG-HNNXBMFYSA-N 0 3 299.374 3.199 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1cc(C#N)ccn1 ZINC000903043995 621553504 /nfs/dbraw/zinc/55/35/04/621553504.db2.gz IRKLFHYALINVRS-HIFRSBDPSA-N 0 3 285.391 3.096 20 30 CGEDHN Cc1ccccc1C[C@H](NCC1(C#N)CC1)C1CC1 ZINC000903106397 621580325 /nfs/dbraw/zinc/58/03/25/621580325.db2.gz PDZSZTJVDNRZOA-INIZCTEOSA-N 0 3 254.377 3.210 20 30 CGEDHN N#CCCCN[C@H](c1ccccc1F)C1CCOCC1 ZINC000903148882 621611538 /nfs/dbraw/zinc/61/15/38/621611538.db2.gz WXLMPSKCWVJPCG-INIZCTEOSA-N 0 3 276.355 3.187 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@H]2CCCF)n1 ZINC000903263559 621648686 /nfs/dbraw/zinc/64/86/86/621648686.db2.gz NZVJXXXTZPJZFK-CMPLNLGQSA-N 0 3 267.373 3.023 20 30 CGEDHN N#CC1(CCCCN2CCOc3cc(N)ccc3C2)CCC1 ZINC000903778019 621806239 /nfs/dbraw/zinc/80/62/39/621806239.db2.gz ISDMPWRUMYKNSD-UHFFFAOYSA-N 0 3 299.418 3.327 20 30 CGEDHN C=CCN1CCC(NC(=O)C2(C3CCCCC3)CC2)CC1 ZINC000906591116 622252272 /nfs/dbraw/zinc/25/22/72/622252272.db2.gz ADYQFGDUFRNHTQ-UHFFFAOYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000912070134 622597314 /nfs/dbraw/zinc/59/73/14/622597314.db2.gz ZFLQRZMFTPTJBY-QWHCGFSZSA-N 0 3 278.421 3.095 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000912352188 622637652 /nfs/dbraw/zinc/63/76/52/622637652.db2.gz MDPMUCNRLICQSQ-ZBFHGGJFSA-N 0 3 274.408 3.198 20 30 CGEDHN CCOc1cc(CNCc2ccc(C#N)cc2)ccc1OC ZINC000061079332 623097506 /nfs/dbraw/zinc/09/75/06/623097506.db2.gz IBLXKKJCOIWWCF-UHFFFAOYSA-N 0 3 296.370 3.255 20 30 CGEDHN CCN(CC)c1ccc(C=NN[C@H]2CCOC2(C)C)cc1 ZINC000835014112 623856651 /nfs/dbraw/zinc/85/66/51/623856651.db2.gz AVJQTRBUIPCBIC-INIZCTEOSA-N 0 3 289.423 3.024 20 30 CGEDHN C[C@@H](COc1ccccc1)NCc1csc(C#N)c1 ZINC000921618413 625705843 /nfs/dbraw/zinc/70/58/43/625705843.db2.gz DOBPPDQNPNWGNN-LBPRGKRZSA-N 0 3 272.373 3.177 20 30 CGEDHN C[C@H](COc1ccccc1)NCc1csc(C#N)c1 ZINC000921618396 625706310 /nfs/dbraw/zinc/70/63/10/625706310.db2.gz DOBPPDQNPNWGNN-GFCCVEGCSA-N 0 3 272.373 3.177 20 30 CGEDHN CC(C)[C@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000929199944 624547633 /nfs/dbraw/zinc/54/76/33/624547633.db2.gz CTBYLMMGLCNRII-KRWDZBQOSA-N 0 3 265.360 3.440 20 30 CGEDHN C#CCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000179663362 624676662 /nfs/dbraw/zinc/67/66/62/624676662.db2.gz APITWDRZAVLLOT-KRWDZBQOSA-N 0 3 250.345 3.174 20 30 CGEDHN C=CCN1CC=C(CNC(=O)c2cccc(C3CC3)c2)CC1 ZINC001001485895 625898168 /nfs/dbraw/zinc/89/81/68/625898168.db2.gz GGQLJJGYVZBPKL-UHFFFAOYSA-N 0 3 296.414 3.112 20 30 CGEDHN Cc1cccc2c1OC[C@H](NCc1csc(C#N)c1)C2 ZINC000922140995 625972280 /nfs/dbraw/zinc/97/22/80/625972280.db2.gz OCQYRQBLBIGVBN-CQSZACIVSA-N 0 3 284.384 3.022 20 30 CGEDHN COc1ccc(CNC(C)(C)/C=C\Cl)cc1C#N ZINC000922649434 626025630 /nfs/dbraw/zinc/02/56/30/626025630.db2.gz VWYUOCVGJNIFML-SREVYHEPSA-N 0 3 264.756 3.188 20 30 CGEDHN CCCCCCCCN1CCC[C@]12CCOC2=O ZINC000186636820 626065418 /nfs/dbraw/zinc/06/54/18/626065418.db2.gz RRAAHOJIUFAGKA-OAHLLOKOSA-N 0 3 253.386 3.128 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001005578812 626092958 /nfs/dbraw/zinc/09/29/58/626092958.db2.gz HHOFQUNKJAKKQX-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001005627897 626094100 /nfs/dbraw/zinc/09/41/00/626094100.db2.gz DZSCICCBFSUNMF-RDJZCZTQSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCC1(NCc2cnc(C3CC3)o2)CCCCC1 ZINC000922982080 626115388 /nfs/dbraw/zinc/11/53/88/626115388.db2.gz VTLNYKXIYSGIHU-UHFFFAOYSA-N 0 3 258.365 3.368 20 30 CGEDHN Cc1cc(CN[C@H]2c3ccccc3CC[C@H]2O)ccc1C#N ZINC000922991210 626116501 /nfs/dbraw/zinc/11/65/01/626116501.db2.gz VRFWBKMJQXLWGT-MOPGFXCFSA-N 0 3 292.382 3.005 20 30 CGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838788891 626254705 /nfs/dbraw/zinc/25/47/05/626254705.db2.gz WBIMNVAMZPYYSY-ZYHUDNBSSA-N 0 3 294.301 3.015 20 30 CGEDHN C[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)[C@@H]1C ZINC000751943970 626412537 /nfs/dbraw/zinc/41/25/37/626412537.db2.gz SGKOWCVVNXZOHD-ZIAGYGMSSA-N 0 3 280.375 3.110 20 30 CGEDHN C#CCOCCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000753761865 626464952 /nfs/dbraw/zinc/46/49/52/626464952.db2.gz QWYGKYDLLAXPEF-LJQANCHMSA-N 0 3 295.382 3.024 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=C2CC[C@H](C)C2)nc(C)n1 ZINC000753800640 626466136 /nfs/dbraw/zinc/46/61/36/626466136.db2.gz XOUMZANTLWPMRZ-NDYYCHEFSA-N 0 3 269.348 3.016 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=C2CC[C@@H](C)C2)nc(C)n1 ZINC000753800636 626466204 /nfs/dbraw/zinc/46/62/04/626466204.db2.gz XOUMZANTLWPMRZ-AQVMYJKNSA-N 0 3 269.348 3.016 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc(OC(F)F)cc2)CN1C1CC1 ZINC000753960397 626470002 /nfs/dbraw/zinc/47/00/02/626470002.db2.gz QXBCNQSHBCNGTO-SNVBAGLBSA-N 0 3 295.333 3.313 20 30 CGEDHN C[C@@H]1CC(N=Nc2cccc3cnccc32)CN1C1CC1 ZINC000753959872 626470168 /nfs/dbraw/zinc/47/01/68/626470168.db2.gz MUQZXWVZUVXNKX-GFCCVEGCSA-N 0 3 280.375 3.259 20 30 CGEDHN C[C@H]1CC(N=Nc2cccc3ncccc23)CN1C1CC1 ZINC000753955919 626470216 /nfs/dbraw/zinc/47/02/16/626470216.db2.gz RMDLQRJBNBPAAF-LBPRGKRZSA-N 0 3 280.375 3.259 20 30 CGEDHN C=CCc1cc(C[N@@H+](CC)CCC)c([O-])c(OC)c1 ZINC000754730571 626584874 /nfs/dbraw/zinc/58/48/74/626584874.db2.gz SHUNQEBERZGCBI-UHFFFAOYSA-N 0 3 263.381 3.361 20 30 CGEDHN C=CCc1cc(C[N@H+](CC)CCC)c([O-])c(OC)c1 ZINC000754730571 626584875 /nfs/dbraw/zinc/58/48/75/626584875.db2.gz SHUNQEBERZGCBI-UHFFFAOYSA-N 0 3 263.381 3.361 20 30 CGEDHN C#CC[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000756997782 626745698 /nfs/dbraw/zinc/74/56/98/626745698.db2.gz NDYJLNNRTAZTGH-GOSISDBHSA-N 0 3 260.340 3.412 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000809686152 626777893 /nfs/dbraw/zinc/77/78/93/626777893.db2.gz VHCIYTOMQZNZPT-ZFWWWQNUSA-N 0 3 275.392 3.374 20 30 CGEDHN C#CCN(Cc1c(C)nc2ccccn21)C1CCCCC1 ZINC000759330281 626887395 /nfs/dbraw/zinc/88/73/95/626887395.db2.gz JAKQHBITHABXCY-UHFFFAOYSA-N 0 3 281.403 3.411 20 30 CGEDHN CC[C@@H](CC(F)(F)F)NCc1ccc(OC)c(C#N)c1 ZINC000760659906 626983926 /nfs/dbraw/zinc/98/39/26/626983926.db2.gz OKXAHZANRFZBEY-LBPRGKRZSA-N 0 3 286.297 3.387 20 30 CGEDHN C#CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCCC1 ZINC000761206334 627025608 /nfs/dbraw/zinc/02/56/08/627025608.db2.gz WNTHOEGIOMMSNE-UHFFFAOYSA-N 0 3 293.794 3.432 20 30 CGEDHN C#CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCCC1 ZINC000761206334 627025613 /nfs/dbraw/zinc/02/56/13/627025613.db2.gz WNTHOEGIOMMSNE-UHFFFAOYSA-N 0 3 293.794 3.432 20 30 CGEDHN C[C@@H]1CC(N=Nc2cccc3c2CCCC3)CN1C ZINC000761811054 627062016 /nfs/dbraw/zinc/06/20/16/627062016.db2.gz GFHYHGDRIOEKQF-GFCCVEGCSA-N 0 3 257.381 3.057 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(OC)c1C)C(C)(C)C ZINC000809781535 627112439 /nfs/dbraw/zinc/11/24/39/627112439.db2.gz VGMWNLQVTSIMOQ-OAHLLOKOSA-N 0 3 275.392 3.150 20 30 CGEDHN C#CCN[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000764599477 627214163 /nfs/dbraw/zinc/21/41/63/627214163.db2.gz QPPLUFOAWWLMNJ-SFHVURJKSA-N 0 3 283.346 3.341 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000767974404 627447166 /nfs/dbraw/zinc/44/71/66/627447166.db2.gz VQRRBKDFRMPIOO-DOTOQJQBSA-N 0 3 287.403 3.406 20 30 CGEDHN C#CCCOc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000769142311 627525251 /nfs/dbraw/zinc/52/52/51/627525251.db2.gz UNDZPKPPYBNDNW-HUUCEWRRSA-N 0 3 289.444 3.415 20 30 CGEDHN C#CCOc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1 ZINC000769142358 627525487 /nfs/dbraw/zinc/52/54/87/627525487.db2.gz WCBRYILFXPJWLT-KBPBESRZSA-N 0 3 275.417 3.024 20 30 CGEDHN C=C[C@H](CC(=O)OCCN1CCCCC1)c1ccccc1 ZINC000770410830 627617774 /nfs/dbraw/zinc/61/77/74/627617774.db2.gz JTRVFDRSMOSAAO-MRXNPFEDSA-N 0 3 287.403 3.375 20 30 CGEDHN C=CCC[C@H](Nc1cc(C)nc(N)n1)c1ccccc1 ZINC000771927170 627745959 /nfs/dbraw/zinc/74/59/59/627745959.db2.gz IPRPQOOKOWWPJX-AWEZNQCLSA-N 0 3 268.364 3.487 20 30 CGEDHN C=C(CC)CN1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000773425725 627882697 /nfs/dbraw/zinc/88/26/97/627882697.db2.gz BORSTEUKHKVCDH-AWEZNQCLSA-N 0 3 282.428 3.332 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@](C)(CC)c1ccccc1 ZINC000775386820 628088190 /nfs/dbraw/zinc/08/81/90/628088190.db2.gz HAZQESWDJWLQIX-SFHVURJKSA-N 0 3 288.435 3.326 20 30 CGEDHN CCc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000775395095 628089757 /nfs/dbraw/zinc/08/97/57/628089757.db2.gz NLFKNFPQHYTOIW-KRWDZBQOSA-N 0 3 280.375 3.011 20 30 CGEDHN N#CCC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000775554340 628106311 /nfs/dbraw/zinc/10/63/11/628106311.db2.gz WZKVJLZETVXHDT-ZWKOTPCHSA-N 0 3 298.361 3.494 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@H](C)c2ccccc21)[C@H]1CCCO1 ZINC000775573159 628109779 /nfs/dbraw/zinc/10/97/79/628109779.db2.gz WNNJOPSRPOSHFB-VIBAHUMZSA-N 0 3 269.388 3.395 20 30 CGEDHN CN(C)c1ccncc1C=[NH+][N-]c1cccc(Cl)c1 ZINC000776183039 628177315 /nfs/dbraw/zinc/17/73/15/628177315.db2.gz HKNPIUVZAODNCP-UHFFFAOYSA-N 0 3 274.755 3.247 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(C#N)c(F)c1 ZINC000776745139 628229655 /nfs/dbraw/zinc/22/96/55/628229655.db2.gz SIEGTHJQWICISE-MNOVXSKESA-N 0 3 257.312 3.437 20 30 CGEDHN C#C[C@H](NCc1ccc(Br)s1)C(C)C ZINC000300992587 628234382 /nfs/dbraw/zinc/23/43/82/628234382.db2.gz VVCLAPZFSYVTBJ-JTQLQIEISA-N 0 3 272.211 3.258 20 30 CGEDHN CC1(C#N)CCN(Cc2cncc3ccccc32)CC1 ZINC000780780996 628516648 /nfs/dbraw/zinc/51/66/48/628516648.db2.gz FIYZGSGCSGFIML-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN C=CCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785709455 628882194 /nfs/dbraw/zinc/88/21/94/628882194.db2.gz PUTPSGQSYUUXNY-UHFFFAOYSA-N 0 3 259.349 3.015 20 30 CGEDHN CN(C)c1ccncc1C=NN1CCC(C(C)(C)C)CC1 ZINC000790178658 629189065 /nfs/dbraw/zinc/18/90/65/629189065.db2.gz HAGQQRWBYWMHGB-UHFFFAOYSA-N 0 3 288.439 3.240 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000791444175 629278845 /nfs/dbraw/zinc/27/88/45/629278845.db2.gz DWSWDJLFVBIYBQ-WOJBJXKFSA-N 0 3 291.394 3.343 20 30 CGEDHN C#C[C@H](CC)NCc1cc(Cl)c(OCC=C)c(OC)c1 ZINC000862363566 629353505 /nfs/dbraw/zinc/35/35/05/629353505.db2.gz QVSZQMAFTMVEDI-CYBMUJFWSA-N 0 3 293.794 3.415 20 30 CGEDHN C#CCCCN1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000792337042 629357683 /nfs/dbraw/zinc/35/76/83/629357683.db2.gz WSLVXLASFCOHBF-IBGZPJMESA-N 0 3 299.414 3.040 20 30 CGEDHN C#C[C@@H](CC)/N=C\c1ccc(N(CC)CC)cc1O ZINC000792570862 629367429 /nfs/dbraw/zinc/36/74/29/629367429.db2.gz SYMYZOCCUBSOFJ-VMOJBDSFSA-N 0 3 258.365 3.069 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(OC)c(Cl)c2)C1 ZINC000862444873 629378363 /nfs/dbraw/zinc/37/83/63/629378363.db2.gz HVTJMKOPIGXTFO-LBPRGKRZSA-N 0 3 263.768 3.194 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC000862445354 629379260 /nfs/dbraw/zinc/37/92/60/629379260.db2.gz RHGDULURPIQDML-GFCCVEGCSA-N 0 3 286.400 3.150 20 30 CGEDHN C=CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794668670 629565144 /nfs/dbraw/zinc/56/51/44/629565144.db2.gz OFEMGEGRFNGDAW-SJORKVTESA-N 0 3 253.345 3.237 20 30 CGEDHN C=CCc1cc(OC)cc(CN2CCC(F)(F)CC2)c1O ZINC000794689195 629567638 /nfs/dbraw/zinc/56/76/38/629567638.db2.gz ZVYFWHCMTXRDSL-UHFFFAOYSA-N 0 3 297.345 3.360 20 30 CGEDHN Cc1ncc(C=NNc2cccc(F)n2)n1-c1ccccc1 ZINC000795006991 629620194 /nfs/dbraw/zinc/62/01/94/629620194.db2.gz WCKMZZILHWGKEO-UHFFFAOYSA-N 0 3 295.321 3.161 20 30 CGEDHN COCCCON=Cc1ccc(N2CCCCC2)cc1 ZINC000795055213 629629302 /nfs/dbraw/zinc/62/93/02/629629302.db2.gz HCOCNWIJLNBJHP-UHFFFAOYSA-N 0 3 276.380 3.064 20 30 CGEDHN CCCCCCCCN[C@H](c1nncn1C)C(C)C ZINC000796187272 629751477 /nfs/dbraw/zinc/75/14/77/629751477.db2.gz PSRSNJRKIWWMDU-AWEZNQCLSA-N 0 3 266.433 3.462 20 30 CGEDHN C#CCCCN(CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000796455855 629783487 /nfs/dbraw/zinc/78/34/87/629783487.db2.gz SUEIQNUJDKRCNU-UHFFFAOYSA-N 0 3 259.397 3.256 20 30 CGEDHN C=CCC[C@H](NC[C@H](O)CC(C)C)c1ccco1 ZINC000796722351 629820422 /nfs/dbraw/zinc/82/04/22/629820422.db2.gz DBUQABXLTMTLTH-KGLIPLIRSA-N 0 3 251.370 3.284 20 30 CGEDHN C=C(Br)CN[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000799717478 630223866 /nfs/dbraw/zinc/22/38/66/630223866.db2.gz GXOLGWVQTGHNFM-SNVBAGLBSA-N 0 3 291.192 3.133 20 30 CGEDHN C=CCC[C@H](O)C[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801599461 630347660 /nfs/dbraw/zinc/34/76/60/630347660.db2.gz OWNSSUNWRVJBHV-INIZCTEOSA-N 0 3 277.408 3.321 20 30 CGEDHN C=CCC[C@H](O)C[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801599461 630347663 /nfs/dbraw/zinc/34/76/63/630347663.db2.gz OWNSSUNWRVJBHV-INIZCTEOSA-N 0 3 277.408 3.321 20 30 CGEDHN C[C@H](C#N)OCCN(C)Cc1ccccc1C(F)(F)F ZINC000801911053 630363831 /nfs/dbraw/zinc/36/38/31/630363831.db2.gz SUWXVMQBQXDTFX-LLVKDONJSA-N 0 3 286.297 3.066 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN(C)CCC1CC1)c1ccccc1 ZINC000878288614 635445538 /nfs/dbraw/zinc/44/55/38/635445538.db2.gz ZKDNSDBZLGNENS-SFHVURJKSA-N 0 3 284.403 3.159 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(-n3cccn3)cc2)cc1 ZINC000809605371 630759854 /nfs/dbraw/zinc/75/98/54/630759854.db2.gz BZQFPNLBUQADDM-UHFFFAOYSA-N 0 3 287.366 3.143 20 30 CGEDHN C#C[C@@H](NCc1ccccc1OCc1ccncc1)C(C)C ZINC000809684579 630780969 /nfs/dbraw/zinc/78/09/69/630780969.db2.gz HNXDFQFVVGAADR-GOSISDBHSA-N 0 3 294.398 3.408 20 30 CGEDHN C#C[C@@H](NCc1cccc(OCC(F)(F)F)c1)C(C)C ZINC000809685175 630781070 /nfs/dbraw/zinc/78/10/70/630781070.db2.gz DEAFJGMNSWDVFB-CQSZACIVSA-N 0 3 285.309 3.375 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000809686342 630783183 /nfs/dbraw/zinc/78/31/83/630783183.db2.gz MKWGUCVPJYJNMG-LBPRGKRZSA-N 0 3 281.783 3.249 20 30 CGEDHN C#C[C@@H](NCc1ccc(OCC)c(F)c1)C(C)(C)C ZINC000809781513 630806609 /nfs/dbraw/zinc/80/66/09/630806609.db2.gz UGPQDUQSUCGYLZ-OAHLLOKOSA-N 0 3 263.356 3.362 20 30 CGEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc[nH]1 ZINC000810228223 630857115 /nfs/dbraw/zinc/85/71/15/630857115.db2.gz CVNSGXNGAPNSSB-BZNIZROVSA-N 0 3 251.333 3.224 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000811512754 631080248 /nfs/dbraw/zinc/08/02/48/631080248.db2.gz RUAHQOIMYBHTCV-OLZOCXBDSA-N 0 3 294.345 3.455 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000811512755 631080771 /nfs/dbraw/zinc/08/07/71/631080771.db2.gz RUAHQOIMYBHTCV-QWHCGFSZSA-N 0 3 294.345 3.455 20 30 CGEDHN C#C[C@@H](NC1Cc2ccccc2C1)c1ccc(F)cc1 ZINC000812793144 631311751 /nfs/dbraw/zinc/31/17/51/631311751.db2.gz NFKSEFKDLVPOPC-GOSISDBHSA-N 0 3 265.331 3.257 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1C ZINC000876549298 634856094 /nfs/dbraw/zinc/85/60/94/634856094.db2.gz AKIDUASGDHEABU-JTQLQIEISA-N 0 3 273.163 3.057 20 30 CGEDHN C#CCCCCN[C@H]1COCc2cccc(Cl)c21 ZINC000813328927 631408575 /nfs/dbraw/zinc/40/85/75/631408575.db2.gz MJDAJAWATNKLJI-AWEZNQCLSA-N 0 3 263.768 3.304 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000814169796 631537211 /nfs/dbraw/zinc/53/72/11/631537211.db2.gz MLTAHZGNIADDRB-JKSUJKDBSA-N 0 3 291.341 3.176 20 30 CGEDHN c1cc2c3c(c1)C(=NNCC1CCCC1)CC[C@@H]3CN2 ZINC000814933227 631688847 /nfs/dbraw/zinc/68/88/47/631688847.db2.gz IIQODHDDUFFFJY-CYBMUJFWSA-N 0 3 269.392 3.473 20 30 CGEDHN C#C[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(F)cc1 ZINC000816617179 632024450 /nfs/dbraw/zinc/02/44/50/632024450.db2.gz QEOGWMKHYCAEDH-SCLBCKFNSA-N 0 3 283.346 3.426 20 30 CGEDHN C#CCOc1ccc(CNCc2cc(C)nc(C)c2)cc1 ZINC000817411199 632142520 /nfs/dbraw/zinc/14/25/20/632142520.db2.gz OXBSONBWDOXCTD-UHFFFAOYSA-N 0 3 280.371 3.000 20 30 CGEDHN CCc1noc(C)c1CN(C)CCc1cccc(C#N)c1 ZINC000879434087 635786504 /nfs/dbraw/zinc/78/65/04/635786504.db2.gz NBAYCYQRPSWSCJ-UHFFFAOYSA-N 0 3 283.375 3.092 20 30 CGEDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@H](C#N)CCC#N ZINC000819377751 632444900 /nfs/dbraw/zinc/44/49/00/632444900.db2.gz UTEISFQPGRDJPP-HOTGVXAUSA-N 0 3 298.434 3.025 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccc(Cl)o1)C2 ZINC000865847384 632914796 /nfs/dbraw/zinc/91/47/96/632914796.db2.gz CYFUWOITCSTJOF-CYBMUJFWSA-N 0 3 272.735 3.062 20 30 CGEDHN C#CCSCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823904328 633167135 /nfs/dbraw/zinc/16/71/35/633167135.db2.gz BQBNCKOTSISBGU-NSHDSACASA-N 0 3 285.334 3.047 20 30 CGEDHN C#C[C@H](N[C@H]1CCO[C@@H](CC)C1)c1ccc(F)cc1 ZINC000824423853 633243924 /nfs/dbraw/zinc/24/39/24/633243924.db2.gz VQELTDWMIXRJLS-JYJNAYRXSA-N 0 3 261.340 3.047 20 30 CGEDHN C[C@@H](NCc1nc(C#N)cs1)[C@H]1CCCC[C@H]1C ZINC000824654469 633269508 /nfs/dbraw/zinc/26/95/08/633269508.db2.gz OLHYQMHTWWOWOI-WZRBSPASSA-N 0 3 263.410 3.319 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)CC(C)C ZINC000876599577 634865555 /nfs/dbraw/zinc/86/55/55/634865555.db2.gz FKFNUWFBFGSNPB-HNNXBMFYSA-N 0 3 294.826 3.141 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(OC)c(OC)c2C)c1 ZINC000825226310 633337331 /nfs/dbraw/zinc/33/73/31/633337331.db2.gz FVVXKAJUANVRQA-UHFFFAOYSA-N 0 3 295.382 3.283 20 30 CGEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162330 633535167 /nfs/dbraw/zinc/53/51/67/633535167.db2.gz FXPRGGIIXWAPTJ-MOLYVOAJSA-N 0 3 280.327 3.296 20 30 CGEDHN COc1cccc(C[C@H](NCC2(C#N)CCC2)C2CC2)c1 ZINC000828808234 633655808 /nfs/dbraw/zinc/65/58/08/633655808.db2.gz ILHPOSDVHAZFTN-KRWDZBQOSA-N 0 3 284.403 3.300 20 30 CGEDHN C=CCCCCN1CCC(C(=O)C(F)(F)F)CC1 ZINC000828959115 633672429 /nfs/dbraw/zinc/67/24/29/633672429.db2.gz JAEPJTDYEUCZDY-UHFFFAOYSA-N 0 3 263.303 3.186 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(Cl)c(OC)c1 ZINC000829244397 633716777 /nfs/dbraw/zinc/71/67/77/633716777.db2.gz XCIRKMNLMLZACU-UHFFFAOYSA-N 0 3 251.757 3.192 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2cccc(F)n2)CC1 ZINC000831486151 633966999 /nfs/dbraw/zinc/96/69/99/633966999.db2.gz NMWMEIJJQCPNHZ-CQSZACIVSA-N 0 3 277.387 3.088 20 30 CGEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccncc1 ZINC000834641293 634205380 /nfs/dbraw/zinc/20/53/80/634205380.db2.gz YUJOBUDCYWKLKX-KRWDZBQOSA-N 0 3 281.359 3.225 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@H](C)c2ccsc21)[C@@H]1CCCO1 ZINC000834768759 634239038 /nfs/dbraw/zinc/23/90/38/634239038.db2.gz FNCXSCIZRVCKDR-MHEUCROKSA-N 0 3 275.417 3.457 20 30 CGEDHN CS[C@H]1CC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000873063298 634239936 /nfs/dbraw/zinc/23/99/36/634239936.db2.gz PEMDLTJLQRLDDK-RYUDHWBXSA-N 0 3 264.369 3.071 20 30 CGEDHN CC(C)(CCC#N)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834803492 634244551 /nfs/dbraw/zinc/24/45/51/634244551.db2.gz URAUUHWCKQOINH-ZDUSSCGKSA-N 0 3 258.365 3.299 20 30 CGEDHN C[C@@]1(CCNCc2cccc(F)c2C#N)C[C@]1(F)Cl ZINC000873134831 634254965 /nfs/dbraw/zinc/25/49/65/634254965.db2.gz VAZBDDMCEITUAP-ZIAGYGMSSA-N 0 3 284.737 3.492 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000873193612 634278891 /nfs/dbraw/zinc/27/88/91/634278891.db2.gz MUZZIMIERPHREQ-ZWKOTPCHSA-N 0 3 298.361 3.299 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2ccn(-c3ccccc3)n2)CC1 ZINC000873198747 634283380 /nfs/dbraw/zinc/28/33/80/634283380.db2.gz ZFDXXYNXXWQRQQ-WKILWMFISA-N 0 3 279.387 3.154 20 30 CGEDHN CN(C)c1ccc(/C=C/C=NO[C@H]2CCCCO2)cc1 ZINC000834966822 634296530 /nfs/dbraw/zinc/29/65/30/634296530.db2.gz OONIZQNYBRTLMV-RHAKMWJXSA-N 0 3 274.364 3.295 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(COC(C)C)cc1 ZINC000876610956 634868156 /nfs/dbraw/zinc/86/81/56/634868156.db2.gz NJYCKNMVJLTNSL-AWEZNQCLSA-N 0 3 296.798 3.020 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C1CCCCCCC1 ZINC000876635583 634872539 /nfs/dbraw/zinc/87/25/39/634872539.db2.gz YSKLVBSTRRBZQK-CYBMUJFWSA-N 0 3 272.820 3.028 20 30 CGEDHN CC(C)(CN1CCC(C#N)CC1)Oc1ccccc1 ZINC000876653797 634875822 /nfs/dbraw/zinc/87/58/22/634875822.db2.gz SIRFGXYSYPAVQM-UHFFFAOYSA-N 0 3 258.365 3.080 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)ccc1NC(C)C ZINC000876729917 634888132 /nfs/dbraw/zinc/88/81/32/634888132.db2.gz APUNJKFHUFXFEW-NSHDSACASA-N 0 3 299.777 3.054 20 30 CGEDHN C#CCCCCCCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000876773001 634897136 /nfs/dbraw/zinc/89/71/36/634897136.db2.gz LDTLZYFFYGYFOD-FQEVSTJZSA-N 0 3 291.460 3.440 20 30 CGEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1sccc1C#N ZINC000837484128 634917778 /nfs/dbraw/zinc/91/77/78/634917778.db2.gz FZEDCCUNYNYVTD-CYBMUJFWSA-N 0 3 292.404 3.039 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000876937656 634932467 /nfs/dbraw/zinc/93/24/67/634932467.db2.gz YXZFNPMODSWSRF-IHRRRGAJSA-N 0 3 298.858 3.131 20 30 CGEDHN CCc1ccc(N(CC2CC2)C(=O)[C@H](N)CCCC#N)cc1 ZINC000877144840 635000858 /nfs/dbraw/zinc/00/08/58/635000858.db2.gz XSFFLRCZHBQRJA-QGZVFWFLSA-N 0 3 299.418 3.013 20 30 CGEDHN C#CCOc1ccccc1CN1CCC(SC)CC1 ZINC000877663313 635137978 /nfs/dbraw/zinc/13/79/78/635137978.db2.gz OVGDXUAKGQJKLA-UHFFFAOYSA-N 0 3 275.417 3.026 20 30 CGEDHN Cc1nn(C(C)C)cc1CN(C)CCc1cccc(C#N)c1 ZINC000877704833 635156746 /nfs/dbraw/zinc/15/67/46/635156746.db2.gz NNVOUEJMICFJSD-UHFFFAOYSA-N 0 3 296.418 3.319 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC2(CCC2)C1 ZINC000842677968 635437453 /nfs/dbraw/zinc/43/74/53/635437453.db2.gz OQLPPBCKHKMMEO-ZDUSSCGKSA-N 0 3 293.370 3.330 20 30 CGEDHN CC(C)(O)c1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000842720464 635449226 /nfs/dbraw/zinc/44/92/26/635449226.db2.gz WJOCUILHQFDXLB-UHFFFAOYSA-N 0 3 294.398 3.270 20 30 CGEDHN C=CC[C@@H](C)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000878560015 635556341 /nfs/dbraw/zinc/55/63/41/635556341.db2.gz CNJGOPINOJZAOQ-CABCVRRESA-N 0 3 274.408 3.102 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000843423711 635668930 /nfs/dbraw/zinc/66/89/30/635668930.db2.gz IRHBAOXRRXZNKU-OAHLLOKOSA-N 0 3 279.387 3.312 20 30 CGEDHN C#CCCCCCN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000879032231 635686157 /nfs/dbraw/zinc/68/61/57/635686157.db2.gz PEDMZJFEVKBUKM-UHFFFAOYSA-N 0 3 285.435 3.326 20 30 CGEDHN C=CC[C@H](C)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC000879031972 635686548 /nfs/dbraw/zinc/68/65/48/635686548.db2.gz GDDPTBGXEUQJOS-LBPRGKRZSA-N 0 3 259.397 3.097 20 30 CGEDHN CC(=O)Nc1cccc2c1CN(CCCC(C)(C)C#N)CC2 ZINC000879236083 635730235 /nfs/dbraw/zinc/73/02/35/635730235.db2.gz ZETZLMWBKJTVSC-UHFFFAOYSA-N 0 3 299.418 3.333 20 30 CGEDHN COc1ccc(C#N)cc1CNC(C)(C)[C@@H]1CCCCO1 ZINC000879407681 635779370 /nfs/dbraw/zinc/77/93/70/635779370.db2.gz QGQWNYGUUMMMOV-INIZCTEOSA-N 0 3 288.391 3.004 20 30 CGEDHN C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1[O-] ZINC000879651115 635828118 /nfs/dbraw/zinc/82/81/18/635828118.db2.gz IWNZTUCQRXSKOI-AWEZNQCLSA-N 0 3 296.370 3.384 20 30 CGEDHN Cc1cncc([C@H]2CCCN2CC2(CC#N)CC2)c1 ZINC000879751795 635854675 /nfs/dbraw/zinc/85/46/75/635854675.db2.gz INZFACWHHOOSOD-OAHLLOKOSA-N 0 3 255.365 3.221 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000879927478 635884149 /nfs/dbraw/zinc/88/41/49/635884149.db2.gz XPQWSINADHRRRL-KBPBESRZSA-N 0 3 292.423 3.427 20 30 CGEDHN C=CCCC[C@@H](NCc1n[nH]c(C)n1)c1ccccc1 ZINC000880389938 635992222 /nfs/dbraw/zinc/99/22/22/635992222.db2.gz LCXBQXYMIOVNFU-OAHLLOKOSA-N 0 3 270.380 3.300 20 30 CGEDHN C#CCC1(O)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000880477299 636008431 /nfs/dbraw/zinc/00/84/31/636008431.db2.gz FMADZDWRDVOCBM-UHFFFAOYSA-N 0 3 297.320 3.056 20 30 CGEDHN C=C(C)CC[C@@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000845864379 636110270 /nfs/dbraw/zinc/11/02/70/636110270.db2.gz FOVNOEYYVDAEMJ-CYBMUJFWSA-N 0 3 265.397 3.149 20 30 CGEDHN C=CCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876738 636113196 /nfs/dbraw/zinc/11/31/96/636113196.db2.gz OEQPLTOSKCNSIZ-IAQYHMDHSA-N 0 3 295.310 3.432 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000846756242 636230594 /nfs/dbraw/zinc/23/05/94/636230594.db2.gz IQMRQEZNYHEVGD-GECXBNKPSA-N 0 3 292.810 3.481 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846756242 636230597 /nfs/dbraw/zinc/23/05/97/636230597.db2.gz IQMRQEZNYHEVGD-GECXBNKPSA-N 0 3 292.810 3.481 20 30 CGEDHN CCCN(Cc1ccc(C#N)cn1)Cc1ccccc1O ZINC000846810602 636247754 /nfs/dbraw/zinc/24/77/54/636247754.db2.gz XWUNIUAMJACROY-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CCC[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1[O-] ZINC000846810602 636247757 /nfs/dbraw/zinc/24/77/57/636247757.db2.gz XWUNIUAMJACROY-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CCC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1[O-] ZINC000846810602 636247760 /nfs/dbraw/zinc/24/77/60/636247760.db2.gz XWUNIUAMJACROY-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc(F)cc3cccnc32)C1 ZINC000847024817 636316104 /nfs/dbraw/zinc/31/61/04/636316104.db2.gz SYUNCBOMEMVQBB-CYBMUJFWSA-N 0 3 268.335 3.219 20 30 CGEDHN O=[N+]([O-])c1ccc(N=NC2CCCN3CCCC[C@@H]23)cc1 ZINC000848398114 636566532 /nfs/dbraw/zinc/56/65/32/636566532.db2.gz CYJOSYJHEQSWSG-HNNXBMFYSA-N 0 3 288.351 3.011 20 30 CGEDHN C=CCC[C@H](COc1ccccc1)NCc1cc(C)no1 ZINC000883185907 636571872 /nfs/dbraw/zinc/57/18/72/636571872.db2.gz GPXWOGBLFBAWFE-OAHLLOKOSA-N 0 3 286.375 3.486 20 30 CGEDHN C=CCC[C@H](NCc1ncc(CC)s1)[C@H]1CCCO1 ZINC000883192541 636576041 /nfs/dbraw/zinc/57/60/41/636576041.db2.gz BMYWZQQLXYOSKA-UONOGXRCSA-N 0 3 280.437 3.309 20 30 CGEDHN C=CCCC[C@H](N[C@@H](CC)C(=O)NC)c1ccccc1 ZINC000883228770 636600356 /nfs/dbraw/zinc/60/03/56/636600356.db2.gz UDEBJLQPHRBWJJ-HOTGVXAUSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCCCCCCNCc1cc2n(n1)CCCC2 ZINC000848552512 636601733 /nfs/dbraw/zinc/60/17/33/636601733.db2.gz LRBWGRDXWXITMA-UHFFFAOYSA-N 0 3 261.413 3.446 20 30 CGEDHN C[C@H](NCCc1ccns1)c1ccc(C#N)cc1F ZINC000883247743 636617375 /nfs/dbraw/zinc/61/73/75/636617375.db2.gz UQOFZAYTTJSCEI-JTQLQIEISA-N 0 3 275.352 3.047 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000848923488 636694137 /nfs/dbraw/zinc/69/41/37/636694137.db2.gz FIVXQHJVHPOVRD-ZDUSSCGKSA-N 0 3 283.350 3.061 20 30 CGEDHN C=CCOCCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000849172296 636765194 /nfs/dbraw/zinc/76/51/94/636765194.db2.gz PNYVTOZXADRJII-NBVRZTHBSA-N 0 3 290.407 3.250 20 30 CGEDHN C=CCCCCCCNCc1cn(C2CCC2)nn1 ZINC000850297684 637009225 /nfs/dbraw/zinc/00/92/25/637009225.db2.gz OEBOIJQAUOMYHG-UHFFFAOYSA-N 0 3 262.401 3.229 20 30 CGEDHN C=CCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000850354701 637024662 /nfs/dbraw/zinc/02/46/62/637024662.db2.gz VECJUSDNUVOTIJ-UHFFFAOYSA-N 0 3 270.163 3.307 20 30 CGEDHN C#CCOc1ccc(CNCc2cccc(OC)c2C)cc1 ZINC000850417104 637054157 /nfs/dbraw/zinc/05/41/57/637054157.db2.gz WCKKAKLFIWNWCQ-UHFFFAOYSA-N 0 3 295.382 3.305 20 30 CGEDHN C[C@@H](N[C@H]1COC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000850460178 637074623 /nfs/dbraw/zinc/07/46/23/637074623.db2.gz SKUZOUSAMUQSOZ-DGCLKSJQSA-N 0 3 274.339 3.060 20 30 CGEDHN N#CC(C(=O)C1CCC(C2CC2)CC1)c1ccccn1 ZINC000850756138 637146278 /nfs/dbraw/zinc/14/62/78/637146278.db2.gz MWWXUIDCCFVFTR-NRXISQOPSA-N 0 3 268.360 3.474 20 30 CGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886104643 637414262 /nfs/dbraw/zinc/41/42/62/637414262.db2.gz HMNFGXFLJIDBMW-AAEUAGOBSA-N 0 3 294.345 3.060 20 30 CGEDHN C[C@H]1c2sccc2CCN1C[C@H](O)CC1(C#N)CCC1 ZINC000886318034 637498270 /nfs/dbraw/zinc/49/82/70/637498270.db2.gz IALHSRRIPRIMKT-GXTWGEPZSA-N 0 3 290.432 3.112 20 30 CGEDHN C#CCOCCN1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000851844723 637520307 /nfs/dbraw/zinc/52/03/07/637520307.db2.gz BLXRGRRGWLEUSH-UHFFFAOYSA-N 0 3 294.398 3.215 20 30 CGEDHN C#C[C@](C)(CC)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000852103902 637597263 /nfs/dbraw/zinc/59/72/63/637597263.db2.gz UYZMVUQYFRTYCR-OAHLLOKOSA-N 0 3 279.767 3.018 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](c2ncccn2)C1 ZINC000886685782 637649531 /nfs/dbraw/zinc/64/95/31/637649531.db2.gz BUDRKHCXRWQGQF-QGZVFWFLSA-N 0 3 292.386 3.036 20 30 CGEDHN C=CC[C@H]1CCCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000852410467 637649554 /nfs/dbraw/zinc/64/95/54/637649554.db2.gz MKFWLURSWUDIKW-SWLSCSKDSA-N 0 3 281.346 3.286 20 30 CGEDHN CC[C@H]1COC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000852555870 637678599 /nfs/dbraw/zinc/67/85/99/637678599.db2.gz AGYQRWBKBQOMPR-ZFWWWQNUSA-N 0 3 297.320 3.072 20 30 CGEDHN CC[C@H]1COC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000852555865 637678979 /nfs/dbraw/zinc/67/89/79/637678979.db2.gz AGYQRWBKBQOMPR-DZGCQCFKSA-N 0 3 297.320 3.072 20 30 CGEDHN C=CCC1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000886764527 637680347 /nfs/dbraw/zinc/68/03/47/637680347.db2.gz VLIGGRVKUFLGBX-UHFFFAOYSA-N 0 3 279.811 3.286 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccc(OCCC)cc2)CC1 ZINC000886774110 637683964 /nfs/dbraw/zinc/68/39/64/637683964.db2.gz HVBNWMKTZADLIM-UHFFFAOYSA-N 0 3 289.419 3.378 20 30 CGEDHN C#CCCN(CCOC)Cc1ccc(SC(F)F)cc1 ZINC000852752312 637706721 /nfs/dbraw/zinc/70/67/21/637706721.db2.gz YJLZDPWNJBLSAP-UHFFFAOYSA-N 0 3 299.386 3.473 20 30 CGEDHN C#CCC1(NCc2cccc(F)c2Cl)CCOCC1 ZINC000887122184 637752198 /nfs/dbraw/zinc/75/21/98/637752198.db2.gz NQMQRCYTOSRCKF-UHFFFAOYSA-N 0 3 281.758 3.141 20 30 CGEDHN COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000926692247 638799153 /nfs/dbraw/zinc/79/91/53/638799153.db2.gz GMLDFUXKKMVGHW-CZUORRHYSA-N 0 3 290.407 3.301 20 30 CGEDHN C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cc([O-])cc(F)c1 ZINC000926810281 638814488 /nfs/dbraw/zinc/81/44/88/638814488.db2.gz BZNQUUGRSVWTKO-PIGZYNQJSA-N 0 3 296.345 3.221 20 30 CGEDHN CCN(Cc1ccc(N)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929334554 638919580 /nfs/dbraw/zinc/91/95/80/638919580.db2.gz WFXUGNMUWBEXEL-ZDUSSCGKSA-N 0 3 280.375 3.119 20 30 CGEDHN CN(Cc1cncc(C#N)c1)C(C)(C)c1ccccc1 ZINC000930371748 638993496 /nfs/dbraw/zinc/99/34/96/638993496.db2.gz WVDRMJBNEFRJBI-UHFFFAOYSA-N 0 3 265.360 3.320 20 30 CGEDHN Cn1ncc2c1CCCN(CCCCC1(C#N)CCC1)C2 ZINC000930712133 639057224 /nfs/dbraw/zinc/05/72/24/639057224.db2.gz MKMYDYDJGYUCSB-UHFFFAOYSA-N 0 3 286.423 3.032 20 30 CGEDHN COC/C(C)=C\CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000930765555 639065766 /nfs/dbraw/zinc/06/57/66/639065766.db2.gz ZSLVHQBLPDHEQC-YLHGKKIISA-N 0 3 258.365 3.144 20 30 CGEDHN C=CCN(C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H](C)COC ZINC000930932427 639088077 /nfs/dbraw/zinc/08/80/77/639088077.db2.gz KSGVHCJNXJUFSS-FRRDWIJNSA-N 0 3 295.345 3.009 20 30 CGEDHN C=CC[C@@H]1CCN1C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000934463180 639611547 /nfs/dbraw/zinc/61/15/47/639611547.db2.gz UOTOZCZMDLIJMB-GRYCIOLGSA-N 0 3 263.303 3.137 20 30 CGEDHN C=C(Br)CN1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934837143 639686077 /nfs/dbraw/zinc/68/60/77/639686077.db2.gz RONSZWHQIVCKKC-OLZOCXBDSA-N 0 3 288.229 3.034 20 30 CGEDHN N#CC(C(=O)C[C@H]1C=CCC1)c1nc2ccccc2[nH]1 ZINC000041496152 639905402 /nfs/dbraw/zinc/90/54/02/639905402.db2.gz ZLMXOAODHJTMKN-NWDGAFQWSA-N 0 3 265.316 3.095 20 30 CGEDHN CCOc1ccc(CNCc2ccc(C#N)cc2)cc1OC ZINC000047798232 640026708 /nfs/dbraw/zinc/02/67/08/640026708.db2.gz KQJXWSSGPOHWMM-UHFFFAOYSA-N 0 3 296.370 3.255 20 30 CGEDHN C#CCN(CCOC(C)C)[C@@H]1CCc2ccccc21 ZINC000079997223 640442481 /nfs/dbraw/zinc/44/24/81/640442481.db2.gz DSRGMDUMJHPEGT-QGZVFWFLSA-N 0 3 257.377 3.034 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@H](NCC2(C#N)CCC2)C1(C)C ZINC000412084870 640829645 /nfs/dbraw/zinc/82/96/45/640829645.db2.gz UYORYZONWUFPLO-QWHCGFSZSA-N 0 3 264.413 3.252 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007459864 640942293 /nfs/dbraw/zinc/94/22/93/640942293.db2.gz PLCDTQRJQBZSHD-INIZCTEOSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016078640 640991437 /nfs/dbraw/zinc/99/14/37/640991437.db2.gz XNQYPIWCZOOLTK-QGZVFWFLSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001016133997 640992858 /nfs/dbraw/zinc/99/28/58/640992858.db2.gz UYIPIBLNCUVVKP-MRXNPFEDSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001017664531 641014434 /nfs/dbraw/zinc/01/44/34/641014434.db2.gz IMZPVUGKSXATKL-OAGGEKHMSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1CC ZINC001017903623 641018786 /nfs/dbraw/zinc/01/87/86/641018786.db2.gz ZAPIFRGFRBOBAO-NCOADZHNSA-N 0 3 290.451 3.064 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](F)CCCCCC ZINC001156403828 805684727 /nfs/dbraw/zinc/68/47/27/805684727.db2.gz PVMWQZVRAUOELB-HZPDHXFCSA-N 0 3 298.446 3.145 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H]1CC=CCC1 ZINC001158322215 805938222 /nfs/dbraw/zinc/93/82/22/805938222.db2.gz UHVDOIVENHJYIA-DLBZAZTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C/C=C(/C)C=C ZINC001158335771 805941308 /nfs/dbraw/zinc/94/13/08/805941308.db2.gz BYDOBRCDLXWISO-DDITZMBXSA-N 0 3 276.424 3.008 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1ccco1 ZINC001252119656 806006400 /nfs/dbraw/zinc/00/64/00/806006400.db2.gz CZOVPSJCJQVUEK-CQSZACIVSA-N 0 3 253.386 3.481 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCN(CC2CC2)CC1 ZINC001252127561 806013588 /nfs/dbraw/zinc/01/35/88/806013588.db2.gz BRSAVWQJFIZVLF-GOSISDBHSA-N 0 3 296.499 3.126 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1ccc(F)cn1 ZINC001252132651 806018579 /nfs/dbraw/zinc/01/85/79/806018579.db2.gz ANHBJCQDLBFCGF-MRXNPFEDSA-N 0 3 282.403 3.422 20 30 CGEDHN C=C[C@@](C)(O)CN(Cc1ccccc1)Cc1cccnc1 ZINC001252549766 806061984 /nfs/dbraw/zinc/06/19/84/806061984.db2.gz HWGDQMIOYKYUFX-GOSISDBHSA-N 0 3 282.387 3.021 20 30 CGEDHN C=C[C@](C)(O)CN(Cc1ccccc1)Cc1cccnc1 ZINC001252549767 806062023 /nfs/dbraw/zinc/06/20/23/806062023.db2.gz HWGDQMIOYKYUFX-SFHVURJKSA-N 0 3 282.387 3.021 20 30 CGEDHN C=C[C@](C)(O)CN(Cc1ccccc1)Cc1ccncc1 ZINC001252548373 806062340 /nfs/dbraw/zinc/06/23/40/806062340.db2.gz QUVDINBKMZTCIC-SFHVURJKSA-N 0 3 282.387 3.021 20 30 CGEDHN C=C[C@](C)(O)CN[C@@H](c1ccccc1)c1cccc(OC)c1 ZINC001252582868 806075921 /nfs/dbraw/zinc/07/59/21/806075921.db2.gz XZWLBFRWGZHXTD-OALUTQOASA-N 0 3 297.398 3.311 20 30 CGEDHN C=CCC[C@H](O)CN(Cc1ccccc1)Cc1ccncc1 ZINC001252593529 806079437 /nfs/dbraw/zinc/07/94/37/806079437.db2.gz JHXRDXSKXCBSGN-IBGZPJMESA-N 0 3 296.414 3.411 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](c1cccnc1Cl)C1CC1 ZINC001252623645 806093468 /nfs/dbraw/zinc/09/34/68/806093468.db2.gz OAPSPRXRBUXGTB-GXTWGEPZSA-N 0 3 280.799 3.103 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](c1ccncc1Cl)C1CC1 ZINC001252622425 806094043 /nfs/dbraw/zinc/09/40/43/806094043.db2.gz UPUUKZNYCZZJCG-SWLSCSKDSA-N 0 3 280.799 3.103 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cncs1 ZINC001253246365 806193763 /nfs/dbraw/zinc/19/37/63/806193763.db2.gz NZYDPRKWOHGBIO-CYBMUJFWSA-N 0 3 268.426 3.120 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cncc(F)c1 ZINC001253248972 806195439 /nfs/dbraw/zinc/19/54/39/806195439.db2.gz FHGFHWQZUGBJIC-MRXNPFEDSA-N 0 3 280.387 3.198 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC2(C)CCCC2)CC1 ZINC001160021841 806215411 /nfs/dbraw/zinc/21/54/11/806215411.db2.gz ZEQTZTPSCXBYMF-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C=C[C@@H](O)CN1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001253587021 806265486 /nfs/dbraw/zinc/26/54/86/806265486.db2.gz XNGRZHFQPXYCIR-YSGRDPCXSA-N 0 3 291.394 3.410 20 30 CGEDHN CC(C)[C@@H](O)CN(CCC#N)C1CCCCCCC1 ZINC001253763369 806301287 /nfs/dbraw/zinc/30/12/87/806301287.db2.gz YBIZSIUFRSMRBI-INIZCTEOSA-N 0 3 266.429 3.332 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N(CCC)CCC ZINC001160856004 806310733 /nfs/dbraw/zinc/31/07/33/806310733.db2.gz HSJMKGHGMJZRPK-AWEZNQCLSA-N 0 3 254.418 3.099 20 30 CGEDHN C=CCCC1(C(=O)NCCC2=CCN(CC=C)CC2)CC1 ZINC001161112283 806350107 /nfs/dbraw/zinc/35/01/07/806350107.db2.gz FVECHKFMVIBRQP-UHFFFAOYSA-N 0 3 288.435 3.057 20 30 CGEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccccc1C#N ZINC001254536247 806444971 /nfs/dbraw/zinc/44/49/71/806444971.db2.gz AVBPSMODZMTBSH-ZDUSSCGKSA-N 0 3 295.342 3.187 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cc3ccccc3cn2)C1 ZINC001254635292 806465838 /nfs/dbraw/zinc/46/58/38/806465838.db2.gz FLEAQYJGHLQFFO-WFASDCNBSA-N 0 3 251.333 3.017 20 30 CGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1[C@@H]1CC[C@@H](C#N)C1 ZINC001254648016 806471166 /nfs/dbraw/zinc/47/11/66/806471166.db2.gz WZSWHNZLNQSCLK-GZBFAFLISA-N 0 3 280.375 3.435 20 30 CGEDHN N#C[C@H]1CC[C@H](NC2(c3ccccc3F)CCOCC2)C1 ZINC001254648379 806472897 /nfs/dbraw/zinc/47/28/97/806472897.db2.gz HQEFKXUPKYOOET-KBPBESRZSA-N 0 3 288.366 3.113 20 30 CGEDHN N#CCc1cc(F)cc(N[C@@H]2CNCc3ccsc32)c1 ZINC001163235613 806731380 /nfs/dbraw/zinc/73/13/80/806731380.db2.gz CJLIDRRPAWGGGV-CQSZACIVSA-N 0 3 287.363 3.210 20 30 CGEDHN Cc1cc(CC#N)ccc1N[C@@H]1CNCc2ccsc21 ZINC001163230963 806731644 /nfs/dbraw/zinc/73/16/44/806731644.db2.gz TWZMMXJNKZDLRJ-OAHLLOKOSA-N 0 3 283.400 3.379 20 30 CGEDHN N#Cc1cc2c(cccc2N[C@H]2CNCc3ccsc32)[nH]1 ZINC001163230631 806731972 /nfs/dbraw/zinc/73/19/72/806731972.db2.gz YSRIHDKOQLORQH-HNNXBMFYSA-N 0 3 294.383 3.357 20 30 CGEDHN C#C[C@H](CC)NCc1cc(C)cc(Br)c1 ZINC000389901106 799466269 /nfs/dbraw/zinc/46/62/69/799466269.db2.gz CCESSZHPHWICFE-CYBMUJFWSA-N 0 3 266.182 3.259 20 30 CGEDHN C[C@@H]1CC[C@H](NCc2cc(C#N)ccc2F)CS1 ZINC000689615462 799765981 /nfs/dbraw/zinc/76/59/81/799765981.db2.gz QKYUZAOKKPZFSE-MFKMUULPSA-N 0 3 264.369 3.071 20 30 CGEDHN C#CCN(CC#C)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256121269 806828039 /nfs/dbraw/zinc/82/80/39/806828039.db2.gz OMOOMGJCICWLJB-ROUUACIJSA-N 0 3 251.373 3.281 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)/C=C\C(C)(C)C)CC1 ZINC001163832018 806835071 /nfs/dbraw/zinc/83/50/71/806835071.db2.gz YPPFGVSXRIONEN-WAYWQWQTSA-N 0 3 298.858 3.217 20 30 CGEDHN C[C@@H](Cc1cccc(Br)c1)NCC1(C#N)CC1 ZINC001256177732 806844213 /nfs/dbraw/zinc/84/42/13/806844213.db2.gz QTOGTZJGOMABAO-NSHDSACASA-N 0 3 293.208 3.273 20 30 CGEDHN COC(=O)[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000933167999 800673571 /nfs/dbraw/zinc/67/35/71/800673571.db2.gz QRHDSOFJDQSRSL-HUUCEWRRSA-N 0 3 292.423 3.124 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001024804856 800737713 /nfs/dbraw/zinc/73/77/13/800737713.db2.gz JHGOKGCLZYVPQT-KRWDZBQOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917411 800825212 /nfs/dbraw/zinc/82/52/12/800825212.db2.gz ALTMKIZMRAWNTN-OAHLLOKOSA-N 0 3 286.419 3.190 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001028268748 800837139 /nfs/dbraw/zinc/83/71/39/800837139.db2.gz ZLRHEWDHXXAOBE-SFHVURJKSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001028285358 800839823 /nfs/dbraw/zinc/83/98/23/800839823.db2.gz WPIHAYZXJVZISY-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001032743086 800934747 /nfs/dbraw/zinc/93/47/47/800934747.db2.gz CXMYSPZUYWCIOV-QAETUUGQSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033698095 800975147 /nfs/dbraw/zinc/97/51/47/800975147.db2.gz MCHLKULXYAGZFW-UPTPFMHGSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033921535 800987635 /nfs/dbraw/zinc/98/76/35/800987635.db2.gz CAYOAUXWODVIGJ-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038246561 801123062 /nfs/dbraw/zinc/12/30/62/801123062.db2.gz NHAGKGROZIIIBZ-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001038500043 801127282 /nfs/dbraw/zinc/12/72/82/801127282.db2.gz COFVIKJYRWRYQD-MRXNPFEDSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038803030 801134102 /nfs/dbraw/zinc/13/41/02/801134102.db2.gz VUBCCJIPZCHGFG-GOSISDBHSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038983449 801139649 /nfs/dbraw/zinc/13/96/49/801139649.db2.gz SVBRCNSLRJWXEJ-KRWDZBQOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038983454 801140947 /nfs/dbraw/zinc/14/09/47/801140947.db2.gz SVBRCNSLRJWXEJ-QGZVFWFLSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001039335683 801159349 /nfs/dbraw/zinc/15/93/49/801159349.db2.gz JHYRUUUUKJORSQ-CVEARBPZSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001045439405 801276153 /nfs/dbraw/zinc/27/61/53/801276153.db2.gz LNOAQDVBWGZDGV-OAHLLOKOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1=CCCCCC1 ZINC001049446642 801374397 /nfs/dbraw/zinc/37/43/97/801374397.db2.gz YAWDXHSGCOVNBH-IRXDYDNUSA-N 0 3 288.435 3.128 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC1(C)C ZINC001049659923 801382752 /nfs/dbraw/zinc/38/27/52/801382752.db2.gz VBHWICKJLRZBKM-OWCLPIDISA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CCCC1 ZINC001049814817 801388479 /nfs/dbraw/zinc/38/84/79/801388479.db2.gz BCMKGUIHVHGNGD-CVEARBPZSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(C[C@H](F)CC)CC2)C1 ZINC001052693686 801448248 /nfs/dbraw/zinc/44/82/48/801448248.db2.gz XFMDZQYQFRSOJS-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071419847 801535234 /nfs/dbraw/zinc/53/52/34/801535234.db2.gz FQFJJBQDUKOITP-PBHICJAKSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(CC=C(C)C)C2)C1 ZINC001071804161 801553829 /nfs/dbraw/zinc/55/38/29/801553829.db2.gz XQZHKEXNUCJCFG-HZPDHXFCSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001080561197 801654197 /nfs/dbraw/zinc/65/41/97/801654197.db2.gz BSYDRIOZUDMNSH-ZYHUDNBSSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658628 801698208 /nfs/dbraw/zinc/69/82/08/801698208.db2.gz WZEUDPZFBPIVCB-LLVKDONJSA-N 0 3 298.839 3.124 20 30 CGEDHN C=Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCC(=C)C)cc1 ZINC001085835891 801707179 /nfs/dbraw/zinc/70/71/79/801707179.db2.gz WGDXRHLASXEEDM-SFHVURJKSA-N 0 3 298.430 3.442 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001085833880 801707663 /nfs/dbraw/zinc/70/76/63/801707663.db2.gz WAKLMCODHDYJMZ-KRWDZBQOSA-N 0 3 284.403 3.052 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C2CC2)c1 ZINC001085991460 801716984 /nfs/dbraw/zinc/71/69/84/801716984.db2.gz OAOVXINJSNAIMB-GOSISDBHSA-N 0 3 298.430 3.286 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001086779281 801735240 /nfs/dbraw/zinc/73/52/40/801735240.db2.gz GPFVSVSLSVSJIG-BFHYXJOUSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1CC ZINC001087569423 801757540 /nfs/dbraw/zinc/75/75/40/801757540.db2.gz VJXGITXJFHWNEQ-HRCADAONSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1CC ZINC001087584056 801757855 /nfs/dbraw/zinc/75/78/55/801757855.db2.gz LLCWWKADUQKALJ-YESZJQIVSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1CC ZINC001087721790 801766786 /nfs/dbraw/zinc/76/67/86/801766786.db2.gz FTPWLMGZVCURAJ-AEGPPILISA-N 0 3 292.448 3.007 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088495438 801796887 /nfs/dbraw/zinc/79/68/87/801796887.db2.gz UAXVNJCWDJOZDT-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC ZINC001098916772 801921051 /nfs/dbraw/zinc/92/10/51/801921051.db2.gz UFJMXVHPSXCUMG-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001099230224 801934129 /nfs/dbraw/zinc/93/41/29/801934129.db2.gz QYWGONYBSUFGFB-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCC2CC2)C1 ZINC001102796777 802020770 /nfs/dbraw/zinc/02/07/70/802020770.db2.gz DDSWSVDMXZWXPE-IUODEOHRSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001110367561 802138989 /nfs/dbraw/zinc/13/89/89/802138989.db2.gz LSUSJOBLGYNXSC-KURKYZTESA-N 0 3 298.430 3.183 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001111888650 802170620 /nfs/dbraw/zinc/17/06/20/802170620.db2.gz OKKSMKKJVONZRT-JZXOWHBKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC001112821192 802190996 /nfs/dbraw/zinc/19/09/96/802190996.db2.gz PHHBHXBOHBGNBG-OAHLLOKOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)CC2CCC2)CCCCC1 ZINC001115464948 802264203 /nfs/dbraw/zinc/26/42/03/802264203.db2.gz QBTVSEQNUCBHNU-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OCCC)cc1 ZINC001116643529 802391297 /nfs/dbraw/zinc/39/12/97/802391297.db2.gz QWHGHVWQDKWWME-DZGCQCFKSA-N 0 3 263.381 3.327 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC)CCCCC ZINC001176720590 809750359 /nfs/dbraw/zinc/75/03/59/809750359.db2.gz CSUKACSQZCPIGH-AWEZNQCLSA-N 0 3 288.863 3.441 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2(C)CC2)cc1 ZINC001122542969 802875318 /nfs/dbraw/zinc/87/53/18/802875318.db2.gz XJMSXWVKXNERJB-OAHLLOKOSA-N 0 3 298.386 3.477 20 30 CGEDHN N#C[C@@H]1CC[C@@H](OC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001122647189 802878594 /nfs/dbraw/zinc/87/85/94/802878594.db2.gz LHZLTGJVRWCUHX-RHSMWYFYSA-N 0 3 298.386 3.131 20 30 CGEDHN C=C(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001123541331 802952410 /nfs/dbraw/zinc/95/24/10/802952410.db2.gz DLJPWSABSGXVIJ-QGZVFWFLSA-N 0 3 286.419 3.214 20 30 CGEDHN N#C[C@H]1CC=C(c2cc(N3CCCC3)ccn2)CC1 ZINC001243790269 803009321 /nfs/dbraw/zinc/00/93/21/803009321.db2.gz PWSUALPPXWPBCP-ZDUSSCGKSA-N 0 3 253.349 3.389 20 30 CGEDHN C=C(C)CCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001128405054 803189997 /nfs/dbraw/zinc/18/99/97/803189997.db2.gz LSEGZCSCQXIFNC-UHFFFAOYSA-N 0 3 298.789 3.041 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131900343 803355196 /nfs/dbraw/zinc/35/51/96/803355196.db2.gz XCYCLHZJTOIRKQ-CABCVRRESA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)C2CC2)CC[C@H]1C ZINC001132007343 803367421 /nfs/dbraw/zinc/36/74/21/803367421.db2.gz ZKXHGSFFTHLGEU-ZBFHGGJFSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132060122 803371688 /nfs/dbraw/zinc/37/16/88/803371688.db2.gz ACNVGKVUTHIBEE-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001132071481 803372118 /nfs/dbraw/zinc/37/21/18/803372118.db2.gz BDFAIMFAKSOFNA-JKSUJKDBSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCCF)C2)CCC1 ZINC001132281810 803390459 /nfs/dbraw/zinc/39/04/59/803390459.db2.gz FSWFVBLEMLSOFP-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCCF)C2)CCC1 ZINC001132281809 803391112 /nfs/dbraw/zinc/39/11/12/803391112.db2.gz FSWFVBLEMLSOFP-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132332850 803396049 /nfs/dbraw/zinc/39/60/49/803396049.db2.gz XKBJYHNBJOGYJV-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN Cc1ccc(-c2cnccc2/C=C/N(C)C)cc1C#N ZINC001244496594 803404108 /nfs/dbraw/zinc/40/41/08/803404108.db2.gz VCEQEDUTKBNOGU-VQHVLOKHSA-N 0 3 263.344 3.461 20 30 CGEDHN CN1CCc2ccc(-c3cc(C#N)ccc3F)cc2C1 ZINC001244559163 803438219 /nfs/dbraw/zinc/43/82/19/803438219.db2.gz HWPFDONJJGAHQH-UHFFFAOYSA-N 0 3 266.319 3.352 20 30 CGEDHN COc1ccc(-c2ccc(CN(C)C3CC3)cn2)cc1C#N ZINC001244708052 803507120 /nfs/dbraw/zinc/50/71/20/803507120.db2.gz UQMILZDLXBUWMK-UHFFFAOYSA-N 0 3 293.370 3.223 20 30 CGEDHN Cc1csc(CN2CCC3SC(=O)C=C3C2)c1Cl ZINC001137289366 803709882 /nfs/dbraw/zinc/70/98/82/803709882.db2.gz ZIGJOEPJTUOSKF-JTQLQIEISA-N 0 3 299.848 3.484 20 30 CGEDHN CCCCCCCN(C)Cc1cccc(OC)n1 ZINC001137532135 803738763 /nfs/dbraw/zinc/73/87/63/803738763.db2.gz MBNDQULZFNHRFB-UHFFFAOYSA-N 0 3 250.386 3.492 20 30 CGEDHN O=C1C=C2CN(Cc3ccc4ncccc4c3)CCC2S1 ZINC001138107247 803857704 /nfs/dbraw/zinc/85/77/04/803857704.db2.gz NTPUNFIEHVKMAZ-INIZCTEOSA-N 0 3 296.395 3.009 20 30 CGEDHN O=C1C=C2CN(Cc3ccc4ncccc4c3)CC[C@@H]2S1 ZINC001138107247 803857712 /nfs/dbraw/zinc/85/77/12/803857712.db2.gz NTPUNFIEHVKMAZ-INIZCTEOSA-N 0 3 296.395 3.009 20 30 CGEDHN COC[C@@H]1CCN1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336363 803898068 /nfs/dbraw/zinc/89/80/68/803898068.db2.gz QXLPPQWQSASGEN-FQEVSTJZSA-N 0 3 291.394 3.307 20 30 CGEDHN C=CCOc1ccccc1CN1CCN(C(C)(C)C)CC1 ZINC001139029847 804114224 /nfs/dbraw/zinc/11/42/24/804114224.db2.gz RQCBOYKFJJFCSK-UHFFFAOYSA-N 0 3 288.435 3.168 20 30 CGEDHN CCCCCCC[C@@H](CC(C)C)N[C@@H]1CNCCC1=O ZINC001246287123 804259912 /nfs/dbraw/zinc/25/99/12/804259912.db2.gz FJKSTDACVOTUKG-JKSUJKDBSA-N 0 3 282.472 3.282 20 30 CGEDHN C[C@@]1(F)CCCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC001139873172 804306166 /nfs/dbraw/zinc/30/61/66/804306166.db2.gz DAJZDKOFYZQQRT-OAHLLOKOSA-N 0 3 264.319 3.411 20 30 CGEDHN CC(C)N(Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140540632 804456157 /nfs/dbraw/zinc/45/61/57/804456157.db2.gz FKLOCOLAGQHZDV-UHFFFAOYSA-N 0 3 265.360 3.364 20 30 CGEDHN CN(Cc1ccc2ncn(C)c2c1)Cc1cccc(C#N)c1 ZINC001140740380 804500475 /nfs/dbraw/zinc/50/04/75/804500475.db2.gz JIENDDBCUFQFIH-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN C=CCCCC[N@@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141031061 804574423 /nfs/dbraw/zinc/57/44/23/804574423.db2.gz WUQKLKMWCAKFJI-UHFFFAOYSA-N 0 3 279.380 3.198 20 30 CGEDHN C=CCCCC[N@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141031061 804574428 /nfs/dbraw/zinc/57/44/28/804574428.db2.gz WUQKLKMWCAKFJI-UHFFFAOYSA-N 0 3 279.380 3.198 20 30 CGEDHN CCCCCCCCNC(=S)NC[C@@H]1CCCCN1C ZINC001247166174 804672683 /nfs/dbraw/zinc/67/26/83/804672683.db2.gz FARSSLJLVWBYKG-HNNXBMFYSA-N 0 3 299.528 3.295 20 30 CGEDHN Cc1ccc2ccccc2c1CN1CC(CC#N)C1 ZINC001142372310 804720993 /nfs/dbraw/zinc/72/09/93/804720993.db2.gz ZTYFCZQALAUSMJ-UHFFFAOYSA-N 0 3 250.345 3.494 20 30 CGEDHN CCOC(=O)c1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001142599325 804744376 /nfs/dbraw/zinc/74/43/76/804744376.db2.gz FUISFEVOKGTGRI-XGBSXSJOSA-N 0 3 298.386 3.130 20 30 CGEDHN N#Cc1ccc2c(CN3CCC[C@H]4C[C@H]43)c[nH]c2c1 ZINC001142925660 804785111 /nfs/dbraw/zinc/78/51/11/804785111.db2.gz AZVVYAGHCBHDGR-BLLLJJGKSA-N 0 3 251.333 3.024 20 30 CGEDHN C=CC[C@@H](C)C(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001144021650 804925284 /nfs/dbraw/zinc/92/52/84/804925284.db2.gz UBVSLRHTAPDORR-CQSZACIVSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C2)C1 ZINC001148436010 805182426 /nfs/dbraw/zinc/18/24/26/805182426.db2.gz CLPBJJHRMWRTAF-CABCVRRESA-N 0 3 292.467 3.025 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](CCC)CC(C)C)C2)C1 ZINC001148869094 805212935 /nfs/dbraw/zinc/21/29/35/805212935.db2.gz YHYAJIPQUQOZMX-INIZCTEOSA-N 0 3 292.467 3.169 20 30 CGEDHN CCOC(=O)c1ccc(C[C@H](C)N[C@H](CC)CC#N)cc1 ZINC001257150834 807056550 /nfs/dbraw/zinc/05/65/50/807056550.db2.gz GYGAQVRXGPSUGB-XJKSGUPXSA-N 0 3 288.391 3.076 20 30 CGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H]2CCCC[C@@H]2C)c1 ZINC001167072990 807143005 /nfs/dbraw/zinc/14/30/05/807143005.db2.gz WWZLWYGDXPCRGA-DOTOQJQBSA-N 0 3 298.430 3.365 20 30 CGEDHN C=C1C[C@@H]2CC(N(C)c3nc(CN)ccc3C)C[C@H](C1)C2 ZINC001257887146 807238420 /nfs/dbraw/zinc/23/84/20/807238420.db2.gz JKLWUOIERLPUMO-FKEKPDDDSA-N 0 3 285.435 3.420 20 30 CGEDHN Cc1nc2ccc(N[C@H]3CC[C@H](C#N)CC3)cc2[nH]1 ZINC001167844646 807261371 /nfs/dbraw/zinc/26/13/71/807261371.db2.gz SFVWVQBCDBHUST-HAQNSBGRSA-N 0 3 254.337 3.366 20 30 CGEDHN N#Cc1c[nH]c2cc(N(C(=N)N)c3ccc(F)cc3)ccc12 ZINC001167991621 807292530 /nfs/dbraw/zinc/29/25/30/807292530.db2.gz KSMOQSFXOULXDD-UHFFFAOYSA-N 0 3 293.305 3.210 20 30 CGEDHN CCCCCCCCC[C@@H](C)N1CCN(C(N)=O)CC1 ZINC001258227696 807376857 /nfs/dbraw/zinc/37/68/57/807376857.db2.gz AIKGCEKSQPTEHN-OAHLLOKOSA-N 0 3 283.460 3.212 20 30 CGEDHN C=CCC[C@@H](C)NCc1cc(OCC2CCC2)ncn1 ZINC001258722621 807570814 /nfs/dbraw/zinc/57/08/14/807570814.db2.gz LFIBAISJGVQNQW-CYBMUJFWSA-N 0 3 275.396 3.100 20 30 CGEDHN C=CCC[C@@H](C)NCc1nc(Br)cs1 ZINC001258724274 807572471 /nfs/dbraw/zinc/57/24/71/807572471.db2.gz SJMXBMMIVGHVJT-MRVPVSSYSA-N 0 3 275.215 3.350 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001258725139 807573257 /nfs/dbraw/zinc/57/32/57/807573257.db2.gz IFRXDZCDAGRXGE-UONOGXRCSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258729979 807576167 /nfs/dbraw/zinc/57/61/67/807576167.db2.gz ZZEFBZVBVUNSTG-SOUVJXGZSA-N 0 3 294.439 3.425 20 30 CGEDHN CC[C@H](Cc1ccccc1)NC(=N)c1ccc(Cl)cn1 ZINC001258839449 807652583 /nfs/dbraw/zinc/65/25/83/807652583.db2.gz ZYXUAOPGMBFRAV-CQSZACIVSA-N 0 3 287.794 3.462 20 30 CGEDHN N#CC[C@@H]1CCCN([C@@H]2CCc3c2cccc3F)C1 ZINC001261641091 807772589 /nfs/dbraw/zinc/77/25/89/807772589.db2.gz WFGSDELYFOKQMS-BLLLJJGKSA-N 0 3 258.340 3.439 20 30 CGEDHN N#CC1(c2ccccc2)CCC(N2CCOC3(CC3)C2)CC1 ZINC001170399073 807834182 /nfs/dbraw/zinc/83/41/82/807834182.db2.gz YDRPNFZFWIUFBH-UHFFFAOYSA-N 0 3 296.414 3.255 20 30 CGEDHN CC1(C#N)CCN([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170708062 807881642 /nfs/dbraw/zinc/88/16/42/807881642.db2.gz YWMCEUSZYDJIMF-CQSZACIVSA-N 0 3 290.357 3.448 20 30 CGEDHN CC[C@H](CC#N)NCC1([C@@H]2CCCCO2)CCC1 ZINC001170948385 807941565 /nfs/dbraw/zinc/94/15/65/807941565.db2.gz HXNNCONJKOYDQU-KGLIPLIRSA-N 0 3 250.386 3.008 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cnccc1Cl ZINC001171176627 808000754 /nfs/dbraw/zinc/00/07/54/808000754.db2.gz ULGDINKXOSNUTB-GFCCVEGCSA-N 0 3 285.778 3.327 20 30 CGEDHN C=CC[C@H](C)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001171199913 808008147 /nfs/dbraw/zinc/00/81/47/808008147.db2.gz IWRWVUMUAQXFFJ-ZDUSSCGKSA-N 0 3 282.428 3.282 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC[C@H]1c1cnccn1 ZINC001171220856 808011045 /nfs/dbraw/zinc/01/10/45/808011045.db2.gz FADMIOYHVGLFLL-KSSFIOAISA-N 0 3 292.386 3.116 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCC(C)C)C1 ZINC001263889714 808018221 /nfs/dbraw/zinc/01/82/21/808018221.db2.gz LPBOHOFUIYCQEO-UONOGXRCSA-N 0 3 286.847 3.050 20 30 CGEDHN C#C[C@H]1CCCN([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171387438 808042942 /nfs/dbraw/zinc/04/29/42/808042942.db2.gz HIVCMGKRQBMVGE-WFASDCNBSA-N 0 3 275.342 3.167 20 30 CGEDHN N#Cc1ccccc1CN[C@@H]1CCc2c(F)cccc2C1 ZINC001171402637 808046945 /nfs/dbraw/zinc/04/69/45/808046945.db2.gz SAYMOWANZBBGPA-MRXNPFEDSA-N 0 3 280.346 3.344 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cc(F)c(F)cc3C2)CCC1 ZINC001171451230 808062334 /nfs/dbraw/zinc/06/23/34/808062334.db2.gz YAAJICCRLSMKIU-ZDUSSCGKSA-N 0 3 276.330 3.106 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC001264454539 808073316 /nfs/dbraw/zinc/07/33/16/808073316.db2.gz CAFIVRLQTVHOIO-JYASZMECSA-N 0 3 298.858 3.216 20 30 CGEDHN CC1(C#N)CCN([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495155 808077415 /nfs/dbraw/zinc/07/74/15/808077415.db2.gz YBOXMISSNGCNIT-CQSZACIVSA-N 0 3 290.357 3.448 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)c1ccccc1 ZINC001264837566 808097272 /nfs/dbraw/zinc/09/72/72/808097272.db2.gz JGLXUGXBOUAEJZ-HNNXBMFYSA-N 0 3 274.408 3.184 20 30 CGEDHN C#CCN(CCC1CCCCCC1)C1CSC1 ZINC001171867355 808150246 /nfs/dbraw/zinc/15/02/46/808150246.db2.gz CCRBPDVMFRGDTP-UHFFFAOYSA-N 0 3 251.439 3.398 20 30 CGEDHN C=CCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001265468430 808146235 /nfs/dbraw/zinc/14/62/35/808146235.db2.gz CKKLNGZHNJTXTE-IHRRRGAJSA-N 0 3 290.382 3.090 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1nc2ccccc2o1 ZINC001172293886 808217696 /nfs/dbraw/zinc/21/76/96/808217696.db2.gz YOXYPFJYVJHTGU-CYBMUJFWSA-N 0 3 291.354 3.420 20 30 CGEDHN CC[C@H](C)OCC[C@@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001172324218 808232583 /nfs/dbraw/zinc/23/25/83/808232583.db2.gz FXZIFNRVKLFLMB-MNOVXSKESA-N 0 3 283.803 3.034 20 30 CGEDHN CC[C@H](C)OCC[C@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001172324220 808233215 /nfs/dbraw/zinc/23/32/15/808233215.db2.gz FXZIFNRVKLFLMB-QWRGUYRKSA-N 0 3 283.803 3.034 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001266343883 808245162 /nfs/dbraw/zinc/24/51/62/808245162.db2.gz AMIFIZJDJZTCFF-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CCN2CCOC[C@@H]2C1 ZINC001172357911 808252507 /nfs/dbraw/zinc/25/25/07/808252507.db2.gz MUEBPACIBUCBMS-SJORKVTESA-N 0 3 282.472 3.142 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001266482689 808274529 /nfs/dbraw/zinc/27/45/29/808274529.db2.gz HCBNDUWUSKKDTM-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C=C ZINC001266491071 808275854 /nfs/dbraw/zinc/27/58/54/808275854.db2.gz BWYTZUFPKGEFMF-OAGGEKHMSA-N 0 3 290.451 3.229 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001266630418 808298998 /nfs/dbraw/zinc/29/89/98/808298998.db2.gz NXYDKONGAPSOMC-JOCQHMNTSA-N 0 3 286.847 3.048 20 30 CGEDHN CCCCCCC[C@H](CCC)N1CCO[C@@H](CO)C1 ZINC001172507865 808364695 /nfs/dbraw/zinc/36/46/95/808364695.db2.gz BZZJMHHPEHSJQS-JKSUJKDBSA-N 0 3 271.445 3.209 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(Cc2cccc(F)c2)CC1 ZINC001172507953 808365166 /nfs/dbraw/zinc/36/51/66/808365166.db2.gz ZJCRVCHYLGRNKC-OAHLLOKOSA-N 0 3 289.398 3.026 20 30 CGEDHN C#CCN(CC#C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172549355 808378821 /nfs/dbraw/zinc/37/88/21/808378821.db2.gz OMOOMGJCICWLJB-QZTJIDSGSA-N 0 3 251.373 3.281 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1cccc(C)c1 ZINC001267219723 808382841 /nfs/dbraw/zinc/38/28/41/808382841.db2.gz YUNZWJBRYUNQNJ-UHFFFAOYSA-N 0 3 288.435 3.145 20 30 CGEDHN C=CCCCC(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001267214409 808384295 /nfs/dbraw/zinc/38/42/95/808384295.db2.gz WURIUCPLLKEOJS-CQSZACIVSA-N 0 3 292.398 3.291 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)C[C@@H](C)CC)c1ccccc1 ZINC001267356648 808420027 /nfs/dbraw/zinc/42/00/27/808420027.db2.gz GUSHIAZSRARCAH-RDJZCZTQSA-N 0 3 288.435 3.446 20 30 CGEDHN C=CCCC(=O)NC[C@H](NCC=C(C)C)c1ccccc1 ZINC001267516141 808436299 /nfs/dbraw/zinc/43/62/99/808436299.db2.gz APDFNAPILAKQQB-KRWDZBQOSA-N 0 3 286.419 3.366 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)CCC)c1ccccc1 ZINC001267516508 808437576 /nfs/dbraw/zinc/43/75/76/808437576.db2.gz DVRUUIHFSCHYJP-RDJZCZTQSA-N 0 3 288.435 3.446 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)CC1CCC1)c1ccccc1 ZINC001267517463 808437669 /nfs/dbraw/zinc/43/76/69/808437669.db2.gz PLSRIDHFNPYOHS-KRWDZBQOSA-N 0 3 286.419 3.200 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccc(CC)cc1 ZINC001268231429 808563956 /nfs/dbraw/zinc/56/39/56/808563956.db2.gz CGWRLLIKHIBZEJ-UHFFFAOYSA-N 0 3 288.435 3.105 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)CCCCC(C)(C)C ZINC001268731538 808617956 /nfs/dbraw/zinc/61/79/56/808617956.db2.gz OCWKFENONQBHAN-CQSZACIVSA-N 0 3 268.445 3.215 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1CCCC1 ZINC001269189604 808653449 /nfs/dbraw/zinc/65/34/49/808653449.db2.gz VXOLRWLQWKQCCD-MRXNPFEDSA-N 0 3 280.456 3.338 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001269268225 808661687 /nfs/dbraw/zinc/66/16/87/808661687.db2.gz JHYKIJCHJIIMLH-HOTGVXAUSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001271016462 808758821 /nfs/dbraw/zinc/75/88/21/808758821.db2.gz GTTHCLYJBYDMOT-MRXNPFEDSA-N 0 3 280.456 3.217 20 30 CGEDHN Cc1nc(C#N)ccc1Nc1ccccc1CN(C)C ZINC001173929743 808768333 /nfs/dbraw/zinc/76/83/33/808768333.db2.gz GURRYUGXICTXJJ-UHFFFAOYSA-N 0 3 266.348 3.067 20 30 CGEDHN COc1ccc(Nc2ccccc2CN(C)C)cc1C#N ZINC001173931481 808771207 /nfs/dbraw/zinc/77/12/07/808771207.db2.gz KLRLRPSZCOWAOX-UHFFFAOYSA-N 0 3 281.359 3.372 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CCC)CCC1 ZINC001272031886 808793693 /nfs/dbraw/zinc/79/36/93/808793693.db2.gz AVQOUHFNIQKUCA-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCCC ZINC001272045147 808794441 /nfs/dbraw/zinc/79/44/41/808794441.db2.gz UGKOIGMHBJPLBD-IRXDYDNUSA-N 0 3 290.451 3.045 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@H](CC)c1ccccc1 ZINC001272151853 808799406 /nfs/dbraw/zinc/79/94/06/808799406.db2.gz FXBWZBNMKMXIPU-INIZCTEOSA-N 0 3 288.435 3.147 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001272535027 808815673 /nfs/dbraw/zinc/81/56/73/808815673.db2.gz UONKCVYZETWYSO-CQSZACIVSA-N 0 3 298.858 3.147 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001273464355 808847158 /nfs/dbraw/zinc/84/71/58/808847158.db2.gz BPTFCULNHWPCDX-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1ccc(CC)cc1 ZINC001275520849 808944104 /nfs/dbraw/zinc/94/41/04/808944104.db2.gz JUPXGSPTEFPVSE-OAHLLOKOSA-N 0 3 288.435 3.152 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001276833827 809035554 /nfs/dbraw/zinc/03/55/54/809035554.db2.gz GOZHEINWIOXJSP-ZFWWWQNUSA-N 0 3 294.414 3.329 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001276900198 809042115 /nfs/dbraw/zinc/04/21/15/809042115.db2.gz QSTKXWPZVBCTOE-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCN2CCC(C)C)CCCC1 ZINC001276986201 809051686 /nfs/dbraw/zinc/05/16/86/809051686.db2.gz SKHUEOOSOZEHKN-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)CC1CCCC1 ZINC001277114668 809058269 /nfs/dbraw/zinc/05/82/69/809058269.db2.gz QQTFEWCXCAVNKA-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001278094650 809114865 /nfs/dbraw/zinc/11/48/65/809114865.db2.gz LVZGKXJADPQFTE-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@]1(C)CCN(CC=C(C)C)C1 ZINC001278396102 809130361 /nfs/dbraw/zinc/13/03/61/809130361.db2.gz MISLHLPHLYAZSA-SFHVURJKSA-N 0 3 290.451 3.302 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001279644124 809177438 /nfs/dbraw/zinc/17/74/38/809177438.db2.gz NEIXMRASJCIMKZ-INIZCTEOSA-N 0 3 298.430 3.033 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CC1CCCCC1 ZINC001281689405 809218417 /nfs/dbraw/zinc/21/84/17/809218417.db2.gz HVKLBTULKDQUFP-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cccc(F)c1 ZINC001283122646 809271371 /nfs/dbraw/zinc/27/13/71/809271371.db2.gz GAKDMBOZEUXXEA-LBPRGKRZSA-N 0 3 298.789 3.066 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)CCC)[C@H]1C ZINC001284133093 809297441 /nfs/dbraw/zinc/29/74/41/809297441.db2.gz UGRQZNPQDBUAFH-CABCVRRESA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H](F)c1ccccc1)C(C)C ZINC001284544930 809309503 /nfs/dbraw/zinc/30/95/03/809309503.db2.gz QNIMWYHMXYTFHH-MRXNPFEDSA-N 0 3 292.398 3.052 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC)CC(C)C ZINC001297373336 809516451 /nfs/dbraw/zinc/51/64/51/809516451.db2.gz SLFDTLUNOSXQRH-OAHLLOKOSA-N 0 3 268.445 3.025 20 30 CGEDHN C=CCC1(CNCc2cn(-c3ccccc3)nn2)CCCC1 ZINC001178709161 809884575 /nfs/dbraw/zinc/88/45/75/809884575.db2.gz AIKIYRYPYICVQM-UHFFFAOYSA-N 0 3 296.418 3.493 20 30 CGEDHN C=CCN(C(=O)[C@@H]1CCCCN1CC)C1CCCCC1 ZINC001181993121 810088218 /nfs/dbraw/zinc/08/82/18/810088218.db2.gz AIBDVGIJVQMGLS-INIZCTEOSA-N 0 3 278.440 3.208 20 30 CGEDHN C=C(CN1CCCC1)C(=O)Nc1cc2ccccc2s1 ZINC001183038764 810135351 /nfs/dbraw/zinc/13/53/51/810135351.db2.gz IIKCXTDABWJNKS-UHFFFAOYSA-N 0 3 286.400 3.492 20 30 CGEDHN C[C@@]1(c2ccccc2)CC[C@H](NCC2(C#N)CCOCC2)C1 ZINC001184276164 810187625 /nfs/dbraw/zinc/18/76/25/810187625.db2.gz DEQYDVMLUWZZNI-ZWKOTPCHSA-N 0 3 298.430 3.407 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191423197 810712722 /nfs/dbraw/zinc/71/27/22/810712722.db2.gz OKXZRCHOHGUBIH-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194190442 811032253 /nfs/dbraw/zinc/03/22/53/811032253.db2.gz DTHILYAMHLMUGI-CQSZACIVSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCCN(CCCCCF)CC1 ZINC001196889932 811379397 /nfs/dbraw/zinc/37/93/97/811379397.db2.gz LXJOSTLRAZCVHL-INIZCTEOSA-N 0 3 298.446 3.263 20 30 CGEDHN CC(C)C[C@H](C)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC001197041037 811395154 /nfs/dbraw/zinc/39/51/54/811395154.db2.gz GEPCRZLUINTDBX-AWEZNQCLSA-N 0 3 289.398 3.254 20 30 CGEDHN CCCCCCCCCN1CCCC[C@@H]1C(N)=O ZINC001201847549 811971597 /nfs/dbraw/zinc/97/15/97/811971597.db2.gz XGNOYGVWOCYGSF-CQSZACIVSA-N 0 3 254.418 3.077 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C=C(/C)CC)C12CCC2 ZINC001202845854 812186689 /nfs/dbraw/zinc/18/66/89/812186689.db2.gz FMFUBJKGOFQEFD-RDNHTORASA-N 0 3 296.842 3.112 20 30 CGEDHN O=C1C=C2CN(Cc3cccc(Cl)c3)CCC2S1 ZINC001203797742 812463698 /nfs/dbraw/zinc/46/36/98/812463698.db2.gz PKDCFBXZSVMLPS-CYBMUJFWSA-N 0 3 279.792 3.114 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322611 812613196 /nfs/dbraw/zinc/61/31/96/812613196.db2.gz UARVANVOWZYORL-UHFFFAOYSA-N 0 3 283.419 3.412 20 30 CGEDHN N#Cc1ccc2c(c1)CCN(CCc1ccccc1F)C2 ZINC001207496862 813578200 /nfs/dbraw/zinc/57/82/00/813578200.db2.gz SBIRKJGQLQAWJL-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN COC(C)(C)CCC[C@@H](C)CCN1CC(CC#N)C1 ZINC001208201311 813742564 /nfs/dbraw/zinc/74/25/64/813742564.db2.gz CGCQKKCAZGULCW-CQSZACIVSA-N 0 3 266.429 3.453 20 30 CGEDHN N#Cc1ccc(CCCN2CC3(C2)C[C@@H](F)CS3)cc1 ZINC001208862242 813872860 /nfs/dbraw/zinc/87/28/60/813872860.db2.gz FHCZIZJRCMMXFW-OAHLLOKOSA-N 0 3 290.407 3.020 20 30 CGEDHN CC[N@H+](CCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001208926788 813901843 /nfs/dbraw/zinc/90/18/43/813901843.db2.gz BPXIZCGKZSBTIO-UHFFFAOYSA-N 0 3 280.371 3.328 20 30 CGEDHN CC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001208926788 813901849 /nfs/dbraw/zinc/90/18/49/813901849.db2.gz BPXIZCGKZSBTIO-UHFFFAOYSA-N 0 3 280.371 3.328 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001209188410 813959811 /nfs/dbraw/zinc/95/98/11/813959811.db2.gz VSFJDJYZLWNBBI-RBSFLKMASA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCCCCN1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001209203652 813966398 /nfs/dbraw/zinc/96/63/98/813966398.db2.gz RPHRDBFAMMAQDN-MRXNPFEDSA-N 0 3 291.439 3.195 20 30 CGEDHN C=CCCCCCN1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001209424317 814025963 /nfs/dbraw/zinc/02/59/63/814025963.db2.gz PCMXXNJESDVUEL-INIZCTEOSA-N 0 3 291.439 3.102 20 30 CGEDHN C=CCCCCCN(C)[C@H](C(=O)OC)[C@@H](C)CC ZINC001209432548 814032925 /nfs/dbraw/zinc/03/29/25/814032925.db2.gz GSLULCRGXGATBX-KBPBESRZSA-N 0 3 255.402 3.252 20 30 CGEDHN C=CCCCCCCN1CCCC[C@]12CC(=O)N(C)C2 ZINC001209435469 814036866 /nfs/dbraw/zinc/03/68/66/814036866.db2.gz KBQCBYDEEWSLAV-QGZVFWFLSA-N 0 3 278.440 3.210 20 30 CGEDHN CN(C)Cc1cccc(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001210151552 814313697 /nfs/dbraw/zinc/31/36/97/814313697.db2.gz LQDMLINESULZKU-UHFFFAOYSA-N 0 3 272.392 3.433 20 30 CGEDHN N#Cc1ccc(-c2ccc(O[C@@H]3CCNC[C@@H]3F)cc2)cc1 ZINC001218064406 816083024 /nfs/dbraw/zinc/08/30/24/816083024.db2.gz KVLVHGSBKMFWCO-ZWKOTPCHSA-N 0 3 296.345 3.304 20 30 CGEDHN N#Cc1cc(O[C@@H]2CNCc3ccccc32)ccc1Cl ZINC001218491237 816245581 /nfs/dbraw/zinc/24/55/81/816245581.db2.gz UQIMEPXIXMUDSO-MRXNPFEDSA-N 0 3 284.746 3.435 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCCC(C)(C)C)[C@@H]2C1 ZINC001221443065 816314060 /nfs/dbraw/zinc/31/40/60/816314060.db2.gz JDJJMMQTBIVJNP-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)CC(C)(C)C)C[C@@H]21 ZINC001223629574 816660492 /nfs/dbraw/zinc/66/04/92/816660492.db2.gz YEYRAAIAAYMCCO-OAGGEKHMSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCC(C)(C)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001224665431 816846490 /nfs/dbraw/zinc/84/64/90/816846490.db2.gz IKSPMSZHPLBGET-OAHLLOKOSA-N 0 3 298.446 3.165 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001225403007 817040077 /nfs/dbraw/zinc/04/00/77/817040077.db2.gz NPCANDJKTFVKPA-YWOVDUEISA-N 0 3 298.858 3.358 20 30 CGEDHN CN1CCC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226999388 817530537 /nfs/dbraw/zinc/53/05/37/817530537.db2.gz OBLRCFBEUPRQNG-LBPRGKRZSA-N 0 3 284.281 3.050 20 30 CGEDHN CCCc1cc(C)nc(O[C@@H]2CCN(C(C)C)C2)c1C#N ZINC001228599261 817949615 /nfs/dbraw/zinc/94/96/15/817949615.db2.gz BYHRHRPQXZRLFE-OAHLLOKOSA-N 0 3 287.407 3.076 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CC/C=C\CCC ZINC001231169956 818050405 /nfs/dbraw/zinc/05/04/05/818050405.db2.gz LRZMMXKKNWIHJE-HLRDLLSLSA-N 0 3 278.440 3.232 20 30 CGEDHN C#Cc1cccc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1 ZINC001231657397 818149909 /nfs/dbraw/zinc/14/99/09/818149909.db2.gz JVEKOSJKRUVDDB-OALUTQOASA-N 0 3 287.362 3.080 20 30 CGEDHN C=CC[N@@H+](Cc1nc(C)ccc1[O-])C1CCCCC1 ZINC001231674735 818156725 /nfs/dbraw/zinc/15/67/25/818156725.db2.gz GOZMFYBNEPDIJG-UHFFFAOYSA-N 0 3 260.381 3.416 20 30 CGEDHN C=CC[N@H+](Cc1nc(C)ccc1[O-])C1CCCCC1 ZINC001231674735 818156728 /nfs/dbraw/zinc/15/67/28/818156728.db2.gz GOZMFYBNEPDIJG-UHFFFAOYSA-N 0 3 260.381 3.416 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cccn2Cc2ccccc2)C1 ZINC001232233740 818288687 /nfs/dbraw/zinc/28/86/87/818288687.db2.gz MOPDYDYOZFIUDL-QGZVFWFLSA-N 0 3 278.399 3.382 20 30 CGEDHN CCN1CCN(Cc2ccc(Cl)cc2C#N)C(C)(C)C1 ZINC001232608624 818393414 /nfs/dbraw/zinc/39/34/14/818393414.db2.gz PYCMJIWFJDDEOK-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc3ncsc32)C1 ZINC001232732414 818425216 /nfs/dbraw/zinc/42/52/16/818425216.db2.gz HGPJQRGNONDUIJ-GFCCVEGCSA-N 0 3 271.389 3.422 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1ccccc1 ZINC001233947259 818737138 /nfs/dbraw/zinc/73/71/38/818737138.db2.gz JVNUJDPOIDEERD-FUHWJXTLSA-N 0 3 298.430 3.084 20 30 CGEDHN CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([O-])cc(C#N)c1)C2 ZINC001234143651 818789911 /nfs/dbraw/zinc/78/99/11/818789911.db2.gz GAYDAZHFTZBBIV-HALDLXJZSA-N 0 3 286.375 3.046 20 30 CGEDHN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([O-])cc(C#N)c1)C2 ZINC001234143651 818789915 /nfs/dbraw/zinc/78/99/15/818789915.db2.gz GAYDAZHFTZBBIV-HALDLXJZSA-N 0 3 286.375 3.046 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001234537297 818876817 /nfs/dbraw/zinc/87/68/17/818876817.db2.gz MLPABYSAQVLDIQ-FDMDGMSGSA-N 0 3 292.467 3.478 20 30 CGEDHN N#CCc1ccccc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001235510678 819112652 /nfs/dbraw/zinc/11/26/52/819112652.db2.gz CPNWLMJKMFQCDF-CQSZACIVSA-N 0 3 282.309 3.322 20 30 CGEDHN CCCCCN1CCN(Cc2ccccc2CC#N)CC1 ZINC001235522710 819114088 /nfs/dbraw/zinc/11/40/88/819114088.db2.gz IVICSYUNROAKGG-UHFFFAOYSA-N 0 3 285.435 3.060 20 30 CGEDHN COc1ccc(-c2cc(C#N)ccc2OC)cc1CN(C)C ZINC001236547560 819533040 /nfs/dbraw/zinc/53/30/40/819533040.db2.gz XZCUIAXRYGHBBT-UHFFFAOYSA-N 0 3 296.370 3.304 20 30 CGEDHN CCc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC001236795637 819597830 /nfs/dbraw/zinc/59/78/30/819597830.db2.gz XINWRHSWIJFCIT-CQSZACIVSA-N 0 3 258.365 3.080 20 30 CGEDHN CCc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC001236795637 819597835 /nfs/dbraw/zinc/59/78/35/819597835.db2.gz XINWRHSWIJFCIT-CQSZACIVSA-N 0 3 258.365 3.080 20 30 CGEDHN N#C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237126515 819673305 /nfs/dbraw/zinc/67/33/05/819673305.db2.gz MHIBFSWCWCBCQN-JTQLQIEISA-N 0 3 282.746 3.310 20 30 CGEDHN N#C[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237126515 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936819608 /nfs/dbraw/zinc/81/96/08/936819608.db2.gz RYGNDBWLOGPKQZ-SNVBAGLBSA-N 0 3 283.322 3.151 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001479962271 936948858 /nfs/dbraw/zinc/94/88/58/936948858.db2.gz SCZQBNQDXIZPDS-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC001349703427 936958925 /nfs/dbraw/zinc/95/89/25/936958925.db2.gz XJDYBXMIAPMOLY-DTZQCDIJSA-N 0 3 293.370 3.129 20 30 CGEDHN C[C@@H](CCC#N)CN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001352864846 937051742 /nfs/dbraw/zinc/05/17/42/937051742.db2.gz VKZCFRHVYMIZEW-LBPRGKRZSA-N 0 3 262.401 3.079 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H]1CCC[C@@H](F)C1 ZINC001352865348 937051827 /nfs/dbraw/zinc/05/18/27/937051827.db2.gz ZJCTWUIYVFICLB-NEPJUHHUSA-N 0 3 250.292 3.068 20 30 CGEDHN C=CCCC[C@@H](NC(=O)[C@@H](N)CC(F)F)c1ccccc1 ZINC001353146561 937058623 /nfs/dbraw/zinc/05/86/23/937058623.db2.gz PGYBOUSBOQIJTO-UONOGXRCSA-N 0 3 296.361 3.183 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001480954568 926835468 /nfs/dbraw/zinc/83/54/68/926835468.db2.gz DKWQSZHJRCXYOV-QGZVFWFLSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CCCC ZINC001481664368 927051453 /nfs/dbraw/zinc/05/14/53/927051453.db2.gz LEUQRTIUGXYYEU-JYJNAYRXSA-N 0 3 278.440 3.064 20 30 CGEDHN C[C@@H]1CC[C@H]1NCc1cc(C#N)ccc1Br ZINC001355302110 937135266 /nfs/dbraw/zinc/13/52/66/937135266.db2.gz OBESIGGNRMPMOV-NOZJJQNGSA-N 0 3 279.181 3.209 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H]2CNCCF)CCCCC1 ZINC001482068593 927141185 /nfs/dbraw/zinc/14/11/85/927141185.db2.gz SRSJBXKVBZQYAQ-OAHLLOKOSA-N 0 3 296.430 3.063 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1cccc(C2CCC2)c1 ZINC001482642345 927336106 /nfs/dbraw/zinc/33/61/06/927336106.db2.gz DRERGOBNZROKSK-UHFFFAOYSA-N 0 3 286.419 3.144 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001483263073 927466452 /nfs/dbraw/zinc/46/64/52/927466452.db2.gz CYVNPKXOICNUFC-SUMWQHHRSA-N 0 3 292.398 3.022 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC1CC1 ZINC001483811533 927628635 /nfs/dbraw/zinc/62/86/35/927628635.db2.gz QEDAEPGVYIJAKP-SJORKVTESA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC001358091875 937187650 /nfs/dbraw/zinc/18/76/50/937187650.db2.gz UVLDACJKJZXTOU-UHFFFAOYSA-N 0 3 260.381 3.351 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C(C)=C1CCC1 ZINC001484553439 927720053 /nfs/dbraw/zinc/72/00/53/927720053.db2.gz FAAWAIARLJVARL-UHFFFAOYSA-N 0 3 298.430 3.421 20 30 CGEDHN C=C1CCC(C(=O)N(CCN(C)C)c2ccccc2)CC1 ZINC001358131741 937188929 /nfs/dbraw/zinc/18/89/29/937188929.db2.gz CZGLUZHKLHOBBN-UHFFFAOYSA-N 0 3 286.419 3.328 20 30 CGEDHN C=CCCCN1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2C1 ZINC001484874134 927763786 /nfs/dbraw/zinc/76/37/86/927763786.db2.gz GFDGZCNSIMZYEZ-RDTXWAMCSA-N 0 3 298.430 3.241 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@H](C)C2(CCCCC2)C1 ZINC001473405822 937198554 /nfs/dbraw/zinc/19/85/54/937198554.db2.gz LSFXCEJYXYIEGO-LSDHHAIUSA-N 0 3 279.424 3.396 20 30 CGEDHN CO[C@H]1C[C@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001559846437 937210840 /nfs/dbraw/zinc/21/08/40/937210840.db2.gz VLDKUAPVROEORH-GJZGRUSLSA-N 0 3 277.795 3.095 20 30 CGEDHN C#CCCCCCC(=O)N[C@H]1CCN(CC=C(C)C)[C@@H]1C ZINC001489282344 928324986 /nfs/dbraw/zinc/32/49/86/928324986.db2.gz FSJZCPGEKVLHRU-SJORKVTESA-N 0 3 290.451 3.115 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)CC1CCCCC1 ZINC001493143203 928326349 /nfs/dbraw/zinc/32/63/49/928326349.db2.gz TUKSRSWXRMTILK-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN N#Cc1ccc([C@H](O)CNCc2ccccc2Cl)cc1 ZINC000037876714 928695673 /nfs/dbraw/zinc/69/56/73/928695673.db2.gz QKAQGROJSRMVEC-MRXNPFEDSA-N 0 3 286.762 3.035 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)c1ccccc1C ZINC001448869774 937376729 /nfs/dbraw/zinc/37/67/29/937376729.db2.gz BLMQHWSIEOPBPE-INIZCTEOSA-N 0 3 288.435 3.065 20 30 CGEDHN C=C(CC(C)C)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001449897757 937381662 /nfs/dbraw/zinc/38/16/62/937381662.db2.gz PZCFUARVIIRTTI-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN Cc1cc(NC[C@@H](c2cccs2)N(C)C)ncc1C#N ZINC001458053071 937449337 /nfs/dbraw/zinc/44/93/37/937449337.db2.gz AKUVJYBIJFKJEE-ZDUSSCGKSA-N 0 3 286.404 3.038 20 30 CGEDHN C=CCOCCN[C@H](c1ccc(F)cc1F)C1CC1 ZINC001459831746 937502255 /nfs/dbraw/zinc/50/22/55/937502255.db2.gz AEOUAROKTQQXRW-HNNXBMFYSA-N 0 3 267.319 3.208 20 30 CGEDHN C#C[C@H](NC[C@@H]1CCC[C@H](c2ccccc2)O1)[C@H]1CCCO1 ZINC001459988821 937510578 /nfs/dbraw/zinc/51/05/78/937510578.db2.gz KENPIODOJXWSJN-INDMIFKZSA-N 0 3 299.414 3.067 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC001460364898 937528629 /nfs/dbraw/zinc/52/86/29/937528629.db2.gz VDSPOSOTOQIVQT-ZIAGYGMSSA-N 0 3 267.413 3.395 20 30 CGEDHN N#Cc1cc(Nc2ccnc(C3CC3)c2)cc([N+](=O)[O-])c1 ZINC001211328498 932012531 /nfs/dbraw/zinc/01/25/31/932012531.db2.gz HCYJOCNZAJXJAB-UHFFFAOYSA-N 0 3 280.287 3.482 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658532 932605291 /nfs/dbraw/zinc/60/52/91/932605291.db2.gz BKLCSKLMTNZADO-HIFRSBDPSA-N 0 3 290.407 3.089 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230823428 932627844 /nfs/dbraw/zinc/62/78/44/932627844.db2.gz HFDZPBNTZKLSRM-GJZGRUSLSA-N 0 3 298.496 3.015 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001254643855 932725430 /nfs/dbraw/zinc/72/54/30/932725430.db2.gz NWGMEZGWYKKTIR-BPYAMOTFSA-N 0 3 262.303 3.234 20 30 CGEDHN C=CCN(CCOC)[C@H](C)c1nccc2ccccc21 ZINC001462192794 937623644 /nfs/dbraw/zinc/62/36/44/937623644.db2.gz SUCQXXANPMSRJH-CQSZACIVSA-N 0 3 270.376 3.430 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001491965331 932800233 /nfs/dbraw/zinc/80/02/33/932800233.db2.gz JWWOSIDQBSFQGD-SJORKVTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CC1CCCCC1 ZINC001491979134 932800291 /nfs/dbraw/zinc/80/02/91/932800291.db2.gz HVKLBTULKDQUFP-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCC[C@@H]1CCCN1Cc1cc(OC)ns1 ZINC001308137042 933055452 /nfs/dbraw/zinc/05/54/52/933055452.db2.gz NJFLSOIZJSDQNF-LLVKDONJSA-N 0 3 252.383 3.082 20 30 CGEDHN C=CC[C@H]1CCN1Cc1c[nH]c(=O)c2ccccc12 ZINC001308139270 933056851 /nfs/dbraw/zinc/05/68/51/933056851.db2.gz DXGKCISGOKIVOV-ZDUSSCGKSA-N 0 3 254.333 3.091 20 30 CGEDHN C=CCN(Cc1cc(C#N)ccc1N(C)C)C(C)C ZINC001308584485 933138359 /nfs/dbraw/zinc/13/83/59/933138359.db2.gz IYWRESCJVRQPBX-UHFFFAOYSA-N 0 3 257.381 3.021 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)c2ccoc2C)CC1 ZINC001317008452 933511897 /nfs/dbraw/zinc/51/18/97/933511897.db2.gz VNBPDADLTYNKOP-UHFFFAOYSA-N 0 3 290.407 3.091 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1CC(=C)C ZINC001317178329 933546410 /nfs/dbraw/zinc/54/64/10/933546410.db2.gz LNJNPUIGGTWQOT-DOTOQJQBSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCCC(C)C ZINC001317177916 933547773 /nfs/dbraw/zinc/54/77/73/933547773.db2.gz JWGGSWADDZJJKR-MRXNPFEDSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001317511233 933607670 /nfs/dbraw/zinc/60/76/70/933607670.db2.gz 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IFSOBVVKRNPXJF-HNNXBMFYSA-N 0 3 268.445 3.338 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001323358482 934389041 /nfs/dbraw/zinc/38/90/41/934389041.db2.gz UJXHCJINKVPDGO-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc(F)c3cccnc23)C1 ZINC001323785877 934426260 /nfs/dbraw/zinc/42/62/60/934426260.db2.gz ONSOKERPPFRKCT-CQSZACIVSA-N 0 3 286.350 3.151 20 30 CGEDHN C#CCN(C[C@@H](OC(C)C)c1ccccc1)CC1CC1 ZINC001324152815 934465922 /nfs/dbraw/zinc/46/59/22/934465922.db2.gz AOKNOPCQOHCJSZ-GOSISDBHSA-N 0 3 271.404 3.498 20 30 CGEDHN C#CCC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCCC1 ZINC001472038263 937772161 /nfs/dbraw/zinc/77/21/61/937772161.db2.gz JQSAPVRJSLWXDT-MRXNPFEDSA-N 0 3 290.451 3.093 20 30 CGEDHN COc1ccc(C[C@@H]2CCN2Cc2cccc(C#N)c2)cc1 ZINC001473220113 937798150 /nfs/dbraw/zinc/79/81/50/937798150.db2.gz ZWRKTKALLAPAKV-SFHVURJKSA-N 0 3 292.382 3.384 20 30 CGEDHN N#Cc1ccc(CN(C[C@H]2CC[C@@H](C3CC3)O2)C2CC2)cc1 ZINC001473304923 937801335 /nfs/dbraw/zinc/80/13/35/937801335.db2.gz TYHYNDMFDDCIMP-MOPGFXCFSA-N 0 3 296.414 3.480 20 30 CGEDHN CC#CCNC1(CNC(=O)C[C@H](C)CC(C)(C)C)CCC1 ZINC001326890824 935015235 /nfs/dbraw/zinc/01/52/35/935015235.db2.gz SLMQSWPOSGFTNC-HNNXBMFYSA-N 0 3 292.467 3.101 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001328079664 935115358 /nfs/dbraw/zinc/11/53/58/935115358.db2.gz DQPALIJJTJQSJJ-CQSZACIVSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CC[C@@H](C)c2ccsc21 ZINC001328091526 935116398 /nfs/dbraw/zinc/11/63/98/935116398.db2.gz OORPEBYGDQPDTF-NQBHXWOUSA-N 0 3 251.395 3.477 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001328343457 935130820 /nfs/dbraw/zinc/13/08/20/935130820.db2.gz FMCDYONKNOWZQY-GJZGRUSLSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001328343458 935130841 /nfs/dbraw/zinc/13/08/41/935130841.db2.gz FMCDYONKNOWZQY-LSDHHAIUSA-N 0 3 298.858 3.360 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccc(F)c(OC)c2)C1 ZINC001328695437 935160268 /nfs/dbraw/zinc/16/02/68/935160268.db2.gz AGJYCWLWLOYPEM-ZDUSSCGKSA-N 0 3 261.340 3.070 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)/C=C(\C)C1CC1 ZINC001329278929 935201630 /nfs/dbraw/zinc/20/16/30/935201630.db2.gz TUQCYHCZECVXAE-XYOKQWHBSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@](C)(C=C)CC ZINC001329937072 935255950 /nfs/dbraw/zinc/25/59/50/935255950.db2.gz KSDOFIQJJXBRNQ-DOTOQJQBSA-N 0 3 278.440 3.136 20 30 CGEDHN C#CCN(Cc1ccc(OC(F)F)c(OC)c1)CC1CC1 ZINC001335588733 936154936 /nfs/dbraw/zinc/15/49/36/936154936.db2.gz MINLHLKVWCTGEK-UHFFFAOYSA-N 0 3 295.329 3.142 20 30 CGEDHN C#C[C@H](NCC1CC(OC)C1)c1ccc(Cl)cc1 ZINC001474556317 937866731 /nfs/dbraw/zinc/86/67/31/937866731.db2.gz IQXUQGSTVPSMLY-KWCHVYNWSA-N 0 3 263.768 3.029 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](CC)C(C)C ZINC001479261267 937918126 /nfs/dbraw/zinc/91/81/26/937918126.db2.gz RAJPZKLTCDTHNW-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCN(CCCNC(=O)c1cccc(C(C)C)c1)C1CC1 ZINC001479879588 937927883 /nfs/dbraw/zinc/92/78/83/937927883.db2.gz ZJNAIZRETVZLST-UHFFFAOYSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C2CCCC2)CC1 ZINC001479989360 937930603 /nfs/dbraw/zinc/93/06/03/937930603.db2.gz CFJRDMAYTPAIDN-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN1CCCC[C@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001480333004 937936904 /nfs/dbraw/zinc/93/69/04/937936904.db2.gz VWAURDFFSBSVCD-ZWKOTPCHSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001494668579 937955664 /nfs/dbraw/zinc/95/56/64/937955664.db2.gz QQVSTWWBHPLBPB-PMPSAXMXSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001495336722 937958741 /nfs/dbraw/zinc/95/87/41/937958741.db2.gz CGQVVKCJBVLKNE-TZMCWYRMSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCCC(=O)N[C@@]1(CNCC(=C)Cl)CCCC[C@H]1C ZINC001495308032 937958788 /nfs/dbraw/zinc/95/87/88/937958788.db2.gz NXEDKAUZNKQNKU-CZUORRHYSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001499030267 937971917 /nfs/dbraw/zinc/97/19/17/937971917.db2.gz MJXYALUJRIKPKU-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(C)=C2CCC2)cc1 ZINC001501676948 937980299 /nfs/dbraw/zinc/98/02/99/937980299.db2.gz QHDKPAGDEJIGRG-OAHLLOKOSA-N 0 3 296.414 3.087 20 30 CGEDHN CC#CCNC1(CNC(=O)c2cccc(C(C)C)c2)CCC1 ZINC001502014602 937981051 /nfs/dbraw/zinc/98/10/51/937981051.db2.gz DKCGOBMEJKAYQP-UHFFFAOYSA-N 0 3 298.430 3.075 20 30 CGEDHN CC#CCN1CC[C@@H](NC(=O)C(CCC)CCC)C[C@H]1C ZINC001502969958 937983905 /nfs/dbraw/zinc/98/39/05/937983905.db2.gz QFXFQCVGWAUESR-NVXWUHKLSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(C)cc1C ZINC001503600984 937984623 /nfs/dbraw/zinc/98/46/23/937984623.db2.gz DEIJVINLAIASON-AWEZNQCLSA-N 0 3 294.826 3.154 20 30 CGEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCCCC(C)C ZINC001506575044 937990868 /nfs/dbraw/zinc/99/08/68/937990868.db2.gz JMWBNWVWNIJBPM-KRWDZBQOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccc2cc[nH]c2c1)C(C)C ZINC001507840523 937997125 /nfs/dbraw/zinc/99/71/25/937997125.db2.gz JJLUADHZGRLGLV-UHFFFAOYSA-N 0 3 299.418 3.136 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001520028486 938022712 /nfs/dbraw/zinc/02/27/12/938022712.db2.gz FOAVSCKOWNFZPE-ZJUUUORDSA-N 0 3 279.771 3.076 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC001521319582 938031268 /nfs/dbraw/zinc/03/12/68/938031268.db2.gz LQSYECMYQZKJEC-SNVBAGLBSA-N 0 3 281.425 3.063 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-c2ocnc2C)cc1 ZINC001522788984 938037841 /nfs/dbraw/zinc/03/78/41/938037841.db2.gz AUNHVDQLTVRNMK-HNNXBMFYSA-N 0 3 299.374 3.272 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCCCC(C)(C)C ZINC001524268570 938043345 /nfs/dbraw/zinc/04/33/45/938043345.db2.gz WUVOGXPHAQUDJD-GFCCVEGCSA-N 0 3 261.369 3.203 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)c1ccccc1 ZINC001535839563 938102924 /nfs/dbraw/zinc/10/29/24/938102924.db2.gz USHSRDXBVMDAHO-UHFFFAOYSA-N 0 3 274.408 3.184 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CCC)C1 ZINC001557407876 938209887 /nfs/dbraw/zinc/20/98/87/938209887.db2.gz UHGSXIIKHXVGQZ-CVEARBPZSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC[C@@H](C)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC001559538162 938228721 /nfs/dbraw/zinc/22/87/21/938228721.db2.gz QNYGVCDFONKDCA-ZBFHGGJFSA-N 0 3 272.392 3.078 20 30 CGEDHN CCC#C[C@@H](C)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001559638672 938231492 /nfs/dbraw/zinc/23/14/92/938231492.db2.gz JMXRDJJFCDJFCG-CQSZACIVSA-N 0 3 279.387 3.454 20 30 CGEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC001559983708 938240930 /nfs/dbraw/zinc/24/09/30/938240930.db2.gz ZHUZAAUUARZFBZ-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(CNCc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC001560315008 938252520 /nfs/dbraw/zinc/25/25/20/938252520.db2.gz QKWDIVIDZPETLI-UHFFFAOYSA-N 0 3 294.398 3.191 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(F)c1N ZINC001560460047 938259295 /nfs/dbraw/zinc/25/92/95/938259295.db2.gz RGMATHZCSDQQCD-INIZCTEOSA-N 0 3 281.334 3.057 20 30 CGEDHN C[C@@H]1CC[C@H](NCC(C)(C)C#N)CN1Cc1ccccc1 ZINC001560741250 938273256 /nfs/dbraw/zinc/27/32/56/938273256.db2.gz QBBZHYAFKYQLNK-WBVHZDCISA-N 0 3 285.435 3.179 20 30 CGEDHN C=CCSCCNCc1nc2ccc(Cl)cc2n1C ZINC001560744091 938273678 /nfs/dbraw/zinc/27/36/78/938273678.db2.gz FXOAWBJDWQOTQN-UHFFFAOYSA-N 0 3 295.839 3.236 20 30 CGEDHN C#C[C@H]1CCCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC001560906478 938283139 /nfs/dbraw/zinc/28/31/39/938283139.db2.gz KYYLIAREENTFCT-BPJJOFIESA-N 0 3 261.315 3.323 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC001568697907 960453874 /nfs/dbraw/zinc/45/38/74/960453874.db2.gz UMDXHOGWFOTAKZ-STQMWFEESA-N 0 3 286.847 3.050 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@H](C2CC2)C1 ZINC001577426219 960478152 /nfs/dbraw/zinc/47/81/52/960478152.db2.gz JAGOMYVQWOPDDI-JKSUJKDBSA-N 0 3 280.456 3.323 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2CCCC(C)C)C1 ZINC001565827095 960579557 /nfs/dbraw/zinc/57/95/57/960579557.db2.gz YFGGOANZVDDJDA-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)C(C)(CC)CC)CC(C)(C)C1 ZINC001566132037 960897023 /nfs/dbraw/zinc/89/70/23/960897023.db2.gz UYTZOTFJOISBSB-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001566524645 960956669 /nfs/dbraw/zinc/95/66/69/960956669.db2.gz OHBRXNCFWIWBFB-GXTWGEPZSA-N 0 3 296.798 3.005 20 30 CGEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)C ZINC001566749066 961006045 /nfs/dbraw/zinc/00/60/45/961006045.db2.gz ZZRDTQRZSRJWCO-IYBDPMFKSA-N 0 3 280.456 3.288 20 30 CGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC1 ZINC001566746401 961010007 /nfs/dbraw/zinc/01/00/07/961010007.db2.gz HJFKENIRPCZBEO-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1occc1C(C)C ZINC001567226452 961149157 /nfs/dbraw/zinc/14/91/57/961149157.db2.gz LMSGNAQNBNQPIH-LBPRGKRZSA-N 0 3 298.814 3.254 20 30 CGEDHN C=CCCC(=O)NCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC001567274027 961265186 /nfs/dbraw/zinc/26/51/86/961265186.db2.gz RGCONOBTKHPADC-CYBMUJFWSA-N 0 3 294.826 3.415 20 30 CGEDHN C=CCCC(=O)N(CCC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001567681309 961390372 /nfs/dbraw/zinc/39/03/72/961390372.db2.gz OYCYBBGUHHAPDC-MRXNPFEDSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCCC#CC)C1 ZINC001567686506 961399316 /nfs/dbraw/zinc/39/93/16/961399316.db2.gz NIOBCFLAIYHBNB-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001567860988 961446869 /nfs/dbraw/zinc/44/68/69/961446869.db2.gz FFIWRSJTXRWCBK-PMPSAXMXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H](CC)C(C)C)C1 ZINC001567925847 961465953 /nfs/dbraw/zinc/46/59/53/961465953.db2.gz UXVRDANYCHOWCS-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCC=C(Cl)Cl ZINC001567961455 961471712 /nfs/dbraw/zinc/47/17/12/961471712.db2.gz HKZKPJBOGBHIOT-LLVKDONJSA-N 0 3 293.238 3.146 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1C[C@H]1CCC)C1CC1 ZINC001568028190 961492761 /nfs/dbraw/zinc/49/27/61/961492761.db2.gz QWSRAIJNMILYFO-XPKDYRNWSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)CC/C=C\c1ccccc1 ZINC001569137635 961700304 /nfs/dbraw/zinc/70/03/04/961700304.db2.gz GDUIANYPHYUEMD-LJEUOOAZSA-N 0 3 286.419 3.103 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001569355429 961736513 /nfs/dbraw/zinc/73/65/13/961736513.db2.gz JTUXDPOEJKOLJP-KBPBESRZSA-N 0 3 292.448 3.215 20 30 CGEDHN CC#CCNC1(CNC(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC001569420142 961763848 /nfs/dbraw/zinc/76/38/48/961763848.db2.gz WPPNDODBPWYHOX-INIZCTEOSA-N 0 3 290.451 3.021 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569913586 961878899 /nfs/dbraw/zinc/87/88/99/961878899.db2.gz TXCDJGPANHQCKE-CABCVRRESA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1C=CCC1 ZINC001570025722 961883579 /nfs/dbraw/zinc/88/35/79/961883579.db2.gz MXEMXKKQZDHXTK-MRXNPFEDSA-N 0 3 298.430 3.277 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCCC)cc1 ZINC001570029904 961884968 /nfs/dbraw/zinc/88/49/68/961884968.db2.gz KLCAANMLNOWXMV-OAHLLOKOSA-N 0 3 286.419 3.167 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C=C(CC)CC)[C@@H]1C ZINC001571517246 962167592 /nfs/dbraw/zinc/16/75/92/962167592.db2.gz PTEKPPOJKZETHV-HOCLYGCPSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CCC[C@@H](CCC)[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001573334139 962245079 /nfs/dbraw/zinc/24/50/79/962245079.db2.gz KIDGHDVFNIAFBZ-MRXNPFEDSA-N 0 3 299.422 3.134 20 30 CGEDHN C=CCC[C@@H](CCC)[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001573334139 962245123 /nfs/dbraw/zinc/24/51/23/962245123.db2.gz KIDGHDVFNIAFBZ-MRXNPFEDSA-N 0 3 299.422 3.134 20 30 CGEDHN CC(C)CN(C(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC001575586384 962400784 /nfs/dbraw/zinc/40/07/84/962400784.db2.gz ISDKFOWQXWNVPJ-INIZCTEOSA-N 0 3 287.407 3.087 20 30 CGEDHN CC(C)C[C@H](C[NH3+])CC(=O)N([O-])Cc1ccccc1Cl ZINC001575634554 962403554 /nfs/dbraw/zinc/40/35/54/962403554.db2.gz YOGBNBGEEYFTAS-LBPRGKRZSA-N 0 3 298.814 3.069 20 30 CGEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1C1CC1 ZINC001579625952 962645523 /nfs/dbraw/zinc/64/55/23/962645523.db2.gz FJMGZFHGKMNDOD-INIZCTEOSA-N 0 3 285.391 3.222 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC000127804004 187333299 /nfs/dbraw/zinc/33/32/99/187333299.db2.gz CGFZIYJEMMAOFJ-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN COCc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000124992934 187164708 /nfs/dbraw/zinc/16/47/08/187164708.db2.gz OPRWAFQFCXXWMF-UHFFFAOYSA-N 0 3 296.370 3.003 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2nnc3ccccn32)C1 ZINC000651669963 398266047 /nfs/dbraw/zinc/26/60/47/398266047.db2.gz PRQALDGMQGKKGA-BFHYXJOUSA-N 0 3 270.380 3.125 20 30 CGEDHN CC(C)n1cc(C2=CCCN([C@@H]3CC[C@H](C#N)C3)CC2)nn1 ZINC000590659208 346861063 /nfs/dbraw/zinc/86/10/63/346861063.db2.gz YHZZZIQENIGTAN-GOEBONIOSA-N 0 3 299.422 3.030 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cccnc2OCC)C1 ZINC000651750343 398281841 /nfs/dbraw/zinc/28/18/41/398281841.db2.gz DRSVLLSRLJPSDV-DZGCQCFKSA-N 0 3 260.381 3.315 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1)C(C)C ZINC000096982314 185146034 /nfs/dbraw/zinc/14/60/34/185146034.db2.gz NWDLZLLAGOWLAO-SFHVURJKSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2ncnn2-c2ccccc2)C1 ZINC000651787701 398288773 /nfs/dbraw/zinc/28/87/73/398288773.db2.gz CCYMAZBRVNJOIC-GJZGRUSLSA-N 0 3 282.391 3.102 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2csc(COC)n2)C1 ZINC000651813934 398291156 /nfs/dbraw/zinc/29/11/56/398291156.db2.gz DDJCKEGLGPCMCZ-NEPJUHHUSA-N 0 3 266.410 3.124 20 30 CGEDHN CC(C)=CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000350744185 219055834 /nfs/dbraw/zinc/05/58/34/219055834.db2.gz JJWQJBPKBCXULN-UHFFFAOYSA-N 0 3 270.376 3.368 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000651892338 398301695 /nfs/dbraw/zinc/30/16/95/398301695.db2.gz QLJVDWDGZBEYLB-JFILPPLUSA-N 0 3 265.372 3.438 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](C3CCC3)C2)ccc1F ZINC000591061905 346897451 /nfs/dbraw/zinc/89/74/51/346897451.db2.gz NINUMTFZEBGIIP-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000591243344 346911684 /nfs/dbraw/zinc/91/16/84/346911684.db2.gz VSLWBGIIZLYDAT-INIZCTEOSA-N 0 3 267.376 3.465 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCc2cccc(Cl)c2C1 ZINC000591260738 346913014 /nfs/dbraw/zinc/91/30/14/346913014.db2.gz TVXWXGKZLMVLQF-OLZOCXBDSA-N 0 3 262.784 3.479 20 30 CGEDHN N#Cc1ccncc1NC1CCN(Cc2ccccc2)CC1 ZINC000269952902 190574884 /nfs/dbraw/zinc/57/48/84/190574884.db2.gz JSAMGJAEYMPSIH-UHFFFAOYSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623237153 349770295 /nfs/dbraw/zinc/77/02/95/349770295.db2.gz RVUWIDOJKJDFGP-RHSMWYFYSA-N 0 3 286.419 3.424 20 30 CGEDHN CCc1cnccc1[C@H](C)NCc1ccc(C#N)cc1 ZINC000358501545 529681412 /nfs/dbraw/zinc/68/14/12/529681412.db2.gz AHOOGACHOLGLJH-ZDUSSCGKSA-N 0 3 265.360 3.366 20 30 CGEDHN C=CC(C)(C)CCNCc1cc2c(cc1OC)OCO2 ZINC000623593074 349843483 /nfs/dbraw/zinc/84/34/83/349843483.db2.gz SCWKCMKUWIGAEC-UHFFFAOYSA-N 0 3 277.364 3.116 20 30 CGEDHN C=CC(C)(C)CCNCc1nccn1CC(F)(F)F ZINC000623592907 349843648 /nfs/dbraw/zinc/84/36/48/349843648.db2.gz ILHCYEURRRJFPE-UHFFFAOYSA-N 0 3 275.318 3.137 20 30 CGEDHN C=CCCn1cc(CN[C@H](CC)CCc2ccccc2)nn1 ZINC000623623881 349851038 /nfs/dbraw/zinc/85/10/38/349851038.db2.gz JPYJZZXNIJIYTD-QGZVFWFLSA-N 0 3 298.434 3.355 20 30 CGEDHN CC(C)[C@@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000592103792 346963441 /nfs/dbraw/zinc/96/34/41/346963441.db2.gz LDWUNTBUZIMKID-JKSUJKDBSA-N 0 3 257.381 3.258 20 30 CGEDHN N#CC[C@@]1(O)CCN(Cc2ccc(C3CCCC3)cc2)C1 ZINC000592155131 346968041 /nfs/dbraw/zinc/96/80/41/346968041.db2.gz YJCDVEZFABZGDS-GOSISDBHSA-N 0 3 284.403 3.195 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000592374820 346980248 /nfs/dbraw/zinc/98/02/48/346980248.db2.gz LLNFEJKOGUMMTB-OKILXGFUSA-N 0 3 276.355 3.133 20 30 CGEDHN Cc1cccc(C)c1CN(CC(C)C)C(=O)C(C)C#N ZINC000592824515 347017983 /nfs/dbraw/zinc/01/79/83/347017983.db2.gz OHSNKBSNWOUVQM-OAHLLOKOSA-N 0 3 272.392 3.448 20 30 CGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)CC1CC1 ZINC000356063032 529984043 /nfs/dbraw/zinc/98/40/43/529984043.db2.gz LPDWIZNKGBZVAA-UHFFFAOYSA-N 0 3 268.282 3.419 20 30 CGEDHN Cc1cc(C)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574194 344972002 /nfs/dbraw/zinc/97/20/02/344972002.db2.gz GGGWTZKYLSRKJO-OAHLLOKOSA-N 0 3 279.343 3.200 20 30 CGEDHN CCn1c(C)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000049406100 345074020 /nfs/dbraw/zinc/07/40/20/345074020.db2.gz WPLDMVULVGKZSC-HNNXBMFYSA-N 0 3 296.374 3.022 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H]2CCCO2)cc1Cl ZINC000066969953 345310499 /nfs/dbraw/zinc/31/04/99/345310499.db2.gz JBQAYMJLBUWPIG-ZDUSSCGKSA-N 0 3 281.783 3.173 20 30 CGEDHN N#CCCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976518 345400154 /nfs/dbraw/zinc/40/01/54/345400154.db2.gz FAPNZMONRCLZAG-INIZCTEOSA-N 0 3 288.391 3.067 20 30 CGEDHN N#CCCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976518 345400155 /nfs/dbraw/zinc/40/01/55/345400155.db2.gz FAPNZMONRCLZAG-INIZCTEOSA-N 0 3 288.391 3.067 20 30 CGEDHN Cc1cc(F)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000076822217 345552028 /nfs/dbraw/zinc/55/20/28/345552028.db2.gz YKJKXSQIQBSYPE-AWEZNQCLSA-N 0 3 283.306 3.031 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084135067 345729816 /nfs/dbraw/zinc/72/98/16/345729816.db2.gz KVINKYXHKQWWRB-MRXNPFEDSA-N 0 3 271.360 3.391 20 30 CGEDHN CC(C)[C@H](CNc1snc(Cl)c1C#N)N1CCCC1 ZINC000092585049 345846571 /nfs/dbraw/zinc/84/65/71/345846571.db2.gz MTFAJBMDPHZCCT-NSHDSACASA-N 0 3 298.843 3.200 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NC2CCCCCC2)CC1 ZINC000106275994 345930722 /nfs/dbraw/zinc/93/07/22/345930722.db2.gz NYMUHZDQWLSWGQ-UHFFFAOYSA-N 0 3 293.455 3.049 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NCCCC(C)(C)C)CC1 ZINC000154187572 346148333 /nfs/dbraw/zinc/14/83/33/346148333.db2.gz QQDOGMFCJNHEKJ-UHFFFAOYSA-N 0 3 295.471 3.152 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC000188303574 346262126 /nfs/dbraw/zinc/26/21/26/346262126.db2.gz WSTDKMSAXFVFSM-PBHICJAKSA-N 0 3 275.392 3.108 20 30 CGEDHN C=CC(C)(C)CC[NH2+][C@H](c1cccs1)c1nnc[n-]1 ZINC000624037001 349951919 /nfs/dbraw/zinc/95/19/19/349951919.db2.gz IFPBIPOSPCMAPG-GFCCVEGCSA-N 0 3 276.409 3.148 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(SC)cc1 ZINC000293983412 346431997 /nfs/dbraw/zinc/43/19/97/346431997.db2.gz DYYRVNNVNNRSSZ-LBPRGKRZSA-N 0 3 251.395 3.262 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)NC1CC1 ZINC000294927514 346433340 /nfs/dbraw/zinc/43/33/40/346433340.db2.gz AZPUXUWIQGBGCH-SNVBAGLBSA-N 0 3 298.839 3.057 20 30 CGEDHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 ZINC000310897360 346472270 /nfs/dbraw/zinc/47/22/70/346472270.db2.gz AMNCQLGNXYADRV-MFKMUULPSA-N 0 3 250.292 3.397 20 30 CGEDHN N#CC1(CNC[C@@H]2CCOc3ccccc32)CCCC1 ZINC000593652574 347099549 /nfs/dbraw/zinc/09/95/49/347099549.db2.gz CHRDUUKZQGSRFW-AWEZNQCLSA-N 0 3 270.376 3.226 20 30 CGEDHN COC1(C[C@@H](C)NCC2(C#N)CCCC2)CCC1 ZINC000593654585 347101057 /nfs/dbraw/zinc/10/10/57/347101057.db2.gz JHVDECXMVQJJGY-CYBMUJFWSA-N 0 3 250.386 3.008 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CC3(F)F)CC2)cc1 ZINC000404882794 346601886 /nfs/dbraw/zinc/60/18/86/346601886.db2.gz GWEXWDJPIAEBHK-UHFFFAOYSA-N 0 3 262.303 3.179 20 30 CGEDHN N#CC1(CN[C@@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000405090117 346602596 /nfs/dbraw/zinc/60/25/96/346602596.db2.gz PRJRQUYBMXPWTI-GOSISDBHSA-N 0 3 297.446 3.325 20 30 CGEDHN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)C(C)C#N ZINC000504700574 346634605 /nfs/dbraw/zinc/63/46/05/346634605.db2.gz NXLPSMAPJPGLRP-UONOGXRCSA-N 0 3 290.432 3.450 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCCCC2 ZINC000585816724 346731102 /nfs/dbraw/zinc/73/11/02/346731102.db2.gz IYLJYXYXSMIZQH-DLBZAZTESA-N 0 3 299.418 3.171 20 30 CGEDHN C[C@H](COCC1CC1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000593719776 347107712 /nfs/dbraw/zinc/10/77/12/347107712.db2.gz RHIPWPNACFAWDK-ACJLOTCBSA-N 0 3 284.403 3.340 20 30 CGEDHN N#CCCCN1CCC(c2ccc3cccnc3n2)CC1 ZINC000594020512 347138300 /nfs/dbraw/zinc/13/83/00/347138300.db2.gz ZRQWUNOPVDJGKK-UHFFFAOYSA-N 0 3 280.375 3.113 20 30 CGEDHN CCC(C)(C)N1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000594021581 347138560 /nfs/dbraw/zinc/13/85/60/347138560.db2.gz WAMWABDNFMKWSY-UHFFFAOYSA-N 0 3 289.398 3.004 20 30 CGEDHN Cc1ccncc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033516 347141239 /nfs/dbraw/zinc/14/12/39/347141239.db2.gz QVHYLEGYJDMAPA-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN N#CCCCCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000593982790 347129695 /nfs/dbraw/zinc/12/96/95/347129695.db2.gz QKVZKPJTHOJSFE-UHFFFAOYSA-N 0 3 299.418 3.199 20 30 CGEDHN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccc(C#N)cn2)C1 ZINC000593983702 347129779 /nfs/dbraw/zinc/12/97/79/347129779.db2.gz IYQVUFLIJJKKGP-SFHVURJKSA-N 0 3 295.361 3.256 20 30 CGEDHN CC(C)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594424619 347173803 /nfs/dbraw/zinc/17/38/03/347173803.db2.gz BYIUDKFZTMIKPU-OAHLLOKOSA-N 0 3 273.380 3.160 20 30 CGEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1cccc(C)c1C ZINC000594428671 347173900 /nfs/dbraw/zinc/17/39/00/347173900.db2.gz NXAGJOQEHOPNMJ-HNNXBMFYSA-N 0 3 287.407 3.068 20 30 CGEDHN C[C@H]1CC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)O1 ZINC000594508837 347182349 /nfs/dbraw/zinc/18/23/49/347182349.db2.gz WYPSCYYJKFYUTB-BBRMVZONSA-N 0 3 272.392 3.145 20 30 CGEDHN CC[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1 ZINC000594516565 347186794 /nfs/dbraw/zinc/18/67/94/347186794.db2.gz SFOLQSSQCMPZOI-QYZOEREBSA-N 0 3 292.382 3.257 20 30 CGEDHN CCSC1(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000594991920 347250877 /nfs/dbraw/zinc/25/08/77/347250877.db2.gz NMQALXXKQPBAHZ-UHFFFAOYSA-N 0 3 264.369 3.073 20 30 CGEDHN C=CCCSCCNCc1cn2cc(C)ccc2n1 ZINC000594960121 347241290 /nfs/dbraw/zinc/24/12/90/347241290.db2.gz KHAIIQPDVOJWLK-UHFFFAOYSA-N 0 3 275.421 3.042 20 30 CGEDHN CSCC1(CCNCc2ccc(C#N)cc2F)CC1 ZINC000594962610 347243112 /nfs/dbraw/zinc/24/31/12/347243112.db2.gz IUPHGQVTXHMULL-UHFFFAOYSA-N 0 3 278.396 3.320 20 30 CGEDHN CC1(C)C[C@H](NCc2cccc(OCCCC#N)c2)CO1 ZINC000594962878 347243208 /nfs/dbraw/zinc/24/32/08/347243208.db2.gz MRVOLCJWPSGSHO-HNNXBMFYSA-N 0 3 288.391 3.026 20 30 CGEDHN CN(C)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000594966933 347244740 /nfs/dbraw/zinc/24/47/40/347244740.db2.gz DUPKUIDLXAMUKY-UHFFFAOYSA-N 0 3 294.402 3.044 20 30 CGEDHN C[C@H](O)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000595101281 347284415 /nfs/dbraw/zinc/28/44/15/347284415.db2.gz CSVMZLXUPBCESB-FASAQXTFSA-N 0 3 292.382 3.257 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000595251851 347285762 /nfs/dbraw/zinc/28/57/62/347285762.db2.gz YDNFKWLUGBYZDF-HUUCEWRRSA-N 0 3 291.439 3.017 20 30 CGEDHN N#Cc1cccc(C2(NCCOCc3ccccc3)CC2)c1 ZINC000595417430 347300002 /nfs/dbraw/zinc/30/00/02/347300002.db2.gz KXIZNNDQOQWMPI-UHFFFAOYSA-N 0 3 292.382 3.354 20 30 CGEDHN COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000595071420 347276521 /nfs/dbraw/zinc/27/65/21/347276521.db2.gz YZUMKZHFPUALHZ-KMFMINBZSA-N 0 3 288.391 3.055 20 30 CGEDHN CCCC[C@H](COC)NCC1(C#N)CCCCC1 ZINC000595091240 347280525 /nfs/dbraw/zinc/28/05/25/347280525.db2.gz OLPGHCZMKRESDO-CQSZACIVSA-N 0 3 252.402 3.255 20 30 CGEDHN N#CC[C@H]1CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000595613375 347327176 /nfs/dbraw/zinc/32/71/76/347327176.db2.gz CEEKRHSHGFMSKH-WBMJQRKESA-N 0 3 258.340 3.439 20 30 CGEDHN N#CC[C@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC000595620222 347328538 /nfs/dbraw/zinc/32/85/38/347328538.db2.gz KNICGLUTHHBOEH-OAHLLOKOSA-N 0 3 260.356 3.384 20 30 CGEDHN COCC[C@H](c1ccccc1)N1CCC[C@H](CC#N)C1 ZINC000595621509 347328705 /nfs/dbraw/zinc/32/87/05/347328705.db2.gz VTHIXWZUICFJOR-NVXWUHKLSA-N 0 3 272.392 3.390 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000595660972 347335679 /nfs/dbraw/zinc/33/56/79/347335679.db2.gz UVAFAXJDUJJJRK-QWHCGFSZSA-N 0 3 277.364 3.415 20 30 CGEDHN Cc1cc(CN2CCC[C@H](CCF)C2)ccc1C#N ZINC000595755505 347350915 /nfs/dbraw/zinc/35/09/15/347350915.db2.gz NBBPKJAHTFFXKG-CQSZACIVSA-N 0 3 260.356 3.438 20 30 CGEDHN N#Cc1cccc(C2(N[C@@H]3C=CCCC3)CCOCC2)c1 ZINC000595765690 347353486 /nfs/dbraw/zinc/35/34/86/347353486.db2.gz UKVQLLNIDLMGFK-QGZVFWFLSA-N 0 3 282.387 3.262 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCC2(C#N)CCC2)C12CCC2 ZINC000595777607 347354106 /nfs/dbraw/zinc/35/41/06/347354106.db2.gz IAXSXXHMOPYQEA-KBPBESRZSA-N 0 3 276.424 3.396 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595786817 347356046 /nfs/dbraw/zinc/35/60/46/347356046.db2.gz HSVPTKWJGRPUGI-MSOLQXFVSA-N 0 3 284.403 3.339 20 30 CGEDHN CN(CCCN(C)[C@H](C#N)c1ccccc1)Cc1ccco1 ZINC000595483784 347309787 /nfs/dbraw/zinc/30/97/87/347309787.db2.gz MCUYHMHUEKMFAG-GOSISDBHSA-N 0 3 297.402 3.298 20 30 CGEDHN Cc1ccc2c(c1)CN(CCc1ccc(C#N)cc1)CCO2 ZINC000595483362 347310083 /nfs/dbraw/zinc/31/00/83/347310083.db2.gz LSLOKHVTSZWLOK-UHFFFAOYSA-N 0 3 292.382 3.304 20 30 CGEDHN Cc1cc(CN2CCC(c3ccon3)CC2)ccc1C#N ZINC000595828232 347362049 /nfs/dbraw/zinc/36/20/49/347362049.db2.gz JTFCHGCGOKXLRT-UHFFFAOYSA-N 0 3 281.359 3.234 20 30 CGEDHN CC1(C)C[C@@]1(CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000596050740 347377523 /nfs/dbraw/zinc/37/75/23/347377523.db2.gz OGTSOCJVJRCDKS-CRAIPNDOSA-N 0 3 281.403 3.387 20 30 CGEDHN CCCN1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000596518901 347473426 /nfs/dbraw/zinc/47/34/26/347473426.db2.gz ZCVWMTKPAGSEFG-AWEZNQCLSA-N 0 3 286.423 3.147 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc3cnccc3c2)C1 ZINC000597175520 347544367 /nfs/dbraw/zinc/54/43/67/347544367.db2.gz BJPZPQVATHBXCM-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN COCC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597003003 347526550 /nfs/dbraw/zinc/52/65/50/347526550.db2.gz KUDHDCIIOWLVNR-UHFFFAOYSA-N 0 3 284.403 3.100 20 30 CGEDHN C[C@H](Cc1ccc2c(c1)CCCC2)NC[C@H](C)C#N ZINC000597081775 347533593 /nfs/dbraw/zinc/53/35/93/347533593.db2.gz DFZYEPVATBASOS-ZIAGYGMSSA-N 0 3 256.393 3.246 20 30 CGEDHN COCc1csc(CN2CCC(CC#N)CC2)c1 ZINC000597081432 347534136 /nfs/dbraw/zinc/53/41/36/347534136.db2.gz HOGJMAOBBOJXET-UHFFFAOYSA-N 0 3 264.394 3.020 20 30 CGEDHN CC1(C#N)CCC(N[C@H](CO)c2ccc(F)cc2F)CC1 ZINC000597235689 347560875 /nfs/dbraw/zinc/56/08/75/347560875.db2.gz JPAUPPXBRCXHNX-DSSZZKGTSA-N 0 3 294.345 3.060 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCSc2ccccc21 ZINC000598700741 347679925 /nfs/dbraw/zinc/67/99/25/347679925.db2.gz PTLXUQHMBUGQNL-GXTWGEPZSA-N 0 3 290.432 3.114 20 30 CGEDHN CSc1cc(C)ccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598722879 347682881 /nfs/dbraw/zinc/68/28/81/347682881.db2.gz DNARMFDRMUYKNQ-AWEZNQCLSA-N 0 3 292.448 3.107 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN(Cc1cccs1)C1CC1 ZINC000598587199 347666620 /nfs/dbraw/zinc/66/66/20/347666620.db2.gz OZPKAYRICXNZLU-ZDUSSCGKSA-N 0 3 278.421 3.013 20 30 CGEDHN C[C@H](c1cccs1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598586424 347667056 /nfs/dbraw/zinc/66/70/56/347667056.db2.gz UPXGEFMIPUWWMH-NEPJUHHUSA-N 0 3 266.410 3.042 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2ccsc2)CC1 ZINC000598602787 347670487 /nfs/dbraw/zinc/67/04/87/347670487.db2.gz BQQTXMFDNCPFAI-OAHLLOKOSA-N 0 3 292.448 3.228 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000598603487 347670515 /nfs/dbraw/zinc/67/05/15/347670515.db2.gz UNSFJTHVIPQAPC-LBPRGKRZSA-N 0 3 296.361 3.090 20 30 CGEDHN C/C=C\C[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000599691183 347766753 /nfs/dbraw/zinc/76/67/53/347766753.db2.gz QXNLLTKTPLHESV-SFAKSCPVSA-N 0 3 255.365 3.131 20 30 CGEDHN Cc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1C#N ZINC000599361434 347739622 /nfs/dbraw/zinc/73/96/22/347739622.db2.gz GPZCSGLFZKCBFI-QGZVFWFLSA-N 0 3 284.403 3.115 20 30 CGEDHN Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000599402955 347742208 /nfs/dbraw/zinc/74/22/08/347742208.db2.gz IEVOZSMSSURXPO-IRXDYDNUSA-N 0 3 270.376 3.010 20 30 CGEDHN COC[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599435421 347744467 /nfs/dbraw/zinc/74/44/67/347744467.db2.gz UVYVGYVOVRCHNY-OAHLLOKOSA-N 0 3 272.392 3.115 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599513724 347749041 /nfs/dbraw/zinc/74/90/41/347749041.db2.gz SYRJIVXYRKULAI-TXEJJXNPSA-N 0 3 264.319 3.281 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H](C)C1(F)F ZINC000599515052 347749920 /nfs/dbraw/zinc/74/99/20/347749920.db2.gz PBBJFHIUJKDBBG-CHWSQXEVSA-N 0 3 278.346 3.476 20 30 CGEDHN N#CCCOCCN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515552 347749975 /nfs/dbraw/zinc/74/99/75/347749975.db2.gz FJQTXJIPLAFQDJ-AWEZNQCLSA-N 0 3 294.345 3.074 20 30 CGEDHN CC(C)(C#N)CNCCc1cccc(C(F)(F)F)c1 ZINC000600144781 347784807 /nfs/dbraw/zinc/78/48/07/347784807.db2.gz OANUQBVVPOLHTE-UHFFFAOYSA-N 0 3 270.298 3.387 20 30 CGEDHN C[C@H](NCC1(C#N)CCCCC1)C1CC(F)(F)C1 ZINC000600174638 347789009 /nfs/dbraw/zinc/78/90/09/347789009.db2.gz LUDSIFITPAAZBY-NSHDSACASA-N 0 3 256.340 3.484 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)cc1F ZINC000601156348 347876043 /nfs/dbraw/zinc/87/60/43/347876043.db2.gz PPLQFILIBHTDQQ-IRXDYDNUSA-N 0 3 288.366 3.135 20 30 CGEDHN N#C[C@H]1CC[C@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000601287553 347888908 /nfs/dbraw/zinc/88/89/08/347888908.db2.gz JYOGNNHNXKQTDK-SPGJAERMSA-N 0 3 292.329 3.077 20 30 CGEDHN CN(C)[C@H](CNCc1cccc(F)c1C#N)c1ccccc1 ZINC000601994885 347931612 /nfs/dbraw/zinc/93/16/12/347931612.db2.gz CYOKWBAPBCNPND-GOSISDBHSA-N 0 3 297.377 3.090 20 30 CGEDHN C[C@@H](Cc1ccsc1)NCc1cccc(F)c1C#N ZINC000602007124 347932549 /nfs/dbraw/zinc/93/25/49/347932549.db2.gz MWWQHASJDOCMSR-NSHDSACASA-N 0 3 274.364 3.480 20 30 CGEDHN Cc1csc(C2(NC[C@@H](C)CCC#N)CCC2)n1 ZINC000602530667 347976540 /nfs/dbraw/zinc/97/65/40/347976540.db2.gz ZOBYMQPJQAPTHF-NSHDSACASA-N 0 3 263.410 3.360 20 30 CGEDHN CN(CCCCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602448964 347960187 /nfs/dbraw/zinc/96/01/87/347960187.db2.gz XDRLXMKQECJJJD-UHFFFAOYSA-N 0 3 279.387 3.408 20 30 CGEDHN CCC[C@@H](C)[C@@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602486977 347967810 /nfs/dbraw/zinc/96/78/10/347967810.db2.gz XQBRIFISKLQUQF-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN N#CC1CCC(NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000602511172 347972976 /nfs/dbraw/zinc/97/29/76/347972976.db2.gz MOXNVKDKWBTFKI-UHFFFAOYSA-N 0 3 288.782 3.160 20 30 CGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(F)c(F)c1 ZINC000602520801 347975144 /nfs/dbraw/zinc/97/51/44/347975144.db2.gz JRSFNAAEFZENHM-LBPRGKRZSA-N 0 3 294.345 3.153 20 30 CGEDHN Cc1cnc(C(C)(C)NC[C@@H](C)CCC#N)s1 ZINC000602574124 347986025 /nfs/dbraw/zinc/98/60/25/347986025.db2.gz XJFQNRXYSGEMNC-JTQLQIEISA-N 0 3 251.399 3.216 20 30 CGEDHN CC(C)(CCC#N)CNCc1nc2ccccc2o1 ZINC000602661950 348003418 /nfs/dbraw/zinc/00/34/18/348003418.db2.gz LAAJOFLZRZMDMK-UHFFFAOYSA-N 0 3 257.337 3.247 20 30 CGEDHN Cc1nc2ccccc2nc1CNCC(C)(C)CCC#N ZINC000602662669 348003521 /nfs/dbraw/zinc/00/35/21/348003521.db2.gz QIQCRWSADTYVRU-UHFFFAOYSA-N 0 3 282.391 3.358 20 30 CGEDHN C[C@@H](CCC#N)CN1Cc2ccccc2O[C@H](C)C1 ZINC000602670658 348005773 /nfs/dbraw/zinc/00/57/73/348005773.db2.gz BJQLRIAYTFPGIS-UONOGXRCSA-N 0 3 258.365 3.209 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)n1 ZINC000602681477 348008095 /nfs/dbraw/zinc/00/80/95/348008095.db2.gz ARCUMMJUFDLOSP-IUODEOHRSA-N 0 3 299.399 3.025 20 30 CGEDHN CN(C)Cc1ccc(NC2CCC(C#N)CC2)c(F)c1 ZINC000602690002 348009907 /nfs/dbraw/zinc/00/99/07/348009907.db2.gz HZELLLFGAFMRQV-UHFFFAOYSA-N 0 3 275.371 3.382 20 30 CGEDHN CO[C@@H](CNCC1(C#N)CCCC1)C1CCCCC1 ZINC000602699177 348011993 /nfs/dbraw/zinc/01/19/93/348011993.db2.gz KDNNIHRDIXSLEV-HNNXBMFYSA-N 0 3 264.413 3.255 20 30 CGEDHN C[C@H]1CN(Cc2cccc(C#N)n2)CCc2ccc(F)cc21 ZINC000602703724 348013499 /nfs/dbraw/zinc/01/34/99/348013499.db2.gz CMCICFCYUIZMBH-ZDUSSCGKSA-N 0 3 295.361 3.254 20 30 CGEDHN C/C=C/C[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602729004 348019156 /nfs/dbraw/zinc/01/91/56/348019156.db2.gz HAAZGRFDSIWLCL-HSWBROFVSA-N 0 3 255.365 3.131 20 30 CGEDHN COc1ccc(CN(CC2(CC#N)CC2)C2CC2)cc1 ZINC000602756796 348023974 /nfs/dbraw/zinc/02/39/74/348023974.db2.gz QBGHBRQLIHOEFD-UHFFFAOYSA-N 0 3 270.376 3.353 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)CC1(CC#N)CC1 ZINC000602768491 348025731 /nfs/dbraw/zinc/02/57/31/348025731.db2.gz JGTJNUFRCATGSU-UHFFFAOYSA-N 0 3 267.376 3.463 20 30 CGEDHN N#CCC1(CN2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000602779691 348027194 /nfs/dbraw/zinc/02/71/94/348027194.db2.gz MNLXYXQBPJRNIH-SFHVURJKSA-N 0 3 298.430 3.404 20 30 CGEDHN CCc1nc([C@H](C)NC[C@H](C)CCC#N)cs1 ZINC000602553937 347980896 /nfs/dbraw/zinc/98/08/96/347980896.db2.gz LJWZWMORQFEDPT-MNOVXSKESA-N 0 3 251.399 3.296 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2cccc(C#N)n2)C1(CC)CC ZINC000602562261 347982682 /nfs/dbraw/zinc/98/26/82/347982682.db2.gz JAFWTKIXJBJQDZ-HOTGVXAUSA-N 0 3 287.407 3.027 20 30 CGEDHN CC(C)n1cc(C2=CCCN(CC3(CC#N)CC3)CC2)nn1 ZINC000602841166 348035598 /nfs/dbraw/zinc/03/55/98/348035598.db2.gz NFAXCDSHYVTHHH-UHFFFAOYSA-N 0 3 299.422 3.032 20 30 CGEDHN CC(C)(C)OC(=O)CC1(NCC2(C#N)CC2)CCCCC1 ZINC000602879180 348040134 /nfs/dbraw/zinc/04/01/34/348040134.db2.gz ZUPFXMCGPWMYAL-UHFFFAOYSA-N 0 3 292.423 3.314 20 30 CGEDHN N#Cc1ccccc1NC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602893005 348040787 /nfs/dbraw/zinc/04/07/87/348040787.db2.gz ADHDEAJHTNZPBQ-WMLDXEAASA-N 0 3 294.402 3.127 20 30 CGEDHN CCSCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000602893247 348040982 /nfs/dbraw/zinc/04/09/82/348040982.db2.gz DPPHPINHWIEVNP-UHFFFAOYSA-N 0 3 289.448 3.188 20 30 CGEDHN Cc1cnccc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908222 348042563 /nfs/dbraw/zinc/04/25/63/348042563.db2.gz ZWPKEUHLPZRZRZ-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccccc3F)CC2)C1 ZINC000602947501 348046185 /nfs/dbraw/zinc/04/61/85/348046185.db2.gz PONPTDLTWAXXOQ-ZIAGYGMSSA-N 0 3 288.366 3.361 20 30 CGEDHN CC(C)(C#N)CCCN1CCN(c2cccc(F)c2)CC1 ZINC000603017922 348054353 /nfs/dbraw/zinc/05/43/53/348054353.db2.gz YQIYJDJFURUKJF-UHFFFAOYSA-N 0 3 289.398 3.278 20 30 CGEDHN CC#CCN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000607728176 348258316 /nfs/dbraw/zinc/25/83/16/348258316.db2.gz NGTRLBNAYCYJQX-IAGOWNOFSA-N 0 3 257.377 3.109 20 30 CGEDHN COc1ccc(C(C)(C)CNC[C@H](C#N)CCC#N)cc1 ZINC000609574499 348347523 /nfs/dbraw/zinc/34/75/23/348347523.db2.gz FMZDXUVOPGZPJZ-AWEZNQCLSA-N 0 3 285.391 3.006 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000483239476 535073519 /nfs/dbraw/zinc/07/35/19/535073519.db2.gz XUQKQZDCGPDVPT-OAHLLOKOSA-N 0 3 299.418 3.255 20 30 CGEDHN CN(Cc1ccnc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000610991359 348413679 /nfs/dbraw/zinc/41/36/79/348413679.db2.gz LDYBURAFEAXSGR-GOSISDBHSA-N 0 3 277.371 3.463 20 30 CGEDHN CN(CCCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991632 348413816 /nfs/dbraw/zinc/41/38/16/348413816.db2.gz ANUOWHHEJFJCHV-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cc2ccccc2o1 ZINC000610813399 348404596 /nfs/dbraw/zinc/40/45/96/348404596.db2.gz FWAVRIKNRFQTOO-CYBMUJFWSA-N 0 3 283.375 3.071 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(CO)c1)c1cccc(C#N)c1 ZINC000611164890 348425410 /nfs/dbraw/zinc/42/54/10/348425410.db2.gz QLSAVNWRHOFPIS-KGLIPLIRSA-N 0 3 280.371 3.462 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1CO ZINC000611391521 348444440 /nfs/dbraw/zinc/44/44/40/348444440.db2.gz LTXINBKIUGCXJH-IBGZPJMESA-N 0 3 292.382 3.218 20 30 CGEDHN CCc1nn(C)cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393430 348445711 /nfs/dbraw/zinc/44/57/11/348445711.db2.gz JRRKMBCPIDHKNI-SFHVURJKSA-N 0 3 294.402 3.021 20 30 CGEDHN Cc1csc(CCN[C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000611465472 348453678 /nfs/dbraw/zinc/45/36/78/348453678.db2.gz VCEJBAXYLNONHN-LLVKDONJSA-N 0 3 289.379 3.356 20 30 CGEDHN C[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CN1C1CC1 ZINC000613427162 348601487 /nfs/dbraw/zinc/60/14/87/348601487.db2.gz SCKSCDKGNYMDTF-GXTWGEPZSA-N 0 3 298.434 3.288 20 30 CGEDHN C=C(C)CN1CCC(Oc2ccc(OC)cc2)CC1 ZINC000613457044 348606633 /nfs/dbraw/zinc/60/66/33/348606633.db2.gz PTOLLWBSVLXAKH-UHFFFAOYSA-N 0 3 261.365 3.115 20 30 CGEDHN COC1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160179 348653736 /nfs/dbraw/zinc/65/37/36/348653736.db2.gz IFTRNBBWMADWLP-UHFFFAOYSA-N 0 3 272.392 3.099 20 30 CGEDHN C[C@@H]1COCCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176085 348655555 /nfs/dbraw/zinc/65/55/55/348655555.db2.gz ALSUTDNGRGMOBV-CQSZACIVSA-N 0 3 272.392 3.099 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614178486 348655931 /nfs/dbraw/zinc/65/59/31/348655931.db2.gz FQICNVNCRUTTJE-JKSUJKDBSA-N 0 3 299.462 3.402 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc3cccnc3c2)C1 ZINC000613661458 348625875 /nfs/dbraw/zinc/62/58/75/348625875.db2.gz PQRKUHQHZBBVIW-DOMZBBRYSA-N 0 3 251.333 3.017 20 30 CGEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccnc(C#N)c1 ZINC000615005782 348706641 /nfs/dbraw/zinc/70/66/41/348706641.db2.gz RUOQEZITWCCXTI-LBPRGKRZSA-N 0 3 271.286 3.020 20 30 CGEDHN CCS[C@H]1CCCC[C@@H]1NCc1ccnc(C#N)c1 ZINC000615799223 348765844 /nfs/dbraw/zinc/76/58/44/348765844.db2.gz IDTBRHLTGKKZIS-GJZGRUSLSA-N 0 3 275.421 3.107 20 30 CGEDHN CCn1ccc(CN(C)Cc2ccc(CC#N)cc2)c1 ZINC000616786430 348877404 /nfs/dbraw/zinc/87/74/04/348877404.db2.gz YVPWGDHUIMLJEZ-UHFFFAOYSA-N 0 3 267.376 3.206 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000617785519 349012761 /nfs/dbraw/zinc/01/27/61/349012761.db2.gz KXCGZSXSZAQHOR-LVQVYYBASA-N 0 3 278.440 3.062 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1n[nH]c2ccccc12 ZINC000618740955 349151468 /nfs/dbraw/zinc/15/14/68/349151468.db2.gz AJIZUEMTYJUAJE-INIZCTEOSA-N 0 3 288.354 3.212 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1[nH]nc2ccccc21 ZINC000618740955 349151470 /nfs/dbraw/zinc/15/14/70/349151470.db2.gz AJIZUEMTYJUAJE-INIZCTEOSA-N 0 3 288.354 3.212 20 30 CGEDHN N#CCC1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000618819470 349157722 /nfs/dbraw/zinc/15/77/22/349157722.db2.gz FJPOKAYVZSHQAT-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN CCOc1cccc([C@@H](C)NCC2(CC#N)CC2)c1 ZINC000619535255 349257987 /nfs/dbraw/zinc/25/79/87/349257987.db2.gz PWOSRQVGGAFWRA-CYBMUJFWSA-N 0 3 258.365 3.430 20 30 CGEDHN C=C(C)CN(CCOC1CCOCC1)Cc1ccccc1 ZINC000625380303 350165912 /nfs/dbraw/zinc/16/59/12/350165912.db2.gz FVCNPJUMFAVRHJ-UHFFFAOYSA-N 0 3 289.419 3.260 20 30 CGEDHN C=CC[C@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000625701655 350199526 /nfs/dbraw/zinc/19/95/26/350199526.db2.gz LHYUCNFNPMNUFK-JTQLQIEISA-N 0 3 287.272 3.099 20 30 CGEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccccc2)C1 ZINC000625534386 350182286 /nfs/dbraw/zinc/18/22/86/350182286.db2.gz ABPAYHIVTJKRNV-HZPDHXFCSA-N 0 3 286.419 3.152 20 30 CGEDHN C=C(C)CCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625803182 350215771 /nfs/dbraw/zinc/21/57/71/350215771.db2.gz OAUSETXATGEVJD-SFHVURJKSA-N 0 3 285.387 3.453 20 30 CGEDHN C=CCCN(C)Cc1cc(C)c(Br)cn1 ZINC000628247246 350464511 /nfs/dbraw/zinc/46/45/11/350464511.db2.gz UFWBIYQNWHDRKZ-UHFFFAOYSA-N 0 3 269.186 3.160 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc3cccc(C)n23)C1 ZINC000628405991 350529494 /nfs/dbraw/zinc/52/94/94/350529494.db2.gz ZIYBPFIVVJLWPO-CQSZACIVSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccnn2-c2ccccc2OC)C1 ZINC000628406400 350529939 /nfs/dbraw/zinc/52/99/39/350529939.db2.gz JCOXIPPAPIOENE-HNNXBMFYSA-N 0 3 297.402 3.279 20 30 CGEDHN C=CCN(Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000271391174 191112331 /nfs/dbraw/zinc/11/23/31/191112331.db2.gz JWKSIZMVVNQYNQ-UHFFFAOYSA-N 0 3 253.349 3.023 20 30 CGEDHN C=CCCC(C)(C)CNCc1ncc(COC)s1 ZINC000631217774 350993145 /nfs/dbraw/zinc/99/31/45/350993145.db2.gz DTINOVSIYBBOMG-UHFFFAOYSA-N 0 3 268.426 3.372 20 30 CGEDHN C=CCCOCCNCc1ccc(CC(F)(F)F)cc1 ZINC000631101981 350953906 /nfs/dbraw/zinc/95/39/06/350953906.db2.gz RKSPYBLZCUHVEI-UHFFFAOYSA-N 0 3 287.325 3.474 20 30 CGEDHN N#Cc1cccc(OCCCN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000123353446 187086612 /nfs/dbraw/zinc/08/66/12/187086612.db2.gz MIWAWKOYEFNICB-GOSISDBHSA-N 0 3 295.386 3.492 20 30 CGEDHN C[C@H](F)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000367589266 234228213 /nfs/dbraw/zinc/22/82/13/234228213.db2.gz ZDJNWHQVEPZQQL-LBPRGKRZSA-N 0 3 294.345 3.289 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2ccnn2C)C1 ZINC000336451434 213317937 /nfs/dbraw/zinc/31/79/37/213317937.db2.gz FPTJRUDWQVQOIX-YOEHRIQHSA-N 0 3 294.402 3.232 20 30 CGEDHN CC#CCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000155377213 188202251 /nfs/dbraw/zinc/20/22/51/188202251.db2.gz NWKVWXWLBLMOEV-OAHLLOKOSA-N 0 3 271.360 3.008 20 30 CGEDHN COc1ccccc1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000271683082 191275660 /nfs/dbraw/zinc/27/56/60/191275660.db2.gz KHHPHYABKHMWTP-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C#CCCN[C@@H](CC)c1ccccc1OC(F)F ZINC000271731677 191295663 /nfs/dbraw/zinc/29/56/63/191295663.db2.gz HAHHKYYQNJTWDJ-LBPRGKRZSA-N 0 3 253.292 3.352 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(OC3CCCC3)CC2)C1 ZINC000336128808 283058608 /nfs/dbraw/zinc/05/86/08/283058608.db2.gz YQYYZPRZPOWWOF-KGLIPLIRSA-N 0 3 262.397 3.102 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000518192706 283138750 /nfs/dbraw/zinc/13/87/50/283138750.db2.gz PONRZNLCRAAATJ-FUHWJXTLSA-N 0 3 284.403 3.074 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccccc1C#N ZINC000124225190 138373821 /nfs/dbraw/zinc/37/38/21/138373821.db2.gz QJUUGVVLUXMEMI-RHSMWYFYSA-N 0 3 272.392 3.074 20 30 CGEDHN C[C@H]1C[C@H](CO)CCN1Cc1ccccc1C(C)(C)C#N ZINC000344145250 291124196 /nfs/dbraw/zinc/12/41/96/291124196.db2.gz OVZYTICHSNEJKJ-LSDHHAIUSA-N 0 3 286.419 3.081 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)C1CCCCC1 ZINC000425542498 236258612 /nfs/dbraw/zinc/25/86/12/236258612.db2.gz YEIRQBKLBQNNRU-RDTXWAMCSA-N 0 3 286.419 3.492 20 30 CGEDHN N#Cc1csc(CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000336204554 213024607 /nfs/dbraw/zinc/02/46/07/213024607.db2.gz CPIJBJMIGGBJRM-UHFFFAOYSA-N 0 3 290.432 3.137 20 30 CGEDHN C[C@H](NCCC(C)(F)F)c1ccc(C#N)c(F)c1 ZINC000297442565 200191606 /nfs/dbraw/zinc/19/16/06/200191606.db2.gz WHWGDIWEVMNAAO-VIFPVBQESA-N 0 3 256.271 3.393 20 30 CGEDHN C[C@@](CO)(NCc1ccc(C#N)s1)C1CCCCC1 ZINC000176973917 189017868 /nfs/dbraw/zinc/01/78/68/189017868.db2.gz VQANGDWNHYXBSG-HNNXBMFYSA-N 0 3 278.421 3.041 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)o1)[C@@H](C)c1ccccc1 ZINC000177582846 189058437 /nfs/dbraw/zinc/05/84/37/189058437.db2.gz MOQSIYLVUPJNLG-CHWSQXEVSA-N 0 3 254.333 3.433 20 30 CGEDHN C[C@H](NCCN(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000181557185 189300524 /nfs/dbraw/zinc/30/05/24/189300524.db2.gz WWXOQZNTCDTRAL-INIZCTEOSA-N 0 3 293.414 3.341 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C)c1ccc(C#N)cc1 ZINC000181767887 189306174 /nfs/dbraw/zinc/30/61/74/189306174.db2.gz FBPQNSUHTJWGHU-DOMZBBRYSA-N 0 3 260.381 3.006 20 30 CGEDHN COc1ccc(CN(C)CCC(C)(C)C#N)cc1C ZINC000119631532 370693077 /nfs/dbraw/zinc/69/30/77/370693077.db2.gz ZUJZOLDCQFYMMS-UHFFFAOYSA-N 0 3 260.381 3.375 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000302104883 201344102 /nfs/dbraw/zinc/34/41/02/201344102.db2.gz MYUFROUOAILAIR-KBPBESRZSA-N 0 3 299.418 3.293 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@H](CC(C)C)N(C)C ZINC000302131351 201355949 /nfs/dbraw/zinc/35/59/49/201355949.db2.gz YGVMQUULVGZGGL-HNNXBMFYSA-N 0 3 287.407 3.149 20 30 CGEDHN COc1ccc(C#N)cc1CN[C@@H]1CC(C)(C)OC1(C)C ZINC000119689814 370697890 /nfs/dbraw/zinc/69/78/90/370697890.db2.gz IIKNKIPMPATAFU-OAHLLOKOSA-N 0 3 288.391 3.003 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]2C2CCC2)ccc1F ZINC000119877782 370717786 /nfs/dbraw/zinc/71/77/86/370717786.db2.gz KMEVEGGFFAFMEL-INIZCTEOSA-N 0 3 258.340 3.462 20 30 CGEDHN CCN(Cc1cccn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000119880627 370718477 /nfs/dbraw/zinc/71/84/77/370718477.db2.gz BOEYQZQPMABBHQ-CQSZACIVSA-N 0 3 267.376 3.480 20 30 CGEDHN CC1(C)CCCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000119918937 370724029 /nfs/dbraw/zinc/72/40/29/370724029.db2.gz SIUVDPZZQLIUIU-HNNXBMFYSA-N 0 3 285.391 3.055 20 30 CGEDHN CC(C)[C@H](CO)[C@@H](NCc1cccc(C#N)c1F)C(C)C ZINC000451600779 240333415 /nfs/dbraw/zinc/33/34/15/240333415.db2.gz SRNSVFPLAPOAHD-RDJZCZTQSA-N 0 3 292.398 3.076 20 30 CGEDHN CCC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000453260998 240804535 /nfs/dbraw/zinc/80/45/35/240804535.db2.gz YJQUMPQPUXONQY-DGCLKSJQSA-N 0 3 264.344 3.163 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000121052265 370825022 /nfs/dbraw/zinc/82/50/22/370825022.db2.gz UFBFWZSJPFQMLW-HOCLYGCPSA-N 0 3 270.376 3.331 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)CC[C@H]1C ZINC000121102124 370829740 /nfs/dbraw/zinc/82/97/40/370829740.db2.gz MLRYVILHZVDTAB-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN CN(C)c1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000015028506 368688412 /nfs/dbraw/zinc/68/84/12/368688412.db2.gz HTJHTMIWRFBLIR-UHFFFAOYSA-N 0 3 279.387 3.256 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000330626175 203055779 /nfs/dbraw/zinc/05/57/79/203055779.db2.gz UYMRPBZRDLUMDN-HNNXBMFYSA-N 0 3 285.391 3.007 20 30 CGEDHN C=C(C)COCCNCc1ccc(OC(C)C)cc1 ZINC000125791112 370941903 /nfs/dbraw/zinc/94/19/03/370941903.db2.gz UEHZEJDVVMUUIO-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN CC(C)(C)[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000330620655 203048295 /nfs/dbraw/zinc/04/82/95/203048295.db2.gz KQQCZSOKNOJSFG-OAHLLOKOSA-N 0 3 285.391 3.007 20 30 CGEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1)c1cccs1 ZINC000020147652 368805189 /nfs/dbraw/zinc/80/51/89/368805189.db2.gz AUULNQKMZCAMGM-HNNXBMFYSA-N 0 3 285.416 3.012 20 30 CGEDHN N#Cc1ccc(CNCCc2ccccc2)c(F)c1 ZINC000020050673 368796199 /nfs/dbraw/zinc/79/61/99/368796199.db2.gz IAJOCEVINQEACP-UHFFFAOYSA-N 0 3 254.308 3.030 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCC3)n1 ZINC000041519406 369189948 /nfs/dbraw/zinc/18/99/48/369189948.db2.gz PKAITJWPVCUFGH-AWEZNQCLSA-N 0 3 282.368 3.430 20 30 CGEDHN C[C@H](NCCOc1ccccc1)c1cccc(C#N)c1 ZINC000042894738 369236739 /nfs/dbraw/zinc/23/67/39/369236739.db2.gz KYXLHAVMLZIZBC-AWEZNQCLSA-N 0 3 266.344 3.288 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000044812977 369270627 /nfs/dbraw/zinc/27/06/27/369270627.db2.gz ZLMVOGDKBDHHGR-SFYZADRCSA-N 0 3 271.147 3.330 20 30 CGEDHN CC(C)CCOCCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000045094149 369274749 /nfs/dbraw/zinc/27/47/49/369274749.db2.gz SITTWQYKPHFELD-OAHLLOKOSA-N 0 3 290.407 3.302 20 30 CGEDHN N#CC(C(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 ZINC000046706266 369296628 /nfs/dbraw/zinc/29/66/28/369296628.db2.gz PHXXYNFWWZEMSF-GFCCVEGCSA-N 0 3 297.264 3.331 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCCCO1 ZINC000054271954 369500151 /nfs/dbraw/zinc/50/01/51/369500151.db2.gz UFZZHBAGFJTPQX-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386547 369516847 /nfs/dbraw/zinc/51/68/47/369516847.db2.gz QGHSUZUQWUMEQS-CJNGLKHVSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@H](CN1CCCCC1)Nc1cc(Cl)ccc1C#N ZINC000062785408 369629775 /nfs/dbraw/zinc/62/97/75/369629775.db2.gz LXQJGBBGIZMZNO-GFCCVEGCSA-N 0 3 277.799 3.498 20 30 CGEDHN C=CCC[C@H](NCC[S@@](=O)C(C)(C)C)c1ccco1 ZINC000276436084 193330317 /nfs/dbraw/zinc/33/03/17/193330317.db2.gz JNQRYPCQBIBUIG-ORAYPTAESA-N 0 3 283.437 3.424 20 30 CGEDHN C=CCCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276508701 193362371 /nfs/dbraw/zinc/36/23/71/193362371.db2.gz XCAJCLOFTJWJRM-UHFFFAOYSA-N 0 3 254.717 3.256 20 30 CGEDHN CSCCN(C)Cc1cccc(OCCCC#N)c1 ZINC000093509478 370139149 /nfs/dbraw/zinc/13/91/49/370139149.db2.gz CTNDHVSFHKSQPD-UHFFFAOYSA-N 0 3 278.421 3.164 20 30 CGEDHN C[C@@H](C[C@H](O)c1ccccc1)NCc1ccc(C#N)s1 ZINC000129910158 371006357 /nfs/dbraw/zinc/00/63/57/371006357.db2.gz ZCUDFECQLGLHFD-LRDDRELGSA-N 0 3 286.400 3.222 20 30 CGEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)cc1 ZINC000134227192 371313032 /nfs/dbraw/zinc/31/30/32/371313032.db2.gz DIUDSWGKOGLAOG-AUUYWEPGSA-N 0 3 292.382 3.382 20 30 CGEDHN CS[C@H]1CCCCN(CCOc2ccccc2C#N)C1 ZINC000134559333 371350304 /nfs/dbraw/zinc/35/03/04/371350304.db2.gz HMQUANUFIXVRLQ-HNNXBMFYSA-N 0 3 290.432 3.155 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCC[C@H](SC)C1 ZINC000134610110 371355035 /nfs/dbraw/zinc/35/50/35/371355035.db2.gz HVRIUILYFRFVAA-HNNXBMFYSA-N 0 3 290.432 3.284 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCOC3(CCCCC3)C2)o1 ZINC000136748283 371483231 /nfs/dbraw/zinc/48/32/31/371483231.db2.gz KDZRDNLIGXBZLS-CYBMUJFWSA-N 0 3 274.364 3.123 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136959140 371488412 /nfs/dbraw/zinc/48/84/12/371488412.db2.gz XHAYOAAPEHSZPB-CGTJXYLNSA-N 0 3 285.435 3.179 20 30 CGEDHN C#CCCCCNCc1cnc(C(C)(C)C)s1 ZINC000150737769 371534765 /nfs/dbraw/zinc/53/47/65/371534765.db2.gz IHUTWWQWAZQFNT-UHFFFAOYSA-N 0 3 250.411 3.334 20 30 CGEDHN C=CC[C@H](CC)N[C@H](C)c1cc(OC)ncc1F ZINC000287206348 371620746 /nfs/dbraw/zinc/62/07/46/371620746.db2.gz WQLNIYYHAPOATD-MNOVXSKESA-N 0 3 252.333 3.235 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(OCC(C)C)c1 ZINC000154769064 371877198 /nfs/dbraw/zinc/87/71/98/371877198.db2.gz RGUIAJFCVXQALV-UHFFFAOYSA-N 0 3 263.381 3.348 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(F)cc2)sc1C ZINC000155654381 371939063 /nfs/dbraw/zinc/93/90/63/371939063.db2.gz MJHORFMPILVFSR-LBPRGKRZSA-N 0 3 289.335 3.145 20 30 CGEDHN C#Cc1ccc(CN(CC)CCc2nccs2)cc1 ZINC000290174421 371922218 /nfs/dbraw/zinc/92/22/18/371922218.db2.gz YPMXISAVMUCDBX-UHFFFAOYSA-N 0 3 270.401 3.189 20 30 CGEDHN C[C@H](NCCCC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000344156744 217079235 /nfs/dbraw/zinc/07/92/35/217079235.db2.gz AVYRLLWETSPGHN-ZDUSSCGKSA-N 0 3 288.391 3.331 20 30 CGEDHN CC#CCCN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000157973422 372045711 /nfs/dbraw/zinc/04/57/11/372045711.db2.gz XYFQIHSCJJRWNX-INIZCTEOSA-N 0 3 294.402 3.065 20 30 CGEDHN CN(CCc1ccccc1O)Cc1ccc(F)c(C#N)c1 ZINC000344220900 217104823 /nfs/dbraw/zinc/10/48/23/217104823.db2.gz RKJGQGOJJUUYGD-UHFFFAOYSA-N 0 3 284.334 3.077 20 30 CGEDHN C[C@@H](NC[C@H]1NCCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446300 372063847 /nfs/dbraw/zinc/06/38/47/372063847.db2.gz ZANBYGHACYENRG-AUUYWEPGSA-N 0 3 291.398 3.096 20 30 CGEDHN N#Cc1c(F)cccc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000428220898 372182078 /nfs/dbraw/zinc/18/20/78/372182078.db2.gz IOAGJIUZZAXSDF-CHWSQXEVSA-N 0 3 258.340 3.319 20 30 CGEDHN CC(C)N(CC#Cc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000291878094 372176170 /nfs/dbraw/zinc/17/61/70/372176170.db2.gz QARKPCCSYWJFKM-MRXNPFEDSA-N 0 3 277.795 3.191 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cc(C)cc(C)c2)n1 ZINC000160154873 372218716 /nfs/dbraw/zinc/21/87/16/372218716.db2.gz HMVJLGRQOQSWHF-ZDUSSCGKSA-N 0 3 285.372 3.314 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc(OC(F)F)cc1 ZINC000429715472 372377764 /nfs/dbraw/zinc/37/77/64/372377764.db2.gz INSARIMLXGCMCF-UHFFFAOYSA-N 0 3 298.377 3.228 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cc(C)sc1C ZINC000429717419 372378218 /nfs/dbraw/zinc/37/82/18/372378218.db2.gz LWNAEOHUBNPFJT-UHFFFAOYSA-N 0 3 266.454 3.305 20 30 CGEDHN C=CCCCN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210759 372386702 /nfs/dbraw/zinc/38/67/02/372386702.db2.gz FKGKQBOYTJPYOS-UHFFFAOYSA-N 0 3 264.325 3.001 20 30 CGEDHN CC[C@H]1CCN1Cc1cccc(OCCCC#N)c1 ZINC000430195587 372386855 /nfs/dbraw/zinc/38/68/55/372386855.db2.gz OIYBQJRJBIBCFD-HNNXBMFYSA-N 0 3 258.365 3.353 20 30 CGEDHN COc1ccsc1[C@H](C)NCC1(CC#N)CC1 ZINC000430739754 372393837 /nfs/dbraw/zinc/39/38/37/372393837.db2.gz IHEGEEIVTLNKRV-JTQLQIEISA-N 0 3 250.367 3.101 20 30 CGEDHN C=CCC[C@@H](NCCNC(=O)[C@H](C)CCC)c1ccco1 ZINC000293591728 372420484 /nfs/dbraw/zinc/42/04/84/372420484.db2.gz CUCSDCQEYSUJIA-HUUCEWRRSA-N 0 3 292.423 3.429 20 30 CGEDHN CC(C)(C)OC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000162649179 372409827 /nfs/dbraw/zinc/40/98/27/372409827.db2.gz DQECSIAIKPMWJK-UHFFFAOYSA-N 0 3 272.392 3.338 20 30 CGEDHN C=C(C)COCCNCc1cc(F)cc(Cl)c1 ZINC000163558370 372479556 /nfs/dbraw/zinc/47/95/56/372479556.db2.gz URJJBMOLXZCREF-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](c2ccccc2)C1 ZINC000433045365 372580175 /nfs/dbraw/zinc/58/01/75/372580175.db2.gz DXSFARMGJLXYBZ-SFHVURJKSA-N 0 3 298.430 3.067 20 30 CGEDHN CC(C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433220389 372583703 /nfs/dbraw/zinc/58/37/03/372583703.db2.gz KUJXITXLVJCEPI-INIZCTEOSA-N 0 3 272.392 3.311 20 30 CGEDHN CCN(CC(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000433223356 372584123 /nfs/dbraw/zinc/58/41/23/372584123.db2.gz OOBADDROXRSYKQ-MRXNPFEDSA-N 0 3 272.392 3.263 20 30 CGEDHN CC[C@H](C)[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433354499 372597553 /nfs/dbraw/zinc/59/75/53/372597553.db2.gz NJMXIXADRDNAPT-DZKIICNBSA-N 0 3 272.392 3.310 20 30 CGEDHN CCc1cncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000434621256 372694702 /nfs/dbraw/zinc/69/47/02/372694702.db2.gz QVAZMAYUOTWJBM-ZDUSSCGKSA-N 0 3 290.326 3.010 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccncc1C ZINC000295405914 372767997 /nfs/dbraw/zinc/76/79/97/372767997.db2.gz MPLIYEQQGXZVOX-UHFFFAOYSA-N 0 3 256.349 3.214 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccccc1Cl ZINC000435736014 372799885 /nfs/dbraw/zinc/79/98/85/372799885.db2.gz SJKQTPOLQCDBSG-ZFWWWQNUSA-N 0 3 265.784 3.411 20 30 CGEDHN CC1(C)CCCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000438370873 372943236 /nfs/dbraw/zinc/94/32/36/372943236.db2.gz KJTLFQNCEUZGKV-UHFFFAOYSA-N 0 3 282.391 3.218 20 30 CGEDHN C=CCN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000441176503 372998504 /nfs/dbraw/zinc/99/85/04/372998504.db2.gz MCHSPNDDQXFLRI-CRAIPNDOSA-N 0 3 287.451 3.108 20 30 CGEDHN CN(C)c1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000172720304 373022086 /nfs/dbraw/zinc/02/20/86/373022086.db2.gz LYDVVRMNYQIISV-UHFFFAOYSA-N 0 3 279.387 3.256 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000442770613 373075042 /nfs/dbraw/zinc/07/50/42/373075042.db2.gz RTHDJHPFDPYCJI-IUODEOHRSA-N 0 3 299.349 3.305 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(OCC(F)F)c2)C1 ZINC000442863583 373110171 /nfs/dbraw/zinc/11/01/71/373110171.db2.gz CYUSXDFSAZABRH-YPMHNXCESA-N 0 3 280.318 3.112 20 30 CGEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1cccc(Cl)c1 ZINC000443334766 373152022 /nfs/dbraw/zinc/15/20/22/373152022.db2.gz NBELWFRBWQONHR-CKEIUWERSA-N 0 3 291.822 3.173 20 30 CGEDHN CSCCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173666913 373172976 /nfs/dbraw/zinc/17/29/76/373172976.db2.gz COKGQMXRNNEHSN-UHFFFAOYSA-N 0 3 290.432 3.155 20 30 CGEDHN C[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000174024413 373236038 /nfs/dbraw/zinc/23/60/38/373236038.db2.gz SJRCPRQQIIYKIA-OAHLLOKOSA-N 0 3 299.418 3.002 20 30 CGEDHN C=CCN1CCC(NC(=O)C2(CC(C)C)CCCC2)CC1 ZINC000446057918 373319797 /nfs/dbraw/zinc/31/97/97/373319797.db2.gz BGJIPQXMPDMXCK-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccccc1C#N ZINC000176852224 373636191 /nfs/dbraw/zinc/63/61/91/373636191.db2.gz LMXJIGJOYBKTFY-AWEZNQCLSA-N 0 3 280.371 3.327 20 30 CGEDHN CN(CCNc1ccc(C#N)cc1)Cc1ccccc1 ZINC000301069946 373649090 /nfs/dbraw/zinc/64/90/90/373649090.db2.gz FJGAMWIXWXJIRU-UHFFFAOYSA-N 0 3 265.360 3.102 20 30 CGEDHN C=CCCCC[C@H](C)[NH2+][C@H](C)c1nnc(CC)[n-]1 ZINC000449203771 373669866 /nfs/dbraw/zinc/66/98/66/373669866.db2.gz KXESDFBBCWSOJS-NWDGAFQWSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H](C)c1nnc(CC)[nH]1 ZINC000449203771 373669875 /nfs/dbraw/zinc/66/98/75/373669875.db2.gz KXESDFBBCWSOJS-NWDGAFQWSA-N 0 3 250.390 3.153 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1F)c1cccs1 ZINC000301137178 373673609 /nfs/dbraw/zinc/67/36/09/373673609.db2.gz BOHQTPRSAPGNFF-AWEZNQCLSA-N 0 3 289.379 3.474 20 30 CGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1F)c1cccs1 ZINC000301137179 373674075 /nfs/dbraw/zinc/67/40/75/373674075.db2.gz BOHQTPRSAPGNFF-CQSZACIVSA-N 0 3 289.379 3.474 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1nnc(C(C)C)[nH]1 ZINC000449404834 373687214 /nfs/dbraw/zinc/68/72/14/373687214.db2.gz FUSBBZHRSBBSIX-GFCCVEGCSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000449404834 373687217 /nfs/dbraw/zinc/68/72/17/373687217.db2.gz FUSBBZHRSBBSIX-GFCCVEGCSA-N 0 3 250.390 3.153 20 30 CGEDHN CCC[C@H](NCc1nc(C#N)cs1)C(C)(C)C ZINC000449473556 373759781 /nfs/dbraw/zinc/75/97/81/373759781.db2.gz QZBDGJHUNXRLHC-NSHDSACASA-N 0 3 251.399 3.319 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(F)cc1C(F)(F)F ZINC000449524142 373821783 /nfs/dbraw/zinc/82/17/83/373821783.db2.gz ZBKHFUSUTJGLMS-OLZOCXBDSA-N 0 3 289.272 3.278 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)ccc1F ZINC000449548957 373830700 /nfs/dbraw/zinc/83/07/00/373830700.db2.gz SKTATPALLZDGDU-KGLIPLIRSA-N 0 3 269.747 3.302 20 30 CGEDHN CN1CC[C@H](NCc2cc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000179046024 373831381 /nfs/dbraw/zinc/83/13/81/373831381.db2.gz DJBXTGJZUFRPLK-IRXDYDNUSA-N 0 3 297.427 3.155 20 30 CGEDHN C=C(CC)CNCc1c(C2CC2)nc2sccn12 ZINC000449737074 373865147 /nfs/dbraw/zinc/86/51/47/373865147.db2.gz YHQPBOWIAVDYKF-UHFFFAOYSA-N 0 3 261.394 3.329 20 30 CGEDHN CO[C@@H](Cc1ccccc1)CN(C)Cc1cccc(C#N)c1 ZINC000450225234 374008539 /nfs/dbraw/zinc/00/85/39/374008539.db2.gz FVIAPJJQFUJUJG-IBGZPJMESA-N 0 3 294.398 3.248 20 30 CGEDHN C=CCC[C@H](O)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000180874509 374054115 /nfs/dbraw/zinc/05/41/15/374054115.db2.gz RPIXHWILGNTEIR-LBPRGKRZSA-N 0 3 269.335 3.117 20 30 CGEDHN CCc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)ccn1 ZINC000450402630 374106223 /nfs/dbraw/zinc/10/62/23/374106223.db2.gz ABVCSAJCMPPWSK-SFHVURJKSA-N 0 3 293.370 3.094 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000305762076 374107158 /nfs/dbraw/zinc/10/71/58/374107158.db2.gz FFZLFZKBEOKUDH-TZMCWYRMSA-N 0 3 251.345 3.112 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000181766317 374166594 /nfs/dbraw/zinc/16/65/94/374166594.db2.gz KAJGNRUWEBYLQE-MRXNPFEDSA-N 0 3 299.418 3.175 20 30 CGEDHN N#CC1(CN[C@H](Cc2ccccc2)C2CC2)CCC1 ZINC000450685137 374171020 /nfs/dbraw/zinc/17/10/20/374171020.db2.gz KNXDAQVTCGXDKE-MRXNPFEDSA-N 0 3 254.377 3.291 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000452057155 374219603 /nfs/dbraw/zinc/21/96/03/374219603.db2.gz VOCJCYYTGQSFOW-HZPDHXFCSA-N 0 3 276.355 3.135 20 30 CGEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000182486827 374281538 /nfs/dbraw/zinc/28/15/38/374281538.db2.gz YBIFWPZEGCXGKC-XYPHTWIQSA-N 0 3 297.402 3.007 20 30 CGEDHN CC(C)N(CC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000183036460 374359738 /nfs/dbraw/zinc/35/97/38/374359738.db2.gz LZYKEVMWVPLYTA-UHFFFAOYSA-N 0 3 287.407 3.052 20 30 CGEDHN CN(CCNC(=O)c1coc(C2CCCCC2)n1)C1CC1 ZINC000328739841 374379237 /nfs/dbraw/zinc/37/92/37/374379237.db2.gz LKPNOLULMIYFAV-UHFFFAOYSA-N 0 3 291.395 3.121 20 30 CGEDHN C[C@H](NCC1(CF)CCOCC1)c1ccc(C#N)cc1F ZINC000453306730 374408729 /nfs/dbraw/zinc/40/87/29/374408729.db2.gz JAKIEXOYDJBIOP-LBPRGKRZSA-N 0 3 294.345 3.114 20 30 CGEDHN C=CCC[C@@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000184834963 374564627 /nfs/dbraw/zinc/56/46/27/374564627.db2.gz PNJAOVKOTHDJNF-OCCSQVGLSA-N 0 3 251.370 3.474 20 30 CGEDHN CCOC(=O)C[C@](C)(NCc1cc(C#N)cs1)C(C)C ZINC000185232139 374616761 /nfs/dbraw/zinc/61/67/61/374616761.db2.gz GTACHRCAQOYZOX-HNNXBMFYSA-N 0 3 294.420 3.077 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000185246204 374620589 /nfs/dbraw/zinc/62/05/89/374620589.db2.gz IOLMYCZCDXYYFX-CQSZACIVSA-N 0 3 292.423 3.081 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185830874 374746916 /nfs/dbraw/zinc/74/69/16/374746916.db2.gz OGHOEJALXKFJGJ-GOEBONIOSA-N 0 3 270.376 3.423 20 30 CGEDHN C[C@@H](NCc1cc(C#N)cs1)[C@H](c1ccccc1)N(C)C ZINC000185679362 374712444 /nfs/dbraw/zinc/71/24/44/374712444.db2.gz DNRXUFPELJPYPA-CXAGYDPISA-N 0 3 299.443 3.401 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000185761868 374731780 /nfs/dbraw/zinc/73/17/80/374731780.db2.gz XVSVVNGNRYLVOY-OFQRWUPVSA-N 0 3 295.390 3.000 20 30 CGEDHN C[C@@H](NC1CC(C)(F)C1)c1ccc(C#N)c(F)c1 ZINC000334520282 374817059 /nfs/dbraw/zinc/81/70/59/374817059.db2.gz OUTDXIXJSNKOKC-JTZLXEIQSA-N 0 3 250.292 3.239 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccccc1OC(F)(F)F ZINC000186696398 374900450 /nfs/dbraw/zinc/90/04/50/374900450.db2.gz HIABVBCSVYVLBH-QWRGUYRKSA-N 0 3 289.297 3.173 20 30 CGEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(OC(F)F)c1 ZINC000464859814 374912342 /nfs/dbraw/zinc/91/23/42/374912342.db2.gz YUGULDQRIDAHQL-CHWSQXEVSA-N 0 3 292.329 3.392 20 30 CGEDHN C=C(C)[C@@H](NCCCCCO)c1ccc(F)c(F)c1 ZINC000187777395 375090751 /nfs/dbraw/zinc/09/07/51/375090751.db2.gz NWQILWNBYZOIAK-OAHLLOKOSA-N 0 3 269.335 3.334 20 30 CGEDHN C=C(C)[C@H](NCCCn1ccnc1)c1ccc(F)c(F)c1 ZINC000187779318 375093702 /nfs/dbraw/zinc/09/37/02/375093702.db2.gz HTGRPHDVXVQKCW-INIZCTEOSA-N 0 3 291.345 3.458 20 30 CGEDHN C=C[C@H](C)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000478220834 375147517 /nfs/dbraw/zinc/14/75/17/375147517.db2.gz ADHKPDWASJEGLD-LBPRGKRZSA-N 0 3 261.365 3.306 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(OC)c2ccccc12 ZINC000483418205 375180143 /nfs/dbraw/zinc/18/01/43/375180143.db2.gz GCCJCIYVGOXNGE-UHFFFAOYSA-N 0 3 285.387 3.483 20 30 CGEDHN C#CCN(Cc1cc2cccnc2o1)C1CCCC1 ZINC000491694225 375341762 /nfs/dbraw/zinc/34/17/62/375341762.db2.gz KTZGMWSFGKKANM-UHFFFAOYSA-N 0 3 254.333 3.206 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cnc3ccccc3c2)C1 ZINC000335846032 375478776 /nfs/dbraw/zinc/47/87/76/375478776.db2.gz CBXQNVXXODMIJE-XJKSGUPXSA-N 0 3 265.360 3.407 20 30 CGEDHN C=CCN(C)Cc1ccc(OCc2cccnc2)cc1 ZINC000494658233 375489922 /nfs/dbraw/zinc/48/99/22/375489922.db2.gz WXWJTEJDUMLPIX-UHFFFAOYSA-N 0 3 268.360 3.278 20 30 CGEDHN Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)ccc1C#N ZINC000335933690 375549933 /nfs/dbraw/zinc/54/99/33/375549933.db2.gz NSHGURWUJXKDLX-SJORKVTESA-N 0 3 270.376 3.010 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000498922298 375628325 /nfs/dbraw/zinc/62/83/25/375628325.db2.gz KZRJTIONPFRZGP-CVEARBPZSA-N 0 3 299.462 3.402 20 30 CGEDHN CCCO[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192015713 375689247 /nfs/dbraw/zinc/68/92/47/375689247.db2.gz VMQIFSNLWIEIQD-MRXNPFEDSA-N 0 3 290.382 3.478 20 30 CGEDHN N#Cc1ccc(CN[C@H](CCCO)c2ccccc2)cc1F ZINC000192158693 375704749 /nfs/dbraw/zinc/70/47/49/375704749.db2.gz HSBGWWLFCPJLHT-GOSISDBHSA-N 0 3 298.361 3.301 20 30 CGEDHN N#CCCCCNCc1c(F)cccc1Br ZINC000192548887 375764124 /nfs/dbraw/zinc/76/41/24/375764124.db2.gz UNQPSOFVGATAAN-UHFFFAOYSA-N 0 3 285.160 3.372 20 30 CGEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sccc1C#N ZINC000192623997 375772756 /nfs/dbraw/zinc/77/27/56/375772756.db2.gz HSLPVUIMQBWNMP-AAEUAGOBSA-N 0 3 291.420 3.069 20 30 CGEDHN C[C@@H]1CSC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000512204511 375794232 /nfs/dbraw/zinc/79/42/32/375794232.db2.gz URRKYUZUOFUPAV-BXUZGUMPSA-N 0 3 265.809 3.033 20 30 CGEDHN C[C@@H]1CSC[C@H]1NCC#Cc1ccccc1Cl ZINC000512176048 375795041 /nfs/dbraw/zinc/79/50/41/375795041.db2.gz AVKJNAHJRFYCIM-BXUZGUMPSA-N 0 3 265.809 3.033 20 30 CGEDHN C=CCCOCCN[C@H]1CCCNc2ccccc21 ZINC000193052472 375820439 /nfs/dbraw/zinc/82/04/39/375820439.db2.gz RSQZTRNMCQRZSL-INIZCTEOSA-N 0 3 260.381 3.116 20 30 CGEDHN CC(C)[C@H]1CN(CCCC#N)CCN1Cc1ccccc1 ZINC000528641076 375907235 /nfs/dbraw/zinc/90/72/35/375907235.db2.gz RSCNAZHBUJROTL-GOSISDBHSA-N 0 3 285.435 3.133 20 30 CGEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1CCCC#N ZINC000528612250 375907348 /nfs/dbraw/zinc/90/73/48/375907348.db2.gz VSFXFLCQFCPAMH-GOSISDBHSA-N 0 3 285.435 3.133 20 30 CGEDHN CN(CC#Cc1ccc(F)cc1)C1Cc2ccccc2C1 ZINC000532605960 375952262 /nfs/dbraw/zinc/95/22/62/375952262.db2.gz QIKZKIZGRFEOKU-UHFFFAOYSA-N 0 3 279.358 3.276 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@@H](c3ccccc3)CC2)C1=O ZINC000337145610 376100681 /nfs/dbraw/zinc/10/06/81/376100681.db2.gz XMNMPLMJKQMYAL-MSOLQXFVSA-N 0 3 298.430 3.043 20 30 CGEDHN CCC(CC)N(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000535802396 376062255 /nfs/dbraw/zinc/06/22/55/376062255.db2.gz CRXFQFDROMAVMC-UHFFFAOYSA-N 0 3 282.391 3.359 20 30 CGEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2cccc(C)c2C)C1=O ZINC000337197412 376130603 /nfs/dbraw/zinc/13/06/03/376130603.db2.gz XDLAPQAMTDZDKU-MSOLQXFVSA-N 0 3 298.430 3.227 20 30 CGEDHN C=CCN1CC[C@@H](N2CC[C@@H](C)C3(CCCCC3)C2)C1=O ZINC000337216058 376143426 /nfs/dbraw/zinc/14/34/26/376143426.db2.gz YXKXEZOBHPJQBM-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]2Cc2ccccc2)s1 ZINC000537619148 376183801 /nfs/dbraw/zinc/18/38/01/376183801.db2.gz XHVDEIYBUCHRCP-AWEZNQCLSA-N 0 3 268.385 3.437 20 30 CGEDHN C=CC1CCN(Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000537626716 376185249 /nfs/dbraw/zinc/18/52/49/376185249.db2.gz CRZIONBFTXWUKT-ZDUSSCGKSA-N 0 3 287.403 3.417 20 30 CGEDHN C=CCSCCNCc1c[nH]nc1-c1ccccc1 ZINC000222060243 376228218 /nfs/dbraw/zinc/22/82/18/376228218.db2.gz YJRNZSFEMZUFAR-UHFFFAOYSA-N 0 3 273.405 3.086 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000539433947 376312118 /nfs/dbraw/zinc/31/21/18/376312118.db2.gz VQUBZGPFWDLUBD-ARFHVFGLSA-N 0 3 295.471 3.293 20 30 CGEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000539588860 376320790 /nfs/dbraw/zinc/32/07/90/376320790.db2.gz SKEZVZVNPFXNTJ-CQSZACIVSA-N 0 3 294.439 3.370 20 30 CGEDHN C=CCOc1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1OC ZINC000539834317 376340075 /nfs/dbraw/zinc/34/00/75/376340075.db2.gz SBMYAJBGEDRWCL-GASCZTMLSA-N 0 3 287.403 3.348 20 30 CGEDHN CCOc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000540992239 376412085 /nfs/dbraw/zinc/41/20/85/376412085.db2.gz CPBANQMLOVJEED-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1OCCN1CCC(CC#N)CC1 ZINC000541022475 376414426 /nfs/dbraw/zinc/41/44/26/376414426.db2.gz FZIXTDMOHHPGGS-ZBFHGGJFSA-N 0 3 264.413 3.207 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540152973 376361173 /nfs/dbraw/zinc/36/11/73/376361173.db2.gz YCPBPCTWGWLSIH-CYBMUJFWSA-N 0 3 278.352 3.147 20 30 CGEDHN C=CC1CCN(CCc2cccc(F)c2F)CC1 ZINC000542279410 376530413 /nfs/dbraw/zinc/53/04/13/376530413.db2.gz UZPHZTMJJMRJLN-UHFFFAOYSA-N 0 3 251.320 3.405 20 30 CGEDHN CCCn1nccc1C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339157821 376716557 /nfs/dbraw/zinc/71/65/57/376716557.db2.gz VXLSTRMUSAESJR-HOCLYGCPSA-N 0 3 286.423 3.165 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000339441410 376756248 /nfs/dbraw/zinc/75/62/48/376756248.db2.gz NDHRGGKRYHWXRJ-UHFFFAOYSA-N 0 3 290.451 3.089 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000153693363 542113318 /nfs/dbraw/zinc/11/33/18/542113318.db2.gz ZYGFSTWXNVJVAB-CQSZACIVSA-N 0 3 298.386 3.333 20 30 CGEDHN C#CCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246992098 377134838 /nfs/dbraw/zinc/13/48/38/377134838.db2.gz KFTOPNHXEWJVFD-ZIAGYGMSSA-N 0 3 263.406 3.049 20 30 CGEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000248450529 377321927 /nfs/dbraw/zinc/32/19/27/377321927.db2.gz YBIFWPZEGCXGKC-COXVUDFISA-N 0 3 297.402 3.007 20 30 CGEDHN N#CC(C(=O)c1ccc(C2CCC2)cc1)c1ccncn1 ZINC000562316871 377294424 /nfs/dbraw/zinc/29/44/24/377294424.db2.gz IMYHHPXTHNHVQV-HNNXBMFYSA-N 0 3 277.327 3.234 20 30 CGEDHN Cc1cc(C)c(C#N)c(SCCN2CCC(C)CC2)n1 ZINC000340873321 377299911 /nfs/dbraw/zinc/29/99/11/377299911.db2.gz DCWULRNQIGTRGJ-UHFFFAOYSA-N 0 3 289.448 3.394 20 30 CGEDHN CC(C)CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000563215058 377422055 /nfs/dbraw/zinc/42/20/55/377422055.db2.gz IDWSUZNMGLYUEE-UHFFFAOYSA-N 0 3 275.352 3.333 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000248931543 377430574 /nfs/dbraw/zinc/43/05/74/377430574.db2.gz XVSVVNGNRYLVOY-LZWOXQAQSA-N 0 3 295.390 3.000 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000248800101 377402270 /nfs/dbraw/zinc/40/22/70/377402270.db2.gz JOVBJMINIJTDKI-BHIYHBOVSA-N 0 3 297.446 3.495 20 30 CGEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000341220461 377451543 /nfs/dbraw/zinc/45/15/43/377451543.db2.gz NDVNUVFSPSCSBA-KRWDZBQOSA-N 0 3 293.370 3.238 20 30 CGEDHN N#Cc1csc(CNCc2ccccc2-n2cccn2)c1 ZINC000093492567 249037505 /nfs/dbraw/zinc/03/75/05/249037505.db2.gz NTITZOXLHFNIDE-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H]1CCCC[C@H]1O ZINC000572291400 377547461 /nfs/dbraw/zinc/54/74/61/377547461.db2.gz LWMWXGSUYAUHBG-UKRRQHHQSA-N 0 3 265.422 3.287 20 30 CGEDHN COc1ccc([C@@H](CCC#N)NCC2(OC)CCC2)cc1 ZINC000573669434 377559668 /nfs/dbraw/zinc/55/96/68/377559668.db2.gz ZSNILZPLPYVUBH-MRXNPFEDSA-N 0 3 288.391 3.199 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1 ZINC000573921251 377595653 /nfs/dbraw/zinc/59/56/53/377595653.db2.gz OSUHNLTUKWPNPZ-QGZVFWFLSA-N 0 3 275.392 3.251 20 30 CGEDHN N#CCC[C@H](NC[C@@H]1CCCOC1)c1ccccc1 ZINC000342202589 377633375 /nfs/dbraw/zinc/63/33/75/377633375.db2.gz KGFJADXJJUFNRR-HOCLYGCPSA-N 0 3 258.365 3.048 20 30 CGEDHN CCC(O)(CC)C(C)(C)CNCc1ccc(C#N)c(F)c1 ZINC000574292866 377645157 /nfs/dbraw/zinc/64/51/57/377645157.db2.gz UQRWCIOHDZRVTE-UHFFFAOYSA-N 0 3 292.398 3.364 20 30 CGEDHN CCCN(CCN1CCCC1)c1ccc(F)cc1C#N ZINC000343266481 377942560 /nfs/dbraw/zinc/94/25/60/377942560.db2.gz DWKSJNDYIFOEFJ-UHFFFAOYSA-N 0 3 275.371 3.010 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000578196408 378045546 /nfs/dbraw/zinc/04/55/46/378045546.db2.gz GMQNIZJEQYPIDL-NSHDSACASA-N 0 3 273.336 3.135 20 30 CGEDHN C=CCOc1ccccc1CN1CCCO[C@@H](CC)C1 ZINC000343688301 378066792 /nfs/dbraw/zinc/06/67/92/378066792.db2.gz ZAXRWSZEZKMDGC-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](c1ncccc1C)C(C)C ZINC000268526903 378070499 /nfs/dbraw/zinc/07/04/99/378070499.db2.gz HJXKQPZQMDUHAB-LSDHHAIUSA-N 0 3 262.397 3.004 20 30 CGEDHN C=C(CNCc1cnn(CCC)c1)c1ccccc1 ZINC000343750194 378082715 /nfs/dbraw/zinc/08/27/15/378082715.db2.gz ATMLJWRBORQVHX-UHFFFAOYSA-N 0 3 255.365 3.096 20 30 CGEDHN CC(C)[C@H]1CN(Cc2ccc(OCC#N)cc2)CCS1 ZINC000266534317 378023391 /nfs/dbraw/zinc/02/33/91/378023391.db2.gz GZDQHLUHENLFCM-MRXNPFEDSA-N 0 3 290.432 3.162 20 30 CGEDHN C=CCC[C@@H](O)CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000578901608 378111570 /nfs/dbraw/zinc/11/15/70/378111570.db2.gz VUEHXZMQIINFFI-OCCSQVGLSA-N 0 3 265.422 3.458 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)[C@@H]1CCC[C@@H]1C ZINC000579727338 378187932 /nfs/dbraw/zinc/18/79/32/378187932.db2.gz GLJUENBOLHDYCG-SWLSCSKDSA-N 0 3 278.421 3.257 20 30 CGEDHN CCO[C@H](CCNCc1ccc(C#N)cc1F)C(C)C ZINC000269411391 378219367 /nfs/dbraw/zinc/21/93/67/378219367.db2.gz JILZRVZPHIQFSV-MRXNPFEDSA-N 0 3 278.371 3.238 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)nc1 ZINC000580213278 378233440 /nfs/dbraw/zinc/23/34/40/378233440.db2.gz LRUHKWVDTXZKKB-OLZOCXBDSA-N 0 3 283.297 3.164 20 30 CGEDHN C#Cc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000269642188 378247742 /nfs/dbraw/zinc/24/77/42/378247742.db2.gz SHLZONMWCNDUIK-QGZVFWFLSA-N 0 3 282.387 3.013 20 30 CGEDHN C[C@H](CCOCc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000582237351 378296049 /nfs/dbraw/zinc/29/60/49/378296049.db2.gz YCGRSIXXGQJLGN-NVXWUHKLSA-N 0 3 285.391 3.015 20 30 CGEDHN COCc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742779 378410686 /nfs/dbraw/zinc/41/06/86/378410686.db2.gz SEPYGQCUGNYJLR-LJQANCHMSA-N 0 3 292.382 3.482 20 30 CGEDHN C#CCCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000270990969 378423686 /nfs/dbraw/zinc/42/36/86/378423686.db2.gz DTLANGPJPYGWSE-HNNXBMFYSA-N 0 3 271.360 3.008 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C(C)(C)C ZINC000271934426 378523088 /nfs/dbraw/zinc/52/30/88/378523088.db2.gz JRNHHJPABGMLKE-XHDPSFHLSA-N 0 3 278.371 3.409 20 30 CGEDHN C=C(C)CN(CC)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637368970 378490494 /nfs/dbraw/zinc/49/04/94/378490494.db2.gz CWLOQVHDFYQVTE-MRXNPFEDSA-N 0 3 293.455 3.001 20 30 CGEDHN Cc1ccc(NC(=O)c2ccc(C#N)s2)c(CN(C)C)c1 ZINC000346776781 378687682 /nfs/dbraw/zinc/68/76/82/378687682.db2.gz LRADWDSBOUVUHW-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCSC2)cc1Cl ZINC000266155257 190235730 /nfs/dbraw/zinc/23/57/30/190235730.db2.gz LPAXOLWHQKEMDM-GFCCVEGCSA-N 0 3 283.824 3.500 20 30 CGEDHN C=C(CNCc1cnn(CC(C)C)c1)c1ccccc1 ZINC000272916513 378720910 /nfs/dbraw/zinc/72/09/10/378720910.db2.gz PIBVJFQXARPPFH-UHFFFAOYSA-N 0 3 269.392 3.342 20 30 CGEDHN C=CCOCCCN[C@H](C)c1ccc(F)cc1F ZINC000348031669 378759594 /nfs/dbraw/zinc/75/95/94/378759594.db2.gz KDOCXBQZYXMQQZ-LLVKDONJSA-N 0 3 255.308 3.208 20 30 CGEDHN Cc1cc(CN2CCSCC[C@H]2C)ccc1C#N ZINC000348189786 378831424 /nfs/dbraw/zinc/83/14/24/378831424.db2.gz XRZRKEJPBRSFFQ-CYBMUJFWSA-N 0 3 260.406 3.194 20 30 CGEDHN CCC(C)(C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000348310175 378899767 /nfs/dbraw/zinc/89/97/67/378899767.db2.gz WBBYUHLDAQWPBK-MRXNPFEDSA-N 0 3 299.418 3.174 20 30 CGEDHN Cc1cccc([C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)c1 ZINC000276787798 378998185 /nfs/dbraw/zinc/99/81/85/378998185.db2.gz RVKAYKLOAYMQPS-KRWDZBQOSA-N 0 3 279.387 3.195 20 30 CGEDHN CCCCN(Cc1ccc(C#N)cc1OC)C1CC1 ZINC000347321843 218191053 /nfs/dbraw/zinc/19/10/53/218191053.db2.gz ZBCWISCHQFHRHD-UHFFFAOYSA-N 0 3 258.365 3.331 20 30 CGEDHN C#CCC(CC#C)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000277531040 379183411 /nfs/dbraw/zinc/18/34/11/379183411.db2.gz UQDIVJVPWFOADL-UHFFFAOYSA-N 0 3 296.414 3.130 20 30 CGEDHN C[C@@H](CCC#N)CN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000639264747 379210652 /nfs/dbraw/zinc/21/06/52/379210652.db2.gz FUQNIOYDJMEDDW-KSSFIOAISA-N 0 3 298.386 3.036 20 30 CGEDHN CC(C)(C)[C@H](CO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000278940782 194222379 /nfs/dbraw/zinc/22/23/79/194222379.db2.gz YBHCQHMFAMUUAN-AWEZNQCLSA-N 0 3 299.336 3.054 20 30 CGEDHN Cc1ccc(OC(F)F)c(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000349802723 379393059 /nfs/dbraw/zinc/39/30/59/379393059.db2.gz OLDDWYLDQOFZFG-YPMHNXCESA-N 0 3 280.318 3.378 20 30 CGEDHN C=C(C)[C@H](NCCc1cnccn1)c1ccc(F)c(F)c1 ZINC000639593750 379498402 /nfs/dbraw/zinc/49/84/02/379498402.db2.gz IASMGYKKCWXGJY-INIZCTEOSA-N 0 3 289.329 3.204 20 30 CGEDHN C=CCN1CCC([NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280085026 379600353 /nfs/dbraw/zinc/60/03/53/379600353.db2.gz LZZRCKRGRKHIFM-QGZVFWFLSA-N 0 3 288.435 3.392 20 30 CGEDHN C=C1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000351697422 379739404 /nfs/dbraw/zinc/73/94/04/379739404.db2.gz WNFHYBRQTNJEFQ-GOSISDBHSA-N 0 3 287.403 3.396 20 30 CGEDHN C=C(C)CCN1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000351719450 379742253 /nfs/dbraw/zinc/74/22/53/379742253.db2.gz MDSFLGNNRJVRCJ-INIZCTEOSA-N 0 3 273.376 3.115 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000280724473 379772955 /nfs/dbraw/zinc/77/29/55/379772955.db2.gz GAXUGRHTRSSXML-HSMVNMDESA-N 0 3 279.355 3.163 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)CC1(C)C ZINC000380384455 379863760 /nfs/dbraw/zinc/86/37/60/379863760.db2.gz PQMVXAYPYDFLNT-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCCCCCn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641043426 379914980 /nfs/dbraw/zinc/91/49/80/379914980.db2.gz AVHLNVNABMDRKQ-CYBMUJFWSA-N 0 3 250.390 3.070 20 30 CGEDHN CCc1ccc(CN2CCC(CCC#N)CC2)nc1 ZINC000399787040 379945619 /nfs/dbraw/zinc/94/56/19/379945619.db2.gz WYXYHQOKXYTJIF-UHFFFAOYSA-N 0 3 257.381 3.160 20 30 CGEDHN C=CCOc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000352912984 380034181 /nfs/dbraw/zinc/03/41/81/380034181.db2.gz GNLFRSLEBVRDCA-UHFFFAOYSA-N 0 3 284.384 3.474 20 30 CGEDHN C[C@@H]1CCC[C@H](CNCc2nc(C#N)cs2)[C@@H]1C ZINC000352945743 380051193 /nfs/dbraw/zinc/05/11/93/380051193.db2.gz POZYXIRWBPEGPO-IJLUTSLNSA-N 0 3 263.410 3.177 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCCOC1 ZINC000352956520 380054452 /nfs/dbraw/zinc/05/44/52/380054452.db2.gz VPINHUBKVMDZED-INIZCTEOSA-N 0 3 291.439 3.269 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C[C@H](NCC(C)(C)CC#N)c1cccc(N2CCCC2=O)c1 ZINC000414163476 380194852 /nfs/dbraw/zinc/19/48/52/380194852.db2.gz ITHLTIAQCXFBTF-AWEZNQCLSA-N 0 3 299.418 3.404 20 30 CGEDHN COCCc1nc(C)c([C@H](C)NCC(C)(C)CC#N)s1 ZINC000414160421 380195108 /nfs/dbraw/zinc/19/51/08/380195108.db2.gz CYJVOGQELYYEBS-NSHDSACASA-N 0 3 295.452 3.231 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc([S@](C)=O)cc1 ZINC000414164818 380196173 /nfs/dbraw/zinc/19/61/73/380196173.db2.gz KSPRULAFXGBRIA-BUXKBTBVSA-N 0 3 278.421 3.014 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCC(C)(C)CC#N ZINC000414167819 380197576 /nfs/dbraw/zinc/19/75/76/380197576.db2.gz PTMUOIBUPMYVQC-UKRRQHHQSA-N 0 3 260.381 3.292 20 30 CGEDHN CN(C)Cc1ccc(NCc2cc(C#N)cs2)c(F)c1 ZINC000414492196 380268951 /nfs/dbraw/zinc/26/89/51/380268951.db2.gz VUZHMVFQYZWARG-UHFFFAOYSA-N 0 3 289.379 3.433 20 30 CGEDHN CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354461127 380448035 /nfs/dbraw/zinc/44/80/35/380448035.db2.gz GTMQXODZOWCILY-CQSZACIVSA-N 0 3 279.343 3.264 20 30 CGEDHN CC(C)(C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354461127 380448043 /nfs/dbraw/zinc/44/80/43/380448043.db2.gz GTMQXODZOWCILY-CQSZACIVSA-N 0 3 279.343 3.264 20 30 CGEDHN C=CCOCCN[C@@H](c1cccnc1)C1CCCCC1 ZINC000645090650 380575437 /nfs/dbraw/zinc/57/54/37/380575437.db2.gz WFUFNHBLHGNSLS-QGZVFWFLSA-N 0 3 274.408 3.495 20 30 CGEDHN CC(C)OC[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418149515 380714348 /nfs/dbraw/zinc/71/43/48/380714348.db2.gz VIUBEETZWVHWEX-CXAGYDPISA-N 0 3 272.392 3.339 20 30 CGEDHN C=CCCCNCc1ccc(OC)c(OC)c1Cl ZINC000279162411 194311896 /nfs/dbraw/zinc/31/18/96/194311896.db2.gz PXLBQGXGXMRWFQ-UHFFFAOYSA-N 0 3 269.772 3.413 20 30 CGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000419371944 380818157 /nfs/dbraw/zinc/81/81/57/380818157.db2.gz LSROQVLTGXQFNC-FRRDWIJNSA-N 0 3 296.374 3.085 20 30 CGEDHN C[C@@](O)(CNCc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000421347750 380888423 /nfs/dbraw/zinc/88/84/23/380888423.db2.gz AODIAGRSTLZRAA-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@H](CC(=O)Nc1ccccc1)NCc1ccc(C#N)s1 ZINC000421355510 380891771 /nfs/dbraw/zinc/89/17/71/380891771.db2.gz UOANNFMQOQEQPU-GFCCVEGCSA-N 0 3 299.399 3.127 20 30 CGEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCCOCC2)cc1 ZINC000358206964 381295947 /nfs/dbraw/zinc/29/59/47/381295947.db2.gz SYDJKEIGUHEHPN-OAHLLOKOSA-N 0 3 297.320 3.216 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000358284135 381299953 /nfs/dbraw/zinc/29/99/53/381299953.db2.gz HIFWGGJECVUYMJ-WDEREUQCSA-N 0 3 253.415 3.352 20 30 CGEDHN C=C(CC)CN1CCN(C2CCC(C)CC2)CC1 ZINC000358515233 381313147 /nfs/dbraw/zinc/31/31/47/381313147.db2.gz XLTYHWYBBDHVSI-UHFFFAOYSA-N 0 3 250.430 3.149 20 30 CGEDHN C=C(CC)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000358626188 381319147 /nfs/dbraw/zinc/31/91/47/381319147.db2.gz PXBVMQTVOFIZRE-UHFFFAOYSA-N 0 3 283.419 3.032 20 30 CGEDHN C=CCC[C@H](O)CN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359653526 381360799 /nfs/dbraw/zinc/36/07/99/381360799.db2.gz WNADTLAQSJVPNG-YCPHGPKFSA-N 0 3 289.419 3.330 20 30 CGEDHN 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CGEDHN CC(C#N)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000335369132 392791312 /nfs/dbraw/zinc/79/13/12/392791312.db2.gz SMOGPCMYIFJCSH-WBMJQRKESA-N 0 3 268.360 3.215 20 30 CGEDHN N#Cc1ccc(C2=CCN(C[C@H]3CCC=CO3)CC2)cc1 ZINC000375721446 392811120 /nfs/dbraw/zinc/81/11/20/392811120.db2.gz VPBVADGHPIXXDR-GOSISDBHSA-N 0 3 280.371 3.340 20 30 CGEDHN CC(C#N)C(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000335730054 392812245 /nfs/dbraw/zinc/81/22/45/392812245.db2.gz YGPDOJJIYPEPSI-MFAVDMRSSA-N 0 3 280.730 3.001 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000336038984 392829774 /nfs/dbraw/zinc/82/97/74/392829774.db2.gz QHLXIKBJHTWFCI-KRWDZBQOSA-N 0 3 270.376 3.058 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)[C@@H]1CCCCO1 ZINC000381731921 392914024 /nfs/dbraw/zinc/91/40/24/392914024.db2.gz XCJMZFNDNYACAT-ZBFHGGJFSA-N 0 3 275.392 3.299 20 30 CGEDHN C[C@@H](N[C@H](C)c1cccs1)C(=O)Nc1cccc(C#N)c1 ZINC000192677119 392857388 /nfs/dbraw/zinc/85/73/88/392857388.db2.gz NVLHQBRHSTUWHS-VXGBXAGGSA-N 0 3 299.399 3.298 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000192798708 392860812 /nfs/dbraw/zinc/86/08/12/392860812.db2.gz YLRQJMDUOFFVMY-GFCCVEGCSA-N 0 3 299.399 3.299 20 30 CGEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)cc1F ZINC000194941274 392946744 /nfs/dbraw/zinc/94/67/44/392946744.db2.gz YDPSLGQJDXZKRO-KRWDZBQOSA-N 0 3 290.382 3.478 20 30 CGEDHN CC(C)[C@H]1CN(CCC2(C#N)CCCCC2)CCN1C ZINC000411632958 392984954 /nfs/dbraw/zinc/98/49/54/392984954.db2.gz NCADUOVULOUDPV-MRXNPFEDSA-N 0 3 277.456 3.123 20 30 CGEDHN C[C@@H](CCC#N)N1CCCN(c2ccccc2F)CC1 ZINC000411720150 392987059 /nfs/dbraw/zinc/98/70/59/392987059.db2.gz GHDQLRBXLHLKRH-AWEZNQCLSA-N 0 3 275.371 3.030 20 30 CGEDHN CN(CCCOc1cccc(C#N)c1)Cc1cccc(O)c1 ZINC000532422410 392993979 /nfs/dbraw/zinc/99/39/79/392993979.db2.gz YRJTTXMGUNFQPW-UHFFFAOYSA-N 0 3 296.370 3.165 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000342829064 393008927 /nfs/dbraw/zinc/00/89/27/393008927.db2.gz ZNLPKWUTVVEKNZ-ROUUACIJSA-N 0 3 287.403 3.395 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000342819100 393009247 /nfs/dbraw/zinc/00/92/47/393009247.db2.gz XRYFNQAVBWIERP-ZWKOTPCHSA-N 0 3 287.403 3.395 20 30 CGEDHN CCOc1cccc2cc([C@H](C)NC(=O)C(C)C#N)oc21 ZINC000345650307 393061860 /nfs/dbraw/zinc/06/18/60/393061860.db2.gz CEKOGNHFWHGJAT-MNOVXSKESA-N 0 3 286.331 3.168 20 30 CGEDHN CCOc1cccc2cc([C@H](C)NC(=O)C(C)C#N)oc21 ZINC000345650308 393061907 /nfs/dbraw/zinc/06/19/07/393061907.db2.gz CEKOGNHFWHGJAT-QWRGUYRKSA-N 0 3 286.331 3.168 20 30 CGEDHN C=CCOc1cccc(CNCC2([C@H](O)C(C)C)CC2)c1 ZINC000345711841 393064821 /nfs/dbraw/zinc/06/48/21/393064821.db2.gz UPADCAGATZABIQ-QGZVFWFLSA-N 0 3 289.419 3.138 20 30 CGEDHN C=CCOc1ccccc1CN(C)CCCn1ccnc1C ZINC000349363030 393146488 /nfs/dbraw/zinc/14/64/88/393146488.db2.gz DPFPFSSVKPODPR-UHFFFAOYSA-N 0 3 299.418 3.278 20 30 CGEDHN N#Cc1csc(CNCC2(c3ccccc3)CCC2)n1 ZINC000352836479 393211051 /nfs/dbraw/zinc/21/10/51/393211051.db2.gz UXAUPZVXTRNALI-UHFFFAOYSA-N 0 3 283.400 3.226 20 30 CGEDHN CO[C@@]1(C)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000279299472 393332078 /nfs/dbraw/zinc/33/20/78/393332078.db2.gz LZRQSYWGZSNHMX-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCCCCN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000649449481 393436474 /nfs/dbraw/zinc/43/64/74/393436474.db2.gz NCPMSXFYTMJXJV-UHFFFAOYSA-N 0 3 288.439 3.078 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)c(C)c1)c1c(C)nn(C)c1C ZINC000488281115 393477835 /nfs/dbraw/zinc/47/78/35/393477835.db2.gz RSBGTQXQZPLEIJ-QGZVFWFLSA-N 0 3 296.418 3.458 20 30 CGEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(C)n1 ZINC000421203485 393596009 /nfs/dbraw/zinc/59/60/09/393596009.db2.gz QENZXXYMGXIIGP-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN N#Cc1cc(F)ccc1CN[C@H]1CC2CCC1CC2 ZINC000433068974 393681039 /nfs/dbraw/zinc/68/10/39/393681039.db2.gz TZQXPEGWZAUYGF-PPUFBPAQSA-N 0 3 258.340 3.366 20 30 CGEDHN COc1ccc(CN2CC3(CCC3)C[C@H]2C)cc1C#N ZINC000433024582 393670444 /nfs/dbraw/zinc/67/04/44/393670444.db2.gz DPKAOQLLTITJGL-CYBMUJFWSA-N 0 3 270.376 3.331 20 30 CGEDHN CCCOCc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442705811 393738438 /nfs/dbraw/zinc/73/84/38/393738438.db2.gz BSHDZMRZFCVEGA-YOEHRIQHSA-N 0 3 272.392 3.395 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C)C[C@H](C)C1 ZINC000443662055 393770479 /nfs/dbraw/zinc/77/04/79/393770479.db2.gz ULZOXDRDJXRGCU-KGLIPLIRSA-N 0 3 272.392 3.435 20 30 CGEDHN Cc1cc(CNCCOc2ccc(F)cc2)ccc1C#N ZINC000443963564 393778194 /nfs/dbraw/zinc/77/81/94/393778194.db2.gz KQJNQUURGBSECU-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN Cc1cc(CNCc2cccc(OCCCC#N)c2)ccn1 ZINC000449405302 393880611 /nfs/dbraw/zinc/88/06/11/393880611.db2.gz YCPKCXLHEJQTKB-UHFFFAOYSA-N 0 3 295.386 3.362 20 30 CGEDHN N#Cc1ccc(CNC2(Cc3ccc(F)cc3)CC2)o1 ZINC000449567587 393907475 /nfs/dbraw/zinc/90/74/75/393907475.db2.gz USLHTGLHEBQETQ-UHFFFAOYSA-N 0 3 270.307 3.155 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](CC(C)C)C1 ZINC000501212133 393848726 /nfs/dbraw/zinc/84/87/26/393848726.db2.gz UZFZIRFINBXPBL-HNNXBMFYSA-N 0 3 272.392 3.435 20 30 CGEDHN COC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000453220621 394210110 /nfs/dbraw/zinc/21/01/10/394210110.db2.gz JDIFQAMNTCLMPK-LBPRGKRZSA-N 0 3 276.355 3.307 20 30 CGEDHN N#Cc1ccc(CNCCC2CC(F)(F)C2)c(F)c1 ZINC000453586499 394251599 /nfs/dbraw/zinc/25/15/99/394251599.db2.gz IBRTTYKNAHCIPF-UHFFFAOYSA-N 0 3 268.282 3.222 20 30 CGEDHN Cc1cc(CNCCOCC2CCCC2)ccc1C#N ZINC000453587809 394251672 /nfs/dbraw/zinc/25/16/72/394251672.db2.gz SMDWCHUIWPJHAZ-UHFFFAOYSA-N 0 3 272.392 3.163 20 30 CGEDHN C[C@H](Cc1ccoc1)NC1(c2cccc(C#N)c2)CC1 ZINC000453172860 394196214 /nfs/dbraw/zinc/19/62/14/394196214.db2.gz LMCQJWKZBOUEMB-CYBMUJFWSA-N 0 3 266.344 3.361 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000456959715 394301264 /nfs/dbraw/zinc/30/12/64/394301264.db2.gz GMNMJNXSQJJXPO-MCIONIFRSA-N 0 3 285.391 3.067 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccsc2Cl)CC1 ZINC000668369742 543008057 /nfs/dbraw/zinc/00/80/57/543008057.db2.gz DDLMMZBPNIERNY-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN COCC#CCN1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000671722793 543180764 /nfs/dbraw/zinc/18/07/64/543180764.db2.gz WQOIXOPFERGYRD-NVXWUHKLSA-N 0 3 257.377 3.109 20 30 CGEDHN C=C(C)CN1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000649781716 397718847 /nfs/dbraw/zinc/71/88/47/397718847.db2.gz YYNNQXPHFDNKRH-JSGCOSHPSA-N 0 3 275.396 3.024 20 30 CGEDHN C=CCC[C@@H](NCCC(=O)N[C@@H](C)CC)c1ccco1 ZINC000286307950 397671525 /nfs/dbraw/zinc/67/15/25/397671525.db2.gz WZUKSANGPBEZOQ-UONOGXRCSA-N 0 3 278.396 3.181 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000677476490 543450526 /nfs/dbraw/zinc/45/05/26/543450526.db2.gz QXPABNSSHJBNHH-OAHLLOKOSA-N 0 3 284.403 3.139 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000678779661 543557438 /nfs/dbraw/zinc/55/74/38/543557438.db2.gz LRQWYOPIDDGCIV-LSDHHAIUSA-N 0 3 267.376 3.325 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000678791806 543559105 /nfs/dbraw/zinc/55/91/05/543559105.db2.gz DUDVRYXITCAVJI-RDTXWAMCSA-N 0 3 282.387 3.336 20 30 CGEDHN COCC#CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000678899458 543570401 /nfs/dbraw/zinc/57/04/01/543570401.db2.gz QCVNABIREKYOGT-DAXOMENPSA-N 0 3 277.795 3.277 20 30 CGEDHN CCO[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000451526755 286216392 /nfs/dbraw/zinc/21/63/92/286216392.db2.gz GXZLHXBJZHNDDU-CKEIUWERSA-N 0 3 272.392 3.366 20 30 CGEDHN CO[C@]1(C)C[C@@H](N(C)Cc2cc(C#N)cs2)C1(C)C ZINC000093871902 165338742 /nfs/dbraw/zinc/33/87/42/165338742.db2.gz RVQHWJHXHUITGZ-UKRRQHHQSA-N 0 3 278.421 3.255 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2cccn2)C1 ZINC000334408477 287130889 /nfs/dbraw/zinc/13/08/89/287130889.db2.gz JCJWAJJRSAEHNX-WMLDXEAASA-N 0 3 280.375 3.153 20 30 CGEDHN N#CCOc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000077012537 177147546 /nfs/dbraw/zinc/14/75/46/177147546.db2.gz ZHLYAQVBSNKDEL-UHFFFAOYSA-N 0 3 278.355 3.147 20 30 CGEDHN C=CC[C@H](CO)NCc1ccccc1OCc1ccccc1 ZINC000680485239 543714690 /nfs/dbraw/zinc/71/46/90/543714690.db2.gz WHKXFLCMVLBPEK-GOSISDBHSA-N 0 3 297.398 3.292 20 30 CGEDHN C=C(C)CCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000681404612 543786572 /nfs/dbraw/zinc/78/65/72/543786572.db2.gz WDLNLFKTIOKAPG-AWEZNQCLSA-N 0 3 287.325 3.469 20 30 CGEDHN C=C(C)CCN1CCN(c2ccccc2F)C[C@@H]1C ZINC000682778460 543867957 /nfs/dbraw/zinc/86/79/57/543867957.db2.gz DESLEUFLFIZZJP-AWEZNQCLSA-N 0 3 262.372 3.302 20 30 CGEDHN CC(C#N)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000736673761 572804935 /nfs/dbraw/zinc/80/49/35/572804935.db2.gz YJQATQYYLDOIQH-JHJVBQTASA-N 0 3 250.386 3.115 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000347129685 226038418 /nfs/dbraw/zinc/03/84/18/226038418.db2.gz HNOGDUCHGRAYNJ-SNVBAGLBSA-N 0 3 296.292 3.013 20 30 CGEDHN Cc1cccc2nc(CN[C@H]3CCC[C@H](C#N)C3)[nH]c21 ZINC000336628797 227220528 /nfs/dbraw/zinc/22/05/28/227220528.db2.gz MZTNNEKPDOQSOC-STQMWFEESA-N 0 3 268.364 3.043 20 30 CGEDHN C=CCCCCCN(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659260568 418969038 /nfs/dbraw/zinc/96/90/38/418969038.db2.gz NHNUFNQBBAGXLK-KRWDZBQOSA-N 0 3 286.419 3.426 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000659018285 418957287 /nfs/dbraw/zinc/95/72/87/418957287.db2.gz OPVOBDOOBLSEPL-CQSZACIVSA-N 0 3 299.418 3.152 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000659329870 418976069 /nfs/dbraw/zinc/97/60/69/418976069.db2.gz SICCBBPXLLZLGW-GUYCJALGSA-N 0 3 284.403 3.155 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](CC)c1ccccc1F ZINC000653792756 419086388 /nfs/dbraw/zinc/08/63/88/419086388.db2.gz WNSCXORDYIAIEP-IUODEOHRSA-N 0 3 251.345 3.194 20 30 CGEDHN C=CCN1CCC(Cc2nc(CC)cs2)CC1 ZINC000653803862 419088824 /nfs/dbraw/zinc/08/88/24/419088824.db2.gz XIQLIMRQULGWQH-UHFFFAOYSA-N 0 3 250.411 3.146 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C(C)C ZINC000665390307 419122726 /nfs/dbraw/zinc/12/27/26/419122726.db2.gz AKKGPCXEBJXMBY-HZPDHXFCSA-N 0 3 295.471 3.103 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@@H](N)C(C)C)nn1 ZINC000656457954 419173209 /nfs/dbraw/zinc/17/32/09/419173209.db2.gz UJJJEDYFECRQGI-RDJZCZTQSA-N 0 3 284.407 3.294 20 30 CGEDHN C=CCCn1cc(CNC[C@H](c2ccccc2)C(C)C)nn1 ZINC000657303853 419246507 /nfs/dbraw/zinc/24/65/07/419246507.db2.gz BIGNGTUJBLMJJF-SFHVURJKSA-N 0 3 298.434 3.384 20 30 CGEDHN C=CCCn1cc(CNCCC(C)(C)c2ccccc2)nn1 ZINC000657329884 419252272 /nfs/dbraw/zinc/25/22/72/419252272.db2.gz PAGURGZLVXVSNZ-UHFFFAOYSA-N 0 3 298.434 3.312 20 30 CGEDHN CC#CCN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661428916 419259565 /nfs/dbraw/zinc/25/95/65/419259565.db2.gz VJSALBFYQJJKTL-MRXNPFEDSA-N 0 3 277.795 3.045 20 30 CGEDHN C[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@@H]1CCO ZINC000661493084 419266716 /nfs/dbraw/zinc/26/67/16/419266716.db2.gz NJFHFZVBYPJVRQ-WMLDXEAASA-N 0 3 291.822 3.174 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nccc(OC)c1OC ZINC000661115883 419231785 /nfs/dbraw/zinc/23/17/85/419231785.db2.gz UYMDDHYLONVLST-ZIAGYGMSSA-N 0 3 290.407 3.323 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncnn1CC(C)C ZINC000661116284 419232232 /nfs/dbraw/zinc/23/22/32/419232232.db2.gz XTBVGJRMONXHJC-GJZGRUSLSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCOCCNCc1ccc(-c2scnc2C)cc1 ZINC000657429952 419276816 /nfs/dbraw/zinc/27/68/16/419276816.db2.gz NPCGUTJGACBMCQ-UHFFFAOYSA-N 0 3 288.416 3.411 20 30 CGEDHN CC#CCCN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661659726 419283354 /nfs/dbraw/zinc/28/33/54/419283354.db2.gz LPYGOUVPQCAGOS-OAHLLOKOSA-N 0 3 261.340 3.385 20 30 CGEDHN C=CCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)(C)C ZINC000661755921 419295371 /nfs/dbraw/zinc/29/53/71/419295371.db2.gz VFMJDXRYKARFNS-OKILXGFUSA-N 0 3 266.429 3.062 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000657554991 419303088 /nfs/dbraw/zinc/30/30/88/419303088.db2.gz RYEQUFUEKZCXBJ-PWSUYJOCSA-N 0 3 285.313 3.330 20 30 CGEDHN C=CCC1(NCc2nc(-c3ccoc3)no2)CCCC1 ZINC000661848304 419304475 /nfs/dbraw/zinc/30/44/75/419304475.db2.gz KFYVKQSEQNFSOK-UHFFFAOYSA-N 0 3 273.336 3.308 20 30 CGEDHN C=CCC1(NCc2cc(-c3cnn(C)c3)no2)CCCC1 ZINC000661851074 419304794 /nfs/dbraw/zinc/30/47/94/419304794.db2.gz DGYDWPWRTNSWCF-UHFFFAOYSA-N 0 3 286.379 3.054 20 30 CGEDHN C=CCCC1(CNCc2cncnc2OC)CCCC1 ZINC000657567511 419308040 /nfs/dbraw/zinc/30/80/40/419308040.db2.gz RVWYLZJCPQUPHM-UHFFFAOYSA-N 0 3 275.396 3.101 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000662082992 419333381 /nfs/dbraw/zinc/33/33/81/419333381.db2.gz ZCNYDKHBMAVTHS-BQJWPVKWSA-N 0 3 290.451 3.347 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC1CCCCC1 ZINC000662078845 419333538 /nfs/dbraw/zinc/33/35/38/419333538.db2.gz CQTDSGQYXDBDGV-CWRNSKLLSA-N 0 3 276.424 3.007 20 30 CGEDHN CC(C#N)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000336048102 228182417 /nfs/dbraw/zinc/18/24/17/228182417.db2.gz LZLGWVCROGLUGF-LLVKDONJSA-N 0 3 294.757 3.287 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2ccc(F)c(C)c2)nc(C)n1 ZINC000352274224 228212444 /nfs/dbraw/zinc/21/24/44/228212444.db2.gz SEEGJVLUCKGMAZ-ZDUSSCGKSA-N 0 3 283.306 3.031 20 30 CGEDHN C=CCCC(C)(C)NCc1cn2cc(C)ccc2n1 ZINC000657804681 419360779 /nfs/dbraw/zinc/36/07/79/419360779.db2.gz BBDXQOKGRMNTCL-UHFFFAOYSA-N 0 3 257.381 3.477 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncnn1C(C)(C)C ZINC000658004607 419488898 /nfs/dbraw/zinc/48/88/98/419488898.db2.gz RCWHEMLURSDXJG-UONOGXRCSA-N 0 3 276.428 3.258 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1c(CC)nn(C)c1OC ZINC000657908543 419431747 /nfs/dbraw/zinc/43/17/47/419431747.db2.gz IUJQEZWKSNMVCO-XJKSGUPXSA-N 0 3 291.439 3.216 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000662629963 419465710 /nfs/dbraw/zinc/46/57/10/419465710.db2.gz GCPMQZDKWQKCOU-INMHGKMJSA-N 0 3 286.419 3.137 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000658032800 419511486 /nfs/dbraw/zinc/51/14/86/419511486.db2.gz WXMRAXKTQYTHHX-KGLIPLIRSA-N 0 3 297.406 3.091 20 30 CGEDHN C=CCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000037501697 260113534 /nfs/dbraw/zinc/11/35/34/260113534.db2.gz DWMHRDBCVPEWHK-UHFFFAOYSA-N 0 3 278.355 3.413 20 30 CGEDHN CC(C)(C#N)CCCN1CCN(Cc2ccccc2)CC1 ZINC000087608408 260215647 /nfs/dbraw/zinc/21/56/47/260215647.db2.gz PXSXITYTLUWENR-UHFFFAOYSA-N 0 3 285.435 3.134 20 30 CGEDHN CC(C)CCN1Cc2cccc(N[C@@H](C)C#N)c2C1 ZINC000076393643 260293603 /nfs/dbraw/zinc/29/36/03/260293603.db2.gz QGSAFZRDWIRWDV-ZDUSSCGKSA-N 0 3 257.381 3.372 20 30 CGEDHN C[C@H](CNC1CC(C#N)(c2ccccc2)C1)c1nccs1 ZINC000129686486 260388539 /nfs/dbraw/zinc/38/85/39/260388539.db2.gz OQZZBEYJFFVGGN-BZOOQXSSSA-N 0 3 297.427 3.460 20 30 CGEDHN C=CCCC[C@H](C)NCc1c(Br)cnn1C ZINC000336749580 262039772 /nfs/dbraw/zinc/03/97/72/262039772.db2.gz UFGMWNOJXKVTMO-JTQLQIEISA-N 0 3 286.217 3.017 20 30 CGEDHN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185768716 262069550 /nfs/dbraw/zinc/06/95/50/262069550.db2.gz SXXKYZBGCGYBQU-INWMFGNUSA-N 0 3 285.391 3.378 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000185797909 262071540 /nfs/dbraw/zinc/07/15/40/262071540.db2.gz GFHQTAHPFNLXGO-UKRRQHHQSA-N 0 3 298.365 3.183 20 30 CGEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191888225 262196243 /nfs/dbraw/zinc/19/62/43/262196243.db2.gz WLTSRMRCLQIFLF-RCCFBDPRSA-N 0 3 281.403 3.431 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000192740283 262210182 /nfs/dbraw/zinc/21/01/82/262210182.db2.gz ZZSAEGMMVLHHDA-SGMGOOAPSA-N 0 3 273.336 3.328 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC2(c3cccc(F)c3)CC2)C1 ZINC000193092730 262215858 /nfs/dbraw/zinc/21/58/58/262215858.db2.gz YWJIBPMDJGHXNV-WFASDCNBSA-N 0 3 258.340 3.487 20 30 CGEDHN COc1cc(CNCc2ccc(OCC#N)cc2)ccc1C ZINC000194296317 262235753 /nfs/dbraw/zinc/23/57/53/262235753.db2.gz CZUAFOXECSBLBW-UHFFFAOYSA-N 0 3 296.370 3.196 20 30 CGEDHN Cc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000020264500 262244683 /nfs/dbraw/zinc/24/46/83/262244683.db2.gz QWFHVGCGUPTIQD-UHFFFAOYSA-N 0 3 250.345 3.499 20 30 CGEDHN C=C(C)COCCN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000163756351 262331609 /nfs/dbraw/zinc/33/16/09/262331609.db2.gz LDKJDBUXESKJJE-MRXNPFEDSA-N 0 3 263.356 3.459 20 30 CGEDHN C=CCN1CC[C@@H](N(C2CC2)C2CCC(CC)CC2)C1=O ZINC000337146844 262426944 /nfs/dbraw/zinc/42/69/44/262426944.db2.gz YRIXYGCAPUFSOI-VMBOVVBDSA-N 0 3 290.451 3.207 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)[NH2+]Cc1nc(C)ccc1[O-] ZINC000414528818 262983014 /nfs/dbraw/zinc/98/30/14/262983014.db2.gz BIZHZEXRSIGEKP-MRXNPFEDSA-N 0 3 282.387 3.373 20 30 CGEDHN CC(C)COC[C@H](NCCCSCC#N)c1ccco1 ZINC000273224794 263014213 /nfs/dbraw/zinc/01/42/13/263014213.db2.gz BMMQNIFCKFTQPF-AWEZNQCLSA-N 0 3 296.436 3.230 20 30 CGEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cnn(C)c1 ZINC000273382566 263016252 /nfs/dbraw/zinc/01/62/52/263016252.db2.gz NCMILXQLZAKCIC-CYBMUJFWSA-N 0 3 282.391 3.072 20 30 CGEDHN C#CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000278768411 263051036 /nfs/dbraw/zinc/05/10/36/263051036.db2.gz PBCGUUKHIQDKPD-OIISXLGYSA-N 0 3 252.361 3.423 20 30 CGEDHN C[C@@H](c1ccccn1)N(C)CCCC1(C#N)CCOCC1 ZINC000282143065 263074743 /nfs/dbraw/zinc/07/47/43/263074743.db2.gz ZRFKAINNUJZOGR-HNNXBMFYSA-N 0 3 287.407 3.175 20 30 CGEDHN CN(CCc1nc(-c2ccccc2)no1)CCC(C)(C)C#N ZINC000286205020 263097726 /nfs/dbraw/zinc/09/77/26/263097726.db2.gz YBUSCQVEWZZENW-UHFFFAOYSA-N 0 3 298.390 3.151 20 30 CGEDHN CC1(CN2CCN([C@@H](C#N)c3ccccc3)CC2)CCC1 ZINC000340291306 263105235 /nfs/dbraw/zinc/10/52/35/263105235.db2.gz PQHQQQVCRGFFGQ-KRWDZBQOSA-N 0 3 283.419 3.059 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)[C@H]1OCCc2sccc21 ZINC000292368682 263131448 /nfs/dbraw/zinc/13/14/48/263131448.db2.gz ISMFKNDTTNIVPG-BXUZGUMPSA-N 0 3 278.421 3.280 20 30 CGEDHN CC(C)CN(CCOCCC#N)Cc1ccccc1F ZINC000293039318 263137241 /nfs/dbraw/zinc/13/72/41/263137241.db2.gz JORPSMHOAPDYHE-UHFFFAOYSA-N 0 3 278.371 3.214 20 30 CGEDHN C[C@H]1SCCN(CCOCCC#N)[C@@H]1c1ccccc1 ZINC000293027248 263137244 /nfs/dbraw/zinc/13/72/44/263137244.db2.gz ITTBWIIVTJLIGV-ZBFHGGJFSA-N 0 3 290.432 3.095 20 30 CGEDHN N#CCCOCCN1CCCCC[C@H]1c1ccco1 ZINC000293067945 263137785 /nfs/dbraw/zinc/13/77/85/263137785.db2.gz LQCYJDZTZFNEKO-AWEZNQCLSA-N 0 3 262.353 3.127 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](c3ccccc3F)C2)C1 ZINC000293133401 263138062 /nfs/dbraw/zinc/13/80/62/263138062.db2.gz PVLJQYAEVBAYMY-MCIONIFRSA-N 0 3 258.340 3.307 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](Oc3ccc(Cl)cc3)C2)C1 ZINC000293147532 263138303 /nfs/dbraw/zinc/13/83/03/263138303.db2.gz UBRJTOALGSQGPX-IVMMDQJWSA-N 0 3 290.794 3.485 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000293229363 263138641 /nfs/dbraw/zinc/13/86/41/263138641.db2.gz VWOVECYTQBBSMK-IVMMDQJWSA-N 0 3 258.340 3.307 20 30 CGEDHN CN(Cc1ccccc1N1CCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000293355150 263139410 /nfs/dbraw/zinc/13/94/10/263139410.db2.gz DVQKUPMPJHUIGW-RDJZCZTQSA-N 0 3 283.419 3.411 20 30 CGEDHN Cc1cnc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)s1 ZINC000293682090 263146624 /nfs/dbraw/zinc/14/66/24/263146624.db2.gz APGNBRRRWVMVIQ-GXTWGEPZSA-N 0 3 275.421 3.323 20 30 CGEDHN Cc1cnc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)s1 ZINC000293682094 263146833 /nfs/dbraw/zinc/14/68/33/263146833.db2.gz APGNBRRRWVMVIQ-OCCSQVGLSA-N 0 3 275.421 3.323 20 30 CGEDHN Cc1cccc(CC2(O)CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000294179534 263156952 /nfs/dbraw/zinc/15/69/52/263156952.db2.gz QKPKMRXXHKFDSQ-MSOLQXFVSA-N 0 3 298.430 3.057 20 30 CGEDHN Cc1ccc([C@H](C/N=C/c2cccc(O)c2O)N(C)C)cc1 ZINC000299315785 263238873 /nfs/dbraw/zinc/23/88/73/263238873.db2.gz WVKBLYYHJAFCSS-ZVCOJXFSSA-N 0 3 298.386 3.128 20 30 CGEDHN C=CCCCN(C)Cc1ccc(C(F)(F)F)cn1 ZINC000341896217 263366378 /nfs/dbraw/zinc/36/63/78/263366378.db2.gz YMSQJAHXJXOOOW-UHFFFAOYSA-N 0 3 258.287 3.498 20 30 CGEDHN CC(C#N)C(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000342753701 263474228 /nfs/dbraw/zinc/47/42/28/263474228.db2.gz HFKXZMOEZSSNFR-VNHYZAJKSA-N 0 3 256.349 3.146 20 30 CGEDHN COCC1(C#N)CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000342835462 263516302 /nfs/dbraw/zinc/51/63/02/263516302.db2.gz GNBXQQUCZZJSQA-IAGOWNOFSA-N 0 3 284.403 3.042 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000331209814 264162334 /nfs/dbraw/zinc/16/23/34/264162334.db2.gz WYLSICRJGATKIR-PVAVHDDUSA-N 0 3 284.403 3.454 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000424870876 264257707 /nfs/dbraw/zinc/25/77/07/264257707.db2.gz VLJOMSIBFWBBFV-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074445883 264305062 /nfs/dbraw/zinc/30/50/62/264305062.db2.gz HYXSJSRRALTOTO-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCC[C@@H](NCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000180039344 264390071 /nfs/dbraw/zinc/39/00/71/264390071.db2.gz OBMIYDUVJNSZBV-OAHLLOKOSA-N 0 3 299.374 3.219 20 30 CGEDHN C#CCCOc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000285224678 264551824 /nfs/dbraw/zinc/55/18/24/264551824.db2.gz RXGPWBXEWPSXLH-RTBURBONSA-N 0 3 299.414 3.232 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCN(C(=O)OCC)C1)c1ccco1 ZINC000286142428 264576898 /nfs/dbraw/zinc/57/68/98/264576898.db2.gz OKWAEEBHMMECIX-UONOGXRCSA-N 0 3 292.379 3.107 20 30 CGEDHN C#C[C@H](NCc1ccc(OC(F)F)c(OC)c1)C(C)C ZINC000289360570 264720663 /nfs/dbraw/zinc/72/06/63/264720663.db2.gz KJCPDBVWFCVRMU-LBPRGKRZSA-N 0 3 283.318 3.044 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2CN2CCCCC2)s1 ZINC000125868380 270051735 /nfs/dbraw/zinc/05/17/35/270051735.db2.gz ZTKDGGWPWKPASH-AWEZNQCLSA-N 0 3 289.448 3.070 20 30 CGEDHN CC1=C[C@@H](C)C[C@H](CN2CCC(F)(C#N)CC2)C1 ZINC000356305269 266092926 /nfs/dbraw/zinc/09/29/26/266092926.db2.gz PXJDONVFLOZKSV-OCCSQVGLSA-N 0 3 250.361 3.306 20 30 CGEDHN CC(C)C1(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000357208680 266266757 /nfs/dbraw/zinc/26/67/57/266266757.db2.gz VWOQFLHPUIBRPT-HNNXBMFYSA-N 0 3 270.376 3.064 20 30 CGEDHN C=CCN(Cc1ccc2oc(C(=O)OC)cc2c1)C1CC1 ZINC000357555015 266324075 /nfs/dbraw/zinc/32/40/75/266324075.db2.gz RSSZUHFIZGGWDI-UHFFFAOYSA-N 0 3 285.343 3.370 20 30 CGEDHN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000357801171 266366371 /nfs/dbraw/zinc/36/63/71/266366371.db2.gz UAQLDMYSZXFXEY-UONOGXRCSA-N 0 3 288.391 3.071 20 30 CGEDHN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(C#N)cc1F ZINC000528004573 270150404 /nfs/dbraw/zinc/15/04/04/270150404.db2.gz QWMWYYVMBSKTPS-VZAVHYRXSA-N 0 3 276.355 3.160 20 30 CGEDHN C=CCCCCCN1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000369534153 267249136 /nfs/dbraw/zinc/24/91/36/267249136.db2.gz YIMHBZNHNIQYDW-JKSUJKDBSA-N 0 3 267.413 3.003 20 30 CGEDHN C[C@H](CNCC1(C#N)CCC1)c1cc(F)cc(F)c1 ZINC000418144348 267365375 /nfs/dbraw/zinc/36/53/75/267365375.db2.gz SXKKBZIYRRAJOX-LLVKDONJSA-N 0 3 264.319 3.352 20 30 CGEDHN N#CCCCCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120163016 267388554 /nfs/dbraw/zinc/38/85/54/267388554.db2.gz KIGACLJMUPNIEP-OAHLLOKOSA-N 0 3 278.783 3.487 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCNc1ccc(F)cc1C#N ZINC000361023276 274296293 /nfs/dbraw/zinc/29/62/93/274296293.db2.gz UHXTYCZYCYNGGV-BETUJISGSA-N 0 3 275.371 3.372 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(C#N)cc1 ZINC000185198067 275602656 /nfs/dbraw/zinc/60/26/56/275602656.db2.gz UIQVLUJLOABKFQ-IAGOWNOFSA-N 0 3 272.392 3.242 20 30 CGEDHN CC1(C)SC[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353593325 276158131 /nfs/dbraw/zinc/15/81/31/276158131.db2.gz CWFCKUIHKRGDMV-KGLIPLIRSA-N 0 3 258.390 3.029 20 30 CGEDHN CN1CCCC(C)(C)[C@@H]1CNc1cccc(F)c1C#N ZINC000447809616 277040715 /nfs/dbraw/zinc/04/07/15/277040715.db2.gz AYZIFFPJHUTYBC-HNNXBMFYSA-N 0 3 275.371 3.230 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)c1ccccc1OC(F)F ZINC000345824631 288010748 /nfs/dbraw/zinc/01/07/48/288010748.db2.gz ZSWNEOKVDJDLAW-ONGXEEELSA-N 0 3 282.290 3.015 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H]2CCOC2)CC1 ZINC000371755254 278411922 /nfs/dbraw/zinc/41/19/22/278411922.db2.gz XLWBSRUMVHAYAK-KBXCAEBGSA-N 0 3 284.403 3.368 20 30 CGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1c(Cl)cccc1C#N ZINC000343608793 278900802 /nfs/dbraw/zinc/90/08/02/278900802.db2.gz LMPYZFUJHRNYHK-TZMCWYRMSA-N 0 3 289.810 3.275 20 30 CGEDHN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1cccc(C#N)c1 ZINC000360791931 279522786 /nfs/dbraw/zinc/52/27/86/279522786.db2.gz IWMSTIWTHUUIFY-IFXJQAMLSA-N 0 3 291.398 3.396 20 30 CGEDHN Cc1ccccc1[C@H]([C@@H](C)NC[C@@H](C#N)CCC#N)N(C)C ZINC000563003592 327742024 /nfs/dbraw/zinc/74/20/24/327742024.db2.gz UQNVTIGUXKEIMO-NUJGCVRESA-N 0 3 298.434 3.019 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCCOc2ccc(Cl)cc2)C1 ZINC000185754276 327844538 /nfs/dbraw/zinc/84/45/38/327844538.db2.gz FHLPTIFWLFHOER-JSGCOSHPSA-N 0 3 278.783 3.391 20 30 CGEDHN COC[C@@H](NCCCCC#N)c1ccc(Cl)cc1 ZINC000193665732 327881508 /nfs/dbraw/zinc/88/15/08/327881508.db2.gz DNOUHCHMISRRNM-CQSZACIVSA-N 0 3 266.772 3.311 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000264568759 328160510 /nfs/dbraw/zinc/16/05/10/328160510.db2.gz QPKOLKQUSNANHD-KRWDZBQOSA-N 0 3 281.359 3.254 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3c2cccc3F)C1 ZINC000274222066 328209752 /nfs/dbraw/zinc/20/97/52/328209752.db2.gz QBAPUHJRYITVJQ-WQGACYEGSA-N 0 3 258.340 3.485 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000274243305 328210251 /nfs/dbraw/zinc/21/02/51/328210251.db2.gz WVXGUSFGJSZIGK-LSDHHAIUSA-N 0 3 258.365 3.257 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000278527823 328226149 /nfs/dbraw/zinc/22/61/49/328226149.db2.gz DMQREWCPHJNOLC-YOEHRIQHSA-N 0 3 282.387 3.274 20 30 CGEDHN Cc1ccc([C@H](CNc2nc(C)ccc2C#N)N(C)C)cc1 ZINC000160883315 321859450 /nfs/dbraw/zinc/85/94/50/321859450.db2.gz CGNZVQRXIJTDNG-KRWDZBQOSA-N 0 3 294.402 3.285 20 30 CGEDHN COc1ccc(C#N)cc1COc1cc(C)nc(C)c1C ZINC000569624528 322252758 /nfs/dbraw/zinc/25/27/58/322252758.db2.gz ZUGWKYDTSHKOLD-UHFFFAOYSA-N 0 3 282.343 3.466 20 30 CGEDHN N#Cc1ccc(NC(=O)CN2CC[C@@H](C3CCCC3)C2)cc1 ZINC000570074247 322264333 /nfs/dbraw/zinc/26/43/33/322264333.db2.gz GGLDNQGYLMHORT-MRXNPFEDSA-N 0 3 297.402 3.009 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000573492997 322391248 /nfs/dbraw/zinc/39/12/48/322391248.db2.gz ASIGILUCTUDNOD-ZFWWWQNUSA-N 0 3 285.347 3.231 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000281386411 328501023 /nfs/dbraw/zinc/50/10/23/328501023.db2.gz OSGSCFJZZIXCFU-CQSZACIVSA-N 0 3 275.396 3.224 20 30 CGEDHN C#CCCCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000290718421 328530784 /nfs/dbraw/zinc/53/07/84/328530784.db2.gz OKDRIBZOOSGUEF-HNNXBMFYSA-N 0 3 265.784 3.421 20 30 CGEDHN C=CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000292227880 328535829 /nfs/dbraw/zinc/53/58/29/328535829.db2.gz KLAXRWZJCMMYSR-UHFFFAOYSA-N 0 3 290.407 3.168 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000116907778 326796039 /nfs/dbraw/zinc/79/60/39/326796039.db2.gz CVKRFBDNKNZNNE-GDBMZVCRSA-N 0 3 274.408 3.150 20 30 CGEDHN C=C(CC)CN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451337007 331024823 /nfs/dbraw/zinc/02/48/23/331024823.db2.gz WPMPNOCLGWKXGI-AWEZNQCLSA-N 0 3 253.773 3.271 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000558423836 327093379 /nfs/dbraw/zinc/09/33/79/327093379.db2.gz PLUMMAMAUNYVRO-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN CN(CCCCC#N)Cc1ccc(Br)o1 ZINC000102397275 327226786 /nfs/dbraw/zinc/22/67/86/327226786.db2.gz GGQBJCNTWQRXBJ-UHFFFAOYSA-N 0 3 271.158 3.168 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400952 327243529 /nfs/dbraw/zinc/24/35/29/327243529.db2.gz TWQRUXPPLNJNTQ-GOEBONIOSA-N 0 3 295.810 3.120 20 30 CGEDHN C=CCC[C@H](NCCCN1CCCCC1=O)c1ccco1 ZINC000353505062 328854857 /nfs/dbraw/zinc/85/48/57/328854857.db2.gz UPDDMKXYHLWRBR-HNNXBMFYSA-N 0 3 290.407 3.279 20 30 CGEDHN C=CCCCCCNC(=O)Nc1cccc2c1CCNC2 ZINC000582556746 329111429 /nfs/dbraw/zinc/11/14/29/329111429.db2.gz OYAAWKZRXNGZSR-UHFFFAOYSA-N 0 3 287.407 3.200 20 30 CGEDHN CCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177081259 329180255 /nfs/dbraw/zinc/18/02/55/329180255.db2.gz INMRSXXHLXZNKO-UHFFFAOYSA-N 0 3 255.283 3.399 20 30 CGEDHN C=CC[C@H](C)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459402485 329239101 /nfs/dbraw/zinc/23/91/01/329239101.db2.gz AAHWNKKJNRQUQP-JTQLQIEISA-N 0 3 269.772 3.499 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000185811928 329329519 /nfs/dbraw/zinc/32/95/19/329329519.db2.gz YCSLUQSDIMJJDC-SGMGOOAPSA-N 0 3 272.348 3.148 20 30 CGEDHN Cc1cccc2c1OCC[C@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000193349616 329440736 /nfs/dbraw/zinc/44/07/36/329440736.db2.gz AKXFZHZDQULHOP-IJEWVQPXSA-N 0 3 270.376 3.491 20 30 CGEDHN N#CC1(c2ccccc2)CC(NCCc2ccccc2O)C1 ZINC000126579305 329592950 /nfs/dbraw/zinc/59/29/50/329592950.db2.gz TWZGVZWSEUEPIA-UHFFFAOYSA-N 0 3 292.382 3.148 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccoc1C)C(C)C ZINC000046049259 329604014 /nfs/dbraw/zinc/60/40/14/329604014.db2.gz OLLBQPKDPHLEQY-MRXNPFEDSA-N 0 3 290.407 3.016 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000527105200 329695779 /nfs/dbraw/zinc/69/57/79/329695779.db2.gz AKNRQMKZFMJFJB-UHFFFAOYSA-N 0 3 286.404 3.264 20 30 CGEDHN C=CCC(C)(C)CN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000419165567 329710040 /nfs/dbraw/zinc/71/00/40/329710040.db2.gz BXLIKNKXMJDQEV-INIZCTEOSA-N 0 3 286.419 3.198 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H]1CCCC[C@H]1O ZINC000572443842 330085491 /nfs/dbraw/zinc/08/54/91/330085491.db2.gz ICXXAEUHIFGFCB-DLBZAZTESA-N 0 3 259.393 3.226 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccncc1Cl ZINC000421852459 330088111 /nfs/dbraw/zinc/08/81/11/330088111.db2.gz IHHHKUXMKKSOHD-HUBLWGQQSA-N 0 3 280.799 3.367 20 30 CGEDHN Cc1cccc(CN2CCN(CC(C)(C)CCC#N)CC2)c1 ZINC000162730563 330110633 /nfs/dbraw/zinc/11/06/33/330110633.db2.gz BLEUYKVUSFEGEJ-UHFFFAOYSA-N 0 3 299.462 3.443 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3cccc(F)c3)CC2)C1 ZINC000527936606 330298040 /nfs/dbraw/zinc/29/80/40/330298040.db2.gz POQJRVNRLAFTFO-UKRRQHHQSA-N 0 3 288.366 3.361 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1coc(-c2ccccc2)n1 ZINC000424166221 330309238 /nfs/dbraw/zinc/30/92/38/330309238.db2.gz BZCAJFPSQUINQM-HOCLYGCPSA-N 0 3 284.359 3.022 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000424171422 330311386 /nfs/dbraw/zinc/31/13/86/330311386.db2.gz KSDQUBFZLILSCU-DHMWGJHJSA-N 0 3 261.365 3.084 20 30 CGEDHN Cc1cc(F)c(CN[C@H]2CC[C@@H](CC#N)C2)c(F)c1 ZINC000424184075 330320182 /nfs/dbraw/zinc/32/01/82/330320182.db2.gz WZURCQWVZMEKOM-RYUDHWBXSA-N 0 3 264.319 3.445 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(OC(F)(F)F)c2)C1 ZINC000424190161 330322930 /nfs/dbraw/zinc/32/29/30/330322930.db2.gz FOYVCSBPQLHFFM-CMPLNLGQSA-N 0 3 284.281 3.367 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(OC)cc1F ZINC000424290029 330334487 /nfs/dbraw/zinc/33/44/87/330334487.db2.gz ARNACGNSYZWIIV-WQGACYEGSA-N 0 3 279.355 3.076 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)c(F)c(F)c1 ZINC000424327132 330341407 /nfs/dbraw/zinc/34/14/07/330341407.db2.gz MPAKVNCFMGTXGS-WCABBAIRSA-N 0 3 268.282 3.447 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2ccnc2)cc1 ZINC000424337219 330343644 /nfs/dbraw/zinc/34/36/44/330343644.db2.gz ZFIYBUPNOPAUKL-OFQRWUPVSA-N 0 3 280.375 3.215 20 30 CGEDHN C#CCOc1ccc(CNCc2cccs2)cc1 ZINC000045945701 330350041 /nfs/dbraw/zinc/35/00/41/330350041.db2.gz DNFLLVQGVXKOOJ-UHFFFAOYSA-N 0 3 257.358 3.050 20 30 CGEDHN CO[C@H]1CCCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000441231772 330763725 /nfs/dbraw/zinc/76/37/25/330763725.db2.gz NESHRRACRVIJLP-HOTGVXAUSA-N 0 3 277.795 3.239 20 30 CGEDHN C=C(C)COCCNCc1ccc(F)c(Cl)c1 ZINC000160158716 330860053 /nfs/dbraw/zinc/86/00/53/330860053.db2.gz YXSFXZFRXUZGLR-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000447580847 330871225 /nfs/dbraw/zinc/87/12/25/330871225.db2.gz QLOVJRWAHXKIIB-NEPJUHHUSA-N 0 3 265.353 3.462 20 30 CGEDHN C=CCOc1ccc(CNC/C=C\CC)cc1OC ZINC000449461570 330927558 /nfs/dbraw/zinc/92/75/58/330927558.db2.gz TWUZAEDQZJBCNI-SREVYHEPSA-N 0 3 261.365 3.316 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(Cl)c1F ZINC000449545926 330935289 /nfs/dbraw/zinc/93/52/89/330935289.db2.gz AGIQEVGGDMVQMG-OLZOCXBDSA-N 0 3 269.747 3.302 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2ccccc2o1 ZINC000449549559 330935962 /nfs/dbraw/zinc/93/59/62/330935962.db2.gz ZAHLWNUJGCMJCJ-CABCVRRESA-N 0 3 257.333 3.256 20 30 CGEDHN C=CCCCNCc1cc(Cl)cc2c1OCC2 ZINC000379723576 330950943 /nfs/dbraw/zinc/95/09/43/330950943.db2.gz OIKPIBICGUHQOJ-UHFFFAOYSA-N 0 3 251.757 3.331 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCC2)C1(CC)CC ZINC000450759804 330998570 /nfs/dbraw/zinc/99/85/70/330998570.db2.gz PPBYGWFEXDVOBE-ZIAGYGMSSA-N 0 3 264.413 3.254 20 30 CGEDHN C=C(C)CCN[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000453324514 331116942 /nfs/dbraw/zinc/11/69/42/331116942.db2.gz SYIWOGYYEZQSJZ-GFCCVEGCSA-N 0 3 276.380 3.270 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(OC)ccc1OC ZINC000453333671 331118127 /nfs/dbraw/zinc/11/81/27/331118127.db2.gz DFDLXZAMJRKTAZ-MAZHCROVSA-N 0 3 291.391 3.088 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCSc2ccc(F)cc21 ZINC000453340703 331119071 /nfs/dbraw/zinc/11/90/71/331119071.db2.gz CFCHLHVCTDEKHD-MJBXVCDLSA-N 0 3 279.380 3.296 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H]1CCSc2ccc(F)cc21 ZINC000453354326 331121265 /nfs/dbraw/zinc/12/12/65/331121265.db2.gz LLTKQPHOZZFKTG-TZMCWYRMSA-N 0 3 281.396 3.279 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnn(C(C)C)c1C ZINC000453376868 331125103 /nfs/dbraw/zinc/12/51/03/331125103.db2.gz YEQUYWPEZYKDPG-WQVCFCJDSA-N 0 3 277.412 3.157 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](CC)c1cc(C)ccc1OC ZINC000453380290 331125481 /nfs/dbraw/zinc/12/54/81/331125481.db2.gz ZHQWOVYVNNPFBM-HOCLYGCPSA-N 0 3 277.408 3.371 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](CC)c1cc(C)ccc1OC ZINC000453380271 331125614 /nfs/dbraw/zinc/12/56/14/331125614.db2.gz ZHQWOVYVNNPFBM-GDBMZVCRSA-N 0 3 277.408 3.371 20 30 CGEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000456168297 331186084 /nfs/dbraw/zinc/18/60/84/331186084.db2.gz OEWPVRLQWOOBCS-HNNXBMFYSA-N 0 3 284.403 3.454 20 30 CGEDHN C=CCC1(NC(=O)CC2CCN(C)CC2)CCCCC1 ZINC000456364725 331191199 /nfs/dbraw/zinc/19/11/99/331191199.db2.gz JYUKXLWDCMEYFO-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458225126 331245554 /nfs/dbraw/zinc/24/55/54/331245554.db2.gz OTKYFWKPOLYTBC-AWEZNQCLSA-N 0 3 294.464 3.241 20 30 CGEDHN C=CCn1cccc1C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458267591 331246833 /nfs/dbraw/zinc/24/68/33/331246833.db2.gz PQWNRMFGFFIIGH-UHFFFAOYSA-N 0 3 297.402 3.296 20 30 CGEDHN CC(C)(CC#N)CNCc1c[nH]nc1-c1cccs1 ZINC000459661713 331292820 /nfs/dbraw/zinc/29/28/20/331292820.db2.gz BSAYEXWESDAAKE-UHFFFAOYSA-N 0 3 274.393 3.168 20 30 CGEDHN CC(=O)Nc1cccc([C@H](C)NCC(C)(C)CC#N)c1 ZINC000459684329 331294344 /nfs/dbraw/zinc/29/43/44/331294344.db2.gz CCAIINIJJOHMHX-LBPRGKRZSA-N 0 3 273.380 3.235 20 30 CGEDHN CC(C)(CC#N)CNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000459699673 331295025 /nfs/dbraw/zinc/29/50/25/331295025.db2.gz RIMVTQMHUZGDCV-UHFFFAOYSA-N 0 3 286.354 3.245 20 30 CGEDHN CC(C)(CC#N)CNCc1cnn(-c2ccc(F)cc2)c1 ZINC000459703279 331295155 /nfs/dbraw/zinc/29/51/55/331295155.db2.gz VVPATKLLZWBPQE-UHFFFAOYSA-N 0 3 286.354 3.041 20 30 CGEDHN C=CCC[C@H](CC)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462878389 331333757 /nfs/dbraw/zinc/33/37/57/331333757.db2.gz RSCKGOOUQDHHOE-WMZOPIPTSA-N 0 3 288.435 3.410 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2(CC(C)C)CCC2)CC1 ZINC000464982264 331375092 /nfs/dbraw/zinc/37/50/92/331375092.db2.gz JBGQKBXVNMIMHB-UHFFFAOYSA-N 0 3 292.467 3.360 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000465049816 331376958 /nfs/dbraw/zinc/37/69/58/331376958.db2.gz YDBQNLOLUXBTBQ-NSHDSACASA-N 0 3 278.783 3.185 20 30 CGEDHN Cc1cccc([C@@H](NC(=O)C(C)C#N)C(C)(C)C)c1 ZINC000488872628 332030762 /nfs/dbraw/zinc/03/07/62/332030762.db2.gz SGMKQBRUNORPRF-TZMCWYRMSA-N 0 3 258.365 3.358 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc(C)cc1C ZINC000489450394 332053503 /nfs/dbraw/zinc/05/35/03/332053503.db2.gz QCOPFTNSYOCYMR-DLBZAZTESA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1c(C)cccc1C ZINC000489488074 332055618 /nfs/dbraw/zinc/05/56/18/332055618.db2.gz VYZAJRSTVNVRQX-SJORKVTESA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1cc(C)ccc1C ZINC000489489990 332056131 /nfs/dbraw/zinc/05/61/31/332056131.db2.gz BWOXKALOORQCOZ-DLBZAZTESA-N 0 3 289.419 3.084 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000491133956 332154941 /nfs/dbraw/zinc/15/49/41/332154941.db2.gz USAFDMLLZZYZAF-HZPDHXFCSA-N 0 3 286.419 3.150 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000491133954 332154975 /nfs/dbraw/zinc/15/49/75/332154975.db2.gz USAFDMLLZZYZAF-CVEARBPZSA-N 0 3 286.419 3.150 20 30 CGEDHN C#CCN[C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000491618455 332244978 /nfs/dbraw/zinc/24/49/78/332244978.db2.gz LISPGCHJWFPGIM-CYBMUJFWSA-N 0 3 271.282 3.006 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000491638560 332259046 /nfs/dbraw/zinc/25/90/46/332259046.db2.gz VVXRMUPEWVSOBM-HNNXBMFYSA-N 0 3 280.371 3.114 20 30 CGEDHN C#C[C@H](N[C@@H](C)CCOC)c1ccc(Cl)cc1 ZINC000491752853 332328581 /nfs/dbraw/zinc/32/85/81/332328581.db2.gz NAHAWXNBCXKMKE-FZMZJTMJSA-N 0 3 251.757 3.029 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C)cc1OC ZINC000575757424 335112625 /nfs/dbraw/zinc/11/26/25/335112625.db2.gz ARWLMJLNCHZGKZ-IMJJTQAJSA-N 0 3 275.392 3.388 20 30 CGEDHN CC#CCCNCc1cccc(OCC(F)(F)F)c1 ZINC000499208406 332582441 /nfs/dbraw/zinc/58/24/41/332582441.db2.gz BGNAXJFGIJUVKM-UHFFFAOYSA-N 0 3 271.282 3.131 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](CO)c1cccc(Cl)c1F ZINC000499939746 332595987 /nfs/dbraw/zinc/59/59/87/332595987.db2.gz NTYFVSNKDZLQNK-GWCFXTLKSA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000516713930 333081394 /nfs/dbraw/zinc/08/13/94/333081394.db2.gz JKVKXCBPPZFTGD-UHFFFAOYSA-N 0 3 292.448 3.252 20 30 CGEDHN N#CCC[C@H](C#N)CNCCc1cccc2ccccc21 ZINC000521091165 333111446 /nfs/dbraw/zinc/11/14/46/333111446.db2.gz VLUAGEMRXVZZDD-OAHLLOKOSA-N 0 3 277.371 3.415 20 30 CGEDHN C=CCOc1ccc(CN[C@H](CO)C/C=C/C)cc1Cl ZINC000185810602 333149495 /nfs/dbraw/zinc/14/94/95/333149495.db2.gz GFBWOPWZQFUBNU-KQIUPUNMSA-N 0 3 295.810 3.322 20 30 CGEDHN COc1ccc([C@@H](C)[C@H](C)NCC2(C#N)CC2)cc1 ZINC000522034567 333230927 /nfs/dbraw/zinc/23/09/27/333230927.db2.gz FDICONMIULXAQX-STQMWFEESA-N 0 3 258.365 3.081 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000193652696 333254815 /nfs/dbraw/zinc/25/48/15/333254815.db2.gz BPJWKCQLUIZWAS-UWWQBHOKSA-N 0 3 288.435 3.396 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc3ncccc3c2)CC1 ZINC000227521163 333284642 /nfs/dbraw/zinc/28/46/42/333284642.db2.gz MHHQNZQRJQBGPF-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000575926859 335132132 /nfs/dbraw/zinc/13/21/32/335132132.db2.gz LHNTUQHIWIXBLD-IAGOWNOFSA-N 0 3 289.806 3.335 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000540488545 333731951 /nfs/dbraw/zinc/73/19/51/333731951.db2.gz BXQAGDOUYUVQBK-GJZGRUSLSA-N 0 3 283.460 3.007 20 30 CGEDHN CC#CCN[C@H](COc1ccccc1F)C(C)(C)C ZINC000540589474 333735751 /nfs/dbraw/zinc/73/57/51/333735751.db2.gz YTSKUDSERNWIPW-OAHLLOKOSA-N 0 3 263.356 3.232 20 30 CGEDHN OC[C@H](NCC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000543840351 333902626 /nfs/dbraw/zinc/90/26/26/333902626.db2.gz RXPFKJRVNBRTJO-KRWDZBQOSA-N 0 3 291.822 3.222 20 30 CGEDHN C=CCC(CC=C)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000132050493 333971215 /nfs/dbraw/zinc/97/12/15/333971215.db2.gz YONMTTNFBGCOPG-QGZVFWFLSA-N 0 3 298.430 3.274 20 30 CGEDHN C=C(C)COCCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000134508799 334092932 /nfs/dbraw/zinc/09/29/32/334092932.db2.gz VRPXSOJLZMYRTR-UHFFFAOYSA-N 0 3 292.379 3.401 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OC3CCCC3)nc2)C1 ZINC000566849341 334666692 /nfs/dbraw/zinc/66/66/92/334666692.db2.gz WDYMSFVDUHFICY-UKRRQHHQSA-N 0 3 285.391 3.185 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000577048265 335289763 /nfs/dbraw/zinc/28/97/63/335289763.db2.gz RQSXVFDWDWHXEW-CZUORRHYSA-N 0 3 297.402 3.207 20 30 CGEDHN C=CCCCCN1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000577340327 335340396 /nfs/dbraw/zinc/34/03/96/335340396.db2.gz YPSVWHUWRYGLEV-JKSUJKDBSA-N 0 3 266.429 3.064 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000177709084 335380406 /nfs/dbraw/zinc/38/04/06/335380406.db2.gz CLUBMLGVWGTAGS-CVEARBPZSA-N 0 3 284.384 3.240 20 30 CGEDHN COc1cc(CNCCOc2ccc(C#N)cc2)ccc1C ZINC000194340056 336017778 /nfs/dbraw/zinc/01/77/78/336017778.db2.gz AYDNYUSWTZUNDW-UHFFFAOYSA-N 0 3 296.370 3.044 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000382353758 336086399 /nfs/dbraw/zinc/08/63/99/336086399.db2.gz FBRQSYYDOJWYHX-ZJUUUORDSA-N 0 3 269.186 3.459 20 30 CGEDHN Cc1ccc(C2(CNC(=O)C(C)C#N)CCCC2)c(C)c1 ZINC000581569319 336104527 /nfs/dbraw/zinc/10/45/27/336104527.db2.gz XCFHSIYJZRRWIZ-HNNXBMFYSA-N 0 3 284.403 3.391 20 30 CGEDHN C=CC(C)(C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000384823104 336131857 /nfs/dbraw/zinc/13/18/57/336131857.db2.gz CNXNSJRKEZJKBB-UHFFFAOYSA-N 0 3 252.289 3.036 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000186700370 519107204 /nfs/dbraw/zinc/10/72/04/519107204.db2.gz QWWUUSPWZUKUNO-ZFWWWQNUSA-N 0 3 293.407 3.072 20 30 CGEDHN C=CC[C@H](CO)NCc1cc(C(F)(F)F)ccc1Cl ZINC000184281472 519117484 /nfs/dbraw/zinc/11/74/84/519117484.db2.gz AHGQLGTVQSBWPM-LLVKDONJSA-N 0 3 293.716 3.385 20 30 CGEDHN CN(C)CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000095020301 521808662 /nfs/dbraw/zinc/80/86/62/521808662.db2.gz FSYSPISOUZJRMA-UHFFFAOYSA-N 0 3 274.311 3.231 20 30 CGEDHN N#Cc1c(CN2C[C@H]3CCCC[C@@H]3C2)cn2ccccc12 ZINC000426829599 534762230 /nfs/dbraw/zinc/76/22/30/534762230.db2.gz QEWVUEULBUZQOG-HUUCEWRRSA-N 0 3 279.387 3.433 20 30 CGEDHN C=CCOCCCN(C)Cc1cc(Cl)ccc1OC ZINC000347970155 526747280 /nfs/dbraw/zinc/74/72/80/526747280.db2.gz MBWXBAUWHIJGCV-UHFFFAOYSA-N 0 3 283.799 3.373 20 30 CGEDHN CC(C)(CNCc1nc(C#N)cs1)C1CCCC1 ZINC000352796219 527172702 /nfs/dbraw/zinc/17/27/02/527172702.db2.gz KKPPQJBEPLVBSR-UHFFFAOYSA-N 0 3 263.410 3.321 20 30 CGEDHN C=CCCC[C@H](C)NCc1cc(C(=O)OCC)co1 ZINC000354578787 527296477 /nfs/dbraw/zinc/29/64/77/527296477.db2.gz SJLZWYIBNHKRGJ-LBPRGKRZSA-N 0 3 265.353 3.291 20 30 CGEDHN CC(C)CC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425540510 527811787 /nfs/dbraw/zinc/81/17/87/527811787.db2.gz VOOKSILSJGCVPH-RHSMWYFYSA-N 0 3 274.408 3.348 20 30 CGEDHN CC(C)CN1CCCC[C@H]1CNc1ncc(C#N)cc1F ZINC000413206250 527969133 /nfs/dbraw/zinc/96/91/33/527969133.db2.gz PMFUKMRDQJIEJK-AWEZNQCLSA-N 0 3 290.386 3.015 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)NC1CCCCC1 ZINC000330168012 528418431 /nfs/dbraw/zinc/41/84/31/528418431.db2.gz WEJNNCWMOJTNGX-HOTGVXAUSA-N 0 3 296.455 3.459 20 30 CGEDHN CCCCN(Cc1ccccc1F)C(=O)C(C)C#N ZINC000347079998 528445943 /nfs/dbraw/zinc/44/59/43/528445943.db2.gz WATKOCOWTLTMGI-LBPRGKRZSA-N 0 3 262.328 3.114 20 30 CGEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCC1(C#N)CC1 ZINC000347784480 528491313 /nfs/dbraw/zinc/49/13/13/528491313.db2.gz AIIHTPVRVFVGGZ-OAHLLOKOSA-N 0 3 260.356 3.286 20 30 CGEDHN CCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349797428 528689116 /nfs/dbraw/zinc/68/91/16/528689116.db2.gz CBAQTVCZIHSZDA-UKRRQHHQSA-N 0 3 288.391 3.266 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCO[C@H](C)C1 ZINC000352721378 528750846 /nfs/dbraw/zinc/75/08/46/528750846.db2.gz MEOSZFFOBDLINI-GDBMZVCRSA-N 0 3 266.429 3.453 20 30 CGEDHN CCN1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358570661 529005083 /nfs/dbraw/zinc/00/50/83/529005083.db2.gz NOBSFAZPBQDPIY-DZGCQCFKSA-N 0 3 289.398 3.222 20 30 CGEDHN COc1ccc(C#N)cc1CN[C@H]1CCC12CCCC2 ZINC000451458251 536646527 /nfs/dbraw/zinc/64/65/27/536646527.db2.gz OLVHEGOJEJHZHB-INIZCTEOSA-N 0 3 270.376 3.379 20 30 CGEDHN C=CCN1CC[C@@H](N2CCCC[C@H]2c2ccccc2)C1=O ZINC000337181617 571823208 /nfs/dbraw/zinc/82/32/08/571823208.db2.gz BADIJCYNLCAJFE-DLBZAZTESA-N 0 3 284.403 3.001 20 30 CGEDHN C[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420835 572352882 /nfs/dbraw/zinc/35/28/82/572352882.db2.gz HJPOXRWGCCOIHF-QNSHHTMESA-N 0 3 274.320 3.268 20 30 CGEDHN C[C@@H]1C[C@@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000740885078 572466411 /nfs/dbraw/zinc/46/64/11/572466411.db2.gz YNVIKOZVOUPLNO-VXGBXAGGSA-N 0 3 278.783 3.473 20 30 CGEDHN C=C(C)CN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000741811496 572532091 /nfs/dbraw/zinc/53/20/91/572532091.db2.gz PTZYHILLNMISKM-UHFFFAOYSA-N 0 3 259.393 3.163 20 30 CGEDHN C#CCCCNCc1csc(-c2ccccc2)n1 ZINC000742385113 572574267 /nfs/dbraw/zinc/57/42/67/572574267.db2.gz LLCSZFVERAWYKA-UHFFFAOYSA-N 0 3 256.374 3.313 20 30 CGEDHN C#CCN(CCc1ccc(OC)cc1)CC(C)(C)C ZINC000734486810 572659457 /nfs/dbraw/zinc/65/94/57/572659457.db2.gz JIBJJBMBXHHUCR-UHFFFAOYSA-N 0 3 259.393 3.219 20 30 CGEDHN CN(Cc1cc(Cl)ccc1OCC#N)C1CCC1 ZINC000743852859 572690753 /nfs/dbraw/zinc/69/07/53/572690753.db2.gz JMPLVHFDSDXVKM-UHFFFAOYSA-N 0 3 264.756 3.227 20 30 CGEDHN CCN(Cc1cc(Cl)ccc1OCC#N)CC1CC1 ZINC000735311107 572714549 /nfs/dbraw/zinc/71/45/49/572714549.db2.gz KCTWYDAFMFDTTL-UHFFFAOYSA-N 0 3 278.783 3.474 20 30 CGEDHN CCCCCCCCC(=O)NCCN1CCC[C@@H]1C ZINC000744345917 572745566 /nfs/dbraw/zinc/74/55/66/572745566.db2.gz UMAPIJJYTVFFBY-HNNXBMFYSA-N 0 3 268.445 3.338 20 30 CGEDHN C=CCCCC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000823893982 608311443 /nfs/dbraw/zinc/31/14/43/608311443.db2.gz CXKIDJBTBDEBHS-ZDUSSCGKSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCCC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000823893982 608311444 /nfs/dbraw/zinc/31/14/44/608311444.db2.gz CXKIDJBTBDEBHS-ZDUSSCGKSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894240 608464450 /nfs/dbraw/zinc/46/44/50/608464450.db2.gz LHVQRHRCRTVBQZ-CHWSQXEVSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894240 608464452 /nfs/dbraw/zinc/46/44/52/608464452.db2.gz LHVQRHRCRTVBQZ-CHWSQXEVSA-N 0 3 285.395 3.262 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977449361 613338266 /nfs/dbraw/zinc/33/82/66/613338266.db2.gz JGSCGORYCKQJGZ-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972765358 613342107 /nfs/dbraw/zinc/34/21/07/613342107.db2.gz IZBPCPINXNJTQC-INIZCTEOSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC000972456489 613616967 /nfs/dbraw/zinc/61/69/67/613616967.db2.gz AGMFCVABGHQBKK-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC000972536309 613628742 /nfs/dbraw/zinc/62/87/42/613628742.db2.gz KJVSEDBFIPUVKB-RDJZCZTQSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2C(C)C)C1 ZINC000971644004 613637318 /nfs/dbraw/zinc/63/73/18/613637318.db2.gz CZVRTPGAFYGNLU-HNNXBMFYSA-N 0 3 286.419 3.142 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763072 613746303 /nfs/dbraw/zinc/74/63/03/613746303.db2.gz CDHOZMDZHAGEJK-CRAIPNDOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000944653100 613752483 /nfs/dbraw/zinc/75/24/83/613752483.db2.gz KQTZAMUUEXKPNB-WDEREUQCSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2occc2C(C)C)[C@H](C)C1 ZINC000942577601 613762877 /nfs/dbraw/zinc/76/28/77/613762877.db2.gz MTKGLFDUQHBVHR-UKRRQHHQSA-N 0 3 290.407 3.029 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000940918778 613778901 /nfs/dbraw/zinc/77/89/01/613778901.db2.gz UYPKLIMUNFOTQR-HNNXBMFYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)C[C@H]1C ZINC000948001723 613789330 /nfs/dbraw/zinc/78/93/30/613789330.db2.gz DVKZGPYYRBXOLZ-HIFRSBDPSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000940658987 613799135 /nfs/dbraw/zinc/79/91/35/613799135.db2.gz UGHLALSDNKNLQC-AWEZNQCLSA-N 0 3 292.448 3.073 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CCC1 ZINC000933303333 618197951 /nfs/dbraw/zinc/19/79/51/618197951.db2.gz OLKDIFVRPUBJMF-HNNXBMFYSA-N 0 3 284.403 3.166 20 30 CGEDHN C=CCN(Cc1ccccc1O[C@@H](C)C(=O)OC)C(C)C ZINC000891675822 618245772 /nfs/dbraw/zinc/24/57/72/618245772.db2.gz YJJCIZUVUOFIMX-AWEZNQCLSA-N 0 3 291.391 3.023 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC001022332885 618295581 /nfs/dbraw/zinc/29/55/81/618295581.db2.gz HXTPVUFVVNRPGZ-XQLPTFJDSA-N 0 3 298.858 3.192 20 30 CGEDHN N#Cc1ccccc1CN[C@@H]1CCOC12CCCCC2 ZINC000933869795 618359702 /nfs/dbraw/zinc/35/97/02/618359702.db2.gz FHCWBOCPKMDPMB-MRXNPFEDSA-N 0 3 270.376 3.140 20 30 CGEDHN Fc1ccc(C#CCN[C@H]2CCOC23CCCCC3)cc1 ZINC000933870789 618361020 /nfs/dbraw/zinc/36/10/20/618361020.db2.gz CZYVIQMYNOLLOR-KRWDZBQOSA-N 0 3 287.378 3.259 20 30 CGEDHN CC#CCN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000179499442 618786697 /nfs/dbraw/zinc/78/66/97/618786697.db2.gz CQGVUWMCAUHOSK-JTQLQIEISA-N 0 3 257.255 3.259 20 30 CGEDHN C=C1CCC(C(=O)C(C#N)C(=O)NCCCCCC)CC1 ZINC000892464317 618792257 /nfs/dbraw/zinc/79/22/57/618792257.db2.gz BSJDRWRGKJAUIH-OAHLLOKOSA-N 0 3 290.407 3.138 20 30 CGEDHN CC1(C)CO[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000892553275 618861407 /nfs/dbraw/zinc/86/14/07/618861407.db2.gz LGFVOKLHSZJPMS-NEPJUHHUSA-N 0 3 298.342 3.209 20 30 CGEDHN C#CCN[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000309821505 618965228 /nfs/dbraw/zinc/96/52/28/618965228.db2.gz WLJOPFIPLUQECW-CYBMUJFWSA-N 0 3 278.193 3.295 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925697837 619149980 /nfs/dbraw/zinc/14/99/80/619149980.db2.gz PAPUDYCCCWPHFR-VQIMIIECSA-N 0 3 296.414 3.254 20 30 CGEDHN C=CCOCCNCc1ccc(C(F)F)c(F)c1 ZINC000893475272 619187338 /nfs/dbraw/zinc/18/73/38/619187338.db2.gz MOACQZXRXNBVIL-UHFFFAOYSA-N 0 3 259.271 3.056 20 30 CGEDHN CC(C)Cc1ccc(CNCC2(CC#N)CC2)cn1 ZINC000894197044 619409914 /nfs/dbraw/zinc/40/99/14/619409914.db2.gz ALXCYQODVITOBD-UHFFFAOYSA-N 0 3 257.381 3.064 20 30 CGEDHN C=CCc1cc(OC)cc(CN2CCSC[C@H]2C)c1O ZINC000178893475 619436559 /nfs/dbraw/zinc/43/65/59/619436559.db2.gz LCYWPEQCMIAEJJ-GFCCVEGCSA-N 0 3 293.432 3.067 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@@H](C)c1nnc(C)[nH]1 ZINC000894774537 619627749 /nfs/dbraw/zinc/62/77/49/619627749.db2.gz UOXZLIBYTUHHDQ-RYUDHWBXSA-N 0 3 250.390 3.289 20 30 CGEDHN C[C@H](CCC#N)CN1CCN([C@H](C)c2ccccc2)CC1 ZINC000895551273 619848653 /nfs/dbraw/zinc/84/86/53/619848653.db2.gz HRZGWCDQXUHJKK-IAGOWNOFSA-N 0 3 285.435 3.305 20 30 CGEDHN C=CCC1(O)CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000895835435 619894988 /nfs/dbraw/zinc/89/49/88/619894988.db2.gz GAJMFVBUIHYYEC-UHFFFAOYSA-N 0 3 289.350 3.475 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000840708406 620094439 /nfs/dbraw/zinc/09/44/39/620094439.db2.gz FXAQZPDZQDIHME-YYXRTCSZSA-N 0 3 288.391 3.001 20 30 CGEDHN C#CCC1(NCc2cc(OC)c(O)cc2Cl)CCC1 ZINC000897350976 620222298 /nfs/dbraw/zinc/22/22/98/620222298.db2.gz RNMDFKLSJMYMON-UHFFFAOYSA-N 0 3 279.767 3.090 20 30 CGEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccncc2)c1 ZINC000073012139 625407579 /nfs/dbraw/zinc/40/75/79/625407579.db2.gz JQCHOQJJVVDTOK-INIZCTEOSA-N 0 3 281.359 3.052 20 30 CGEDHN CCS[C@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000067600445 620349710 /nfs/dbraw/zinc/34/97/10/620349710.db2.gz HPCHCKYYHDRZNW-JQWIXIFHSA-N 0 3 282.434 3.406 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2ccc(F)s2)CC1 ZINC000989780275 620525080 /nfs/dbraw/zinc/52/50/80/620525080.db2.gz BLGWPTZHZMHMLO-UHFFFAOYSA-N 0 3 296.411 3.001 20 30 CGEDHN CC(C)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cnn(C)c1 ZINC000927070547 620570563 /nfs/dbraw/zinc/57/05/63/620570563.db2.gz OXAPEBUQZIRTGE-GUYCJALGSA-N 0 3 282.391 3.340 20 30 CGEDHN C=CC(C)(C)NCc1cn(-c2ccccc2)nc1C ZINC000898456761 620589959 /nfs/dbraw/zinc/58/99/59/620589959.db2.gz FZKVASXDXJONBB-UHFFFAOYSA-N 0 3 255.365 3.235 20 30 CGEDHN CCNc1ccccc1CNCc1ccc(OCC#N)cc1 ZINC000902204338 621193629 /nfs/dbraw/zinc/19/36/29/621193629.db2.gz IHJDSINZLRLXTQ-UHFFFAOYSA-N 0 3 295.386 3.311 20 30 CGEDHN CC[C@@H](NCc1cccc(CO)c1)c1cccc(C#N)c1 ZINC000902794000 621449396 /nfs/dbraw/zinc/44/93/96/621449396.db2.gz QJDLAAOQWABABE-GOSISDBHSA-N 0 3 280.371 3.291 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cc(C#N)ccn2)C12CCCC2 ZINC000902826394 621458892 /nfs/dbraw/zinc/45/88/92/621458892.db2.gz UPWVJLNWZCMJRW-XOKHGSTOSA-N 0 3 299.418 3.342 20 30 CGEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)Oc1ccccc1 ZINC000902866619 621473183 /nfs/dbraw/zinc/47/31/83/621473183.db2.gz KBNGWXCSPQQHSF-KBPBESRZSA-N 0 3 281.359 3.071 20 30 CGEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)Oc1ccccc1 ZINC000902866620 621473448 /nfs/dbraw/zinc/47/34/48/621473448.db2.gz KBNGWXCSPQQHSF-KGLIPLIRSA-N 0 3 281.359 3.071 20 30 CGEDHN Cc1csc([C@@H](C)CN[C@@H](C)c2cc(C#N)ccn2)n1 ZINC000902952137 621503818 /nfs/dbraw/zinc/50/38/18/621503818.db2.gz VKNDYQCISUPQOB-JQWIXIFHSA-N 0 3 286.404 3.173 20 30 CGEDHN Cc1ccc(F)c(CCN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000903011454 621533227 /nfs/dbraw/zinc/53/32/27/621533227.db2.gz YALKPTSWUGAYIJ-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN Cc1ccc(C[C@@H](NCC2(C#N)CC2)C2CC2)cc1 ZINC000903106047 621579812 /nfs/dbraw/zinc/57/98/12/621579812.db2.gz LRCCCQKVIHQDRJ-MRXNPFEDSA-N 0 3 254.377 3.210 20 30 CGEDHN CCCCCCCC[C@H](CO)N[C@H]1CCCn2ccnc21 ZINC000903317600 621688250 /nfs/dbraw/zinc/68/82/50/621688250.db2.gz FAKLUIMQQAHRKT-CVEARBPZSA-N 0 3 293.455 3.419 20 30 CGEDHN CCCCCCCC[C@H](CO)N[C@@H]1CCCn2ccnc21 ZINC000903317602 621688863 /nfs/dbraw/zinc/68/88/63/621688863.db2.gz FAKLUIMQQAHRKT-HZPDHXFCSA-N 0 3 293.455 3.419 20 30 CGEDHN C=CCC[C@H](N[C@H]1COC[C@@H]1C1CC1)c1ccco1 ZINC000903438597 621746978 /nfs/dbraw/zinc/74/69/78/621746978.db2.gz VTZHPILWASMOSJ-ILXRZTDVSA-N 0 3 261.365 3.302 20 30 CGEDHN CC(C)COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905080869 622032399 /nfs/dbraw/zinc/03/23/99/622032399.db2.gz MSHSWEXICFUWBA-AZZDOICSSA-N 0 3 297.358 3.154 20 30 CGEDHN CCCc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905084136 622033359 /nfs/dbraw/zinc/03/33/59/622033359.db2.gz HOWHXAUUXCVSCN-RLIURORJSA-N 0 3 267.332 3.072 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCc2cccc3cccc1c32 ZINC000905843762 622119989 /nfs/dbraw/zinc/11/99/89/622119989.db2.gz ISSDAAOATRQHLC-SUMWQHHRSA-N 0 3 294.398 3.107 20 30 CGEDHN N#Cc1cc(-c2cnc([C@H]3CCCN3)nc2)ccc1C1CC1 ZINC000906198260 622195799 /nfs/dbraw/zinc/19/57/99/622195799.db2.gz GBPUJHWYKHQUIT-QGZVFWFLSA-N 0 3 290.370 3.317 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1F ZINC000912292574 622627791 /nfs/dbraw/zinc/62/77/91/622627791.db2.gz FVELFLGPSRZGED-DOMZBBRYSA-N 0 3 278.371 3.029 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccccc1F)C(C)C ZINC000912405459 622646746 /nfs/dbraw/zinc/64/67/46/622646746.db2.gz DAXUCLQVNKKZLQ-INIZCTEOSA-N 0 3 292.398 3.246 20 30 CGEDHN C=CCc1cc(C[N@H+](CC)CC2CC2)c([O-])c(OC)c1 ZINC000164326760 622828135 /nfs/dbraw/zinc/82/81/35/622828135.db2.gz WXASODANDJKJNG-UHFFFAOYSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCc1cc(C[N@@H+](CC)CC2CC2)c([O-])c(OC)c1 ZINC000164326760 622828136 /nfs/dbraw/zinc/82/81/36/622828136.db2.gz WXASODANDJKJNG-UHFFFAOYSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000045796825 622898549 /nfs/dbraw/zinc/89/85/49/622898549.db2.gz XEEXWVWKJUYWDE-GOSISDBHSA-N 0 3 267.372 3.408 20 30 CGEDHN CCCCCCCCCn1cc([C@@H](N)CC)nn1 ZINC000229943204 623181235 /nfs/dbraw/zinc/18/12/35/623181235.db2.gz BTJZNTNJQQUQPG-ZDUSSCGKSA-N 0 3 252.406 3.439 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@H]12 ZINC000992429666 623554699 /nfs/dbraw/zinc/55/46/99/623554699.db2.gz MQVLUYWMXZJLSQ-VDZJLULYSA-N 0 3 298.430 3.089 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)C3CCC=CCC3)CCC[C@@H]12 ZINC000992492832 623601817 /nfs/dbraw/zinc/60/18/17/623601817.db2.gz HYECTCIPIUZTQE-SJLPKXTDSA-N 0 3 288.435 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993080291 623822059 /nfs/dbraw/zinc/82/20/59/623822059.db2.gz NZCYIBQUCAEULG-NVXWUHKLSA-N 0 3 290.451 3.422 20 30 CGEDHN C[C@@H]1N(CCCCC2(C#N)CCC2)CCOC1(C)C ZINC000929840988 623840855 /nfs/dbraw/zinc/84/08/55/623840855.db2.gz JANRSGFZJDVKBJ-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN C[C@H](COc1cccc(F)c1)NCc1csc(C#N)c1 ZINC000921579892 625685254 /nfs/dbraw/zinc/68/52/54/625685254.db2.gz VVCFRKNLZGDRBT-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN CCCCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC000915224011 623921320 /nfs/dbraw/zinc/92/13/20/623921320.db2.gz ZDPNXNRHTJYRPV-QGZVFWFLSA-N 0 3 282.472 3.144 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994251574 624129453 /nfs/dbraw/zinc/12/94/53/624129453.db2.gz NAHVRPLKYGGWMB-QBPKDAKJSA-N 0 3 292.467 3.358 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=Cc2cccc(F)c2)nc(C)n1 ZINC000916879645 624221320 /nfs/dbraw/zinc/22/13/20/624221320.db2.gz CUNUYHBVPDSSTI-IDTUSYRASA-N 0 3 295.317 3.122 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994503111 624244054 /nfs/dbraw/zinc/24/40/54/624244054.db2.gz DTGVWRBSIZKHEM-NWDGAFQWSA-N 0 3 296.411 3.046 20 30 CGEDHN C[C@@H](NN=Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000920385969 624487608 /nfs/dbraw/zinc/48/76/08/624487608.db2.gz MEQGUSWAABQDPG-CQSZACIVSA-N 0 3 267.376 3.437 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2sccc2C)C1 ZINC000998366471 625807203 /nfs/dbraw/zinc/80/72/03/625807203.db2.gz SZOZMEHVWCLFGW-UHFFFAOYSA-N 0 3 298.839 3.002 20 30 CGEDHN Cc1ncsc1CNCc1c(C)cc(C#N)cc1C ZINC000921695920 625847221 /nfs/dbraw/zinc/84/72/21/625847221.db2.gz ZRANXQVLLXRZCX-UHFFFAOYSA-N 0 3 271.389 3.230 20 30 CGEDHN C=CCC[C@H](NCc1cnc2n1CCOC2)c1ccccc1 ZINC000921915896 625928341 /nfs/dbraw/zinc/92/83/41/625928341.db2.gz CMHZDPCYTBBVPV-KRWDZBQOSA-N 0 3 297.402 3.210 20 30 CGEDHN CC[C@@H](COCC(F)(F)F)NCc1csc(C#N)c1 ZINC000922154705 625973837 /nfs/dbraw/zinc/97/38/37/625973837.db2.gz NOTAFHLGIUZMEF-JTQLQIEISA-N 0 3 292.326 3.067 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000922246542 625989375 /nfs/dbraw/zinc/98/93/75/625989375.db2.gz RMRCQGIIZRYQMN-MOPGFXCFSA-N 0 3 292.382 3.443 20 30 CGEDHN Cc1cc(CO)cc(C)c1CNCc1ccc(C#N)s1 ZINC000922559934 626012550 /nfs/dbraw/zinc/01/25/50/626012550.db2.gz DRKLXMQPLWQLHD-UHFFFAOYSA-N 0 3 286.400 3.019 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)CCC)CC1 ZINC001004326943 626037991 /nfs/dbraw/zinc/03/79/91/626037991.db2.gz PKIKMVSPIOBKRE-OAHLLOKOSA-N 0 3 298.858 3.242 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001005384204 626090070 /nfs/dbraw/zinc/09/00/70/626090070.db2.gz YQSVHCMWEPMNII-OAHLLOKOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(CC)s2)CC1 ZINC001005678105 626094989 /nfs/dbraw/zinc/09/49/89/626094989.db2.gz RGKQKGBQUXXKBC-UHFFFAOYSA-N 0 3 292.448 3.033 20 30 CGEDHN C#CCC1(NCc2cc(F)c(F)cc2F)CCC1 ZINC000922998531 626117357 /nfs/dbraw/zinc/11/73/57/626117357.db2.gz WMNADDGYZWIMMT-UHFFFAOYSA-N 0 3 253.267 3.140 20 30 CGEDHN Cc1cc(N)cc(C)c1C=NNCCCOc1ccccc1 ZINC000752732916 626436251 /nfs/dbraw/zinc/43/62/51/626436251.db2.gz FXQWFPFLLJRXSU-UHFFFAOYSA-N 0 3 297.402 3.278 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1nc2ccccc2s1 ZINC000754710325 626583296 /nfs/dbraw/zinc/58/32/96/626583296.db2.gz IMHSUVXJASXOTH-RYUDHWBXSA-N 0 3 276.405 3.274 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccccc1Cl ZINC000755870888 626655586 /nfs/dbraw/zinc/65/55/86/626655586.db2.gz AJXQPVHMMCUUJJ-SNVBAGLBSA-N 0 3 263.772 3.222 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1nccc2sccc21 ZINC000755890587 626655941 /nfs/dbraw/zinc/65/59/41/626655941.db2.gz NHHKZLTUYSSSCE-JTQLQIEISA-N 0 3 286.404 3.178 20 30 CGEDHN Cc1cc(C)cc(N=NC2CN(C3CC3)C[C@H]2C)c1 ZINC000755886094 626656480 /nfs/dbraw/zinc/65/64/80/626656480.db2.gz KBFVHRLCORVLPF-CYBMUJFWSA-N 0 3 257.381 3.185 20 30 CGEDHN CC[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755924689 626661341 /nfs/dbraw/zinc/66/13/41/626661341.db2.gz PDKLVXIQWYSDOE-CQSZACIVSA-N 0 3 280.375 3.111 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000756099494 626677162 /nfs/dbraw/zinc/67/71/62/626677162.db2.gz UXRVBTGYQMLHLV-NSHDSACASA-N 0 3 269.772 3.064 20 30 CGEDHN C=C(C)COCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756761951 626730245 /nfs/dbraw/zinc/73/02/45/626730245.db2.gz VMNDLTMWDYMJKU-AAEUAGOBSA-N 0 3 279.355 3.262 20 30 CGEDHN C=CC[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000758004360 626821027 /nfs/dbraw/zinc/82/10/27/626821027.db2.gz YNBYUJZHCPPGLN-KRWDZBQOSA-N 0 3 283.371 3.086 20 30 CGEDHN CC(=NNC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000758127858 626828888 /nfs/dbraw/zinc/82/88/88/626828888.db2.gz SFFYKEQRSXKMEU-UHFFFAOYSA-N 0 3 257.381 3.153 20 30 CGEDHN CC(C)(C)[C@@H](NCn1cccc(C#N)c1=O)c1ccccc1 ZINC000758202775 626832901 /nfs/dbraw/zinc/83/29/01/626832901.db2.gz ATHYMIIFBMISIA-INIZCTEOSA-N 0 3 295.386 3.054 20 30 CGEDHN COc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1C#N ZINC000758633182 626852055 /nfs/dbraw/zinc/85/20/55/626852055.db2.gz SULUYXQEDCGTSW-SFHVURJKSA-N 0 3 293.370 3.203 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1C#N ZINC000124959407 634536240 /nfs/dbraw/zinc/53/62/40/634536240.db2.gz OEBMPZROIOKQOL-ZDUSSCGKSA-N 0 3 291.354 3.289 20 30 CGEDHN CN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCSC1 ZINC000760886202 627000177 /nfs/dbraw/zinc/00/01/77/627000177.db2.gz MLWDGZSQYWSSTA-ZDUSSCGKSA-N 0 3 296.823 3.180 20 30 CGEDHN Clc1ccc(C=NOCCN2CCCCC2)cc1 ZINC000766683941 627352449 /nfs/dbraw/zinc/35/24/49/627352449.db2.gz IDPHMKQLGXECKP-UHFFFAOYSA-N 0 3 266.772 3.176 20 30 CGEDHN Cc1cncc([C@@H](C)NCc2ccc(C#N)cc2)c1 ZINC000768200666 627468280 /nfs/dbraw/zinc/46/82/80/627468280.db2.gz PYRLYGNIUIVOID-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1 ZINC000769142437 627525526 /nfs/dbraw/zinc/52/55/26/627525526.db2.gz XOOZTLRHJIKBLW-RDBSUJKOSA-N 0 3 290.432 3.303 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(SC(F)F)cc1 ZINC000769954165 627592529 /nfs/dbraw/zinc/59/25/29/627592529.db2.gz SGUBLMZPPLJUMH-SNVBAGLBSA-N 0 3 255.333 3.455 20 30 CGEDHN C=C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000772178713 627771496 /nfs/dbraw/zinc/77/14/96/627771496.db2.gz NXEZYPSNMPXERM-AWEZNQCLSA-N 0 3 251.757 3.025 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(Br)c(C)c1 ZINC000775182551 628069373 /nfs/dbraw/zinc/06/93/73/628069373.db2.gz CEUDRSYEKOLQKK-LLVKDONJSA-N 0 3 266.182 3.211 20 30 CGEDHN N#CCC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000775554337 628106306 /nfs/dbraw/zinc/10/63/06/628106306.db2.gz WZKVJLZETVXHDT-MSOLQXFVSA-N 0 3 298.361 3.494 20 30 CGEDHN CO[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000777013877 628245030 /nfs/dbraw/zinc/24/50/30/628245030.db2.gz XWQAZMOOOUNYKK-KBPBESRZSA-N 0 3 298.308 3.103 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCCC ZINC000778151236 628329113 /nfs/dbraw/zinc/32/91/13/628329113.db2.gz ITQFPECYOHFXPI-UHFFFAOYSA-N 0 3 251.757 3.242 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@@H](C)C1 ZINC000778179216 628332185 /nfs/dbraw/zinc/33/21/85/628332185.db2.gz QKFCFRWVHXWYNU-QWHCGFSZSA-N 0 3 293.794 3.009 20 30 CGEDHN COc1ccc(CNC(C)(C)CC(F)(F)F)cc1C#N ZINC000780586383 628502417 /nfs/dbraw/zinc/50/24/17/628502417.db2.gz AQXHWXQAARHLIQ-UHFFFAOYSA-N 0 3 286.297 3.387 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2ccc(C#N)cn2)c(O)c1C ZINC000783300131 628700765 /nfs/dbraw/zinc/70/07/65/628700765.db2.gz IKFALKZZLLCWRA-CYBMUJFWSA-N 0 3 281.359 3.127 20 30 CGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CCC1=O ZINC000783363322 628705481 /nfs/dbraw/zinc/70/54/81/628705481.db2.gz LMNWYGXUKZTRGF-GRYCIOLGSA-N 0 3 296.326 3.009 20 30 CGEDHN CCCCCCC[C@@H](C)N[C@@H](C)c1ncnn1C ZINC000789594932 629149465 /nfs/dbraw/zinc/14/94/65/629149465.db2.gz QDAHKSWAXPCMHT-OLZOCXBDSA-N 0 3 252.406 3.215 20 30 CGEDHN Cc1cc(C=NNc2nccn2C)c(C)n1-c1ccccc1 ZINC000790301718 629201513 /nfs/dbraw/zinc/20/15/13/629201513.db2.gz IEVOCPFBNBHNBZ-UHFFFAOYSA-N 0 3 293.374 3.274 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCSC2)c([O-])c1 ZINC000790598491 629219851 /nfs/dbraw/zinc/21/98/51/629219851.db2.gz NKMAMDIPDNKUSU-MFVBVHDHSA-N 0 3 292.448 3.410 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CCOC1)c1nccc2ccccc21 ZINC000792100282 629337466 /nfs/dbraw/zinc/33/74/66/629337466.db2.gz DISLNSIUFFDPQA-CZUORRHYSA-N 0 3 294.354 3.228 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000862448044 629381036 /nfs/dbraw/zinc/38/10/36/629381036.db2.gz VTDMVFDTMMVGCD-LBPRGKRZSA-N 0 3 292.304 3.422 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@H](C)c1nnc2n1CCC2 ZINC000793586100 629487322 /nfs/dbraw/zinc/48/73/22/629487322.db2.gz FOIXQGVRULKAPN-ZIAGYGMSSA-N 0 3 276.428 3.400 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@H](C)c1nnc2n1CCC2 ZINC000793586097 629487427 /nfs/dbraw/zinc/48/74/27/629487427.db2.gz FOIXQGVRULKAPN-UONOGXRCSA-N 0 3 276.428 3.400 20 30 CGEDHN Fc1ccc(/C=C/C=NNCCN2CCCCC2)cc1F ZINC000794897296 629596291 /nfs/dbraw/zinc/59/62/91/629596291.db2.gz SFRPKFRQWWTSIP-PAGQKYOFSA-N 0 3 293.361 3.039 20 30 CGEDHN Cc1ccc([C@H](O)[C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000796486606 629789353 /nfs/dbraw/zinc/78/93/53/629789353.db2.gz PKSVZXVGYHLQRN-SCLBCKFNSA-N 0 3 298.361 3.218 20 30 CGEDHN CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(C)cc1[O-] ZINC000797586229 629963686 /nfs/dbraw/zinc/96/36/86/629963686.db2.gz AMAVCMKNGHMXLI-CQSZACIVSA-N 0 3 258.365 3.435 20 30 CGEDHN C=CCCSCCNCc1cnc(Cl)c(F)c1 ZINC000865623179 630230803 /nfs/dbraw/zinc/23/08/03/630230803.db2.gz LMPOAVGKUXETKH-UHFFFAOYSA-N 0 3 274.792 3.273 20 30 CGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000800384673 630270223 /nfs/dbraw/zinc/27/02/23/630270223.db2.gz HXXDQQPFDYRPGE-JSGCOSHPSA-N 0 3 272.348 3.160 20 30 CGEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000800384672 630270401 /nfs/dbraw/zinc/27/04/01/630270401.db2.gz HXXDQQPFDYRPGE-GXTWGEPZSA-N 0 3 272.348 3.160 20 30 CGEDHN COc1ccccc1[C@H]1CCCCN1CCO[C@H](C)C#N ZINC000801919017 630366583 /nfs/dbraw/zinc/36/65/83/630366583.db2.gz FWZUHYWUXLGEAO-GDBMZVCRSA-N 0 3 288.391 3.151 20 30 CGEDHN C#Cc1ccc(CNCc2cccc3c2CCOC3)cc1 ZINC000865724139 630476587 /nfs/dbraw/zinc/47/65/87/630476587.db2.gz IEEFEUFBPVLGEN-UHFFFAOYSA-N 0 3 277.367 3.030 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000809630238 630767485 /nfs/dbraw/zinc/76/74/85/630767485.db2.gz PWVPGAOWSITJCR-LHSJRXKWSA-N 0 3 297.423 3.256 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2cnccc2C)cc1 ZINC000809632140 630769512 /nfs/dbraw/zinc/76/95/12/630769512.db2.gz MJCLBBHOWIYPBP-AWEZNQCLSA-N 0 3 250.345 3.222 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(-c2ccccc2OC)cc1 ZINC000809684162 630779889 /nfs/dbraw/zinc/77/98/89/630779889.db2.gz PUNJGVUMMSSMHW-CQSZACIVSA-N 0 3 265.356 3.474 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000809686570 630782736 /nfs/dbraw/zinc/78/27/36/630782736.db2.gz ZCTODZLNMHQIGG-NSHDSACASA-N 0 3 289.272 3.268 20 30 CGEDHN C=CCCCCCCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000811589553 631087857 /nfs/dbraw/zinc/08/78/57/631087857.db2.gz ARUBHIBQUADSAA-INIZCTEOSA-N 0 3 278.440 3.256 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)CC1(COC)CCC1 ZINC000812823953 631319759 /nfs/dbraw/zinc/31/97/59/631319759.db2.gz BPYUYNVLXNDANQ-UHFFFAOYSA-N 0 3 275.367 3.078 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(Cl)c1C ZINC000876545749 634854004 /nfs/dbraw/zinc/85/40/04/634854004.db2.gz NOQCODQYLRJAHO-JTQLQIEISA-N 0 3 273.163 3.057 20 30 CGEDHN N#CC(C(=O)C=C1CCC1)c1cc(C(F)(F)F)ccn1 ZINC000813212673 631388447 /nfs/dbraw/zinc/38/84/47/631388447.db2.gz FEIAPLWPZORBMA-LLVKDONJSA-N 0 3 280.249 3.387 20 30 CGEDHN COC(=O)/C(C)=C\CN[C@@H](CCCC#N)c1ccccc1 ZINC000814660413 631617941 /nfs/dbraw/zinc/61/79/41/631617941.db2.gz UTOJRJWFVPKUIV-QBOMHBFWSA-N 0 3 286.375 3.130 20 30 CGEDHN C[C@@H](NN=C1CCCc2ccc(N)cc21)C(C)(C)C ZINC000814937634 631691559 /nfs/dbraw/zinc/69/15/59/631691559.db2.gz NNMHMBKGTPBVNO-LLVKDONJSA-N 0 3 259.397 3.333 20 30 CGEDHN CO[C@@H]1CCC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000815915515 631834518 /nfs/dbraw/zinc/83/45/18/631834518.db2.gz QWCLUHZUMRKDDP-YNEHKIRRSA-N 0 3 298.342 3.209 20 30 CGEDHN Nc1ccc2c(c1)C(=NNC[C@H]1CCSC1)CCCC2 ZINC000817329443 632123627 /nfs/dbraw/zinc/12/36/27/632123627.db2.gz YPNAWOBNMCLJKJ-GFCCVEGCSA-N 0 3 289.448 3.042 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1ccnc(Cl)c1 ZINC000879433777 635787573 /nfs/dbraw/zinc/78/75/73/635787573.db2.gz FLXCQTMCRBHGNO-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000818346866 632311977 /nfs/dbraw/zinc/31/19/77/632311977.db2.gz JBKOEILLFSHCTR-QRTARXTBSA-N 0 3 275.392 3.332 20 30 CGEDHN Cc1csc([C@@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000866615869 633215429 /nfs/dbraw/zinc/21/54/29/633215429.db2.gz JCJIXFHTNQXYFS-IAQYHMDHSA-N 0 3 283.400 3.141 20 30 CGEDHN CC[C@H](N[C@H](C)c1ccnn1C)c1ccc(C#N)cc1 ZINC000866615832 633215543 /nfs/dbraw/zinc/21/55/43/633215543.db2.gz XAEWKUHVHZCWTK-DOMZBBRYSA-N 0 3 268.364 3.094 20 30 CGEDHN C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1[O-] ZINC000866617931 633217332 /nfs/dbraw/zinc/21/73/32/633217332.db2.gz RKSUGYUTPWPYRR-LRDDRELGSA-N 0 3 278.355 3.082 20 30 CGEDHN C#C[C@@H](N[C@@H](C)Cc1ccoc1)c1ccc(F)cc1 ZINC000824423590 633244031 /nfs/dbraw/zinc/24/40/31/633244031.db2.gz QRQUOXJLFDKANE-BLLLJJGKSA-N 0 3 257.308 3.314 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000876561853 634858078 /nfs/dbraw/zinc/85/80/78/634858078.db2.gz MDQOAIDUKGQXRR-HUUCEWRRSA-N 0 3 294.826 3.360 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)[C@H]1CCCC[C@H]1C ZINC000824654463 633269491 /nfs/dbraw/zinc/26/94/91/633269491.db2.gz OLHYQMHTWWOWOI-MDZLAQPJSA-N 0 3 263.410 3.319 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OCCCC ZINC000876578194 634861718 /nfs/dbraw/zinc/86/17/18/634861718.db2.gz FAXZNDCFGZNDJB-GFCCVEGCSA-N 0 3 296.798 3.274 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CCCCC1)C1CC1 ZINC000876607290 634866442 /nfs/dbraw/zinc/86/64/42/634866442.db2.gz RUKQTVJASVMYSQ-CQSZACIVSA-N 0 3 284.831 3.028 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000826861057 633437979 /nfs/dbraw/zinc/43/79/79/633437979.db2.gz AGJXFZMWDYOFGV-CABCVRRESA-N 0 3 283.375 3.103 20 30 CGEDHN C#CCCN(CCOC)Cc1ccc2nc(C)sc2c1 ZINC000827827147 633523085 /nfs/dbraw/zinc/52/30/85/633523085.db2.gz PXXOIFSIHPAABX-UHFFFAOYSA-N 0 3 288.416 3.076 20 30 CGEDHN CCCCCCCN1CCO[C@]2(CCSC2)C1 ZINC000829285187 633720577 /nfs/dbraw/zinc/72/05/77/633720577.db2.gz ANSWTNIPHZLJKW-CQSZACIVSA-N 0 3 257.443 3.165 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccc(OC)c(F)c2)C1 ZINC000829774404 633781097 /nfs/dbraw/zinc/78/10/97/633781097.db2.gz PUQTWWIISKIIQD-CYBMUJFWSA-N 0 3 261.340 3.070 20 30 CGEDHN C#CC[C@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000829784912 633784535 /nfs/dbraw/zinc/78/45/35/633784535.db2.gz OCJZHUJNLHGECI-BBRMVZONSA-N 0 3 277.795 3.109 20 30 CGEDHN C#CC1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000830326445 633850101 /nfs/dbraw/zinc/85/01/01/633850101.db2.gz PDCLZVLCIXAAON-UHFFFAOYSA-N 0 3 275.417 3.262 20 30 CGEDHN C#CC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000830351739 633855420 /nfs/dbraw/zinc/85/54/20/633855420.db2.gz VSUYCCLAEMKLIE-UHFFFAOYSA-N 0 3 255.361 3.073 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1C)C(C)C ZINC000876657828 634877272 /nfs/dbraw/zinc/87/72/72/634877272.db2.gz SHOHYGLEXAQCTK-CABCVRRESA-N 0 3 294.826 3.278 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@@H]1CC(C)C ZINC000876674884 634878505 /nfs/dbraw/zinc/87/85/05/634878505.db2.gz VSJGGWYCOBXCFL-KGLIPLIRSA-N 0 3 286.847 3.274 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)cc(OC)c(C)c1C ZINC000876884232 634920311 /nfs/dbraw/zinc/92/03/11/634920311.db2.gz OPDSWYCGHYYRDH-LBPRGKRZSA-N 0 3 296.798 3.029 20 30 CGEDHN C#CCCCCCCN[C@@H](C)c1nnc2n1CCCCC2 ZINC000876921356 634928483 /nfs/dbraw/zinc/92/84/83/634928483.db2.gz DDNFRYANUBVYIZ-HNNXBMFYSA-N 0 3 288.439 3.239 20 30 CGEDHN CC(C)N1CCCC[C@H]1COC(=O)c1cc(C#N)cs1 ZINC000837565726 634936549 /nfs/dbraw/zinc/93/65/49/634936549.db2.gz IRMCFCWABZVMIB-ZDUSSCGKSA-N 0 3 292.404 3.039 20 30 CGEDHN CC1(NCc2cc(C#N)cnc2Cl)Cc2ccccc2C1 ZINC000877118933 634989563 /nfs/dbraw/zinc/98/95/63/634989563.db2.gz PYEXZIMAZNQPFD-UHFFFAOYSA-N 0 3 297.789 3.254 20 30 CGEDHN C=C(C)CN(C)Cc1cc2c(ccnc2Cl)o1 ZINC000877165632 635004826 /nfs/dbraw/zinc/00/48/26/635004826.db2.gz OKAAUUVORLIQGO-UHFFFAOYSA-N 0 3 250.729 3.489 20 30 CGEDHN C#C[C@H](NCC1CC(OCC)C1)c1ccc(Cl)cc1 ZINC000877541470 635080978 /nfs/dbraw/zinc/08/09/78/635080978.db2.gz OLDJMSJHXSNZER-MOQPWLNLSA-N 0 3 277.795 3.419 20 30 CGEDHN Cc1c(F)nccc1CN(C)CCc1cccc(C#N)c1 ZINC000877704901 635156624 /nfs/dbraw/zinc/15/66/24/635156624.db2.gz PFMXESOJJMNTHG-UHFFFAOYSA-N 0 3 283.350 3.075 20 30 CGEDHN CCc1ncc(CN(C)CCc2cccc(C#N)c2)s1 ZINC000877704859 635156998 /nfs/dbraw/zinc/15/69/98/635156998.db2.gz WUMWSRNIFSTTKG-UHFFFAOYSA-N 0 3 285.416 3.252 20 30 CGEDHN C=CCN(CC[C@H](O)C(C)C)Cc1cccs1 ZINC000877907371 635262239 /nfs/dbraw/zinc/26/22/39/635262239.db2.gz YHKLUCKWTDXROK-AWEZNQCLSA-N 0 3 253.411 3.143 20 30 CGEDHN C=CC[C@H](C)N(C)Cc1ccc(Br)o1 ZINC000877918613 635268588 /nfs/dbraw/zinc/26/85/88/635268588.db2.gz UDIBSVQXEYICCB-VIFPVBQESA-N 0 3 258.159 3.439 20 30 CGEDHN N#CC1CCN(C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878016663 635322009 /nfs/dbraw/zinc/32/20/09/635322009.db2.gz QREKHSBSNXVGOC-IRXDYDNUSA-N 0 3 270.376 3.142 20 30 CGEDHN CCCCCCCN[C@@H](c1nccn1C)C(C)(C)CO ZINC000878874258 635647514 /nfs/dbraw/zinc/64/75/14/635647514.db2.gz HBLDMXAIZXMJQV-AWEZNQCLSA-N 0 3 281.444 3.040 20 30 CGEDHN C#CC[C@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000843424452 635668374 /nfs/dbraw/zinc/66/83/74/635668374.db2.gz UPZMAANANHDWJB-AWEZNQCLSA-N 0 3 273.376 3.026 20 30 CGEDHN C#CC[C@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000843424452 635668376 /nfs/dbraw/zinc/66/83/76/635668376.db2.gz UPZMAANANHDWJB-AWEZNQCLSA-N 0 3 273.376 3.026 20 30 CGEDHN C=CCN1CCC(NC(=O)/C=C/C2CCCCCC2)CC1 ZINC000845447219 636036307 /nfs/dbraw/zinc/03/63/07/636036307.db2.gz ACSMWYPCDVQEIB-MDZDMXLPSA-N 0 3 290.451 3.280 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3c2CCC3)cc1 ZINC000845923848 636119367 /nfs/dbraw/zinc/11/93/67/636119367.db2.gz FSUMDKJTEBOFGZ-UHFFFAOYSA-N 0 3 262.356 3.337 20 30 CGEDHN N#CC[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000930216319 636124462 /nfs/dbraw/zinc/12/44/62/636124462.db2.gz DPCXLCLKPVXGFA-HZPDHXFCSA-N 0 3 292.810 3.435 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846106348 636143956 /nfs/dbraw/zinc/14/39/56/636143956.db2.gz AAOPLCQGGMHOMN-MRXNPFEDSA-N 0 3 291.341 3.320 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(C(C)C)nc2C)C1 ZINC000847017242 636311500 /nfs/dbraw/zinc/31/15/00/636311500.db2.gz AHDIBCMVIRMNFI-HNNXBMFYSA-N 0 3 256.393 3.359 20 30 CGEDHN C#CCCCCN[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000130753024 636506152 /nfs/dbraw/zinc/50/61/52/636506152.db2.gz ICSKJBDJUVGKLS-SFHVURJKSA-N 0 3 298.430 3.133 20 30 CGEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1ccc2ccccc2c1 ZINC000848397314 636566722 /nfs/dbraw/zinc/56/67/22/636566722.db2.gz ZIOYDNZBJXMYEW-KRWDZBQOSA-N 0 3 295.386 3.214 20 30 CGEDHN Fc1cccc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848402807 636567387 /nfs/dbraw/zinc/56/73/87/636567387.db2.gz IAESXRLLCZRMDM-HNNXBMFYSA-N 0 3 261.344 3.242 20 30 CGEDHN C=CCCC[C@H](N[C@@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000883203010 636582259 /nfs/dbraw/zinc/58/22/59/636582259.db2.gz QGNMVJDGFUKTRH-HOCLYGCPSA-N 0 3 295.448 3.107 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000848923835 636695287 /nfs/dbraw/zinc/69/52/87/636695287.db2.gz QXZRQEMYCJRFDJ-HNNXBMFYSA-N 0 3 287.403 3.328 20 30 CGEDHN C=C(C)C[C@@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000883391599 636735038 /nfs/dbraw/zinc/73/50/38/636735038.db2.gz OAVZUZBWRHISTL-DZGCQCFKSA-N 0 3 263.381 3.068 20 30 CGEDHN CC(=NN[C@@H]1CCOC(C)(C)C1)c1c(C)cc(N)cc1C ZINC000884452775 637029976 /nfs/dbraw/zinc/02/99/76/637029976.db2.gz XHEIYLMPZQVDMO-OAHLLOKOSA-N 0 3 289.423 3.157 20 30 CGEDHN C[C@H](N[C@@H]1COC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000850460177 637074803 /nfs/dbraw/zinc/07/48/03/637074803.db2.gz SKUZOUSAMUQSOZ-AAEUAGOBSA-N 0 3 274.339 3.060 20 30 CGEDHN Cc1coc(CNCCSCc2ccccc2C#N)c1 ZINC000885905097 637310108 /nfs/dbraw/zinc/31/01/08/637310108.db2.gz HMGLKVOAGLIVJT-UHFFFAOYSA-N 0 3 286.400 3.483 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H](O)CC1(C#N)CCC1 ZINC000885933513 637320115 /nfs/dbraw/zinc/32/01/15/637320115.db2.gz WMLVUCSFYJKECF-CQSZACIVSA-N 0 3 290.432 3.181 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000886046602 637385375 /nfs/dbraw/zinc/38/53/75/637385375.db2.gz JWNGRVAMCKEQTB-OLZOCXBDSA-N 0 3 292.810 3.435 20 30 CGEDHN C=C[C@H](OC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000851451950 637398074 /nfs/dbraw/zinc/39/80/74/637398074.db2.gz NSRPTTLUEVCIDJ-KRWDZBQOSA-N 0 3 285.387 3.331 20 30 CGEDHN C#CCOCCN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000851792195 637505333 /nfs/dbraw/zinc/50/53/33/637505333.db2.gz JMQBHGFNMDOQDS-DZGCQCFKSA-N 0 3 261.365 3.011 20 30 CGEDHN C#CC[C@H]1CCN(Cc2nc3cc(C)ccc3s2)C1 ZINC000886366039 637515783 /nfs/dbraw/zinc/51/57/83/637515783.db2.gz VTPGLYQCLPCWPV-ZDUSSCGKSA-N 0 3 270.401 3.450 20 30 CGEDHN Cc1nc(C2CCN(CC#Cc3ccccc3)CC2)[nH]c1C ZINC000886662562 637639334 /nfs/dbraw/zinc/63/93/34/637639334.db2.gz GTGQMLAHUTVVQP-UHFFFAOYSA-N 0 3 293.414 3.258 20 30 CGEDHN Cc1csc(C[C@@H]2CCCN(CC3(CC#N)CC3)C2)n1 ZINC000886691482 637657262 /nfs/dbraw/zinc/65/72/62/637657262.db2.gz FIBASJWFIUTGAF-AWEZNQCLSA-N 0 3 289.448 3.400 20 30 CGEDHN C=CCC1(O)CCN(Cc2cc3ccccc3o2)CC1 ZINC000886768516 637680974 /nfs/dbraw/zinc/68/09/74/637680974.db2.gz CAGZRRNQNJNVEE-UHFFFAOYSA-N 0 3 271.360 3.336 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886816791 637705016 /nfs/dbraw/zinc/70/50/16/637705016.db2.gz YOXMXMPNSUSHOH-NVXWUHKLSA-N 0 3 289.806 3.192 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000886819622 637705746 /nfs/dbraw/zinc/70/57/46/637705746.db2.gz UVGQVSISIHEQAC-GOEBONIOSA-N 0 3 290.794 3.213 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2Cc3ccccc3OC3(CCC3)C2)C1 ZINC000887150121 637763746 /nfs/dbraw/zinc/76/37/46/637763746.db2.gz YBCRDNDHTOZZIX-GDBMZVCRSA-N 0 3 282.387 3.496 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1cnc(-c2ccccc2)n1 ZINC000853597731 637871636 /nfs/dbraw/zinc/87/16/36/637871636.db2.gz DRGONRLDFMWNGJ-IYBDPMFKSA-N 0 3 280.375 3.086 20 30 CGEDHN C=C1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000887712085 637890464 /nfs/dbraw/zinc/89/04/64/637890464.db2.gz BPBQCQHFTQZNRP-SFHVURJKSA-N 0 3 298.430 3.124 20 30 CGEDHN C[C@@H]1OC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000925490339 638510675 /nfs/dbraw/zinc/51/06/75/638510675.db2.gz SSNMTLOEWYROLV-TYNCELHUSA-N 0 3 297.320 3.070 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1c(C2CCC2)cnn1C ZINC000926709693 638802216 /nfs/dbraw/zinc/80/22/16/638802216.db2.gz DXJBJPAVBSLNHC-GFCCVEGCSA-N 0 3 274.412 3.106 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929164909 638903880 /nfs/dbraw/zinc/90/38/80/638903880.db2.gz PECIUWYISZTVKU-KBPBESRZSA-N 0 3 298.308 3.100 20 30 CGEDHN CCN(C/C(C)=C\C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000929334278 638919430 /nfs/dbraw/zinc/91/94/30/638919430.db2.gz VAUKRIQISZMMHT-ZVHGMHCTSA-N 0 3 286.375 3.060 20 30 CGEDHN CCN(C/C(C)=C/C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000929334275 638919463 /nfs/dbraw/zinc/91/94/63/638919463.db2.gz VAUKRIQISZMMHT-JWAFFJSPSA-N 0 3 286.375 3.060 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1cccnc1 ZINC000930185911 638980795 /nfs/dbraw/zinc/98/07/95/638980795.db2.gz OGLBVHBUSKHDFL-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN C[C@H](NC[C@H](O)CC#N)c1ccc(Oc2ccccc2)cc1 ZINC000930214289 638983468 /nfs/dbraw/zinc/98/34/68/638983468.db2.gz RFZQOKQHXGGHHN-GOEBONIOSA-N 0 3 296.370 3.404 20 30 CGEDHN Cc1cccc([C@@H](C)NCc2cncc(C#N)c2)c1C ZINC000930224762 638984526 /nfs/dbraw/zinc/98/45/26/638984526.db2.gz QRYSKLWRUTVGFI-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN CC(C)C[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930226919 638984627 /nfs/dbraw/zinc/98/46/27/638984627.db2.gz NVXAOVGLLLFNEU-HUUCEWRRSA-N 0 3 280.799 3.291 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@@H](c3ccccc3)C2)c1 ZINC000930565025 639027020 /nfs/dbraw/zinc/02/70/20/639027020.db2.gz RGRXTLFQQDVLME-GOSISDBHSA-N 0 3 277.371 3.333 20 30 CGEDHN N#Cc1cncc(CN2CC[C@@]3(CCc4ccccc43)C2)c1 ZINC000931611787 639179513 /nfs/dbraw/zinc/17/95/13/639179513.db2.gz RHSDJFAEPRDIOZ-IBGZPJMESA-N 0 3 289.382 3.043 20 30 CGEDHN C[C@]1(Cc2cc(Cl)cs2)CCCN1C[C@H](O)CC#N ZINC000932916047 639398726 /nfs/dbraw/zinc/39/87/26/639398726.db2.gz ITAHAGKUALQOLT-TZMCWYRMSA-N 0 3 298.839 3.073 20 30 CGEDHN CN(CCCc1ccncc1)Cc1cc(C#N)cs1 ZINC000933774123 639488940 /nfs/dbraw/zinc/48/89/40/639488940.db2.gz WYUCBKQGMSLNNF-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN CCCCC1(NCc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000934200427 639557039 /nfs/dbraw/zinc/55/70/39/639557039.db2.gz HZMUVKDRNPDZRV-UHFFFAOYSA-N 0 3 273.336 3.279 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cc2ccccc2c(OC)c1 ZINC000934631745 639645044 /nfs/dbraw/zinc/64/50/44/639645044.db2.gz UGKBRTIWFDOTPA-SUMWQHHRSA-N 0 3 285.387 3.436 20 30 CGEDHN C#CCCCCCCN1CCOC[C@@H]1CC1CCOCC1 ZINC000934634277 639646685 /nfs/dbraw/zinc/64/66/85/639646685.db2.gz FIPAOKZOTFXWGC-SFHVURJKSA-N 0 3 293.451 3.088 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000934650992 639650209 /nfs/dbraw/zinc/65/02/09/639650209.db2.gz OTSFDPIJFGDLIV-AWEZNQCLSA-N 0 3 290.407 3.310 20 30 CGEDHN COc1cccc([C@@H](C/N=C/c2ccccc2O)N(C)C)c1 ZINC000078363184 640305755 /nfs/dbraw/zinc/30/57/55/640305755.db2.gz SPRMLQULUBWHDT-MIQLPHMESA-N 0 3 298.386 3.123 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192915981 640418424 /nfs/dbraw/zinc/41/84/24/640418424.db2.gz KZAWYDNVXGFVNX-AWEZNQCLSA-N 0 3 296.370 3.448 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC=CO1 ZINC000193785400 640495614 /nfs/dbraw/zinc/49/56/14/640495614.db2.gz MIQHYEOKPYVZPA-KRWDZBQOSA-N 0 3 273.376 3.376 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246630537 640687390 /nfs/dbraw/zinc/68/73/90/640687390.db2.gz YSSQKDGKWKTESV-RSUWNVLCSA-N 0 3 293.370 3.186 20 30 CGEDHN CC[C@@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)CCS1 ZINC000093502154 640773792 /nfs/dbraw/zinc/77/37/92/640773792.db2.gz KSRJUPBUXZSMQE-XJKSGUPXSA-N 0 3 290.432 3.305 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007459865 640942765 /nfs/dbraw/zinc/94/27/65/640942765.db2.gz PLCDTQRJQBZSHD-MRXNPFEDSA-N 0 3 298.430 3.028 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009321809 640959292 /nfs/dbraw/zinc/95/92/92/640959292.db2.gz ZVLXNZBIGOKLAH-SFHVURJKSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001014549375 640974309 /nfs/dbraw/zinc/97/43/09/640974309.db2.gz LGRGHYZIFFHCFO-NSHDSACASA-N 0 3 298.839 3.090 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CCCC1 ZINC001017525167 641014079 /nfs/dbraw/zinc/01/40/79/641014079.db2.gz DAGRDBPEFCRWGO-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1CC ZINC001017903622 641018481 /nfs/dbraw/zinc/01/84/81/641018481.db2.gz ZAPIFRGFRBOBAO-MWDXBVQZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)CC ZINC001018130398 641020005 /nfs/dbraw/zinc/02/00/05/641020005.db2.gz RYOBIGWBTGNFDZ-HPFXQQBRSA-N 0 3 290.451 3.064 20 30 CGEDHN CCN(CCC#N)c1ccc([C@@H]2CCCCN2CC)cn1 ZINC001165048615 721987592 /nfs/dbraw/zinc/98/75/92/721987592.db2.gz NXZBZNGACRPBPS-INIZCTEOSA-N 0 3 286.423 3.368 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)C(CC)CC ZINC001568551375 961612709 /nfs/dbraw/zinc/61/27/09/961612709.db2.gz AWOVWSBSLOWTIE-AWEZNQCLSA-N 0 3 268.445 3.025 20 30 CGEDHN N#Cc1cnc(-c2ccc(CN3CCCCC3)c(F)c2)nc1 ZINC001250509110 805665443 /nfs/dbraw/zinc/66/54/43/805665443.db2.gz FIUXWOQCNIHOOV-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C(CC(C)C)CC(C)C ZINC001157159123 805786537 /nfs/dbraw/zinc/78/65/37/805786537.db2.gz URKYEBPUJHOUCR-MRXNPFEDSA-N 0 3 294.483 3.155 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N1[C@H](C)CCC[C@H]1C ZINC001157450682 805813119 /nfs/dbraw/zinc/81/31/19/805813119.db2.gz GJJOORFHWONDSF-KFWWJZLASA-N 0 3 266.429 3.240 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC001157470895 805820425 /nfs/dbraw/zinc/82/04/25/805820425.db2.gz VOOSWSWTBWYNTQ-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1CCC(=C)CC1 ZINC001158434427 805955513 /nfs/dbraw/zinc/95/55/13/805955513.db2.gz KYQMVNAEZOTWQX-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCC[C@H]1C(C)=O ZINC001252132747 806017049 /nfs/dbraw/zinc/01/70/49/806017049.db2.gz KROBAWQJSUKTEL-HOTGVXAUSA-N 0 3 269.429 3.151 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1conc1C ZINC001252131493 806018081 /nfs/dbraw/zinc/01/80/81/806018081.db2.gz OWOMRYUJXHWUGK-HNNXBMFYSA-N 0 3 268.401 3.184 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1ccnc(F)c1 ZINC001252139319 806023497 /nfs/dbraw/zinc/02/34/97/806023497.db2.gz JPHYTDGKTVZANO-OAHLLOKOSA-N 0 3 282.403 3.422 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cncc(C#N)c1 ZINC001252138760 806023911 /nfs/dbraw/zinc/02/39/11/806023911.db2.gz DFEDSBPOAXIKIP-KRWDZBQOSA-N 0 3 289.423 3.154 20 30 CGEDHN C=CCOC[C@@H](O)CN1CCC[C@H]1c1cccc(Cl)c1 ZINC001252472901 806048907 /nfs/dbraw/zinc/04/89/07/806048907.db2.gz CFQMDVGKZITEOY-HOTGVXAUSA-N 0 3 295.810 3.040 20 30 CGEDHN C=CCC[C@H](O)CNCc1ccc(Cl)cc1Cl ZINC001252613783 806089996 /nfs/dbraw/zinc/08/99/96/806089996.db2.gz AQRFZBYBBFSJOM-LBPRGKRZSA-N 0 3 274.191 3.410 20 30 CGEDHN C=CCC[C@H](O)CNCc1ccc(F)c(Cl)c1F ZINC001252615932 806091294 /nfs/dbraw/zinc/09/12/94/806091294.db2.gz IPVLJPKZFWWBQT-JTQLQIEISA-N 0 3 275.726 3.035 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1CCN(CC(C)C)CC1 ZINC001253237096 806188791 /nfs/dbraw/zinc/18/87/91/806188791.db2.gz VQJUIYPEFCPHNZ-SFHVURJKSA-N 0 3 296.499 3.148 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cccnc1OC ZINC001253248427 806195695 /nfs/dbraw/zinc/19/56/95/806195695.db2.gz VMAHGQUVJQKKKL-MRXNPFEDSA-N 0 3 292.423 3.067 20 30 CGEDHN C=C[C@@H](O)CNC(C)(C)c1ccc(Cl)cc1Cl ZINC001253605020 806271891 /nfs/dbraw/zinc/27/18/91/806271891.db2.gz ONPJCJKLDWPKSE-SNVBAGLBSA-N 0 3 274.191 3.365 20 30 CGEDHN C=C[C@@H]1C[C@]1(N)C(=O)N(C)CCCCCCCCCC ZINC001161221881 806357715 /nfs/dbraw/zinc/35/77/15/806357715.db2.gz YTEHCMBKANGQSR-NVXWUHKLSA-N 0 3 280.456 3.489 20 30 CGEDHN CC(C)(N[C@@H]1CC[C@H](C#N)C1)c1cc(Cl)ccn1 ZINC001254654691 806475458 /nfs/dbraw/zinc/47/54/58/806475458.db2.gz XIAXRWXWVPVCLO-CMPLNLGQSA-N 0 3 263.772 3.252 20 30 CGEDHN N#C[C@H]1CC[C@H](N[C@@H](CO)c2ccc(Cl)c(Cl)c2)C1 ZINC001254653463 806475516 /nfs/dbraw/zinc/47/55/16/806475516.db2.gz NXFQHYQXNHELFA-CHIMOYNISA-N 0 3 299.201 3.309 20 30 CGEDHN Cc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)C2CC2)nc1 ZINC001254656381 806476452 /nfs/dbraw/zinc/47/64/52/806476452.db2.gz JMBKFCLZTBICAZ-DUVNUKRYSA-N 0 3 255.365 3.123 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCSC[C@H]2c2ccccc2)C1 ZINC001254669871 806479512 /nfs/dbraw/zinc/47/95/12/806479512.db2.gz WMEDPKHNYFMIDL-KBMXLJTQSA-N 0 3 272.417 3.469 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001255152520 806554808 /nfs/dbraw/zinc/55/48/08/806554808.db2.gz VXUZWVLUKQYUKX-MCIONIFRSA-N 0 3 295.427 3.104 20 30 CGEDHN CN1CCCC[C@H]1c1ccc(NCC2(C#N)CCC2)nc1 ZINC001162413609 806582642 /nfs/dbraw/zinc/58/26/42/806582642.db2.gz ZDPLJRXVUWAGFZ-HNNXBMFYSA-N 0 3 284.407 3.344 20 30 CGEDHN CCOC(=O)C1(C#N)CCN(C2CCC(C)(C)CC2)CC1 ZINC001255308613 806603356 /nfs/dbraw/zinc/60/33/56/806603356.db2.gz WWNBKTLEACWZNI-UHFFFAOYSA-N 0 3 292.423 3.124 20 30 CGEDHN CCOC(=O)[C@@H]1CCC[C@@H](N(CCC#N)C2CCCC2)C1 ZINC001255368588 806626795 /nfs/dbraw/zinc/62/67/95/806626795.db2.gz UPMQWVKWZDCKKL-GDBMZVCRSA-N 0 3 292.423 3.267 20 30 CGEDHN N#CC(C(=O)CCCOc1ccccc1F)c1ccccn1 ZINC000125472188 799001851 /nfs/dbraw/zinc/00/18/51/799001851.db2.gz OSNJBKDBWGPEKG-CYBMUJFWSA-N 0 3 298.317 3.256 20 30 CGEDHN CCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128766247 799019926 /nfs/dbraw/zinc/01/99/26/799019926.db2.gz DGQDHEYINUSUML-AWEZNQCLSA-N 0 3 280.327 3.287 20 30 CGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 ZINC000131465402 799028435 /nfs/dbraw/zinc/02/84/35/799028435.db2.gz WRLFVJWGYUCJHC-ABAIWWIYSA-N 0 3 284.359 3.257 20 30 CGEDHN C=CCNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000156647644 799065920 /nfs/dbraw/zinc/06/59/20/799065920.db2.gz ZILVZJQZBQTWDF-UHFFFAOYSA-N 0 3 288.391 3.260 20 30 CGEDHN Cc1nc2ccc(NCc3ccc(C#N)s3)cc2[nH]1 ZINC000157529941 799069408 /nfs/dbraw/zinc/06/94/08/799069408.db2.gz HNENARFEQOPWLU-UHFFFAOYSA-N 0 3 268.345 3.417 20 30 CGEDHN CN(CC/N=C/c1ccccc1O)Cc1ccc(F)cc1 ZINC000176414461 799096335 /nfs/dbraw/zinc/09/63/35/799096335.db2.gz HHAVDBPVPYHFOH-XDHOZWIPSA-N 0 3 286.350 3.082 20 30 CGEDHN N#CCc1cccc(N[C@H]2CNCc3ccsc32)c1F ZINC001163230236 806730852 /nfs/dbraw/zinc/73/08/52/806730852.db2.gz UGLASJUBZAZHQU-ZDUSSCGKSA-N 0 3 287.363 3.210 20 30 CGEDHN CC[C@@H](CC#N)NC[C@@H](C)COCc1ccccc1 ZINC000390167313 799467756 /nfs/dbraw/zinc/46/77/56/799467756.db2.gz FMZWPGFCIRXSDX-ZBFHGGJFSA-N 0 3 260.381 3.121 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@@H]1CCC2(CCCC2)O1 ZINC000691831496 799788245 /nfs/dbraw/zinc/78/82/45/799788245.db2.gz QDBNFSMEZZAOBP-KRWDZBQOSA-N 0 3 269.388 3.120 20 30 CGEDHN C[C@@H](Cc1ccc(F)cc1)NCc1cc(C#N)co1 ZINC001255865747 806775635 /nfs/dbraw/zinc/77/56/35/806775635.db2.gz GFJVEDPCPUWBFL-NSHDSACASA-N 0 3 258.296 3.011 20 30 CGEDHN CCCCCCCNCc1cn(C(C)(C)C)nn1 ZINC000703761636 799929780 /nfs/dbraw/zinc/92/97/80/799929780.db2.gz PKOZNEIAOFXLFX-UHFFFAOYSA-N 0 3 252.406 3.093 20 30 CGEDHN C=CCCCNCc1nc(C)c(Br)s1 ZINC000719253412 800234062 /nfs/dbraw/zinc/23/40/62/800234062.db2.gz OEKRJZCQLYGBMC-UHFFFAOYSA-N 0 3 275.215 3.270 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(C#N)c2)n1 ZINC000799599367 800395333 /nfs/dbraw/zinc/39/53/33/800395333.db2.gz BOAQKNRBBWTDJD-CYBMUJFWSA-N 0 3 281.340 3.122 20 30 CGEDHN N#Cc1cc(CNCC2(C(F)(F)F)CC2)cs1 ZINC000922123882 800615831 /nfs/dbraw/zinc/61/58/31/800615831.db2.gz QLEFXLLEQOPNHJ-UHFFFAOYSA-N 0 3 260.284 3.052 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745181 800735880 /nfs/dbraw/zinc/73/58/80/800735880.db2.gz PRPCIKYNOIJWLH-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028299104 800840202 /nfs/dbraw/zinc/84/02/02/800840202.db2.gz ZNBLSZJLNZSTGN-QGZVFWFLSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028341151 800845167 /nfs/dbraw/zinc/84/51/67/800845167.db2.gz ZUAYXBDBJPXSNY-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(C)C ZINC001032809523 800935915 /nfs/dbraw/zinc/93/59/15/800935915.db2.gz QKJQXPPKKUOFIK-JYJNAYRXSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033101370 800953233 /nfs/dbraw/zinc/95/32/33/800953233.db2.gz FOJCHBVANFURAU-DLBZAZTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033150737 800953725 /nfs/dbraw/zinc/95/37/25/800953725.db2.gz GYOUTWSYMFIQCX-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=Cc1ccc(C(=O)N(CC)[C@H]2CCN(CC(=C)C)C2)cc1 ZINC001033962288 800993862 /nfs/dbraw/zinc/99/38/62/800993862.db2.gz UQUWBTSTVXGYCK-SFHVURJKSA-N 0 3 298.430 3.442 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001034177595 801008646 /nfs/dbraw/zinc/00/86/46/801008646.db2.gz JGHQUBIXAMDKLO-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034166076 801010020 /nfs/dbraw/zinc/01/00/20/801010020.db2.gz SIQMFCQSNAZAOP-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034496528 801030345 /nfs/dbraw/zinc/03/03/45/801030345.db2.gz JCRZXJRQVUBSIV-ULQDDVLXSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)C(=C)C)CC2 ZINC001035761763 801060795 /nfs/dbraw/zinc/06/07/95/801060795.db2.gz BXOVJUZVYVETGD-UHFFFAOYSA-N 0 3 290.451 3.089 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)C(C)(C)C)CC2 ZINC001035734533 801061104 /nfs/dbraw/zinc/06/11/04/801061104.db2.gz VFZPJAVLUDQJSA-HNNXBMFYSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cscc1Cl ZINC001038379857 801124362 /nfs/dbraw/zinc/12/43/62/801124362.db2.gz MFNGQRODSXRNFX-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038525139 801126751 /nfs/dbraw/zinc/12/67/51/801126751.db2.gz BZULOYUMYLQOBZ-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039044315 801141747 /nfs/dbraw/zinc/14/17/47/801141747.db2.gz YILATOHEKKQBHP-PQUAAJSLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001039426842 801161356 /nfs/dbraw/zinc/16/13/56/801161356.db2.gz UQJCNBBNOJWTNZ-CABCVRRESA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2sccc2CC)CC1 ZINC001045643439 801283641 /nfs/dbraw/zinc/28/36/41/801283641.db2.gz DMSHHWRCVBPCBR-UHFFFAOYSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046789757 801325611 /nfs/dbraw/zinc/32/56/11/801325611.db2.gz USZXDQSFETVAEC-INIZCTEOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419146 801371953 /nfs/dbraw/zinc/37/19/53/801371953.db2.gz MLHLUNKQVWQYFK-HUUCEWRRSA-N 0 3 292.398 3.035 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049860286 801391314 /nfs/dbraw/zinc/39/13/14/801391314.db2.gz RTUKKKSPCSGMNL-NJAFHUGGSA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373647 801531753 /nfs/dbraw/zinc/53/17/53/801531753.db2.gz MLXYXLDEFILOQX-HOCLYGCPSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071391750 801532901 /nfs/dbraw/zinc/53/29/01/801532901.db2.gz MULBESFBUHARQP-HOCLYGCPSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccsc2C)CC[C@@H]1C ZINC001071493308 801539984 /nfs/dbraw/zinc/53/99/84/801539984.db2.gz ACXZQGALWREUAX-JSGCOSHPSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)c3cccc(C(C)C)c3)C2)C1 ZINC001073103863 801576723 /nfs/dbraw/zinc/57/67/23/801576723.db2.gz QLQKGGRYAZVLIT-UHFFFAOYSA-N 0 3 298.430 3.144 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1sccc1C ZINC001085460001 801687075 /nfs/dbraw/zinc/68/70/75/801687075.db2.gz VTJVGVWSELSPTD-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085800885 801705854 /nfs/dbraw/zinc/70/58/54/801705854.db2.gz DVONCWNPEXWVJN-UYSNPLJNSA-N 0 3 296.430 3.014 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001086537050 801730895 /nfs/dbraw/zinc/73/08/95/801730895.db2.gz LOVHALNYGNUWGQ-ZRQDPWPFSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1CC ZINC001087844152 801771366 /nfs/dbraw/zinc/77/13/66/801771366.db2.gz KGSXNOIBIWXDIB-LSDHHAIUSA-N 0 3 290.407 3.172 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2(CC)CC2)C1 ZINC001088376390 801787955 /nfs/dbraw/zinc/78/79/55/801787955.db2.gz FMRPJTACUAGNNG-CQSZACIVSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(C)c2C)[C@H]1C ZINC001088590113 801803878 /nfs/dbraw/zinc/80/38/78/801803878.db2.gz KVZFAINZZGMMAI-DOMZBBRYSA-N 0 3 292.448 3.134 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC001088993021 801815871 /nfs/dbraw/zinc/81/58/71/801815871.db2.gz LTKWFRIWYGSZBJ-VQHPVUNQSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089003300 801817174 /nfs/dbraw/zinc/81/71/74/801817174.db2.gz IQUDUFHPLVQIRE-WBVHZDCISA-N 0 3 286.419 3.072 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ccccc32)[C@H]1C ZINC001089016846 801817236 /nfs/dbraw/zinc/81/72/36/801817236.db2.gz XPPXTDNERLCKIO-KDOFPFPSSA-N 0 3 294.398 3.218 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC1(C)C)C2 ZINC001095885041 801885528 /nfs/dbraw/zinc/88/55/28/801885528.db2.gz MZKNYYPUKLWYQU-WCVJEAGWSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCCC1)C2 ZINC001097777479 801905216 /nfs/dbraw/zinc/90/52/16/801905216.db2.gz GXBLXXOCHZOLAR-OAGGEKHMSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001099001744 801924622 /nfs/dbraw/zinc/92/46/22/801924622.db2.gz WHSBOAFMTQLEQK-GOEBONIOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001099001745 801925069 /nfs/dbraw/zinc/92/50/69/801925069.db2.gz WHSBOAFMTQLEQK-HOCLYGCPSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102222804 801999787 /nfs/dbraw/zinc/99/97/87/801999787.db2.gz GWPCSJMAJTVODK-YOIVVXPQSA-N 0 3 298.858 3.025 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC001113199574 802205130 /nfs/dbraw/zinc/20/51/30/802205130.db2.gz ASVYTOCYKUYFGX-SJORKVTESA-N 0 3 290.451 3.232 20 30 CGEDHN C#CCCCCCC(=O)N1CCN([C@@H](C)CCC=C)CC1 ZINC001113205077 802205310 /nfs/dbraw/zinc/20/53/10/802205310.db2.gz KHGYEMPEIABERL-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)C2CC2)CCCCC1 ZINC001115466099 802263950 /nfs/dbraw/zinc/26/39/50/802263950.db2.gz AXWMOUNEPMHDPH-CYBMUJFWSA-N 0 3 298.858 3.194 20 30 CGEDHN C#CCN(Cc1ccc(OC)c(Cl)c1)CC1CC1 ZINC001116417525 802345703 /nfs/dbraw/zinc/34/57/03/802345703.db2.gz JKHYQYQLLUMFGS-UHFFFAOYSA-N 0 3 263.768 3.194 20 30 CGEDHN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC001117805342 802501320 /nfs/dbraw/zinc/50/13/20/802501320.db2.gz VHVVEUFLQDIWOW-UHFFFAOYSA-N 0 3 284.363 3.229 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@@H](C)CC)C2 ZINC001121014163 802799984 /nfs/dbraw/zinc/79/99/84/802799984.db2.gz HBXHMMVURQNUBK-VBTSJIPESA-N 0 3 298.858 3.192 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccco1 ZINC001123475300 802947923 /nfs/dbraw/zinc/94/79/23/802947923.db2.gz FFRUIDNCBWLXQB-KOLCDFICSA-N 0 3 290.269 3.323 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CCCCC2)CC1 ZINC001127416384 803139823 /nfs/dbraw/zinc/13/98/23/803139823.db2.gz FJZZKGQHVUZVQM-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC(CC=C)C(=O)NCCNCc1csc(C)c1 ZINC001128085635 803173148 /nfs/dbraw/zinc/17/31/48/803173148.db2.gz YDYCDWKABDPYOV-UHFFFAOYSA-N 0 3 292.448 3.031 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(CC)CC)CC[C@H]1C ZINC001132392571 803399914 /nfs/dbraw/zinc/39/99/14/803399914.db2.gz MNQFYFMFOGAIEK-ZBFHGGJFSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCCCCC)CC[C@@H]1C ZINC001132463963 803406056 /nfs/dbraw/zinc/40/60/56/803406056.db2.gz KWZVYUQDOVTBEH-GJZGRUSLSA-N 0 3 266.429 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(CC)CC)CC[C@H]1C ZINC001132494578 803409122 /nfs/dbraw/zinc/40/91/22/803409122.db2.gz UPGKDICTGOFPAC-CABCVRRESA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCCCC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001133144930 803458016 /nfs/dbraw/zinc/45/80/16/803458016.db2.gz HVEVIXGAFYGYKO-GFCCVEGCSA-N 0 3 296.361 3.088 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985791 803667637 /nfs/dbraw/zinc/66/76/37/803667637.db2.gz VSTRPOSDYZTKLF-GFCCVEGCSA-N 0 3 256.324 3.152 20 30 CGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc2ccccc2[nH]1 ZINC001137319695 803714426 /nfs/dbraw/zinc/71/44/26/803714426.db2.gz KILHQCBNBMFBDT-DVSIDAKKSA-N 0 3 265.360 3.434 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C)[C@H](C)C2)c(C#N)c1 ZINC001137699508 803760870 /nfs/dbraw/zinc/76/08/70/803760870.db2.gz JWEAHTWLYKARTK-ZIAGYGMSSA-N 0 3 272.392 3.435 20 30 CGEDHN COc1ccc(CN2CCc3ccccc3CC2)c(C#N)c1 ZINC001137703327 803761051 /nfs/dbraw/zinc/76/10/51/803761051.db2.gz JTQJOLYLIHEVBW-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN CN1CCC(Oc2ccnc(-c3ccc(C#N)cc3)c2)CC1 ZINC001245492898 803765261 /nfs/dbraw/zinc/76/52/61/803765261.db2.gz OYBKUCAHJUFQIS-UHFFFAOYSA-N 0 3 293.370 3.093 20 30 CGEDHN C=CCN1CCN(Cc2ccc(C)c3ccccc23)CC1 ZINC001138015536 803825381 /nfs/dbraw/zinc/82/53/81/803825381.db2.gz JRZVKGPOINHUOO-UHFFFAOYSA-N 0 3 280.415 3.452 20 30 CGEDHN Cc1ccc(F)c(CN2CCC3SC(=O)C=C3C2)c1F ZINC001138116146 803858781 /nfs/dbraw/zinc/85/87/81/803858781.db2.gz YNFKVNANTBKXEE-CYBMUJFWSA-N 0 3 295.354 3.047 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H](F)CC2)cc1OC ZINC001138343743 803898845 /nfs/dbraw/zinc/89/88/45/803898845.db2.gz OSOLWNRLLIGHRY-OAHLLOKOSA-N 0 3 291.366 3.031 20 30 CGEDHN C(#Cc1ccc(CN2CC=CC2)cc1)c1ccccc1 ZINC001138335667 803899722 /nfs/dbraw/zinc/89/97/22/803899722.db2.gz ZTBJGPLCDIWKTK-UHFFFAOYSA-N 0 3 259.352 3.458 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2ccc(OC)cc12 ZINC001138510881 803955032 /nfs/dbraw/zinc/95/50/32/803955032.db2.gz NNBAAIVHUSXHQJ-UHFFFAOYSA-N 0 3 256.349 3.351 20 30 CGEDHN COc1ccc2[nH]cc(CN3CCC[C@H](C#N)CC3)c2c1 ZINC001138510667 803955414 /nfs/dbraw/zinc/95/54/14/803955414.db2.gz FLBIHLAPSHGBJN-ZDUSSCGKSA-N 0 3 283.375 3.302 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2ccccc2N2CCCC2)CC1 ZINC001138611925 803981540 /nfs/dbraw/zinc/98/15/40/803981540.db2.gz WVJVNOVLVSOIIP-MRXNPFEDSA-N 0 3 283.419 3.412 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@H](F)C2)c1[O-] ZINC001138625504 803982562 /nfs/dbraw/zinc/98/25/62/803982562.db2.gz MQVOEZFVWPMGPO-HNNXBMFYSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCCC[C@H](F)C2)c1[O-] ZINC001138625504 803982568 /nfs/dbraw/zinc/98/25/68/803982568.db2.gz MQVOEZFVWPMGPO-HNNXBMFYSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC3(CCOC3)CC2)c1[O-] ZINC001138625226 803982765 /nfs/dbraw/zinc/98/27/65/803982765.db2.gz HUOBDIROTVKFFF-UHFFFAOYSA-N 0 3 287.403 3.123 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC001138629161 803986366 /nfs/dbraw/zinc/98/63/66/803986366.db2.gz QMRRSEMLMHHLNH-UHFFFAOYSA-N 0 3 287.403 3.123 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC001138629161 803986371 /nfs/dbraw/zinc/98/63/71/803986371.db2.gz QMRRSEMLMHHLNH-UHFFFAOYSA-N 0 3 287.403 3.123 20 30 CGEDHN C=C(C)COc1ccccc1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001138665529 803997152 /nfs/dbraw/zinc/99/71/52/803997152.db2.gz ONDMCCGUHCHITM-IYBDPMFKSA-N 0 3 288.435 3.166 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC001138665138 803997708 /nfs/dbraw/zinc/99/77/08/803997708.db2.gz HAKRGPXYNJOGGE-IRXDYDNUSA-N 0 3 287.403 3.110 20 30 CGEDHN C=CCN(CC=C)Cc1cn(C)c2ccc(OC)cc12 ZINC001139150406 804138135 /nfs/dbraw/zinc/13/81/35/804138135.db2.gz JSSPVAMOTOLRKV-UHFFFAOYSA-N 0 3 270.376 3.361 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc(-c3cnccn3)cc2)C1 ZINC001139393052 804186478 /nfs/dbraw/zinc/18/64/78/804186478.db2.gz CKIBYNCEITXDLA-HNNXBMFYSA-N 0 3 292.386 3.269 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)cc1F ZINC001139527154 804200538 /nfs/dbraw/zinc/20/05/38/804200538.db2.gz YYWZKYGVNYPHEB-UKRRQHHQSA-N 0 3 258.340 3.319 20 30 CGEDHN CCOc1ccc(C)cc1CN1CCC(S)CC1 ZINC001139604876 804222975 /nfs/dbraw/zinc/22/29/75/804222975.db2.gz PCYVLJDNENLITA-UHFFFAOYSA-N 0 3 265.422 3.288 20 30 CGEDHN COCC[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC001139651981 804243656 /nfs/dbraw/zinc/24/36/56/804243656.db2.gz ZTVLFEFVQTYDRV-HNNXBMFYSA-N 0 3 276.355 3.088 20 30 CGEDHN C=CCn1cc(CN2CC[C@H]3CCCC[C@H]3C2)cn1 ZINC001139772614 804277047 /nfs/dbraw/zinc/27/70/47/804277047.db2.gz MPDQOPSVNQWOOH-CVEARBPZSA-N 0 3 259.397 3.081 20 30 CGEDHN C=CCn1cc(CN(C)CCCc2ccccc2)cn1 ZINC001139770456 804277696 /nfs/dbraw/zinc/27/76/96/804277696.db2.gz NULZFDOVICXZIE-UHFFFAOYSA-N 0 3 269.392 3.134 20 30 CGEDHN C=CCN(CC=C)Cc1ccccc1-n1ccnc1C ZINC001140027947 804353976 /nfs/dbraw/zinc/35/39/76/804353976.db2.gz IDDZRNQMAXQQFZ-UHFFFAOYSA-N 0 3 267.376 3.355 20 30 CGEDHN CN(Cc1cccc(F)c1F)C1CCC(C#N)CC1 ZINC001256971440 807020811 /nfs/dbraw/zinc/02/08/11/807020811.db2.gz IBGHSAIJRQBRII-UHFFFAOYSA-N 0 3 264.319 3.479 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc2cccc(O)c2n1 ZINC001141021344 804573486 /nfs/dbraw/zinc/57/34/86/804573486.db2.gz DCBHMOTYDYAHLA-UHFFFAOYSA-N 0 3 256.349 3.338 20 30 CGEDHN Cc1ncoc1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001141052845 804580157 /nfs/dbraw/zinc/58/01/57/804580157.db2.gz MEIJBTLQYUGAMP-UHFFFAOYSA-N 0 3 281.359 3.234 20 30 CGEDHN CCCCN(CC)Cc1ccc(C#N)c(SC)n1 ZINC001141929634 804680473 /nfs/dbraw/zinc/68/04/73/804680473.db2.gz YWUAWBQKUWXVAQ-UHFFFAOYSA-N 0 3 263.410 3.297 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144414346 804982921 /nfs/dbraw/zinc/98/29/21/804982921.db2.gz BWVBEJGEJUQOII-NSHDSACASA-N 0 3 288.782 3.342 20 30 CGEDHN CCc1cc(C#N)ccc1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001248752437 804984087 /nfs/dbraw/zinc/98/40/87/804984087.db2.gz LTLCBLUQZRTXEM-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN CCc1cc(C#N)ccc1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001248752437 804984090 /nfs/dbraw/zinc/98/40/90/804984090.db2.gz LTLCBLUQZRTXEM-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN Cn1ccc(-c2ccc(CN3CCC[C@@H](CC#N)C3)cc2)n1 ZINC001248766400 804988113 /nfs/dbraw/zinc/98/81/13/804988113.db2.gz OTKZMKXECNTFGU-HNNXBMFYSA-N 0 3 294.402 3.213 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)c3ccccc3)C2)cc1 ZINC001144579068 805008167 /nfs/dbraw/zinc/00/81/67/805008167.db2.gz XEBIIDOMDKWPNH-LJQANCHMSA-N 0 3 289.378 3.373 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3cccnc3)C2)cc1 ZINC001144573592 805008456 /nfs/dbraw/zinc/00/84/56/805008456.db2.gz MHQWECIYOYMJLA-LJQANCHMSA-N 0 3 292.382 3.106 20 30 CGEDHN COC[C@H]1CCCCN1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426692 805146323 /nfs/dbraw/zinc/14/63/23/805146323.db2.gz CGZHKIXPVYKVDR-MRXNPFEDSA-N 0 3 283.375 3.040 20 30 CGEDHN C[C@@]1(CF)CCN(Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249427023 805146716 /nfs/dbraw/zinc/14/67/16/805146716.db2.gz NYTWQNGRTHDKCL-INIZCTEOSA-N 0 3 271.339 3.221 20 30 CGEDHN Cc1cc(C#N)cc(NC2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001249561757 805177361 /nfs/dbraw/zinc/17/73/61/805177361.db2.gz SGQCIMCWNHGBBJ-SFHVURJKSA-N 0 3 297.402 3.047 20 30 CGEDHN C=C(C)Cc1ccc(C2(N3CCN(C)CC3)CC2)cc1 ZINC001250244036 805515893 /nfs/dbraw/zinc/51/58/93/805515893.db2.gz FQNZASFPXQYAPJ-UHFFFAOYSA-N 0 3 270.420 3.042 20 30 CGEDHN C=CCN1CCC[C@@H]1c1ccc(NC2CC(=O)C2)cc1 ZINC001167348113 807184363 /nfs/dbraw/zinc/18/43/63/807184363.db2.gz PVFCYLMRYVKZOW-QGZVFWFLSA-N 0 3 270.376 3.153 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001167377778 807188717 /nfs/dbraw/zinc/18/87/17/807188717.db2.gz WJYNZSAVBKBSMY-JSGCOSHPSA-N 0 3 298.858 3.051 20 30 CGEDHN COCC#CCN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC001167478066 807197305 /nfs/dbraw/zinc/19/73/05/807197305.db2.gz KREITHGHCFAMMV-FUHWJXTLSA-N 0 3 271.404 3.418 20 30 CGEDHN CCCCCCC[C@H](C)N1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001258045186 807273392 /nfs/dbraw/zinc/27/33/92/807273392.db2.gz YFVWPEMKWWLIDR-MWDXBVQZSA-N 0 3 283.456 3.207 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(c2cncnc2)CC1 ZINC001258049746 807275347 /nfs/dbraw/zinc/27/53/47/807275347.db2.gz OBXOHZQEZWSECE-INIZCTEOSA-N 0 3 290.455 3.348 20 30 CGEDHN N#C[C@H]1CCCN([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734685 807498511 /nfs/dbraw/zinc/49/85/11/807498511.db2.gz KGHPOQFOAJKDRJ-GXTWGEPZSA-N 0 3 274.795 3.433 20 30 CGEDHN CCCCC[C@H](CCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258666838 807534532 /nfs/dbraw/zinc/53/45/32/807534532.db2.gz JVZAIXWOFCIJAA-IHRRRGAJSA-N 0 3 272.433 3.245 20 30 CGEDHN C=CCC[C@H](C)NCC(=O)c1ccc(Cl)cc1 ZINC001258717845 807567958 /nfs/dbraw/zinc/56/79/58/807567958.db2.gz WDEFBMONLHVRSY-NSHDSACASA-N 0 3 251.757 3.467 20 30 CGEDHN CC[C@@H](C)C[C@H](CC)NCc1ncc(C#N)s1 ZINC001258785967 807611499 /nfs/dbraw/zinc/61/14/99/807611499.db2.gz YANUBNORXHYDHU-MNOVXSKESA-N 0 3 251.399 3.319 20 30 CGEDHN N#CC1(c2ccccc2)CCC(N2C=C(N)C=CC2)CC1 ZINC001170371645 807830410 /nfs/dbraw/zinc/83/04/10/807830410.db2.gz HQFXPNSKIQEMJG-UHFFFAOYSA-N 0 3 279.387 3.062 20 30 CGEDHN COc1ccc([C@@H](NCc2cncc(C#N)c2)C(C)C)cc1 ZINC001262237679 807839613 /nfs/dbraw/zinc/83/96/13/807839613.db2.gz GEUPISDIQXJUPG-SFHVURJKSA-N 0 3 295.386 3.449 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(COC(C)C)c1 ZINC001263078887 807930527 /nfs/dbraw/zinc/93/05/27/807930527.db2.gz XHYZQKBLOMTUIE-INIZCTEOSA-N 0 3 290.407 3.234 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(F)CC1 ZINC001263181801 807938363 /nfs/dbraw/zinc/93/83/63/807938363.db2.gz WWRWQUQXRWPNHC-AWEZNQCLSA-N 0 3 272.408 3.025 20 30 CGEDHN CC[C@@H](CC#N)NCC1([C@H]2CCCCO2)CCC1 ZINC001170948386 807941785 /nfs/dbraw/zinc/94/17/85/807941785.db2.gz HXNNCONJKOYDQU-UONOGXRCSA-N 0 3 250.386 3.008 20 30 CGEDHN CCO[C@H](C(=O)C(C#N)c1cccc(F)n1)c1ccccc1 ZINC001263378061 807949001 /nfs/dbraw/zinc/94/90/01/807949001.db2.gz URIFSXWQVYMTQZ-DYVFJYSZSA-N 0 3 298.317 3.175 20 30 CGEDHN CN(C)Cc1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171060851 807976539 /nfs/dbraw/zinc/97/65/39/807976539.db2.gz LWQVIVRLSWXVRD-QGZVFWFLSA-N 0 3 292.386 3.114 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171105356 807985336 /nfs/dbraw/zinc/98/53/36/807985336.db2.gz SPDGSYIXZLTGNP-HUUCEWRRSA-N 0 3 262.784 3.479 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCC1(C#N)CCCC1 ZINC001171174841 807999491 /nfs/dbraw/zinc/99/94/91/807999491.db2.gz DPBVPJYIPINWNN-AWEZNQCLSA-N 0 3 267.376 3.163 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1ccccc1C#N ZINC001171182513 808001774 /nfs/dbraw/zinc/00/17/74/808001774.db2.gz WSGLYNDILHEBPE-CQSZACIVSA-N 0 3 275.355 3.151 20 30 CGEDHN CC(C)n1cnc(CN[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171198124 808007651 /nfs/dbraw/zinc/00/76/51/808007651.db2.gz HOXIHOBSKZDFJL-CQSZACIVSA-N 0 3 282.391 3.056 20 30 CGEDHN CC(C)Cn1cnc(CN[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171198946 808008159 /nfs/dbraw/zinc/00/81/59/808008159.db2.gz UAAZJTQTDDAYBF-HNNXBMFYSA-N 0 3 296.418 3.132 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC[C@@H]1c1cnccn1 ZINC001171220857 808011431 /nfs/dbraw/zinc/01/14/31/808011431.db2.gz FADMIOYHVGLFLL-RDTXWAMCSA-N 0 3 292.386 3.116 20 30 CGEDHN N=C(Nc1cccc(C2CCC2)c1)c1ccc(C(N)=O)cc1 ZINC001171261150 808016890 /nfs/dbraw/zinc/01/68/90/808016890.db2.gz TVSNFCMOZUPEIX-UHFFFAOYSA-N 0 3 293.370 3.090 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001264370958 808060793 /nfs/dbraw/zinc/06/07/93/808060793.db2.gz MYPIXOUZKOMKNI-NKHMXISVSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)CC(C)C ZINC001264376434 808062344 /nfs/dbraw/zinc/06/23/44/808062344.db2.gz JBQZHHULBBZCGR-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](CC)C(C)C ZINC001265414947 808140941 /nfs/dbraw/zinc/14/09/41/808140941.db2.gz SQFOZDYAJYORFH-ZACQAIPSSA-N 0 3 292.467 3.310 20 30 CGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001265575754 808155512 /nfs/dbraw/zinc/15/55/12/808155512.db2.gz LLDFGRUMSIPWGG-DLBZAZTESA-N 0 3 292.467 3.054 20 30 CGEDHN Cc1nc(CN[C@@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172291310 808216720 /nfs/dbraw/zinc/21/67/20/808216720.db2.gz IESLYEPQEKVZPP-NSHDSACASA-N 0 3 271.389 3.044 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCC(=O)c1cccc(F)c1 ZINC001172300215 808220869 /nfs/dbraw/zinc/22/08/69/808220869.db2.gz TYONEWDPROVUKV-CYBMUJFWSA-N 0 3 296.345 3.101 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCCN(C)Cc1ccccc1C ZINC001266311522 808240124 /nfs/dbraw/zinc/24/01/24/808240124.db2.gz AAQDRRYUEPUNFI-MRXNPFEDSA-N 0 3 288.435 3.145 20 30 CGEDHN C=CCN(CCNC(=O)CC1(C)CCCCC1)C1CC1 ZINC001266600055 808294885 /nfs/dbraw/zinc/29/48/85/808294885.db2.gz HRTWYXXHSFFPDP-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN COc1cc(C[NH2+][C@H](C)CCCC#N)cc(Cl)c1[O-] ZINC001172489446 808349755 /nfs/dbraw/zinc/34/97/55/808349755.db2.gz RZOMEOZMEUOQOG-SNVBAGLBSA-N 0 3 282.771 3.226 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(Cc2ccccc2F)CC1 ZINC001172507540 808363783 /nfs/dbraw/zinc/36/37/83/808363783.db2.gz WGFTUCUNABVRQO-HNNXBMFYSA-N 0 3 289.398 3.026 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(C)[C@H](c2ccccc2)C1 ZINC001172507127 808364059 /nfs/dbraw/zinc/36/40/59/808364059.db2.gz PMGXLPBDOFSLJW-WBVHZDCISA-N 0 3 271.408 3.057 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@@](C)(C=C)CC)c1ccccc1 ZINC001267523797 808439213 /nfs/dbraw/zinc/43/92/13/808439213.db2.gz WXSSXDVZVXVIEQ-WMZOPIPTSA-N 0 3 286.419 3.222 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001268156958 808550323 /nfs/dbraw/zinc/55/03/23/808550323.db2.gz OACVQEVFYKJNKV-AWEZNQCLSA-N 0 3 298.858 3.290 20 30 CGEDHN Cc1nc2ccc(Nc3cc(C#N)cnc3C)cc2[nH]1 ZINC001213072209 815221696 /nfs/dbraw/zinc/22/16/96/815221696.db2.gz IETCMFAJFJJLNG-UHFFFAOYSA-N 0 3 263.304 3.190 20 30 CGEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCCC2(CCCCC2)C1)C(=O)N[O-] ZINC001173346000 808622414 /nfs/dbraw/zinc/62/24/14/808622414.db2.gz JDGSJLJWPFEYNM-KKUMJFAQSA-N 0 3 296.455 3.389 20 30 CGEDHN Cc1nc2ccc(Nc3c(O)cccc3C#N)cc2[nH]1 ZINC001213075459 815224847 /nfs/dbraw/zinc/22/48/47/815224847.db2.gz SXWBZSNIHGNTHW-UHFFFAOYSA-N 0 3 264.288 3.192 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1CC/C=C\CC ZINC001269272594 808661927 /nfs/dbraw/zinc/66/19/27/808661927.db2.gz LWGKPHDPSRGZRC-LZNQSLFOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C1CCC(C(=O)N2CCC[C@H]2CNC[C@@H](F)CC)CC1 ZINC001270128886 808718498 /nfs/dbraw/zinc/71/84/98/808718498.db2.gz KMABLHKNEDCZFS-HOTGVXAUSA-N 0 3 296.430 3.062 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001273466487 808846201 /nfs/dbraw/zinc/84/62/01/808846201.db2.gz PGHZVYWYKPCMFR-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCc1ccccc1F ZINC001274906487 808893102 /nfs/dbraw/zinc/89/31/02/808893102.db2.gz CYVNPKXOICNUFC-CXAGYDPISA-N 0 3 292.398 3.022 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(C)cc1 ZINC001275565042 808949325 /nfs/dbraw/zinc/94/93/25/808949325.db2.gz ACLISPRQTKAYIX-MRXNPFEDSA-N 0 3 288.435 3.288 20 30 CGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001276311296 809002085 /nfs/dbraw/zinc/00/20/85/809002085.db2.gz LZSPRLSGRHPMPJ-HOTGVXAUSA-N 0 3 292.467 3.053 20 30 CGEDHN Cc1cnccc1Nc1ccc(C#N)cc1Br ZINC001174537544 809070181 /nfs/dbraw/zinc/07/01/81/809070181.db2.gz KDPSTLRKYWDPCR-UHFFFAOYSA-N 0 3 288.148 3.190 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001278662663 809150954 /nfs/dbraw/zinc/15/09/54/809150954.db2.gz DPUHIBCTOZIVNY-MSOLQXFVSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCC[C@H](F)C1)C(C)C ZINC001278908856 809155051 /nfs/dbraw/zinc/15/50/51/809155051.db2.gz YWWXGFHMNBXURI-HOTGVXAUSA-N 0 3 298.446 3.260 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001280139635 809181391 /nfs/dbraw/zinc/18/13/91/809181391.db2.gz JXITVZLELMNNEG-AWEZNQCLSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2(CC=C)CCC2)C(C)(C)C1 ZINC001281554130 809215509 /nfs/dbraw/zinc/21/55/09/809215509.db2.gz WPFFSEIWPIQGIV-OAHLLOKOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC001283191074 809272618 /nfs/dbraw/zinc/27/26/18/809272618.db2.gz HIJYLTNGRKETPZ-QWHCGFSZSA-N 0 3 288.863 3.296 20 30 CGEDHN CC#CCN1CCC([C@H](C)NC(=O)CCCCCC)CC1 ZINC001284726427 809316677 /nfs/dbraw/zinc/31/66/77/809316677.db2.gz YPFCQPHHODSNEX-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCN(CC)CC(=O)NCCC1CCCCC1 ZINC001176798594 809761648 /nfs/dbraw/zinc/76/16/48/809761648.db2.gz USUZNHZTDHVIDR-UHFFFAOYSA-N 0 3 280.456 3.361 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccccc1CC ZINC001187660142 810413817 /nfs/dbraw/zinc/41/38/17/810413817.db2.gz JVYWDQIHWNJISH-HNNXBMFYSA-N 0 3 287.407 3.021 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189323980 810558623 /nfs/dbraw/zinc/55/86/23/810558623.db2.gz CVDCBDNQOWDCED-HRCADAONSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](F)CCCCCC)C1 ZINC001193479259 810894495 /nfs/dbraw/zinc/89/44/95/810894495.db2.gz UHLRVVKSKAMDNA-GJZGRUSLSA-N 0 3 284.419 3.014 20 30 CGEDHN N#Cc1ccnc(CN2CCC3(CCCC3)CC2)c1 ZINC001194608818 811095314 /nfs/dbraw/zinc/09/53/14/811095314.db2.gz ZPXOLGIEZBCRTN-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN C=C(C)CCN1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001195350326 811246613 /nfs/dbraw/zinc/24/66/13/811246613.db2.gz UKUZRDXEJBKMLC-UONOGXRCSA-N 0 3 267.413 3.395 20 30 CGEDHN CCCCCCCN1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196774626 811365686 /nfs/dbraw/zinc/36/56/86/811365686.db2.gz IDKQGIUGAJFNHO-HNNXBMFYSA-N 0 3 286.435 3.239 20 30 CGEDHN C=CCCCCCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC001198242069 811486229 /nfs/dbraw/zinc/48/62/29/811486229.db2.gz QGVFHBZINXUBNW-HZPDHXFCSA-N 0 3 267.413 3.003 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(N(CC)c2ccccc2)cc1 ZINC001203214062 812268159 /nfs/dbraw/zinc/26/81/59/812268159.db2.gz BMBRREFGKFSFMR-QGZVFWFLSA-N 0 3 296.414 3.481 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)CC)C12CCC2 ZINC001203330983 812313663 /nfs/dbraw/zinc/31/36/63/812313663.db2.gz BDCDIYZGMVMMCZ-QWHCGFSZSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@]3(CCO3)C2)cc1 ZINC001204303132 812605030 /nfs/dbraw/zinc/60/50/30/812605030.db2.gz ASULBIPDQHLPIJ-QGZVFWFLSA-N 0 3 273.376 3.006 20 30 CGEDHN CO[C@]1(C)C[C@@H](N(C)Cc2csc(C#N)c2)C1(C)C ZINC001204359818 812620811 /nfs/dbraw/zinc/62/08/11/812620811.db2.gz RJIZUIPUZXPCHH-UKRRQHHQSA-N 0 3 278.421 3.255 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(Cl)s3)CCC2S1 ZINC001204444778 812641270 /nfs/dbraw/zinc/64/12/70/812641270.db2.gz UJXVKTLRFZYYQR-SNVBAGLBSA-N 0 3 285.821 3.176 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@@](C)(OC)C1CC1 ZINC001204496392 812655504 /nfs/dbraw/zinc/65/55/04/812655504.db2.gz GHYSANYODNZYGX-QGZVFWFLSA-N 0 3 275.367 3.076 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C)cc2C)no1 ZINC001206094611 813198334 /nfs/dbraw/zinc/19/83/34/813198334.db2.gz QSKJBXZQUAJTFX-UHFFFAOYSA-N 0 3 283.375 3.462 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(OC)cc2C)no1 ZINC001206094854 813198991 /nfs/dbraw/zinc/19/89/91/813198991.db2.gz XWXWEWRFHAUUPI-UHFFFAOYSA-N 0 3 299.374 3.163 20 30 CGEDHN C#CCCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC001209261383 813988461 /nfs/dbraw/zinc/98/84/61/813988461.db2.gz PPYAGVQNJJPUGM-UHFFFAOYSA-N 0 3 276.811 3.184 20 30 CGEDHN C=CCCCCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC001209431846 814031243 /nfs/dbraw/zinc/03/12/43/814031243.db2.gz UZBUKXKLGVNSCR-GFCCVEGCSA-N 0 3 265.319 3.122 20 30 CGEDHN C=CCCCCCCCCN1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001209443533 814043625 /nfs/dbraw/zinc/04/36/25/814043625.db2.gz UWIDSXIMESPCEE-KZNAEPCWSA-N 0 3 295.467 3.375 20 30 CGEDHN Cc1cccc2c(CN3CCC4SC(=O)C=C4C3)c[nH]c21 ZINC001209481809 814055070 /nfs/dbraw/zinc/05/50/70/814055070.db2.gz BVMUNYMEDQIJMP-HNNXBMFYSA-N 0 3 298.411 3.250 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001210284769 814379344 /nfs/dbraw/zinc/37/93/44/814379344.db2.gz SLKFEMQMVLWSHD-BZUAXINKSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001210620848 814559910 /nfs/dbraw/zinc/55/99/10/814559910.db2.gz YJTKDRCJKSSKJN-QLFBSQMISA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001211512738 814900241 /nfs/dbraw/zinc/90/02/41/814900241.db2.gz CDZDIDMPFNOMEZ-GOVFWEMJSA-N 0 3 298.430 3.021 20 30 CGEDHN N#C[C@H]1CNC[C@H]1OCc1ccccc1Oc1ccccc1 ZINC001217832063 815972641 /nfs/dbraw/zinc/97/26/41/815972641.db2.gz MLURVMZBRUMPIG-MAUKXSAKSA-N 0 3 294.354 3.107 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)OC[C@@H]1COC(C)(C)N1 ZINC001217888907 815990834 /nfs/dbraw/zinc/99/08/34/815990834.db2.gz GZRZVTCOLFUJPS-ZIAGYGMSSA-N 0 3 291.391 3.054 20 30 CGEDHN N#Cc1cccc(-c2ccc(O[C@H]3CCNC[C@H]3F)cc2)c1 ZINC001218069553 816085900 /nfs/dbraw/zinc/08/59/00/816085900.db2.gz JBFNXVKNZOWQLQ-MSOLQXFVSA-N 0 3 296.345 3.304 20 30 CGEDHN C#C[C@@H](Oc1ccc2c(n1)CCNC2)[C@@H](CC)CCCC ZINC001218291658 816154895 /nfs/dbraw/zinc/15/48/95/816154895.db2.gz JIWJYDHBZDUWKY-WMLDXEAASA-N 0 3 286.419 3.324 20 30 CGEDHN COc1cc(C#N)cc(C)c1O[C@H]1CNCc2ccccc21 ZINC001218493338 816246485 /nfs/dbraw/zinc/24/64/85/816246485.db2.gz MNXFTCVMQCQZNM-KRWDZBQOSA-N 0 3 294.354 3.099 20 30 CGEDHN C[C@H]1CCN[C@H](C(=O)Nc2sc3ccccc3c2C#N)C1 ZINC001218648845 816249048 /nfs/dbraw/zinc/24/90/48/816249048.db2.gz LHLFEMBQCSOENR-GWCFXTLKSA-N 0 3 299.399 3.100 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc(CC)nc1 ZINC001218653283 816249968 /nfs/dbraw/zinc/24/99/68/816249968.db2.gz WFXBUHXOZLASIF-HNNXBMFYSA-N 0 3 275.396 3.046 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1c(N)cccc1Cl ZINC001218906200 816257713 /nfs/dbraw/zinc/25/77/13/816257713.db2.gz DECPIFNVYVLFRX-ZDUSSCGKSA-N 0 3 295.814 3.325 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221754297 816325873 /nfs/dbraw/zinc/32/58/73/816325873.db2.gz HUGGQUBTGAEDQA-GVDBMIGSSA-N 0 3 290.451 3.088 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](CC)CC(C)C)C[C@@H]21 ZINC001223865135 816692509 /nfs/dbraw/zinc/69/25/09/816692509.db2.gz IOEFUWYOLSLWCB-BBWFWOEESA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)CC(C)C)C[C@@H]21 ZINC001223874745 816694864 /nfs/dbraw/zinc/69/48/64/816694864.db2.gz MGUGRWNRJGHCQU-CVEARBPZSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(Br)c[nH]1 ZINC001231576004 818126268 /nfs/dbraw/zinc/12/62/68/818126268.db2.gz SESCJSDPQKLTQL-UHFFFAOYSA-N 0 3 257.175 3.175 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC001231658893 818150810 /nfs/dbraw/zinc/15/08/10/818150810.db2.gz ARMOZKOJJZPHOP-IBGZPJMESA-N 0 3 295.357 3.460 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](Oc3ccc(C)cn3)C2)c1 ZINC001231664886 818153659 /nfs/dbraw/zinc/15/36/59/818153659.db2.gz YPCUKCOVDJMXBJ-SFHVURJKSA-N 0 3 292.382 3.025 20 30 CGEDHN COc1cccc2c(CN3CCC(C)(C#N)CC3)c[nH]c21 ZINC001231899084 818207312 /nfs/dbraw/zinc/20/73/12/818207312.db2.gz KUNNAIHTGKTVAC-UHFFFAOYSA-N 0 3 283.375 3.302 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC001232117338 818259845 /nfs/dbraw/zinc/25/98/45/818259845.db2.gz YDBBBONPUHWBPB-MRXNPFEDSA-N 0 3 290.794 3.214 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1ccc(CCO)cc1 ZINC001232779858 818435404 /nfs/dbraw/zinc/43/54/04/818435404.db2.gz WREDBHDYVBYECH-UHFFFAOYSA-N 0 3 281.399 3.410 20 30 CGEDHN COc1ccc(CCN(C)Cc2ccc(C#N)s2)cc1 ZINC001232845707 818454220 /nfs/dbraw/zinc/45/42/20/818454220.db2.gz LEAIYMPOWLYSOW-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN CN(CCc1cccc(F)c1)Cc1ccc(C#N)s1 ZINC001232846941 818455233 /nfs/dbraw/zinc/45/52/33/818455233.db2.gz PEBBRBHRIMJOQR-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN Cc1cc(C#N)ccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001233082436 818519358 /nfs/dbraw/zinc/51/93/58/818519358.db2.gz MHSLLVMVSJBYTE-XGBSXSJOSA-N 0 3 265.360 3.133 20 30 CGEDHN CN1CCC(Oc2cc(C#N)cc(C(F)(F)F)c2)CC1 ZINC001233659504 818672111 /nfs/dbraw/zinc/67/21/11/818672111.db2.gz WQEMSXQPJRMFDG-UHFFFAOYSA-N 0 3 284.281 3.050 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234049362 818767913 /nfs/dbraw/zinc/76/79/13/818767913.db2.gz HCRWKFOVNJIPMX-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN CN1CCC(Oc2c(C#N)ccc(Cl)c2Cl)CC1 ZINC001234423786 818851552 /nfs/dbraw/zinc/85/15/52/818851552.db2.gz GPSLAIJZJOHLLT-UHFFFAOYSA-N 0 3 285.174 3.338 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234525354 818873112 /nfs/dbraw/zinc/87/31/12/818873112.db2.gz BGPHUZOXXJPMSL-AEFFLSMTSA-N 0 3 290.451 3.232 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cnc(OC(C)C)cc2C)C1 ZINC001235428121 819094167 /nfs/dbraw/zinc/09/41/67/819094167.db2.gz JMZNMLIYGVSXFE-OAHLLOKOSA-N 0 3 272.392 3.022 20 30 CGEDHN N#Cc1cc(-c2cccc(CN3CCCCC3)c2F)ncn1 ZINC001236004222 819269428 /nfs/dbraw/zinc/26/94/28/819269428.db2.gz LHEXALUXDHINTP-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN CCc1ccc(CN2CCc3cc(C#N)ccc3C2)c(O)c1 ZINC001236783861 819593166 /nfs/dbraw/zinc/59/31/66/819593166.db2.gz PEGOHRMWHPNELD-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN C=CCN(CC=C)Cc1ccc2ncnc(Cl)c2c1 ZINC001237577018 819780419 /nfs/dbraw/zinc/78/04/19/819780419.db2.gz DHRCFKQMAWQMFB-UHFFFAOYSA-N 0 3 273.767 3.457 20 30 CGEDHN COc1ccc(C)c(CN2CCC[C@@H](C#N)CC2)c1 ZINC001237709399 819816199 /nfs/dbraw/zinc/81/61/99/819816199.db2.gz IDZIZLZXSWFMLL-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN COCCN(Cc1cc(Cl)cc(C#N)c1)C(C)C ZINC001237756594 819837521 /nfs/dbraw/zinc/83/75/21/819837521.db2.gz KUPSXKBQJZWPKA-UHFFFAOYSA-N 0 3 266.772 3.068 20 30 CGEDHN SC1CCN(Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001238001823 819910189 /nfs/dbraw/zinc/91/01/89/819910189.db2.gz YAOIOMJAVWCCDI-UHFFFAOYSA-N 0 3 281.812 3.111 20 30 CGEDHN N#CCC1CCN(Cc2cccc(N3CCCCC3)n2)CC1 ZINC001238011986 819912234 /nfs/dbraw/zinc/91/22/34/819912234.db2.gz UXBLGFXKKSMKFA-UHFFFAOYSA-N 0 3 298.434 3.198 20 30 CGEDHN CCCCN1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC001238086115 819928095 /nfs/dbraw/zinc/92/80/95/819928095.db2.gz UXGIJEWCUSOUTO-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN CCCCCCCCCNC(=S)N1C[C@H](C)NC[C@H]1C ZINC001239435887 820304402 /nfs/dbraw/zinc/30/44/02/820304402.db2.gz ZQKSMEMHDLKURE-LSDHHAIUSA-N 0 3 299.528 3.294 20 30 CGEDHN CCCCCCCCCNC(=S)N1[C@H](C)CNC[C@H]1C ZINC001239445287 820309822 /nfs/dbraw/zinc/30/98/22/820309822.db2.gz GSTGNQCOHXHKFV-HUUCEWRRSA-N 0 3 299.528 3.294 20 30 CGEDHN N#Cc1ccc(-c2ccc(CN3CCCC3)c(F)c2)cn1 ZINC001241435136 821828386 /nfs/dbraw/zinc/82/83/86/821828386.db2.gz SJJCHFSMNWKFQQ-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN Cc1cc(F)ccc1C[C@@H](C)NC[C@H](C#N)CCC#N ZINC001335458912 936146730 /nfs/dbraw/zinc/14/67/30/936146730.db2.gz DJUDVXDAPNBHHX-KGLIPLIRSA-N 0 3 273.355 3.098 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)cc1NCC ZINC001340236683 936400640 /nfs/dbraw/zinc/40/06/40/936400640.db2.gz WLJPMTIGHQBFJH-CYBMUJFWSA-N 0 3 275.396 3.049 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(OCC)CC1 ZINC001341994632 936456894 /nfs/dbraw/zinc/45/68/94/936456894.db2.gz KLGLRFATYADNCG-MRXNPFEDSA-N 0 3 298.471 3.092 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H](OC)CC1 ZINC001342084670 936458674 /nfs/dbraw/zinc/45/86/74/936458674.db2.gz FERROFUDTBYMMH-CVEARBPZSA-N 0 3 298.471 3.092 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001342267855 936463955 /nfs/dbraw/zinc/46/39/55/936463955.db2.gz HMWMPWPZDNQOLG-BFHYXJOUSA-N 0 3 299.761 3.053 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cc(C)nc3c2CCCC3)C1 ZINC001343018663 936486941 /nfs/dbraw/zinc/48/69/41/936486941.db2.gz BTTQFCUGYCNXFW-INIZCTEOSA-N 0 3 286.419 3.046 20 30 CGEDHN C=CCCCN(CC)C(=O)C[C@H]1NCc2ccccc21 ZINC001343125961 936489320 /nfs/dbraw/zinc/48/93/20/936489320.db2.gz UCVSXFOYEDTZRR-MRXNPFEDSA-N 0 3 272.392 3.036 20 30 CGEDHN N#CC(C(=O)C=Cc1ccccc1)c1cccc(F)n1 ZINC001343312961 936494514 /nfs/dbraw/zinc/49/45/14/936494514.db2.gz SJJDLGUTPLSORA-XPSMFNQNSA-N 0 3 266.275 3.110 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cccc(C)c1 ZINC001344874431 936547109 /nfs/dbraw/zinc/54/71/09/936547109.db2.gz AKBRUUJCSYDZGU-OAHLLOKOSA-N 0 3 281.359 3.021 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001346095973 936837809 /nfs/dbraw/zinc/83/78/09/936837809.db2.gz LWJTXTPECLXTDI-SOUVJXGZSA-N 0 3 297.333 3.022 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(Cl)s1 ZINC001347337607 936880155 /nfs/dbraw/zinc/88/01/55/936880155.db2.gz KLOHYPGPUJXSDT-QMMMGPOBSA-N 0 3 279.752 3.108 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3cccnc3)C2)s1 ZINC001349646689 936955416 /nfs/dbraw/zinc/95/54/16/936955416.db2.gz NGKKIPAEZADBNV-CQSZACIVSA-N 0 3 283.400 3.394 20 30 CGEDHN N#CC1CCC(CN2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001351183458 937010448 /nfs/dbraw/zinc/01/04/48/937010448.db2.gz IDCORFGLRWTIHR-ACBHZAAOSA-N 0 3 298.430 3.260 20 30 CGEDHN C=C(C)c1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC001351906130 937028228 /nfs/dbraw/zinc/02/82/28/937028228.db2.gz PNTAKYZBIPDOLZ-UHFFFAOYSA-N 0 3 270.376 3.287 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CC=C(C)C)CCC1 ZINC001481058363 926876233 /nfs/dbraw/zinc/87/62/33/926876233.db2.gz WUMBPIMZUYEPEN-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN[C@H](CNC(=O)C(C1CC1)C1CC1)c1ccccc1 ZINC001481372246 926968982 /nfs/dbraw/zinc/96/89/82/926968982.db2.gz FGRAIRJVLIDHBK-QGZVFWFLSA-N 0 3 298.430 3.056 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)C1(C)CC=CC1)c1ccccc1 ZINC001481370233 926969943 /nfs/dbraw/zinc/96/99/43/926969943.db2.gz ZMTULEKXXWVQRJ-QGZVFWFLSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCC ZINC001481385824 926972351 /nfs/dbraw/zinc/97/23/51/926972351.db2.gz YUJPQXYJZSMNAD-SOLBZPMBSA-N 0 3 292.467 3.454 20 30 CGEDHN C/C=C/COc1ccc(CC[C@@H](C)NCCC#N)cc1 ZINC000426001297 927111666 /nfs/dbraw/zinc/11/16/66/927111666.db2.gz KNQJUHQFBANPIK-NHZBNJEXSA-N 0 3 272.392 3.466 20 30 CGEDHN CC#CCNCCN(CC)C(=O)[C@@H](C)CC1CCCCC1 ZINC001482955109 927383983 /nfs/dbraw/zinc/38/39/83/927383983.db2.gz FSIQBCGTCDRDMV-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CCSC)cc1 ZINC001357243285 937167741 /nfs/dbraw/zinc/16/77/41/937167741.db2.gz NHGQALVAELHZFA-OAHLLOKOSA-N 0 3 292.448 3.214 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001483658122 927562316 /nfs/dbraw/zinc/56/23/16/927562316.db2.gz GLTRGVRXFPBXCD-SJORKVTESA-N 0 3 290.451 3.280 20 30 CGEDHN N#CC(C(=O)C=Cc1cccs1)c1cccc(F)n1 ZINC001357580060 937174458 /nfs/dbraw/zinc/17/44/58/937174458.db2.gz IBXCQWRQZVNZEW-JMEBYUIHSA-N 0 3 272.304 3.172 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)CCC2CCCC2)CC1 ZINC001483960244 927651136 /nfs/dbraw/zinc/65/11/36/927651136.db2.gz WDOMQCSIEJVERG-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(SCC)cc1 ZINC001358037801 937186056 /nfs/dbraw/zinc/18/60/56/937186056.db2.gz OZADPOASSIGUEW-HNNXBMFYSA-N 0 3 292.448 3.098 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001485570740 927888399 /nfs/dbraw/zinc/88/83/99/927888399.db2.gz WJAYKSRXIWGJQQ-UONOGXRCSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001485693274 927903204 /nfs/dbraw/zinc/90/32/04/927903204.db2.gz WIXQRKFGHMTSFY-MQMHXKEQSA-N 0 3 298.858 3.050 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC[C@@](C)(F)C1 ZINC001171208875 928201207 /nfs/dbraw/zinc/20/12/07/928201207.db2.gz GKZHCJNLAHZUMH-XJKSGUPXSA-N 0 3 260.356 3.313 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001488645541 928290563 /nfs/dbraw/zinc/29/05/63/928290563.db2.gz RSQSECVOIQMKSM-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001490431205 928363103 /nfs/dbraw/zinc/36/31/03/928363103.db2.gz RWFJDEQBGALCSD-KRWDZBQOSA-N 0 3 286.419 3.042 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001490798500 928402656 /nfs/dbraw/zinc/40/26/56/928402656.db2.gz BEUAQFCTLBCLAT-OAGGEKHMSA-N 0 3 290.451 3.207 20 30 CGEDHN C=CC[C@H]1N(Cc2cc(C(=O)OC)no2)CCCC1(C)C ZINC001307730195 928514966 /nfs/dbraw/zinc/51/49/66/928514966.db2.gz UYGMHAWUHNLFII-CQSZACIVSA-N 0 3 292.379 3.028 20 30 CGEDHN C=CC1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001459485057 937489612 /nfs/dbraw/zinc/48/96/12/937489612.db2.gz FYOVZFYTINRJLO-UHFFFAOYSA-N 0 3 281.302 3.406 20 30 CGEDHN CC[C@H](c1ccccc1)N1CCN(CCCCC#N)CC1 ZINC001459592379 937492450 /nfs/dbraw/zinc/49/24/50/937492450.db2.gz ZGMKRIXDCUOADV-GOSISDBHSA-N 0 3 285.435 3.449 20 30 CGEDHN CC[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC001459984188 937510046 /nfs/dbraw/zinc/51/00/46/937510046.db2.gz MPOXMYFKMYVGLE-GZBFAFLISA-N 0 3 285.391 3.006 20 30 CGEDHN CC#CCN1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC001460086542 937514572 /nfs/dbraw/zinc/51/45/72/937514572.db2.gz VDRCDTDZPAFYIT-GDBMZVCRSA-N 0 3 257.377 3.492 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC001460826720 937547462 /nfs/dbraw/zinc/54/74/62/937547462.db2.gz OQCMYSNKAHBGMK-RISCZKNCSA-N 0 3 295.810 3.253 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1sccc1C(C)C ZINC001329622035 932010289 /nfs/dbraw/zinc/01/02/89/932010289.db2.gz BONPIPNQYRMHQO-LBPRGKRZSA-N 0 3 280.437 3.108 20 30 CGEDHN CC1(CN2CCN(c3ccccc3C#N)CC2)CCCC1 ZINC001462044990 937614600 /nfs/dbraw/zinc/61/46/00/937614600.db2.gz YERFUUBKERQXAY-UHFFFAOYSA-N 0 3 283.419 3.261 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1CC/C=C/CCC ZINC001316602119 932744358 /nfs/dbraw/zinc/74/43/58/932744358.db2.gz SNEBHQFWSYWWEC-SCOAYWHSSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCC(=O)NCCN(C)Cc1ccccc1C(C)C ZINC001492214661 932810688 /nfs/dbraw/zinc/81/06/88/932810688.db2.gz ZRLGSSBKBFFTMH-UHFFFAOYSA-N 0 3 288.435 3.324 20 30 CGEDHN C[C@@]1(CNCC2(C#N)CCCCC2)CCCCO1 ZINC001462446701 937642004 /nfs/dbraw/zinc/64/20/04/937642004.db2.gz WZPFJZFXXZTPRB-AWEZNQCLSA-N 0 3 250.386 3.009 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1F)c1ccccc1O ZINC001308010753 933033285 /nfs/dbraw/zinc/03/32/85/933033285.db2.gz YHJYXQKQYDIDKS-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001308134895 933055047 /nfs/dbraw/zinc/05/50/47/933055047.db2.gz UBMHSLPCMUQYDM-CQSZACIVSA-N 0 3 285.391 3.173 20 30 CGEDHN C#C[C@H]1CCCCN1Cc1ccc2ncccc2c1 ZINC001308143827 933057385 /nfs/dbraw/zinc/05/73/85/933057385.db2.gz WDZIQTUXIRBTMM-INIZCTEOSA-N 0 3 250.345 3.223 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC001308854247 933190452 /nfs/dbraw/zinc/19/04/52/933190452.db2.gz CVATUJULDSQMHG-CYBMUJFWSA-N 0 3 291.391 3.417 20 30 CGEDHN OC[C@@H](CNCC#Cc1ccccc1)c1ccc(Cl)cc1 ZINC001308927589 933206255 /nfs/dbraw/zinc/20/62/55/933206255.db2.gz VGSZTSXKJTWOLI-QGZVFWFLSA-N 0 3 299.801 3.057 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001316973950 933502588 /nfs/dbraw/zinc/50/25/88/933502588.db2.gz LJCIYPABYQJZCE-HNNXBMFYSA-N 0 3 292.448 3.022 20 30 CGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001316985681 933506011 /nfs/dbraw/zinc/50/60/11/933506011.db2.gz MDSYSQDOLZVYLA-OAHLLOKOSA-N 0 3 292.423 3.363 20 30 CGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNC[C@H](F)CC ZINC001317187315 933549948 /nfs/dbraw/zinc/54/99/48/933549948.db2.gz YGODNTGUJOAVSQ-HUUCEWRRSA-N 0 3 284.419 3.062 20 30 CGEDHN CC#CCN1CC[C@@H](CNC(=O)C(C)(C)CCCCC)C1 ZINC001317535938 933612033 /nfs/dbraw/zinc/61/20/33/933612033.db2.gz LCDWBLLKHNSRNP-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001317557654 933621045 /nfs/dbraw/zinc/62/10/45/933621045.db2.gz GMTQCSZBKZJHQD-CABCVRRESA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001318202026 933694698 /nfs/dbraw/zinc/69/46/98/933694698.db2.gz XVQLYCAFTVUDEW-IRXDYDNUSA-N 0 3 290.451 3.230 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC1(CNCC(=C)Cl)CCCC1 ZINC001318653916 933760186 /nfs/dbraw/zinc/76/01/86/933760186.db2.gz REUGZAJPZNXATM-AWEZNQCLSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)CC1(C)CCCCC1 ZINC001467727338 937721545 /nfs/dbraw/zinc/72/15/45/937721545.db2.gz DZQQDPXHESUHJL-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C(C)(C)CCC)C(C)C ZINC001319945471 933962535 /nfs/dbraw/zinc/96/25/35/933962535.db2.gz XGOJHFKPOLNCPC-CYBMUJFWSA-N 0 3 288.863 3.296 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC001320043723 933985194 /nfs/dbraw/zinc/98/51/94/933985194.db2.gz XRDSICIPFJTFBL-UHFFFAOYSA-N 0 3 294.826 3.228 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CCc2c1cccc2Br ZINC001320592954 934070385 /nfs/dbraw/zinc/07/03/85/934070385.db2.gz VDDKGMJWBXWAJI-QMTHXVAHSA-N 0 3 296.208 3.227 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001323194155 934373651 /nfs/dbraw/zinc/37/36/51/934373651.db2.gz PGDKBETXZTVFQW-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C#CCC1(NC(=O)[C@H](C)N2CCCCCC2)CCCCC1 ZINC001472038262 937772136 /nfs/dbraw/zinc/77/21/36/937772136.db2.gz JQSAPVRJSLWXDT-INIZCTEOSA-N 0 3 290.451 3.093 20 30 CGEDHN C#CCN(Cc1ccc(C(C)C)nc1C)CC1CC1 ZINC001324213624 934472983 /nfs/dbraw/zinc/47/29/83/934472983.db2.gz OIBLTFQAPQKSIO-UHFFFAOYSA-N 0 3 256.393 3.359 20 30 CGEDHN Cc1cc(CN[C@@H](CCCC#N)c2ccccc2)[nH]n1 ZINC001324338141 934489076 /nfs/dbraw/zinc/48/90/76/934489076.db2.gz ZPAACFCMCWNGLG-INIZCTEOSA-N 0 3 268.364 3.243 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001324656970 934542603 /nfs/dbraw/zinc/54/26/03/934542603.db2.gz OXYQPKAUNBYVRE-WMZOPIPTSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(C2CCC2)C1=O ZINC001473162093 937795254 /nfs/dbraw/zinc/79/52/54/937795254.db2.gz BRWRYVZSZSEVFD-QGZVFWFLSA-N 0 3 290.451 3.208 20 30 CGEDHN Cc1cc(CNC2CC(C#N)(c3ccccc3)C2)cc(C)n1 ZINC001325780142 934929443 /nfs/dbraw/zinc/92/94/43/934929443.db2.gz TZENXEKUYKVTGZ-UHFFFAOYSA-N 0 3 291.398 3.412 20 30 CGEDHN C=C[C@H](COC)NC/C(C)=C\c1ccccc1COC ZINC001326198024 934958648 /nfs/dbraw/zinc/95/86/48/934958648.db2.gz WIWLUFBPRWFSKM-OOXMNIKJSA-N 0 3 275.392 3.027 20 30 CGEDHN CCN(Cc1cn2ccccc2c1C#N)C(C)(C)C ZINC001326515467 934986386 /nfs/dbraw/zinc/98/63/86/934986386.db2.gz BAKPHNZVRWOEOZ-UHFFFAOYSA-N 0 3 255.365 3.431 20 30 CGEDHN C#CCCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001326538690 934988027 /nfs/dbraw/zinc/98/80/27/934988027.db2.gz BZRXPDKTIDFAIF-VIFPVBQESA-N 0 3 257.255 3.101 20 30 CGEDHN CCCCCCCCCN1CCO[C@](C)(COC)C1 ZINC001473690927 937817352 /nfs/dbraw/zinc/81/73/52/937817352.db2.gz PLXJSQDDKFMTMZ-INIZCTEOSA-N 0 3 271.445 3.474 20 30 CGEDHN C#CCN(Cc1cc(Cl)c(O)c(OCC)c1)CC1CC1 ZINC001328216559 935124598 /nfs/dbraw/zinc/12/45/98/935124598.db2.gz WSJPUDKDSPWWKW-UHFFFAOYSA-N 0 3 293.794 3.290 20 30 CGEDHN N#CCOc1cccc(CNCc2cccc3c2CCC3)c1 ZINC001328710568 935161849 /nfs/dbraw/zinc/16/18/49/935161849.db2.gz RDRWDVGKHKQXKJ-UHFFFAOYSA-N 0 3 292.382 3.367 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H](CC)C(C)C ZINC001328787644 935168766 /nfs/dbraw/zinc/16/87/66/935168766.db2.gz WUOAIKPOXCIXMI-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCC(N(C)C/C=C\Cl)CC2)C1 ZINC001331053729 935346483 /nfs/dbraw/zinc/34/64/83/935346483.db2.gz LWIZJYIYUFTYJD-DAXSKMNVSA-N 0 3 296.842 3.018 20 30 CGEDHN C#CCOCCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC001333571608 935547992 /nfs/dbraw/zinc/54/79/92/935547992.db2.gz JMRCYDYBZSRWGO-OAHLLOKOSA-N 0 3 263.768 3.127 20 30 CGEDHN C=C[C@@H](C)NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC001474067462 937838631 /nfs/dbraw/zinc/83/86/31/937838631.db2.gz VHJYXMKKNKTBAY-LLVKDONJSA-N 0 3 275.783 3.498 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001480743235 937943352 /nfs/dbraw/zinc/94/33/52/937943352.db2.gz XNGMPCUKCNAXAZ-IAGOWNOFSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@H](C)C2)CCCC1 ZINC001495190572 937958443 /nfs/dbraw/zinc/95/84/43/937958443.db2.gz BGHBNSYXSAPZHO-JSGCOSHPSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCC1(C(=O)N(C)CCN(C)CC=C(C)C)CCCC1 ZINC001496847283 937964252 /nfs/dbraw/zinc/96/42/52/937964252.db2.gz PYPWYWPHYFTUIU-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001499554874 937973616 /nfs/dbraw/zinc/97/36/16/937973616.db2.gz JRDOOICTHPXLFV-YESZJQIVSA-N 0 3 292.467 3.310 20 30 CGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)/C(C)=C\CC ZINC001501660927 937980018 /nfs/dbraw/zinc/98/00/18/937980018.db2.gz FOGHBLGGTZSYHH-YBEGLDIGSA-N 0 3 298.430 3.114 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 ZINC001505455862 937985694 /nfs/dbraw/zinc/98/56/94/937985694.db2.gz JYIHHWDIMZWTQJ-HNNXBMFYSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C[C@H](C)CC)C(C)C ZINC001507786807 937996994 /nfs/dbraw/zinc/99/69/94/937996994.db2.gz FJZTWCIYPHLJFB-OAHLLOKOSA-N 0 3 268.445 3.168 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CC2(C1)CCCCC2 ZINC001517045794 938010921 /nfs/dbraw/zinc/01/09/21/938010921.db2.gz IIZAYEGPSMBNSX-CQSZACIVSA-N 0 3 285.391 3.440 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCCC1(C)C ZINC001517046636 938011002 /nfs/dbraw/zinc/01/10/02/938011002.db2.gz ORQSTFIRKJLMGJ-QWRGUYRKSA-N 0 3 293.798 3.466 20 30 CGEDHN CCCCSCCC(=O)C(C#N)c1ncc(F)cc1F ZINC001518062696 938014121 /nfs/dbraw/zinc/01/41/21/938014121.db2.gz BIWOELIJYGONOZ-LLVKDONJSA-N 0 3 298.358 3.459 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(C)CCCCC1 ZINC001520036377 938022581 /nfs/dbraw/zinc/02/25/81/938022581.db2.gz MGMJTBYKWJMMNI-GFCCVEGCSA-N 0 3 259.353 3.050 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001520447908 938025788 /nfs/dbraw/zinc/02/57/88/938025788.db2.gz DBOHYGPAQGMDMK-USWWRNFRSA-N 0 3 278.302 3.362 20 30 CGEDHN C=CCC1(NC(=O)c2cc3c(s2)CNCC3)CCCC1 ZINC001522007791 938035585 /nfs/dbraw/zinc/03/55/85/938035585.db2.gz BZJRJPOSKQFUHY-UHFFFAOYSA-N 0 3 290.432 3.013 20 30 CGEDHN Cc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1C#N ZINC001561002921 938288791 /nfs/dbraw/zinc/28/87/91/938288791.db2.gz POXZFNPOVZTTNU-UHFFFAOYSA-N 0 3 270.307 3.001 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNC[C@H](F)CC ZINC001566939948 961057689 /nfs/dbraw/zinc/05/76/89/961057689.db2.gz SBQFZDHZFDTFKD-CABCVRRESA-N 0 3 298.446 3.308 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001567201830 961141480 /nfs/dbraw/zinc/14/14/80/961141480.db2.gz JAUBXNXHRZNILE-JKSUJKDBSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001567366193 961313178 /nfs/dbraw/zinc/31/31/78/961313178.db2.gz COKAABWEAFBHRJ-OAHLLOKOSA-N 0 3 292.448 3.103 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccoc1C1CC1 ZINC001568671349 961630349 /nfs/dbraw/zinc/63/03/49/961630349.db2.gz PCMWXLRIFIKTSV-NSHDSACASA-N 0 3 296.798 3.008 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCN1CC/C=C\c1ccccc1 ZINC001569350698 961744426 /nfs/dbraw/zinc/74/44/26/961744426.db2.gz OPCJDIJITDIDFS-RLGIIYIFSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001569386330 961747979 /nfs/dbraw/zinc/74/79/79/961747979.db2.gz MARJAABZIZSHJF-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CCC2CC2)CCCC1 ZINC001569387404 961749867 /nfs/dbraw/zinc/74/98/67/961749867.db2.gz LYVBTFXBUZXLIP-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C#CCN1CCC(C)(CNC(=O)[C@](C)(CC)CCC)CC1 ZINC001569706427 961826149 /nfs/dbraw/zinc/82/61/49/961826149.db2.gz KZZLOFXYLUUCHD-GOSISDBHSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2sccc2C)C1 ZINC001569708731 961827892 /nfs/dbraw/zinc/82/78/92/961827892.db2.gz HONXJAJGNOJWPV-INIZCTEOSA-N 0 3 292.448 3.074 20 30 CGEDHN C=CCCCC(=O)NCC1(C)CCN(C[C@H](F)CC)CC1 ZINC001569704372 961833508 /nfs/dbraw/zinc/83/35/08/961833508.db2.gz LIHGGVWBALWPNK-OAHLLOKOSA-N 0 3 298.446 3.309 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001570006710 961882563 /nfs/dbraw/zinc/88/25/63/961882563.db2.gz SDYKBERCVQRVKT-AWEZNQCLSA-N 0 3 298.858 3.147 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001570181025 961911106 /nfs/dbraw/zinc/91/11/06/961911106.db2.gz BHIGPEPOQVQZNT-GJZGRUSLSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001570750413 962075633 /nfs/dbraw/zinc/07/56/33/962075633.db2.gz RPICNXOTFGHVRA-RDJZCZTQSA-N 0 3 288.435 3.193 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)/C=C\C(C)(C)C ZINC001571236048 962128800 /nfs/dbraw/zinc/12/88/00/962128800.db2.gz DWVJPKLDUSUVJQ-LJTDUEICSA-N 0 3 286.847 3.216 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@@H]1C ZINC001571525675 962181434 /nfs/dbraw/zinc/18/14/34/962181434.db2.gz VQIYWUMNRFBYKK-JKSUJKDBSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C2CCC2)cc1 ZINC001574857607 962318039 /nfs/dbraw/zinc/31/80/39/962318039.db2.gz XCBJFRVDMJEMFB-HNNXBMFYSA-N 0 3 292.810 3.040 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001574902881 962333650 /nfs/dbraw/zinc/33/36/50/962333650.db2.gz IKGHHENGQXRUDD-FPCVCCKLSA-N 0 3 278.440 3.145 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc(C)cc(=O)[nH]1 ZINC001577430029 962546364 /nfs/dbraw/zinc/54/63/64/962546364.db2.gz JNQPAARWQZNJIV-ZDUSSCGKSA-N 0 3 293.411 3.112 20 30 CGEDHN C=C1CCC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001584065008 962889281 /nfs/dbraw/zinc/88/92/81/962889281.db2.gz LBZMHGJVUNCMEP-KRWDZBQOSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCC[C@H](C)[NH2+]C1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588577280 963281659 /nfs/dbraw/zinc/28/16/59/963281659.db2.gz FLZHLJPPACGXBU-ZDUSSCGKSA-N 0 3 297.406 3.190 20 30 CGEDHN C=CCC[C@H](C)[NH2+]C1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588577280 963281670 /nfs/dbraw/zinc/28/16/70/963281670.db2.gz FLZHLJPPACGXBU-ZDUSSCGKSA-N 0 3 297.406 3.190 20 30 CGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1F)c1ccsc1 ZINC000337616859 214183114 /nfs/dbraw/zinc/18/31/14/214183114.db2.gz BLENVNJNGFGQKF-OAHLLOKOSA-N 0 3 289.379 3.474 20 30 CGEDHN COc1cc(CN2CCC(C3CC3)CC2)ccc1C#N ZINC000590052760 346823956 /nfs/dbraw/zinc/82/39/56/346823956.db2.gz KTPPGYAMWVPFPZ-UHFFFAOYSA-N 0 3 270.376 3.189 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nccn2C(F)F)C1 ZINC000651689922 398269697 /nfs/dbraw/zinc/26/96/97/398269697.db2.gz JEDKONBRYREUQZ-MNOVXSKESA-N 0 3 255.312 3.113 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cn3ccsc3n2)C1 ZINC000651690384 398269762 /nfs/dbraw/zinc/26/97/62/398269762.db2.gz CKZKHHNUAYSSIC-RYUDHWBXSA-N 0 3 261.394 3.230 20 30 CGEDHN Cn1nc(CNC2CCC(C)(C#N)CC2)c2ccccc21 ZINC000590649741 346858901 /nfs/dbraw/zinc/85/89/01/346858901.db2.gz FGXJLTRAILKXLF-UHFFFAOYSA-N 0 3 282.391 3.135 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2ccncc2OC)C1 ZINC000651780544 398286791 /nfs/dbraw/zinc/28/67/91/398286791.db2.gz LXLUAXSJRKVWFR-BFHYXJOUSA-N 0 3 260.381 3.486 20 30 CGEDHN COCC[C@H](NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000337945977 214326148 /nfs/dbraw/zinc/32/61/48/214326148.db2.gz FLKBNZYAXATBLG-HNNXBMFYSA-N 0 3 278.371 3.238 20 30 CGEDHN C=CCOc1ccc(CN2CCC([C@@H](C)CO)CC2)cc1 ZINC000651956267 398312065 /nfs/dbraw/zinc/31/20/65/398312065.db2.gz RRFRWRNFOUPSJI-HNNXBMFYSA-N 0 3 289.419 3.092 20 30 CGEDHN C=CCCCCCN(C)[C@@H]1CCCc2c1cnn2C ZINC000187694608 542246539 /nfs/dbraw/zinc/24/65/39/542246539.db2.gz GJLFSMTZKNLQGN-OAHLLOKOSA-N 0 3 261.413 3.476 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@H](C3CCC3)C2)c1 ZINC000591061655 346897516 /nfs/dbraw/zinc/89/75/16/346897516.db2.gz CBUHDBPZWFHQQV-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](C2CCC2)C1 ZINC000591063389 346898211 /nfs/dbraw/zinc/89/82/11/346898211.db2.gz UKOBZVLHTXCXDQ-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1CC1(F)F ZINC000591255918 346912417 /nfs/dbraw/zinc/91/24/17/346912417.db2.gz GQDLYHCYMIORCR-OPQQBVKSSA-N 0 3 250.292 3.253 20 30 CGEDHN N#CC1(CN[C@H]2CCCc3ccccc3C2)CCC1 ZINC000591357663 346917103 /nfs/dbraw/zinc/91/71/03/346917103.db2.gz BWEMHVFFUJBUAC-INIZCTEOSA-N 0 3 254.377 3.217 20 30 CGEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)COC)cc1OC ZINC000623335655 349780708 /nfs/dbraw/zinc/78/07/08/349780708.db2.gz XGNCXTJPUSYTAT-NSHDSACASA-N 0 3 299.798 3.038 20 30 CGEDHN C=CCC[C@@H](CC)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623233290 349769450 /nfs/dbraw/zinc/76/94/50/349769450.db2.gz UYODZZPEMOWBDC-GDBMZVCRSA-N 0 3 272.392 3.034 20 30 CGEDHN CN(CCc1ccccc1)Cc1ccc(C#N)s1 ZINC000126462065 187240842 /nfs/dbraw/zinc/24/08/42/187240842.db2.gz CTGMQAGGZAFLGS-UHFFFAOYSA-N 0 3 256.374 3.294 20 30 CGEDHN C=C(C)CCNCc1cc(C)c(Br)cn1 ZINC000623538510 349829250 /nfs/dbraw/zinc/82/92/50/349829250.db2.gz HFYNCZKFZQWSIP-UHFFFAOYSA-N 0 3 269.186 3.208 20 30 CGEDHN C=CC(C)(C)CCNCc1nc2c(s1)CCC2 ZINC000623593061 349843262 /nfs/dbraw/zinc/84/32/62/349843262.db2.gz RINPLUZZRSDAMF-UHFFFAOYSA-N 0 3 250.411 3.324 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC000592069006 346958934 /nfs/dbraw/zinc/95/89/34/346958934.db2.gz COLYZIWXUNBFQF-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN N#Cc1cnccc1CN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000592120665 346964148 /nfs/dbraw/zinc/96/41/48/346964148.db2.gz ZFDGBJHUXLTPKQ-LPHOPBHVSA-N 0 3 291.398 3.454 20 30 CGEDHN N#Cc1cnccc1CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000592120667 346964231 /nfs/dbraw/zinc/96/42/31/346964231.db2.gz ZFDGBJHUXLTPKQ-QFBILLFUSA-N 0 3 291.398 3.454 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CO1 ZINC000592399624 346984442 /nfs/dbraw/zinc/98/44/42/346984442.db2.gz OTKXMVKRWADACH-SRCQZFHVSA-N 0 3 270.376 3.093 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000593035453 347030284 /nfs/dbraw/zinc/03/02/84/347030284.db2.gz MHCOMMWBKUCWFW-CQSZACIVSA-N 0 3 285.347 3.088 20 30 CGEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1CC1(C#N)CC1 ZINC000593048851 347032635 /nfs/dbraw/zinc/03/26/35/347032635.db2.gz KDBXFLXBYNYQBN-GVDBMIGSSA-N 0 3 297.446 3.273 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593118704 347042354 /nfs/dbraw/zinc/04/23/54/347042354.db2.gz RJMIJANRAGDWCN-BXUZGUMPSA-N 0 3 262.303 3.350 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623959154 349927807 /nfs/dbraw/zinc/92/78/07/349927807.db2.gz IMCXXFZOHIGAPY-MWLCHTKSSA-N 0 3 291.288 3.432 20 30 CGEDHN C#CCN(C(=O)c1cccc(CN(C)C)c1)C1CCCCC1 ZINC000073105457 345430985 /nfs/dbraw/zinc/43/09/85/345430985.db2.gz AGJAPXUEHQMNIZ-UHFFFAOYSA-N 0 3 298.430 3.156 20 30 CGEDHN CC(C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(F)(F)F ZINC000074720897 345479464 /nfs/dbraw/zinc/47/94/64/345479464.db2.gz YPJVWJACLDRXBS-MRVPVSSYSA-N 0 3 287.285 3.252 20 30 CGEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)c(C)c1 ZINC000076763364 345549255 /nfs/dbraw/zinc/54/92/55/345549255.db2.gz UGMQOJFMYKTJTD-CYBMUJFWSA-N 0 3 286.356 3.259 20 30 CGEDHN CC[C@@H]1C[C@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000080656095 345681880 /nfs/dbraw/zinc/68/18/80/345681880.db2.gz JXJUHIWZVRAJKN-SWLSCSKDSA-N 0 3 296.374 3.229 20 30 CGEDHN C=CCCC[C@@H](C)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000091593854 345818838 /nfs/dbraw/zinc/81/88/38/345818838.db2.gz LGECYZXPUSKIAO-YPMHNXCESA-N 0 3 279.346 3.366 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(Cl)c1 ZINC000162926846 232254788 /nfs/dbraw/zinc/25/47/88/232254788.db2.gz JRVZQCPVJCELNE-STQMWFEESA-N 0 3 260.768 3.444 20 30 CGEDHN C[C@@H](CCO)N(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000093303961 345874955 /nfs/dbraw/zinc/87/49/55/345874955.db2.gz JWAGKORYQDVALT-INIZCTEOSA-N 0 3 294.398 3.331 20 30 CGEDHN N#Cc1cccc(CNCCOC2CCCCCC2)c1 ZINC000118454089 345989150 /nfs/dbraw/zinc/98/91/50/345989150.db2.gz WYUSWCHLUUSUDV-UHFFFAOYSA-N 0 3 272.392 3.387 20 30 CGEDHN COC[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000135273172 346087080 /nfs/dbraw/zinc/08/70/80/346087080.db2.gz HBNBCFDWFXAVRH-HNNXBMFYSA-N 0 3 272.392 3.099 20 30 CGEDHN N#Cc1cc(F)ccc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177547226 232370293 /nfs/dbraw/zinc/37/02/93/232370293.db2.gz NJPLFUAWVQRCQT-CHWSQXEVSA-N 0 3 258.340 3.319 20 30 CGEDHN CCCCOCCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000040506821 260286673 /nfs/dbraw/zinc/28/66/73/260286673.db2.gz ZFKZDFZGAJXDLS-AWEZNQCLSA-N 0 3 276.380 3.056 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H]3CCCC[C@@H]32)c1F ZINC000223528026 346300562 /nfs/dbraw/zinc/30/05/62/346300562.db2.gz CKCRHUKYAHCYOU-WFASDCNBSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CC(C)(C)CC[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000624037113 349951420 /nfs/dbraw/zinc/95/14/20/349951420.db2.gz MOTVFHMVCDJRCO-CQSZACIVSA-N 0 3 270.380 3.086 20 30 CGEDHN C=CC(C)(C)CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000624037113 349951422 /nfs/dbraw/zinc/95/14/22/349951422.db2.gz MOTVFHMVCDJRCO-CQSZACIVSA-N 0 3 270.380 3.086 20 30 CGEDHN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000250204437 346384703 /nfs/dbraw/zinc/38/47/03/346384703.db2.gz BTWYGGAGESKANQ-LLVKDONJSA-N 0 3 297.324 3.107 20 30 CGEDHN CN(CCCOCc1ccccc1)CCC(C)(C)C#N ZINC000281233612 346418366 /nfs/dbraw/zinc/41/83/66/346418366.db2.gz CIDXWPTZDYPPNM-UHFFFAOYSA-N 0 3 274.408 3.465 20 30 CGEDHN C=CCOCCN(C)Cc1ccccc1SC ZINC000294280972 346432722 /nfs/dbraw/zinc/43/27/22/346432722.db2.gz WBFCQPFXXMAONW-UHFFFAOYSA-N 0 3 251.395 3.043 20 30 CGEDHN N#Cc1ncccc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309581800 346469733 /nfs/dbraw/zinc/46/97/33/346469733.db2.gz LHNAZTRKLOGDEJ-MRXNPFEDSA-N 0 3 292.386 3.030 20 30 CGEDHN C=CCOCCN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000312674049 346477680 /nfs/dbraw/zinc/47/76/80/346477680.db2.gz YCOCIKBHSCGQOY-HNNXBMFYSA-N 0 3 278.352 3.228 20 30 CGEDHN CC(C)(CCC#N)CNCc1csc([N+](=O)[O-])c1 ZINC000342274966 346504925 /nfs/dbraw/zinc/50/49/25/346504925.db2.gz ILDVKAVVYVXLDW-UHFFFAOYSA-N 0 3 267.354 3.076 20 30 CGEDHN CC(C)(C)C[C@@H]1C[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000593660260 347100875 /nfs/dbraw/zinc/10/08/75/347100875.db2.gz GDJSXQNPLIKCLB-DZGCQCFKSA-N 0 3 282.391 3.120 20 30 CGEDHN COC1(CNCC2(C#N)CCCC2)CCCCC1 ZINC000593654595 347101412 /nfs/dbraw/zinc/10/14/12/347101412.db2.gz JWTGVXARFSLZAO-UHFFFAOYSA-N 0 3 250.386 3.009 20 30 CGEDHN OCCN(CC#Cc1ccccc1Cl)C1CCCCC1 ZINC000536042053 346649036 /nfs/dbraw/zinc/64/90/36/346649036.db2.gz PMEIRVPWKZWUKO-UHFFFAOYSA-N 0 3 291.822 3.319 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](c2ccccc2)C2CCCC2)C1=O ZINC000499537914 346634292 /nfs/dbraw/zinc/63/42/92/346634292.db2.gz KQMMDRAYQKCSSO-ROUUACIJSA-N 0 3 298.430 3.294 20 30 CGEDHN COc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)cn1 ZINC000593959269 347123643 /nfs/dbraw/zinc/12/36/43/347123643.db2.gz JFEDNVNIOVOYIY-AWEZNQCLSA-N 0 3 295.386 3.025 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000589278949 346792201 /nfs/dbraw/zinc/79/22/01/346792201.db2.gz BYZQKSNRJVCBPE-SFHVURJKSA-N 0 3 284.403 3.396 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCC(F)(F)C1)CC2 ZINC000589342649 346794266 /nfs/dbraw/zinc/79/42/66/346794266.db2.gz AJMATKLEZOHTBU-JSGCOSHPSA-N 0 3 262.303 3.323 20 30 CGEDHN C[C@@H]1CC[C@H](CNC2(c3ccc(C#N)cc3)CCC2)O1 ZINC000594033421 347141106 /nfs/dbraw/zinc/14/11/06/347141106.db2.gz PRGHPLGORGEKQN-CZUORRHYSA-N 0 3 270.376 3.095 20 30 CGEDHN C[C@@H](NCc1nc(C#N)cs1)C1CCC(F)(F)CC1 ZINC000594043787 347143433 /nfs/dbraw/zinc/14/34/33/347143433.db2.gz OSBLCVAMMQFNKD-SECBINFHSA-N 0 3 285.363 3.318 20 30 CGEDHN Cc1noc(C)c1[C@H](C)CNCc1ccc(C#N)s1 ZINC000128467505 187371867 /nfs/dbraw/zinc/37/18/67/187371867.db2.gz RBQXZJUDVUEETI-SECBINFHSA-N 0 3 275.377 3.118 20 30 CGEDHN CCC(C)(C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000594594751 347198491 /nfs/dbraw/zinc/19/84/91/347198491.db2.gz QXEQIPSCCYCQSD-UHFFFAOYSA-N 0 3 275.371 3.008 20 30 CGEDHN C=CCCC[C@H](C)NCc1cc(C(=O)OC)oc1C ZINC000594607947 347202094 /nfs/dbraw/zinc/20/20/94/347202094.db2.gz WDZWRSKMCSSUKO-NSHDSACASA-N 0 3 265.353 3.209 20 30 CGEDHN CCc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1CC ZINC000594450349 347175678 /nfs/dbraw/zinc/17/56/78/347175678.db2.gz YZQZVTNAVMGINC-INIZCTEOSA-N 0 3 287.407 3.161 20 30 CGEDHN C[C@H]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)CS1 ZINC000594497603 347179585 /nfs/dbraw/zinc/17/95/85/347179585.db2.gz IKRXAFCQBQRSKC-WFASDCNBSA-N 0 3 272.417 3.421 20 30 CGEDHN C=C[C@@H](C)N[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594501911 347180639 /nfs/dbraw/zinc/18/06/39/347180639.db2.gz FHCBBEZQQDZEJO-ABAIWWIYSA-N 0 3 259.349 3.015 20 30 CGEDHN CC(C)(C)OCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594502865 347180745 /nfs/dbraw/zinc/18/07/45/347180745.db2.gz RKKWDGGVRYPKPG-UHFFFAOYSA-N 0 3 274.408 3.392 20 30 CGEDHN COC(=O)c1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)CCC2 ZINC000594504641 347180911 /nfs/dbraw/zinc/18/09/11/347180911.db2.gz QOYDUXPHFVHDMO-INIZCTEOSA-N 0 3 298.386 3.134 20 30 CGEDHN CC1(C)[C@@H](CNCc2ccc(C#N)s2)C1(F)F ZINC000594991854 347251056 /nfs/dbraw/zinc/25/10/56/347251056.db2.gz LKWGDINTDXELQM-SNVBAGLBSA-N 0 3 256.321 3.001 20 30 CGEDHN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccc(C#N)cc1 ZINC000594733233 347215175 /nfs/dbraw/zinc/21/51/75/347215175.db2.gz ZTCIASZYLPFSLO-WWGRRREGSA-N 0 3 258.365 3.166 20 30 CGEDHN CC1(C)SC[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594939744 347236253 /nfs/dbraw/zinc/23/62/53/347236253.db2.gz DPQJJWCNMISCDY-CQSZACIVSA-N 0 3 272.417 3.225 20 30 CGEDHN Cc1ccc(CN(C)CCc2ccc(C#N)cc2)o1 ZINC000595292036 347287815 /nfs/dbraw/zinc/28/78/15/347287815.db2.gz OEUFFVKNRPSVNR-UHFFFAOYSA-N 0 3 254.333 3.134 20 30 CGEDHN COCCN(CCC1CCC1)Cc1ccc(C#N)cc1 ZINC000595296684 347288025 /nfs/dbraw/zinc/28/80/25/347288025.db2.gz HATQHZOWDMLWAM-UHFFFAOYSA-N 0 3 272.392 3.197 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(C[C@H]2CCCCC2(C)C)CC1 ZINC000595399324 347298392 /nfs/dbraw/zinc/29/83/92/347298392.db2.gz VJXUTQSWJNFRQN-SJORKVTESA-N 0 3 291.483 3.369 20 30 CGEDHN C=C(C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595043946 347267866 /nfs/dbraw/zinc/26/78/66/347267866.db2.gz ZTRDYCOSLMPXKF-LLVKDONJSA-N 0 3 264.325 3.220 20 30 CGEDHN CC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000595056005 347271798 /nfs/dbraw/zinc/27/17/98/347271798.db2.gz OMEVLZMNGPVGPK-MRXNPFEDSA-N 0 3 283.350 3.376 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000595059811 347273896 /nfs/dbraw/zinc/27/38/96/347273896.db2.gz PFDDDARQCACJII-LBPRGKRZSA-N 0 3 281.421 3.361 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC000595092119 347280985 /nfs/dbraw/zinc/28/09/85/347280985.db2.gz XGKFLGMJPBPGLO-HUUCEWRRSA-N 0 3 276.424 3.398 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C1CCCC1 ZINC000595093362 347282227 /nfs/dbraw/zinc/28/22/27/347282227.db2.gz AGOXYODETUQZQJ-SUMWQHHRSA-N 0 3 272.392 3.414 20 30 CGEDHN COc1cccc([C@@H](C)N2CCC[C@@H](CC#N)C2)c1 ZINC000595615414 347327548 /nfs/dbraw/zinc/32/75/48/347327548.db2.gz QTBNUHAAHKPVJJ-KGLIPLIRSA-N 0 3 258.365 3.382 20 30 CGEDHN N#CC[C@H]1CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000595613374 347327929 /nfs/dbraw/zinc/32/79/29/347327929.db2.gz CEEKRHSHGFMSKH-MLGOLLRUSA-N 0 3 258.340 3.439 20 30 CGEDHN CC(C)(C)OC(=O)CCCCN1CCC[C@@H](CC#N)C1 ZINC000595620255 347328693 /nfs/dbraw/zinc/32/86/93/347328693.db2.gz LEAPIWMBJJSHHO-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN CN1CCN([C@H](C#N)c2ccccc2)CC12CCCCC2 ZINC000595510051 347313436 /nfs/dbraw/zinc/31/34/36/347313436.db2.gz JMNQXPOOIOJEJY-QGZVFWFLSA-N 0 3 283.419 3.202 20 30 CGEDHN N#Cc1ccc(CCN2CCOCC23CCCCC3)cc1 ZINC000595522185 347315070 /nfs/dbraw/zinc/31/50/70/347315070.db2.gz ZHQIGDMAODFRKT-UHFFFAOYSA-N 0 3 284.403 3.136 20 30 CGEDHN CN(CCN1CCCCC1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595562272 347319578 /nfs/dbraw/zinc/31/95/78/347319578.db2.gz HKBOBVFSFUVMSG-MRXNPFEDSA-N 0 3 291.826 3.322 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cc(-n3ccnc3)cs2)C1 ZINC000597178245 347545350 /nfs/dbraw/zinc/54/53/50/347545350.db2.gz WPMZSHPFGDPONC-CYBMUJFWSA-N 0 3 286.404 3.059 20 30 CGEDHN CC[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](C)C#N ZINC000597082465 347534712 /nfs/dbraw/zinc/53/47/12/347534712.db2.gz KONLHFKTXKRWKN-FZMZJTMJSA-N 0 3 250.773 3.410 20 30 CGEDHN CC(C)OC1CC(NCC2(C#N)CCCCC2)C1 ZINC000597224378 347556620 /nfs/dbraw/zinc/55/66/20/347556620.db2.gz HIUTXHWIMHQSCO-UHFFFAOYSA-N 0 3 250.386 3.006 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000597964452 347610062 /nfs/dbraw/zinc/61/00/62/347610062.db2.gz YGBQTVYANSYJTP-QMMMGPOBSA-N 0 3 283.158 3.038 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(C(C)(F)F)cc1 ZINC000598727163 347683481 /nfs/dbraw/zinc/68/34/81/347683481.db2.gz DIKYPSAOBJJIFG-CQSZACIVSA-N 0 3 296.361 3.189 20 30 CGEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CCCC2)o1 ZINC000599012794 347706041 /nfs/dbraw/zinc/70/60/41/347706041.db2.gz CTSPPVMDLJDNNT-UHFFFAOYSA-N 0 3 272.270 3.364 20 30 CGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598589139 347667860 /nfs/dbraw/zinc/66/78/60/347667860.db2.gz RAFOYFRAOCPIRG-AAEUAGOBSA-N 0 3 295.452 3.054 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)cc1Cl ZINC000598600170 347669889 /nfs/dbraw/zinc/66/98/89/347669889.db2.gz HBRZRLWMRZEAFZ-PWSUYJOCSA-N 0 3 298.789 3.430 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000598628622 347672931 /nfs/dbraw/zinc/67/29/31/347672931.db2.gz QEPSVIXNXFUQSD-YJBOKZPZSA-N 0 3 286.419 3.202 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2ccccc2F)CCC1 ZINC000598626422 347673204 /nfs/dbraw/zinc/67/32/04/347673204.db2.gz WCAVYUSMYVKHFX-CYBMUJFWSA-N 0 3 290.382 3.095 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599672164 347762949 /nfs/dbraw/zinc/76/29/49/347762949.db2.gz BQFASEGMTCKYLM-UHFFFAOYSA-N 0 3 285.347 3.233 20 30 CGEDHN Cc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1C#N ZINC000599299520 347733497 /nfs/dbraw/zinc/73/34/97/347733497.db2.gz GHQCXFBHAWDRCK-CHWSQXEVSA-N 0 3 260.406 3.193 20 30 CGEDHN Cc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1C#N ZINC000599304052 347733829 /nfs/dbraw/zinc/73/38/29/347733829.db2.gz PKBNOTVFAFTWGN-QWHCGFSZSA-N 0 3 260.406 3.193 20 30 CGEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1Cl ZINC000599311442 347734201 /nfs/dbraw/zinc/73/42/01/347734201.db2.gz IEDLPNFKKQUJCC-NWDGAFQWSA-N 0 3 278.783 3.045 20 30 CGEDHN CSc1ccccc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599399021 347742284 /nfs/dbraw/zinc/74/22/84/347742284.db2.gz IUWAZSNLMSLJSR-OLZOCXBDSA-N 0 3 290.432 3.114 20 30 CGEDHN Cc1ccc(CN(Cc2cnn(C)c2)CC(C)C)cc1C#N ZINC000599437835 347745645 /nfs/dbraw/zinc/74/56/45/347745645.db2.gz RXLAUIROTTZXRU-UHFFFAOYSA-N 0 3 296.418 3.258 20 30 CGEDHN N#Cc1csc(CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000600190192 347791715 /nfs/dbraw/zinc/79/17/15/347791715.db2.gz MYBWRZMLRFARRP-NEPJUHHUSA-N 0 3 264.419 3.090 20 30 CGEDHN C[C@@H](C#N)n1cc(-c2cc(CN3CCCC3)ccc2F)cn1 ZINC000600775937 347833580 /nfs/dbraw/zinc/83/35/80/347833580.db2.gz DQYGSHJOOBGYDO-ZDUSSCGKSA-N 0 3 298.365 3.370 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000601379262 347893464 /nfs/dbraw/zinc/89/34/64/347893464.db2.gz IBIRPMFIAKWWOU-UHFFFAOYSA-N 0 3 297.402 3.079 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCC12CC2 ZINC000601704303 347908354 /nfs/dbraw/zinc/90/83/54/347908354.db2.gz JPHZTUXXTSYDMO-CVEARBPZSA-N 0 3 282.387 3.208 20 30 CGEDHN C[C@@H](CCC#N)CN(C)Cc1ccc(F)cc1F ZINC000602436852 347957986 /nfs/dbraw/zinc/95/79/86/347957986.db2.gz RQQDJJBBTSQPCI-NSHDSACASA-N 0 3 252.308 3.336 20 30 CGEDHN CC[C@@](C)(CN(Cc1ccc(C#N)cc1)C1CC1)OC ZINC000602442468 347958758 /nfs/dbraw/zinc/95/87/58/347958758.db2.gz YWRXYGRXPFEYRN-KRWDZBQOSA-N 0 3 272.392 3.338 20 30 CGEDHN C[C@@H]1CCN(Cc2cccc(C#N)n2)[C@H]2CCCC[C@H]12 ZINC000602444336 347959083 /nfs/dbraw/zinc/95/90/83/347959083.db2.gz GPAIOEFFZWMLBW-XYPHTWIQSA-N 0 3 269.392 3.354 20 30 CGEDHN C[C@H](CCC#N)CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000602447850 347959930 /nfs/dbraw/zinc/95/99/30/347959930.db2.gz GUQCQTHVSHAXNC-GDBMZVCRSA-N 0 3 276.380 3.200 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC000602448388 347960119 /nfs/dbraw/zinc/96/01/19/347960119.db2.gz GQFFRFNEBJLPPQ-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1cccc(C#N)n1 ZINC000602473184 347963589 /nfs/dbraw/zinc/96/35/89/347963589.db2.gz LNQCXSLLUMWZGL-HOCLYGCPSA-N 0 3 277.371 3.331 20 30 CGEDHN CCC[C@H](C)[C@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602486981 347967748 /nfs/dbraw/zinc/96/77/48/347967748.db2.gz XQBRIFISKLQUQF-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)c1csc(CNC[C@H](C)CCC#N)n1 ZINC000602575589 347986287 /nfs/dbraw/zinc/98/62/87/347986287.db2.gz JCORHIWUSGKGIU-LLVKDONJSA-N 0 3 251.399 3.296 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)n1)C1CCCC1 ZINC000602577117 347986698 /nfs/dbraw/zinc/98/66/98/347986698.db2.gz SFKLSAQHXXUKFJ-UHFFFAOYSA-N 0 3 257.381 3.259 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)CCc1c[nH]c2ccccc12 ZINC000602608046 347992749 /nfs/dbraw/zinc/99/27/49/347992749.db2.gz OINURXCBNMURBF-QWHCGFSZSA-N 0 3 255.365 3.238 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCC(C)(C)C#N)C12CCC2 ZINC000602608190 347993044 /nfs/dbraw/zinc/99/30/44/347993044.db2.gz QVZFNRVWARONLU-STQMWFEESA-N 0 3 264.413 3.252 20 30 CGEDHN C[C@@H](CCC#N)CN1CCC(Oc2ncccc2F)CC1 ZINC000602638831 347998513 /nfs/dbraw/zinc/99/85/13/347998513.db2.gz XOSUELSETDATEB-ZDUSSCGKSA-N 0 3 291.370 3.004 20 30 CGEDHN CC(C)(C)[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602645235 347999919 /nfs/dbraw/zinc/99/99/19/347999919.db2.gz QOPYYEZIQGTNTE-ZDUSSCGKSA-N 0 3 257.381 3.211 20 30 CGEDHN C[C@@H](CCC#N)CN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000602712962 348015886 /nfs/dbraw/zinc/01/58/86/348015886.db2.gz WWIJJBLYUOZWNL-LSDHHAIUSA-N 0 3 264.413 3.350 20 30 CGEDHN COc1cc(C[C@@H](C)NCC2(C#N)CCCCC2)ccn1 ZINC000602719281 348016487 /nfs/dbraw/zinc/01/64/87/348016487.db2.gz NZQSQEIJHNABJQ-CQSZACIVSA-N 0 3 287.407 3.085 20 30 CGEDHN C=CCCC(C)(C)CNCc1cccc(C(=O)OCC)n1 ZINC000602735197 348021898 /nfs/dbraw/zinc/02/18/98/348021898.db2.gz SQIRIFMPIHGMNX-UHFFFAOYSA-N 0 3 290.407 3.340 20 30 CGEDHN N#Cc1cccc(CNCCCc2cccc(Cl)c2)n1 ZINC000602544612 347978896 /nfs/dbraw/zinc/97/88/96/347978896.db2.gz MZQBRVAZUDXGEV-UHFFFAOYSA-N 0 3 285.778 3.329 20 30 CGEDHN N#Cc1cccc(CNCC2(c3cccc(Cl)c3)CC2)n1 ZINC000602551385 347980877 /nfs/dbraw/zinc/98/08/77/347980877.db2.gz CSRHJDUBMRNQON-UHFFFAOYSA-N 0 3 297.789 3.428 20 30 CGEDHN N#CC1CCC(NCc2nc(C(F)(F)F)cs2)CC1 ZINC000602557770 347981348 /nfs/dbraw/zinc/98/13/48/347981348.db2.gz IIJNGFADMIXXJY-UHFFFAOYSA-N 0 3 289.326 3.334 20 30 CGEDHN C[C@H](CCC#N)CNC1(c2nccs2)CCCC1 ZINC000602556189 347981612 /nfs/dbraw/zinc/98/16/12/347981612.db2.gz JOSPHELZUCJLAW-GFCCVEGCSA-N 0 3 263.410 3.442 20 30 CGEDHN C[C@@]1(c2ccc(F)cc2)CCN(CC2(CC#N)CC2)C1 ZINC000602831170 348034800 /nfs/dbraw/zinc/03/48/00/348034800.db2.gz ZRYWQQHVTUIAKH-MRXNPFEDSA-N 0 3 272.367 3.483 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)[C@H]1OCCc2sccc21 ZINC000602843107 348035656 /nfs/dbraw/zinc/03/56/56/348035656.db2.gz ZFJIHRQODGYZQR-BXUZGUMPSA-N 0 3 276.405 3.034 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](c3cccnc3)C2)c1 ZINC000602857663 348037181 /nfs/dbraw/zinc/03/71/81/348037181.db2.gz XHKSHMVDCCXUDY-SFHVURJKSA-N 0 3 277.371 3.333 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](c3ccc4cccnc4n3)C2)C1 ZINC000602886209 348041005 /nfs/dbraw/zinc/04/10/05/348041005.db2.gz IIAXBJHKRGHEGT-BMFZPTHFSA-N 0 3 292.386 3.111 20 30 CGEDHN N#Cc1ccccc1NC1CCN(C[C@H]2CCCCO2)CC1 ZINC000602897344 348041792 /nfs/dbraw/zinc/04/17/92/348041792.db2.gz WJOPRJRAAFEWHZ-QGZVFWFLSA-N 0 3 299.418 3.004 20 30 CGEDHN Cc1ccnc(CN2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602906345 348042545 /nfs/dbraw/zinc/04/25/45/348042545.db2.gz FRTWEUURMDCOAZ-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN CN(CCCCOC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602979182 348050008 /nfs/dbraw/zinc/05/00/08/348050008.db2.gz ATEJOMYJCOYYHC-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN CC#CCN1CCC(CCc2ccc(OC)cc2)CC1 ZINC000607724056 348258331 /nfs/dbraw/zinc/25/83/31/348258331.db2.gz SUVMADIQEMHYQQ-UHFFFAOYSA-N 0 3 271.404 3.363 20 30 CGEDHN CCCC[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000347914770 282974661 /nfs/dbraw/zinc/97/46/61/282974661.db2.gz OXRIQWGEFVJFBY-DLBZAZTESA-N 0 3 299.418 3.033 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(CCC2CCCCC2)CC1 ZINC000610391142 348380558 /nfs/dbraw/zinc/38/05/58/348380558.db2.gz VSFMJGSEYLZCKS-QGZVFWFLSA-N 0 3 277.456 3.123 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000609920326 348358026 /nfs/dbraw/zinc/35/80/26/348358026.db2.gz GHYUXMYMPCWQMT-NEPJUHHUSA-N 0 3 299.399 3.162 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]2Cc2cccc(F)c2)ccn1 ZINC000610991673 348413904 /nfs/dbraw/zinc/41/39/04/348413904.db2.gz CGASTNFGNZHFBW-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccnc(C#N)c1 ZINC000610993188 348414800 /nfs/dbraw/zinc/41/48/00/348414800.db2.gz GONDKDSSWZQFJF-CJNGLKHVSA-N 0 3 295.361 3.470 20 30 CGEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccnc(C#N)c1 ZINC000610993186 348415313 /nfs/dbraw/zinc/41/53/13/348415313.db2.gz GONDKDSSWZQFJF-BBRMVZONSA-N 0 3 295.361 3.470 20 30 CGEDHN C[C@@H]1CCN(Cc2ccnc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000610991977 348415389 /nfs/dbraw/zinc/41/53/89/348415389.db2.gz NTUNLGVAYLBGAO-XYPHTWIQSA-N 0 3 269.392 3.354 20 30 CGEDHN N#Cc1cc(CNC2(c3ccccc3)CCC2)ccn1 ZINC000610994155 348416730 /nfs/dbraw/zinc/41/67/30/348416730.db2.gz OLLADTIFUQLJNA-UHFFFAOYSA-N 0 3 263.344 3.122 20 30 CGEDHN CC[C@H](Cc1ccccc1)N(C)Cc1ccnc(C#N)c1 ZINC000610993745 348416838 /nfs/dbraw/zinc/41/68/38/348416838.db2.gz GLZSPKLMPFCIPR-GOSISDBHSA-N 0 3 279.387 3.406 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)F)C1 ZINC000611180516 348426680 /nfs/dbraw/zinc/42/66/80/348426680.db2.gz YVTBJGGKLHQXQJ-GXFFZTMASA-N 0 3 250.292 3.206 20 30 CGEDHN Cc1cccc([C@H](C)NCc2ccnc(C#N)c2)c1C ZINC000611396246 348446514 /nfs/dbraw/zinc/44/65/14/348446514.db2.gz GONRDYADLCXEGT-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000611399441 348447120 /nfs/dbraw/zinc/44/71/20/348447120.db2.gz PFHXMFHXOPLAJM-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN C[C@@]1(C#N)CCCN(C[C@@H]2CCc3ccccc3C2)C1 ZINC000612165228 348499268 /nfs/dbraw/zinc/49/92/68/348499268.db2.gz LTJGMDTWAHFUJB-QAPCUYQASA-N 0 3 268.404 3.417 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174581 348499890 /nfs/dbraw/zinc/49/98/90/348499890.db2.gz JIPIAACUMUDRLO-HNNXBMFYSA-N 0 3 276.355 3.219 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000615120058 348715991 /nfs/dbraw/zinc/71/59/91/348715991.db2.gz OIAWJKJPYZYJPO-KZNAEPCWSA-N 0 3 281.403 3.431 20 30 CGEDHN CCN(Cc1ccnc(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000614603453 348686386 /nfs/dbraw/zinc/68/63/86/348686386.db2.gz ZTLDOHGTTSFUEK-ZDUSSCGKSA-N 0 3 285.416 3.468 20 30 CGEDHN C[C@H](NCCN1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571629 233156929 /nfs/dbraw/zinc/15/69/29/233156929.db2.gz OWECOJXHNNMJBZ-KGLIPLIRSA-N 0 3 289.398 3.080 20 30 CGEDHN C[C@@H](O)CC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358575423 233159261 /nfs/dbraw/zinc/15/92/61/233159261.db2.gz SPHPZDMJOASDRD-VXGBXAGGSA-N 0 3 278.371 3.145 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358576509 233159266 /nfs/dbraw/zinc/15/92/66/233159266.db2.gz UFWATHWOKBUUFZ-ABAIWWIYSA-N 0 3 264.344 3.019 20 30 CGEDHN C[C@@H](CCC#N)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000618888358 349176413 /nfs/dbraw/zinc/17/64/13/349176413.db2.gz WIPMUWILUKVMAE-WMZOPIPTSA-N 0 3 286.419 3.260 20 30 CGEDHN C=CCC1(C(=O)N[C@H](C)CN2CCC(C)CC2)CCCC1 ZINC000618995139 349192885 /nfs/dbraw/zinc/19/28/85/349192885.db2.gz GRQPTAPVLNRVBQ-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN N#CC1(CNCCCCCOc2ccccc2)CC1 ZINC000619535193 349257737 /nfs/dbraw/zinc/25/77/37/349257737.db2.gz FZCGIPHMJFGGTQ-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN N#CC1(CCCN2C3CCCC2CCC3)CCOCC1 ZINC000619620537 349263259 /nfs/dbraw/zinc/26/32/59/349263259.db2.gz ZADCCIMGQVXHJL-UHFFFAOYSA-N 0 3 276.424 3.494 20 30 CGEDHN C=CCCCN(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624547315 350063512 /nfs/dbraw/zinc/06/35/12/350063512.db2.gz ZYBNJOJEWZPLOO-MRXNPFEDSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000625535955 350182144 /nfs/dbraw/zinc/18/21/44/350182144.db2.gz YAUITCWTTZPRMC-DOTOQJQBSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CC[C@@H]1CC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000625701583 350198666 /nfs/dbraw/zinc/19/86/66/350198666.db2.gz KSYWKJVCPYZTRO-CQSZACIVSA-N 0 3 295.386 3.247 20 30 CGEDHN C=CC[C@@H]1CC[N@@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000625701583 350198672 /nfs/dbraw/zinc/19/86/72/350198672.db2.gz KSYWKJVCPYZTRO-CQSZACIVSA-N 0 3 295.386 3.247 20 30 CGEDHN C=CCC1(NCc2nnc(C)n2C2CC2)CCCCC1 ZINC000625934887 350233450 /nfs/dbraw/zinc/23/34/50/350233450.db2.gz DZQMRVDVRGKQMM-UHFFFAOYSA-N 0 3 274.412 3.290 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C2CCCCC2)CCC1 ZINC000628544157 350573578 /nfs/dbraw/zinc/57/35/78/350573578.db2.gz MLOHSJUOCIRPMT-INIZCTEOSA-N 0 3 290.451 3.256 20 30 CGEDHN CC1(C)CCCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000119919073 186862136 /nfs/dbraw/zinc/86/21/36/186862136.db2.gz SIUVDPZZQLIUIU-OAHLLOKOSA-N 0 3 285.391 3.055 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccc(F)cc2)o1 ZINC000367441375 234217517 /nfs/dbraw/zinc/21/75/17/234217517.db2.gz UJMDGHSOJOLQJT-HNNXBMFYSA-N 0 3 284.334 3.497 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1nc(C)ccc1O ZINC000119252525 370660235 /nfs/dbraw/zinc/66/02/35/370660235.db2.gz PNQUBHSGKUJWPR-UHFFFAOYSA-N 0 3 295.386 3.380 20 30 CGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc(C)ccc1[O-] ZINC000119252525 370660244 /nfs/dbraw/zinc/66/02/44/370660244.db2.gz PNQUBHSGKUJWPR-UHFFFAOYSA-N 0 3 295.386 3.380 20 30 CGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(C)ccc1[O-] ZINC000119252525 370660250 /nfs/dbraw/zinc/66/02/50/370660250.db2.gz PNQUBHSGKUJWPR-UHFFFAOYSA-N 0 3 295.386 3.380 20 30 CGEDHN CN1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000154039856 188118773 /nfs/dbraw/zinc/11/87/73/188118773.db2.gz YMNOTLMFGXSGBV-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN Cc1n[nH]cc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000336445722 213310236 /nfs/dbraw/zinc/31/02/36/213310236.db2.gz XWEASKIGDOJBJQ-QGZVFWFLSA-N 0 3 280.375 3.147 20 30 CGEDHN COc1cc(CN(C)[C@@H](C)c2ccc(C#N)cc2)ccc1O ZINC000156834222 188283982 /nfs/dbraw/zinc/28/39/82/188283982.db2.gz FLSLNZOORPCTDR-ZDUSSCGKSA-N 0 3 296.370 3.465 20 30 CGEDHN CN(CCCOc1ccccc1)CCC(C)(C)C#N ZINC000157651294 188330881 /nfs/dbraw/zinc/33/08/81/188330881.db2.gz LJOFGGRIVNVZGN-UHFFFAOYSA-N 0 3 260.381 3.327 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cccc3c2CCCN3)C1 ZINC000335013662 283057056 /nfs/dbraw/zinc/05/70/56/283057056.db2.gz NVKRFAMSUDJELA-HIFRSBDPSA-N 0 3 269.392 3.217 20 30 CGEDHN C[C@H](NC[C@H](O)c1ccsc1)c1ccc(C#N)c(F)c1 ZINC000271986310 191445945 /nfs/dbraw/zinc/44/59/45/191445945.db2.gz YAYIPDXTVIBRLO-BONVTDFDSA-N 0 3 290.363 3.143 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H]2C(F)F)c(C(F)(F)F)c1 ZINC000352883603 283148475 /nfs/dbraw/zinc/14/84/75/283148475.db2.gz CMXZFPUIUSUHAR-KOLCDFICSA-N 0 3 290.235 3.320 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)s1 ZINC000124517444 138375603 /nfs/dbraw/zinc/37/56/03/138375603.db2.gz GIGOFHIEFHBIJJ-GFCCVEGCSA-N 0 3 286.400 3.388 20 30 CGEDHN CCN(CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000126935504 138387719 /nfs/dbraw/zinc/38/77/19/138387719.db2.gz WNGQDXJUWHZLLI-UHFFFAOYSA-N 0 3 280.371 3.039 20 30 CGEDHN C=CCCCCNCc1c(Cl)n(C)nc1CC ZINC000274619348 192686852 /nfs/dbraw/zinc/68/68/52/192686852.db2.gz VXDNSXJKCQHLMX-UHFFFAOYSA-N 0 3 255.793 3.082 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC1CCCC1 ZINC000425534908 236257951 /nfs/dbraw/zinc/25/79/51/236257951.db2.gz MNAMYOKJYZZLMN-KDOFPFPSSA-N 0 3 286.419 3.492 20 30 CGEDHN N#Cc1ccc(CN[C@@H](CCCO)c2ccccc2)s1 ZINC000176974652 189018308 /nfs/dbraw/zinc/01/83/08/189018308.db2.gz CIWXITZJSASRCG-INIZCTEOSA-N 0 3 286.400 3.223 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000451829900 240368088 /nfs/dbraw/zinc/36/80/88/240368088.db2.gz BSLLUGJEIPTUIL-CVEARBPZSA-N 0 3 288.366 3.087 20 30 CGEDHN C[C@@H](NCCSC(F)(F)F)c1cccc(C#N)c1 ZINC000181543111 189300016 /nfs/dbraw/zinc/30/00/16/189300016.db2.gz KKKMVEQPWZTBLQ-SECBINFHSA-N 0 3 274.311 3.462 20 30 CGEDHN C[C@H](NCCC(=O)NC1CCCCC1)c1cccc(C#N)c1 ZINC000181546785 189300281 /nfs/dbraw/zinc/30/02/81/189300281.db2.gz IHYGCIVZRUESSC-AWEZNQCLSA-N 0 3 299.418 3.048 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000302104885 201344283 /nfs/dbraw/zinc/34/42/83/201344283.db2.gz MYUFROUOAILAIR-UONOGXRCSA-N 0 3 299.418 3.293 20 30 CGEDHN Cn1cccc1[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000119960023 370726285 /nfs/dbraw/zinc/72/62/85/370726285.db2.gz LDVWOVXYEKUKSR-HNNXBMFYSA-N 0 3 259.397 3.492 20 30 CGEDHN CN(CCOCC1CCCC1)Cc1ccc(C#N)cc1 ZINC000459291536 242055790 /nfs/dbraw/zinc/05/57/90/242055790.db2.gz MZPIGBHSMLJGNG-UHFFFAOYSA-N 0 3 272.392 3.197 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(OC(F)F)c1 ZINC000464859815 242458611 /nfs/dbraw/zinc/45/86/11/242458611.db2.gz YUGULDQRIDAHQL-STQMWFEESA-N 0 3 292.329 3.392 20 30 CGEDHN N#CC1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000123728162 370914293 /nfs/dbraw/zinc/91/42/93/370914293.db2.gz KGGWPICJWLTTQR-UHFFFAOYSA-N 0 3 277.371 3.484 20 30 CGEDHN CC(C)(C)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000330626176 203054491 /nfs/dbraw/zinc/05/44/91/203054491.db2.gz UYMRPBZRDLUMDN-OAHLLOKOSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCNc1nnc(SCC[C@H]2CCCCN2C)s1 ZINC000041295355 369180263 /nfs/dbraw/zinc/18/02/63/369180263.db2.gz JNBSHSFCRYLZIH-LLVKDONJSA-N 0 3 298.481 3.103 20 30 CGEDHN CC(C)CCOCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000044387500 369261050 /nfs/dbraw/zinc/26/10/50/369261050.db2.gz IHXXAUNSZXRSGT-AWEZNQCLSA-N 0 3 260.381 3.272 20 30 CGEDHN CC(C#N)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000044814658 369270381 /nfs/dbraw/zinc/27/03/81/369270381.db2.gz MSZGBZIXYVEILW-CYBMUJFWSA-N 0 3 264.328 3.052 20 30 CGEDHN C=CCCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000276096411 193212824 /nfs/dbraw/zinc/21/28/24/193212824.db2.gz DSZFEFXEZSKMFA-UHFFFAOYSA-N 0 3 299.168 3.365 20 30 CGEDHN C=CCCOCCNCc1cc(Br)cs1 ZINC000053584870 369487068 /nfs/dbraw/zinc/48/70/68/369487068.db2.gz HLNFMTGYZILQIM-UHFFFAOYSA-N 0 3 290.226 3.193 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(SC)c(OC)c1 ZINC000058528453 369570400 /nfs/dbraw/zinc/57/04/00/369570400.db2.gz PCIUCBQSDFZPKS-UHFFFAOYSA-N 0 3 251.395 3.425 20 30 CGEDHN Cn1cccc1[C@H]1CCCN1CCOc1ccccc1C#N ZINC000060465095 369587865 /nfs/dbraw/zinc/58/78/65/369587865.db2.gz OFHPULVSOYRSMA-QGZVFWFLSA-N 0 3 295.386 3.113 20 30 CGEDHN N#Cc1cccc(CNCc2ccccc2-n2ccnc2)c1 ZINC000067250224 369714656 /nfs/dbraw/zinc/71/46/56/369714656.db2.gz CVNJKPOXECNFPH-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN C=CCCN(C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000276468757 193344233 /nfs/dbraw/zinc/34/42/33/193344233.db2.gz RHHIAPNLDHFTFM-ZDUSSCGKSA-N 0 3 273.298 3.247 20 30 CGEDHN C=CCN1CCC(NC(=O)NCC(C)(C)CC(C)C)CC1 ZINC000083655150 370008284 /nfs/dbraw/zinc/00/82/84/370008284.db2.gz NPSAPQWOVWWADG-UHFFFAOYSA-N 0 3 295.471 3.008 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1sc(CC)nc1C ZINC000090883485 370069912 /nfs/dbraw/zinc/06/99/12/370069912.db2.gz LBAKSGWPVWTFFX-NSHDSACASA-N 0 3 268.426 3.257 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)cs2)C12CCC2 ZINC000092041113 370090033 /nfs/dbraw/zinc/09/00/33/370090033.db2.gz QZIXQRMOUJSHPW-HUUCEWRRSA-N 0 3 290.432 3.399 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)CC1=CCCOC1 ZINC000092217547 370094388 /nfs/dbraw/zinc/09/43/88/370094388.db2.gz GAVVCZNRWIDVSV-UHFFFAOYSA-N 0 3 273.376 3.030 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](COC)C2)cc1 ZINC000093337362 370118868 /nfs/dbraw/zinc/11/88/68/370118868.db2.gz MULSXNOBKBCVNK-MRXNPFEDSA-N 0 3 275.392 3.110 20 30 CGEDHN CSCC[C@@H](C)N(C)Cc1cc(C#N)cs1 ZINC000093558948 370141253 /nfs/dbraw/zinc/14/12/53/370141253.db2.gz XYVBKCHDZLGBKR-SNVBAGLBSA-N 0 3 254.424 3.193 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000133200991 371235800 /nfs/dbraw/zinc/23/58/00/371235800.db2.gz YJRLSVLONUGXTL-STQMWFEESA-N 0 3 297.402 3.316 20 30 CGEDHN C[C@@H](CCc1ccccc1)NCc1ccc(C#N)o1 ZINC000135122633 371392659 /nfs/dbraw/zinc/39/26/59/371392659.db2.gz YAOKPCCUKMPPDE-ZDUSSCGKSA-N 0 3 254.333 3.262 20 30 CGEDHN C=CC[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134913740 371375778 /nfs/dbraw/zinc/37/57/78/371375778.db2.gz JUTGGICDNIQUJE-VIFPVBQESA-N 0 3 254.717 3.302 20 30 CGEDHN CN(C)[C@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000135669681 371442901 /nfs/dbraw/zinc/44/29/01/371442901.db2.gz JWTQCKLFYUPHJC-MRXNPFEDSA-N 0 3 285.416 3.012 20 30 CGEDHN C[C@@H](Cc1ccsc1)NCc1ccc(C#N)s1 ZINC000135685649 371444679 /nfs/dbraw/zinc/44/46/79/371444679.db2.gz HPVNTIPZMSXKSD-JTQLQIEISA-N 0 3 262.403 3.402 20 30 CGEDHN CCOC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000353344791 220037025 /nfs/dbraw/zinc/03/70/25/220037025.db2.gz MIHLTOXXNQGTIA-LRDDRELGSA-N 0 3 278.371 3.409 20 30 CGEDHN Cc1ccc(NC(=O)C(C#N)c2nc(C)c(C)s2)s1 ZINC000155662324 371938450 /nfs/dbraw/zinc/93/84/50/371938450.db2.gz CLMXZMAHHZMTLM-JTQLQIEISA-N 0 3 291.401 3.376 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000156147627 371964334 /nfs/dbraw/zinc/96/43/34/371964334.db2.gz YFCNEVPPJGLMOP-AWEZNQCLSA-N 0 3 266.429 3.064 20 30 CGEDHN C#CCCCCN[C@H](COC)c1cccc(Cl)c1 ZINC000290718422 372042524 /nfs/dbraw/zinc/04/25/24/372042524.db2.gz OKDRIBZOOSGUEF-OAHLLOKOSA-N 0 3 265.784 3.421 20 30 CGEDHN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)C(C)C#N ZINC000425158924 372115314 /nfs/dbraw/zinc/11/53/14/372115314.db2.gz JPEDIARDFCZRMK-NSHDSACASA-N 0 3 298.308 3.256 20 30 CGEDHN CC#CCCNCc1ccccc1OC(F)(F)F ZINC000158305339 372064361 /nfs/dbraw/zinc/06/43/61/372064361.db2.gz CRJRNYKZPKJIHS-UHFFFAOYSA-N 0 3 257.255 3.088 20 30 CGEDHN CC(C)(CO)[C@@H](NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000292919750 372249497 /nfs/dbraw/zinc/24/94/97/372249497.db2.gz BQFGKESNMLMTJF-INIZCTEOSA-N 0 3 291.822 3.078 20 30 CGEDHN C=CCCCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428772568 372262650 /nfs/dbraw/zinc/26/26/50/372262650.db2.gz MUTJJALADGCMGA-INIZCTEOSA-N 0 3 285.391 3.153 20 30 CGEDHN C=CCOCCN1CCC(Oc2ccc(C)cc2)CC1 ZINC000293198914 372324735 /nfs/dbraw/zinc/32/47/35/372324735.db2.gz UEQOFDPXRGDGSX-UHFFFAOYSA-N 0 3 275.392 3.041 20 30 CGEDHN COCC(C)(C)N(C)CC#Cc1cccc(Cl)c1 ZINC000429252870 372330007 /nfs/dbraw/zinc/33/00/07/372330007.db2.gz IOTFVOQARQZIJE-UHFFFAOYSA-N 0 3 265.784 3.048 20 30 CGEDHN C[C@H]1CC[C@@H](N(CC#Cc2ccc(Cl)cc2)CCO)C1 ZINC000429768520 372377242 /nfs/dbraw/zinc/37/72/42/372377242.db2.gz SREQQACFGPMPEB-WMLDXEAASA-N 0 3 291.822 3.174 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000430724388 372392673 /nfs/dbraw/zinc/39/26/73/372392673.db2.gz NTXFZOHOONFYPZ-OAHLLOKOSA-N 0 3 258.340 3.487 20 30 CGEDHN N#CCC1(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000430749638 372396168 /nfs/dbraw/zinc/39/61/68/372396168.db2.gz KVXMXCYSEUPUQG-DOTOQJQBSA-N 0 3 284.403 3.438 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2n2cccn2)c(F)c1 ZINC000162710582 372411793 /nfs/dbraw/zinc/41/17/93/372411793.db2.gz UXIBRVQRMWKASA-DLBZAZTESA-N 0 3 298.365 3.167 20 30 CGEDHN N#Cc1ccc(CN(CCO)C2CCCCC2)c(Cl)c1 ZINC000162888749 372431608 /nfs/dbraw/zinc/43/16/08/372431608.db2.gz GUUOBZFTDRPNEA-UHFFFAOYSA-N 0 3 292.810 3.339 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000432112628 372537253 /nfs/dbraw/zinc/53/72/53/372537253.db2.gz ZNMCPHGUXNHTDD-OAHLLOKOSA-N 0 3 295.471 3.008 20 30 CGEDHN C[C@H](NCCOCCC#N)c1ccc(Br)cc1 ZINC000293813453 372490755 /nfs/dbraw/zinc/49/07/55/372490755.db2.gz OHLSIGIDOMIFMW-NSHDSACASA-N 0 3 297.196 3.030 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1 ZINC000433103037 372582377 /nfs/dbraw/zinc/58/23/77/372582377.db2.gz HSITZBWMIVJVSR-KRWDZBQOSA-N 0 3 278.355 3.075 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000294916903 372678577 /nfs/dbraw/zinc/67/85/77/372678577.db2.gz GFYBIGLYFJAOAU-ZFWWWQNUSA-N 0 3 274.408 3.006 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(CCC)cc2)CC1 ZINC000171714655 372815883 /nfs/dbraw/zinc/81/58/83/372815883.db2.gz HHEKADSZJOPBTG-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN COCCN(CC#Cc1ccccc1Cl)CC(C)C ZINC000441167636 372997340 /nfs/dbraw/zinc/99/73/40/372997340.db2.gz IDYJKCJSCSZZBT-UHFFFAOYSA-N 0 3 279.811 3.296 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cnn(CC)c2)cc1 ZINC000296002485 372990305 /nfs/dbraw/zinc/99/03/05/372990305.db2.gz QNHVUMHILMUTGJ-GJZGRUSLSA-N 0 3 297.402 3.327 20 30 CGEDHN Cc1ccc(-c2nc(CCN[C@H]3CC[C@H](C#N)C3)co2)cc1 ZINC000442799412 373088880 /nfs/dbraw/zinc/08/88/80/373088880.db2.gz YBNYCUZSEMTZLX-HOCLYGCPSA-N 0 3 295.386 3.474 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCOc2ccccc2Cl)C1 ZINC000442828271 373099882 /nfs/dbraw/zinc/09/98/82/373099882.db2.gz QZIMVZUTNFGJTR-RYUDHWBXSA-N 0 3 264.756 3.001 20 30 CGEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000444675370 373230192 /nfs/dbraw/zinc/23/01/92/373230192.db2.gz LWCWAZIDZLMINP-NVXWUHKLSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@H](NCCC(=O)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000174024400 373235597 /nfs/dbraw/zinc/23/55/97/373235597.db2.gz SJRCPRQQIIYKIA-HNNXBMFYSA-N 0 3 299.418 3.002 20 30 CGEDHN COCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccco1 ZINC000446764140 373359773 /nfs/dbraw/zinc/35/97/73/373359773.db2.gz DNASUOCLLAXNDG-RDBSUJKOSA-N 0 3 262.353 3.029 20 30 CGEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1c(C)nn(C)c1C ZINC000447536391 373447365 /nfs/dbraw/zinc/44/73/65/373447365.db2.gz MUXHZNAUPCFDKM-ZNMIVQPWSA-N 0 3 274.412 3.160 20 30 CGEDHN CN(CCN(C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000353643204 220216807 /nfs/dbraw/zinc/21/68/07/220216807.db2.gz JGTVWSDGPXLWQL-UHFFFAOYSA-N 0 3 279.387 3.126 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000301105928 373663209 /nfs/dbraw/zinc/66/32/09/373663209.db2.gz SITWKQANKQWHJN-KRWDZBQOSA-N 0 3 283.350 3.412 20 30 CGEDHN C=CCCCC[C@@H](C)[NH2+][C@H](C)c1nnc(CC)[n-]1 ZINC000449203773 373670961 /nfs/dbraw/zinc/67/09/61/373670961.db2.gz KXESDFBBCWSOJS-VXGBXAGGSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H](C)c1nnc(CC)[nH]1 ZINC000449203773 373670971 /nfs/dbraw/zinc/67/09/71/373670971.db2.gz KXESDFBBCWSOJS-VXGBXAGGSA-N 0 3 250.390 3.153 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301188980 373686583 /nfs/dbraw/zinc/68/65/83/373686583.db2.gz UUCPKORGIZYMHT-UHFFFAOYSA-N 0 3 289.379 3.356 20 30 CGEDHN C=CCOc1ccc(CNC[C@@](C)(CC)OC)cc1OC ZINC000449479507 373767219 /nfs/dbraw/zinc/76/72/19/373767219.db2.gz VGCNVNWEMKTBLI-QGZVFWFLSA-N 0 3 293.407 3.165 20 30 CGEDHN Cc1ccncc1CNCc1cccc(OCCCC#N)c1 ZINC000449524279 373822034 /nfs/dbraw/zinc/82/20/34/373822034.db2.gz NNRPJCYUKSCSDL-UHFFFAOYSA-N 0 3 295.386 3.362 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](O)CC(C)(C)C1 ZINC000449619378 373836058 /nfs/dbraw/zinc/83/60/58/373836058.db2.gz PGQBBYKZWBUWEQ-MRXNPFEDSA-N 0 3 289.419 3.234 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1cc(C#N)cs1 ZINC000449761651 373890135 /nfs/dbraw/zinc/89/01/35/373890135.db2.gz ZPJYTQSHXVJOCU-ZIAGYGMSSA-N 0 3 264.394 3.057 20 30 CGEDHN Cc1ccc([C@H](CNc2ccc(C)c(C#N)n2)N(C)C)cc1 ZINC000302604166 373904317 /nfs/dbraw/zinc/90/43/17/373904317.db2.gz CUTWVEBWNUAEFP-KRWDZBQOSA-N 0 3 294.402 3.285 20 30 CGEDHN CN(CCCSCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000180515931 374016433 /nfs/dbraw/zinc/01/64/33/374016433.db2.gz VSDUMHLUHXIIBK-UHFFFAOYSA-N 0 3 288.338 3.183 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000449989882 373980285 /nfs/dbraw/zinc/98/02/85/373980285.db2.gz VNRFDDLCMQIYNQ-CABCVRRESA-N 0 3 278.440 3.064 20 30 CGEDHN CC(C)[C@H](O)C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305810565 374115615 /nfs/dbraw/zinc/11/56/15/374115615.db2.gz JAHMQOZYOZMFOY-LRDDRELGSA-N 0 3 292.398 3.391 20 30 CGEDHN C[C@H](N[C@H](CO)CC(C)(C)C)c1ccc(C#N)cc1F ZINC000305822317 374116465 /nfs/dbraw/zinc/11/64/65/374116465.db2.gz PIPJAAUUBPFVMM-AAEUAGOBSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CN1C1CC1 ZINC000450380216 374090892 /nfs/dbraw/zinc/09/08/92/374090892.db2.gz RBOLORNIPXUDFW-WDEREUQCSA-N 0 3 275.783 3.249 20 30 CGEDHN C=CCN(CCCc1cc(CC)no1)CCc1ccco1 ZINC000450701656 374172708 /nfs/dbraw/zinc/17/27/08/374172708.db2.gz XGSWDXIHLQXPJJ-UHFFFAOYSA-N 0 3 288.391 3.493 20 30 CGEDHN C=CCOc1ccccc1CNCCOC(C)(C)C ZINC000308692720 374173869 /nfs/dbraw/zinc/17/38/69/374173869.db2.gz LKNRFJBWOBFALR-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN CC[C@@H](NCCOc1ccccc1C#N)c1c(C)noc1C ZINC000182457092 374275188 /nfs/dbraw/zinc/27/51/88/374275188.db2.gz SRUMKMCIZVLYHR-OAHLLOKOSA-N 0 3 299.374 3.283 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCOCC2)c([O-])c1 ZINC000182699005 374316074 /nfs/dbraw/zinc/31/60/74/374316074.db2.gz ZLOUFGYJTXOTBB-VUODPORTSA-N 0 3 290.407 3.226 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000453342591 374433519 /nfs/dbraw/zinc/43/35/19/374433519.db2.gz INKIMKJVADHRTO-LYRGGWFBSA-N 0 3 274.339 3.082 20 30 CGEDHN Cc1cccnc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000453314439 374413372 /nfs/dbraw/zinc/41/33/72/374413372.db2.gz UBCAEXAJDMEHLZ-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN C[C@@H](C#N)CNC[C@@H](C)c1cccc(Br)c1 ZINC000183837804 374463021 /nfs/dbraw/zinc/46/30/21/374463021.db2.gz VOACQDMBRFMACO-WDEREUQCSA-N 0 3 281.197 3.302 20 30 CGEDHN CCCN1CCC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC000330664212 374487895 /nfs/dbraw/zinc/48/78/95/374487895.db2.gz FRHJOICDFFDMCM-ZDUSSCGKSA-N 0 3 292.427 3.021 20 30 CGEDHN COCCC1(CNCc2ccc(C#N)o2)CCCCC1 ZINC000185227496 374614208 /nfs/dbraw/zinc/61/42/08/374614208.db2.gz OIXVYHCACNPJTK-UHFFFAOYSA-N 0 3 276.380 3.228 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000334149327 374648678 /nfs/dbraw/zinc/64/86/78/374648678.db2.gz HHIKTFLMARVBKF-GWCFXTLKSA-N 0 3 262.740 3.163 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185385029 374654288 /nfs/dbraw/zinc/65/42/88/374654288.db2.gz MREKWMUVZBKNTF-CYBMUJFWSA-N 0 3 292.398 3.222 20 30 CGEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000185635628 374702510 /nfs/dbraw/zinc/70/25/10/374702510.db2.gz BOSHWSDZCQRHAJ-RDJZCZTQSA-N 0 3 299.418 3.054 20 30 CGEDHN C[C@](O)(CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1Cl ZINC000185901097 374763340 /nfs/dbraw/zinc/76/33/40/374763340.db2.gz WKXVGRYCCHLUTQ-XEZPLFJOSA-N 0 3 292.810 3.219 20 30 CGEDHN CC(C)(C)Oc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185893045 374761787 /nfs/dbraw/zinc/76/17/87/374761787.db2.gz SVSHLDRQRWMTQD-UKRRQHHQSA-N 0 3 287.407 3.431 20 30 CGEDHN CCOc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185816345 374744245 /nfs/dbraw/zinc/74/42/45/374744245.db2.gz XCPIZGZBMKFIHM-ZFWWWQNUSA-N 0 3 258.365 3.257 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000185952578 374773652 /nfs/dbraw/zinc/77/36/52/374773652.db2.gz NTOODXMYYXNTDV-DJIMGWMZSA-N 0 3 286.419 3.150 20 30 CGEDHN C=CCC[C@@H](CCC)N[C@H](CCO)c1ccco1 ZINC000186532437 374869817 /nfs/dbraw/zinc/86/98/17/374869817.db2.gz CCKUKXJCLPPESN-ZIAGYGMSSA-N 0 3 251.370 3.428 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000186391899 374843209 /nfs/dbraw/zinc/84/32/09/374843209.db2.gz CQYBRRHXQFWULS-IRXDYDNUSA-N 0 3 290.382 3.381 20 30 CGEDHN CCOC[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187691549 375074018 /nfs/dbraw/zinc/07/40/18/375074018.db2.gz HZZKECYEMZANQL-GOEBONIOSA-N 0 3 272.392 3.368 20 30 CGEDHN CC1(C)C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000334926503 375043856 /nfs/dbraw/zinc/04/38/56/375043856.db2.gz SWBAWNCJLICRHN-HOCLYGCPSA-N 0 3 270.376 3.093 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@@H]1C(C)C)C(C)C ZINC000475299941 375131378 /nfs/dbraw/zinc/13/13/78/375131378.db2.gz WVZOWOCGZBRMKK-IXDOHACOSA-N 0 3 292.467 3.093 20 30 CGEDHN CO[C@H]1CCCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000483710081 375182503 /nfs/dbraw/zinc/18/25/03/375182503.db2.gz HFPKANNFRBUHGA-CVEARBPZSA-N 0 3 277.795 3.239 20 30 CGEDHN C=C(CC)CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000481705287 375165452 /nfs/dbraw/zinc/16/54/52/375165452.db2.gz YUPPGPOELFWKSM-QGZVFWFLSA-N 0 3 257.377 3.474 20 30 CGEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485622226 375192925 /nfs/dbraw/zinc/19/29/25/375192925.db2.gz IXVVPQGLEDQGFC-MWQQHZPXSA-N 0 3 282.387 3.331 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](c3cccnc3)C2)ccc1F ZINC000335419782 375278323 /nfs/dbraw/zinc/27/83/23/375278323.db2.gz XXIOPIWEGCDHJJ-HNNXBMFYSA-N 0 3 281.334 3.082 20 30 CGEDHN COCCN(CC#Cc1ccccc1)[C@H]1CCC[C@H]1C ZINC000487966962 375289304 /nfs/dbraw/zinc/28/93/04/375289304.db2.gz YEVVWGIFSBQBOE-AEFFLSMTSA-N 0 3 271.404 3.175 20 30 CGEDHN COCCN(Cc1cc(C#N)ccc1F)[C@H]1CCC[C@@H]1C ZINC000487998209 375294857 /nfs/dbraw/zinc/29/48/57/375294857.db2.gz HDUXHTZXMOFKNS-GUYCJALGSA-N 0 3 290.382 3.334 20 30 CGEDHN CCc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000189582541 375416744 /nfs/dbraw/zinc/41/67/44/375416744.db2.gz ADEXUAMSPGVDRM-ZDUSSCGKSA-N 0 3 267.376 3.310 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000494218357 375487078 /nfs/dbraw/zinc/48/70/78/375487078.db2.gz BRDHVXRGKKHBKO-OAHLLOKOSA-N 0 3 293.455 3.001 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494660936 375489503 /nfs/dbraw/zinc/48/95/03/375489503.db2.gz HLUXYZACHXFFMO-SFHVURJKSA-N 0 3 284.403 3.144 20 30 CGEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CCCCO3)CC2)cc1 ZINC000335970438 375581918 /nfs/dbraw/zinc/58/19/18/375581918.db2.gz FHARJLDAGRWQPG-SFHVURJKSA-N 0 3 282.387 3.216 20 30 CGEDHN CC#CCCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000499213788 375630311 /nfs/dbraw/zinc/63/03/11/375630311.db2.gz MDRKKWGNYRYHOD-UHFFFAOYSA-N 0 3 260.337 3.221 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(Br)c(C)c1 ZINC000501926473 375640810 /nfs/dbraw/zinc/64/08/10/375640810.db2.gz IIQVBAUQTPVYTK-UHFFFAOYSA-N 0 3 298.224 3.392 20 30 CGEDHN CCN(CCc1nccs1)Cc1ccc(C#N)c(F)c1 ZINC000192129174 375701404 /nfs/dbraw/zinc/70/14/04/375701404.db2.gz ORGSLSUEWDRMAJ-UHFFFAOYSA-N 0 3 289.379 3.218 20 30 CGEDHN N#Cc1cc(F)ccc1CN[C@H]1CCCC12CCOCC2 ZINC000336166886 375743940 /nfs/dbraw/zinc/74/39/40/375743940.db2.gz NCJLYQJURIUWLV-INIZCTEOSA-N 0 3 288.366 3.136 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)CC1(O)CCCCCC1 ZINC000192706811 375780505 /nfs/dbraw/zinc/78/05/05/375780505.db2.gz GFMDPEQTUPJYGB-UHFFFAOYSA-N 0 3 272.392 3.075 20 30 CGEDHN Cc1cccc(-c2cccc(CNC(=O)C(C)C#N)c2)c1 ZINC000510651201 375786206 /nfs/dbraw/zinc/78/62/06/375786206.db2.gz UMAJBVYEOMOPPZ-AWEZNQCLSA-N 0 3 278.355 3.438 20 30 CGEDHN N#CC(C(=O)CC1(c2ccccc2)CC1)c1ccccn1 ZINC000528920095 375914088 /nfs/dbraw/zinc/91/40/88/375914088.db2.gz MMYOBGMBBFTXTH-HNNXBMFYSA-N 0 3 276.339 3.380 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCC12CC2 ZINC000528906637 375914413 /nfs/dbraw/zinc/91/44/13/375914413.db2.gz FUCBBLULPVUGNU-STQMWFEESA-N 0 3 293.370 3.330 20 30 CGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCCCC#N)C1 ZINC000532379535 375951098 /nfs/dbraw/zinc/95/10/98/375951098.db2.gz JEWLBTFWMCATBH-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN CCN(CCn1cc(C)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000336847807 376009197 /nfs/dbraw/zinc/00/91/97/376009197.db2.gz YIASZJGOAQWEGZ-OAHLLOKOSA-N 0 3 282.391 3.146 20 30 CGEDHN COC(=O)c1cccc(CN2CCC[C@@H]2C2CCC2)c1C#N ZINC000535204633 376029251 /nfs/dbraw/zinc/02/92/51/376029251.db2.gz DMBIPQFADUKZAZ-QGZVFWFLSA-N 0 3 298.386 3.109 20 30 CGEDHN C=CCN(Cc1c[nH]c(C(=O)OC)c1)CC1CCCCC1 ZINC000536671397 376117920 /nfs/dbraw/zinc/11/79/20/376117920.db2.gz IFDYTLUXRBBWOT-UHFFFAOYSA-N 0 3 290.407 3.370 20 30 CGEDHN C=CCN(CCOC)[C@@H](CC)c1ccc(F)cc1 ZINC000195002474 376068603 /nfs/dbraw/zinc/06/86/03/376068603.db2.gz IPPVNEVFBYVYGG-HNNXBMFYSA-N 0 3 251.345 3.411 20 30 CGEDHN CC[C@H](NCCCC1(C#N)CCOCC1)c1nccs1 ZINC000337214579 376144229 /nfs/dbraw/zinc/14/42/29/376144229.db2.gz XOTVWCFBCBACCH-ZDUSSCGKSA-N 0 3 293.436 3.284 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnc(OC)nc2C)CCCC1(C)C ZINC000337267180 376178538 /nfs/dbraw/zinc/17/85/38/376178538.db2.gz ZWIBQAJTYBTGGS-HNNXBMFYSA-N 0 3 289.423 3.360 20 30 CGEDHN C=C(CC)CN1CCC(c2ccnn2CCC)CC1 ZINC000337358749 376213902 /nfs/dbraw/zinc/21/39/02/376213902.db2.gz GKXNYIDAXPLOQX-UHFFFAOYSA-N 0 3 261.413 3.439 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1cccc(C#N)c1F ZINC000222572066 376238518 /nfs/dbraw/zinc/23/85/18/376238518.db2.gz MPOHCWUYOAGAEK-BBRMVZONSA-N 0 3 290.382 3.213 20 30 CGEDHN C[C@H](NCCOc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000338349577 376344264 /nfs/dbraw/zinc/34/42/64/376344264.db2.gz OKXBKGQQLDUQGW-AWEZNQCLSA-N 0 3 291.354 3.160 20 30 CGEDHN CCN1C[C@@H](C)N(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C ZINC000538978752 376284489 /nfs/dbraw/zinc/28/44/89/376284489.db2.gz JDKGBFGFWQWKAJ-UONOGXRCSA-N 0 3 294.402 3.025 20 30 CGEDHN C[C@H](NC[C@@H](O)c1ccsc1)c1cccc(C#N)c1 ZINC000224672301 376286195 /nfs/dbraw/zinc/28/61/95/376286195.db2.gz WQEXFKIBZIBWJW-XHDPSFHLSA-N 0 3 272.373 3.004 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000228012607 376423173 /nfs/dbraw/zinc/42/31/73/376423173.db2.gz OJMBCRFSGBBAKP-CZUORRHYSA-N 0 3 258.340 3.462 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)c(F)c1 ZINC000228013433 376423410 /nfs/dbraw/zinc/42/34/10/376423410.db2.gz ABOUZQXZUKPVFP-CZUORRHYSA-N 0 3 258.340 3.462 20 30 CGEDHN O[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000228497365 376438608 /nfs/dbraw/zinc/43/86/08/376438608.db2.gz AJLWXQVUYWEWOK-CEXWTWQISA-N 0 3 283.415 3.054 20 30 CGEDHN COc1ccc([C@H](C)NCCCC#N)cc1Cl ZINC000541571797 376459427 /nfs/dbraw/zinc/45/94/27/376459427.db2.gz ZKCOWLIFLCUVST-JTQLQIEISA-N 0 3 252.745 3.303 20 30 CGEDHN Cc1cnccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000229661303 376469375 /nfs/dbraw/zinc/46/93/75/376469375.db2.gz GPXQOOZMQDHSNJ-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN CCN(CC)CCSc1nccc(C#N)c1Cl ZINC000233423512 376596944 /nfs/dbraw/zinc/59/69/44/376596944.db2.gz VPOKFXPLCHIRKQ-UHFFFAOYSA-N 0 3 269.801 3.041 20 30 CGEDHN C[C@H]1CCCN(CCNc2cccc(Cl)c2C#N)C1 ZINC000338991664 376617061 /nfs/dbraw/zinc/61/70/61/376617061.db2.gz AXGHYFOFFSATPO-LBPRGKRZSA-N 0 3 277.799 3.355 20 30 CGEDHN COc1cc(CNCc2sccc2C)ccc1C#N ZINC000234934151 376625080 /nfs/dbraw/zinc/62/50/80/376625080.db2.gz CWDVDOVBRPVDTN-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC(C)(C)c1cccs1 ZINC000543497835 376650799 /nfs/dbraw/zinc/65/07/99/376650799.db2.gz UKVPAGVVNQPZQG-ZDUSSCGKSA-N 0 3 294.464 3.386 20 30 CGEDHN C[C@@H](NCCCCn1ccnc1)c1ccc(C#N)cc1F ZINC000543762050 376675985 /nfs/dbraw/zinc/67/59/85/376675985.db2.gz UWBYGUXLRCOARG-CYBMUJFWSA-N 0 3 286.354 3.025 20 30 CGEDHN C=CCOCCN1CCC[C@H](OCc2ccccc2F)C1 ZINC000339139476 376704477 /nfs/dbraw/zinc/70/44/77/376704477.db2.gz GCEIIISYNHTRMT-INIZCTEOSA-N 0 3 293.382 3.009 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](C)NC[C@@H](C#N)CCC#N ZINC000245472639 376828052 /nfs/dbraw/zinc/82/80/52/376828052.db2.gz PFJBVDZOJGCAPI-SOUVJXGZSA-N 0 3 255.365 3.212 20 30 CGEDHN N#CCC[C@@H](C#N)CNCCCn1ccc2ccccc21 ZINC000554546733 376851557 /nfs/dbraw/zinc/85/15/57/376851557.db2.gz VUKJFSPFKPCSCK-HNNXBMFYSA-N 0 3 280.375 3.065 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC000245961758 376945607 /nfs/dbraw/zinc/94/56/07/376945607.db2.gz YFNWXAWZMCLVRK-CABCVRRESA-N 0 3 266.429 3.110 20 30 CGEDHN N#Cc1ccccc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246814984 377095262 /nfs/dbraw/zinc/09/52/62/377095262.db2.gz NLJQRILGQRGQOP-HKUYNNGSSA-N 0 3 295.430 3.007 20 30 CGEDHN CCC[C@H]1CCCC[C@H]1NCc1nc(C#N)cs1 ZINC000561405993 377226214 /nfs/dbraw/zinc/22/62/14/377226214.db2.gz QPAWJWBWNSQDNB-WCQYABFASA-N 0 3 263.410 3.463 20 30 CGEDHN C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]21 ZINC000248417240 377314941 /nfs/dbraw/zinc/31/49/41/377314941.db2.gz JJIBCJAJTUBFMH-XOKHGSTOSA-N 0 3 297.402 3.007 20 30 CGEDHN C[C@](CO)(NCc1cccc(C#N)c1F)C1CCCCC1 ZINC000340862992 377292451 /nfs/dbraw/zinc/29/24/51/377292451.db2.gz AMFFCIHQWUGFQX-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000249085587 377459161 /nfs/dbraw/zinc/45/91/61/377459161.db2.gz BQEDSNOAPAZISC-IIDMSEBBSA-N 0 3 294.402 3.399 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(-c2ccccc2F)o1 ZINC000341293345 377492546 /nfs/dbraw/zinc/49/25/46/377492546.db2.gz PFVLOWWFFJJGPN-CYBMUJFWSA-N 0 3 289.350 3.360 20 30 CGEDHN CC(C)[C@@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000568545275 377519857 /nfs/dbraw/zinc/51/98/57/377519857.db2.gz GDWUCHAJGBXOTI-SMDDNHRTSA-N 0 3 278.783 3.355 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1cc(C#N)ccc1OC ZINC000091099380 249030576 /nfs/dbraw/zinc/03/05/76/249030576.db2.gz CJLJFOHBSXWELD-CQSZACIVSA-N 0 3 278.421 3.140 20 30 CGEDHN N#Cc1csc(CNCc2cccc3cccnc32)c1 ZINC000093492573 249037710 /nfs/dbraw/zinc/03/77/10/249037710.db2.gz KUGCFCJYMJELEO-UHFFFAOYSA-N 0 3 279.368 3.458 20 30 CGEDHN CC[C@]1(CO)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000249578908 377515460 /nfs/dbraw/zinc/51/54/60/377515460.db2.gz QGQYPCJSZJQJJF-PBHICJAKSA-N 0 3 272.392 3.104 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000572205168 377547833 /nfs/dbraw/zinc/54/78/33/377547833.db2.gz ZPJONJYHTRBECY-HZPDHXFCSA-N 0 3 299.462 3.402 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)C(C)(C)C ZINC000572623092 377549683 /nfs/dbraw/zinc/54/96/83/377549683.db2.gz ODFCTGRWTQHBRI-MRXNPFEDSA-N 0 3 277.408 3.090 20 30 CGEDHN COc1ccc2c(c1)CCC[C@H]2CNC[C@@H](C#N)CCC#N ZINC000573298080 377556522 /nfs/dbraw/zinc/55/65/22/377556522.db2.gz XWUOXKBMPLHGEH-ZBFHGGJFSA-N 0 3 297.402 3.148 20 30 CGEDHN CC(C)c1cnc(CNCCc2cccc(C#N)c2)s1 ZINC000341478383 377583351 /nfs/dbraw/zinc/58/33/51/377583351.db2.gz HNLZDRHBNFXTCE-UHFFFAOYSA-N 0 3 285.416 3.470 20 30 CGEDHN Cc1noc([C@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000265475188 190184812 /nfs/dbraw/zinc/18/48/12/190184812.db2.gz JYNWDHUMLHGUEE-WBMJQRKESA-N 0 3 296.374 3.190 20 30 CGEDHN CO[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@H]1C ZINC000251531343 377586792 /nfs/dbraw/zinc/58/67/92/377586792.db2.gz DEXPWRHBGUIXHO-RHSMWYFYSA-N 0 3 286.419 3.345 20 30 CGEDHN Cc1nsc(N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000341836941 377620885 /nfs/dbraw/zinc/62/08/85/377620885.db2.gz AADJPQGSFYUMKF-IJLUTSLNSA-N 0 3 292.452 3.102 20 30 CGEDHN CC(C)(CCC#N)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000342280868 377639068 /nfs/dbraw/zinc/63/90/68/377639068.db2.gz OCEMQJUPIFULLC-UHFFFAOYSA-N 0 3 282.391 3.496 20 30 CGEDHN C=C1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000342480940 377650597 /nfs/dbraw/zinc/65/05/97/377650597.db2.gz WOKAUTBOGAKPCS-GOSISDBHSA-N 0 3 298.430 3.220 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@H]1CCCOC1 ZINC000342748665 377772328 /nfs/dbraw/zinc/77/23/28/377772328.db2.gz XCFHHJHKAZLWKS-OAHLLOKOSA-N 0 3 252.402 3.065 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCCOC1 ZINC000342748664 377772546 /nfs/dbraw/zinc/77/25/46/377772546.db2.gz XCFHHJHKAZLWKS-HNNXBMFYSA-N 0 3 252.402 3.065 20 30 CGEDHN C=CCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000263682515 377949838 /nfs/dbraw/zinc/94/98/38/377949838.db2.gz PCEKIMLYDQETEK-NVXWUHKLSA-N 0 3 284.403 3.096 20 30 CGEDHN C=CCCN(C)Cc1ccc(OC(F)F)c(F)c1 ZINC000343451306 377983618 /nfs/dbraw/zinc/98/36/18/377983618.db2.gz YBNXMVNYDGPIRT-UHFFFAOYSA-N 0 3 259.271 3.435 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccnn1-c1ccccc1 ZINC000343499366 377996822 /nfs/dbraw/zinc/99/68/22/377996822.db2.gz SWCSMJIFWNIFHD-AWEZNQCLSA-N 0 3 280.375 3.217 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000343688143 378065972 /nfs/dbraw/zinc/06/59/72/378065972.db2.gz GFJHXVVADAFUHX-LBPRGKRZSA-N 0 3 282.318 3.269 20 30 CGEDHN C=CCOc1ccccc1CN1CCCO[C@H](CC)C1 ZINC000343688304 378066829 /nfs/dbraw/zinc/06/68/29/378066829.db2.gz ZAXRWSZEZKMDGC-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000268589115 378077488 /nfs/dbraw/zinc/07/74/88/378077488.db2.gz VHQCUEURQQOVOI-MRXNPFEDSA-N 0 3 289.419 3.165 20 30 CGEDHN CC(C)C1(CNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000343739824 378079670 /nfs/dbraw/zinc/07/96/70/378079670.db2.gz NIFGWHLTNQHAEL-MRXNPFEDSA-N 0 3 284.403 3.311 20 30 CGEDHN C[C@@H]1CC[C@H](N(CC#Cc2ccccc2Cl)CCO)C1 ZINC000577903899 378022592 /nfs/dbraw/zinc/02/25/92/378022592.db2.gz QKSSNYMEZAOKRD-ZBFHGGJFSA-N 0 3 291.822 3.174 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@H](CO)c2ccccc2)cc1 ZINC000268884972 378143214 /nfs/dbraw/zinc/14/32/14/378143214.db2.gz IQGGKHOUOFIHFZ-HNAYVOBHSA-N 0 3 295.382 3.083 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2cccc(CO)c2)cc1 ZINC000268883673 378143230 /nfs/dbraw/zinc/14/32/30/378143230.db2.gz NPDXKBMRVZIZKA-HNNXBMFYSA-N 0 3 295.382 3.042 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000268661196 378087520 /nfs/dbraw/zinc/08/75/20/378087520.db2.gz JBZGNRJVELXDLN-TZMCWYRMSA-N 0 3 294.464 3.342 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000579964441 378212894 /nfs/dbraw/zinc/21/28/94/378212894.db2.gz HGFWOEOAYKIYQO-STQMWFEESA-N 0 3 287.363 3.334 20 30 CGEDHN C=CCCCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000579977389 378214590 /nfs/dbraw/zinc/21/45/90/378214590.db2.gz CPQBAMULUBETJQ-MRXNPFEDSA-N 0 3 288.370 3.369 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(C#N)c1 ZINC000618742207 378410466 /nfs/dbraw/zinc/41/04/66/378410466.db2.gz KXWDWZDLQXGKAI-GOSISDBHSA-N 0 3 273.339 3.207 20 30 CGEDHN CCC(CC)[C@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271933699 378522602 /nfs/dbraw/zinc/52/26/02/378522602.db2.gz JLHKOWYBAZBVEX-BDJLRTHQSA-N 0 3 278.371 3.145 20 30 CGEDHN Cc1ccccc1[C@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271964600 378532057 /nfs/dbraw/zinc/53/20/57/378532057.db2.gz SEYSPYRHHWYVRP-FZKQIMNGSA-N 0 3 298.361 3.390 20 30 CGEDHN C=C(CNCc1c(C)nc2sc(C)nn12)c1ccccc1 ZINC000346695406 378678180 /nfs/dbraw/zinc/67/81/80/378678180.db2.gz AXRPCQLUKMWHKA-UHFFFAOYSA-N 0 3 298.415 3.211 20 30 CGEDHN CC(C)[C@H](NCCCC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000346828675 378693160 /nfs/dbraw/zinc/69/31/60/378693160.db2.gz JQZHITJSNDUUPU-AWEZNQCLSA-N 0 3 273.336 3.124 20 30 CGEDHN Cc1ccnc(NC[C@@H](c2cccs2)N(C)C)c1C#N ZINC000273024059 378734755 /nfs/dbraw/zinc/73/47/55/378734755.db2.gz LLJGPLGMQNUTGT-ZDUSSCGKSA-N 0 3 286.404 3.038 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COCC(C)C ZINC000348207465 378840906 /nfs/dbraw/zinc/84/09/06/378840906.db2.gz WQNIHYXUPRQUQI-SFHVURJKSA-N 0 3 291.435 3.098 20 30 CGEDHN C=C(C)[C@@H](NC[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000274874613 378910877 /nfs/dbraw/zinc/91/08/77/378910877.db2.gz LKUKBNHZDWNTKX-SWLSCSKDSA-N 0 3 267.319 3.351 20 30 CGEDHN Cn1cc(CN2CC[C@@H](c3ccccc3F)C2)cc1C#N ZINC000276764256 378993878 /nfs/dbraw/zinc/99/38/78/378993878.db2.gz NISWSZXUMXVPQE-CQSZACIVSA-N 0 3 283.350 3.025 20 30 CGEDHN C[C@H](F)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000370584015 379034878 /nfs/dbraw/zinc/03/48/78/379034878.db2.gz NDPQRXYLCYJBCA-ZDUSSCGKSA-N 0 3 276.355 3.150 20 30 CGEDHN C=CCCCNCc1cc(OC)c(O)cc1Cl ZINC000639120686 379044029 /nfs/dbraw/zinc/04/40/29/379044029.db2.gz YNINIKNSVIYFOS-UHFFFAOYSA-N 0 3 255.745 3.110 20 30 CGEDHN CO[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000371736483 379174936 /nfs/dbraw/zinc/17/49/36/379174936.db2.gz XHSVNACVVRYIIH-MRXNPFEDSA-N 0 3 277.795 3.192 20 30 CGEDHN C=CC[C@@H]1N(Cc2cn3cccnc3n2)CCCC1(C)C ZINC000277749222 379227111 /nfs/dbraw/zinc/22/71/11/379227111.db2.gz LLPOOOOEZJXDCJ-HNNXBMFYSA-N 0 3 284.407 3.296 20 30 CGEDHN CC[C@@H](NC[C@H](O)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278902245 194204300 /nfs/dbraw/zinc/20/43/00/194204300.db2.gz ZLJRRXMKNWSVIL-CVEARBPZSA-N 0 3 284.359 3.234 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OCC(F)(F)F)C1 ZINC000349821097 379401806 /nfs/dbraw/zinc/40/18/06/379401806.db2.gz ISRPBPDUBPWIJY-DGCLKSJQSA-N 0 3 298.308 3.410 20 30 CGEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349821397 379402325 /nfs/dbraw/zinc/40/23/25/379402325.db2.gz KVROFESWCFIGFZ-CVEARBPZSA-N 0 3 294.402 3.271 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349851374 379421293 /nfs/dbraw/zinc/42/12/93/379421293.db2.gz GXJSTKVGRVSFNO-DZGCQCFKSA-N 0 3 256.349 3.033 20 30 CGEDHN C=CCC[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279398666 379426125 /nfs/dbraw/zinc/42/61/25/379426125.db2.gz CSKOWVSUHILPIF-OLZOCXBDSA-N 0 3 285.395 3.180 20 30 CGEDHN C=CCC[C@H](C)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279398684 379426930 /nfs/dbraw/zinc/42/69/30/379426930.db2.gz CSKOWVSUHILPIF-STQMWFEESA-N 0 3 285.395 3.180 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(CC3CCC3)CC2)CCC1 ZINC000351053520 379629375 /nfs/dbraw/zinc/62/93/75/379629375.db2.gz RALAPHIOXXNKDN-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCCOC1 ZINC000352202173 379754307 /nfs/dbraw/zinc/75/43/07/379754307.db2.gz ILBGYROHOYTZAB-OAHLLOKOSA-N 0 3 272.392 3.099 20 30 CGEDHN C[C@@H](CCC#N)N(C)CCOc1cccc(Cl)c1 ZINC000351607057 379728503 /nfs/dbraw/zinc/72/85/03/379728503.db2.gz GTXMHAIIVMGNMG-LBPRGKRZSA-N 0 3 266.772 3.343 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1cccc(Br)c1 ZINC000351616750 379732285 /nfs/dbraw/zinc/73/22/85/379732285.db2.gz VASDZMMEBZKRFQ-AWEZNQCLSA-N 0 3 298.224 3.208 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nn(CC)c2ccccc12 ZINC000280629347 379750679 /nfs/dbraw/zinc/75/06/79/379750679.db2.gz LVXAAQGCEOJZKE-KDOFPFPSSA-N 0 3 299.418 3.127 20 30 CGEDHN C=C(C)CCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000352403361 379796580 /nfs/dbraw/zinc/79/65/80/379796580.db2.gz VBEMPIOGGRXWGI-ZDUSSCGKSA-N 0 3 264.344 3.030 20 30 CGEDHN CC[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000281542478 379839221 /nfs/dbraw/zinc/83/92/21/379839221.db2.gz WZUMXOLCNJUTCE-BBRMVZONSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCOCCCN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352431886 379813458 /nfs/dbraw/zinc/81/34/58/379813458.db2.gz MXSVYUNJUCTCMC-UHFFFAOYSA-N 0 3 287.403 3.135 20 30 CGEDHN C=CCN1CC[C@H](N2C[C@@H](C)CC[C@@H]2c2ccccc2)C1=O ZINC000352801903 379968534 /nfs/dbraw/zinc/96/85/34/379968534.db2.gz UJQUSHIWIIZBHI-JQHSSLGASA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCCC[C@H](C)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641233934 379968911 /nfs/dbraw/zinc/96/89/11/379968911.db2.gz OQVZYFNYXUHYBL-WCQYABFASA-N 0 3 250.390 3.241 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2OCCc3ccccc32)cc1F ZINC000404265175 379978916 /nfs/dbraw/zinc/97/89/16/379978916.db2.gz VLHVVYDDZZBHAX-GOSISDBHSA-N 0 3 296.345 3.101 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cccc(C#N)c1F ZINC000352884951 380017698 /nfs/dbraw/zinc/01/76/98/380017698.db2.gz BXJUKZBSPOXVON-CYBMUJFWSA-N 0 3 298.361 3.466 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc2c[nH]nc21 ZINC000352927525 380043645 /nfs/dbraw/zinc/04/36/45/380043645.db2.gz ANUHAISLGKRZOG-UHFFFAOYSA-N 0 3 281.359 3.387 20 30 CGEDHN C=CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285402609 380149007 /nfs/dbraw/zinc/14/90/07/380149007.db2.gz CQGVMFLFGAWCCF-GFCCVEGCSA-N 0 3 260.164 3.193 20 30 CGEDHN C=CCN(CCc1cncs1)CCc1ccccc1 ZINC000411199625 380134525 /nfs/dbraw/zinc/13/45/25/380134525.db2.gz ZZUXUNNGNWMCDB-UHFFFAOYSA-N 0 3 272.417 3.416 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(C#N)c(F)c1 ZINC000414159802 380195295 /nfs/dbraw/zinc/19/52/95/380195295.db2.gz BYKZQNFYDRUUOP-LLVKDONJSA-N 0 3 259.328 3.288 20 30 CGEDHN Cc1nc(C)c([C@@H](C)NCC(C)(C)CC#N)s1 ZINC000414162199 380195441 /nfs/dbraw/zinc/19/54/41/380195441.db2.gz GSRNGHSIDSMOTC-SECBINFHSA-N 0 3 251.399 3.350 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(F)(F)F)c(C)c1 ZINC000414469073 380248358 /nfs/dbraw/zinc/24/83/58/380248358.db2.gz LNNQYHUVGQLEEW-KGLIPLIRSA-N 0 3 285.309 3.447 20 30 CGEDHN CO[C@]1(C)C[C@H](N(C)Cc2ccc(C#N)cc2)C1(C)C ZINC000353956959 380252631 /nfs/dbraw/zinc/25/26/31/380252631.db2.gz NAEBGOLGEHVDQY-DOTOQJQBSA-N 0 3 272.392 3.194 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ccn(C)n1 ZINC000414301414 380211664 /nfs/dbraw/zinc/21/16/64/380211664.db2.gz MWRXYILWJIETIT-GOEBONIOSA-N 0 3 269.392 3.258 20 30 CGEDHN COc1cc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353596006 380215047 /nfs/dbraw/zinc/21/50/47/380215047.db2.gz LXFCCKHJADRBSD-PXAZEXFGSA-N 0 3 293.370 3.300 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1ccc(C#N)nc1)C(C)C ZINC000354204808 380363811 /nfs/dbraw/zinc/36/38/11/380363811.db2.gz PEAWCHSMNIZZKF-KRWDZBQOSA-N 0 3 284.407 3.064 20 30 CGEDHN CC[C@@H](CC(F)(F)F)NCc1cccc(C#N)c1 ZINC000354644731 380511837 /nfs/dbraw/zinc/51/18/37/380511837.db2.gz BYEIGQNLWFABEE-LBPRGKRZSA-N 0 3 256.271 3.379 20 30 CGEDHN N#Cc1ccc(CNCc2cccc(-n3ccnc3)c2)cc1 ZINC000355703400 380755204 /nfs/dbraw/zinc/75/52/04/380755204.db2.gz RLCDWJSVIMDEGZ-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN N#Cc1ccc(CNCc2cccc(-n3ccnc3)c2)s1 ZINC000355706327 380755820 /nfs/dbraw/zinc/75/58/20/380755820.db2.gz PGQAWKVGKTYFPC-UHFFFAOYSA-N 0 3 294.383 3.095 20 30 CGEDHN CC(C)C[C@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000355758889 380769677 /nfs/dbraw/zinc/76/96/77/380769677.db2.gz MZIVRUWXCVYFNH-INIZCTEOSA-N 0 3 285.435 3.110 20 30 CGEDHN CN(C)C1(CNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000419011034 380763019 /nfs/dbraw/zinc/76/30/19/380763019.db2.gz RHARDPSFBBUCGH-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN C[C@@H](N[C@@H](CCO)C(C)(C)C)c1ccc(C#N)cc1F ZINC000355745332 380766680 /nfs/dbraw/zinc/76/66/80/380766680.db2.gz ZSBQFCHTFXJEPE-ABAIWWIYSA-N 0 3 278.371 3.145 20 30 CGEDHN C=CCN(CCC[C@H]1CCOC1)Cc1ccc(OC)cc1 ZINC000645780473 380729447 /nfs/dbraw/zinc/72/94/47/380729447.db2.gz SQIOPRYOFCSLMC-KRWDZBQOSA-N 0 3 289.419 3.500 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355777072 380775363 /nfs/dbraw/zinc/77/53/63/380775363.db2.gz CFMNRODJSJICEY-MCIONIFRSA-N 0 3 272.392 3.433 20 30 CGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000419375983 380819174 /nfs/dbraw/zinc/81/91/74/380819174.db2.gz SJCDUSHMEQVIKD-FRRDWIJNSA-N 0 3 296.374 3.085 20 30 CGEDHN CCc1cc(OC)ccc1CNCc1ccc(C#N)s1 ZINC000421348108 380888257 /nfs/dbraw/zinc/88/82/57/380888257.db2.gz DZGGXMQYWWHAEJ-UHFFFAOYSA-N 0 3 286.400 3.481 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1nc(C)cnc1C)C(C)C ZINC000358258926 381298837 /nfs/dbraw/zinc/29/88/37/381298837.db2.gz SITWPRNGXQUADX-MRXNPFEDSA-N 0 3 288.439 3.204 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000334804202 207108126 /nfs/dbraw/zinc/10/81/26/207108126.db2.gz LFZXQNJCQKBAJK-HOCLYGCPSA-N 0 3 290.794 3.213 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000357826544 381285121 /nfs/dbraw/zinc/28/51/21/381285121.db2.gz LYRKNJREAPJYBX-JTNHKYCSSA-N 0 3 272.348 3.054 20 30 CGEDHN CC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCCC1 ZINC000358567860 381316054 /nfs/dbraw/zinc/31/60/54/381316054.db2.gz KCJIIFKMNZQZJW-ZFWWWQNUSA-N 0 3 289.398 3.222 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000358620496 381319498 /nfs/dbraw/zinc/31/94/98/381319498.db2.gz MLMBHYJJENGKPS-UHFFFAOYSA-N 0 3 292.448 3.217 20 30 CGEDHN COc1cccc([C@@H]2C[C@H](C)CN2CCCC#N)c1 ZINC000360464435 381552360 /nfs/dbraw/zinc/55/23/60/381552360.db2.gz CEAGBUAIQIMSCS-BBRMVZONSA-N 0 3 258.365 3.382 20 30 CGEDHN N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1ccccn1 ZINC000361282260 381675864 /nfs/dbraw/zinc/67/58/64/381675864.db2.gz TVEPPDSYGQDJDQ-ZDUSSCGKSA-N 0 3 298.729 3.160 20 30 CGEDHN N#CC(C(=O)c1cc(Cl)cc2c1OCC2)c1ccccn1 ZINC000361282260 381675871 /nfs/dbraw/zinc/67/58/71/381675871.db2.gz TVEPPDSYGQDJDQ-ZDUSSCGKSA-N 0 3 298.729 3.160 20 30 CGEDHN CCc1nc([C@H](C)NCCCSCC#N)cs1 ZINC000184677448 262025700 /nfs/dbraw/zinc/02/57/00/262025700.db2.gz NWFRYWZDOLNTNF-JTQLQIEISA-N 0 3 269.439 3.003 20 30 CGEDHN COCCN(Cc1cccc(C#N)c1F)[C@H]1CC[C@@H](C)C1 ZINC000362159179 381891242 /nfs/dbraw/zinc/89/12/42/381891242.db2.gz UTHCRTUKVLSMIP-CJNGLKHVSA-N 0 3 290.382 3.334 20 30 CGEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000362378335 381963120 /nfs/dbraw/zinc/96/31/20/381963120.db2.gz DOZHQBARMOYTSQ-JSGCOSHPSA-N 0 3 295.452 3.005 20 30 CGEDHN CC(C)[C@H]1CN(CCOc2ccc(C#N)cc2)CCS1 ZINC000362385199 381969214 /nfs/dbraw/zinc/96/92/14/381969214.db2.gz UKBSECBYPQDZSE-MRXNPFEDSA-N 0 3 290.432 3.010 20 30 CGEDHN N#CCCCCN1CCC(C(=O)c2cccs2)CC1 ZINC000365794490 382295312 /nfs/dbraw/zinc/29/53/12/382295312.db2.gz RJNAOERXJYJUON-UHFFFAOYSA-N 0 3 276.405 3.337 20 30 CGEDHN COc1ccc2c(c1)CCN(Cc1ccc(C#N)s1)CC2 ZINC000368958872 382383356 /nfs/dbraw/zinc/38/33/56/382383356.db2.gz ZXRFKDIUZWFJIJ-UHFFFAOYSA-N 0 3 298.411 3.229 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000334681290 533116231 /nfs/dbraw/zinc/11/62/31/533116231.db2.gz LDKUZSLWAPAKAX-RYUDHWBXSA-N 0 3 252.317 3.177 20 30 CGEDHN COC(=O)C(C)(C)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365289 533126735 /nfs/dbraw/zinc/12/67/35/533126735.db2.gz JVKQPTFRDDKXIA-ZDUSSCGKSA-N 0 3 288.391 3.140 20 30 CGEDHN C=CCOCCNCc1ccc(Br)cc1C ZINC000309890639 542427952 /nfs/dbraw/zinc/42/79/52/542427952.db2.gz CJZVRIOBTZUDCC-UHFFFAOYSA-N 0 3 284.197 3.050 20 30 CGEDHN C=CC[C@H](CO)NCc1c(CC)oc2ccccc21 ZINC000320784537 542439650 /nfs/dbraw/zinc/43/96/50/542439650.db2.gz RYMLPWFPUAEIIV-GFCCVEGCSA-N 0 3 259.349 3.022 20 30 CGEDHN COCc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000281469643 195253766 /nfs/dbraw/zinc/25/37/66/195253766.db2.gz BKLALBKMAQLGQB-UHFFFAOYSA-N 0 3 296.370 3.003 20 30 CGEDHN C=C(C)CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334513757 262267575 /nfs/dbraw/zinc/26/75/75/262267575.db2.gz MXESHKKRJNGGHR-LBPRGKRZSA-N 0 3 277.330 3.244 20 30 CGEDHN COc1cccc([C@H](C)NCc2ccc(C#N)c(OC)c2)c1 ZINC000281674270 195331873 /nfs/dbraw/zinc/33/18/73/195331873.db2.gz LTYWJMAWYPSMAX-ZDUSSCGKSA-N 0 3 296.370 3.426 20 30 CGEDHN COc1cc(CNC[C@H](C)Oc2ccccc2)ccc1C#N ZINC000281792027 195384037 /nfs/dbraw/zinc/38/40/37/195384037.db2.gz UPSFHISOMLJZTR-AWEZNQCLSA-N 0 3 296.370 3.124 20 30 CGEDHN COc1ccc2oc([C@@H](C)NC(=O)C(C)C#N)c(C)c2c1 ZINC000347140416 533357887 /nfs/dbraw/zinc/35/78/87/533357887.db2.gz TTYHHCBPCQKOOC-MWLCHTKSSA-N 0 3 286.331 3.087 20 30 CGEDHN C=CCOCCNCc1ccc2cc(OC)ccc2c1 ZINC000380423451 542595231 /nfs/dbraw/zinc/59/52/31/542595231.db2.gz KNHXKMKLRPSKSZ-UHFFFAOYSA-N 0 3 271.360 3.141 20 30 CGEDHN COc1ccc([C@H](NCc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000190712744 130139059 /nfs/dbraw/zinc/13/90/59/130139059.db2.gz SSXKFZVXHMABPH-GOSISDBHSA-N 0 3 295.386 3.146 20 30 CGEDHN C#CCCOc1ccc(CN2CC[C@@H](OC)C[C@@H]2C)cc1 ZINC000282178865 392284336 /nfs/dbraw/zinc/28/43/36/392284336.db2.gz FNDDVLUSZYUAIA-MAUKXSAKSA-N 0 3 287.403 3.088 20 30 CGEDHN C=CCN(CCc1cscn1)Cc1cccc(C#N)c1 ZINC000283654469 392307502 /nfs/dbraw/zinc/30/75/02/392307502.db2.gz BJUQWWGMZXGHHQ-UHFFFAOYSA-N 0 3 283.400 3.245 20 30 CGEDHN N#Cc1cccc(OC2CCN(CCCCF)CC2)c1 ZINC000285876348 392343177 /nfs/dbraw/zinc/34/31/77/392343177.db2.gz FIVGWABXQLSZPQ-UHFFFAOYSA-N 0 3 276.355 3.151 20 30 CGEDHN C=CCC[C@@H](O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000245995465 131090347 /nfs/dbraw/zinc/09/03/47/131090347.db2.gz HLWUYVSCEXSKPQ-HUUCEWRRSA-N 0 3 295.448 3.056 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000289602746 392427151 /nfs/dbraw/zinc/42/71/51/392427151.db2.gz CQZWTTQACDYMMG-CRAIPNDOSA-N 0 3 297.398 3.463 20 30 CGEDHN C=CCC[C@@H](CC)NCc1csc(COC)n1 ZINC000289804830 392433430 /nfs/dbraw/zinc/43/34/30/392433430.db2.gz ODPJNNHLJNAOPY-LLVKDONJSA-N 0 3 254.399 3.124 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1nnc(CC)s1 ZINC000290095428 392441322 /nfs/dbraw/zinc/44/13/22/392441322.db2.gz HQIBXMKLMVYNCL-LLVKDONJSA-N 0 3 253.415 3.325 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290366833 392446786 /nfs/dbraw/zinc/44/67/86/392446786.db2.gz GUGYQYZCZQTMFD-BBRMVZONSA-N 0 3 292.398 3.147 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(Cl)cc1 ZINC000121120844 392409464 /nfs/dbraw/zinc/40/94/64/392409464.db2.gz YCNNJNITEDDBEE-CQSZACIVSA-N 0 3 253.773 3.099 20 30 CGEDHN COc1ccc(CC2CCN(CCCC#N)CC2)cc1 ZINC000155178812 392539911 /nfs/dbraw/zinc/53/99/11/392539911.db2.gz MAKOZCMZIZUESD-UHFFFAOYSA-N 0 3 272.392 3.253 20 30 CGEDHN CC(C)c1scnc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000329406926 392680508 /nfs/dbraw/zinc/68/05/08/392680508.db2.gz CFVLLWLMZUFHON-WDEREUQCSA-N 0 3 296.440 3.075 20 30 CGEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2CC=CCC2)CC1 ZINC000334234194 392713020 /nfs/dbraw/zinc/71/30/20/392713020.db2.gz ZBJGOWHPEFMNNC-MRXNPFEDSA-N 0 3 281.403 3.295 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](OCC(C)C)C1 ZINC000186256978 392780686 /nfs/dbraw/zinc/78/06/86/392780686.db2.gz VRQRRLHCGZUKDY-KRWDZBQOSA-N 0 3 272.392 3.114 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCS[C@@H](C(C)C)C1 ZINC000186245780 392780820 /nfs/dbraw/zinc/78/08/20/392780820.db2.gz CTYJIAWYSZGGDD-MRXNPFEDSA-N 0 3 274.433 3.440 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc(O)c1 ZINC000186321687 392782754 /nfs/dbraw/zinc/78/27/54/392782754.db2.gz MRRAADLQXCPICV-ZDUSSCGKSA-N 0 3 266.344 3.423 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000335730498 392812427 /nfs/dbraw/zinc/81/24/27/392812427.db2.gz STUIEPBDZDFWBR-WBMJQRKESA-N 0 3 281.359 3.381 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000335755653 392813978 /nfs/dbraw/zinc/81/39/78/392813978.db2.gz YFDSJLHQGWMRJE-LLVKDONJSA-N 0 3 276.767 3.206 20 30 CGEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cn1 ZINC000519806586 392895280 /nfs/dbraw/zinc/89/52/80/392895280.db2.gz UIELCVGXXVEPPD-CJNGLKHVSA-N 0 3 295.361 3.470 20 30 CGEDHN C=CCOCCN1CC=C(c2ccccc2OCC)CC1 ZINC000338932818 392936793 /nfs/dbraw/zinc/93/67/93/392936793.db2.gz DHBNAMKFWOMCPY-UHFFFAOYSA-N 0 3 287.403 3.377 20 30 CGEDHN CN(C)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000338797187 392929170 /nfs/dbraw/zinc/92/91/70/392929170.db2.gz XNPARIAFUVSNGF-WQVCFCJDSA-N 0 3 291.826 3.225 20 30 CGEDHN CCOc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000339070504 392944951 /nfs/dbraw/zinc/94/49/51/392944951.db2.gz ZDZKSHCXSPMPJJ-YDHLFZDLSA-N 0 3 288.391 3.437 20 30 CGEDHN CC#CCN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000525625542 392940242 /nfs/dbraw/zinc/94/02/42/392940242.db2.gz RTNJSZSYMHKNPO-UHFFFAOYSA-N 0 3 269.388 3.389 20 30 CGEDHN CCC[C@@]1(COC)CCCN1Cc1cc(C#N)ccc1F ZINC000194937748 392947284 /nfs/dbraw/zinc/94/72/84/392947284.db2.gz KPCCXWCEZLWHDK-KRWDZBQOSA-N 0 3 290.382 3.478 20 30 CGEDHN COc1ccc([C@H](NCc2ccc(C#N)cc2)C2CC2)cn1 ZINC000527842379 392961371 /nfs/dbraw/zinc/96/13/71/392961371.db2.gz XNABFGABNZBFHB-GOSISDBHSA-N 0 3 293.370 3.203 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCCC3)O2)cc1F ZINC000404097418 392962581 /nfs/dbraw/zinc/96/25/81/392962581.db2.gz BLPOZSPPAUBZQS-HNNXBMFYSA-N 0 3 288.366 3.279 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000404582256 392968187 /nfs/dbraw/zinc/96/81/87/392968187.db2.gz HFKHFLQODLFENV-HOTGVXAUSA-N 0 3 288.366 3.135 20 30 CGEDHN COC[C@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000411810580 392988845 /nfs/dbraw/zinc/98/88/45/392988845.db2.gz QWDFTHHLPWAPMZ-OAHLLOKOSA-N 0 3 264.413 3.351 20 30 CGEDHN N#CCc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411921154 392990909 /nfs/dbraw/zinc/99/09/09/392990909.db2.gz HFVDADQRNWOCGL-RBUKOAKNSA-N 0 3 292.382 3.061 20 30 CGEDHN COc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000412024037 392993161 /nfs/dbraw/zinc/99/31/61/392993161.db2.gz BCSNTBGUJTZDCA-YPMHNXCESA-N 0 3 278.783 3.473 20 30 CGEDHN CCN(CCC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412177343 392998483 /nfs/dbraw/zinc/99/84/83/392998483.db2.gz LSXOTDOMVBICKT-UHFFFAOYSA-N 0 3 299.418 3.048 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000342829063 393008483 /nfs/dbraw/zinc/00/84/83/393008483.db2.gz ZNLPKWUTVVEKNZ-QZTJIDSGSA-N 0 3 287.403 3.395 20 30 CGEDHN C=CCCCCCN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000346339240 393083580 /nfs/dbraw/zinc/08/35/80/393083580.db2.gz PGNNNKAXTVGXRK-GASCZTMLSA-N 0 3 266.429 3.064 20 30 CGEDHN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(C)C#N ZINC000346418836 393087334 /nfs/dbraw/zinc/08/73/34/393087334.db2.gz WXPSDHRUKWVQKU-AWEZNQCLSA-N 0 3 293.370 3.257 20 30 CGEDHN CCOc1cccc2cc([C@@H](C)NC(=O)C(C)C#N)oc21 ZINC000345650306 393061873 /nfs/dbraw/zinc/06/18/73/393061873.db2.gz CEKOGNHFWHGJAT-GHMZBOCLSA-N 0 3 286.331 3.168 20 30 CGEDHN Cc1ccc(CCN(CC(F)(F)F)C(=O)C(C)C#N)cc1 ZINC000346216878 393079791 /nfs/dbraw/zinc/07/97/91/393079791.db2.gz HRQMOADKXAUMLH-LBPRGKRZSA-N 0 3 298.308 3.088 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCN2CCCC[C@@H]2C)c1 ZINC000273234254 393273844 /nfs/dbraw/zinc/27/38/44/393273844.db2.gz RZOGYPLBVGUSRO-ZDUSSCGKSA-N 0 3 285.391 3.047 20 30 CGEDHN COc1cc(CNCCSCC(C)C)ccc1C#N ZINC000281665259 393352130 /nfs/dbraw/zinc/35/21/30/393352130.db2.gz LCADNHCKVITCGB-UHFFFAOYSA-N 0 3 278.421 3.046 20 30 CGEDHN Cc1cc(CN(C)CCc2ccccc2O)ccc1C#N ZINC000488298104 393481814 /nfs/dbraw/zinc/48/18/14/393481814.db2.gz MKKKEXFAGVDLPL-UHFFFAOYSA-N 0 3 280.371 3.247 20 30 CGEDHN C=CC[C@@H](C(=O)NCCN(C)CCCC)c1ccccc1 ZINC000426835148 393451845 /nfs/dbraw/zinc/45/18/45/393451845.db2.gz QDACDJWSZVGAQJ-QGZVFWFLSA-N 0 3 288.435 3.194 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000358044832 393519026 /nfs/dbraw/zinc/51/90/26/393519026.db2.gz IJESVSZXEGUGGA-MNOVXSKESA-N 0 3 267.344 3.458 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000359533380 393550343 /nfs/dbraw/zinc/55/03/43/393550343.db2.gz AFCSEOLWRUYEAR-ZNMIVQPWSA-N 0 3 292.423 3.427 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](CC(C)C)C1 ZINC000501212134 393848451 /nfs/dbraw/zinc/84/84/51/393848451.db2.gz UZFZIRFINBXPBL-OAHLLOKOSA-N 0 3 272.392 3.435 20 30 CGEDHN CCO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000451526758 394045823 /nfs/dbraw/zinc/04/58/23/394045823.db2.gz GXZLHXBJZHNDDU-JKIFEVAISA-N 0 3 272.392 3.366 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453422230 394242856 /nfs/dbraw/zinc/24/28/56/394242856.db2.gz XFFZDUYBHRFAIS-HFBAOOFYSA-N 0 3 276.355 3.306 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(O[C@H](C)COC)cc1 ZINC000667943546 542946956 /nfs/dbraw/zinc/94/69/56/542946956.db2.gz SUDRRILDVSLMDT-CQSZACIVSA-N 0 3 263.381 3.108 20 30 CGEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)CCCCC)CC1 ZINC000743490714 572666642 /nfs/dbraw/zinc/66/66/42/572666642.db2.gz VKPQCYBDLAOQPD-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C[C@H](C1CC1)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000735309898 572714127 /nfs/dbraw/zinc/71/41/27/572714127.db2.gz MZNWBZXWNOOUBV-LLVKDONJSA-N 0 3 278.783 3.473 20 30 CGEDHN Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000062051271 397637573 /nfs/dbraw/zinc/63/75/73/397637573.db2.gz WVSOHCKZVXHMRY-AWEZNQCLSA-N 0 3 281.359 3.143 20 30 CGEDHN CC(C)(C)CN(CC#Cc1ccccc1Cl)CCO ZINC000676715513 543412896 /nfs/dbraw/zinc/41/28/96/543412896.db2.gz OHVWGESKBKVRIE-UHFFFAOYSA-N 0 3 279.811 3.032 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000678049840 543479381 /nfs/dbraw/zinc/47/93/81/543479381.db2.gz OZVJCOAMHBEBJL-MRXNPFEDSA-N 0 3 277.795 3.366 20 30 CGEDHN COCC#CCN[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000678765393 543553969 /nfs/dbraw/zinc/55/39/69/543553969.db2.gz OSKRGGHDMMGFMG-AWEZNQCLSA-N 0 3 277.433 3.488 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000678714890 543549885 /nfs/dbraw/zinc/54/98/85/543549885.db2.gz XHGFFHVPQFYVEI-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000678731009 543551551 /nfs/dbraw/zinc/55/15/51/543551551.db2.gz ILELDFBLBPISEP-GUYCJALGSA-N 0 3 259.393 3.153 20 30 CGEDHN N#Cc1cccc(CNCc2cccc(OC(F)F)c2)c1 ZINC000066971944 165039405 /nfs/dbraw/zinc/03/94/05/165039405.db2.gz YWBOBDUUXLPABR-UHFFFAOYSA-N 0 3 288.297 3.449 20 30 CGEDHN CCN(Cc1cn2ccccc2c1C#N)CC1CC1 ZINC000070013101 165056195 /nfs/dbraw/zinc/05/61/95/165056195.db2.gz AZDAIUGGBQYALJ-UHFFFAOYSA-N 0 3 253.349 3.043 20 30 CGEDHN Cc1nc(C)c(CN[C@H](C)c2ccc(C#N)cc2)s1 ZINC000080693185 165157321 /nfs/dbraw/zinc/15/73/21/165157321.db2.gz FDUBAHQXKPWJEE-SNVBAGLBSA-N 0 3 271.389 3.482 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2cccc(F)c2)o1 ZINC000092121045 165283835 /nfs/dbraw/zinc/28/38/35/165283835.db2.gz WGIZVIWYLULZPH-OAHLLOKOSA-N 0 3 284.334 3.497 20 30 CGEDHN C[C@@H](c1cccnc1)N(C)CCCOc1cccc(C#N)c1 ZINC000093236012 165324353 /nfs/dbraw/zinc/32/43/53/165324353.db2.gz QABLDBITJOFUPB-HNNXBMFYSA-N 0 3 295.386 3.415 20 30 CGEDHN N#Cc1cc(F)c(NCCN2CCCCCC2)c(F)c1 ZINC000094195383 165347271 /nfs/dbraw/zinc/34/72/71/165347271.db2.gz WWRSCHRGCFEGAD-UHFFFAOYSA-N 0 3 279.334 3.124 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCOC[C@H](C2CCC2)C1 ZINC000292141315 287131535 /nfs/dbraw/zinc/13/15/35/287131535.db2.gz MLKDVRFEAUZISU-KBXCAEBGSA-N 0 3 284.403 3.368 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccncc1)c1ccc(C#N)cc1 ZINC000020121201 171000641 /nfs/dbraw/zinc/00/06/41/171000641.db2.gz NAZVKCGZZNWDEU-OLZOCXBDSA-N 0 3 251.333 3.365 20 30 CGEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccnc1 ZINC000037229074 173048455 /nfs/dbraw/zinc/04/84/55/173048455.db2.gz LSXWMGYTKPGWBZ-CHWSQXEVSA-N 0 3 251.333 3.365 20 30 CGEDHN C[C@H]1SCCN(CCCOc2cccc(C#N)c2)[C@@H]1C ZINC000127298749 287285239 /nfs/dbraw/zinc/28/52/39/287285239.db2.gz ZOVHINVMHSBWAR-ZIAGYGMSSA-N 0 3 290.432 3.153 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCC(=O)OC(C)(C)C ZINC000128194093 287305476 /nfs/dbraw/zinc/30/54/76/287305476.db2.gz LYEVYPGMPHIABQ-ZDUSSCGKSA-N 0 3 288.391 3.283 20 30 CGEDHN Cc1ccc(O)c(CN(C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425364723 416565146 /nfs/dbraw/zinc/56/51/46/416565146.db2.gz HHFWYVMTDAHZRJ-CYBMUJFWSA-N 0 3 281.359 3.160 20 30 CGEDHN C=CCOCCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000679576169 543648465 /nfs/dbraw/zinc/64/84/65/543648465.db2.gz JSDWOOONPQQHRO-AWEZNQCLSA-N 0 3 281.783 3.346 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(c2ccccc2C)CC1 ZINC000680433128 543710597 /nfs/dbraw/zinc/71/05/97/543710597.db2.gz OMKFBFKUOGFMLO-KRWDZBQOSA-N 0 3 259.393 3.111 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc(Cl)ccc1OCC1CC1 ZINC000684663830 544024196 /nfs/dbraw/zinc/02/41/96/544024196.db2.gz CIWCTAKSRSGKAG-HNNXBMFYSA-N 0 3 295.810 3.155 20 30 CGEDHN COc1cc([C@H](C)NCC(C)(C)CCC#N)c(F)cn1 ZINC000348219644 226426133 /nfs/dbraw/zinc/42/61/33/226426133.db2.gz CUXIJPGCFUWVDN-NSHDSACASA-N 0 3 279.359 3.210 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000335759320 226776512 /nfs/dbraw/zinc/77/65/12/226776512.db2.gz NAFNPNYMLHIUQT-HZMBPMFUSA-N 0 3 276.767 3.057 20 30 CGEDHN C[C@H](C#N)CN[C@H]1CCc2cccc(Br)c2C1 ZINC000336613684 227180680 /nfs/dbraw/zinc/18/06/80/227180680.db2.gz KTMLOVHDALIHHH-PWSUYJOCSA-N 0 3 293.208 3.056 20 30 CGEDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1ccon1 ZINC000329194195 227348371 /nfs/dbraw/zinc/34/83/71/227348371.db2.gz UNICKBGZCIWUHZ-FZMZJTMJSA-N 0 3 277.368 3.099 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1NCc2ccccc21 ZINC000659331117 418976541 /nfs/dbraw/zinc/97/65/41/418976541.db2.gz DANVHINQBALANY-ZTFGCOKTSA-N 0 3 298.430 3.472 20 30 CGEDHN C=CCCCCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654666958 418993948 /nfs/dbraw/zinc/99/39/48/418993948.db2.gz IAFJLHLORJBQLV-JKSUJKDBSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CCCCCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654666955 418993972 /nfs/dbraw/zinc/99/39/72/418993972.db2.gz IAFJLHLORJBQLV-CVEARBPZSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CCN(CCOC)Cc1cccc(SC)c1 ZINC000660404292 419137336 /nfs/dbraw/zinc/13/73/36/419137336.db2.gz XKSBDLALYLAQGA-UHFFFAOYSA-N 0 3 251.395 3.043 20 30 CGEDHN C=C(C)CN1CCCN(c2cccc(F)c2F)CC1 ZINC000660667805 419181303 /nfs/dbraw/zinc/18/13/03/419181303.db2.gz QKRIDLQELLVPIA-UHFFFAOYSA-N 0 3 266.335 3.053 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000661378536 419255258 /nfs/dbraw/zinc/25/52/58/419255258.db2.gz IKKOPRAITFBRNF-HNNXBMFYSA-N 0 3 286.419 3.177 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000661387609 419256490 /nfs/dbraw/zinc/25/64/90/419256490.db2.gz YZAJNBIVQZENJP-CQSZACIVSA-N 0 3 261.413 3.426 20 30 CGEDHN C=CCCn1cc(CN[C@H](C)[C@@H]2CC3CCC2CC3)nn1 ZINC000657503371 419296079 /nfs/dbraw/zinc/29/60/79/419296079.db2.gz GPBNXSAILGPQGH-VXTDNTOSSA-N 0 3 288.439 3.159 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc2n(n1)CCC2 ZINC000657530426 419299504 /nfs/dbraw/zinc/29/95/04/419299504.db2.gz PIXAKNQSFIXVHT-BBRMVZONSA-N 0 3 259.397 3.054 20 30 CGEDHN C=CCC1(NCC(=O)Nc2ccccc2OC)CCCC1 ZINC000661867830 419309122 /nfs/dbraw/zinc/30/91/22/419309122.db2.gz ZQPGWELEGMNBTG-UHFFFAOYSA-N 0 3 288.391 3.112 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)C2(CO)CC2)cc1Cl ZINC000657604310 419312362 /nfs/dbraw/zinc/31/23/62/419312362.db2.gz UUOUQUCCDWZITC-GFCCVEGCSA-N 0 3 295.810 3.155 20 30 CGEDHN C=CCOc1ccc(CNC[C@H]2CCC[C@@H](C)O2)cc1 ZINC000657665804 419323454 /nfs/dbraw/zinc/32/34/54/419323454.db2.gz QJUQGPZZHCPRFG-RHSMWYFYSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H]1CCC[C@@H](C)O1 ZINC000657662485 419321035 /nfs/dbraw/zinc/32/10/35/419321035.db2.gz CUVNXZCYNZOQKN-ZBFHGGJFSA-N 0 3 275.392 3.299 20 30 CGEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000331838346 228131655 /nfs/dbraw/zinc/13/16/55/228131655.db2.gz SIQJAPDECKQGSC-QGZVFWFLSA-N 0 3 294.402 3.430 20 30 CGEDHN Cc1cc([C@H]2CCCN2CCCC(C)(C)C#N)on1 ZINC000332409010 228158365 /nfs/dbraw/zinc/15/83/65/228158365.db2.gz ZFEYJMXZGVRFPL-CYBMUJFWSA-N 0 3 261.369 3.450 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCc1nc2ccccc2c(=O)[nH]1 ZINC000662087899 419334405 /nfs/dbraw/zinc/33/44/05/419334405.db2.gz OSXMKDCQWPNQIE-OKILXGFUSA-N 0 3 295.386 3.061 20 30 CGEDHN C=CCOCCN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662214533 419364815 /nfs/dbraw/zinc/36/48/15/419364815.db2.gz IGLHEXAPHGQNRH-UHFFFAOYSA-N 0 3 285.387 3.129 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662630000 419469409 /nfs/dbraw/zinc/46/94/09/419469409.db2.gz GMGZJCADWZXELR-YOEHRIQHSA-N 0 3 284.403 3.036 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2c1CCNC2 ZINC000662843704 419495498 /nfs/dbraw/zinc/49/54/98/419495498.db2.gz UWGBOCCMSOFDKW-KSSFIOAISA-N 0 3 298.430 3.197 20 30 CGEDHN C=CCCN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000658113944 419589489 /nfs/dbraw/zinc/58/94/89/419589489.db2.gz JSCMTRHLPNXLEY-SNVBAGLBSA-N 0 3 263.772 3.453 20 30 CGEDHN C=CCCN[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000658117249 419592916 /nfs/dbraw/zinc/59/29/16/419592916.db2.gz RSNYYNXGXYAHSL-LLVKDONJSA-N 0 3 290.798 3.456 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nccc(OC)c1F ZINC000658225500 419685277 /nfs/dbraw/zinc/68/52/77/419685277.db2.gz UFIGNBFGYFWDOL-STQMWFEESA-N 0 3 278.371 3.454 20 30 CGEDHN C=CCC[C@H](CCC)NCc1nccc(OC)c1F ZINC000658228449 419685563 /nfs/dbraw/zinc/68/55/63/419685563.db2.gz RZGRVGDUGFNHRO-LBPRGKRZSA-N 0 3 266.360 3.454 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCN(CCC)C1)c1ccco1 ZINC000658287537 419736684 /nfs/dbraw/zinc/73/66/84/419736684.db2.gz ZZYFBNJOHIKGCM-GJZGRUSLSA-N 0 3 262.397 3.361 20 30 CGEDHN C=C(C)[C@@H](NCCc1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000298557669 260156551 /nfs/dbraw/zinc/15/65/51/260156551.db2.gz VOSQVEDBOVEWGM-OAHLLOKOSA-N 0 3 277.318 3.137 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000449248971 260312640 /nfs/dbraw/zinc/31/26/40/260312640.db2.gz KGWTVXACGNOTAL-SWLSCSKDSA-N 0 3 278.371 3.077 20 30 CGEDHN C=C[C@H](C)NCc1ccc(Br)c(F)c1 ZINC000131679618 260409950 /nfs/dbraw/zinc/40/99/50/260409950.db2.gz PGWMIADSKYUBJE-QMMMGPOBSA-N 0 3 258.134 3.252 20 30 CGEDHN C=C[C@@H](C)NCc1cc(Br)cc2c1OCC2 ZINC000156212516 260786266 /nfs/dbraw/zinc/78/62/66/260786266.db2.gz PVABNPMIDMFPBI-SECBINFHSA-N 0 3 282.181 3.048 20 30 CGEDHN C=CCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000103142523 261274441 /nfs/dbraw/zinc/27/44/41/261274441.db2.gz VAGHIDCLOQWXPA-UHFFFAOYSA-N 0 3 270.351 3.451 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104700770 261299171 /nfs/dbraw/zinc/29/91/71/261299171.db2.gz FIKLHYNVXVZKQA-LJQANCHMSA-N 0 3 298.430 3.318 20 30 CGEDHN C=CCNCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000363941014 262045835 /nfs/dbraw/zinc/04/58/35/262045835.db2.gz VXCIFIIZHIRGFW-UHFFFAOYSA-N 0 3 267.332 3.109 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1cc(C)c(Br)s1 ZINC000336761521 262145737 /nfs/dbraw/zinc/14/57/37/262145737.db2.gz NGHWLMNWBRKTGA-IUCAKERBSA-N 0 3 290.226 3.017 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2OC(F)F)C1 ZINC000192627210 262206684 /nfs/dbraw/zinc/20/66/84/262206684.db2.gz DEXRMVOUZHEDAM-AAEUAGOBSA-N 0 3 280.318 3.460 20 30 CGEDHN Cn1cc(CN[C@@H]2CCC[C@@H](C#N)C2)c(-c2ccccc2)n1 ZINC000193278089 262219757 /nfs/dbraw/zinc/21/97/57/262219757.db2.gz JGIQQXHBNXVOLY-RHSMWYFYSA-N 0 3 294.402 3.259 20 30 CGEDHN C=CC1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000111419386 262262642 /nfs/dbraw/zinc/26/26/42/262262642.db2.gz WKASJGUGUGWKAE-UHFFFAOYSA-N 0 3 287.407 3.178 20 30 CGEDHN C=CCCCCCN1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000488454062 262325717 /nfs/dbraw/zinc/32/57/17/262325717.db2.gz YAACUGDYBVLVIB-SJORKVTESA-N 0 3 280.456 3.454 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365279278 262357579 /nfs/dbraw/zinc/35/75/79/262357579.db2.gz XUCIQXFPVBOQCK-UXHICEINSA-N 0 3 291.394 3.406 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1cnccc1C#N)C(C)C ZINC000339017184 262583912 /nfs/dbraw/zinc/58/39/12/262583912.db2.gz ONUPXIXFXGHZRL-KRWDZBQOSA-N 0 3 284.407 3.064 20 30 CGEDHN CCCn1nccc1C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339157822 262605371 /nfs/dbraw/zinc/60/53/71/262605371.db2.gz VXLSTRMUSAESJR-ZBFHGGJFSA-N 0 3 286.423 3.165 20 30 CGEDHN C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000271787983 262999839 /nfs/dbraw/zinc/99/98/39/262999839.db2.gz WFYVVHXAAFDCCB-BMFZPTHFSA-N 0 3 258.365 3.189 20 30 CGEDHN COCCN(CCc1ccccc1)CCC(C)(C)C#N ZINC000272071105 263002047 /nfs/dbraw/zinc/00/20/47/263002047.db2.gz ZCIWFZACQAZOBS-UHFFFAOYSA-N 0 3 274.408 3.117 20 30 CGEDHN CC1(C#N)CCN(CCCc2cccc(F)c2)CC1 ZINC000272623089 263007684 /nfs/dbraw/zinc/00/76/84/263007684.db2.gz VBVRKACSLLVTIV-UHFFFAOYSA-N 0 3 260.356 3.384 20 30 CGEDHN N#CCCCNCc1cccc(-c2ccccn2)c1 ZINC000273031203 263011227 /nfs/dbraw/zinc/01/12/27/263011227.db2.gz GGSDGTOIRUIPKJ-UHFFFAOYSA-N 0 3 251.333 3.142 20 30 CGEDHN C[C@@H](CN(C)CCC(C)(C)C#N)c1nccs1 ZINC000273058010 263011876 /nfs/dbraw/zinc/01/18/76/263011876.db2.gz LRFSIFMJGYCQSO-NSHDSACASA-N 0 3 251.399 3.118 20 30 CGEDHN Cc1cc(Br)ccc1CNCCCC#N ZINC000273051715 263011890 /nfs/dbraw/zinc/01/18/90/263011890.db2.gz KPKCKJSSLHLCIT-UHFFFAOYSA-N 0 3 267.170 3.151 20 30 CGEDHN CC(C)(C)c1cnc(CNCCCCC#N)s1 ZINC000279198416 263053582 /nfs/dbraw/zinc/05/35/82/263053582.db2.gz URCRGANVUYCYOJ-UHFFFAOYSA-N 0 3 251.399 3.224 20 30 CGEDHN CCCCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279498164 263055929 /nfs/dbraw/zinc/05/59/29/263055929.db2.gz QCXVXAOBACHEMU-RHSMWYFYSA-N 0 3 297.402 3.326 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(O)c2nc(C)ccc12 ZINC000340117782 263073165 /nfs/dbraw/zinc/07/31/65/263073165.db2.gz GKPHXUDJCQIPCU-UHFFFAOYSA-N 0 3 268.360 3.423 20 30 CGEDHN C=CCC[C@H](NCCN(C)C(C)C)c1ccco1 ZINC000353501578 263102024 /nfs/dbraw/zinc/10/20/24/263102024.db2.gz ZQZXWXXXUMNODC-AWEZNQCLSA-N 0 3 250.386 3.217 20 30 CGEDHN C=CCC[C@@H](NCCN(C)C(C)C)c1ccco1 ZINC000353501579 263102031 /nfs/dbraw/zinc/10/20/31/263102031.db2.gz ZQZXWXXXUMNODC-CQSZACIVSA-N 0 3 250.386 3.217 20 30 CGEDHN C=CC[C@H](C)NCc1cn2ccc(Br)cc2n1 ZINC000289461323 263110286 /nfs/dbraw/zinc/11/02/86/263110286.db2.gz ICUAINXLMINSTB-JTQLQIEISA-N 0 3 294.196 3.151 20 30 CGEDHN N#CCCOCCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000293293269 263139203 /nfs/dbraw/zinc/13/92/03/263139203.db2.gz YZVIJTMQRCQRMQ-AWEZNQCLSA-N 0 3 278.783 3.060 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000294952372 263169648 /nfs/dbraw/zinc/16/96/48/263169648.db2.gz AXGGAZFWMAQDFL-NSHDSACASA-N 0 3 261.325 3.185 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H](C)CCC#N ZINC000298048877 263214619 /nfs/dbraw/zinc/21/46/19/263214619.db2.gz HPFWTHZKVQLVMN-AWEZNQCLSA-N 0 3 258.365 3.375 20 30 CGEDHN C=CCCC[C@@H](C)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000340893495 263312905 /nfs/dbraw/zinc/31/29/05/263312905.db2.gz KXVQCDSHWSKCQS-NEPJUHHUSA-N 0 3 265.319 3.120 20 30 CGEDHN COCC1(C#N)CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000341976526 263368666 /nfs/dbraw/zinc/36/86/66/263368666.db2.gz KMEQFZHGIPLIFN-OAHLLOKOSA-N 0 3 272.392 3.042 20 30 CGEDHN COCC1(C#N)CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000341972488 263372947 /nfs/dbraw/zinc/37/29/47/263372947.db2.gz FNIPRQQTVPRXJN-OAHLLOKOSA-N 0 3 272.392 3.308 20 30 CGEDHN CC(C)(C#N)CCN1CCC(F)(c2cccnc2)CC1 ZINC000342184132 263394917 /nfs/dbraw/zinc/39/49/17/263394917.db2.gz YNAZAKYHCRZLCH-UHFFFAOYSA-N 0 3 275.371 3.282 20 30 CGEDHN CCCN1CCC(NC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000330903750 264073956 /nfs/dbraw/zinc/07/39/56/264073956.db2.gz QIVCGBUYFKYLEE-UHFFFAOYSA-N 0 3 293.411 3.151 20 30 CGEDHN COC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000090180565 264391964 /nfs/dbraw/zinc/39/19/64/264391964.db2.gz KWKHPVFXMDSYDF-OAHLLOKOSA-N 0 3 297.320 3.072 20 30 CGEDHN C=CCC[C@H](CCC)NCc1nnc(CC)s1 ZINC000290095431 264751347 /nfs/dbraw/zinc/75/13/47/264751347.db2.gz HQIBXMKLMVYNCL-NSHDSACASA-N 0 3 253.415 3.325 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000320683772 265016920 /nfs/dbraw/zinc/01/69/20/265016920.db2.gz VGVJQSARGSZWJR-TZMCWYRMSA-N 0 3 289.375 3.419 20 30 CGEDHN CC1=C[C@H](C)C[C@@H](CN2CCC(F)(C#N)CC2)C1 ZINC000356305226 266092787 /nfs/dbraw/zinc/09/27/87/266092787.db2.gz PXJDONVFLOZKSV-GXTWGEPZSA-N 0 3 250.361 3.306 20 30 CGEDHN C=CCCN(C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356381612 266105590 /nfs/dbraw/zinc/10/55/90/266105590.db2.gz ACABWXKAMDKNGH-UHFFFAOYSA-N 0 3 259.271 3.419 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](CC)c1ccc(C)cc1 ZINC000356948254 266217289 /nfs/dbraw/zinc/21/72/89/266217289.db2.gz MYLHKVNHLGSDJS-QGZVFWFLSA-N 0 3 288.435 3.460 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1cccc(OC)c1 ZINC000358263824 266445514 /nfs/dbraw/zinc/44/55/14/266445514.db2.gz HLXASWWWNOTIQV-MRXNPFEDSA-N 0 3 263.381 3.329 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)o1 ZINC000527749517 270134111 /nfs/dbraw/zinc/13/41/11/270134111.db2.gz MJSPGLBQSSETCC-OWCLPIDISA-N 0 3 284.746 3.233 20 30 CGEDHN CCC[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)OCC ZINC000527934572 267032277 /nfs/dbraw/zinc/03/22/77/267032277.db2.gz SQJUIJXGCBLJJK-DOTOQJQBSA-N 0 3 272.392 3.340 20 30 CGEDHN CCCCC[C@@H]1CCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000362943354 267064795 /nfs/dbraw/zinc/06/47/95/267064795.db2.gz XYVMDZKLOIVHDU-HZPDHXFCSA-N 0 3 293.455 3.039 20 30 CGEDHN C=CCN1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368074010 267144933 /nfs/dbraw/zinc/14/49/33/267144933.db2.gz NBCQGBQVVROYFD-OAHLLOKOSA-N 0 3 294.439 3.141 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000368625704 267192110 /nfs/dbraw/zinc/19/21/10/267192110.db2.gz QRXCOJBVIBTWFQ-SJORKVTESA-N 0 3 285.435 3.321 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000119321693 267321602 /nfs/dbraw/zinc/32/16/02/267321602.db2.gz WQSMQWVFBRDUFN-GHMZBOCLSA-N 0 3 258.365 3.141 20 30 CGEDHN C=CCOc1ccccc1CN(C)CCCCOC ZINC000418138918 267361203 /nfs/dbraw/zinc/36/12/03/267361203.db2.gz UFLKBFSBXYCDCI-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C=CCC[C@H](N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccco1 ZINC000375898132 267921444 /nfs/dbraw/zinc/92/14/44/267921444.db2.gz PCHZQESRFOZSKF-TTZDDIAXSA-N 0 3 261.365 3.444 20 30 CGEDHN C[C@@H](Nc1cc(C#N)ccn1)[C@H](c1ccccc1)N(C)C ZINC000357682694 274264435 /nfs/dbraw/zinc/26/44/35/274264435.db2.gz GANHFVIPXPNWLD-CXAGYDPISA-N 0 3 280.375 3.057 20 30 CGEDHN C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)N1C ZINC000135265609 274362529 /nfs/dbraw/zinc/36/25/29/274362529.db2.gz ZGPSKFNETSVPEZ-PHIMTYICSA-N 0 3 297.324 3.106 20 30 CGEDHN Cn1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000352819989 274895395 /nfs/dbraw/zinc/89/53/95/274895395.db2.gz BROUPRHUYRNKMJ-UHFFFAOYSA-N 0 3 293.292 3.205 20 30 CGEDHN CC[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1 ZINC000278303584 276440411 /nfs/dbraw/zinc/44/04/11/276440411.db2.gz SFOLQSSQCMPZOI-CEXWTWQISA-N 0 3 292.382 3.257 20 30 CGEDHN COc1cc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353596016 277388793 /nfs/dbraw/zinc/38/87/93/277388793.db2.gz LXFCCKHJADRBSD-YVEFUNNKSA-N 0 3 293.370 3.300 20 30 CGEDHN CC(C#N)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000334528179 278182070 /nfs/dbraw/zinc/18/20/70/278182070.db2.gz LQRTXIDHDHDXTF-NSHDSACASA-N 0 3 294.757 3.287 20 30 CGEDHN C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)N1C ZINC000338789440 278801275 /nfs/dbraw/zinc/80/12/75/278801275.db2.gz WLVRNLJXYVDYQY-GHMZBOCLSA-N 0 3 297.324 3.106 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000336328207 279509456 /nfs/dbraw/zinc/50/94/56/279509456.db2.gz SXLPERASBPAMKZ-MEDUHNTESA-N 0 3 266.348 3.010 20 30 CGEDHN Cc1cc(C#N)cc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)n1 ZINC000357690079 280314951 /nfs/dbraw/zinc/31/49/51/280314951.db2.gz YSNZQWBWHIGJPU-KSSFIOAISA-N 0 3 294.402 3.365 20 30 CGEDHN C[C@H]1C[C@H](C)N1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000547769554 288975345 /nfs/dbraw/zinc/97/53/45/288975345.db2.gz NKABVMPLCSFQJB-QWRGUYRKSA-N 0 3 291.782 3.023 20 30 CGEDHN CCCCO[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554366084 289275989 /nfs/dbraw/zinc/27/59/89/289275989.db2.gz XFEQHMSSXFRQAN-CVEARBPZSA-N 0 3 287.407 3.027 20 30 CGEDHN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(C#N)cc1 ZINC000280210426 290050731 /nfs/dbraw/zinc/05/07/31/290050731.db2.gz UCPFDPAUNWVDOG-LRDDRELGSA-N 0 3 280.375 3.020 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(C)c(Br)c1 ZINC000121689399 327922102 /nfs/dbraw/zinc/92/21/02/327922102.db2.gz GJUFHOUCRWPFFB-SNVBAGLBSA-N 0 3 254.171 3.422 20 30 CGEDHN C=CCSCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563414867 328063130 /nfs/dbraw/zinc/06/31/30/328063130.db2.gz AOCQAZVXZWECNE-ZDUSSCGKSA-N 0 3 278.377 3.091 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1 ZINC000161103305 328131745 /nfs/dbraw/zinc/13/17/45/328131745.db2.gz GTOHMWGSXDQBJV-NWDGAFQWSA-N 0 3 280.799 3.469 20 30 CGEDHN C=CCN(Cc1ccc(C)nn1)CC1CCCCC1 ZINC000414385707 328159630 /nfs/dbraw/zinc/15/96/30/328159630.db2.gz FXEVPXCDRGGCBT-UHFFFAOYSA-N 0 3 259.397 3.353 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cccc3c2OCCCO3)C1 ZINC000274170500 328208792 /nfs/dbraw/zinc/20/87/92/328208792.db2.gz BLLYEUWFVPNBST-ZFWWWQNUSA-N 0 3 286.375 3.020 20 30 CGEDHN CC(C)(C)[C@H](NCCOCCC#N)c1ccc(F)cc1 ZINC000292805723 328273723 /nfs/dbraw/zinc/27/37/23/328273723.db2.gz MSESQDRDRAIYTB-OAHLLOKOSA-N 0 3 278.371 3.433 20 30 CGEDHN CC(C)(C)[C@@H](NCCOCCC#N)c1ccc(F)cc1 ZINC000292805717 328273752 /nfs/dbraw/zinc/27/37/52/328273752.db2.gz MSESQDRDRAIYTB-HNNXBMFYSA-N 0 3 278.371 3.433 20 30 CGEDHN CCCN(C(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000567246706 322156031 /nfs/dbraw/zinc/15/60/31/322156031.db2.gz SGAPDHWKKUAUKF-KRWDZBQOSA-N 0 3 299.418 3.174 20 30 CGEDHN C[C@@H](CCNCc1cnc2c(C#N)cnn2c1)CC(C)(C)C ZINC000567888734 322181447 /nfs/dbraw/zinc/18/14/47/322181447.db2.gz PTVMMUCSKNQUPJ-ZDUSSCGKSA-N 0 3 299.422 3.153 20 30 CGEDHN CC[C@@H](NCCOC(C)(C)C)c1ccc(C#N)cc1 ZINC000569072570 322233881 /nfs/dbraw/zinc/23/38/81/322233881.db2.gz YCOFUNGXVYYQPL-OAHLLOKOSA-N 0 3 260.381 3.414 20 30 CGEDHN Cc1ccccc1[C@H](CO)N[C@H]1CCc2ccc(C#N)cc21 ZINC000570889577 322284793 /nfs/dbraw/zinc/28/47/93/322284793.db2.gz QTNLMBAIUKRKCR-OALUTQOASA-N 0 3 292.382 3.177 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(Br)nc1 ZINC000289531977 328527150 /nfs/dbraw/zinc/52/71/50/328527150.db2.gz AFSRSBCWCIVBLL-LLVKDONJSA-N 0 3 299.212 3.087 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](CC)c1ccccc1F ZINC000320353631 326871534 /nfs/dbraw/zinc/87/15/34/326871534.db2.gz FZEZLFPNAMXNCL-SWLSCSKDSA-N 0 3 251.345 3.194 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1ccc(OC)cc1 ZINC000090883529 327101560 /nfs/dbraw/zinc/10/15/60/327101560.db2.gz HWDWNOJKCMSBEW-INIZCTEOSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCOCCN(C)Cc1ccc2cc(OC)ccc2c1 ZINC000559037519 327138849 /nfs/dbraw/zinc/13/88/49/327138849.db2.gz KUJRBMDBKMDBKU-UHFFFAOYSA-N 0 3 285.387 3.483 20 30 CGEDHN COc1ccc2c(c1)CCCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000559070805 327140073 /nfs/dbraw/zinc/14/00/73/327140073.db2.gz GCQFWECGYUOFPJ-BBRMVZONSA-N 0 3 270.376 3.136 20 30 CGEDHN C=CCCCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000569543790 327196107 /nfs/dbraw/zinc/19/61/07/327196107.db2.gz KNPRHENBILPWML-CYBMUJFWSA-N 0 3 279.346 3.368 20 30 CGEDHN CC(C)C[C@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000560259347 327294191 /nfs/dbraw/zinc/29/41/91/327294191.db2.gz GNOSALPBUGXWRY-HNNXBMFYSA-N 0 3 271.408 3.373 20 30 CGEDHN CCCCCCCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171442671 329076074 /nfs/dbraw/zinc/07/60/74/329076074.db2.gz BOYMRSLMOQSTRZ-MRXNPFEDSA-N 0 3 280.456 3.434 20 30 CGEDHN C=CCN(CCc1cccnc1)Cc1ccccc1 ZINC000172073573 329080934 /nfs/dbraw/zinc/08/09/34/329080934.db2.gz WDKIGSMZJSYMGC-UHFFFAOYSA-N 0 3 252.361 3.312 20 30 CGEDHN C=CCCCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000177820418 329187471 /nfs/dbraw/zinc/18/74/71/329187471.db2.gz RQNDULMWNBJZKF-UHFFFAOYSA-N 0 3 288.435 3.242 20 30 CGEDHN C=CCC[C@H](NCc1cn2c(cccc2C)n1)C1CC1 ZINC000178690429 329202205 /nfs/dbraw/zinc/20/22/05/329202205.db2.gz MKBOYPRPCRDCCN-INIZCTEOSA-N 0 3 269.392 3.477 20 30 CGEDHN C=CCSCCN[C@H]1CCc2ccc(F)cc21 ZINC000180458704 329217361 /nfs/dbraw/zinc/21/73/61/329217361.db2.gz PTZKSLKAHNBHFV-AWEZNQCLSA-N 0 3 251.370 3.322 20 30 CGEDHN N#CCSCCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185326094 329273058 /nfs/dbraw/zinc/27/30/58/329273058.db2.gz RJJWETPTWUGBSK-GFCCVEGCSA-N 0 3 296.386 3.401 20 30 CGEDHN CC(C)(C#N)CCCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186666454 329347137 /nfs/dbraw/zinc/34/71/37/329347137.db2.gz FSTKLHPQMYESRE-SFHVURJKSA-N 0 3 284.403 3.448 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(Cl)cc1Cl ZINC000321440878 329356922 /nfs/dbraw/zinc/35/69/22/329356922.db2.gz MPNDZOISSOZUMD-GFCCVEGCSA-N 0 3 274.191 3.410 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189404406 329381793 /nfs/dbraw/zinc/38/17/93/329381793.db2.gz CFBUFYBXJMODMQ-LBPRGKRZSA-N 0 3 293.716 3.385 20 30 CGEDHN Cc1cccc2c1OCC[C@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000193349576 329440754 /nfs/dbraw/zinc/44/07/54/329440754.db2.gz AKXFZHZDQULHOP-SQWLQELKSA-N 0 3 270.376 3.491 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)c(C)c1 ZINC000273001005 330090108 /nfs/dbraw/zinc/09/01/08/330090108.db2.gz XPRYVCRBCREVAC-AWEZNQCLSA-N 0 3 263.381 3.247 20 30 CGEDHN C=C(C)COCCN[C@H](c1ccc(OC)cc1F)C1CC1 ZINC000421846406 330095018 /nfs/dbraw/zinc/09/50/18/330095018.db2.gz SIGWJDBAOQHYHN-KRWDZBQOSA-N 0 3 293.382 3.468 20 30 CGEDHN C[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000433113511 330148686 /nfs/dbraw/zinc/14/86/86/330148686.db2.gz CRASHEOBIKMYHS-HOCLYGCPSA-N 0 3 270.376 3.160 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c(OC)c1 ZINC000527972439 330301652 /nfs/dbraw/zinc/30/16/52/330301652.db2.gz DDCCZMHHCUCIPA-IHRRRGAJSA-N 0 3 288.391 3.437 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OCC(F)F)cc2)C1 ZINC000424187172 330320879 /nfs/dbraw/zinc/32/08/79/330320879.db2.gz AIABMRBQYNUNKL-QWHCGFSZSA-N 0 3 280.318 3.112 20 30 CGEDHN C=CCn1cc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)nn1 ZINC000424297961 330336467 /nfs/dbraw/zinc/33/64/67/330336467.db2.gz RPZSGSCZYLKWLG-FVQBIDKESA-N 0 3 276.428 3.015 20 30 CGEDHN C=CCn1cc(CN[C@@H](CCC)CCc2ccccc2)nn1 ZINC000424299678 330336908 /nfs/dbraw/zinc/33/69/08/330336908.db2.gz VYDORCFEOHBPFR-KRWDZBQOSA-N 0 3 298.434 3.355 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCOc2ccc(C)cc21 ZINC000090883911 330396669 /nfs/dbraw/zinc/39/66/69/330396669.db2.gz TZPVFMXOUWVWIB-MRXNPFEDSA-N 0 3 275.392 3.391 20 30 CGEDHN COc1ccc2oc(CNCC3(CC#N)CC3)cc2c1 ZINC000430047338 330558155 /nfs/dbraw/zinc/55/81/55/330558155.db2.gz SBKCGQGNGMNMBL-UHFFFAOYSA-N 0 3 270.332 3.225 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNc1ccnc2ccccc21 ZINC000435603886 330658806 /nfs/dbraw/zinc/65/88/06/330658806.db2.gz MARPBKKGZLGPLY-GUYCJALGSA-N 0 3 268.360 3.050 20 30 CGEDHN CSCc1cc(F)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442778321 330782450 /nfs/dbraw/zinc/78/24/50/330782450.db2.gz BJMDLZKREJEILC-NHYWBVRUSA-N 0 3 278.396 3.471 20 30 CGEDHN CO[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000442888082 330790678 /nfs/dbraw/zinc/79/06/78/330790678.db2.gz DOTJCSZRJNUVPP-NILFDRSVSA-N 0 3 278.783 3.309 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc(F)c(Cl)c2)C1 ZINC000449401633 330922752 /nfs/dbraw/zinc/92/27/52/330922752.db2.gz NMYLTHPMBXMUTN-MNOVXSKESA-N 0 3 282.746 3.140 20 30 CGEDHN C=CC(C)(C)CNCc1ncc(CSC)s1 ZINC000449485530 330929915 /nfs/dbraw/zinc/92/99/15/330929915.db2.gz NNNFPUCJYZZNRA-UHFFFAOYSA-N 0 3 256.440 3.308 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCCO[C@H]2C=C)cc1 ZINC000449546477 330935205 /nfs/dbraw/zinc/93/52/05/330935205.db2.gz CFUNMKSBSBEBNC-SJORKVTESA-N 0 3 273.376 3.075 20 30 CGEDHN C=CCC[C@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000449694217 330944008 /nfs/dbraw/zinc/94/40/08/330944008.db2.gz AVAPUPULXBUFGA-CYBMUJFWSA-N 0 3 280.437 3.217 20 30 CGEDHN C=C(CC)CNCc1ccc2c(c1)OCCCCO2 ZINC000449733894 330946718 /nfs/dbraw/zinc/94/67/18/330946718.db2.gz KWTRLUASSNPANE-UHFFFAOYSA-N 0 3 261.365 3.294 20 30 CGEDHN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1CC1(C#N)CCC1 ZINC000450953806 331008594 /nfs/dbraw/zinc/00/85/94/331008594.db2.gz AFBUJMUBYODBJA-JYJNAYRXSA-N 0 3 276.424 3.086 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCCC1 ZINC000451200024 331020186 /nfs/dbraw/zinc/02/01/86/331020186.db2.gz GASIEXRDCQJHCE-INIZCTEOSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CCCN1CC2(CCCC2)N(CCC=C)C[C@H]1C ZINC000451346384 331025055 /nfs/dbraw/zinc/02/50/55/331025055.db2.gz UKDJGHRKGOKWII-MRXNPFEDSA-N 0 3 262.441 3.458 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)cc(C)c(C(C)=O)c1C ZINC000451599929 331035780 /nfs/dbraw/zinc/03/57/80/331035780.db2.gz PUCIKMMQVCUKSV-SJORKVTESA-N 0 3 287.403 3.248 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN[C@H]1COCC1(C)C ZINC000451811824 331043427 /nfs/dbraw/zinc/04/34/27/331043427.db2.gz RWURKSOXBVWLPA-HNNXBMFYSA-N 0 3 272.392 3.002 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452345259 331062999 /nfs/dbraw/zinc/06/29/99/331062999.db2.gz QITZQRUUQOQNCY-CVEARBPZSA-N 0 3 280.456 3.215 20 30 CGEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cn[nH]c1 ZINC000453224451 331103520 /nfs/dbraw/zinc/10/35/20/331103520.db2.gz AWTBJXXOIBLLSM-CZUORRHYSA-N 0 3 268.364 3.495 20 30 CGEDHN C=CC(C)(C)CN[C@H](c1ccccc1)c1cncnc1 ZINC000453306048 331113993 /nfs/dbraw/zinc/11/39/93/331113993.db2.gz ITLDLFWLSXIWGE-MRXNPFEDSA-N 0 3 267.376 3.368 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C)ccc1OC ZINC000453354256 331121401 /nfs/dbraw/zinc/12/14/01/331121401.db2.gz NFFINPIDWZYIFS-IMJJTQAJSA-N 0 3 275.392 3.388 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000453364845 331123143 /nfs/dbraw/zinc/12/31/43/331123143.db2.gz QJXKJOMKEIUDSS-CFVMTHIKSA-N 0 3 263.356 3.437 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453376499 331124998 /nfs/dbraw/zinc/12/49/98/331124998.db2.gz XIGSYDOELWCNQQ-HOCLYGCPSA-N 0 3 299.418 3.065 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1SC ZINC000453379399 331125628 /nfs/dbraw/zinc/12/56/28/331125628.db2.gz ZFZJPOXJLSRNSE-BNOWGMLFSA-N 0 3 263.406 3.403 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000457064246 331211213 /nfs/dbraw/zinc/21/12/13/331211213.db2.gz FVNCSZHKBFQNOR-OSMZGAPFSA-N 0 3 276.767 3.252 20 30 CGEDHN C=CCCCC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458266081 331246688 /nfs/dbraw/zinc/24/66/88/331246688.db2.gz DAQRAYHEMYDBOE-UHFFFAOYSA-N 0 3 260.381 3.351 20 30 CGEDHN CC#CCCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000462357271 331320314 /nfs/dbraw/zinc/32/03/14/331320314.db2.gz SNNHNAHQDXREKT-OAHLLOKOSA-N 0 3 263.768 3.207 20 30 CGEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCC#Cc2ccccc2)C1 ZINC000484070654 331891894 /nfs/dbraw/zinc/89/18/94/331891894.db2.gz RZLMSYKNSONZTD-APWZRJJASA-N 0 3 285.431 3.205 20 30 CGEDHN C=C[C@@H]1CCCCN1CCc1ccccc1C(=O)OC ZINC000489464939 332054303 /nfs/dbraw/zinc/05/43/03/332054303.db2.gz QWIGUIYUZFHIAN-OAHLLOKOSA-N 0 3 273.376 3.056 20 30 CGEDHN C=C[C@@H]1CCCCN1CCc1ccc2c(c1)CCO2 ZINC000489474970 332054795 /nfs/dbraw/zinc/05/47/95/332054795.db2.gz LKUROSNCZITAMC-MRXNPFEDSA-N 0 3 257.377 3.205 20 30 CGEDHN C#CCN(CC)Cc1ccc(OCc2ccncc2)cc1 ZINC000490865868 332121876 /nfs/dbraw/zinc/12/18/76/332121876.db2.gz JLSTZRLWMSEQEQ-UHFFFAOYSA-N 0 3 280.371 3.116 20 30 CGEDHN C=CCN(CCOc1ccccc1)CCc1ccco1 ZINC000491393381 332203162 /nfs/dbraw/zinc/20/31/62/332203162.db2.gz CZRMBHAUKQFLFT-UHFFFAOYSA-N 0 3 271.360 3.389 20 30 CGEDHN C#CCN[C@@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000491618459 332244975 /nfs/dbraw/zinc/24/49/75/332244975.db2.gz LISPGCHJWFPGIM-ZDUSSCGKSA-N 0 3 271.282 3.006 20 30 CGEDHN C#C[C@H](N[C@H](C)[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000491618979 332245372 /nfs/dbraw/zinc/24/53/72/332245372.db2.gz BLWLCBXPIXFSTH-ZLDLUXBVSA-N 0 3 263.768 3.029 20 30 CGEDHN C#C[C@@H](NC1CCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000491691810 332288549 /nfs/dbraw/zinc/28/85/49/332288549.db2.gz HJSKUQHLLLCFIC-QGZVFWFLSA-N 0 3 288.822 3.231 20 30 CGEDHN CC1(C#N)CCN(CCOC2CCCCCC2)CC1 ZINC000506057187 332760869 /nfs/dbraw/zinc/76/08/69/332760869.db2.gz VLIDNRZNZSBIMY-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN C=CCN1CCC(NC(=O)NCC(CC)(CC)CC)CC1 ZINC000177247817 333056135 /nfs/dbraw/zinc/05/61/35/333056135.db2.gz YRWGQWCZJDTPDF-UHFFFAOYSA-N 0 3 295.471 3.152 20 30 CGEDHN N#CCc1ccc(CN2CCC=C(c3ccccn3)C2)cc1 ZINC000516875851 333085200 /nfs/dbraw/zinc/08/52/00/333085200.db2.gz YDXBRAUGMFGVIZ-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN CCN(C[C@@H](C)C#N)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000186640237 333163973 /nfs/dbraw/zinc/16/39/73/333163973.db2.gz RGDOQFVUZFBWCJ-KGLIPLIRSA-N 0 3 292.398 3.494 20 30 CGEDHN C[C@H]1CSCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000190476722 333207234 /nfs/dbraw/zinc/20/72/34/333207234.db2.gz ARISWXUKNVIESX-CYBMUJFWSA-N 0 3 279.836 3.376 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191380857 333219106 /nfs/dbraw/zinc/21/91/06/333219106.db2.gz JFSOEYSYMKMPHH-CYBMUJFWSA-N 0 3 279.428 3.190 20 30 CGEDHN COc1ccc([C@H](C)[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000522034564 333231130 /nfs/dbraw/zinc/23/11/30/333231130.db2.gz FDICONMIULXAQX-CHWSQXEVSA-N 0 3 258.365 3.081 20 30 CGEDHN C#CCN(C)Cc1ccc(Br)c2cccnc12 ZINC000192239634 333233688 /nfs/dbraw/zinc/23/36/88/333233688.db2.gz ZIKYEBDXGHWENJ-UHFFFAOYSA-N 0 3 289.176 3.062 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000522984176 333303347 /nfs/dbraw/zinc/30/33/47/333303347.db2.gz HWYCZNJFRFFXPX-LBPRGKRZSA-N 0 3 290.794 3.428 20 30 CGEDHN C=C(C)COCCNCc1ccccc1C(F)(F)F ZINC000125805519 333574311 /nfs/dbraw/zinc/57/43/11/333574311.db2.gz POXRSCUIWBRMMG-UHFFFAOYSA-N 0 3 273.298 3.388 20 30 CGEDHN Cc1cc(CNC2CCC(C#N)(c3ccccc3)CC2)no1 ZINC000540570894 333735544 /nfs/dbraw/zinc/73/55/44/333735544.db2.gz FTBVTBYTHKXYID-UHFFFAOYSA-N 0 3 295.386 3.477 20 30 CGEDHN C=CCOCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000549860975 334207139 /nfs/dbraw/zinc/20/71/39/334207139.db2.gz UTQSXEPKUOALKK-CJNGLKHVSA-N 0 3 263.356 3.411 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1CCCC ZINC000549957741 334210305 /nfs/dbraw/zinc/21/03/05/334210305.db2.gz HGGAJVNNISNZQB-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551441849 334250525 /nfs/dbraw/zinc/25/05/25/334250525.db2.gz JFPXONARZMUCMD-UHFFFAOYSA-N 0 3 266.335 3.053 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000564809428 334521829 /nfs/dbraw/zinc/52/18/29/334521829.db2.gz GXZDFSORPORHLQ-UNEWFSDZSA-N 0 3 285.366 3.495 20 30 CGEDHN CCC[C@@H](C)[C@H](CO)NCC#Cc1ccccc1Cl ZINC000567992744 334782367 /nfs/dbraw/zinc/78/23/67/334782367.db2.gz XRYWCDAKDPVUNM-CJNGLKHVSA-N 0 3 279.811 3.078 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000576870060 335257954 /nfs/dbraw/zinc/25/79/54/335257954.db2.gz KMOMQQXLNBVVPL-FUHWJXTLSA-N 0 3 287.378 3.068 20 30 CGEDHN N#Cc1ccc(CNCCc2c(F)cccc2F)s1 ZINC000176950936 335342534 /nfs/dbraw/zinc/34/25/34/335342534.db2.gz BNWHDWIEWKDLAN-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN CCCC(O)(CCC)CNCc1cc(C#N)cs1 ZINC000177704363 335380231 /nfs/dbraw/zinc/38/02/31/335380231.db2.gz BEPPMLDKWSQBKY-UHFFFAOYSA-N 0 3 266.410 3.041 20 30 CGEDHN C=CCOc1ccc(CN[C@H](CO)C/C=C\C)cc1Cl ZINC000349847435 335485058 /nfs/dbraw/zinc/48/50/58/335485058.db2.gz GFBWOPWZQFUBNU-MFBWXBCUSA-N 0 3 295.810 3.322 20 30 CGEDHN C[C@@H](NCCN(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000180139328 335553871 /nfs/dbraw/zinc/55/38/71/335553871.db2.gz QPQIPILJYLBHGQ-OAHLLOKOSA-N 0 3 279.387 3.345 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cn(-c2ccccc2C)nn1 ZINC000579398989 335744457 /nfs/dbraw/zinc/74/44/57/335744457.db2.gz LQNZAZRNKMJBCF-OAHLLOKOSA-N 0 3 284.407 3.410 20 30 CGEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1c(C)noc1C ZINC000182433827 335819463 /nfs/dbraw/zinc/81/94/63/335819463.db2.gz DDQVPWFREXKXLY-MRXNPFEDSA-N 0 3 299.374 3.283 20 30 CGEDHN C=CCCCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000581141183 336014925 /nfs/dbraw/zinc/01/49/25/336014925.db2.gz UQXHHMJXTQOKKC-UHFFFAOYSA-N 0 3 293.455 3.003 20 30 CGEDHN C=CC[C@@H](C(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000361775363 500579420 /nfs/dbraw/zinc/57/94/20/500579420.db2.gz FUSAFYBNVWUNQI-ZWKOTPCHSA-N 0 3 298.430 3.041 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(SC(F)F)cc1 ZINC000184284405 519118929 /nfs/dbraw/zinc/11/89/29/519118929.db2.gz GWGQCGDXWCACMQ-LLVKDONJSA-N 0 3 273.348 3.028 20 30 CGEDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C#N)cc1 ZINC000337878646 523015116 /nfs/dbraw/zinc/01/51/16/523015116.db2.gz WLORNODQNHQUAD-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN COc1ccc(CN[C@H](C)c2cccs2)cc1C#N ZINC000087822643 524090194 /nfs/dbraw/zinc/09/01/94/524090194.db2.gz BJPYKIPMZFOQRY-LLVKDONJSA-N 0 3 272.373 3.479 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184585919 524144181 /nfs/dbraw/zinc/14/41/81/524144181.db2.gz VVCOLGVZPOGJTB-DOMZBBRYSA-N 0 3 296.374 3.277 20 30 CGEDHN C=CCN(CCOc1ccccc1C#N)CCc1ccco1 ZINC000352719539 526307064 /nfs/dbraw/zinc/30/70/64/526307064.db2.gz HRQQXSDIDSEHMW-UHFFFAOYSA-N 0 3 296.370 3.261 20 30 CGEDHN C=C(CN[C@H](C)CC(=O)OC(C)(C)C)c1ccccc1 ZINC000353842255 526883860 /nfs/dbraw/zinc/88/38/60/526883860.db2.gz JZWQYCUADBEWKZ-CQSZACIVSA-N 0 3 275.392 3.410 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](CC)c2cnn(C)c2)cc1 ZINC000353861083 526887800 /nfs/dbraw/zinc/88/78/00/526887800.db2.gz ZNJIEEZMLSCRRR-KRWDZBQOSA-N 0 3 285.391 3.226 20 30 CGEDHN C=CCCC1(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000344721104 527084427 /nfs/dbraw/zinc/08/44/27/527084427.db2.gz HOFIAVVGFWALMC-HNNXBMFYSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418093868 527221082 /nfs/dbraw/zinc/22/10/82/527221082.db2.gz CTNVPQQQBRQFOY-KRWDZBQOSA-N 0 3 297.402 3.105 20 30 CGEDHN C=CCCN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347333611 527326585 /nfs/dbraw/zinc/32/65/85/527326585.db2.gz HXABHFSZONOIGD-KGLIPLIRSA-N 0 3 263.406 3.063 20 30 CGEDHN C=CCCOCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344866340 527366803 /nfs/dbraw/zinc/36/68/03/527366803.db2.gz OEWAYOBAPAACAM-KAMYIIQDSA-N 0 3 290.363 3.180 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000353571626 527444743 /nfs/dbraw/zinc/44/47/43/527444743.db2.gz WAGJROXPSPBSTO-WBMJQRKESA-N 0 3 271.360 3.046 20 30 CGEDHN C=CCC[C@H](NC[C@](C)(O)C(C)C)c1ccco1 ZINC000353519614 527485683 /nfs/dbraw/zinc/48/56/83/527485683.db2.gz MYZFFTYTENQWBW-ZFWWWQNUSA-N 0 3 251.370 3.284 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@H](C)c1ccccc1OC ZINC000347045188 527778001 /nfs/dbraw/zinc/77/80/01/527778001.db2.gz ZOVYZJRPCIITEL-CHWSQXEVSA-N 0 3 274.364 3.154 20 30 CGEDHN CC(C)OCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358574462 527948606 /nfs/dbraw/zinc/94/86/06/527948606.db2.gz RZLZKAPYZOFTSB-LBPRGKRZSA-N 0 3 264.344 3.163 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)C3CC3)nc21 ZINC000749038416 571693588 /nfs/dbraw/zinc/69/35/88/571693588.db2.gz QVRTYWLTKVJKRN-PWSUYJOCSA-N 0 3 267.332 3.094 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)C3CC3)[nH]c21 ZINC000749038416 571693590 /nfs/dbraw/zinc/69/35/90/571693590.db2.gz QVRTYWLTKVJKRN-PWSUYJOCSA-N 0 3 267.332 3.094 20 30 CGEDHN CCCCCCN1CCN(c2ccccc2C#N)CC1 ZINC000740875937 571890671 /nfs/dbraw/zinc/89/06/71/571890671.db2.gz IHWWRKXYMZQMRA-UHFFFAOYSA-N 0 3 271.408 3.261 20 30 CGEDHN CCCCCCCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000731019040 572390253 /nfs/dbraw/zinc/39/02/53/572390253.db2.gz CREAQRORPSHWSQ-MRXNPFEDSA-N 0 3 280.456 3.338 20 30 CGEDHN Cc1cnn(CCCCCN(CCC#N)CC(C)C)c1 ZINC000739913816 572426995 /nfs/dbraw/zinc/42/69/95/572426995.db2.gz BEQICDCMHFIEGL-UHFFFAOYSA-N 0 3 276.428 3.234 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000740473347 572442214 /nfs/dbraw/zinc/44/22/14/572442214.db2.gz KGIXVENFWUCGGJ-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN C=C(C[NH2+]Cc1cccc(OC)c1[O-])c1ccccc1 ZINC000725849302 572442374 /nfs/dbraw/zinc/44/23/74/572442374.db2.gz KJNHBAWHYXTOOA-UHFFFAOYSA-N 0 3 269.344 3.204 20 30 CGEDHN CCCCCCCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000732159497 572450666 /nfs/dbraw/zinc/45/06/66/572450666.db2.gz HJSXTVMPAZWYRE-INIZCTEOSA-N 0 3 280.456 3.290 20 30 CGEDHN C=CCCOC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000741329043 572493614 /nfs/dbraw/zinc/49/36/14/572493614.db2.gz SULMWNHMYKGQIH-INIZCTEOSA-N 0 3 273.376 3.018 20 30 CGEDHN COc1ccc(CN[C@@H](C)COc2ccccc2)cc1C#N ZINC000742369479 572568107 /nfs/dbraw/zinc/56/81/07/572568107.db2.gz YBFLYICIROQWHM-AWEZNQCLSA-N 0 3 296.370 3.124 20 30 CGEDHN CCC(CC)NN=Cc1ccc(N(C)CCC#N)cc1 ZINC000734364888 572649242 /nfs/dbraw/zinc/64/92/42/572649242.db2.gz JRWZAEARJYOFCW-UHFFFAOYSA-N 0 3 272.396 3.149 20 30 CGEDHN N#CC(C(=O)C=CC1CC1)c1ccc2ccccc2n1 ZINC000744015252 572697331 /nfs/dbraw/zinc/69/73/31/572697331.db2.gz KUQCJRVULHZDJH-RNVIBTMRSA-N 0 3 262.312 3.377 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccco2)c1 ZINC000744027840 572697768 /nfs/dbraw/zinc/69/77/68/572697768.db2.gz BEQWDZBOKQZQIB-TZMCWYRMSA-N 0 3 296.326 3.039 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1cccc1 ZINC000735207461 572708393 /nfs/dbraw/zinc/70/83/93/572708393.db2.gz RJEMNPJZFYRQBU-OLZOCXBDSA-N 0 3 293.326 3.457 20 30 CGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000735208235 572708785 /nfs/dbraw/zinc/70/87/85/572708785.db2.gz KWSKYFFDYABLMB-VKJYCEFSSA-N 0 3 290.750 3.344 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744443222 572753987 /nfs/dbraw/zinc/75/39/87/572753987.db2.gz IJQDBRFQDXDFIQ-RHSMWYFYSA-N 0 3 294.402 3.500 20 30 CGEDHN CC(C#N)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000736673763 572804562 /nfs/dbraw/zinc/80/45/62/572804562.db2.gz YJQATQYYLDOIQH-UPJWGTAASA-N 0 3 250.386 3.115 20 30 CGEDHN C#CCN(CC)CCc1cccc(OC(F)(F)F)c1 ZINC000747619858 572936969 /nfs/dbraw/zinc/93/69/69/572936969.db2.gz NOCHLTMZYSRBAL-UHFFFAOYSA-N 0 3 271.282 3.083 20 30 CGEDHN C#CCN(Cc1ccc(-n2ccnc2)nc1)C1CCCCC1 ZINC000750041382 573077034 /nfs/dbraw/zinc/07/70/34/573077034.db2.gz NCDSTYSHXPACPX-UHFFFAOYSA-N 0 3 294.402 3.035 20 30 CGEDHN CCCCCCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000821056699 606695530 /nfs/dbraw/zinc/69/55/30/606695530.db2.gz WMRAPDPSFDQHDV-UHFFFAOYSA-N 0 3 287.411 3.317 20 30 CGEDHN CCCCCCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000821056699 606695531 /nfs/dbraw/zinc/69/55/31/606695531.db2.gz WMRAPDPSFDQHDV-UHFFFAOYSA-N 0 3 287.411 3.317 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823894230 609249512 /nfs/dbraw/zinc/24/95/12/609249512.db2.gz LCYZXVDVOOUQRB-OAHLLOKOSA-N 0 3 297.406 3.190 20 30 CGEDHN C=CCC[C@@H](CC)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823894230 609249513 /nfs/dbraw/zinc/24/95/13/609249513.db2.gz LCYZXVDVOOUQRB-OAHLLOKOSA-N 0 3 297.406 3.190 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974720293 613337885 /nfs/dbraw/zinc/33/78/85/613337885.db2.gz MLWRCQKSUIGJBK-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973021682 613341265 /nfs/dbraw/zinc/34/12/65/613341265.db2.gz DOFACFLXORZHIS-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000974565613 613555494 /nfs/dbraw/zinc/55/54/94/613555494.db2.gz IYDIODCWBHPAQI-AWEZNQCLSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(CCC)s2)C1 ZINC000971613557 613620563 /nfs/dbraw/zinc/62/05/63/613620563.db2.gz OJCJGCJABDNOFT-CYBMUJFWSA-N 0 3 292.448 3.033 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000980274689 613626463 /nfs/dbraw/zinc/62/64/63/613626463.db2.gz JRMODJAHDQFSJG-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC000969014356 613685446 /nfs/dbraw/zinc/68/54/46/613685446.db2.gz YRZJCANTZBAELF-KRWDZBQOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC000968913450 613686396 /nfs/dbraw/zinc/68/63/96/613686396.db2.gz GMXGJAOIKXXJDV-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940960362 613745916 /nfs/dbraw/zinc/74/59/16/613745916.db2.gz FIEOLNRJXRBVKH-LSDHHAIUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C[C@@H]1C ZINC000948072640 613756301 /nfs/dbraw/zinc/75/63/01/613756301.db2.gz AOUKIJRANMPEJF-UONOGXRCSA-N 0 3 290.407 3.172 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccoc2CCC)C[C@H]1C ZINC000947925576 613756478 /nfs/dbraw/zinc/75/64/78/613756478.db2.gz QIQFTLDCMYDTFW-ZIAGYGMSSA-N 0 3 290.407 3.001 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000940974376 613780615 /nfs/dbraw/zinc/78/06/15/613780615.db2.gz AXSYBOJGFXWUNG-HNNXBMFYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2csc(Cl)c2)C[C@H]1C ZINC000947776821 613799405 /nfs/dbraw/zinc/79/94/05/613799405.db2.gz YNEAVMGSYFYAGK-PWSUYJOCSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CCCCC1 ZINC000960239156 613871075 /nfs/dbraw/zinc/87/10/75/613871075.db2.gz KTSQYVVJADMUDF-QZTJIDSGSA-N 0 3 298.430 3.125 20 30 CGEDHN C=CCN(CC=C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000899915996 620736983 /nfs/dbraw/zinc/73/69/83/620736983.db2.gz MXICAEZVQDJFDR-UHFFFAOYSA-N 0 3 283.375 3.105 20 30 CGEDHN C=CC[C@@H]1CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000890562613 617646214 /nfs/dbraw/zinc/64/62/14/617646214.db2.gz CESOFISUPKDOBE-QGZVFWFLSA-N 0 3 284.403 3.073 20 30 CGEDHN Cc1cc(C#N)nc(NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000891493261 618231897 /nfs/dbraw/zinc/23/18/97/618231897.db2.gz NKEQLXSPYJIXMQ-OAHLLOKOSA-N 0 3 296.374 3.104 20 30 CGEDHN CC(C)(C)[C@H](N)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900611831 620803002 /nfs/dbraw/zinc/80/30/02/620803002.db2.gz ITMUVYFMRMENMM-CQSZACIVSA-N 0 3 289.427 3.188 20 30 CGEDHN C=C(Br)CN[C@H]1CCc2ccccc2C1 ZINC000051631730 618616380 /nfs/dbraw/zinc/61/63/80/618616380.db2.gz QOONOHIKECLJPB-ZDUSSCGKSA-N 0 3 266.182 3.042 20 30 CGEDHN C#CCCCNCc1c(F)cccc1Br ZINC000308902282 618705815 /nfs/dbraw/zinc/70/58/15/618705815.db2.gz HZVHFCMXYJJHAL-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN C#CCN1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000052464492 618718584 /nfs/dbraw/zinc/71/85/84/618718584.db2.gz PKJVBWXBWIJBEW-UHFFFAOYSA-N 0 3 252.361 3.289 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1nn(CC)nc1C ZINC000926591659 618755911 /nfs/dbraw/zinc/75/59/11/618755911.db2.gz MZBPWSHTBFWQMM-WMLDXEAASA-N 0 3 298.434 3.444 20 30 CGEDHN CC[C@@H](C[C@@](C)(O)CC)NCC1(C#N)CCCCC1 ZINC000926712845 618834424 /nfs/dbraw/zinc/83/44/24/618834424.db2.gz NTEUADYJTJOGFC-GJZGRUSLSA-N 0 3 266.429 3.380 20 30 CGEDHN COc1ccc(OC)c(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000924597482 618920589 /nfs/dbraw/zinc/92/05/89/618920589.db2.gz LYSOYDIOIIFYSF-LBPRGKRZSA-N 0 3 276.380 3.122 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@H](c1ccccn1)C1CC1 ZINC000926895055 618984817 /nfs/dbraw/zinc/98/48/17/618984817.db2.gz SXJCPTRNVSRJQX-WFASDCNBSA-N 0 3 257.381 3.451 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C)c1nn(CC)nc1C ZINC000925711452 619157494 /nfs/dbraw/zinc/15/74/94/619157494.db2.gz ZESRQQVEROVUSB-NWDGAFQWSA-N 0 3 250.390 3.002 20 30 CGEDHN COCCN(Cc1csc(C#N)c1)[C@H]1CC[C@H](C)C1 ZINC000894002047 619349412 /nfs/dbraw/zinc/34/94/12/619349412.db2.gz UPBPBHMCNAXLJH-JSGCOSHPSA-N 0 3 278.421 3.257 20 30 CGEDHN C=C(Br)CN[C@@H](C)Cc1ccsc1 ZINC000049182054 619707667 /nfs/dbraw/zinc/70/76/67/619707667.db2.gz GZHQHMWVXWJNCD-VIFPVBQESA-N 0 3 260.200 3.177 20 30 CGEDHN COc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237236001 619740053 /nfs/dbraw/zinc/74/00/53/619740053.db2.gz TYYKNKXRJVOTDW-AWEZNQCLSA-N 0 3 296.370 3.276 20 30 CGEDHN C[C@]1(Br)C[C@H]1CNCC1(C#N)CCCCC1 ZINC000895404101 619823461 /nfs/dbraw/zinc/82/34/61/619823461.db2.gz PVKRVJFZFXECMG-RYUDHWBXSA-N 0 3 285.229 3.224 20 30 CGEDHN C#CCN(C(=O)c1cccc(CN2CCCCC2)c1)C(C)C ZINC000928623173 620040398 /nfs/dbraw/zinc/04/03/98/620040398.db2.gz IHOYAOVSBCQGQC-UHFFFAOYSA-N 0 3 298.430 3.156 20 30 CGEDHN CCC[C@H](C/[NH+]=C\c1ccc(N(CC)CC)cc1[O-])OC ZINC000840705794 620076653 /nfs/dbraw/zinc/07/66/53/620076653.db2.gz FSRICZFWQDGHGA-UWCCDQBKSA-N 0 3 292.423 3.472 20 30 CGEDHN CCC[C@H](C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])OC ZINC000840705795 620076726 /nfs/dbraw/zinc/07/67/26/620076726.db2.gz FSRICZFWQDGHGA-YAJBTMAUSA-N 0 3 292.423 3.472 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@H]1CCCC2(CCC2)O1 ZINC000896918913 620101301 /nfs/dbraw/zinc/10/13/01/620101301.db2.gz SBWHKMALLGOKRP-QGZVFWFLSA-N 0 3 269.388 3.120 20 30 CGEDHN C#CCC1(NCc2c(Cl)c(C)nn2C)CCCCC1 ZINC000897337321 620211523 /nfs/dbraw/zinc/21/15/23/620211523.db2.gz YZJFHYDTLNHIEI-UHFFFAOYSA-N 0 3 279.815 3.198 20 30 CGEDHN Cc1ccc(CN(C)Cc2cc(C#N)cs2)c(O)c1 ZINC000897624315 620411652 /nfs/dbraw/zinc/41/16/52/620411652.db2.gz HYGNYHSTUHQMJU-UHFFFAOYSA-N 0 3 272.373 3.266 20 30 CGEDHN N#Cc1csc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000898324909 620506696 /nfs/dbraw/zinc/50/66/96/620506696.db2.gz LYQAKJNNUQHXCH-OAHLLOKOSA-N 0 3 269.373 3.256 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(N2CCCC2=O)c1 ZINC000924665832 620558400 /nfs/dbraw/zinc/55/84/00/620558400.db2.gz VMLGRARGOVJNFC-AWEZNQCLSA-N 0 3 299.418 3.231 20 30 CGEDHN C[C@H]1CC(NN=C2CCCNc3ccccc32)C[C@H](C)O1 ZINC000901308553 620852575 /nfs/dbraw/zinc/85/25/75/620852575.db2.gz UTYCSTFMBZWLGM-STQMWFEESA-N 0 3 287.407 3.142 20 30 CGEDHN Cc1cccc(OC[C@@H](C)N[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902760669 621430275 /nfs/dbraw/zinc/43/02/75/621430275.db2.gz JSQMIPISEJPFGS-HUUCEWRRSA-N 0 3 295.386 3.380 20 30 CGEDHN C=C(Br)CN[C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902792870 621449350 /nfs/dbraw/zinc/44/93/50/621449350.db2.gz DUHRZWTVOPQJFI-YPMHNXCESA-N 0 3 296.208 3.124 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCn2ccnc21)[C@]1(C)CCCCO1 ZINC000903002394 621526956 /nfs/dbraw/zinc/52/69/56/621526956.db2.gz BAFHEOUPMMGFBW-ZOBUZTSGSA-N 0 3 289.423 3.212 20 30 CGEDHN C[C@H](NC[C@@H]1CCCC1(F)F)c1cc(C#N)ccn1 ZINC000903008231 621532197 /nfs/dbraw/zinc/53/21/97/621532197.db2.gz MIRYJBAABQYGQN-JQWIXIFHSA-N 0 3 265.307 3.039 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903012151 621534231 /nfs/dbraw/zinc/53/42/31/621534231.db2.gz NVIWRVJWKOWNLX-CMPLNLGQSA-N 0 3 288.313 3.078 20 30 CGEDHN Cc1ccc([C@H](C)NCC2(C#N)CCC2)c(O)c1C ZINC000903032625 621536349 /nfs/dbraw/zinc/53/63/49/621536349.db2.gz KZNBSFAEZKTVEY-ZDUSSCGKSA-N 0 3 258.365 3.354 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)C1CCCCC1 ZINC000903055558 621545028 /nfs/dbraw/zinc/54/50/28/621545028.db2.gz AKYZXJFSFZHDBS-GUYCJALGSA-N 0 3 287.407 3.199 20 30 CGEDHN C[C@@H](NC1([C@@H]2CCCCO2)CCC1)c1cc(C#N)ccn1 ZINC000903081684 621561675 /nfs/dbraw/zinc/56/16/75/621561675.db2.gz XACKFNNTMMZFSG-CJNGLKHVSA-N 0 3 285.391 3.096 20 30 CGEDHN CC[C@H](N[C@H](C)c1ccnn1C)c1cccc(C#N)c1 ZINC000903080990 621562277 /nfs/dbraw/zinc/56/22/77/621562277.db2.gz SJRDLXWCNFEQMM-DOMZBBRYSA-N 0 3 268.364 3.094 20 30 CGEDHN C[C@@H](NCC(C)(C)C#N)c1cc2c(cc1O)CCCC2 ZINC000903100578 621572721 /nfs/dbraw/zinc/57/27/21/621572721.db2.gz UIPDALAVRTYZOA-GFCCVEGCSA-N 0 3 272.392 3.471 20 30 CGEDHN N#CC1(CN[C@@H](C2CCC2)[C@H]2CCCO2)CCCC1 ZINC000903109875 621583804 /nfs/dbraw/zinc/58/38/04/621583804.db2.gz WVFNCSSIHOOHGY-CABCVRRESA-N 0 3 262.397 3.008 20 30 CGEDHN CC[C@@H](NCc1cc(N(C)C)ccn1)c1ccc(C#N)cc1 ZINC000903198400 621623314 /nfs/dbraw/zinc/62/33/14/621623314.db2.gz KQDGGAOOXZKJSY-GOSISDBHSA-N 0 3 294.402 3.260 20 30 CGEDHN COc1cc([C@@H](C)NCC(C)(C)CC#N)cc([N+](=O)[O-])c1 ZINC000903186128 621627155 /nfs/dbraw/zinc/62/71/55/621627155.db2.gz NQWWOHGCAIOWSU-LLVKDONJSA-N 0 3 291.351 3.194 20 30 CGEDHN C=CCCC[C@@H](COc1ccccc1)NCc1cn(C)cn1 ZINC000903350634 621708568 /nfs/dbraw/zinc/70/85/68/621708568.db2.gz DCMBTYVRYAGBMK-INIZCTEOSA-N 0 3 299.418 3.314 20 30 CGEDHN C[C@H](N[C@H]1CCOC12CCCC2)c1ccc(C#N)cc1F ZINC000903381688 621723639 /nfs/dbraw/zinc/72/36/39/621723639.db2.gz BRRXGSXXEAODFD-LRDDRELGSA-N 0 3 288.366 3.450 20 30 CGEDHN CC(C)Cc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905082811 622033037 /nfs/dbraw/zinc/03/30/37/622033037.db2.gz XFRUIKPHQJVDFB-CDCQXCROSA-N 0 3 281.359 3.318 20 30 CGEDHN CC1/C(=C\c2cccc(CC3CCC3)c2)C(=O)c2ncnn21 ZINC000905087087 622033896 /nfs/dbraw/zinc/03/38/96/622033896.db2.gz VMHWYEYMCVYCAW-SEJMYLSOSA-N 0 3 293.370 3.462 20 30 CGEDHN CCc1cccc(Cl)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905085813 622033912 /nfs/dbraw/zinc/03/39/12/622033912.db2.gz PIDRHVZOQYUOPU-FKVCUQLRSA-N 0 3 287.750 3.335 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNc1cc(CN(C)C)ccn1 ZINC000905406261 622067809 /nfs/dbraw/zinc/06/78/09/622067809.db2.gz KTACWTFGABGSJQ-UHFFFAOYSA-N 0 3 294.402 3.244 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000912067572 622591590 /nfs/dbraw/zinc/59/15/90/622591590.db2.gz HMPWORKTBJVANE-IRXDYDNUSA-N 0 3 286.419 3.206 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000912257670 622620807 /nfs/dbraw/zinc/62/08/07/622620807.db2.gz AJMLHEBIBGCUOG-OAHLLOKOSA-N 0 3 276.380 3.096 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)c1cccc(C)c1C ZINC000912497604 622669544 /nfs/dbraw/zinc/66/95/44/622669544.db2.gz DRLJIKLORNDYFP-HNNXBMFYSA-N 0 3 274.408 3.340 20 30 CGEDHN C#C[C@H](C)NCc1ccc(Cl)c(Br)c1 ZINC000166489309 622888711 /nfs/dbraw/zinc/88/87/11/622888711.db2.gz NKLHFSFGAPAKAC-QMMMGPOBSA-N 0 3 272.573 3.214 20 30 CGEDHN C#CCSCCNCc1ccccc1OC(F)(F)F ZINC000152958469 623737793 /nfs/dbraw/zinc/73/77/93/623737793.db2.gz TUPRXCUMUVHQNL-UHFFFAOYSA-N 0 3 289.322 3.041 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(C)(F)F ZINC000916844972 624217410 /nfs/dbraw/zinc/21/74/10/624217410.db2.gz LWVMVCJBZBKNQE-JTQLQIEISA-N 0 3 291.301 3.185 20 30 CGEDHN CCCCCCCCCC(=O)N[C@H]1CCCN(C)C1 ZINC000918395283 624346047 /nfs/dbraw/zinc/34/60/47/624346047.db2.gz NAQLHUQIMAVJMC-HNNXBMFYSA-N 0 3 268.445 3.338 20 30 CGEDHN C#Cc1cccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000920276711 624464983 /nfs/dbraw/zinc/46/49/83/624464983.db2.gz KYJSKIBWDRVRQV-QGZVFWFLSA-N 0 3 284.403 3.117 20 30 CGEDHN CC[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000921474070 624599509 /nfs/dbraw/zinc/59/95/09/624599509.db2.gz LWBHWYXMCRARED-SECBINFHSA-N 0 3 267.170 3.209 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC1CCC1 ZINC000175084336 624612395 /nfs/dbraw/zinc/61/23/95/624612395.db2.gz FRSXCPMXFZBOGM-ZDUSSCGKSA-N 0 3 281.359 3.330 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180096986 624714921 /nfs/dbraw/zinc/71/49/21/624714921.db2.gz XACFLWTXIVXTHF-ZDUSSCGKSA-N 0 3 261.365 3.014 20 30 CGEDHN C#CCSCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000181099467 624808684 /nfs/dbraw/zinc/80/86/84/624808684.db2.gz URZLRIGTVKGPPM-SECBINFHSA-N 0 3 273.323 3.121 20 30 CGEDHN C#CCSCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000181099448 624808763 /nfs/dbraw/zinc/80/87/63/624808763.db2.gz URZLRIGTVKGPPM-VIFPVBQESA-N 0 3 273.323 3.121 20 30 CGEDHN C=C(Br)CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186311996 625785427 /nfs/dbraw/zinc/78/54/27/625785427.db2.gz RQEFBTLLCNXPJH-NWDGAFQWSA-N 0 3 276.218 3.078 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2CCCCCC2)C1 ZINC000998536316 625814443 /nfs/dbraw/zinc/81/44/43/625814443.db2.gz RGGNZBMAGPICSU-UHFFFAOYSA-N 0 3 298.858 3.288 20 30 CGEDHN C=CCN1CC=C(CNC(=O)c2ccccc2C(C)C)CC1 ZINC001000757469 625880996 /nfs/dbraw/zinc/88/09/96/625880996.db2.gz ORMGPZGMYNOUDN-UHFFFAOYSA-N 0 3 298.430 3.358 20 30 CGEDHN N#Cc1cc(CN[C@@H]2CCCc3[nH]ccc32)cs1 ZINC000921817552 625889182 /nfs/dbraw/zinc/88/91/82/625889182.db2.gz YGKMWQWXZKDVRO-CQSZACIVSA-N 0 3 257.362 3.115 20 30 CGEDHN CC[C@H](CC(F)(F)F)NCc1csc(C#N)c1 ZINC000921998652 625956824 /nfs/dbraw/zinc/95/68/24/625956824.db2.gz DKAZIMOUAJNVQR-SECBINFHSA-N 0 3 262.300 3.440 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNC1CC(F)(F)C1 ZINC000922061947 625967816 /nfs/dbraw/zinc/96/78/16/625967816.db2.gz XZZGYBPSSMCJJH-UHFFFAOYSA-N 0 3 250.292 3.062 20 30 CGEDHN N#Cc1cc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)cs1 ZINC000922248587 625990072 /nfs/dbraw/zinc/99/00/72/625990072.db2.gz OWTSUUFIBKFVLB-HOTGVXAUSA-N 0 3 298.411 3.282 20 30 CGEDHN C[C@H]1Cc2cc(CNCc3cc(C#N)cs3)ccc2O1 ZINC000922703840 626034659 /nfs/dbraw/zinc/03/46/59/626034659.db2.gz ZWFPFYOUKNQCJF-NSHDSACASA-N 0 3 284.384 3.233 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)CC2CCCCC2)CC1 ZINC001005085207 626085159 /nfs/dbraw/zinc/08/51/59/626085159.db2.gz RUUGIWDYDUXIIX-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccoc2Cl)CC1 ZINC001005323284 626089629 /nfs/dbraw/zinc/08/96/29/626089629.db2.gz JISGAGNWDOXCQA-UHFFFAOYSA-N 0 3 296.798 3.046 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)C2CCCC2)CC1 ZINC001005512074 626091324 /nfs/dbraw/zinc/09/13/24/626091324.db2.gz KYXURMWUZPVDRK-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN Cc1cc(CN[C@H](c2cnn(C)c2)C(C)C)ccc1C#N ZINC000922896136 626094956 /nfs/dbraw/zinc/09/49/56/626094956.db2.gz WOOWNACXJJISQA-KRWDZBQOSA-N 0 3 282.391 3.087 20 30 CGEDHN C#CCC1(NCc2ccc(Br)o2)CCC1 ZINC000923001027 626116728 /nfs/dbraw/zinc/11/67/28/626116728.db2.gz QAGGMBGTZZFFCH-UHFFFAOYSA-N 0 3 268.154 3.078 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2csc(Cl)c2)CC1 ZINC001006088592 626155339 /nfs/dbraw/zinc/15/53/39/626155339.db2.gz UKNLTXWZVPIONW-UHFFFAOYSA-N 0 3 298.839 3.124 20 30 CGEDHN COc1ccc(Cl)cc1CNCC(C)(C)CC#N ZINC000839163501 626330151 /nfs/dbraw/zinc/33/01/51/626330151.db2.gz NLTRDHDKMQIHDX-UHFFFAOYSA-N 0 3 266.772 3.378 20 30 CGEDHN C#CCOCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000753769660 626465261 /nfs/dbraw/zinc/46/52/61/626465261.db2.gz PECFRBIGRGMKHC-GOSISDBHSA-N 0 3 283.346 3.155 20 30 CGEDHN C[C@@H]1CC(N=Nc2cccc3ncccc23)CN1C1CC1 ZINC000753955917 626470164 /nfs/dbraw/zinc/47/01/64/626470164.db2.gz RMDLQRJBNBPAAF-GFCCVEGCSA-N 0 3 280.375 3.259 20 30 CGEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CCCC1 ZINC000754011308 626472193 /nfs/dbraw/zinc/47/21/93/626472193.db2.gz WIUALUOBFYUWNF-HNNXBMFYSA-N 0 3 294.354 3.370 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)CS1 ZINC000754143162 626560491 /nfs/dbraw/zinc/56/04/91/626560491.db2.gz ILTIXSZXSYGHAL-HIFRSBDPSA-N 0 3 278.396 3.317 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cccc2cnccc21 ZINC000755890101 626656273 /nfs/dbraw/zinc/65/62/73/626656273.db2.gz POUYSDUUGBFNLY-LBPRGKRZSA-N 0 3 280.375 3.117 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)c(F)c1 ZINC000755891509 626657019 /nfs/dbraw/zinc/65/70/19/626657019.db2.gz HYVNDFXHGOMGJF-SECBINFHSA-N 0 3 281.762 3.361 20 30 CGEDHN CCCCCCCCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000756896548 626739936 /nfs/dbraw/zinc/73/99/36/626739936.db2.gz LCBDEOIFBFHCBG-CVEARBPZSA-N 0 3 269.429 3.227 20 30 CGEDHN C[C@@H]1CC(N=Nc2cccc(C(F)(F)F)c2)CN1C ZINC000761792161 627060744 /nfs/dbraw/zinc/06/07/44/627060744.db2.gz BQXHGRFVOWZSGD-SECBINFHSA-N 0 3 271.286 3.197 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCSC1)c1ccc2ccccc2n1 ZINC000762064797 627084779 /nfs/dbraw/zinc/08/47/79/627084779.db2.gz XVGYQJPCMKQILQ-OLZOCXBDSA-N 0 3 282.368 3.164 20 30 CGEDHN C#Cc1cccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC000764052231 627192403 /nfs/dbraw/zinc/19/24/03/627192403.db2.gz KDSKTXWSLFSFSQ-SFHVURJKSA-N 0 3 296.414 3.404 20 30 CGEDHN CCC#C[C@H](C)N(CC)C[C@@H](O)c1ccc(C)cc1 ZINC000765498340 627253816 /nfs/dbraw/zinc/25/38/16/627253816.db2.gz AXMFVKGBPPSUFO-DOTOQJQBSA-N 0 3 259.393 3.152 20 30 CGEDHN C#CCCCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000766894952 627367824 /nfs/dbraw/zinc/36/78/24/627367824.db2.gz HNJQHZHSKWFXKF-AOOOYVTPSA-N 0 3 287.247 3.463 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000768359530 627475870 /nfs/dbraw/zinc/47/58/70/627475870.db2.gz FHVXVZALRJEAMK-IBGZPJMESA-N 0 3 292.382 3.431 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(Br)c1C ZINC000769962223 627593102 /nfs/dbraw/zinc/59/31/02/627593102.db2.gz VHADEPBKNWRCDM-SNVBAGLBSA-N 0 3 266.182 3.211 20 30 CGEDHN C#C[C@@H](C)N(C)CCOc1cccc2ccccc21 ZINC000769975281 627593815 /nfs/dbraw/zinc/59/38/15/627593815.db2.gz BZXQVHIGPDYLRU-CQSZACIVSA-N 0 3 253.345 3.172 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1OC ZINC000770002216 627596746 /nfs/dbraw/zinc/59/67/46/627596746.db2.gz KLAXFPJVLZCNIY-IPYPFGDCSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CCCC(=O)O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000770361811 627615703 /nfs/dbraw/zinc/61/57/03/627615703.db2.gz UDKUAWPNOLOSJR-SFHVURJKSA-N 0 3 299.414 3.259 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C2=CCCCCC2)nc(C)n1 ZINC000773971943 627933741 /nfs/dbraw/zinc/93/37/41/627933741.db2.gz LYJIWUJWCDZOLE-AWEZNQCLSA-N 0 3 269.348 3.160 20 30 CGEDHN C#CCOc1ccccc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000775136877 628067213 /nfs/dbraw/zinc/06/72/13/628067213.db2.gz NXUDBYFNCZZZNJ-ZDUSSCGKSA-N 0 3 297.320 3.473 20 30 CGEDHN CC(=O)Oc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000775159768 628067883 /nfs/dbraw/zinc/06/78/83/628067883.db2.gz FBTNCPHDBLTAKK-ZDUSSCGKSA-N 0 3 294.354 3.334 20 30 CGEDHN N#CC1(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000775970700 628153954 /nfs/dbraw/zinc/15/39/54/628153954.db2.gz DESWKVARJOOXNT-UHFFFAOYSA-N 0 3 270.376 3.441 20 30 CGEDHN N#CC1(C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000775970700 628153956 /nfs/dbraw/zinc/15/39/56/628153956.db2.gz DESWKVARJOOXNT-UHFFFAOYSA-N 0 3 270.376 3.441 20 30 CGEDHN N#CC1(CN(Cc2ccccc2O)C2CCCC2)CC1 ZINC000775970700 628153959 /nfs/dbraw/zinc/15/39/59/628153959.db2.gz DESWKVARJOOXNT-UHFFFAOYSA-N 0 3 270.376 3.441 20 30 CGEDHN CC(CN1CCCCCC1)=NOCc1ccccc1 ZINC000777432009 628269816 /nfs/dbraw/zinc/26/98/16/628269816.db2.gz GGZBYAUEYOQEIA-UHFFFAOYSA-N 0 3 260.381 3.455 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C[C@@H]1C ZINC000778155901 628328835 /nfs/dbraw/zinc/32/88/35/628328835.db2.gz LURBEMZOOFOSCM-RYUDHWBXSA-N 0 3 263.768 3.098 20 30 CGEDHN C=CC[N@@H+](CCc1ccco1)Cc1c([O-])cccc1OC ZINC000779170351 628392810 /nfs/dbraw/zinc/39/28/10/628392810.db2.gz UIPVHLIMKXUIRJ-UHFFFAOYSA-N 0 3 287.359 3.225 20 30 CGEDHN C=CC[N@H+](CCc1ccco1)Cc1c([O-])cccc1OC ZINC000779170351 628392812 /nfs/dbraw/zinc/39/28/12/628392812.db2.gz UIPVHLIMKXUIRJ-UHFFFAOYSA-N 0 3 287.359 3.225 20 30 CGEDHN C#CCCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000783436520 628712007 /nfs/dbraw/zinc/71/20/07/628712007.db2.gz CMWFLAZXTILAIN-GOSISDBHSA-N 0 3 299.414 3.388 20 30 CGEDHN CCCCCCCCN1C[C@H](C)O[C@H](COC)C1 ZINC000784367856 628810117 /nfs/dbraw/zinc/81/01/17/628810117.db2.gz CPJOEOBQMIFGCK-GJZGRUSLSA-N 0 3 257.418 3.083 20 30 CGEDHN Cc1nc(C)c(CN[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000785617557 628875104 /nfs/dbraw/zinc/87/51/04/628875104.db2.gz NGIGZEATUBZGKZ-HNNXBMFYSA-N 0 3 283.400 3.409 20 30 CGEDHN CCOC(CCN[C@H](C)c1ccc(C#N)cc1F)OCC ZINC000786965622 628973647 /nfs/dbraw/zinc/97/36/47/628973647.db2.gz BACMNOMJNDXISL-GFCCVEGCSA-N 0 3 294.370 3.137 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000787310674 629008194 /nfs/dbraw/zinc/00/81/94/629008194.db2.gz QPLLQUPBZOQYJB-AWEZNQCLSA-N 0 3 262.372 3.432 20 30 CGEDHN C=C[C@@H](CC)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805908771 629177771 /nfs/dbraw/zinc/17/77/71/629177771.db2.gz FHKJIDYKRHCMCJ-INIZCTEOSA-N 0 3 273.376 3.404 20 30 CGEDHN CC(=N[N-]c1[nH+]ccn1C)c1cccc(OC(F)(F)F)c1 ZINC000790299691 629201116 /nfs/dbraw/zinc/20/11/16/629201116.db2.gz IVGKOKHPTOYFPM-UHFFFAOYSA-N 0 3 298.268 3.155 20 30 CGEDHN C=CCN(Cc1ccc(N(C)C(C)C)nc1)C(C)C ZINC000792162823 629342549 /nfs/dbraw/zinc/34/25/49/629342549.db2.gz PZTHGCJCYDKVHH-UHFFFAOYSA-N 0 3 261.413 3.323 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000862445707 629379329 /nfs/dbraw/zinc/37/93/29/629379329.db2.gz ZZLUQYINWVOPFU-NSHDSACASA-N 0 3 251.732 3.324 20 30 CGEDHN C#CCOc1ccccc1CN1CCCC(F)(F)CC1 ZINC000862466822 629383018 /nfs/dbraw/zinc/38/30/18/629383018.db2.gz LXGONQZLSRRXHZ-UHFFFAOYSA-N 0 3 279.330 3.320 20 30 CGEDHN C#CCCCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000792879572 629389829 /nfs/dbraw/zinc/38/98/29/629389829.db2.gz IWJNAHYSWUFMFW-SFHVURJKSA-N 0 3 269.388 3.370 20 30 CGEDHN CC[C@H](C)CON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000793159637 629419159 /nfs/dbraw/zinc/41/91/59/629419159.db2.gz PXABOOZLDMLWSX-AWEZNQCLSA-N 0 3 290.407 3.310 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC000793446010 629467288 /nfs/dbraw/zinc/46/72/88/629467288.db2.gz RVBVRBVEWRGTBD-INIZCTEOSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000793554041 629483213 /nfs/dbraw/zinc/48/32/13/629483213.db2.gz PMFXBHPQMJDPBY-CZUORRHYSA-N 0 3 292.398 3.467 20 30 CGEDHN CC(=NNc1ccnc(C)c1)c1csc(C(C)C)n1 ZINC000863159064 629484042 /nfs/dbraw/zinc/48/40/42/629484042.db2.gz BCFMFQIQIJTJOH-UHFFFAOYSA-N 0 3 274.393 3.228 20 30 CGEDHN Cc1cc(NN=Cc2ccccc2OC(C)C)ccn1 ZINC000863158481 629484419 /nfs/dbraw/zinc/48/44/19/629484419.db2.gz CYQQSLZLNZFHQP-UHFFFAOYSA-N 0 3 269.348 3.045 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CC(C)(C)COC)c([O-])c1 ZINC000793654511 629493222 /nfs/dbraw/zinc/49/32/22/629493222.db2.gz MDZNZFUBQMHTEQ-WQRHYEAKSA-N 0 3 292.423 3.330 20 30 CGEDHN CCCCCCCCCN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000795088476 629631412 /nfs/dbraw/zinc/63/14/12/629631412.db2.gz VZBRGXAUZFZPOP-OAHLLOKOSA-N 0 3 289.485 3.104 20 30 CGEDHN COCC(C)(C)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000795192462 629642513 /nfs/dbraw/zinc/64/25/13/629642513.db2.gz KBDIOUVUMGUSOS-UHFFFAOYSA-N 0 3 296.798 3.099 20 30 CGEDHN C#CCCCCCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000839822721 629938294 /nfs/dbraw/zinc/93/82/94/629938294.db2.gz JZTVHTFMFQTYOB-UHFFFAOYSA-N 0 3 290.382 3.410 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)c1ccccn1 ZINC000797943891 630005134 /nfs/dbraw/zinc/00/51/34/630005134.db2.gz XKJRLEFJPYACQS-MNOVXSKESA-N 0 3 264.275 3.083 20 30 CGEDHN N#Cc1ccc(C[NH2+]Cc2ccccc2[O-])cc1Cl ZINC000800895414 630309769 /nfs/dbraw/zinc/30/97/69/630309769.db2.gz DTUZLACVAVVTRV-UHFFFAOYSA-N 0 3 272.735 3.207 20 30 CGEDHN C=CCCC[C@@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000801873621 630361818 /nfs/dbraw/zinc/36/18/18/630361818.db2.gz WJYNWWPXVWUVAM-CYBMUJFWSA-N 0 3 265.397 3.149 20 30 CGEDHN C[C@@H](C#N)OCCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000801912498 630365113 /nfs/dbraw/zinc/36/51/13/630365113.db2.gz UDQVKWCWQXXGAJ-JTQLQIEISA-N 0 3 287.190 3.354 20 30 CGEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCO[C@@H](C)C#N)o1 ZINC000801926008 630368009 /nfs/dbraw/zinc/36/80/09/630368009.db2.gz UATNBEADDGQLFM-QEJZJMRPSA-N 0 3 276.380 3.290 20 30 CGEDHN C[C@H](C#N)OCCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000801937857 630370922 /nfs/dbraw/zinc/37/09/22/630370922.db2.gz AOXFALIYHZTJOO-WKPOEDDGSA-N 0 3 270.376 3.093 20 30 CGEDHN CCCCCCCCCNC(=O)N1CCN2CCC1CC2 ZINC000806333747 630559464 /nfs/dbraw/zinc/55/94/64/630559464.db2.gz XJVGIKQDIRSAAZ-UHFFFAOYSA-N 0 3 295.471 3.227 20 30 CGEDHN C#CCCCCC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000807680337 630596609 /nfs/dbraw/zinc/59/66/09/630596609.db2.gz PCEUSZGUUDIWND-GJZGRUSLSA-N 0 3 290.407 3.019 20 30 CGEDHN C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000808713239 630669049 /nfs/dbraw/zinc/66/90/49/630669049.db2.gz FXLGATTXLIIWSD-CQDKDKBSSA-N 0 3 293.794 3.185 20 30 CGEDHN CC(=O)[C@](C#N)(CCN(C)CCC1CC1)c1ccccc1 ZINC000878288613 635445267 /nfs/dbraw/zinc/44/52/67/635445267.db2.gz ZKDNSDBZLGNENS-GOSISDBHSA-N 0 3 284.403 3.159 20 30 CGEDHN CCN(C[C@H](O)CC#N)[C@H](C)c1cc2ccccc2o1 ZINC000809572001 630752356 /nfs/dbraw/zinc/75/23/56/630752356.db2.gz GKXBNNHDSAWEPM-TZMCWYRMSA-N 0 3 272.348 3.090 20 30 CGEDHN C#Cc1ccc(CNCc2cc(C)cc(OC)c2)cc1 ZINC000809627915 630766977 /nfs/dbraw/zinc/76/69/77/630766977.db2.gz KTYOOGAJROCPQC-UHFFFAOYSA-N 0 3 265.356 3.275 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(O)cc2)cc1 ZINC000809754010 630800158 /nfs/dbraw/zinc/80/01/58/630800158.db2.gz ZURPWKYXCODERL-CQSZACIVSA-N 0 3 296.370 3.315 20 30 CGEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)C(C)(C)C ZINC000809782509 630807561 /nfs/dbraw/zinc/80/75/61/630807561.db2.gz WRKZYFJAJKGISU-OAHLLOKOSA-N 0 3 285.366 3.353 20 30 CGEDHN C#CCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000810076308 630835504 /nfs/dbraw/zinc/83/55/04/630835504.db2.gz ZUEWQNORXZPAJM-GOSISDBHSA-N 0 3 265.356 3.202 20 30 CGEDHN C[C@@H](CCc1cccc(F)c1)NCc1nc(C#N)cs1 ZINC000810146608 630847218 /nfs/dbraw/zinc/84/72/18/630847218.db2.gz UBTIZMYOJGMATP-NSHDSACASA-N 0 3 289.379 3.265 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000811512753 631079908 /nfs/dbraw/zinc/07/99/08/631079908.db2.gz RUAHQOIMYBHTCV-CHWSQXEVSA-N 0 3 294.345 3.455 20 30 CGEDHN C(NN=C1CCCC[C@@H]1N1CCCCC1)[C@@H]1CCSC1 ZINC000811659945 631102058 /nfs/dbraw/zinc/10/20/58/631102058.db2.gz CHNMEDQKJGRWAM-HOCLYGCPSA-N 0 3 295.496 3.114 20 30 CGEDHN C#CCOc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000813332392 631410300 /nfs/dbraw/zinc/41/03/00/631410300.db2.gz XSEAJIPURFWYLZ-UHFFFAOYSA-N 0 3 255.361 3.075 20 30 CGEDHN C[C@@H](C#N)OCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666462 631619117 /nfs/dbraw/zinc/61/91/17/631619117.db2.gz HCTNBOSZXAUGPQ-JSGCOSHPSA-N 0 3 278.783 3.058 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cc(Cl)nc(Cl)c1 ZINC000819830124 632529037 /nfs/dbraw/zinc/52/90/37/632529037.db2.gz AMRWXOMCLKJXPP-MRVPVSSYSA-N 0 3 299.205 3.270 20 30 CGEDHN C=CCSCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000105462454 635833351 /nfs/dbraw/zinc/83/33/51/635833351.db2.gz UZAMGKSBDONZHT-DGCLKSJQSA-N 0 3 251.395 3.412 20 30 CGEDHN N#CC1(CN[C@H](C2CCC2)[C@H]2CCCO2)CCCCC1 ZINC000866391012 633118528 /nfs/dbraw/zinc/11/85/28/633118528.db2.gz YLIJOWNGVNWCQW-HZPDHXFCSA-N 0 3 276.424 3.398 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@H]1F)CC2 ZINC000866451989 633141011 /nfs/dbraw/zinc/14/10/11/633141011.db2.gz SDPPNDKZZISWQN-OAGGEKHMSA-N 0 3 258.340 3.416 20 30 CGEDHN CN(C)c1ccc(C=NOCc2ccccc2)cc1 ZINC000823868886 633161857 /nfs/dbraw/zinc/16/18/57/633161857.db2.gz NLAGNCAYDMRMMX-UHFFFAOYSA-N 0 3 254.333 3.303 20 30 CGEDHN Cc1csc([C@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000866615871 633215874 /nfs/dbraw/zinc/21/58/74/633215874.db2.gz JCJIXFHTNQXYFS-XHDPSFHLSA-N 0 3 283.400 3.141 20 30 CGEDHN C#C[C@H](N[C@@H](C)Cc1ccoc1)c1ccc(F)cc1 ZINC000824423591 633243515 /nfs/dbraw/zinc/24/35/15/633243515.db2.gz QRQUOXJLFDKANE-LRDDRELGSA-N 0 3 257.308 3.314 20 30 CGEDHN C=CC(C)(C)CNCc1c(Cl)n(C)nc1C(C)C ZINC000824783508 633288541 /nfs/dbraw/zinc/28/85/41/633288541.db2.gz OTHLDYLJPVSFAZ-UHFFFAOYSA-N 0 3 269.820 3.499 20 30 CGEDHN C=CC[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000826946187 633445160 /nfs/dbraw/zinc/44/51/60/633445160.db2.gz FUROEJYAFMEEGA-ZDUSSCGKSA-N 0 3 261.365 3.189 20 30 CGEDHN C=CC[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000826946187 633445163 /nfs/dbraw/zinc/44/51/63/633445163.db2.gz FUROEJYAFMEEGA-ZDUSSCGKSA-N 0 3 261.365 3.189 20 30 CGEDHN C#CCOc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000827630450 633505421 /nfs/dbraw/zinc/50/54/21/633505421.db2.gz ZDBGKRLKTNUYLE-UHFFFAOYSA-N 0 3 296.370 3.066 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000870115691 633533017 /nfs/dbraw/zinc/53/30/17/633533017.db2.gz JFZQHYSPPJSYFD-JHJVBQTASA-N 0 3 295.386 3.432 20 30 CGEDHN C[C@]1(CN2CCC(C)(C#N)CC2)CC1(Cl)Cl ZINC000828748078 633648326 /nfs/dbraw/zinc/64/83/26/633648326.db2.gz CBIWONCLPMTIPB-LLVKDONJSA-N 0 3 261.196 3.196 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)C1 ZINC000829810088 633792595 /nfs/dbraw/zinc/79/25/95/633792595.db2.gz LSARKUVERZOHSM-GFCCVEGCSA-N 0 3 282.309 3.336 20 30 CGEDHN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@](O)(CC#N)C1 ZINC000829975796 633814795 /nfs/dbraw/zinc/81/47/95/633814795.db2.gz TXWJIBFSHBQPID-SMDDNHRTSA-N 0 3 298.308 3.117 20 30 CGEDHN C[C@@H](NC[C@H]1CC(C)(C)CO1)c1ccc(C#N)cc1F ZINC000872105197 634026507 /nfs/dbraw/zinc/02/65/07/634026507.db2.gz CTYNCTFPSNETPB-DGCLKSJQSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834902504 634279285 /nfs/dbraw/zinc/27/92/85/634279285.db2.gz BPADCQPJEYHQLF-WCQYABFASA-N 0 3 283.799 3.332 20 30 CGEDHN COc1ccc(C(C)=NOC(C)C)cc1CN1CCCC1 ZINC000835004701 634310115 /nfs/dbraw/zinc/31/01/15/634310115.db2.gz WOCSAHOCOHEGBY-UHFFFAOYSA-N 0 3 290.407 3.440 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCCc2ccccc21 ZINC000876685515 634880683 /nfs/dbraw/zinc/88/06/83/634880683.db2.gz GCCWBDYWSZWRHD-AWEZNQCLSA-N 0 3 292.810 3.216 20 30 CGEDHN Cc1ccc(NC(=O)C#CC(C)(C)C)c(CN(C)C)c1 ZINC000837418553 634905407 /nfs/dbraw/zinc/90/54/07/634905407.db2.gz GAFPDGDLEDGYOH-UHFFFAOYSA-N 0 3 272.392 3.045 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000876909403 634927539 /nfs/dbraw/zinc/92/75/39/634927539.db2.gz XWCVYFWEGXDRNM-CMPLNLGQSA-N 0 3 292.766 3.080 20 30 CGEDHN Cc1cccc(CCNCc2cc(C#N)cnc2Cl)c1 ZINC000876999697 634946712 /nfs/dbraw/zinc/94/67/12/634946712.db2.gz VTJBELLDTJUHGP-UHFFFAOYSA-N 0 3 285.778 3.247 20 30 CGEDHN C#CCCCCCC[NH2+][C@H](C)c1nnc(C(C)C)[n-]1 ZINC000877126059 634992747 /nfs/dbraw/zinc/99/27/47/634992747.db2.gz DWWLTCQYSXGTDU-CYBMUJFWSA-N 0 3 262.401 3.162 20 30 CGEDHN C#CCCCCCN(C)Cc1c(C)nc2sccn12 ZINC000878270553 635439284 /nfs/dbraw/zinc/43/92/84/635439284.db2.gz XHVGOMSJTBKFNX-UHFFFAOYSA-N 0 3 275.421 3.330 20 30 CGEDHN C=C/C=C/CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000878557766 635555739 /nfs/dbraw/zinc/55/57/39/635555739.db2.gz MPISXXFIYMLYRE-ONEGZZNKSA-N 0 3 267.376 3.071 20 30 CGEDHN C#C[C@H]1CCCN(Cc2oc(-c3ccccc3)nc2C)C1 ZINC000878843933 635641184 /nfs/dbraw/zinc/64/11/84/635641184.db2.gz MXDHVOOOJZGBIS-HNNXBMFYSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cccc(OC)c2F)C1 ZINC000843424302 635668275 /nfs/dbraw/zinc/66/82/75/635668275.db2.gz YKWVHCHRJNQDKV-CYBMUJFWSA-N 0 3 261.340 3.070 20 30 CGEDHN C#CCCCCCN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879502383 635799964 /nfs/dbraw/zinc/79/99/64/635799964.db2.gz GRLUAQGJZGBBPB-QGZVFWFLSA-N 0 3 283.419 3.060 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cc(OC(C)C)ccn2)C1 ZINC000844348468 635876078 /nfs/dbraw/zinc/87/60/78/635876078.db2.gz ZEPXABINFXKCGV-OAHLLOKOSA-N 0 3 272.392 3.104 20 30 CGEDHN C[C@H](CCC#N)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880251062 635956271 /nfs/dbraw/zinc/95/62/71/635956271.db2.gz PQXPEBIXXVSYLD-CVEARBPZSA-N 0 3 271.408 3.057 20 30 CGEDHN CC(C)(C#N)CCN[C@H](Cn1ccnc1)c1ccccc1 ZINC000880570579 636023807 /nfs/dbraw/zinc/02/38/07/636023807.db2.gz YAINPGMXVRWWPX-MRXNPFEDSA-N 0 3 282.391 3.154 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@](C)(O)c1ccccc1 ZINC000846039926 636135854 /nfs/dbraw/zinc/13/58/54/636135854.db2.gz VMBHPAYXQODWTE-SCLBCKFNSA-N 0 3 298.361 3.083 20 30 CGEDHN C#Cc1ccc(CN(Cc2cnn(CC)c2)C(C)C)cc1 ZINC000846054759 636138954 /nfs/dbraw/zinc/13/89/54/636138954.db2.gz FRWVOWARZQJUKT-UHFFFAOYSA-N 0 3 281.403 3.295 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cnc3ccc(C)cc3c2)C1 ZINC000847019453 636313026 /nfs/dbraw/zinc/31/30/26/636313026.db2.gz QMQGIJVWEQYVGH-OAHLLOKOSA-N 0 3 264.372 3.388 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OC)c(OC)c2C)cc1 ZINC000883132288 636549257 /nfs/dbraw/zinc/54/92/57/636549257.db2.gz LUYJSPTUVRJROC-UHFFFAOYSA-N 0 3 295.382 3.283 20 30 CGEDHN C#C[C@H]1CCCN(c2ccnc3ccc(C)cc32)C1 ZINC000848751005 636650766 /nfs/dbraw/zinc/65/07/66/636650766.db2.gz LHQWUZHVCGDXSQ-AWEZNQCLSA-N 0 3 250.345 3.393 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc3cc(OC)ccc3o2)C1 ZINC000848923354 636693675 /nfs/dbraw/zinc/69/36/75/636693675.db2.gz CDCQLQRLJKPPTB-ZDUSSCGKSA-N 0 3 269.344 3.287 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc3cccc(OC)c3o2)C1 ZINC000848924173 636695562 /nfs/dbraw/zinc/69/55/62/636695562.db2.gz WJCALNHIWUWFIG-ZDUSSCGKSA-N 0 3 269.344 3.287 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000848923760 636695775 /nfs/dbraw/zinc/69/57/75/636695775.db2.gz PMPTVRYIHOHAGZ-ZDUSSCGKSA-N 0 3 283.350 3.061 20 30 CGEDHN N#Cc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000850487556 637088011 /nfs/dbraw/zinc/08/80/11/637088011.db2.gz IGVHEJUIBXKVTR-INIZCTEOSA-N 0 3 278.355 3.083 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)CCCCC1 ZINC000850550211 637117595 /nfs/dbraw/zinc/11/75/95/637117595.db2.gz NMXSSTXSWOQHEL-RDBSUJKOSA-N 0 3 296.505 3.430 20 30 CGEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)[C@H]1CCCO1 ZINC000850783092 637151930 /nfs/dbraw/zinc/15/19/30/637151930.db2.gz WABWWLQECVEJNX-LALPHHSUSA-N 0 3 298.342 3.209 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCC2)CO1 ZINC000885938390 637321419 /nfs/dbraw/zinc/32/14/19/637321419.db2.gz YWGHJKMKRYBQPK-QGZVFWFLSA-N 0 3 284.403 3.339 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000886356212 637510770 /nfs/dbraw/zinc/51/07/70/637510770.db2.gz WDASWXZMZMFQBV-CYBMUJFWSA-N 0 3 284.334 3.326 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000886363746 637514565 /nfs/dbraw/zinc/51/45/65/637514565.db2.gz BFQBOZKHIVDCTC-LBPRGKRZSA-N 0 3 258.752 3.057 20 30 CGEDHN C#CCN(C(=O)CCCC[C@@H](C)CC)C1CCN(C)CC1 ZINC000886579055 637589458 /nfs/dbraw/zinc/58/94/58/637589458.db2.gz WCRRQCWMSCULPR-INIZCTEOSA-N 0 3 292.467 3.149 20 30 CGEDHN CC[C@@H]1COC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000852555867 637678210 /nfs/dbraw/zinc/67/82/10/637678210.db2.gz AGYQRWBKBQOMPR-HIFRSBDPSA-N 0 3 297.320 3.072 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886815941 637703032 /nfs/dbraw/zinc/70/30/32/637703032.db2.gz LUAULWLQTLZOPS-RDJZCZTQSA-N 0 3 289.806 3.192 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000222448275 637797639 /nfs/dbraw/zinc/79/76/39/637797639.db2.gz RFAIBDGCVLWVCB-HNNXBMFYSA-N 0 3 285.391 3.116 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CC(CC3CC3)C2)cc1 ZINC000857066545 638448672 /nfs/dbraw/zinc/44/86/72/638448672.db2.gz NHADBKYDPFWRMI-CYBMUJFWSA-N 0 3 270.376 3.209 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1cccc(Br)n1 ZINC000925255880 638486894 /nfs/dbraw/zinc/48/68/94/638486894.db2.gz HFTBDBRWEJYGFG-IUCAKERBSA-N 0 3 255.159 3.069 20 30 CGEDHN C#CC[C@@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000858335541 638685425 /nfs/dbraw/zinc/68/54/25/638685425.db2.gz XGRPJUGJZRFPJU-SFHVURJKSA-N 0 3 295.382 3.187 20 30 CGEDHN C#CC[C@@H](COC)NCc1cc(Cl)cc2cccnc21 ZINC000858334876 638685669 /nfs/dbraw/zinc/68/56/69/638685669.db2.gz HEYAHIDBFXZYFQ-HNNXBMFYSA-N 0 3 288.778 3.016 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc2c(n1)CCCC2 ZINC000926291580 638759944 /nfs/dbraw/zinc/75/99/44/638759944.db2.gz BWJQLJGHWUDBSY-ZDUSSCGKSA-N 0 3 271.408 3.378 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926530923 638781927 /nfs/dbraw/zinc/78/19/27/638781927.db2.gz CZMPPFRFXBGUOK-KFWWJZLASA-N 0 3 292.810 3.436 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccnn1C1CCC1 ZINC000926570837 638786730 /nfs/dbraw/zinc/78/67/30/638786730.db2.gz ZDAUGRFUTKXIDA-LBPRGKRZSA-N 0 3 260.385 3.199 20 30 CGEDHN CC(C)(C#N)CNC1CC(Sc2ccccc2)C1 ZINC000926872821 638819804 /nfs/dbraw/zinc/81/98/04/638819804.db2.gz BLUPRVAWQIRHNP-UHFFFAOYSA-N 0 3 260.406 3.449 20 30 CGEDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1cccc(C#N)c1 ZINC000927139503 638846753 /nfs/dbraw/zinc/84/67/53/638846753.db2.gz LUIHWKCNFLCMJQ-BKTGTZMESA-N 0 3 292.382 3.257 20 30 CGEDHN C=CCC[C@H](NCCNc1ccc(C#N)cn1)c1ccco1 ZINC000927166616 638849421 /nfs/dbraw/zinc/84/94/21/638849421.db2.gz ZMDVWMKFPFNIFH-HNNXBMFYSA-N 0 3 296.374 3.255 20 30 CGEDHN CC[C@H](NCCNc1ccc(C#N)cn1)c1ccccc1F ZINC000927164843 638849516 /nfs/dbraw/zinc/84/95/16/638849516.db2.gz PMJMIRQFUQPBOI-INIZCTEOSA-N 0 3 298.365 3.245 20 30 CGEDHN CCCCCN(Cc1ccc(F)cc1)C[C@H](O)CC#N ZINC000929144819 638902586 /nfs/dbraw/zinc/90/25/86/638902586.db2.gz QVODSXZNHJTDQS-MRXNPFEDSA-N 0 3 278.371 3.092 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000929265050 638913458 /nfs/dbraw/zinc/91/34/58/638913458.db2.gz VLGHVMQMGMSWLN-GOEBONIOSA-N 0 3 274.408 3.008 20 30 CGEDHN CCOCCN(CC)Cc1cc(Cl)cc(C#N)c1 ZINC000929601644 638933421 /nfs/dbraw/zinc/93/34/21/638933421.db2.gz QVZUJPOFKVFBRH-UHFFFAOYSA-N 0 3 266.772 3.070 20 30 CGEDHN C=C[C@@H](CC)CC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000930136537 638977272 /nfs/dbraw/zinc/97/72/72/638977272.db2.gz MPNRSVJNGLFUOT-ZDUSSCGKSA-N 0 3 290.407 3.298 20 30 CGEDHN C/C=C/C[C@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000931337446 639137243 /nfs/dbraw/zinc/13/72/43/639137243.db2.gz JXZQLKFFKJFEQB-HSWBROFVSA-N 0 3 255.365 3.131 20 30 CGEDHN CN1CCN(CCCCC2(C#N)CCC2)Cc2cccnc21 ZINC000931568815 639171942 /nfs/dbraw/zinc/17/19/42/639171942.db2.gz CUNUHQRFCXMLCC-UHFFFAOYSA-N 0 3 298.434 3.198 20 30 CGEDHN N#CCCCN[C@H]1CCOc2ccc(Br)cc21 ZINC000932204780 639295182 /nfs/dbraw/zinc/29/51/82/639295182.db2.gz FSWUMQBXMFGXHB-LBPRGKRZSA-N 0 3 295.180 3.166 20 30 CGEDHN C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000932344755 639318186 /nfs/dbraw/zinc/31/81/86/639318186.db2.gz CLYQNRTYDBMEJT-AWEZNQCLSA-N 0 3 272.392 3.099 20 30 CGEDHN CC(C)(C)NC(=O)[C@@H]1CCCN1CCCCC(C)(C)C#N ZINC000932435164 639333072 /nfs/dbraw/zinc/33/30/72/639333072.db2.gz RKDYUWUOGJAPAT-AWEZNQCLSA-N 0 3 293.455 3.086 20 30 CGEDHN C=CC[C@@H](C)N1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932654130 639372420 /nfs/dbraw/zinc/37/24/20/639372420.db2.gz XGTZVCDCQGSUOE-LLVKDONJSA-N 0 3 293.329 3.159 20 30 CGEDHN C=CC[C@H]1CCN1Cc1ccc(OC(F)F)c(OC)c1 ZINC000934472336 639615556 /nfs/dbraw/zinc/61/55/56/639615556.db2.gz LVYMJPJRPHZGTC-LBPRGKRZSA-N 0 3 283.318 3.447 20 30 CGEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1Cl ZINC000934511838 639622442 /nfs/dbraw/zinc/62/24/42/639622442.db2.gz VDBPMKXBSCDOOM-CYBMUJFWSA-N 0 3 290.794 3.156 20 30 CGEDHN C=CCCCN(CC)Cc1cc(C(F)(F)F)nn1C ZINC000934642073 639649005 /nfs/dbraw/zinc/64/90/05/639649005.db2.gz KKXLLZFNVOCSBK-UHFFFAOYSA-N 0 3 275.318 3.227 20 30 CGEDHN Fc1ccc(C#CCN[C@H](c2ccncc2)C2CC2)cc1 ZINC000934695191 639660149 /nfs/dbraw/zinc/66/01/49/639660149.db2.gz MQDFLSJQKJIXLR-SFHVURJKSA-N 0 3 280.346 3.313 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000935985933 639878284 /nfs/dbraw/zinc/87/82/84/639878284.db2.gz QXZDHRCZNRIDJD-CJNGLKHVSA-N 0 3 292.398 3.147 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C3CC3)cc2)CC1 ZINC001006435307 640210225 /nfs/dbraw/zinc/21/02/25/640210225.db2.gz MUSWQMBUTPSVOT-UHFFFAOYSA-N 0 3 298.430 3.286 20 30 CGEDHN C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091956712 640728364 /nfs/dbraw/zinc/72/83/64/640728364.db2.gz BZVYBTDJZCWGLL-CQSZACIVSA-N 0 3 296.370 3.315 20 30 CGEDHN C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091956712 640728368 /nfs/dbraw/zinc/72/83/68/640728368.db2.gz BZVYBTDJZCWGLL-CQSZACIVSA-N 0 3 296.370 3.315 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001006860974 640937949 /nfs/dbraw/zinc/93/79/49/640937949.db2.gz DAJXGKRPHMGHCW-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CC[C@@H](C)F)C2)CC1 ZINC001008423239 640950288 /nfs/dbraw/zinc/95/02/88/640950288.db2.gz QJTWFOBPGKARAB-GDBMZVCRSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016425217 640999289 /nfs/dbraw/zinc/99/92/89/640999289.db2.gz SJCMZFPFQWXKRF-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001017821745 641017017 /nfs/dbraw/zinc/01/70/17/641017017.db2.gz GYXVXEZWWVVQNA-VVLHAWIVSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001018288559 641022814 /nfs/dbraw/zinc/02/28/14/641022814.db2.gz ISRUMUPMUBWCGV-IYBDPMFKSA-N 0 3 292.467 3.454 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001155710614 805607214 /nfs/dbraw/zinc/60/72/14/805607214.db2.gz PSOIWDFLUZHKSV-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCCc1nc2c(cccc2N2CCN(C)CC2)[nH]1 ZINC001250613440 805724585 /nfs/dbraw/zinc/72/45/85/805724585.db2.gz ASIVGWDGUZRLLS-UHFFFAOYSA-N 0 3 298.434 3.214 20 30 CGEDHN C=CCN(c1cc(N2CCCC2)nc(C)n1)C(C)(C)C ZINC001157583464 805838715 /nfs/dbraw/zinc/83/87/15/805838715.db2.gz WZAZWEJNWZXFJP-UHFFFAOYSA-N 0 3 274.412 3.176 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC(CC)CC ZINC001158667571 805982314 /nfs/dbraw/zinc/98/23/14/805982314.db2.gz USNIBXLBQMFRMT-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CC2(CSC2)C1 ZINC001252134775 806021369 /nfs/dbraw/zinc/02/13/69/806021369.db2.gz YVQXKTHVNFSVBK-CQSZACIVSA-N 0 3 271.470 3.147 20 30 CGEDHN C=C[C@@](C)(O)CNCc1cccc(Cl)c1Cl ZINC001252572741 806072666 /nfs/dbraw/zinc/07/26/66/806072666.db2.gz UGKAWJQXGCGDAZ-GFCCVEGCSA-N 0 3 260.164 3.020 20 30 CGEDHN C=CCC[C@@H](O)CNc1ccncc1Oc1ccccc1 ZINC001252590098 806077541 /nfs/dbraw/zinc/07/75/41/806077541.db2.gz YMVFWUDWVDQQHH-CQSZACIVSA-N 0 3 284.359 3.035 20 30 CGEDHN N#Cc1cc(Nc2c([O-])cccc2Cl)cc(C2C[NH2+]C2)c1 ZINC001159616211 806134862 /nfs/dbraw/zinc/13/48/62/806134862.db2.gz NQHSUTOVKRGABZ-UHFFFAOYSA-N 0 3 299.761 3.348 20 30 CGEDHN N#Cc1ccc(C2(NC[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001252864066 806136165 /nfs/dbraw/zinc/13/61/65/806136165.db2.gz VEWYTIKFBMPRAA-QGZVFWFLSA-N 0 3 296.345 3.010 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001160253441 806242894 /nfs/dbraw/zinc/24/28/94/806242894.db2.gz SUXQXTAEKHCAPT-GOSISDBHSA-N 0 3 288.435 3.057 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2(CC(C)C)CC2)CC1 ZINC001160342146 806258523 /nfs/dbraw/zinc/25/85/23/806258523.db2.gz GVMJZANOLJNYDA-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C[C@H](O)CN1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001253587020 806265417 /nfs/dbraw/zinc/26/54/17/806265417.db2.gz XNGRZHFQPXYCIR-BEVDRBHNSA-N 0 3 291.394 3.410 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N(CC#N)Cc1ccccc1 ZINC001160668532 806294228 /nfs/dbraw/zinc/29/42/28/806294228.db2.gz WHXNODOTWYGQQY-KRWDZBQOSA-N 0 3 299.418 3.003 20 30 CGEDHN C=C[C@@H](NC[C@H](O)COc1ccc(C)cc1)c1ccccc1 ZINC001253850340 806316308 /nfs/dbraw/zinc/31/63/08/806316308.db2.gz DBZBUHCUVVDNMH-PKOBYXMFSA-N 0 3 297.398 3.252 20 30 CGEDHN N#C[C@@H]1CCCN(C2CCc3ccccc3CC2)C1 ZINC001254461515 806409411 /nfs/dbraw/zinc/40/94/11/806409411.db2.gz IFDLLDYLKRUWFC-AWEZNQCLSA-N 0 3 254.377 3.170 20 30 CGEDHN COc1ccccc1[C@H](C)N(C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254668221 806479373 /nfs/dbraw/zinc/47/93/73/806479373.db2.gz FLRXYRSYCBCLOA-BFHYXJOUSA-N 0 3 258.365 3.380 20 30 CGEDHN CC(C)P(CCNc1nc(Cl)ncc1C#N)C(C)C ZINC001162358105 806564023 /nfs/dbraw/zinc/56/40/23/806564023.db2.gz KHYPIMOBHPFBFF-UHFFFAOYSA-N 0 3 298.758 3.134 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC=CCC1 ZINC000123456405 798994240 /nfs/dbraw/zinc/99/42/40/798994240.db2.gz XVCUURHBBVTZFW-CHWSQXEVSA-N 0 3 279.343 3.106 20 30 CGEDHN CC(C)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130476331 799026160 /nfs/dbraw/zinc/02/61/60/799026160.db2.gz UKPYBLZKIZMZBL-NSHDSACASA-N 0 3 299.157 3.297 20 30 CGEDHN C#CCCCCNCc1ccsc1Br ZINC000388900931 799457680 /nfs/dbraw/zinc/45/76/80/799457680.db2.gz UZQWTMYWIPVVIK-UHFFFAOYSA-N 0 3 272.211 3.404 20 30 CGEDHN Cc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccn1 ZINC000391160349 799477142 /nfs/dbraw/zinc/47/71/42/799477142.db2.gz TTXYYVHDRZONPD-CQSZACIVSA-N 0 3 281.359 3.143 20 30 CGEDHN C#CCCC1(CCNc2ncccc2CN2CCCC2)N=N1 ZINC001163385234 806755421 /nfs/dbraw/zinc/75/54/21/806755421.db2.gz IZYQUBDAZDGOOF-UHFFFAOYSA-N 0 3 297.406 3.055 20 30 CGEDHN C[C@H](Cc1ccc(F)cc1)NCc1cc(C#N)co1 ZINC001255865746 806775699 /nfs/dbraw/zinc/77/56/99/806775699.db2.gz GFJVEDPCPUWBFL-LLVKDONJSA-N 0 3 258.296 3.011 20 30 CGEDHN C#C[C@H](NCc1ccc(OCC)c(OC)c1)C(C)(C)C ZINC000702251434 799906722 /nfs/dbraw/zinc/90/67/22/799906722.db2.gz WOHXNHHHOVTTQD-INIZCTEOSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@@H](NCc1ccc(Cl)c(OC)c1)C(C)C ZINC000703692312 799928850 /nfs/dbraw/zinc/92/88/50/799928850.db2.gz GYDBWXJOWZHTDF-CYBMUJFWSA-N 0 3 251.757 3.096 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](c3nccs3)C2)cc1C#N ZINC000710353742 800032897 /nfs/dbraw/zinc/03/28/97/800032897.db2.gz CQCJPXLIBTVABB-CQSZACIVSA-N 0 3 283.400 3.313 20 30 CGEDHN C=C(Cl)CNC1CC(OCc2ccccc2)C1 ZINC000716171215 800164802 /nfs/dbraw/zinc/16/48/02/800164802.db2.gz CIYDPPJULYZIAR-UHFFFAOYSA-N 0 3 251.757 3.076 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000721559293 800294472 /nfs/dbraw/zinc/29/44/72/800294472.db2.gz LTPSCBBSWQCLQB-CVEARBPZSA-N 0 3 255.365 3.108 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(C#N)c2)n1 ZINC000799599368 800395388 /nfs/dbraw/zinc/39/53/88/800395388.db2.gz BOAQKNRBBWTDJD-ZDUSSCGKSA-N 0 3 281.340 3.122 20 30 CGEDHN CCCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000822876864 800464358 /nfs/dbraw/zinc/46/43/58/800464358.db2.gz JIIXIQGFJMSSDZ-JXCQQFQQSA-N 0 3 297.358 3.298 20 30 CGEDHN CCCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000822876865 800464541 /nfs/dbraw/zinc/46/45/41/800464541.db2.gz JIIXIQGFJMSSDZ-XBUHWIKASA-N 0 3 297.358 3.298 20 30 CGEDHN COc1cccc(C[C@@H](C)NCc2ccccc2C#N)c1 ZINC001256146392 806834577 /nfs/dbraw/zinc/83/45/77/806834577.db2.gz XNZVSBGYIZNONB-CQSZACIVSA-N 0 3 280.371 3.288 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001027898614 800825698 /nfs/dbraw/zinc/82/56/98/800825698.db2.gz KCOZZFAFVVYJJG-MRXNPFEDSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001027918572 800825830 /nfs/dbraw/zinc/82/58/30/800825830.db2.gz OSRRUTDYIMIBBX-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028032434 800828662 /nfs/dbraw/zinc/82/86/62/800828662.db2.gz WAEAYUUMDUQBQQ-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001028276564 800837697 /nfs/dbraw/zinc/83/76/97/800837697.db2.gz KRNNNHKKZPLDOB-CYBMUJFWSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032312161 800924495 /nfs/dbraw/zinc/92/44/95/800924495.db2.gz YETLGOGVFQKVOL-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001033096672 800952505 /nfs/dbraw/zinc/95/25/05/800952505.db2.gz BPOUVERENSBDHN-NSHDSACASA-N 0 3 298.839 3.124 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033104967 800952682 /nfs/dbraw/zinc/95/26/82/800952682.db2.gz WZUPYDCDUGGOQQ-INIZCTEOSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033750486 800982064 /nfs/dbraw/zinc/98/20/64/800982064.db2.gz SFLZYXTXFXEKFW-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033927825 800989274 /nfs/dbraw/zinc/98/92/74/800989274.db2.gz QNRUECBSFOTAKK-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN CN(C)/C=N/c1ccc(NC2(C)CCC2)cc1C#N ZINC001164031620 806877371 /nfs/dbraw/zinc/87/73/71/806877371.db2.gz IIAPOVKETWOKKI-GZTJUZNOSA-N 0 3 256.353 3.134 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034101747 801005938 /nfs/dbraw/zinc/00/59/38/801005938.db2.gz NZGYGPUSKGNEJY-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCCN1CCCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001034198007 801011521 /nfs/dbraw/zinc/01/15/21/801011521.db2.gz LWPAVFBGQQBCMT-GFCCVEGCSA-N 0 3 296.411 3.048 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H]2CCCCN(CC(=C)C)C2)cc1 ZINC001034419793 801026722 /nfs/dbraw/zinc/02/67/22/801026722.db2.gz RFHITWVDYXLWBR-GOSISDBHSA-N 0 3 298.430 3.490 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034520409 801031715 /nfs/dbraw/zinc/03/17/15/801031715.db2.gz WHSASAUOPBDIRO-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034547415 801033906 /nfs/dbraw/zinc/03/39/06/801033906.db2.gz QKCRJNZWAGCLSL-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001038557033 801129247 /nfs/dbraw/zinc/12/92/47/801129247.db2.gz ZAIAEUDLDIKNPU-INIZCTEOSA-N 0 3 298.430 3.253 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccsc1Cl ZINC001038772113 801134824 /nfs/dbraw/zinc/13/48/24/801134824.db2.gz FKJGDVXMTAPWGK-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001039068349 801146537 /nfs/dbraw/zinc/14/65/37/801146537.db2.gz SYHMQJPTXMIGTO-CQSZACIVSA-N 0 3 290.407 3.173 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 ZINC001042336746 801204612 /nfs/dbraw/zinc/20/46/12/801204612.db2.gz ZJLXYIJRVSVKHX-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C2CCC3(CC3)CC2)CC1 ZINC001045502982 801277383 /nfs/dbraw/zinc/27/73/83/801277383.db2.gz DTAUOMGFMYMIAE-UHFFFAOYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001046771331 801324499 /nfs/dbraw/zinc/32/44/99/801324499.db2.gz OTEVIJXIYQIXGU-IBGZPJMESA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046864422 801330156 /nfs/dbraw/zinc/33/01/56/801330156.db2.gz SNFMAFXFIVGRSQ-JMLCCBQJSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2sccc2C)CC[C@@H]1C ZINC001071315227 801526681 /nfs/dbraw/zinc/52/66/81/801526681.db2.gz UJUODKCIFNMEGU-KBPBESRZSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071491149 801540993 /nfs/dbraw/zinc/54/09/93/801540993.db2.gz XHRBQOSPJIECGB-RYUDHWBXSA-N 0 3 296.411 3.046 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(C(C)C)c3)[C@@H]2C1 ZINC001076427457 801617418 /nfs/dbraw/zinc/61/74/18/801617418.db2.gz ZQRRFWXSLRMMPS-ZWKOTPCHSA-N 0 3 298.430 3.142 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cscc1C ZINC001085535826 801690398 /nfs/dbraw/zinc/69/03/98/801690398.db2.gz QCKUDKYULZGXTL-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C)CC)C1 ZINC001088266680 801780481 /nfs/dbraw/zinc/78/04/81/801780481.db2.gz GUWBZWAHFFPDHN-TZMCWYRMSA-N 0 3 286.847 3.146 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(CC)s2)[C@H]1C ZINC001088714953 801804331 /nfs/dbraw/zinc/80/43/31/801804331.db2.gz LGJAGDFORQVYQD-OCCSQVGLSA-N 0 3 292.448 3.079 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@H]1C ZINC001088733369 801805143 /nfs/dbraw/zinc/80/51/43/801805143.db2.gz JFEVCMYCPVAUEI-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001098939754 801922838 /nfs/dbraw/zinc/92/28/38/801922838.db2.gz SVCIARDQAJLVDJ-QBOMHBFWSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001099001746 801923872 /nfs/dbraw/zinc/92/38/72/801923872.db2.gz WHSBOAFMTQLEQK-ZBFHGGJFSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001099213338 801933547 /nfs/dbraw/zinc/93/35/47/801933547.db2.gz CEGXEXSZZSUNBK-YJBOKZPZSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC=C ZINC001099250979 801934925 /nfs/dbraw/zinc/93/49/25/801934925.db2.gz DXGYYDHZGPEZIE-HNNXBMFYSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCCCC(=O)N[C@]12CCC[C@H]1CN(C[C@@H](F)CC)C2 ZINC001111859232 802170147 /nfs/dbraw/zinc/17/01/47/802170147.db2.gz VVFNXBDZSDYQML-ZOBUZTSGSA-N 0 3 296.430 3.062 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H](O)c2ccccc2)s1 ZINC001119260111 802640599 /nfs/dbraw/zinc/64/05/99/802640599.db2.gz YEBGDDWHRWWCFH-DLBZAZTESA-N 0 3 298.411 3.318 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120423441 802744954 /nfs/dbraw/zinc/74/49/54/802744954.db2.gz UOAFJZZQIZRENE-HOTGVXAUSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C(C)CCC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121179772 802813706 /nfs/dbraw/zinc/81/37/06/802813706.db2.gz GMEIYXORAIHTEB-UHFFFAOYSA-N 0 3 296.842 3.112 20 30 CGEDHN CC1(C)CC(=O)C=C(N[C@@H]2CCCN(C3CCCC3)C2)C1 ZINC001256903677 807005611 /nfs/dbraw/zinc/00/56/11/807005611.db2.gz CPPXOXMLMVPOMC-CQSZACIVSA-N 0 3 290.451 3.256 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CC1CCCC1 ZINC001123338115 802930660 /nfs/dbraw/zinc/93/06/60/802930660.db2.gz VITFLMLGVGSKBU-JSGCOSHPSA-N 0 3 273.380 3.296 20 30 CGEDHN C=C1CCC(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123381968 802939415 /nfs/dbraw/zinc/93/94/15/802939415.db2.gz NZJWURZCELIFES-LBPRGKRZSA-N 0 3 276.286 3.282 20 30 CGEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001131899948 803356095 /nfs/dbraw/zinc/35/60/95/803356095.db2.gz RGQWDKMGVXTCJH-WBVHZDCISA-N 0 3 286.419 3.122 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001132308492 803394205 /nfs/dbraw/zinc/39/42/05/803394205.db2.gz IUCLHRGRNXFUEO-CYBMUJFWSA-N 0 3 292.398 3.195 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001132653527 803424308 /nfs/dbraw/zinc/42/43/08/803424308.db2.gz NVTVPYBMAAWQEH-ZDUSSCGKSA-N 0 3 294.826 3.148 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCCNCc1cccc(Cl)c1 ZINC001132668063 803425856 /nfs/dbraw/zinc/42/58/56/803425856.db2.gz ZVJCJORZDVILAA-ZDUSSCGKSA-N 0 3 294.826 3.148 20 30 CGEDHN CC#CCNCCNC(=O)[C@H](CCC)CC1CCCCC1 ZINC001134679310 803551149 /nfs/dbraw/zinc/55/11/49/803551149.db2.gz DPMLPMIKVQVCBC-QGZVFWFLSA-N 0 3 292.467 3.102 20 30 CGEDHN CN(Cc1ccc(-c2cccc(C#N)c2F)nc1)C1CC1 ZINC001245067665 803629488 /nfs/dbraw/zinc/62/94/88/803629488.db2.gz BNEISXPOGZOMCE-UHFFFAOYSA-N 0 3 281.334 3.354 20 30 CGEDHN C=CCN(Cc1cnc2cc(C)ccn12)C(C)(C)C ZINC001136892712 803659156 /nfs/dbraw/zinc/65/91/56/803659156.db2.gz PLEMRSCWWOSAOQ-UHFFFAOYSA-N 0 3 257.381 3.429 20 30 CGEDHN N#CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001137115491 803684688 /nfs/dbraw/zinc/68/46/88/803684688.db2.gz QXKTWVLXOGDCRZ-OKILXGFUSA-N 0 3 292.329 3.066 20 30 CGEDHN C=CCc1cccc(C[N@H+](CC2CC2)C2CC2)c1[O-] ZINC001138629733 803985483 /nfs/dbraw/zinc/98/54/83/803985483.db2.gz HJGQWYXESCJVQB-UHFFFAOYSA-N 0 3 257.377 3.495 20 30 CGEDHN C=CCc1cccc(C[N@@H+](CC2CC2)C2CC2)c1[O-] ZINC001138629733 803985490 /nfs/dbraw/zinc/98/54/90/803985490.db2.gz HJGQWYXESCJVQB-UHFFFAOYSA-N 0 3 257.377 3.495 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@H]2OCC[C@H]2C1 ZINC001138664929 803997028 /nfs/dbraw/zinc/99/70/28/803997028.db2.gz AUYGBQOTDFTARS-FUHWJXTLSA-N 0 3 287.403 3.252 20 30 CGEDHN N#CC1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001140168188 804392841 /nfs/dbraw/zinc/39/28/41/804392841.db2.gz SYSQXCPKACSLQM-UHFFFAOYSA-N 0 3 277.371 3.484 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCC(F)(F)[C@@H](N)C1 ZINC001246584842 804428711 /nfs/dbraw/zinc/42/87/11/804428711.db2.gz VFIGWVUJDVBQNK-OLZOCXBDSA-N 0 3 262.388 3.404 20 30 CGEDHN CCN1CCN(Cc2cccc(C#N)c2Cl)C(C)(C)C1 ZINC001140814316 804526861 /nfs/dbraw/zinc/52/68/61/804526861.db2.gz HEVXIJSYMQKLIB-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN CSc1ncc(Cl)c(CNC2CCC(C#N)CC2)n1 ZINC001256959499 807016604 /nfs/dbraw/zinc/01/66/04/807016604.db2.gz HRFCZNMZSGXSOK-UHFFFAOYSA-N 0 3 296.827 3.024 20 30 CGEDHN CCc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001141224641 804614451 /nfs/dbraw/zinc/61/44/51/804614451.db2.gz GBKCOURXTWZLGS-OAHLLOKOSA-N 0 3 273.401 3.023 20 30 CGEDHN Cc1nc(C(F)(F)F)ccc1CN1CCC(S)CC1 ZINC001141432776 804641344 /nfs/dbraw/zinc/64/13/44/804641344.db2.gz LIGGENKGMWOEPJ-UHFFFAOYSA-N 0 3 290.354 3.303 20 30 CGEDHN CCCCCN(C)Cc1ccc(C#N)c(SC)n1 ZINC001141928990 804680354 /nfs/dbraw/zinc/68/03/54/804680354.db2.gz GUEGMFRFEYWURD-UHFFFAOYSA-N 0 3 263.410 3.297 20 30 CGEDHN N#Cc1cncc(CN2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001144083856 804935603 /nfs/dbraw/zinc/93/56/03/804935603.db2.gz SZTXMGKDHNGMQV-HNNXBMFYSA-N 0 3 273.355 3.057 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](Oc3cccc(C)n3)C2)cc1 ZINC001144580776 805011715 /nfs/dbraw/zinc/01/17/15/805011715.db2.gz JFJNUNROQWZZKT-GOSISDBHSA-N 0 3 292.382 3.025 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C2(C)CCCC2)CC1 ZINC001166444137 807045556 /nfs/dbraw/zinc/04/55/56/807045556.db2.gz WEXILVDRWJKCQB-UHFFFAOYSA-N 0 3 298.858 3.195 20 30 CGEDHN N#Cc1ccc2cc(CN3CC[C@]4(CC4(F)F)C3)[nH]c2c1 ZINC001249429285 805146261 /nfs/dbraw/zinc/14/62/61/805146261.db2.gz UXGBWGTXQDKRLO-HNNXBMFYSA-N 0 3 287.313 3.271 20 30 CGEDHN C=CCN(C)Cc1c(OC)cc(OC)c2ccccc21 ZINC001249445944 805152275 /nfs/dbraw/zinc/15/22/75/805152275.db2.gz XYMSXKKJKWQTQW-UHFFFAOYSA-N 0 3 271.360 3.475 20 30 CGEDHN C[C@@H](C#N)c1cccc(C(=O)Nc2cnccc2N(C)C)c1 ZINC001148609607 805199611 /nfs/dbraw/zinc/19/96/11/805199611.db2.gz GYOSJQHUWQRSNO-LBPRGKRZSA-N 0 3 294.358 3.027 20 30 CGEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CCCC[C@@H]2C)c1 ZINC001167072992 807143596 /nfs/dbraw/zinc/14/35/96/807143596.db2.gz WWZLWYGDXPCRGA-RDJZCZTQSA-N 0 3 298.430 3.365 20 30 CGEDHN Cc1nc2ccc(NCCc3ccc(C#N)cc3)cc2[nH]1 ZINC001167679412 807226395 /nfs/dbraw/zinc/22/63/95/807226395.db2.gz RJXZSBYXLBFXSQ-UHFFFAOYSA-N 0 3 276.343 3.398 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(C(C)=O)[C@H](C)C1 ZINC001258049207 807274921 /nfs/dbraw/zinc/27/49/21/807274921.db2.gz BNCIYVZLCQBSCT-HUUCEWRRSA-N 0 3 268.445 3.288 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(CCF)CC1 ZINC001258049949 807275446 /nfs/dbraw/zinc/27/54/46/807275446.db2.gz QKQUNQXJMUQJAO-OAHLLOKOSA-N 0 3 258.425 3.323 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(C(C)=O)C[C@@H]1C ZINC001258050386 807276859 /nfs/dbraw/zinc/27/68/59/807276859.db2.gz TXNVPBZFECTIMG-GJZGRUSLSA-N 0 3 268.445 3.288 20 30 CGEDHN C=C[C@@H](N[C@@H](C)CCC(=O)OCC)c1ccccc1 ZINC001258485375 807475824 /nfs/dbraw/zinc/47/58/24/807475824.db2.gz DGXVLIOBUORVKF-DZGCQCFKSA-N 0 3 261.365 3.235 20 30 CGEDHN C=CCC[C@@H](C)NCC(=O)c1ccc(F)cc1F ZINC001258718035 807567772 /nfs/dbraw/zinc/56/77/72/807567772.db2.gz CUEROBUAWSLOCE-SNVBAGLBSA-N 0 3 253.292 3.092 20 30 CGEDHN C=CCC[C@H](C)NCc1c(F)cc(OC)cc1F ZINC001258718044 807567927 /nfs/dbraw/zinc/56/79/27/807567927.db2.gz DESJWCOBSGHKMC-JTQLQIEISA-N 0 3 255.308 3.418 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(c2noc3ccccc32)CC1 ZINC001258725093 807573421 /nfs/dbraw/zinc/57/34/21/807573421.db2.gz HYDFUHKSTFRITB-CQSZACIVSA-N 0 3 285.391 3.305 20 30 CGEDHN C=CCC[C@H](C)N1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001258728935 807575991 /nfs/dbraw/zinc/57/59/91/807575991.db2.gz RJOAXUGXSVLZGF-KKUMJFAQSA-N 0 3 294.439 3.425 20 30 CGEDHN C=CCC[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC001258730061 807576198 /nfs/dbraw/zinc/57/61/98/807576198.db2.gz AEIMRXFEIMGUKU-AWEZNQCLSA-N 0 3 262.372 3.302 20 30 CGEDHN C=CCC[C@H](C)N1CCc2nc(Cl)ccc2C1 ZINC001258731650 807577788 /nfs/dbraw/zinc/57/77/88/807577788.db2.gz BPPYMHONXBGVJW-NSHDSACASA-N 0 3 250.773 3.448 20 30 CGEDHN C=CCC[C@@H](C)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC001258734601 807580595 /nfs/dbraw/zinc/58/05/95/807580595.db2.gz GIGONMFVIYGRPN-OLZOCXBDSA-N 0 3 253.386 3.147 20 30 CGEDHN C=CCC[C@H](C)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001258735576 807580989 /nfs/dbraw/zinc/58/09/89/807580989.db2.gz WULLFVKIBWLBKQ-ZDUSSCGKSA-N 0 3 279.815 3.212 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C(CC)(CC)CC ZINC001169313887 807626156 /nfs/dbraw/zinc/62/61/56/807626156.db2.gz KZQIXNMXRILACN-UHFFFAOYSA-N 0 3 274.836 3.051 20 30 CGEDHN N#CCOc1cccc(CN[C@H]2CCCc3ncccc32)c1 ZINC001261852386 807795340 /nfs/dbraw/zinc/79/53/40/807795340.db2.gz BFRREFGUTRBQKW-SFHVURJKSA-N 0 3 293.370 3.151 20 30 CGEDHN N#CC1(c2ccccc2)CCC(N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001170378797 807832284 /nfs/dbraw/zinc/83/22/84/807832284.db2.gz LNPCXZBARHQHIA-FXSDRFNOSA-N 0 3 296.414 3.254 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170419291 807838251 /nfs/dbraw/zinc/83/82/51/807838251.db2.gz FGIMJMHYNDJNLP-KGLIPLIRSA-N 0 3 274.364 3.018 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC001263085946 807931806 /nfs/dbraw/zinc/93/18/06/807931806.db2.gz OYCKPZUFDNEVNF-GOEBONIOSA-N 0 3 274.408 3.164 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1nccs1 ZINC001263101002 807933098 /nfs/dbraw/zinc/93/30/98/807933098.db2.gz FVSFFQQCCISQBI-CYBMUJFWSA-N 0 3 297.468 3.179 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001263173718 807937612 /nfs/dbraw/zinc/93/76/12/807937612.db2.gz IJFILNNLHVGITL-LBPRGKRZSA-N 0 3 286.297 3.385 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001263616376 807978464 /nfs/dbraw/zinc/97/84/64/807978464.db2.gz VMUBZMFBZVZONU-XHSDSOJGSA-N 0 3 293.370 3.191 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)CCC(C)(C)C ZINC001171153546 807999060 /nfs/dbraw/zinc/99/90/60/807999060.db2.gz SXJVQRBDWYVTTG-LBPRGKRZSA-N 0 3 288.863 3.297 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cnccc1Cl ZINC001171176629 808000538 /nfs/dbraw/zinc/00/05/38/808000538.db2.gz ULGDINKXOSNUTB-LBPRGKRZSA-N 0 3 285.778 3.327 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cccnc1Cl ZINC001171181503 808001868 /nfs/dbraw/zinc/00/18/68/808001868.db2.gz MDOFPSFGPKBYML-GFCCVEGCSA-N 0 3 285.778 3.327 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cccnc1Cl ZINC001171181504 808002070 /nfs/dbraw/zinc/00/20/70/808002070.db2.gz MDOFPSFGPKBYML-LBPRGKRZSA-N 0 3 285.778 3.327 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1[O-] ZINC001171230028 808014384 /nfs/dbraw/zinc/01/43/84/808014384.db2.gz RPTJKVFNUHQWGB-CQSZACIVSA-N 0 3 280.371 3.327 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC001171230028 808014386 /nfs/dbraw/zinc/01/43/86/808014386.db2.gz RPTJKVFNUHQWGB-CQSZACIVSA-N 0 3 280.371 3.327 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)[C@H]1C ZINC001264179142 808044578 /nfs/dbraw/zinc/04/45/78/808044578.db2.gz JSVXFJWYYXFSQK-ROEZOGTPSA-N 0 3 298.430 3.163 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463333 808066310 /nfs/dbraw/zinc/06/63/10/808066310.db2.gz QSGCRSMGURZUML-QWHCGFSZSA-N 0 3 264.319 3.104 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001265080238 808108492 /nfs/dbraw/zinc/10/84/92/808108492.db2.gz PAWJDZYWFVQRLW-DHDOUQCBSA-N 0 3 298.858 3.454 20 30 CGEDHN N#Cc1ccc2c(c1)CN([C@@H]1Cc3cccc(F)c3C1)CC2 ZINC001171793939 808141228 /nfs/dbraw/zinc/14/12/28/808141228.db2.gz NZOWMAGEKYEMGM-QGZVFWFLSA-N 0 3 292.357 3.223 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)Cc1ccc(C)cc1 ZINC001266312060 808239944 /nfs/dbraw/zinc/23/99/44/808239944.db2.gz QIVYTOXLTVMYAB-INIZCTEOSA-N 0 3 288.435 3.145 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCCF)C2)CCCCC1 ZINC001266361816 808247902 /nfs/dbraw/zinc/24/79/02/808247902.db2.gz SQDDFZLTKFQCGI-OAHLLOKOSA-N 0 3 296.430 3.063 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)CC ZINC001266496662 808277569 /nfs/dbraw/zinc/27/75/69/808277569.db2.gz VHPUTYCQOQTJDU-ZACQAIPSSA-N 0 3 292.467 3.454 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(C2(c3ccccc3)CC2)CC1 ZINC001172509937 808366873 /nfs/dbraw/zinc/36/68/73/808366873.db2.gz SRUFCJOFODHLOD-KRWDZBQOSA-N 0 3 297.446 3.376 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1cccc(C(C)C)c1 ZINC001267225582 808386595 /nfs/dbraw/zinc/38/65/95/808386595.db2.gz YGDRTCURIXJRGW-UHFFFAOYSA-N 0 3 274.408 3.048 20 30 CGEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCC1(C)C)c1ccccc1 ZINC001267518643 808437909 /nfs/dbraw/zinc/43/79/09/808437909.db2.gz BNGRESGNFYQJMV-JKSUJKDBSA-N 0 3 286.419 3.056 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)C2CCC2)C1 ZINC001267544861 808443940 /nfs/dbraw/zinc/44/39/40/808443940.db2.gz UXOQPAZTVDDJNH-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC1 ZINC001267705780 808473580 /nfs/dbraw/zinc/47/35/80/808473580.db2.gz NLBUJYZZLORPKJ-GJZGRUSLSA-N 0 3 278.440 3.042 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)/C=C(/C)CC)CCCC1 ZINC001267838030 808504278 /nfs/dbraw/zinc/50/42/78/808504278.db2.gz QVTWCTJVTAQAOB-XFXZXTDPSA-N 0 3 284.831 3.114 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001267937704 808518028 /nfs/dbraw/zinc/51/80/28/808518028.db2.gz SYPURAVQGLWQKQ-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CCC(=O)NCCC1CCN(C[C@@H](F)CC)CC1 ZINC001267943216 808518864 /nfs/dbraw/zinc/51/88/64/808518864.db2.gz FQWIZYXCMMQRBL-INIZCTEOSA-N 0 3 298.446 3.309 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001268244554 808568339 /nfs/dbraw/zinc/56/83/39/808568339.db2.gz DFOGZJIOISHZPK-MRXNPFEDSA-N 0 3 292.467 3.479 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](NC1CCC(CC#N)CC1)C(=O)N2 ZINC001173324323 808611566 /nfs/dbraw/zinc/61/15/66/808611566.db2.gz MGWQQWWKRPHWRJ-SEEARECTSA-N 0 3 283.375 3.050 20 30 CGEDHN N#CCC1CCC(NCC(=O)c2ccc(F)cc2)CC1 ZINC001173327679 808614705 /nfs/dbraw/zinc/61/47/05/808614705.db2.gz FNBGFCJOBZECKB-UHFFFAOYSA-N 0 3 274.339 3.070 20 30 CGEDHN Cc1ccccc1C1(NC2CCC(CC#N)CC2)COC1 ZINC001173333322 808617706 /nfs/dbraw/zinc/61/77/06/808617706.db2.gz GVBLVEHSBQECLN-UHFFFAOYSA-N 0 3 284.403 3.283 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001268935008 808636751 /nfs/dbraw/zinc/63/67/51/808636751.db2.gz NHIWWCGRVOUWHP-IRXDYDNUSA-N 0 3 288.435 3.128 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CC1 ZINC001268935250 808636853 /nfs/dbraw/zinc/63/68/53/808636853.db2.gz QRQNMBFQPFISGZ-XIRDDKMYSA-N 0 3 290.451 3.064 20 30 CGEDHN CC1(C#N)CCC(NCc2ncccc2Cl)CC1 ZINC001173586454 808645901 /nfs/dbraw/zinc/64/59/01/808645901.db2.gz RMJFXYVGLXUOAQ-UHFFFAOYSA-N 0 3 263.772 3.297 20 30 CGEDHN Cc1cccc2c1[C@H](NC1CCC(C)(C#N)CC1)C(=O)N2 ZINC001173584791 808646521 /nfs/dbraw/zinc/64/65/21/808646521.db2.gz MGEMKGNTZUCVQS-VXKCQOAXSA-N 0 3 283.375 3.050 20 30 CGEDHN CC1(C#N)CCC(N2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001173592652 808648800 /nfs/dbraw/zinc/64/88/00/808648800.db2.gz XLGMMBZHZBAGJC-GWUWNPHMSA-N 0 3 274.408 3.292 20 30 CGEDHN CC1(C#N)CCC(N[C@H](CO)c2cc(F)ccc2F)CC1 ZINC001173593843 808649533 /nfs/dbraw/zinc/64/95/33/808649533.db2.gz WREMAHQPONVFQX-DSSZZKGTSA-N 0 3 294.345 3.060 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001269337151 808671551 /nfs/dbraw/zinc/67/15/51/808671551.db2.gz HFCUQVBQHKARMC-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](CNC[C@@H](F)CC)C1CCCC1 ZINC001270421685 808730182 /nfs/dbraw/zinc/73/01/82/808730182.db2.gz HJOAUZSSBPRIGE-LSDHHAIUSA-N 0 3 298.446 3.211 20 30 CGEDHN C=Cc1ccc(C(=O)N(C)CCCNCC(=C)Cl)cc1 ZINC001276239340 808995468 /nfs/dbraw/zinc/99/54/68/808995468.db2.gz UEOVOEMBCJVZBY-UHFFFAOYSA-N 0 3 292.810 3.134 20 30 CGEDHN C=C1CC(C)(C(=O)NCC2(NCc3ccc(C)cc3)CC2)C1 ZINC001277169787 809061596 /nfs/dbraw/zinc/06/15/96/809061596.db2.gz DZHYJYBYQPFGKZ-UHFFFAOYSA-N 0 3 298.430 3.090 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001278094652 809115237 /nfs/dbraw/zinc/11/52/37/809115237.db2.gz LVZGKXJADPQFTE-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001278662664 809150796 /nfs/dbraw/zinc/15/07/96/809150796.db2.gz DPUHIBCTOZIVNY-QZTJIDSGSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@H]2CN(C[C@@H](F)CC)C[C@H]21 ZINC001279624568 809176332 /nfs/dbraw/zinc/17/63/32/809176332.db2.gz MCDGNUMDDMOETK-HRCADAONSA-N 0 3 296.430 3.014 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1CCC(C2CC2)CC1 ZINC001174957717 809215391 /nfs/dbraw/zinc/21/53/91/809215391.db2.gz LHZDSZPNAVZYPT-UHFFFAOYSA-N 0 3 298.858 3.051 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001281953458 809225254 /nfs/dbraw/zinc/22/52/54/809225254.db2.gz WBUYSDWGMUZDOR-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001282740980 809262048 /nfs/dbraw/zinc/26/20/48/809262048.db2.gz PTSMZVYRKJTBJA-DOTOQJQBSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)CCN(C(=O)CCCC(F)(F)F)C(C)C ZINC001284543433 809308827 /nfs/dbraw/zinc/30/88/27/809308827.db2.gz DHQKOFWGLOFRJK-UHFFFAOYSA-N 0 3 294.361 3.074 20 30 CGEDHN CCC1(CC)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001175897911 809565812 /nfs/dbraw/zinc/56/58/12/809565812.db2.gz GOJOPIMCKDQZJN-UHFFFAOYSA-N 0 3 285.391 3.151 20 30 CGEDHN C=CCSCCNCc1ccc(OC(F)F)cc1F ZINC001178454464 809868690 /nfs/dbraw/zinc/86/86/90/809868690.db2.gz SDVCATLKTUMJMB-UHFFFAOYSA-N 0 3 291.338 3.436 20 30 CGEDHN Cc1cc(F)ccc1CNCc1ccc(CC#N)cc1 ZINC001179027967 809900713 /nfs/dbraw/zinc/90/07/13/809900713.db2.gz FWWNICDFSSLXPZ-UHFFFAOYSA-N 0 3 268.335 3.490 20 30 CGEDHN C#CCC1(O)CCN(C/C=C/c2c(C)cc(C)cc2C)CC1 ZINC001183497823 810150611 /nfs/dbraw/zinc/15/06/11/810150611.db2.gz CACCYWDXWTYFSV-VOTSOKGWSA-N 0 3 297.442 3.475 20 30 CGEDHN C=C1CC(C)(C(=O)N(C2CCCC2)C2CCN(C)CC2)C1 ZINC001184788001 810219700 /nfs/dbraw/zinc/21/97/00/810219700.db2.gz YWQIXYFCSWIPAE-UHFFFAOYSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189230339 810550089 /nfs/dbraw/zinc/55/00/89/810550089.db2.gz MUTRFANYTIBYJZ-HRCADAONSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)CCCCC)[C@@H]2C1 ZINC001189343034 810561101 /nfs/dbraw/zinc/56/11/01/810561101.db2.gz YMSSOWQYLOWBNR-IXDOHACOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N(CC)CC(F)(F)F ZINC001191133955 810682026 /nfs/dbraw/zinc/68/20/26/810682026.db2.gz VPEZJHYXRQWQBC-UHFFFAOYSA-N 0 3 294.361 3.075 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001191902060 810756397 /nfs/dbraw/zinc/75/63/97/810756397.db2.gz MAZHCBKJIZQWDB-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(Cl)cc1Cl)CC1CC1 ZINC001192305213 810785446 /nfs/dbraw/zinc/78/54/46/810785446.db2.gz WPIOAJUFTPVWEL-OAHLLOKOSA-N 0 3 298.213 3.372 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC001192326974 810787953 /nfs/dbraw/zinc/78/79/53/810787953.db2.gz VZSKYTUCAGWOAZ-DBEXCURXSA-N 0 3 298.430 3.199 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](CC)c1ccc(C)c(F)c1 ZINC001192910399 810825966 /nfs/dbraw/zinc/82/59/66/810825966.db2.gz SMVDZQVVSZCFFX-CABCVRRESA-N 0 3 251.345 3.112 20 30 CGEDHN CCCN(CCCC(C)(C)C#N)[C@H](CC)C(=O)OCC ZINC001193364523 810878890 /nfs/dbraw/zinc/87/88/90/810878890.db2.gz MDLGUALUBUEQPV-CQSZACIVSA-N 0 3 282.428 3.370 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193432069 810888377 /nfs/dbraw/zinc/88/83/77/810888377.db2.gz GSDMWCKGKLXFKZ-CABCVRRESA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001194606059 811093481 /nfs/dbraw/zinc/09/34/81/811093481.db2.gz HEBCRLFGTBUYCT-QWNKOJSDSA-N 0 3 298.430 3.117 20 30 CGEDHN C=CCCC(=O)N1CCCN([C@H](C)c2ccccc2)CC1 ZINC001195233331 811229908 /nfs/dbraw/zinc/22/99/08/811229908.db2.gz SLENMOSXWGHPEY-MRXNPFEDSA-N 0 3 286.419 3.248 20 30 CGEDHN C=CCN(Cc1ccc(Br)cc1)[C@@H](C)COC ZINC001196047681 811313378 /nfs/dbraw/zinc/31/33/78/811313378.db2.gz BHQSFNJLPYHECI-LBPRGKRZSA-N 0 3 298.224 3.472 20 30 CGEDHN C#CCCCCCC(=O)N1CCCN(CC=C(C)C)CC1 ZINC001196753945 811361983 /nfs/dbraw/zinc/36/19/83/811361983.db2.gz PCPJRIZOBJZWDK-UHFFFAOYSA-N 0 3 290.451 3.071 20 30 CGEDHN CC(C)CCCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC001197042007 811393993 /nfs/dbraw/zinc/39/39/93/811393993.db2.gz VERCYZHPUFOVIO-UHFFFAOYSA-N 0 3 289.398 3.256 20 30 CGEDHN C[C@@H]1Cc2n[nH]cc2CN(CCC2(C#N)CCCCC2)C1 ZINC001197785305 811452661 /nfs/dbraw/zinc/45/26/61/811452661.db2.gz CNPMJRDZECYULW-CQSZACIVSA-N 0 3 286.423 3.268 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CCN1C1CCCC1 ZINC001197796440 811454468 /nfs/dbraw/zinc/45/44/68/811454468.db2.gz DNOHSVNBWKRNSL-ZDUSSCGKSA-N 0 3 289.448 3.068 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001197842636 811457513 /nfs/dbraw/zinc/45/75/13/811457513.db2.gz LCVYAWMWAARAAC-INIZCTEOSA-N 0 3 292.467 3.006 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001197842638 811457679 /nfs/dbraw/zinc/45/76/79/811457679.db2.gz LCVYAWMWAARAAC-MRXNPFEDSA-N 0 3 292.467 3.006 20 30 CGEDHN C#CCN(CCC(=O)OC(C)C)[C@H]1CCCc2ccccc21 ZINC001198103874 811477106 /nfs/dbraw/zinc/47/71/06/811477106.db2.gz KPMYRMDSPGKCTA-SFHVURJKSA-N 0 3 299.414 3.341 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(CC=C)CCCC2)CC1 ZINC001198422538 811501155 /nfs/dbraw/zinc/50/11/55/811501155.db2.gz AZTGYKJLFDRSHP-UHFFFAOYSA-N 0 3 290.451 3.233 20 30 CGEDHN CCCCCCCCCCN1CCN(CCCO)CC1 ZINC001201852774 811973200 /nfs/dbraw/zinc/97/32/00/811973200.db2.gz LAIUMAIYZBQSSF-UHFFFAOYSA-N 0 3 284.488 3.127 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccccc1Cl ZINC001202069801 812010553 /nfs/dbraw/zinc/01/05/53/812010553.db2.gz CTWXAJRZAVEWED-LBPRGKRZSA-N 0 3 293.798 3.112 20 30 CGEDHN Cc1ccc(CNCc2ccc3[nH]cnc3c2)cc1C#N ZINC001203639750 812414067 /nfs/dbraw/zinc/41/40/67/812414067.db2.gz QIHCDSHBJJJNIV-UHFFFAOYSA-N 0 3 276.343 3.033 20 30 CGEDHN Cc1ccc(C)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001203743154 812449429 /nfs/dbraw/zinc/44/94/29/812449429.db2.gz MZOPPGKLNZODNT-OAHLLOKOSA-N 0 3 273.401 3.078 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2)CCC1(F)F ZINC001203900283 812485878 /nfs/dbraw/zinc/48/58/78/812485878.db2.gz YCLYJQUMECPLFE-GFCCVEGCSA-N 0 3 264.319 3.425 20 30 CGEDHN C[NH+](C)Cc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001204642966 812699121 /nfs/dbraw/zinc/69/91/21/812699121.db2.gz WGNBRBRUJKMEMQ-VCHYOVAHSA-N 0 3 272.323 3.362 20 30 CGEDHN C#CCCN(CCOC)Cc1cc(C)cc(Cl)c1 ZINC001206779415 813435423 /nfs/dbraw/zinc/43/54/23/813435423.db2.gz GQUBGMUKGRUWHV-UHFFFAOYSA-N 0 3 265.784 3.120 20 30 CGEDHN CCCCC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC001207104124 813486802 /nfs/dbraw/zinc/48/68/02/813486802.db2.gz KTOAVHYWHVKVGV-UHFFFAOYSA-N 0 3 259.397 3.299 20 30 CGEDHN N#Cc1c(F)cccc1CNCC1(CC2CC2)CC1 ZINC001207348581 813546318 /nfs/dbraw/zinc/54/63/18/813546318.db2.gz PZVVQSZXTDSEEU-UHFFFAOYSA-N 0 3 258.340 3.367 20 30 CGEDHN CCCCCCC/C=C/CN1CCC2(COC(=O)N2)CC1 ZINC001208124706 813697545 /nfs/dbraw/zinc/69/75/45/813697545.db2.gz ZDNRASJORFYFED-CMDGGOBGSA-N 0 3 294.439 3.478 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCC(C(=O)OC)CC2)CC1 ZINC001208170613 813724232 /nfs/dbraw/zinc/72/42/32/813724232.db2.gz IOXIGWDBISFPCW-OAHLLOKOSA-N 0 3 277.408 3.174 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(CCC)CCC)C1 ZINC001208438401 813761342 /nfs/dbraw/zinc/76/13/42/813761342.db2.gz SYKDGMSCIJYVSA-GDBMZVCRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCOC[C@@H]1CCC[C@@]12CN(CC/C=C\CC)CCO2 ZINC001208728267 813817339 /nfs/dbraw/zinc/81/73/39/813817339.db2.gz PCSBGJLWVCPMKB-FDICQLOXSA-N 0 3 293.451 3.416 20 30 CGEDHN C=CCOCc1ncn2c1CN(CCCC(C)C)CCC2 ZINC001208735096 813825431 /nfs/dbraw/zinc/82/54/31/813825431.db2.gz SNNRPPLJWGCZNJ-UHFFFAOYSA-N 0 3 291.439 3.228 20 30 CGEDHN N#Cc1cccc(CCCN2CC3(C2)C[C@@H](F)CS3)c1 ZINC001208850549 813865593 /nfs/dbraw/zinc/86/55/93/813865593.db2.gz DGBODZKTBPZGSU-OAHLLOKOSA-N 0 3 290.407 3.020 20 30 CGEDHN C=CCCCCN1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC001209200169 813965214 /nfs/dbraw/zinc/96/52/14/813965214.db2.gz CVIHHHJNPUDYTH-UHFFFAOYSA-N 0 3 294.439 3.286 20 30 CGEDHN C=CCCCCN1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001209204822 813966005 /nfs/dbraw/zinc/96/60/05/813966005.db2.gz KFINZQCHDHGMKH-UHFFFAOYSA-N 0 3 294.439 3.428 20 30 CGEDHN C[C@@H]1C[C@H]1CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209429434 814030308 /nfs/dbraw/zinc/03/03/08/814030308.db2.gz XBIFSJCZVDRNKU-KGLIPLIRSA-N 0 3 272.367 3.339 20 30 CGEDHN C=CCCCCCCCCN1CCN(CCOC)CC1 ZINC001209443210 814042598 /nfs/dbraw/zinc/04/25/98/814042598.db2.gz PCAKNYBPIJQIDJ-UHFFFAOYSA-N 0 3 282.472 3.167 20 30 CGEDHN C=CCCCCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC001209443160 814043774 /nfs/dbraw/zinc/04/37/74/814043774.db2.gz NLRKPZROLIVPOX-GOSISDBHSA-N 0 3 294.483 3.310 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(Nc3cncc(C#N)c3)cccc21 ZINC001210091895 814282532 /nfs/dbraw/zinc/28/25/32/814282532.db2.gz SEYLAMDNXJOZGC-MRXNPFEDSA-N 0 3 294.358 3.082 20 30 CGEDHN F[C@H]1CNC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217775421 815959447 /nfs/dbraw/zinc/95/94/47/815959447.db2.gz CLHVEOUYDVNQTL-OQSOEKIESA-N 0 3 284.334 3.091 20 30 CGEDHN Cc1ccccc1[C@H](O[C@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC001217830070 815971823 /nfs/dbraw/zinc/97/18/23/815971823.db2.gz COAAWERDZHNPPD-YTQUADARSA-N 0 3 292.382 3.213 20 30 CGEDHN N#C[C@@H]1CNC[C@H]1OCc1ccccc1Oc1ccccc1 ZINC001217832061 815972562 /nfs/dbraw/zinc/97/25/62/815972562.db2.gz MLURVMZBRUMPIG-CRAIPNDOSA-N 0 3 294.354 3.107 20 30 CGEDHN CCCCCCC[C@H](CC)OC[C@@H]1CNCCO1 ZINC001217890606 815991434 /nfs/dbraw/zinc/99/14/34/815991434.db2.gz JOQOLQJGOXKRKI-GJZGRUSLSA-N 0 3 257.418 3.131 20 30 CGEDHN CC(C)(C)c1cccc(C#N)c1O[C@H]1CNCCC1(F)F ZINC001218454180 816221713 /nfs/dbraw/zinc/22/17/13/816221713.db2.gz OSCCOQNUVHJKPS-ZDUSSCGKSA-N 0 3 294.345 3.232 20 30 CGEDHN CC#CCN1CCC(CNC(=O)[C@H](CC)CCCC)CC1 ZINC001222450119 816447110 /nfs/dbraw/zinc/44/71/10/816447110.db2.gz ADNNBYDCXOQYRE-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCCCCC[C@@H](C)OCCN1CCN(C)CC1 ZINC001224548347 816827222 /nfs/dbraw/zinc/82/72/22/816827222.db2.gz AGWWGVJOWWSFJN-QGZVFWFLSA-N 0 3 282.472 3.166 20 30 CGEDHN CC#CCN1CCC(CNC(=O)CCCCC(C)C)CC1 ZINC001224904570 816906586 /nfs/dbraw/zinc/90/65/86/816906586.db2.gz QTTOSNWDBBQQLF-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CN3CCC2CC3)cc1C(F)(F)F ZINC001226141104 817284557 /nfs/dbraw/zinc/28/45/57/817284557.db2.gz SDHFXIZVGAANIP-CQSZACIVSA-N 0 3 296.292 3.050 20 30 CGEDHN CCN1CC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226999121 817530603 /nfs/dbraw/zinc/53/06/03/817530603.db2.gz HNCUJEBZMOPPHA-LBPRGKRZSA-N 0 3 284.281 3.050 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)cc1Cl ZINC001231420645 818094219 /nfs/dbraw/zinc/09/42/19/818094219.db2.gz CAXARLIJLQITOW-AWEZNQCLSA-N 0 3 293.819 3.423 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@]3(CCO3)C2)c1 ZINC001231625269 818141100 /nfs/dbraw/zinc/14/11/00/818141100.db2.gz RJQWTPSEIMTHJJ-QGZVFWFLSA-N 0 3 273.376 3.006 20 30 CGEDHN C#Cc1cccc(CN(CC)Cc2ccncc2)c1 ZINC001231656515 818151012 /nfs/dbraw/zinc/15/10/12/818151012.db2.gz NETVOGDASTYVPW-UHFFFAOYSA-N 0 3 250.345 3.085 20 30 CGEDHN N#CCN(Cc1cc2c[nH]ccc-2n1)Cc1ccccc1 ZINC001232016555 818235796 /nfs/dbraw/zinc/23/57/96/818235796.db2.gz ZCJWDCURGNCUOG-UHFFFAOYSA-N 0 3 276.343 3.089 20 30 CGEDHN N#CCN(Cc1cc2cnccc2[nH]1)Cc1ccccc1 ZINC001232016555 818235802 /nfs/dbraw/zinc/23/58/02/818235802.db2.gz ZCJWDCURGNCUOG-UHFFFAOYSA-N 0 3 276.343 3.089 20 30 CGEDHN N#Cc1ccc(CN2CC[C@]3(C2)CCCOC3)cc1Cl ZINC001232117331 818259949 /nfs/dbraw/zinc/25/99/49/818259949.db2.gz YDBBBONPUHWBPB-INIZCTEOSA-N 0 3 290.794 3.214 20 30 CGEDHN C=CCN(Cc1cc(C#N)ccn1)C1CCCCC1 ZINC001232480861 818364024 /nfs/dbraw/zinc/36/40/24/818364024.db2.gz AWCQQEPYKLUYJU-UHFFFAOYSA-N 0 3 255.365 3.274 20 30 CGEDHN C#CC1CCN(Cc2ccc3ncsc3c2)CC1 ZINC001232744621 818431961 /nfs/dbraw/zinc/43/19/61/818431961.db2.gz SDEFIQXVIDLKIE-UHFFFAOYSA-N 0 3 256.374 3.142 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001233080051 818519864 /nfs/dbraw/zinc/51/98/64/818519864.db2.gz CBBKUWRAXSVSGF-AWEZNQCLSA-N 0 3 282.309 3.436 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)C[C@H]1Cc2ccccc2O1 ZINC001233084384 818521547 /nfs/dbraw/zinc/52/15/47/818521547.db2.gz UAGJUKZUUWQRAU-GOSISDBHSA-N 0 3 292.382 3.302 20 30 CGEDHN Cc1nnc(-c2ccc(CN3CCC[C@H](CC#N)C3)cc2)o1 ZINC001235052738 818992427 /nfs/dbraw/zinc/99/24/27/818992427.db2.gz UUGAXCFBXVTWLR-CQSZACIVSA-N 0 3 296.374 3.171 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235193650 819032412 /nfs/dbraw/zinc/03/24/12/819032412.db2.gz SNGOVAZMRCDHHX-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCN(Cc2ccccc2-c2ccncc2)CC1 ZINC001235615230 819126669 /nfs/dbraw/zinc/12/66/69/819126669.db2.gz AVSRWRLAGMEODO-UHFFFAOYSA-N 0 3 293.414 3.052 20 30 CGEDHN N#CCC1CCN(Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237450312 819751571 /nfs/dbraw/zinc/75/15/71/819751571.db2.gz JZRCVWZSVBKDDK-UHFFFAOYSA-N 0 3 288.782 3.342 20 30 CGEDHN N#Cc1cc(CN2CCCC3(CC(F)C3)CC2)ccn1 ZINC001237461885 819758089 /nfs/dbraw/zinc/75/80/89/819758089.db2.gz BPEBYAVRKQZMBA-UHFFFAOYSA-N 0 3 273.355 3.057 20 30 CGEDHN CCc1cc(CN(CCO)Cc2ccccc2)ccc1C#N ZINC001238762099 820110836 /nfs/dbraw/zinc/11/08/36/820110836.db2.gz AJUBVUNOYPIMKE-UHFFFAOYSA-N 0 3 294.398 3.115 20 30 CGEDHN CCCCCCCCCNC(=S)N1[C@H](C)CNC[C@@H]1C ZINC001239416128 820300496 /nfs/dbraw/zinc/30/04/96/820300496.db2.gz GSTGNQCOHXHKFV-GASCZTMLSA-N 0 3 299.528 3.294 20 30 CGEDHN C[NH+](C)Cc1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001239684055 820520378 /nfs/dbraw/zinc/52/03/78/820520378.db2.gz NREXQEJIQBZFOV-VCHYOVAHSA-N 0 3 272.323 3.362 20 30 CGEDHN N#CCc1ccnc(C2=CCN(Cc3ccccc3)CC2)c1 ZINC001241501965 821904486 /nfs/dbraw/zinc/90/44/86/821904486.db2.gz JLAKARKELPHNQT-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN Cc1cc(-c2cncc(CN3CCCCC3)c2)cnc1C#N ZINC001242358606 822965443 /nfs/dbraw/zinc/96/54/43/822965443.db2.gz LPKPWUMSZLEJPA-UHFFFAOYSA-N 0 3 292.386 3.310 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2ccsc2)CC1 ZINC001340368234 936404150 /nfs/dbraw/zinc/40/41/50/936404150.db2.gz QLZQQHOMPBLHPJ-OAHLLOKOSA-N 0 3 292.448 3.138 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@@H](C)Cc1ccsc1 ZINC001341069120 936426643 /nfs/dbraw/zinc/42/66/43/936426643.db2.gz BHOBAPYZIFCYJM-DZGCQCFKSA-N 0 3 294.464 3.211 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1Cc2ccccc2[C@H]1CC ZINC001341574518 936442882 /nfs/dbraw/zinc/44/28/82/936442882.db2.gz MRURGIHJIFLWRG-HZPDHXFCSA-N 0 3 272.392 3.164 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1Cc2ccccc2[C@@H]1CC ZINC001341574514 936442979 /nfs/dbraw/zinc/44/29/79/936442979.db2.gz MRURGIHJIFLWRG-CVEARBPZSA-N 0 3 272.392 3.164 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cccc3c2CCOC3)n1 ZINC001341724754 936449003 /nfs/dbraw/zinc/44/90/03/936449003.db2.gz OPKNIVQMBAZECK-AWEZNQCLSA-N 0 3 298.367 3.014 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCCCC12CCCC2 ZINC001342738938 936477825 /nfs/dbraw/zinc/47/78/25/936477825.db2.gz OJKRBDCICYLTJT-GJZGRUSLSA-N 0 3 291.439 3.017 20 30 CGEDHN COC1(C(=O)C(C#N)c2cccc(F)n2)CCCCCC1 ZINC001342882865 936482383 /nfs/dbraw/zinc/48/23/83/936482383.db2.gz XZBKSTYVFAFUPF-GFCCVEGCSA-N 0 3 290.338 3.136 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(C)s1 ZINC001344875167 936547888 /nfs/dbraw/zinc/54/78/88/936547888.db2.gz NLWQJFYOJLRBIG-CYBMUJFWSA-N 0 3 287.388 3.082 20 30 CGEDHN CCn1cccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001345071743 936799828 /nfs/dbraw/zinc/79/98/28/936799828.db2.gz RIMCVTFPRONGEY-NSHDSACASA-N 0 3 285.372 3.332 20 30 CGEDHN CC(C)[C@]1(C)C[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001350352544 936988648 /nfs/dbraw/zinc/98/86/48/936988648.db2.gz FCVIMDOFHUKDPT-ZETOZRRWSA-N 0 3 278.302 3.218 20 30 CGEDHN COC[C@@H](NCC1CCC(C#N)CC1)c1ccc(C)o1 ZINC001354595391 937107205 /nfs/dbraw/zinc/10/72/05/937107205.db2.gz SUEJAKLZOYQTLK-YMAMQOFZSA-N 0 3 276.380 3.195 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCN(CC=C(C)C)C1CC1 ZINC001493373848 927019133 /nfs/dbraw/zinc/01/91/33/927019133.db2.gz PPWIVTLQYIMESP-UHFFFAOYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CC(C)(C)C ZINC001481677702 927053703 /nfs/dbraw/zinc/05/37/03/927053703.db2.gz JRWCYCDVXURRRO-JYJNAYRXSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1c(F)cccc1NC1CC1 ZINC001357490550 937173496 /nfs/dbraw/zinc/17/34/96/937173496.db2.gz GEKFKFJAZSWTAA-ZDUSSCGKSA-N 0 3 291.370 3.022 20 30 CGEDHN C=CCCCC(=O)N1C[C@H](NCc2ccsc2)C[C@@H]1C ZINC001486121578 927986813 /nfs/dbraw/zinc/98/68/13/927986813.db2.gz MDAIGOQJILUCDF-DZGCQCFKSA-N 0 3 292.448 3.183 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)/C=C/c1ccco1)C(C)C ZINC001486361970 928008893 /nfs/dbraw/zinc/00/88/93/928008893.db2.gz ZKMXOKSGAFAYHT-CMDGGOBGSA-N 0 3 290.407 3.038 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001494576480 928060249 /nfs/dbraw/zinc/06/02/49/928060249.db2.gz FXUKXWQMFRBFIZ-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN C#CCN1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000217572779 928157368 /nfs/dbraw/zinc/15/73/68/928157368.db2.gz HKZJMOHRFLUTNJ-UHFFFAOYSA-N 0 3 283.293 3.398 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001488649179 928287657 /nfs/dbraw/zinc/28/76/57/928287657.db2.gz XQDPXVDMOPHVRT-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001490579563 928374329 /nfs/dbraw/zinc/37/43/29/928374329.db2.gz FTWFFFJYVXBZHE-HZPDHXFCSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001449211389 937378936 /nfs/dbraw/zinc/37/89/36/937378936.db2.gz IQRREXFEIDEYBO-UHFFFAOYSA-N 0 3 268.445 3.217 20 30 CGEDHN C[C@@H](c1ccco1)N(C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459722249 937497828 /nfs/dbraw/zinc/49/78/28/937497828.db2.gz YEIDZWRMXKKQGH-GUYCJALGSA-N 0 3 296.370 3.410 20 30 CGEDHN CN(Cc1cc(C#N)ccn1)CC1(c2ccccc2)CC1 ZINC001459951380 937508083 /nfs/dbraw/zinc/50/80/83/937508083.db2.gz BKAXASIWVDBXAJ-UHFFFAOYSA-N 0 3 277.371 3.117 20 30 CGEDHN C#C[C@H](NC[C@@H]1CCC[C@@H](c2ccccc2)O1)[C@H]1CCCO1 ZINC001459988813 937510386 /nfs/dbraw/zinc/51/03/86/937510386.db2.gz KENPIODOJXWSJN-CADBVGFASA-N 0 3 299.414 3.067 20 30 CGEDHN C=CCCCN(CC)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC001460899945 937552020 /nfs/dbraw/zinc/55/20/20/937552020.db2.gz LKPXLEVXYDVRBZ-QGZVFWFLSA-N 0 3 286.419 3.294 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc3c(c2)CCC3)cc1 ZINC000236693788 931971621 /nfs/dbraw/zinc/97/16/21/931971621.db2.gz KJFADLINVJSYJE-UHFFFAOYSA-N 0 3 291.394 3.477 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001330068605 932033831 /nfs/dbraw/zinc/03/38/31/932033831.db2.gz BAYXOXDEWHMSFP-GDBMZVCRSA-N 0 3 294.483 3.461 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001230757919 932620803 /nfs/dbraw/zinc/62/08/03/932620803.db2.gz CYXITQQPZCOWAI-INIZCTEOSA-N 0 3 292.423 3.396 20 30 CGEDHN Cc1cccnc1[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC001254642826 932724478 /nfs/dbraw/zinc/72/44/78/932724478.db2.gz LDYFCKFADPTVLG-JGGQBBKZSA-N 0 3 255.365 3.123 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2CCCCC)C1 ZINC001316601398 932745588 /nfs/dbraw/zinc/74/55/88/932745588.db2.gz CACZXNAKSYBNAP-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)c2ccc(CN(C)C)cc2)c1 ZINC001306857195 932763547 /nfs/dbraw/zinc/76/35/47/932763547.db2.gz ZHBOHBOWMSVHJI-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN N#CC1(CCN2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC1 ZINC001307598283 932974640 /nfs/dbraw/zinc/97/46/40/932974640.db2.gz VTCPQZNNRJMMRJ-OLZOCXBDSA-N 0 3 268.351 3.438 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1c[nH]c(=O)c2ccccc12 ZINC001307732496 932993314 /nfs/dbraw/zinc/99/33/14/932993314.db2.gz OJYRSTYWBLIDFL-AWEZNQCLSA-N 0 3 268.360 3.481 20 30 CGEDHN C#Cc1ccc(CN2CCO[C@H](C(C)(C)C)CC2)cc1 ZINC001308984979 933223061 /nfs/dbraw/zinc/22/30/61/933223061.db2.gz UIGNHFPSGPVWJO-KRWDZBQOSA-N 0 3 271.404 3.305 20 30 CGEDHN C#CCN(CCCNC(=O)c1ccc(C(C)C)cc1)C1CC1 ZINC001316927689 933497366 /nfs/dbraw/zinc/49/73/66/933497366.db2.gz ULHKBBMSVQORGZ-UHFFFAOYSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001317038234 933518165 /nfs/dbraw/zinc/51/81/65/933518165.db2.gz HAENBLQYQYISCZ-KGXGESDWSA-N 0 3 298.858 3.122 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1 ZINC001317038237 933519745 /nfs/dbraw/zinc/51/97/45/933519745.db2.gz HAENBLQYQYISCZ-RCQQVGEISA-N 0 3 298.858 3.122 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@H](CN(C)C[C@H](F)CC)C1 ZINC001317037473 933519830 /nfs/dbraw/zinc/51/98/30/933519830.db2.gz SYCGRJAIXHJZOA-HZPDHXFCSA-N 0 3 298.446 3.261 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)/C=C(\C)CC ZINC001317422289 933590556 /nfs/dbraw/zinc/59/05/56/933590556.db2.gz SBBMZXJZLXCNBS-HFBDAHEESA-N 0 3 298.858 3.456 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCN(CC=C(C)C)C1CC1 ZINC001317557235 933619781 /nfs/dbraw/zinc/61/97/81/933619781.db2.gz YAGCXAJGMWXANU-QGZVFWFLSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)C(=C)C)c1ccccc1 ZINC001317722167 933638436 /nfs/dbraw/zinc/63/84/36/933638436.db2.gz NOIJOZVXDHMSKN-INIZCTEOSA-N 0 3 286.419 3.222 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001318205669 933693429 /nfs/dbraw/zinc/69/34/29/933693429.db2.gz KFGOKYRPVJLJMF-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C1=CCCC1 ZINC001319738682 933923324 /nfs/dbraw/zinc/92/33/24/933923324.db2.gz CYNSBMWOSIRZBI-HNNXBMFYSA-N 0 3 296.842 3.210 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@H]1C=CCCC1)C(C)C ZINC001319922254 933958819 /nfs/dbraw/zinc/95/88/19/933958819.db2.gz LXJXQYLMWYSMGP-LSDHHAIUSA-N 0 3 298.858 3.216 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC001320085183 933994396 /nfs/dbraw/zinc/99/43/96/933994396.db2.gz DPSGMAJPYGDMQT-KRWDZBQOSA-N 0 3 297.402 3.162 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001320305644 934028215 /nfs/dbraw/zinc/02/82/15/934028215.db2.gz BMXSERXMOPKSSB-TZMCWYRMSA-N 0 3 251.757 3.118 20 30 CGEDHN C=C[C@H](COC)NCc1cccc(OC2CCCC2)c1 ZINC001320584990 934069596 /nfs/dbraw/zinc/06/95/96/934069596.db2.gz YNWBINZSENDHPO-OAHLLOKOSA-N 0 3 275.392 3.299 20 30 CGEDHN CC#CCNCCN(CC)C(=O)CCC1CCCCCC1 ZINC001320798487 934105718 /nfs/dbraw/zinc/10/57/18/934105718.db2.gz JKYOKBLEGIUHLU-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CC[C@H](OC)C1 ZINC001321769199 934210571 /nfs/dbraw/zinc/21/05/71/934210571.db2.gz DOGRIPMBBPBLEK-OLZOCXBDSA-N 0 3 293.794 3.009 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001322852612 934341653 /nfs/dbraw/zinc/34/16/53/934341653.db2.gz SKJYONWVVXBROX-NRXISQOPSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc3occc3c2)C1 ZINC001323965336 934442837 /nfs/dbraw/zinc/44/28/37/934442837.db2.gz NSRRRSYLRQXYNV-OAHLLOKOSA-N 0 3 257.333 3.210 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001324656964 934543267 /nfs/dbraw/zinc/54/32/67/934543267.db2.gz OXYQPKAUNBYVRE-FUHWJXTLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(C2CCC2)C1=O ZINC001473162091 937795200 /nfs/dbraw/zinc/79/52/00/937795200.db2.gz BRWRYVZSZSEVFD-KRWDZBQOSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CCC)C(C)C ZINC001325925392 934939560 /nfs/dbraw/zinc/93/95/60/934939560.db2.gz ZRWZHWZCHGKBKO-IXDOHACOSA-N 0 3 292.467 3.310 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2CC(C)C2)cc1 ZINC001326468445 934982498 /nfs/dbraw/zinc/98/24/98/934982498.db2.gz MNYLEDNFQZYRQK-CSLYMUCUSA-N 0 3 298.430 3.023 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](CC)CC1CCCC1 ZINC001329573938 935229335 /nfs/dbraw/zinc/22/93/35/935229335.db2.gz NVTQTOFMZFVQII-GOEBONIOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001330244482 935280398 /nfs/dbraw/zinc/28/03/98/935280398.db2.gz MHDHZWSJWIBRDC-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC(C)C)C[C@@H]2C1 ZINC001330447239 935288088 /nfs/dbraw/zinc/28/80/88/935288088.db2.gz SADSNXNEQASNOQ-ZNMIVQPWSA-N 0 3 298.858 3.002 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1cc(C)on1 ZINC001335316524 936138835 /nfs/dbraw/zinc/13/88/35/936138835.db2.gz HJHTYAXTCQHWDG-OAHLLOKOSA-N 0 3 295.427 3.019 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001335919944 936167387 /nfs/dbraw/zinc/16/73/87/936167387.db2.gz KTPGIJDZLFEBSY-RDJZCZTQSA-N 0 3 286.419 3.122 20 30 CGEDHN N#Cc1cc(CNC[C@@H](O)c2ccc(Cl)cc2)cs1 ZINC001474160701 937842234 /nfs/dbraw/zinc/84/22/34/937842234.db2.gz NUCMXDRBCIRNTM-CQSZACIVSA-N 0 3 292.791 3.096 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCN1CCCCC ZINC001479245282 937918229 /nfs/dbraw/zinc/91/82/29/937918229.db2.gz ZYTFMXJTWMVPHO-NVXWUHKLSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001479701132 937924272 /nfs/dbraw/zinc/92/42/72/937924272.db2.gz VVFCFOHDFGNCLE-WBVHZDCISA-N 0 3 286.419 3.040 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001480740127 937943261 /nfs/dbraw/zinc/94/32/61/937943261.db2.gz VSPONZRPDWPDTL-HZPDHXFCSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC001493898214 937951893 /nfs/dbraw/zinc/95/18/93/937951893.db2.gz RSPHPUXGZXHEAZ-MLHJIOFPSA-N 0 3 298.430 3.056 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)c1occc1C)c1ccccc1 ZINC001493883680 937951974 /nfs/dbraw/zinc/95/19/74/937951974.db2.gz JOKLHOZWZCPQDW-INIZCTEOSA-N 0 3 298.386 3.225 20 30 CGEDHN C=C/C(C)=C\CC(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1 ZINC001494910919 937957268 /nfs/dbraw/zinc/95/72/68/937957268.db2.gz QYNFBZBBALBBIX-MVMZHWFQSA-N 0 3 276.424 3.008 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001498953103 937971337 /nfs/dbraw/zinc/97/13/37/937971337.db2.gz REYVXWYPJKIKKS-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)CC=C ZINC001499072278 937972663 /nfs/dbraw/zinc/97/26/63/937972663.db2.gz NIWJMLMUVFGVTD-LSDHHAIUSA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001500192176 937976451 /nfs/dbraw/zinc/97/64/51/937976451.db2.gz YWXPKZOBELOFAV-SFHVURJKSA-N 0 3 286.419 3.042 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)C(C)(C)C)cc2C1 ZINC001502652874 937982828 /nfs/dbraw/zinc/98/28/28/937982828.db2.gz INWGOVMFIHURDR-UHFFFAOYSA-N 0 3 286.419 3.241 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001505430647 937985237 /nfs/dbraw/zinc/98/52/37/937985237.db2.gz GVJGFLXFIPCSFR-HRCADAONSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H](C)CCC)C1 ZINC001505486284 937985684 /nfs/dbraw/zinc/98/56/84/937985684.db2.gz OQFNKSKRKFEBOB-LMWSTFAQSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1ccsc1 ZINC001507113065 937994407 /nfs/dbraw/zinc/99/44/07/937994407.db2.gz MSDVSQCXSCABKZ-ZIAGYGMSSA-N 0 3 294.464 3.287 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](NC/C=C/Cl)C(C)(C)C1 ZINC001507445072 937996245 /nfs/dbraw/zinc/99/62/45/937996245.db2.gz VASWOICXJMDNRZ-GWJCSSMESA-N 0 3 298.858 3.168 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001517046194 938011053 /nfs/dbraw/zinc/01/10/53/938011053.db2.gz LVBAMCOBSSOYJD-RVKKMQEKSA-N 0 3 293.370 3.057 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC001517047027 938011065 /nfs/dbraw/zinc/01/10/65/938011065.db2.gz ROOJBCIZQGHRAG-HCWSGVFWSA-N 0 3 291.782 3.076 20 30 CGEDHN N#CC(C(=O)c1cncc2ccccc21)c1cccc(F)n1 ZINC001524718618 938045151 /nfs/dbraw/zinc/04/51/51/938045151.db2.gz YCPYCQUYVIXKIH-CYBMUJFWSA-N 0 3 291.285 3.259 20 30 CGEDHN C=CCCCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001539485807 938124811 /nfs/dbraw/zinc/12/48/11/938124811.db2.gz STWGUUNDNDLEKI-MRXNPFEDSA-N 0 3 284.419 3.014 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H]1CC[C@H](C2CC2)O1 ZINC001559688773 938232998 /nfs/dbraw/zinc/23/29/98/938232998.db2.gz CSKLXQNVFCAVHI-IAGOWNOFSA-N 0 3 275.392 3.268 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccn2)C12CCCCC2 ZINC001559811058 938236301 /nfs/dbraw/zinc/23/63/01/938236301.db2.gz CIAPFVUSOCRWLY-DLBZAZTESA-N 0 3 299.418 3.171 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC001559821702 938236645 /nfs/dbraw/zinc/23/66/45/938236645.db2.gz ZKXGVNNJSQZCQS-FXAWDEMLSA-N 0 3 293.410 3.286 20 30 CGEDHN C=CCCCN(CC)Cc1cc(C(=O)OC)ccc1F ZINC001560204298 938247007 /nfs/dbraw/zinc/24/70/07/938247007.db2.gz FYRUBMMLNRTDOP-UHFFFAOYSA-N 0 3 279.355 3.400 20 30 CGEDHN C=CCOCCCNCc1nc2ccccc2n1C(C)C ZINC001560534905 938261987 /nfs/dbraw/zinc/26/19/87/938261987.db2.gz XYFXWPGLFRGCCL-UHFFFAOYSA-N 0 3 287.407 3.300 20 30 CGEDHN C#CCN(C)C/C(C)=C\c1ccccc1OC(F)F ZINC001561032739 938290513 /nfs/dbraw/zinc/29/05/13/938290513.db2.gz PCIMUDOBQYLRKH-BENRWUELSA-N 0 3 265.303 3.256 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC001574851862 960467233 /nfs/dbraw/zinc/46/72/33/960467233.db2.gz LTYUESATELIEDC-LBPRGKRZSA-N 0 3 286.847 3.177 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001566748330 960574233 /nfs/dbraw/zinc/57/42/33/960574233.db2.gz BMDMYJKPWWDVME-ZACQAIPSSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)CCC ZINC001565824507 960829487 /nfs/dbraw/zinc/82/94/87/960829487.db2.gz IZVBXTMUXHVJMY-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@](C)(CC)CCC)[C@H]1C ZINC001566108116 960884017 /nfs/dbraw/zinc/88/40/17/960884017.db2.gz KPOYUXGPHSXETH-HLLBOEOZSA-N 0 3 280.456 3.358 20 30 CGEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCCC ZINC001566954782 961068751 /nfs/dbraw/zinc/06/87/51/961068751.db2.gz CVVJXCGFUZSWAM-SJORKVTESA-N 0 3 290.451 3.045 20 30 CGEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCCC ZINC001566954779 961073886 /nfs/dbraw/zinc/07/38/86/961073886.db2.gz CVVJXCGFUZSWAM-DLBZAZTESA-N 0 3 290.451 3.045 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C(C)(C)CCC ZINC001567227972 961147929 /nfs/dbraw/zinc/14/79/29/961147929.db2.gz MFIVDCFYEQAFKW-GFCCVEGCSA-N 0 3 274.836 3.050 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C(C)(C)C1CC1)c1ccccc1 ZINC001567663227 961375618 /nfs/dbraw/zinc/37/56/18/961375618.db2.gz ODPGMUGQSWBMNH-INIZCTEOSA-N 0 3 286.419 3.056 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC(C)C ZINC001567850251 961443463 /nfs/dbraw/zinc/44/34/63/961443463.db2.gz BBAMYEWBSTVOMR-IRXDYDNUSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C(C)=C2CCC2)CCCC1 ZINC001568234820 961522517 /nfs/dbraw/zinc/52/25/17/961522517.db2.gz DZQBZVIQMXEHOL-UHFFFAOYSA-N 0 3 296.842 3.258 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001569122274 961695105 /nfs/dbraw/zinc/69/51/05/961695105.db2.gz ZEFHWBGRONNCAX-XIRDDKMYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1occc1C ZINC001570025431 961889931 /nfs/dbraw/zinc/88/99/31/961889931.db2.gz GKECPNXWSMTDKE-UHFFFAOYSA-N 0 3 298.386 3.136 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)C(C)C ZINC001571615318 962185103 /nfs/dbraw/zinc/18/51/03/962185103.db2.gz NFJBCHWGQNOBIU-WBVHZDCISA-N 0 3 280.456 3.023 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC001574903240 962328496 /nfs/dbraw/zinc/32/84/96/962328496.db2.gz NCYNTTAQRCROSB-SJORKVTESA-N 0 3 288.435 3.226 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1CSC ZINC001574908108 962329074 /nfs/dbraw/zinc/32/90/74/962329074.db2.gz DLWLYNVNQOXZRS-ZDUSSCGKSA-N 0 3 278.421 3.172 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@]1(C)CCCc2ccccc21 ZINC001574902563 962331781 /nfs/dbraw/zinc/33/17/81/962331781.db2.gz CKGIEHUCSLDXST-AEFFLSMTSA-N 0 3 286.419 3.038 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ncccc1C ZINC001577430209 962542512 /nfs/dbraw/zinc/54/25/12/962542512.db2.gz UPUMQTDCSWFMMV-CQSZACIVSA-N 0 3 277.412 3.406 20 30 CGEDHN C=CCCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588593467 963283332 /nfs/dbraw/zinc/28/33/32/963283332.db2.gz CJMRQYSUMMXYJF-ZDUSSCGKSA-N 0 3 285.395 3.010 20 30 CGEDHN C=CCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588593467 963283344 /nfs/dbraw/zinc/28/33/44/963283344.db2.gz CJMRQYSUMMXYJF-ZDUSSCGKSA-N 0 3 285.395 3.010 20 30 CGEDHN COc1ccc2c(c1)CCC[C@@H]2CNC[C@H](C#N)CCC#N ZINC000573298078 334924911 /nfs/dbraw/zinc/92/49/11/334924911.db2.gz XWUOXKBMPLHGEH-GOEBONIOSA-N 0 3 297.402 3.148 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2OC(F)F)cc1F ZINC000337397972 214053385 /nfs/dbraw/zinc/05/33/85/214053385.db2.gz JNHGLHONSZNJJV-KGLIPLIRSA-N 0 3 298.308 3.337 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(CCC)s1 ZINC000621359620 349507272 /nfs/dbraw/zinc/50/72/72/349507272.db2.gz PPZBHIYFMYVQOJ-KGLIPLIRSA-N 0 3 251.395 3.134 20 30 CGEDHN Cc1nc([C@H](C)N[C@H]2CC[C@@H](CC#N)C2)c(C)s1 ZINC000590656418 346860118 /nfs/dbraw/zinc/86/01/18/346860118.db2.gz BOOBTXBYNCSNNM-XDTLVQLUSA-N 0 3 263.410 3.493 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](CO)c2ccsc2)C1 ZINC000651764823 398284855 /nfs/dbraw/zinc/28/48/55/398284855.db2.gz PRAIZAQISWFNSV-BNOWGMLFSA-N 0 3 251.395 3.116 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1n[nH]c2ccccc21 ZINC000344681178 529448680 /nfs/dbraw/zinc/44/86/80/529448680.db2.gz AEXMBGWUPAWEDJ-OLZOCXBDSA-N 0 3 270.380 3.166 20 30 CGEDHN C[C@](CO)(NCCC1(C#N)CCCCC1)c1ccccc1 ZINC000591014006 346894532 /nfs/dbraw/zinc/89/45/32/346894532.db2.gz LHOZJVUYCRSMPX-QGZVFWFLSA-N 0 3 286.419 3.348 20 30 CGEDHN CC(C)(CC#N)CNCc1nccc2ccccc21 ZINC000590970652 346891848 /nfs/dbraw/zinc/89/18/48/346891848.db2.gz VSHLVBOUTRNCGF-UHFFFAOYSA-N 0 3 253.349 3.264 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccnc(C#N)c1 ZINC000590971627 346892365 /nfs/dbraw/zinc/89/23/65/346892365.db2.gz ANQMRPQXYBHCSO-ZDUSSCGKSA-N 0 3 283.350 3.155 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(OCc2ccccc2F)CC1 ZINC000591022446 346895418 /nfs/dbraw/zinc/89/54/18/346895418.db2.gz KOOKUBDQSJYNPF-AWEZNQCLSA-N 0 3 290.382 3.499 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@@H](C3CCC3)C2)c1 ZINC000591061656 346897350 /nfs/dbraw/zinc/89/73/50/346897350.db2.gz CBUHDBPZWFHQQV-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN CC(C)(C#N)CN[C@@H]1CCc2cccc(Cl)c2C1 ZINC000591260717 346911951 /nfs/dbraw/zinc/91/19/51/346911951.db2.gz MSYZAACBFFGRIG-GFCCVEGCSA-N 0 3 262.784 3.337 20 30 CGEDHN C=C(C)CCN1CCc2nccc(Br)c2C1 ZINC000623287255 349776218 /nfs/dbraw/zinc/77/62/18/349776218.db2.gz WCPVTNSRVZLIKO-UHFFFAOYSA-N 0 3 281.197 3.168 20 30 CGEDHN CCOc1ccc(C[C@@H](C)CNC[C@H](C#N)CCC#N)cc1 ZINC000591376432 346918523 /nfs/dbraw/zinc/91/85/23/346918523.db2.gz BWLSCZPTIVJFCJ-WBVHZDCISA-N 0 3 299.418 3.297 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000592071162 346960198 /nfs/dbraw/zinc/96/01/98/346960198.db2.gz DLCOHHSAYGCEHK-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN CC(C)c1ccc([C@@H](C)N2CC[C@@](O)(CC#N)C2)cc1 ZINC000592151318 346967546 /nfs/dbraw/zinc/96/75/46/346967546.db2.gz LNVKWHYBJNVZIM-PBHICJAKSA-N 0 3 272.392 3.221 20 30 CGEDHN CC(C)O[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000592133312 346965615 /nfs/dbraw/zinc/96/56/15/346965615.db2.gz OXMCYETVQMTEKR-QGZVFWFLSA-N 0 3 286.419 3.487 20 30 CGEDHN CC(C)C[C@H](NCC1(CC#N)CC1)c1ccncc1 ZINC000592390059 346981804 /nfs/dbraw/zinc/98/18/04/346981804.db2.gz JWNOBQNKZYYKCH-HNNXBMFYSA-N 0 3 257.381 3.452 20 30 CGEDHN C[C@@H]1CC2(CN1Cc1ccc(C#N)s1)CCOCC2 ZINC000592526014 346997011 /nfs/dbraw/zinc/99/70/11/346997011.db2.gz FGVZPTFTPJVZOA-GFCCVEGCSA-N 0 3 276.405 3.011 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC1CCCCC1 ZINC000043999926 345005281 /nfs/dbraw/zinc/00/52/81/345005281.db2.gz KWVFZKJVUGNRTQ-CQSZACIVSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054179445 345130519 /nfs/dbraw/zinc/13/05/19/345130519.db2.gz ZNJKSZYDXXVIQR-RYUDHWBXSA-N 0 3 282.334 3.358 20 30 CGEDHN CC(C)=CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172256 345144037 /nfs/dbraw/zinc/14/40/37/345144037.db2.gz AATFUPLFNWNIEH-UHFFFAOYSA-N 0 3 283.419 3.032 20 30 CGEDHN N#Cc1ccc(N[C@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1 ZINC000061981235 345236449 /nfs/dbraw/zinc/23/64/49/345236449.db2.gz LHSCUAIYLAMNNR-NSHDSACASA-N 0 3 295.308 3.226 20 30 CGEDHN C[C@H](CNCc1cccc(C#N)c1)Oc1ccccc1 ZINC000073006108 232173972 /nfs/dbraw/zinc/17/39/72/232173972.db2.gz VKDGFNBBXFZTTM-CQSZACIVSA-N 0 3 266.344 3.115 20 30 CGEDHN Cc1ccc(NC(=O)c2cccc(C#N)c2)c(CN(C)C)c1 ZINC000072839682 345418926 /nfs/dbraw/zinc/41/89/26/345418926.db2.gz VLJVUEJHWBIRNI-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C=CCCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116721 345729717 /nfs/dbraw/zinc/72/97/17/345729717.db2.gz YTBTXQFNPXLVTF-HNNXBMFYSA-N 0 3 255.365 3.286 20 30 CGEDHN N#Cc1cccc(Cl)c1N1CCC[C@@H](N2CCCC2)C1 ZINC000091453480 345814178 /nfs/dbraw/zinc/81/41/78/345814178.db2.gz AAOXBTRMUQBNJT-CQSZACIVSA-N 0 3 289.810 3.276 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](COCC)C2)cc1 ZINC000093838625 345889244 /nfs/dbraw/zinc/88/92/44/345889244.db2.gz DCLVZQHAFMREPL-INIZCTEOSA-N 0 3 275.392 3.110 20 30 CGEDHN N#CCCN(CC1CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000093091412 345869275 /nfs/dbraw/zinc/86/92/75/345869275.db2.gz LCJQSUZGAVFNKY-IAGOWNOFSA-N 0 3 254.377 3.416 20 30 CGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@@H](C)C#N)CC3 ZINC000133041214 346075047 /nfs/dbraw/zinc/07/50/47/346075047.db2.gz JWQAYHBWNWGZDC-QWHCGFSZSA-N 0 3 267.376 3.083 20 30 CGEDHN N#Cc1cc(F)ccc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177547215 232370278 /nfs/dbraw/zinc/37/02/78/232370278.db2.gz NJPLFUAWVQRCQT-BETUJISGSA-N 0 3 258.340 3.319 20 30 CGEDHN C=C[C@H](CO)N[C@@H](CCC)c1cc(C)sc1C ZINC000624016552 349948688 /nfs/dbraw/zinc/94/86/88/349948688.db2.gz ZKXCFSJBGOSHBO-OCCSQVGLSA-N 0 3 253.411 3.343 20 30 CGEDHN C[C@H]1C[C@@H](Nc2cccc(C#N)n2)CN1Cc1ccccc1 ZINC000339217344 215018714 /nfs/dbraw/zinc/01/87/14/215018714.db2.gz LBMBXGQREKICFQ-WMLDXEAASA-N 0 3 292.386 3.028 20 30 CGEDHN C#CCCN[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000273292178 192101928 /nfs/dbraw/zinc/10/19/28/192101928.db2.gz LJXABPVZSWAWRZ-LBPRGKRZSA-N 0 3 257.333 3.424 20 30 CGEDHN CC(C)CO[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000253158786 346393672 /nfs/dbraw/zinc/39/36/72/346393672.db2.gz QNKLDVSKAOBOCN-PBHICJAKSA-N 0 3 272.392 3.366 20 30 CGEDHN CCOc1cc(CNCCCC#N)cc(Cl)c1OC ZINC000273028887 346412630 /nfs/dbraw/zinc/41/26/30/346412630.db2.gz FVNLIWPZYYFVFY-UHFFFAOYSA-N 0 3 282.771 3.141 20 30 CGEDHN N#CCCCN[C@H]1CCSc2c(F)cccc21 ZINC000280766831 346418021 /nfs/dbraw/zinc/41/80/21/346418021.db2.gz ITCWHJLMYGCFTR-LBPRGKRZSA-N 0 3 250.342 3.256 20 30 CGEDHN CN(C)Cc1ccc(-c2noc(CCCCCC#N)n2)cc1 ZINC000349840885 346515094 /nfs/dbraw/zinc/51/50/94/346515094.db2.gz QLTZYWDYFOFTGP-UHFFFAOYSA-N 0 3 298.390 3.425 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000321510868 346489840 /nfs/dbraw/zinc/48/98/40/346489840.db2.gz WAEHLSQPEJBRJH-GXSJLCMTSA-N 0 3 257.736 3.067 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(Cl)s1 ZINC000320805801 346489889 /nfs/dbraw/zinc/48/98/89/346489889.db2.gz WKGUNTNAFHTRJH-VHSXEESVSA-N 0 3 259.802 3.379 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000397793756 346584905 /nfs/dbraw/zinc/58/49/05/346584905.db2.gz DICBCWGPCZQFQB-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN CC(C)CCOCCN1CCC(CCC#N)CC1 ZINC000399265910 346587854 /nfs/dbraw/zinc/58/78/54/346587854.db2.gz ATXBBUXWZMDULU-UHFFFAOYSA-N 0 3 252.402 3.065 20 30 CGEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)[C@H](C)CO1 ZINC000404015611 346598957 /nfs/dbraw/zinc/59/89/57/346598957.db2.gz WKUKSOQALNSBOI-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCC1(C2CC2)CCC1 ZINC000549807113 346654860 /nfs/dbraw/zinc/65/48/60/346654860.db2.gz LNNVHYIBYRWYRJ-MRXNPFEDSA-N 0 3 296.414 3.455 20 30 CGEDHN CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)C(C)C#N ZINC000504700571 346634607 /nfs/dbraw/zinc/63/46/07/346634607.db2.gz NXLPSMAPJPGLRP-KBPBESRZSA-N 0 3 290.432 3.450 20 30 CGEDHN Cc1ccc([C@@H](CNc2nc(C#N)ccc2C)N(C)C)cc1 ZINC000589108601 346783403 /nfs/dbraw/zinc/78/34/03/346783403.db2.gz GFSBEXPSLKELPZ-QGZVFWFLSA-N 0 3 294.402 3.285 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@@H]2C2CCC2)nc1 ZINC000594016464 347138599 /nfs/dbraw/zinc/13/85/99/347138599.db2.gz XTTGNQDUXTZOGO-MRXNPFEDSA-N 0 3 255.365 3.108 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000594045107 347144292 /nfs/dbraw/zinc/14/42/92/347144292.db2.gz TZCDHCSGNYYVQE-HZPDHXFCSA-N 0 3 276.355 3.135 20 30 CGEDHN C[C@@H]1CN(CCCCC#N)CC2(CCCCC2)O1 ZINC000594057637 347146709 /nfs/dbraw/zinc/14/67/09/347146709.db2.gz JZSITQVYOBBJHQ-CQSZACIVSA-N 0 3 250.386 3.104 20 30 CGEDHN N#Cc1csc(CNC[C@@H]2CCC3(CCCC3)O2)c1 ZINC000594523312 347189766 /nfs/dbraw/zinc/18/97/66/347189766.db2.gz PNHROFICAMHIHQ-ZDUSSCGKSA-N 0 3 276.405 3.201 20 30 CGEDHN C=CCCCCCNCc1cc(C(=O)OC)oc1C ZINC000594612777 347203896 /nfs/dbraw/zinc/20/38/96/347203896.db2.gz HXETXOWHNKELON-UHFFFAOYSA-N 0 3 265.353 3.211 20 30 CGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cc2ccccc2o1 ZINC000594427533 347173746 /nfs/dbraw/zinc/17/37/46/347173746.db2.gz VEFHYZJHSGVUHX-GXTWGEPZSA-N 0 3 299.374 3.021 20 30 CGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cc2ccccc2o1 ZINC000594427535 347173752 /nfs/dbraw/zinc/17/37/52/347173752.db2.gz VEFHYZJHSGVUHX-JSGCOSHPSA-N 0 3 299.374 3.021 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594427873 347173888 /nfs/dbraw/zinc/17/38/88/347173888.db2.gz LMPJTXSZVLRNNK-SJORKVTESA-N 0 3 299.418 3.070 20 30 CGEDHN CC(C)CCC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594445705 347174700 /nfs/dbraw/zinc/17/47/00/347174700.db2.gz KKBGDNUTOIISPN-MRXNPFEDSA-N 0 3 293.455 3.072 20 30 CGEDHN Cc1cncc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594501053 347179847 /nfs/dbraw/zinc/17/98/47/347179847.db2.gz QLGBILMLTHQKMQ-UHFFFAOYSA-N 0 3 279.387 3.481 20 30 CGEDHN C[C@H](CN[C@@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000594510602 347183420 /nfs/dbraw/zinc/18/34/20/347183420.db2.gz AVVSBVLVWGXZHQ-OLZOCXBDSA-N 0 3 288.391 3.187 20 30 CGEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000594515070 347185641 /nfs/dbraw/zinc/18/56/41/347185641.db2.gz DUGCPVMQIHKCNV-MFKMUULPSA-N 0 3 264.369 3.071 20 30 CGEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)[C@H]1CCCO1 ZINC000594516219 347186775 /nfs/dbraw/zinc/18/67/75/347186775.db2.gz BVQZYXADNRXELB-XJKSGUPXSA-N 0 3 270.376 3.095 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]2c2ccccc2)o1 ZINC000594995428 347251864 /nfs/dbraw/zinc/25/18/64/347251864.db2.gz PYVOJXBLNOJDHQ-HZPDHXFCSA-N 0 3 252.317 3.187 20 30 CGEDHN CO[C@@H](CNCc1cc(C#N)cs1)C1CCCCC1 ZINC000594996294 347252280 /nfs/dbraw/zinc/25/22/80/347252280.db2.gz ADTIGSJZBRAZJE-HNNXBMFYSA-N 0 3 278.421 3.305 20 30 CGEDHN N#CC1(c2ccc(CNCCOc3ccccc3)cc2)CC1 ZINC000594916270 347228720 /nfs/dbraw/zinc/22/87/20/347228720.db2.gz CBXLYKNFUWVIAD-UHFFFAOYSA-N 0 3 292.382 3.410 20 30 CGEDHN CCc1cccc2cc(CNC3CCN(CC#N)CC3)oc21 ZINC000594927407 347231678 /nfs/dbraw/zinc/23/16/78/347231678.db2.gz VEPMYRRXHVRLIC-UHFFFAOYSA-N 0 3 297.402 3.073 20 30 CGEDHN N#CC1(c2ccc(CNCCC(F)(F)F)cc2)CC1 ZINC000594929824 347232257 /nfs/dbraw/zinc/23/22/57/347232257.db2.gz NWKAKNWFMXWMBF-UHFFFAOYSA-N 0 3 268.282 3.284 20 30 CGEDHN CC(F)(F)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594943002 347237055 /nfs/dbraw/zinc/23/70/55/347237055.db2.gz FUUZSYYHSYUCEE-UHFFFAOYSA-N 0 3 264.319 3.377 20 30 CGEDHN CC(C)c1cnc(CNCCc2ccc(C#N)cc2)s1 ZINC000594955695 347240311 /nfs/dbraw/zinc/24/03/11/347240311.db2.gz SFVJCQSIOWOFMH-UHFFFAOYSA-N 0 3 285.416 3.470 20 30 CGEDHN C=CCCSCCNCc1ccc(C#N)cc1F ZINC000594959692 347240622 /nfs/dbraw/zinc/24/06/22/347240622.db2.gz AAUMJUALQGWYOU-UHFFFAOYSA-N 0 3 264.369 3.096 20 30 CGEDHN C=CCCSCCNCc1sccc1OC ZINC000594960606 347241405 /nfs/dbraw/zinc/24/14/05/347241405.db2.gz VVUFTVNUADXEMN-UHFFFAOYSA-N 0 3 257.424 3.156 20 30 CGEDHN CCC(O)(CC)C(C)(C)CNCc1ccc(C#N)s1 ZINC000594964970 347243954 /nfs/dbraw/zinc/24/39/54/347243954.db2.gz NDLUDFZTLNVOJS-UHFFFAOYSA-N 0 3 280.437 3.287 20 30 CGEDHN N#Cc1csc(CN[C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000594972451 347246336 /nfs/dbraw/zinc/24/63/36/347246336.db2.gz FQHMSMZMPNKMCL-CTYIDZIISA-N 0 3 284.384 3.319 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NCC2(C#N)CCCCC2)CCO1 ZINC000594981034 347247608 /nfs/dbraw/zinc/24/76/08/347247608.db2.gz FVIWUXOXDJVYIA-CABCVRRESA-N 0 3 264.413 3.254 20 30 CGEDHN N#Cc1ccc(CCN2CCc3ccc(F)cc3C2)cc1 ZINC000595382409 347297469 /nfs/dbraw/zinc/29/74/69/347297469.db2.gz HNTOGDYCEPPINF-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1F)C(C)(C)C(F)F ZINC000595012823 347257500 /nfs/dbraw/zinc/25/75/00/347257500.db2.gz OUMDPPCWRGQCMN-VIFPVBQESA-N 0 3 270.298 3.467 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)CSCCF ZINC000595016674 347258327 /nfs/dbraw/zinc/25/83/27/347258327.db2.gz ILUHDQYYIKXHKV-CYBMUJFWSA-N 0 3 283.412 3.432 20 30 CGEDHN N#Cc1cccc(C2(NC3CC(CF)(CF)C3)CC2)c1 ZINC000595028564 347261680 /nfs/dbraw/zinc/26/16/80/347261680.db2.gz DQEASQIRBCRAEB-UHFFFAOYSA-N 0 3 276.330 3.225 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595415420 347300047 /nfs/dbraw/zinc/30/00/47/347300047.db2.gz RFCGZFKBSMBIMM-WBMJQRKESA-N 0 3 258.365 3.024 20 30 CGEDHN C[C@H](COc1c(F)cccc1F)N[C@H]1CCC[C@@H](C#N)C1 ZINC000595073635 347277274 /nfs/dbraw/zinc/27/72/74/347277274.db2.gz WRZXHTKWWAQIJR-UPJWGTAASA-N 0 3 294.345 3.404 20 30 CGEDHN C[C@@H](NC[C@@]1(C)CC1(F)F)c1ccc(C#N)cc1F ZINC000595081831 347279701 /nfs/dbraw/zinc/27/97/01/347279701.db2.gz SHLSOUNHJQEISB-NOZJJQNGSA-N 0 3 268.282 3.393 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC000595099304 347283777 /nfs/dbraw/zinc/28/37/77/347283777.db2.gz KSRRJOOUMUSSBQ-PWSUYJOCSA-N 0 3 294.301 3.180 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(C(=O)OC)cs1 ZINC000595604531 347324800 /nfs/dbraw/zinc/32/48/00/347324800.db2.gz SEZFOOVKJNNWCV-NWDGAFQWSA-N 0 3 294.420 3.154 20 30 CGEDHN CO[C@H](CNC(C)(C)c1cccc(C#N)c1)C1CCC1 ZINC000595633553 347331213 /nfs/dbraw/zinc/33/12/13/347331213.db2.gz VBGPAOVKKBLATL-MRXNPFEDSA-N 0 3 272.392 3.198 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000595661388 347335191 /nfs/dbraw/zinc/33/51/91/347335191.db2.gz ZXILODQCILXQTP-LBPRGKRZSA-N 0 3 279.405 3.323 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@@H](CCF)C2)cc1 ZINC000595756359 347351824 /nfs/dbraw/zinc/35/18/24/347351824.db2.gz UJMRRIHNZASFFG-HNNXBMFYSA-N 0 3 276.355 3.009 20 30 CGEDHN CC(C)c1ncc(CN(C)CCc2ccc(C#N)cc2)cn1 ZINC000595472789 347308618 /nfs/dbraw/zinc/30/86/18/347308618.db2.gz QNLNWMZMJIHXDG-UHFFFAOYSA-N 0 3 294.402 3.146 20 30 CGEDHN N#Cc1ccc(CCN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000595490438 347311522 /nfs/dbraw/zinc/31/15/22/347311522.db2.gz KYZOVPDENQGXCL-ROUUACIJSA-N 0 3 296.414 3.134 20 30 CGEDHN C[C@@H]1COC2(CCCC2)CN1CCc1ccc(C#N)cc1 ZINC000595809520 347357574 /nfs/dbraw/zinc/35/75/74/347357574.db2.gz SIRPTPMVWVXGQB-OAHLLOKOSA-N 0 3 284.403 3.134 20 30 CGEDHN CC(C)CC1(NCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000595833484 347363620 /nfs/dbraw/zinc/36/36/20/347363620.db2.gz KSFMVEVIXXSSGL-UHFFFAOYSA-N 0 3 299.418 3.102 20 30 CGEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595858035 347368298 /nfs/dbraw/zinc/36/82/98/347368298.db2.gz QYABDLGPLMDOIM-PHTAMDTFSA-N 0 3 285.347 3.229 20 30 CGEDHN CC(C)(C#N)CCCCN[C@H](CO)c1ccc(F)cc1F ZINC000595867111 347368966 /nfs/dbraw/zinc/36/89/66/347368966.db2.gz LGLPJSABULZEGL-OAHLLOKOSA-N 0 3 296.361 3.308 20 30 CGEDHN C[C@]1(c2ccccc2)CC[C@H](N2CC(CC#N)C2)C1 ZINC000597204229 347554455 /nfs/dbraw/zinc/55/44/55/347554455.db2.gz UVYFTWORGUQURN-IRXDYDNUSA-N 0 3 254.377 3.342 20 30 CGEDHN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000597883187 347598342 /nfs/dbraw/zinc/59/83/42/347598342.db2.gz CVXSIQDVMRSFDZ-KGLIPLIRSA-N 0 3 256.349 3.127 20 30 CGEDHN C=CCCSCCNCc1ccc(O)c(OCC)c1 ZINC000597183295 347546293 /nfs/dbraw/zinc/54/62/93/347546293.db2.gz AWHHUEPVAOJSKD-UHFFFAOYSA-N 0 3 281.421 3.190 20 30 CGEDHN CCC[C@H](CN[C@H](C)c1ccc(C#N)cc1)OCC ZINC000599059670 347712858 /nfs/dbraw/zinc/71/28/58/347712858.db2.gz JKVSZCUEWDSRJJ-CZUORRHYSA-N 0 3 260.381 3.414 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc[nH]c1=O ZINC000599089030 347716378 /nfs/dbraw/zinc/71/63/78/347716378.db2.gz WICKRJABHFZSRN-QGZVFWFLSA-N 0 3 293.370 3.216 20 30 CGEDHN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(F)ccc1F ZINC000598603668 347670520 /nfs/dbraw/zinc/67/05/20/347670520.db2.gz YIGOIMPKNKECAU-WFASDCNBSA-N 0 3 296.361 3.306 20 30 CGEDHN N#Cc1cc(CN2CCCC3(CC3)CC2)ccc1F ZINC000599673043 347763293 /nfs/dbraw/zinc/76/32/93/347763293.db2.gz LNVJIMRDZGRUIK-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@H](O)C1CCCCC1)C2 ZINC000599679117 347764710 /nfs/dbraw/zinc/76/47/10/347764710.db2.gz WIHQUKRZLPJDSZ-IBGZPJMESA-N 0 3 298.430 3.052 20 30 CGEDHN Cc1ccc(CN2CC[C@H](c3ccco3)C2)cc1C#N ZINC000599291832 347732431 /nfs/dbraw/zinc/73/24/31/347732431.db2.gz SEQDMIVMBFVTCU-HNNXBMFYSA-N 0 3 266.344 3.449 20 30 CGEDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1C#N ZINC000599348384 347738118 /nfs/dbraw/zinc/73/81/18/347738118.db2.gz JZOKKMPLJTWBHZ-CYBMUJFWSA-N 0 3 294.354 3.446 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OC)cc2F)C1 ZINC000599526784 347750593 /nfs/dbraw/zinc/75/05/93/347750593.db2.gz SAQPSFAZRYUJSC-LBPRGKRZSA-N 0 3 277.339 3.010 20 30 CGEDHN C[C@H]1CN(CCC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599580887 347756103 /nfs/dbraw/zinc/75/61/03/347756103.db2.gz HFDFXHOFZIBQLO-KBPBESRZSA-N 0 3 294.439 3.226 20 30 CGEDHN C=C(CC)CN1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599587571 347756218 /nfs/dbraw/zinc/75/62/18/347756218.db2.gz FSMGCQUPVBGEDG-KBPBESRZSA-N 0 3 267.413 3.252 20 30 CGEDHN C=CC(C)(C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000600169003 347788364 /nfs/dbraw/zinc/78/83/64/347788364.db2.gz CQJNLONOMGSGMO-MRXNPFEDSA-N 0 3 284.403 3.477 20 30 CGEDHN COc1ccc(C#N)cc1CNc1cccc(CN(C)C)c1 ZINC000600848100 347840651 /nfs/dbraw/zinc/84/06/51/347840651.db2.gz GQXAFZHCKVVKPR-UHFFFAOYSA-N 0 3 295.386 3.241 20 30 CGEDHN C[C@@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)[C@H](C)O1 ZINC000601148838 347874825 /nfs/dbraw/zinc/87/48/25/347874825.db2.gz AYYSXDZVYXIYOH-WWGRRREGSA-N 0 3 272.392 3.143 20 30 CGEDHN Cc1cccc(C[C@@]2(C)CCCN2C(=O)C(C)C#N)c1 ZINC000601868731 347920776 /nfs/dbraw/zinc/92/07/76/347920776.db2.gz GMBGLXWTLLHFSU-WMLDXEAASA-N 0 3 270.376 3.078 20 30 CGEDHN C[C@@H](CCC#N)CNCc1coc(-c2cccs2)n1 ZINC000602532184 347976599 /nfs/dbraw/zinc/97/65/99/347976599.db2.gz DSEVVPGUMHJQST-NSHDSACASA-N 0 3 275.377 3.433 20 30 CGEDHN C[C@H](CCC#N)CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000602475621 347965143 /nfs/dbraw/zinc/96/51/43/347965143.db2.gz LOZFTPCZWFHJDW-QAPCUYQASA-N 0 3 284.403 3.100 20 30 CGEDHN CC[C@@H](C)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000602535672 347977217 /nfs/dbraw/zinc/97/72/17/347977217.db2.gz WVNSQFKVPPEVTK-DOMZBBRYSA-N 0 3 273.380 3.160 20 30 CGEDHN CC[C@H](CNCc1cccc(C#N)n1)Oc1cccc(C)c1 ZINC000602521404 347975024 /nfs/dbraw/zinc/97/50/24/347975024.db2.gz QJWWHRLHPBSAEK-QGZVFWFLSA-N 0 3 295.386 3.209 20 30 CGEDHN C[C@H](CCNCc1cccc(C#N)n1)c1ccccc1 ZINC000602526182 347975896 /nfs/dbraw/zinc/97/58/96/347975896.db2.gz NGIONFXOHIHUOY-CQSZACIVSA-N 0 3 265.360 3.237 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000602573139 347985986 /nfs/dbraw/zinc/98/59/86/347985986.db2.gz OTPZKJDALKOIAI-NWDGAFQWSA-N 0 3 297.324 3.412 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000602613800 347994424 /nfs/dbraw/zinc/99/44/24/347994424.db2.gz WMBUPQBPZZMHTF-GUDXXQAFSA-N 0 3 272.392 3.469 20 30 CGEDHN COCCC1(CNCc2cccc(C#N)n2)CCCCC1 ZINC000602618709 347995429 /nfs/dbraw/zinc/99/54/29/347995429.db2.gz DSMDTTMLOQGGFH-UHFFFAOYSA-N 0 3 287.407 3.030 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc2cc[nH]c21 ZINC000602624490 347995851 /nfs/dbraw/zinc/99/58/51/347995851.db2.gz BTUMDIKSAXQRJU-CQSZACIVSA-N 0 3 297.402 3.356 20 30 CGEDHN CCN(Cc1cccc(C#N)n1)[C@@H](C)Cc1ccsc1 ZINC000602622605 347996203 /nfs/dbraw/zinc/99/62/03/347996203.db2.gz BANOTRBAPBTSLJ-ZDUSSCGKSA-N 0 3 285.416 3.468 20 30 CGEDHN C[C@@H](NC[C@@H](C)CCC#N)c1ccc(Br)cn1 ZINC000602637059 347998361 /nfs/dbraw/zinc/99/83/61/347998361.db2.gz BDVFYBHBVCERGM-WDEREUQCSA-N 0 3 296.212 3.435 20 30 CGEDHN CCC[C@@]1(C(=O)OCC)CCCN1C[C@H](C)CCC#N ZINC000602637170 347998502 /nfs/dbraw/zinc/99/85/02/347998502.db2.gz LPRMOZPMTIXPIP-ZBFHGGJFSA-N 0 3 280.412 3.124 20 30 CGEDHN Cc1ccccc1[C@H]1C[C@H](NCc2cccc(C#N)n2)C1 ZINC000602647165 348000726 /nfs/dbraw/zinc/00/07/26/348000726.db2.gz IITYHJAQEVBIDX-CZIWCDLHSA-N 0 3 277.371 3.298 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CS1 ZINC000602656668 348001943 /nfs/dbraw/zinc/00/19/43/348001943.db2.gz CWEIZSSGIHWVBN-BXKDBHETSA-N 0 3 266.797 3.195 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602719145 348016519 /nfs/dbraw/zinc/01/65/19/348016519.db2.gz YDOSCEQUZCCLPB-HOTGVXAUSA-N 0 3 299.418 3.169 20 30 CGEDHN COc1nc(C)cc(C)c1CN(C)C[C@@H](C)CCC#N ZINC000602716614 348016602 /nfs/dbraw/zinc/01/66/02/348016602.db2.gz URMBRALMHCLHMA-LBPRGKRZSA-N 0 3 275.396 3.079 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(c2cccc(F)c2)CC1 ZINC000602752254 348024165 /nfs/dbraw/zinc/02/41/65/348024165.db2.gz PJOOTQJTPZFGRT-UHFFFAOYSA-N 0 3 289.398 3.278 20 30 CGEDHN C=CCSCCNCc1cc(OC)c(O)cc1Cl ZINC000602546857 347979196 /nfs/dbraw/zinc/97/91/96/347979196.db2.gz YPMGBADOCBWEEC-UHFFFAOYSA-N 0 3 287.812 3.063 20 30 CGEDHN CCS[C@@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602565686 347983355 /nfs/dbraw/zinc/98/33/55/347983355.db2.gz FUVHWSJRENUTLC-SWLSCSKDSA-N 0 3 275.421 3.107 20 30 CGEDHN N#CCC1(CN[C@H](c2ccccn2)C2CCC2)CC1 ZINC000602919365 348044537 /nfs/dbraw/zinc/04/45/37/348044537.db2.gz ZKMWMRKJMKMMCW-HNNXBMFYSA-N 0 3 255.365 3.206 20 30 CGEDHN COc1cc(CNCc2ccsc2C)ccc1C#N ZINC000339404160 215150479 /nfs/dbraw/zinc/15/04/79/215150479.db2.gz WMMCHUIVMXPKRJ-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000609540421 348346663 /nfs/dbraw/zinc/34/66/63/348346663.db2.gz VYGLGZKUDDUHAO-OAHLLOKOSA-N 0 3 252.317 3.141 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000609847955 348354484 /nfs/dbraw/zinc/35/44/84/348354484.db2.gz PWDKSVLURZWKKZ-BMFZPTHFSA-N 0 3 270.376 3.064 20 30 CGEDHN CCS[C@@H]1CCCCN(Cc2ccnc(C#N)c2)C1 ZINC000610992794 348414758 /nfs/dbraw/zinc/41/47/58/348414758.db2.gz JUJLLXLMGINMEZ-OAHLLOKOSA-N 0 3 275.421 3.061 20 30 CGEDHN N#Cc1cc(CN2CCC[C@]3(CC=CCC3)C2)ccn1 ZINC000610993449 348416163 /nfs/dbraw/zinc/41/61/63/348416163.db2.gz SUWRMTVKZMDIMX-QGZVFWFLSA-N 0 3 267.376 3.276 20 30 CGEDHN Cc1cccc([C@@H](C)NCc2ccnc(C#N)c2)c1C ZINC000611396247 348446255 /nfs/dbraw/zinc/44/62/55/348446255.db2.gz GONRDYADLCXEGT-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN C[C@H](NCC1(CO)CCCCC1)c1ccc(C#N)cc1F ZINC000611588950 348462226 /nfs/dbraw/zinc/46/22/26/348462226.db2.gz DCOHMVCWNBFSBX-ZDUSSCGKSA-N 0 3 290.382 3.291 20 30 CGEDHN C[C@H]1CSCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167971 348654305 /nfs/dbraw/zinc/65/43/05/348654305.db2.gz FESDTUNXUQRYFP-ZDUSSCGKSA-N 0 3 274.433 3.425 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000616847143 348880424 /nfs/dbraw/zinc/88/04/24/348880424.db2.gz YZNSOZIBIUEJJN-UHFFFAOYSA-N 0 3 272.392 3.122 20 30 CGEDHN Cn1cc(CN[C@H]2CCCc3ccccc32)cc1C#N ZINC000189578658 282645207 /nfs/dbraw/zinc/64/52/07/282645207.db2.gz IKFVDJPNKJLHLL-KRWDZBQOSA-N 0 3 265.360 3.064 20 30 CGEDHN C[C@H](CCC#N)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000618888344 349176134 /nfs/dbraw/zinc/17/61/34/349176134.db2.gz WIPMUWILUKVMAE-AEFFLSMTSA-N 0 3 286.419 3.260 20 30 CGEDHN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccnc(C#N)c2)C1 ZINC000619517245 349255621 /nfs/dbraw/zinc/25/56/21/349255621.db2.gz IUEMEVJDXMGGRQ-SFHVURJKSA-N 0 3 295.361 3.256 20 30 CGEDHN CC(C)CC[C@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000619511101 349255659 /nfs/dbraw/zinc/25/56/59/349255659.db2.gz IHCMFNRWAMFIDS-BBRMVZONSA-N 0 3 260.381 3.006 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000625700192 350198119 /nfs/dbraw/zinc/19/81/19/350198119.db2.gz ICVCJCXNAYXCSQ-LLVKDONJSA-N 0 3 260.312 3.365 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000625705198 350201203 /nfs/dbraw/zinc/20/12/03/350201203.db2.gz YOPFKKPKMDMMFZ-CRAIPNDOSA-N 0 3 298.430 3.078 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(OC)cc2OC)C1 ZINC000628405959 350529692 /nfs/dbraw/zinc/52/96/92/350529692.db2.gz YOABUIZKTJMCTO-ZDUSSCGKSA-N 0 3 261.365 3.102 20 30 CGEDHN C#CCOc1ccc(CN[C@H](C)c2cnccc2C)cc1 ZINC000271476954 191161198 /nfs/dbraw/zinc/16/11/98/191161198.db2.gz LKLILCFCMXHRBZ-OAHLLOKOSA-N 0 3 280.371 3.253 20 30 CGEDHN C[C@H]1CC[C@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000364490667 234047526 /nfs/dbraw/zinc/04/75/26/234047526.db2.gz LRDNYVYZOFUJQA-KBXCAEBGSA-N 0 3 282.387 3.215 20 30 CGEDHN CC#CCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000155069295 188179822 /nfs/dbraw/zinc/17/98/22/188179822.db2.gz BPFWUBFDIKBYPJ-OAHLLOKOSA-N 0 3 271.360 3.008 20 30 CGEDHN Clc1cccc(C#CCN(C[C@H]2CCOC2)C2CC2)c1 ZINC000156113576 188243663 /nfs/dbraw/zinc/24/36/63/188243663.db2.gz KGYNGCNXALKLGB-OAHLLOKOSA-N 0 3 289.806 3.192 20 30 CGEDHN CC#CCCN(C)[C@H](C)c1sc(CC)nc1C ZINC000155774967 188227324 /nfs/dbraw/zinc/22/73/24/188227324.db2.gz XLKQODQHLMGGSY-GFCCVEGCSA-N 0 3 250.411 3.420 20 30 CGEDHN C#CCOc1ccc(CNc2cccc(CN(C)C)c2)cc1 ZINC000156528790 188267616 /nfs/dbraw/zinc/26/76/16/188267616.db2.gz SHSWPZYENWWNFP-UHFFFAOYSA-N 0 3 294.398 3.372 20 30 CGEDHN C=CCC[C@@H](NCc1cncn1C)c1ccccc1 ZINC000158830246 188396488 /nfs/dbraw/zinc/39/64/88/188396488.db2.gz WTSAVGISOXJIDD-MRXNPFEDSA-N 0 3 255.365 3.217 20 30 CGEDHN N#CC1(F)CCN([C@H]2CCCc3ccccc32)CC1 ZINC000352483971 283047437 /nfs/dbraw/zinc/04/74/37/283047437.db2.gz JZUWEZWTKPFVFH-HNNXBMFYSA-N 0 3 258.340 3.392 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000336482152 283058243 /nfs/dbraw/zinc/05/82/43/283058243.db2.gz HUHSRDLRZGIYLX-GDBMZVCRSA-N 0 3 298.434 3.091 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000271832282 191355461 /nfs/dbraw/zinc/35/54/61/191355461.db2.gz XIYRSJLTZGJCGV-TZMCWYRMSA-N 0 3 251.345 3.112 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000271864686 191375026 /nfs/dbraw/zinc/37/50/26/191375026.db2.gz LDHJJUYJKIORGM-LXIYXOSZSA-N 0 3 298.361 3.470 20 30 CGEDHN CO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C12CCC2 ZINC000414169119 235352205 /nfs/dbraw/zinc/35/22/05/235352205.db2.gz AYAPUILQPRZOBG-KNXALSJPSA-N 0 3 288.366 3.306 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(F)c1)CC2 ZINC000336004712 283198690 /nfs/dbraw/zinc/19/86/90/283198690.db2.gz PZXLCOAKJBJRSP-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN N#Cc1ccccc1N1CCCN(Cc2cccs2)CC1 ZINC000192809152 283215737 /nfs/dbraw/zinc/21/57/37/283215737.db2.gz JPTSDEPGKSXZAT-UHFFFAOYSA-N 0 3 297.427 3.332 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000176975918 189017787 /nfs/dbraw/zinc/01/77/87/189017787.db2.gz GKUXGQUPWZRXDJ-UONOGXRCSA-N 0 3 276.405 3.057 20 30 CGEDHN N#Cc1ccc(CN[C@H](CCCO)c2ccccc2)s1 ZINC000176974640 189018247 /nfs/dbraw/zinc/01/82/47/189018247.db2.gz CIWXITZJSASRCG-MRXNPFEDSA-N 0 3 286.400 3.223 20 30 CGEDHN N#Cc1ccccc1CSCCNCc1cncs1 ZINC000178617239 189131742 /nfs/dbraw/zinc/13/17/42/189131742.db2.gz ZAUYSNOLDIHBPX-UHFFFAOYSA-N 0 3 289.429 3.038 20 30 CGEDHN CC[C@H](C)N1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000451824549 240365117 /nfs/dbraw/zinc/36/51/17/240365117.db2.gz PGDKQXGNQMCARJ-LSDHHAIUSA-N 0 3 271.408 3.035 20 30 CGEDHN C[C@@H](NC[C@@H](O)C1CCCCC1)c1cccc(C#N)c1 ZINC000181674616 189303774 /nfs/dbraw/zinc/30/37/74/189303774.db2.gz IOTSVBVEBRKSPW-CXAGYDPISA-N 0 3 272.392 3.150 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C)c1cccc(C#N)c1 ZINC000181768050 189306114 /nfs/dbraw/zinc/30/61/14/189306114.db2.gz GELNEJOLPJUYJK-DOMZBBRYSA-N 0 3 260.381 3.006 20 30 CGEDHN C[C@@H](NCCOCc1ccccc1)c1cccc(C#N)c1 ZINC000181849581 189307973 /nfs/dbraw/zinc/30/79/73/189307973.db2.gz WFCFXJIXVOLHDT-OAHLLOKOSA-N 0 3 280.371 3.426 20 30 CGEDHN C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000182082221 189313489 /nfs/dbraw/zinc/31/34/89/189313489.db2.gz BJXOZCYRWFNXLR-SCLBCKFNSA-N 0 3 298.361 3.256 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCCCN1CCC(C)CC1 ZINC000302102478 201341307 /nfs/dbraw/zinc/34/13/07/201341307.db2.gz LTHZZEIVXPTMKL-UHFFFAOYSA-N 0 3 299.418 3.295 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000302117967 201347929 /nfs/dbraw/zinc/34/79/29/201347929.db2.gz SESLCQDVDIMSKP-KGLIPLIRSA-N 0 3 299.418 3.293 20 30 CGEDHN CC[C@@H](c1ccncc1)N(C)CCCSCC#N ZINC000119814922 370711728 /nfs/dbraw/zinc/71/17/28/370711728.db2.gz CSXQQKYJIBMFOG-AWEZNQCLSA-N 0 3 263.410 3.111 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@]3(CCSC3)C2)c1 ZINC000335578289 212288461 /nfs/dbraw/zinc/28/84/61/212288461.db2.gz FVFAOSMVUANKMG-INIZCTEOSA-N 0 3 272.417 3.277 20 30 CGEDHN C=CCC[C@H](C(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000275386622 193017989 /nfs/dbraw/zinc/01/79/89/193017989.db2.gz YBFJJRQWKAYWFM-SFHVURJKSA-N 0 3 298.430 3.115 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C12CCC2 ZINC000120950318 370816642 /nfs/dbraw/zinc/81/66/42/370816642.db2.gz PWGBGFZHBHXGMS-SJORKVTESA-N 0 3 284.403 3.338 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CCCO)CC1 ZINC000275767901 193124059 /nfs/dbraw/zinc/12/40/59/193124059.db2.gz YNRXZOWAZPQUMF-AWEZNQCLSA-N 0 3 272.392 3.104 20 30 CGEDHN C=CCN(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000121500278 370867217 /nfs/dbraw/zinc/86/72/17/370867217.db2.gz NOZOAQXLGKWUBY-GOSISDBHSA-N 0 3 297.398 3.211 20 30 CGEDHN N#Cc1ccc(OCCN2CC[C@H]2Cc2ccccc2)cc1 ZINC000479128393 243095122 /nfs/dbraw/zinc/09/51/22/243095122.db2.gz JLEZQHCXOUPJOB-SFHVURJKSA-N 0 3 292.382 3.254 20 30 CGEDHN C[C@@H](NC/C=C/c1ccncc1)c1ccc(C#N)cc1 ZINC000486979092 243391610 /nfs/dbraw/zinc/39/16/10/243391610.db2.gz DGZBYIIODZHVJD-BAABZTOOSA-N 0 3 263.344 3.317 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(F)cc2)c(F)c1 ZINC000020041502 368794670 /nfs/dbraw/zinc/79/46/70/368794670.db2.gz KFLYRZSVYWCDNM-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN CC[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000036169529 369012609 /nfs/dbraw/zinc/01/26/09/369012609.db2.gz VRDQSGOXOJFNHY-AWEZNQCLSA-N 0 3 258.365 3.059 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000037508441 369087113 /nfs/dbraw/zinc/08/71/13/369087113.db2.gz DDUYINJVXFOMKF-CYBMUJFWSA-N 0 3 261.328 3.281 20 30 CGEDHN C[C@@H](NCCCC#N)c1cccc(Br)c1 ZINC000038012540 369140593 /nfs/dbraw/zinc/14/05/93/369140593.db2.gz ITLFEEAXLDQDMR-SNVBAGLBSA-N 0 3 267.170 3.403 20 30 CGEDHN CCN(Cc1cccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000048970452 369377794 /nfs/dbraw/zinc/37/77/94/369377794.db2.gz JTVXUDHKUNFNEH-INIZCTEOSA-N 0 3 286.400 3.175 20 30 CGEDHN C=CCOc1cccc(CN(C)CCSC)c1 ZINC000128206171 370961565 /nfs/dbraw/zinc/96/15/65/370961565.db2.gz UFZBUHZKQXWFAX-UHFFFAOYSA-N 0 3 251.395 3.046 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000062016379 369613775 /nfs/dbraw/zinc/61/37/75/369613775.db2.gz JZSYZMVNCNAKPT-VHSXEESVSA-N 0 3 250.729 3.019 20 30 CGEDHN C=CCC[C@H](NCCCc1cnn(C)c1)c1ccco1 ZINC000276429148 193327763 /nfs/dbraw/zinc/32/77/63/193327763.db2.gz IOGILTRNEWAAIQ-HNNXBMFYSA-N 0 3 273.380 3.243 20 30 CGEDHN C=CCCOCCN[C@H]1CCCOc2ccc(OC)cc21 ZINC000090883982 370069432 /nfs/dbraw/zinc/06/94/32/370069432.db2.gz RBUKZOMAHVLDKC-INIZCTEOSA-N 0 3 291.391 3.091 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(C#N)o1 ZINC000092042886 370089673 /nfs/dbraw/zinc/08/96/73/370089673.db2.gz MCBXSFSXXZFEJW-HUUCEWRRSA-N 0 3 276.380 3.177 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccc(C#N)o1 ZINC000092042887 370089969 /nfs/dbraw/zinc/08/99/69/370089969.db2.gz MCBXSFSXXZFEJW-LSDHHAIUSA-N 0 3 276.380 3.177 20 30 CGEDHN C=CCc1cc(CN2CCCCC2)cc(OC)c1O ZINC000092107067 370092631 /nfs/dbraw/zinc/09/26/31/370092631.db2.gz BRVHMDVKRUUMSA-UHFFFAOYSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCOc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000092648350 370100241 /nfs/dbraw/zinc/10/02/41/370100241.db2.gz GTNPYQXTNWDTHC-UHFFFAOYSA-N 0 3 297.402 3.285 20 30 CGEDHN C=CC1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000093359273 370119111 /nfs/dbraw/zinc/11/91/11/370119111.db2.gz KMRANADXZLFEQX-UHFFFAOYSA-N 0 3 261.365 3.102 20 30 CGEDHN Cc1cnc(CCN(C)Cc2cc(C#N)cs2)s1 ZINC000093807377 370160099 /nfs/dbraw/zinc/16/00/99/370160099.db2.gz HNUKQGYNPWAZIP-UHFFFAOYSA-N 0 3 277.418 3.059 20 30 CGEDHN CC(C)Oc1ccccc1C(=O)C(C#N)c1ccccn1 ZINC000106353729 370351417 /nfs/dbraw/zinc/35/14/17/370351417.db2.gz YPTNUMWSZKZJQH-CQSZACIVSA-N 0 3 280.327 3.359 20 30 CGEDHN C[C@@H]1[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCCN1C ZINC000513023626 245062393 /nfs/dbraw/zinc/06/23/93/245062393.db2.gz KIXOFCQECGCKQQ-ZWNOBZJWSA-N 0 3 297.324 3.472 20 30 CGEDHN CC(C)C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512619473 245043773 /nfs/dbraw/zinc/04/37/73/245043773.db2.gz MAWBYBZLJGWRHR-ZFWWWQNUSA-N 0 3 291.414 3.324 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)C1CCCC1 ZINC000133226543 371237796 /nfs/dbraw/zinc/23/77/96/371237796.db2.gz VZPXDEHNKKRUSP-UHFFFAOYSA-N 0 3 278.440 3.088 20 30 CGEDHN CCC(CC)CN(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000153883139 371795589 /nfs/dbraw/zinc/79/55/89/371795589.db2.gz KQBBAOWGMQKWBK-PBHICJAKSA-N 0 3 295.471 3.187 20 30 CGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000344061703 217032821 /nfs/dbraw/zinc/03/28/21/217032821.db2.gz BBHAODHFQFOTIV-UHFFFAOYSA-N 0 3 298.361 3.346 20 30 CGEDHN C=C[C@@H](CO)N[C@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000289991780 371872831 /nfs/dbraw/zinc/87/28/31/371872831.db2.gz YMGFEBKADASRHC-FUHWJXTLSA-N 0 3 285.387 3.436 20 30 CGEDHN C[C@H](N[C@@H](CCO)c1ccccc1)c1cccc(C#N)c1 ZINC000344140185 217070897 /nfs/dbraw/zinc/07/08/97/217070897.db2.gz OFKKZWHMJNGBBD-KSSFIOAISA-N 0 3 280.371 3.333 20 30 CGEDHN CC#CCCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000155982019 371956875 /nfs/dbraw/zinc/95/68/75/371956875.db2.gz PXKSFACLCZSYBR-SFHVURJKSA-N 0 3 271.404 3.124 20 30 CGEDHN C[C@H](CCn1cccn1)N[C@@H](CCC#N)c1ccccc1 ZINC000159134463 372108294 /nfs/dbraw/zinc/10/82/94/372108294.db2.gz SWNRGPXBIIKDRV-WBVHZDCISA-N 0 3 282.391 3.296 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000344188944 217090593 /nfs/dbraw/zinc/09/05/93/217090593.db2.gz LYYVIPJNTTXPOW-HOCLYGCPSA-N 0 3 295.386 3.076 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000425310223 372120633 /nfs/dbraw/zinc/12/06/33/372120633.db2.gz XRDRIXKWIKZHAS-KBPBESRZSA-N 0 3 292.423 3.427 20 30 CGEDHN C=CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000291163320 372130190 /nfs/dbraw/zinc/13/01/90/372130190.db2.gz MHKWIDPAQMRRSK-AWEZNQCLSA-N 0 3 285.309 3.389 20 30 CGEDHN CSC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000292892399 372240178 /nfs/dbraw/zinc/24/01/78/372240178.db2.gz ZEFWIBRIRMYMRL-NSHDSACASA-N 0 3 266.435 3.195 20 30 CGEDHN C=CCCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000292191306 372183512 /nfs/dbraw/zinc/18/35/12/372183512.db2.gz PCIMIJAORCLXBL-CQSZACIVSA-N 0 3 262.401 3.372 20 30 CGEDHN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1cccc(C#N)c1 ZINC000344292856 217136452 /nfs/dbraw/zinc/13/64/52/217136452.db2.gz PYTQLVVONOMLAD-SWLSCSKDSA-N 0 3 286.400 3.312 20 30 CGEDHN CC(C)N(CC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000428863409 372272824 /nfs/dbraw/zinc/27/28/24/372272824.db2.gz QALUGBCLLXAGBZ-HNNXBMFYSA-N 0 3 299.418 3.020 20 30 CGEDHN C=CCC(F)(F)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000293407987 372376346 /nfs/dbraw/zinc/37/63/46/372376346.db2.gz OVXPBDCLKDJOLT-UHFFFAOYSA-N 0 3 282.334 3.207 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc(OC)c(Cl)c1 ZINC000429714590 372378017 /nfs/dbraw/zinc/37/80/17/372378017.db2.gz LEYTUQQFWUHAPN-UHFFFAOYSA-N 0 3 296.842 3.288 20 30 CGEDHN CCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000430750875 372396255 /nfs/dbraw/zinc/39/62/55/372396255.db2.gz QEQCRFQVSUVIIJ-ZDUSSCGKSA-N 0 3 258.365 3.430 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000293789884 372483299 /nfs/dbraw/zinc/48/32/99/372483299.db2.gz UFIYECQOJIOBAZ-AWEZNQCLSA-N 0 3 295.448 3.041 20 30 CGEDHN C=CC[C@@H](C)NCc1c(Cl)cccc1N1CCOCC1 ZINC000293702454 372455954 /nfs/dbraw/zinc/45/59/54/372455954.db2.gz XEQHRQAOWBKVTK-CYBMUJFWSA-N 0 3 294.826 3.231 20 30 CGEDHN C[C@H](NCCSC(F)(F)F)c1ccc(C#N)cc1 ZINC000164490546 372521282 /nfs/dbraw/zinc/52/12/82/372521282.db2.gz GJWAPLNOXAOUMR-VIFPVBQESA-N 0 3 274.311 3.462 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000433124790 372581692 /nfs/dbraw/zinc/58/16/92/372581692.db2.gz FYGCUSLUGSDUCB-HOCLYGCPSA-N 0 3 293.370 3.031 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCC1CCCC1 ZINC000433219217 372583509 /nfs/dbraw/zinc/58/35/09/372583509.db2.gz HFWPACCWUIWLQZ-MRXNPFEDSA-N 0 3 270.376 3.065 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC(C1CC1)C1CC1 ZINC000433233439 372584304 /nfs/dbraw/zinc/58/43/04/372584304.db2.gz PFVKRZJMCIZDPV-INIZCTEOSA-N 0 3 282.387 3.064 20 30 CGEDHN CC[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433218446 372584382 /nfs/dbraw/zinc/58/43/82/372584382.db2.gz IJQILLJBSGVJED-WBVHZDCISA-N 0 3 284.403 3.408 20 30 CGEDHN CCC(C)(CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000433355292 372598559 /nfs/dbraw/zinc/59/85/59/372598559.db2.gz PDWBPVLQVHOVEG-OAHLLOKOSA-N 0 3 272.392 3.454 20 30 CGEDHN COc1ccc(CC[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000169280157 372628066 /nfs/dbraw/zinc/62/80/66/372628066.db2.gz UXESIHHTZXOJMV-CYBMUJFWSA-N 0 3 260.381 3.156 20 30 CGEDHN CC(C)CCOCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353381991 220053916 /nfs/dbraw/zinc/05/39/16/220053916.db2.gz HDLTWJGOWXKTLR-QGZVFWFLSA-N 0 3 272.392 3.198 20 30 CGEDHN C#CCOc1ccc(CNCc2ccsc2C)cc1 ZINC000295103090 372691783 /nfs/dbraw/zinc/69/17/83/372691783.db2.gz VFXMJDRBCIGMIL-UHFFFAOYSA-N 0 3 271.385 3.358 20 30 CGEDHN C=CCC[C@H](NC(=O)CN(C)CCC)c1ccccc1 ZINC000435720733 372797308 /nfs/dbraw/zinc/79/73/08/372797308.db2.gz CZHWHWLOGMNWMD-INIZCTEOSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000171725362 372816185 /nfs/dbraw/zinc/81/61/85/372816185.db2.gz XCHDTLRHYSLZIQ-UHFFFAOYSA-N 0 3 294.398 3.220 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNCC[C@@H]2CCOC2)cc1 ZINC000437776259 372856603 /nfs/dbraw/zinc/85/66/03/372856603.db2.gz QRPRVEPFFBFWPQ-CQSZACIVSA-N 0 3 297.320 3.073 20 30 CGEDHN CC1(C)CCC[C@](O)(CNCc2ccc(C#N)s2)C1 ZINC000438348248 372934183 /nfs/dbraw/zinc/93/41/83/372934183.db2.gz XFKHSBJLQLQZBU-OAHLLOKOSA-N 0 3 278.421 3.041 20 30 CGEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)o1 ZINC000438482776 372961811 /nfs/dbraw/zinc/96/18/11/372961811.db2.gz YVYBERVHSSRKHW-NSHDSACASA-N 0 3 260.259 3.218 20 30 CGEDHN CC(C)c1ncc(CN(C)CCCC(C)(C)C#N)cn1 ZINC000440478836 372985837 /nfs/dbraw/zinc/98/58/37/372985837.db2.gz DDMKEDVGFHAOBR-UHFFFAOYSA-N 0 3 274.412 3.362 20 30 CGEDHN CC1(C)C[C@@H](O)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000296209735 373053690 /nfs/dbraw/zinc/05/36/90/373053690.db2.gz VPWDUIDINWNKMO-INIZCTEOSA-N 0 3 291.822 3.174 20 30 CGEDHN CCCCCn1cc(CN[C@H]2CC[C@@H](C#N)C2)c(C)n1 ZINC000442829540 373099466 /nfs/dbraw/zinc/09/94/66/373099466.db2.gz PNGPHWQFIXXTSJ-ZBFHGGJFSA-N 0 3 274.412 3.164 20 30 CGEDHN CC[C@H](C)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000296267197 373072950 /nfs/dbraw/zinc/07/29/50/373072950.db2.gz YCYLVNCRCZDTGT-HNNXBMFYSA-N 0 3 290.838 3.108 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(N[C@@H]3CC[C@H](C#N)C3)cccc21 ZINC000443063805 373148648 /nfs/dbraw/zinc/14/86/48/373148648.db2.gz NUWOWXPPDHJSHP-WOSRLPQWSA-N 0 3 285.391 3.176 20 30 CGEDHN C=C1CCN(Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000297310101 373266132 /nfs/dbraw/zinc/26/61/32/373266132.db2.gz BSOVVLFVVIPAFL-MRXNPFEDSA-N 0 3 286.419 3.064 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C(C)C)C1 ZINC000444773914 373270105 /nfs/dbraw/zinc/27/01/05/373270105.db2.gz UALXRFKYHCSWMZ-OAHLLOKOSA-N 0 3 272.392 3.435 20 30 CGEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccccc1SC ZINC000298463580 373333698 /nfs/dbraw/zinc/33/36/98/373333698.db2.gz IEPCMPZHWASDDR-UHFFFAOYSA-N 0 3 290.432 3.081 20 30 CGEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000301063688 373644156 /nfs/dbraw/zinc/64/41/56/373644156.db2.gz BUHAEITZAOREBO-KRWDZBQOSA-N 0 3 283.350 3.412 20 30 CGEDHN N#Cc1cc2c(nc1NCCN1CCCCCC1)CCCC2 ZINC000301101906 373660857 /nfs/dbraw/zinc/66/08/57/373660857.db2.gz IIEMVMAEPBVHLS-UHFFFAOYSA-N 0 3 298.434 3.120 20 30 CGEDHN CC(C)c1nnc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000449208716 373670932 /nfs/dbraw/zinc/67/09/32/373670932.db2.gz SWLVLCGNIVJZOE-XIKARTHZSA-N 0 3 275.400 3.051 20 30 CGEDHN CC(C)c1nnc([C@@H](C)NC2CCC(C)(C#N)CC2)[nH]1 ZINC000449208716 373670936 /nfs/dbraw/zinc/67/09/36/373670936.db2.gz SWLVLCGNIVJZOE-XIKARTHZSA-N 0 3 275.400 3.051 20 30 CGEDHN C=CCOc1cccc(CNC[C@@H](CCC)OC)c1 ZINC000449374366 373684808 /nfs/dbraw/zinc/68/48/08/373684808.db2.gz AENOEWOIXXKNBI-MRXNPFEDSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177561124 373689854 /nfs/dbraw/zinc/68/98/54/373689854.db2.gz ZCBIYQZQTJDXFY-CWRNSKLLSA-N 0 3 297.402 3.007 20 30 CGEDHN N#CCCCOc1cccc(CN2CC[C@H]2C2CC2)c1 ZINC000449424778 373699027 /nfs/dbraw/zinc/69/90/27/373699027.db2.gz FYXCBLLUYYTCRC-KRWDZBQOSA-N 0 3 270.376 3.353 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000449522243 373821852 /nfs/dbraw/zinc/82/18/52/373821852.db2.gz UUZCIPSBAQWSIW-OLZOCXBDSA-N 0 3 271.282 3.139 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)cc(Cl)c1 ZINC000449549345 373830558 /nfs/dbraw/zinc/83/05/58/373830558.db2.gz WZXLUJQMJJAFDG-KGLIPLIRSA-N 0 3 269.747 3.302 20 30 CGEDHN CN(C)[C@@H](CNc1c(C#N)cccc1C#N)c1ccccc1 ZINC000302410715 373864149 /nfs/dbraw/zinc/86/41/49/373864149.db2.gz GRHKGXBXBZKONQ-KRWDZBQOSA-N 0 3 290.370 3.145 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1ccccc1)C(CC)CC ZINC000179789062 373916745 /nfs/dbraw/zinc/91/67/45/373916745.db2.gz UWIAYBNAYDPBMI-KRWDZBQOSA-N 0 3 274.408 3.056 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCCC1 ZINC000449803789 373932448 /nfs/dbraw/zinc/93/24/48/373932448.db2.gz MEYHJZWTCZFBJE-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC1(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CCCC1 ZINC000449803791 373933126 /nfs/dbraw/zinc/93/31/26/373933126.db2.gz MEYHJZWTCZFBJE-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CCCCC1 ZINC000449987080 373979893 /nfs/dbraw/zinc/97/98/93/373979893.db2.gz PRKDGAGGQVVNOG-HZPDHXFCSA-N 0 3 292.467 3.454 20 30 CGEDHN CC(C)(C)[C@@H](CO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000180633614 374030702 /nfs/dbraw/zinc/03/07/02/374030702.db2.gz YBHCQHMFAMUUAN-CQSZACIVSA-N 0 3 299.336 3.054 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H]([C@@H](C)O)C2)cc1Cl ZINC000180864625 374054738 /nfs/dbraw/zinc/05/47/38/374054738.db2.gz LVXXLOKFLQDVPM-OCCSQVGLSA-N 0 3 295.810 3.108 20 30 CGEDHN C[C@H](N[C@@H](CO)CC(C)(C)C)c1ccc(C#N)cc1F ZINC000305822324 374116481 /nfs/dbraw/zinc/11/64/81/374116481.db2.gz PIPJAAUUBPFVMM-WCQYABFASA-N 0 3 278.371 3.145 20 30 CGEDHN COCCC[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214529 374095383 /nfs/dbraw/zinc/09/53/83/374095383.db2.gz PPJDONIOTCUHOU-ZDUSSCGKSA-N 0 3 299.336 3.462 20 30 CGEDHN CCS[C@@H]1CC[C@H](N(C)CC2(C#N)CCC2)C1 ZINC000450457831 374144591 /nfs/dbraw/zinc/14/45/91/374144591.db2.gz SLISRUJUWFFWAV-QWHCGFSZSA-N 0 3 252.427 3.286 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1sc(C)nc1C ZINC000181766886 374166620 /nfs/dbraw/zinc/16/66/20/374166620.db2.gz KXDHMPAUWMOYBV-JTQLQIEISA-N 0 3 254.399 3.003 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000182644896 374303535 /nfs/dbraw/zinc/30/35/35/374303535.db2.gz YEHRGVJILPFYFT-XQLPTFJDSA-N 0 3 266.429 3.109 20 30 CGEDHN COc1cccc2c1CCN(CCCC(C)(C)C#N)C2 ZINC000182687279 374314911 /nfs/dbraw/zinc/31/49/11/374314911.db2.gz WKWBVXICEJGYBF-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN CCCN(C)CC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328614718 374371339 /nfs/dbraw/zinc/37/13/39/374371339.db2.gz WSQMKRDAFYRELP-NVXWUHKLSA-N 0 3 290.407 3.063 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000320366768 374351053 /nfs/dbraw/zinc/35/10/53/374351053.db2.gz IEVMXKAFKYYKCK-ZYHUDNBSSA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000320377723 374351061 /nfs/dbraw/zinc/35/10/61/374351061.db2.gz KLJQYJINRBHRQK-CMPLNLGQSA-N 0 3 271.763 3.457 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC(=O)NC2CCCC2)C12CCCC2 ZINC000329299600 374402316 /nfs/dbraw/zinc/40/23/16/374402316.db2.gz UZAHWPPDQLSZML-LSDHHAIUSA-N 0 3 294.439 3.213 20 30 CGEDHN CC1=CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000328778065 374382332 /nfs/dbraw/zinc/38/23/32/374382332.db2.gz DHGQJTYBMKCEAI-UHFFFAOYSA-N 0 3 275.377 3.250 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccccc2)cc1OC ZINC000184264115 374509632 /nfs/dbraw/zinc/50/96/32/374509632.db2.gz TZGMWJIXLFUNLP-SFHVURJKSA-N 0 3 297.398 3.389 20 30 CGEDHN C=CCN1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185383633 374651996 /nfs/dbraw/zinc/65/19/96/374651996.db2.gz NVYHDERLBXFMDB-AWEZNQCLSA-N 0 3 274.408 3.002 20 30 CGEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(C)C#N)CC2 ZINC000334540374 374835912 /nfs/dbraw/zinc/83/59/12/374835912.db2.gz VLFGJGVRUFPQRO-XHDPSFHLSA-N 0 3 256.349 3.073 20 30 CGEDHN CC[C@]1(C)CCCN(CCOc2ccccc2C#N)C1 ZINC000464781891 374899475 /nfs/dbraw/zinc/89/94/75/374899475.db2.gz WPDLFAZPLXVUKY-QGZVFWFLSA-N 0 3 272.392 3.449 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OCC ZINC000186703042 374902544 /nfs/dbraw/zinc/90/25/44/374902544.db2.gz JGDADHSDQUPXSG-YPMHNXCESA-N 0 3 283.799 3.326 20 30 CGEDHN CCC(CC)[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000469588983 374989940 /nfs/dbraw/zinc/98/99/40/374989940.db2.gz OSPCTWRIOCOLPD-WFASDCNBSA-N 0 3 258.365 3.440 20 30 CGEDHN CCC(CC)[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000469588982 374990232 /nfs/dbraw/zinc/99/02/32/374990232.db2.gz OSPCTWRIOCOLPD-SWLSCSKDSA-N 0 3 258.365 3.440 20 30 CGEDHN CC(C)C[C@@H](CO)N(C)CC#Cc1ccccc1Cl ZINC000481423336 375165824 /nfs/dbraw/zinc/16/58/24/375165824.db2.gz MUIUYCCPQMPNGH-HNNXBMFYSA-N 0 3 279.811 3.030 20 30 CGEDHN COCCN(CC#Cc1ccc(F)cc1)[C@@H]1CC[C@H](C)C1 ZINC000484871227 375188449 /nfs/dbraw/zinc/18/84/49/375188449.db2.gz MINVMXQZZAOYQP-MAUKXSAKSA-N 0 3 289.394 3.314 20 30 CGEDHN C=CCCCCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000487916131 375285027 /nfs/dbraw/zinc/28/50/27/375285027.db2.gz PZQGPWKYPJCEOY-VXGBXAGGSA-N 0 3 265.319 3.120 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Br)cc2)C1 ZINC000335630305 375335998 /nfs/dbraw/zinc/33/59/98/375335998.db2.gz FVCXOZZFCRKRCF-DGCLKSJQSA-N 0 3 279.181 3.231 20 30 CGEDHN CC1=C(c2ccco2)CN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000335767438 375413234 /nfs/dbraw/zinc/41/32/34/375413234.db2.gz MPMXVBCUSJCTKV-KGLIPLIRSA-N 0 3 256.349 3.451 20 30 CGEDHN CN(Cc1cc(C#N)cs1)CC1(O)CCCCCC1 ZINC000190140705 375480984 /nfs/dbraw/zinc/48/09/84/375480984.db2.gz ZLFBQNRCOPQUJV-UHFFFAOYSA-N 0 3 278.421 3.137 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000335998072 375605063 /nfs/dbraw/zinc/60/50/63/375605063.db2.gz LWGWNXVROKYMOW-KCJUWKMLSA-N 0 3 280.780 3.153 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000505842755 375662385 /nfs/dbraw/zinc/66/23/85/375662385.db2.gz PNIQOOXAKMLMCI-ZDUSSCGKSA-N 0 3 275.392 3.417 20 30 CGEDHN Cc1ccc([C@@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000510383044 375784904 /nfs/dbraw/zinc/78/49/04/375784904.db2.gz SNVFRBQKFLJGOF-YOEHRIQHSA-N 0 3 278.355 3.360 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2Cc3ccccc3C3(CC3)C2)C1 ZINC000336573653 375842578 /nfs/dbraw/zinc/84/25/78/375842578.db2.gz VCKBYBNXNXQKGP-HIFRSBDPSA-N 0 3 252.361 3.226 20 30 CGEDHN C=CCCC1(C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000526992554 375890857 /nfs/dbraw/zinc/89/08/57/375890857.db2.gz SMHURFMOSKOTJQ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCCCCC1 ZINC000533427475 375954877 /nfs/dbraw/zinc/95/48/77/375954877.db2.gz WVAJWVIYSZVEBM-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN C=C(C)COCCNCc1ccc(C)c(Cl)c1 ZINC000193737831 375916925 /nfs/dbraw/zinc/91/69/25/375916925.db2.gz WTHAGULHMPCFFG-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN C=C(C)CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532378904 375950963 /nfs/dbraw/zinc/95/09/63/375950963.db2.gz LZPQNHWDNZHIFI-ZDUSSCGKSA-N 0 3 253.386 3.006 20 30 CGEDHN Cc1nc(N[C@@H](C)CN2CCCCC2)c(Cl)cc1C#N ZINC000336833796 375996380 /nfs/dbraw/zinc/99/63/80/375996380.db2.gz OXMJPJSEGCNPBS-NSHDSACASA-N 0 3 292.814 3.201 20 30 CGEDHN C=CCN1CC[C@@H](N(C)[C@H](C)c2ccc(C)cc2C)C1=O ZINC000337129393 376089303 /nfs/dbraw/zinc/08/93/03/376089303.db2.gz IODCDZLUZUJJQD-NVXWUHKLSA-N 0 3 286.419 3.083 20 30 CGEDHN COc1nc2ccccc2cc1CNCCCCC#N ZINC000536538472 376094779 /nfs/dbraw/zinc/09/47/79/376094779.db2.gz SMLXGLSDTATQKD-UHFFFAOYSA-N 0 3 269.348 3.027 20 30 CGEDHN C=CCN1CC[C@H](N2CCCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000337184773 376121972 /nfs/dbraw/zinc/12/19/72/376121972.db2.gz OBFMPIHLZPWAIK-MSOLQXFVSA-N 0 3 298.430 3.309 20 30 CGEDHN C=CCCCN(C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000537635694 376187335 /nfs/dbraw/zinc/18/73/35/376187335.db2.gz MGSXFSWZUDBSMM-CYBMUJFWSA-N 0 3 275.392 3.417 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000538285686 376230379 /nfs/dbraw/zinc/23/03/79/376230379.db2.gz ILHONMRKOFYVIL-PMPSAXMXSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000538285670 376230511 /nfs/dbraw/zinc/23/05/11/376230511.db2.gz ILHONMRKOFYVIL-HRCADAONSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(OC)c(COC)c1 ZINC000222448035 376234655 /nfs/dbraw/zinc/23/46/55/376234655.db2.gz CEWSBNFAUJEPJV-CQSZACIVSA-N 0 3 293.407 3.085 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000338011214 376253628 /nfs/dbraw/zinc/25/36/28/376253628.db2.gz IDRFZULVMRNNLC-GMXABZIVSA-N 0 3 274.339 3.103 20 30 CGEDHN C=CCOc1ccc(CN(C)CC(C)(C)OC)cc1 ZINC000538827166 376274905 /nfs/dbraw/zinc/27/49/05/376274905.db2.gz MAJPKFWLMJKTFN-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN C=CCC[C@H](O)CN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000539887702 376346079 /nfs/dbraw/zinc/34/60/79/376346079.db2.gz UUMBJNVNGQXWTL-XEZPLFJOSA-N 0 3 277.383 3.460 20 30 CGEDHN C[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(C#N)cc1F ZINC000540976597 376411166 /nfs/dbraw/zinc/41/11/66/376411166.db2.gz QXFZMNNQWGALON-WFASDCNBSA-N 0 3 296.345 3.352 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H]2CCC[C@H]21 ZINC000227272458 376386553 /nfs/dbraw/zinc/38/65/53/376386553.db2.gz BMZFQCMWVJJSAZ-GDBMZVCRSA-N 0 3 270.376 3.331 20 30 CGEDHN COc1cc(CNCc2ccc(C)s2)ccc1C#N ZINC000234926808 376625164 /nfs/dbraw/zinc/62/51/64/376625164.db2.gz XAXGRBJFTXMICZ-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN COCc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000339074703 376662862 /nfs/dbraw/zinc/66/28/62/376662862.db2.gz SVXXDCGIFDYZSQ-UHFFFAOYSA-N 0 3 292.382 3.484 20 30 CGEDHN COCC1(C#N)CCN([C@@H]2C=CCCCCC2)CC1 ZINC000339176384 376727748 /nfs/dbraw/zinc/72/77/48/376727748.db2.gz WCHLSSDHQCSZTN-OAHLLOKOSA-N 0 3 262.397 3.127 20 30 CGEDHN CC[C@@H](O)CN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000264502003 190114718 /nfs/dbraw/zinc/11/47/18/190114718.db2.gz YCYKAJWWFUWUMH-LJQANCHMSA-N 0 3 294.398 3.331 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](CC3CC3)C2)ccc1F ZINC000339678570 376804970 /nfs/dbraw/zinc/80/49/70/376804970.db2.gz HYZGDQARJOFVAC-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000555414002 376855798 /nfs/dbraw/zinc/85/57/98/376855798.db2.gz ACVOKWLEXSOPHZ-UNEWFSDZSA-N 0 3 285.366 3.495 20 30 CGEDHN CN1CC[C@H](NCc2cc(C#N)cs2)[C@H]1c1ccccc1 ZINC000245617922 376869588 /nfs/dbraw/zinc/86/95/88/376869588.db2.gz DJBXTGJZUFRPLK-DLBZAZTESA-N 0 3 297.427 3.155 20 30 CGEDHN N#CC1(CCN2CCC(c3c[nH]cn3)CC2)CCCCC1 ZINC000556809913 376882410 /nfs/dbraw/zinc/88/24/10/376882410.db2.gz YKDKZGHRYUSNHU-UHFFFAOYSA-N 0 3 286.423 3.453 20 30 CGEDHN C=CCC[C@@H](NC[C@H](CO)Cc1ccco1)c1ccco1 ZINC000556859296 376889725 /nfs/dbraw/zinc/88/97/25/376889725.db2.gz SEFCFWKDVAEAMW-GDBMZVCRSA-N 0 3 289.375 3.321 20 30 CGEDHN N#Cc1csc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000340110017 376921437 /nfs/dbraw/zinc/92/14/37/376921437.db2.gz WEZYZWRMWGKLOH-OAHLLOKOSA-N 0 3 269.373 3.256 20 30 CGEDHN CC[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000340676653 377209107 /nfs/dbraw/zinc/20/91/07/377209107.db2.gz BYTVZSYMRFWFOF-AWEZNQCLSA-N 0 3 253.349 3.185 20 30 CGEDHN CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCS1 ZINC000247707288 377236434 /nfs/dbraw/zinc/23/64/34/377236434.db2.gz ZFPDRUFZPYMVMI-IUODEOHRSA-N 0 3 260.406 3.447 20 30 CGEDHN CC[C@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000563354930 377445479 /nfs/dbraw/zinc/44/54/79/377445479.db2.gz RQLBWZBZIVQVDU-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000248800126 377402018 /nfs/dbraw/zinc/40/20/18/377402018.db2.gz JOVBJMINIJTDKI-QRQLOZEOSA-N 0 3 297.446 3.495 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cncc(Br)c1 ZINC000567521939 377507406 /nfs/dbraw/zinc/50/74/06/377507406.db2.gz AOCGKEXGFAVHMS-JTQLQIEISA-N 0 3 269.186 3.461 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(C(C)(C)C)CC2)CCC1 ZINC000564788347 377478797 /nfs/dbraw/zinc/47/87/97/377478797.db2.gz WQOWAFOUJKENLC-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CC(C)N(C(=O)[C@@H](C)N1CCC(CCC#N)CC1)C(C)C ZINC000565300876 377485546 /nfs/dbraw/zinc/48/55/46/377485546.db2.gz AMHXWSIANDNFAX-OAHLLOKOSA-N 0 3 293.455 3.036 20 30 CGEDHN CC(C)[C@@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000568545272 377519536 /nfs/dbraw/zinc/51/95/36/377519536.db2.gz GDWUCHAJGBXOTI-BXUZGUMPSA-N 0 3 278.783 3.355 20 30 CGEDHN C=C(CC)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000568896240 377523516 /nfs/dbraw/zinc/52/35/16/377523516.db2.gz PMCKIYRVNLCXSN-UHFFFAOYSA-N 0 3 298.430 3.254 20 30 CGEDHN C[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CCN1C ZINC000090794957 249029596 /nfs/dbraw/zinc/02/95/96/249029596.db2.gz QZQLLSZCUOESOE-GXFFZTMASA-N 0 3 263.772 3.106 20 30 CGEDHN C[C@@]1(CNC[C@@H](C#N)CCC#N)C[C@H]1c1ccccc1 ZINC000568858181 377524055 /nfs/dbraw/zinc/52/40/55/377524055.db2.gz RHXDQPJJNXNRRL-PVAVHDDUSA-N 0 3 267.376 3.213 20 30 CGEDHN COC1([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)CCC1 ZINC000414312527 249123708 /nfs/dbraw/zinc/12/37/08/249123708.db2.gz WQJUMZFLIOYLCI-VXGBXAGGSA-N 0 3 276.355 3.306 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cc[nH]c2C(C)C)nc(C)n1 ZINC000574091183 377618833 /nfs/dbraw/zinc/61/88/33/377618833.db2.gz DEEVNJQOIIWCPP-ZDUSSCGKSA-N 0 3 282.347 3.035 20 30 CGEDHN C[C@H](CNCC1(C#N)CC1)c1cccc(Br)c1 ZINC000574137621 377624423 /nfs/dbraw/zinc/62/44/23/377624423.db2.gz MJUXQJOLNRKZHO-LLVKDONJSA-N 0 3 293.208 3.446 20 30 CGEDHN Cc1ccc(C[C@H](C)NC[C@H](C#N)CCC#N)c(C)c1 ZINC000574151496 377626673 /nfs/dbraw/zinc/62/66/73/377626673.db2.gz NPZUBDMZSKYVGV-HOTGVXAUSA-N 0 3 269.392 3.268 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000181311178 542218719 /nfs/dbraw/zinc/21/87/19/542218719.db2.gz FVBDOSGLIXUDRW-QGZVFWFLSA-N 0 3 285.387 3.087 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCCOC1 ZINC000342681813 377731068 /nfs/dbraw/zinc/73/10/68/377731068.db2.gz ROCJUNBSOGICOE-INIZCTEOSA-N 0 3 275.392 3.110 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2ccoc2C2CC2)nc(C)n1 ZINC000342640759 377706346 /nfs/dbraw/zinc/70/63/46/377706346.db2.gz XSTBZHVLZGOYNP-ZDUSSCGKSA-N 0 3 281.315 3.054 20 30 CGEDHN COCc1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000575177433 377758273 /nfs/dbraw/zinc/75/82/73/377758273.db2.gz AGUHNABKDSBGBT-UHFFFAOYSA-N 0 3 272.392 3.349 20 30 CGEDHN CCO[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C ZINC000342810295 377809118 /nfs/dbraw/zinc/80/91/18/377809118.db2.gz QHHKZCGGJVCCJO-JKSUJKDBSA-N 0 3 284.403 3.341 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)cc1F)N1CCCCC1 ZINC000342911245 377855870 /nfs/dbraw/zinc/85/58/70/377855870.db2.gz KWRNRUMFFLNWRM-UHFFFAOYSA-N 0 3 289.398 3.051 20 30 CGEDHN CN(CCC#N)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000263667888 377949158 /nfs/dbraw/zinc/94/91/58/377949158.db2.gz IWYSOEMAFDDPAZ-UHFFFAOYSA-N 0 3 295.386 3.032 20 30 CGEDHN CC[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)cn1 ZINC000343526967 378008233 /nfs/dbraw/zinc/00/82/33/378008233.db2.gz HLWOKYFNNFRVLN-MRXNPFEDSA-N 0 3 283.350 3.376 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](C)[C@@H](OC)C1 ZINC000343468174 377988267 /nfs/dbraw/zinc/98/82/67/377988267.db2.gz LKJBMUINQVLYIG-YOEHRIQHSA-N 0 3 275.392 3.108 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000343477347 377991684 /nfs/dbraw/zinc/99/16/84/377991684.db2.gz VTOQVPNYGSWSDO-OAHLLOKOSA-N 0 3 279.355 3.004 20 30 CGEDHN CCOc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000343719368 378073757 /nfs/dbraw/zinc/07/37/57/378073757.db2.gz RKTATYFBXVAGMQ-UHFFFAOYSA-N 0 3 272.373 3.308 20 30 CGEDHN C=CCC[C@H](O)CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000268589113 378077529 /nfs/dbraw/zinc/07/75/29/378077529.db2.gz VHQCUEURQQOVOI-INIZCTEOSA-N 0 3 289.419 3.165 20 30 CGEDHN C[C@@H](c1ccco1)N(C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268659699 378086938 /nfs/dbraw/zinc/08/69/38/378086938.db2.gz ITMPQQVXOUYRNG-SUMWQHHRSA-N 0 3 296.370 3.410 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccccc1Cl ZINC000268690535 378091515 /nfs/dbraw/zinc/09/15/15/378091515.db2.gz ZQUOATXEDAOGAF-RYUDHWBXSA-N 0 3 253.773 3.318 20 30 CGEDHN C=C(CNCc1cccc2c[nH]nc21)c1ccccc1 ZINC000343814238 378101269 /nfs/dbraw/zinc/10/12/69/378101269.db2.gz RBWUNNZIQBOCEJ-UHFFFAOYSA-N 0 3 263.344 3.366 20 30 CGEDHN Cc1c([C@@H](C)NCCCCC#N)nnn1-c1ccc(C)cc1 ZINC000268951255 378160453 /nfs/dbraw/zinc/16/04/53/378160453.db2.gz XTGYPHFFWJYYHU-CQSZACIVSA-N 0 3 297.406 3.229 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)/C=C/C(=C\C)CC)CC1 ZINC000268992758 378169068 /nfs/dbraw/zinc/16/90/68/378169068.db2.gz JYQFCSIEQFISRP-ZOLPSEADSA-N 0 3 276.424 3.056 20 30 CGEDHN N#Cc1ccc(CNCC2(C3CC3)CCC2)c(F)c1 ZINC000269760232 378264456 /nfs/dbraw/zinc/26/44/56/378264456.db2.gz AWVRGVAIMHTSMM-UHFFFAOYSA-N 0 3 258.340 3.367 20 30 CGEDHN CC(C)[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000582210506 378292647 /nfs/dbraw/zinc/29/26/47/378292647.db2.gz TYLSYPOZXZCBKS-NWDGAFQWSA-N 0 3 263.410 3.319 20 30 CGEDHN CC(C)CCOCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271915492 378516231 /nfs/dbraw/zinc/51/62/31/378516231.db2.gz CAHMCJJCTUDWTB-CYBMUJFWSA-N 0 3 278.371 3.411 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000271987831 378539932 /nfs/dbraw/zinc/53/99/32/378539932.db2.gz YKQYNMRVHRSGIZ-XHDPSFHLSA-N 0 3 264.344 3.019 20 30 CGEDHN C[C@@H](N[C@H](C)c1cccc(CO)c1)c1ccc(C#N)cc1 ZINC000271971376 378533605 /nfs/dbraw/zinc/53/36/05/378533605.db2.gz NGCZOFFALVKRAH-ZIAGYGMSSA-N 0 3 280.371 3.462 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000272621904 378678072 /nfs/dbraw/zinc/67/80/72/378678072.db2.gz UWEFCKXVBKBOTC-GOSISDBHSA-N 0 3 292.382 3.459 20 30 CGEDHN C=CCN(CCOC1CCC1)Cc1ccc(OC)cc1 ZINC000346834979 378692085 /nfs/dbraw/zinc/69/20/85/378692085.db2.gz ZGIFJEWAFYBIDO-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOCCCN(C)[C@H](C)c1sc(C)nc1C ZINC000348030068 378759583 /nfs/dbraw/zinc/75/95/83/378759583.db2.gz IEKKURYIKBJQAF-GFCCVEGCSA-N 0 3 268.426 3.345 20 30 CGEDHN C=CCOCCCN1CC2(CCCC2)OC(C)(C)C1 ZINC000348193467 378832097 /nfs/dbraw/zinc/83/20/97/378832097.db2.gz MVRYXUBTRRIDOM-UHFFFAOYSA-N 0 3 267.413 3.003 20 30 CGEDHN CC[C@H]1CCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000348158111 378817716 /nfs/dbraw/zinc/81/77/16/378817716.db2.gz KXSYUEVNGMHVPN-ZFWWWQNUSA-N 0 3 296.374 3.277 20 30 CGEDHN CC[C@H](C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348298433 378892454 /nfs/dbraw/zinc/89/24/54/378892454.db2.gz QFURKULINDVKCG-GRDNDAEWSA-N 0 3 297.402 3.181 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CCCCO1 ZINC000275112836 378938471 /nfs/dbraw/zinc/93/84/71/378938471.db2.gz WQOKJXDQKOOQRI-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN C=C(C)[C@H](NCCn1ccnc1C)c1ccc(F)c(F)c1 ZINC000274892634 378914576 /nfs/dbraw/zinc/91/45/76/378914576.db2.gz PZIIGSINJXEZCW-INIZCTEOSA-N 0 3 291.345 3.377 20 30 CGEDHN COCCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccccc1 ZINC000276697760 378981685 /nfs/dbraw/zinc/98/16/85/378981685.db2.gz AKCFPWRHRADHPA-HNNXBMFYSA-N 0 3 297.402 3.106 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCCC[C@@H]1C ZINC000347268703 218174713 /nfs/dbraw/zinc/17/47/13/218174713.db2.gz UPUPURZROIDYHH-ZDUSSCGKSA-N 0 3 258.365 3.331 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1F)[C@H]1COc2ccccc21 ZINC000348759518 379042992 /nfs/dbraw/zinc/04/29/92/379042992.db2.gz BGQZKXFZJJMCJE-MLGOLLRUSA-N 0 3 296.345 3.352 20 30 CGEDHN N#Cc1ccccc1OCCN[C@@H](c1cccnc1)C1CC1 ZINC000347374574 218211383 /nfs/dbraw/zinc/21/13/83/218211383.db2.gz WQFZSMSZHQDPJG-GOSISDBHSA-N 0 3 293.370 3.073 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)cc(Cl)c1N ZINC000639245070 379188230 /nfs/dbraw/zinc/18/82/30/379188230.db2.gz IDXDAIRZBXLVNO-NEPJUHHUSA-N 0 3 287.190 3.009 20 30 CGEDHN COc1cccc(OCCN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000266449027 190258299 /nfs/dbraw/zinc/25/82/99/190258299.db2.gz IXMVRUIAOKYQLZ-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccccc1SCC ZINC000349839222 379415897 /nfs/dbraw/zinc/41/58/97/379415897.db2.gz YUKYMJISAIXIKN-STQMWFEESA-N 0 3 265.422 3.386 20 30 CGEDHN Cc1oc(C#N)cc1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000280616961 379746254 /nfs/dbraw/zinc/74/62/54/379746254.db2.gz KOVUGTWIMBASTI-UHFFFAOYSA-N 0 3 297.358 3.082 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(F)ccc1F ZINC000280768842 379784554 /nfs/dbraw/zinc/78/45/54/379784554.db2.gz ZKFZFXXZUVZDPP-ABAIWWIYSA-N 0 3 267.319 3.036 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](C)NCc1nc(C#N)cs1 ZINC000352809742 379973511 /nfs/dbraw/zinc/97/35/11/379973511.db2.gz JCWPJWVZXCMOHP-RYUDHWBXSA-N 0 3 271.389 3.297 20 30 CGEDHN CCS[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000352809041 379973990 /nfs/dbraw/zinc/97/39/90/379973990.db2.gz FOEGYOLHNNJYME-PWSUYJOCSA-N 0 3 281.450 3.169 20 30 CGEDHN COc1ccc(CN2CCC(CCC#N)CC2)cc1OC ZINC000399325473 379938736 /nfs/dbraw/zinc/93/87/36/379938736.db2.gz JZDZKSNQJZBMCF-UHFFFAOYSA-N 0 3 288.391 3.220 20 30 CGEDHN Cc1cccc2[nH]cc(CCNCc3nc(C#N)cs3)c21 ZINC000352821219 379981834 /nfs/dbraw/zinc/98/18/34/379981834.db2.gz GVQOCDWPIPIEAY-UHFFFAOYSA-N 0 3 296.399 3.137 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000352837449 379992248 /nfs/dbraw/zinc/99/22/48/379992248.db2.gz AHRUTYJPPYXRKD-YNEHKIRRSA-N 0 3 275.421 3.463 20 30 CGEDHN Cc1ccc(C[C@H](C)NCc2nc(C#N)cs2)c(C)c1 ZINC000352842135 379996931 /nfs/dbraw/zinc/99/69/31/379996931.db2.gz AYDXWUVTVDUXDD-ZDUSSCGKSA-N 0 3 285.416 3.352 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1ccccc1F ZINC000353000256 380070583 /nfs/dbraw/zinc/07/05/83/380070583.db2.gz QZJCFANEBUPKQU-DOMZBBRYSA-N 0 3 251.345 3.051 20 30 CGEDHN N#Cc1ccnc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000283623089 380078182 /nfs/dbraw/zinc/07/81/82/380078182.db2.gz SSZXNCNCWWFRBQ-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN CCN1C[C@H](C)N(CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411428648 380146441 /nfs/dbraw/zinc/14/64/41/380146441.db2.gz QEQYIIHRYAACMN-CVEARBPZSA-N 0 3 277.456 3.265 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2n[nH]cc2c1 ZINC000353092158 380110933 /nfs/dbraw/zinc/11/09/33/380110933.db2.gz ROALNGFJNYOXRT-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN CCOC(=O)[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411139790 380130633 /nfs/dbraw/zinc/13/06/33/380130633.db2.gz SYIJRSQGTASWHH-OAHLLOKOSA-N 0 3 292.423 3.126 20 30 CGEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc2n[nH]cc2c1 ZINC000353198820 380163959 /nfs/dbraw/zinc/16/39/59/380163959.db2.gz IKYIGLGKWIPVSU-NSHDSACASA-N 0 3 294.333 3.424 20 30 CGEDHN COc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)CC2 ZINC000414175004 380198359 /nfs/dbraw/zinc/19/83/59/380198359.db2.gz YRBMYVCGKMHBDM-OAHLLOKOSA-N 0 3 258.365 3.212 20 30 CGEDHN CCCN1CCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000353974158 380258891 /nfs/dbraw/zinc/25/88/91/380258891.db2.gz RNYOAYRBWLTERX-UKRRQHHQSA-N 0 3 289.398 3.222 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccc(C)nn1 ZINC000414540746 380309111 /nfs/dbraw/zinc/30/91/11/380309111.db2.gz VCIJANSMYIPDDQ-INIZCTEOSA-N 0 3 267.376 3.062 20 30 CGEDHN N#Cc1cccc(CN2CCSC[C@H]2C2CCC2)c1 ZINC000418131094 380709092 /nfs/dbraw/zinc/70/90/92/380709092.db2.gz VYSFVZFVSKRUFT-INIZCTEOSA-N 0 3 272.417 3.276 20 30 CGEDHN N#Cc1csc(CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000334747044 207008033 /nfs/dbraw/zinc/00/80/33/207008033.db2.gz JTECPQYQLGHDSB-CQSZACIVSA-N 0 3 278.446 3.339 20 30 CGEDHN CC1(C)CCC[C@@](O)(CNCc2ccc(C#N)c(F)c2)C1 ZINC000421390763 380937456 /nfs/dbraw/zinc/93/74/56/380937456.db2.gz MPPZTIMOEXRGIL-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H](C)c2ccc(F)cc2)n1 ZINC000279343768 194392926 /nfs/dbraw/zinc/39/29/26/194392926.db2.gz FHTOBLCDFFHEOV-OAHLLOKOSA-N 0 3 299.393 3.281 20 30 CGEDHN C=C(CC)CN(CC)C[C@@H]1COc2ccccc2O1 ZINC000358624784 381319159 /nfs/dbraw/zinc/31/91/59/381319159.db2.gz IASZVYRUCUVPER-CQSZACIVSA-N 0 3 261.365 3.115 20 30 CGEDHN Cn1ccc(C(=O)C(C#N)c2nccc3ccccc32)c1 ZINC000361532821 381789135 /nfs/dbraw/zinc/78/91/35/381789135.db2.gz ZLXWMGYTMYQLAB-OAHLLOKOSA-N 0 3 275.311 3.063 20 30 CGEDHN N#Cc1cccc(NC(=O)CN(CC2CC2)CC2CCC2)c1 ZINC000361556604 381800857 /nfs/dbraw/zinc/80/08/57/381800857.db2.gz JADRCDFGVVYZCX-UHFFFAOYSA-N 0 3 297.402 3.009 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)OC ZINC000361573687 381812391 /nfs/dbraw/zinc/81/23/91/381812391.db2.gz NDLLQRJCBQEIFJ-LLVKDONJSA-N 0 3 298.333 3.016 20 30 CGEDHN COC1CC(N(C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000352230973 533032004 /nfs/dbraw/zinc/03/20/04/533032004.db2.gz NNMMGRXALUJVKN-UHFFFAOYSA-N 0 3 272.392 3.097 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000335367205 208288136 /nfs/dbraw/zinc/28/81/36/208288136.db2.gz DIPXWOMPSNRNJQ-RHSMWYFYSA-N 0 3 288.366 3.088 20 30 CGEDHN CCC[C@]1(CO)CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000288784360 197165604 /nfs/dbraw/zinc/16/56/04/197165604.db2.gz KQTDAXATUUROJO-PBHICJAKSA-N 0 3 272.392 3.104 20 30 CGEDHN C=CCOCCNCc1cc(F)cc(C(F)(F)F)c1 ZINC000311808933 542430715 /nfs/dbraw/zinc/43/07/15/542430715.db2.gz CXTUZMIMRFVMRP-UHFFFAOYSA-N 0 3 277.261 3.137 20 30 CGEDHN CO[C@](C)(CN[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000361007937 533339577 /nfs/dbraw/zinc/33/95/77/533339577.db2.gz CEKLTWPDCPSTST-BDJLRTHQSA-N 0 3 276.355 3.163 20 30 CGEDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000358574062 533410247 /nfs/dbraw/zinc/41/02/47/533410247.db2.gz RLXJGPYLLPZEPC-CJNGLKHVSA-N 0 3 298.361 3.124 20 30 CGEDHN COc1cccc(OC)c1CNCC1CCC(C#N)CC1 ZINC000352855254 533630158 /nfs/dbraw/zinc/63/01/58/533630158.db2.gz BWNLRFSHPOYEKH-UHFFFAOYSA-N 0 3 288.391 3.123 20 30 CGEDHN COc1ccc([C@@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 ZINC000190704387 130137838 /nfs/dbraw/zinc/13/78/38/130137838.db2.gz WXTJLEUNAGTTCJ-SFHVURJKSA-N 0 3 297.402 3.392 20 30 CGEDHN CC[C@H](NCC#CCOC)c1ccc(Cl)s1 ZINC000390620754 542611241 /nfs/dbraw/zinc/61/12/41/542611241.db2.gz IKGNXZCMNVQSTL-JTQLQIEISA-N 0 3 257.786 3.092 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000191274757 130213345 /nfs/dbraw/zinc/21/33/45/130213345.db2.gz HQNRAYRXLLEHFS-UHFFFAOYSA-N 0 3 279.387 3.127 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@H](C)CCOC ZINC000411181169 542630157 /nfs/dbraw/zinc/63/01/57/542630157.db2.gz UCJLACRFRRNQQG-CQSZACIVSA-N 0 3 263.381 3.108 20 30 CGEDHN C#CCCN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285218022 392318611 /nfs/dbraw/zinc/31/86/11/392318611.db2.gz FDGOVHDYHVODND-UHFFFAOYSA-N 0 3 271.282 3.083 20 30 CGEDHN CC(C)CC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000361268963 392273687 /nfs/dbraw/zinc/27/36/87/392273687.db2.gz YFGGQOJSJNCTNW-GOSISDBHSA-N 0 3 286.419 3.320 20 30 CGEDHN C=CCC[C@H](NC[C@]1(N(C)C)CCSC1)c1ccco1 ZINC000286190876 392379539 /nfs/dbraw/zinc/37/95/39/392379539.db2.gz RHSHRSFSRLHYDX-GOEBONIOSA-N 0 3 294.464 3.314 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121206709 392411308 /nfs/dbraw/zinc/41/13/08/392411308.db2.gz RXPIYJIWLIULQA-MRXNPFEDSA-N 0 3 297.402 3.354 20 30 CGEDHN C=CCCCNCc1cn2ccc(Br)cc2n1 ZINC000289488136 392422324 /nfs/dbraw/zinc/42/23/24/392422324.db2.gz KSYLOYJZYSVACO-UHFFFAOYSA-N 0 3 294.196 3.153 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000289602749 392426453 /nfs/dbraw/zinc/42/64/53/392426453.db2.gz CQZWTTQACDYMMG-MAUKXSAKSA-N 0 3 297.398 3.463 20 30 CGEDHN C=C[C@H](CO)N[C@H](CC)c1ccc(OCC)c(OCC)c1 ZINC000289747193 392431707 /nfs/dbraw/zinc/43/17/07/392431707.db2.gz KWPJBIRMSWBRIQ-HUUCEWRRSA-N 0 3 293.407 3.072 20 30 CGEDHN C#C[C@@H](NCc1c(C)nn(CCC)c1C)C(C)(C)C ZINC000290195267 392442206 /nfs/dbraw/zinc/44/22/06/392442206.db2.gz PBBWURRKTWTACS-OAHLLOKOSA-N 0 3 261.413 3.047 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290366837 392446159 /nfs/dbraw/zinc/44/61/59/392446159.db2.gz GUGYQYZCZQTMFD-CJNGLKHVSA-N 0 3 292.398 3.147 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccccc1[N+](=O)[O-] ZINC000135150858 392472786 /nfs/dbraw/zinc/47/27/86/392472786.db2.gz QZUOALQUCODTLM-UHFFFAOYSA-N 0 3 261.325 3.014 20 30 CGEDHN C[C@@H]1c2ccccc2CCN1CCCSCC#N ZINC000173890051 392630400 /nfs/dbraw/zinc/63/04/00/392630400.db2.gz HBXNABLBAFSTQZ-CYBMUJFWSA-N 0 3 260.406 3.253 20 30 CGEDHN N#CCSCCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000173874280 392630827 /nfs/dbraw/zinc/63/08/27/392630827.db2.gz HLTYUWSHEKSVFJ-UHFFFAOYSA-N 0 3 285.416 3.170 20 30 CGEDHN C[C@H](c1cccc(O)c1)N(C)CCCSCC#N ZINC000174157798 392637010 /nfs/dbraw/zinc/63/70/10/392637010.db2.gz QNEMVRVTCUWIBK-GFCCVEGCSA-N 0 3 264.394 3.032 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCS[C@H](C)CC1 ZINC000192178082 392840232 /nfs/dbraw/zinc/84/02/32/392840232.db2.gz ZNWWRCTYRWHGDI-CYBMUJFWSA-N 0 3 260.406 3.194 20 30 CGEDHN Cc1ccn(-c2ccccc2CN[C@H]2CCC[C@@H](C#N)C2)n1 ZINC000193026823 392868157 /nfs/dbraw/zinc/86/81/57/392868157.db2.gz FCSURBPRRRCACV-WBVHZDCISA-N 0 3 294.402 3.353 20 30 CGEDHN COC(=O)C(C)(C)CCN[C@H](CCC#N)c1ccccc1 ZINC000338567937 392921086 /nfs/dbraw/zinc/92/10/86/392921086.db2.gz LEWZSACBGMVIDO-OAHLLOKOSA-N 0 3 288.391 3.210 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000338722268 392925904 /nfs/dbraw/zinc/92/59/04/392925904.db2.gz RILQNKXRRUIATP-RNCFNFMXSA-N 0 3 296.292 3.432 20 30 CGEDHN C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000459416208 392944241 /nfs/dbraw/zinc/94/42/41/392944241.db2.gz UQHGZMJPSSAYGO-XPKDYRNWSA-N 0 3 299.374 3.477 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(OC)cc1 ZINC000339064208 392943087 /nfs/dbraw/zinc/94/30/87/392943087.db2.gz SVUAARWOJGUNNZ-XPKDYRNWSA-N 0 3 258.365 3.428 20 30 CGEDHN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000527998260 392962920 /nfs/dbraw/zinc/96/29/20/392962920.db2.gz LAGSGQGERWXZMK-WQVCFCJDSA-N 0 3 258.365 3.165 20 30 CGEDHN CC[C@H](C)N1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411794527 392988111 /nfs/dbraw/zinc/98/81/11/392988111.db2.gz PSIITAVSDPIUKI-INIZCTEOSA-N 0 3 277.456 3.267 20 30 CGEDHN CCn1cc([C@H](C)NCCC2(C#N)CCCCC2)cn1 ZINC000411798868 392988969 /nfs/dbraw/zinc/98/89/69/392988969.db2.gz JTOCIALVYWEQHE-AWEZNQCLSA-N 0 3 274.412 3.418 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000533446890 392996121 /nfs/dbraw/zinc/99/61/21/392996121.db2.gz WSZBLCDBMGOTOP-FUHWJXTLSA-N 0 3 280.346 3.418 20 30 CGEDHN CCN(Cc1cccc(C(=O)OC)c1C#N)[C@H](C)C(C)C ZINC000534486681 392999205 /nfs/dbraw/zinc/99/92/05/392999205.db2.gz IKFIAIRBDDARIY-CYBMUJFWSA-N 0 3 288.391 3.211 20 30 CGEDHN CC#CCCCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000412556918 393003132 /nfs/dbraw/zinc/00/31/32/393003132.db2.gz GZNPVXXAPAFNPI-UHFFFAOYSA-N 0 3 276.355 3.019 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412560626 393004295 /nfs/dbraw/zinc/00/42/95/393004295.db2.gz QIADUUQYEOXLKH-GFCCVEGCSA-N 0 3 278.371 3.428 20 30 CGEDHN COCC1(C#N)CCN(C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000342843412 393011266 /nfs/dbraw/zinc/01/12/66/393011266.db2.gz RCJAMOCDJHLVLU-CQSZACIVSA-N 0 3 290.382 3.181 20 30 CGEDHN C[C@H]1CC(C)(C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000413968278 393035894 /nfs/dbraw/zinc/03/58/94/393035894.db2.gz ARMYBGUHHSVOLS-HOCLYGCPSA-N 0 3 284.403 3.406 20 30 CGEDHN CC(C)C[C@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000466676087 393046803 /nfs/dbraw/zinc/04/68/03/393046803.db2.gz DQZDUULZHUVNNO-QGZVFWFLSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CCCCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000349340785 393144927 /nfs/dbraw/zinc/14/49/27/393144927.db2.gz IMUQRYCOKJBPLD-GFCCVEGCSA-N 0 3 299.411 3.236 20 30 CGEDHN COC[C@H](C)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356050569 393353867 /nfs/dbraw/zinc/35/38/67/393353867.db2.gz FXWUAAXQMAIASK-JTQLQIEISA-N 0 3 286.297 3.044 20 30 CGEDHN CCOC[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356406307 393437176 /nfs/dbraw/zinc/43/71/76/393437176.db2.gz FNTFHRUQAHJUPQ-SNVBAGLBSA-N 0 3 286.297 3.092 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000359306905 393543603 /nfs/dbraw/zinc/54/36/03/393543603.db2.gz NDZOFFGBTIHQLM-KGLIPLIRSA-N 0 3 270.376 3.163 20 30 CGEDHN Cc1cc(CN2CCS[C@@H](C(C)C)C2)ccc1C#N ZINC000488459323 393522156 /nfs/dbraw/zinc/52/21/56/393522156.db2.gz IZWIJIVLAQBSDH-MRXNPFEDSA-N 0 3 274.433 3.440 20 30 CGEDHN C=CCN(CC=C)C(=O)CNC1(c2ccccc2C)CCC1 ZINC000649646080 393523634 /nfs/dbraw/zinc/52/36/34/393523634.db2.gz RQDYEZMCHPPYJX-UHFFFAOYSA-N 0 3 298.430 3.164 20 30 CGEDHN C=C[C@@H]1CCCCN1CCCOc1cccc(C#N)c1 ZINC000489507192 393601971 /nfs/dbraw/zinc/60/19/71/393601971.db2.gz IFOJFXSYLFMFHR-MRXNPFEDSA-N 0 3 270.376 3.368 20 30 CGEDHN CCCCCCCN1CCCN(C(=O)C(C)C)CC1 ZINC000361168414 393691979 /nfs/dbraw/zinc/69/19/79/393691979.db2.gz KBKYRDXWRMWMEK-UHFFFAOYSA-N 0 3 268.445 3.147 20 30 CGEDHN Cc1cc(CN[C@H](C)CC(F)(F)F)ccc1C#N ZINC000443987113 393779243 /nfs/dbraw/zinc/77/92/43/393779243.db2.gz JPUDCKUHVKPCQY-SNVBAGLBSA-N 0 3 256.271 3.297 20 30 CGEDHN CC(C)[C@H]1CN(Cc2cnc3ccc(C#N)cn23)[C@H]1C(C)C ZINC000449559800 393902659 /nfs/dbraw/zinc/90/26/59/393902659.db2.gz ZEXBDQVTWAPCGR-AEFFLSMTSA-N 0 3 296.418 3.318 20 30 CGEDHN CC[C@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1OC ZINC000501212160 393848812 /nfs/dbraw/zinc/84/88/12/393848812.db2.gz VJWYIGYWOIOQKG-WFASDCNBSA-N 0 3 258.365 3.187 20 30 CGEDHN CCc1cc(N(C)CCOCc2ccc(C#N)cc2)ccn1 ZINC000450525572 394010654 /nfs/dbraw/zinc/01/06/54/394010654.db2.gz BWAPJCUXYYBRJX-UHFFFAOYSA-N 0 3 295.386 3.169 20 30 CGEDHN Cc1ccc(CCN[C@@H](C)c2ccc(C#N)cc2F)nc1 ZINC000453412132 394238086 /nfs/dbraw/zinc/23/80/86/394238086.db2.gz HLQIKHNIEANIJN-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000453617930 394259598 /nfs/dbraw/zinc/25/95/98/394259598.db2.gz UEVNLJLRLWVBNR-RDJZCZTQSA-N 0 3 282.391 3.120 20 30 CGEDHN C=CCC1(CNC(=O)Nc2cccc(CN)c2)CCCC1 ZINC000667732962 542923289 /nfs/dbraw/zinc/92/32/89/542923289.db2.gz XLVCICFCSSEVEH-UHFFFAOYSA-N 0 3 287.407 3.403 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2nn(C)c3ccccc23)C1 ZINC000668493630 543020432 /nfs/dbraw/zinc/02/04/32/543020432.db2.gz PXWIUMBCSHRTJF-CQSZACIVSA-N 0 3 269.392 3.361 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cccc3nccn32)C1 ZINC000668493675 543020506 /nfs/dbraw/zinc/02/05/06/543020506.db2.gz QHENEVVLGUTHOG-AWEZNQCLSA-N 0 3 255.365 3.122 20 30 CGEDHN CCC#C[C@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694678 543118647 /nfs/dbraw/zinc/11/86/47/543118647.db2.gz DCHVLGXFJFFXTC-HOTGVXAUSA-N 0 3 285.435 3.201 20 30 CGEDHN COCC#CCN1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000671722795 543180986 /nfs/dbraw/zinc/18/09/86/543180986.db2.gz WQOIXOPFERGYRD-WBVHZDCISA-N 0 3 257.377 3.109 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C/C(C)(C)C)C(C)C ZINC000735054579 572699146 /nfs/dbraw/zinc/69/91/46/572699146.db2.gz UQJHKROWCMKINF-OFAQMXQXSA-N 0 3 292.467 3.404 20 30 CGEDHN C=CCCCN(C)Cc1ccc(Br)o1 ZINC000117872986 397655675 /nfs/dbraw/zinc/65/56/75/397655675.db2.gz UKNFIUHDLRQYLW-UHFFFAOYSA-N 0 3 258.159 3.440 20 30 CGEDHN C=CC[C@@H](CC)NCc1ncc(Br)s1 ZINC000308567958 397681638 /nfs/dbraw/zinc/68/16/38/397681638.db2.gz BEQAAFKSWZFCCI-MRVPVSSYSA-N 0 3 275.215 3.350 20 30 CGEDHN C=CCC[C@@H](O)CNC1(c2ccc(F)cc2)CCC1 ZINC000675493948 543343916 /nfs/dbraw/zinc/34/39/16/543343916.db2.gz HRPOWXPCCFCPHL-OAHLLOKOSA-N 0 3 263.356 3.122 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000678745453 543553329 /nfs/dbraw/zinc/55/33/29/543553329.db2.gz QVSYZWRFVHPUJT-ZIAGYGMSSA-N 0 3 284.403 3.488 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000072745018 165075678 /nfs/dbraw/zinc/07/56/78/165075678.db2.gz BIOMDMRZJYYVDD-IAGOWNOFSA-N 0 3 280.375 3.028 20 30 CGEDHN CCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833217 165189428 /nfs/dbraw/zinc/18/94/28/165189428.db2.gz LEUHAYHOUMBCLU-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CC(C)C[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093716482 165334219 /nfs/dbraw/zinc/33/42/19/165334219.db2.gz XASYGQFBJVQALS-HNNXBMFYSA-N 0 3 296.418 3.464 20 30 CGEDHN C=CCNC(=S)Nc1ccc(CN2CCCCC2)cc1 ZINC000006295824 170188931 /nfs/dbraw/zinc/18/89/31/170188931.db2.gz MYDWEQCEJYCPPB-UHFFFAOYSA-N 0 3 289.448 3.145 20 30 CGEDHN Cc1cccc(CCCNCc2ccc(C#N)cc2F)n1 ZINC000285547786 196323610 /nfs/dbraw/zinc/32/36/10/196323610.db2.gz MACZFBAFKAYKIH-UHFFFAOYSA-N 0 3 283.350 3.123 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1CCCCC1 ZINC000219617503 416521127 /nfs/dbraw/zinc/52/11/27/416521127.db2.gz UAFTYKVKFPTADD-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCOCCNCc1cnc(-c2cccs2)s1 ZINC000679486424 543640424 /nfs/dbraw/zinc/64/04/24/543640424.db2.gz LJXRWSYDFMYDHS-UHFFFAOYSA-N 0 3 280.418 3.164 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000679576576 543647808 /nfs/dbraw/zinc/64/78/08/543647808.db2.gz POCVQKCPDPPQGJ-NSHDSACASA-N 0 3 299.798 3.210 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(CCCn2ccnc2)CC1 ZINC000679953892 543670037 /nfs/dbraw/zinc/67/00/37/543670037.db2.gz ZIYVNFWPGCGVHI-MRXNPFEDSA-N 0 3 273.424 3.177 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](OC)CC1 ZINC000680003609 543674837 /nfs/dbraw/zinc/67/48/37/543674837.db2.gz IOOLXTXKWHPXDF-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000349830721 226861234 /nfs/dbraw/zinc/86/12/34/226861234.db2.gz RABGZULKWZIJCA-JQWIXIFHSA-N 0 3 284.281 3.367 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(C(F)F)cc2)C1 ZINC000354640477 227054393 /nfs/dbraw/zinc/05/43/93/227054393.db2.gz VJGTUFVRSLUZEI-AAEUAGOBSA-N 0 3 250.292 3.406 20 30 CGEDHN Cc1cccc2nc(CN[C@@H]3CCC[C@H](C#N)C3)[nH]c21 ZINC000336628795 227220656 /nfs/dbraw/zinc/22/06/56/227220656.db2.gz MZTNNEKPDOQSOC-QWHCGFSZSA-N 0 3 268.364 3.043 20 30 CGEDHN N#Cc1cccc(CN[C@@H](CCO)C2CCCCC2)c1F ZINC000355011937 227310380 /nfs/dbraw/zinc/31/03/80/227310380.db2.gz MKSQFUOAVQGHQE-INIZCTEOSA-N 0 3 290.382 3.118 20 30 CGEDHN C=CCCCCCN(C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659947032 419042717 /nfs/dbraw/zinc/04/27/17/419042717.db2.gz LKLBQCGJQYRLNB-BZUAXINKSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN(Cc1cccc(OC(F)F)c1)[C@H](C)COC ZINC000661242174 419244828 /nfs/dbraw/zinc/24/48/28/419244828.db2.gz HXHLVQWBAOCJDB-GFCCVEGCSA-N 0 3 285.334 3.311 20 30 CGEDHN C=CC[C@H]1CCCN(CCOCC(F)(F)C(F)F)C1 ZINC000661386907 419256746 /nfs/dbraw/zinc/25/67/46/419256746.db2.gz WFXFQGHNLHLKSR-NSHDSACASA-N 0 3 283.309 3.192 20 30 CGEDHN C=CC[C@H](C)NCc1cc(F)ccc1OC(F)F ZINC000657363837 419260723 /nfs/dbraw/zinc/26/07/23/419260723.db2.gz PXCLUFJMCUKGDZ-VIFPVBQESA-N 0 3 259.271 3.481 20 30 CGEDHN C=CCN(Cc1cccc(C(=O)N(C)C)c1)C(C)(C)C ZINC000661755601 419295479 /nfs/dbraw/zinc/29/54/79/419295479.db2.gz VOICVINCXKGESU-UHFFFAOYSA-N 0 3 274.408 3.175 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCCC23CCCCC3)nn1 ZINC000657536497 419301246 /nfs/dbraw/zinc/30/12/46/419301246.db2.gz KQCCMJLKQGKFBG-INIZCTEOSA-N 0 3 288.439 3.447 20 30 CGEDHN C=CCC1(NCc2nnc(C3CC3)n2C2CC2)CCCC1 ZINC000661852050 419304835 /nfs/dbraw/zinc/30/48/35/419304835.db2.gz IVMDSHMHPBJUFK-UHFFFAOYSA-N 0 3 286.423 3.469 20 30 CGEDHN C=CCCC1(CNCc2cn(C(C)C)nn2)CCCC1 ZINC000657567163 419307249 /nfs/dbraw/zinc/30/72/49/419307249.db2.gz LGALRUUCSFOVEM-UHFFFAOYSA-N 0 3 276.428 3.475 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661872365 419310090 /nfs/dbraw/zinc/31/00/90/419310090.db2.gz APLLMMSHRHDBKE-OALUTQOASA-N 0 3 283.415 3.319 20 30 CGEDHN C=CCC1(NCc2cn3cccc(F)c3n2)CCCC1 ZINC000657703318 419330395 /nfs/dbraw/zinc/33/03/95/419330395.db2.gz WRYYXCAZKPERLN-UHFFFAOYSA-N 0 3 273.355 3.452 20 30 CGEDHN C=CCOCCCNCc1ccc(C)cc1Cl ZINC000657658774 419320537 /nfs/dbraw/zinc/32/05/37/419320537.db2.gz DQMFBUMRRSGIMW-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2ccc(F)c(C)c2)nc(C)n1 ZINC000352274223 228212345 /nfs/dbraw/zinc/21/23/45/228212345.db2.gz SEEGJVLUCKGMAZ-CYBMUJFWSA-N 0 3 283.306 3.031 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)c1cccc2c1CNC2 ZINC000662457458 419440020 /nfs/dbraw/zinc/44/00/20/419440020.db2.gz OLESWJHISSEJIG-UHFFFAOYSA-N 0 3 298.430 3.498 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(C(F)F)nc1 ZINC000657927778 419445018 /nfs/dbraw/zinc/44/50/18/419445018.db2.gz RMQJNXJUQKYHNH-LLVKDONJSA-N 0 3 270.323 3.263 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2c1CCNC2 ZINC000662843706 419495277 /nfs/dbraw/zinc/49/52/77/419495277.db2.gz UWGBOCCMSOFDKW-RDTXWAMCSA-N 0 3 298.430 3.197 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000658104632 419584442 /nfs/dbraw/zinc/58/44/42/419584442.db2.gz AZOZYACXJLLWHW-GDBMZVCRSA-N 0 3 286.419 3.299 20 30 CGEDHN C=CCCN[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000658115434 419589113 /nfs/dbraw/zinc/58/91/13/419589113.db2.gz CFJWXBFJRDBTAL-LLVKDONJSA-N 0 3 290.798 3.456 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nccc(OC)c1F ZINC000658225499 419684957 /nfs/dbraw/zinc/68/49/57/419684957.db2.gz UFIGNBFGYFWDOL-QWHCGFSZSA-N 0 3 278.371 3.454 20 30 CGEDHN Cc1cc(CN2CCC(C#N)CC2)c2ccccc2n1 ZINC000080121275 260178373 /nfs/dbraw/zinc/17/83/73/260178373.db2.gz INGLRDCCDJVKJQ-UHFFFAOYSA-N 0 3 265.360 3.279 20 30 CGEDHN C=CCSCCNCc1cccc(OC(C)C)c1 ZINC000222057002 260229248 /nfs/dbraw/zinc/22/92/48/260229248.db2.gz MRMUHUZXIFVNDY-UHFFFAOYSA-N 0 3 265.422 3.483 20 30 CGEDHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248894137 261212116 /nfs/dbraw/zinc/21/21/16/261212116.db2.gz SXXKYZBGCGYBQU-BJJXKVORSA-N 0 3 285.391 3.378 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccccc2CCC=C)CC1 ZINC000491192114 261365588 /nfs/dbraw/zinc/36/55/88/261365588.db2.gz LGWXLMDDWCRLHH-UHFFFAOYSA-N 0 3 296.414 3.089 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(N3CCCCC3)c2)C1 ZINC000185712112 262067670 /nfs/dbraw/zinc/06/76/70/262067670.db2.gz WKKDXWJXTFIQIA-DOTOQJQBSA-N 0 3 298.434 3.244 20 30 CGEDHN Cn1cc(CN[C@H]2CCC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000193278075 262219314 /nfs/dbraw/zinc/21/93/14/262219314.db2.gz JGIQQXHBNXVOLY-YOEHRIQHSA-N 0 3 294.402 3.259 20 30 CGEDHN C=CC1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000111257975 262258023 /nfs/dbraw/zinc/25/80/23/262258023.db2.gz SJZVFMPVAMXJDL-UHFFFAOYSA-N 0 3 298.430 3.076 20 30 CGEDHN C[C@H]1N(CCCCC(C)(C)C#N)CCOC1(C)C ZINC000336784806 262394608 /nfs/dbraw/zinc/39/46/08/262394608.db2.gz XVRYDMRDKQBAMR-CYBMUJFWSA-N 0 3 252.402 3.206 20 30 CGEDHN Cc1ccccc1OCCNCc1ccc(C#N)c(C)c1 ZINC000443978486 269920799 /nfs/dbraw/zinc/92/07/99/269920799.db2.gz KTIOMOIGMUSDDC-UHFFFAOYSA-N 0 3 280.371 3.344 20 30 CGEDHN C=CCC[C@H](CC)NCc1nnc(C2CC2)s1 ZINC000414332285 262845498 /nfs/dbraw/zinc/84/54/98/262845498.db2.gz UUJCBBQHMNXNPO-NSHDSACASA-N 0 3 251.399 3.250 20 30 CGEDHN CC1(C#N)CCN(c2ccnc3ccccc32)CC1 ZINC000272574564 263007078 /nfs/dbraw/zinc/00/70/78/263007078.db2.gz XAYGOMVUYDEDLO-UHFFFAOYSA-N 0 3 251.333 3.365 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000278211355 263045879 /nfs/dbraw/zinc/04/58/79/263045879.db2.gz HSXDLPXSACRCGT-HEHGZKQESA-N 0 3 297.402 3.304 20 30 CGEDHN C[C@H](CCC#N)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000279079462 263052896 /nfs/dbraw/zinc/05/28/96/263052896.db2.gz SKYKTSPHWJMXLD-WKPIXPDZSA-N 0 3 280.318 3.077 20 30 CGEDHN CN(CCC#N)c1ccc(CN[C@@H]2CSC2(C)C)cc1 ZINC000282591545 263077650 /nfs/dbraw/zinc/07/76/50/263077650.db2.gz CGCFMFPWDUPLSV-OAHLLOKOSA-N 0 3 289.448 3.020 20 30 CGEDHN CCOC(=O)[C@@H]1CC[C@@H](NCCCC#N)c2ccccc21 ZINC000282956083 263079914 /nfs/dbraw/zinc/07/99/14/263079914.db2.gz CFNVHUVJOQOAHD-HZPDHXFCSA-N 0 3 286.375 3.062 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](n2cccn2)C1 ZINC000291814560 263125765 /nfs/dbraw/zinc/12/57/65/263125765.db2.gz NOYXIDUADYDLJW-INIZCTEOSA-N 0 3 294.402 3.131 20 30 CGEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293493578 263141874 /nfs/dbraw/zinc/14/18/74/263141874.db2.gz NHDFMDDEDGERAF-UKRRQHHQSA-N 0 3 288.391 3.218 20 30 CGEDHN C=C(CNCc1cnc2n[nH]c(C)c2c1)c1ccccc1 ZINC000340436487 263146692 /nfs/dbraw/zinc/14/66/92/263146692.db2.gz ZTPXDGSHGCWHPG-UHFFFAOYSA-N 0 3 278.359 3.069 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000293836481 263150556 /nfs/dbraw/zinc/15/05/56/263150556.db2.gz QESQVJMQQYXFJP-PVAVHDDUSA-N 0 3 269.392 3.255 20 30 CGEDHN C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)[C@@H](C)O1 ZINC000295696056 263181126 /nfs/dbraw/zinc/18/11/26/263181126.db2.gz LZDXJHSUAFAWBO-XOUADPBQSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000297716322 263208606 /nfs/dbraw/zinc/20/86/06/263208606.db2.gz BFKPFKJHEUONOT-NVXWUHKLSA-N 0 3 265.360 3.239 20 30 CGEDHN C[C@@H](CCC#N)N(C)CCCOc1ccc(F)cc1 ZINC000297956059 263212818 /nfs/dbraw/zinc/21/28/18/263212818.db2.gz UBEHUUWXCGFTKG-ZDUSSCGKSA-N 0 3 264.344 3.219 20 30 CGEDHN C[C@@H](CCC#N)N1Cc2ccccc2OC(C)(C)C1 ZINC000298499865 263220606 /nfs/dbraw/zinc/22/06/06/263220606.db2.gz KBFBRVGPPVKVNS-ZDUSSCGKSA-N 0 3 258.365 3.352 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000299566021 263247672 /nfs/dbraw/zinc/24/76/72/263247672.db2.gz GZZOLKAYPLUPDA-OLZOCXBDSA-N 0 3 285.391 3.378 20 30 CGEDHN C=CCC[C@H](NCc1cn2ccccc2n1)C1CC1 ZINC000119890927 263277937 /nfs/dbraw/zinc/27/79/37/263277937.db2.gz BOPWZNSAPIVGLB-HNNXBMFYSA-N 0 3 255.365 3.169 20 30 CGEDHN C=CCC[C@H](N[C@H](C)CC[S@](C)=O)c1ccco1 ZINC000353633146 263282314 /nfs/dbraw/zinc/28/23/14/263282314.db2.gz RQPAQZWHDAHWQK-VBHSOAQHSA-N 0 3 269.410 3.034 20 30 CGEDHN C#CCCCCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000120914229 263288639 /nfs/dbraw/zinc/28/86/39/263288639.db2.gz HEMNOGMISCEOTP-QGZVFWFLSA-N 0 3 296.414 3.191 20 30 CGEDHN C=CCOc1ccc(CN2CCC(CCCO)CC2)cc1 ZINC000341571322 263341671 /nfs/dbraw/zinc/34/16/71/263341671.db2.gz YSSFFJXIEBUKKR-UHFFFAOYSA-N 0 3 289.419 3.236 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc2ccccc2o1 ZINC000341876376 263361096 /nfs/dbraw/zinc/36/10/96/263361096.db2.gz JMDSQEXUYIBEQN-STQMWFEESA-N 0 3 259.349 3.268 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000341871845 263361266 /nfs/dbraw/zinc/36/12/66/263361266.db2.gz DTRXKLZSRDIMDU-LLVKDONJSA-N 0 3 267.344 3.460 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1ccc(F)cc1F ZINC000341877690 263361545 /nfs/dbraw/zinc/36/15/45/263361545.db2.gz MHVYYLHYNDQNHO-ABAIWWIYSA-N 0 3 269.335 3.190 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416227583 263680439 /nfs/dbraw/zinc/68/04/39/263680439.db2.gz QAANSYVMOQQNRI-CVEARBPZSA-N 0 3 274.408 3.150 20 30 CGEDHN COC[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000090180564 264392053 /nfs/dbraw/zinc/39/20/53/264392053.db2.gz KWKHPVFXMDSYDF-HNNXBMFYSA-N 0 3 297.320 3.072 20 30 CGEDHN C=CCCN[C@@H]1CCOc2c(Br)cccc21 ZINC000282104274 264496284 /nfs/dbraw/zinc/49/62/84/264496284.db2.gz PODPVKWWZYABRD-GFCCVEGCSA-N 0 3 282.181 3.438 20 30 CGEDHN C=CCOCCCN(C)[C@@H](C)c1ccccc1F ZINC000347967350 265138975 /nfs/dbraw/zinc/13/89/75/265138975.db2.gz HCCLNSCNYMQVQO-ZDUSSCGKSA-N 0 3 251.345 3.411 20 30 CGEDHN CN(C)CCOc1cccc(NCc2ccc(C#N)cc2)c1 ZINC000315866551 270092647 /nfs/dbraw/zinc/09/26/47/270092647.db2.gz MWQLZLCSWLEGCG-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN CCC(CC)[C@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000224637080 266006861 /nfs/dbraw/zinc/00/68/61/266006861.db2.gz WEDVAQQJMIBFJM-MLGOLLRUSA-N 0 3 260.381 3.006 20 30 CGEDHN C=CCSCCN[C@H](C)c1ncccc1CC ZINC000356866058 266197393 /nfs/dbraw/zinc/19/73/93/266197393.db2.gz LOKGLNXTRZDVHM-GFCCVEGCSA-N 0 3 250.411 3.214 20 30 CGEDHN CC(C)[C@@]1(CO)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000368068436 267144026 /nfs/dbraw/zinc/14/40/26/267144026.db2.gz ICAWNALRPMOVJK-KRWDZBQOSA-N 0 3 291.822 3.032 20 30 CGEDHN CCO[C@@]1(C)C[C@H]1N[C@H](CC)c1ccc(C#N)cc1 ZINC000527978811 267154985 /nfs/dbraw/zinc/15/49/85/267154985.db2.gz MQLRZGIVVVRADR-OAGGEKHMSA-N 0 3 258.365 3.166 20 30 CGEDHN COc1cccc(F)c1[C@@H](C)NCCCCC#N ZINC000118966615 267282058 /nfs/dbraw/zinc/28/20/58/267282058.db2.gz ONIDQSWMDIWIOA-LLVKDONJSA-N 0 3 250.317 3.179 20 30 CGEDHN C=CCC[C@H](O)CN1CC=C(c2cccc(OC)c2)CC1 ZINC000370505858 267325372 /nfs/dbraw/zinc/32/53/72/267325372.db2.gz ZOIBEKUYVKGGGY-KRWDZBQOSA-N 0 3 287.403 3.111 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@H](c3cccnc3)C2)CCC1 ZINC000418139609 267361942 /nfs/dbraw/zinc/36/19/42/267361942.db2.gz HVCCFBVJORTISV-GOEBONIOSA-N 0 3 269.392 3.391 20 30 CGEDHN C[C@@H](CCc1cccc(F)c1)NCC1(C#N)CCC1 ZINC000418145854 267366708 /nfs/dbraw/zinc/36/67/08/267366708.db2.gz YYLSXXMRUPEICK-ZDUSSCGKSA-N 0 3 260.356 3.430 20 30 CGEDHN C=CCC[C@H](N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccco1 ZINC000375898130 267921495 /nfs/dbraw/zinc/92/14/95/267921495.db2.gz PCHZQESRFOZSKF-CTASWTNQSA-N 0 3 261.365 3.444 20 30 CGEDHN Cc1ccnc(NC[C@H]2CCN2C2CCCCC2)c1C#N ZINC000528114625 268064128 /nfs/dbraw/zinc/06/41/28/268064128.db2.gz AAXRDTXSVOHXQT-OAHLLOKOSA-N 0 3 284.407 3.081 20 30 CGEDHN C[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(C#N)cc1 ZINC000181622233 274523349 /nfs/dbraw/zinc/52/33/49/274523349.db2.gz CCDHDQCBAPHALJ-GUYCJALGSA-N 0 3 278.355 3.213 20 30 CGEDHN COc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1C#N ZINC000266206861 277898043 /nfs/dbraw/zinc/89/80/43/277898043.db2.gz NCCWKKQKDIJBGB-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(C#N)cc1 ZINC000280210421 278273030 /nfs/dbraw/zinc/27/30/30/278273030.db2.gz UCPFDPAUNWVDOG-BLLLJJGKSA-N 0 3 280.375 3.020 20 30 CGEDHN Cc1ccsc1[C@H](CO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353267201 281510835 /nfs/dbraw/zinc/51/08/35/281510835.db2.gz PENNSKWAQQIZLQ-CVEARBPZSA-N 0 3 298.411 3.239 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000349341554 303160633 /nfs/dbraw/zinc/16/06/33/303160633.db2.gz KNCFAWJJWZUYFJ-VNHYZAJKSA-N 0 3 256.349 3.182 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161000029 328116331 /nfs/dbraw/zinc/11/63/31/328116331.db2.gz KRPFJQNYHYKZNZ-NEPJUHHUSA-N 0 3 288.819 3.164 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc(C(=O)OC)cc1 ZINC000340377568 328263034 /nfs/dbraw/zinc/26/30/34/328263034.db2.gz UJGFDKTWFBHKOJ-HNNXBMFYSA-N 0 3 286.375 3.208 20 30 CGEDHN CCN(Cc1ccc(OC)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000293556649 328276561 /nfs/dbraw/zinc/27/65/61/328276561.db2.gz RQNWZLUEEUEKCA-GJZGRUSLSA-N 0 3 258.365 3.209 20 30 CGEDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(C#N)cc1Cl ZINC000565050271 322057507 /nfs/dbraw/zinc/05/75/07/322057507.db2.gz ZKQBTSKPJUCFRN-XHDPSFHLSA-N 0 3 280.799 3.098 20 30 CGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCCCC1 ZINC000570216154 322267759 /nfs/dbraw/zinc/26/77/59/322267759.db2.gz OJMASEKUSYLNPQ-UHFFFAOYSA-N 0 3 287.363 3.479 20 30 CGEDHN Cc1ccccc1[C@@H](CO)N[C@H]1CCc2ccc(C#N)cc21 ZINC000570889578 322284783 /nfs/dbraw/zinc/28/47/83/322284783.db2.gz QTNLMBAIUKRKCR-RBUKOAKNSA-N 0 3 292.382 3.177 20 30 CGEDHN Cc1cc(OCCOc2cccc(C#N)c2)c(C)c(C)n1 ZINC000573651220 322398959 /nfs/dbraw/zinc/39/89/59/322398959.db2.gz LUUGTNZKIRZZBE-UHFFFAOYSA-N 0 3 282.343 3.336 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(Br)cc1 ZINC000121118594 328364952 /nfs/dbraw/zinc/36/49/52/328364952.db2.gz BSIVKBSPTBQOHU-CQSZACIVSA-N 0 3 298.224 3.208 20 30 CGEDHN CC(C)(CCC#N)CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000535077696 328384714 /nfs/dbraw/zinc/38/47/14/328384714.db2.gz YTFJMHQQOZMVMC-GFCCVEGCSA-N 0 3 292.345 3.360 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(C3OCCO3)cc2)cc1 ZINC000290237288 328530157 /nfs/dbraw/zinc/53/01/57/328530157.db2.gz GJNIXDFXJMDVAL-UHFFFAOYSA-N 0 3 293.366 3.003 20 30 CGEDHN C=CCC[C@H](NC[C@@H](CO)Cc1ccco1)c1ccco1 ZINC000556859298 326973707 /nfs/dbraw/zinc/97/37/07/326973707.db2.gz SEFCFWKDVAEAMW-HOCLYGCPSA-N 0 3 289.375 3.321 20 30 CGEDHN Cc1ccc([C@H](C/N=C/c2ccccc2O)N(C)C)cc1 ZINC000067005665 327085246 /nfs/dbraw/zinc/08/52/46/327085246.db2.gz SQDDNGSLKWDKRV-DAQNXSASSA-N 0 3 282.387 3.422 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1nc(C)c(C)s1)C(C)C ZINC000558604284 327108474 /nfs/dbraw/zinc/10/84/74/327108474.db2.gz IMBRVEMMVCNQGZ-OAHLLOKOSA-N 0 3 293.480 3.292 20 30 CGEDHN C[C@H](N[C@@H](CO)C1CCCC1)c1ccc(C#N)cc1Cl ZINC000584261725 327203765 /nfs/dbraw/zinc/20/37/65/327203765.db2.gz RJEWGXUTRANVMD-ZBEGNZNMSA-N 0 3 292.810 3.413 20 30 CGEDHN C=CCOc1ccccc1CNCCC(C)(F)F ZINC000357737561 327388645 /nfs/dbraw/zinc/38/86/45/327388645.db2.gz XDXRQCZZZQIHCI-UHFFFAOYSA-N 0 3 255.308 3.386 20 30 CGEDHN C[C@@H](CCc1ccc(F)cc1F)NCC1(C#N)CC1 ZINC000561962432 327434786 /nfs/dbraw/zinc/43/47/86/327434786.db2.gz XRVDVBXNEUFFKN-NSHDSACASA-N 0 3 264.319 3.179 20 30 CGEDHN C=C[C@H](CO)NCc1ccc2c(c1)c1ccccc1n2CC ZINC000352454487 328751271 /nfs/dbraw/zinc/75/12/71/328751271.db2.gz UQHIMCPTXZYHTQ-OAHLLOKOSA-N 0 3 294.398 3.451 20 30 CGEDHN C#Cc1ccc(CNC[C@H]2OCCc3ccccc32)cc1 ZINC000377652761 329023074 /nfs/dbraw/zinc/02/30/74/329023074.db2.gz QJOCTGUYEWROQT-LJQANCHMSA-N 0 3 277.367 3.072 20 30 CGEDHN COc1ccc([C@H](CCC#N)NC[C@H]2CCCCO2)cc1 ZINC000582466239 329088459 /nfs/dbraw/zinc/08/84/59/329088459.db2.gz MJKIUMGUPLXINB-SJORKVTESA-N 0 3 288.391 3.199 20 30 CGEDHN C=CCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000175681106 329167743 /nfs/dbraw/zinc/16/77/43/329167743.db2.gz PVACTJYIMVAQFC-QGZVFWFLSA-N 0 3 286.419 3.124 20 30 CGEDHN COc1ccc([C@H](C)NCCCC#N)cc1Br ZINC000181905648 329238257 /nfs/dbraw/zinc/23/82/57/329238257.db2.gz UAQBXSCQUDCTRF-JTQLQIEISA-N 0 3 297.196 3.412 20 30 CGEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCCCC#N ZINC000184019476 329252430 /nfs/dbraw/zinc/25/24/30/329252430.db2.gz RKHMPVNWYPVNJW-MRXNPFEDSA-N 0 3 271.408 3.281 20 30 CGEDHN CC(C)C[C@@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000582913022 329287947 /nfs/dbraw/zinc/28/79/47/329287947.db2.gz PSULBLGUQLIUJV-INIZCTEOSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000186625064 329346861 /nfs/dbraw/zinc/34/68/61/329346861.db2.gz AEKBBBJIHIRLEY-CQSZACIVSA-N 0 3 270.376 3.353 20 30 CGEDHN C=C(CC)CN1CCC(Oc2ncccc2F)CC1 ZINC000571968471 329933946 /nfs/dbraw/zinc/93/39/46/329933946.db2.gz UZQJABKQQVEJIH-UHFFFAOYSA-N 0 3 264.344 3.030 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccncc1Cl ZINC000421852461 330088042 /nfs/dbraw/zinc/08/80/42/330088042.db2.gz IHHHKUXMKKSOHD-XUJVJEKNSA-N 0 3 280.799 3.367 20 30 CGEDHN CCCCCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424064439 330218962 /nfs/dbraw/zinc/21/89/62/330218962.db2.gz KFHAOTLNBUALRO-MRXNPFEDSA-N 0 3 287.407 3.379 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccccn2)C2CCC2)C1 ZINC000527962647 330300852 /nfs/dbraw/zinc/30/08/52/330300852.db2.gz HFIPVFZXHSQXSJ-INWMFGNUSA-N 0 3 255.365 3.205 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(Cl)cccc1OC ZINC000424169777 330312134 /nfs/dbraw/zinc/31/21/34/330312134.db2.gz IFHNDISLYWHDJE-FZMZJTMJSA-N 0 3 281.783 3.029 20 30 CGEDHN C=CCn1cc(CNC2CCC3(CCCCC3)CC2)nn1 ZINC000424174203 330314299 /nfs/dbraw/zinc/31/42/99/330314299.db2.gz RGFFUQCNPQOFAN-UHFFFAOYSA-N 0 3 288.439 3.447 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)cccc1Cl ZINC000424175328 330315370 /nfs/dbraw/zinc/31/53/70/330315370.db2.gz POJKIRDKNRDDJE-HZMBPMFUSA-N 0 3 269.747 3.160 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@@H](C)C(C)C)CC1 ZINC000106340970 330335577 /nfs/dbraw/zinc/33/55/77/330335577.db2.gz BSWAMPYQLYLGSU-HNNXBMFYSA-N 0 3 295.471 3.103 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000424319567 330340075 /nfs/dbraw/zinc/34/00/75/330340075.db2.gz FCUNXSSJJDFOQM-PEYYIBSZSA-N 0 3 258.340 3.485 20 30 CGEDHN COc1cc2c(cc1F)CC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424322221 330340384 /nfs/dbraw/zinc/34/03/84/330340384.db2.gz IDRFZULVMRNNLC-JVLSTEMRSA-N 0 3 274.339 3.103 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(=O)OC)cc1 ZINC000424330138 330342210 /nfs/dbraw/zinc/34/22/10/330342210.db2.gz QIDLBRNFVCAKAR-MAZHCROVSA-N 0 3 286.375 3.206 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](c2cccnc2)C2CCC2)C1 ZINC000424334410 330343116 /nfs/dbraw/zinc/34/31/16/330343116.db2.gz VLYMBJLURGYDEZ-KCXAZCMYSA-N 0 3 255.365 3.205 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000424334442 330343176 /nfs/dbraw/zinc/34/31/76/330343176.db2.gz VOANGXYDJSISKF-BJJXKVORSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CCCCN(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000533348753 330358357 /nfs/dbraw/zinc/35/83/57/330358357.db2.gz FOGMOEMJCBTSKS-HNNXBMFYSA-N 0 3 288.435 3.454 20 30 CGEDHN C=CCC[C@@H](NCC(=O)NC1CCCC1)c1ccccc1 ZINC000089592067 330386548 /nfs/dbraw/zinc/38/65/48/330386548.db2.gz DJCRABCICHNXDI-QGZVFWFLSA-N 0 3 286.419 3.342 20 30 CGEDHN C=C(C)COCCN[C@H]1CSCCc2ccccc21 ZINC000090451363 330392630 /nfs/dbraw/zinc/39/26/30/330392630.db2.gz OTWNKALCHJGLPY-INIZCTEOSA-N 0 3 277.433 3.199 20 30 CGEDHN C=C(C)CN1CCC(OCc2ccccc2F)CC1 ZINC000091863166 330404163 /nfs/dbraw/zinc/40/41/63/330404163.db2.gz YFIDZJUIWQRUNL-UHFFFAOYSA-N 0 3 263.356 3.383 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(C(F)(F)F)s1 ZINC000428853409 330532533 /nfs/dbraw/zinc/53/25/33/330532533.db2.gz ZMHVODJUMRPOFB-SECBINFHSA-N 0 3 279.327 3.041 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(N2CCCC2=O)c1 ZINC000430751132 330573009 /nfs/dbraw/zinc/57/30/09/330573009.db2.gz SMRMVPPWKCBIFV-CQSZACIVSA-N 0 3 297.402 3.158 20 30 CGEDHN Cc1ccn(C2CCN(Cc3ccc(CC#N)cc3)CC2)n1 ZINC000434497136 330640159 /nfs/dbraw/zinc/64/01/59/330640159.db2.gz CBZDZCKERHNZCI-UHFFFAOYSA-N 0 3 294.402 3.095 20 30 CGEDHN CN(C)Cc1cccc(NCC(C)(C)CCC#N)c1 ZINC000156519432 330736771 /nfs/dbraw/zinc/73/67/71/330736771.db2.gz QAWLTIUHLKJADA-UHFFFAOYSA-N 0 3 259.397 3.490 20 30 CGEDHN CSc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442781330 330782610 /nfs/dbraw/zinc/78/26/10/330782610.db2.gz ILQOPUGRRZOMNI-GXTWGEPZSA-N 0 3 260.406 3.499 20 30 CGEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000442832239 330785869 /nfs/dbraw/zinc/78/58/69/330785869.db2.gz YEWCRTFXTCRUGC-VLXAULBPSA-N 0 3 276.355 3.184 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000449138414 330901305 /nfs/dbraw/zinc/90/13/05/330901305.db2.gz BZRPEWRFQDNEKM-GJZGRUSLSA-N 0 3 299.422 3.448 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@H](CC)C1 ZINC000449146449 330901694 /nfs/dbraw/zinc/90/16/94/330901694.db2.gz CICZOBFQWVWUOT-HZPDHXFCSA-N 0 3 275.392 3.299 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2cnc(C(F)(F)F)s2)C1 ZINC000449444759 330925998 /nfs/dbraw/zinc/92/59/98/330925998.db2.gz DFNWTZPUOFURKH-IUCAKERBSA-N 0 3 289.326 3.334 20 30 CGEDHN COCC1(C#N)CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000450929827 331007695 /nfs/dbraw/zinc/00/76/95/331007695.db2.gz KENYJRKWTWCBRV-ZDUSSCGKSA-N 0 3 286.366 3.064 20 30 CGEDHN N#CCCCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451150386 331017793 /nfs/dbraw/zinc/01/77/93/331017793.db2.gz SHLHYDPMLPUFEU-UHFFFAOYSA-N 0 3 284.281 3.468 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000451608049 331036513 /nfs/dbraw/zinc/03/65/13/331036513.db2.gz MGDZKILLHVVDII-OAGGEKHMSA-N 0 3 261.340 3.136 20 30 CGEDHN C=CCC1(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)CCCC1 ZINC000451692988 331039315 /nfs/dbraw/zinc/03/93/15/331039315.db2.gz WOBBQQIGSWWMER-JKSUJKDBSA-N 0 3 290.451 3.208 20 30 CGEDHN CC[C@@H]1CN(CC)CCN1Cc1ccccc1C(C)(C)C#N ZINC000451729080 331040468 /nfs/dbraw/zinc/04/04/68/331040468.db2.gz IXIJSEUJNAITTE-QGZVFWFLSA-N 0 3 299.462 3.404 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC1 ZINC000452346402 331062984 /nfs/dbraw/zinc/06/29/84/331062984.db2.gz VLAYDDSSYPKMFK-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](COC)c1ccc(Cl)cc1 ZINC000453329453 331117636 /nfs/dbraw/zinc/11/76/36/331117636.db2.gz AEEIQMOPBPHMDH-OAGGEKHMSA-N 0 3 295.810 3.351 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000453343271 331119540 /nfs/dbraw/zinc/11/95/40/331119540.db2.gz DXWPTQFPTPQSAN-YUELXQCFSA-N 0 3 291.391 3.006 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H]1CCSc2ccc(F)cc21 ZINC000453354320 331121242 /nfs/dbraw/zinc/12/12/42/331121242.db2.gz LLTKQPHOZZFKTG-GXTWGEPZSA-N 0 3 281.396 3.279 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1OC ZINC000453354412 331121282 /nfs/dbraw/zinc/12/12/82/331121282.db2.gz NLMFHEPWOFHYTQ-YUELXQCFSA-N 0 3 261.365 3.079 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000453369341 331123818 /nfs/dbraw/zinc/12/38/18/331123818.db2.gz QQYRPTZVRCHJAX-ZDUSSCGKSA-N 0 3 260.381 3.005 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000459480232 331284076 /nfs/dbraw/zinc/28/40/76/331284076.db2.gz OVRDKSWEKFLWDQ-GASCZTMLSA-N 0 3 290.838 3.106 20 30 CGEDHN C=CCOc1ccc(CNCC(C)(C)CC#N)cc1OC ZINC000459684478 331294350 /nfs/dbraw/zinc/29/43/50/331294350.db2.gz DAQUICKFRUDQCI-UHFFFAOYSA-N 0 3 288.391 3.289 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@](C)(CCC)C1 ZINC000464839243 331370586 /nfs/dbraw/zinc/37/05/86/331370586.db2.gz PGXTYOGEPHJRLT-SJLPKXTDSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CC[C@H](CC)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000466403499 331395139 /nfs/dbraw/zinc/39/51/39/331395139.db2.gz FXSVCJKBOPQBHQ-NSHDSACASA-N 0 3 299.317 3.461 20 30 CGEDHN C=C1CCN(C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470770017 331490140 /nfs/dbraw/zinc/49/01/40/331490140.db2.gz WLCLZICXVFTPSG-IBGZPJMESA-N 0 3 281.399 3.395 20 30 CGEDHN C=C(C)[C@H](NCC1(O)CCCC1)c1ccc(F)c(F)c1 ZINC000481603197 331810313 /nfs/dbraw/zinc/81/03/13/331810313.db2.gz HWUNSSPBGYIHPO-HNNXBMFYSA-N 0 3 281.346 3.477 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1ncc(C)c(C)n1)C(C)C ZINC000484837510 331905931 /nfs/dbraw/zinc/90/59/31/331905931.db2.gz SEASUYFADKULOF-MRXNPFEDSA-N 0 3 288.439 3.204 20 30 CGEDHN C=CCCCCCN1CCN(c2cccc(O)c2)CC1 ZINC000486821670 331946932 /nfs/dbraw/zinc/94/69/32/331946932.db2.gz RXTVBFGOERWJMV-UHFFFAOYSA-N 0 3 274.408 3.261 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)C[C@@H](C)CC ZINC000489337920 332047539 /nfs/dbraw/zinc/04/75/39/332047539.db2.gz XWUVUYBBLCLOPW-LSDHHAIUSA-N 0 3 268.445 3.168 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@H](C3CC3)C2)cc1 ZINC000491108539 332150543 /nfs/dbraw/zinc/15/05/43/332150543.db2.gz HEWJIZVQCPGNNQ-HNNXBMFYSA-N 0 3 259.780 3.423 20 30 CGEDHN C=CC[C@H](C)NCc1cnc(-c2ccccc2OC)nc1 ZINC000491292897 332182986 /nfs/dbraw/zinc/18/29/86/332182986.db2.gz BKTQZKWGAPKIAJ-ZDUSSCGKSA-N 0 3 283.375 3.206 20 30 CGEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000491554752 332236986 /nfs/dbraw/zinc/23/69/86/332236986.db2.gz LUYIYFPSBLIKKT-DZGCQCFKSA-N 0 3 272.392 3.022 20 30 CGEDHN CC(C)(C#N)CCCN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000312218592 333078483 /nfs/dbraw/zinc/07/84/83/333078483.db2.gz CZXKYIZEFPTFCZ-CYBMUJFWSA-N 0 3 292.345 3.096 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1sccc1OC ZINC000186221880 333156930 /nfs/dbraw/zinc/15/69/30/333156930.db2.gz RAYHDJRJHLHUQA-LLVKDONJSA-N 0 3 255.383 3.000 20 30 CGEDHN C=CCOc1cccc(CN2CCSC[C@H](C)C2)c1 ZINC000190850469 333211731 /nfs/dbraw/zinc/21/17/31/333211731.db2.gz UUZVSZVYVFAGDF-CQSZACIVSA-N 0 3 277.433 3.436 20 30 CGEDHN C=CCCCN1CCN(Cc2ccc(CC)s2)CC1 ZINC000523457742 333328376 /nfs/dbraw/zinc/32/83/76/333328376.db2.gz CQOIVKRKMTWTSG-UHFFFAOYSA-N 0 3 278.465 3.394 20 30 CGEDHN C=C(C)COCCNCc1cccn1CCC(C)C ZINC000134505664 334092571 /nfs/dbraw/zinc/09/25/71/334092571.db2.gz HKGMCNHOYJHPIJ-UHFFFAOYSA-N 0 3 264.413 3.217 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@H](SC)C1 ZINC000134588670 334096010 /nfs/dbraw/zinc/09/60/10/334096010.db2.gz LUSCONZUWQEQNB-CABCVRRESA-N 0 3 298.496 3.017 20 30 CGEDHN CCc1cccc2c(CCNC[C@H](C#N)CCC#N)c[nH]c21 ZINC000548786915 334174049 /nfs/dbraw/zinc/17/40/49/334174049.db2.gz FPVALBXPVZZWHM-AWEZNQCLSA-N 0 3 294.402 3.306 20 30 CGEDHN COc1cc(CNC/C=C\c2ccccc2)ccc1C#N ZINC000577309471 335337802 /nfs/dbraw/zinc/33/78/02/335337802.db2.gz ZQSRREGWLYKBLA-YVMONPNESA-N 0 3 278.355 3.370 20 30 CGEDHN Cc1cc(OCc2ccc(C#N)cc2)c(C)c(C)n1 ZINC000577550878 335367708 /nfs/dbraw/zinc/36/77/08/335367708.db2.gz VFVLDHPAUDVUSG-UHFFFAOYSA-N 0 3 252.317 3.458 20 30 CGEDHN Cc1cccc(O[C@H](C)CNCc2cc(C#N)cs2)c1 ZINC000177706710 335380311 /nfs/dbraw/zinc/38/03/11/335380311.db2.gz WDSZTEUSPGIGRY-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(C(C)(C)C)CC2)CCCC1 ZINC000581924765 336168849 /nfs/dbraw/zinc/16/88/49/336168849.db2.gz VVRGTHMTAVGASL-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc2cccnc12 ZINC000335286587 533723059 /nfs/dbraw/zinc/72/30/59/533723059.db2.gz WUMPUSWJCGFPFM-XJKSGUPXSA-N 0 3 265.360 3.325 20 30 CGEDHN C[C@H](NC[C@H](O)CC(C)(C)C)c1ccc(C#N)cc1F ZINC000358555541 533899427 /nfs/dbraw/zinc/89/94/27/533899427.db2.gz LWDMUXSUQURLIG-WCQYABFASA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccn(C)c1 ZINC000425365495 534081591 /nfs/dbraw/zinc/08/15/91/534081591.db2.gz KZVRTZCCHYDULZ-ZDUSSCGKSA-N 0 3 253.349 3.090 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccncn2)CC1 ZINC000411829575 534082633 /nfs/dbraw/zinc/08/26/33/534082633.db2.gz UUMACUPYJRWMLL-AWEZNQCLSA-N 0 3 292.386 3.289 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cnccc2C#N)C1 ZINC000359485868 534133137 /nfs/dbraw/zinc/13/31/37/534133137.db2.gz HSHLLEGIIHRDQM-RHSMWYFYSA-N 0 3 292.386 3.201 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000184914376 518633750 /nfs/dbraw/zinc/63/37/50/518633750.db2.gz FRHCYBGGEQMPOE-GOEBONIOSA-N 0 3 274.408 3.008 20 30 CGEDHN C=CCC[C@H](CCC)N[C@@H](CCO)c1ccco1 ZINC000186532388 518721446 /nfs/dbraw/zinc/72/14/46/518721446.db2.gz CCKUKXJCLPPESN-KBPBESRZSA-N 0 3 251.370 3.428 20 30 CGEDHN C=CCCC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000263663853 534615948 /nfs/dbraw/zinc/61/59/48/534615948.db2.gz KGKBNNFIZKJKMP-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN CC(C)(C)C[C@@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000515864826 534632492 /nfs/dbraw/zinc/63/24/92/534632492.db2.gz OPSFLSSUKQBCCW-ZDUSSCGKSA-N 0 3 257.381 3.211 20 30 CGEDHN Cc1cccc(C)c1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000330211011 534673070 /nfs/dbraw/zinc/67/30/70/534673070.db2.gz CSRGPTNJNKPWHH-RHSMWYFYSA-N 0 3 288.391 3.049 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cnc3ccccc3c2)C1 ZINC000334989216 534755242 /nfs/dbraw/zinc/75/52/42/534755242.db2.gz PWIKLSKIZPBFQW-SWLSCSKDSA-N 0 3 251.333 3.017 20 30 CGEDHN C=CCN(Cc1ccccc1F)CC1CCOCC1 ZINC000112697150 526364809 /nfs/dbraw/zinc/36/48/09/526364809.db2.gz AJJDJGRBGQSIHQ-UHFFFAOYSA-N 0 3 263.356 3.240 20 30 CGEDHN C=CCOCCCN(C)Cc1cccc(Cl)c1 ZINC000347972497 526748153 /nfs/dbraw/zinc/74/81/53/526748153.db2.gz QUFUYEYHKUUPRO-UHFFFAOYSA-N 0 3 253.773 3.365 20 30 CGEDHN C=CCOCCCN1CCC(c2ncc(C)s2)CC1 ZINC000348190938 526752426 /nfs/dbraw/zinc/75/24/26/526752426.db2.gz AJNIRFXPCUPLRH-UHFFFAOYSA-N 0 3 280.437 3.224 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H]1CCCCN1CC ZINC000352265430 527126628 /nfs/dbraw/zinc/12/66/28/527126628.db2.gz KWRJRPNYULOQSW-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000346974890 527193749 /nfs/dbraw/zinc/19/37/49/527193749.db2.gz UHXHOYYRWIMCMW-ZDUSSCGKSA-N 0 3 278.371 3.359 20 30 CGEDHN C=CCCCN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000344602530 527201048 /nfs/dbraw/zinc/20/10/48/527201048.db2.gz PLPPBNNUABUULP-SFHVURJKSA-N 0 3 298.430 3.002 20 30 CGEDHN C=CCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000344532184 527229978 /nfs/dbraw/zinc/22/99/78/527229978.db2.gz BONATVWWKUMBMI-UHFFFAOYSA-N 0 3 286.419 3.369 20 30 CGEDHN C=CCC[C@H](NCC1(CCO)CCC1)c1ccco1 ZINC000353633182 527482557 /nfs/dbraw/zinc/48/25/57/527482557.db2.gz RXEJIIJTNSQCIG-AWEZNQCLSA-N 0 3 263.381 3.429 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(-c2ccc(F)cc2)s1 ZINC000352480828 527591984 /nfs/dbraw/zinc/59/19/84/527591984.db2.gz LWQCQKAERWSGKK-CYBMUJFWSA-N 0 3 277.364 3.191 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCC2 ZINC000359000572 527838001 /nfs/dbraw/zinc/83/80/01/527838001.db2.gz JGLIQVSFAVSGGL-HUUCEWRRSA-N 0 3 288.366 3.135 20 30 CGEDHN CC(C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354481190 528080637 /nfs/dbraw/zinc/08/06/37/528080637.db2.gz YAMZTXGSXBWOEZ-AWEZNQCLSA-N 0 3 265.316 3.090 20 30 CGEDHN CCCN(Cc1c(F)cccc1Cl)C(=O)C(C)C#N ZINC000347055624 528130103 /nfs/dbraw/zinc/13/01/03/528130103.db2.gz ALHKCMRXIAAUJQ-JTQLQIEISA-N 0 3 282.746 3.377 20 30 CGEDHN CCOC1CC(N(C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000347442531 528510358 /nfs/dbraw/zinc/51/03/58/528510358.db2.gz HCENREFQKJBJPX-UHFFFAOYSA-N 0 3 286.419 3.487 20 30 CGEDHN CC(C)[C@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)(C)O ZINC000357786764 529125385 /nfs/dbraw/zinc/12/53/85/529125385.db2.gz JVPBWKZQHWPOQJ-NHYWBVRUSA-N 0 3 278.371 3.143 20 30 CGEDHN COc1ccc(C#N)cc1CN1[C@@H](C)CCC1(C)C ZINC000452012606 536645950 /nfs/dbraw/zinc/64/59/50/536645950.db2.gz SALQCOJCNSYRQG-LBPRGKRZSA-N 0 3 258.365 3.330 20 30 CGEDHN C[C@H]1C[C@H](C)N(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000740859859 571886028 /nfs/dbraw/zinc/88/60/28/571886028.db2.gz NQDKONKUUYTIEM-KBPBESRZSA-N 0 3 280.375 3.110 20 30 CGEDHN CCCCCCCCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000729627691 571925756 /nfs/dbraw/zinc/92/57/56/571925756.db2.gz PHWZTSCINGVPSK-HNNXBMFYSA-N 0 3 268.445 3.290 20 30 CGEDHN CCCCCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000740875241 572463896 /nfs/dbraw/zinc/46/38/96/572463896.db2.gz NABRMNMJOKEKSJ-UHFFFAOYSA-N 0 3 286.423 3.046 20 30 CGEDHN C=C(C)COC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000741321246 572492210 /nfs/dbraw/zinc/49/22/10/572492210.db2.gz SFXNXNVWJXRSNS-MRXNPFEDSA-N 0 3 273.376 3.018 20 30 CGEDHN CC#CCN1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000741785237 572528417 /nfs/dbraw/zinc/52/84/17/572528417.db2.gz XTEMVFJROWPHTK-OAHLLOKOSA-N 0 3 292.220 3.479 20 30 CGEDHN Cc1cccc(OCCCNCc2ccc(C#N)o2)c1 ZINC000742366513 572567556 /nfs/dbraw/zinc/56/75/56/572567556.db2.gz ICSYYJWHNNTIMZ-UHFFFAOYSA-N 0 3 270.332 3.018 20 30 CGEDHN CCC(CC)NN=C(C)c1ccc(N2CCOCC2)cc1 ZINC000734366114 572649675 /nfs/dbraw/zinc/64/96/75/572649675.db2.gz FJFYJUJTFZIWAB-UHFFFAOYSA-N 0 3 289.423 3.025 20 30 CGEDHN CCCCCC[C@H](C)NN=C1CCN(C)[C@H](C)C1 ZINC000743450552 572663191 /nfs/dbraw/zinc/66/31/91/572663191.db2.gz MCEFGKKKGMRWRS-UONOGXRCSA-N 0 3 253.434 3.405 20 30 CGEDHN C#CCCN1CCC(NC(=O)[C@@H](C)CCCCCC)CC1 ZINC000743491629 572666597 /nfs/dbraw/zinc/66/65/97/572666597.db2.gz JOMMHJQWMHVTNI-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C#CCCN1CCC(NC(=O)CCCCCCCC)CC1 ZINC000743493101 572666807 /nfs/dbraw/zinc/66/68/07/572666807.db2.gz HOCIAYKWIOFERM-UHFFFAOYSA-N 0 3 292.467 3.341 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000736673757 572804764 /nfs/dbraw/zinc/80/47/64/572804764.db2.gz YJQATQYYLDOIQH-AGIUHOORSA-N 0 3 250.386 3.115 20 30 CGEDHN N#Cc1cccc(C2([NH2+]Cc3ccccc3[O-])CC2)c1 ZINC000747924270 572955600 /nfs/dbraw/zinc/95/56/00/572955600.db2.gz RHDDAZAXOMGJCV-UHFFFAOYSA-N 0 3 264.328 3.043 20 30 CGEDHN Cc1cccc(OCCCNCc2ccc(C#N)s2)c1 ZINC000749109493 572989213 /nfs/dbraw/zinc/98/92/13/572989213.db2.gz REMXESRTLXEHBS-UHFFFAOYSA-N 0 3 286.400 3.487 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC000969726462 613302943 /nfs/dbraw/zinc/30/29/43/613302943.db2.gz UFGLETOHCZRFTL-ZDUSSCGKSA-N 0 3 298.386 3.059 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945821 613325523 /nfs/dbraw/zinc/32/55/23/613325523.db2.gz BYCIGCXQOAGCNW-NVXWUHKLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945822 613332049 /nfs/dbraw/zinc/33/20/49/613332049.db2.gz BYCIGCXQOAGCNW-RDJZCZTQSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993315 613332684 /nfs/dbraw/zinc/33/26/84/613332684.db2.gz IWXFVIJIVKIPOW-HOCLYGCPSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974938858 613341892 /nfs/dbraw/zinc/34/18/92/613341892.db2.gz VMOISVWIMJZJOF-GJZGRUSLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999880 613529635 /nfs/dbraw/zinc/52/96/35/613529635.db2.gz HYTWPEUCIRVEBU-KBPBESRZSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC000969103412 613685377 /nfs/dbraw/zinc/68/53/77/613685377.db2.gz RUOWIXFGZBGLPM-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000969037059 613686077 /nfs/dbraw/zinc/68/60/77/613686077.db2.gz ADSAAUUVKRTDBX-IXDOHACOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000940547127 613754038 /nfs/dbraw/zinc/75/40/38/613754038.db2.gz FSKDXTWNPIXJQE-MRXNPFEDSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccsc2Cl)[C@@H](C)C1 ZINC000943332981 613756321 /nfs/dbraw/zinc/75/63/21/613756321.db2.gz GTHLWVVVLVMFOA-CMPLNLGQSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000940554316 613781074 /nfs/dbraw/zinc/78/10/74/613781074.db2.gz QGWJLNOLEBYIOY-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000941046708 613784152 /nfs/dbraw/zinc/78/41/52/613784152.db2.gz JUPSVHSKTXDWNH-OAGGEKHMSA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000944633229 613789304 /nfs/dbraw/zinc/78/93/04/613789304.db2.gz DZJCAQRZOWZQGH-ZFWWWQNUSA-N 0 3 298.386 3.059 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cscc2Cl)C[C@@H]1C ZINC000947427311 613799213 /nfs/dbraw/zinc/79/92/13/613799213.db2.gz ZZGUIOAPLNNQFM-QWRGUYRKSA-N 0 3 298.839 3.170 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@H]2C)C1 ZINC001021118197 617900255 /nfs/dbraw/zinc/90/02/55/617900255.db2.gz HFDWCECXACRUKU-NMFUWQPSSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)CN(CC)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900168330 620768475 /nfs/dbraw/zinc/76/84/75/620768475.db2.gz AXXWASMVYYGCLP-UHFFFAOYSA-N 0 3 285.391 3.329 20 30 CGEDHN N#Cc1cc(Cl)cc(CNC2([C@H]3CCCCO3)CC2)c1 ZINC000933372360 618219277 /nfs/dbraw/zinc/21/92/77/618219277.db2.gz YYNJQRWOCMLJQT-OAHLLOKOSA-N 0 3 290.794 3.403 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](c3ccco3)C2)cs1 ZINC000892019445 618491251 /nfs/dbraw/zinc/49/12/51/618491251.db2.gz SZVODQWDLUQLDW-LBPRGKRZSA-N 0 3 258.346 3.202 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934558198 618645698 /nfs/dbraw/zinc/64/56/98/618645698.db2.gz ANWVZNVXUVECRG-STQMWFEESA-N 0 3 260.385 3.026 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCOCC1 ZINC000179386521 618780289 /nfs/dbraw/zinc/78/02/89/618780289.db2.gz FCFIFDKNAAWEBY-DGCLKSJQSA-N 0 3 298.342 3.067 20 30 CGEDHN C#C[C@@H](CC)NCc1cccc(OC(F)(F)F)c1 ZINC000229899853 618870167 /nfs/dbraw/zinc/87/01/67/618870167.db2.gz DPFQHQDRASWLCF-NSHDSACASA-N 0 3 257.255 3.087 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001007665200 618918725 /nfs/dbraw/zinc/91/87/25/618918725.db2.gz JYDHUYJYEUUPND-CQSZACIVSA-N 0 3 290.407 3.002 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000775183133 619003936 /nfs/dbraw/zinc/00/39/36/619003936.db2.gz JAWGVQRPPXWJDS-CYBMUJFWSA-N 0 3 253.345 3.302 20 30 CGEDHN C#C[C@@H](NCc1cc(OC)c(OC)cc1SC)C(C)C ZINC000312159711 619031712 /nfs/dbraw/zinc/03/17/12/619031712.db2.gz ITFZLXVMLVEXOD-CYBMUJFWSA-N 0 3 293.432 3.173 20 30 CGEDHN C[C@@H](CNc1nc(Cl)c(C#N)s1)N1CCCC[C@H]1C ZINC000804349130 619381474 /nfs/dbraw/zinc/38/14/74/619381474.db2.gz JAKMGOWLIXDUHA-ZJUUUORDSA-N 0 3 298.843 3.343 20 30 CGEDHN CC(C)(C#N)CN[C@@H]1CCOC2(CCCCC2)C1 ZINC000894454461 619542903 /nfs/dbraw/zinc/54/29/03/619542903.db2.gz PHMJWERVQCOWRI-CYBMUJFWSA-N 0 3 250.386 3.008 20 30 CGEDHN C#C[C@H](NC1CCC(C)(O)CC1)c1ccc(Cl)cc1 ZINC000894551880 619574118 /nfs/dbraw/zinc/57/41/18/619574118.db2.gz ALWVQQKAHNTUDJ-PCKAHOCUSA-N 0 3 277.795 3.298 20 30 CGEDHN C=CCC(C)(C)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894611648 619588729 /nfs/dbraw/zinc/58/87/29/619588729.db2.gz WIHQECSDRPQEMV-UHFFFAOYSA-N 0 3 294.351 3.001 20 30 CGEDHN N#Cc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000894736068 619617260 /nfs/dbraw/zinc/61/72/60/619617260.db2.gz NRJXOCQVSXOKFS-LSDHHAIUSA-N 0 3 258.390 3.240 20 30 CGEDHN C=C(C)CN(C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000181326484 619715627 /nfs/dbraw/zinc/71/56/27/619715627.db2.gz ANCGZIKZQLGIKV-UHFFFAOYSA-N 0 3 257.333 3.109 20 30 CGEDHN Cc1ccc(C2=NO[C@H](CN[C@@H]3CC[C@H](C#N)C3)C2)cc1C ZINC000895497052 619838799 /nfs/dbraw/zinc/83/87/99/619838799.db2.gz FIUKBHCARGPURC-UAGQMJEPSA-N 0 3 297.402 3.078 20 30 CGEDHN CC(C)(NCc1csc(C#N)c1)[C@H](O)c1ccccc1 ZINC000896020777 619931772 /nfs/dbraw/zinc/93/17/72/619931772.db2.gz WFQCMYXHUSZATO-OAHLLOKOSA-N 0 3 286.400 3.222 20 30 CGEDHN C#CCN(Cc1cc2c(ccnc2Cl)o1)C(C)C ZINC000897170629 620155032 /nfs/dbraw/zinc/15/50/32/620155032.db2.gz DGNOUNFBIHBMMZ-UHFFFAOYSA-N 0 3 262.740 3.325 20 30 CGEDHN C=C1CCC(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000897240830 620169248 /nfs/dbraw/zinc/16/92/48/620169248.db2.gz RLFPVKAJUIZAJV-ZWKOTPCHSA-N 0 3 298.430 3.294 20 30 CGEDHN CCS[C@@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000067600444 620349937 /nfs/dbraw/zinc/34/99/37/620349937.db2.gz HPCHCKYYHDRZNW-ZYHUDNBSSA-N 0 3 282.434 3.406 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)C2(F)CCCCC2)CC1 ZINC000989412631 620410156 /nfs/dbraw/zinc/41/01/56/620410156.db2.gz RORHALDGFMOPQS-UHFFFAOYSA-N 0 3 296.430 3.159 20 30 CGEDHN Cc1cccc(C)c1OCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902770145 621433438 /nfs/dbraw/zinc/43/34/38/621433438.db2.gz FBZKIMVNJPFXBZ-OAHLLOKOSA-N 0 3 295.386 3.300 20 30 CGEDHN Cc1cccc(O[C@@H](C)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902819051 621454417 /nfs/dbraw/zinc/45/44/17/621454417.db2.gz FFODNSIFIPTJLY-LSDHHAIUSA-N 0 3 295.386 3.380 20 30 CGEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)Oc1cccc(F)c1 ZINC000902820326 621455280 /nfs/dbraw/zinc/45/52/80/621455280.db2.gz AZGICRYRKJPBQC-STQMWFEESA-N 0 3 299.349 3.210 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)c1cc(C#N)ccn1 ZINC000903016833 621519410 /nfs/dbraw/zinc/51/94/10/621519410.db2.gz IHQITMATNYUKLU-HYSWKAIVSA-N 0 3 281.334 3.299 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903012155 621534265 /nfs/dbraw/zinc/53/42/65/621534265.db2.gz NVIWRVJWKOWNLX-ZYHUDNBSSA-N 0 3 288.313 3.078 20 30 CGEDHN C=CCC[C@H](NCC(C)(C)C#N)[C@]1(C)CCCCO1 ZINC000903101669 621574914 /nfs/dbraw/zinc/57/49/14/621574914.db2.gz KOBKKYPBJRAORW-HOCLYGCPSA-N 0 3 264.413 3.420 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccn2)C2CC2)C1 ZINC000903335468 621692325 /nfs/dbraw/zinc/69/23/25/621692325.db2.gz QCHANSPTQJIKIT-IVMMDQJWSA-N 0 3 255.365 3.205 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000768173776 625530158 /nfs/dbraw/zinc/53/01/58/625530158.db2.gz FBHXJXWLTXBPQV-UHFFFAOYSA-N 0 3 283.346 3.470 20 30 CGEDHN CC#Cc1ccc(-c2ccc(CN(C)C)s2)nc1 ZINC000904860015 622006517 /nfs/dbraw/zinc/00/65/17/622006517.db2.gz WQVDCHLETMVJLQ-UHFFFAOYSA-N 0 3 256.374 3.243 20 30 CGEDHN Cc1cc(C)c(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000905079627 622032796 /nfs/dbraw/zinc/03/27/96/622032796.db2.gz CRJBRDBIODPENI-OBTCNRAFSA-N 0 3 267.332 3.044 20 30 CGEDHN CC1/C(=C/c2ccc(C(F)(F)F)s2)C(=O)c2ncnn21 ZINC000905087863 622034262 /nfs/dbraw/zinc/03/42/62/622034262.db2.gz ZWFAPAUKKKWOQI-OJYYCGRUSA-N 0 3 299.277 3.199 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCc2cccc3cccc1c32 ZINC000905843583 622119801 /nfs/dbraw/zinc/11/98/01/622119801.db2.gz ISSDAAOATRQHLC-CXAGYDPISA-N 0 3 294.398 3.107 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)c1ccccc1C ZINC000911947059 622572242 /nfs/dbraw/zinc/57/22/42/622572242.db2.gz JAWGHWGXQYLBKE-AWEZNQCLSA-N 0 3 260.381 3.032 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1F ZINC000911937884 622577276 /nfs/dbraw/zinc/57/72/76/622577276.db2.gz AAFSYPLJARPKNR-NSHDSACASA-N 0 3 270.735 3.101 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1OC(C)C ZINC000912325770 622636508 /nfs/dbraw/zinc/63/65/08/622636508.db2.gz JPUZLEKBMJPMIE-ZDUSSCGKSA-N 0 3 276.380 3.096 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN1CCSC[C@@H]1C ZINC000929686570 623508788 /nfs/dbraw/zinc/50/87/88/623508788.db2.gz BCRIJKFPRIKCCS-ZDUSSCGKSA-N 0 3 260.406 3.112 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)cc3C)CCC[C@H]12 ZINC000992486513 623596926 /nfs/dbraw/zinc/59/69/26/623596926.db2.gz HEMBXLQWQCEKJL-HKUYNNGSSA-N 0 3 298.430 3.216 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](O)c1ccsc1 ZINC000152542845 623688407 /nfs/dbraw/zinc/68/84/07/623688407.db2.gz XFJOVZVOQFLCOU-HNNXBMFYSA-N 0 3 289.400 3.136 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000993996170 624067284 /nfs/dbraw/zinc/06/72/84/624067284.db2.gz QQTGKYWYRGHGFJ-UKRRQHHQSA-N 0 3 292.448 3.215 20 30 CGEDHN CC(C)[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000073089489 624068718 /nfs/dbraw/zinc/06/87/18/624068718.db2.gz FXDAJACMWKBCGD-MNOVXSKESA-N 0 3 256.305 3.296 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CC2(Cl)Cl)cc1Cl ZINC000877503605 635063147 /nfs/dbraw/zinc/06/31/47/635063147.db2.gz QWOJERXLSAZNJT-SNVBAGLBSA-N 0 3 289.593 3.495 20 30 CGEDHN CCOP(=O)(CCCN(C)CC(C)(C)C#N)OCC ZINC000877549023 635084833 /nfs/dbraw/zinc/08/48/33/635084833.db2.gz GZLXDANLXJMMQQ-UHFFFAOYSA-N 0 3 290.344 3.124 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)cs2)C1 ZINC000998748905 625820090 /nfs/dbraw/zinc/82/00/90/625820090.db2.gz ZAGBXRFIUQMXFX-UHFFFAOYSA-N 0 3 298.839 3.002 20 30 CGEDHN C=CCN1CC=C(CNC(=O)c2ccc(CCC)cc2)CC1 ZINC001001104635 625889839 /nfs/dbraw/zinc/88/98/39/625889839.db2.gz GPPLUKZDOIFEPV-UHFFFAOYSA-N 0 3 298.430 3.187 20 30 CGEDHN Cc1cccc2c1OC[C@@H](NCc1csc(C#N)c1)C2 ZINC000922140993 625972167 /nfs/dbraw/zinc/97/21/67/625972167.db2.gz OCQYRQBLBIGVBN-AWEZNQCLSA-N 0 3 284.384 3.022 20 30 CGEDHN C#Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922154371 625973898 /nfs/dbraw/zinc/97/38/98/625973898.db2.gz KQOSOOPRMJPBRQ-UHFFFAOYSA-N 0 3 277.367 3.283 20 30 CGEDHN N#CCc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922209081 625983908 /nfs/dbraw/zinc/98/39/08/625983908.db2.gz YBLSLOZYQDMCIX-UHFFFAOYSA-N 0 3 292.382 3.367 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc(C)c2)CC1 ZINC001005067724 626084803 /nfs/dbraw/zinc/08/48/03/626084803.db2.gz GHJVXLXTAWRTCP-UHFFFAOYSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCOc1cccc(CN[C@H](c2cnn(C)c2)C(C)C)c1 ZINC000922894005 626091257 /nfs/dbraw/zinc/09/12/57/626091257.db2.gz WVKLYOVDQQUKCL-SFHVURJKSA-N 0 3 299.418 3.472 20 30 CGEDHN N#CC(C(=O)CCOCC1CC1)c1ccc2ccccc2n1 ZINC000751826753 626406240 /nfs/dbraw/zinc/40/62/40/626406240.db2.gz WSDSNWTVDGWOMR-OAHLLOKOSA-N 0 3 294.354 3.228 20 30 CGEDHN N#CC(C(=O)CC[C@@H]1CCOC1)c1ccc2ccccc2n1 ZINC000751825893 626406263 /nfs/dbraw/zinc/40/62/63/626406263.db2.gz MCVATRSRSQVLGE-HIFRSBDPSA-N 0 3 294.354 3.228 20 30 CGEDHN C[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@H]1C ZINC000752076096 626417645 /nfs/dbraw/zinc/41/76/45/626417645.db2.gz NPMTUWDHZXMBOA-VXGBXAGGSA-N 0 3 278.783 3.330 20 30 CGEDHN C#CCCCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000753662582 626461369 /nfs/dbraw/zinc/46/13/69/626461369.db2.gz JBSPGRJYKIBFJU-QGZVFWFLSA-N 0 3 268.335 3.313 20 30 CGEDHN C#CCCCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756755668 626729172 /nfs/dbraw/zinc/72/91/72/626729172.db2.gz CJWZVJSRFZKHIO-AAEUAGOBSA-N 0 3 261.340 3.473 20 30 CGEDHN C#CC[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000756996813 626745728 /nfs/dbraw/zinc/74/57/28/626745728.db2.gz RWYXIPAJOUVLSH-INIZCTEOSA-N 0 3 251.329 3.246 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000839592550 626764223 /nfs/dbraw/zinc/76/42/23/626764223.db2.gz MRUIRJRPJXXVDE-LLVKDONJSA-N 0 3 290.835 3.268 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)C#Cc2ccccc2)c1 ZINC000759743825 626919456 /nfs/dbraw/zinc/91/94/56/626919456.db2.gz ADERUXVPASABTI-UHFFFAOYSA-N 0 3 292.382 3.047 20 30 CGEDHN C=CCCCCCCNC(=O)[C@@H]1CCCCN1CC ZINC000805217973 627011757 /nfs/dbraw/zinc/01/17/57/627011757.db2.gz OLLBMJJXKQKTIR-HNNXBMFYSA-N 0 3 266.429 3.114 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc(C#N)c(C(F)(F)F)c2)CN1C ZINC000761813009 627062799 /nfs/dbraw/zinc/06/27/99/627062799.db2.gz SVDORNJBKXOOFO-SECBINFHSA-N 0 3 296.296 3.069 20 30 CGEDHN C=C(Br)CN[C@@H](C)Cc1ccccc1OC ZINC000125020677 634546938 /nfs/dbraw/zinc/54/69/38/634546938.db2.gz QEROSMLAHMOPBT-NSHDSACASA-N 0 3 284.197 3.124 20 30 CGEDHN C=CCN(Cc1ccccc1OCCOC)C(C)C ZINC000768547381 627485766 /nfs/dbraw/zinc/48/57/66/627485766.db2.gz KCUJORSMYBZGRH-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN C#CCOc1ccccc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000769141802 627525321 /nfs/dbraw/zinc/52/53/21/627525321.db2.gz MCSRSYHQPDHHJD-KBPBESRZSA-N 0 3 275.417 3.024 20 30 CGEDHN C#C[C@H](C)N(C)CCOc1ccc2ccccc2c1 ZINC000769963634 627592649 /nfs/dbraw/zinc/59/26/49/627592649.db2.gz ZEEFOFBQHCSBLC-AWEZNQCLSA-N 0 3 253.345 3.172 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cc(Cl)cc2cccnc21 ZINC000769963035 627592836 /nfs/dbraw/zinc/59/28/36/627592836.db2.gz PLZBXKZQKZHFMT-LLVKDONJSA-N 0 3 258.752 3.342 20 30 CGEDHN C[C@@H](COc1ccccc1)NCc1ccc(C#N)cc1F ZINC000772919978 627832904 /nfs/dbraw/zinc/83/29/04/627832904.db2.gz XLOVONBGVLXCTH-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN CCC(CC)CNN=Cc1ccc(N2CCCC2)nc1 ZINC000774472722 627994807 /nfs/dbraw/zinc/99/48/07/627994807.db2.gz OQBOUPUCTHHFNX-UHFFFAOYSA-N 0 3 274.412 3.042 20 30 CGEDHN CC(C)Oc1ccc([C@@H]2CCCC2=Nn2cnnc2)cc1 ZINC000776757270 628230032 /nfs/dbraw/zinc/23/00/32/628230032.db2.gz LDRKXPLHKDOHGJ-HNNXBMFYSA-N 0 3 284.363 3.237 20 30 CGEDHN CCOCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000782953627 628669951 /nfs/dbraw/zinc/66/99/51/628669951.db2.gz VOKQGTIZCJHNGC-UHFFFAOYSA-N 0 3 296.370 3.221 20 30 CGEDHN CC(C)(C)CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000783553015 628724699 /nfs/dbraw/zinc/72/46/99/628724699.db2.gz NVEPYHIBSPSSBD-UHFFFAOYSA-N 0 3 290.407 3.310 20 30 CGEDHN C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1[O-] ZINC000784263903 628799496 /nfs/dbraw/zinc/79/94/96/628799496.db2.gz SNRWYXKMSYSYCN-ZDUSSCGKSA-N 0 3 266.344 3.309 20 30 CGEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000784485967 628815953 /nfs/dbraw/zinc/81/59/53/628815953.db2.gz JPZDEXDDUVYXRA-IUODEOHRSA-N 0 3 270.307 3.405 20 30 CGEDHN C#CCN[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000787995185 629038223 /nfs/dbraw/zinc/03/82/23/629038223.db2.gz OEOCPBSFBVXFSL-CVEARBPZSA-N 0 3 294.801 3.226 20 30 CGEDHN C=CCCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000788797898 629082626 /nfs/dbraw/zinc/08/26/26/629082626.db2.gz NHQLITYKXLADNT-CYBMUJFWSA-N 0 3 251.757 3.467 20 30 CGEDHN CC(C)CN(CCC#N)CCCCOC(C)(C)C ZINC000789325955 629122281 /nfs/dbraw/zinc/12/22/81/629122281.db2.gz KCLVRCDAIRBORJ-UHFFFAOYSA-N 0 3 254.418 3.453 20 30 CGEDHN C=C[C@H]1CCCCN1[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790357397 629208033 /nfs/dbraw/zinc/20/80/33/629208033.db2.gz PBDGGXLAMXCIAB-ZWKOTPCHSA-N 0 3 298.430 3.218 20 30 CGEDHN CC[C@H](CC#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805928210 629219403 /nfs/dbraw/zinc/21/94/03/629219403.db2.gz LJIUBDZBRPYRLB-MRXNPFEDSA-N 0 3 286.375 3.131 20 30 CGEDHN CCCCCCCCN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000791589887 629291401 /nfs/dbraw/zinc/29/14/01/629291401.db2.gz JKEHZHRXMCVYSG-HOTGVXAUSA-N 0 3 269.429 3.227 20 30 CGEDHN C#CCN(Cc1ccc(N(C)CC)nc1)C1CCCCC1 ZINC000792166349 629342600 /nfs/dbraw/zinc/34/26/00/629342600.db2.gz YIDZLIRTMZIUJQ-UHFFFAOYSA-N 0 3 285.435 3.306 20 30 CGEDHN C#CC[C@H]1CCN(Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000862445102 629378119 /nfs/dbraw/zinc/37/81/19/629378119.db2.gz LXWPFDCCQACTFO-HNNXBMFYSA-N 0 3 280.371 3.495 20 30 CGEDHN CCC(=NNCCc1ccc(OC)cc1)c1ccc(N)cc1 ZINC000863095902 629470786 /nfs/dbraw/zinc/47/07/86/629470786.db2.gz OMSSGMDRZFKMDC-UHFFFAOYSA-N 0 3 297.402 3.224 20 30 CGEDHN CCC(=NN[C@H](C)COc1ccccc1)c1ccc(N)cc1 ZINC000863112918 629476183 /nfs/dbraw/zinc/47/61/83/629476183.db2.gz OVYYHVMKTXKLBJ-CQSZACIVSA-N 0 3 297.402 3.440 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000793554043 629483478 /nfs/dbraw/zinc/48/34/78/629483478.db2.gz PMFXBHPQMJDPBY-XJKSGUPXSA-N 0 3 292.398 3.467 20 30 CGEDHN Cc1cc(NN=C2CCCCc3cc(C#N)ccc32)ccn1 ZINC000863159346 629485603 /nfs/dbraw/zinc/48/56/03/629485603.db2.gz MUCWLGBYULWLMU-UHFFFAOYSA-N 0 3 290.370 3.226 20 30 CGEDHN C=C(Br)CN[C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794600836 629559876 /nfs/dbraw/zinc/55/98/76/629559876.db2.gz BCKYGUOOCJEZNR-UONOGXRCSA-N 0 3 298.224 3.243 20 30 CGEDHN C(CCc1ccc(-c2ccccc2)cc1)=Nn1cnnc1 ZINC000794857736 629590107 /nfs/dbraw/zinc/59/01/07/629590107.db2.gz WZKGKIRZVFRRTL-UHFFFAOYSA-N 0 3 276.343 3.412 20 30 CGEDHN CCCCCCCN[C@H](c1nncn1C)C(C)C ZINC000796186625 629751610 /nfs/dbraw/zinc/75/16/10/629751610.db2.gz OMMXFRPVJUDLKF-ZDUSSCGKSA-N 0 3 252.406 3.072 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796738586 629823764 /nfs/dbraw/zinc/82/37/64/629823764.db2.gz KYXLJURUUSRNFO-LBPRGKRZSA-N 0 3 281.359 3.186 20 30 CGEDHN N#CC(C(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1ccccn1 ZINC000796779012 629831967 /nfs/dbraw/zinc/83/19/67/629831967.db2.gz AVXIXXBDJOZVEQ-DCAQKATOSA-N 0 3 282.265 3.236 20 30 CGEDHN CC[C@](C)(OC)C(=O)C(C#N)c1nccc2ccccc21 ZINC000796900886 629855903 /nfs/dbraw/zinc/85/59/03/629855903.db2.gz SAZYIBSMFLNAFC-YOEHRIQHSA-N 0 3 282.343 3.226 20 30 CGEDHN CC[C@@](C)(OC)C(=O)C(C#N)c1nccc2ccccc21 ZINC000796900882 629856018 /nfs/dbraw/zinc/85/60/18/629856018.db2.gz SAZYIBSMFLNAFC-RHSMWYFYSA-N 0 3 282.343 3.226 20 30 CGEDHN CCN(CC)c1ccc(CNCC2(CC#N)CC2)cc1F ZINC000797468504 629950459 /nfs/dbraw/zinc/95/04/59/629950459.db2.gz JKSKSQHUZRGJNX-UHFFFAOYSA-N 0 3 289.398 3.455 20 30 CGEDHN C[C@@H](C#N)OCCN(C)Cc1csc2ccccc12 ZINC000801914519 630364739 /nfs/dbraw/zinc/36/47/39/630364739.db2.gz JMPOFZRWJKNEII-LBPRGKRZSA-N 0 3 274.389 3.262 20 30 CGEDHN C[C@H](C#N)OCCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000801918582 630365650 /nfs/dbraw/zinc/36/56/50/630365650.db2.gz RTAVBBQNIYNKRY-GFCCVEGCSA-N 0 3 294.345 3.073 20 30 CGEDHN C=CCOCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808713480 630668995 /nfs/dbraw/zinc/66/89/95/630668995.db2.gz NJLKXVDQWUCPQP-NSHDSACASA-N 0 3 269.772 3.207 20 30 CGEDHN C#Cc1ccc(CN2CCN(C)c3ccccc3C2)cc1 ZINC000809567588 630751686 /nfs/dbraw/zinc/75/16/86/630751686.db2.gz KMMGDZQKYPOGSO-UHFFFAOYSA-N 0 3 276.383 3.120 20 30 CGEDHN C#C[C@H](C)NCc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000809683743 630779659 /nfs/dbraw/zinc/77/96/59/630779659.db2.gz MPBKVQOEGLGYFD-AWEZNQCLSA-N 0 3 295.382 3.482 20 30 CGEDHN C#C[C@@H](NCc1ccc(OCC=C)c(OC)c1)C(C)C ZINC000809685398 630781146 /nfs/dbraw/zinc/78/11/46/630781146.db2.gz QWXIKSDOQNDPGM-OAHLLOKOSA-N 0 3 273.376 3.007 20 30 CGEDHN C#C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000809781300 630806222 /nfs/dbraw/zinc/80/62/22/630806222.db2.gz OIYOJUVWBLOOPC-TUPIDYKKSA-N 0 3 272.348 3.246 20 30 CGEDHN C#C[C@@H](NCc1cccc(OCC=C)c1)C(C)(C)C ZINC000809781959 630807384 /nfs/dbraw/zinc/80/73/84/630807384.db2.gz FDHURJBGXHOCKC-MRXNPFEDSA-N 0 3 257.377 3.389 20 30 CGEDHN COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])ccc1C#N ZINC000810251776 630858652 /nfs/dbraw/zinc/85/86/52/630858652.db2.gz XDEDUQAFHOPNOL-ZDUSSCGKSA-N 0 3 296.370 3.432 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810428042 630876834 /nfs/dbraw/zinc/87/68/34/630876834.db2.gz QRCUYAOOIULTMG-KRWDZBQOSA-N 0 3 298.446 3.404 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCCCF)c([O-])c1 ZINC000812444839 631261618 /nfs/dbraw/zinc/26/16/18/631261618.db2.gz NUJXTGKVHPTCKL-SFQUDFHCSA-N 0 3 266.360 3.407 20 30 CGEDHN C#C[C@H](NC1CC(C(F)F)C1)c1ccc(F)cc1 ZINC000812794190 631312184 /nfs/dbraw/zinc/31/21/84/631312184.db2.gz UQRRIQGULFIDKC-GDKBPFBDSA-N 0 3 253.267 3.133 20 30 CGEDHN N#CC(C(=O)C=CC1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813218494 631390061 /nfs/dbraw/zinc/39/00/61/631390061.db2.gz WPTHZFYORQUYTB-DLRQAJBASA-N 0 3 280.249 3.243 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000876558241 634857044 /nfs/dbraw/zinc/85/70/44/634857044.db2.gz JSZKWVZXIFJHSY-KGLIPLIRSA-N 0 3 280.799 3.032 20 30 CGEDHN CCC(=NNCc1cccc(C)c1)c1cccc(N)c1 ZINC000814873336 631661281 /nfs/dbraw/zinc/66/12/81/631661281.db2.gz XCQAQJDLIBBQMG-UHFFFAOYSA-N 0 3 267.376 3.481 20 30 CGEDHN CC1(C)CCC[C@H]1NN=C1CCCc2ccc(N)cc21 ZINC000814917821 631681109 /nfs/dbraw/zinc/68/11/09/631681109.db2.gz SKFJSRRDIWTIQA-MRXNPFEDSA-N 0 3 271.408 3.478 20 30 CGEDHN C[NH+](C)C1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000817708490 632202692 /nfs/dbraw/zinc/20/26/92/632202692.db2.gz YVSWUXFYBPKVPA-LICLKQGHSA-N 0 3 280.799 3.337 20 30 CGEDHN N#CC(C(=O)[C@H]1CC12CC2)c1ccc2ccccc2n1 ZINC000817714329 632205165 /nfs/dbraw/zinc/20/51/65/632205165.db2.gz QAYFJTLBZLMWOY-QWHCGFSZSA-N 0 3 262.312 3.211 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817713924 632205462 /nfs/dbraw/zinc/20/54/62/632205462.db2.gz INPANDYPKQDKMS-AAVRWANBSA-N 0 3 293.370 3.186 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000818346921 632312100 /nfs/dbraw/zinc/31/21/00/632312100.db2.gz KMOIJGHSXIAFLM-NOLJZWGESA-N 0 3 261.365 3.024 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1cccc(SC(F)(F)F)c1 ZINC000866391185 633118337 /nfs/dbraw/zinc/11/83/37/633118337.db2.gz CADRDUVNLMEIHD-GXSJLCMTSA-N 0 3 291.338 3.496 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1ccccc1F ZINC000823617174 633127552 /nfs/dbraw/zinc/12/75/52/633127552.db2.gz GJRYDYCBKIQYSW-FZKQIMNGSA-N 0 3 298.361 3.424 20 30 CGEDHN C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccnn1C ZINC000866615579 633215728 /nfs/dbraw/zinc/21/57/28/633215728.db2.gz VZYHLXBZBBNJDB-DYVFJYSZSA-N 0 3 294.402 3.410 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cc2ccccc2c(OC)c1 ZINC000824297129 633225667 /nfs/dbraw/zinc/22/56/67/633225667.db2.gz PZGBODHPWQTWGX-ZDUSSCGKSA-N 0 3 253.345 3.302 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(O[C@H](C)CC)cc1 ZINC000876608507 634866421 /nfs/dbraw/zinc/86/64/21/634866421.db2.gz BKBWPLLOHAGGHR-RISCZKNCSA-N 0 3 296.798 3.272 20 30 CGEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000829774380 633779869 /nfs/dbraw/zinc/77/98/69/633779869.db2.gz POYKZRHRYZHDPH-DLBZAZTESA-N 0 3 298.430 3.366 20 30 CGEDHN C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc([O-])c1F ZINC000872094189 634018967 /nfs/dbraw/zinc/01/89/67/634018967.db2.gz ZRGXNSVBIKRRGB-IAQYHMDHSA-N 0 3 296.345 3.221 20 30 CGEDHN COc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1C#N ZINC000834688625 634219642 /nfs/dbraw/zinc/21/96/42/634219642.db2.gz BTOBWUFBQLOJFJ-HNNXBMFYSA-N 0 3 294.354 3.050 20 30 CGEDHN CS[C@@H]1CC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000873063297 634239773 /nfs/dbraw/zinc/23/97/73/634239773.db2.gz PEMDLTJLQRLDDK-NWDGAFQWSA-N 0 3 264.369 3.071 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834894182 634271299 /nfs/dbraw/zinc/27/12/99/634271299.db2.gz RFJHSVBIGYMTND-QJZXMWHDSA-N 0 3 291.366 3.403 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000876906927 634926466 /nfs/dbraw/zinc/92/64/66/634926466.db2.gz KZVPWMBVZOTGNM-LLVKDONJSA-N 0 3 288.725 3.207 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCC2=CCCC2)c1 ZINC000877118610 634989589 /nfs/dbraw/zinc/98/95/89/634989589.db2.gz HXGYKBFGLZHLGU-UHFFFAOYSA-N 0 3 261.756 3.197 20 30 CGEDHN C=CCCOCCNCc1cc2c(ccnc2Cl)o1 ZINC000877125105 634992735 /nfs/dbraw/zinc/99/27/35/634992735.db2.gz XYJXLYLLBFXFFF-UHFFFAOYSA-N 0 3 280.755 3.164 20 30 CGEDHN CCC[C@@H](C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])OC ZINC000840705788 635037730 /nfs/dbraw/zinc/03/77/30/635037730.db2.gz FSRICZFWQDGHGA-IQFISFIMSA-N 0 3 292.423 3.472 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncc(Cl)n1C ZINC000840972122 635098495 /nfs/dbraw/zinc/09/84/95/635098495.db2.gz ZEVZTPKKBKVSLY-AWEZNQCLSA-N 0 3 289.810 3.351 20 30 CGEDHN Cc1ccc(F)cc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000842156872 635298342 /nfs/dbraw/zinc/29/83/42/635298342.db2.gz AEFQSMQJBLGJOP-SFHVURJKSA-N 0 3 298.361 3.171 20 30 CGEDHN C#CC[C@H]1CCC[N@@H+](Cc2cc(CC=C)cc(OC)c2[O-])C1 ZINC000842628260 635420675 /nfs/dbraw/zinc/42/06/75/635420675.db2.gz WDMCSWSAZKISBB-HNNXBMFYSA-N 0 3 299.414 3.365 20 30 CGEDHN C#CC[C@H]1CCC[N@H+](Cc2cc(CC=C)cc(OC)c2[O-])C1 ZINC000842628260 635420678 /nfs/dbraw/zinc/42/06/78/635420678.db2.gz WDMCSWSAZKISBB-HNNXBMFYSA-N 0 3 299.414 3.365 20 30 CGEDHN N#CC(C(=O)C1CC2(CCC2)C1)c1nc2ccccc2[nH]1 ZINC000842676623 635438023 /nfs/dbraw/zinc/43/80/23/635438023.db2.gz DIVJBSLZELKKGU-GFCCVEGCSA-N 0 3 279.343 3.319 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(C[C@H](C)CC(C)(C)C)CC1 ZINC000878310625 635454557 /nfs/dbraw/zinc/45/45/57/635454557.db2.gz MYFKWKHOHQPNCO-CVEARBPZSA-N 0 3 279.472 3.224 20 30 CGEDHN C=C(C)CN(CCCC1CC1)Cc1ccc(CO)o1 ZINC000878605840 635566155 /nfs/dbraw/zinc/56/61/55/635566155.db2.gz FDVQCUBMUHXTNS-UHFFFAOYSA-N 0 3 263.381 3.340 20 30 CGEDHN C#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000843423455 635666322 /nfs/dbraw/zinc/66/63/22/635666322.db2.gz DUQMIJZYESMPHS-GFCCVEGCSA-N 0 3 293.794 3.290 20 30 CGEDHN C#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000843423455 635666325 /nfs/dbraw/zinc/66/63/25/635666325.db2.gz DUQMIJZYESMPHS-GFCCVEGCSA-N 0 3 293.794 3.290 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1cccs1 ZINC000879116012 635706897 /nfs/dbraw/zinc/70/68/97/635706897.db2.gz YMBUNNFISHJWKU-UHFFFAOYSA-N 0 3 294.464 3.241 20 30 CGEDHN C#CCCCCCN1CCc2cccc(NC(C)=O)c2C1 ZINC000879237346 635730429 /nfs/dbraw/zinc/73/04/29/635730429.db2.gz CTSOYKHUCAFXRT-UHFFFAOYSA-N 0 3 284.403 3.197 20 30 CGEDHN COc1cc(C#N)ccc1CNC(C)(C)[C@@H]1CCCCO1 ZINC000879406413 635779986 /nfs/dbraw/zinc/77/99/86/635779986.db2.gz NSDIVBGULORPPB-INIZCTEOSA-N 0 3 288.391 3.004 20 30 CGEDHN C(#Cc1ccccc1)CNC1([C@H]2CCCCO2)CCC1 ZINC000879734224 635846649 /nfs/dbraw/zinc/84/66/49/635846649.db2.gz FZBWACXLKNYGAW-QGZVFWFLSA-N 0 3 269.388 3.120 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844460166 635908537 /nfs/dbraw/zinc/90/85/37/635908537.db2.gz WFJGHWRTTAXRLO-OKILXGFUSA-N 0 3 276.330 3.185 20 30 CGEDHN COc1cc2c(cc1OC)[C@@H](C)N(CCCCC#N)CC2 ZINC000880089716 635911236 /nfs/dbraw/zinc/91/12/36/635911236.db2.gz AGGXUIUMBJPXMB-CYBMUJFWSA-N 0 3 288.391 3.317 20 30 CGEDHN C[C@@H](NCCCC#N)c1ccc(C(F)(F)F)nc1 ZINC000880097368 635913250 /nfs/dbraw/zinc/91/32/50/635913250.db2.gz PPDJFPHYKHFFNE-SECBINFHSA-N 0 3 257.259 3.055 20 30 CGEDHN C=CCN1CCCSC[C@@H]1c1ccccc1OC ZINC000880172739 635928453 /nfs/dbraw/zinc/92/84/53/635928453.db2.gz BCRJKJWSIKWAEB-CQSZACIVSA-N 0 3 263.406 3.361 20 30 CGEDHN COCC#CCN1CCC(c2ccnc3ccccc32)CC1 ZINC000846951434 636292592 /nfs/dbraw/zinc/29/25/92/636292592.db2.gz RVQUNKVCQDEVNU-UHFFFAOYSA-N 0 3 294.398 3.064 20 30 CGEDHN C#CCCC[C@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000847867644 636478902 /nfs/dbraw/zinc/47/89/02/636478902.db2.gz PATMNCLAFSGPJA-AWEZNQCLSA-N 0 3 273.376 3.097 20 30 CGEDHN C=CCC[C@H](NCc1nc(C)cs1)[C@@H]1CCCO1 ZINC000883169373 636563177 /nfs/dbraw/zinc/56/31/77/636563177.db2.gz USGXIDRWZXHELR-STQMWFEESA-N 0 3 266.410 3.055 20 30 CGEDHN c1ccc2c(N=NC3CCCN4CCCC[C@H]34)cnnc2c1 ZINC000848406925 636568675 /nfs/dbraw/zinc/56/86/75/636568675.db2.gz RZVKUZCLOYHDAG-QGZVFWFLSA-N 0 3 295.390 3.046 20 30 CGEDHN C=CCC[C@H](NCc1cc(C)no1)[C@@H]1Cc2ccccc2O1 ZINC000883186592 636571750 /nfs/dbraw/zinc/57/17/50/636571750.db2.gz VFUYOCSMEJUTOT-WMZOPIPTSA-N 0 3 298.386 3.411 20 30 CGEDHN C=CCC[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000883187617 636572381 /nfs/dbraw/zinc/57/23/81/636572381.db2.gz RTLFTAXWFGVXFR-IRXDYDNUSA-N 0 3 288.366 3.301 20 30 CGEDHN C=CCC[C@H](NCc1cc(C#N)ccc1F)[C@H]1CCCO1 ZINC000883205270 636584136 /nfs/dbraw/zinc/58/41/36/636584136.db2.gz SEZSLKDFZWBZMV-DLBZAZTESA-N 0 3 288.366 3.301 20 30 CGEDHN C=CCC[C@@H](NCc1nn(C)c2ccccc12)[C@@H]1CCCO1 ZINC000883215960 636590779 /nfs/dbraw/zinc/59/07/79/636590779.db2.gz JDRQURUSMYUUMZ-QAPCUYQASA-N 0 3 299.418 3.177 20 30 CGEDHN C=CCCCCCNCc1cn(-c2ccccc2)nn1 ZINC000848562393 636607473 /nfs/dbraw/zinc/60/74/73/636607473.db2.gz JCMZJWYSDGQECS-UHFFFAOYSA-N 0 3 270.380 3.103 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(Cl)cc1OC ZINC000883392144 636736463 /nfs/dbraw/zinc/73/64/63/636736463.db2.gz AYYPWOFSTXEGFA-DGCLKSJQSA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000883392635 636738806 /nfs/dbraw/zinc/73/88/06/636738806.db2.gz LQILRJWRFUURMS-WCQYABFASA-N 0 3 283.799 3.332 20 30 CGEDHN C=CCOCCCNCc1ccnc(Cl)c1Cl ZINC000850378314 637039311 /nfs/dbraw/zinc/03/93/11/637039311.db2.gz XZNNNLJJKJEQQV-UHFFFAOYSA-N 0 3 275.179 3.071 20 30 CGEDHN C=CCN(Cc1ccccc1F)[C@@H]1CC[C@@H](OC)C1 ZINC000851734553 637482052 /nfs/dbraw/zinc/48/20/52/637482052.db2.gz UORUTVBDPMVMLF-HUUCEWRRSA-N 0 3 263.356 3.381 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cncc3ccccc32)C1 ZINC000852319965 637634350 /nfs/dbraw/zinc/63/43/50/637634350.db2.gz UGPFGMMOIYKUPK-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886815940 637702740 /nfs/dbraw/zinc/70/27/40/637702740.db2.gz LUAULWLQTLZOPS-NVXWUHKLSA-N 0 3 289.806 3.192 20 30 CGEDHN C#C[C@H](N[C@@H](CC)c1ccc(F)cc1F)C1CCOCC1 ZINC000853079063 637751934 /nfs/dbraw/zinc/75/19/34/637751934.db2.gz WYKWNFIWYFOAHL-IRXDYDNUSA-N 0 3 293.357 3.434 20 30 CGEDHN C#CCSCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000222113148 637774274 /nfs/dbraw/zinc/77/42/74/637774274.db2.gz UORYKKWIYLOSLJ-JTQLQIEISA-N 0 3 271.788 3.496 20 30 CGEDHN C=CC[C@H]1CCCN(Cn2nccc2-c2cccnc2)C1 ZINC000853537122 637864229 /nfs/dbraw/zinc/86/42/29/637864229.db2.gz PMNWCFNKCCJOTA-HNNXBMFYSA-N 0 3 282.391 3.191 20 30 CGEDHN C#CCOc1ccc(CNCc2ccccc2C)cc1 ZINC000113313934 638185434 /nfs/dbraw/zinc/18/54/34/638185434.db2.gz DHBJGXQOVNFDNS-UHFFFAOYSA-N 0 3 265.356 3.297 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1cccc(Br)n1 ZINC000925255879 638486802 /nfs/dbraw/zinc/48/68/02/638486802.db2.gz HFTBDBRWEJYGFG-DTWKUNHWSA-N 0 3 255.159 3.069 20 30 CGEDHN C=CC(C)(C)CCNCc1c(Cl)nc(Cl)n1C ZINC000858206063 638657259 /nfs/dbraw/zinc/65/72/59/638657259.db2.gz MISPKDXDBTZFHU-UHFFFAOYSA-N 0 3 276.211 3.419 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2cccnc2C)cc1 ZINC000858517548 638753716 /nfs/dbraw/zinc/75/37/16/638753716.db2.gz BGCDQIMCSNBRRC-CQSZACIVSA-N 0 3 280.371 3.253 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926344791 638764860 /nfs/dbraw/zinc/76/48/60/638764860.db2.gz YHJPLRPSSUYMFI-MKBNYLNASA-N 0 3 279.355 3.163 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)C1(Cl)CC1 ZINC000926369770 638767420 /nfs/dbraw/zinc/76/74/20/638767420.db2.gz KERAWHWDARLLNC-SECBINFHSA-N 0 3 269.175 3.461 20 30 CGEDHN CC1(C)CC2(CC(NCC3(C#N)CCCC3)C2)CO1 ZINC000926881822 638820973 /nfs/dbraw/zinc/82/09/73/638820973.db2.gz ZEKZKPINGGZXSR-UHFFFAOYSA-N 0 3 262.397 3.008 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCCc2cccnc21 ZINC000927061140 638836149 /nfs/dbraw/zinc/83/61/49/638836149.db2.gz BTKAFXASVGOOBK-OCCSQVGLSA-N 0 3 257.381 3.377 20 30 CGEDHN C=CCC[C@@H](CC)NCc1nc2c(s1)COCC2 ZINC000927116677 638844382 /nfs/dbraw/zinc/84/43/82/638844382.db2.gz JUPFLCQJESIRDP-LLVKDONJSA-N 0 3 266.410 3.050 20 30 CGEDHN C=CCC[C@@H](NCc1c(C)noc1CC)[C@H]1CCCO1 ZINC000927133817 638846195 /nfs/dbraw/zinc/84/61/95/638846195.db2.gz YXGUDKQQJWQFBH-GDBMZVCRSA-N 0 3 278.396 3.149 20 30 CGEDHN N#CC1CCC(CN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000930100687 638974088 /nfs/dbraw/zinc/97/40/88/638974088.db2.gz XDFQZVWBCMERIC-UHFFFAOYSA-N 0 3 299.374 3.283 20 30 CGEDHN CC(C)(C)c1ccc(C(C)(C)NC[C@H](O)CC#N)cc1 ZINC000930217249 638983749 /nfs/dbraw/zinc/98/37/49/638983749.db2.gz UGSBKUTXNJFNBA-OAHLLOKOSA-N 0 3 274.408 3.083 20 30 CGEDHN N#CC[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000930217702 638983901 /nfs/dbraw/zinc/98/39/01/638983901.db2.gz ZLKOFEFBTWFPFE-CABCVRRESA-N 0 3 278.783 3.045 20 30 CGEDHN Cn1cc(C2=CCCN(CCCCC3(C#N)CCC3)C2)cn1 ZINC000930959812 639091687 /nfs/dbraw/zinc/09/16/87/639091687.db2.gz CUNYAZMGBIHCED-UHFFFAOYSA-N 0 3 298.434 3.373 20 30 CGEDHN FC(F)(F)CCN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910920 639226583 /nfs/dbraw/zinc/22/65/83/639226583.db2.gz GYZYYQZOGVAASE-SSDOTTSWSA-N 0 3 279.199 3.305 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccccc2CCC)CC1 ZINC000932144480 639273645 /nfs/dbraw/zinc/27/36/45/639273645.db2.gz SQLIZUKGWIYUBB-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1C ZINC000933646949 639473557 /nfs/dbraw/zinc/47/35/57/639473557.db2.gz SIWXLYRTTOBRMB-UHFFFAOYSA-N 0 3 285.387 3.141 20 30 CGEDHN C=C(CC)CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933712737 639481982 /nfs/dbraw/zinc/48/19/82/639481982.db2.gz KTIJBJYUYOGYOA-NSHDSACASA-N 0 3 285.313 3.251 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cnn(CC2CCC2)c1 ZINC000934558546 639631956 /nfs/dbraw/zinc/63/19/56/639631956.db2.gz DSVCNMIIUKEJLD-JGGQBBKZSA-N 0 3 272.396 3.026 20 30 CGEDHN C#CCCCCCCN1CCOC[C@H]1CC1CCOCC1 ZINC000934634271 639647314 /nfs/dbraw/zinc/64/73/14/639647314.db2.gz FIPAOKZOTFXWGC-GOSISDBHSA-N 0 3 293.451 3.088 20 30 CGEDHN C=CCCCN(CC)Cc1cc(F)cc2c1OCOC2 ZINC000934651285 639649776 /nfs/dbraw/zinc/64/97/76/639649776.db2.gz PUFTUYGRFJOELP-UHFFFAOYSA-N 0 3 279.355 3.480 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000935985932 639878080 /nfs/dbraw/zinc/87/80/80/639878080.db2.gz QXZDHRCZNRIDJD-BBRMVZONSA-N 0 3 292.398 3.147 20 30 CGEDHN C#CCOc1ccccc1CN(C)Cc1ccccc1O ZINC000091974491 640727396 /nfs/dbraw/zinc/72/73/96/640727396.db2.gz UKKPQEMOFQUWNE-UHFFFAOYSA-N 0 3 281.355 3.036 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000092540626 640739195 /nfs/dbraw/zinc/73/91/95/640739195.db2.gz XOOZTLRHJIKBLW-MELADBBJSA-N 0 3 290.432 3.303 20 30 CGEDHN C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(F)ccc1[O-] ZINC000094617638 640799700 /nfs/dbraw/zinc/79/97/00/640799700.db2.gz YKXFMFWDPLYOAI-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001014646026 640975390 /nfs/dbraw/zinc/97/53/90/640975390.db2.gz AJELYBMAPGRBBV-OAHLLOKOSA-N 0 3 286.419 3.190 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCCC1 ZINC001017330408 641011810 /nfs/dbraw/zinc/01/18/10/641011810.db2.gz FHZYYGDTUHTARY-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC1 ZINC001017823217 641017514 /nfs/dbraw/zinc/01/75/14/641017514.db2.gz UIGHUOYJQMEQRV-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCCC1 ZINC001018165060 641020506 /nfs/dbraw/zinc/02/05/06/641020506.db2.gz HKLDTKAEJZSNKU-OIISXLGYSA-N 0 3 290.451 3.064 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC1CCCCCC1 ZINC001155509821 805587332 /nfs/dbraw/zinc/58/73/32/805587332.db2.gz NTGDCMXJFBVANA-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)CCCCCC ZINC001155924263 805626414 /nfs/dbraw/zinc/62/64/14/805626414.db2.gz FMTBJDQTLPITOU-IAGOWNOFSA-N 0 3 294.483 3.443 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001156680119 805726722 /nfs/dbraw/zinc/72/67/22/805726722.db2.gz SVSJPBMAZNZACH-SFHVURJKSA-N 0 3 292.467 3.479 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccccc1C ZINC001157470685 805818971 /nfs/dbraw/zinc/81/89/71/805818971.db2.gz KQMRMJFOTWGCBA-MRXNPFEDSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1oc(C)cc1C ZINC001157774716 805868129 /nfs/dbraw/zinc/86/81/29/805868129.db2.gz CYSUYGSASHEZFO-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)CCCC ZINC001157903702 805901238 /nfs/dbraw/zinc/90/12/38/805901238.db2.gz XRUADVIOTOHADL-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN CN(C)Cc1cccc(C(=O)Nc2cccc(CC#N)c2)c1 ZINC001158295426 805935144 /nfs/dbraw/zinc/93/51/44/805935144.db2.gz ODPLTMFDLYKREZ-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN C=C(CN1CCCCC1)c1nnc(-c2ccc(OC)cc2)o1 ZINC001251995733 805967586 /nfs/dbraw/zinc/96/75/86/805967586.db2.gz QPRTZDCYYRCLRW-UHFFFAOYSA-N 0 3 299.374 3.244 20 30 CGEDHN CCCCCCCC[C@@H](O)CNc1cnc(C)n1C ZINC001252123598 806010862 /nfs/dbraw/zinc/01/08/62/806010862.db2.gz JXHUINBMRRXUMH-CQSZACIVSA-N 0 3 267.417 3.252 20 30 CGEDHN C=CCOC[C@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC001252464794 806048764 /nfs/dbraw/zinc/04/87/64/806048764.db2.gz AFNIJXGTSJTOLB-CVEARBPZSA-N 0 3 295.810 3.040 20 30 CGEDHN C=C[C@](C)(O)CN[C@@H](c1ccncc1)c1ccccc1C ZINC001252541595 806059540 /nfs/dbraw/zinc/05/95/40/806059540.db2.gz PEGQQEGLVCVIDL-ROUUACIJSA-N 0 3 282.387 3.006 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc(Cl)c1F ZINC001252613026 806088154 /nfs/dbraw/zinc/08/81/54/806088154.db2.gz UQHBOXHMYICRNL-GHMZBOCLSA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCC[C@H](O)CNCc1cc(Cl)c(F)cc1F ZINC001252617885 806091597 /nfs/dbraw/zinc/09/15/97/806091597.db2.gz MQMKFYTXMHNPAU-JTQLQIEISA-N 0 3 275.726 3.035 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H]1CCOc2ccc(Cl)cc21 ZINC001252624302 806093550 /nfs/dbraw/zinc/09/35/50/806093550.db2.gz DDUHUMLXGHNQEY-GXTWGEPZSA-N 0 3 281.783 3.080 20 30 CGEDHN C=CCCCCCC[C@H](O)CN[C@H](C)c1cncnc1 ZINC001253249593 806195588 /nfs/dbraw/zinc/19/55/88/806195588.db2.gz KQRUXZKRGXPLDM-ZBFHGGJFSA-N 0 3 277.412 3.015 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)C1CCCC1 ZINC001160069999 806221155 /nfs/dbraw/zinc/22/11/55/806221155.db2.gz YDCCWTGALUPMKP-UHFFFAOYSA-N 0 3 286.847 3.051 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001161155530 806354277 /nfs/dbraw/zinc/35/42/77/806354277.db2.gz OHHCHHBGJUAUGF-MRXNPFEDSA-N 0 3 290.451 3.137 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H](CCO)c2ccc(Cl)cc2)C1 ZINC001254646822 806471677 /nfs/dbraw/zinc/47/16/77/806471677.db2.gz OZWRNWGGSMIOQF-GLQYFDAESA-N 0 3 278.783 3.045 20 30 CGEDHN COc1ccccc1C1(N[C@H]2CC[C@@H](C#N)C2)CCC1 ZINC001254648593 806472443 /nfs/dbraw/zinc/47/24/43/806472443.db2.gz IZBBCSFOPCWSPL-KGLIPLIRSA-N 0 3 270.376 3.356 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001162150479 806515599 /nfs/dbraw/zinc/51/55/99/806515599.db2.gz PAMSWHUQLSQYDB-KBPBESRZSA-N 0 3 298.858 3.073 20 30 CGEDHN C=C[C@H](COC)NCc1ccc2cc(OC)ccc2c1 ZINC001255014488 806526150 /nfs/dbraw/zinc/52/61/50/806526150.db2.gz YJQCCYSHAKWEDB-MRXNPFEDSA-N 0 3 271.360 3.139 20 30 CGEDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(C#N)cc1 ZINC000037508435 798868772 /nfs/dbraw/zinc/86/87/72/798868772.db2.gz UXUSKXUXOWXASI-GFCCVEGCSA-N 0 3 252.317 3.115 20 30 CGEDHN N#CC1(c2ccccc2)CC(NCCC(F)(F)F)C1 ZINC000086038157 798944469 /nfs/dbraw/zinc/94/44/69/798944469.db2.gz KROOIZKYAMLVGT-UHFFFAOYSA-N 0 3 268.282 3.152 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccsc2)cc1 ZINC000128430131 799018944 /nfs/dbraw/zinc/01/89/44/799018944.db2.gz UISMYDWCEJWKIX-CQSZACIVSA-N 0 3 298.367 3.272 20 30 CGEDHN C#CCCCNCc1cc(F)ccc1Br ZINC000161006013 799078635 /nfs/dbraw/zinc/07/86/35/799078635.db2.gz MFTAGAIJDCTAMX-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN N#CC(C(=O)[C@H]1CC2CCC1CC2)c1ccccn1 ZINC000311802950 799225562 /nfs/dbraw/zinc/22/55/62/799225562.db2.gz BWNWGRSQGHHQNZ-HOAMVYINSA-N 0 3 254.333 3.084 20 30 CGEDHN C=CCCCCCCNCc1c(Cl)cnn1C ZINC000394602443 799498320 /nfs/dbraw/zinc/49/83/20/799498320.db2.gz LCEAYBMLXDBTTH-UHFFFAOYSA-N 0 3 255.793 3.300 20 30 CGEDHN C[C@H](CCOCc1ccccc1)NCC(C)(C)C#N ZINC000405220647 799582559 /nfs/dbraw/zinc/58/25/59/799582559.db2.gz MAZCUQVOSUJBCY-CQSZACIVSA-N 0 3 260.381 3.121 20 30 CGEDHN C#C[C@H](NCc1cc(C)nc(Cl)c1)C(C)(C)C ZINC000702309210 799908118 /nfs/dbraw/zinc/90/81/18/799908118.db2.gz SUAOELBKCFYHJF-LBPRGKRZSA-N 0 3 250.773 3.181 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](C)c1cn(CCC)nn1 ZINC000715879657 800150158 /nfs/dbraw/zinc/15/01/58/800150158.db2.gz GGRXPIPXYPZJGA-CHWSQXEVSA-N 0 3 250.390 3.084 20 30 CGEDHN C[C@H]1CCC(C)(C)C[C@@H]1NCc1nc(C#N)cs1 ZINC000717439793 800201938 /nfs/dbraw/zinc/20/19/38/800201938.db2.gz RCELXRRAMSRKOA-JQWIXIFHSA-N 0 3 263.410 3.319 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000809546954 800444542 /nfs/dbraw/zinc/44/45/42/800444542.db2.gz GHHANNDKHCCPRS-SFHVURJKSA-N 0 3 262.356 3.400 20 30 CGEDHN C=CCCNCc1nc(-c2cccc(OC)c2)cs1 ZINC000895330971 800580967 /nfs/dbraw/zinc/58/09/67/800580967.db2.gz SVPKLNAVZJRSLK-UHFFFAOYSA-N 0 3 274.389 3.484 20 30 CGEDHN COC(C)(C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC000932370267 800659330 /nfs/dbraw/zinc/65/93/30/800659330.db2.gz JUZSELVBYTXFFA-LBPRGKRZSA-N 0 3 265.784 3.095 20 30 CGEDHN C=CCN1CCC[C@H](CNC(=O)c2occc2C(C)C)C1 ZINC001023555603 800712154 /nfs/dbraw/zinc/71/21/54/800712154.db2.gz XSMUJGHTSOVMJD-CQSZACIVSA-N 0 3 290.407 3.031 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001028050494 800829598 /nfs/dbraw/zinc/82/95/98/800829598.db2.gz SOZDMUKLZVOZPF-INIZCTEOSA-N 0 3 298.430 3.253 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280184 800838002 /nfs/dbraw/zinc/83/80/02/800838002.db2.gz HYQWEMLAPOSPGY-KRWDZBQOSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028338819 800842008 /nfs/dbraw/zinc/84/20/08/800842008.db2.gz IASJADOFIAXTOC-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(C)C ZINC001032809522 800935803 /nfs/dbraw/zinc/93/58/03/800935803.db2.gz QKJQXPPKKUOFIK-HRCADAONSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033101377 800952085 /nfs/dbraw/zinc/95/20/85/800952085.db2.gz FOJCHBVANFURAU-SJORKVTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033617887 800970968 /nfs/dbraw/zinc/97/09/68/800970968.db2.gz SLNRQFLNEMDDDH-QGZVFWFLSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001034222369 801012448 /nfs/dbraw/zinc/01/24/48/801012448.db2.gz CLKHAIYLTMQPGV-IRXDYDNUSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001034263727 801014303 /nfs/dbraw/zinc/01/43/03/801014303.db2.gz BLQQYFZBUALSBQ-SJORKVTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034331051 801017175 /nfs/dbraw/zinc/01/71/75/801017175.db2.gz POBVPPLJKHQILG-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2occc2CC)C1 ZINC001034386222 801022855 /nfs/dbraw/zinc/02/28/55/801022855.db2.gz XLOWHPSAMWDLBM-HNNXBMFYSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001038468640 801126811 /nfs/dbraw/zinc/12/68/11/801126811.db2.gz IWVVLWPQNUWKAS-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001038663124 801130738 /nfs/dbraw/zinc/13/07/38/801130738.db2.gz MTFFIGCYLOEFBM-AWEZNQCLSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001038956123 801138407 /nfs/dbraw/zinc/13/84/07/801138407.db2.gz MGEJWDZPIFTTAK-GOSISDBHSA-N 0 3 294.398 3.220 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@H]21 ZINC001042241313 801203988 /nfs/dbraw/zinc/20/39/88/801203988.db2.gz WGSZWCQXEFCLCB-SJLPKXTDSA-N 0 3 296.414 3.052 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(CC)CCCC3)C[C@H]21 ZINC001042292797 801205266 /nfs/dbraw/zinc/20/52/66/801205266.db2.gz XLMSIHFUCQZOPG-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001046320543 801307844 /nfs/dbraw/zinc/30/78/44/801307844.db2.gz JMCOLKOYWZZZBS-RDJZCZTQSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C)sc2C)C1 ZINC001046465073 801311637 /nfs/dbraw/zinc/31/16/37/801311637.db2.gz WGVSUVDZOHBFTI-MRXNPFEDSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCC1(C(=O)N(C)CCN2CCCCC2)CCCCC1 ZINC001164154848 806904531 /nfs/dbraw/zinc/90/45/31/806904531.db2.gz AWQAPCCMNKXUGF-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)c(C)c1 ZINC001049872309 801391752 /nfs/dbraw/zinc/39/17/52/801391752.db2.gz RCXCWULJMSJACY-ZWKOTPCHSA-N 0 3 298.430 3.168 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071714815 801547169 /nfs/dbraw/zinc/54/71/69/801547169.db2.gz BBMHNYUCNAMLBZ-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2occc2Cl)CC[C@@H]1C ZINC001071796557 801551899 /nfs/dbraw/zinc/55/18/99/801551899.db2.gz UAWKYERIDFEPSK-RYUDHWBXSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001075602805 801606859 /nfs/dbraw/zinc/60/68/59/801606859.db2.gz OGXIULYUDNMBCI-DLBZAZTESA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001085669232 801697605 /nfs/dbraw/zinc/69/76/05/801697605.db2.gz VNDWZMXLSPYFOO-IRXDYDNUSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085800886 801705862 /nfs/dbraw/zinc/70/58/62/801705862.db2.gz DXUCPWQUJDVMHN-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1CC ZINC001087519402 801754525 /nfs/dbraw/zinc/75/45/25/801754525.db2.gz MGHALRQPAUUWSO-JKSUJKDBSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC001089015975 801816723 /nfs/dbraw/zinc/81/67/23/801816723.db2.gz BAUVQRCYFQRNNW-WBVHZDCISA-N 0 3 286.419 3.072 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC001089053920 801818256 /nfs/dbraw/zinc/81/82/56/801818256.db2.gz SUIQZIHKQAIXNV-KDOFPFPSSA-N 0 3 298.430 3.333 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1C ZINC001089055071 801819190 /nfs/dbraw/zinc/81/91/90/801819190.db2.gz UQOMSAOKRXBMDS-CTMQZQKCSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001089606087 801846440 /nfs/dbraw/zinc/84/64/40/801846440.db2.gz VPFAETBFGNTJAX-CVEARBPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C2=CCCCCC2)C1 ZINC001091000042 801852071 /nfs/dbraw/zinc/85/20/71/801852071.db2.gz JHXHLUQNSNJDHO-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001091333306 801855629 /nfs/dbraw/zinc/85/56/29/801855629.db2.gz LOVHALNYGNUWGQ-XSSWMBKUSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001098944011 801922985 /nfs/dbraw/zinc/92/29/85/801922985.db2.gz HEPHMQJZQJXQSX-UJMHRVFCSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2CC)C1 ZINC001099002918 801924039 /nfs/dbraw/zinc/92/40/39/801924039.db2.gz UQQHHABMSKUEPR-LPHOPBHVSA-N 0 3 298.430 3.019 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CC(CC)CC)C1 ZINC001100793992 801964418 /nfs/dbraw/zinc/96/44/18/801964418.db2.gz CCEOLDBPNFJLAC-UHFFFAOYSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=C)C ZINC001109327879 802112891 /nfs/dbraw/zinc/11/28/91/802112891.db2.gz AKNGULCGTGRERB-IKGGRYGDSA-N 0 3 288.435 3.052 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)CCC1 ZINC001109680655 802122605 /nfs/dbraw/zinc/12/26/05/802122605.db2.gz SNKQKZJZANAOEX-PMPSAXMXSA-N 0 3 288.435 3.030 20 30 CGEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001110368871 802139087 /nfs/dbraw/zinc/13/90/87/802139087.db2.gz PLVNFMLICSIHPW-KURKYZTESA-N 0 3 298.430 3.183 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(CC)CC)C2 ZINC001110442380 802141975 /nfs/dbraw/zinc/14/19/75/802141975.db2.gz KFSFPILZKRMQLO-OAGGEKHMSA-N 0 3 276.424 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001110519400 802145103 /nfs/dbraw/zinc/14/51/03/802145103.db2.gz UVDBTFGCPZBZPM-JJXSEGSLSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001110902280 802149004 /nfs/dbraw/zinc/14/90/04/802149004.db2.gz SLWMWNKHQFIQBU-KFWWJZLASA-N 0 3 292.467 3.356 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001110891915 802149377 /nfs/dbraw/zinc/14/93/77/802149377.db2.gz FINSZIMHKPCNMM-YJNKXOJESA-N 0 3 296.430 3.058 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCC2CCC2)CC1 ZINC001112755926 802187416 /nfs/dbraw/zinc/18/74/16/802187416.db2.gz UCUOYKRIFYSGBX-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC001113003096 802198537 /nfs/dbraw/zinc/19/85/37/802198537.db2.gz QLGBDXMJRBXHIT-IRXDYDNUSA-N 0 3 290.451 3.232 20 30 CGEDHN CC(C)(C)N1CCN(c2nccc3ccc(C#N)cc32)CC1 ZINC001165091699 806969354 /nfs/dbraw/zinc/96/93/54/806969354.db2.gz XQLCNSQSCFXAGO-UHFFFAOYSA-N 0 3 294.402 3.027 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC001113250212 802211481 /nfs/dbraw/zinc/21/14/81/802211481.db2.gz RYAWCNZQGCUIKU-OAHLLOKOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CCCCCC ZINC001115106741 802252822 /nfs/dbraw/zinc/25/28/22/802252822.db2.gz ZXFQISPCHIUWMS-CBZIJGRNSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C=C2CCC2)CCCCC1 ZINC001115477014 802265431 /nfs/dbraw/zinc/26/54/31/802265431.db2.gz OXXLXDJECURHOF-UHFFFAOYSA-N 0 3 296.842 3.258 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256791954 806979371 /nfs/dbraw/zinc/97/93/71/806979371.db2.gz GLHPCBJLMKDYQR-OAGGEKHMSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)CSC(C)C)CC1 ZINC001266384357 808254047 /nfs/dbraw/zinc/25/40/47/808254047.db2.gz FVWDFFJKAVEYST-UHFFFAOYSA-N 0 3 298.496 3.017 20 30 CGEDHN C[C@H](CCCC#N)N1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001172490971 808351164 /nfs/dbraw/zinc/35/11/64/808351164.db2.gz BEASDJVFUCURBE-CHWSQXEVSA-N 0 3 282.384 3.095 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)/C(C)=C/CC)C2 ZINC001120747177 802771969 /nfs/dbraw/zinc/77/19/69/802771969.db2.gz OAIMLIGDEJJFBG-VZUCSPMQSA-N 0 3 296.842 3.112 20 30 CGEDHN N#CC(C(=O)CCC(=O)c1ccccc1)c1cccc(F)n1 ZINC001122631708 802877398 /nfs/dbraw/zinc/87/73/98/802877398.db2.gz ITMNIJMNRWMCSF-CYBMUJFWSA-N 0 3 296.301 3.060 20 30 CGEDHN N#CC(C(=O)c1ccoc1)c1nccn1Cc1ccccc1 ZINC001122704588 802880817 /nfs/dbraw/zinc/88/08/17/802880817.db2.gz SQJOGLJSGOGRFL-OAHLLOKOSA-N 0 3 291.310 3.014 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1cccs1 ZINC001123234613 802920451 /nfs/dbraw/zinc/92/04/51/802920451.db2.gz YLMROHYUJWRGGM-CYBMUJFWSA-N 0 3 287.388 3.164 20 30 CGEDHN C[C@@H]1CCC[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123383086 802939483 /nfs/dbraw/zinc/93/94/83/802939483.db2.gz ZBFOVIPPFJIPSE-FOGDFJRCSA-N 0 3 278.302 3.362 20 30 CGEDHN C=C(CC(C)C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001123779434 802969301 /nfs/dbraw/zinc/96/93/01/802969301.db2.gz GGZBJNNZUABRBW-INIZCTEOSA-N 0 3 292.398 3.147 20 30 CGEDHN CC#CCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001205137338 812883865 /nfs/dbraw/zinc/88/38/65/812883865.db2.gz WHRNMFXRAVNPIF-UHFFFAOYSA-N 0 3 286.253 3.117 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001131899944 803356584 /nfs/dbraw/zinc/35/65/84/803356584.db2.gz RGQWDKMGVXTCJH-DOTOQJQBSA-N 0 3 286.419 3.122 20 30 CGEDHN C#CCCCCC(=O)N[C@@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001131976434 803362790 /nfs/dbraw/zinc/36/27/90/803362790.db2.gz KMLJIBOJAIIKKT-DLBZAZTESA-N 0 3 290.451 3.115 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132056986 803369659 /nfs/dbraw/zinc/36/96/59/803369659.db2.gz ICPBBETWFUZVGF-NVXWUHKLSA-N 0 3 290.451 3.300 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132060125 803370852 /nfs/dbraw/zinc/37/08/52/803370852.db2.gz ACNVGKVUTHIBEE-LSDHHAIUSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CC(C)C)CC2)CC[C@@H]1C ZINC001132086956 803373303 /nfs/dbraw/zinc/37/33/03/803373303.db2.gz KYHHJNAXUJHETG-HOTGVXAUSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCCF)C2)CCC1 ZINC001132281812 803389812 /nfs/dbraw/zinc/38/98/12/803389812.db2.gz FSWFVBLEMLSOFP-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN N#Cc1ccc(F)c(-c2ncccc2CN2CCCC2)c1 ZINC001244552421 803434291 /nfs/dbraw/zinc/43/42/91/803434291.db2.gz IAOCTIUUJVCXOS-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C=CCN1CCC(NC(=O)/C=C(\C)c2ccccc2C)CC1 ZINC001136669895 803649483 /nfs/dbraw/zinc/64/94/83/803649483.db2.gz UOJNSMKXOROORM-JQIJEIRASA-N 0 3 298.430 3.165 20 30 CGEDHN C=C(C)CN(CC)Cc1[nH]c(C)c(CCC(=O)OC)c1C ZINC001136921226 803659775 /nfs/dbraw/zinc/65/97/75/803659775.db2.gz VZNJPLIFCQFUQV-UHFFFAOYSA-N 0 3 292.423 3.135 20 30 CGEDHN C=CCCCCN(C)Cc1ccc(C(=O)OC)cc1OC ZINC001137455003 803734438 /nfs/dbraw/zinc/73/44/38/803734438.db2.gz APWNDYVFQGNCID-UHFFFAOYSA-N 0 3 291.391 3.270 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137770243 803770759 /nfs/dbraw/zinc/77/07/59/803770759.db2.gz DEMQHTOVGQRPDF-UHFFFAOYSA-N 0 3 292.386 3.269 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](F)CC2)c1[O-] ZINC001138624355 803982986 /nfs/dbraw/zinc/98/29/86/803982986.db2.gz FICJUMFKGHUAHT-OAHLLOKOSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](F)CC2)c1[O-] ZINC001138624355 803982991 /nfs/dbraw/zinc/98/29/91/803982991.db2.gz FICJUMFKGHUAHT-OAHLLOKOSA-N 0 3 263.356 3.445 20 30 CGEDHN N#C[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001138882589 804062395 /nfs/dbraw/zinc/06/23/95/804062395.db2.gz KJOVLUBWMFCIPX-ZDUSSCGKSA-N 0 3 298.365 3.341 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](CF)C1 ZINC001139029788 804114744 /nfs/dbraw/zinc/11/47/44/804114744.db2.gz NVKPPRMHXQFYMB-CQSZACIVSA-N 0 3 263.356 3.433 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccccn2)cc1F ZINC001139527265 804202152 /nfs/dbraw/zinc/20/21/52/804202152.db2.gz CWGSUXDWRYKVGJ-KRWDZBQOSA-N 0 3 295.361 3.299 20 30 CGEDHN CCCO[C@@H]1CCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139702831 804259192 /nfs/dbraw/zinc/25/91/92/804259192.db2.gz BGDUTRUCEVDXAI-OAHLLOKOSA-N 0 3 283.375 3.040 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cn1 ZINC001140543609 804458162 /nfs/dbraw/zinc/45/81/62/804458162.db2.gz CSUNHLIBKAKSTH-HOCLYGCPSA-N 0 3 255.365 3.108 20 30 CGEDHN C=CCC1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001140633233 804478515 /nfs/dbraw/zinc/47/85/15/804478515.db2.gz GJRXYVSPJKEONT-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN CN(Cc1cc(F)c(C#N)c(F)c1)CC(C)(C)C ZINC001140754100 804506535 /nfs/dbraw/zinc/50/65/35/804506535.db2.gz PADNQKWZDQCQKB-UHFFFAOYSA-N 0 3 252.308 3.314 20 30 CGEDHN COc1ccc(F)c(F)c1CNC1CCC(C#N)CC1 ZINC001256955900 807015457 /nfs/dbraw/zinc/01/54/57/807015457.db2.gz CYEMHWXTMRGAKT-UHFFFAOYSA-N 0 3 280.318 3.145 20 30 CGEDHN Cc1ccn2cc(CN(C)C3CCC(C#N)CC3)nc2c1 ZINC001256970983 807021341 /nfs/dbraw/zinc/02/13/41/807021341.db2.gz IOBJZNNRBKVIEX-UHFFFAOYSA-N 0 3 282.391 3.157 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141161806 804601981 /nfs/dbraw/zinc/60/19/81/804601981.db2.gz YUPCHQYATJVKGI-UHFFFAOYSA-N 0 3 269.344 3.286 20 30 CGEDHN CSc1nc(CN2CCC[C@H]2C(C)C)ccc1C#N ZINC001141943571 804682247 /nfs/dbraw/zinc/68/22/47/804682247.db2.gz AHZWDSANPRYAAX-AWEZNQCLSA-N 0 3 275.421 3.296 20 30 CGEDHN N#Cc1ccc(-c2noc([C@@H]3CCCN3)n2)c2ccccc12 ZINC001247497311 804751550 /nfs/dbraw/zinc/75/15/50/804751550.db2.gz HYQUMJCAVKUYDK-HNNXBMFYSA-N 0 3 290.326 3.186 20 30 CGEDHN COc1cc(C)cc(CN2CCC[C@@H](CC#N)C2)c1 ZINC001143156093 804811488 /nfs/dbraw/zinc/81/14/88/804811488.db2.gz DJGJYPZJHVCGSU-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN C=CCN(C)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143349489 804837290 /nfs/dbraw/zinc/83/72/90/804837290.db2.gz HOOULQBPDDMMJS-UHFFFAOYSA-N 0 3 259.271 3.332 20 30 CGEDHN CN(CCc1cccc(Cl)c1)Cc1cncc(C#N)c1 ZINC001144079605 804934283 /nfs/dbraw/zinc/93/42/83/804934283.db2.gz WVWSCNQVZPLREH-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@H](CCCC)C(C)C)C2)C1 ZINC001148851940 805213299 /nfs/dbraw/zinc/21/32/99/805213299.db2.gz WHCGGGGCNDDALI-MRXNPFEDSA-N 0 3 292.467 3.169 20 30 CGEDHN CN(C)Cc1cccc(CC(=O)c2ccc(C#N)cc2)c1 ZINC001250208694 805491698 /nfs/dbraw/zinc/49/16/98/805491698.db2.gz XSHYJGLQAQNBGX-UHFFFAOYSA-N 0 3 278.355 3.045 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C2(CCC)CC2)CC1 ZINC001167057084 807138862 /nfs/dbraw/zinc/13/88/62/807138862.db2.gz MLNXMDVEXDTNNY-UHFFFAOYSA-N 0 3 298.858 3.195 20 30 CGEDHN CCCCCCCCCC[C@H](C)NC1CS(=O)(=O)C1 ZINC001257548272 807195141 /nfs/dbraw/zinc/19/51/41/807195141.db2.gz VBXDWNRQJNXGDU-AWEZNQCLSA-N 0 3 289.485 3.292 20 30 CGEDHN CCCCCCCN(C)C1(C(=O)OC)CCCC1 ZINC001167772085 807247626 /nfs/dbraw/zinc/24/76/26/807247626.db2.gz FUEGBBOFINJFHU-UHFFFAOYSA-N 0 3 255.402 3.374 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCC[C@H]1C(=O)OC ZINC001258039866 807271258 /nfs/dbraw/zinc/27/12/58/807271258.db2.gz ZYXADZCHUDQQCS-KGLIPLIRSA-N 0 3 255.402 3.373 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCC(=O)[C@H](C(=O)OCC)C1 ZINC001258044772 807273600 /nfs/dbraw/zinc/27/36/00/807273600.db2.gz UWGFUDZOWKGIJD-HUUCEWRRSA-N 0 3 297.439 3.190 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCC(O)=C(C(=O)OCC)C1 ZINC001258044772 807273608 /nfs/dbraw/zinc/27/36/08/807273608.db2.gz UWGFUDZOWKGIJD-HUUCEWRRSA-N 0 3 297.439 3.190 20 30 CGEDHN CSC(C)(C)C[C@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001258324047 807410597 /nfs/dbraw/zinc/41/05/97/807410597.db2.gz LUAXNONPGDBZRF-VIFPVBQESA-N 0 3 285.844 3.361 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001168542976 807442150 /nfs/dbraw/zinc/44/21/50/807442150.db2.gz RHNUUCYSNORPGM-CZUORRHYSA-N 0 3 281.346 3.333 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CCCCC(C)C ZINC001168715589 807495500 /nfs/dbraw/zinc/49/55/00/807495500.db2.gz OCBCXXZXNKNVHA-UHFFFAOYSA-N 0 3 274.836 3.051 20 30 CGEDHN N#C[C@@H]1CCCN([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734688 807498595 /nfs/dbraw/zinc/49/85/95/807498595.db2.gz KGHPOQFOAJKDRJ-TZMCWYRMSA-N 0 3 274.795 3.433 20 30 CGEDHN CCCCCCC[C@H](CC(C)C)n1[nH]c(=O)nc1CN ZINC001258713560 807563952 /nfs/dbraw/zinc/56/39/52/807563952.db2.gz ATQBNKDUSZWUFZ-CYBMUJFWSA-N 0 3 282.432 3.390 20 30 CGEDHN C=CCC[C@H](C)NCc1cn(Cc2cccc(OC)c2)cn1 ZINC001258724348 807572177 /nfs/dbraw/zinc/57/21/77/807572177.db2.gz UTOGAVIYXKIXEA-HNNXBMFYSA-N 0 3 299.418 3.384 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001258732281 807577609 /nfs/dbraw/zinc/57/76/09/807577609.db2.gz KWVAXRMDOIENJM-AWEZNQCLSA-N 0 3 294.439 3.426 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H](C)C[C@@H]1C(=O)OCC ZINC001258732174 807578091 /nfs/dbraw/zinc/57/80/91/807578091.db2.gz JNULRFZHBGQDEH-HZSPNIEDSA-N 0 3 253.386 3.005 20 30 CGEDHN C=CCC[C@@H](C)N1CCc2ncc(Cl)cc2C1 ZINC001258733512 807578757 /nfs/dbraw/zinc/57/87/57/807578757.db2.gz HLUCZYZPPFUDGH-LLVKDONJSA-N 0 3 250.773 3.448 20 30 CGEDHN CC(C)(C)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1F ZINC001262045157 807813972 /nfs/dbraw/zinc/81/39/72/807813972.db2.gz HWLRHGCCJGIJKW-AWEZNQCLSA-N 0 3 291.370 3.083 20 30 CGEDHN C=CCC[C@@H](NCc1cnc(C)o1)[C@]1(C)CCCCO1 ZINC001262160298 807830690 /nfs/dbraw/zinc/83/06/90/807830690.db2.gz AQWMYUUJUALVQJ-CVEARBPZSA-N 0 3 278.396 3.367 20 30 CGEDHN C#C[C@@H](CC)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001262571065 807871910 /nfs/dbraw/zinc/87/19/10/807871910.db2.gz LQQGTGVNESJZDO-GXFFZTMASA-N 0 3 272.175 3.028 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cccc(C)c1C ZINC001263085945 807932072 /nfs/dbraw/zinc/93/20/72/807932072.db2.gz OYCKPZUFDNEVNF-GDBMZVCRSA-N 0 3 274.408 3.164 20 30 CGEDHN C=CCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC1 ZINC001263664876 807992125 /nfs/dbraw/zinc/99/21/25/807992125.db2.gz NVNLLSVWOUVXGI-NSHDSACASA-N 0 3 276.286 3.282 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H]1COc2ccc(F)cc21 ZINC001171190061 808004544 /nfs/dbraw/zinc/00/45/44/808004544.db2.gz PGLZCSCKGUXFEM-SJKOYZFVSA-N 0 3 296.345 3.352 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001265085243 808108687 /nfs/dbraw/zinc/10/86/87/808108687.db2.gz CHLFTTLPNIAXDU-UONOGXRCSA-N 0 3 298.858 3.288 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001265274263 808125182 /nfs/dbraw/zinc/12/51/82/808125182.db2.gz AORBEQYNWZESRC-QGZVFWFLSA-N 0 3 298.430 3.221 20 30 CGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001265655513 808165890 /nfs/dbraw/zinc/16/58/90/808165890.db2.gz JOSZVSYDFAFMDH-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN CC(C)(C)C#CCN[C@@H]1CSc2ccccc2C1 ZINC001172200603 808196030 /nfs/dbraw/zinc/19/60/30/808196030.db2.gz LIQZNXRAMKJFIC-AWEZNQCLSA-N 0 3 259.418 3.343 20 30 CGEDHN N#Cc1cc(CN[C@H]2CSc3ccccc3C2)cs1 ZINC001172197883 808196374 /nfs/dbraw/zinc/19/63/74/808196374.db2.gz NXJXUOXYNOUJKA-CYBMUJFWSA-N 0 3 286.425 3.426 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(CC[C@H](C)F)C1 ZINC001266222026 808230526 /nfs/dbraw/zinc/23/05/26/808230526.db2.gz MMWNLHKCHYHGTH-GOEBONIOSA-N 0 3 296.430 3.084 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)Cc1ccccc1C ZINC001266311521 808239964 /nfs/dbraw/zinc/23/99/64/808239964.db2.gz AAQDRRYUEPUNFI-INIZCTEOSA-N 0 3 288.435 3.145 20 30 CGEDHN CCCCCCC[C@@H](CC)N[C@H]1C=CS(=O)(=O)C1 ZINC001172345877 808244628 /nfs/dbraw/zinc/24/46/28/808244628.db2.gz DUUPKVVUNZWKFR-KGLIPLIRSA-N 0 3 273.442 3.026 20 30 CGEDHN CCCCCCC[C@H](CC)N1CC[C@H](S(C)(=O)=O)C1 ZINC001172356565 808252581 /nfs/dbraw/zinc/25/25/81/808252581.db2.gz WZSFTIZTZFKGQG-GJZGRUSLSA-N 0 3 289.485 3.244 20 30 CGEDHN C[C@H](CCCC#N)N[C@@H](c1ccccc1)c1cccnn1 ZINC001172487780 808348404 /nfs/dbraw/zinc/34/84/04/808348404.db2.gz DVZAKPCACWHUAU-PBHICJAKSA-N 0 3 280.375 3.238 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(c2ccc(F)cc2)CC1 ZINC001172493666 808353343 /nfs/dbraw/zinc/35/33/43/808353343.db2.gz NQYALYYQELXOAN-AWEZNQCLSA-N 0 3 275.371 3.030 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(C)[C@@H](c2ccccc2)C1 ZINC001172507124 808362230 /nfs/dbraw/zinc/36/22/30/808362230.db2.gz PMGXLPBDOFSLJW-DOTOQJQBSA-N 0 3 271.408 3.057 20 30 CGEDHN C#CCCN[C@@H](CNC(=O)/C=C/C(C)(C)C)c1ccccc1 ZINC001267518269 808438599 /nfs/dbraw/zinc/43/85/99/808438599.db2.gz ZDKZFANWXRRXEH-UJGDBWEASA-N 0 3 298.430 3.059 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@](C)(C=C)CC)c1ccccc1 ZINC001267523695 808439931 /nfs/dbraw/zinc/43/99/31/808439931.db2.gz WXSSXDVZVXVIEQ-FUHWJXTLSA-N 0 3 286.419 3.222 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001267690484 808470614 /nfs/dbraw/zinc/47/06/14/808470614.db2.gz BTQDSEVNTSPUAE-SFHVURJKSA-N 0 3 290.451 3.137 20 30 CGEDHN CCCCCCCC[C@H](CCC)NC1(CO)COC1 ZINC001173309750 808605641 /nfs/dbraw/zinc/60/56/41/808605641.db2.gz KSUWFNMIUAFUEC-HNNXBMFYSA-N 0 3 271.445 3.257 20 30 CGEDHN C=CCOC1CCC(N(CCCC)CC(=O)OCC)CC1 ZINC001173322778 808611486 /nfs/dbraw/zinc/61/14/86/808611486.db2.gz LZKKSDOXFJVBMM-UHFFFAOYSA-N 0 3 297.439 3.165 20 30 CGEDHN N#CCC1CCN(C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173485113 808645384 /nfs/dbraw/zinc/64/53/84/808645384.db2.gz DQWSFIARDOSCFG-UHFFFAOYSA-N 0 3 276.330 3.058 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001269101107 808647925 /nfs/dbraw/zinc/64/79/25/808647925.db2.gz QGRMLWOHZAOOHM-WRFKIARRSA-N 0 3 298.430 3.165 20 30 CGEDHN CCCN(CCC#N)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173618607 808653913 /nfs/dbraw/zinc/65/39/13/808653913.db2.gz RKCKARJAFFUJEP-ISXOHVOVSA-N 0 3 292.423 3.124 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1CC/C=C/CC ZINC001269272595 808661802 /nfs/dbraw/zinc/66/18/02/808661802.db2.gz LWGKPHDPSRGZRC-MVGZEHJDSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCC2(CN(CC(=C)C)C2)CC1 ZINC001270844912 808750219 /nfs/dbraw/zinc/75/02/19/808750219.db2.gz IZYGOLOPWVREDC-UHFFFAOYSA-N 0 3 290.451 3.089 20 30 CGEDHN C=CCCCN1CCCC[C@]12CC(=O)N([C@@H](C)CC)C2 ZINC001273486903 808847863 /nfs/dbraw/zinc/84/78/63/808847863.db2.gz RJFPVGAKCVNDRN-DOTOQJQBSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CCCCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001276916687 809044835 /nfs/dbraw/zinc/04/48/35/809044835.db2.gz USRMEAOHOCGENV-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)NC(C)(C)C ZINC001277224825 809064598 /nfs/dbraw/zinc/06/45/98/809064598.db2.gz NXDYPVHBGJLWJZ-PBHICJAKSA-N 0 3 280.456 3.336 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001278515695 809139234 /nfs/dbraw/zinc/13/92/34/809139234.db2.gz KSDNYGQFPIXIGP-HZPDHXFCSA-N 0 3 278.440 3.278 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1ccsc1C)C(C)C ZINC001278904796 809155422 /nfs/dbraw/zinc/15/54/22/809155422.db2.gz URVICWRSGMPECM-UHFFFAOYSA-N 0 3 294.464 3.415 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccccc1Cl ZINC001281970487 809226349 /nfs/dbraw/zinc/22/63/49/809226349.db2.gz WHNDCRRZUJEFPB-CYBMUJFWSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)C2=CCCCCC2)C1 ZINC001282003508 809228140 /nfs/dbraw/zinc/22/81/40/809228140.db2.gz XCILWZGTEACBIQ-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001282484671 809251388 /nfs/dbraw/zinc/25/13/88/809251388.db2.gz FXMJECAFFBVSCN-AWEZNQCLSA-N 0 3 274.408 3.046 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001282834470 809264875 /nfs/dbraw/zinc/26/48/75/809264875.db2.gz VYSUYJSJOXIZQQ-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@@H](CC)C(C)C)C(C)(C)C1 ZINC001282833146 809265677 /nfs/dbraw/zinc/26/56/77/809265677.db2.gz NDQBYEYTCKRIBR-HZPDHXFCSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCCC)[C@@H]1C ZINC001284118534 809295940 /nfs/dbraw/zinc/29/59/40/809295940.db2.gz JWKYPQKGCUFURW-GJZGRUSLSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCC(C)=C(C)C1)C(C)C ZINC001284537295 809308571 /nfs/dbraw/zinc/30/85/71/809308571.db2.gz MOULXFVTKOCIDQ-KRWDZBQOSA-N 0 3 292.467 3.478 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CC[C@@H](C)C1)C(C)C ZINC001284544816 809309175 /nfs/dbraw/zinc/30/91/75/809309175.db2.gz PKKAXGXFDOMZPK-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(CC=C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001180375269 809996874 /nfs/dbraw/zinc/99/68/74/809996874.db2.gz NHYDESJAZRCSSK-UHFFFAOYSA-N 0 3 272.323 3.254 20 30 CGEDHN C=CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC001183365586 810146283 /nfs/dbraw/zinc/14/62/83/810146283.db2.gz GXNHIVHXYUMYSM-HZPDHXFCSA-N 0 3 274.408 3.006 20 30 CGEDHN C#CC1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCC1 ZINC001183499737 810150202 /nfs/dbraw/zinc/15/02/02/810150202.db2.gz NRKVPHXISCJROC-UHFFFAOYSA-N 0 3 279.767 3.090 20 30 CGEDHN CCN(C[C@H](C)C#N)C[C@@H]1CCCC12CCOCC2 ZINC001190642777 810641857 /nfs/dbraw/zinc/64/18/57/810641857.db2.gz HRWMNLFPSWJLCI-CABCVRRESA-N 0 3 264.413 3.065 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC001192326976 810788018 /nfs/dbraw/zinc/78/80/18/810788018.db2.gz VZSKYTUCAGWOAZ-JGZYNSJSSA-N 0 3 298.430 3.199 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192680692 810815275 /nfs/dbraw/zinc/81/52/75/810815275.db2.gz VZLDSNQDQMDXLV-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC001193365608 810878398 /nfs/dbraw/zinc/87/83/98/810878398.db2.gz UOIZILMOICIZFL-UHFFFAOYSA-N 0 3 271.282 3.429 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](F)CCCCCC)C1 ZINC001193479260 810894696 /nfs/dbraw/zinc/89/46/96/810894696.db2.gz UHLRVVKSKAMDNA-HUUCEWRRSA-N 0 3 284.419 3.014 20 30 CGEDHN CCCCCCCOC(=O)N[C@]1(C)CCCN(C)C1 ZINC001194020225 811002981 /nfs/dbraw/zinc/00/29/81/811002981.db2.gz OPFGFXXBYZBHNN-OAHLLOKOSA-N 0 3 270.417 3.167 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194306752 811048336 /nfs/dbraw/zinc/04/83/36/811048336.db2.gz WWCOWNCOLHPFTQ-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001195350327 811245856 /nfs/dbraw/zinc/24/58/56/811245856.db2.gz UKUZRDXEJBKMLC-ZIAGYGMSSA-N 0 3 267.413 3.395 20 30 CGEDHN C#CC1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001195463968 811258402 /nfs/dbraw/zinc/25/84/02/811258402.db2.gz QEEBGKRLJZLBFH-UHFFFAOYSA-N 0 3 299.414 3.487 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001196038554 811313319 /nfs/dbraw/zinc/31/33/19/811313319.db2.gz BWPLFHUACZSXOJ-HZPDHXFCSA-N 0 3 276.424 3.351 20 30 CGEDHN C#CCCN1CCCN(C(=O)C[C@H](CC)CCCC)CC1 ZINC001196574761 811353119 /nfs/dbraw/zinc/35/31/19/811353119.db2.gz RJUIJYWBHXUOQH-QGZVFWFLSA-N 0 3 292.467 3.151 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC001197032787 811391022 /nfs/dbraw/zinc/39/10/22/811391022.db2.gz SKILVWIQARMDPI-GJZGRUSLSA-N 0 3 291.847 3.376 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001197038866 811394069 /nfs/dbraw/zinc/39/40/69/811394069.db2.gz ZLJBUOGRMNDQPZ-CNZFZVQHSA-N 0 3 292.467 3.479 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001197943310 811466094 /nfs/dbraw/zinc/46/60/94/811466094.db2.gz PUYXZVHJQAVSLW-HNNXBMFYSA-N 0 3 280.456 3.169 20 30 CGEDHN CCCCCCCCCN1CCN(CCF)CC1 ZINC001201846970 811970978 /nfs/dbraw/zinc/97/09/78/811970978.db2.gz QJAOQUNLZSGGMK-UHFFFAOYSA-N 0 3 258.425 3.324 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)cc1 ZINC001204297659 812603206 /nfs/dbraw/zinc/60/32/06/812603206.db2.gz MMOWIAIKEKCEGC-WMZOPIPTSA-N 0 3 287.403 3.252 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(C(F)(F)F)nc1 ZINC001205442201 812983789 /nfs/dbraw/zinc/98/37/89/812983789.db2.gz UXZYQOZSKHXDRM-UHFFFAOYSA-N 0 3 258.287 3.498 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]2Cc2ccccn2)ccc1F ZINC001205479200 812989219 /nfs/dbraw/zinc/98/92/19/812989219.db2.gz VUODVOSFTCQPBG-QGZVFWFLSA-N 0 3 295.361 3.299 20 30 CGEDHN N#CC1(c2ccccc2)CCN(C[C@@H]2CCCCO2)CC1 ZINC001207954373 813679294 /nfs/dbraw/zinc/67/92/94/813679294.db2.gz OPQBDDXKIQBZDK-KRWDZBQOSA-N 0 3 284.403 3.113 20 30 CGEDHN C[C@H](c1ccccc1)N(CCN(C)C)C1=CC(=O)CCC1 ZINC001208132396 813700044 /nfs/dbraw/zinc/70/00/44/813700044.db2.gz SLLVINFFEKKQQS-OAHLLOKOSA-N 0 3 286.419 3.248 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC1 ZINC001208171724 813725994 /nfs/dbraw/zinc/72/59/94/813725994.db2.gz YDDXTIVIGPIJDB-KFWWJZLASA-N 0 3 283.362 3.255 20 30 CGEDHN COC(=O)[C@H](C)CN(CCC#N)C1CCCCCCC1 ZINC001208719121 813814096 /nfs/dbraw/zinc/81/40/96/813814096.db2.gz PHLCTDWWLWFQGJ-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN CN(CCCc1ccc(C#N)cc1)Cc1ccccn1 ZINC001208860872 813872655 /nfs/dbraw/zinc/87/26/55/813872655.db2.gz VDQLBRVANAPDPA-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN Cc1cnc2c(c1)CN(CCCc1ccc(C#N)cc1)CC2 ZINC001208864703 813874401 /nfs/dbraw/zinc/87/44/01/813874401.db2.gz QEQKMSKCPWXOOW-UHFFFAOYSA-N 0 3 291.398 3.253 20 30 CGEDHN CN1CC=C(Nc2ccccc2-c2ccc(C#N)cn2)CC1 ZINC001208980044 813910884 /nfs/dbraw/zinc/91/08/84/813910884.db2.gz OVXWEUMJSVPQHH-UHFFFAOYSA-N 0 3 290.370 3.252 20 30 CGEDHN N#CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001209115205 813937451 /nfs/dbraw/zinc/93/74/51/813937451.db2.gz LDNKJBLXYYKUJN-UHFFFAOYSA-N 0 3 282.309 3.483 20 30 CGEDHN C=CCCCCN1CCN(Cc2ccccc2F)CC1 ZINC001209202477 813965987 /nfs/dbraw/zinc/96/59/87/813965987.db2.gz HZMAXVKODGGFIX-UHFFFAOYSA-N 0 3 276.399 3.300 20 30 CGEDHN CCCCN(CCC#N)CC1C[C@@H](C)O[C@H](C)C1 ZINC001209388657 814010277 /nfs/dbraw/zinc/01/02/77/814010277.db2.gz NYMRTYANHXXHBC-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN CN(Cc1cn(C)c2ncccc12)Cc1cccc(C#N)c1 ZINC001209750220 814128469 /nfs/dbraw/zinc/12/84/69/814128469.db2.gz FZLKMYNKVHIXEM-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN CN1CCC(Oc2ccnc(-c3ccccc3C#N)c2)CC1 ZINC001242716065 823110565 /nfs/dbraw/zinc/11/05/65/823110565.db2.gz QUFMOGBGOWWGGW-UHFFFAOYSA-N 0 3 293.370 3.093 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(OC)c2)no1 ZINC001211436150 814892175 /nfs/dbraw/zinc/89/21/75/814892175.db2.gz CPPJGLMXGIOHGY-UHFFFAOYSA-N 0 3 299.374 3.244 20 30 CGEDHN C=CC[C@H](OC[C@H]1COC(C)(C)N1)c1ccccc1 ZINC001217873898 815985447 /nfs/dbraw/zinc/98/54/47/815985447.db2.gz FEEGWWZJFKKKFJ-GJZGRUSLSA-N 0 3 261.365 3.045 20 30 CGEDHN Cc1ccccc1[C@@H](O[C@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC001217908348 815998087 /nfs/dbraw/zinc/99/80/87/815998087.db2.gz COAAWERDZHNPPD-WDSOQIARSA-N 0 3 292.382 3.213 20 30 CGEDHN CC#Cc1cncc(-c2ccc(OC)c(CN(C)C)c2)c1 ZINC001242941768 823181350 /nfs/dbraw/zinc/18/13/50/823181350.db2.gz ZILCMQFTIUCHFW-UHFFFAOYSA-N 0 3 280.371 3.190 20 30 CGEDHN Cc1cc(O[C@@H]2CNCc3ccccc32)c(C)cc1C#N ZINC001218487205 816242152 /nfs/dbraw/zinc/24/21/52/816242152.db2.gz NGQDYYOMYKULEF-GOSISDBHSA-N 0 3 278.355 3.398 20 30 CGEDHN N#Cc1cc2ccc(O[C@@H]3CNCc4ccccc43)cc2[nH]1 ZINC001218491683 816244846 /nfs/dbraw/zinc/24/48/46/816244846.db2.gz WCOIWXUAHYJQPS-GOSISDBHSA-N 0 3 289.338 3.263 20 30 CGEDHN C=CCCN1CC[C@@H]2CN(C(=O)[C@](C)(F)CCCC)[C@@H]2C1 ZINC001221661250 816323611 /nfs/dbraw/zinc/32/36/11/816323611.db2.gz QPQPLJKPRULZKL-BFYDXBDKSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCCCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221780035 816328457 /nfs/dbraw/zinc/32/84/57/816328457.db2.gz YONNWTZRPFLCRT-QZTJIDSGSA-N 0 3 298.430 3.076 20 30 CGEDHN Cc1cc(C#N)cc(C)c1-c1cnccc1N1CCOCC1 ZINC001222657280 816492515 /nfs/dbraw/zinc/49/25/15/816492515.db2.gz NVIJIFJFQCULBS-UHFFFAOYSA-N 0 3 293.370 3.074 20 30 CGEDHN Cc1cc(C#N)cc(C)c1-c1ccc2c(c1)COC21CNC1 ZINC001222672793 816496573 /nfs/dbraw/zinc/49/65/73/816496573.db2.gz ORTMAVQYQSOQAJ-UHFFFAOYSA-N 0 3 290.366 3.171 20 30 CGEDHN CC#CCN1CCC(CNC(=O)C(CCC)CCC)CC1 ZINC001224269463 816765050 /nfs/dbraw/zinc/76/50/50/816765050.db2.gz UCFXPBIMJIJCSY-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(CC)CCC1 ZINC001228080451 817803949 /nfs/dbraw/zinc/80/39/49/817803949.db2.gz SQNMARCSDSIMHW-ZIAGYGMSSA-N 0 3 298.858 3.336 20 30 CGEDHN C=C[C@@H](Oc1ccc2ccccc2c1CN(C)C)C(=O)OC ZINC001228442729 817907954 /nfs/dbraw/zinc/90/79/54/817907954.db2.gz XELCGEYOGFFUGD-MRXNPFEDSA-N 0 3 299.370 3.008 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCC=C ZINC001231170125 818050369 /nfs/dbraw/zinc/05/03/69/818050369.db2.gz NCANYZGLVUYNFX-INIZCTEOSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001231341007 818079519 /nfs/dbraw/zinc/07/95/19/818079519.db2.gz GMVULAJHHNOIFT-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001231621962 818137924 /nfs/dbraw/zinc/13/79/24/818137924.db2.gz MYEDKAXPVHDNJS-FUHWJXTLSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1cc(OC)c(O)cc1O ZINC001231637361 818143897 /nfs/dbraw/zinc/14/38/97/818143897.db2.gz KKUIZEYSEHFNBT-UHFFFAOYSA-N 0 3 299.370 3.295 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@H]2c2cccnc2)c1 ZINC001231656827 818150095 /nfs/dbraw/zinc/15/00/95/818150095.db2.gz SZUALQHSXGRSGC-SFHVURJKSA-N 0 3 262.356 3.400 20 30 CGEDHN CN(CCC#N)c1ccc(CN2CCCC[C@H](F)C2)cc1 ZINC001231815796 818184678 /nfs/dbraw/zinc/18/46/78/818184678.db2.gz BJJALLNVSQMWSB-INIZCTEOSA-N 0 3 289.398 3.360 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)c(Cl)c2)CCC[C@]1(C)O ZINC001232111199 818258042 /nfs/dbraw/zinc/25/80/42/818258042.db2.gz BRFVGJGFCVBDNZ-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232112180 818258085 /nfs/dbraw/zinc/25/80/85/818258085.db2.gz QJOLAKDYSWFELZ-OKILXGFUSA-N 0 3 260.768 3.444 20 30 CGEDHN C=C(C)CN(CC)Cc1cnn(C)c1-c1ccc(OC)cc1 ZINC001232113289 818258251 /nfs/dbraw/zinc/25/82/51/818258251.db2.gz ZQDZFLIIJFUJQK-UHFFFAOYSA-N 0 3 299.418 3.494 20 30 CGEDHN CO[C@H]1CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115402 818260253 /nfs/dbraw/zinc/26/02/53/818260253.db2.gz OBWSPZNKIOCKGG-AWEZNQCLSA-N 0 3 278.783 3.213 20 30 CGEDHN CC(=O)Nc1ccc(CN2CCC[C@@H](CC#N)C2)c(C)c1 ZINC001232187050 818271117 /nfs/dbraw/zinc/27/11/17/818271117.db2.gz DDSWPBPFBZYLGX-HNNXBMFYSA-N 0 3 285.391 3.079 20 30 CGEDHN N#C[C@H]1CCCN(Cc2nccc3ccccc32)CC1 ZINC001232248701 818292210 /nfs/dbraw/zinc/29/22/10/818292210.db2.gz VEFYDJKRMHMFIO-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN COCC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC001232843981 818455195 /nfs/dbraw/zinc/45/51/95/818455195.db2.gz JXCKOOSERSWYCT-LBPRGKRZSA-N 0 3 264.394 3.011 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OC(F)F)nc1 ZINC001232954238 818483131 /nfs/dbraw/zinc/48/31/31/818483131.db2.gz AXIYPDVUHVEVCK-UHFFFAOYSA-N 0 3 256.296 3.081 20 30 CGEDHN Cc1ccc(CN(C)CC2CC(F)(F)C2)c(C#N)c1 ZINC001232967360 818486003 /nfs/dbraw/zinc/48/60/03/818486003.db2.gz JVFMNMWTMBKQFK-UHFFFAOYSA-N 0 3 264.319 3.344 20 30 CGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c(=O)c2ccccc12 ZINC001234007966 818754412 /nfs/dbraw/zinc/75/44/12/818754412.db2.gz NSDBFABWMYTOQN-XMQYKBBCSA-N 0 3 293.370 3.207 20 30 CGEDHN CN1CC[C@@H](Oc2ccccc2C=NNc2ccccc2)C1 ZINC001234078967 818773803 /nfs/dbraw/zinc/77/38/03/818773803.db2.gz FSEJPWKKEUHBFQ-QGZVFWFLSA-N 0 3 295.386 3.216 20 30 CGEDHN C#C[C@@H](CC(C)C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243366 818813937 /nfs/dbraw/zinc/81/39/37/818813937.db2.gz IAQCBXMCDHSXHW-AWEZNQCLSA-N 0 3 293.382 3.323 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234455458 818858913 /nfs/dbraw/zinc/85/89/13/818858913.db2.gz MDESSVAYQLFJLQ-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCC(=C)C ZINC001234518899 818872187 /nfs/dbraw/zinc/87/21/87/818872187.db2.gz YDSUMLFWKVDPAE-QGZVFWFLSA-N 0 3 290.451 3.254 20 30 CGEDHN N#CCc1ccccc1CN1CCC[C@H](C(F)F)C1 ZINC001235522655 819113962 /nfs/dbraw/zinc/11/39/62/819113962.db2.gz HYHSJVUFDZVONE-AWEZNQCLSA-N 0 3 264.319 3.230 20 30 CGEDHN N#Cc1cnc(-c2ccc(CN3CCCCC3)c(F)c2)cn1 ZINC001236233436 819395672 /nfs/dbraw/zinc/39/56/72/819395672.db2.gz MSCGOWVGXIADPL-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN N#Cc1ccc(-c2ccc3c(N)ccnc3c2)c(F)c1 ZINC001236532168 819524758 /nfs/dbraw/zinc/52/47/58/819524758.db2.gz YMIXXBHNJIFVFB-UHFFFAOYSA-N 0 3 263.275 3.495 20 30 CGEDHN Cc1cccc(CN2CCC3SC(=O)C=C3C2)c1Cl ZINC001236852801 819621397 /nfs/dbraw/zinc/62/13/97/819621397.db2.gz DTXCQVBHXJFIRA-ZDUSSCGKSA-N 0 3 293.819 3.423 20 30 CGEDHN CN(Cc1cn(C)c2ccc(C#N)cc12)C1CC(F)(F)C1 ZINC001237467011 819758171 /nfs/dbraw/zinc/75/81/71/819758171.db2.gz QKSUOYGCZWFHHB-UHFFFAOYSA-N 0 3 289.329 3.279 20 30 CGEDHN C#CC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237647967 819796735 /nfs/dbraw/zinc/79/67/35/819796735.db2.gz VLXQVWGRCVWUQV-UHFFFAOYSA-N 0 3 269.319 3.263 20 30 CGEDHN C#CC[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237647967 819796737 /nfs/dbraw/zinc/79/67/37/819796737.db2.gz VLXQVWGRCVWUQV-UHFFFAOYSA-N 0 3 269.319 3.263 20 30 CGEDHN CCCCN1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238194579 819952506 /nfs/dbraw/zinc/95/25/06/819952506.db2.gz PZFNGPCEIDDUTF-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN CN(CCc1ccccn1)Cc1ccc(Cl)c(C#N)c1 ZINC001238196728 819954635 /nfs/dbraw/zinc/95/46/35/819954635.db2.gz PWQIKKXYNVJQPD-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C#CC1CCN(Cc2cnc(C3CC3)c(C)c2)CC1 ZINC001238620728 820065223 /nfs/dbraw/zinc/06/52/23/820065223.db2.gz BNBTVEZYNJTXKF-UHFFFAOYSA-N 0 3 254.377 3.113 20 30 CGEDHN CCc1cc(CN(C)C[C@@H]2CCCCO2)ccc1C#N ZINC001238778101 820115824 /nfs/dbraw/zinc/11/58/24/820115824.db2.gz KNKJDVFOVJLEHC-KRWDZBQOSA-N 0 3 272.392 3.122 20 30 CGEDHN CCc1cc(C2=CCN(C)CC2)cc(CC)c1C#N ZINC001241330659 821737960 /nfs/dbraw/zinc/73/79/60/821737960.db2.gz XDLQGFDOXRBUDP-UHFFFAOYSA-N 0 3 254.377 3.402 20 30 CGEDHN N#CCc1cccc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241501924 821904043 /nfs/dbraw/zinc/90/40/43/821904043.db2.gz GUWIMJCNGQXNEJ-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC001340766669 936413719 /nfs/dbraw/zinc/41/37/19/936413719.db2.gz JCMJCPDVYZSZQJ-ZWNOBZJWSA-N 0 3 298.789 3.340 20 30 CGEDHN C=C1CCC(CNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC001341050728 936425688 /nfs/dbraw/zinc/42/56/88/936425688.db2.gz KZDQCZWFEMYEKA-KRWDZBQOSA-N 0 3 284.403 3.084 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NC1(CC)CCOCC1 ZINC001342215990 936462717 /nfs/dbraw/zinc/46/27/17/936462717.db2.gz QPGZTLDESWOBFP-HNNXBMFYSA-N 0 3 298.471 3.140 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccnn1C1CC1 ZINC001343056314 936488255 /nfs/dbraw/zinc/48/82/55/936488255.db2.gz SXLZSDZGBKJVIQ-CQSZACIVSA-N 0 3 292.427 3.234 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccnn1C1CC1 ZINC001343056311 936488419 /nfs/dbraw/zinc/48/84/19/936488419.db2.gz SXLZSDZGBKJVIQ-AWEZNQCLSA-N 0 3 292.427 3.234 20 30 CGEDHN N#CC(C(=O)C=Cc1ccccc1)c1cccc(F)n1 ZINC001343312958 936494802 /nfs/dbraw/zinc/49/48/02/936494802.db2.gz SJJDLGUTPLSORA-ASCRHOAZSA-N 0 3 266.275 3.110 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1ncccc1OC ZINC001343409690 936499547 /nfs/dbraw/zinc/49/95/47/936499547.db2.gz QDCLHAOQSPBRCE-ZDUSSCGKSA-N 0 3 293.411 3.107 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC1CC(c2ccccc2)C1 ZINC001343852105 936515662 /nfs/dbraw/zinc/51/56/62/936515662.db2.gz LSRUXIMTGNVKFK-AVVWSFFYSA-N 0 3 293.370 3.180 20 30 CGEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1cccc(F)n1 ZINC001344004121 936522000 /nfs/dbraw/zinc/52/20/00/936522000.db2.gz JVMFNPRXDCJPLV-JTQLQIEISA-N 0 3 286.331 3.261 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001479824831 936797687 /nfs/dbraw/zinc/79/76/87/936797687.db2.gz ZFKVXAGZTAFACE-DZGCQCFKSA-N 0 3 296.842 3.064 20 30 CGEDHN C#Cc1cccc(CNCc2cccn2C2CC2)c1 ZINC001347792698 936896195 /nfs/dbraw/zinc/89/61/95/936896195.db2.gz COUJYGOYSVXSHQ-UHFFFAOYSA-N 0 3 250.345 3.094 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCCCCC1 ZINC001349702304 936959086 /nfs/dbraw/zinc/95/90/86/936959086.db2.gz OQUCUXYWJBWXBL-LLVKDONJSA-N 0 3 279.771 3.220 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@H](F)C1 ZINC001352865358 937052029 /nfs/dbraw/zinc/05/20/29/937052029.db2.gz ZJCTWUIYVFICLB-NWDGAFQWSA-N 0 3 250.292 3.068 20 30 CGEDHN C=C(C)CCC(=O)N(CCC)[C@@H]1CCN(CC(=C)C)C1 ZINC001481399409 926978429 /nfs/dbraw/zinc/97/84/29/926978429.db2.gz JLPQBAYMRBJBRY-MRXNPFEDSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCC[C@H]1CCN(C/C=C/Cl)C1 ZINC001481446541 926985493 /nfs/dbraw/zinc/98/54/93/926985493.db2.gz IBXQIWIFBBTXOD-BILQUBDUSA-N 0 3 298.858 3.169 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccc(C#N)cc1 ZINC000336466542 926995413 /nfs/dbraw/zinc/99/54/13/926995413.db2.gz HJPFEEQOFCGBKE-XHDPSFHLSA-N 0 3 266.348 3.010 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\CC ZINC001481671433 927051099 /nfs/dbraw/zinc/05/10/99/927051099.db2.gz QBJRYCZJBMLMSE-FLELRFNZSA-N 0 3 290.451 3.230 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001481692855 927059845 /nfs/dbraw/zinc/05/98/45/927059845.db2.gz ZXKQIZFMCSPOKG-WMZOPIPTSA-N 0 3 290.451 3.280 20 30 CGEDHN C[C@@H]1CC[C@@H]1NCc1cc(C#N)ccc1Br ZINC001355302118 937135312 /nfs/dbraw/zinc/13/53/12/937135312.db2.gz OBESIGGNRMPMOV-RNCFNFMXSA-N 0 3 279.181 3.209 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC=C(C)C)C2)CCCC1 ZINC001481710577 927071705 /nfs/dbraw/zinc/07/17/05/927071705.db2.gz IYFJCLLLBJDQNP-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001481970219 927121741 /nfs/dbraw/zinc/12/17/41/927121741.db2.gz BWNBPLWOXZZLFF-OAHLLOKOSA-N 0 3 296.842 3.068 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CC=C(c2ccc(C)cc2)CC1 ZINC001355742393 937145823 /nfs/dbraw/zinc/14/58/23/937145823.db2.gz XKHGICCRMQAPMU-GOSISDBHSA-N 0 3 298.430 3.294 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCC12CC2)C(C)C ZINC001482537548 927281360 /nfs/dbraw/zinc/28/13/60/927281360.db2.gz MKWUZAMUZXJJIK-UONOGXRCSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(CCSC)cc1 ZINC001357243283 937167759 /nfs/dbraw/zinc/16/77/59/937167759.db2.gz NHGQALVAELHZFA-HNNXBMFYSA-N 0 3 292.448 3.214 20 30 CGEDHN C/C=C(/C)C(=O)NC[C@H]1CCN1CCCCCCC ZINC001483641706 927558343 /nfs/dbraw/zinc/55/83/43/927558343.db2.gz PJWQZQOBBZCWTL-NUKWSGDCSA-N 0 3 266.429 3.114 20 30 CGEDHN C=C[C@@H](C(=O)NC[C@H]1CCN1CCC(=C)C)c1ccccc1 ZINC001483707841 927581012 /nfs/dbraw/zinc/58/10/12/927581012.db2.gz FXJZIOONPKNVKK-QZTJIDSGSA-N 0 3 298.430 3.113 20 30 CGEDHN C#CCCN1CCN([C@@H](C)c2c(C)cc(C)cc2C)CC1 ZINC001307653557 927610951 /nfs/dbraw/zinc/61/09/51/927610951.db2.gz HNRPAQVXCUOPPU-SFHVURJKSA-N 0 3 284.447 3.314 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCC[C@@H](C)CC)C1 ZINC001484045307 927667521 /nfs/dbraw/zinc/66/75/21/927667521.db2.gz PUOZJAPMRPSILI-DOTOQJQBSA-N 0 3 280.456 3.360 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H](C)CC)cc1 ZINC001484560495 927722486 /nfs/dbraw/zinc/72/24/86/927722486.db2.gz ZEZMCLRPEYEFBW-CABCVRRESA-N 0 3 286.419 3.023 20 30 CGEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)CC1CCCCC1 ZINC001484761971 927751234 /nfs/dbraw/zinc/75/12/34/927751234.db2.gz ZZJVXABYMPZXOR-INIZCTEOSA-N 0 3 292.467 3.006 20 30 CGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)CCC)cc2C1 ZINC001484873352 927763650 /nfs/dbraw/zinc/76/36/50/927763650.db2.gz YIVHXAWDYLBCNI-UHFFFAOYSA-N 0 3 286.419 3.385 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCC1CCCC1 ZINC001485047855 927796902 /nfs/dbraw/zinc/79/69/02/927796902.db2.gz QCUWJAYDIOJFFI-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(CC)s1 ZINC001485061711 927802803 /nfs/dbraw/zinc/80/28/03/927802803.db2.gz KAQDDQXDDNYTLV-ZDUSSCGKSA-N 0 3 292.448 3.033 20 30 CGEDHN C#CC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC001473580913 937200462 /nfs/dbraw/zinc/20/04/62/937200462.db2.gz BGOWUBDDDPZHJU-MRXNPFEDSA-N 0 3 271.791 3.427 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ncccc1F ZINC001474575731 937206982 /nfs/dbraw/zinc/20/69/82/937206982.db2.gz CSMRVYDNDZMRNX-OAHLLOKOSA-N 0 3 270.351 3.498 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)CCCC)CCC[C@@H]12 ZINC001486152099 927989978 /nfs/dbraw/zinc/98/99/78/927989978.db2.gz NUVYZQBWKWKYFF-ZMSDIMECSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001486168898 927994836 /nfs/dbraw/zinc/99/48/36/927994836.db2.gz ATMGWJINAYHSCF-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN CCCCCCCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000144368510 928079119 /nfs/dbraw/zinc/07/91/19/928079119.db2.gz KWBGQDJSQLUOHN-CQSZACIVSA-N 0 3 266.429 3.090 20 30 CGEDHN C#CCN(Cc1cnc2ccc(C)cc2c1)C(C)C ZINC001198027656 928269011 /nfs/dbraw/zinc/26/90/11/928269011.db2.gz RPHDNGZSMFCFSD-UHFFFAOYSA-N 0 3 252.361 3.387 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC001489322256 928327591 /nfs/dbraw/zinc/32/75/91/928327591.db2.gz NCVOKOFSBNMYLL-AWEZNQCLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)C(CC)CC)CC1 ZINC001490411120 928359144 /nfs/dbraw/zinc/35/91/44/928359144.db2.gz MKTIYPOPPKPHJD-CQSZACIVSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)CCC)CC1 ZINC001490612162 928377389 /nfs/dbraw/zinc/37/73/89/928377389.db2.gz BKTYHDGIGBYCHU-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN CN1CCc2ccc(NC3=CC[C@H](C#N)CC3)cc2C1 ZINC001212866645 928658808 /nfs/dbraw/zinc/65/88/08/928658808.db2.gz CWCGHWBZTWILHZ-ZDUSSCGKSA-N 0 3 267.376 3.294 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001455690545 937420208 /nfs/dbraw/zinc/42/02/08/937420208.db2.gz RVAWBMNCMGICMQ-OAHLLOKOSA-N 0 3 290.451 3.230 20 30 CGEDHN COc1ccc(C[C@H](C)N(C)Cc2cc(C#N)ccn2)cc1 ZINC001459412336 937487327 /nfs/dbraw/zinc/48/73/27/937487327.db2.gz CXANXWVYAGVILO-AWEZNQCLSA-N 0 3 295.386 3.025 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC001140136402 931957094 /nfs/dbraw/zinc/95/70/94/931957094.db2.gz YWXPUSIGYDZCKM-UONOGXRCSA-N 0 3 258.340 3.319 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@@H](Cc2nc(C)cs2)C1 ZINC001460825524 937547034 /nfs/dbraw/zinc/54/70/34/937547034.db2.gz BNWTUSCEDLQKQQ-KGLIPLIRSA-N 0 3 262.422 3.118 20 30 CGEDHN Cc1cc(CNCc2ccc3c(c2)ncn3C)ccc1C#N ZINC001461750549 937595102 /nfs/dbraw/zinc/59/51/02/937595102.db2.gz AHXMLMDFOCGBLV-UHFFFAOYSA-N 0 3 290.370 3.043 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001230646520 932603206 /nfs/dbraw/zinc/60/32/06/932603206.db2.gz QGKOXLZPHTYPMY-KGLIPLIRSA-N 0 3 292.448 3.249 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1CC/C=C/CCC ZINC001316602127 932745119 /nfs/dbraw/zinc/74/51/19/932745119.db2.gz SNEBHQFWSYWWEC-ZNFPLGDCSA-N 0 3 292.467 3.478 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCCCC(C)(C)C)C1 ZINC001491930568 932797731 /nfs/dbraw/zinc/79/77/31/932797731.db2.gz ZSXRIMVVIXYHJY-INIZCTEOSA-N 0 3 292.467 3.149 20 30 CGEDHN C#CCN(Cc1ccc(Cl)c(OC)c1)CC1CC1 ZINC001307588469 932972607 /nfs/dbraw/zinc/97/26/07/932972607.db2.gz KGDDWVCALLUQMM-UHFFFAOYSA-N 0 3 263.768 3.194 20 30 CGEDHN N#Cc1sccc1N1CCN(CCC2CCCC2)CC1 ZINC001307927944 933022459 /nfs/dbraw/zinc/02/24/59/933022459.db2.gz WBXXVCKEPSJCOZ-UHFFFAOYSA-N 0 3 289.448 3.322 20 30 CGEDHN C[C@H](NCc1ccc2nccnc2c1)c1ccc(C#N)cc1 ZINC001308229815 933076992 /nfs/dbraw/zinc/07/69/92/933076992.db2.gz NPNGNRRMLISNTO-ZDUSSCGKSA-N 0 3 288.354 3.352 20 30 CGEDHN Cn1c(CNCc2ccc(C#N)s2)cc2ccccc21 ZINC001308441615 933111502 /nfs/dbraw/zinc/11/15/02/933111502.db2.gz VPGYVXIUQABKQR-UHFFFAOYSA-N 0 3 281.384 3.401 20 30 CGEDHN CC(C)[C@@H]1C[C@H]1NCc1cc(C#N)ccc1Br ZINC001308557523 933131974 /nfs/dbraw/zinc/13/19/74/933131974.db2.gz NWNZBHPFRBFRES-GXTWGEPZSA-N 0 3 293.208 3.455 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cc2nc(Cl)ccc2s1 ZINC001308724117 933166029 /nfs/dbraw/zinc/16/60/29/933166029.db2.gz MLZBWTNRBJFHCF-SECBINFHSA-N 0 3 264.781 3.403 20 30 CGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001316989291 933507906 /nfs/dbraw/zinc/50/79/06/933507906.db2.gz UCLGIYFYRGVJQG-GFCCVEGCSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNC[C@@H](F)CC ZINC001317187314 933550302 /nfs/dbraw/zinc/55/03/02/933550302.db2.gz YGODNTGUJOAVSQ-GJZGRUSLSA-N 0 3 284.419 3.062 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccccc1C(C)C ZINC001317448871 933594566 /nfs/dbraw/zinc/59/45/66/933594566.db2.gz SXOYFPYCSBPDAB-UHFFFAOYSA-N 0 3 274.408 3.048 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccccc1C ZINC001317462863 933596556 /nfs/dbraw/zinc/59/65/56/933596556.db2.gz KLWLPYLPFKQRIQ-UHFFFAOYSA-N 0 3 288.435 3.145 20 30 CGEDHN C=C(CC)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001466679052 937711445 /nfs/dbraw/zinc/71/14/45/937711445.db2.gz MLCYIHLTFLBCMT-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001467727948 937721532 /nfs/dbraw/zinc/72/15/32/937721532.db2.gz XNONNVDYUGLUGI-HZPDHXFCSA-N 0 3 292.467 3.191 20 30 CGEDHN COCC#CCN1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001319582456 933894675 /nfs/dbraw/zinc/89/46/75/933894675.db2.gz GTLLSARCFQEAOE-MSOLQXFVSA-N 0 3 269.388 3.038 20 30 CGEDHN C#CCCN(C)CCN(C)C(=O)CCC1CCCCCC1 ZINC001320026093 933981264 /nfs/dbraw/zinc/98/12/64/933981264.db2.gz JEHSEYFCBZGIDT-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)CCCC1CCCCC1 ZINC001320080939 933995300 /nfs/dbraw/zinc/99/53/00/933995300.db2.gz QNXQMIMWANFUEG-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC001320304261 934028326 /nfs/dbraw/zinc/02/83/26/934028326.db2.gz WKSOVDQTCRFLSJ-UKRRQHHQSA-N 0 3 293.407 3.336 20 30 CGEDHN C=CCO[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC001320898140 934119438 /nfs/dbraw/zinc/11/94/38/934119438.db2.gz VAVORKLPQOWBPK-CYBMUJFWSA-N 0 3 254.333 3.016 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cc3cc(OC)ccc3o2)C1 ZINC001320968013 934128146 /nfs/dbraw/zinc/12/81/46/934128146.db2.gz WSWSWGJTULOYOX-OAHLLOKOSA-N 0 3 287.359 3.218 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001470970719 937760308 /nfs/dbraw/zinc/76/03/08/937760308.db2.gz XQHIRBFRERQRKM-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](C)CC1CCCCC1 ZINC001323317381 934385468 /nfs/dbraw/zinc/38/54/68/934385468.db2.gz GRSMQNZBCWTBAB-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC001324438685 934504194 /nfs/dbraw/zinc/50/41/94/934504194.db2.gz RIGAYHKNSWXWAS-UHFFFAOYSA-N 0 3 284.363 3.229 20 30 CGEDHN COCC#CCN1CCC(Cc2ccc(C)c(C)c2)CC1 ZINC001473521513 937810109 /nfs/dbraw/zinc/81/01/09/937810109.db2.gz IYZLZBNVEGDAQQ-UHFFFAOYSA-N 0 3 285.431 3.208 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CCCC ZINC001325899923 934938468 /nfs/dbraw/zinc/93/84/68/934938468.db2.gz OMCSPYZEMFOOFA-ARFHVFGLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001328998362 935178267 /nfs/dbraw/zinc/17/82/67/935178267.db2.gz SXTUBXSGWFXGCS-KBPBESRZSA-N 0 3 292.398 3.083 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001329592034 935230984 /nfs/dbraw/zinc/23/09/84/935230984.db2.gz KKXBVNXQWCYGDB-CQSZACIVSA-N 0 3 286.419 3.190 20 30 CGEDHN C(=NN[C@@H]1CCCSC1)c1ccc(N2CCCC2)cc1 ZINC001331363831 935373512 /nfs/dbraw/zinc/37/35/12/935373512.db2.gz LOZVAXQUZVFLSN-OAHLLOKOSA-N 0 3 289.448 3.106 20 30 CGEDHN C#CCCCCCC(=O)N[C@H]1CCCN(CC(=C)C)[C@H]1C ZINC001332197558 935448439 /nfs/dbraw/zinc/44/84/39/935448439.db2.gz CPMXWIMYSFUQGM-IRXDYDNUSA-N 0 3 290.451 3.115 20 30 CGEDHN N#CC[C@@H](O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC001332726070 935485650 /nfs/dbraw/zinc/48/56/50/935485650.db2.gz FFPKEHJRHYQXOB-SJORKVTESA-N 0 3 272.392 3.172 20 30 CGEDHN C=CC[C@H](C)N[C@H](CC)c1nnc2n1CCCCC2 ZINC001333428711 935535127 /nfs/dbraw/zinc/53/51/27/935535127.db2.gz JXDQCJIGKJRUBQ-QWHCGFSZSA-N 0 3 262.401 3.010 20 30 CGEDHN COc1ccc2nccc(N[C@H]3CC[C@@H](CC#N)C3)c2c1 ZINC001333717732 936058662 /nfs/dbraw/zinc/05/86/62/936058662.db2.gz CDVCUUGJHYPSEK-STQMWFEESA-N 0 3 281.359 3.160 20 30 CGEDHN N#CCC1CCN(C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001334746321 936110919 /nfs/dbraw/zinc/11/09/19/936110919.db2.gz MNIWQNIHNCBHBK-CHWSQXEVSA-N 0 3 290.329 3.112 20 30 CGEDHN C=CCCC(=O)NCCN(C)Cc1ccc(Cl)cc1C ZINC001480848271 937946021 /nfs/dbraw/zinc/94/60/21/937946021.db2.gz MOYXTJRVYWMSAO-UHFFFAOYSA-N 0 3 294.826 3.163 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001493939641 937952291 /nfs/dbraw/zinc/95/22/91/937952291.db2.gz UOLYDQYNATUVDL-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC/C=C/CC)C2)C1 ZINC001494324848 937954259 /nfs/dbraw/zinc/95/42/59/937954259.db2.gz RRQGMZLAFQXKAK-JFDDCEBESA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001495337375 937958843 /nfs/dbraw/zinc/95/88/43/937958843.db2.gz HWQYBFMXTHQDAP-AWEZNQCLSA-N 0 3 286.847 3.147 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccsc1 ZINC001507113060 937994352 /nfs/dbraw/zinc/99/43/52/937994352.db2.gz MSDVSQCXSCABKZ-KBPBESRZSA-N 0 3 294.464 3.287 20 30 CGEDHN C=CCN(C)CCN(C(=O)C1CCC2(CC2)CC1)C(C)C ZINC001507817770 937996816 /nfs/dbraw/zinc/99/68/16/937996816.db2.gz KJTLODPYFVPRON-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccsc1C)C(C)C ZINC001507787221 937996901 /nfs/dbraw/zinc/99/69/01/937996901.db2.gz IMLOBRZSHWBFAO-UHFFFAOYSA-N 0 3 280.437 3.025 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001508225582 937998704 /nfs/dbraw/zinc/99/87/04/937998704.db2.gz TWJVPKYHYUOERW-HUUCEWRRSA-N 0 3 292.467 3.239 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CC=CCC1 ZINC001514974831 938004112 /nfs/dbraw/zinc/00/41/12/938004112.db2.gz RQZMYPMLLZMDDN-ZIAGYGMSSA-N 0 3 293.370 3.496 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001520686040 938026891 /nfs/dbraw/zinc/02/68/91/938026891.db2.gz WPDLXXBGOHLLIF-AWEZNQCLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC001521319581 938031230 /nfs/dbraw/zinc/03/12/30/938031230.db2.gz LQSYECMYQZKJEC-JTQLQIEISA-N 0 3 281.425 3.063 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1c(C)cc(OC)c(C)c1C ZINC001521587199 938032916 /nfs/dbraw/zinc/03/29/16/938032916.db2.gz HAUYJFBHZCEBAH-AWEZNQCLSA-N 0 3 290.407 3.243 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2ocnc2C)cc1 ZINC001522788985 938037881 /nfs/dbraw/zinc/03/78/81/938037881.db2.gz AUNHVDQLTVRNMK-OAHLLOKOSA-N 0 3 299.374 3.272 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC001528336152 938066996 /nfs/dbraw/zinc/06/69/96/938066996.db2.gz VQHCXJSXKOXEAY-OAHLLOKOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)C1CCCCC1 ZINC001542881476 938137257 /nfs/dbraw/zinc/13/72/57/938137257.db2.gz KLCKWRPNONRTRI-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CC[C@H](C)N1CCN(c2nc3ccccc3s2)CC1 ZINC001559668500 938232242 /nfs/dbraw/zinc/23/22/42/938232242.db2.gz BNRKYDRIJMYNOU-ZDUSSCGKSA-N 0 3 287.432 3.383 20 30 CGEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC001560209750 938247356 /nfs/dbraw/zinc/24/73/56/938247356.db2.gz WWZXBNVCMRTUFF-OAHLLOKOSA-N 0 3 290.794 3.156 20 30 CGEDHN Cc1cc(C)nc(NCc2cc(C#N)ccc2N(C)C)c1 ZINC001560406000 938257097 /nfs/dbraw/zinc/25/70/97/938257097.db2.gz XUNHLRYXBXDNIP-UHFFFAOYSA-N 0 3 280.375 3.248 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(F)c(OC)c2)c1 ZINC001560503595 938260542 /nfs/dbraw/zinc/26/05/42/938260542.db2.gz RRGDCUYNUPPBIH-UHFFFAOYSA-N 0 3 269.319 3.105 20 30 CGEDHN CC#CC[C@@H](CO)NCc1cccc(Oc2ccccc2)c1 ZINC001560519423 938261268 /nfs/dbraw/zinc/26/12/68/938261268.db2.gz BYHBFDYFJSSUKO-KRWDZBQOSA-N 0 3 295.382 3.343 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1 ZINC001560923753 938284297 /nfs/dbraw/zinc/28/42/97/938284297.db2.gz LXFXDUYESDSIDI-HNNXBMFYSA-N 0 3 269.392 3.431 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC001574902780 960466791 /nfs/dbraw/zinc/46/67/91/960466791.db2.gz GVLPBNJAOAAJDW-HOTGVXAUSA-N 0 3 278.440 3.145 20 30 CGEDHN C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN1CCCCC ZINC001565827301 960587246 /nfs/dbraw/zinc/58/72/46/960587246.db2.gz AGCBEDFHSCABEJ-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001565822329 960829015 /nfs/dbraw/zinc/82/90/15/960829015.db2.gz CZSQIYXXCHNNSO-OAHLLOKOSA-N 0 3 298.446 3.261 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001566671832 960978459 /nfs/dbraw/zinc/97/84/59/960978459.db2.gz BXANAAWUNKAIGR-OEPRFQHASA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCN(C)CCNC(=O)c1cc(CC)c(CCC)s1 ZINC001567318834 961276538 /nfs/dbraw/zinc/27/65/38/961276538.db2.gz PMZYPLRBELPXLK-UHFFFAOYSA-N 0 3 294.464 3.111 20 30 CGEDHN C=CCN(CCNC(=O)c1ccc(C)c(Cl)c1)C1CC1 ZINC001567449421 961357387 /nfs/dbraw/zinc/35/73/87/961357387.db2.gz XHGMRYOLNBNSKX-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)C ZINC001567860493 961444774 /nfs/dbraw/zinc/44/47/74/961444774.db2.gz MXDJWMLIESJZTJ-PMPSAXMXSA-N 0 3 290.451 3.229 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001568381181 961567475 /nfs/dbraw/zinc/56/74/75/961567475.db2.gz YGVIGNHSGFLKSU-HNNXBMFYSA-N 0 3 296.842 3.210 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001568489126 961600288 /nfs/dbraw/zinc/60/02/88/961600288.db2.gz ONKSFOBIOFOGOF-HOTGVXAUSA-N 0 3 292.467 3.191 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)(CC)CC ZINC001569268291 961728238 /nfs/dbraw/zinc/72/82/38/961728238.db2.gz YODBBZPVGHXYLJ-UHFFFAOYSA-N 0 3 274.836 3.003 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCN1CC/C=C/c1ccccc1 ZINC001569350697 961737878 /nfs/dbraw/zinc/73/78/78/961737878.db2.gz OPCJDIJITDIDFS-JGZYNSJSSA-N 0 3 298.430 3.247 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H]2CNCCF)CCCCC1 ZINC001569567134 961795626 /nfs/dbraw/zinc/79/56/26/961795626.db2.gz SRSJBXKVBZQYAQ-HNNXBMFYSA-N 0 3 296.430 3.063 20 30 CGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001569651606 961805138 /nfs/dbraw/zinc/80/51/38/961805138.db2.gz SWKSPVMVHXYMOI-YJBOKZPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@@H]1C ZINC001570449692 961971618 /nfs/dbraw/zinc/97/16/18/961971618.db2.gz TVRCDUWEQGVPCT-GJZGRUSLSA-N 0 3 292.467 3.051 20 30 CGEDHN C#CCN(C(=O)C[C@@H]1NCc2ccccc21)C1CCCCC1 ZINC001574583777 962307784 /nfs/dbraw/zinc/30/77/84/962307784.db2.gz NHNITBNAYMHJPA-SFHVURJKSA-N 0 3 296.414 3.016 20 30 CGEDHN COCC1(CN[C@@H](CCC#N)c2ccccc2)CCC1 ZINC000589742310 346810363 /nfs/dbraw/zinc/81/03/63/346810363.db2.gz BVNLNGDOUSPSRH-INIZCTEOSA-N 0 3 272.392 3.438 20 30 CGEDHN C=C(Cl)CNC1(Cc2ccc(F)cc2)CCOCC1 ZINC000298432579 260154147 /nfs/dbraw/zinc/15/41/47/260154147.db2.gz QDPQPPXIOCUUSR-UHFFFAOYSA-N 0 3 283.774 3.260 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H]1OC(F)F)c1cccc(C#N)c1 ZINC000337550368 214151546 /nfs/dbraw/zinc/15/15/46/214151546.db2.gz NXYXNWTWZILONC-LEWSCRJBSA-N 0 3 280.318 3.369 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC(C2CC2)CC1 ZINC000590006512 346821562 /nfs/dbraw/zinc/82/15/62/346821562.db2.gz ISIGUFHRYUYVAV-UHFFFAOYSA-N 0 3 270.376 3.189 20 30 CGEDHN N#CCC[C@H](NCCC1CCOCC1)c1ccccc1 ZINC000590114911 346828691 /nfs/dbraw/zinc/82/86/91/346828691.db2.gz JRTLOYGMGPVOSB-KRWDZBQOSA-N 0 3 272.392 3.438 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCCO[C@H](c3ccccc3)C2)C1 ZINC000590159151 346833395 /nfs/dbraw/zinc/83/33/95/346833395.db2.gz WYYMBYGYBSAWES-PVAVHDDUSA-N 0 3 270.376 3.142 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](CC2CC2)C1 ZINC000590202716 346836695 /nfs/dbraw/zinc/83/66/95/346836695.db2.gz MJIHNCVSHPNJPM-BBRMVZONSA-N 0 3 297.402 3.007 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cn3cc(C)ccc3n2)C1 ZINC000651704970 398272111 /nfs/dbraw/zinc/27/21/11/398272111.db2.gz BBARGBUQGABTNV-LSDHHAIUSA-N 0 3 269.392 3.477 20 30 CGEDHN COc1nc(C)cc(C)c1CNC1CCC(C)(C#N)CC1 ZINC000590644565 346857444 /nfs/dbraw/zinc/85/74/44/346857444.db2.gz HDKLLZFEURSICF-UHFFFAOYSA-N 0 3 287.407 3.269 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651747779 398280735 /nfs/dbraw/zinc/28/07/35/398280735.db2.gz PSIIYEXUWOJWMM-ZWNOBZJWSA-N 0 3 283.774 3.241 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nc3cc(OC)ccc3n2C)C1 ZINC000651764813 398284827 /nfs/dbraw/zinc/28/48/27/398284827.db2.gz POHISGXMKZXBGF-KGLIPLIRSA-N 0 3 299.418 3.416 20 30 CGEDHN CCN(C(=O)C(C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000337975224 214339554 /nfs/dbraw/zinc/33/95/54/214339554.db2.gz KMGBRSQRUBAYDG-VIFPVBQESA-N 0 3 270.254 3.110 20 30 CGEDHN C[C@H](c1ccccc1)[C@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000590712587 346867136 /nfs/dbraw/zinc/86/71/36/346867136.db2.gz PHGVPXCZZXDVKV-ZRGWGRIASA-N 0 3 294.398 3.373 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](C)COCC2CC2)c1 ZINC000651981652 398315580 /nfs/dbraw/zinc/31/55/80/398315580.db2.gz WDENNHKKVQXDRA-AWEZNQCLSA-N 0 3 275.392 3.156 20 30 CGEDHN CO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000590761956 346872508 /nfs/dbraw/zinc/87/25/08/346872508.db2.gz HCYODAIYBPYDMN-IAGOWNOFSA-N 0 3 284.403 3.256 20 30 CGEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000590756880 346872781 /nfs/dbraw/zinc/87/27/81/346872781.db2.gz DLFHQFCWEWWNBX-WMLDXEAASA-N 0 3 272.392 3.114 20 30 CGEDHN N#Cc1cnccc1CN1CCC[C@@H]1C1CCCC1 ZINC000592064837 346959350 /nfs/dbraw/zinc/95/93/50/346959350.db2.gz VPNFSDRQWKWDIY-MRXNPFEDSA-N 0 3 255.365 3.108 20 30 CGEDHN CN(CCCC#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347466933 529879116 /nfs/dbraw/zinc/87/91/16/529879116.db2.gz DTKXIYRCKNBCDC-CVEARBPZSA-N 0 3 272.392 3.468 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000593029211 347029524 /nfs/dbraw/zinc/02/95/24/347029524.db2.gz QQBGIEASDLDQCN-CQSZACIVSA-N 0 3 285.347 3.088 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC3(CC2)C(F)(F)C3(F)F)C1 ZINC000593055704 347033898 /nfs/dbraw/zinc/03/38/98/347033898.db2.gz ZXFDZPGMIONCRX-NXEZZACHSA-N 0 3 276.277 3.045 20 30 CGEDHN CN(CCN1CCCCC1)Cc1ccc(C#N)cc1Cl ZINC000593113395 347040793 /nfs/dbraw/zinc/04/07/93/347040793.db2.gz ZUKDDTOAWXZXCU-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN Cc1c(C#N)c(NCC2=CCN(C)CC2)nc2ccccc12 ZINC000295091049 199340859 /nfs/dbraw/zinc/34/08/59/199340859.db2.gz SFPIFVMIWSKWJN-UHFFFAOYSA-N 0 3 292.386 3.089 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](CC(C)C)N(C)C)c1 ZINC000273240041 192084615 /nfs/dbraw/zinc/08/46/15/192084615.db2.gz TYXMXTINMUUWCL-MRXNPFEDSA-N 0 3 287.407 3.149 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)c2cccc(CC#N)c2)c1 ZINC000049696149 345074908 /nfs/dbraw/zinc/07/49/08/345074908.db2.gz ZJVBGKAJSYPJAN-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN CC(C)[C@H]1CCCN(Cc2ccnc(C#N)c2)CC1 ZINC000079342212 345637722 /nfs/dbraw/zinc/63/77/22/345637722.db2.gz DHMJMSSKOLEFQY-HNNXBMFYSA-N 0 3 257.381 3.211 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(O)c1 ZINC000080923993 345689186 /nfs/dbraw/zinc/68/91/86/345689186.db2.gz WFDUOLUSGUYNGF-ZDUSSCGKSA-N 0 3 266.344 3.457 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(Cc2csc(C)n2)CC1 ZINC000091530888 345817836 /nfs/dbraw/zinc/81/78/36/345817836.db2.gz CTOBTRLAVGOKLB-CQSZACIVSA-N 0 3 293.480 3.314 20 30 CGEDHN C=C(C)CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093318748 345874710 /nfs/dbraw/zinc/87/47/10/345874710.db2.gz UMNBMCVOGNOVIZ-LBPRGKRZSA-N 0 3 286.297 3.130 20 30 CGEDHN C=CC1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000111693181 345951250 /nfs/dbraw/zinc/95/12/50/345951250.db2.gz GYZSVRMKKOKSFA-AWEZNQCLSA-N 0 3 278.440 3.064 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H]3CCCC[C@@H]32)ccc1F ZINC000119412120 345993153 /nfs/dbraw/zinc/99/31/53/345993153.db2.gz HAIDVJDDJRUMIB-BBRMVZONSA-N 0 3 258.340 3.462 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)CNCc1cc(C#N)cs1 ZINC000128587628 346042672 /nfs/dbraw/zinc/04/26/72/346042672.db2.gz ZTHSMUUDSROYAV-VIFPVBQESA-N 0 3 275.377 3.118 20 30 CGEDHN C=CCN1CCC(Nc2ccc3cc(OC)ccc3n2)CC1 ZINC000172757701 346230005 /nfs/dbraw/zinc/23/00/05/346230005.db2.gz CYKMOGUWVNZVDA-UHFFFAOYSA-N 0 3 297.402 3.306 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2ccc(F)cc21 ZINC000344307647 346507012 /nfs/dbraw/zinc/50/70/12/346507012.db2.gz XMPVZRJIVHHMAU-MRXNPFEDSA-N 0 3 263.356 3.385 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000321510869 346489609 /nfs/dbraw/zinc/48/96/09/346489609.db2.gz WAEHLSQPEJBRJH-KOLCDFICSA-N 0 3 257.736 3.067 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](OC(C)C)C1 ZINC000404728957 346600962 /nfs/dbraw/zinc/60/09/62/346600962.db2.gz YQFSOEIHXIREEO-QGZVFWFLSA-N 0 3 272.392 3.256 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000405153527 346602516 /nfs/dbraw/zinc/60/25/16/346602516.db2.gz QIHWLOZNYHZVDC-WMZOPIPTSA-N 0 3 297.446 3.180 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@]1(C)CCCO1 ZINC000585726533 346727816 /nfs/dbraw/zinc/72/78/16/346727816.db2.gz QGTRJKSUQWWXHF-ABAIWWIYSA-N 0 3 278.783 3.259 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000586790785 346736042 /nfs/dbraw/zinc/73/60/42/346736042.db2.gz GPBOUALNICZHPX-JTQLQIEISA-N 0 3 278.377 3.103 20 30 CGEDHN CC(C)OC(=O)C[C@H](NCc1ccc(C#N)cc1)C(C)C ZINC000594042017 347143068 /nfs/dbraw/zinc/14/30/68/347143068.db2.gz BUNJDTUOBWSMFH-INIZCTEOSA-N 0 3 288.391 3.014 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1OC)[C@H]1CCCCO1 ZINC000594045510 347144012 /nfs/dbraw/zinc/14/40/12/347144012.db2.gz YXGJUAPCIQCMEL-HZPDHXFCSA-N 0 3 288.391 3.004 20 30 CGEDHN N#CCCCCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000593963941 347124609 /nfs/dbraw/zinc/12/46/09/347124609.db2.gz ATMFCJBJHXNOCC-MRXNPFEDSA-N 0 3 297.402 3.082 20 30 CGEDHN CC(C)c1ccc([C@H](N)CNC(=O)CCCCC#N)cc1 ZINC000594424400 347173996 /nfs/dbraw/zinc/17/39/96/347173996.db2.gz CXUMSDKWXBRPEG-MRXNPFEDSA-N 0 3 287.407 3.010 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)N(CC1CCC1)c1ccccc1 ZINC000594433101 347174460 /nfs/dbraw/zinc/17/44/60/347174460.db2.gz LPCQFURLDZOLTF-QGZVFWFLSA-N 0 3 299.418 3.231 20 30 CGEDHN CCSc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594446141 347174872 /nfs/dbraw/zinc/17/48/72/347174872.db2.gz QPXHOHQXPAZMKC-CQSZACIVSA-N 0 3 291.420 3.148 20 30 CGEDHN CC1(C)CC(NC(=O)[C@@H](N)CCCCC#N)CC(C)(C)C1 ZINC000594437958 347174919 /nfs/dbraw/zinc/17/49/19/347174919.db2.gz QORBFQMYOWKPBA-AWEZNQCLSA-N 0 3 293.455 3.119 20 30 CGEDHN N#Cc1ccc(C2(N[C@H]3CC[C@H](C#N)C3)CCC2)cc1 ZINC000594519231 347188074 /nfs/dbraw/zinc/18/80/74/347188074.db2.gz VTSWYYAGHPJDKV-HOCLYGCPSA-N 0 3 265.360 3.219 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(F)c1 ZINC000594994018 347251436 /nfs/dbraw/zinc/25/14/36/347251436.db2.gz DCTXGFGTTHWXKV-BPQIPLTHSA-N 0 3 296.320 3.264 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1cccc(C#N)c1 ZINC000594723456 347213285 /nfs/dbraw/zinc/21/32/85/347213285.db2.gz BINIVKCBZVTFFS-IOASZLSFSA-N 0 3 258.365 3.166 20 30 CGEDHN CC1(C)SC[C@@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594939742 347235969 /nfs/dbraw/zinc/23/59/69/347235969.db2.gz DPQJJWCNMISCDY-AWEZNQCLSA-N 0 3 272.417 3.225 20 30 CGEDHN C=CCCSCCNCc1cc(F)ccc1F ZINC000594960583 347241428 /nfs/dbraw/zinc/24/14/28/347241428.db2.gz UTKVEBHRDWDVJI-UHFFFAOYSA-N 0 3 257.349 3.364 20 30 CGEDHN CC(C)(C)CCN1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595293414 347287420 /nfs/dbraw/zinc/28/74/20/347287420.db2.gz MYQWNJRGTTUDED-UHFFFAOYSA-N 0 3 299.462 3.155 20 30 CGEDHN C=CC(C)(C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595040549 347266560 /nfs/dbraw/zinc/26/65/60/347266560.db2.gz GPULYRFHWZWDHY-NSHDSACASA-N 0 3 278.352 3.466 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCn2nccc21 ZINC000595043555 347267177 /nfs/dbraw/zinc/26/71/77/347267177.db2.gz HWVIZCVFSMUAOY-IAGOWNOFSA-N 0 3 292.386 3.257 20 30 CGEDHN C=CCCSCCN[C@H]1CCCc2cccnc21 ZINC000595057718 347272921 /nfs/dbraw/zinc/27/29/21/347272921.db2.gz CXVTVESWIHZZIZ-AWEZNQCLSA-N 0 3 262.422 3.358 20 30 CGEDHN Cc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)o1 ZINC000595058983 347273268 /nfs/dbraw/zinc/27/32/68/347273268.db2.gz DUTAQKYQHCENGY-CYBMUJFWSA-N 0 3 254.333 3.353 20 30 CGEDHN C=CCCSCCN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000595060561 347273838 /nfs/dbraw/zinc/27/38/38/347273838.db2.gz VOSCXAJICXYMIN-BFUOFWGJSA-N 0 3 297.489 3.384 20 30 CGEDHN CO[C@H]1C[C@H]2C[C@@H](NCC3(C#N)CCCCC3)C[C@H]2C1 ZINC000595090575 347280270 /nfs/dbraw/zinc/28/02/70/347280270.db2.gz IGCGBCMQRPRYGU-GEEKYZPCSA-N 0 3 276.424 3.254 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C1CCCC1 ZINC000595093361 347282122 /nfs/dbraw/zinc/28/21/22/347282122.db2.gz AGOXYODETUQZQJ-GUYCJALGSA-N 0 3 272.392 3.414 20 30 CGEDHN CC(C)[C@H](O)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000595097131 347283102 /nfs/dbraw/zinc/28/31/02/347283102.db2.gz PUVCSVMFCZVUCJ-DDBAPUKQSA-N 0 3 286.419 3.417 20 30 CGEDHN COc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1C ZINC000595101013 347284279 /nfs/dbraw/zinc/28/42/79/347284279.db2.gz AFBTVCSEXGHZGF-UKRRQHHQSA-N 0 3 258.365 3.176 20 30 CGEDHN CC[C@@H](C)N(CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000595593671 347322894 /nfs/dbraw/zinc/32/28/94/347322894.db2.gz SKUBHPGBYBZEHK-LLVKDONJSA-N 0 3 293.798 3.271 20 30 CGEDHN CC(C)(NC[C@@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000595638349 347331164 /nfs/dbraw/zinc/33/11/64/347331164.db2.gz AXNZBLGOJQPCTB-HNNXBMFYSA-N 0 3 272.392 3.341 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000595657762 347334343 /nfs/dbraw/zinc/33/43/43/347334343.db2.gz BWOITDQPUSNUSA-CYBMUJFWSA-N 0 3 258.340 3.485 20 30 CGEDHN N#CCCCN[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595672296 347336223 /nfs/dbraw/zinc/33/62/23/347336223.db2.gz YPBXUJNEAKYIPK-INIZCTEOSA-N 0 3 292.810 3.325 20 30 CGEDHN C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@H]1CCO ZINC000595703527 347343533 /nfs/dbraw/zinc/34/35/33/347343533.db2.gz TWLUUKBZYHNNSA-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@H](CCF)C2)cc1 ZINC000595756360 347352036 /nfs/dbraw/zinc/35/20/36/347352036.db2.gz UJMRRIHNZASFFG-OAHLLOKOSA-N 0 3 276.355 3.009 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595788031 347355776 /nfs/dbraw/zinc/35/57/76/347355776.db2.gz MFLLKVWAXPMAFC-ZWKOTPCHSA-N 0 3 284.403 3.339 20 30 CGEDHN CC[C@@H](NCCc1ccc(C#N)cc1)c1c(C)noc1C ZINC000595430727 347303150 /nfs/dbraw/zinc/30/31/50/347303150.db2.gz KTJROOCIFXEKRL-MRXNPFEDSA-N 0 3 283.375 3.447 20 30 CGEDHN CCc1ccc([C@H](COC)NCCc2ccc(C#N)cc2)o1 ZINC000595433587 347303204 /nfs/dbraw/zinc/30/32/04/347303204.db2.gz YAIUPJLOKUSFSM-KRWDZBQOSA-N 0 3 298.386 3.233 20 30 CGEDHN C[C@H]1COC2(CCCC2)CN1Cc1ccc(CC#N)cc1 ZINC000595806771 347357501 /nfs/dbraw/zinc/35/75/01/347357501.db2.gz GDMLMBBOYKTGAK-HNNXBMFYSA-N 0 3 284.403 3.286 20 30 CGEDHN N#CCCCN1CCC2(CCc3ccccc3O2)CC1 ZINC000595829268 347362034 /nfs/dbraw/zinc/36/20/34/347362034.db2.gz SMVWDONEKBGCPT-UHFFFAOYSA-N 0 3 270.376 3.150 20 30 CGEDHN N#Cc1ccc(CN(CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000595871841 347368936 /nfs/dbraw/zinc/36/89/36/347368936.db2.gz RQPKBVCTHCKAGI-UHFFFAOYSA-N 0 3 299.374 3.479 20 30 CGEDHN C=CCCCN1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595921715 347372662 /nfs/dbraw/zinc/37/26/62/347372662.db2.gz WLGKCJMNWQWWCG-GFCCVEGCSA-N 0 3 294.420 3.075 20 30 CGEDHN Cc1cc(OCc2cccc3c2CCNC3)ccc1C#N ZINC000596071851 347379363 /nfs/dbraw/zinc/37/93/63/347379363.db2.gz TUWRRHZAOXONPU-UHFFFAOYSA-N 0 3 278.355 3.091 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000597175106 347544140 /nfs/dbraw/zinc/54/41/40/347544140.db2.gz WQLXCAWCIIZVFZ-CYBMUJFWSA-N 0 3 253.349 3.294 20 30 CGEDHN CCO[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596983746 347524617 /nfs/dbraw/zinc/52/46/17/347524617.db2.gz ISCUTHDQDLRGNT-QGZVFWFLSA-N 0 3 284.403 3.243 20 30 CGEDHN CO[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1C ZINC000597110711 347535554 /nfs/dbraw/zinc/53/55/54/347535554.db2.gz KIYUHUVBXLOLDD-RHSMWYFYSA-N 0 3 284.403 3.099 20 30 CGEDHN CCOC1CC(N(C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597129795 347538357 /nfs/dbraw/zinc/53/83/57/347538357.db2.gz FRPSZVOZBVQHGS-UHFFFAOYSA-N 0 3 284.403 3.241 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CO[C@H](C2CC2)C1 ZINC000597156403 347541492 /nfs/dbraw/zinc/54/14/92/347541492.db2.gz ZNSARDIAYCFNPO-NJAFHUGGSA-N 0 3 282.387 3.093 20 30 CGEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)C(F)(F)F ZINC000597758192 347591034 /nfs/dbraw/zinc/59/10/34/347591034.db2.gz RWGOJXGAWVHXFU-LBPRGKRZSA-N 0 3 298.308 3.216 20 30 CGEDHN CC(C)[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598381583 347651840 /nfs/dbraw/zinc/65/18/40/347651840.db2.gz OWVUDBDCSGOKOM-SJORKVTESA-N 0 3 284.403 3.310 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCCc1ccco1 ZINC000598439472 347658628 /nfs/dbraw/zinc/65/86/28/347658628.db2.gz LUIZFESWWBMRRF-INIZCTEOSA-N 0 3 296.370 3.101 20 30 CGEDHN COc1ccc(F)c(CNC2CCC(C)(C#N)CC2)c1 ZINC000598648256 347674844 /nfs/dbraw/zinc/67/48/44/347674844.db2.gz PGAQJTJUVWNSOD-UHFFFAOYSA-N 0 3 276.355 3.396 20 30 CGEDHN COc1ccc(F)c(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000598676498 347678198 /nfs/dbraw/zinc/67/81/98/347678198.db2.gz JAYPNCUYONDILM-YPMHNXCESA-N 0 3 262.328 3.006 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000598598554 347669284 /nfs/dbraw/zinc/66/92/84/347669284.db2.gz BATPPZIBFZANEJ-RISCZKNCSA-N 0 3 280.799 3.291 20 30 CGEDHN COc1ccc([C@H]2CCN([C@@H](C)CCC#N)C2)cc1F ZINC000599680151 347765088 /nfs/dbraw/zinc/76/50/88/347765088.db2.gz RXOARYVCYQVHDQ-JSGCOSHPSA-N 0 3 276.355 3.316 20 30 CGEDHN COc1ccc([C@@H]2CCN(CCCCC#N)C2)cc1F ZINC000599678012 347765349 /nfs/dbraw/zinc/76/53/49/347765349.db2.gz HLVIADUQVOUWAH-CQSZACIVSA-N 0 3 276.355 3.317 20 30 CGEDHN C=CCN(CCCCC(=O)OC)Cc1cccs1 ZINC000599251699 347729098 /nfs/dbraw/zinc/72/90/98/347729098.db2.gz JSQFTODVFHWCLW-UHFFFAOYSA-N 0 3 267.394 3.079 20 30 CGEDHN Cc1ccc(CN(C)CCOC(C)(C)C)cc1C#N ZINC000599317600 347735512 /nfs/dbraw/zinc/73/55/12/347735512.db2.gz CYLZDJHUQHKEKJ-UHFFFAOYSA-N 0 3 260.381 3.114 20 30 CGEDHN Cc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1C#N ZINC000599436373 347745658 /nfs/dbraw/zinc/74/56/58/347745658.db2.gz JOMUTICMDNTEKZ-OALUTQOASA-N 0 3 292.382 3.175 20 30 CGEDHN CCO[C@H](CNC(C)(C)c1cccc(C#N)c1)C1CC1 ZINC000599462035 347746881 /nfs/dbraw/zinc/74/68/81/347746881.db2.gz LPJYQNJFCPUVDC-MRXNPFEDSA-N 0 3 272.392 3.198 20 30 CGEDHN Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)cc1C#N ZINC000599553451 347754382 /nfs/dbraw/zinc/75/43/82/347754382.db2.gz VDXUOWWRPOYCFJ-CVEARBPZSA-N 0 3 272.417 3.337 20 30 CGEDHN N#Cc1ccc(CCN2CCCc3cccc(CN)c32)cc1 ZINC000600720971 347830083 /nfs/dbraw/zinc/83/00/83/347830083.db2.gz JMWCDOUGQWLFAS-UHFFFAOYSA-N 0 3 291.398 3.012 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CCC2)[C@@H]2CCCO2)cc1F ZINC000601156346 347876246 /nfs/dbraw/zinc/87/62/46/347876246.db2.gz PPLQFILIBHTDQQ-DLBZAZTESA-N 0 3 288.366 3.135 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000601286966 347888959 /nfs/dbraw/zinc/88/89/59/347888959.db2.gz COAJULIBISKSJD-GMXABZIVSA-N 0 3 296.773 3.184 20 30 CGEDHN N#Cc1c(F)cccc1CNCCC1CC(F)(F)C1 ZINC000602022172 347934155 /nfs/dbraw/zinc/93/41/55/347934155.db2.gz YCIHWHGFANURCE-UHFFFAOYSA-N 0 3 268.282 3.222 20 30 CGEDHN C[C@@]1(CCNCc2cccc(F)c2C#N)CC1(F)F ZINC000602029380 347934675 /nfs/dbraw/zinc/93/46/75/347934675.db2.gz VMUGFRDBPCJTRF-CYBMUJFWSA-N 0 3 268.282 3.222 20 30 CGEDHN CCN(Cc1ccc(=O)[nH]c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444797 347959390 /nfs/dbraw/zinc/95/93/90/347959390.db2.gz QEDMOFFAGVMNNA-ZDUSSCGKSA-N 0 3 281.359 3.242 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](Cc3ccccc3)C2)n1 ZINC000602441977 347959449 /nfs/dbraw/zinc/95/94/49/347959449.db2.gz HKUDEUFYKJILDD-MRXNPFEDSA-N 0 3 277.371 3.018 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccccc2)C[C@H]1C ZINC000602468775 347963738 /nfs/dbraw/zinc/96/37/38/347963738.db2.gz RRNKVHXSPFZWBF-DLBZAZTESA-N 0 3 285.435 3.133 20 30 CGEDHN COc1ccc(CC[C@@H](C)NCc2cccc(C#N)n2)cc1 ZINC000602526561 347976112 /nfs/dbraw/zinc/97/61/12/347976112.db2.gz XNSLJTAPAYNRPX-CQSZACIVSA-N 0 3 295.386 3.073 20 30 CGEDHN C[C@@H](CCC#N)CNC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000602574143 347985813 /nfs/dbraw/zinc/98/58/13/347985813.db2.gz RQYAWMJELDGPID-AWEZNQCLSA-N 0 3 297.406 3.032 20 30 CGEDHN C[C@H](CCC#N)CN1CCO[C@H](C2CCCCC2)C1 ZINC000602613808 347994778 /nfs/dbraw/zinc/99/47/78/347994778.db2.gz QDASERNQJOYSQW-ZBFHGGJFSA-N 0 3 264.413 3.207 20 30 CGEDHN C[C@H](CCC#N)CNCc1c(F)cccc1N1CCCC1 ZINC000602651527 348001097 /nfs/dbraw/zinc/00/10/97/348001097.db2.gz SGQODPIUGCTXSD-CQSZACIVSA-N 0 3 289.398 3.455 20 30 CGEDHN CC[C@](C)(CNCc1ccc(C#N)c(Cl)c1)OC ZINC000602658546 348002917 /nfs/dbraw/zinc/00/29/17/348002917.db2.gz KTJPVAFBQOMBDG-CQSZACIVSA-N 0 3 266.772 3.116 20 30 CGEDHN CCC[C@H](CNCc1ccc(C#N)c(Cl)c1)OC ZINC000602659984 348003488 /nfs/dbraw/zinc/00/34/88/348003488.db2.gz ZPHCDFNJKBCNBM-CYBMUJFWSA-N 0 3 266.772 3.116 20 30 CGEDHN CC(C)(C)C[C@@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602687445 348009733 /nfs/dbraw/zinc/00/97/33/348009733.db2.gz WIYVCTSBVSOGJQ-ZDUSSCGKSA-N 0 3 257.381 3.211 20 30 CGEDHN N#Cc1cccc(CN2CCCC[C@@H]2C2CCC2)n1 ZINC000602703635 348012598 /nfs/dbraw/zinc/01/25/98/348012598.db2.gz RQDQVKFPYGZOJZ-MRXNPFEDSA-N 0 3 255.365 3.108 20 30 CGEDHN COc1ccc(-c2cc(CNC[C@H](C)CCC#N)on2)cc1 ZINC000602709748 348015175 /nfs/dbraw/zinc/01/51/75/348015175.db2.gz QAGQETKXXLCCRS-CYBMUJFWSA-N 0 3 299.374 3.380 20 30 CGEDHN N#CCC1(CN(Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000602764215 348025712 /nfs/dbraw/zinc/02/57/12/348025712.db2.gz NKWDGXPLZSPXJJ-KRWDZBQOSA-N 0 3 284.403 3.361 20 30 CGEDHN N#CCC1(CN2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000602775082 348026535 /nfs/dbraw/zinc/02/65/35/348026535.db2.gz FZFCYMZKFZQKBT-CYBMUJFWSA-N 0 3 258.340 3.309 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)n2)C1(CC)CC ZINC000602562263 347982953 /nfs/dbraw/zinc/98/29/53/347982953.db2.gz JAFWTKIXJBJQDZ-JKSUJKDBSA-N 0 3 287.407 3.027 20 30 CGEDHN C[C@H]1CN(CCC2CCCCCC2)C[C@H](C)N1CC#N ZINC000602849198 348036407 /nfs/dbraw/zinc/03/64/07/348036407.db2.gz JSFQDFNTPLDCQQ-HOTGVXAUSA-N 0 3 277.456 3.265 20 30 CGEDHN N#CCC1(CN2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000602844551 348036514 /nfs/dbraw/zinc/03/65/14/348036514.db2.gz CYMCADOTAQFQMX-LLVKDONJSA-N 0 3 260.303 3.345 20 30 CGEDHN C[C@@H]1CN(CC2(CC#N)CC2)CCc2ccc(F)cc21 ZINC000602865944 348038078 /nfs/dbraw/zinc/03/80/78/348038078.db2.gz BSPDUVIRKZFJND-CYBMUJFWSA-N 0 3 272.367 3.481 20 30 CGEDHN C[C@]1(c2cccc(F)c2)CCN(CC2(CC#N)CC2)C1 ZINC000602868032 348038177 /nfs/dbraw/zinc/03/81/77/348038177.db2.gz VCMLSUCHNIATBD-INIZCTEOSA-N 0 3 272.367 3.483 20 30 CGEDHN Cc1cc(C)c(CN2CCC[C@H](CC#N)C2)c(C)n1 ZINC000602884585 348040736 /nfs/dbraw/zinc/04/07/36/348040736.db2.gz OOISBDMBSPSXBN-OAHLLOKOSA-N 0 3 257.381 3.133 20 30 CGEDHN C[C@H](c1ccncc1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909261 348042689 /nfs/dbraw/zinc/04/26/89/348042689.db2.gz LBJSWPXDKUMVJP-CQSZACIVSA-N 0 3 292.386 3.289 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(CCF)CC1 ZINC000602948323 348046837 /nfs/dbraw/zinc/04/68/37/348046837.db2.gz QHWZEZMOIBMTBY-UHFFFAOYSA-N 0 3 260.356 3.438 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C3CCC3)CC2)nc1 ZINC000603000056 348054055 /nfs/dbraw/zinc/05/40/55/348054055.db2.gz SUTTVAYROOJSCI-INIZCTEOSA-N 0 3 269.392 3.355 20 30 CGEDHN COCc1cc(C#N)ccc1NC[C@H]1CCN1C1CCCC1 ZINC000603416639 348081556 /nfs/dbraw/zinc/08/15/56/348081556.db2.gz VOFVONNDLZENLR-QGZVFWFLSA-N 0 3 299.418 3.133 20 30 CGEDHN C=CCCCN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000605150833 348148658 /nfs/dbraw/zinc/14/86/58/348148658.db2.gz LOTCTIGVIBXIML-OAHLLOKOSA-N 0 3 292.810 3.343 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000609920507 348357814 /nfs/dbraw/zinc/35/78/14/348357814.db2.gz NMQFLINPYRERQZ-IINYFYTJSA-N 0 3 288.347 3.252 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000609921133 348358591 /nfs/dbraw/zinc/35/85/91/348358591.db2.gz MTMUZTNDNQETAX-CYBMUJFWSA-N 0 3 288.366 3.303 20 30 CGEDHN CN(Cc1ccnc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000610992012 348414978 /nfs/dbraw/zinc/41/49/78/348414978.db2.gz ZIYOEKPZCMUEMV-QGZVFWFLSA-N 0 3 263.344 3.073 20 30 CGEDHN Cc1ccccc1C[C@@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610993522 348416551 /nfs/dbraw/zinc/41/65/51/348416551.db2.gz WKGYLDCBIYYJBP-IBGZPJMESA-N 0 3 291.398 3.469 20 30 CGEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc2ccccc2o1 ZINC000610813400 348404420 /nfs/dbraw/zinc/40/44/20/348404420.db2.gz FWAVRIKNRFQTOO-ZDUSSCGKSA-N 0 3 283.375 3.071 20 30 CGEDHN C=CCN(Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000273372811 192130225 /nfs/dbraw/zinc/13/02/25/192130225.db2.gz FMCBKKVUPSDBNF-UHFFFAOYSA-N 0 3 254.333 3.091 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)F)C1 ZINC000611180513 348427031 /nfs/dbraw/zinc/42/70/31/348427031.db2.gz YVTBJGGKLHQXQJ-GWCFXTLKSA-N 0 3 250.292 3.206 20 30 CGEDHN COc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000611390443 348444519 /nfs/dbraw/zinc/44/45/19/348444519.db2.gz AUOXPFXVSZJPJS-QGZVFWFLSA-N 0 3 293.370 3.129 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCNc1ccccn1 ZINC000611393676 348445781 /nfs/dbraw/zinc/44/57/81/348445781.db2.gz ZUBUAVRLXAVXCS-QGZVFWFLSA-N 0 3 292.386 3.032 20 30 CGEDHN CC(C)(C#N)CCN1CCC(c2cccnc2)CC1 ZINC000611462878 348453585 /nfs/dbraw/zinc/45/35/85/348453585.db2.gz DYRBJAJLMZGHRS-UHFFFAOYSA-N 0 3 257.381 3.201 20 30 CGEDHN N#CC1(CN[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000611938544 348481736 /nfs/dbraw/zinc/48/17/36/348481736.db2.gz NIKCQGYFNBXIKE-QGZVFWFLSA-N 0 3 283.419 3.107 20 30 CGEDHN CCN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCCO1 ZINC000614162880 348653351 /nfs/dbraw/zinc/65/33/51/348653351.db2.gz AGFZRIRBOKODAS-KRWDZBQOSA-N 0 3 286.419 3.489 20 30 CGEDHN CN(CCOCC1CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171200 348654138 /nfs/dbraw/zinc/65/41/38/348654138.db2.gz FQMANQDGGMWHEB-UHFFFAOYSA-N 0 3 286.419 3.346 20 30 CGEDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614179695 348656037 /nfs/dbraw/zinc/65/60/37/348656037.db2.gz XLDFKGQJRQDNQJ-ZDUSSCGKSA-N 0 3 296.418 3.381 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@H](CCO)c1ccccc1 ZINC000614406892 348674867 /nfs/dbraw/zinc/67/48/67/348674867.db2.gz FKHKTVSMZBHCCN-GOSISDBHSA-N 0 3 280.371 3.080 20 30 CGEDHN C[C@@H](NCC[C@@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000358438337 233133417 /nfs/dbraw/zinc/13/34/17/233133417.db2.gz WIORCXQTRUSTTH-OCCSQVGLSA-N 0 3 276.355 3.307 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccnc(C#N)c2)C1(CC)CC ZINC000617541713 348965934 /nfs/dbraw/zinc/96/59/34/348965934.db2.gz PJYBQRFORWGRDN-HZPDHXFCSA-N 0 3 287.407 3.027 20 30 CGEDHN Cc1cc(CN2CCC([C@@H]3CCOC3)CC2)ccc1C#N ZINC000618606468 349120919 /nfs/dbraw/zinc/12/09/19/349120919.db2.gz JSRHXHUCGGTZNU-GOSISDBHSA-N 0 3 284.403 3.115 20 30 CGEDHN Cc1ccc(CCCNCc2ccc(C#N)cc2F)cn1 ZINC000619426374 349247626 /nfs/dbraw/zinc/24/76/26/349247626.db2.gz YXUFGLGMWHFWEE-UHFFFAOYSA-N 0 3 283.350 3.123 20 30 CGEDHN CO[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000619673040 349269148 /nfs/dbraw/zinc/26/91/48/349269148.db2.gz IGPNNJQSIZMWLV-YWPYICTPSA-N 0 3 278.783 3.309 20 30 CGEDHN C[C@]12CCCC[C@H]1CN2CC#Cc1ccc(F)cc1 ZINC000626104097 350261048 /nfs/dbraw/zinc/26/10/48/350261048.db2.gz FFVCRRIOHUMUJQ-RDJZCZTQSA-N 0 3 257.352 3.442 20 30 CGEDHN C[C@H](Nc1ccc(C#N)nc1)[C@@H](c1ccccc1)N(C)C ZINC000290964392 197872741 /nfs/dbraw/zinc/87/27/41/197872741.db2.gz OUZGUNXUZPYEMP-GUYCJALGSA-N 0 3 280.375 3.057 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000628545177 350573336 /nfs/dbraw/zinc/57/33/36/350573336.db2.gz BMSHPSLULIUZRJ-KRWDZBQOSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CCNCc1cc(OC)c(OC)cc1Cl ZINC000631147875 350969432 /nfs/dbraw/zinc/96/94/32/350969432.db2.gz AGFDJQMFJSGARS-UHFFFAOYSA-N 0 3 269.772 3.413 20 30 CGEDHN C=CCCC(C)(C)CNCCS(=O)(=O)c1ccccc1 ZINC000634725403 351577294 /nfs/dbraw/zinc/57/72/94/351577294.db2.gz RQSALZFDZBZRRN-UHFFFAOYSA-N 0 3 295.448 3.042 20 30 CGEDHN C=C(Cl)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271476482 191160033 /nfs/dbraw/zinc/16/00/33/191160033.db2.gz JSBBFYDHLLEBFH-CYBMUJFWSA-N 0 3 280.755 3.258 20 30 CGEDHN N#Cc1ccc(CNC[C@H](c2ccccc2)C2CC2)o1 ZINC000292345574 198253291 /nfs/dbraw/zinc/25/32/91/198253291.db2.gz ADLKINANZXZPEX-QGZVFWFLSA-N 0 3 266.344 3.435 20 30 CGEDHN CSC[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000292554569 198330678 /nfs/dbraw/zinc/33/06/78/198330678.db2.gz YWFKTTAOIXYQCM-HNNXBMFYSA-N 0 3 290.432 3.012 20 30 CGEDHN C=CCC[C@H](NCc1cncn1C)c1ccccc1 ZINC000158830101 188396754 /nfs/dbraw/zinc/39/67/54/188396754.db2.gz WTSAVGISOXJIDD-INIZCTEOSA-N 0 3 255.365 3.217 20 30 CGEDHN C=CCSCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173389143 188852804 /nfs/dbraw/zinc/85/28/04/188852804.db2.gz WGCODAKIXBQYIT-LLVKDONJSA-N 0 3 266.366 3.165 20 30 CGEDHN N#Cc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000246138731 283141666 /nfs/dbraw/zinc/14/16/66/283141666.db2.gz NKZWETIZZBGGKX-HZPDHXFCSA-N 0 3 272.417 3.418 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3ccccc3OC2)cc1F ZINC000374622925 283147480 /nfs/dbraw/zinc/14/74/80/283147480.db2.gz USRFNXBTTLRQRC-MRXNPFEDSA-N 0 3 296.345 3.181 20 30 CGEDHN C[C@@H]1CC[C@@H](C)N(CCOc2ccccc2C#N)C1 ZINC000088704531 138342904 /nfs/dbraw/zinc/34/29/04/138342904.db2.gz XBVVMQWAFTYMEB-ZIAGYGMSSA-N 0 3 258.365 3.057 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccn(C)c1 ZINC000425365494 236238477 /nfs/dbraw/zinc/23/84/77/236238477.db2.gz KZVRTZCCHYDULZ-CYBMUJFWSA-N 0 3 253.349 3.090 20 30 CGEDHN COC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCCC1 ZINC000297260685 200128538 /nfs/dbraw/zinc/12/85/38/200128538.db2.gz JYVBUNJZYGGYCT-LBPRGKRZSA-N 0 3 276.355 3.307 20 30 CGEDHN CCN(Cc1ccnc(N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000298255562 200373330 /nfs/dbraw/zinc/37/33/30/200373330.db2.gz USNJNVSCWDGPLU-CYBMUJFWSA-N 0 3 280.375 3.119 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C12CCCC2 ZINC000176979249 189017820 /nfs/dbraw/zinc/01/78/20/189017820.db2.gz MTYZOWRSNCTNLP-LSDHHAIUSA-N 0 3 290.432 3.447 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)s2)C12CCCC2 ZINC000176979262 189017880 /nfs/dbraw/zinc/01/78/80/189017880.db2.gz MTYZOWRSNCTNLP-GJZGRUSLSA-N 0 3 290.432 3.447 20 30 CGEDHN Cn1cc(CN2CCC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180140264 189239074 /nfs/dbraw/zinc/23/90/74/189239074.db2.gz NQVFVLIJWWGQAK-UHFFFAOYSA-N 0 3 294.402 3.191 20 30 CGEDHN CCC(CC)[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000181738141 189305654 /nfs/dbraw/zinc/30/56/54/189305654.db2.gz FOEGFQQZUABHFP-LRDDRELGSA-N 0 3 260.381 3.006 20 30 CGEDHN CC1(C)CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000119827765 370713034 /nfs/dbraw/zinc/71/30/34/370713034.db2.gz FUIVLIABWRASKN-LBPRGKRZSA-N 0 3 291.420 3.117 20 30 CGEDHN CCN(Cc1cccn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119880477 370719235 /nfs/dbraw/zinc/71/92/35/370719235.db2.gz BOEYQZQPMABBHQ-AWEZNQCLSA-N 0 3 267.376 3.480 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C1(C)C ZINC000120573922 370781713 /nfs/dbraw/zinc/78/17/13/370781713.db2.gz YKVXGTFHSSNLET-JKSUJKDBSA-N 0 3 272.392 3.194 20 30 CGEDHN CCc1cc(CCCNC2(c3cccc(C#N)c3)CC2)on1 ZINC000450674769 240029742 /nfs/dbraw/zinc/02/97/42/240029742.db2.gz SMXBJLUTIXCUIR-UHFFFAOYSA-N 0 3 295.386 3.320 20 30 CGEDHN C[C@@]12CN(Cc3ccc(F)c(C#N)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451366260 240285567 /nfs/dbraw/zinc/28/55/67/240285567.db2.gz IHZYLYCJLAGDLE-VKZRIFJHSA-N 0 3 282.362 3.341 20 30 CGEDHN N#Cc1cc(Cl)ccc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777644 242227422 /nfs/dbraw/zinc/22/74/22/242227422.db2.gz LGDGRRKVZMMPID-ONERCXAPSA-N 0 3 260.768 3.490 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)CCSCCCC)CC1 ZINC000121534927 370870632 /nfs/dbraw/zinc/87/06/32/370870632.db2.gz BGMMUEPRHVJVOH-UHFFFAOYSA-N 0 3 298.496 3.067 20 30 CGEDHN CCCC[C@@H](CCC)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000482653510 243235803 /nfs/dbraw/zinc/23/58/03/243235803.db2.gz CTUDMBNLAAIQFU-CVEARBPZSA-N 0 3 287.407 3.033 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1ccccc1CNC ZINC000122602090 370906618 /nfs/dbraw/zinc/90/66/18/370906618.db2.gz MTDMZRZMPAHYGP-UHFFFAOYSA-N 0 3 258.365 3.113 20 30 CGEDHN CC#CCCNCc1ccc(F)c(Br)c1 ZINC000125554275 370937962 /nfs/dbraw/zinc/93/79/62/370937962.db2.gz LECQLTCKWIDVAU-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN CC#CCCNCc1cc(F)cc(Br)c1 ZINC000125676994 370940542 /nfs/dbraw/zinc/94/05/42/370940542.db2.gz UMKHZAWUPMHSIP-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN CCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000019846802 368773072 /nfs/dbraw/zinc/77/30/72/368773072.db2.gz VLCSALRIGRMDOE-ZDUSSCGKSA-N 0 3 273.380 3.007 20 30 CGEDHN CCN(CC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000027285003 368870469 /nfs/dbraw/zinc/87/04/69/368870469.db2.gz CLOJHOIBEYHMRA-UHFFFAOYSA-N 0 3 291.420 3.213 20 30 CGEDHN CN(CCOc1ccc(C#N)cc1)Cc1cccs1 ZINC000035122339 368999511 /nfs/dbraw/zinc/99/95/11/368999511.db2.gz ZQIPJYRUGRZMCM-UHFFFAOYSA-N 0 3 272.373 3.131 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CCC ZINC000037800154 369115612 /nfs/dbraw/zinc/11/56/12/369115612.db2.gz XHWJJWJCNNTJNB-NSHDSACASA-N 0 3 286.828 3.044 20 30 CGEDHN CCOCc1ccccc1CNCc1ccc(C#N)cc1 ZINC000037762197 369105220 /nfs/dbraw/zinc/10/52/20/369105220.db2.gz JTKRTKUFBRBLOA-UHFFFAOYSA-N 0 3 280.371 3.385 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)CCCC#N)C12CCCCC2 ZINC000127434857 370952391 /nfs/dbraw/zinc/95/23/91/370952391.db2.gz WSYLFLKQNRFPTE-GJZGRUSLSA-N 0 3 264.413 3.350 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000074334743 369874834 /nfs/dbraw/zinc/87/48/34/369874834.db2.gz RHBJEHHMIAGVHO-CYBMUJFWSA-N 0 3 294.354 3.180 20 30 CGEDHN N#CCCCN1CCC(OCc2ccc(F)cc2)CC1 ZINC000091886732 370076090 /nfs/dbraw/zinc/07/60/90/370076090.db2.gz RBOXACICSZAPQZ-UHFFFAOYSA-N 0 3 276.355 3.110 20 30 CGEDHN N#Cc1ccc2ncc(CN3CCC[C@@H]3C3CCCC3)n2c1 ZINC000092401472 370096307 /nfs/dbraw/zinc/09/63/07/370096307.db2.gz YYSHYRIRLMOZOZ-QGZVFWFLSA-N 0 3 294.402 3.361 20 30 CGEDHN CC(C)Oc1ccccc1C(=O)C(C#N)c1ccccn1 ZINC000106353728 370351669 /nfs/dbraw/zinc/35/16/69/370351669.db2.gz YPTNUMWSZKZJQH-AWEZNQCLSA-N 0 3 280.327 3.359 20 30 CGEDHN C[C@@H](C/N=C/c1ccccc1O)N(C)Cc1ccccc1 ZINC000110129358 370370718 /nfs/dbraw/zinc/37/07/18/370370718.db2.gz DATLVQBXYDYWPK-SJPXOZHESA-N 0 3 282.387 3.332 20 30 CGEDHN C=CC[C@H](C)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000116853707 370571351 /nfs/dbraw/zinc/57/13/51/370571351.db2.gz KCXPRUGBTBWWDR-AWEZNQCLSA-N 0 3 286.419 3.365 20 30 CGEDHN C[C@@H](C[C@@H](O)c1ccccc1)NCc1ccc(C#N)s1 ZINC000129910525 371005237 /nfs/dbraw/zinc/00/52/37/371005237.db2.gz ZCUDFECQLGLHFD-BLLLJJGKSA-N 0 3 286.400 3.222 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)CC[C@@H]1C ZINC000130476537 371036102 /nfs/dbraw/zinc/03/61/02/371036102.db2.gz MGHCWMNKNHNKCE-OLZOCXBDSA-N 0 3 258.365 3.187 20 30 CGEDHN C#CCCOc1ccc(CN(C)[C@@H]2CCSC2)cc1 ZINC000130577460 371044167 /nfs/dbraw/zinc/04/41/67/371044167.db2.gz RWPIEFDBHQCPOS-OAHLLOKOSA-N 0 3 275.417 3.026 20 30 CGEDHN C=CCOc1cccc(CN(CC)C[C@H]2CCCO2)c1 ZINC000131779087 371129465 /nfs/dbraw/zinc/12/94/65/371129465.db2.gz KLFSQVPJBMYCAU-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000132103063 371152349 /nfs/dbraw/zinc/15/23/49/371152349.db2.gz PDEPOHLLQLBHPA-UHFFFAOYSA-N 0 3 263.381 3.490 20 30 CGEDHN N#Cc1ccc(CNCCCn2ccc3ccccc32)o1 ZINC000135127204 371392536 /nfs/dbraw/zinc/39/25/36/371392536.db2.gz JKVWXYFRONNUGU-UHFFFAOYSA-N 0 3 279.343 3.286 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3ccccc32)s1 ZINC000135673987 371443085 /nfs/dbraw/zinc/44/30/85/371443085.db2.gz UANGIFSSEJKXFY-OAHLLOKOSA-N 0 3 254.358 3.397 20 30 CGEDHN N#Cc1ccc(CNCCOC2CCCCC2)s1 ZINC000135687311 371443991 /nfs/dbraw/zinc/44/39/91/371443991.db2.gz ZPXWFJFTRKBCTK-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C#N)s1 ZINC000151902559 371649516 /nfs/dbraw/zinc/64/95/16/371649516.db2.gz ZIPXAGCRZICLNM-HNNXBMFYSA-N 0 3 284.384 3.405 20 30 CGEDHN CCOC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000353344788 220036808 /nfs/dbraw/zinc/03/68/08/220036808.db2.gz MIHLTOXXNQGTIA-BLLLJJGKSA-N 0 3 278.371 3.409 20 30 CGEDHN CCN(CC#Cc1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 ZINC000289973300 371867365 /nfs/dbraw/zinc/86/73/65/371867365.db2.gz XEQNNOCNKXQUHE-KRWDZBQOSA-N 0 3 289.394 3.457 20 30 CGEDHN C=C[C@H](CO)N[C@@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000289991777 371872470 /nfs/dbraw/zinc/87/24/70/371872470.db2.gz YMGFEBKADASRHC-AEFFLSMTSA-N 0 3 285.387 3.436 20 30 CGEDHN C=CCN(C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000154766470 371876843 /nfs/dbraw/zinc/87/68/43/371876843.db2.gz AHBUUBLOAJPORC-UHFFFAOYSA-N 0 3 261.756 3.348 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1ccccc1)CC2 ZINC000353349736 220040097 /nfs/dbraw/zinc/04/00/97/220040097.db2.gz OVGUTKJLVSVDOS-SFHVURJKSA-N 0 3 278.355 3.214 20 30 CGEDHN CC#CCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000155755773 371943658 /nfs/dbraw/zinc/94/36/58/371943658.db2.gz GRBAQAMGPJITCK-OAHLLOKOSA-N 0 3 273.351 3.134 20 30 CGEDHN C[C@@H](N[C@H]1COc2ccc(F)cc2C1)c1cccc(C#N)c1 ZINC000290478795 371999000 /nfs/dbraw/zinc/99/90/00/371999000.db2.gz XGNZLIWGOJPYSN-SJKOYZFVSA-N 0 3 296.345 3.352 20 30 CGEDHN CC#CCCN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000157973583 372045877 /nfs/dbraw/zinc/04/58/77/372045877.db2.gz XYFQIHSCJJRWNX-MRXNPFEDSA-N 0 3 294.402 3.065 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000424750220 372097244 /nfs/dbraw/zinc/09/72/44/372097244.db2.gz KLOGMSXTXKIPHC-HZPDHXFCSA-N 0 3 286.419 3.150 20 30 CGEDHN CC(C)(C)OC(=O)CC[C@H]1CCCCN1CCCC#N ZINC000425473029 372127911 /nfs/dbraw/zinc/12/79/11/372127911.db2.gz JTIFLTWMJMEQEH-CQSZACIVSA-N 0 3 280.412 3.267 20 30 CGEDHN COc1ccc(Cl)cc1C(C)(C)NCCOCCC#N ZINC000425515894 372129575 /nfs/dbraw/zinc/12/95/75/372129575.db2.gz UHYDGUFYRMLEGT-UHFFFAOYSA-N 0 3 296.798 3.104 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000425530632 372130690 /nfs/dbraw/zinc/13/06/90/372130690.db2.gz FRYABANZLPQYTF-DVOMOZLQSA-N 0 3 258.365 3.119 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@](CC)(CO)C1 ZINC000428448600 372202877 /nfs/dbraw/zinc/20/28/77/372202877.db2.gz QIWJWPOSJNHERM-GOSISDBHSA-N 0 3 289.419 3.236 20 30 CGEDHN C=C1CCN(C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000293160196 372316249 /nfs/dbraw/zinc/31/62/49/372316249.db2.gz RMKPZIWMUIMHNY-CQSZACIVSA-N 0 3 257.333 3.118 20 30 CGEDHN N#CCC1(CN[C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000430751442 372395896 /nfs/dbraw/zinc/39/58/96/372395896.db2.gz WLRXBIHWUKOXOV-KRWDZBQOSA-N 0 3 292.386 3.044 20 30 CGEDHN Cc1cccc(NCCN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000344339708 217158921 /nfs/dbraw/zinc/15/89/21/217158921.db2.gz XQTVIMKVQGQKCC-AWEZNQCLSA-N 0 3 280.375 3.024 20 30 CGEDHN CCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000430750874 372396749 /nfs/dbraw/zinc/39/67/49/372396749.db2.gz QEQCRFQVSUVIIJ-CYBMUJFWSA-N 0 3 258.365 3.430 20 30 CGEDHN CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000163266052 372457497 /nfs/dbraw/zinc/45/74/97/372457497.db2.gz FAMJNLUTZMVRBS-YPMHNXCESA-N 0 3 291.420 3.117 20 30 CGEDHN C=CCC(C)(C)CN[C@H](C)c1cc(C(=O)OC)co1 ZINC000293746378 372466146 /nfs/dbraw/zinc/46/61/46/372466146.db2.gz PVENLEFLXYRGQK-LLVKDONJSA-N 0 3 265.353 3.319 20 30 CGEDHN C=C[C@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433286290 372586195 /nfs/dbraw/zinc/58/61/95/372586195.db2.gz JFWPONDIRQSFFB-IINYFYTJSA-N 0 3 260.337 3.481 20 30 CGEDHN C[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433311148 372588770 /nfs/dbraw/zinc/58/87/70/372588770.db2.gz GFVAZAXVWJFHQV-NVXWUHKLSA-N 0 3 284.403 3.408 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCC1=CCCC1 ZINC000433371987 372599553 /nfs/dbraw/zinc/59/95/53/372599553.db2.gz NVZKZBIGLSTCEO-QGZVFWFLSA-N 0 3 282.387 3.376 20 30 CGEDHN C#CCCOc1ccc(CN2CC[C@@H](SC)C2)cc1 ZINC000294951637 372682314 /nfs/dbraw/zinc/68/23/14/372682314.db2.gz DAVAWBYMRLHLDJ-MRXNPFEDSA-N 0 3 275.417 3.026 20 30 CGEDHN C=CCC(F)(F)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000295040717 372687889 /nfs/dbraw/zinc/68/78/89/372687889.db2.gz PLLWWSJZVRXTAH-UHFFFAOYSA-N 0 3 293.317 3.466 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434898076 372716051 /nfs/dbraw/zinc/71/60/51/372716051.db2.gz AXLRFYZQGFOFNU-SJLPKXTDSA-N 0 3 298.430 3.065 20 30 CGEDHN Cc1c(C)c(C)c(CNC(=O)C(C)C#N)c(C)c1C ZINC000435695577 372795423 /nfs/dbraw/zinc/79/54/23/372795423.db2.gz NURYSJIDNIJJCY-VIFPVBQESA-N 0 3 258.365 3.005 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000171736907 372820450 /nfs/dbraw/zinc/82/04/50/372820450.db2.gz MYWAZXAUCQWZPT-UHFFFAOYSA-N 0 3 287.407 3.075 20 30 CGEDHN C=C(C)CN(CC)Cc1cncc(Br)c1 ZINC000172188753 372923457 /nfs/dbraw/zinc/92/34/57/372923457.db2.gz JMEUEVAFGHZDIW-UHFFFAOYSA-N 0 3 269.186 3.242 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cc(C(F)(F)F)n[nH]1 ZINC000440621510 372988899 /nfs/dbraw/zinc/98/88/99/372988899.db2.gz YNSYSFFKRVMHMF-SECBINFHSA-N 0 3 261.291 3.263 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000442657872 373060810 /nfs/dbraw/zinc/06/08/10/373060810.db2.gz WBARFZYCHDBRJU-NJAFHUGGSA-N 0 3 283.419 3.105 20 30 CGEDHN COc1cc(Cl)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442790405 373084372 /nfs/dbraw/zinc/08/43/72/373084372.db2.gz GGZBLPBORHGAPV-MFKMUULPSA-N 0 3 264.756 3.130 20 30 CGEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000444676931 373232928 /nfs/dbraw/zinc/23/29/28/373232928.db2.gz OTSJVLSYWZJDRH-RDJZCZTQSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CCCCN(C)Cc1cncn1Cc1ccccc1 ZINC000445812010 373316956 /nfs/dbraw/zinc/31/69/56/373316956.db2.gz VEJXADMNOOORCF-UHFFFAOYSA-N 0 3 269.392 3.329 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000298752985 373400845 /nfs/dbraw/zinc/40/08/45/373400845.db2.gz HRPVRMZEASJCKN-QGZVFWFLSA-N 0 3 281.359 3.102 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2cccnc2)C2CC2)C1 ZINC000447588175 373459545 /nfs/dbraw/zinc/45/95/45/373459545.db2.gz SQNRLUXSXSMHIG-KCXAZCMYSA-N 0 3 255.365 3.205 20 30 CGEDHN CC[C@H](NCCOC(F)(F)F)c1ccc(C#N)cc1 ZINC000447596312 373461217 /nfs/dbraw/zinc/46/12/17/373461217.db2.gz CFFUGUGNBLLIOO-LBPRGKRZSA-N 0 3 272.270 3.135 20 30 CGEDHN C=CCCCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175404305 373463639 /nfs/dbraw/zinc/46/36/39/373463639.db2.gz RRJFWVFZCDBFMF-SCLBCKFNSA-N 0 3 265.422 3.383 20 30 CGEDHN Cc1cc(C)c(C#N)c(NC[C@H]2N(C)CCCC2(C)C)n1 ZINC000447807165 373493973 /nfs/dbraw/zinc/49/39/73/373493973.db2.gz QEOTUKQEDAODPO-OAHLLOKOSA-N 0 3 286.423 3.102 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@H]1CCCOC1 ZINC000177152131 373657855 /nfs/dbraw/zinc/65/78/55/373657855.db2.gz PGCOCIXGOXCRCB-OAHLLOKOSA-N 0 3 277.795 3.050 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(CC)CC2)CCCCC1 ZINC000448943199 373651986 /nfs/dbraw/zinc/65/19/86/373651986.db2.gz VYKJAHDWMGSBNJ-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN CC[C@@H](C)c1nnc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000449284875 373677409 /nfs/dbraw/zinc/67/74/09/373677409.db2.gz PMNLZSQJLRHVPF-MAHYQRQESA-N 0 3 289.427 3.441 20 30 CGEDHN CC[C@@H](C)c1nnc([C@H](C)NC2CCC(C)(C#N)CC2)[nH]1 ZINC000449284875 373677417 /nfs/dbraw/zinc/67/74/17/373677417.db2.gz PMNLZSQJLRHVPF-MAHYQRQESA-N 0 3 289.427 3.441 20 30 CGEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301178391 373684997 /nfs/dbraw/zinc/68/49/97/373684997.db2.gz NKFOFGUWTTYUPM-UHFFFAOYSA-N 0 3 295.770 3.311 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](SC)C2)cc1 ZINC000449447379 373727363 /nfs/dbraw/zinc/72/73/63/373727363.db2.gz YJMSXRIPRSQUKC-OAHLLOKOSA-N 0 3 263.406 3.189 20 30 CGEDHN C=C(C)CN(CC)C[C@@H](O)COc1cccc2ccccc21 ZINC000301313858 373742467 /nfs/dbraw/zinc/74/24/67/373742467.db2.gz HGISGJXQAFTSLL-QGZVFWFLSA-N 0 3 299.414 3.478 20 30 CGEDHN N#Cc1ccccc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000449517973 373817491 /nfs/dbraw/zinc/81/74/91/373817491.db2.gz LVFSSSOGDBJCTG-MSOLQXFVSA-N 0 3 296.414 3.339 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1COc2ccccc21 ZINC000179006526 373827803 /nfs/dbraw/zinc/82/78/03/373827803.db2.gz IIVAASMOHXUELS-WBMJQRKESA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCC1(NCc2nc(C#N)cs2)CCCCC1 ZINC000449575401 373833672 /nfs/dbraw/zinc/83/36/72/373833672.db2.gz MJSSFFQQDGMOPG-UHFFFAOYSA-N 0 3 261.394 3.383 20 30 CGEDHN COc1ccccc1CN(C)CC(C)(C)CCC#N ZINC000179589761 373890568 /nfs/dbraw/zinc/89/05/68/373890568.db2.gz CSWGIXGCBQPHSB-UHFFFAOYSA-N 0 3 260.381 3.457 20 30 CGEDHN C[C@]12CN(Cc3ccc(C#N)o3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000449762952 373891744 /nfs/dbraw/zinc/89/17/44/373891744.db2.gz NDAYQUCQMMBLIQ-NOXHYTERSA-N 0 3 256.349 3.019 20 30 CGEDHN Cn1cc(CN2CC[C@@H](CC(C)(C)C)C2)cc1C#N ZINC000449775338 373903916 /nfs/dbraw/zinc/90/39/16/373903916.db2.gz MFPVHQVYAFZEGY-ZDUSSCGKSA-N 0 3 259.397 3.155 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000449697038 373844800 /nfs/dbraw/zinc/84/48/00/373844800.db2.gz JTJGTYCIDMTRMO-LBPRGKRZSA-N 0 3 291.288 3.261 20 30 CGEDHN C=CCN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179689917 373905136 /nfs/dbraw/zinc/90/51/36/373905136.db2.gz QPQFOZLOGUIXPV-CQSZACIVSA-N 0 3 268.360 3.497 20 30 CGEDHN N#Cc1ccccc1OCCNC1(c2cccc(F)c2)CC1 ZINC000179703719 373907227 /nfs/dbraw/zinc/90/72/27/373907227.db2.gz GUDDAKQAAAJXEF-UHFFFAOYSA-N 0 3 296.345 3.355 20 30 CGEDHN CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000180445289 374008173 /nfs/dbraw/zinc/00/81/73/374008173.db2.gz JXJOSXIFFYSACQ-UHFFFAOYSA-N 0 3 284.363 3.227 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(OC)cc1F ZINC000180459156 374010945 /nfs/dbraw/zinc/01/09/45/374010945.db2.gz DYPIODVPOFPUGI-NSHDSACASA-N 0 3 269.385 3.404 20 30 CGEDHN C=CCN(CC(=O)N(CC)CC(=C)C)CC1CCCCC1 ZINC000303435985 374018858 /nfs/dbraw/zinc/01/88/58/374018858.db2.gz GESVFECWKVKKOP-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000449989892 373980592 /nfs/dbraw/zinc/98/05/92/373980592.db2.gz VNRFDDLCMQIYNQ-LSDHHAIUSA-N 0 3 278.440 3.064 20 30 CGEDHN CO[C@]1(C)C[C@@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC000180251956 373983803 /nfs/dbraw/zinc/98/38/03/373983803.db2.gz UAGJZUYTNHWFHN-UKRRQHHQSA-N 0 3 278.421 3.255 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H]([C@H](C)O)C2)cc1Cl ZINC000180864606 374055270 /nfs/dbraw/zinc/05/52/70/374055270.db2.gz LVXXLOKFLQDVPM-JSGCOSHPSA-N 0 3 295.810 3.108 20 30 CGEDHN COc1ccccc1OCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000316267632 374331718 /nfs/dbraw/zinc/33/17/18/374331718.db2.gz WUDKCPCKUQSHGK-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC(C)(C)CC1 ZINC000316579493 374334754 /nfs/dbraw/zinc/33/47/54/374334754.db2.gz RYEVNJVBOKGTDM-AWEZNQCLSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@H](CN(C)Cc1ccccc1)NCc1cc(C#N)cs1 ZINC000182682726 374315153 /nfs/dbraw/zinc/31/51/53/374315153.db2.gz WYCPNFWLUNWKPC-CQSZACIVSA-N 0 3 299.443 3.230 20 30 CGEDHN CC[C@@H](C)[C@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183045446 374361595 /nfs/dbraw/zinc/36/15/95/374361595.db2.gz UAAJWWFNZZQKBK-MNOVXSKESA-N 0 3 293.798 3.174 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccccc1OC(F)(F)F ZINC000320268728 374349897 /nfs/dbraw/zinc/34/98/97/374349897.db2.gz LAECQVFMULFNPO-GFCCVEGCSA-N 0 3 289.297 3.002 20 30 CGEDHN Cc1c([C@@H](C)NCCCC#N)cnn1-c1ccc(F)cc1 ZINC000183000142 374353612 /nfs/dbraw/zinc/35/36/12/374353612.db2.gz OADGRGNFQKEXSC-GFCCVEGCSA-N 0 3 286.354 3.274 20 30 CGEDHN Cc1cnc([C@@H](C)CNCc2cc(C#N)cs2)s1 ZINC000184344327 374515430 /nfs/dbraw/zinc/51/54/30/374515430.db2.gz BNXMLWRNOSWZOQ-VIFPVBQESA-N 0 3 277.418 3.278 20 30 CGEDHN C=CCOc1ccc(CN2CCC(OCC)CC2)cc1 ZINC000091676353 541968134 /nfs/dbraw/zinc/96/81/34/541968134.db2.gz LHJHTYVEJGJSFG-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185598410 374695522 /nfs/dbraw/zinc/69/55/22/374695522.db2.gz XUAQLYHHXNGUAY-SWLSCSKDSA-N 0 3 296.374 3.229 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCOCC2)c(F)c1 ZINC000334202121 374656979 /nfs/dbraw/zinc/65/69/79/374656979.db2.gz RSQQZYKLEVZBDV-QGZVFWFLSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@@H]1COc2ccccc21 ZINC000185571059 374690124 /nfs/dbraw/zinc/69/01/24/374690124.db2.gz UNEBJJUZTINPSG-LRDDRELGSA-N 0 3 296.345 3.352 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCCOc2ccc(Cl)cc2)C1 ZINC000185754311 374730319 /nfs/dbraw/zinc/73/03/19/374730319.db2.gz FHLPTIFWLFHOER-OCCSQVGLSA-N 0 3 278.783 3.391 20 30 CGEDHN C=CCSCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185968754 374776845 /nfs/dbraw/zinc/77/68/45/374776845.db2.gz CSVKLGYYIRFHOP-LBPRGKRZSA-N 0 3 251.395 3.270 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000186696278 374900207 /nfs/dbraw/zinc/90/02/07/374900207.db2.gz YXGZVWMUFCKNAG-GXSJLCMTSA-N 0 3 257.736 3.067 20 30 CGEDHN CC1(C)CC[C@@H](CN(Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000186795779 374920001 /nfs/dbraw/zinc/92/00/01/374920001.db2.gz QYGFMMDEJVUWKR-KRWDZBQOSA-N 0 3 284.403 3.480 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](CC)c1ccc(Cl)s1 ZINC000186709480 374904336 /nfs/dbraw/zinc/90/43/36/374904336.db2.gz JTGJFMORNSBNBK-VHSXEESVSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000186719295 374905745 /nfs/dbraw/zinc/90/57/45/374905745.db2.gz XQRSITWGOMWAMD-ZYHUDNBSSA-N 0 3 289.297 3.173 20 30 CGEDHN C=CCOCCCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000470867718 375001514 /nfs/dbraw/zinc/00/15/14/375001514.db2.gz YICSRJPZHFWSQZ-GFCCVEGCSA-N 0 3 279.346 3.490 20 30 CGEDHN CO[C@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000483684828 375182523 /nfs/dbraw/zinc/18/25/23/375182523.db2.gz NESHRRACRVIJLP-CVEARBPZSA-N 0 3 277.795 3.239 20 30 CGEDHN CC#CCCNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000482162519 375167053 /nfs/dbraw/zinc/16/70/53/375167053.db2.gz HLEPJJSLQLSTLI-UHFFFAOYSA-N 0 3 273.376 3.145 20 30 CGEDHN CC[C@@H](CN(CC)C(=O)C(C)C#N)c1ccccc1 ZINC000482256490 375169703 /nfs/dbraw/zinc/16/97/03/375169703.db2.gz XXIIZAFOEKKJHP-KBPBESRZSA-N 0 3 258.365 3.188 20 30 CGEDHN CCN(CCOCC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000188871682 375284126 /nfs/dbraw/zinc/28/41/26/375284126.db2.gz IJKZGIKBZQEAAC-GFCCVEGCSA-N 0 3 282.334 3.223 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc(F)cc(Br)c2)C1 ZINC000335559467 375330977 /nfs/dbraw/zinc/33/09/77/375330977.db2.gz AGILKTJWHZJSSS-TVQRCGJNSA-N 0 3 297.171 3.370 20 30 CGEDHN C=CC[C@H](C(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000189278039 375354377 /nfs/dbraw/zinc/35/43/77/375354377.db2.gz XHXZOIDDBMJZEG-SFHVURJKSA-N 0 3 298.430 3.113 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000498918036 375629136 /nfs/dbraw/zinc/62/91/36/375629136.db2.gz ZTYZGTUELOHGTG-HUUCEWRRSA-N 0 3 290.838 3.106 20 30 CGEDHN CN(CCC1CCCCC1)Cc1cc(C#N)n(C)c1 ZINC000191299140 375607957 /nfs/dbraw/zinc/60/79/57/375607957.db2.gz UNAJTFNNBBNFIE-UHFFFAOYSA-N 0 3 259.397 3.299 20 30 CGEDHN CN(CCN(C)c1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192015021 375689301 /nfs/dbraw/zinc/68/93/01/375689301.db2.gz MTZHKDWBFQCEOG-UHFFFAOYSA-N 0 3 297.377 3.266 20 30 CGEDHN C[C@H](NCC#Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000192186129 375708490 /nfs/dbraw/zinc/70/84/90/375708490.db2.gz SYMRJQCWZZSHIM-YJBOKZPZSA-N 0 3 277.367 3.192 20 30 CGEDHN C=C(CC)CN(C)CCc1nc(-c2ccccc2)no1 ZINC000512212585 375794856 /nfs/dbraw/zinc/79/48/56/375794856.db2.gz LMVQHNBLMKVPLP-UHFFFAOYSA-N 0 3 271.364 3.177 20 30 CGEDHN CC(C)(C)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000514738430 375805358 /nfs/dbraw/zinc/80/53/58/375805358.db2.gz IDMRNRQIIPLBMD-AWEZNQCLSA-N 0 3 279.343 3.264 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3[C@@H](C)[C@@H]3C3CC3)nc21 ZINC000528954423 375915401 /nfs/dbraw/zinc/91/54/01/375915401.db2.gz RYLQNEMDWOYOJZ-QMGNLALYSA-N 0 3 293.370 3.340 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3[C@@H](C)[C@@H]3C3CC3)[nH]c21 ZINC000528954423 375915405 /nfs/dbraw/zinc/91/54/05/375915405.db2.gz RYLQNEMDWOYOJZ-QMGNLALYSA-N 0 3 293.370 3.340 20 30 CGEDHN COc1cc(C#N)ccc1CN(CC1CC1)C(C)C ZINC000535045121 376014266 /nfs/dbraw/zinc/01/42/66/376014266.db2.gz BXMYOKGQRJIJSL-UHFFFAOYSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@H](C)CC)C1=O ZINC000337135430 376092623 /nfs/dbraw/zinc/09/26/23/376092623.db2.gz NSDNMNAJXVVIHT-WBVHZDCISA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@H](N2CC[C@@H](C)C3(CCCCC3)C2)C1=O ZINC000337216056 376142851 /nfs/dbraw/zinc/14/28/51/376142851.db2.gz YXKXEZOBHPJQBM-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000337760527 376238667 /nfs/dbraw/zinc/23/86/67/376238667.db2.gz ZFTCORHUPQISEP-UHFFFAOYSA-N 0 3 278.440 3.115 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1cccc(C#N)c1F ZINC000222572195 376239132 /nfs/dbraw/zinc/23/91/32/376239132.db2.gz MPOHCWUYOAGAEK-XJKSGUPXSA-N 0 3 290.382 3.213 20 30 CGEDHN CCCN1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000337909873 376247103 /nfs/dbraw/zinc/24/71/03/376247103.db2.gz HAZOOEKLNZRBQX-UHFFFAOYSA-N 0 3 297.324 3.109 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000539464256 376313427 /nfs/dbraw/zinc/31/34/27/376313427.db2.gz FXYPOMHMFJNNPA-HNNXBMFYSA-N 0 3 295.471 3.247 20 30 CGEDHN C[C@H](NC[C@H](C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000338380926 376356540 /nfs/dbraw/zinc/35/65/40/376356540.db2.gz PILLQEUYOFTWKE-UWVGGRQHSA-N 0 3 256.271 3.407 20 30 CGEDHN CCN(CC1CCC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000230316490 376505960 /nfs/dbraw/zinc/50/59/60/376505960.db2.gz YYJZLWDJEVGCGH-ZDUSSCGKSA-N 0 3 285.391 3.007 20 30 CGEDHN COc1cc(CNCc2ccc(C)cc2)ccc1C#N ZINC000234926509 376624987 /nfs/dbraw/zinc/62/49/87/376624987.db2.gz SQYQOOZLPFZJDL-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN COc1cc(CN2CCC[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000234999231 376627368 /nfs/dbraw/zinc/62/73/68/376627368.db2.gz VXQDVPPNNLYEPL-HOCLYGCPSA-N 0 3 270.376 3.331 20 30 CGEDHN C[C@@H]1CCCCN1CCCNc1nc(Cl)c(C#N)s1 ZINC000235250443 376637492 /nfs/dbraw/zinc/63/74/92/376637492.db2.gz OEYUVKXNCBQZGT-SNVBAGLBSA-N 0 3 298.843 3.345 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)CC(C)(C)O1 ZINC000235361328 376638953 /nfs/dbraw/zinc/63/89/53/376638953.db2.gz SHRCSBJWBXXBHZ-CYBMUJFWSA-N 0 3 252.402 3.206 20 30 CGEDHN CC(C)n1cc([C@@H](C)NCCOc2ccccc2C#N)cn1 ZINC000543502615 376650407 /nfs/dbraw/zinc/65/04/07/376650407.db2.gz DXUVTOAITSGSDG-CQSZACIVSA-N 0 3 298.390 3.065 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000339130613 376696554 /nfs/dbraw/zinc/69/65/54/376696554.db2.gz ZXQVBSYOWFGIHV-LALPHHSUSA-N 0 3 256.349 3.051 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)CC(C)(C)C1 ZINC000544113566 376705318 /nfs/dbraw/zinc/70/53/18/376705318.db2.gz BXZQYXFUKUAAOI-CYBMUJFWSA-N 0 3 272.392 3.435 20 30 CGEDHN COc1cccc(CNCCCCC#N)c1OC(F)F ZINC000237261047 376738711 /nfs/dbraw/zinc/73/87/11/376738711.db2.gz JMXAKBGBTYYJMP-UHFFFAOYSA-N 0 3 284.306 3.080 20 30 CGEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@H](C)C#N ZINC000545241134 376802580 /nfs/dbraw/zinc/80/25/80/376802580.db2.gz RSQSBBXWSSUJAV-GHMZBOCLSA-N 0 3 270.298 3.386 20 30 CGEDHN C=CCOc1ccccc1CNCC1(CO)CCCCC1 ZINC000157375985 542134239 /nfs/dbraw/zinc/13/42/39/542134239.db2.gz FVAKDDGKLQCMFH-UHFFFAOYSA-N 0 3 289.419 3.284 20 30 CGEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1CC1CCC1 ZINC000339773929 376840430 /nfs/dbraw/zinc/84/04/30/376840430.db2.gz YUBWBWWPBGIFDX-HNNXBMFYSA-N 0 3 264.413 3.207 20 30 CGEDHN C=CCN(CCOC)Cc1ccc2ccccc2c1 ZINC000553996643 376848453 /nfs/dbraw/zinc/84/84/53/376848453.db2.gz FCXIJRLPIHPYNQ-UHFFFAOYSA-N 0 3 255.361 3.474 20 30 CGEDHN Cc1cccc2c(CCNC[C@@H](C#N)CCC#N)c[nH]c21 ZINC000555914369 376860199 /nfs/dbraw/zinc/86/01/99/376860199.db2.gz MUBSHOUMBPVNNM-CQSZACIVSA-N 0 3 280.375 3.052 20 30 CGEDHN CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000245861937 376920894 /nfs/dbraw/zinc/92/08/94/376920894.db2.gz IVOKBIXIMZVLFN-MVWJERBFSA-N 0 3 291.395 3.119 20 30 CGEDHN C#CCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246992070 377133045 /nfs/dbraw/zinc/13/30/45/377133045.db2.gz KFTOPNHXEWJVFD-UONOGXRCSA-N 0 3 263.406 3.049 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCCC[C@H]1O ZINC000562442595 377310627 /nfs/dbraw/zinc/31/06/27/377310627.db2.gz UWVRDLSNEFYXIN-SJLPKXTDSA-N 0 3 289.419 3.234 20 30 CGEDHN C=CCN(CCc1ccco1)CCc1ccncc1C ZINC000563061583 377394846 /nfs/dbraw/zinc/39/48/46/377394846.db2.gz NDZFFHRMXYESFA-UHFFFAOYSA-N 0 3 270.376 3.256 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3cc(F)ccc32)C1 ZINC000248905098 377425216 /nfs/dbraw/zinc/42/52/16/377425216.db2.gz UTJLCYUSPLJGFL-WPGHFRTFSA-N 0 3 258.340 3.485 20 30 CGEDHN Cc1sccc1CNCc1ccc(CC#N)cc1 ZINC000563123568 377405698 /nfs/dbraw/zinc/40/56/98/377405698.db2.gz VKNIJQHRUATVGS-UHFFFAOYSA-N 0 3 256.374 3.412 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000249085612 377459442 /nfs/dbraw/zinc/45/94/42/377459442.db2.gz BQEDSNOAPAZISC-RVKKMQEKSA-N 0 3 294.402 3.399 20 30 CGEDHN CC(C)N(C(=O)[C@H](C)N1CCC(CCC#N)CC1)C(C)C ZINC000565300875 377485882 /nfs/dbraw/zinc/48/58/82/377485882.db2.gz AMHXWSIANDNFAX-HNNXBMFYSA-N 0 3 293.455 3.036 20 30 CGEDHN CCC[C@@H](C)[C@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000566305483 377495339 /nfs/dbraw/zinc/49/53/39/377495339.db2.gz XPPSEPWPQKWQBF-CJNGLKHVSA-N 0 3 279.811 3.078 20 30 CGEDHN CC[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCS1 ZINC000249390288 377496529 /nfs/dbraw/zinc/49/65/29/377496529.db2.gz RBMUPXOIKXKFRC-DOMZBBRYSA-N 0 3 260.406 3.447 20 30 CGEDHN N#CCC[C@@H](C#N)CNCC1(c2ccccc2)CCC1 ZINC000568618808 377521253 /nfs/dbraw/zinc/52/12/53/377521253.db2.gz QGCIJOGIDGQTFN-HNNXBMFYSA-N 0 3 267.376 3.141 20 30 CGEDHN Cc1nc2ccccc2n1CCNCc1cc(C#N)cs1 ZINC000093492182 249037982 /nfs/dbraw/zinc/03/79/82/249037982.db2.gz FDGYYONRSWRWQT-UHFFFAOYSA-N 0 3 296.399 3.068 20 30 CGEDHN Cc1cncc([C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000567856502 377511959 /nfs/dbraw/zinc/51/19/59/377511959.db2.gz LNMZQDCWZPSKQV-AWEZNQCLSA-N 0 3 265.360 3.307 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)CCCC1 ZINC000569976754 377530590 /nfs/dbraw/zinc/53/05/90/377530590.db2.gz XLNMZVYBYAGHFH-HNNXBMFYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc2ncccc2c1 ZINC000570260287 377534914 /nfs/dbraw/zinc/53/49/14/377534914.db2.gz KRXGBMCKLYBQBW-UHFFFAOYSA-N 0 3 283.419 3.175 20 30 CGEDHN C[C@H](CO)N(CC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000570537999 377535947 /nfs/dbraw/zinc/53/59/47/377535947.db2.gz IIEQYPSMXIXHPP-CQSZACIVSA-N 0 3 291.822 3.317 20 30 CGEDHN C=CCCCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000573436317 377556058 /nfs/dbraw/zinc/55/60/58/377556058.db2.gz ICSMWLGBOFIHQY-MRXNPFEDSA-N 0 3 288.435 3.494 20 30 CGEDHN C=CCCCCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000573654438 377557761 /nfs/dbraw/zinc/55/77/61/377557761.db2.gz MEZGUSXCRWKJSO-GOSISDBHSA-N 0 3 265.422 3.212 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)nc1 ZINC000516781857 249244391 /nfs/dbraw/zinc/24/43/91/249244391.db2.gz YPKMXFHBXHWMGX-QGZVFWFLSA-N 0 3 291.398 3.408 20 30 CGEDHN CCCCN(C(=O)C(C)C#N)[C@@H]1CCC[C@@H](C)C1 ZINC000573993943 377604515 /nfs/dbraw/zinc/60/45/15/377604515.db2.gz SCBBGVTURDTXFG-MGPQQGTHSA-N 0 3 250.386 3.353 20 30 CGEDHN C[C@@H](CNCC1(C#N)CC1)c1cccc(Br)c1 ZINC000574137622 377623814 /nfs/dbraw/zinc/62/38/14/377623814.db2.gz MJUXQJOLNRKZHO-NSHDSACASA-N 0 3 293.208 3.446 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccc(OC)cn1 ZINC000342470723 377651930 /nfs/dbraw/zinc/65/19/30/377651930.db2.gz KYMHMZDYGXMFIJ-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN CC(C#N)C(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000342753699 377775121 /nfs/dbraw/zinc/77/51/21/377775121.db2.gz HFKXZMOEZSSNFR-NFAWXSAZSA-N 0 3 256.349 3.146 20 30 CGEDHN C[C@](CO)(NCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000265914652 190217196 /nfs/dbraw/zinc/21/71/96/190217196.db2.gz HZWAQLJOOLYCGR-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@@](CO)(NCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000265914650 190217198 /nfs/dbraw/zinc/21/71/98/190217198.db2.gz HZWAQLJOOLYCGR-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN Cc1ccc(C#N)c(SCCN(C)Cc2ccccc2)n1 ZINC000343077710 377896401 /nfs/dbraw/zinc/89/64/01/377896401.db2.gz DIXIHOCWCXSJIP-UHFFFAOYSA-N 0 3 297.427 3.486 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1F)N1CCCC[C@@H]1C ZINC000343281588 377946502 /nfs/dbraw/zinc/94/65/02/377946502.db2.gz FEILWQIEXRLXNR-UONOGXRCSA-N 0 3 289.398 3.050 20 30 CGEDHN Cc1ccccc1OCCNCc1ccc(C#N)cc1F ZINC000343431903 377978298 /nfs/dbraw/zinc/97/82/98/377978298.db2.gz HASGIMRAIXMGPY-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN C=CCC[C@@H](C)NCc1ccncc1OCC(F)(F)F ZINC000343512703 378002121 /nfs/dbraw/zinc/00/21/21/378002121.db2.gz NDJVZWMYPZETMV-LLVKDONJSA-N 0 3 288.313 3.467 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000268632168 378084339 /nfs/dbraw/zinc/08/43/39/378084339.db2.gz KQSIWTJTIPPWEZ-SWLSCSKDSA-N 0 3 251.345 3.146 20 30 CGEDHN CCC[C@H]1[C@@H](C)CCCN1Cc1ccc(C#N)cn1 ZINC000578334742 378060017 /nfs/dbraw/zinc/06/00/17/378060017.db2.gz WUONBJYBYXIUHX-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN Cn1cc([C@H](NCc2ccc(CC#N)cc2)C(C)(C)C)cn1 ZINC000343699781 378068956 /nfs/dbraw/zinc/06/89/56/378068956.db2.gz VLJQEIKNWBQLMQ-KRWDZBQOSA-N 0 3 296.418 3.363 20 30 CGEDHN CC(C)C1(CNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000343739822 378080168 /nfs/dbraw/zinc/08/01/68/378080168.db2.gz NIFGWHLTNQHAEL-INIZCTEOSA-N 0 3 284.403 3.311 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](CC)CC1 ZINC000343911921 378132921 /nfs/dbraw/zinc/13/29/21/378132921.db2.gz FGALOPCJKOGQBP-HOTGVXAUSA-N 0 3 278.440 3.088 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)s1 ZINC000579241023 378143124 /nfs/dbraw/zinc/14/31/24/378143124.db2.gz CKQGTHMTOKMJON-ZDUSSCGKSA-N 0 3 269.373 3.004 20 30 CGEDHN CC#CCCN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343774443 378088263 /nfs/dbraw/zinc/08/82/63/378088263.db2.gz CGSVWSOYCBUFIQ-GFCCVEGCSA-N 0 3 299.340 3.032 20 30 CGEDHN CCCN(CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000582189461 378291159 /nfs/dbraw/zinc/29/11/59/378291159.db2.gz QKLZKFHCXWOWTG-UHFFFAOYSA-N 0 3 293.798 3.271 20 30 CGEDHN COc1cc(C)ccc1[C@H](C)NCC1(CC#N)CC1 ZINC000582344377 378304713 /nfs/dbraw/zinc/30/47/13/378304713.db2.gz JCTBWGIQEZUQIA-ZDUSSCGKSA-N 0 3 258.365 3.348 20 30 CGEDHN CCCCN(C)C[C@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000584015470 378367009 /nfs/dbraw/zinc/36/70/09/378367009.db2.gz ISQBSOBJUTUWTN-ZDUSSCGKSA-N 0 3 287.407 3.293 20 30 CGEDHN CC(C)(CC#N)CNCc1ccnc2ccccc12 ZINC000584396448 378380331 /nfs/dbraw/zinc/38/03/31/378380331.db2.gz VHDHSEULVAYAGC-UHFFFAOYSA-N 0 3 253.349 3.264 20 30 CGEDHN C#CCCCN(C)Cc1ccc(Br)s1 ZINC000270983261 378421684 /nfs/dbraw/zinc/42/16/84/378421684.db2.gz CODQJQJBQYHRSI-UHFFFAOYSA-N 0 3 272.211 3.356 20 30 CGEDHN C[C@@H](NC[C@H](O)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271931785 378520667 /nfs/dbraw/zinc/52/06/67/378520667.db2.gz ILUMZFBLMBNJCH-PXAZEXFGSA-N 0 3 290.382 3.289 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCCCO1 ZINC000271931909 378522854 /nfs/dbraw/zinc/52/28/54/378522854.db2.gz JVHXFMDCGQSRDF-ZENOOKHLSA-N 0 3 258.365 3.166 20 30 CGEDHN CC(C)[C@H](O)C1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271987837 378539790 /nfs/dbraw/zinc/53/97/90/378539790.db2.gz YKVCTUIDURXAKQ-LRDDRELGSA-N 0 3 290.382 3.145 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H](OC)C1CCOCC1 ZINC000637929109 378635518 /nfs/dbraw/zinc/63/55/18/378635518.db2.gz IEDMXYCCLMPWTO-GOSISDBHSA-N 0 3 289.419 3.116 20 30 CGEDHN C=CCOCCN[C@H](CC)c1cc(F)ccc1F ZINC000272495229 378649553 /nfs/dbraw/zinc/64/95/53/378649553.db2.gz CYQJHRINIJVCOP-CQSZACIVSA-N 0 3 255.308 3.208 20 30 CGEDHN C=CCOCCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000348059575 378770876 /nfs/dbraw/zinc/77/08/76/378770876.db2.gz WJJINNXYPIIRJE-HNNXBMFYSA-N 0 3 289.375 3.145 20 30 CGEDHN COc1cccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)c1 ZINC000266221501 190240704 /nfs/dbraw/zinc/24/07/04/190240704.db2.gz RKVAKGBESKXSQB-CYBMUJFWSA-N 0 3 296.370 3.426 20 30 CGEDHN N#Cc1cccc(OCCN2CCCC3(CCC3)C2)c1 ZINC000348172524 378822193 /nfs/dbraw/zinc/82/21/93/378822193.db2.gz XXEKBEZQCNQECL-UHFFFAOYSA-N 0 3 270.376 3.203 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1ccc(C#N)cc1F ZINC000348389672 378937707 /nfs/dbraw/zinc/93/77/07/378937707.db2.gz GXUREEUPFNISSO-WCQGTBRESA-N 0 3 250.292 3.239 20 30 CGEDHN N#Cc1ccc(OCCN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278578674 194053056 /nfs/dbraw/zinc/05/30/56/194053056.db2.gz CPJXEIXOHHFNNM-ZDUSSCGKSA-N 0 3 298.308 3.211 20 30 CGEDHN N#Cc1ccccc1CN[C@H]1CCc2ccccc2OC1 ZINC000370552566 379032349 /nfs/dbraw/zinc/03/23/49/379032349.db2.gz VKAIBMUYCVMXBW-KRWDZBQOSA-N 0 3 278.355 3.042 20 30 CGEDHN CC[C@H](N[C@H](CO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278791624 194157288 /nfs/dbraw/zinc/15/72/88/194157288.db2.gz QLTYVSVZRSSZDI-ZWKOTPCHSA-N 0 3 280.371 3.333 20 30 CGEDHN Cc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000266408327 190255473 /nfs/dbraw/zinc/25/54/73/190255473.db2.gz FZPGRUZQIXCTPB-KBXCAEBGSA-N 0 3 280.371 3.251 20 30 CGEDHN C=CCOCCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000639316631 379267880 /nfs/dbraw/zinc/26/78/80/379267880.db2.gz OFTAMOIUQHKZRU-UHFFFAOYSA-N 0 3 292.329 3.195 20 30 CGEDHN N#Cc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000349613719 379319511 /nfs/dbraw/zinc/31/95/11/379319511.db2.gz FKZNTRHEONWDJP-SFHVURJKSA-N 0 3 295.430 3.032 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000349804937 379392486 /nfs/dbraw/zinc/39/24/86/379392486.db2.gz UPMWZKANTYLXIQ-YPMHNXCESA-N 0 3 298.308 3.410 20 30 CGEDHN C=CCCCCN1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639810989 379596937 /nfs/dbraw/zinc/59/69/37/379596937.db2.gz YWQRLWSOIPYNAE-UHFFFAOYSA-N 0 3 294.464 3.177 20 30 CGEDHN Cn1cc(CN(Cc2ccc(O)cc2)CC2CC2)cc1C#N ZINC000289445830 197350306 /nfs/dbraw/zinc/35/03/06/197350306.db2.gz MOSZMAJVTCDFLO-UHFFFAOYSA-N 0 3 295.386 3.015 20 30 CGEDHN C[C@@H](COc1cccc(F)c1)NCc1ccc(C#N)s1 ZINC000267155604 190307374 /nfs/dbraw/zinc/30/73/74/190307374.db2.gz DKHJGRFTYOTFDD-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1CCC(C)C ZINC000351680368 379737571 /nfs/dbraw/zinc/73/75/71/379737571.db2.gz QQEWPFXNAMNNFT-MRXNPFEDSA-N 0 3 293.455 3.039 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)o1 ZINC000280590633 379742081 /nfs/dbraw/zinc/74/20/81/379742081.db2.gz ILNAZYLGBDHWPW-HAQNSBGRSA-N 0 3 270.307 3.326 20 30 CGEDHN C=CCCCN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352412197 379803745 /nfs/dbraw/zinc/80/37/45/379803745.db2.gz CTLKHPOMNQHTDP-QGZVFWFLSA-N 0 3 291.391 3.029 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(F)c1F ZINC000280694386 379765661 /nfs/dbraw/zinc/76/56/61/379765661.db2.gz RTXWDHSYZPDSHC-IUODEOHRSA-N 0 3 267.319 3.036 20 30 CGEDHN C=CCCCN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280870645 379809209 /nfs/dbraw/zinc/80/92/09/379809209.db2.gz OBCUMZBJKBKTJL-HOCLYGCPSA-N 0 3 295.448 3.025 20 30 CGEDHN N#CCc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000352448275 379818417 /nfs/dbraw/zinc/81/84/17/379818417.db2.gz QVBZBLYCJFOTCI-MSOLQXFVSA-N 0 3 296.414 3.286 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2OCCc3ccccc32)cc1F ZINC000404265176 379978596 /nfs/dbraw/zinc/97/85/96/379978596.db2.gz VLHVVYDDZZBHAX-SFHVURJKSA-N 0 3 296.345 3.101 20 30 CGEDHN CCC(CC)(CCO)NCc1ccc(Cl)cc1C#N ZINC000282533508 379940109 /nfs/dbraw/zinc/94/01/09/379940109.db2.gz VGYMNSZXNWXYJW-UHFFFAOYSA-N 0 3 280.799 3.242 20 30 CGEDHN CC(C)O[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000404711704 379982217 /nfs/dbraw/zinc/98/22/17/379982217.db2.gz RKRQZSIJSNRIAB-QGZVFWFLSA-N 0 3 272.392 3.142 20 30 CGEDHN CCCC1CCC(NCc2nc(C#N)cs2)CC1 ZINC000352837980 379992481 /nfs/dbraw/zinc/99/24/81/379992481.db2.gz CUBWUISRVJWUJZ-UHFFFAOYSA-N 0 3 263.410 3.463 20 30 CGEDHN Cc1ccc2c(CCNCc3nc(C#N)cs3)c[nH]c2c1 ZINC000352837303 379993364 /nfs/dbraw/zinc/99/33/64/379993364.db2.gz ZCPLEQNEPGBZQV-UHFFFAOYSA-N 0 3 296.399 3.137 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(O)CCCC1 ZINC000352905029 380030467 /nfs/dbraw/zinc/03/04/67/380030467.db2.gz XLFDDYBOFTVDJG-UHFFFAOYSA-N 0 3 291.439 3.147 20 30 CGEDHN N#CC1(CCN2CCC[C@H](n3cccn3)C2)CCCCC1 ZINC000411231806 380135904 /nfs/dbraw/zinc/13/59/04/380135904.db2.gz WUYJUFOZSOFNJJ-INIZCTEOSA-N 0 3 286.423 3.384 20 30 CGEDHN COc1cccc(NC2CCN([C@H](C)CCC#N)CC2)c1 ZINC000411295617 380139357 /nfs/dbraw/zinc/13/93/57/380139357.db2.gz DUYSTWKGVOGHBA-CQSZACIVSA-N 0 3 287.407 3.264 20 30 CGEDHN C=CCc1ccccc1OC[C@H](O)CN(CC)CC(=C)C ZINC000641937413 380124063 /nfs/dbraw/zinc/12/40/63/380124063.db2.gz VYXRXELOUWNHRB-QGZVFWFLSA-N 0 3 289.419 3.053 20 30 CGEDHN C=CCN(CCC1(O)CCC1)Cc1cccs1 ZINC000411138982 380129838 /nfs/dbraw/zinc/12/98/38/380129838.db2.gz QXPGRQWITURGCU-UHFFFAOYSA-N 0 3 251.395 3.041 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc([N+](=O)[O-])cc1 ZINC000414172550 380198770 /nfs/dbraw/zinc/19/87/70/380198770.db2.gz WDFKVYHYDSKSJW-LLVKDONJSA-N 0 3 261.325 3.185 20 30 CGEDHN COCC1=CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411555495 380151765 /nfs/dbraw/zinc/15/17/65/380151765.db2.gz NDHJDNZRPKMQMV-UHFFFAOYSA-N 0 3 262.397 3.129 20 30 CGEDHN COCC#CCN(C(C)C)[C@H](C)c1ccsc1 ZINC000643255272 380246033 /nfs/dbraw/zinc/24/60/33/380246033.db2.gz GCLNIGQECLANNQ-CYBMUJFWSA-N 0 3 251.395 3.169 20 30 CGEDHN CN1CCN(Cc2ccccc2C#N)C2(CCCCC2)C1 ZINC000353945553 380247377 /nfs/dbraw/zinc/24/73/77/380247377.db2.gz AMHPDBLKVQLEGU-UHFFFAOYSA-N 0 3 283.419 3.009 20 30 CGEDHN CCn1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000353947629 380249641 /nfs/dbraw/zinc/24/96/41/380249641.db2.gz NTWRNTSZNRTXLK-GOSISDBHSA-N 0 3 294.402 3.332 20 30 CGEDHN Cc1nn(C)cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353916561 380234235 /nfs/dbraw/zinc/23/42/35/380234235.db2.gz QQYWPKYOWIBSMW-KRWDZBQOSA-N 0 3 282.391 3.253 20 30 CGEDHN C[C@H](N[C@H]1CSC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000354012359 380278266 /nfs/dbraw/zinc/27/82/66/380278266.db2.gz ZEGPQBFAGMYBLT-BFVZDQMLSA-N 0 3 264.369 3.099 20 30 CGEDHN CCN(Cc1ccc(C#N)o1)[C@H](COC)Cc1ccccc1 ZINC000354062376 380306392 /nfs/dbraw/zinc/30/63/92/380306392.db2.gz ZGIUNEAMFPAJLM-INIZCTEOSA-N 0 3 298.386 3.231 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000644785807 380510016 /nfs/dbraw/zinc/51/00/16/380510016.db2.gz CJOUQEGLDNIYNG-SLEUVZQESA-N 0 3 263.406 3.142 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)CC(C)C ZINC000417388092 380616468 /nfs/dbraw/zinc/61/64/68/380616468.db2.gz ZIMUVFSWLMXLLZ-XJKSGUPXSA-N 0 3 260.381 3.270 20 30 CGEDHN OCC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000421025296 380871662 /nfs/dbraw/zinc/87/16/62/380871662.db2.gz YJDBBRUHUCVEMS-OAHLLOKOSA-N 0 3 291.822 3.176 20 30 CGEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)C2(C)C)C1=O ZINC000421019055 380871830 /nfs/dbraw/zinc/87/18/30/380871830.db2.gz LVHUDAVRAQHMDU-SJORKVTESA-N 0 3 298.430 3.041 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)c1ccccc1 ZINC000421336036 380878814 /nfs/dbraw/zinc/87/88/14/380878814.db2.gz VJFWNOCYXQIQDL-AWEZNQCLSA-N 0 3 297.377 3.312 20 30 CGEDHN C[C@H]1CCCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000358378884 381308358 /nfs/dbraw/zinc/30/83/58/381308358.db2.gz CJLLHUGWXYYRMU-INIZCTEOSA-N 0 3 299.418 3.198 20 30 CGEDHN C=C(CC)CN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000358496016 381311036 /nfs/dbraw/zinc/31/10/36/381311036.db2.gz IYRXRFXPFXVANE-ACJLOTCBSA-N 0 3 265.422 3.383 20 30 CGEDHN N#Cc1cc(Cl)ccc1CNC1(CCO)CCCCC1 ZINC000360141043 381455878 /nfs/dbraw/zinc/45/58/78/381455878.db2.gz RAUMHEPRKNXZNB-UHFFFAOYSA-N 0 3 292.810 3.387 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H]1CCC(C)(C)O1 ZINC000360235985 381492981 /nfs/dbraw/zinc/49/29/81/381492981.db2.gz YGEHBEIXSQPQNV-OAHLLOKOSA-N 0 3 263.381 3.268 20 30 CGEDHN C=C(C)COCCN[C@H](c1cccnc1)C1CCC1 ZINC000360662972 381609474 /nfs/dbraw/zinc/60/94/74/381609474.db2.gz IOPMCUIWSUNGSQ-INIZCTEOSA-N 0 3 260.381 3.105 20 30 CGEDHN CC#CCN(CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000361446122 381748802 /nfs/dbraw/zinc/74/88/02/381748802.db2.gz PXKQUGRTXLEMQD-UHFFFAOYSA-N 0 3 294.398 3.158 20 30 CGEDHN CN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000361470536 381761012 /nfs/dbraw/zinc/76/10/12/381761012.db2.gz UEUOXCAHFQOPDD-OAHLLOKOSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCN1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000363210665 382193849 /nfs/dbraw/zinc/19/38/49/382193849.db2.gz PRSZZKXBFNZKTF-CABCVRRESA-N 0 3 294.439 3.284 20 30 CGEDHN CC(=O)N1CC[C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000363786173 382256318 /nfs/dbraw/zinc/25/63/18/382256318.db2.gz FIGGOWXLPMBPTD-ZOBUZTSGSA-N 0 3 297.402 3.156 20 30 CGEDHN N#CCCCCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000364344649 382269543 /nfs/dbraw/zinc/26/95/43/382269543.db2.gz ZANAVOSBXSSWBQ-KRWDZBQOSA-N 0 3 270.376 3.202 20 30 CGEDHN N#Cc1c(F)cccc1CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335382325 208326445 /nfs/dbraw/zinc/32/64/45/208326445.db2.gz YRTFJOYFJXQFIV-PBHICJAKSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@H]1[C@H](Nc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000288367627 197060557 /nfs/dbraw/zinc/06/05/57/197060557.db2.gz YGAYZGQSRHLETJ-WMLDXEAASA-N 0 3 292.386 3.028 20 30 CGEDHN CCSc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000193316146 262220447 /nfs/dbraw/zinc/22/04/47/262220447.db2.gz OPBVRIXOVUHYMG-OCCSQVGLSA-N 0 3 275.421 3.366 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000334672828 533236507 /nfs/dbraw/zinc/23/65/07/533236507.db2.gz MPVZGAKITKRFGW-NKWVEPMBSA-N 0 3 289.137 3.469 20 30 CGEDHN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccc(C#N)cc1F ZINC000427965345 533432949 /nfs/dbraw/zinc/43/29/49/533432949.db2.gz MIYTUNPPEWFVPQ-DGCLKSJQSA-N 0 3 276.355 3.306 20 30 CGEDHN CCCN(Cc1cc(C#N)n(C)c1)Cc1ccc(C#N)cc1 ZINC000191240213 130208498 /nfs/dbraw/zinc/20/84/98/130208498.db2.gz RBUHPPOGXWHNJB-UHFFFAOYSA-N 0 3 292.386 3.181 20 30 CGEDHN C#CCOc1ccccc1CNCCc1ccccc1F ZINC000019993423 391937015 /nfs/dbraw/zinc/93/70/15/391937015.db2.gz LSONBFNVPUCBQL-UHFFFAOYSA-N 0 3 283.346 3.170 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1nccs1)C(C)C ZINC000093396945 392238102 /nfs/dbraw/zinc/23/81/02/392238102.db2.gz ARDLTAKDFIYORM-CABCVRRESA-N 0 3 293.480 3.492 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](CC)c2ccc(Cl)cc2)C1=O ZINC000281987559 392269078 /nfs/dbraw/zinc/26/90/78/392269078.db2.gz MNKLCYGDKZIDPF-GJZGRUSLSA-N 0 3 292.810 3.168 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361839312 392340758 /nfs/dbraw/zinc/34/07/58/392340758.db2.gz HVUAXZQHJKEVCZ-JKSUJKDBSA-N 0 3 290.382 3.333 20 30 CGEDHN C=CCCCCCN(C)Cc1ccc(C(=O)OC)cn1 ZINC000286263554 392380249 /nfs/dbraw/zinc/38/02/49/392380249.db2.gz DPBWYXJXAZFQPR-UHFFFAOYSA-N 0 3 276.380 3.046 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000289693456 392428367 /nfs/dbraw/zinc/42/83/67/392428367.db2.gz IFFWRSSBUMTSAV-GXTWGEPZSA-N 0 3 263.381 3.061 20 30 CGEDHN C=C[C@H](CO)N[C@H]1CCCc2c3ccccc3sc21 ZINC000289941008 392436251 /nfs/dbraw/zinc/43/62/51/392436251.db2.gz VXUQYLBHHSDZLU-RISCZKNCSA-N 0 3 273.401 3.415 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CCC12CCOCC2 ZINC000367095190 392472507 /nfs/dbraw/zinc/47/25/07/392472507.db2.gz VVSCYVFPRZYQRP-QGZVFWFLSA-N 0 3 287.403 3.300 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000291784206 392482023 /nfs/dbraw/zinc/48/20/23/392482023.db2.gz VIKLAKPJBSUBMS-SJCJKPOMSA-N 0 3 298.411 3.412 20 30 CGEDHN CC#CCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000372074700 392581716 /nfs/dbraw/zinc/58/17/16/392581716.db2.gz YNAWOHVISDITOG-UHFFFAOYSA-N 0 3 260.768 3.238 20 30 CGEDHN C=CCCCCCN1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374014438 392667142 /nfs/dbraw/zinc/66/71/42/392667142.db2.gz NXXWPFXNRROFLV-ULQDDVLXSA-N 0 3 281.440 3.391 20 30 CGEDHN C=CCN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000374022387 392667494 /nfs/dbraw/zinc/66/74/94/392667494.db2.gz QITKOIFGSJQHQS-OAHLLOKOSA-N 0 3 294.439 3.284 20 30 CGEDHN C=CCC[C@H](O)CN1CCC(C)=C(c2ccco2)C1 ZINC000374512895 392680121 /nfs/dbraw/zinc/68/01/21/392680121.db2.gz IKTRHUAMJXOGAO-AWEZNQCLSA-N 0 3 261.365 3.086 20 30 CGEDHN C=C(C)[C@H](N[C@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000186450759 392781925 /nfs/dbraw/zinc/78/19/25/392781925.db2.gz AWAINWCZLPRYSL-WFASDCNBSA-N 0 3 267.319 3.351 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1ccc(C)cc1)C1CCCC1 ZINC000188378655 392798866 /nfs/dbraw/zinc/79/88/66/392798866.db2.gz ALFVGOGAJIWROS-SFHVURJKSA-N 0 3 286.419 3.118 20 30 CGEDHN CC(C#N)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000336354596 392850876 /nfs/dbraw/zinc/85/08/76/392850876.db2.gz DFLNWCLEUCIEFF-MFKMUULPSA-N 0 3 294.807 3.116 20 30 CGEDHN Cc1ccn(-c2ccccc2CN[C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000193026810 392868307 /nfs/dbraw/zinc/86/83/07/392868307.db2.gz FCSURBPRRRCACV-NVXWUHKLSA-N 0 3 294.402 3.353 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000338882424 392933753 /nfs/dbraw/zinc/93/37/53/392933753.db2.gz HSGJYDBUDIFHKX-QGZVFWFLSA-N 0 3 275.392 3.425 20 30 CGEDHN N#CCCOCCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000339064044 392943539 /nfs/dbraw/zinc/94/35/39/392943539.db2.gz OUPCMSGYKOFAGF-OAHLLOKOSA-N 0 3 278.783 3.311 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1ccccc1C(F)(F)F ZINC000339071563 392946072 /nfs/dbraw/zinc/94/60/72/392946072.db2.gz OLMWSHSYIXYAQE-LLVKDONJSA-N 0 3 286.297 3.286 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000411641783 392983453 /nfs/dbraw/zinc/98/34/53/392983453.db2.gz MHEGLECWAVFRJR-CQSZACIVSA-N 0 3 291.395 3.096 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412557801 393002695 /nfs/dbraw/zinc/00/26/95/393002695.db2.gz JPQMMCHXQMZOPO-INIZCTEOSA-N 0 3 278.371 3.428 20 30 CGEDHN N#CC1(CN2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000343144140 393019311 /nfs/dbraw/zinc/01/93/11/393019311.db2.gz RXHMYKYYSJNUDF-MRXNPFEDSA-N 0 3 254.377 3.387 20 30 CGEDHN CC(C)C[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000466673950 393046738 /nfs/dbraw/zinc/04/67/38/393046738.db2.gz VEYGTLXRHIVXNH-QGZVFWFLSA-N 0 3 299.418 3.397 20 30 CGEDHN Cc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000266408331 393180538 /nfs/dbraw/zinc/18/05/38/393180538.db2.gz FZPGRUZQIXCTPB-KDOFPFPSSA-N 0 3 280.371 3.251 20 30 CGEDHN C=CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355414793 393313279 /nfs/dbraw/zinc/31/32/79/393313279.db2.gz WWMLVIAOJLHMLZ-IYBDPMFKSA-N 0 3 286.419 3.074 20 30 CGEDHN CC[C@H](NCCOCC1CC1)c1ccc(C#N)cc1 ZINC000278832906 393327419 /nfs/dbraw/zinc/32/74/19/393327419.db2.gz UDAGIIOTLXOTKU-INIZCTEOSA-N 0 3 258.365 3.026 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCN1C ZINC000475516756 393406340 /nfs/dbraw/zinc/40/63/40/393406340.db2.gz OBENEVYQCOKBSO-PWSUYJOCSA-N 0 3 297.324 3.472 20 30 CGEDHN Cc1cc(CN(C)CCCOC(C)C)ccc1C#N ZINC000488418345 393505926 /nfs/dbraw/zinc/50/59/26/393505926.db2.gz NHAYWJIMOHGEAD-UHFFFAOYSA-N 0 3 260.381 3.114 20 30 CGEDHN N#CCC1(CNCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000430060072 393515461 /nfs/dbraw/zinc/51/54/61/393515461.db2.gz LDWVPAJHUDHCHN-UHFFFAOYSA-N 0 3 298.308 3.411 20 30 CGEDHN CSC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000430196340 393536545 /nfs/dbraw/zinc/53/65/45/393536545.db2.gz LWMOMGWCJLJNAX-NSHDSACASA-N 0 3 266.435 3.195 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](CC)N(CC)CC ZINC000359173994 393538963 /nfs/dbraw/zinc/53/89/63/393538963.db2.gz ZCLKMENWIQUTOG-HNNXBMFYSA-N 0 3 294.464 3.383 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cccc(C#N)c1F ZINC000360708673 393573967 /nfs/dbraw/zinc/57/39/67/393573967.db2.gz WHBAEAQBJCBILV-HZPDHXFCSA-N 0 3 290.382 3.381 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](CCO)CC2)c(Cl)c1 ZINC000421005218 393572120 /nfs/dbraw/zinc/57/21/20/393572120.db2.gz AAHBYINQDVUUMS-CYBMUJFWSA-N 0 3 292.810 3.196 20 30 CGEDHN C=CCC[C@H](C)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000361053207 393657562 /nfs/dbraw/zinc/65/75/62/393657562.db2.gz QEYOWZICFMIALN-WMLDXEAASA-N 0 3 274.408 3.020 20 30 CGEDHN Cc1cc(CN[C@@H](C)CC(F)(F)F)ccc1C#N ZINC000443987111 393779327 /nfs/dbraw/zinc/77/93/27/393779327.db2.gz JPUDCKUHVKPCQY-JTQLQIEISA-N 0 3 256.271 3.297 20 30 CGEDHN Cc1cc(CNCCOCCC(C)C)ccc1C#N ZINC000443988443 393780598 /nfs/dbraw/zinc/78/05/98/393780598.db2.gz OIUTWNPLMUMCFI-UHFFFAOYSA-N 0 3 260.381 3.019 20 30 CGEDHN C=CCCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000448025031 393868119 /nfs/dbraw/zinc/86/81/19/393868119.db2.gz BODKBEYEGONGKQ-INIZCTEOSA-N 0 3 253.349 3.122 20 30 CGEDHN COc1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc1C#N ZINC000449534977 393887275 /nfs/dbraw/zinc/88/72/75/393887275.db2.gz HBHJVCPEZFKURJ-WMZOPIPTSA-N 0 3 282.387 3.187 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccnn2CC(C)C)C1 ZINC000668492531 543019896 /nfs/dbraw/zinc/01/98/96/543019896.db2.gz CPIHYJBODCBLGD-HNNXBMFYSA-N 0 3 261.413 3.327 20 30 CGEDHN C=CCOc1ccc(CN(C)C2(CO)CCC2)cc1Cl ZINC000668801886 543063351 /nfs/dbraw/zinc/06/33/51/543063351.db2.gz BDXIKGARRNSKHM-UHFFFAOYSA-N 0 3 295.810 3.252 20 30 CGEDHN CCC#C[C@@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694679 543119060 /nfs/dbraw/zinc/11/90/60/543119060.db2.gz DCHVLGXFJFFXTC-HZPDHXFCSA-N 0 3 285.435 3.201 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)ccn1 ZINC000671278987 543165781 /nfs/dbraw/zinc/16/57/81/543165781.db2.gz SJZBYMKWIJCKQE-HNNXBMFYSA-N 0 3 287.322 3.428 20 30 CGEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccccc1C(C)C ZINC000046342241 397628542 /nfs/dbraw/zinc/62/85/42/397628542.db2.gz YXZILUGBRCRDJC-MRXNPFEDSA-N 0 3 291.435 3.448 20 30 CGEDHN COCC#CCN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000677820262 543468075 /nfs/dbraw/zinc/46/80/75/543468075.db2.gz KSLTWJZHVDXLEQ-MSOLQXFVSA-N 0 3 271.404 3.213 20 30 CGEDHN COCC#CCN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000677820264 543468351 /nfs/dbraw/zinc/46/83/51/543468351.db2.gz KSLTWJZHVDXLEQ-ROUUACIJSA-N 0 3 271.404 3.213 20 30 CGEDHN CCSc1ccc([C@@H](C)NCC#CCOC)cc1 ZINC000678765088 543553850 /nfs/dbraw/zinc/55/38/50/543553850.db2.gz XCHJEGPMNWHBMU-CYBMUJFWSA-N 0 3 263.406 3.099 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000678731010 543551642 /nfs/dbraw/zinc/55/16/42/543551642.db2.gz ILELDFBLBPISEP-SUMWQHHRSA-N 0 3 259.393 3.153 20 30 CGEDHN C[C@H](c1ccco1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000069067360 165051619 /nfs/dbraw/zinc/05/16/19/165051619.db2.gz GBKAEONKMAJUST-CYBMUJFWSA-N 0 3 297.358 3.173 20 30 CGEDHN Cc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000072950847 165073556 /nfs/dbraw/zinc/07/35/56/165073556.db2.gz WPAWMIJJLDGXOY-UHFFFAOYSA-N 0 3 266.344 3.035 20 30 CGEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)ccc1F ZINC000073460327 165078512 /nfs/dbraw/zinc/07/85/12/165078512.db2.gz DUSLKHQHQSPHHK-UHFFFAOYSA-N 0 3 284.334 3.174 20 30 CGEDHN C[C@@H](c1ccccn1)N(C)CCCOc1cccc(C#N)c1 ZINC000091703558 165270376 /nfs/dbraw/zinc/27/03/76/165270376.db2.gz DUFLVWIDVAFQDM-HNNXBMFYSA-N 0 3 295.386 3.415 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCOC[C@H](C2CCC2)C1 ZINC000292062450 287142436 /nfs/dbraw/zinc/14/24/36/287142436.db2.gz CRLFHETTWQNAEM-KBXCAEBGSA-N 0 3 284.403 3.368 20 30 CGEDHN C[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(C#N)cc1 ZINC000020122200 171003069 /nfs/dbraw/zinc/00/30/69/171003069.db2.gz RJRUBESZANQIHE-CZUORRHYSA-N 0 3 283.375 3.105 20 30 CGEDHN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000020260966 171118384 /nfs/dbraw/zinc/11/83/84/171118384.db2.gz RFOUDLYWDXNPOY-UHFFFAOYSA-N 0 3 293.370 3.019 20 30 CGEDHN C=C(C)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000679937970 543669252 /nfs/dbraw/zinc/66/92/52/543669252.db2.gz LLUXRSPKGMJSKT-KRWDZBQOSA-N 0 3 258.409 3.379 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000334852034 225337486 /nfs/dbraw/zinc/33/74/86/225337486.db2.gz JXSRKLJNDRALNS-KSSFIOAISA-N 0 3 290.366 3.472 20 30 CGEDHN C[C@@H]1CN(CCCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347586650 226209756 /nfs/dbraw/zinc/20/97/56/226209756.db2.gz VENGWJAHISCBTM-DLBZAZTESA-N 0 3 285.435 3.275 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc3ccccc3n2)C1 ZINC000336611840 227180966 /nfs/dbraw/zinc/18/09/66/227180966.db2.gz WHRBSPMJMCLSOQ-JSGCOSHPSA-N 0 3 251.333 3.017 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc(N)c1 ZINC000660225777 419104422 /nfs/dbraw/zinc/10/44/22/419104422.db2.gz REFSFYZNYYQANG-UHFFFAOYSA-N 0 3 256.349 3.093 20 30 CGEDHN C=CCCCCCNCc1cnnn1-c1ccccc1 ZINC000655826816 419109139 /nfs/dbraw/zinc/10/91/39/419109139.db2.gz ZKYYWLKHSDKQJK-UHFFFAOYSA-N 0 3 270.380 3.103 20 30 CGEDHN C=CCCn1cc(CN(C(C)C)C2CCCCC2)nn1 ZINC000653577135 419053205 /nfs/dbraw/zinc/05/32/05/419053205.db2.gz CWGQFTSTKWOBFA-UHFFFAOYSA-N 0 3 276.428 3.397 20 30 CGEDHN C=CCCn1cc(CN[C@@H](CCC)C(C)(C)C)nn1 ZINC000653731536 419076707 /nfs/dbraw/zinc/07/67/07/419076707.db2.gz DREZTFVXFSYNLZ-AWEZNQCLSA-N 0 3 264.417 3.159 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C(C)C)ccc1OC ZINC000653747820 419079153 /nfs/dbraw/zinc/07/91/53/419079153.db2.gz MIWLGJYFWKDMOL-CVEARBPZSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@H](N)CCC)nn1 ZINC000656457027 419173423 /nfs/dbraw/zinc/17/34/23/419173423.db2.gz CQCSOLGRVSTHHG-JKSUJKDBSA-N 0 3 284.407 3.438 20 30 CGEDHN C=CCCn1cc(CNC(CC(C)C)CC(C)C)nn1 ZINC000657351817 419257681 /nfs/dbraw/zinc/25/76/81/419257681.db2.gz GFWRMGGKXQMLDG-UHFFFAOYSA-N 0 3 278.444 3.405 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1F)C(C)C ZINC000661484640 419264369 /nfs/dbraw/zinc/26/43/69/419264369.db2.gz MIHOANGSKOKLEC-CJNGLKHVSA-N 0 3 265.372 3.440 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2ccccn2)no1 ZINC000661115680 419231625 /nfs/dbraw/zinc/23/16/25/419231625.db2.gz DKWUFAJWGOMAKZ-UONOGXRCSA-N 0 3 298.390 3.356 20 30 CGEDHN C=CC[C@H](CO)NCc1cc2cccc(CC)c2o1 ZINC000657435425 419277573 /nfs/dbraw/zinc/27/75/73/419277573.db2.gz NOLHGROLVMQZJH-CQSZACIVSA-N 0 3 259.349 3.022 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2cccs2)cc1 ZINC000657436337 419278959 /nfs/dbraw/zinc/27/89/59/419278959.db2.gz SRIYXMHAENHLTP-OAHLLOKOSA-N 0 3 273.401 3.442 20 30 CGEDHN C=CCN(CC(=O)N(CC(F)(F)F)C(C)C)C(C)(C)C ZINC000661756165 419294921 /nfs/dbraw/zinc/29/49/21/419294921.db2.gz DVOIMBGPFRPEBE-UHFFFAOYSA-N 0 3 294.361 3.072 20 30 CGEDHN C=CCN(Cc1cc(F)cc2c1OCOC2)C(C)(C)C ZINC000661755057 419295039 /nfs/dbraw/zinc/29/50/39/419295039.db2.gz HPNHCUFEQZSCIU-UHFFFAOYSA-N 0 3 279.355 3.479 20 30 CGEDHN C=CCCNCc1sc(C)cc1Br ZINC000657583225 419310050 /nfs/dbraw/zinc/31/00/50/419310050.db2.gz GYONFMDXUFZWAV-UHFFFAOYSA-N 0 3 260.200 3.485 20 30 CGEDHN N#Cc1ccc(CN2CCC(OC3CCC3)CC2)cc1 ZINC000418094627 228031450 /nfs/dbraw/zinc/03/14/50/228031450.db2.gz SDPZMOJFZBNRJG-UHFFFAOYSA-N 0 3 270.376 3.092 20 30 CGEDHN C=CCOc1cccc(CNC[C@H]2CCC[C@@H](C)O2)c1 ZINC000657666297 419323476 /nfs/dbraw/zinc/32/34/76/419323476.db2.gz SIJOWYSGMZJGIA-RHSMWYFYSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@]1(C)CC1(F)F ZINC000657668905 419324682 /nfs/dbraw/zinc/32/46/82/419324682.db2.gz JMXQLSMXCKTKPZ-CQSZACIVSA-N 0 3 267.319 3.386 20 30 CGEDHN C=CCOc1ccc(CNC[C@@]2(C)CC2(F)F)cc1OC ZINC000657670131 419326018 /nfs/dbraw/zinc/32/60/18/419326018.db2.gz RZDQCNGEAPOZKM-OAHLLOKOSA-N 0 3 297.345 3.395 20 30 CGEDHN C=CCC1(NCc2csc(COC)n2)CCCC1 ZINC000657702443 419329702 /nfs/dbraw/zinc/32/97/02/419329702.db2.gz JPHIBOLNNPHEPU-UHFFFAOYSA-N 0 3 266.410 3.268 20 30 CGEDHN C=CCC1(NCc2cnnn2Cc2ccccc2)CCCC1 ZINC000657703481 419330252 /nfs/dbraw/zinc/33/02/52/419330252.db2.gz ZASUIKCBGLVGJW-UHFFFAOYSA-N 0 3 296.418 3.305 20 30 CGEDHN C=CCOCCCNCc1csc(Br)c1 ZINC000657658479 419320884 /nfs/dbraw/zinc/32/08/84/419320884.db2.gz ZITKGFDZHDPMTC-UHFFFAOYSA-N 0 3 290.226 3.193 20 30 CGEDHN Cc1cccc(CN(Cc2ccccn2)C(=O)C(C)C#N)c1 ZINC000353774379 228152732 /nfs/dbraw/zinc/15/27/32/228152732.db2.gz CAPFGURZHMNNEL-OAHLLOKOSA-N 0 3 293.370 3.079 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000662083069 419333238 /nfs/dbraw/zinc/33/32/38/419333238.db2.gz ZLVRAVUHJPJDOO-RYQLBKOJSA-N 0 3 298.430 3.217 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CC)c1ccccc1 ZINC000662081119 419333410 /nfs/dbraw/zinc/33/34/10/419333410.db2.gz NHUQGVNZCTXCAX-CALCHBBNSA-N 0 3 284.403 3.223 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000662081639 419333666 /nfs/dbraw/zinc/33/36/66/419333666.db2.gz PUJVJCNPGMPRMU-RYQLBKOJSA-N 0 3 298.430 3.183 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C(C)C)C1CCCC1 ZINC000662084652 419334398 /nfs/dbraw/zinc/33/43/98/419334398.db2.gz ULHMEMYRTSBJPM-CALCHBBNSA-N 0 3 290.451 3.349 20 30 CGEDHN C=CCCC(C)(C)NCc1cn(-c2ccccc2C)nn1 ZINC000657805155 419361571 /nfs/dbraw/zinc/36/15/71/419361571.db2.gz MAHKJHRAAHKLFK-UHFFFAOYSA-N 0 3 284.407 3.410 20 30 CGEDHN C=CCC1(NC(=O)C[C@H]2NCc3ccccc32)CCCC1 ZINC000662889251 419502343 /nfs/dbraw/zinc/50/23/43/419502343.db2.gz UVEOLDNQPNWSLN-MRXNPFEDSA-N 0 3 284.403 3.226 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000658027418 419502662 /nfs/dbraw/zinc/50/26/62/419502662.db2.gz NATYSVRQJRZWGD-CHWSQXEVSA-N 0 3 262.401 3.153 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000658032799 419511105 /nfs/dbraw/zinc/51/11/05/419511105.db2.gz WXMRAXKTQYTHHX-KBPBESRZSA-N 0 3 297.406 3.091 20 30 CGEDHN C#CCN[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180608189 260106826 /nfs/dbraw/zinc/10/68/26/260106826.db2.gz RSTJCSBDDJNNRF-CYBMUJFWSA-N 0 3 296.345 3.362 20 30 CGEDHN C=CCC[C@@H](NC(=O)[C@H](CC)N(C)C)c1ccccc1 ZINC000298712630 260161546 /nfs/dbraw/zinc/16/15/46/260161546.db2.gz WFYRBAHTKIMVCL-CVEARBPZSA-N 0 3 274.408 3.150 20 30 CGEDHN COc1ccccc1C[C@H](C)N(C)CCC(C)(C)C#N ZINC000088194819 260229435 /nfs/dbraw/zinc/22/94/35/260229435.db2.gz VWHXZVHLYZXMFW-AWEZNQCLSA-N 0 3 274.408 3.498 20 30 CGEDHN CC[C@@](C)(NCCCSCC#N)c1nccs1 ZINC000072484685 260276643 /nfs/dbraw/zinc/27/66/43/260276643.db2.gz NFJNTOUXCTVZCO-GFCCVEGCSA-N 0 3 269.439 3.005 20 30 CGEDHN COc1cccc(/C=N/Cc2cccc(CN(C)C)c2)c1O ZINC000075533369 260290821 /nfs/dbraw/zinc/29/08/21/260290821.db2.gz QGUJTTWCLGSKOH-XDHOZWIPSA-N 0 3 298.386 3.082 20 30 CGEDHN C=C(CC)CNCc1cnc(N(CC)CC)s1 ZINC000313489288 260298538 /nfs/dbraw/zinc/29/85/38/260298538.db2.gz RPXVJIPQQJSWTL-UHFFFAOYSA-N 0 3 253.415 3.045 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Br)cc2)C1 ZINC000335630306 261446782 /nfs/dbraw/zinc/44/67/82/261446782.db2.gz FVCXOZZFCRKRCF-YPMHNXCESA-N 0 3 279.181 3.231 20 30 CGEDHN Cc1cc([O-])c(C[NH2+]Cc2ccc(OCC#N)cc2)cc1C ZINC000174357686 261568537 /nfs/dbraw/zinc/56/85/37/261568537.db2.gz OJSPROVIPOKEOW-UHFFFAOYSA-N 0 3 296.370 3.201 20 30 CGEDHN CC(C)C(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000192627413 262206592 /nfs/dbraw/zinc/20/65/92/262206592.db2.gz ZFOYMGRLLHACBO-DOTOQJQBSA-N 0 3 299.418 3.453 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC2(c3cccc(F)c3)CC2)C1 ZINC000193092740 262215886 /nfs/dbraw/zinc/21/58/86/262215886.db2.gz YWJIBPMDJGHXNV-IUODEOHRSA-N 0 3 258.340 3.487 20 30 CGEDHN Cn1cc(CN[C@@H]2CCC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000193278061 262219501 /nfs/dbraw/zinc/21/95/01/262219501.db2.gz JGIQQXHBNXVOLY-WMLDXEAASA-N 0 3 294.402 3.259 20 30 CGEDHN CC(C)(CCC#N)CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365626567 262376257 /nfs/dbraw/zinc/37/62/57/262376257.db2.gz XQPWKVDCUABTKW-CABCVRRESA-N 0 3 276.424 3.350 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000338011219 262498424 /nfs/dbraw/zinc/49/84/24/262498424.db2.gz IDRFZULVMRNNLC-NVBFEUDRSA-N 0 3 274.339 3.103 20 30 CGEDHN COc1cccc([C@@H]2C[C@H](C)CN2CCOCCC#N)c1 ZINC000339084193 262595797 /nfs/dbraw/zinc/59/57/97/262595797.db2.gz NTWHIQYEXMWAPE-YOEHRIQHSA-N 0 3 288.391 3.008 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1cc(C#N)ccn1)C(C)C ZINC000339970975 262700142 /nfs/dbraw/zinc/70/01/42/262700142.db2.gz WHKSCSRJKHYZJO-INIZCTEOSA-N 0 3 284.407 3.064 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc([N+](=O)[O-])c1 ZINC000414171334 262813471 /nfs/dbraw/zinc/81/34/71/262813471.db2.gz UMUIOCALNDKYDD-LLVKDONJSA-N 0 3 261.325 3.185 20 30 CGEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000274247859 263022328 /nfs/dbraw/zinc/02/23/28/263022328.db2.gz YAGBYRRSPVDNID-FMKPAKJESA-N 0 3 270.376 3.409 20 30 CGEDHN C[C@H](CCC#N)N1CCC(N(C)c2ccccc2)CC1 ZINC000276316867 263035937 /nfs/dbraw/zinc/03/59/37/263035937.db2.gz NRPCTRRZYRJKRV-OAHLLOKOSA-N 0 3 271.408 3.279 20 30 CGEDHN C[C@H](CCC#N)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000276342672 263036290 /nfs/dbraw/zinc/03/62/90/263036290.db2.gz UMBIXNIRIXTSHE-CYBMUJFWSA-N 0 3 282.391 3.435 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000278213630 263045808 /nfs/dbraw/zinc/04/58/08/263045808.db2.gz IGDYOHCLXCLQDQ-CMPLNLGQSA-N 0 3 250.292 3.137 20 30 CGEDHN N#Cc1cccc(C2(N[C@@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000278712512 263049915 /nfs/dbraw/zinc/04/99/15/263049915.db2.gz LQFLXXLNLMJEKF-GDBMZVCRSA-N 0 3 265.360 3.219 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3c2cccc3O)C1 ZINC000278762866 263050640 /nfs/dbraw/zinc/05/06/40/263050640.db2.gz OTZWDXZNYFLAOW-TYNCELHUSA-N 0 3 256.349 3.051 20 30 CGEDHN CCc1nc(CNCC2CCC(C#N)CC2)cs1 ZINC000282384015 263076348 /nfs/dbraw/zinc/07/63/48/263076348.db2.gz OOGCHLIHHOALOK-UHFFFAOYSA-N 0 3 263.410 3.125 20 30 CGEDHN C#CCN(CCCC(C)(C)C#N)Cc1ccccc1 ZINC000285799336 263095790 /nfs/dbraw/zinc/09/57/90/263095790.db2.gz UIYYDYYAAAHOFG-UHFFFAOYSA-N 0 3 254.377 3.452 20 30 CGEDHN CC(C)N1CCCC[C@H]1CN(CCC#N)Cc1ccco1 ZINC000340281102 263104322 /nfs/dbraw/zinc/10/43/22/263104322.db2.gz AIZKDIJYEMPMON-INIZCTEOSA-N 0 3 289.423 3.258 20 30 CGEDHN CC[C@@](C)(C#N)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000288546238 263104927 /nfs/dbraw/zinc/10/49/27/263104927.db2.gz IISATLFSFZRZGH-SFHVURJKSA-N 0 3 299.418 3.469 20 30 CGEDHN N#CCCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292360484 263131461 /nfs/dbraw/zinc/13/14/61/263131461.db2.gz YSLINRJPKYHDCL-XJKSGUPXSA-N 0 3 276.355 3.187 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000293817665 263149948 /nfs/dbraw/zinc/14/99/48/263149948.db2.gz OUHAEUKWJBGAHG-ZFWWWQNUSA-N 0 3 254.377 3.472 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(C(F)(F)F)c2)C1 ZINC000295034687 263171245 /nfs/dbraw/zinc/17/12/45/263171245.db2.gz MABBGHXPQSTQKV-PWSUYJOCSA-N 0 3 283.297 3.272 20 30 CGEDHN C[C@H](NCCOCCC#N)c1cccc(C2CC2)c1 ZINC000295447430 263177695 /nfs/dbraw/zinc/17/76/95/263177695.db2.gz PFSFRCQWJRGDNV-ZDUSSCGKSA-N 0 3 258.365 3.145 20 30 CGEDHN C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)[C@H](C)O1 ZINC000295696043 263181274 /nfs/dbraw/zinc/18/12/74/263181274.db2.gz LZDXJHSUAFAWBO-CLWVCHIJSA-N 0 3 258.365 3.187 20 30 CGEDHN N#CCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296673919 263195347 /nfs/dbraw/zinc/19/53/47/263195347.db2.gz GAWLOPNVROMLSH-INIZCTEOSA-N 0 3 294.354 3.072 20 30 CGEDHN C=CCN(CCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000298305305 263217370 /nfs/dbraw/zinc/21/73/70/263217370.db2.gz YHFYUPHXDAUDTC-DLBZAZTESA-N 0 3 254.377 3.409 20 30 CGEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000299566024 263247725 /nfs/dbraw/zinc/24/77/25/263247725.db2.gz GZZOLKAYPLUPDA-QWHCGFSZSA-N 0 3 285.391 3.378 20 30 CGEDHN C=CC[C@@H](CO)CNCc1c(Cl)cccc1Cl ZINC000341313936 263333962 /nfs/dbraw/zinc/33/39/62/263333962.db2.gz KSPAWVIIRUCEJL-SNVBAGLBSA-N 0 3 274.191 3.268 20 30 CGEDHN C#CCOc1ccccc1CNC[C@@H](C)c1c(C)noc1C ZINC000128433507 264290489 /nfs/dbraw/zinc/29/04/89/264290489.db2.gz SPNHDNUUSRGIJQ-CYBMUJFWSA-N 0 3 298.386 3.197 20 30 CGEDHN C=CCC[C@@H](O)CN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000129528300 264323392 /nfs/dbraw/zinc/32/33/92/264323392.db2.gz VGHOFARZSGAICO-DJIMGWMZSA-N 0 3 291.460 3.492 20 30 CGEDHN C=CCC[C@@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000286158967 264576409 /nfs/dbraw/zinc/57/64/09/264576409.db2.gz PGRFWLXSBVAESG-XJKSGUPXSA-N 0 3 283.375 3.128 20 30 CGEDHN C#Cc1ccc(CN2CCC(c3ccncc3)CC2)cc1 ZINC000289902849 264745915 /nfs/dbraw/zinc/74/59/15/264745915.db2.gz UMISSLLMIRKETJ-UHFFFAOYSA-N 0 3 276.383 3.443 20 30 CGEDHN C=CCOCCN1CCC(c2cccc(OC)c2)CC1 ZINC000293025119 264915782 /nfs/dbraw/zinc/91/57/82/264915782.db2.gz IPFANYOPTWERTG-UHFFFAOYSA-N 0 3 275.392 3.077 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)cc1F ZINC000192061407 270077160 /nfs/dbraw/zinc/07/71/60/270077160.db2.gz SJTFSSALHPQUII-GJZGRUSLSA-N 0 3 258.340 3.319 20 30 CGEDHN N#Cc1ccc(OCCNCc2sccc2Cl)cc1 ZINC000193127910 270078881 /nfs/dbraw/zinc/07/88/81/270078881.db2.gz HLHKQIZOIJRDIE-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN COCC[C@H](c1ccccc1)N1CCC(C)(C#N)CC1 ZINC000356443499 266114728 /nfs/dbraw/zinc/11/47/28/266114728.db2.gz DVVDJYXHOIFLCX-MRXNPFEDSA-N 0 3 272.392 3.390 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1OCCN1CCC(C)(C#N)CC1 ZINC000356451441 266116805 /nfs/dbraw/zinc/11/68/05/266116805.db2.gz GUUQGPUREIKYSX-CABCVRRESA-N 0 3 264.413 3.207 20 30 CGEDHN CC[C@H](NCCOCC(F)(F)F)c1ccc(C#N)cc1 ZINC000447543293 267222361 /nfs/dbraw/zinc/22/23/61/267222361.db2.gz RLQSSQAJVYZSJC-ZDUSSCGKSA-N 0 3 286.297 3.178 20 30 CGEDHN CCCCCCCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000119125941 267302572 /nfs/dbraw/zinc/30/25/72/267302572.db2.gz KVUYRFLARRVQMN-HOTGVXAUSA-N 0 3 280.456 3.290 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCCOC(C)(C)C1 ZINC000370733388 267341692 /nfs/dbraw/zinc/34/16/92/267341692.db2.gz DAAMWWDOSIQNID-UHFFFAOYSA-N 0 3 286.419 3.489 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000376047682 267933526 /nfs/dbraw/zinc/93/35/26/267933526.db2.gz VURWFVQDLDYNPI-YWPYICTPSA-N 0 3 274.339 3.321 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)CO2 ZINC000377082939 268045274 /nfs/dbraw/zinc/04/52/74/268045274.db2.gz MAWZOMNZGSWOMV-UMVBOHGHSA-N 0 3 256.349 3.101 20 30 CGEDHN N#Cc1c(F)cccc1NC[C@@H]1CCN1C1CCCC1 ZINC000528212853 268165489 /nfs/dbraw/zinc/16/54/89/268165489.db2.gz YCOKRPZDRBDORF-ZDUSSCGKSA-N 0 3 273.355 3.126 20 30 CGEDHN COc1ccc(C)cc1CCNCc1ccc(C#N)cc1F ZINC000532588245 270217804 /nfs/dbraw/zinc/21/78/04/270217804.db2.gz LDRMNJLVIYRUFF-UHFFFAOYSA-N 0 3 298.361 3.347 20 30 CGEDHN CC1(C)C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000417963629 273588888 /nfs/dbraw/zinc/58/88/88/273588888.db2.gz DRQAVBBVDZMEKN-AWEZNQCLSA-N 0 3 297.320 3.214 20 30 CGEDHN C[C@@H](N[C@@H]1COc2ccc(F)cc2C1)c1cccc(C#N)c1 ZINC000290478792 274259597 /nfs/dbraw/zinc/25/95/97/274259597.db2.gz XGNZLIWGOJPYSN-PXAZEXFGSA-N 0 3 296.345 3.352 20 30 CGEDHN C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1cccc(C#N)c1 ZINC000360791930 274259725 /nfs/dbraw/zinc/25/97/25/274259725.db2.gz IWMSTIWTHUUIFY-AUUYWEPGSA-N 0 3 291.398 3.396 20 30 CGEDHN Cc1ncsc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334319465 274863635 /nfs/dbraw/zinc/86/36/35/274863635.db2.gz UFQUYXXPANOKEF-HNNXBMFYSA-N 0 3 283.400 3.490 20 30 CGEDHN CC(C)CN(CC(=O)Nc1cccc(C#N)c1)CC(C)C ZINC000026646896 275567577 /nfs/dbraw/zinc/56/75/77/275567577.db2.gz GEHDQNHYPAZMFR-UHFFFAOYSA-N 0 3 287.407 3.111 20 30 CGEDHN N#Cc1ccc2ncc(CNC/C=C\c3ccccc3)n2c1 ZINC000255884610 287881848 /nfs/dbraw/zinc/88/18/48/287881848.db2.gz ZEDWGVBGHIBLEX-DAXSKMNVSA-N 0 3 288.354 3.009 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000335154761 278182132 /nfs/dbraw/zinc/18/21/32/278182132.db2.gz DIPXKWUCONTZSY-ZDUSSCGKSA-N 0 3 276.339 3.355 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1cccc(C#N)c1 ZINC000037304890 278371089 /nfs/dbraw/zinc/37/10/89/278371089.db2.gz CWLQLGBRZXGXGS-MLGOLLRUSA-N 0 3 280.375 3.020 20 30 CGEDHN CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000417361506 280973615 /nfs/dbraw/zinc/97/36/15/280973615.db2.gz IXKJQXQTHDTFEH-ROUUACIJSA-N 0 3 294.402 3.410 20 30 CGEDHN C[C@H](NCCCCn1ccnc1)c1ccc(C#N)cc1F ZINC000543762051 288819334 /nfs/dbraw/zinc/81/93/34/288819334.db2.gz UWBYGUXLRCOARG-ZDUSSCGKSA-N 0 3 286.354 3.025 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000349311799 294823404 /nfs/dbraw/zinc/82/34/04/294823404.db2.gz KLDPIKVIYGJRTB-SUNKGSAMSA-N 0 3 276.767 3.445 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000320352346 328018436 /nfs/dbraw/zinc/01/84/36/328018436.db2.gz CTHLZZHSLNHVJH-JSGCOSHPSA-N 0 3 259.349 3.411 20 30 CGEDHN CC[C@@H](CC#N)NCCCC(=O)Nc1c(C)cccc1C ZINC000563367110 328059802 /nfs/dbraw/zinc/05/98/02/328059802.db2.gz MKRIGCLJISIWPZ-HNNXBMFYSA-N 0 3 287.407 3.304 20 30 CGEDHN COC(=O)[C@@]1(C)CCCN(CCC2(C#N)CCCCC2)C1 ZINC000412060567 328101848 /nfs/dbraw/zinc/10/18/48/328101848.db2.gz GESACTJXCKDIBO-INIZCTEOSA-N 0 3 292.423 3.126 20 30 CGEDHN N#CCOc1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000264568617 328160349 /nfs/dbraw/zinc/16/03/49/328160349.db2.gz QGTARSJDDAHNEL-UHFFFAOYSA-N 0 3 278.355 3.368 20 30 CGEDHN COc1cc(CN(C)CCCC(C)(C)C#N)cc(OC)c1 ZINC000266945152 328170907 /nfs/dbraw/zinc/17/09/07/328170907.db2.gz XRQCBRORBGIPRT-UHFFFAOYSA-N 0 3 290.407 3.466 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@H](O)c2c(F)cccc2Cl)C1 ZINC000274207782 328209560 /nfs/dbraw/zinc/20/95/60/328209560.db2.gz MXTMCHJECIBNQY-SUNKGSAMSA-N 0 3 296.773 3.184 20 30 CGEDHN COc1cc(C)c([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000274678783 328212990 /nfs/dbraw/zinc/21/29/90/328212990.db2.gz ZSMGSSVWKRKTAU-IHRRRGAJSA-N 0 3 288.391 3.355 20 30 CGEDHN CC(C)(NCCOCCC#N)c1ccc(Cl)cc1 ZINC000292805740 328273698 /nfs/dbraw/zinc/27/36/98/328273698.db2.gz MSJNWZJNKAGKKK-UHFFFAOYSA-N 0 3 266.772 3.095 20 30 CGEDHN CC/C=C/CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000294909937 328283791 /nfs/dbraw/zinc/28/37/91/328283791.db2.gz AAPDHXDWSFQVLK-GQCTYLIASA-N 0 3 288.391 3.434 20 30 CGEDHN CCC[C@@H](C)[C@H](CO)NCc1ccc(C#N)cc1Cl ZINC000565050263 322057500 /nfs/dbraw/zinc/05/75/00/322057500.db2.gz ZKQBTSKPJUCFRN-ABAIWWIYSA-N 0 3 280.799 3.098 20 30 CGEDHN CC[C@H](O)CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000567685951 322173489 /nfs/dbraw/zinc/17/34/89/322173489.db2.gz RMFQBENJOSKYMS-KRWDZBQOSA-N 0 3 280.371 3.086 20 30 CGEDHN CN(Cc1ccc(C#N)cn1)C1CCC(C)(C)CC1 ZINC000567911702 322182768 /nfs/dbraw/zinc/18/27/68/322182768.db2.gz YTXHAZRQPCBOJP-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H](N[C@@H]1COc2cc(F)ccc2C1)c1cccc(C#N)c1 ZINC000572856969 322358429 /nfs/dbraw/zinc/35/84/29/322358429.db2.gz JPTDCTAXWMSYNY-SJCJKPOMSA-N 0 3 296.345 3.352 20 30 CGEDHN C[C@@H](N[C@H]1COc2cc(F)ccc2C1)c1cccc(C#N)c1 ZINC000572856970 322358693 /nfs/dbraw/zinc/35/86/93/322358693.db2.gz JPTDCTAXWMSYNY-SJKOYZFVSA-N 0 3 296.345 3.352 20 30 CGEDHN CCC1(CC)CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000573207241 322375910 /nfs/dbraw/zinc/37/59/10/322375910.db2.gz DRXPRGIDEVGKFK-UHFFFAOYSA-N 0 3 297.406 3.003 20 30 CGEDHN CCCOc1ccc([C@H](C)NCCCC#N)cc1OC ZINC000341653870 328414356 /nfs/dbraw/zinc/41/43/56/328414356.db2.gz FKVONYYGEMCYGU-ZDUSSCGKSA-N 0 3 276.380 3.438 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C)cc1Cl ZINC000563722767 328495842 /nfs/dbraw/zinc/49/58/42/328495842.db2.gz IVFOAWRRJOAFAL-KGLIPLIRSA-N 0 3 251.757 3.082 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000568602422 327004577 /nfs/dbraw/zinc/00/45/77/327004577.db2.gz ZQVDNDDJOHHZBA-ZIAGYGMSSA-N 0 3 280.412 3.122 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000068918496 327016889 /nfs/dbraw/zinc/01/68/89/327016889.db2.gz WKWAQFVUILOZSI-UHFFFAOYSA-N 0 3 298.430 3.402 20 30 CGEDHN CN(CCC(C)(C)C#N)Cc1cc(C(C)(C)C)[nH]n1 ZINC000558117269 327074748 /nfs/dbraw/zinc/07/47/48/327074748.db2.gz RSHMTDMTBNRIBU-UHFFFAOYSA-N 0 3 262.401 3.079 20 30 CGEDHN C=C(C)[C@H](N[C@@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1 ZINC000248549613 327495866 /nfs/dbraw/zinc/49/58/66/327495866.db2.gz HLPCDNFWSBFAOS-OAGGEKHMSA-N 0 3 281.346 3.475 20 30 CGEDHN CCN(CC)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000185778658 329331448 /nfs/dbraw/zinc/33/14/48/329331448.db2.gz ZGTFRICKDWVBKV-HOCLYGCPSA-N 0 3 286.423 3.100 20 30 CGEDHN C[C@H]1CCCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000187952495 329361813 /nfs/dbraw/zinc/36/18/13/329361813.db2.gz HOBKDYSWBIROHZ-INIZCTEOSA-N 0 3 299.418 3.055 20 30 CGEDHN C=C(C)[C@H](NC[C@@](C)(O)CC)c1ccc(F)c(F)c1 ZINC000189237894 329376982 /nfs/dbraw/zinc/37/69/82/329376982.db2.gz FKEKLWVWMCXVIN-GJZGRUSLSA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)CN2CCCCCC2)CCC1 ZINC000190383710 329395845 /nfs/dbraw/zinc/39/58/45/329395845.db2.gz JUHZSKFNGJZKGA-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCC1(C(=O)N[C@H](C)CN2CCCCCC2)CCC1 ZINC000190383726 329395878 /nfs/dbraw/zinc/39/58/78/329395878.db2.gz JUHZSKFNGJZKGA-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN CCc1nc(C)c(CN2CCC(CCC#N)CC2)o1 ZINC000584527606 329512591 /nfs/dbraw/zinc/51/25/91/329512591.db2.gz WFOKXRODLZQDLM-UHFFFAOYSA-N 0 3 261.369 3.061 20 30 CGEDHN C=CCCCCCNCc1nc2ccccc2n1C ZINC000521460984 329611043 /nfs/dbraw/zinc/61/10/43/329611043.db2.gz QXWBLGSQNSRWDS-UHFFFAOYSA-N 0 3 257.381 3.409 20 30 CGEDHN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H](CC)O1 ZINC000421397883 329821077 /nfs/dbraw/zinc/82/10/77/329821077.db2.gz YEULGDFDKIAABB-ZIAGYGMSSA-N 0 3 252.402 3.206 20 30 CGEDHN C=CCC(C)(C)CNCc1csc([N+](=O)[O-])c1 ZINC000293014169 330061875 /nfs/dbraw/zinc/06/18/75/330061875.db2.gz QAZHKMIXMHUVAJ-UHFFFAOYSA-N 0 3 254.355 3.348 20 30 CGEDHN C[C@H](Cc1ccc(Br)cc1)NC[C@H](C)C#N ZINC000191479492 330144435 /nfs/dbraw/zinc/14/44/35/330144435.db2.gz SXYXUTUYDIWCEI-GHMZBOCLSA-N 0 3 281.197 3.129 20 30 CGEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc2ccccc21 ZINC000424066542 330219340 /nfs/dbraw/zinc/21/93/40/330219340.db2.gz NOLPIWDACWOEJY-CXAGYDPISA-N 0 3 295.386 3.038 20 30 CGEDHN C=CCCCN(C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000532978495 330323585 /nfs/dbraw/zinc/32/35/85/330323585.db2.gz WTNIDGDLGYYNHF-OAHLLOKOSA-N 0 3 292.810 3.343 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccco3)s2)C1 ZINC000424200855 330326570 /nfs/dbraw/zinc/32/65/70/330326570.db2.gz RKCMZRJGKNXQEU-MNOVXSKESA-N 0 3 273.361 3.185 20 30 CGEDHN C=CCCCN(C)Cc1cnc(OC)c(Cl)c1 ZINC000533099064 330334677 /nfs/dbraw/zinc/33/46/77/330334677.db2.gz WSUGQIFTAOTWIR-UHFFFAOYSA-N 0 3 254.761 3.142 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CC[C@@](C)(c3ccccc3)C2)nn1 ZINC000424297358 330336321 /nfs/dbraw/zinc/33/63/21/330336321.db2.gz QOBJMRJKSOIBFA-SJLPKXTDSA-N 0 3 296.418 3.064 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1N(C)C ZINC000424330901 330342320 /nfs/dbraw/zinc/34/23/20/330342320.db2.gz RJJSJRILCDXOEM-SGMGOOAPSA-N 0 3 275.371 3.235 20 30 CGEDHN CCc1nc(C)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424335010 330343277 /nfs/dbraw/zinc/34/32/77/330343277.db2.gz WCJDIKXQYYBLNB-ADEWGFFLSA-N 0 3 263.410 3.357 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)o1)C(C)C ZINC000046049484 330351064 /nfs/dbraw/zinc/35/10/64/330351064.db2.gz RDBJFLIVSDDDER-HNNXBMFYSA-N 0 3 290.407 3.016 20 30 CGEDHN C=CCCCN(C)Cc1cc(C(=O)OC)sc1C ZINC000089128942 330380716 /nfs/dbraw/zinc/38/07/16/330380716.db2.gz XTCSETUUYOHXQT-UHFFFAOYSA-N 0 3 267.394 3.241 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000120137271 330385447 /nfs/dbraw/zinc/38/54/47/330385447.db2.gz PGDCEWONMOLSMY-AEFFLSMTSA-N 0 3 298.430 3.065 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc(OC)c(OC)c1 ZINC000430733189 330571840 /nfs/dbraw/zinc/57/18/40/330571840.db2.gz DJQHHCJKVFHZJN-CQSZACIVSA-N 0 3 288.391 3.438 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000442714570 330780495 /nfs/dbraw/zinc/78/04/95/330780495.db2.gz KCDBFBOLNLMCDJ-WBVHZDCISA-N 0 3 298.434 3.244 20 30 CGEDHN CSc1cc(C)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442781331 330782674 /nfs/dbraw/zinc/78/26/74/330782674.db2.gz ILQOPUGRRZOMNI-JSGCOSHPSA-N 0 3 260.406 3.499 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCOc3c(F)cccc32)C1 ZINC000442839740 330786288 /nfs/dbraw/zinc/78/62/88/330786288.db2.gz UPPREFGMDPGUTL-XUJVJEKNSA-N 0 3 274.339 3.321 20 30 CGEDHN Cc1c(CN[C@@H]2CCC[C@@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000446796075 330854364 /nfs/dbraw/zinc/85/43/64/330854364.db2.gz KDCKGFPLZSEFIA-TZMCWYRMSA-N 0 3 273.336 3.075 20 30 CGEDHN N#CCCCNCc1cnc(-c2c(F)cccc2F)s1 ZINC000449236493 330908317 /nfs/dbraw/zinc/90/83/17/330908317.db2.gz XYQZNXLBWITDJB-UHFFFAOYSA-N 0 3 293.342 3.482 20 30 CGEDHN CCc1nc(C)c(CNC2CCC(C)(C#N)CC2)o1 ZINC000449341465 330916278 /nfs/dbraw/zinc/91/62/78/330916278.db2.gz UBUPOBODKSGVAQ-UHFFFAOYSA-N 0 3 261.369 3.108 20 30 CGEDHN COc1ccc(F)c(CN[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000449444764 330926012 /nfs/dbraw/zinc/92/60/12/330926012.db2.gz DGYLUNJVZUMJFF-AAEUAGOBSA-N 0 3 262.328 3.006 20 30 CGEDHN C=CC(C)(C)CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000449483593 330929683 /nfs/dbraw/zinc/92/96/83/330929683.db2.gz BCLUEZAXUZVPOW-UHFFFAOYSA-N 0 3 278.352 3.295 20 30 CGEDHN C=CC(C)(C)CNCc1cnc([C@H]2CCCO2)s1 ZINC000449483801 330929745 /nfs/dbraw/zinc/92/97/45/330929745.db2.gz CIFHSMHYJOBECY-GFCCVEGCSA-N 0 3 266.410 3.296 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cscc1C(F)(F)F ZINC000449518393 330933182 /nfs/dbraw/zinc/93/31/82/330933182.db2.gz JJHZRYFMEPUWIP-MNOVXSKESA-N 0 3 277.311 3.200 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccccc1Br ZINC000449549544 330935951 /nfs/dbraw/zinc/93/59/51/330935951.db2.gz YWVRYZDFMVNFQV-KGLIPLIRSA-N 0 3 296.208 3.272 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)CN2CCCCC2)CCCC1 ZINC000449555345 330936365 /nfs/dbraw/zinc/93/63/65/330936365.db2.gz RDNNDKSQVANZQB-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN CCn1ccnc1[C@H](C)NC1CCC(C)(C#N)CC1 ZINC000449567728 330937482 /nfs/dbraw/zinc/93/74/82/330937482.db2.gz YDCWPEORQPSTTF-OPFPJEHXSA-N 0 3 260.385 3.026 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCC2)C12CCCCC2 ZINC000450846346 331002527 /nfs/dbraw/zinc/00/25/27/331002527.db2.gz MCGATHVFEJUFBJ-LSDHHAIUSA-N 0 3 276.424 3.398 20 30 CGEDHN C[C@]1(F)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000452578071 331069529 /nfs/dbraw/zinc/06/95/29/331069529.db2.gz NVSLCJBMBXJCGT-RDJZCZTQSA-N 0 3 288.366 3.110 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OC ZINC000453346429 331120016 /nfs/dbraw/zinc/12/00/16/331120016.db2.gz ICKWYAHMXSXXNU-DGCLKSJQSA-N 0 3 283.799 3.326 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000453376689 331124853 /nfs/dbraw/zinc/12/48/53/331124853.db2.gz XZDGNKMETYGCLI-XHSDSOJGSA-N 0 3 290.363 3.369 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](CC)c1cc(C)ccc1OC ZINC000453380286 331125499 /nfs/dbraw/zinc/12/54/99/331125499.db2.gz ZHQWOVYVNNPFBM-GOEBONIOSA-N 0 3 277.408 3.371 20 30 CGEDHN C=C(CC)CN[C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000453379463 331125575 /nfs/dbraw/zinc/12/55/75/331125575.db2.gz WJKJNMLQCMIWNN-KRWDZBQOSA-N 0 3 272.392 3.036 20 30 CGEDHN C=CCCCC(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458201510 331244991 /nfs/dbraw/zinc/24/49/91/331244991.db2.gz VCQQBUZXCLGPIQ-UHFFFAOYSA-N 0 3 290.407 3.230 20 30 CGEDHN C=CCC1(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCCCC1 ZINC000458440742 331251439 /nfs/dbraw/zinc/25/14/39/331251439.db2.gz MYJQVNUKDXFEHB-LSDHHAIUSA-N 0 3 293.455 3.047 20 30 CGEDHN C=C(C)CNCc1c(C)nc2scc(C3CC3)n12 ZINC000459504122 331285195 /nfs/dbraw/zinc/28/51/95/331285195.db2.gz HDLXYNYQMITQLA-UHFFFAOYSA-N 0 3 261.394 3.247 20 30 CGEDHN C=CCNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459517980 331285752 /nfs/dbraw/zinc/28/57/52/331285752.db2.gz WFFOBKNQZRBHCJ-UHFFFAOYSA-N 0 3 282.391 3.336 20 30 CGEDHN COc1ccc(-c2n[nH]cc2CNCC(C)(C)CC#N)cc1 ZINC000459661154 331292784 /nfs/dbraw/zinc/29/27/84/331292784.db2.gz AAQUXELHMIUJLU-UHFFFAOYSA-N 0 3 298.390 3.115 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCCCO2 ZINC000459726362 331296065 /nfs/dbraw/zinc/29/60/65/331296065.db2.gz FDSUDUFHPJTMSR-ZDUSSCGKSA-N 0 3 288.391 3.438 20 30 CGEDHN C=CCC[C@@H](CC)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462878388 331333878 /nfs/dbraw/zinc/33/38/78/331333878.db2.gz RSCKGOOUQDHHOE-SJLPKXTDSA-N 0 3 288.435 3.410 20 30 CGEDHN CO[C@@H]1CCCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000483685056 331881754 /nfs/dbraw/zinc/88/17/54/331881754.db2.gz NESHRRACRVIJLP-JKSUJKDBSA-N 0 3 277.795 3.239 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000489283374 332045272 /nfs/dbraw/zinc/04/52/72/332045272.db2.gz AJBKGMCLUMHYRO-HOCLYGCPSA-N 0 3 270.376 3.160 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cccc(OC)c1 ZINC000489431330 332051738 /nfs/dbraw/zinc/05/17/38/332051738.db2.gz DXZPVIYOMHBJEP-HNNXBMFYSA-N 0 3 288.391 3.064 20 30 CGEDHN C#C[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1 ZINC000491372394 332198990 /nfs/dbraw/zinc/19/89/90/332198990.db2.gz JBYMGTXWAMHGJR-CVEARBPZSA-N 0 3 273.351 3.191 20 30 CGEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000491701983 332296311 /nfs/dbraw/zinc/29/63/11/332296311.db2.gz GRVOEMGEDJJUFL-LSDHHAIUSA-N 0 3 272.392 3.022 20 30 CGEDHN C#CCN(CCc1cscn1)[C@@H]1CCc2ccccc21 ZINC000491713782 332304583 /nfs/dbraw/zinc/30/45/83/332304583.db2.gz DLISIXLLPMCOHD-QGZVFWFLSA-N 0 3 282.412 3.308 20 30 CGEDHN CC#CCCNCc1cc(Cl)c(OCC)c(OC)c1 ZINC000499214988 332582688 /nfs/dbraw/zinc/58/26/88/332582688.db2.gz PMUBWOMWQSTWFX-UHFFFAOYSA-N 0 3 281.783 3.250 20 30 CGEDHN CC(C)(C#N)CCN1CCCN(c2ccccc2F)CC1 ZINC000513376888 333016362 /nfs/dbraw/zinc/01/63/62/333016362.db2.gz QZAHYQXQHTXIIB-UHFFFAOYSA-N 0 3 289.398 3.278 20 30 CGEDHN C=CCN1CCC(NC(=O)CC2(C)CCCCC2)CC1 ZINC000178791291 333077855 /nfs/dbraw/zinc/07/78/55/333077855.db2.gz WXASJRMFIIAGFN-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCCN(C)Cc1ccccc1 ZINC000189926455 333200553 /nfs/dbraw/zinc/20/05/53/333200553.db2.gz MOPHAUQJXFAIGT-GOSISDBHSA-N 0 3 288.435 3.227 20 30 CGEDHN CCCN(CC#Cc1ccccc1)C[C@H]1CCCCO1 ZINC000192101811 333229662 /nfs/dbraw/zinc/22/96/62/333229662.db2.gz SUTVRZWQPKAZFF-GOSISDBHSA-N 0 3 271.404 3.319 20 30 CGEDHN C=CCCCCCN(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000193426000 333249826 /nfs/dbraw/zinc/24/98/26/333249826.db2.gz OYWBAZKZWYTUGQ-HNNXBMFYSA-N 0 3 287.469 3.022 20 30 CGEDHN CCC(CC)CN(CCC#N)CC1CCOCC1 ZINC000173552226 335136181 /nfs/dbraw/zinc/13/61/81/335136181.db2.gz LPOXDAHGCLVNQM-UHFFFAOYSA-N 0 3 252.402 3.065 20 30 CGEDHN C=CC[C@H](CO)CNCc1cc(C)c(C)cc1OC(F)F ZINC000538124298 333575769 /nfs/dbraw/zinc/57/57/69/333575769.db2.gz LECRLIYHFDHHAT-ZDUSSCGKSA-N 0 3 299.361 3.179 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CCCO)c2ccccc2)C1 ZINC000248747921 334315713 /nfs/dbraw/zinc/31/57/13/334315713.db2.gz BKICDQNNIANIJD-PVAVHDDUSA-N 0 3 272.392 3.172 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000249116886 334327997 /nfs/dbraw/zinc/32/79/97/334327997.db2.gz WLTSRMRCLQIFLF-SQNIBIBYSA-N 0 3 281.403 3.431 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090450918 334361271 /nfs/dbraw/zinc/36/12/71/334361271.db2.gz FVPLOUNMJQCYFD-CYBMUJFWSA-N 0 3 278.352 3.147 20 30 CGEDHN COc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1O ZINC000573090132 334907210 /nfs/dbraw/zinc/90/72/10/334907210.db2.gz RUUSOZQBAPKPTE-ZDUSSCGKSA-N 0 3 296.370 3.318 20 30 CGEDHN C=C(C)CN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000576812774 335250220 /nfs/dbraw/zinc/25/02/20/335250220.db2.gz LYTWSWYFTDYQSZ-UHFFFAOYSA-N 0 3 266.772 3.154 20 30 CGEDHN C[C@@]1(Cc2cccc(F)c2)CCCN1CCOCCC#N ZINC000577219153 335324940 /nfs/dbraw/zinc/32/49/40/335324940.db2.gz VAYNPEJXQLGEKY-KRWDZBQOSA-N 0 3 290.382 3.153 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCC(C)(C)C#N ZINC000345710700 335331642 /nfs/dbraw/zinc/33/16/42/335331642.db2.gz KXLQZMIOMKCAKW-MRXNPFEDSA-N 0 3 285.435 3.133 20 30 CGEDHN CCOc1ccccc1CCNCc1ccc(C#N)s1 ZINC000176964492 335348175 /nfs/dbraw/zinc/34/81/75/335348175.db2.gz FWRVURPQVMLKHR-UHFFFAOYSA-N 0 3 286.400 3.351 20 30 CGEDHN CCCCO[C@@H]1C[C@H](NCc2ccc(C#N)o2)C1(C)C ZINC000176985882 335352006 /nfs/dbraw/zinc/35/20/06/335352006.db2.gz VANFVACPHBXSCA-LSDHHAIUSA-N 0 3 276.380 3.225 20 30 CGEDHN Cn1cc(CN[C@H]2CCCCc3ccccc32)cc1C#N ZINC000577559977 335368334 /nfs/dbraw/zinc/36/83/34/335368334.db2.gz UGSCQKCPZGYEAR-SFHVURJKSA-N 0 3 279.387 3.454 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000181119014 335751066 /nfs/dbraw/zinc/75/10/66/335751066.db2.gz XTKIUJPKJXPSMH-HNNXBMFYSA-N 0 3 293.455 3.001 20 30 CGEDHN C=C(C)CCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000386872064 336181280 /nfs/dbraw/zinc/18/12/80/336181280.db2.gz KXPGQBXWQYTYCQ-GFCCVEGCSA-N 0 3 261.365 3.074 20 30 CGEDHN C[C@H](N[C@H](CCO)C(C)(C)C)c1ccc(C#N)cc1F ZINC000355745336 533996088 /nfs/dbraw/zinc/99/60/88/533996088.db2.gz ZSBQFCHTFXJEPE-XHDPSFHLSA-N 0 3 278.371 3.145 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000184352949 518922925 /nfs/dbraw/zinc/92/29/25/518922925.db2.gz BLBNUSKNRHPFGA-RYUDHWBXSA-N 0 3 288.416 3.243 20 30 CGEDHN CCOc1ccc(O)c(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000131198214 521142074 /nfs/dbraw/zinc/14/20/74/521142074.db2.gz XIKCNINGQZCLCD-UHFFFAOYSA-N 0 3 296.370 3.295 20 30 CGEDHN N#CCCCNCc1cnc(-c2ccsc2)s1 ZINC000344317432 534612690 /nfs/dbraw/zinc/61/26/90/534612690.db2.gz AISLZDOQUKAYOJ-UHFFFAOYSA-N 0 3 263.391 3.265 20 30 CGEDHN N#Cc1ccc(F)c(CN2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000177575325 534785550 /nfs/dbraw/zinc/78/55/50/534785550.db2.gz OXCVPAHRPJTTQK-ZIAGYGMSSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@@H](N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000157743772 525645633 /nfs/dbraw/zinc/64/56/33/525645633.db2.gz FTVZJJKJCPQJLW-ZLENFMNRSA-N 0 3 288.366 3.306 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](CC)CC(F)(F)F ZINC000354551723 526538689 /nfs/dbraw/zinc/53/86/89/526538689.db2.gz YDTUYUAPJSFUSY-NEPJUHHUSA-N 0 3 294.361 3.120 20 30 CGEDHN C=C(C)COCCNCc1cc(O)cc(C(F)(F)F)c1 ZINC000352804313 526654294 /nfs/dbraw/zinc/65/42/94/526654294.db2.gz WPNCBHSTOJNZTJ-UHFFFAOYSA-N 0 3 289.297 3.093 20 30 CGEDHN N#Cc1cccc(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291514563 526703789 /nfs/dbraw/zinc/70/37/89/526703789.db2.gz IPLNMHVBFTXLFC-MRXNPFEDSA-N 0 3 252.361 3.323 20 30 CGEDHN C#CCCOc1ccc(CNCc2cccs2)cc1 ZINC000113313809 526744871 /nfs/dbraw/zinc/74/48/71/526744871.db2.gz VLJZEBHQJSWQOT-UHFFFAOYSA-N 0 3 271.385 3.440 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](CCO)c2ccccc2)c1 ZINC000344454614 526903545 /nfs/dbraw/zinc/90/35/45/526903545.db2.gz DOSZPMRNNPUJLS-IBGZPJMESA-N 0 3 297.398 3.465 20 30 CGEDHN C=CCOc1cccc(CNC[C@@H](OC)C(C)C)c1 ZINC000344726448 526903795 /nfs/dbraw/zinc/90/37/95/526903795.db2.gz IKSLDEXIMOPLLO-MRXNPFEDSA-N 0 3 263.381 3.012 20 30 CGEDHN C=CCOc1ccccc1CN(C[C@@H](C)OC)C(C)C ZINC000353819733 526928827 /nfs/dbraw/zinc/92/88/27/526928827.db2.gz UOZQHSPULLGGFI-OAHLLOKOSA-N 0 3 277.408 3.497 20 30 CGEDHN C=CC1CCN(CCC(=O)c2ccc(OC)cc2)CC1 ZINC000352028241 526978947 /nfs/dbraw/zinc/97/89/47/526978947.db2.gz POOWPLCYRPKGFS-UHFFFAOYSA-N 0 3 273.376 3.166 20 30 CGEDHN CC(C)(CCC#N)CN1CCc2ccc(O)cc2C1 ZINC000351963503 526985361 /nfs/dbraw/zinc/98/53/61/526985361.db2.gz DXRGRCCFCOCOPI-UHFFFAOYSA-N 0 3 258.365 3.080 20 30 CGEDHN C#CCOc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000113320807 527104782 /nfs/dbraw/zinc/10/47/82/527104782.db2.gz GHEFXHSJFDFZSZ-QGZVFWFLSA-N 0 3 281.355 3.459 20 30 CGEDHN C=CCC[C@@H](NCCN1CC=CCC1)c1ccco1 ZINC000353608925 527447563 /nfs/dbraw/zinc/44/75/63/527447563.db2.gz SGWKOHLUTXHNJW-OAHLLOKOSA-N 0 3 260.381 3.138 20 30 CGEDHN C=CCC[C@H](N[C@H](C)CC[S@@](C)=O)c1ccco1 ZINC000353633144 527488002 /nfs/dbraw/zinc/48/80/02/527488002.db2.gz RQPAQZWHDAHWQK-FHSNZYRGSA-N 0 3 269.410 3.034 20 30 CGEDHN C/C(=C/c1ccccc1)CN(C)Cc1cc(C#N)n(C)c1 ZINC000426372793 527504243 /nfs/dbraw/zinc/50/42/43/527504243.db2.gz PNXAWUNILHRIHW-DHDCSXOGSA-N 0 3 279.387 3.432 20 30 CGEDHN CC(C)COc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354467223 528168519 /nfs/dbraw/zinc/16/85/19/528168519.db2.gz KWHLIFWPIHKBIM-OAHLLOKOSA-N 0 3 295.342 3.001 20 30 CGEDHN CCOC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000437107237 528432039 /nfs/dbraw/zinc/43/20/39/528432039.db2.gz YQPHPTWEJAEXTP-NSHDSACASA-N 0 3 264.344 3.163 20 30 CGEDHN CCN(CCOCC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000159315358 528564670 /nfs/dbraw/zinc/56/46/70/528564670.db2.gz PCLWXARZKPUVFK-CQSZACIVSA-N 0 3 272.392 3.368 20 30 CGEDHN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)C ZINC000441189025 528890742 /nfs/dbraw/zinc/89/07/42/528890742.db2.gz MYURALWMMPIOFZ-UHFFFAOYSA-N 0 3 284.363 3.086 20 30 CGEDHN CN(C)Cc1cccc(NCc2cc(C#N)cs2)c1 ZINC000093686106 536040232 /nfs/dbraw/zinc/04/02/32/536040232.db2.gz FWDOTGZQGVWUCF-UHFFFAOYSA-N 0 3 271.389 3.293 20 30 CGEDHN C#CCN(Cc1cccc(NC(C)=O)c1)C1CCCCC1 ZINC000725797219 572405820 /nfs/dbraw/zinc/40/58/20/572405820.db2.gz GSSANQPVXSIKBL-UHFFFAOYSA-N 0 3 284.403 3.413 20 30 CGEDHN C#CCSCCNCc1ccc(-c2ccccc2)o1 ZINC000740014121 572428694 /nfs/dbraw/zinc/42/86/94/572428694.db2.gz CXVNTJXQAXTHOB-UHFFFAOYSA-N 0 3 271.385 3.403 20 30 CGEDHN C=C(C[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000725848921 572441309 /nfs/dbraw/zinc/44/13/09/572441309.db2.gz CVVDZQCTRYINDU-UHFFFAOYSA-N 0 3 269.344 3.204 20 30 CGEDHN C#CCN(CCOCC1CC1)[C@H]1CCc2ccccc21 ZINC000741776703 572526282 /nfs/dbraw/zinc/52/62/82/572526282.db2.gz ONYZKUYINSLHGG-SFHVURJKSA-N 0 3 269.388 3.036 20 30 CGEDHN C=CC[C@H](NCc1cccc(C#N)c1)c1ccncc1 ZINC000734510182 572661642 /nfs/dbraw/zinc/66/16/42/572661642.db2.gz SOOSDIZOLIRQIA-KRWDZBQOSA-N 0 3 263.344 3.360 20 30 CGEDHN C#CCN(C[C@H](O)c1c(F)cccc1F)C1CCCCC1 ZINC000744213846 572723956 /nfs/dbraw/zinc/72/39/56/572723956.db2.gz OBFQEHFLTRDYQU-INIZCTEOSA-N 0 3 293.357 3.266 20 30 CGEDHN C#CCN(CC)Cc1cccc(OCC(F)(F)F)c1 ZINC000746456958 572871885 /nfs/dbraw/zinc/87/18/85/572871885.db2.gz TZFRUCXJQIBAAV-UHFFFAOYSA-N 0 3 271.282 3.083 20 30 CGEDHN C=CCN(Cc1cnc2c(cnn2C(C)C)c1)C(C)C ZINC000749905041 573055420 /nfs/dbraw/zinc/05/54/20/573055420.db2.gz UMQBRMBHWJFEPH-UHFFFAOYSA-N 0 3 272.396 3.409 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823888620 609249495 /nfs/dbraw/zinc/24/94/95/609249495.db2.gz RXCNBEKLYFYQBB-OLZOCXBDSA-N 0 3 297.406 3.046 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823888620 609249496 /nfs/dbraw/zinc/24/94/96/609249496.db2.gz RXCNBEKLYFYQBB-OLZOCXBDSA-N 0 3 297.406 3.046 20 30 CGEDHN C=C(C)CCN1CCCN(C(=O)c2sccc2F)CC1 ZINC000981103788 613256523 /nfs/dbraw/zinc/25/65/23/613256523.db2.gz IXSGRNOGKKCTHQ-UHFFFAOYSA-N 0 3 296.411 3.001 20 30 CGEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000964809321 613264107 /nfs/dbraw/zinc/26/41/07/613264107.db2.gz WDBNEUSBRPKSQR-KGLIPLIRSA-N 0 3 292.448 3.155 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885152 613325116 /nfs/dbraw/zinc/32/51/16/613325116.db2.gz CRTMELKDFWCZOB-RHSMWYFYSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977518166 613338616 /nfs/dbraw/zinc/33/86/16/613338616.db2.gz XWSAAOPHBDNZIQ-MRXNPFEDSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972846467 613341560 /nfs/dbraw/zinc/34/15/60/613341560.db2.gz QJWFRCDLFLYUTN-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975027041 613341685 /nfs/dbraw/zinc/34/16/85/613341685.db2.gz NOQIZAWNLWFYRI-GJZGRUSLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000972483362 613618985 /nfs/dbraw/zinc/61/89/85/613618985.db2.gz SKSJHWOEBVWIFT-DAYGRLMNSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2sccc2C(C)C)C1 ZINC000980465056 613640839 /nfs/dbraw/zinc/64/08/39/613640839.db2.gz FEGQGMWZAJJWJD-ZDUSSCGKSA-N 0 3 292.448 3.204 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)C3(C)CCCCC3)C2)C1 ZINC000981982406 613677716 /nfs/dbraw/zinc/67/77/16/613677716.db2.gz UDIXBIYGDOQMLF-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC000969014374 613685246 /nfs/dbraw/zinc/68/52/46/613685246.db2.gz ZHTKQAITFLIHQD-GPANFISMSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccsc1C ZINC000968849809 613686991 /nfs/dbraw/zinc/68/69/91/613686991.db2.gz HDLHATBKFWJKFQ-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)C[C@H]1C ZINC000947776055 613750297 /nfs/dbraw/zinc/75/02/97/613750297.db2.gz SZLKVIXCVFAIRW-ZYHUDNBSSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2)C[C@@H]1C ZINC000947961558 613753922 /nfs/dbraw/zinc/75/39/22/613753922.db2.gz CHUOORYPLVBWHK-SWLSCSKDSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@H](C)C1 ZINC000943332839 613760184 /nfs/dbraw/zinc/76/01/84/613760184.db2.gz FNHVIDXJWKNTJD-ZYHUDNBSSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@H](C)CC)cc1 ZINC000962813244 613842182 /nfs/dbraw/zinc/84/21/82/613842182.db2.gz OMCQEZXNGSDWGF-ZSGPHXLJSA-N 0 3 298.430 3.046 20 30 CGEDHN CC(C)(C)NCc1cc(C#N)ccc1Br ZINC000308861910 618484696 /nfs/dbraw/zinc/48/46/96/618484696.db2.gz RQIQXWCSNQLJPB-UHFFFAOYSA-N 0 3 267.170 3.209 20 30 CGEDHN C=CCCCCCN(C)Cc1c2c(nn1C)CCC2 ZINC000892068530 618517183 /nfs/dbraw/zinc/51/71/83/618517183.db2.gz ASTLHTMPMBBGBG-UHFFFAOYSA-N 0 3 261.413 3.087 20 30 CGEDHN N#CC(C(=O)CCCOc1ccc(F)cc1)c1ccccn1 ZINC000121986869 618676934 /nfs/dbraw/zinc/67/69/34/618676934.db2.gz VWXSMJOZYSLJKQ-OAHLLOKOSA-N 0 3 298.317 3.256 20 30 CGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCF)cc1 ZINC000892501477 618816301 /nfs/dbraw/zinc/81/63/01/618816301.db2.gz OYEVRNZPCJVRCY-BXUZGUMPSA-N 0 3 290.338 3.207 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cc(OC)ccn1 ZINC000926686730 618822065 /nfs/dbraw/zinc/82/20/65/618822065.db2.gz ZOMQPKHWHNFDTQ-LBPRGKRZSA-N 0 3 266.410 3.050 20 30 CGEDHN CC1(C)CO[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000892553278 618861402 /nfs/dbraw/zinc/86/14/02/618861402.db2.gz LGFVOKLHSZJPMS-VXGBXAGGSA-N 0 3 298.342 3.209 20 30 CGEDHN C[C@@H](C[C@H](O)c1cccs1)NCC#Cc1ccccc1 ZINC000893268347 619054626 /nfs/dbraw/zinc/05/46/26/619054626.db2.gz VEQJKROFLLKYDK-HOCLYGCPSA-N 0 3 285.412 3.201 20 30 CGEDHN C[C@H](C[C@H](O)c1cccs1)NCC#Cc1ccccc1 ZINC000893268348 619054695 /nfs/dbraw/zinc/05/46/95/619054695.db2.gz VEQJKROFLLKYDK-ZBFHGGJFSA-N 0 3 285.412 3.201 20 30 CGEDHN CCCCCCCCN1CCN(C(C)=O)CC1(C)C ZINC000775561241 619076601 /nfs/dbraw/zinc/07/66/01/619076601.db2.gz ASFVDHYLKUIPDU-UHFFFAOYSA-N 0 3 268.445 3.290 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C)c1nn(CC)nc1C ZINC000925711453 619157399 /nfs/dbraw/zinc/15/73/99/619157399.db2.gz ZESRQQVEROVUSB-RYUDHWBXSA-N 0 3 250.390 3.002 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000893607784 619236246 /nfs/dbraw/zinc/23/62/46/619236246.db2.gz ZUNCRWDMAPQMOV-JHJVBQTASA-N 0 3 252.402 3.250 20 30 CGEDHN CC(C)n1cc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)cn1 ZINC000925045468 619509124 /nfs/dbraw/zinc/50/91/24/619509124.db2.gz KYCBCYJJZDQZCE-QWHCGFSZSA-N 0 3 262.401 3.443 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000894469595 619546648 /nfs/dbraw/zinc/54/66/48/619546648.db2.gz NHHZFRUCSQDBHH-ZIAGYGMSSA-N 0 3 250.386 3.150 20 30 CGEDHN C=CCC1(CNCc2nccn2C2CC2)CCCC1 ZINC000894753768 619623044 /nfs/dbraw/zinc/62/30/44/619623044.db2.gz LUIOKLBDQIAEBC-UHFFFAOYSA-N 0 3 259.397 3.444 20 30 CGEDHN C=C(Br)CN[C@H](C)Cc1ccsc1 ZINC000049182056 619707530 /nfs/dbraw/zinc/70/75/30/619707530.db2.gz GZHQHMWVXWJNCD-SECBINFHSA-N 0 3 260.200 3.177 20 30 CGEDHN COc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000237222485 619731394 /nfs/dbraw/zinc/73/13/94/619731394.db2.gz WJQKCTIRZKKHSA-CQSZACIVSA-N 0 3 296.370 3.276 20 30 CGEDHN CC(C)(CNCc1cccc(F)c1C#N)CC(F)F ZINC000895535509 619844370 /nfs/dbraw/zinc/84/43/70/619844370.db2.gz SOFFLXNQOGEDKU-UHFFFAOYSA-N 0 3 270.298 3.468 20 30 CGEDHN COc1cccc([C@H](CNCC#Cc2ccccc2)OC)c1 ZINC000895561697 619850363 /nfs/dbraw/zinc/85/03/63/619850363.db2.gz RYVLOWCZBIJQSL-IBGZPJMESA-N 0 3 295.382 3.024 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000840708396 620094324 /nfs/dbraw/zinc/09/43/24/620094324.db2.gz FXAQZPDZQDIHME-VZKYXMTBSA-N 0 3 288.391 3.001 20 30 CGEDHN N#CCC1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000797603799 620219188 /nfs/dbraw/zinc/21/91/88/620219188.db2.gz AEBMYONMGGLZTR-UHFFFAOYSA-N 0 3 279.727 3.032 20 30 CGEDHN C=CC(C)(C)CC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000888139685 620307640 /nfs/dbraw/zinc/30/76/40/620307640.db2.gz YMOWQBDJPSCPGG-UHFFFAOYSA-N 0 3 290.407 3.298 20 30 CGEDHN CCS[C@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000067600443 620350003 /nfs/dbraw/zinc/35/00/03/620350003.db2.gz HPCHCKYYHDRZNW-PWSUYJOCSA-N 0 3 282.434 3.406 20 30 CGEDHN CC1(C)CCC[C@@H](CNCc2ccc(C#N)cc2F)O1 ZINC000898048289 620464639 /nfs/dbraw/zinc/46/46/39/620464639.db2.gz IAJDAQFFEQEZJZ-AWEZNQCLSA-N 0 3 276.355 3.135 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cc(C(F)(F)F)n(C)n2)C1 ZINC000898020697 620467598 /nfs/dbraw/zinc/46/75/98/620467598.db2.gz FIYMJCLSNUJZQR-MNOVXSKESA-N 0 3 287.329 3.273 20 30 CGEDHN C=CC(C)(C)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000898459981 620590012 /nfs/dbraw/zinc/59/00/12/620590012.db2.gz AKLJTJQUIKVQTC-UHFFFAOYSA-N 0 3 273.355 3.125 20 30 CGEDHN C=CCCCN(CC)Cn1ccc(-c2nccs2)n1 ZINC000902669959 621396381 /nfs/dbraw/zinc/39/63/81/621396381.db2.gz VQRPMUAEVSPIDH-UHFFFAOYSA-N 0 3 276.409 3.252 20 30 CGEDHN CC[C@@H](N[C@@H]1CCCc2c1cnn2C)c1cccc(C#N)c1 ZINC000902742707 621421454 /nfs/dbraw/zinc/42/14/54/621421454.db2.gz WCYRVCBJSZEJHO-IAGOWNOFSA-N 0 3 294.402 3.410 20 30 CGEDHN C[C@H](NCCc1cccc(F)c1F)c1cc(C#N)ccn1 ZINC000902862924 621479019 /nfs/dbraw/zinc/47/90/19/621479019.db2.gz RIFGZTKMCFJSSO-NSHDSACASA-N 0 3 287.313 3.125 20 30 CGEDHN C[C@@H](NCC1(C#N)CCCC1)[C@@H]1COc2ccccc2C1 ZINC000903108414 621581354 /nfs/dbraw/zinc/58/13/54/621581354.db2.gz BZURYBHUXPTLBZ-ZBFHGGJFSA-N 0 3 284.403 3.300 20 30 CGEDHN C=CCC[C@@H](NCC1(C#N)CC1)[C@]1(C)CCCCO1 ZINC000903109598 621582210 /nfs/dbraw/zinc/58/22/10/621582210.db2.gz SFYUDYGKSLTTCX-CABCVRRESA-N 0 3 262.397 3.174 20 30 CGEDHN N#CC1(CN[C@@H]2CCCCc3ccccc3C2)CC1 ZINC000903108957 621582690 /nfs/dbraw/zinc/58/26/90/621582690.db2.gz JBGWEELGKJBHPE-MRXNPFEDSA-N 0 3 254.377 3.217 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903094322 621584754 /nfs/dbraw/zinc/58/47/54/621584754.db2.gz MQDIBOKUOXLUKN-CMPLNLGQSA-N 0 3 288.313 3.078 20 30 CGEDHN CO[C@H]1CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000903127453 621591153 /nfs/dbraw/zinc/59/11/53/621591153.db2.gz YDBHVLRYEMKEOX-GJZGRUSLSA-N 0 3 297.320 3.214 20 30 CGEDHN CC(C)C(C(C)C)[C@@H](C)NCc1nc(C#N)cs1 ZINC000903262274 621647734 /nfs/dbraw/zinc/64/77/34/621647734.db2.gz CITYTMHMJLTRMD-LLVKDONJSA-N 0 3 265.426 3.421 20 30 CGEDHN C=CCC[C@H](N[C@H]1COC[C@H]1C1CC1)c1ccco1 ZINC000903438598 621747479 /nfs/dbraw/zinc/74/74/79/621747479.db2.gz VTZHPILWASMOSJ-KKUMJFAQSA-N 0 3 261.365 3.302 20 30 CGEDHN CCSc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905085506 622033994 /nfs/dbraw/zinc/03/39/94/622033994.db2.gz NVJIAOXJGSBVCU-GARZTLJTSA-N 0 3 285.372 3.231 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](N)C[C@@H](C)CC ZINC000912080880 622598153 /nfs/dbraw/zinc/59/81/53/622598153.db2.gz BDVXPIDNOKIYIN-JSGCOSHPSA-N 0 3 280.437 3.026 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2ccccc2)CC1 ZINC000912214782 622619207 /nfs/dbraw/zinc/61/92/07/622619207.db2.gz OSBDWJXQUAONNS-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000912396615 622646982 /nfs/dbraw/zinc/64/69/82/622646982.db2.gz QRYHHJNTEKKBCR-SJORKVTESA-N 0 3 286.419 3.342 20 30 CGEDHN CCCCCCCCCC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912922913 622710683 /nfs/dbraw/zinc/71/06/83/622710683.db2.gz XKZRMKDPLWRSFB-INIZCTEOSA-N 0 3 280.456 3.434 20 30 CGEDHN N#CC(C(=O)C=Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000046439486 622970311 /nfs/dbraw/zinc/97/03/11/622970311.db2.gz PRDZGBOTLRLORJ-GUOLPTJISA-N 0 3 277.283 3.046 20 30 CGEDHN C#CCOc1ccc(CNCc2ccsc2)cc1 ZINC000172113805 623220263 /nfs/dbraw/zinc/22/02/63/623220263.db2.gz UAHVVLHHPZMQQT-UHFFFAOYSA-N 0 3 257.358 3.050 20 30 CGEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000173969057 623350638 /nfs/dbraw/zinc/35/06/38/623350638.db2.gz WBZBUHHHDSVGIE-DOMZBBRYSA-N 0 3 286.375 3.333 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992438956 623562192 /nfs/dbraw/zinc/56/21/92/623562192.db2.gz MQVLUYWMXZJLSQ-SZVBFZGTSA-N 0 3 298.430 3.089 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992979404 623768193 /nfs/dbraw/zinc/76/81/93/623768193.db2.gz DMKQBNKWPGLZLB-WBVHZDCISA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993051278 623806780 /nfs/dbraw/zinc/80/67/80/623806780.db2.gz RWWQGHPBSWLZLN-BBRMVZONSA-N 0 3 290.407 3.055 20 30 CGEDHN C=CCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993191147 623907448 /nfs/dbraw/zinc/90/74/48/623907448.db2.gz AFUZMUUKSWXBEP-GDBMZVCRSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2sccc2F)[C@@H]1C ZINC000993263913 623997907 /nfs/dbraw/zinc/99/79/07/623997907.db2.gz LCGQVOHNOQJGQC-AAEUAGOBSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CC=C(C)C)[C@@H]2C)C1 ZINC000993782604 624061939 /nfs/dbraw/zinc/06/19/39/624061939.db2.gz ADUZOJJRMLSKJT-HZPDHXFCSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994251572 624130306 /nfs/dbraw/zinc/13/03/06/624130306.db2.gz NAHVRPLKYGGWMB-QAETUUGQSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CC[C@H](C)N[C@@H]1COCc2cccc(Cl)c21 ZINC000925430277 624201663 /nfs/dbraw/zinc/20/16/63/624201663.db2.gz LINHPXDCDLAHKF-GXFFZTMASA-N 0 3 251.757 3.466 20 30 CGEDHN C[C@H](CNc1snc(Cl)c1C#N)N1CCCC[C@@H]1C ZINC000917065053 624232499 /nfs/dbraw/zinc/23/24/99/624232499.db2.gz RAJLKGBZVZZGCL-VHSXEESVSA-N 0 3 298.843 3.343 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC2CCC2)c1 ZINC000175106631 624613883 /nfs/dbraw/zinc/61/38/83/624613883.db2.gz MXSNSSJGUPMJRK-HNNXBMFYSA-N 0 3 284.359 3.223 20 30 CGEDHN C=C(Br)CN[C@@H](C)Cc1cccs1 ZINC000070851702 625039173 /nfs/dbraw/zinc/03/91/73/625039173.db2.gz CXLFRXWILWIMIT-VIFPVBQESA-N 0 3 260.200 3.177 20 30 CGEDHN CC[C@@H](CC(F)(F)F)NCc1csc(C#N)c1 ZINC000921998658 625956826 /nfs/dbraw/zinc/95/68/26/625956826.db2.gz DKAZIMOUAJNVQR-VIFPVBQESA-N 0 3 262.300 3.440 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001005384199 626090031 /nfs/dbraw/zinc/09/00/31/626090031.db2.gz YQSVHCMWEPMNII-HNNXBMFYSA-N 0 3 290.451 3.066 20 30 CGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838788890 626255030 /nfs/dbraw/zinc/25/50/30/626255030.db2.gz WBIMNVAMZPYYSY-PWSUYJOCSA-N 0 3 294.301 3.015 20 30 CGEDHN C=C(Cl)CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000839519642 626356419 /nfs/dbraw/zinc/35/64/19/626356419.db2.gz OKKLENVQUZXESJ-CQSZACIVSA-N 0 3 290.835 3.268 20 30 CGEDHN COc1cc(C)c(CNCc2ccc(C#N)cc2)cc1OC ZINC000751504089 626393406 /nfs/dbraw/zinc/39/34/06/626393406.db2.gz YIOGHRWTRJUNSQ-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C[C@@H]1[C@@H](C)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000752089628 626418829 /nfs/dbraw/zinc/41/88/29/626418829.db2.gz WVZNTYXTYZGGGM-NWDGAFQWSA-N 0 3 278.783 3.473 20 30 CGEDHN CCCCCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754215427 626564099 /nfs/dbraw/zinc/56/40/99/626564099.db2.gz XEFSTHGETRPCLV-UHFFFAOYSA-N 0 3 277.368 3.318 20 30 CGEDHN C=C(Cl)CN[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000839602967 626764589 /nfs/dbraw/zinc/76/45/89/626764589.db2.gz VMIPBBSJMJJNGZ-KBPBESRZSA-N 0 3 253.773 3.087 20 30 CGEDHN CC[C@@H](C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000760342132 626961626 /nfs/dbraw/zinc/96/16/26/626961626.db2.gz VZEIXPNZPQLHAD-IUODEOHRSA-N 0 3 279.343 3.480 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C2CC(F)(F)C2)c([O-])c1 ZINC000760990590 627007864 /nfs/dbraw/zinc/00/78/64/627007864.db2.gz QJYONPASLZFTRI-ZDLGFXPLSA-N 0 3 282.334 3.455 20 30 CGEDHN C#CCOc1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000769446442 627552755 /nfs/dbraw/zinc/55/27/55/627552755.db2.gz PVISDIJSMNCXPX-UHFFFAOYSA-N 0 3 279.330 3.176 20 30 CGEDHN C#CCCOc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1 ZINC000769446328 627552855 /nfs/dbraw/zinc/55/28/55/627552855.db2.gz NIKLGRPXPAQVRW-CABCVRRESA-N 0 3 289.444 3.415 20 30 CGEDHN C#CCN(CC)Cc1cc(C)cc(Br)c1 ZINC000774856059 628040777 /nfs/dbraw/zinc/04/07/77/628040777.db2.gz DMZSFHVTSKDVES-UHFFFAOYSA-N 0 3 266.182 3.213 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000775382569 628087911 /nfs/dbraw/zinc/08/79/11/628087911.db2.gz YOLAQJQFCQUJGF-QGZVFWFLSA-N 0 3 278.355 3.431 20 30 CGEDHN C#C[C@H](NC1CC(c2cccc(Cl)c2)C1)[C@@H]1CCCO1 ZINC000775574383 628110084 /nfs/dbraw/zinc/11/00/84/628110084.db2.gz PJJQYCRVCJSFIY-KMZOKZLKSA-N 0 3 289.806 3.356 20 30 CGEDHN C[C@@H](N[C@H](CCO)c1cccs1)c1ccc(C#N)cc1 ZINC000776163019 628173183 /nfs/dbraw/zinc/17/31/83/628173183.db2.gz MFKBXHLUXFXBLH-IUODEOHRSA-N 0 3 286.400 3.394 20 30 CGEDHN C[C@H](N[C@@H](CCO)c1cccs1)c1cccc(C#N)c1 ZINC000776165095 628173885 /nfs/dbraw/zinc/17/38/85/628173885.db2.gz XHLGPHHFBVYDDY-WFASDCNBSA-N 0 3 286.400 3.394 20 30 CGEDHN C#CCCCCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000776306933 628191251 /nfs/dbraw/zinc/19/12/51/628191251.db2.gz QWZYYDSQQOPUPV-UHFFFAOYSA-N 0 3 298.430 3.307 20 30 CGEDHN C#CCCCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000780676892 628509107 /nfs/dbraw/zinc/50/91/07/628509107.db2.gz AAQZAWNUYIGEPY-HKUYNNGSSA-N 0 3 298.430 3.132 20 30 CGEDHN C=CCOCCN[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000780745430 628513684 /nfs/dbraw/zinc/51/36/84/628513684.db2.gz PQRCGLUPKGVRFH-CQSZACIVSA-N 0 3 285.391 3.034 20 30 CGEDHN CCCCCCCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000781384664 628557650 /nfs/dbraw/zinc/55/76/50/628557650.db2.gz TXUVSRXRCZSNPJ-OAHLLOKOSA-N 0 3 295.471 3.297 20 30 CGEDHN Cc1ccccc1C1CC(NCc2ccc(C#N)cn2)C1 ZINC000783299695 628700894 /nfs/dbraw/zinc/70/08/94/628700894.db2.gz DYMNFNLQCYORPM-UHFFFAOYSA-N 0 3 277.371 3.298 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000805747249 628723131 /nfs/dbraw/zinc/72/31/31/628723131.db2.gz AKJHTPZRASBTKS-SFHVURJKSA-N 0 3 293.370 3.321 20 30 CGEDHN CC[C@H](c1ccccc1OC)N(C)CCO[C@@H](C)C#N ZINC000805836585 629012248 /nfs/dbraw/zinc/01/22/48/629012248.db2.gz SXXFDPMIQOQXNZ-DZGCQCFKSA-N 0 3 276.380 3.007 20 30 CGEDHN C=CCc1ccccc1OC(=O)C1CCN(C2CC2)CC1 ZINC000805850597 629025751 /nfs/dbraw/zinc/02/57/51/629025751.db2.gz YQPWHHIQBXLTGG-UHFFFAOYSA-N 0 3 285.387 3.195 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793230255 629432501 /nfs/dbraw/zinc/43/25/01/629432501.db2.gz FNWRAJWFOKJAQV-WFASDCNBSA-N 0 3 297.320 3.471 20 30 CGEDHN CCCCCCC[C@@H](C)NCc1ncnn1CC ZINC000793345520 629445539 /nfs/dbraw/zinc/44/55/39/629445539.db2.gz CZYUNKSVLPOELU-CYBMUJFWSA-N 0 3 252.406 3.137 20 30 CGEDHN CCOc1cccc(C(C)=NNc2ccnc(C)c2)c1 ZINC000863158747 629484399 /nfs/dbraw/zinc/48/43/99/629484399.db2.gz OJFZBVMAHWHCCP-UHFFFAOYSA-N 0 3 269.348 3.047 20 30 CGEDHN C=CCc1cc(CN2CCC(F)(F)CC2)c(O)c(OC)c1 ZINC000794685543 629567100 /nfs/dbraw/zinc/56/71/00/629567100.db2.gz JNEQKFBSUQKQGA-UHFFFAOYSA-N 0 3 297.345 3.360 20 30 CGEDHN CCC(CC)CNN=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794931103 629601545 /nfs/dbraw/zinc/60/15/45/629601545.db2.gz QMGZUYPVMBBXFE-UHFFFAOYSA-N 0 3 299.422 3.123 20 30 CGEDHN C#C[C@H](N[C@@H](CC)c1cccc(C)c1)[C@@H]1CCCO1 ZINC000796948349 629863927 /nfs/dbraw/zinc/86/39/27/629863927.db2.gz KODINKFMFNXPSG-ULQDDVLXSA-N 0 3 257.377 3.217 20 30 CGEDHN FC(F)(F)c1ccc([C@@H]2CCC(=Nn3cnnc3)C2)cc1 ZINC000799463925 630185057 /nfs/dbraw/zinc/18/50/57/630185057.db2.gz MOFHCMKWRLOTIH-LLVKDONJSA-N 0 3 294.280 3.469 20 30 CGEDHN CCCCN(CCO[C@@H](C)C#N)Cc1ccccc1F ZINC000801916388 630365776 /nfs/dbraw/zinc/36/57/76/630365776.db2.gz WYMLATWRJYAQKC-AWEZNQCLSA-N 0 3 278.371 3.356 20 30 CGEDHN CCC[C@@H](NCCO[C@@H](C)C#N)c1ccc(F)cc1F ZINC000801938907 630371478 /nfs/dbraw/zinc/37/14/78/630371478.db2.gz KIJACAZYMXAQKP-XHDPSFHLSA-N 0 3 282.334 3.324 20 30 CGEDHN N#CCC1(CN[C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806164421 630551907 /nfs/dbraw/zinc/55/19/07/630551907.db2.gz SPZGYGJUDOYPKG-LLVKDONJSA-N 0 3 261.756 3.006 20 30 CGEDHN C#C[C@H](NCc1ccccc1OCc1ccncc1)C(C)C ZINC000809684580 630781063 /nfs/dbraw/zinc/78/10/63/630781063.db2.gz HNXDFQFVVGAADR-SFHVURJKSA-N 0 3 294.398 3.408 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000809686577 630782855 /nfs/dbraw/zinc/78/28/55/630782855.db2.gz DJZCZJKFTJWLDY-MRXNPFEDSA-N 0 3 279.387 3.351 20 30 CGEDHN C=CCOc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000809689645 630783475 /nfs/dbraw/zinc/78/34/75/630783475.db2.gz SLEWDIPOJFREJF-UHFFFAOYSA-N 0 3 287.334 3.386 20 30 CGEDHN C#C[C@H](NCc1ccc(OCC(F)F)cc1)C(C)(C)C ZINC000809782899 630807708 /nfs/dbraw/zinc/80/77/08/630807708.db2.gz KLISOLQVVHOCAT-AWEZNQCLSA-N 0 3 281.346 3.468 20 30 CGEDHN C#C[C@@H](NCc1cccc(OC(F)F)c1)C(C)(C)C ZINC000809782160 630807727 /nfs/dbraw/zinc/80/77/27/630807727.db2.gz JJLIGVMEBWKMLG-CYBMUJFWSA-N 0 3 267.319 3.426 20 30 CGEDHN COCCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000810536242 630886753 /nfs/dbraw/zinc/88/67/53/630886753.db2.gz OYDLCURPWUQLET-NSHDSACASA-N 0 3 286.331 3.067 20 30 CGEDHN C#CCC1(OC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000810747512 630939081 /nfs/dbraw/zinc/93/90/81/630939081.db2.gz SDZYBDPZVLJQHH-UHFFFAOYSA-N 0 3 297.398 3.385 20 30 CGEDHN C#C[C@@H](N[C@@H](C)Cc1cccc(OC)n1)c1ccc(F)cc1 ZINC000812793713 631311517 /nfs/dbraw/zinc/31/15/17/631311517.db2.gz BOAJBWFYRKNYIE-SUMWQHHRSA-N 0 3 298.361 3.124 20 30 CGEDHN CCN(CC#Cc1ccccc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847903 631324766 /nfs/dbraw/zinc/32/47/66/631324766.db2.gz HHFSRCXDPQUFJK-XLIONFOSSA-N 0 3 293.410 3.482 20 30 CGEDHN Nc1ccc2c(c1)C(=NNC1CCCCC1)CCC2 ZINC000814908927 631676591 /nfs/dbraw/zinc/67/65/91/631676591.db2.gz HKSYGUNUHNFUMR-UHFFFAOYSA-N 0 3 257.381 3.232 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000818347991 632312023 /nfs/dbraw/zinc/31/20/23/632312023.db2.gz XOGSAGZIPVLERW-YCPHGPKFSA-N 0 3 275.392 3.251 20 30 CGEDHN CC(C)C(=O)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000823618514 633127902 /nfs/dbraw/zinc/12/79/02/633127902.db2.gz SYRURWCKCMDKNX-CYBMUJFWSA-N 0 3 258.365 3.166 20 30 CGEDHN C#C[C@H](NCc1cc2cc(Cl)cnc2o1)C(C)C ZINC000824364181 633236132 /nfs/dbraw/zinc/23/61/32/633236132.db2.gz VQJFITUQEZKKSY-ZDUSSCGKSA-N 0 3 262.740 3.229 20 30 CGEDHN C=CCCCCC[C@@H](C)[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000824603383 633264476 /nfs/dbraw/zinc/26/44/76/633264476.db2.gz QSJSFCOIIKSJFV-GFCCVEGCSA-N 0 3 262.401 3.297 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H](CC)c1ccccc1 ZINC000876598701 634865239 /nfs/dbraw/zinc/86/52/39/634865239.db2.gz OVGBHPHSZLDAHW-CABCVRRESA-N 0 3 294.826 3.456 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](c1ccccc1)C(C)C ZINC000876602112 634866737 /nfs/dbraw/zinc/86/67/37/634866737.db2.gz HEQXYRXWBJAPRX-LSDHHAIUSA-N 0 3 294.826 3.012 20 30 CGEDHN C=CCCCC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000868815882 633366728 /nfs/dbraw/zinc/36/67/28/633366728.db2.gz RMCPTFJOGJTNGM-UHFFFAOYSA-N 0 3 276.380 3.052 20 30 CGEDHN C#C[C@H](N[C@H]1CCCSCC1)c1ccc(F)cc1 ZINC000825955980 633392114 /nfs/dbraw/zinc/39/21/14/633392114.db2.gz VQKGBORPCNMCRL-GJZGRUSLSA-N 0 3 263.381 3.375 20 30 CGEDHN C#CCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000826862093 633438834 /nfs/dbraw/zinc/43/88/34/633438834.db2.gz UEODLZOYJOZFCB-MRXNPFEDSA-N 0 3 282.387 3.214 20 30 CGEDHN CC(=O)Oc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000122772084 633508438 /nfs/dbraw/zinc/50/84/38/633508438.db2.gz YZRUXERLQJAMOC-UHFFFAOYSA-N 0 3 294.354 3.116 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cc(C(=O)OC)sc2C)C1 ZINC000829789384 633785857 /nfs/dbraw/zinc/78/58/57/633785857.db2.gz UMDAZSTXMHENID-ZDUSSCGKSA-N 0 3 291.416 3.078 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872070120 633992125 /nfs/dbraw/zinc/99/21/25/633992125.db2.gz XYTVUORXSHTYDT-OZVIIMIRSA-N 0 3 279.355 3.163 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872130465 634050970 /nfs/dbraw/zinc/05/09/70/634050970.db2.gz MTASVUPPMJHBHN-FOGDFJRCSA-N 0 3 283.297 3.443 20 30 CGEDHN C=C(CC)CN(C)C[C@H](O)c1ccccc1Br ZINC000832680599 634080902 /nfs/dbraw/zinc/08/09/02/634080902.db2.gz TZNOMZGEMMALEA-AWEZNQCLSA-N 0 3 298.224 3.381 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872261905 634092179 /nfs/dbraw/zinc/09/21/79/634092179.db2.gz KBAXVVXEKVRGSX-SFHVURJKSA-N 0 3 284.403 3.482 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@@H](C)c2ccsc21)[C@@H]1CCCO1 ZINC000834768757 634239005 /nfs/dbraw/zinc/23/90/05/634239005.db2.gz FNCXSCIZRVCKDR-BEAPCOKYSA-N 0 3 275.417 3.457 20 30 CGEDHN C=CC(C)(C)CCCNCc1cc2n(n1)CCCC2 ZINC000873151139 634258745 /nfs/dbraw/zinc/25/87/45/634258745.db2.gz AIKWQVNMQGOHLP-UHFFFAOYSA-N 0 3 261.413 3.301 20 30 CGEDHN N#Cc1c(F)cccc1CNCC[C@H]1CCCS1 ZINC000873150500 634258897 /nfs/dbraw/zinc/25/88/97/634258897.db2.gz LEDYICQUHPYFEQ-GFCCVEGCSA-N 0 3 264.369 3.073 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000876665322 634878089 /nfs/dbraw/zinc/87/80/89/634878089.db2.gz TWPUTPOTQADWIY-QWHCGFSZSA-N 0 3 286.847 3.131 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CSCC)c1 ZINC000876676119 634880125 /nfs/dbraw/zinc/88/01/25/634880125.db2.gz RZENTKDVGLPNLP-CYBMUJFWSA-N 0 3 298.839 3.348 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000876937658 634932341 /nfs/dbraw/zinc/93/23/41/634932341.db2.gz YXZFNPMODSWSRF-MJBXVCDLSA-N 0 3 298.858 3.131 20 30 CGEDHN CC1(C)CCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877078660 634975495 /nfs/dbraw/zinc/97/54/95/634975495.db2.gz YJOMLSQQZJWDQB-GFCCVEGCSA-N 0 3 263.772 3.275 20 30 CGEDHN C[C@@H](C#N)CN[C@H](C)CCc1cncc2ccccc21 ZINC000877321556 635025672 /nfs/dbraw/zinc/02/56/72/635025672.db2.gz OAUJYLSXHRYJJU-UONOGXRCSA-N 0 3 267.376 3.305 20 30 CGEDHN C#C[C@@H](C)NCc1cc2nc(Cl)ccc2s1 ZINC000877513628 635065695 /nfs/dbraw/zinc/06/56/95/635065695.db2.gz BNKLTLBERGBVSL-MRVPVSSYSA-N 0 3 250.754 3.061 20 30 CGEDHN C#C[C@@H](NCCC[C@H]1CCO1)c1ccc(Cl)cc1 ZINC000877542420 635080481 /nfs/dbraw/zinc/08/04/81/635080481.db2.gz YNMLMRGMMLEAFL-LSDHHAIUSA-N 0 3 263.768 3.173 20 30 CGEDHN Clc1cccc([C@@H]2CCC(=Nn3cnnc3)C2)c1 ZINC000841603587 635195011 /nfs/dbraw/zinc/19/50/11/635195011.db2.gz KPNNDZGRYOUOIP-LLVKDONJSA-N 0 3 260.728 3.103 20 30 CGEDHN N#CC(C(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccccn1 ZINC000842684797 635440313 /nfs/dbraw/zinc/44/03/13/635440313.db2.gz NUCSANIFKYJJKH-KKUMJFAQSA-N 0 3 268.360 3.474 20 30 CGEDHN C=C(CC)CN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551473 635809122 /nfs/dbraw/zinc/80/91/22/635809122.db2.gz DOHMOTSSTLXRNC-UHFFFAOYSA-N 0 3 275.396 3.483 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cc(OC(C)C)ccn2)C1 ZINC000844348467 635876443 /nfs/dbraw/zinc/87/64/43/635876443.db2.gz ZEPXABINFXKCGV-HNNXBMFYSA-N 0 3 272.392 3.104 20 30 CGEDHN N#CCCOCCNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000844462181 635909233 /nfs/dbraw/zinc/90/92/33/635909233.db2.gz KVUKAZDRHYTRKL-UHFFFAOYSA-N 0 3 298.308 3.214 20 30 CGEDHN C[C@@H](CCC#N)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880251063 635957069 /nfs/dbraw/zinc/95/70/69/635957069.db2.gz PQXPEBIXXVSYLD-HOTGVXAUSA-N 0 3 271.408 3.057 20 30 CGEDHN C#CCC1(O)CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000880479685 636008093 /nfs/dbraw/zinc/00/80/93/636008093.db2.gz TYZPCRCPEQCPKW-CYBMUJFWSA-N 0 3 277.795 3.251 20 30 CGEDHN C#C[C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000847026498 636316678 /nfs/dbraw/zinc/31/66/78/636316678.db2.gz FJWBDKSPVWWOHZ-CHWSQXEVSA-N 0 3 258.321 3.001 20 30 CGEDHN CC(C)c1ccc(N(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000848403681 636567337 /nfs/dbraw/zinc/56/73/37/636567337.db2.gz YCBIHEWSJWIMIN-MRXNPFEDSA-N 0 3 287.407 3.184 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C)no1)[C@H]1Cc2ccccc2O1 ZINC000883186591 636572103 /nfs/dbraw/zinc/57/21/03/636572103.db2.gz VFUYOCSMEJUTOT-SJLPKXTDSA-N 0 3 298.386 3.411 20 30 CGEDHN C=CCC[C@H](NCc1nn(C)c2ccccc12)[C@H]1CCCO1 ZINC000883215959 636590983 /nfs/dbraw/zinc/59/09/83/636590983.db2.gz JDRQURUSMYUUMZ-MAUKXSAKSA-N 0 3 299.418 3.177 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000848784904 636657343 /nfs/dbraw/zinc/65/73/43/636657343.db2.gz HHSFISYYMGAPJW-FUHWJXTLSA-N 0 3 297.402 3.190 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1csc(C(F)(F)F)c1 ZINC000883399051 636739892 /nfs/dbraw/zinc/73/98/92/636739892.db2.gz BUXYWDNUEMBYGY-SNVBAGLBSA-N 0 3 279.327 3.184 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000883400017 636741237 /nfs/dbraw/zinc/74/12/37/636741237.db2.gz BMZDYSFFFISZMC-GFCCVEGCSA-N 0 3 291.288 3.261 20 30 CGEDHN CC(C)(C)N1CC[C@@H]1COC(=O)CC1(C#N)CCCCC1 ZINC000851104410 637258448 /nfs/dbraw/zinc/25/84/48/637258448.db2.gz KKDAGVUQAVDYID-CQSZACIVSA-N 0 3 292.423 3.267 20 30 CGEDHN CN(Cc1ccc(Cl)s1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885930580 637316743 /nfs/dbraw/zinc/31/67/43/637316743.db2.gz BBHKQOGYVHCOIX-NSHDSACASA-N 0 3 298.839 3.278 20 30 CGEDHN C[C@H](NC[C@H](O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000886046603 637384942 /nfs/dbraw/zinc/38/49/42/637384942.db2.gz JWNGRVAMCKEQTB-QWHCGFSZSA-N 0 3 292.810 3.435 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000886355449 637511500 /nfs/dbraw/zinc/51/15/00/637511500.db2.gz IWFAPIGQTJNAAY-CQSZACIVSA-N 0 3 266.344 3.187 20 30 CGEDHN C#CCOCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000851841644 637519085 /nfs/dbraw/zinc/51/90/85/637519085.db2.gz WCDXFOAJEHFZKF-SFHVURJKSA-N 0 3 282.387 3.345 20 30 CGEDHN C#CCN(C(=O)[C@@H](CC)CCCCC)C1CCN(C)CC1 ZINC000886579000 637589905 /nfs/dbraw/zinc/58/99/05/637589905.db2.gz TXUSCSDZLIMYAF-INIZCTEOSA-N 0 3 292.467 3.149 20 30 CGEDHN Cc1cc2ncn(CN3CCC[C@@H](CC#N)C3)c2cc1C ZINC000853525031 637861484 /nfs/dbraw/zinc/86/14/84/637861484.db2.gz BLAHBVIOUANODC-HNNXBMFYSA-N 0 3 282.391 3.236 20 30 CGEDHN C=CCN(Cn1cnc2cc(C)c(C)cc21)[C@H](C)COC ZINC000853533047 637862837 /nfs/dbraw/zinc/86/28/37/637862837.db2.gz SRHTWZJCHHUHAG-OAHLLOKOSA-N 0 3 287.407 3.134 20 30 CGEDHN C=CCCCCN1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854080359 637985319 /nfs/dbraw/zinc/98/53/19/637985319.db2.gz YXRZMCDRBVUQNY-UHFFFAOYSA-N 0 3 298.390 3.061 20 30 CGEDHN C=CCC(C)(C)c1noc(-c2cc3c(s2)CCNC3)n1 ZINC000854158677 637999168 /nfs/dbraw/zinc/99/91/68/637999168.db2.gz AIMDSEOGJHPWEF-UHFFFAOYSA-N 0 3 289.404 3.298 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(C)c(F)c2)cc1 ZINC000113316505 638185142 /nfs/dbraw/zinc/18/51/42/638185142.db2.gz GXQWZIVOCIWZAB-UHFFFAOYSA-N 0 3 283.346 3.436 20 30 CGEDHN CCC(=O)Nc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000924696525 638389598 /nfs/dbraw/zinc/38/95/98/638389598.db2.gz HHEIILNUTQVKPN-ZDUSSCGKSA-N 0 3 287.407 3.453 20 30 CGEDHN C#CCSCCN[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000925456170 638504859 /nfs/dbraw/zinc/50/48/59/638504859.db2.gz STVFZNMCFRSYQX-ZDUSSCGKSA-N 0 3 286.400 3.359 20 30 CGEDHN C=CCC[C@@H](NCc1cc(N)ccn1)c1ccco1 ZINC000925766090 638602414 /nfs/dbraw/zinc/60/24/14/638602414.db2.gz GKJHDEOPDORHLI-CQSZACIVSA-N 0 3 257.337 3.054 20 30 CGEDHN N#CCCCN[C@H]1CCCc2ncc(Br)cc21 ZINC000926133895 638717791 /nfs/dbraw/zinc/71/77/91/638717791.db2.gz UYNIHIFUWIGSTR-LBPRGKRZSA-N 0 3 294.196 3.115 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCOC23CCCCC3)c1F ZINC000926326238 638763428 /nfs/dbraw/zinc/76/34/28/638763428.db2.gz NZWBDXSAVZJKHK-HNNXBMFYSA-N 0 3 288.366 3.279 20 30 CGEDHN COc1c(C)cccc1CN[C@H](C)CC(C)(C)C#N ZINC000926663538 638795982 /nfs/dbraw/zinc/79/59/82/638795982.db2.gz LYAJDBDLIHNKFG-CYBMUJFWSA-N 0 3 260.381 3.422 20 30 CGEDHN Cc1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1C#N ZINC000926967170 638829535 /nfs/dbraw/zinc/82/95/35/638829535.db2.gz PSSNYIQUTDADGO-AWEZNQCLSA-N 0 3 280.371 3.210 20 30 CGEDHN C#Cc1ccc(NC(=O)CCN(C)[C@@H](C)c2ccco2)cc1 ZINC000929370341 638921955 /nfs/dbraw/zinc/92/19/55/638921955.db2.gz PPHXMSFIEFNJET-AWEZNQCLSA-N 0 3 296.370 3.283 20 30 CGEDHN Cc1c(CN(C)CCCCC2(C#N)CCC2)cnn1C ZINC000930266538 638986741 /nfs/dbraw/zinc/98/67/41/638986741.db2.gz AGFVKGNYNJLHLD-UHFFFAOYSA-N 0 3 274.412 3.025 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCN1C1CCCC1 ZINC000858779570 639020441 /nfs/dbraw/zinc/02/04/41/639020441.db2.gz AREZVEQEBBBNNF-INIZCTEOSA-N 0 3 297.402 3.190 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cnc(Br)c(C)c1 ZINC000930600860 639035698 /nfs/dbraw/zinc/03/56/98/639035698.db2.gz OOZDLQNSUJIMEJ-ZDUSSCGKSA-N 0 3 281.197 3.044 20 30 CGEDHN C=CCOCCN[C@H](c1ncccc1C)C(C)(C)C ZINC000934289350 639572286 /nfs/dbraw/zinc/57/22/86/639572286.db2.gz MQRUFVZZBMEFEW-OAHLLOKOSA-N 0 3 262.397 3.269 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000935116725 639752865 /nfs/dbraw/zinc/75/28/65/639752865.db2.gz AOBIJAQEMBEUOQ-UWWQBHOKSA-N 0 3 286.419 3.150 20 30 CGEDHN CN(Cc1cccn1C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093584701 640776815 /nfs/dbraw/zinc/77/68/15/640776815.db2.gz GVXPFXDIFDGKOY-UHFFFAOYSA-N 0 3 296.418 3.007 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC001007438923 640942853 /nfs/dbraw/zinc/94/28/53/640942853.db2.gz XFPHLVSWXMAWPM-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016078638 640991094 /nfs/dbraw/zinc/99/10/94/640991094.db2.gz XNQYPIWCZOOLTK-KRWDZBQOSA-N 0 3 286.419 3.190 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(C)(C)C1 ZINC001017840338 641017655 /nfs/dbraw/zinc/01/76/55/641017655.db2.gz CXYJAKOPCWGIKJ-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN N#Cc1cnc(-c2cccc(CN3CCCCC3)c2F)nc1 ZINC001250509296 805665360 /nfs/dbraw/zinc/66/53/60/805665360.db2.gz IVRVKLREIOBSDF-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CC(N2CCCCC2)C1 ZINC001252130334 806016596 /nfs/dbraw/zinc/01/65/96/806016596.db2.gz OOMLLMHFXNPDFL-GOSISDBHSA-N 0 3 296.499 3.268 20 30 CGEDHN C=CCC[C@@H](O)CNCc1ccc(C)cc1Cl ZINC001252618079 806090683 /nfs/dbraw/zinc/09/06/83/806090683.db2.gz OTWCAGDRFDHWMX-CYBMUJFWSA-N 0 3 253.773 3.065 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1C[C@@H](F)C[C@H]1C ZINC001253234161 806188636 /nfs/dbraw/zinc/18/86/36/806188636.db2.gz VRPDAAZVMCYINT-ILXRZTDVSA-N 0 3 257.393 3.306 20 30 CGEDHN C=C[C@H](O)CN1CCC[C@@H]1c1ccccc1Br ZINC001253567354 806261336 /nfs/dbraw/zinc/26/13/36/806261336.db2.gz NBPJEEVSJMZDSW-SMDDNHRTSA-N 0 3 296.208 3.133 20 30 CGEDHN C=C[C@H](O)CN(C)Cc1ccccc1Oc1ccccc1 ZINC001253585687 806265295 /nfs/dbraw/zinc/26/52/95/806265295.db2.gz YSKVVPUARFCTBB-INIZCTEOSA-N 0 3 283.371 3.458 20 30 CGEDHN CCCCN(CC#N)C(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001160730291 806299032 /nfs/dbraw/zinc/29/90/32/806299032.db2.gz OWGOMMADMNSIGD-SJORKVTESA-N 0 3 299.418 3.022 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1ccc(-c2ccncc2)cn1 ZINC001160953482 806327965 /nfs/dbraw/zinc/32/79/65/806327965.db2.gz BTWCRAWEGYQUSC-KRWDZBQOSA-N 0 3 294.402 3.206 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)N[C@@H]1CCCOC1 ZINC001254369581 806385474 /nfs/dbraw/zinc/38/54/74/806385474.db2.gz IXGCCJHMEQDNOY-ZIAGYGMSSA-N 0 3 261.365 3.081 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cc(F)cc(Cl)c2)C1 ZINC001254634776 806465670 /nfs/dbraw/zinc/46/56/70/806465670.db2.gz LBWPXVDCYARNML-RNCFNFMXSA-N 0 3 252.720 3.261 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCc2ccc(Cl)cc2C1 ZINC001255155870 806556804 /nfs/dbraw/zinc/55/68/04/806556804.db2.gz BVXXKHKKJNWLAM-GJZGRUSLSA-N 0 3 262.784 3.479 20 30 CGEDHN C[C@H](CC(F)(F)F)NC1(c2ccc(C#N)cc2)CC1 ZINC001255638774 806687487 /nfs/dbraw/zinc/68/74/87/806687487.db2.gz PEXAGFOKRHFHNZ-SNVBAGLBSA-N 0 3 268.282 3.478 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001163172553 806713447 /nfs/dbraw/zinc/71/34/47/806713447.db2.gz RLNKQURUUDGZKL-CABCVRRESA-N 0 3 298.858 3.051 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)CCOCc1ccccc1 ZINC000390291579 799469841 /nfs/dbraw/zinc/46/98/41/799469841.db2.gz YZKIFEWUCGXVDP-HOCLYGCPSA-N 0 3 260.381 3.264 20 30 CGEDHN C[C@H](Cc1ccccc1F)N1CCC[C@@H](CC#N)C1 ZINC001255851835 806768778 /nfs/dbraw/zinc/76/87/78/806768778.db2.gz XNNLIKLKLMCTIG-KGLIPLIRSA-N 0 3 260.356 3.382 20 30 CGEDHN C=CCC1(NCc2nc(Br)c[nH]2)CCCC1 ZINC000690807402 799779991 /nfs/dbraw/zinc/77/99/91/799779991.db2.gz XGAYHBLNBHATKI-UHFFFAOYSA-N 0 3 284.201 3.151 20 30 CGEDHN C=C(Br)CNCCc1cccc(Cl)c1 ZINC000702933227 799915736 /nfs/dbraw/zinc/91/57/36/799915736.db2.gz RVLIPZCHEMKYOF-UHFFFAOYSA-N 0 3 274.589 3.381 20 30 CGEDHN CS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000708302692 799985521 /nfs/dbraw/zinc/98/55/21/799985521.db2.gz OSJYMCOADMPQPH-KBPBESRZSA-N 0 3 278.396 3.413 20 30 CGEDHN C[C@H](CNc1nc(Cl)c(C#N)s1)N1CCCC[C@H]1C ZINC000804349125 800396999 /nfs/dbraw/zinc/39/69/99/800396999.db2.gz JAKMGOWLIXDUHA-NXEZZACHSA-N 0 3 298.843 3.343 20 30 CGEDHN Cc1cccc2c1C[C@H](NCc1csc(C#N)c1)CO2 ZINC000922284616 800617707 /nfs/dbraw/zinc/61/77/07/800617707.db2.gz KSCOJBVERTXEOC-ZDUSSCGKSA-N 0 3 284.384 3.022 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024503607 800729853 /nfs/dbraw/zinc/72/98/53/800729853.db2.gz ADTOQOJSRANJJK-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C1CCC(C(=O)NC[C@H]2CCCN2CC=C(C)C)CC1 ZINC001028117986 800831658 /nfs/dbraw/zinc/83/16/58/800831658.db2.gz VGIUONKOORUEDE-QGZVFWFLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001028195977 800836861 /nfs/dbraw/zinc/83/68/61/800836861.db2.gz ZNYFEUYUDXXYRT-GOSISDBHSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028329193 800843358 /nfs/dbraw/zinc/84/33/58/800843358.db2.gz HZBODUYJXHFIRG-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028341485 800845187 /nfs/dbraw/zinc/84/51/87/800845187.db2.gz LWOBQWMFHMUILM-UYSNPLJNSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC ZINC001029419882 800868019 /nfs/dbraw/zinc/86/80/19/800868019.db2.gz MMXBLBLWWJQCQK-GASCZTMLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC1CCCC1 ZINC001032661084 800931710 /nfs/dbraw/zinc/93/17/10/800931710.db2.gz PVQOGSWHTIYGQL-XIRDDKMYSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033694834 800975379 /nfs/dbraw/zinc/97/53/79/800975379.db2.gz UAICZVJCGRFZCL-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001034334283 801018009 /nfs/dbraw/zinc/01/80/09/801018009.db2.gz MIOJKMHMWPTMEX-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001034420510 801026654 /nfs/dbraw/zinc/02/66/54/801026654.db2.gz UMLMJIFTGKTVQW-QGZVFWFLSA-N 0 3 284.403 3.100 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034543665 801032105 /nfs/dbraw/zinc/03/21/05/801032105.db2.gz IQEHSOZHPVPOOK-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402535 801125197 /nfs/dbraw/zinc/12/51/97/801125197.db2.gz NOWSUVZCEVMBSK-IRXDYDNUSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001038880512 801134728 /nfs/dbraw/zinc/13/47/28/801134728.db2.gz GHXWCWHTWNQLGK-KRWDZBQOSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038945945 801137525 /nfs/dbraw/zinc/13/75/25/801137525.db2.gz WJTPTKZXBQMWHG-HNNXBMFYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc2ccccc21 ZINC001038991185 801140232 /nfs/dbraw/zinc/14/02/32/801140232.db2.gz YPDCQCKCZSPZFO-MRXNPFEDSA-N 0 3 294.398 3.220 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@@H]21 ZINC001042241314 801203922 /nfs/dbraw/zinc/20/39/22/801203922.db2.gz WGSZWCQXEFCLCB-WMZOPIPTSA-N 0 3 296.414 3.052 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001045605094 801282095 /nfs/dbraw/zinc/28/20/95/801282095.db2.gz FNSSBPPFHKAWTR-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccoc2CCC)C1 ZINC001046767552 801322535 /nfs/dbraw/zinc/32/25/35/801322535.db2.gz OCENVMIGOMPBKV-KRWDZBQOSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788388 801322667 /nfs/dbraw/zinc/32/26/67/801322667.db2.gz CHUDJOYJAVYDDP-BQFCYCMXSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)ccc1C ZINC001049862554 801390690 /nfs/dbraw/zinc/39/06/90/801390690.db2.gz IOFQQVCTLHCQGU-ROUUACIJSA-N 0 3 298.430 3.168 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049904978 801392776 /nfs/dbraw/zinc/39/27/76/801392776.db2.gz UVGZVTGJCADJJE-LSDHHAIUSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCN1C[C@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373646 801532937 /nfs/dbraw/zinc/53/29/37/801532937.db2.gz MLXYXLDEFILOQX-GOEBONIOSA-N 0 3 276.424 3.032 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(CC(=C)C)C2)cc1 ZINC001071828300 801553955 /nfs/dbraw/zinc/55/39/55/801553955.db2.gz MNUJPPPPGUBROF-MAUKXSAKSA-N 0 3 298.430 3.488 20 30 CGEDHN C=C1CC=C(F)C=C1NC1CCN(Cc2ccncc2)CC1 ZINC001256583585 806922059 /nfs/dbraw/zinc/92/20/59/806922059.db2.gz GOIGAMUHNIVLKX-UHFFFAOYSA-N 0 3 299.393 3.333 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001080979486 801657490 /nfs/dbraw/zinc/65/74/90/801657490.db2.gz QZEYLWHJLUMHJU-RDTXWAMCSA-N 0 3 298.430 3.190 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC=CCC1 ZINC001085131656 801678397 /nfs/dbraw/zinc/67/83/97/801678397.db2.gz WXOVFCXBBWDMIK-RRFJBIMHSA-N 0 3 296.842 3.112 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C1CC1 ZINC001085302825 801681679 /nfs/dbraw/zinc/68/16/79/801681679.db2.gz GKWCMLZCPAYGIS-ZIAGYGMSSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001086450394 801728120 /nfs/dbraw/zinc/72/81/20/801728120.db2.gz SOQDUYAOBGAFDZ-MGPQQGTHSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccoc2)C1 ZINC001088263093 801778958 /nfs/dbraw/zinc/77/89/58/801778958.db2.gz VWDZWZXGXHECDE-AWEZNQCLSA-N 0 3 296.798 3.007 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C(C)=C/C)C1 ZINC001088291952 801780903 /nfs/dbraw/zinc/78/09/03/801780903.db2.gz QDCWRVNBJLDHAL-NQADCFBISA-N 0 3 284.831 3.066 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1C ZINC001088941238 801812898 /nfs/dbraw/zinc/81/28/98/801812898.db2.gz NKXQYLXJMDTGMK-VQHPVUNQSA-N 0 3 292.467 3.214 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001089606089 801846464 /nfs/dbraw/zinc/84/64/64/801846464.db2.gz VPFAETBFGNTJAX-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001096385031 801886601 /nfs/dbraw/zinc/88/66/01/801886601.db2.gz YRHLIDBTLJPNKN-MTSZKFMLSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(=C)CC1)C2 ZINC001095969406 801887959 /nfs/dbraw/zinc/88/79/59/801887959.db2.gz SMKJJIYRDBYCCP-IKGGRYGDSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC)C2 ZINC001095936016 801888953 /nfs/dbraw/zinc/88/89/53/801888953.db2.gz SDVFCFDAVMXBIQ-NJAFHUGGSA-N 0 3 298.430 3.160 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2=CCCCCC2)C1 ZINC001098809106 801914439 /nfs/dbraw/zinc/91/44/39/801914439.db2.gz HCSJTKLZDYTOPE-WMZOPIPTSA-N 0 3 288.435 3.034 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C(\C)CC ZINC001099054347 801926492 /nfs/dbraw/zinc/92/64/92/801926492.db2.gz DLTDLKUKZVDTAQ-ATGUSINASA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001099158475 801930243 /nfs/dbraw/zinc/93/02/43/801930243.db2.gz HDIGNTGHGFFERX-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C/C=C(/C)C=C ZINC001099181523 801932472 /nfs/dbraw/zinc/93/24/72/801932472.db2.gz AOKSGDGYIQWMLU-YMDFIQGPSA-N 0 3 290.451 3.302 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CC2(C)CCCC2)C1 ZINC001100301588 801945815 /nfs/dbraw/zinc/94/58/15/801945815.db2.gz SOZOBOXQLZGNED-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109611517 802119278 /nfs/dbraw/zinc/11/92/78/802119278.db2.gz MCFGSAFMJRBDIO-PMPSAXMXSA-N 0 3 276.424 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(CC)CC)C2 ZINC001111189841 802157119 /nfs/dbraw/zinc/15/71/19/802157119.db2.gz FYKMPEFQVBCEBL-OAGGEKHMSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCC2CC2)CC1 ZINC001113237394 802208653 /nfs/dbraw/zinc/20/86/53/802208653.db2.gz PFWHVOANXNDKCW-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCCCC)C(C)C ZINC001115095975 802251607 /nfs/dbraw/zinc/25/16/07/802251607.db2.gz NEFHKXSWMYLZFV-MWDXBVQZSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CCc2cc(Br)ccc21 ZINC001116643266 802390938 /nfs/dbraw/zinc/39/09/38/802390938.db2.gz NDBIRPKPPPGCTF-JSGCOSHPSA-N 0 3 296.208 3.227 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC001116643715 802392054 /nfs/dbraw/zinc/39/20/54/802392054.db2.gz TXJDJJCPUKUQTJ-JQWIXIFHSA-N 0 3 271.307 3.140 20 30 CGEDHN CC(C)COCC[C@@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001172474672 808340904 /nfs/dbraw/zinc/34/09/04/808340904.db2.gz VBEOGNMXRQAJPE-OAHLLOKOSA-N 0 3 286.419 3.368 20 30 CGEDHN C[C@H](CCCC#N)NCc1cccnc1Br ZINC001172489646 808350007 /nfs/dbraw/zinc/35/00/07/808350007.db2.gz XMONNBNQADGSOE-SNVBAGLBSA-N 0 3 282.185 3.016 20 30 CGEDHN C=CC[C@H]1N(Cc2[nH]nc3c2COCC3)CCCC1(C)C ZINC001119772369 802699612 /nfs/dbraw/zinc/69/96/12/802699612.db2.gz WXVYLJAIOBREOE-MRXNPFEDSA-N 0 3 289.423 3.049 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)Cc1cccc(C2CC2)c1 ZINC001123232685 802919512 /nfs/dbraw/zinc/91/95/12/802919512.db2.gz BWAWLZAVVJDSDP-MRXNPFEDSA-N 0 3 293.370 3.199 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C(C1CCC1)C1CCC1 ZINC001123335987 802930140 /nfs/dbraw/zinc/93/01/40/802930140.db2.gz AVELZQUFRNNVJJ-CQSZACIVSA-N 0 3 285.391 3.296 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)CCC)CC[C@H]1C ZINC001132252810 803387154 /nfs/dbraw/zinc/38/71/54/803387154.db2.gz KSRMIDZSZGKAMR-HUUCEWRRSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCCCCC)CC[C@@H]1C ZINC001132463965 803406340 /nfs/dbraw/zinc/40/63/40/803406340.db2.gz KWZVYUQDOVTBEH-LSDHHAIUSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCCCCC)CC[C@H]1C ZINC001132463962 803406904 /nfs/dbraw/zinc/40/69/04/803406904.db2.gz KWZVYUQDOVTBEH-CABCVRRESA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCC[C@H](C)C2)CCCCC1 ZINC001136225134 803637191 /nfs/dbraw/zinc/63/71/91/803637191.db2.gz TYYDAHJLSHXXNF-INIZCTEOSA-N 0 3 292.467 3.361 20 30 CGEDHN C=CCCCCN(C)Cc1ncc(C(F)(F)F)[nH]1 ZINC001137018732 803671906 /nfs/dbraw/zinc/67/19/06/803671906.db2.gz CNUJKHDYNSCFID-UHFFFAOYSA-N 0 3 261.291 3.217 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3c2cccc3F)C1 ZINC001137057502 803676864 /nfs/dbraw/zinc/67/68/64/803676864.db2.gz DUYSEIRGVRDRGE-LBPRGKRZSA-N 0 3 271.339 3.433 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4cccnc43)CCC2S1 ZINC001137173442 803693823 /nfs/dbraw/zinc/69/38/23/803693823.db2.gz VPOPMHFNONFWLF-OAHLLOKOSA-N 0 3 296.395 3.009 20 30 CGEDHN C=CCN(Cc1cnc2ccc(C)cn12)C(C)(C)C ZINC001137312387 803712916 /nfs/dbraw/zinc/71/29/16/803712916.db2.gz SKJXHUIOULXXJO-UHFFFAOYSA-N 0 3 257.381 3.429 20 30 CGEDHN C=CCc1cccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c1[O-] ZINC001138629746 803985028 /nfs/dbraw/zinc/98/50/28/803985028.db2.gz IHOOXCPBXNMKPQ-AWEZNQCLSA-N 0 3 293.407 3.150 20 30 CGEDHN C=CCc1cccc(CN2CC3(C2)C[C@H](F)CS3)c1O ZINC001138629746 803985032 /nfs/dbraw/zinc/98/50/32/803985032.db2.gz IHOOXCPBXNMKPQ-AWEZNQCLSA-N 0 3 293.407 3.150 20 30 CGEDHN C=CCn1cc(CN(C)CCc2ccccc2Cl)cn1 ZINC001139772885 804280649 /nfs/dbraw/zinc/28/06/49/804280649.db2.gz SIFPAZZQDZAWIZ-UHFFFAOYSA-N 0 3 289.810 3.397 20 30 CGEDHN COc1cc(F)c(CNC2CCC(C#N)CC2)c(F)c1 ZINC001256956050 807014905 /nfs/dbraw/zinc/01/49/05/807014905.db2.gz ICAFGQMDMXCAGF-UHFFFAOYSA-N 0 3 280.318 3.145 20 30 CGEDHN N#CC1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC001256968425 807018343 /nfs/dbraw/zinc/01/83/43/807018343.db2.gz FOZZQONNPWONPP-UHFFFAOYSA-N 0 3 287.382 3.030 20 30 CGEDHN C=CCCCNC(=S)Nc1cccc(CN(C)C)c1 ZINC001247743657 804812648 /nfs/dbraw/zinc/81/26/48/804812648.db2.gz NHIRSZBVNKYUKT-UHFFFAOYSA-N 0 3 277.437 3.001 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143644806 804882655 /nfs/dbraw/zinc/88/26/55/804882655.db2.gz KMKDSAQSYIPNQX-UHFFFAOYSA-N 0 3 259.271 3.332 20 30 CGEDHN Cc1noc2ccc(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc12 ZINC001248706310 804971393 /nfs/dbraw/zinc/97/13/93/804971393.db2.gz QVUVGGAAQFUDIP-QKDCVEJESA-N 0 3 281.359 3.403 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2nc(Cl)ccc12 ZINC001144415946 804984659 /nfs/dbraw/zinc/98/46/59/804984659.db2.gz RVOMKMKURUKQKJ-UHFFFAOYSA-N 0 3 261.756 3.390 20 30 CGEDHN Cn1ccc(-c2ccc(CN3CCC[C@H](CC#N)C3)cc2)n1 ZINC001248766401 804987567 /nfs/dbraw/zinc/98/75/67/804987567.db2.gz OTKZMKXECNTFGU-OAHLLOKOSA-N 0 3 294.402 3.213 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(Br)n1C ZINC001248776180 804990131 /nfs/dbraw/zinc/99/01/31/804990131.db2.gz KHACCUTWNDCWQL-UHFFFAOYSA-N 0 3 271.202 3.186 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2cccc(C(=O)OC)c2)cc1 ZINC001144579070 805009796 /nfs/dbraw/zinc/00/97/96/805009796.db2.gz XFCYVJRZXBYBQA-UHFFFAOYSA-N 0 3 293.366 3.087 20 30 CGEDHN CCCOC1CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429074 805146647 /nfs/dbraw/zinc/14/66/47/805146647.db2.gz MQVFRXPRWPUGMG-UHFFFAOYSA-N 0 3 297.402 3.431 20 30 CGEDHN CCN1CCc2ccc(CN3CCC[C@H](C#N)CC3)cc21 ZINC001249664615 805206958 /nfs/dbraw/zinc/20/69/58/805206958.db2.gz KFGUHEXBJQSPKO-HNNXBMFYSA-N 0 3 283.419 3.195 20 30 CGEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H](CC)CCC ZINC001257263607 807078124 /nfs/dbraw/zinc/07/81/24/807078124.db2.gz UOYQCZOFNLHGSZ-ZBFHGGJFSA-N 0 3 291.439 3.101 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001167296651 807177652 /nfs/dbraw/zinc/17/76/52/807177652.db2.gz UTSQOGXOMQYJJX-FICVDOATSA-N 0 3 298.858 3.051 20 30 CGEDHN C=C1C[C@@H]2CC(NCc3nccnc3Cl)C[C@H](C1)C2 ZINC001257887328 807239093 /nfs/dbraw/zinc/23/90/93/807239093.db2.gz PSWLFYNAWUJIKT-FUNVUKJBSA-N 0 3 277.799 3.355 20 30 CGEDHN CCCCCCC[C@H](C)N[C@@H](CO)c1ccccn1 ZINC001258040699 807271275 /nfs/dbraw/zinc/27/12/75/807271275.db2.gz GWEVQCAXBYISCX-HOCLYGCPSA-N 0 3 264.413 3.454 20 30 CGEDHN CCCN(CCC#N)C1CCN(c2ccccc2)CC1 ZINC001258511606 807481785 /nfs/dbraw/zinc/48/17/85/807481785.db2.gz IIJVGUUCEUNJLQ-UHFFFAOYSA-N 0 3 271.408 3.281 20 30 CGEDHN CC1(C#N)CCN([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168737599 807499691 /nfs/dbraw/zinc/49/96/91/807499691.db2.gz APMZCRWXVOSIJM-CYBMUJFWSA-N 0 3 274.795 3.433 20 30 CGEDHN C=CCC[C@H](C)n1nc(CN)c2cc(OC)ccc21 ZINC001258723644 807572339 /nfs/dbraw/zinc/57/23/39/807572339.db2.gz BFNQMXDFLZZWRX-NSHDSACASA-N 0 3 259.353 3.031 20 30 CGEDHN C=CCC[C@@H](C)N1CCc2cccc(C(=O)OC)c2C1 ZINC001258732820 807579534 /nfs/dbraw/zinc/57/95/34/807579534.db2.gz CENYMVUKVOTFQK-CYBMUJFWSA-N 0 3 273.376 3.186 20 30 CGEDHN C[C@@H](Cc1cccc(Cl)c1)NC(=N)c1ccc(F)cn1 ZINC001258737547 807583705 /nfs/dbraw/zinc/58/37/05/807583705.db2.gz GIDYKFZOSPYXMZ-JTQLQIEISA-N 0 3 291.757 3.211 20 30 CGEDHN C=C(C)c1ccc(N2CCCc3ccc(CN)nc32)nc1 ZINC001169590526 807671775 /nfs/dbraw/zinc/67/17/75/807671775.db2.gz PGWLNQGSRONMQJ-UHFFFAOYSA-N 0 3 280.375 3.053 20 30 CGEDHN N#CC1(c2ccccc2)CCC(N2CC[C@H](F)C2)CC1 ZINC001170379415 807833261 /nfs/dbraw/zinc/83/32/61/807833261.db2.gz XOLIVBQGCQBERJ-GTPINHCMSA-N 0 3 272.367 3.434 20 30 CGEDHN CC[C@@H](Cc1ccc2c(c1)OCO2)NCC1(C#N)CCC1 ZINC001170405338 807835859 /nfs/dbraw/zinc/83/58/59/807835859.db2.gz MKYYXUWDPQKZHM-AWEZNQCLSA-N 0 3 286.375 3.020 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1nc(C)cs1 ZINC001263093788 807933196 /nfs/dbraw/zinc/93/31/96/807933196.db2.gz LLLLPNPSDUREKD-CYBMUJFWSA-N 0 3 297.468 3.146 20 30 CGEDHN Cc1cccc2c1CC[C@H](NCC1(C#N)CCC1)C2 ZINC001171548476 808089644 /nfs/dbraw/zinc/08/96/44/808089644.db2.gz BGTCMVQHYQAKIA-HNNXBMFYSA-N 0 3 254.377 3.136 20 30 CGEDHN C=CC1(CC(=O)N[C@H]2CCN(CCCF)C2)CCCCC1 ZINC001265308079 808128401 /nfs/dbraw/zinc/12/84/01/808128401.db2.gz LLVRIOIAIPLCIN-HNNXBMFYSA-N 0 3 296.430 3.063 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001265402918 808139876 /nfs/dbraw/zinc/13/98/76/808139876.db2.gz ZYUIDEGEGBLEGW-IYBDPMFKSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001265503109 808149435 /nfs/dbraw/zinc/14/94/35/808149435.db2.gz JDOVIPPEYCHOCB-MRVWCRGKSA-N 0 3 286.847 3.048 20 30 CGEDHN CC#CCN[C@H](C)CNC(=O)[C@H](CCC)CC1CCCC1 ZINC001265832356 808186599 /nfs/dbraw/zinc/18/65/99/808186599.db2.gz HRRNRGXKOPAJBH-NVXWUHKLSA-N 0 3 292.467 3.101 20 30 CGEDHN CC1(C#N)CCN([C@H]2CSc3ccccc3C2)CC1 ZINC001172205666 808198732 /nfs/dbraw/zinc/19/87/32/808198732.db2.gz JKJACSQHCRFEPP-CQSZACIVSA-N 0 3 272.417 3.329 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](C)c1nccs1 ZINC001172302909 808221544 /nfs/dbraw/zinc/22/15/44/808221544.db2.gz SFYYXJXIRSCMOZ-RYUDHWBXSA-N 0 3 271.389 3.297 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001266343880 808245473 /nfs/dbraw/zinc/24/54/73/808245473.db2.gz AMIFIZJDJZTCFF-GJZGRUSLSA-N 0 3 280.456 3.215 20 30 CGEDHN COc1cccc2c1CN([C@H](C)CCCC#N)CC2 ZINC001172491383 808351479 /nfs/dbraw/zinc/35/14/79/808351479.db2.gz DZQPZZFRBSLRRG-CYBMUJFWSA-N 0 3 258.365 3.136 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CC=C(C)C)C1 ZINC001267628050 808460546 /nfs/dbraw/zinc/46/05/46/808460546.db2.gz MPRZALLRDQWBQC-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1CC ZINC001268254232 808569751 /nfs/dbraw/zinc/56/97/51/808569751.db2.gz MFEQYVFWLSDSMD-HZPDHXFCSA-N 0 3 280.456 3.169 20 30 CGEDHN CCCCCCCC[C@H](CCC)N1CCO[C@@H](C(N)=O)C1 ZINC001173309699 808606120 /nfs/dbraw/zinc/60/61/20/808606120.db2.gz JSAPXVPIVGQTSB-JKSUJKDBSA-N 0 3 298.471 3.092 20 30 CGEDHN C=CCOC1CCC(N[C@@H](C)c2cscn2)CC1 ZINC001173312971 808607400 /nfs/dbraw/zinc/60/74/00/808607400.db2.gz OQGAMGIKYYFNMX-HIFPTAJRSA-N 0 3 266.410 3.308 20 30 CGEDHN C=CCOC1CCC(N2CCc3occc3C2)CC1 ZINC001173326571 808612644 /nfs/dbraw/zinc/61/26/44/808612644.db2.gz KYOBBJVPOXPKIN-UHFFFAOYSA-N 0 3 261.365 3.152 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001268898929 808635422 /nfs/dbraw/zinc/63/54/22/808635422.db2.gz OBLHEAXCKFPIIJ-GJZGRUSLSA-N 0 3 298.858 3.003 20 30 CGEDHN Cc1ccc(F)c(CNC2CCC(C)(C#N)CC2)n1 ZINC001173589367 808647526 /nfs/dbraw/zinc/64/75/26/808647526.db2.gz WAIDIEDTYRODIV-UHFFFAOYSA-N 0 3 261.344 3.091 20 30 CGEDHN CC1(C#N)CCC(N2CCOC[C@H]2Cc2ccccc2)CC1 ZINC001173601218 808652662 /nfs/dbraw/zinc/65/26/62/808652662.db2.gz QFSCWBSPJVVGFQ-JLAWEPINSA-N 0 3 298.430 3.402 20 30 CGEDHN CN(C)Cc1ccccc1Nc1sccc1C#N ZINC001173929220 808768122 /nfs/dbraw/zinc/76/81/22/808768122.db2.gz LOZKIEJQSXMCRS-UHFFFAOYSA-N 0 3 257.362 3.425 20 30 CGEDHN CN(C)Cc1ccccc1Nc1nc(Cl)ccc1C#N ZINC001173929640 808768338 /nfs/dbraw/zinc/76/83/38/808768338.db2.gz GCWWQOCZTNQMOT-UHFFFAOYSA-N 0 3 286.766 3.412 20 30 CGEDHN C#Cc1ccc(NC2=CCCN(Cc3ccccc3)C2)cn1 ZINC001174394167 808992275 /nfs/dbraw/zinc/99/22/75/808992275.db2.gz DHLKRHIIZQTNME-UHFFFAOYSA-N 0 3 289.382 3.265 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001276299011 809000215 /nfs/dbraw/zinc/00/02/15/809000215.db2.gz FOWNCNQSHGGYLJ-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001276892337 809041783 /nfs/dbraw/zinc/04/17/83/809041783.db2.gz QJZGGBNDWMXSRL-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001276893051 809042561 /nfs/dbraw/zinc/04/25/61/809042561.db2.gz WNDGGKHDQSAVGA-JFIYKMOQSA-N 0 3 292.467 3.338 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001278094651 809114799 /nfs/dbraw/zinc/11/47/99/809114799.db2.gz LVZGKXJADPQFTE-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CC(C)C ZINC001279585789 809176356 /nfs/dbraw/zinc/17/63/56/809176356.db2.gz DDGHGUZGOHURNF-IXDOHACOSA-N 0 3 292.467 3.310 20 30 CGEDHN CC#CCNC1(CNC(=O)C(C)(C)CC(C)(C)C)CCC1 ZINC001280546413 809194940 /nfs/dbraw/zinc/19/49/40/809194940.db2.gz ZXJFPADWBHVPDJ-UHFFFAOYSA-N 0 3 292.467 3.101 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccccc1F ZINC001282133093 809232969 /nfs/dbraw/zinc/23/29/69/809232969.db2.gz JOPLYRUUYINEMS-ZIAGYGMSSA-N 0 3 292.398 3.165 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCCC)C[C@@H]2C1 ZINC001282938039 809266806 /nfs/dbraw/zinc/26/68/06/809266806.db2.gz JBSHEJRWKGTECJ-ZNMIVQPWSA-N 0 3 298.858 3.146 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C1CCC=CCC1 ZINC001283278038 809274187 /nfs/dbraw/zinc/27/41/87/809274187.db2.gz GXAJACNGOMYUTE-AWEZNQCLSA-N 0 3 298.858 3.360 20 30 CGEDHN N#Cc1ccncc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175504446 809432986 /nfs/dbraw/zinc/43/29/86/809432986.db2.gz BLZAUHVGKRQOFY-UHFFFAOYSA-N 0 3 290.370 3.155 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1ccccc1 ZINC001297380512 809515921 /nfs/dbraw/zinc/51/59/21/809515921.db2.gz ZWSQSFYALAAZQI-MRXNPFEDSA-N 0 3 288.435 3.147 20 30 CGEDHN C=CCNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC001177148261 809783615 /nfs/dbraw/zinc/78/36/15/809783615.db2.gz BHTVLFKMPYLHAN-UHFFFAOYSA-N 0 3 258.296 3.289 20 30 CGEDHN CC(C)C1(CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC001179845854 809950568 /nfs/dbraw/zinc/95/05/68/809950568.db2.gz YCLHXMHKCVHPQY-GOSISDBHSA-N 0 3 297.446 3.305 20 30 CGEDHN CC(C)[C@H]1CCCN(Cc2cccc(C#N)n2)CC1 ZINC001179931686 809959618 /nfs/dbraw/zinc/95/96/18/809959618.db2.gz PZQCQCDQPCZJMB-AWEZNQCLSA-N 0 3 257.381 3.211 20 30 CGEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC001181511008 810056754 /nfs/dbraw/zinc/05/67/54/810056754.db2.gz FWZKOIXPIOCSPN-LLVKDONJSA-N 0 3 298.839 3.058 20 30 CGEDHN C[C@@H](CCc1ccc(F)cc1)NCC1(C#N)CCOCC1 ZINC001184279097 810188376 /nfs/dbraw/zinc/18/83/76/810188376.db2.gz XEYILYWVUWQOCZ-AWEZNQCLSA-N 0 3 290.382 3.057 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCCC(C)(C)C)[C@@H]2C1 ZINC001187996957 810440888 /nfs/dbraw/zinc/44/08/88/810440888.db2.gz KSLLFTNBYOCZHR-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCC[C@@H](C)CC)[C@@H]2C1 ZINC001188044141 810445604 /nfs/dbraw/zinc/44/56/04/810445604.db2.gz VKCGZXOGQMJUAK-YESZJQIVSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCC(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001189280053 810553812 /nfs/dbraw/zinc/55/38/12/810553812.db2.gz PUYQBIFQBVDOBU-VEGGFIAOSA-N 0 3 298.430 3.199 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(CC(=C)C)cc1 ZINC001190233346 810613274 /nfs/dbraw/zinc/61/32/74/810613274.db2.gz RKECTMDLQXQNCX-SFHVURJKSA-N 0 3 298.430 3.185 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(Oc2ccccc2)CC1 ZINC001190503618 810631875 /nfs/dbraw/zinc/63/18/75/810631875.db2.gz VCQGJKGAIJMPNC-OAHLLOKOSA-N 0 3 257.377 3.332 20 30 CGEDHN CCCCCCCCNC(=O)N[C@]1(C)CCCN(C)C1 ZINC001191081299 810672259 /nfs/dbraw/zinc/67/22/59/810672259.db2.gz KVVMJYQBCOUIPG-MRXNPFEDSA-N 0 3 283.460 3.130 20 30 CGEDHN C#CCCCCCCN1CCN(c2cc(C)ccn2)CC1 ZINC001191539812 810723374 /nfs/dbraw/zinc/72/33/74/810723374.db2.gz GTFPFMVHJYFZGI-UHFFFAOYSA-N 0 3 285.435 3.096 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1CCCN(CC)CC1 ZINC001192920156 810829336 /nfs/dbraw/zinc/82/93/36/810829336.db2.gz VJPMMHJXBOXICP-INIZCTEOSA-N 0 3 297.487 3.473 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1CCN2CCC1CC2 ZINC001192931255 810829921 /nfs/dbraw/zinc/82/99/21/810829921.db2.gz LAGJXQSONWHNHP-HNNXBMFYSA-N 0 3 295.471 3.225 20 30 CGEDHN CC(C)[C@@H](CC(F)(F)F)NCc1cc(C#N)ccn1 ZINC001193509033 810899851 /nfs/dbraw/zinc/89/98/51/810899851.db2.gz TYSPGTHVCXBVMG-GFCCVEGCSA-N 0 3 271.286 3.020 20 30 CGEDHN N#Cc1ccnc(CN2CCCC3(CCCC3)C2)c1 ZINC001193517419 810902245 /nfs/dbraw/zinc/90/22/45/810902245.db2.gz SLTLJHUHKADHKX-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN CCCCCCCOC(=O)NCCN1CCCCC1 ZINC001193985616 810995156 /nfs/dbraw/zinc/99/51/56/810995156.db2.gz JGYGTDAVQIGWRR-UHFFFAOYSA-N 0 3 270.417 3.169 20 30 CGEDHN CCCCCCCCOC(=O)NC1CCN(C)CC1 ZINC001194730554 811119975 /nfs/dbraw/zinc/11/99/75/811119975.db2.gz RGZUWVFDECIABI-UHFFFAOYSA-N 0 3 270.417 3.167 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2cc(C)cs2)CC1 ZINC001195728049 811281771 /nfs/dbraw/zinc/28/17/71/811281771.db2.gz SMPXMHZPSCWGFN-UHFFFAOYSA-N 0 3 292.448 3.171 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCCN(CC/C=C\CC)CC2)C1 ZINC001197102632 811399172 /nfs/dbraw/zinc/39/91/72/811399172.db2.gz UVKHUXIXHKIAFW-WAYWQWQTSA-N 0 3 290.451 3.233 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001197291387 811411652 /nfs/dbraw/zinc/41/16/52/811411652.db2.gz BZUKKLVLECBZKE-BQYQJAHWSA-N 0 3 292.467 3.479 20 30 CGEDHN C=CCCC[C@H](C)NCc1cn(-c2ccccc2)nn1 ZINC001201653589 811932660 /nfs/dbraw/zinc/93/26/60/811932660.db2.gz AOEVZZVGPXMLGD-AWEZNQCLSA-N 0 3 270.380 3.102 20 30 CGEDHN CCCCCCCCCN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001201840049 811969505 /nfs/dbraw/zinc/96/95/05/811969505.db2.gz SGBUTFMWVJQDQH-YESZJQIVSA-N 0 3 283.456 3.209 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H]3CCC[C@H]3C2)ccc1F ZINC001205459203 812986940 /nfs/dbraw/zinc/98/69/40/812986940.db2.gz HILQBVJVDZNPPP-KBPBESRZSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCCCCNCc1nc(Br)cs1 ZINC001205472280 812990280 /nfs/dbraw/zinc/99/02/80/812990280.db2.gz ZVYSRJGMBSWAJA-UHFFFAOYSA-N 0 3 275.215 3.352 20 30 CGEDHN C[C@H](c1ccccn1)N1CCC[C@H](OCCCCC#N)C1 ZINC001205672098 813047963 /nfs/dbraw/zinc/04/79/63/813047963.db2.gz HWGNXQUEOOSMKM-CVEARBPZSA-N 0 3 287.407 3.317 20 30 CGEDHN C#C[C@H](CC)NCc1cc2ccccc2c(OC)c1 ZINC001205713959 813058789 /nfs/dbraw/zinc/05/87/89/813058789.db2.gz NLXHMWUPSMGBMD-OAHLLOKOSA-N 0 3 253.345 3.350 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(O)cc(Cl)c2)C1 ZINC001206799398 813440019 /nfs/dbraw/zinc/44/00/19/813440019.db2.gz FDCBRNNUSGFWPS-NSHDSACASA-N 0 3 251.757 3.444 20 30 CGEDHN C=CCCCCCCCCCN1CCN(C2COC2)CC1 ZINC001207895763 813666276 /nfs/dbraw/zinc/66/62/76/813666276.db2.gz DFBLRCUMVXTURT-UHFFFAOYSA-N 0 3 294.483 3.310 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CC(N3CCCC3)C2)CC1 ZINC001208176147 813726926 /nfs/dbraw/zinc/72/69/26/813726926.db2.gz BLNIEYNRGNVILY-MRXNPFEDSA-N 0 3 260.425 3.069 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)CCC1 ZINC001208506627 813765159 /nfs/dbraw/zinc/76/51/59/813765159.db2.gz KDFCVNCRNCULNC-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN N#Cc1ccccc1O[C@H]1CCCN(C[C@@H]2CCC=CO2)C1 ZINC001208880850 813878264 /nfs/dbraw/zinc/87/82/64/813878264.db2.gz PSYPQIVYVNFQDO-IRXDYDNUSA-N 0 3 298.386 3.094 20 30 CGEDHN COCOCCCN(CCC#N)C1CCCCCCC1 ZINC001209025520 813917909 /nfs/dbraw/zinc/91/79/09/813917909.db2.gz FRIAYCRUYBBKSQ-UHFFFAOYSA-N 0 3 282.428 3.326 20 30 CGEDHN C=CCCCN1CCN(c2nsc3ccccc32)CC1 ZINC001209158173 813950560 /nfs/dbraw/zinc/95/05/60/813950560.db2.gz LSOUQTJBIAXQJK-UHFFFAOYSA-N 0 3 287.432 3.385 20 30 CGEDHN C=CCCCCN1CCN(Cc2cccc(OC)c2)CC1 ZINC001209205024 813967350 /nfs/dbraw/zinc/96/73/50/813967350.db2.gz OVANQBMRJJXABZ-UHFFFAOYSA-N 0 3 288.435 3.169 20 30 CGEDHN C#CCCCN(C)Cc1cccc(Br)c1F ZINC001209266529 813988925 /nfs/dbraw/zinc/98/89/25/813988925.db2.gz VSCJHFILIVWHAQ-UHFFFAOYSA-N 0 3 284.172 3.433 20 30 CGEDHN C=CCCCCCCCN1CCOC2(CCOCC2)C1 ZINC001209441817 814042075 /nfs/dbraw/zinc/04/20/75/814042075.db2.gz KNJUIHJKHVWMPV-UHFFFAOYSA-N 0 3 281.440 3.394 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001211211948 814850641 /nfs/dbraw/zinc/85/06/41/814850641.db2.gz MYMQIFZICZYKAQ-OWCLPIDISA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CN(CC(=C)C)C[C@H]2C)CCCC1 ZINC001211492650 814896099 /nfs/dbraw/zinc/89/60/99/814896099.db2.gz HSUOTMGXRDAPDQ-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN F[C@@H]1CNCC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217793867 815964237 /nfs/dbraw/zinc/96/42/37/815964237.db2.gz HGVMLOLRNJNZQV-FBCYZVNJSA-N 0 3 298.361 3.482 20 30 CGEDHN N#Cc1ccc(-c2cccc(O[C@H]3CCNC[C@@H]3F)c2)cc1 ZINC001218072236 816087600 /nfs/dbraw/zinc/08/76/00/816087600.db2.gz QZJUBMHHWVJFBQ-ROUUACIJSA-N 0 3 296.345 3.304 20 30 CGEDHN CC(C)(C)c1cc(C#N)ccc1O[C@@H]1CNCCC1(F)F ZINC001218447880 816217706 /nfs/dbraw/zinc/21/77/06/816217706.db2.gz MANOVWCIKCKUAA-CQSZACIVSA-N 0 3 294.345 3.232 20 30 CGEDHN Cc1ccc(C#N)cc1O[C@@H]1CNCc2ccccc21 ZINC001218485343 816240963 /nfs/dbraw/zinc/24/09/63/816240963.db2.gz IACOPWPYEGAIAG-QGZVFWFLSA-N 0 3 264.328 3.090 20 30 CGEDHN Cc1cc(O[C@H]2CNCc3ccccc32)cc(C)c1C#N ZINC001218486687 816241785 /nfs/dbraw/zinc/24/17/85/816241785.db2.gz QHLYTXQJRMLQDE-SFHVURJKSA-N 0 3 278.355 3.398 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(O)cc(Cl)c1 ZINC001218981349 816259475 /nfs/dbraw/zinc/25/94/75/816259475.db2.gz DBSRYKJEXZWISX-AWEZNQCLSA-N 0 3 296.798 3.448 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NCCC1=CCCCC1 ZINC001220254833 816286397 /nfs/dbraw/zinc/28/63/97/816286397.db2.gz ZKNYLWXXFUKGEC-INIZCTEOSA-N 0 3 278.440 3.457 20 30 CGEDHN C[NH2+]Cc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001242998088 823205079 /nfs/dbraw/zinc/20/50/79/823205079.db2.gz COKWEZPNIZYWHY-VCHYOVAHSA-N 0 3 258.296 3.020 20 30 CGEDHN C=CCCCCO[C@H]1COCCN(Cc2ccccc2)C1 ZINC001224335754 816780902 /nfs/dbraw/zinc/78/09/02/816780902.db2.gz WMSLTCRWSHNXST-GOSISDBHSA-N 0 3 289.419 3.260 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)C ZINC001224826187 816890752 /nfs/dbraw/zinc/89/07/52/816890752.db2.gz HLFGDCRUWUIXBM-CHWSQXEVSA-N 0 3 286.847 3.192 20 30 CGEDHN CC(C)N1CC[C@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225727361 817158256 /nfs/dbraw/zinc/15/82/56/817158256.db2.gz OYGIDTVNSGRKQW-LBPRGKRZSA-N 0 3 264.756 3.073 20 30 CGEDHN CC(C)N1CCC[C@@H](Oc2nc(C3CC3)ccc2C#N)C1 ZINC001226263672 817315499 /nfs/dbraw/zinc/31/54/99/817315499.db2.gz FGMJOUHISJUHPW-OAHLLOKOSA-N 0 3 285.391 3.082 20 30 CGEDHN CC(C)c1ccc(C#N)c(O[C@@H]2CCCN(C(C)C)C2)n1 ZINC001226354706 817334048 /nfs/dbraw/zinc/33/40/48/817334048.db2.gz ZMOFMBKHFKADSN-OAHLLOKOSA-N 0 3 287.407 3.328 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCC1CC1 ZINC001231350652 818082278 /nfs/dbraw/zinc/08/22/78/818082278.db2.gz UBLOQNYBSNCJAE-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN(C)Cc1ccc(OCCCOC)c(OCC)c1 ZINC001231547360 818124735 /nfs/dbraw/zinc/12/47/35/818124735.db2.gz BYMNFXGKLFJMPE-UHFFFAOYSA-N 0 3 293.407 3.118 20 30 CGEDHN O[C@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577561 818125767 /nfs/dbraw/zinc/12/57/67/818125767.db2.gz XKPPZCIBEWASMU-FQEVSTJZSA-N 0 3 291.394 3.043 20 30 CGEDHN Cc1cccc(CN2CCc3ccc(C#N)cc3C2)c1O ZINC001231591310 818131302 /nfs/dbraw/zinc/13/13/02/818131302.db2.gz AIMGVGXAAXKDGD-UHFFFAOYSA-N 0 3 278.355 3.131 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001231657329 818150695 /nfs/dbraw/zinc/15/06/95/818150695.db2.gz IYKAANBYEWIUPS-AWEZNQCLSA-N 0 3 285.284 3.392 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(N(C)C)cc1OC ZINC001231854466 818188666 /nfs/dbraw/zinc/18/86/66/818188666.db2.gz HIXVZIMKOBXXMY-UHFFFAOYSA-N 0 3 262.397 3.159 20 30 CGEDHN CC(C)(C)N1CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115557 818260437 /nfs/dbraw/zinc/26/04/37/818260437.db2.gz UMJLFMQLFSVARN-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cc3cccnc3s2)C1 ZINC001233348173 818592511 /nfs/dbraw/zinc/59/25/11/818592511.db2.gz QKIOULGFSQOIRJ-LBPRGKRZSA-N 0 3 271.389 3.422 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233531449 818635175 /nfs/dbraw/zinc/63/51/75/818635175.db2.gz ZFVBWYLMBZGAEQ-DOTOQJQBSA-N 0 3 292.467 3.312 20 30 CGEDHN CN1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233733238 818692797 /nfs/dbraw/zinc/69/27/97/818692797.db2.gz ZMQFKSTXTCUCCU-GFCCVEGCSA-N 0 3 284.281 3.050 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234170027 818797350 /nfs/dbraw/zinc/79/73/50/818797350.db2.gz HLKNNXNXCBBJGV-QGZVFWFLSA-N 0 3 292.467 3.149 20 30 CGEDHN CCCCCCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234215646 818802840 /nfs/dbraw/zinc/80/28/40/818802840.db2.gz NZPNXEPVJVITNO-INIZCTEOSA-N 0 3 292.467 3.149 20 30 CGEDHN C[C@H](C#C[Si](C)(C)C)Oc1cccc2c1CCN(C)C2 ZINC001234424048 818852266 /nfs/dbraw/zinc/85/22/66/818852266.db2.gz NZYBPTWRMAQZGL-CQSZACIVSA-N 0 3 287.479 3.323 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235437385 819100424 /nfs/dbraw/zinc/10/04/24/819100424.db2.gz FWSQSPWBUZNVSF-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN N#Cc1ncc(-c2cccc(CN3CCCCC3)c2F)cn1 ZINC001236010466 819273635 /nfs/dbraw/zinc/27/36/35/819273635.db2.gz AJIDPNVFAXIUTI-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN CCc1ccc(CN2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001236783054 819593443 /nfs/dbraw/zinc/59/34/43/819593443.db2.gz HNTOFQIWZIYTJN-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236915873 819636778 /nfs/dbraw/zinc/63/67/78/819636778.db2.gz GBOBGKXCIKWWEF-AWEZNQCLSA-N 0 3 299.805 3.371 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237088011 819663960 /nfs/dbraw/zinc/66/39/60/819663960.db2.gz ALJDVZZYXRCSCC-HNNXBMFYSA-N 0 3 286.394 3.271 20 30 CGEDHN SC1CCN(Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237463786 819756830 /nfs/dbraw/zinc/75/68/30/819756830.db2.gz ZFXCAFKOWGWHNM-UHFFFAOYSA-N 0 3 281.812 3.111 20 30 CGEDHN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CCC[C@@]1(C)O ZINC001237747438 819836477 /nfs/dbraw/zinc/83/64/77/819836477.db2.gz WLJKJMNRVXNNHH-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN C=CCCCCN(C)Cc1ncc(C)c(OC)c1C ZINC001238175722 819947920 /nfs/dbraw/zinc/94/79/20/819947920.db2.gz XQBROYRQKQOBQU-UHFFFAOYSA-N 0 3 262.397 3.495 20 30 CGEDHN C[C@H]1CN(Cc2ccc(Cl)c(C#N)c2)CCC[C@@]1(C)O ZINC001238188398 819951376 /nfs/dbraw/zinc/95/13/76/819951376.db2.gz CNVYDYAFJRPHQB-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(Cl)c(C#N)c2)CCC[C@]1(C)O ZINC001238188401 819951494 /nfs/dbraw/zinc/95/14/94/819951494.db2.gz CNVYDYAFJRPHQB-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN CCc1cc(CN2CCC(CF)CC2)ccc1C#N ZINC001238779627 820116594 /nfs/dbraw/zinc/11/65/94/820116594.db2.gz XGKZFIKEBCQCIY-UHFFFAOYSA-N 0 3 260.356 3.302 20 30 CGEDHN CCCCCCCCCNC(=S)N1CCNC(C)(C)C1 ZINC001239439295 820306251 /nfs/dbraw/zinc/30/62/51/820306251.db2.gz SNMKGITVBBKWOA-UHFFFAOYSA-N 0 3 299.528 3.295 20 30 CGEDHN N#Cc1ccnc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240385500 821008787 /nfs/dbraw/zinc/00/87/87/821008787.db2.gz VZCMADROZGYXJO-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN CCCSC[C@H](C)NCc1cc(C#N)ccc1F ZINC001335042021 936126719 /nfs/dbraw/zinc/12/67/19/936126719.db2.gz NKUGLSZIKOXBPN-NSHDSACASA-N 0 3 266.385 3.319 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001340449445 936404947 /nfs/dbraw/zinc/40/49/47/936404947.db2.gz DHYRIHXAZPIKAA-GXTWGEPZSA-N 0 3 286.375 3.294 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC001340918977 936419428 /nfs/dbraw/zinc/41/94/28/936419428.db2.gz XKNWEMSGQJPGPS-AWEZNQCLSA-N 0 3 276.355 3.325 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC001342163115 936461060 /nfs/dbraw/zinc/46/10/60/936461060.db2.gz BXVJVNUJUNWNRS-GDBMZVCRSA-N 0 3 293.370 3.107 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC001342279627 936463907 /nfs/dbraw/zinc/46/39/07/936463907.db2.gz VUCRWHKCJAZQAY-GDBMZVCRSA-N 0 3 293.370 3.107 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCCC1CCC(F)(F)CC1 ZINC001342928153 936484545 /nfs/dbraw/zinc/48/45/45/936484545.db2.gz YBLPKXXUGANIQX-ZDUSSCGKSA-N 0 3 288.382 3.002 20 30 CGEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC(=O)CC1 ZINC001343842010 936514911 /nfs/dbraw/zinc/51/49/11/936514911.db2.gz IRSGKUFOJHBIIN-GFCCVEGCSA-N 0 3 296.326 3.153 20 30 CGEDHN CC(C)C[C@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346762020 936860460 /nfs/dbraw/zinc/86/04/60/936860460.db2.gz CKCYFKBBHNTWPG-GXSJLCMTSA-N 0 3 266.291 3.218 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCCCCC(C)=O ZINC001349701251 936958438 /nfs/dbraw/zinc/95/84/38/936958438.db2.gz BDELQHJWLNSPRF-CQSZACIVSA-N 0 3 289.379 3.009 20 30 CGEDHN C=C[C@@H](COC)NCc1cc2ccnc(Cl)c2s1 ZINC001350857491 937001746 /nfs/dbraw/zinc/00/17/46/937001746.db2.gz MTYMKGZYBKHPAV-JTQLQIEISA-N 0 3 282.796 3.240 20 30 CGEDHN C=CCCC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC001353146466 937058745 /nfs/dbraw/zinc/05/87/45/937058745.db2.gz NCHYECOIBXXXQR-IAGOWNOFSA-N 0 3 299.418 3.221 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1NCCC ZINC001353678216 937074613 /nfs/dbraw/zinc/07/46/13/937074613.db2.gz LUOXIQVNBXSCAF-CYBMUJFWSA-N 0 3 275.396 3.131 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001345646282 926694812 /nfs/dbraw/zinc/69/48/12/926694812.db2.gz IVCZRJYBDRSMSE-CJNGLKHVSA-N 0 3 271.364 3.216 20 30 CGEDHN C=CCN(CCNC(=O)c1sccc1C1CC1)C1CC1 ZINC001481197495 926905611 /nfs/dbraw/zinc/90/56/11/926905611.db2.gz GVPBLBVRGQCKRN-UHFFFAOYSA-N 0 3 290.432 3.006 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001481539221 927021441 /nfs/dbraw/zinc/02/14/41/927021441.db2.gz JZGTVURKLKIZJG-CVEARBPZSA-N 0 3 280.456 3.215 20 30 CGEDHN C/C=C\COc1ccc(CC[C@@H](C)NCCC#N)cc1 ZINC000426001291 927111393 /nfs/dbraw/zinc/11/13/93/927111393.db2.gz KNQJUHQFBANPIK-ABCZVMIZSA-N 0 3 272.392 3.466 20 30 CGEDHN C=CCCCC(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001482328065 927219173 /nfs/dbraw/zinc/21/91/73/927219173.db2.gz YJAPIOWSTLUCEI-CQSZACIVSA-N 0 3 292.398 3.119 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)=C1CCCC1 ZINC001483459952 927512265 /nfs/dbraw/zinc/51/22/65/927512265.db2.gz JMCPYSSNFAQHDN-UHFFFAOYSA-N 0 3 284.831 3.068 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1c(F)cccc1NC1CC1 ZINC001357490549 937173029 /nfs/dbraw/zinc/17/30/29/937173029.db2.gz GEKFKFJAZSWTAA-CYBMUJFWSA-N 0 3 291.370 3.022 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC001483690269 927576670 /nfs/dbraw/zinc/57/66/70/927576670.db2.gz XDELBCBDJLJBHQ-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001484169685 927687977 /nfs/dbraw/zinc/68/79/77/927687977.db2.gz ZHIQEELVTHABBV-SJLPKXTDSA-N 0 3 290.451 3.137 20 30 CGEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CCC(=C)C ZINC001484554440 927720851 /nfs/dbraw/zinc/72/08/51/927720851.db2.gz VWBVGLDNSFZYKY-UHFFFAOYSA-N 0 3 298.430 3.114 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001484721250 927744241 /nfs/dbraw/zinc/74/42/41/927744241.db2.gz DUJBHKKKGRJPDE-OAUONFCTSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001484721251 927744582 /nfs/dbraw/zinc/74/45/82/927744582.db2.gz DUJBHKKKGRJPDE-XYYIANASSA-N 0 3 298.858 3.312 20 30 CGEDHN C#CCN(CCSc1cccc(OC)c1)C(C)C ZINC001198027435 928270756 /nfs/dbraw/zinc/27/07/56/928270756.db2.gz PPZRNMXPGHSAOW-UHFFFAOYSA-N 0 3 263.406 3.131 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001488786745 928300414 /nfs/dbraw/zinc/30/04/14/928300414.db2.gz WVQSTJDUTSCFFZ-OKILXGFUSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)CCCC ZINC001489321013 928327115 /nfs/dbraw/zinc/32/71/15/928327115.db2.gz XRUADVIOTOHADL-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001489343442 928330188 /nfs/dbraw/zinc/33/01/88/928330188.db2.gz GLFHFXXNXDVPIR-MRZGDXHCSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H](C)CC)CC1 ZINC001490615267 928378161 /nfs/dbraw/zinc/37/81/61/928378161.db2.gz PUXQZJYIUITQQR-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001439848473 937322068 /nfs/dbraw/zinc/32/20/68/937322068.db2.gz SJYUYTVSTPBDQP-RHSMWYFYSA-N 0 3 296.430 3.156 20 30 CGEDHN C[C@H](c1ccco1)N(C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459722244 937497391 /nfs/dbraw/zinc/49/73/91/937497391.db2.gz YEIDZWRMXKKQGH-CXAGYDPISA-N 0 3 296.370 3.410 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H]1CC2(CCC2)CO1 ZINC001459829979 937502737 /nfs/dbraw/zinc/50/27/37/937502737.db2.gz HNPYLJOMRMTNKV-MRXNPFEDSA-N 0 3 275.392 3.269 20 30 CGEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC ZINC001459925887 937506466 /nfs/dbraw/zinc/50/64/66/937506466.db2.gz BETOLFWJIYWPSN-AWEZNQCLSA-N 0 3 282.428 3.284 20 30 CGEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC001460195696 937520288 /nfs/dbraw/zinc/52/02/88/937520288.db2.gz INOPLVVUEXCMEI-INIZCTEOSA-N 0 3 294.439 3.476 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC4CCC3CC4)c2c1 ZINC001140115274 931956003 /nfs/dbraw/zinc/95/60/03/931956003.db2.gz SQIOQOWRMYSNLM-UHFFFAOYSA-N 0 3 265.360 3.414 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@H](Cc2nc(C)cs2)C1 ZINC001460825534 937547422 /nfs/dbraw/zinc/54/74/22/937547422.db2.gz BNWTUSCEDLQKQQ-ZIAGYGMSSA-N 0 3 262.422 3.118 20 30 CGEDHN N#Cc1cc(F)ccc1CN[C@@H]1CCOCC12CCCC2 ZINC001460967734 937556291 /nfs/dbraw/zinc/55/62/91/937556291.db2.gz SWZVIMLLDOZWLB-MRXNPFEDSA-N 0 3 288.366 3.136 20 30 CGEDHN C[C@@H](CCC#N)N1CCO[C@@H](c2ccccc2)CC1 ZINC001460950752 937555400 /nfs/dbraw/zinc/55/54/00/937555400.db2.gz QVBXCFFPNLYZMZ-GOEBONIOSA-N 0 3 258.365 3.142 20 30 CGEDHN CNc1ccccc1CNCc1ccc(CC#N)cc1 ZINC001461610929 937588403 /nfs/dbraw/zinc/58/84/03/937588403.db2.gz WZWNSYUFJIPETC-UHFFFAOYSA-N 0 3 265.360 3.084 20 30 CGEDHN N#Cc1cc(CNCc2cccc3[nH]ccc32)cs1 ZINC001461701647 937593405 /nfs/dbraw/zinc/59/34/05/937593405.db2.gz IHXSQAAUAYKAQU-UHFFFAOYSA-N 0 3 267.357 3.391 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)NCc1cccc(F)c1 ZINC001491556314 932589728 /nfs/dbraw/zinc/58/97/28/932589728.db2.gz DKIMYGKNIHFCHC-KGLIPLIRSA-N 0 3 292.398 3.022 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000442827176 932691485 /nfs/dbraw/zinc/69/14/85/932691485.db2.gz NRNJNVCMUMKYGM-DZGCQCFKSA-N 0 3 292.304 3.339 20 30 CGEDHN COc1cccc(C(F)(F)F)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC001254643433 932725235 /nfs/dbraw/zinc/72/52/35/932725235.db2.gz OEFKWPLCHFWUSZ-MNOVXSKESA-N 0 3 298.308 3.496 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CCC2CC2)CCC1 ZINC001316607253 932746450 /nfs/dbraw/zinc/74/64/50/932746450.db2.gz ZWAOABXFMYIZTR-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C(C)(C)CC(C)C ZINC001317177512 932783647 /nfs/dbraw/zinc/78/36/47/932783647.db2.gz UZOAQZFOJKQNKP-MRXNPFEDSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001492373259 932814898 /nfs/dbraw/zinc/81/48/98/932814898.db2.gz FZVBRKSRTGEREQ-CYBMUJFWSA-N 0 3 292.398 3.147 20 30 CGEDHN CC1(C)CN(Cc2cccc(C#N)n2)CCc2ccccc21 ZINC001462421173 937640252 /nfs/dbraw/zinc/64/02/52/937640252.db2.gz NMAJSKHCNHJCJO-UHFFFAOYSA-N 0 3 291.398 3.289 20 30 CGEDHN C#CCN(CC)CCc1cc(Cl)cc(Cl)c1 ZINC001307513625 932962554 /nfs/dbraw/zinc/96/25/54/932962554.db2.gz MARSDUSQCULFCH-UHFFFAOYSA-N 0 3 256.176 3.491 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(Cl)cc2OC)C1 ZINC001308067700 933043333 /nfs/dbraw/zinc/04/33/33/933043333.db2.gz JAGFLWPYZQTYLP-GFCCVEGCSA-N 0 3 263.768 3.194 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1nn(C)cc1C ZINC001308434350 933110590 /nfs/dbraw/zinc/11/05/90/933110590.db2.gz KPMXRNRYBUMCOG-MRXNPFEDSA-N 0 3 269.392 3.006 20 30 CGEDHN C#CCC1(O)CCN(C/C=C/c2cc(C)c(C)cc2C)CC1 ZINC001308915907 933203400 /nfs/dbraw/zinc/20/34/00/933203400.db2.gz QXCYUJCQMRFGTI-VOTSOKGWSA-N 0 3 297.442 3.475 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccccc1 ZINC001329265734 933472032 /nfs/dbraw/zinc/47/20/32/933472032.db2.gz IEEFEZTVSZDKNY-UHFFFAOYSA-N 0 3 294.826 3.127 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001317002882 933511998 /nfs/dbraw/zinc/51/19/98/933511998.db2.gz QMFZRJJIUPVHIT-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CN(C)C[C@H](F)CC)C1 ZINC001317037474 933519532 /nfs/dbraw/zinc/51/95/32/933519532.db2.gz SYCGRJAIXHJZOA-JKSUJKDBSA-N 0 3 298.446 3.261 20 30 CGEDHN C#CCN1CCC[C@H](CNC(=O)CCCC[C@@H](C)CC)C1 ZINC001317133310 933537392 /nfs/dbraw/zinc/53/73/92/933537392.db2.gz YLRIZGKSGMTFET-DLBZAZTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001317511236 933606357 /nfs/dbraw/zinc/60/63/57/933606357.db2.gz XBWKZKTVAOCQOH-ZIAGYGMSSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CC1(CC(=O)N2CCC[C@@H]2CNCCF)CCCCC1 ZINC001319116083 933825876 /nfs/dbraw/zinc/82/58/76/933825876.db2.gz WPNIZQHAOJOTOP-OAHLLOKOSA-N 0 3 296.430 3.063 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1CC(C(C)(C)C)C1 ZINC001467728435 937721698 /nfs/dbraw/zinc/72/16/98/937721698.db2.gz JHZXQGAJUPJDKP-UHFFFAOYSA-N 0 3 280.456 3.025 20 30 CGEDHN C#CCN(Cc1cccc(OC(C)C)c1)CC1CC1 ZINC001319552248 933892378 /nfs/dbraw/zinc/89/23/78/933892378.db2.gz NFBOKDXLKIQTDO-UHFFFAOYSA-N 0 3 257.377 3.319 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC001320086646 933995123 /nfs/dbraw/zinc/99/51/23/933995123.db2.gz NSJKSAYRQYYUBE-MRXNPFEDSA-N 0 3 287.403 3.177 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001469921182 937745586 /nfs/dbraw/zinc/74/55/86/937745586.db2.gz SAYSSIOOEKJZQU-INIZCTEOSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCCC(=O)N[C@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001321468189 934186462 /nfs/dbraw/zinc/18/64/62/934186462.db2.gz FQRZIPCLUTYWQA-VXGBXAGGSA-N 0 3 296.361 3.086 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@@H](C)CC(C)(C)C ZINC001322248132 934263949 /nfs/dbraw/zinc/26/39/49/934263949.db2.gz IYZXTXDJTXWVLF-KGLIPLIRSA-N 0 3 268.445 3.071 20 30 CGEDHN C#CCN(Cc1ccc(OC(C)C)c(OC)c1)CC1CC1 ZINC001323330268 934385992 /nfs/dbraw/zinc/38/59/92/934385992.db2.gz GSBZPIDCLGCIKZ-UHFFFAOYSA-N 0 3 287.403 3.328 20 30 CGEDHN C=CCCCC(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001323525749 934405297 /nfs/dbraw/zinc/40/52/97/934405297.db2.gz QYUZMDIYPAGIKW-UHFFFAOYSA-N 0 3 286.419 3.090 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)CC2CCCCCC2)C1 ZINC001324655298 934540822 /nfs/dbraw/zinc/54/08/22/934540822.db2.gz AMMQLNDANYTJCH-KRWDZBQOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001324655496 934541008 /nfs/dbraw/zinc/54/10/08/934541008.db2.gz FJMKCFKBKHTRFR-RDJZCZTQSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCCN1CCO[C@H](Cc2ccccc2)C1 ZINC001473336277 937801886 /nfs/dbraw/zinc/80/18/86/937801886.db2.gz UBOOYBLRICGRFU-QGZVFWFLSA-N 0 3 259.393 3.286 20 30 CGEDHN C=C(C)CCN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001473397456 937804889 /nfs/dbraw/zinc/80/48/89/937804889.db2.gz WWZMTGBMOIMILN-GASCZTMLSA-N 0 3 294.439 3.426 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001473405812 937805717 /nfs/dbraw/zinc/80/57/17/937805717.db2.gz LSFXCEJYXYIEGO-CABCVRRESA-N 0 3 279.424 3.396 20 30 CGEDHN C#C[C@H]1CCCN(CCOc2ccccc2C(F)(F)F)C1 ZINC001473587855 937812753 /nfs/dbraw/zinc/81/27/53/937812753.db2.gz QQHXFBLGEJJNSG-ZDUSSCGKSA-N 0 3 297.320 3.429 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC001325619301 934920178 /nfs/dbraw/zinc/92/01/78/934920178.db2.gz BRKAFYCMDKYZOP-CMPLNLGQSA-N 0 3 269.772 3.200 20 30 CGEDHN CCOc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC001326241192 934962237 /nfs/dbraw/zinc/96/22/37/934962237.db2.gz WGBOAYJGQVOAMR-UKRRQHHQSA-N 0 3 288.391 3.218 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC001326707786 935000237 /nfs/dbraw/zinc/00/02/37/935000237.db2.gz LZXJUMBBEHIZIS-UHFFFAOYSA-N 0 3 261.325 3.087 20 30 CGEDHN N#Cc1ccc(CN2CCCSC[C@H]2C2CC2)s1 ZINC001333446211 935535437 /nfs/dbraw/zinc/53/54/37/935535437.db2.gz YBVVHSVDOVVJMX-AWEZNQCLSA-N 0 3 278.446 3.337 20 30 CGEDHN COc1cccc(CN2CCC(C)(C#N)CC2)c1C ZINC001335634522 936155530 /nfs/dbraw/zinc/15/55/30/936155530.db2.gz WDVMQOYDYVHPRQ-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN CC[C@H](Cc1ccc(F)cc1)NC[C@H](C#N)CCC#N ZINC001336795202 936218303 /nfs/dbraw/zinc/21/83/03/936218303.db2.gz SVBYEINRNCQELE-GOEBONIOSA-N 0 3 273.355 3.180 20 30 CGEDHN CCC#C[C@@H](C)N1CCCN(c2ccccc2OC)CC1 ZINC001473878645 937826522 /nfs/dbraw/zinc/82/65/22/937826522.db2.gz VGKAUDLBPULZRZ-MRXNPFEDSA-N 0 3 286.419 3.009 20 30 CGEDHN C=CC1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001474311401 937850283 /nfs/dbraw/zinc/85/02/83/937850283.db2.gz KPOLFRJDFHFYAH-UHFFFAOYSA-N 0 3 261.365 3.102 20 30 CGEDHN CCCCCCCCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC001477451340 937895623 /nfs/dbraw/zinc/89/56/23/937895623.db2.gz YFBKQFHYYXZTTB-INIZCTEOSA-N 0 3 297.487 3.473 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](CC)C(C)C ZINC001479261270 937918123 /nfs/dbraw/zinc/91/81/23/937918123.db2.gz RAJPZKLTCDTHNW-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001479270054 937918996 /nfs/dbraw/zinc/91/89/96/937918996.db2.gz KXLXSHIZANQERE-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)cc(C)c1 ZINC001480804470 937944421 /nfs/dbraw/zinc/94/44/21/937944421.db2.gz AUONOQWENBZRNU-AWEZNQCLSA-N 0 3 294.826 3.154 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CCC)[C@@H]1CCN(CC(=C)C)C1 ZINC001493963438 937952605 /nfs/dbraw/zinc/95/26/05/937952605.db2.gz XGTGSBNYUGUHMR-IAGOWNOFSA-N 0 3 292.467 3.478 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001494850936 937956762 /nfs/dbraw/zinc/95/67/62/937956762.db2.gz NMYRORKMHYJZRV-JKSUJKDBSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CC[C@H](C)C2)CCCC1 ZINC001495949848 937960763 /nfs/dbraw/zinc/96/07/63/937960763.db2.gz SQPRZRILVXJYCR-JSGCOSHPSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001496726567 937963913 /nfs/dbraw/zinc/96/39/13/937963913.db2.gz OWGAMIQEWLDRHH-MRXNPFEDSA-N 0 3 278.440 3.089 20 30 CGEDHN C=C(C)CCC(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001501737748 937980491 /nfs/dbraw/zinc/98/04/91/937980491.db2.gz YLJJDRSWEXHYDQ-OAHLLOKOSA-N 0 3 296.430 3.015 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001505430646 937985331 /nfs/dbraw/zinc/98/53/31/937985331.db2.gz GVJGFLXFIPCSFR-ARFHVFGLSA-N 0 3 292.467 3.168 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCCC1(C)C ZINC001517046637 938010939 /nfs/dbraw/zinc/01/09/39/938010939.db2.gz ORQSTFIRKJLMGJ-WDEREUQCSA-N 0 3 293.798 3.466 20 30 CGEDHN C=CC[C@@H]1N(C(=O)[C@H]2CCCN2C(C)C)CCCC1(C)C ZINC001519870372 938021441 /nfs/dbraw/zinc/02/14/41/938021441.db2.gz IYUQQCIUQGVVIJ-CVEARBPZSA-N 0 3 292.467 3.453 20 30 CGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)c1ncc(F)cc1F ZINC001520447864 938025908 /nfs/dbraw/zinc/02/59/08/938025908.db2.gz CIAGSVTUKBOAMF-IONNQARKSA-N 0 3 288.244 3.217 20 30 CGEDHN CC1(C)CCC[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001527021100 938059975 /nfs/dbraw/zinc/05/99/75/938059975.db2.gz YJDSYPQCTGMOKO-GHMZBOCLSA-N 0 3 278.302 3.362 20 30 CGEDHN C=CCCCCN1CCN(c2cccs2)CC1 ZINC001559638708 938231545 /nfs/dbraw/zinc/23/15/45/938231545.db2.gz KUDZKPRMGLMPED-UHFFFAOYSA-N 0 3 250.411 3.226 20 30 CGEDHN C[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCCC1 ZINC001559738317 938233884 /nfs/dbraw/zinc/23/38/84/938233884.db2.gz AUMFAHMDVVTUQG-CXAGYDPISA-N 0 3 299.418 3.033 20 30 CGEDHN CCCCCCCCCN1C[C@@H](C)O[C@H](COC)C1 ZINC001559762772 938235041 /nfs/dbraw/zinc/23/50/41/938235041.db2.gz UEBSUXFFVUWRSI-CVEARBPZSA-N 0 3 271.445 3.473 20 30 CGEDHN C#C[C@@H](C)N(C)CCOc1cc(Cl)cc(Cl)c1 ZINC001559797329 938236158 /nfs/dbraw/zinc/23/61/58/938236158.db2.gz NCIGWLAYMWLZIQ-SNVBAGLBSA-N 0 3 272.175 3.326 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cccc(Cl)c1F ZINC001559797112 938236190 /nfs/dbraw/zinc/23/61/90/938236190.db2.gz GXFJXEKPDQVPHA-UHFFFAOYSA-N 0 3 284.806 3.419 20 30 CGEDHN CCCCCCCN1CCN(Cc2ccc(O)cc2)CC1 ZINC001560085215 938243735 /nfs/dbraw/zinc/24/37/35/938243735.db2.gz QTFXXMFQQDSJJI-UHFFFAOYSA-N 0 3 290.451 3.480 20 30 CGEDHN C#CCN(C[C@H](OC(C)C)c1ccccc1)C(C)C ZINC001560164606 938245728 /nfs/dbraw/zinc/24/57/28/938245728.db2.gz FOWRSBTXUYBQHC-KRWDZBQOSA-N 0 3 259.393 3.496 20 30 CGEDHN C#C[C@@H]1CCCCN1C[C@H](O)c1cccc2ccccc21 ZINC001560209490 938247379 /nfs/dbraw/zinc/24/73/79/938247379.db2.gz OGQOHSPMLSUPCM-APWZRJJASA-N 0 3 279.383 3.361 20 30 CGEDHN Cc1cc(CNCc2ccc3oc(=O)[nH]c3c2)ccc1C#N ZINC001560579959 938264079 /nfs/dbraw/zinc/26/40/79/938264079.db2.gz FZHCUJXMIQVGTQ-UHFFFAOYSA-N 0 3 293.326 3.003 20 30 CGEDHN CC(C)C1(CN2CCN(c3ccccc3C#N)CC2)CC1 ZINC001560728659 938272545 /nfs/dbraw/zinc/27/25/45/938272545.db2.gz BFNAMVYKTPWHHY-UHFFFAOYSA-N 0 3 283.419 3.116 20 30 CGEDHN C[C@H]1CC[C@H](NCC(C)(C)C#N)CN1Cc1ccccc1 ZINC001560741249 938273352 /nfs/dbraw/zinc/27/33/52/938273352.db2.gz QBBZHYAFKYQLNK-RDJZCZTQSA-N 0 3 285.435 3.179 20 30 CGEDHN CC#CCN(C)CCCc1c(F)cccc1Cl ZINC001561032607 938290678 /nfs/dbraw/zinc/29/06/78/938290678.db2.gz KGMHYOOAZDJTTO-UHFFFAOYSA-N 0 3 253.748 3.367 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230573319 957848497 /nfs/dbraw/zinc/84/84/97/957848497.db2.gz UBZWJBYCTZYEPC-MRXNPFEDSA-N 0 3 280.456 3.290 20 30 CGEDHN C=CCCCCN(C)Cc1cnc(OC)c(F)c1 ZINC001144466213 957875486 /nfs/dbraw/zinc/87/54/86/957875486.db2.gz KGCCWMBIRKGBFW-UHFFFAOYSA-N 0 3 252.333 3.017 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)Cc1cccc(Cl)c1 ZINC001574901481 960467645 /nfs/dbraw/zinc/46/76/45/960467645.db2.gz JSQKCNHBWNUPAU-OAHLLOKOSA-N 0 3 294.826 3.372 20 30 CGEDHN C=Cc1ccc(C(=O)NCCN(CC(=C)C)C2CC2)cc1 ZINC001567450855 961354839 /nfs/dbraw/zinc/35/48/39/961354839.db2.gz TVXGVCFKLGQNRF-UHFFFAOYSA-N 0 3 284.403 3.100 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(CC)(CC)CC ZINC001567864894 961447358 /nfs/dbraw/zinc/44/73/58/961447358.db2.gz LGOHDAFORWJMQF-HOTGVXAUSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCCC(=O)N1CCCC[C@@H]1CCNCC(=C)Cl ZINC001568378795 961567360 /nfs/dbraw/zinc/56/73/60/961567360.db2.gz KUFYZUIQXPJPTR-CQSZACIVSA-N 0 3 284.831 3.066 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(Cl)c1F ZINC001568494632 961591267 /nfs/dbraw/zinc/59/12/67/961591267.db2.gz IFORHAPQJKKIFL-UHFFFAOYSA-N 0 3 298.789 3.059 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)/C=C/C1CCCCC1 ZINC001568551649 961614439 /nfs/dbraw/zinc/61/44/39/961614439.db2.gz NGUBVEMLQZZLAC-VAWYXSNFSA-N 0 3 278.440 3.089 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCC[C@H]1C ZINC001569234279 961725570 /nfs/dbraw/zinc/72/55/70/961725570.db2.gz LEZHHFXVOVQQEB-TZMCWYRMSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCNCC(=C)Cl ZINC001571291538 962123427 /nfs/dbraw/zinc/12/34/27/962123427.db2.gz DPHOABMRRNGBCS-CYBMUJFWSA-N 0 3 286.847 3.216 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)C/C(C)=C\c1ccccc1 ZINC001574901226 962336041 /nfs/dbraw/zinc/33/60/41/962336041.db2.gz CPRLVTVTSDUXJY-REZBVGGZSA-N 0 3 286.419 3.232 20 30 CGEDHN C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001588541969 963282216 /nfs/dbraw/zinc/28/22/16/963282216.db2.gz VFSVECHYSOMTJM-JQWIXIFHSA-N 0 3 289.358 3.011 20 30 CGEDHN C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001588541969 963282223 /nfs/dbraw/zinc/28/22/23/963282223.db2.gz VFSVECHYSOMTJM-JQWIXIFHSA-N 0 3 289.358 3.011 20 30 CGEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(-c3nnn[n-]3)c2)C1 ZINC001588560879 963283161 /nfs/dbraw/zinc/28/31/61/963283161.db2.gz VFCJBRYEORBYLL-DZGCQCFKSA-N 0 3 297.406 3.010 20 30 CGEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(-c3nn[n-]n3)c2)C1 ZINC001588560879 963283170 /nfs/dbraw/zinc/28/31/70/963283170.db2.gz VFCJBRYEORBYLL-DZGCQCFKSA-N 0 3 297.406 3.010 20 30 CGEDHN C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001588541970 963283274 /nfs/dbraw/zinc/28/32/74/963283274.db2.gz VFSVECHYSOMTJM-PWSUYJOCSA-N 0 3 289.358 3.011 20 30 CGEDHN C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001588541970 963283282 /nfs/dbraw/zinc/28/32/82/963283282.db2.gz VFSVECHYSOMTJM-PWSUYJOCSA-N 0 3 289.358 3.011 20 30 CGEDHN C=CCCCCC[NH2+]C(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588596006 963286750 /nfs/dbraw/zinc/28/67/50/963286750.db2.gz DQXVFKYMXXSSBK-UHFFFAOYSA-N 0 3 299.422 3.438 20 30 CGEDHN C=CCCCCC[NH2+]C(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001588596006 963286761 /nfs/dbraw/zinc/28/67/61/963286761.db2.gz DQXVFKYMXXSSBK-UHFFFAOYSA-N 0 3 299.422 3.438 20 30 CGEDHN C=CC[N@@H+](CC/C=C\CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632197 963292645 /nfs/dbraw/zinc/29/26/45/963292645.db2.gz MXIRYGKFYXFAQU-WAYWQWQTSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@H+](CC/C=C\CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632197 963292654 /nfs/dbraw/zinc/29/26/54/963292654.db2.gz MXIRYGKFYXFAQU-WAYWQWQTSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@@H+](CC/C=C\CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632197 963292662 /nfs/dbraw/zinc/29/26/62/963292662.db2.gz MXIRYGKFYXFAQU-WAYWQWQTSA-N 0 3 297.406 3.211 20 30 CGEDHN C=CC[N@H+](CC/C=C\CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632197 963292673 /nfs/dbraw/zinc/29/26/73/963292673.db2.gz MXIRYGKFYXFAQU-WAYWQWQTSA-N 0 3 297.406 3.211 20 30 CGEDHN Cc1nn(C)cc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000350656690 219045723 /nfs/dbraw/zinc/04/57/23/219045723.db2.gz JGMQTBPDLWQNMU-UHFFFAOYSA-N 0 3 296.418 3.258 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nncn2-c2ccccc2)C1 ZINC000651676262 398267621 /nfs/dbraw/zinc/26/76/21/398267621.db2.gz UOPQPYVZIOZXMN-HUUCEWRRSA-N 0 3 282.391 3.102 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cn3c(cccc3C)n2)C1 ZINC000651700698 398271309 /nfs/dbraw/zinc/27/13/09/398271309.db2.gz PHTKCHUINVWNMR-HUUCEWRRSA-N 0 3 269.392 3.477 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651824259 398293978 /nfs/dbraw/zinc/29/39/78/398293978.db2.gz LMIMEXPJEGCGSF-AAEUAGOBSA-N 0 3 283.774 3.383 20 30 CGEDHN C[C@H](CCC#N)N1CCCO[C@H](c2ccccc2)C1 ZINC000591013293 346894703 /nfs/dbraw/zinc/89/47/03/346894703.db2.gz WOCJZDNIGNEHKL-ZBFHGGJFSA-N 0 3 258.365 3.142 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)[C@H]1SC ZINC000590957382 346890444 /nfs/dbraw/zinc/89/04/44/346890444.db2.gz RMEOJVCCVBAPCF-DANNLKNASA-N 0 3 290.432 3.118 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@H](C2CCC2)C1 ZINC000591063290 346898185 /nfs/dbraw/zinc/89/81/85/346898185.db2.gz OERXWGDURUFSMQ-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN CC[C@@H](COCC(F)(F)F)NCc1cc(C#N)cs1 ZINC000449381303 529522228 /nfs/dbraw/zinc/52/22/28/529522228.db2.gz ROETZBGXIBFONV-JTQLQIEISA-N 0 3 292.326 3.067 20 30 CGEDHN C=CC[C@H](C)NCc1cc(C)c(Br)cn1 ZINC000623423021 349804297 /nfs/dbraw/zinc/80/42/97/349804297.db2.gz QPBCLIKBCQOQFV-JTQLQIEISA-N 0 3 269.186 3.207 20 30 CGEDHN CCC[C@@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000592106391 346963341 /nfs/dbraw/zinc/96/33/41/346963341.db2.gz HSYDZOVNBJBQFJ-CZUORRHYSA-N 0 3 257.381 3.402 20 30 CGEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccncc1C#N ZINC000592072883 346960040 /nfs/dbraw/zinc/96/00/40/346960040.db2.gz QGKLLVPVGAJSHX-IOASZLSFSA-N 0 3 255.365 3.106 20 30 CGEDHN CCC[C@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000592106389 346963408 /nfs/dbraw/zinc/96/34/08/346963408.db2.gz HSYDZOVNBJBQFJ-BBRMVZONSA-N 0 3 257.381 3.402 20 30 CGEDHN C=CCN1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592136499 346966171 /nfs/dbraw/zinc/96/61/71/346966171.db2.gz CFCMLAPHEUKJBZ-JKSUJKDBSA-N 0 3 287.403 3.230 20 30 CGEDHN C[C@H]1CC2(CN1Cc1ccc(C#N)cc1F)CCOCC2 ZINC000592183756 346970495 /nfs/dbraw/zinc/97/04/95/346970495.db2.gz WOGMMUBMEJWIQO-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1csc(CN[C@H](C2CCC2)C2CCCC2)n1 ZINC000592375952 346980312 /nfs/dbraw/zinc/98/03/12/346980312.db2.gz UILHICQPRWSBJM-HNNXBMFYSA-N 0 3 275.421 3.463 20 30 CGEDHN CC(C#N)C(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592900646 347020261 /nfs/dbraw/zinc/02/02/61/347020261.db2.gz HLBLOUWBICRTRW-ZFWWWQNUSA-N 0 3 266.344 3.066 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593041356 347032066 /nfs/dbraw/zinc/03/20/66/347032066.db2.gz RZHHEENKFWJVQQ-XJKSGUPXSA-N 0 3 260.356 3.481 20 30 CGEDHN C=CCNC(=O)CN[C@@H](C)c1ccc([C@H](C)CC)cc1 ZINC000623946142 349924946 /nfs/dbraw/zinc/92/49/46/349924946.db2.gz OKJFLDGEXYFXKL-KGLIPLIRSA-N 0 3 274.408 3.153 20 30 CGEDHN N#CCSCCCN1CCCc2sccc2C1 ZINC000074990511 345489560 /nfs/dbraw/zinc/48/95/60/345489560.db2.gz FGFQYWVBSRCGGZ-UHFFFAOYSA-N 0 3 266.435 3.143 20 30 CGEDHN C=CCNC(=O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC000077372172 345571052 /nfs/dbraw/zinc/57/10/52/345571052.db2.gz DHDNPZLWLWAKRN-OAHLLOKOSA-N 0 3 286.419 3.152 20 30 CGEDHN C[C@H](NC[C@@H](O)CCc1ccccc1)c1cccc(C#N)c1 ZINC000273252390 192088915 /nfs/dbraw/zinc/08/89/15/192088915.db2.gz LBUFLOOXXZAKAT-KXBFYZLASA-N 0 3 294.398 3.203 20 30 CGEDHN CC(C(=O)Nc1ncn(Cc2ccccc2)n1)C(F)(F)F ZINC000079716505 345652221 /nfs/dbraw/zinc/65/22/21/345652221.db2.gz XNYYRCGNKVIBFJ-VIFPVBQESA-N 0 3 298.268 3.113 20 30 CGEDHN CC[C@H]1C[C@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000080656098 345682291 /nfs/dbraw/zinc/68/22/91/345682291.db2.gz JXJUHIWZVRAJKN-WFASDCNBSA-N 0 3 296.374 3.229 20 30 CGEDHN CCN(CC)[C@@H](CNc1cnccc1C#N)c1ccco1 ZINC000094151004 345896817 /nfs/dbraw/zinc/89/68/17/345896817.db2.gz WDTUPESETMMZLM-HNNXBMFYSA-N 0 3 284.363 3.041 20 30 CGEDHN CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccoc1 ZINC000102408109 345916269 /nfs/dbraw/zinc/91/62/69/345916269.db2.gz HVEBDZHZUMONDX-UHFFFAOYSA-N 0 3 297.358 3.002 20 30 CGEDHN N#Cc1cc(N[C@H]2CCN(C3CC3)C2)ccc1C(F)(F)F ZINC000163976567 346181736 /nfs/dbraw/zinc/18/17/36/346181736.db2.gz BLDYVOGJCPEYSH-LBPRGKRZSA-N 0 3 295.308 3.226 20 30 CGEDHN C[C@H](NCc1ccc(O)cc1)c1cccc(C#N)c1 ZINC000164507823 346182284 /nfs/dbraw/zinc/18/22/84/346182284.db2.gz UYGUOSLJWRZIOE-LBPRGKRZSA-N 0 3 252.317 3.115 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@@H](C)COC ZINC000189787147 346263747 /nfs/dbraw/zinc/26/37/47/346263747.db2.gz DDKBXTXBGPQJJT-CYBMUJFWSA-N 0 3 251.345 3.096 20 30 CGEDHN N#Cc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000236273478 346339928 /nfs/dbraw/zinc/33/99/28/346339928.db2.gz MSGFBBBTIUJGFL-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN N#CC1CCC(NCc2ccc(F)cc2F)CC1 ZINC000258673694 346400968 /nfs/dbraw/zinc/40/09/68/346400968.db2.gz COFPWSXNZKJOGX-UHFFFAOYSA-N 0 3 250.292 3.137 20 30 CGEDHN CC[C@@H](C#N)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000593536697 347091138 /nfs/dbraw/zinc/09/11/38/347091138.db2.gz AJFLMSFKBDGJGZ-HNNXBMFYSA-N 0 3 285.391 3.079 20 30 CGEDHN C[C@H](N[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 ZINC000310897351 346472238 /nfs/dbraw/zinc/47/22/38/346472238.db2.gz AMNCQLGNXYADRV-GWCFXTLKSA-N 0 3 250.292 3.397 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ncc(Br)cn1 ZINC000340423800 346502624 /nfs/dbraw/zinc/50/26/24/346502624.db2.gz OECIOAUGEXERNJ-AXFHLTTASA-N 0 3 298.228 3.490 20 30 CGEDHN CC[C@H](NCCCC#N)c1cc(OC)c(OC)c(OC)c1 ZINC000593708591 347105591 /nfs/dbraw/zinc/10/55/91/347105591.db2.gz WVVXCQKQSZPNRJ-ZDUSSCGKSA-N 0 3 292.379 3.057 20 30 CGEDHN Cc1ccc([C@H](CNc2nc(C#N)ccc2C)N(C)C)cc1 ZINC000589108599 346783232 /nfs/dbraw/zinc/78/32/32/346783232.db2.gz GFSBEXPSLKELPZ-KRWDZBQOSA-N 0 3 294.402 3.285 20 30 CGEDHN CC(C)(CCNCc1nc(C#N)cs1)c1ccccc1 ZINC000589310417 346793510 /nfs/dbraw/zinc/79/35/10/346793510.db2.gz MIRYYHXZTWEOQQ-UHFFFAOYSA-N 0 3 285.416 3.472 20 30 CGEDHN C[C@]1(C#N)CCCN(CC2Cc3ccccc3C2)C1 ZINC000589511580 346799161 /nfs/dbraw/zinc/79/91/61/346799161.db2.gz VZFFXRFRWJILGN-QGZVFWFLSA-N 0 3 254.377 3.027 20 30 CGEDHN C[C@H]1CN(CCC(C)(C)C#N)CC2(CCCCC2)O1 ZINC000594057230 347146784 /nfs/dbraw/zinc/14/67/84/347146784.db2.gz BMHUZNRALOCBPQ-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCCC3)O2)c(F)c1 ZINC000594523938 347189822 /nfs/dbraw/zinc/18/98/22/347189822.db2.gz WDIYUVBRPKCONB-HNNXBMFYSA-N 0 3 288.366 3.279 20 30 CGEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)CS1 ZINC000594494514 347177355 /nfs/dbraw/zinc/17/73/55/347177355.db2.gz GXQHGKRTDSOOQV-MFKMUULPSA-N 0 3 264.369 3.071 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)o1)C1CCC(F)(F)CC1 ZINC000594518006 347187472 /nfs/dbraw/zinc/18/74/72/347187472.db2.gz GHMQVWHIBJTWLH-SNVBAGLBSA-N 0 3 268.307 3.455 20 30 CGEDHN C[C@@H](COCC1CC1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594951050 347239290 /nfs/dbraw/zinc/23/92/90/347239290.db2.gz XBFDKFMNLBZWMQ-AWEZNQCLSA-N 0 3 284.403 3.146 20 30 CGEDHN C=CCCSCCNCc1cc(OC)c(OC)cc1C ZINC000594960106 347241283 /nfs/dbraw/zinc/24/12/83/347241283.db2.gz JXTVEEWORYSMJS-UHFFFAOYSA-N 0 3 295.448 3.411 20 30 CGEDHN C=CCCSCCNCc1ccc(N(C)C(C)C)nc1 ZINC000594960359 347241413 /nfs/dbraw/zinc/24/14/13/347241413.db2.gz OSOZWLCXSZRZDH-UHFFFAOYSA-N 0 3 293.480 3.325 20 30 CGEDHN C=CCCSCCNCc1cnn(-c2ccccc2)c1 ZINC000594960846 347241583 /nfs/dbraw/zinc/24/15/83/347241583.db2.gz XNUVVSVYCLHXJN-UHFFFAOYSA-N 0 3 287.432 3.271 20 30 CGEDHN C=CCOCCCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000594975447 347247110 /nfs/dbraw/zinc/24/71/10/347247110.db2.gz VJXCODYKAAVGKQ-UHFFFAOYSA-N 0 3 292.379 3.401 20 30 CGEDHN N#Cc1ccc(CNC2CCC3(CC3(F)F)CC2)o1 ZINC000594983841 347248803 /nfs/dbraw/zinc/24/88/03/347248803.db2.gz PFIBWFFINFDEMS-UHFFFAOYSA-N 0 3 266.291 3.209 20 30 CGEDHN N#CC1(CC(=O)Nc2ccc3c(c2)CNCC3)CCCCC1 ZINC000595254338 347285854 /nfs/dbraw/zinc/28/58/54/347285854.db2.gz QJWVIDSUFUQUCZ-UHFFFAOYSA-N 0 3 297.402 3.135 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](OC)C1CCC1 ZINC000595297641 347288288 /nfs/dbraw/zinc/28/82/88/347288288.db2.gz XWCUEEAJNXZRBG-GOSISDBHSA-N 0 3 284.403 3.361 20 30 CGEDHN CC(C)N1CCCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595308096 347290066 /nfs/dbraw/zinc/29/00/66/347290066.db2.gz ZIBXZOYYMZKKNV-INIZCTEOSA-N 0 3 291.826 3.321 20 30 CGEDHN CC(C)(NCCc1ccc(C#N)cc1)c1nccs1 ZINC000595373158 347296612 /nfs/dbraw/zinc/29/66/12/347296612.db2.gz WYXLQRRHULVQPC-UHFFFAOYSA-N 0 3 271.389 3.082 20 30 CGEDHN C[C@H](c1ccncc1)N(C)CCc1ccc(C#N)cc1 ZINC000595393322 347298361 /nfs/dbraw/zinc/29/83/61/347298361.db2.gz YGRCBKNSCYXKMC-CQSZACIVSA-N 0 3 265.360 3.189 20 30 CGEDHN Cc1cc(CN[C@H](c2ccccc2)[C@@H](C)O)ccc1C#N ZINC000595005907 347254397 /nfs/dbraw/zinc/25/43/97/347254397.db2.gz FTTCAWQONACVHX-KDOFPFPSSA-N 0 3 280.371 3.078 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014037 347257288 /nfs/dbraw/zinc/25/72/88/347257288.db2.gz LEZHDKGCMALENV-LLVKDONJSA-N 0 3 296.392 3.173 20 30 CGEDHN CCc1cccnc1[C@@H](C)NCCc1ccc(C#N)cc1 ZINC000595055734 347271671 /nfs/dbraw/zinc/27/16/71/347271671.db2.gz IFTHPILYDYYMON-CQSZACIVSA-N 0 3 279.387 3.409 20 30 CGEDHN CC[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000595056004 347271889 /nfs/dbraw/zinc/27/18/89/347271889.db2.gz OMEVLZMNGPVGPK-INIZCTEOSA-N 0 3 283.350 3.376 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cn2ccccc2n1 ZINC000595057216 347272348 /nfs/dbraw/zinc/27/23/48/347272348.db2.gz BRVBOEWZLUPVJG-ZDUSSCGKSA-N 0 3 275.421 3.294 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000595058726 347273249 /nfs/dbraw/zinc/27/32/49/347273249.db2.gz KBWIEAAUWCRXJK-NSHDSACASA-N 0 3 292.404 3.493 20 30 CGEDHN COc1cccc(C2(N[C@H]3CC[C@H](C#N)C3)CCC2)c1 ZINC000595093521 347282220 /nfs/dbraw/zinc/28/22/20/347282220.db2.gz KTGJRTFAFWSRDX-ZFWWWQNUSA-N 0 3 270.376 3.356 20 30 CGEDHN CCc1cccc(OCCN2CCC[C@H](CC#N)C2)c1 ZINC000595610207 347326774 /nfs/dbraw/zinc/32/67/74/347326774.db2.gz TVSMASSJPSBDCP-MRXNPFEDSA-N 0 3 272.392 3.253 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CC#N)C1 ZINC000595623105 347329588 /nfs/dbraw/zinc/32/95/88/347329588.db2.gz HMELHIHTPNOUAF-ZIAGYGMSSA-N 0 3 253.349 3.245 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000595662048 347335125 /nfs/dbraw/zinc/33/51/25/347335125.db2.gz YZNZXASTFXPTET-CYBMUJFWSA-N 0 3 258.340 3.485 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](CCF)C2)cc1F ZINC000595754792 347350544 /nfs/dbraw/zinc/35/05/44/347350544.db2.gz CBHPELJHUDQGPQ-LBPRGKRZSA-N 0 3 264.319 3.269 20 30 CGEDHN CC(C)(C#N)CCCN1CCOC(C2CC2)(C2CC2)C1 ZINC000595822651 347360755 /nfs/dbraw/zinc/36/07/55/347360755.db2.gz ZJDVCXSWZOXXSH-UHFFFAOYSA-N 0 3 276.424 3.207 20 30 CGEDHN CC(C)(C#N)CCCN1CCC(c2ccon2)CC1 ZINC000595829290 347361865 /nfs/dbraw/zinc/36/18/65/347361865.db2.gz TVLSHFQQHFJQDW-UHFFFAOYSA-N 0 3 261.369 3.184 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1F ZINC000595845351 347367299 /nfs/dbraw/zinc/36/72/99/347367299.db2.gz MAUVJYNLSJUFCW-GASCZTMLSA-N 0 3 256.324 3.380 20 30 CGEDHN COCC1(NCc2cc(C#N)ccc2F)CCCCC1 ZINC000595909630 347371929 /nfs/dbraw/zinc/37/19/29/347371929.db2.gz AFSVSAKYRCHHPK-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)o1)CC(F)(F)F ZINC000596066721 347378714 /nfs/dbraw/zinc/37/87/14/347378714.db2.gz HSOWNZNHIYCSJV-UHFFFAOYSA-N 0 3 260.259 3.219 20 30 CGEDHN N#CCC[C@H](C#N)CNC1CCC(C2CCC2)CC1 ZINC000596066000 347378842 /nfs/dbraw/zinc/37/88/42/347378842.db2.gz LQJXQQNLQVFBDH-IUDNXUCKSA-N 0 3 259.397 3.378 20 30 CGEDHN N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCN(C3CC3)C2)c1 ZINC000596091043 347382651 /nfs/dbraw/zinc/38/26/51/347382651.db2.gz FXSXCHNSIDKVGC-NSHDSACASA-N 0 3 295.308 3.226 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(N)ccc31)CC2 ZINC000596653865 347498517 /nfs/dbraw/zinc/49/85/17/347498517.db2.gz XHQXQWXBKUWAFX-MOPGFXCFSA-N 0 3 289.382 3.405 20 30 CGEDHN COc1c(C)cc(CN2CCC[C@H](CC#N)C2)cc1C ZINC000597175051 347543992 /nfs/dbraw/zinc/54/39/92/347543992.db2.gz VABROIVJGOREBC-OAHLLOKOSA-N 0 3 272.392 3.438 20 30 CGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCCCO1 ZINC000597000157 347526658 /nfs/dbraw/zinc/52/66/58/347526658.db2.gz JCONZFUFYDJTQR-KRWDZBQOSA-N 0 3 284.403 3.243 20 30 CGEDHN C=CCSCCNCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597055632 347531490 /nfs/dbraw/zinc/53/14/90/347531490.db2.gz MCOADGTUMMPOGD-UHFFFAOYSA-N 0 3 299.823 3.135 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc(C(=O)OC)cc1F ZINC000597222330 347556531 /nfs/dbraw/zinc/55/65/31/347556531.db2.gz MCZRXAHSEVZXKX-NWDGAFQWSA-N 0 3 279.355 3.303 20 30 CGEDHN C[C@@H](CCc1ccccc1)CN1CC[C@](C)(C#N)C1 ZINC000597232035 347559935 /nfs/dbraw/zinc/55/99/35/347559935.db2.gz RCCPQUAVGLPXHT-DOTOQJQBSA-N 0 3 256.393 3.491 20 30 CGEDHN C=CCCC(C)(C)NCc1cc(C)c(C(=O)OC)o1 ZINC000597244784 347562363 /nfs/dbraw/zinc/56/23/63/347562363.db2.gz RMTUMXVTLIPDKE-UHFFFAOYSA-N 0 3 265.353 3.209 20 30 CGEDHN COc1ccc(F)c(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000598676497 347678000 /nfs/dbraw/zinc/67/80/00/347678000.db2.gz JAYPNCUYONDILM-WCQYABFASA-N 0 3 262.328 3.006 20 30 CGEDHN Cc1cc(CNC[C@H](O)CC(C)(C)C#N)ccc1Cl ZINC000598725733 347683512 /nfs/dbraw/zinc/68/35/12/347683512.db2.gz ZDEIXYIUNHLNRL-CYBMUJFWSA-N 0 3 280.799 3.039 20 30 CGEDHN CN(Cc1ccc(Cl)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598586830 347666817 /nfs/dbraw/zinc/66/68/17/347666817.db2.gz DZGPFVNWWKDGOL-CQSZACIVSA-N 0 3 280.799 3.073 20 30 CGEDHN C[C@@H](c1cccs1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598586425 347667016 /nfs/dbraw/zinc/66/70/16/347667016.db2.gz UPXGEFMIPUWWMH-NWDGAFQWSA-N 0 3 266.410 3.042 20 30 CGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1Cl ZINC000598596316 347669447 /nfs/dbraw/zinc/66/94/47/347669447.db2.gz ZYTIJMPCVNIGAV-VXGBXAGGSA-N 0 3 280.799 3.291 20 30 CGEDHN CSc1ccccc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598620822 347672475 /nfs/dbraw/zinc/67/24/75/347672475.db2.gz SIPMLSLOKFOULX-QWHCGFSZSA-N 0 3 292.448 3.360 20 30 CGEDHN Cc1ncsc1CCN1CCc2c(CC#N)cccc2C1 ZINC000599678685 347764933 /nfs/dbraw/zinc/76/49/33/347764933.db2.gz KYXJMCRSNSTCMK-UHFFFAOYSA-N 0 3 297.427 3.118 20 30 CGEDHN C=C(C)CCN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599555140 347754414 /nfs/dbraw/zinc/75/44/14/347754414.db2.gz AVPHRUBEDYDVHF-UHFFFAOYSA-N 0 3 294.420 3.075 20 30 CGEDHN N#CCC[C@@H](C#N)CNCC1CCc2ccccc2CC1 ZINC000600603540 347813426 /nfs/dbraw/zinc/81/34/26/347813426.db2.gz MIKOHWSOKIQPRA-INIZCTEOSA-N 0 3 281.403 3.215 20 30 CGEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(F)c(C#N)c2)cc1 ZINC000600781119 347835118 /nfs/dbraw/zinc/83/51/18/347835118.db2.gz ASCHSJPUUDIJNS-KPZWWZAWSA-N 0 3 296.345 3.414 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc3cccnc3c2)C1 ZINC000601292533 347889160 /nfs/dbraw/zinc/88/91/60/347889160.db2.gz QATDMQZXDTUSBW-BBRMVZONSA-N 0 3 265.360 3.407 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(C(=O)OCC)no1 ZINC000601310735 347891263 /nfs/dbraw/zinc/89/12/63/347891263.db2.gz NXTHDHYCAHJKEM-GXTWGEPZSA-N 0 3 292.379 3.076 20 30 CGEDHN CC(C)(C)[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602014436 347933579 /nfs/dbraw/zinc/93/35/79/347933579.db2.gz DEVLORTZFXKGLM-XJKSGUPXSA-N 0 3 290.382 3.381 20 30 CGEDHN Cc1csc(C2(NC[C@H](C)CCC#N)CCC2)n1 ZINC000602530665 347976378 /nfs/dbraw/zinc/97/63/78/347976378.db2.gz ZOBYMQPJQAPTHF-LLVKDONJSA-N 0 3 263.410 3.360 20 30 CGEDHN N#Cc1cccc(CN(CCc2cccc(F)c2)C2CC2)n1 ZINC000602472195 347963935 /nfs/dbraw/zinc/96/39/35/347963935.db2.gz OZNLGYBIFBHHKF-UHFFFAOYSA-N 0 3 295.361 3.299 20 30 CGEDHN C[C@H](CCc1ccccc1)NCc1cccc(C#N)n1 ZINC000602502612 347971540 /nfs/dbraw/zinc/97/15/40/347971540.db2.gz HDAKMKDIZZXGNX-CQSZACIVSA-N 0 3 265.360 3.064 20 30 CGEDHN C[C@@H](CCC#N)CNCc1cccnc1OC1CCCC1 ZINC000602508270 347972104 /nfs/dbraw/zinc/97/21/04/347972104.db2.gz AKPHYKUMNMGULG-AWEZNQCLSA-N 0 3 287.407 3.432 20 30 CGEDHN N#Cc1cccc(CNCC2(Cc3ccccc3)CCC2)n1 ZINC000602568326 347983984 /nfs/dbraw/zinc/98/39/84/347983984.db2.gz JSIPKSLSSDAZPJ-UHFFFAOYSA-N 0 3 291.398 3.456 20 30 CGEDHN COc1cccc(C(C)(C)CNCc2cccc(C#N)n2)c1 ZINC000602571357 347985135 /nfs/dbraw/zinc/98/51/35/347985135.db2.gz KTNXNPAJVWUUAE-UHFFFAOYSA-N 0 3 295.386 3.029 20 30 CGEDHN CCC(CC)[C@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602586934 347989734 /nfs/dbraw/zinc/98/97/34/347989734.db2.gz BILOZFVNQLCAJW-WMLDXEAASA-N 0 3 287.407 3.027 20 30 CGEDHN C[C@H](C#N)CN[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602607472 347993166 /nfs/dbraw/zinc/99/31/66/347993166.db2.gz LBCGKHVMNNVYRB-KYJSFNMBSA-N 0 3 283.419 3.104 20 30 CGEDHN Cn1cccc1[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000602785862 348028479 /nfs/dbraw/zinc/02/84/79/348028479.db2.gz WIFMPBHYPGWJDA-HNNXBMFYSA-N 0 3 257.381 3.246 20 30 CGEDHN N#CC1CCC(NCc2ccn(Cc3ccccc3)n2)CC1 ZINC000602649371 348000621 /nfs/dbraw/zinc/00/06/21/348000621.db2.gz CSCNIBIHEAUHJU-UHFFFAOYSA-N 0 3 294.402 3.103 20 30 CGEDHN CO[C@@](C)(CNCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000602659545 348002744 /nfs/dbraw/zinc/00/27/44/348002744.db2.gz SJEIFPQUDDOVIM-HNNXBMFYSA-N 0 3 278.783 3.116 20 30 CGEDHN C[C@@H](CCOCc1ccccc1)NCc1cccc(C#N)n1 ZINC000602663084 348003621 /nfs/dbraw/zinc/00/36/21/348003621.db2.gz SXVNWWBVTGIMOL-HNNXBMFYSA-N 0 3 295.386 3.038 20 30 CGEDHN CCC[C@@H](CNCc1ccc(C#N)c(Cl)c1)OC ZINC000602659985 348003714 /nfs/dbraw/zinc/00/37/14/348003714.db2.gz ZPHCDFNJKBCNBM-ZDUSSCGKSA-N 0 3 266.772 3.116 20 30 CGEDHN N#Cc1cccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)n1 ZINC000602671015 348006093 /nfs/dbraw/zinc/00/60/93/348006093.db2.gz SULIIZLKUXBHJY-WJYNOGRTSA-N 0 3 281.334 3.128 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602688337 348009665 /nfs/dbraw/zinc/00/96/65/348009665.db2.gz AZHWKFWNBOQWJG-IAGOWNOFSA-N 0 3 285.435 3.133 20 30 CGEDHN CC[C@@H](CNCc1cccc(C#N)n1)CC(F)(F)F ZINC000602689453 348009875 /nfs/dbraw/zinc/00/98/75/348009875.db2.gz HUQVTKBJPWJZBE-SNVBAGLBSA-N 0 3 271.286 3.021 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602719146 348016405 /nfs/dbraw/zinc/01/64/05/348016405.db2.gz YDOSCEQUZCCLPB-HZPDHXFCSA-N 0 3 299.418 3.169 20 30 CGEDHN C[C@H](CCC#N)CNCc1cccc2c1OC(F)(F)O2 ZINC000602723016 348017889 /nfs/dbraw/zinc/01/78/89/348017889.db2.gz PRJWICOTBULAFO-SNVBAGLBSA-N 0 3 282.290 3.038 20 30 CGEDHN Cc1ccccc1[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602772547 348026304 /nfs/dbraw/zinc/02/63/04/348026304.db2.gz SPTLCPKAYXZVGD-OAHLLOKOSA-N 0 3 254.377 3.478 20 30 CGEDHN Cc1ccc(C)n1C1CCN(CC2(CC#N)CC2)CC1 ZINC000602772265 348026361 /nfs/dbraw/zinc/02/63/61/348026361.db2.gz QWJGHDJXSDIMOI-UHFFFAOYSA-N 0 3 271.408 3.436 20 30 CGEDHN CC(C)c1cc(Cl)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000602560128 347982321 /nfs/dbraw/zinc/98/23/21/347982321.db2.gz BUUPBGYEAYWRKE-ZDUSSCGKSA-N 0 3 293.798 3.423 20 30 CGEDHN CCC1(CC)CN(CC2(CC#N)CC2)CCS1 ZINC000602812456 348033349 /nfs/dbraw/zinc/03/33/49/348033349.db2.gz XORHKBXBRTZBSU-UHFFFAOYSA-N 0 3 252.427 3.288 20 30 CGEDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CC1(CC#N)CC1 ZINC000602846094 348036218 /nfs/dbraw/zinc/03/62/18/348036218.db2.gz LSIFCLKIXBUUIO-KBPBESRZSA-N 0 3 292.423 3.122 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC(C)(C)CO1 ZINC000602844668 348036373 /nfs/dbraw/zinc/03/63/73/348036373.db2.gz FUBKMIJYKZYYBH-CJNGLKHVSA-N 0 3 272.392 3.366 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602886090 348041050 /nfs/dbraw/zinc/04/10/50/348041050.db2.gz GNTVMZRLGFKZDO-DZGCQCFKSA-N 0 3 280.375 3.111 20 30 CGEDHN CSc1ccc(CNCC(C)(C)CCC#N)o1 ZINC000603426329 348082368 /nfs/dbraw/zinc/08/23/68/348082368.db2.gz GJOBZUZPUDIOFD-UHFFFAOYSA-N 0 3 252.383 3.421 20 30 CGEDHN N#CCN1CCC(NCc2c(Cl)cccc2Cl)CC1 ZINC000609335038 348342163 /nfs/dbraw/zinc/34/21/63/348342163.db2.gz QLRNPGCINKUHED-UHFFFAOYSA-N 0 3 298.217 3.071 20 30 CGEDHN Cc1cccn2c(CN[C@H](C)c3cccc(C#N)c3)cnc12 ZINC000610345155 348377057 /nfs/dbraw/zinc/37/70/57/348377057.db2.gz VHCWLXRZELYQRO-CQSZACIVSA-N 0 3 290.370 3.365 20 30 CGEDHN N#Cc1ccccc1NC(=O)CCN1C2CCCC1CCC2 ZINC000610395046 348380564 /nfs/dbraw/zinc/38/05/64/348380564.db2.gz RQRZOFQQOVXBGR-UHFFFAOYSA-N 0 3 297.402 3.294 20 30 CGEDHN C[C@@H]1c2ccccc2OCCN1CCCSCC#N ZINC000610412588 348382408 /nfs/dbraw/zinc/38/24/08/348382408.db2.gz AUUSDYBMXOHVTG-CYBMUJFWSA-N 0 3 276.405 3.089 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000609843644 348354128 /nfs/dbraw/zinc/35/41/28/348354128.db2.gz OYELXMJLYVEXIB-SNVBAGLBSA-N 0 3 298.308 3.259 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000609921180 348358560 /nfs/dbraw/zinc/35/85/60/348358560.db2.gz USPFBVWCFQXUMK-LBPRGKRZSA-N 0 3 290.794 3.428 20 30 CGEDHN N#Cc1cc(CN(CCc2cccc(F)c2)C2CC2)ccn1 ZINC000610993423 348415954 /nfs/dbraw/zinc/41/59/54/348415954.db2.gz QXRCBDXWEOVIJH-UHFFFAOYSA-N 0 3 295.361 3.299 20 30 CGEDHN CC[C@H](NCc1ccnc(C#N)c1)c1ccc(OC)cc1 ZINC000611376930 348442285 /nfs/dbraw/zinc/44/22/85/348442285.db2.gz PUVNDGJPGGGRQE-KRWDZBQOSA-N 0 3 281.359 3.203 20 30 CGEDHN Cc1cncc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611395266 348446432 /nfs/dbraw/zinc/44/64/32/348446432.db2.gz ZFOFJBDHRIEBKO-SFHVURJKSA-N 0 3 277.371 3.429 20 30 CGEDHN Cc1cc(C)cc(OCCN2CCC(C)(C#N)CC2)c1 ZINC000611553588 348460492 /nfs/dbraw/zinc/46/04/92/348460492.db2.gz KETBZVDCXWDIOB-UHFFFAOYSA-N 0 3 272.392 3.308 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCS1 ZINC000614164539 348653262 /nfs/dbraw/zinc/65/32/62/348653262.db2.gz GUPAGDNMRDUKEN-CYBMUJFWSA-N 0 3 274.433 3.425 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccccc2C#N)C12CCCC2 ZINC000339500608 215212913 /nfs/dbraw/zinc/21/29/13/215212913.db2.gz QTAUEKFQPXXKFI-SJORKVTESA-N 0 3 284.403 3.386 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000339502153 215213083 /nfs/dbraw/zinc/21/30/83/215213083.db2.gz QNKBWLLTFWMPRR-ASSNKEHSSA-N 0 3 298.411 3.146 20 30 CGEDHN C[C@H](CCc1n[nH]c2ccccc21)NCC(C)(C)C#N ZINC000613540359 348616141 /nfs/dbraw/zinc/61/61/41/348616141.db2.gz MZQXUYAYYGJQAZ-GFCCVEGCSA-N 0 3 270.380 3.023 20 30 CGEDHN CO[C@]1(C(F)(F)F)CCCN(CC(C)(C)CCC#N)C1 ZINC000615141415 348717785 /nfs/dbraw/zinc/71/77/85/348717785.db2.gz WZJYKFYGYIPXRU-CYBMUJFWSA-N 0 3 292.345 3.360 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC([C@@H]2CCOC2)CC1 ZINC000614406149 348674894 /nfs/dbraw/zinc/67/48/94/348674894.db2.gz RXRZEABVXLQTEW-GOSISDBHSA-N 0 3 284.403 3.115 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccsc1 ZINC000618741623 349151826 /nfs/dbraw/zinc/15/18/26/349151826.db2.gz HTRVWJYEZCYHFP-HNNXBMFYSA-N 0 3 254.358 3.397 20 30 CGEDHN CN1CC=C(CNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000273970611 192384287 /nfs/dbraw/zinc/38/42/87/192384287.db2.gz PFORPYULOIZBOA-UHFFFAOYSA-N 0 3 295.308 3.251 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(CO)ccc2F)C1 ZINC000625535130 350182323 /nfs/dbraw/zinc/18/23/23/350182323.db2.gz KGRUDGDJAWAQHU-CYBMUJFWSA-N 0 3 263.356 3.106 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(OC(C)C)ccn2)C1 ZINC000625704110 350201213 /nfs/dbraw/zinc/20/12/13/350201213.db2.gz VQNPTTBVBZDNJR-AWEZNQCLSA-N 0 3 260.381 3.267 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@]1(C)CCCS1 ZINC000628272756 350473659 /nfs/dbraw/zinc/47/36/59/350473659.db2.gz XRVYXLZSPQSBQJ-MRXNPFEDSA-N 0 3 295.448 3.436 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000628405861 350530146 /nfs/dbraw/zinc/53/01/46/350530146.db2.gz WIVDXJUSRHBSLC-AWEZNQCLSA-N 0 3 267.376 3.475 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000630840178 350897167 /nfs/dbraw/zinc/89/71/67/350897167.db2.gz YQACEDWJBFBNSF-MRXNPFEDSA-N 0 3 286.419 3.070 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cc(C)no1 ZINC000631158959 350973661 /nfs/dbraw/zinc/97/36/61/350973661.db2.gz LEGAAVLGMQHZQQ-OAHLLOKOSA-N 0 3 256.349 3.260 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cccc(OC)c1OC ZINC000631632242 351098115 /nfs/dbraw/zinc/09/81/15/351098115.db2.gz OHNXQTLJZCVBNP-ZNMIVQPWSA-N 0 3 291.391 3.088 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](CC)c1cccc(OC)c1OC ZINC000631634069 351098744 /nfs/dbraw/zinc/09/87/44/351098744.db2.gz UXFDJVLYVDANQF-DZGCQCFKSA-N 0 3 293.407 3.072 20 30 CGEDHN Cc1nc(NC[C@@H](c2cccc(F)c2)N(C)C)ccc1C#N ZINC000291670029 198056837 /nfs/dbraw/zinc/05/68/37/198056837.db2.gz PYNLTUULDHUNIK-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccccc1OCC ZINC000271628495 191248051 /nfs/dbraw/zinc/24/80/51/191248051.db2.gz BDHKSOFGVJFAQK-KBPBESRZSA-N 0 3 263.381 3.063 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)o1 ZINC000155089158 188181430 /nfs/dbraw/zinc/18/14/30/188181430.db2.gz OGFFQBPFLXHYTI-OAHLLOKOSA-N 0 3 266.344 3.216 20 30 CGEDHN Clc1cccc(C#CCN2CCC(n3ccnc3)CC2)c1 ZINC000156440445 188262491 /nfs/dbraw/zinc/26/24/91/188262491.db2.gz LTLLOMGYCHCEBI-UHFFFAOYSA-N 0 3 299.805 3.225 20 30 CGEDHN COc1ccccc1[C@@H](C)NCCOc1ccccc1C#N ZINC000271690722 191279483 /nfs/dbraw/zinc/27/94/83/191279483.db2.gz LRCIVOLSGCNLRD-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN N#Cc1csc(CNC23CC4CC(CC(C4)C2)C3)n1 ZINC000336402002 213259173 /nfs/dbraw/zinc/25/91/73/213259173.db2.gz KNKJVMYIVKWAIF-UHFFFAOYSA-N 0 3 273.405 3.073 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc3ccccc3n2)C1 ZINC000336252565 283065404 /nfs/dbraw/zinc/06/54/04/283065404.db2.gz UEJLFWZIXIBRMP-ZFWWWQNUSA-N 0 3 265.360 3.407 20 30 CGEDHN C[C@@H](NC[C@@](C)(O)c1cccs1)c1ccc(C#N)cc1 ZINC000271820698 191347024 /nfs/dbraw/zinc/34/70/24/191347024.db2.gz CGPOMHGONOEQHH-MLGOLLRUSA-N 0 3 286.400 3.178 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000271862036 191373526 /nfs/dbraw/zinc/37/35/26/191373526.db2.gz ZNNPLTCYJPEKEI-JQWIXIFHSA-N 0 3 271.763 3.457 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)cc1F ZINC000414350647 235394123 /nfs/dbraw/zinc/39/41/23/235394123.db2.gz QTKHRYJJZVDGMK-PSOPSSQASA-N 0 3 270.307 3.497 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H](CCO)C1CCCCC1 ZINC000428341649 236394128 /nfs/dbraw/zinc/39/41/28/236394128.db2.gz PNUNPEVDXHNHBI-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN CCSCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000340903657 215757300 /nfs/dbraw/zinc/75/73/00/215757300.db2.gz SGFQEHQQWPBSNL-UHFFFAOYSA-N 0 3 290.432 3.155 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCNc1c(C#N)cccc1C#N ZINC000436383893 237091366 /nfs/dbraw/zinc/09/13/66/237091366.db2.gz DNROYCMVPJBMBO-KBPBESRZSA-N 0 3 282.391 3.105 20 30 CGEDHN C=CCC[C@H](NCC(=O)NCc1ccco1)c1ccccc1 ZINC000178756388 189143274 /nfs/dbraw/zinc/14/32/74/189143274.db2.gz FHEDKUKXNCLOMM-KRWDZBQOSA-N 0 3 298.386 3.193 20 30 CGEDHN N#Cc1ccc(CN[C@H](CCO)C2CCCCC2)c(F)c1 ZINC000179340523 189187299 /nfs/dbraw/zinc/18/72/99/189187299.db2.gz SHFKYRBARUMVAZ-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@H](NC[C@H](c1ccco1)N(C)C)c1ccc(C#N)cc1 ZINC000020122201 299317401 /nfs/dbraw/zinc/31/74/01/299317401.db2.gz RJRUBESZANQIHE-XJKSGUPXSA-N 0 3 283.375 3.105 20 30 CGEDHN CC#CCN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179690436 189214163 /nfs/dbraw/zinc/21/41/63/189214163.db2.gz LOQRWDBIGUBLJI-OAHLLOKOSA-N 0 3 280.371 3.335 20 30 CGEDHN CN(C)C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000342223502 216268037 /nfs/dbraw/zinc/26/80/37/216268037.db2.gz HWBVLXKIQCQEEK-GOSISDBHSA-N 0 3 297.377 3.090 20 30 CGEDHN C[C@@H](O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181564697 189300914 /nfs/dbraw/zinc/30/09/14/189300914.db2.gz HBIGDEYYZZLIHD-UONOGXRCSA-N 0 3 280.371 3.462 20 30 CGEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1ccccn1 ZINC000181784740 189306603 /nfs/dbraw/zinc/30/66/03/189306603.db2.gz CCSMAQFKEMJIEL-CQSZACIVSA-N 0 3 281.359 3.073 20 30 CGEDHN CN(C)CCN(Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000342400511 216338824 /nfs/dbraw/zinc/33/88/24/216338824.db2.gz UPDCDFYGSYWJMB-UHFFFAOYSA-N 0 3 289.398 3.004 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C1(C)C ZINC000120574083 370781529 /nfs/dbraw/zinc/78/15/29/370781529.db2.gz YKVXGTFHSSNLET-HOTGVXAUSA-N 0 3 272.392 3.194 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C1(C)C ZINC000120574239 370781882 /nfs/dbraw/zinc/78/18/82/370781882.db2.gz YKVXGTFHSSNLET-HZPDHXFCSA-N 0 3 272.392 3.194 20 30 CGEDHN CC(C)[C@@H](NCc1cc(C#N)ccc1F)[C@@H](CO)C(C)C ZINC000451591654 240332002 /nfs/dbraw/zinc/33/20/02/240332002.db2.gz BAINLVSNVBWWCV-DOTOQJQBSA-N 0 3 292.398 3.076 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1cccc(OC(C)C)c1 ZINC000120662583 370788491 /nfs/dbraw/zinc/78/84/91/370788491.db2.gz QOVWYFRHHFGYSZ-INIZCTEOSA-N 0 3 277.408 3.233 20 30 CGEDHN CCN1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000120806749 370801741 /nfs/dbraw/zinc/80/17/41/370801741.db2.gz YNCNLZIXIVZUKT-UHFFFAOYSA-N 0 3 297.324 3.473 20 30 CGEDHN C=C(C)CNCc1cccc(Br)c1OC ZINC000275850310 193147264 /nfs/dbraw/zinc/14/72/64/193147264.db2.gz HTYJUCSSSXFXBA-UHFFFAOYSA-N 0 3 270.170 3.123 20 30 CGEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)C12CCC2 ZINC000459774458 242226192 /nfs/dbraw/zinc/22/61/92/242226192.db2.gz UDXDHSLDKQAZBZ-CABCVRRESA-N 0 3 290.794 3.259 20 30 CGEDHN CCC[C@H](NCC(=O)Nc1sccc1C#N)C1CCC1 ZINC000459790227 242234356 /nfs/dbraw/zinc/23/43/56/242234356.db2.gz GLUVJQVSYATUFH-ZDUSSCGKSA-N 0 3 291.420 3.117 20 30 CGEDHN N#Cc1cccc(OCCN2CC[C@H]2Cc2ccccc2)c1 ZINC000479100421 243092836 /nfs/dbraw/zinc/09/28/36/243092836.db2.gz LOWADNCCADIHRE-SFHVURJKSA-N 0 3 292.382 3.254 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H]2C)cc1OC ZINC000124350046 370923657 /nfs/dbraw/zinc/92/36/57/370923657.db2.gz ZYDAZFNTFMKYCA-ZDUSSCGKSA-N 0 3 261.365 3.244 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000125941548 370942866 /nfs/dbraw/zinc/94/28/66/370942866.db2.gz NPDJMZZQJKRKAF-INIZCTEOSA-N 0 3 288.435 3.240 20 30 CGEDHN C=CCCCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000537681674 376193723 /nfs/dbraw/zinc/19/37/23/376193723.db2.gz RWWFOCLZLLJTTA-HNNXBMFYSA-N 0 3 276.399 3.471 20 30 CGEDHN CN(CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000034651723 368976812 /nfs/dbraw/zinc/97/68/12/368976812.db2.gz COEVLPZIOTTYEG-UHFFFAOYSA-N 0 3 266.344 3.069 20 30 CGEDHN CN(C)[C@@H](CNc1cccc(F)c1C#N)c1ccsc1 ZINC000045733262 369285199 /nfs/dbraw/zinc/28/51/99/369285199.db2.gz YTLFYBPKIWTKMI-HNNXBMFYSA-N 0 3 289.379 3.474 20 30 CGEDHN C[C@@H](c1cccs1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000049726756 369414780 /nfs/dbraw/zinc/41/47/80/369414780.db2.gz LBUMSCOSIUMFRE-WFASDCNBSA-N 0 3 286.400 3.346 20 30 CGEDHN C=CCN(CCC(=O)NC1CCCC1)Cc1ccccc1 ZINC000060467846 369587853 /nfs/dbraw/zinc/58/78/53/369587853.db2.gz NUWLZGCOGGCVOY-UHFFFAOYSA-N 0 3 286.419 3.124 20 30 CGEDHN C=CCN(CCc1cnn(CC)c1)Cc1ccc(OC)cc1 ZINC000276356396 193299086 /nfs/dbraw/zinc/29/90/86/193299086.db2.gz XPYGMRCKPJOMCH-UHFFFAOYSA-N 0 3 299.418 3.142 20 30 CGEDHN N#CCCCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381980 369946819 /nfs/dbraw/zinc/94/68/19/369946819.db2.gz IUAZFDLAEUZOFV-CQSZACIVSA-N 0 3 272.348 3.246 20 30 CGEDHN C=CCc1cc(CN2CC[C@@H](C)[C@H]2C)cc(OC)c1O ZINC000091859677 370076804 /nfs/dbraw/zinc/07/68/04/370076804.db2.gz OQHPTTHSTXVPLB-CHWSQXEVSA-N 0 3 275.392 3.360 20 30 CGEDHN C=CCOc1ccccc1CN(C)CC1CCOCC1 ZINC000093284642 370115690 /nfs/dbraw/zinc/11/56/90/370115690.db2.gz ODADBXQHHCCOOY-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1c[nH]c(C(=O)OC)c1 ZINC000092505685 370098201 /nfs/dbraw/zinc/09/82/01/370098201.db2.gz OXKPMBGZKVCBIO-UHFFFAOYSA-N 0 3 298.386 3.032 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)cs2)C1(C)C ZINC000093605414 370146836 /nfs/dbraw/zinc/14/68/36/370146836.db2.gz OHRFGJFCWDDKJE-KGLIPLIRSA-N 0 3 278.421 3.255 20 30 CGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCCC#N ZINC000102400465 370303712 /nfs/dbraw/zinc/30/37/12/370303712.db2.gz XVDYTNAVIUOEKY-KGLIPLIRSA-N 0 3 295.427 3.058 20 30 CGEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)c1 ZINC000134228614 371313167 /nfs/dbraw/zinc/31/31/67/371313167.db2.gz RRKKLFOAHVDUOT-LIRRHRJNSA-N 0 3 292.382 3.382 20 30 CGEDHN CC[C@@H](NCCc1nnc(C)s1)c1ccc(C#N)cc1 ZINC000289670796 371788461 /nfs/dbraw/zinc/78/84/61/371788461.db2.gz HFCBCKKMCMZICY-CQSZACIVSA-N 0 3 286.404 3.002 20 30 CGEDHN CCN(Cc1cc(F)ccc1C#N)[C@H]1CCOC(C)(C)C1 ZINC000289910358 371851939 /nfs/dbraw/zinc/85/19/39/371851939.db2.gz TTYKXDHTZSWRHW-INIZCTEOSA-N 0 3 290.382 3.477 20 30 CGEDHN N#Cc1c(CN2CCC[C@H](C3CC3)C2)cn2ccccc12 ZINC000344105427 217051731 /nfs/dbraw/zinc/05/17/31/217051731.db2.gz PLYYGIIPNIVXJE-HNNXBMFYSA-N 0 3 279.387 3.433 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C3CC3)C2)cc1C#N ZINC000344092281 217046665 /nfs/dbraw/zinc/04/66/65/217046665.db2.gz JXLOFKYPDLUVSH-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(Cl)c2)n1 ZINC000155404559 371926421 /nfs/dbraw/zinc/92/64/21/371926421.db2.gz BLZRIOSLNXNVCD-NSHDSACASA-N 0 3 291.763 3.351 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000156418031 371978736 /nfs/dbraw/zinc/97/87/36/371978736.db2.gz PHGADODNHGDTBN-FPMFFAJLSA-N 0 3 251.370 3.466 20 30 CGEDHN CC(C)C(=O)CCN(Cc1ccc(C#N)cc1)C(C)C ZINC000290461806 371993757 /nfs/dbraw/zinc/99/37/57/371993757.db2.gz WMTKFPDGMBBHHG-UHFFFAOYSA-N 0 3 272.392 3.384 20 30 CGEDHN CC#CCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000157640027 372031044 /nfs/dbraw/zinc/03/10/44/372031044.db2.gz WRUMLUAFPIBWFB-ZDUSSCGKSA-N 0 3 254.333 3.031 20 30 CGEDHN C[C@@H](NCCCC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000344156740 217080274 /nfs/dbraw/zinc/08/02/74/217080274.db2.gz AVYRLLWETSPGHN-CYBMUJFWSA-N 0 3 288.391 3.331 20 30 CGEDHN C[C@H]1C[C@H](Nc2c(C#N)cnc3ccccc32)CN1C1CC1 ZINC000290529770 372010687 /nfs/dbraw/zinc/01/06/87/372010687.db2.gz DBSHZMABSFRPRV-JSGCOSHPSA-N 0 3 292.386 3.144 20 30 CGEDHN C=CCn1cc(CNC[C@H](CC(C)C)c2ccccc2)nn1 ZINC000425348010 372122600 /nfs/dbraw/zinc/12/26/00/372122600.db2.gz DSXIUGQVCGPHCE-KRWDZBQOSA-N 0 3 298.434 3.384 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000158960936 372093625 /nfs/dbraw/zinc/09/36/25/372093625.db2.gz SIJYSXHNQLCIHM-OAHLLOKOSA-N 0 3 299.336 3.283 20 30 CGEDHN CC(C)N(CCc1nccs1)Cc1cccc(C#N)c1 ZINC000159731913 372173991 /nfs/dbraw/zinc/17/39/91/372173991.db2.gz ANDYQDWKMCYPGK-UHFFFAOYSA-N 0 3 285.416 3.468 20 30 CGEDHN N#CCCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427883477 372177058 /nfs/dbraw/zinc/17/70/58/372177058.db2.gz FCBRJEBRYPKIBR-LBPRGKRZSA-N 0 3 283.297 3.371 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427983270 372178774 /nfs/dbraw/zinc/17/87/74/372178774.db2.gz DOSJXFBEPKFORU-UONOGXRCSA-N 0 3 272.392 3.348 20 30 CGEDHN C=CCOc1ccc(CNC2CC(F)(F)C2)cc1 ZINC000428639500 372242889 /nfs/dbraw/zinc/24/28/89/372242889.db2.gz JUIDKXFBJQSVBV-UHFFFAOYSA-N 0 3 253.292 3.139 20 30 CGEDHN C=CCN(C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000428374828 372186430 /nfs/dbraw/zinc/18/64/30/372186430.db2.gz RBTQNBPATAKTGC-UHFFFAOYSA-N 0 3 261.756 3.348 20 30 CGEDHN C=CCC(C)(C)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000292493323 372194406 /nfs/dbraw/zinc/19/44/06/372194406.db2.gz AKHGBBQGTAXIJC-UHFFFAOYSA-N 0 3 289.423 3.472 20 30 CGEDHN Cc1ccccc1C(C)(C)NCc1cc(C#N)n(C)c1 ZINC000292967623 372263171 /nfs/dbraw/zinc/26/31/71/372263171.db2.gz KBFAKLNLMJGOCE-UHFFFAOYSA-N 0 3 267.376 3.230 20 30 CGEDHN C=C(CC)CN[C@H](C)[C@@H]1OCCc2sccc21 ZINC000429141540 372318407 /nfs/dbraw/zinc/31/84/07/372318407.db2.gz KLPZWVFPRALAJG-RISCZKNCSA-N 0 3 251.395 3.306 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1cc(C)nc(N2CCCC2)n1 ZINC000293218277 372328746 /nfs/dbraw/zinc/32/87/46/372328746.db2.gz AHDISKFQUWRNNG-UKRRQHHQSA-N 0 3 288.439 3.076 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000429706744 372377924 /nfs/dbraw/zinc/37/79/24/372377924.db2.gz HGJXUODMIIMWFQ-CQSZACIVSA-N 0 3 291.395 3.096 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H]2CC)cc1OC ZINC000430205847 372385931 /nfs/dbraw/zinc/38/59/31/372385931.db2.gz NQYVLGJBMFYIRI-AWEZNQCLSA-N 0 3 261.365 3.244 20 30 CGEDHN N#CCCC[C@@H](NCC(=O)NC1CCCC1)c1ccccc1 ZINC000433033443 372577646 /nfs/dbraw/zinc/57/76/46/372577646.db2.gz VOBPCVPEMDOJBQ-QGZVFWFLSA-N 0 3 299.418 3.070 20 30 CGEDHN Cc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433118513 372582164 /nfs/dbraw/zinc/58/21/64/372582164.db2.gz XGLLJXDIMQAXMQ-QGZVFWFLSA-N 0 3 292.382 3.384 20 30 CGEDHN Cc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)o1 ZINC000433123443 372582430 /nfs/dbraw/zinc/58/24/30/372582430.db2.gz UXIVLTQOUXVBRO-INIZCTEOSA-N 0 3 296.370 3.319 20 30 CGEDHN C=C(CC)CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433302889 372584918 /nfs/dbraw/zinc/58/49/18/372584918.db2.gz JYYFBROMZYILNL-INIZCTEOSA-N 0 3 259.393 3.446 20 30 CGEDHN C=CC[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168129986 372606946 /nfs/dbraw/zinc/60/69/46/372606946.db2.gz VYRUIMPKMHZONU-VIFPVBQESA-N 0 3 254.717 3.302 20 30 CGEDHN C=CCc1cc(CN2CCC(CF)CC2)cc(OC)c1O ZINC000294935911 372679707 /nfs/dbraw/zinc/67/97/07/372679707.db2.gz BYCVQHYGAROCHF-UHFFFAOYSA-N 0 3 293.382 3.311 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000434586227 372692941 /nfs/dbraw/zinc/69/29/41/372692941.db2.gz MXXKDPUGLIUNRH-RHSMWYFYSA-N 0 3 270.376 3.017 20 30 CGEDHN COCc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353388029 220058403 /nfs/dbraw/zinc/05/84/03/220058403.db2.gz PKTSOODUCFCDFU-IBGZPJMESA-N 0 3 292.382 3.482 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(Cl)o1 ZINC000435738406 372799214 /nfs/dbraw/zinc/79/92/14/372799214.db2.gz AGGMWPZKOVUTGG-MFKMUULPSA-N 0 3 255.745 3.004 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1coc(-c2ccccc2)n1 ZINC000435743818 372801847 /nfs/dbraw/zinc/80/18/47/372801847.db2.gz UMYNTBATSIZBII-DOTOQJQBSA-N 0 3 298.386 3.412 20 30 CGEDHN C#CCCOc1ccc(CNCc2ccsc2)cc1 ZINC000172113842 372907585 /nfs/dbraw/zinc/90/75/85/372907585.db2.gz HFNCXWIBNCCDFA-UHFFFAOYSA-N 0 3 271.385 3.440 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCc2nc(-c3ccccn3)cs2)C1 ZINC000442821612 373096341 /nfs/dbraw/zinc/09/63/41/373096341.db2.gz BRNSTLSLLUFGPT-CHWSQXEVSA-N 0 3 298.415 3.029 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C ZINC000173211376 373109908 /nfs/dbraw/zinc/10/99/08/373109908.db2.gz MWLCLAPZVOLRDT-WFASDCNBSA-N 0 3 260.381 3.270 20 30 CGEDHN N#Cc1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000174248152 373274123 /nfs/dbraw/zinc/27/41/23/373274123.db2.gz BMNHBNQEZNFHBT-UHFFFAOYSA-N 0 3 297.383 3.046 20 30 CGEDHN Cc1cc(Br)ccc1CN(C)CCCC#N ZINC000444706871 373244758 /nfs/dbraw/zinc/24/47/58/373244758.db2.gz OZLDUDSHMQSVTJ-UHFFFAOYSA-N 0 3 281.197 3.493 20 30 CGEDHN C=CC[C@H]1N(Cc2cc(C)n(C)n2)CCCC1(C)C ZINC000444773941 373269987 /nfs/dbraw/zinc/26/99/87/373269987.db2.gz GXTGYXPIEBCCJJ-OAHLLOKOSA-N 0 3 261.413 3.295 20 30 CGEDHN Cc1ccnc([C@H](C)NCCc2cccc(C#N)c2)c1 ZINC000353596386 220181883 /nfs/dbraw/zinc/18/18/83/220181883.db2.gz QKFPGBLISQJALE-AWEZNQCLSA-N 0 3 265.360 3.155 20 30 CGEDHN CC[C@@H](NCc1ccc(OC)nc1)c1ccc(C#N)cc1 ZINC000447526027 373443922 /nfs/dbraw/zinc/44/39/22/373443922.db2.gz BYCPGIBITQGXJR-MRXNPFEDSA-N 0 3 281.359 3.203 20 30 CGEDHN C=CCC1(C(=O)N(C)C2CCN(C)CC2)CCCCC1 ZINC000448559306 373594853 /nfs/dbraw/zinc/59/48/53/373594853.db2.gz YNTDHYRPPMUBGZ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC1CCN(Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449037317 373657197 /nfs/dbraw/zinc/65/71/97/373657197.db2.gz YLXSCYFBMDGSLX-UHFFFAOYSA-N 0 3 297.402 3.279 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000176970479 373645134 /nfs/dbraw/zinc/64/51/34/373645134.db2.gz BEXJJCFGEYVWEK-CQSZACIVSA-N 0 3 297.427 3.378 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cccc(C#N)c1 ZINC000177353098 373677523 /nfs/dbraw/zinc/67/75/23/373677523.db2.gz ZRMRZDDUMSPSHO-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C=CC[C@H]1N(Cc2ccnc(OC)n2)CCCC1(C)C ZINC000449284414 373677534 /nfs/dbraw/zinc/67/75/34/373677534.db2.gz OTVNDFONWHJELQ-CQSZACIVSA-N 0 3 275.396 3.052 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449350869 373683124 /nfs/dbraw/zinc/68/31/24/373683124.db2.gz XJZQAEIAMBQOAE-SCRDCRAPSA-N 0 3 273.336 3.328 20 30 CGEDHN C=CCCCC[C@H](C)NCc1nnc(C(C)C)[nH]1 ZINC000449404835 373686011 /nfs/dbraw/zinc/68/60/11/373686011.db2.gz FUSBBZHRSBBSIX-LBPRGKRZSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCCCC[C@H](C)[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000449404835 373686026 /nfs/dbraw/zinc/68/60/26/373686026.db2.gz FUSBBZHRSBBSIX-LBPRGKRZSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCCCNCc1cc2c(cc1Br)OCO2 ZINC000302105977 373820080 /nfs/dbraw/zinc/82/00/80/373820080.db2.gz MCYUNVHGVRUKGQ-UHFFFAOYSA-N 0 3 298.180 3.234 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC(F)F)cc1 ZINC000449548616 373830407 /nfs/dbraw/zinc/83/04/07/373830407.db2.gz OZZLWXFBPHDAOX-CABCVRRESA-N 0 3 297.345 3.154 20 30 CGEDHN C=CCC1(CNCc2nc(C#N)cs2)CCCC1 ZINC000449605753 373834820 /nfs/dbraw/zinc/83/48/20/373834820.db2.gz OEMCMMKRTIMTIZ-UHFFFAOYSA-N 0 3 261.394 3.241 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](O)CC(C)(C)C1 ZINC000449619377 373835706 /nfs/dbraw/zinc/83/57/06/373835706.db2.gz PGQBBYKZWBUWEQ-INIZCTEOSA-N 0 3 289.419 3.234 20 30 CGEDHN C[C@]12CN(Cc3ccc(C#N)o3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000449762951 373892474 /nfs/dbraw/zinc/89/24/74/373892474.db2.gz NDAYQUCQMMBLIQ-GUYJKWIASA-N 0 3 256.349 3.019 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449697439 373844293 /nfs/dbraw/zinc/84/42/93/373844293.db2.gz KZHILXBJLILLST-CMPLNLGQSA-N 0 3 285.309 3.008 20 30 CGEDHN C=CCC[C@H](CO)NCc1cc2cc(C)c(C)cc2o1 ZINC000449696686 373844910 /nfs/dbraw/zinc/84/49/10/373844910.db2.gz IXEHEUNPLQBLCX-OAHLLOKOSA-N 0 3 273.376 3.466 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449702386 373847346 /nfs/dbraw/zinc/84/73/46/373847346.db2.gz ZEAXNQGMCRXLMA-AWEZNQCLSA-N 0 3 292.379 3.135 20 30 CGEDHN COc1ccc(F)cc1[C@H](C)NCCCSCC#N ZINC000179958742 373946944 /nfs/dbraw/zinc/94/69/44/373946944.db2.gz FXXCIVQIBIBQDA-NSHDSACASA-N 0 3 282.384 3.132 20 30 CGEDHN C=CCCCN(C)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449898171 373961462 /nfs/dbraw/zinc/96/14/62/373961462.db2.gz CZSCMCKRQSGCNM-MRXNPFEDSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CCC1(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CCCC1 ZINC000449803792 373932265 /nfs/dbraw/zinc/93/22/65/373932265.db2.gz MEYHJZWTCZFBJE-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](CCC)CC(C)C)CC1 ZINC000449843170 373941817 /nfs/dbraw/zinc/94/18/17/373941817.db2.gz HEQGJDJRJWVWCW-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C[C@H](NCCCC(C)(C)CO)c1ccc(C#N)cc1F ZINC000305796465 374113320 /nfs/dbraw/zinc/11/33/20/374113320.db2.gz AQLFYBYTJMKXCU-LBPRGKRZSA-N 0 3 278.371 3.147 20 30 CGEDHN C[C@@H](N[C@H](CO)CC(C)(C)C)c1ccc(C#N)cc1F ZINC000305822325 374117235 /nfs/dbraw/zinc/11/72/35/374117235.db2.gz PIPJAAUUBPFVMM-YPMHNXCESA-N 0 3 278.371 3.145 20 30 CGEDHN C=C(C)CN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181302964 374106004 /nfs/dbraw/zinc/10/60/04/374106004.db2.gz XCFJLEFJRADVFP-OAHLLOKOSA-N 0 3 282.391 3.227 20 30 CGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc2[nH]cnc2c1 ZINC000329840741 374435831 /nfs/dbraw/zinc/43/58/31/374435831.db2.gz JUMASVXWQBWKFQ-GHMZBOCLSA-N 0 3 272.352 3.024 20 30 CGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329840741 374435838 /nfs/dbraw/zinc/43/58/38/374435838.db2.gz JUMASVXWQBWKFQ-GHMZBOCLSA-N 0 3 272.352 3.024 20 30 CGEDHN N#CC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCCCC1 ZINC000329936114 374441949 /nfs/dbraw/zinc/44/19/49/374441949.db2.gz CVXIPANAMMCLQP-HNNXBMFYSA-N 0 3 289.423 3.434 20 30 CGEDHN C[C@H](C#N)CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000183818228 374461607 /nfs/dbraw/zinc/46/16/07/374461607.db2.gz LSSGAFLUNDINRQ-CYBMUJFWSA-N 0 3 291.826 3.054 20 30 CGEDHN CC#CCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000185035751 374579304 /nfs/dbraw/zinc/57/93/04/374579304.db2.gz BVFVJRQMQDVQSK-SFHVURJKSA-N 0 3 298.430 3.133 20 30 CGEDHN COC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185871720 374758159 /nfs/dbraw/zinc/75/81/59/374758159.db2.gz WGAIJHXQLRLYND-CWRNSKLLSA-N 0 3 258.365 3.046 20 30 CGEDHN CC[C@H]1[C@@H](C)CCN1Cc1cc(C#N)ccc1OC ZINC000185680341 374711631 /nfs/dbraw/zinc/71/16/31/374711631.db2.gz FJHUPFXGYYBZRH-WFASDCNBSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000185813160 374742187 /nfs/dbraw/zinc/74/21/87/374742187.db2.gz UYYPBGHCECNBHM-KCQAQPDRSA-N 0 3 286.375 3.191 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1sccc1OC ZINC000186232398 374818424 /nfs/dbraw/zinc/81/84/24/374818424.db2.gz VIFFAOCXSVYYOL-NSHDSACASA-N 0 3 255.383 3.000 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185961531 374775031 /nfs/dbraw/zinc/77/50/31/374775031.db2.gz KQYSRQSITDWACB-SWLSCSKDSA-N 0 3 294.826 3.071 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CCCC1 ZINC000334565656 374865068 /nfs/dbraw/zinc/86/50/68/374865068.db2.gz QBTCRSRZQUNYMG-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OCC ZINC000186703095 374901971 /nfs/dbraw/zinc/90/19/71/374901971.db2.gz JGDADHSDQUPXSG-WCQYABFASA-N 0 3 283.799 3.326 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000186695155 374900054 /nfs/dbraw/zinc/90/00/54/374900054.db2.gz WHWGQEOVYJNNGP-QWRGUYRKSA-N 0 3 273.298 3.293 20 30 CGEDHN CC(C#N)C(=O)NC1(Cc2ccccc2)CCCCC1 ZINC000469235487 374987688 /nfs/dbraw/zinc/98/76/88/374987688.db2.gz KLNCDRSAIWIUOR-CQSZACIVSA-N 0 3 270.376 3.208 20 30 CGEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(C)C#N)cc1 ZINC000469579719 374990262 /nfs/dbraw/zinc/99/02/62/374990262.db2.gz AGLCCOZXFAZCAB-VNQPRFMTSA-N 0 3 270.376 3.249 20 30 CGEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(C)C#N ZINC000469580365 374990270 /nfs/dbraw/zinc/99/02/70/374990270.db2.gz JNIGGUHDHVVZET-GOEBONIOSA-N 0 3 272.392 3.324 20 30 CGEDHN C[C@H](NC[C@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000187844548 375105871 /nfs/dbraw/zinc/10/58/71/375105871.db2.gz UNZDIYIBMVPWRU-SWLSCSKDSA-N 0 3 258.365 3.166 20 30 CGEDHN C=C(C)COc1cc(CN[C@@H](C)[C@H](C)OC)ccc1OC ZINC000189122297 375329656 /nfs/dbraw/zinc/32/96/56/375329656.db2.gz KMXBXYSQVOZYLA-KBPBESRZSA-N 0 3 293.407 3.163 20 30 CGEDHN Cc1cc([C@@H](C)NCc2cc(C#N)n(C)c2)c(C)s1 ZINC000189586425 375418384 /nfs/dbraw/zinc/41/83/84/375418384.db2.gz CXIAXVCBGRFZFM-LLVKDONJSA-N 0 3 273.405 3.426 20 30 CGEDHN CC#CCCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496758624 375554621 /nfs/dbraw/zinc/55/46/21/375554621.db2.gz YFSKZRSLPBJGTB-CQSZACIVSA-N 0 3 286.375 3.049 20 30 CGEDHN CCCN(CC1(C#N)CC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502918635 375648480 /nfs/dbraw/zinc/64/84/80/375648480.db2.gz JDNGIWPKJSEWCA-OAHLLOKOSA-N 0 3 299.418 3.419 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(OCC2CC2)cc1 ZINC000191758635 375659306 /nfs/dbraw/zinc/65/93/06/375659306.db2.gz XLPWHWANVLRAAP-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN Cc1cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1C#N ZINC000336096250 375683896 /nfs/dbraw/zinc/68/38/96/375683896.db2.gz XPIOKURHLMRJRY-KDOFPFPSSA-N 0 3 294.402 3.146 20 30 CGEDHN C[C@]12CCN(Cc3cccc(C#N)c3)C[C@H]1C2(F)F ZINC000336114807 375697075 /nfs/dbraw/zinc/69/70/75/375697075.db2.gz CEVLJSIACTXSPU-KGLIPLIRSA-N 0 3 262.303 3.035 20 30 CGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H]1COc2ccccc21 ZINC000192186211 375708349 /nfs/dbraw/zinc/70/83/49/375708349.db2.gz YSIVVJSTAOEKFG-BLLLJJGKSA-N 0 3 296.345 3.352 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000336159194 375735786 /nfs/dbraw/zinc/73/57/86/375735786.db2.gz OSECVPXRDKSUEA-UKRRQHHQSA-N 0 3 290.794 3.070 20 30 CGEDHN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000336396309 375788834 /nfs/dbraw/zinc/78/88/34/375788834.db2.gz IJSUFLSORPZVIJ-KRWDZBQOSA-N 0 3 263.344 3.039 20 30 CGEDHN C=CCCCCCN1CCCN(CC(F)(F)F)CC1 ZINC000193306850 375856691 /nfs/dbraw/zinc/85/66/91/375856691.db2.gz RKSZZILSGQOYHW-UHFFFAOYSA-N 0 3 278.362 3.303 20 30 CGEDHN C=CCCCN(CC)Cc1ccc(OC)cc1OC ZINC000522775603 375879489 /nfs/dbraw/zinc/87/94/89/375879489.db2.gz IZXCIBHJVIGRQR-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C[C@@H]1CC(F)(F)CCN1Cc1ccc(CC#N)cc1 ZINC000528765353 375909748 /nfs/dbraw/zinc/90/97/48/375909748.db2.gz BHYWHWQVJFQUFW-GFCCVEGCSA-N 0 3 264.319 3.372 20 30 CGEDHN C=CCNC(=O)CN(CC(C)C)[C@@H](CC)c1ccccc1 ZINC000533522652 375954777 /nfs/dbraw/zinc/95/47/77/375954777.db2.gz GRPOJSUJLUYFCU-KRWDZBQOSA-N 0 3 288.435 3.398 20 30 CGEDHN C=CCOc1cccc(CN2CCC(CCOC)CC2)c1 ZINC000529637352 375930425 /nfs/dbraw/zinc/93/04/25/375930425.db2.gz QOXUOBDCVDHWHG-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000530823653 375943166 /nfs/dbraw/zinc/94/31/66/375943166.db2.gz KHPATDOOKJIYKR-GFCCVEGCSA-N 0 3 290.794 3.281 20 30 CGEDHN C=C(C)CN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535377320 376037216 /nfs/dbraw/zinc/03/72/16/376037216.db2.gz DSCVPKRPIVFGQW-CQSZACIVSA-N 0 3 251.757 3.369 20 30 CGEDHN N#Cc1cccc(OCCCN2CCc3ccccc3C2)c1 ZINC000195577844 376113933 /nfs/dbraw/zinc/11/39/33/376113933.db2.gz XKGIMJWIYIHRHG-UHFFFAOYSA-N 0 3 292.382 3.385 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000337197729 376130698 /nfs/dbraw/zinc/13/06/98/376130698.db2.gz YXNHTTRQBCXUHE-KBXCAEBGSA-N 0 3 298.430 3.003 20 30 CGEDHN N#Cc1ccc(CNC2(c3ccccc3)CCOCC2)s1 ZINC000537297659 376160454 /nfs/dbraw/zinc/16/04/54/376160454.db2.gz NVRPVHYBZZEKKA-UHFFFAOYSA-N 0 3 298.411 3.415 20 30 CGEDHN C[C@@H](Cc1ccncc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000337313884 376210922 /nfs/dbraw/zinc/21/09/22/376210922.db2.gz HGQZYUQEDIKGKT-STQMWFEESA-N 0 3 283.350 3.374 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](CC2CCC2)c2ccccc2)C1=O ZINC000337189785 376125257 /nfs/dbraw/zinc/12/52/57/376125257.db2.gz RZDVLOLCJJYISA-ZWKOTPCHSA-N 0 3 298.430 3.294 20 30 CGEDHN CC(C)(C#N)CN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337517972 376227437 /nfs/dbraw/zinc/22/74/37/376227437.db2.gz WEPDAOKWEBZZHJ-ZFWWWQNUSA-N 0 3 257.381 3.247 20 30 CGEDHN CS[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000227597637 376400730 /nfs/dbraw/zinc/40/07/30/376400730.db2.gz BYTVPKPQWYFSGB-UONOGXRCSA-N 0 3 278.396 3.461 20 30 CGEDHN C[C@@H](N[C@@H]1COc2ccccc2C1)c1ccc(C#N)cc1F ZINC000540976594 376409896 /nfs/dbraw/zinc/40/98/96/376409896.db2.gz QXFZMNNQWGALON-DOMZBBRYSA-N 0 3 296.345 3.352 20 30 CGEDHN C[C@@H](NC[C@@H](C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000338380925 376356856 /nfs/dbraw/zinc/35/68/56/376356856.db2.gz PILLQEUYOFTWKE-NXEZZACHSA-N 0 3 256.271 3.407 20 30 CGEDHN C[C@@H]1CC(CCNCc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000338476034 376385941 /nfs/dbraw/zinc/38/59/41/376385941.db2.gz FPNZUHIEJZFGSI-CHWSQXEVSA-N 0 3 290.382 3.381 20 30 CGEDHN CCCCN1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000540609145 376386266 /nfs/dbraw/zinc/38/62/66/376386266.db2.gz CYEABXPGRGUJIL-CQSZACIVSA-N 0 3 291.464 3.364 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000542760459 376574573 /nfs/dbraw/zinc/57/45/73/376574573.db2.gz FDCPRDYHWFYUTN-HUUCEWRRSA-N 0 3 295.471 3.103 20 30 CGEDHN C=CCOCCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000338920300 376575453 /nfs/dbraw/zinc/57/54/53/376575453.db2.gz LKRWNLRQRGEGJB-UHFFFAOYSA-N 0 3 287.403 3.092 20 30 CGEDHN CC(C)[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000232314256 376579132 /nfs/dbraw/zinc/57/91/32/376579132.db2.gz PZXFXJWAGNPNML-KRWDZBQOSA-N 0 3 267.376 3.384 20 30 CGEDHN CCc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000234194517 376612028 /nfs/dbraw/zinc/61/20/28/376612028.db2.gz LDKFGQJFDRPJGW-UHFFFAOYSA-N 0 3 280.371 3.419 20 30 CGEDHN N#Cc1c(CN2CC[C@H](CC3CC3)C2)cn2ccccc12 ZINC000339671346 376799639 /nfs/dbraw/zinc/79/96/39/376799639.db2.gz GXAQDDYVDCIILC-OAHLLOKOSA-N 0 3 279.387 3.433 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](CC3CC3)C2)cc1F ZINC000339682602 376810470 /nfs/dbraw/zinc/81/04/70/376810470.db2.gz KOTDETGUXLTZNN-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@H](NCc1ccc2c[nH]nc2c1)c1ccc(C#N)cc1 ZINC000340173210 376936247 /nfs/dbraw/zinc/93/62/47/376936247.db2.gz PPDXVNMOBRWJLR-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN C#CCN(CCc1scnc1C)C1CCCCC1 ZINC000738310295 572370528 /nfs/dbraw/zinc/37/05/28/572370528.db2.gz VWLLPYGJOFBYCZ-UHFFFAOYSA-N 0 3 262.422 3.262 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C#N)cc1 ZINC000340443138 377060315 /nfs/dbraw/zinc/06/03/15/377060315.db2.gz DHAYMCRWBPJGAM-LRDDRELGSA-N 0 3 281.359 3.461 20 30 CGEDHN C[C@@H](COc1cccc(F)c1)NCc1cccc(C#N)c1 ZINC000340451536 377066714 /nfs/dbraw/zinc/06/67/14/377066714.db2.gz NZBGCSXGKCUNFZ-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN N#CC1(CN[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000562629458 377338788 /nfs/dbraw/zinc/33/87/88/377338788.db2.gz QGELXILYZGZESO-CVEARBPZSA-N 0 3 254.377 3.291 20 30 CGEDHN C=CCNC(=O)CN([C@@H](C)c1ccccc1)C1CCCC1 ZINC000565742347 377489236 /nfs/dbraw/zinc/48/92/36/377489236.db2.gz CJOLUUIAESUQHQ-HNNXBMFYSA-N 0 3 286.419 3.294 20 30 CGEDHN C[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CCN1C ZINC000090794959 249029355 /nfs/dbraw/zinc/02/93/55/249029355.db2.gz QZQLLSZCUOESOE-GWCFXTLKSA-N 0 3 263.772 3.106 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000568101758 377513789 /nfs/dbraw/zinc/51/37/89/377513789.db2.gz UAIZNVXMWOVELN-HIFRSBDPSA-N 0 3 272.392 3.310 20 30 CGEDHN COc1cc([C@@H](C)NCCCC#N)ccc1OC(C)C ZINC000341659301 377613205 /nfs/dbraw/zinc/61/32/05/377613205.db2.gz NNRIOWZJXYKDJW-CYBMUJFWSA-N 0 3 276.380 3.437 20 30 CGEDHN CC(C)(CCC#N)CNCc1nccn1-c1ccccc1 ZINC000342275518 377637607 /nfs/dbraw/zinc/63/76/07/377637607.db2.gz IWFTVUPXPHBDSN-UHFFFAOYSA-N 0 3 282.391 3.292 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)CC[C@@H]1CCCO1 ZINC000342609276 377690614 /nfs/dbraw/zinc/69/06/14/377690614.db2.gz UWTLZALKJXNCMV-INIZCTEOSA-N 0 3 277.795 3.192 20 30 CGEDHN CCO[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C ZINC000342810292 377809016 /nfs/dbraw/zinc/80/90/16/377809016.db2.gz QHHKZCGGJVCCJO-CVEARBPZSA-N 0 3 284.403 3.341 20 30 CGEDHN Cc1ccn2c(CN[C@H](C)c3ccc(C#N)cc3)cnc2c1 ZINC000343194744 377925386 /nfs/dbraw/zinc/92/53/86/377925386.db2.gz XSLKUEQHENGMCB-CQSZACIVSA-N 0 3 290.370 3.365 20 30 CGEDHN CC[C@@H](C)N[C@H](CNc1nccc(C)c1C#N)c1ccco1 ZINC000343269093 377944257 /nfs/dbraw/zinc/94/42/57/377944257.db2.gz HQQPFRQGXSQGGR-UKRRQHHQSA-N 0 3 298.390 3.396 20 30 CGEDHN CCCN(CC1(C#N)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000343320769 377951689 /nfs/dbraw/zinc/95/16/89/377951689.db2.gz MNCHFSQPKAUPKG-UONOGXRCSA-N 0 3 264.413 3.206 20 30 CGEDHN C=C1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000264455435 377986466 /nfs/dbraw/zinc/98/64/66/377986466.db2.gz IYZZTAZSTRIGIH-UHFFFAOYSA-N 0 3 283.375 3.321 20 30 CGEDHN C=CCC[C@H](C)NCc1ccncc1OCC(F)(F)F ZINC000343512704 378002160 /nfs/dbraw/zinc/00/21/60/378002160.db2.gz NDJVZWMYPZETMV-NSHDSACASA-N 0 3 288.313 3.467 20 30 CGEDHN N#CCCCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000267349523 378036614 /nfs/dbraw/zinc/03/66/14/378036614.db2.gz UPYOKYCMPRMGKG-UHFFFAOYSA-N 0 3 294.402 3.051 20 30 CGEDHN [NH2+]=C(NCc1c([O-])ccc2c1CCCC2)Nc1ccccc1 ZINC000267429179 378038911 /nfs/dbraw/zinc/03/89/11/378038911.db2.gz MCVHSVXHYSVSEO-UHFFFAOYSA-N 0 3 295.386 3.198 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000268632169 378083975 /nfs/dbraw/zinc/08/39/75/378083975.db2.gz KQSIWTJTIPPWEZ-WFASDCNBSA-N 0 3 251.345 3.146 20 30 CGEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC000343674863 378062682 /nfs/dbraw/zinc/06/26/82/378062682.db2.gz ODWKHERCLPYYLX-GOEBONIOSA-N 0 3 298.386 3.190 20 30 CGEDHN C=CCOc1ccc(CN(C)CCCSC)cc1OC ZINC000343675127 378063064 /nfs/dbraw/zinc/06/30/64/378063064.db2.gz JVFAANNJBMGATG-UHFFFAOYSA-N 0 3 295.448 3.445 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](c1ncccc1C)C(C)C ZINC000268526898 378070540 /nfs/dbraw/zinc/07/05/40/378070540.db2.gz HJXKQPZQMDUHAB-CABCVRRESA-N 0 3 262.397 3.004 20 30 CGEDHN CC(C)[C@@H](C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000578450388 378071021 /nfs/dbraw/zinc/07/10/21/378071021.db2.gz YCEFLEUVCAZENI-RHSMWYFYSA-N 0 3 299.418 3.030 20 30 CGEDHN C=C(CC)CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000580014643 378216659 /nfs/dbraw/zinc/21/66/59/378216659.db2.gz WVZLKVJAODHUHZ-QGZVFWFLSA-N 0 3 257.377 3.422 20 30 CGEDHN CCO[C@@H](CCNCc1ccc(C#N)cc1F)C(C)C ZINC000269411389 378218897 /nfs/dbraw/zinc/21/88/97/378218897.db2.gz JILZRVZPHIQFSV-INIZCTEOSA-N 0 3 278.371 3.238 20 30 CGEDHN C=CCCCNCc1nc2ccc(F)cc2s1 ZINC000582042876 378281347 /nfs/dbraw/zinc/28/13/47/378281347.db2.gz SCCLIVLTTPQTBP-UHFFFAOYSA-N 0 3 250.342 3.491 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000583721676 378341778 /nfs/dbraw/zinc/34/17/78/378341778.db2.gz JSHKXMSXNSQEJS-JKSUJKDBSA-N 0 3 280.456 3.360 20 30 CGEDHN C[C@H](O)[C@H](NCC(C)(C)CCC#N)c1ccccc1F ZINC000583757229 378344526 /nfs/dbraw/zinc/34/45/26/378344526.db2.gz JKDJVYGHHZGPEL-WFASDCNBSA-N 0 3 278.371 3.167 20 30 CGEDHN CO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1(C)C ZINC000346127659 378472210 /nfs/dbraw/zinc/47/22/10/378472210.db2.gz CSKBWPMRYLJVGN-NZVBXONLSA-N 0 3 276.355 3.161 20 30 CGEDHN C#CCCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000270991250 378424008 /nfs/dbraw/zinc/42/40/08/378424008.db2.gz DWXZBZSVOPXTOD-CQSZACIVSA-N 0 3 297.402 3.349 20 30 CGEDHN CO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1(C)C ZINC000346127661 378471985 /nfs/dbraw/zinc/47/19/85/378471985.db2.gz CSKBWPMRYLJVGN-VCTAVGKDSA-N 0 3 276.355 3.161 20 30 CGEDHN Cc1nc(CCN[C@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000271937474 378524121 /nfs/dbraw/zinc/52/41/21/378524121.db2.gz NSHNDSSAXQOSDD-SNVBAGLBSA-N 0 3 289.379 3.356 20 30 CGEDHN C[C@H](NC[C@@](C)(O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271936684 378524482 /nfs/dbraw/zinc/52/44/82/378524482.db2.gz KKLXJTFOPBODRS-SCLBCKFNSA-N 0 3 298.361 3.256 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(CO)c1)c1ccc(C#N)cc1 ZINC000271971372 378533426 /nfs/dbraw/zinc/53/34/26/378533426.db2.gz NGCZOFFALVKRAH-KGLIPLIRSA-N 0 3 280.371 3.462 20 30 CGEDHN C=CCN(CCC[C@@H]1CCO1)Cc1cccs1 ZINC000637871507 378608590 /nfs/dbraw/zinc/60/85/90/378608590.db2.gz NVNZZVJFEITKOF-CYBMUJFWSA-N 0 3 251.395 3.305 20 30 CGEDHN CC[C@@H](CO)N(CCC(C)(C)C#N)Cc1ccccc1 ZINC000346955778 378698578 /nfs/dbraw/zinc/69/85/78/378698578.db2.gz YPRMMSMMOJUECU-INIZCTEOSA-N 0 3 274.408 3.199 20 30 CGEDHN C=C(CC)CN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347359167 378717500 /nfs/dbraw/zinc/71/75/00/378717500.db2.gz WFIKYGLTERSGPZ-LSDHHAIUSA-N 0 3 277.433 3.453 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000348036341 378761496 /nfs/dbraw/zinc/76/14/96/378761496.db2.gz AAZJEPHBTIODHW-CYBMUJFWSA-N 0 3 279.428 3.190 20 30 CGEDHN C=CCOCCCN1CCC[C@H]1c1ccc(COC)o1 ZINC000348048582 378766658 /nfs/dbraw/zinc/76/66/58/378766658.db2.gz NAVYFQNFLDPTDW-HNNXBMFYSA-N 0 3 279.380 3.156 20 30 CGEDHN C=CCOCCCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000348028222 378758366 /nfs/dbraw/zinc/75/83/66/378758366.db2.gz CPAWYULCEYEIKS-HNNXBMFYSA-N 0 3 294.464 3.019 20 30 CGEDHN CC[C@@H]1CCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000348158109 378817383 /nfs/dbraw/zinc/81/73/83/378817383.db2.gz KXSYUEVNGMHVPN-HIFRSBDPSA-N 0 3 296.374 3.277 20 30 CGEDHN C=C(C)CCN1CCc2cc(OC)c(OC)cc2C1 ZINC000274770705 378892400 /nfs/dbraw/zinc/89/24/00/378892400.db2.gz MPCMNIJZYKMJKK-UHFFFAOYSA-N 0 3 261.365 3.028 20 30 CGEDHN C=C(C)CCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274876116 378911466 /nfs/dbraw/zinc/91/14/66/378911466.db2.gz LYTMBZMYLFCTGA-INIZCTEOSA-N 0 3 273.355 3.204 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCC[C@H]1SCC ZINC000348472302 378963478 /nfs/dbraw/zinc/96/34/78/378963478.db2.gz XHKNOFQVKMCWIR-SOUVJXGZSA-N 0 3 298.496 3.063 20 30 CGEDHN C[C@H](CCC#N)CN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000639264746 379210491 /nfs/dbraw/zinc/21/04/91/379210491.db2.gz FUQNIOYDJMEDDW-KDOFPFPSSA-N 0 3 298.386 3.036 20 30 CGEDHN CC(C)[C@@H](C)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266555349 190266353 /nfs/dbraw/zinc/26/63/53/190266353.db2.gz VPGDLMKCQRSYSW-GFCCVEGCSA-N 0 3 284.363 3.085 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OC(F)F)C1 ZINC000349821277 379401970 /nfs/dbraw/zinc/40/19/70/379401970.db2.gz JTLGPKKNLBZBGZ-PWSUYJOCSA-N 0 3 266.291 3.070 20 30 CGEDHN Cc1nn(-c2ccc(F)cc2)cc1CN[C@H]1CC[C@H](C#N)C1 ZINC000349851165 379420977 /nfs/dbraw/zinc/42/09/77/379420977.db2.gz NFBUHIFXAXCIOW-BBRMVZONSA-N 0 3 298.365 3.102 20 30 CGEDHN C=C(C)CN(CCCc1nc(C)no1)Cc1ccccc1 ZINC000279403978 379426218 /nfs/dbraw/zinc/42/62/18/379426218.db2.gz VGZLUMWEURIJIL-UHFFFAOYSA-N 0 3 285.391 3.389 20 30 CGEDHN C=CCC[C@H](C)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279398672 379426899 /nfs/dbraw/zinc/42/68/99/379426899.db2.gz CSKOWVSUHILPIF-QWHCGFSZSA-N 0 3 285.395 3.180 20 30 CGEDHN C=CCOCCNCc1cccc(-c2cccnc2)c1 ZINC000374804821 379478282 /nfs/dbraw/zinc/47/82/82/379478282.db2.gz DVLMYXBOPXWQCD-UHFFFAOYSA-N 0 3 268.360 3.041 20 30 CGEDHN C=CCN[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374853001 379480297 /nfs/dbraw/zinc/48/02/97/379480297.db2.gz DMAFFEAZZMVWBH-DZGCQCFKSA-N 0 3 284.325 3.015 20 30 CGEDHN CO[C@H](c1ccccc1)[C@@H](C)NCc1cccc(C#N)c1 ZINC000279652892 379481374 /nfs/dbraw/zinc/48/13/74/379481374.db2.gz CCNZQWGNEHWYKM-KDOFPFPSSA-N 0 3 280.371 3.424 20 30 CGEDHN CO[C@H](c1ccccc1)[C@H](C)NCc1cccc(C#N)c1 ZINC000279652895 379481896 /nfs/dbraw/zinc/48/18/96/379481896.db2.gz CCNZQWGNEHWYKM-KSSFIOAISA-N 0 3 280.371 3.424 20 30 CGEDHN CC(C)c1nc(C2CCN(CCCCC#N)CC2)no1 ZINC000375771857 379509563 /nfs/dbraw/zinc/50/95/63/379509563.db2.gz LAIQCRUITITSRI-UHFFFAOYSA-N 0 3 276.384 3.066 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639790715 379586096 /nfs/dbraw/zinc/58/60/96/379586096.db2.gz DWVFAINOXODAEQ-GOEBONIOSA-N 0 3 279.387 3.221 20 30 CGEDHN C#CCN(CC)Cc1ccc(OCc2cccnc2)cc1 ZINC000266912628 190289892 /nfs/dbraw/zinc/28/98/92/190289892.db2.gz JLJOQJJXHOAYQK-UHFFFAOYSA-N 0 3 280.371 3.116 20 30 CGEDHN CCC#C[C@H](C)N1CCC(c2ccc(F)cn2)CC1 ZINC000639874737 379619097 /nfs/dbraw/zinc/61/90/97/379619097.db2.gz ZKZVPHKXWNNUKA-ZDUSSCGKSA-N 0 3 260.356 3.202 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](C)c2cccc3ccccc32)C1=O ZINC000280992395 379812975 /nfs/dbraw/zinc/81/29/75/379812975.db2.gz JEMWEPQKEZYWQJ-RDTXWAMCSA-N 0 3 294.398 3.277 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CS[C@@H](C)C1 ZINC000397731152 379925523 /nfs/dbraw/zinc/92/55/23/379925523.db2.gz AFDOIBBBOAGPDD-JSGCOSHPSA-N 0 3 263.406 3.235 20 30 CGEDHN C[C@@H]1CCC[C@@H](CCNCc2nc(C#N)cs2)C1 ZINC000352812595 379977379 /nfs/dbraw/zinc/97/73/79/379977379.db2.gz ZVDNFCWCKQCSBS-NEPJUHHUSA-N 0 3 263.410 3.321 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000399682065 379942390 /nfs/dbraw/zinc/94/23/90/379942390.db2.gz RJHFKZONOYXHKO-RWMBFGLXSA-N 0 3 258.365 3.043 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)COC(C)C)cc1 ZINC000352913393 380033467 /nfs/dbraw/zinc/03/34/67/380033467.db2.gz ICWYOMHCXHRXTG-AWEZNQCLSA-N 0 3 263.381 3.155 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(OCC2CCCC2)CC1 ZINC000411335297 380140867 /nfs/dbraw/zinc/14/08/67/380140867.db2.gz QAKQUOKWEPZANZ-AWEZNQCLSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CCN(CCc1cncs1)Cc1cccs1 ZINC000411130916 380130119 /nfs/dbraw/zinc/13/01/19/380130119.db2.gz DGFDRFAFSKNDCE-UHFFFAOYSA-N 0 3 264.419 3.435 20 30 CGEDHN N#Cc1ccc(OC2CCN(CCCCF)CC2)cc1 ZINC000286181820 380171032 /nfs/dbraw/zinc/17/10/32/380171032.db2.gz ZIORAJCDGZDZOX-UHFFFAOYSA-N 0 3 276.355 3.151 20 30 CGEDHN COc1cc(CNCc2cccc(C)c2C)ccc1C#N ZINC000353242440 380185779 /nfs/dbraw/zinc/18/57/79/380185779.db2.gz NZTSNDAAXRCKCS-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000353260750 380194064 /nfs/dbraw/zinc/19/40/64/380194064.db2.gz GCBWRVHTKHFAJW-HZPDHXFCSA-N 0 3 272.392 3.196 20 30 CGEDHN COC(=O)c1csc([C@@H](C)NCC(C)(C)CC#N)c1 ZINC000414160101 380195193 /nfs/dbraw/zinc/19/51/93/380195193.db2.gz CMCRNKQGFNUNKR-SNVBAGLBSA-N 0 3 280.393 3.125 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc([S@@](C)=O)cc1 ZINC000414164820 380196379 /nfs/dbraw/zinc/19/63/79/380196379.db2.gz KSPRULAFXGBRIA-CWTRNNRKSA-N 0 3 278.421 3.014 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nccn1C ZINC000414310629 380212763 /nfs/dbraw/zinc/21/27/63/380212763.db2.gz WPXQEYGGHZOHGF-HOCLYGCPSA-N 0 3 269.392 3.258 20 30 CGEDHN C=C(CNCc1cccc2nccn21)c1ccccc1 ZINC000354291040 380388495 /nfs/dbraw/zinc/38/84/95/380388495.db2.gz ZQQOBWSAATUWEK-UHFFFAOYSA-N 0 3 263.344 3.137 20 30 CGEDHN C=CCCCN(C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416164936 380525076 /nfs/dbraw/zinc/52/50/76/380525076.db2.gz CCGQCTWXUNXWSW-MRXNPFEDSA-N 0 3 274.408 3.104 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416227585 380526419 /nfs/dbraw/zinc/52/64/19/380526419.db2.gz QAANSYVMOQQNRI-HZPDHXFCSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H]2COCC[C@H]21 ZINC000355141862 380597454 /nfs/dbraw/zinc/59/74/54/380597454.db2.gz YOWIMCLFHFXFNJ-DLBZAZTESA-N 0 3 287.403 3.252 20 30 CGEDHN C=C(C)CN1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420927103 380863289 /nfs/dbraw/zinc/86/32/89/380863289.db2.gz NXJTYWMJHKSPEW-CHWSQXEVSA-N 0 3 253.386 3.005 20 30 CGEDHN Cc1ncccc1OC[C@H]1CCCN1CCC(C)(C)C#N ZINC000419394171 380827642 /nfs/dbraw/zinc/82/76/42/380827642.db2.gz RRLJIJJABYVXBB-OAHLLOKOSA-N 0 3 287.407 3.173 20 30 CGEDHN C[C@H](C1CCC1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000357047410 381011097 /nfs/dbraw/zinc/01/10/97/381011097.db2.gz VUMQNSHPQOPERR-GFCCVEGCSA-N 0 3 296.374 3.229 20 30 CGEDHN C[C@H](C1CCC1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000357023251 380994485 /nfs/dbraw/zinc/99/44/85/380994485.db2.gz LJXZTBAGPVNFIY-GFCCVEGCSA-N 0 3 296.374 3.229 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](CCC)c1ccccc1 ZINC000357296900 381097920 /nfs/dbraw/zinc/09/79/20/381097920.db2.gz YCHLBXVVNQZRQT-QGZVFWFLSA-N 0 3 286.419 3.318 20 30 CGEDHN C=CCCOCCN[C@@H](CC)c1cccc(OC)c1 ZINC000358346717 381304981 /nfs/dbraw/zinc/30/49/81/381304981.db2.gz AQRQHWCKYYCTHU-INIZCTEOSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCSCCNCc1cnc(-c2ccncc2)s1 ZINC000358798673 381327378 /nfs/dbraw/zinc/32/73/78/381327378.db2.gz NHMKHEXVZWQERB-UHFFFAOYSA-N 0 3 291.445 3.214 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000360214400 381483547 /nfs/dbraw/zinc/48/35/47/381483547.db2.gz WETLOLQVFGQBJU-SJCJKPOMSA-N 0 3 251.395 3.041 20 30 CGEDHN CC#CCCNCc1c(C)nn(Cc2ccccc2)c1C ZINC000360968299 381635212 /nfs/dbraw/zinc/63/52/12/381635212.db2.gz IPTUOVLPQPAXAB-UHFFFAOYSA-N 0 3 281.403 3.051 20 30 CGEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361252579 381664727 /nfs/dbraw/zinc/66/47/27/381664727.db2.gz PGLVZZDTOBVLLZ-ZIAGYGMSSA-N 0 3 299.340 3.450 20 30 CGEDHN N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1ccccn1 ZINC000361282259 381675966 /nfs/dbraw/zinc/67/59/66/381675966.db2.gz TVEPPDSYGQDJDQ-CYBMUJFWSA-N 0 3 298.729 3.160 20 30 CGEDHN N#CC(C(=O)c1cc(Cl)cc2c1OCC2)c1ccccn1 ZINC000361282259 381675972 /nfs/dbraw/zinc/67/59/72/381675972.db2.gz TVEPPDSYGQDJDQ-CYBMUJFWSA-N 0 3 298.729 3.160 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)cc1Cl ZINC000361792836 381869304 /nfs/dbraw/zinc/86/93/04/381869304.db2.gz RPEWIPSHPTYJQU-LBPRGKRZSA-N 0 3 285.734 3.237 20 30 CGEDHN C[C@@H]1CCOCCN1Cc1ccccc1C(C)(C)C#N ZINC000362234143 381912819 /nfs/dbraw/zinc/91/28/19/381912819.db2.gz GXMZUXQUMXBGRA-CQSZACIVSA-N 0 3 272.392 3.099 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000335367204 208288238 /nfs/dbraw/zinc/28/82/38/208288238.db2.gz DIPXWOMPSNRNJQ-PBHICJAKSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000335367206 208288389 /nfs/dbraw/zinc/28/83/89/208288389.db2.gz DIPXWOMPSNRNJQ-WMLDXEAASA-N 0 3 288.366 3.088 20 30 CGEDHN CCCN(Cc1ccc(C#N)o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000353748548 220300698 /nfs/dbraw/zinc/30/06/98/220300698.db2.gz QQZKMCXMMGQVST-BZUAXINKSA-N 0 3 288.391 3.177 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H](c3ccncc3)C2)ccc1F ZINC000289338614 197302384 /nfs/dbraw/zinc/30/23/84/197302384.db2.gz LPNJQIUKIJQYFF-MRXNPFEDSA-N 0 3 295.361 3.472 20 30 CGEDHN CC[C@H](NCc1cnn2ccccc12)c1ccc(C#N)cc1 ZINC000353862304 220372167 /nfs/dbraw/zinc/37/21/67/220372167.db2.gz CDVQNOVNEODZFB-KRWDZBQOSA-N 0 3 290.370 3.447 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000336118568 533115388 /nfs/dbraw/zinc/11/53/88/533115388.db2.gz TVJKVPMLMUIVFK-YUMQZZPRSA-N 0 3 271.147 3.330 20 30 CGEDHN CCC[C@@]1(CO)CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000288784366 197165998 /nfs/dbraw/zinc/16/59/98/197165998.db2.gz KQTDAXATUUROJO-WMLDXEAASA-N 0 3 272.392 3.104 20 30 CGEDHN CCC[C@@]1(CO)CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000288784363 197166069 /nfs/dbraw/zinc/16/60/69/197166069.db2.gz KQTDAXATUUROJO-RHSMWYFYSA-N 0 3 272.392 3.104 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H]1CCSc2c(F)cccc21 ZINC000321051749 542439740 /nfs/dbraw/zinc/43/97/40/542439740.db2.gz VXHLDPTXVCTUSG-BXUZGUMPSA-N 0 3 281.396 3.279 20 30 CGEDHN C=CCCN1CCC2(CC1)OCCc1ccsc12 ZINC000334197551 542454849 /nfs/dbraw/zinc/45/48/49/542454849.db2.gz JBGWTQRFZVGTMK-UHFFFAOYSA-N 0 3 263.406 3.188 20 30 CGEDHN C=CCN(Cc1ccccc1F)[C@@H]1CCCC[C@H]1O ZINC000339868332 542489964 /nfs/dbraw/zinc/48/99/64/542489964.db2.gz WSCLXRSSCPRHOQ-HZPDHXFCSA-N 0 3 263.356 3.117 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000411895060 533317777 /nfs/dbraw/zinc/31/77/77/533317777.db2.gz UNVXFLIPCYUCSC-MSOLQXFVSA-N 0 3 296.345 3.099 20 30 CGEDHN C[C@@H](NCCCc1ccccn1)c1ccc(C#N)cc1F ZINC000358555572 533391333 /nfs/dbraw/zinc/39/13/33/533391333.db2.gz ALIJNSYWQXIJEJ-CYBMUJFWSA-N 0 3 283.350 3.376 20 30 CGEDHN C[C@@H](NCCN1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358579638 533393801 /nfs/dbraw/zinc/39/38/01/533393801.db2.gz XASUFGUIIFSAHO-CQSZACIVSA-N 0 3 289.398 3.080 20 30 CGEDHN C[C@@H](NC[C@H](CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000358574063 533429220 /nfs/dbraw/zinc/42/92/20/533429220.db2.gz RLXJGPYLLPZEPC-CZUORRHYSA-N 0 3 298.361 3.124 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC(C)(C)C[C@@H]1C ZINC000412047586 533495222 /nfs/dbraw/zinc/49/52/22/533495222.db2.gz SQHKZMCDMMYKMB-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ncc[nH]1 ZINC000414302057 542636212 /nfs/dbraw/zinc/63/62/12/542636212.db2.gz MLCQPCXZIHJRRL-DZGCQCFKSA-N 0 3 255.365 3.248 20 30 CGEDHN CN(CCOc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000048554168 392003454 /nfs/dbraw/zinc/00/34/54/392003454.db2.gz XBNSDHPNJQLILR-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN CC(C)(C)CC(C)(C)NCC(=O)Nc1cccc(C#N)c1 ZINC000053123262 392081802 /nfs/dbraw/zinc/08/18/02/392081802.db2.gz DIBPYPVNIHYZJW-UHFFFAOYSA-N 0 3 287.407 3.301 20 30 CGEDHN CCO[C@@H](CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000194467380 130696753 /nfs/dbraw/zinc/69/67/53/130696753.db2.gz QHYWDYWWDUZXFX-SFHVURJKSA-N 0 3 280.371 3.426 20 30 CGEDHN Cc1nsc(NC[C@@H](c2ccccc2)N(C)C)c1C#N ZINC000285817352 392333510 /nfs/dbraw/zinc/33/35/10/392333510.db2.gz ZCMVANKKYROGQH-AWEZNQCLSA-N 0 3 286.404 3.038 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000237442475 131031118 /nfs/dbraw/zinc/03/11/18/131031118.db2.gz DNCAXPPBGPKUOD-CYBMUJFWSA-N 0 3 294.354 3.180 20 30 CGEDHN C#CCCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285467168 392325482 /nfs/dbraw/zinc/32/54/82/392325482.db2.gz HFPRQUWDEKDELH-ZDUSSCGKSA-N 0 3 272.175 3.030 20 30 CGEDHN C=C(C)COc1cc(CN(C)C[C@@H](C)OC)ccc1OC ZINC000289612029 392426491 /nfs/dbraw/zinc/42/64/91/392426491.db2.gz LGNVJOUNTYCSSQ-CQSZACIVSA-N 0 3 293.407 3.117 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1 ZINC000289593542 392426960 /nfs/dbraw/zinc/42/69/60/392426960.db2.gz IRVVXVBYJZDYRY-UHFFFAOYSA-N 0 3 279.383 3.185 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCCCC)cc1 ZINC000289771902 392430987 /nfs/dbraw/zinc/43/09/87/392430987.db2.gz MFHPWVCRSDSKMN-DZGCQCFKSA-N 0 3 263.381 3.063 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCCCC)cc1 ZINC000289771911 392431530 /nfs/dbraw/zinc/43/15/30/392431530.db2.gz MFHPWVCRSDSKMN-UKRRQHHQSA-N 0 3 263.381 3.063 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000289922578 392436708 /nfs/dbraw/zinc/43/67/08/392436708.db2.gz UZHBKXOSZQKOCK-SMDDNHRTSA-N 0 3 288.416 3.316 20 30 CGEDHN C=C[C@H](CO)N[C@H]1C[C@@H](C)c2c1cccc2Br ZINC000289918183 392436918 /nfs/dbraw/zinc/43/69/18/392436918.db2.gz UTZWKTNFJIRLKB-BREBYQMCSA-N 0 3 296.208 3.134 20 30 CGEDHN CCCCCCCCNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000366178764 392451210 /nfs/dbraw/zinc/45/12/10/392451210.db2.gz OLXNHHKLOVGNIT-KRWDZBQOSA-N 0 3 295.471 3.084 20 30 CGEDHN C=CCCCN(C)CC(=O)N(CC)C1CCCCC1 ZINC000121114763 392408796 /nfs/dbraw/zinc/40/87/96/392408796.db2.gz MUFIZPHAVLHGSH-UHFFFAOYSA-N 0 3 266.429 3.066 20 30 CGEDHN N#Cc1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000313300709 392665584 /nfs/dbraw/zinc/66/55/84/392665584.db2.gz KHTPUDISUVVAES-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN Cn1cc(CN[C@]2(C)CCCc3ccccc32)cc1C#N ZINC000334571887 392739283 /nfs/dbraw/zinc/73/92/83/392739283.db2.gz SRXJXCRAKRLRNQ-GOSISDBHSA-N 0 3 279.387 3.238 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)n1C ZINC000647375898 392712595 /nfs/dbraw/zinc/71/25/95/392712595.db2.gz IVGLCRJQFYLMEG-LLVKDONJSA-N 0 3 285.372 3.158 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCCN(c3ccccc3F)CC2)C1 ZINC000334325072 392720997 /nfs/dbraw/zinc/72/09/97/392720997.db2.gz FWMGOEFVMONSEN-GJZGRUSLSA-N 0 3 287.382 3.030 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@H]2CO)cc1Cl ZINC000191185226 392824086 /nfs/dbraw/zinc/82/40/86/392824086.db2.gz CRFOQHCLIXQGPB-SWLSCSKDSA-N 0 3 295.810 3.108 20 30 CGEDHN Cc1n[nH]cc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000336445721 392856377 /nfs/dbraw/zinc/85/63/77/392856377.db2.gz XWEASKIGDOJBJQ-KRWDZBQOSA-N 0 3 280.375 3.147 20 30 CGEDHN C=CC[C@@H](CO)CNCc1csc(Cl)c1Cl ZINC000336696902 392867525 /nfs/dbraw/zinc/86/75/25/392867525.db2.gz MCMXQEQNXJDKEU-MRVPVSSYSA-N 0 3 280.220 3.329 20 30 CGEDHN COc1c(C)cc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1C ZINC000338956308 392937727 /nfs/dbraw/zinc/93/77/27/392937727.db2.gz WVOXANDLWJRZQS-HOCLYGCPSA-N 0 3 272.392 3.436 20 30 CGEDHN C=CCN(CCOCC1CC1)CCc1ccccc1 ZINC000525632738 392940948 /nfs/dbraw/zinc/94/09/48/392940948.db2.gz FMQNSWYSXGOOKV-UHFFFAOYSA-N 0 3 259.393 3.144 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(OCC3CCCC3)CC2)C1 ZINC000339013476 392941609 /nfs/dbraw/zinc/94/16/09/392941609.db2.gz HCRQGPJINJHGAJ-JKSUJKDBSA-N 0 3 276.424 3.350 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc2ncsc2c1 ZINC000339089853 392947230 /nfs/dbraw/zinc/94/72/30/392947230.db2.gz FNUWFFQSARLBAS-NSHDSACASA-N 0 3 262.378 3.150 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1F ZINC000339064358 392946149 /nfs/dbraw/zinc/94/61/49/392946149.db2.gz XDTJHWPDIOLVPE-LOWVWBTDSA-N 0 3 262.328 3.177 20 30 CGEDHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000527996250 392962824 /nfs/dbraw/zinc/96/28/24/392962824.db2.gz DBWZYRUDLKZDML-MAZHCROVSA-N 0 3 258.365 3.165 20 30 CGEDHN COc1ccc(CNCc2cc(C#N)cs2)c(C)c1 ZINC000531956963 542747060 /nfs/dbraw/zinc/74/70/60/542747060.db2.gz FTTKKCCOBOIQAW-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN COCC(C)(C)N(C)CCC1(C#N)CCCCC1 ZINC000411755133 392986504 /nfs/dbraw/zinc/98/65/04/392986504.db2.gz GOKFXALSILLASS-UHFFFAOYSA-N 0 3 252.402 3.207 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H](Oc2ccccc2)C1 ZINC000411983882 392992857 /nfs/dbraw/zinc/99/28/57/392992857.db2.gz LUEHFISHBGSJFU-INIZCTEOSA-N 0 3 272.392 3.470 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000342820109 393008984 /nfs/dbraw/zinc/00/89/84/393008984.db2.gz FYCAMBXVSKSCGB-SJLPKXTDSA-N 0 3 287.403 3.395 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1c(F)cccc1Cl ZINC000346253630 393081758 /nfs/dbraw/zinc/08/17/58/393081758.db2.gz UMHWXKVNUKVJHJ-SECBINFHSA-N 0 3 282.746 3.033 20 30 CGEDHN CC(C#N)C(=O)N[C@](C)(Cc1ccccc1)c1ccccc1 ZINC000414054388 393037379 /nfs/dbraw/zinc/03/73/79/393037379.db2.gz MZQXKOYOBTVQIN-DNVCBOLYSA-N 0 3 292.382 3.420 20 30 CGEDHN CC1CCC(N2CCN(CCC(C)(C)C#N)CC2)CC1 ZINC000345734912 393067176 /nfs/dbraw/zinc/06/71/76/393067176.db2.gz YUADIBFVNOMGOR-UHFFFAOYSA-N 0 3 277.456 3.123 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000346117171 393076099 /nfs/dbraw/zinc/07/60/99/393076099.db2.gz XMQCGWABSXIHPT-GHMZBOCLSA-N 0 3 298.308 3.254 20 30 CGEDHN C[C@@H](NCCN1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906983 393255304 /nfs/dbraw/zinc/25/53/04/393255304.db2.gz CLSVGNJBJFAFOH-UONOGXRCSA-N 0 3 289.398 3.080 20 30 CGEDHN CC(C)CC[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000280404490 393341965 /nfs/dbraw/zinc/34/19/65/393341965.db2.gz XYLNLJVGSKWTEP-XJKSGUPXSA-N 0 3 260.381 3.006 20 30 CGEDHN Cc1cc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1C#N ZINC000488171921 393465940 /nfs/dbraw/zinc/46/59/40/393465940.db2.gz PTEFVAHVMRBKGI-IAGOWNOFSA-N 0 3 286.419 3.096 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](CCO)CC2)c(Cl)c1 ZINC000421005221 393572217 /nfs/dbraw/zinc/57/22/17/393572217.db2.gz AAHBYINQDVUUMS-ZDUSSCGKSA-N 0 3 292.810 3.196 20 30 CGEDHN Cc1cc(C)c(C#N)c(NCCN2CCCC(C)(C)C2)n1 ZINC000443965082 393778243 /nfs/dbraw/zinc/77/82/43/393778243.db2.gz WVBRHDVLHGXTLC-UHFFFAOYSA-N 0 3 286.423 3.104 20 30 CGEDHN COc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1C#N ZINC000449545661 393895222 /nfs/dbraw/zinc/89/52/22/393895222.db2.gz ZEYQWWLXCISBGL-WMZOPIPTSA-N 0 3 282.387 3.187 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@H]2C2CCC2)cc1 ZINC000446841286 393863080 /nfs/dbraw/zinc/86/30/80/393863080.db2.gz NUVRCGWZZSDXFM-KRWDZBQOSA-N 0 3 257.352 3.442 20 30 CGEDHN CC[C@]1(C(C)C)C[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000453617928 394259527 /nfs/dbraw/zinc/25/95/27/394259527.db2.gz UEVNLJLRLWVBNR-NVXWUHKLSA-N 0 3 282.391 3.120 20 30 CGEDHN C=CCN(Cc1cnc2n1CCC2)CC1CCCCC1 ZINC000667629539 542900198 /nfs/dbraw/zinc/90/01/98/542900198.db2.gz HJYDFAPYHSPNTD-UHFFFAOYSA-N 0 3 273.424 3.398 20 30 CGEDHN C=CCOc1cccc(CN(C)CC2=CCCOC2)c1 ZINC000668567654 543027658 /nfs/dbraw/zinc/02/76/58/543027658.db2.gz LCRMMBSSDBOYKO-UHFFFAOYSA-N 0 3 273.376 3.030 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CNc2ccccc2C1 ZINC000650716903 397900769 /nfs/dbraw/zinc/90/07/69/397900769.db2.gz MRAUZRLWMCZWHG-KRWDZBQOSA-N 0 3 294.398 3.378 20 30 CGEDHN C=CCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000735492565 572726297 /nfs/dbraw/zinc/72/62/97/572726297.db2.gz JLVCBACMJSUGNU-ZIAGYGMSSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCC[C@H](NCc1cn2cc(C)ccc2n1)C1CC1 ZINC000676639791 543408921 /nfs/dbraw/zinc/40/89/21/543408921.db2.gz WXIULFNVKYADND-INIZCTEOSA-N 0 3 269.392 3.477 20 30 CGEDHN CCN(CC#Cc1ccccc1Cl)C[C@H]1CCOC1 ZINC000676714526 543412147 /nfs/dbraw/zinc/41/21/47/543412147.db2.gz LZCKZUHEFFEUKI-CQSZACIVSA-N 0 3 277.795 3.050 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000677480345 543451364 /nfs/dbraw/zinc/45/13/64/543451364.db2.gz XLFXUZZODPRLFU-CVEARBPZSA-N 0 3 263.356 3.194 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(SCCOC)cc1 ZINC000678765053 543554332 /nfs/dbraw/zinc/55/43/32/543554332.db2.gz BKWZDJFDYMXRBH-CZUORRHYSA-N 0 3 295.448 3.013 20 30 CGEDHN COCC#CCNC1(c2cccc(Cl)c2)CCCC1 ZINC000678793819 543559546 /nfs/dbraw/zinc/55/95/46/543559546.db2.gz OPRIRPGSRTZHMZ-UHFFFAOYSA-N 0 3 277.795 3.349 20 30 CGEDHN COCC#CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000678899465 543570478 /nfs/dbraw/zinc/57/04/78/543570478.db2.gz QCVNABIREKYOGT-UHOFOFEASA-N 0 3 277.795 3.277 20 30 CGEDHN COCC#CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000678899467 543570529 /nfs/dbraw/zinc/57/05/29/543570529.db2.gz QCVNABIREKYOGT-VBNZEHGJSA-N 0 3 277.795 3.277 20 30 CGEDHN N#Cc1ccc(OCCNCc2ccc(Cl)cc2)cc1 ZINC000072937859 287000269 /nfs/dbraw/zinc/00/02/69/287000269.db2.gz XHXIWWQGLGKDBN-UHFFFAOYSA-N 0 3 286.762 3.380 20 30 CGEDHN COCCN(CCC(C)C)Cc1ccc(C#N)cc1 ZINC000063753875 165031742 /nfs/dbraw/zinc/03/17/42/165031742.db2.gz BEBXESLZTFPFHN-UHFFFAOYSA-N 0 3 260.381 3.053 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000072745021 165075297 /nfs/dbraw/zinc/07/52/97/165075297.db2.gz BIOMDMRZJYYVDD-DLBZAZTESA-N 0 3 280.375 3.028 20 30 CGEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000093868682 165338500 /nfs/dbraw/zinc/33/85/00/165338500.db2.gz VTBQWUUKUZJMHT-RISCZKNCSA-N 0 3 264.394 3.257 20 30 CGEDHN CN(CCCNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000021982496 171344673 /nfs/dbraw/zinc/34/46/73/171344673.db2.gz CSQMRRXLXIXWPA-UHFFFAOYSA-N 0 3 297.377 3.313 20 30 CGEDHN N#Cc1csc(CN2CCN(C3CCCCC3)CC2)c1 ZINC000126502177 287266184 /nfs/dbraw/zinc/26/61/84/287266184.db2.gz DQKZKHOYHUKJHD-UHFFFAOYSA-N 0 3 289.448 3.070 20 30 CGEDHN CCOCc1ccccc1CNCc1cccc(C#N)c1 ZINC000037500960 173238388 /nfs/dbraw/zinc/23/83/88/173238388.db2.gz JUWDTNHDDIRRAE-UHFFFAOYSA-N 0 3 280.371 3.385 20 30 CGEDHN CC(C)[C@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000339077919 262595051 /nfs/dbraw/zinc/59/50/51/262595051.db2.gz YQDGSZROQAVRAD-HNNXBMFYSA-N 0 3 282.334 3.182 20 30 CGEDHN CC(C)CCOCCN[C@@H](C)c1cccc(C#N)c1 ZINC000045094311 175306601 /nfs/dbraw/zinc/30/66/01/175306601.db2.gz JDJXXEAMURTVMX-AWEZNQCLSA-N 0 3 260.381 3.272 20 30 CGEDHN C=CCN(Cc1ccccc1F)[C@@H]1CCO[C@H](C)C1 ZINC000420904642 416563010 /nfs/dbraw/zinc/56/30/10/416563010.db2.gz PSIMOZCADSBTTC-UKRRQHHQSA-N 0 3 263.356 3.381 20 30 CGEDHN C=CCOCCN[C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000679576193 543648427 /nfs/dbraw/zinc/64/84/27/543648427.db2.gz KKWSUAFYKBQTLV-MRXNPFEDSA-N 0 3 275.392 3.309 20 30 CGEDHN C[C@H](C(=O)N(CCC#N)CC(C)(C)C)N1CCCCCC1 ZINC000344468995 225067319 /nfs/dbraw/zinc/06/73/19/225067319.db2.gz DAUIWCBUCHTEBU-OAHLLOKOSA-N 0 3 293.455 3.039 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cc(F)ccc1F ZINC000684204432 543971907 /nfs/dbraw/zinc/97/19/07/543971907.db2.gz ATAPYRPUZFMZIX-LLVKDONJSA-N 0 3 255.308 3.208 20 30 CGEDHN C=C(C)C[C@@H](C)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000685325479 544063028 /nfs/dbraw/zinc/06/30/28/544063028.db2.gz GBOFHQXJVOGUHM-RLAWYHOSSA-N 0 3 275.396 3.480 20 30 CGEDHN C=CCN1CC[C@@H](N2CCc3ccccc3[C@H]2C(C)C)C1=O ZINC000685002233 544050635 /nfs/dbraw/zinc/05/06/35/544050635.db2.gz CHSSOKWVSVPMDV-QZTJIDSGSA-N 0 3 298.430 3.029 20 30 CGEDHN CCC#C[C@H](C)N1CCC(Oc2ccncc2C)CC1 ZINC000685579271 544086334 /nfs/dbraw/zinc/08/63/34/544086334.db2.gz VIMBAFYRYKKTBM-HNNXBMFYSA-N 0 3 272.392 3.035 20 30 CGEDHN CCC#C[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000685595393 544087967 /nfs/dbraw/zinc/08/79/67/544087967.db2.gz TYLXEZLGARJZDI-XKQJLSEDSA-N 0 3 290.838 3.477 20 30 CGEDHN Cc1cccc2nc(CN[C@@H]3CCC[C@@H](C#N)C3)[nH]c21 ZINC000336628787 227221395 /nfs/dbraw/zinc/22/13/95/227221395.db2.gz MZTNNEKPDOQSOC-CHWSQXEVSA-N 0 3 268.364 3.043 20 30 CGEDHN C=CCCCCCN(C)CCc1nc(C(C)=O)c(C)[nH]1 ZINC000659948900 419044122 /nfs/dbraw/zinc/04/41/22/419044122.db2.gz XWKYKABWZUFHJL-UHFFFAOYSA-N 0 3 277.412 3.141 20 30 CGEDHN C=CCCCCCN(C)CCc1nc(C)c(C(C)=O)[nH]1 ZINC000659948900 419044126 /nfs/dbraw/zinc/04/41/26/419044126.db2.gz XWKYKABWZUFHJL-UHFFFAOYSA-N 0 3 277.412 3.141 20 30 CGEDHN C=CCCn1cc(CN2CCCC[C@@H]2[C@@H](C)CC)nn1 ZINC000653558651 419048260 /nfs/dbraw/zinc/04/82/60/419048260.db2.gz NFTXHGKIGCQYHU-GOEBONIOSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)nn1 ZINC000653559671 419048836 /nfs/dbraw/zinc/04/88/36/419048836.db2.gz NQJXSTDIYDBBAE-IIAWOOMASA-N 0 3 274.412 3.007 20 30 CGEDHN C=CCCn1cc(CN2CCCC23CCCCC3)nn1 ZINC000653592810 419057233 /nfs/dbraw/zinc/05/72/33/419057233.db2.gz TXCJURGLICAIDS-UHFFFAOYSA-N 0 3 274.412 3.153 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@](C)(N)CC)nn1 ZINC000656458112 419173706 /nfs/dbraw/zinc/17/37/06/419173706.db2.gz XYZOUFYBWISIBT-DOTOQJQBSA-N 0 3 284.407 3.222 20 30 CGEDHN C=C(CNCc1ccc2c(n1)CCC2)c1ccccc1 ZINC000656493486 419177859 /nfs/dbraw/zinc/17/78/59/419177859.db2.gz GITKUCKDUSFCSM-UHFFFAOYSA-N 0 3 264.372 3.373 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000151385852 287512963 /nfs/dbraw/zinc/51/29/63/287512963.db2.gz GICQSEBGNGKQOS-LRTDBIEQSA-N 0 3 298.411 3.146 20 30 CGEDHN C[C@@H](CO)[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000661432480 419259853 /nfs/dbraw/zinc/25/98/53/419259853.db2.gz BMYPLVYIXOZXRU-YOEHRIQHSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)[C@@H]2CC2(F)F)cc1 ZINC000666445631 419218251 /nfs/dbraw/zinc/21/82/51/419218251.db2.gz VWPZLBUOPGUJBT-FZMZJTMJSA-N 0 3 267.319 3.385 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cc2cccc(CC)c2o1 ZINC000657426989 419276164 /nfs/dbraw/zinc/27/61/64/419276164.db2.gz OAIKWWGJQLKTKX-CYBMUJFWSA-N 0 3 273.376 3.269 20 30 CGEDHN C=CCC1(NCc2cc3n(n2)CCC3)CCCCC1 ZINC000657482870 419290347 /nfs/dbraw/zinc/29/03/47/419290347.db2.gz DTNMCBIHZVECSG-UHFFFAOYSA-N 0 3 259.397 3.198 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(C(C)C)nn1 ZINC000657529829 419299748 /nfs/dbraw/zinc/29/97/48/419299748.db2.gz IXEZNFJQTRVTNO-ZFWWWQNUSA-N 0 3 262.401 3.084 20 30 CGEDHN C=CCC1(NCc2nnc(-c3ccccc3)n2C)CCCC1 ZINC000661851832 419304274 /nfs/dbraw/zinc/30/42/74/419304274.db2.gz GJWDJXZVPCDJQH-UHFFFAOYSA-N 0 3 296.418 3.461 20 30 CGEDHN C=CCC1(NCc2nc3ccccc3n2CC)CCOCC1 ZINC000657633113 419317090 /nfs/dbraw/zinc/31/70/90/419317090.db2.gz HJTAKFOMEYPUDY-UHFFFAOYSA-N 0 3 299.418 3.271 20 30 CGEDHN C=CCOc1cccc(CNC[C@@]2(C)CC2(F)F)c1 ZINC000657670657 419326140 /nfs/dbraw/zinc/32/61/40/419326140.db2.gz WFCFUOZZJCCZDF-CQSZACIVSA-N 0 3 267.319 3.386 20 30 CGEDHN C=CCC1(NCc2nccn2CC(F)(F)F)CCCC1 ZINC000657702090 419330299 /nfs/dbraw/zinc/33/02/99/419330299.db2.gz GOABTDVNTMIVNG-UHFFFAOYSA-N 0 3 287.329 3.424 20 30 CGEDHN C=CCOCCCNCc1nc2ccccc2n1CCC ZINC000657657783 419320395 /nfs/dbraw/zinc/32/03/95/419320395.db2.gz CJHVWJAKCJUPIP-UHFFFAOYSA-N 0 3 287.407 3.129 20 30 CGEDHN C=CCOCCCNCc1cc(F)cc(Cl)c1 ZINC000657658110 419320445 /nfs/dbraw/zinc/32/04/45/419320445.db2.gz NECBJLQZSOYIPA-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=CCOCCCNCc1cnc(CC(C)C)s1 ZINC000657657879 419320490 /nfs/dbraw/zinc/32/04/90/419320490.db2.gz FPAPLPUMZLEYPS-UHFFFAOYSA-N 0 3 268.426 3.024 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H]1CCC[C@@H](C)O1 ZINC000657662482 419321695 /nfs/dbraw/zinc/32/16/95/419321695.db2.gz CUVNXZCYNZOQKN-GDBMZVCRSA-N 0 3 275.392 3.299 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1ccccc1C ZINC000662078096 419332079 /nfs/dbraw/zinc/33/20/79/419332079.db2.gz AJRCRXUIADNKIV-RYQLBKOJSA-N 0 3 298.430 3.183 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCC1CCCCC1 ZINC000662081731 419333425 /nfs/dbraw/zinc/33/34/25/419333425.db2.gz RNYDPJDLUKUCMP-BHYGNILZSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCOc1ccccc1F ZINC000662082034 419333920 /nfs/dbraw/zinc/33/39/20/419333920.db2.gz WTTPNFZGFRRKKR-OKILXGFUSA-N 0 3 261.340 3.388 20 30 CGEDHN C=C[C@H](CO)NCc1sc2c(cccc2Cl)c1C ZINC000657791339 419354402 /nfs/dbraw/zinc/35/44/02/419354402.db2.gz KYPJEFFTLXNDLH-SNVBAGLBSA-N 0 3 281.808 3.500 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000662631844 419470091 /nfs/dbraw/zinc/47/00/91/419470091.db2.gz ZAZFOZRAGPXPLX-HOTGVXAUSA-N 0 3 278.440 3.099 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C(C)(C)C)[nH]1 ZINC000658035187 419512326 /nfs/dbraw/zinc/51/23/26/419512326.db2.gz LZUUGECBAIWERR-STQMWFEESA-N 0 3 276.428 3.327 20 30 CGEDHN C=CCOCCCN[C@H](C)c1ccc(C)cc1OC ZINC000658209750 419661097 /nfs/dbraw/zinc/66/10/97/419661097.db2.gz JYXHIHLDNGJNIF-CQSZACIVSA-N 0 3 263.381 3.247 20 30 CGEDHN C=CCOCCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000658210145 419660461 /nfs/dbraw/zinc/66/04/61/419660461.db2.gz OVHWFQTWYHNZND-OAHLLOKOSA-N 0 3 279.355 3.222 20 30 CGEDHN C#CC[C@H](N[C@@H]1C[C@@H](OCC)[C@H]1SC)c1ccccc1 ZINC000297812779 260135501 /nfs/dbraw/zinc/13/55/01/260135501.db2.gz YHZNZQWSJVTQLH-HZMVEIRTSA-N 0 3 289.444 3.250 20 30 CGEDHN C=CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)c1ccccc1 ZINC000298712633 260161748 /nfs/dbraw/zinc/16/17/48/260161748.db2.gz WFYRBAHTKIMVCL-HZPDHXFCSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CCN(CC=C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000299188828 260174206 /nfs/dbraw/zinc/17/42/06/260174206.db2.gz DSPQZLLJSFOMFZ-UHFFFAOYSA-N 0 3 298.430 3.099 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCC[C@H]1O ZINC000517833144 260310331 /nfs/dbraw/zinc/31/03/31/260310331.db2.gz ULFJDHHISNXXMD-ZWKOTPCHSA-N 0 3 284.403 3.097 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2cc(OC)ccc21 ZINC000090883603 260429270 /nfs/dbraw/zinc/42/92/70/260429270.db2.gz LRJDZFCSPUDAMT-KRWDZBQOSA-N 0 3 275.392 3.255 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCCC[C@@H]2C)CCCC1 ZINC000449626102 260770407 /nfs/dbraw/zinc/77/04/07/260770407.db2.gz CTOOESOWIDHAGC-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN COCc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185780487 262070551 /nfs/dbraw/zinc/07/05/51/262070551.db2.gz MGVOSLSZQCQSJE-BBRMVZONSA-N 0 3 258.365 3.005 20 30 CGEDHN CC(C)(O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000193304965 262220163 /nfs/dbraw/zinc/22/01/63/262220163.db2.gz DIPDURRPRBBRSZ-GDBMZVCRSA-N 0 3 272.392 3.086 20 30 CGEDHN COCC[C@@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000365256635 262355513 /nfs/dbraw/zinc/35/55/13/262355513.db2.gz OKOFSMXFYHSSON-SFHVURJKSA-N 0 3 271.404 3.177 20 30 CGEDHN CC(C)(C)CN(CCC#N)CCC1CCOCC1 ZINC000336794597 262393439 /nfs/dbraw/zinc/39/34/39/262393439.db2.gz DCSXLGYUGCTKII-UHFFFAOYSA-N 0 3 252.402 3.065 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000337170187 262427663 /nfs/dbraw/zinc/42/76/63/262427663.db2.gz CSUAWXCDKWBCDS-SJORKVTESA-N 0 3 286.419 3.150 20 30 CGEDHN COc1ccc(C)cc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000339063659 262591896 /nfs/dbraw/zinc/59/18/96/262591896.db2.gz DGEWQWHHGROBIN-MJBXVCDLSA-N 0 3 258.365 3.347 20 30 CGEDHN CC(C)NC(=O)Nc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000273299960 263014849 /nfs/dbraw/zinc/01/48/49/263014849.db2.gz UMNFDEWLWSJNQC-CYBMUJFWSA-N 0 3 288.395 3.171 20 30 CGEDHN Cc1cnc(C2CCN(CCCSCC#N)CC2)s1 ZINC000277420732 263041161 /nfs/dbraw/zinc/04/11/61/263041161.db2.gz KCTLSQWOQIPMIC-UHFFFAOYSA-N 0 3 295.477 3.278 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000278769672 263050944 /nfs/dbraw/zinc/05/09/44/263050944.db2.gz YOEIOGVMYIXSJC-ZFWWWQNUSA-N 0 3 294.402 3.435 20 30 CGEDHN COCCN(CCCCC(C)(C)C#N)Cc1cccnc1 ZINC000278921235 263051872 /nfs/dbraw/zinc/05/18/72/263051872.db2.gz WQHLNASFSZQSJW-UHFFFAOYSA-N 0 3 289.423 3.250 20 30 CGEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340192930 263087502 /nfs/dbraw/zinc/08/75/02/263087502.db2.gz UODAVKLPXZEFRT-NEPJUHHUSA-N 0 3 292.345 3.094 20 30 CGEDHN CN1CCN(CC(C)(C)CCC#N)C[C@@H]1Cc1ccccc1 ZINC000285090611 263090115 /nfs/dbraw/zinc/09/01/15/263090115.db2.gz MSAPEFZHTFUVLS-SFHVURJKSA-N 0 3 299.462 3.175 20 30 CGEDHN C=CCC[C@H](NC[C@H]1CCC[C@H](O)C1)c1ccco1 ZINC000353514566 263107760 /nfs/dbraw/zinc/10/77/60/263107760.db2.gz CCFYWZCLLQEIAH-KKUMJFAQSA-N 0 3 263.381 3.428 20 30 CGEDHN CC(C)(C#N)CCN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292883139 263136237 /nfs/dbraw/zinc/13/62/37/263136237.db2.gz YBRRINBVOJUHDD-INIZCTEOSA-N 0 3 286.419 3.420 20 30 CGEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2CCOCCC#N)o1 ZINC000292925898 263136604 /nfs/dbraw/zinc/13/66/04/263136604.db2.gz YNLUZVGMEIXUKL-HIFRSBDPSA-N 0 3 276.380 3.291 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000293579914 263143584 /nfs/dbraw/zinc/14/35/84/263143584.db2.gz SZZDEKZVTCXZPY-OLMNPRSZSA-N 0 3 284.403 3.124 20 30 CGEDHN Cc1cc(C)c2c(c1)CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000294574548 263163856 /nfs/dbraw/zinc/16/38/56/263163856.db2.gz MGXDOTDTFRGQKI-GOEBONIOSA-N 0 3 254.377 3.354 20 30 CGEDHN C[C@H](CCC#N)N1CCC(OCc2ccccc2)CC1 ZINC000298004416 263213776 /nfs/dbraw/zinc/21/37/76/263213776.db2.gz YGAVDEBUVLOMEL-OAHLLOKOSA-N 0 3 272.392 3.360 20 30 CGEDHN CCN(Cc1ccc(OC)cc1OC)[C@@H]1CC[C@@H](C#N)C1 ZINC000298027856 263214310 /nfs/dbraw/zinc/21/43/10/263214310.db2.gz FBUUGIGERABNBP-UKRRQHHQSA-N 0 3 288.391 3.218 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000341407705 263335343 /nfs/dbraw/zinc/33/53/43/263335343.db2.gz GFOWZHYGPGCGPN-LLVKDONJSA-N 0 3 276.767 3.238 20 30 CGEDHN CCc1ccccc1CCN1CCC(C#N)(COC)CC1 ZINC000341986785 263380784 /nfs/dbraw/zinc/38/07/84/263380784.db2.gz FOTXYWYBAWNVGM-UHFFFAOYSA-N 0 3 286.419 3.044 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C(C)C)CC1 ZINC000189818939 264327470 /nfs/dbraw/zinc/32/74/70/264327470.db2.gz RRJSSGMBUZVSOZ-UHFFFAOYSA-N 0 3 295.471 3.008 20 30 CGEDHN C#CCSCCN[C@@H]1CCSc2ccccc21 ZINC000181092574 264437353 /nfs/dbraw/zinc/43/73/53/264437353.db2.gz DKILQJRTHJLVPT-CYBMUJFWSA-N 0 3 263.431 3.180 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(OC)cc1F ZINC000280779148 264461123 /nfs/dbraw/zinc/46/11/23/264461123.db2.gz IBPBFQMDEJLCNM-IGCXYCKISA-N 0 3 293.382 3.466 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)c1cccc(Cl)c1 ZINC000182599920 264506365 /nfs/dbraw/zinc/50/63/65/264506365.db2.gz YHAGSWJKWTYXCN-SMDDNHRTSA-N 0 3 280.799 3.071 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@]3(C2)CCCOC3)c1 ZINC000367074929 265168320 /nfs/dbraw/zinc/16/83/20/265168320.db2.gz QQHCKWMQACUUAF-KRWDZBQOSA-N 0 3 289.806 3.194 20 30 CGEDHN CC[C@@H]1C[C@@H](CN(CCC#N)CC(C)(C)C)CCO1 ZINC000356998925 266228786 /nfs/dbraw/zinc/22/87/86/266228786.db2.gz UOKOVFNFUJFGBZ-LSDHHAIUSA-N 0 3 266.429 3.453 20 30 CGEDHN CC[C@@H]1C[C@H](CN(CCC#N)CC(C)(C)C)CCO1 ZINC000356998924 266229227 /nfs/dbraw/zinc/22/92/27/266229227.db2.gz UOKOVFNFUJFGBZ-HUUCEWRRSA-N 0 3 266.429 3.453 20 30 CGEDHN C[C@H](C1CCC1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000357046872 266238374 /nfs/dbraw/zinc/23/83/74/266238374.db2.gz YHWNGKGEBYPGHP-OAHLLOKOSA-N 0 3 299.418 3.054 20 30 CGEDHN C=CCN(CCCc1nc(-c2cccs2)no1)C1CC1 ZINC000357554648 266323350 /nfs/dbraw/zinc/32/33/50/266323350.db2.gz RKMOBNQLKKOIBQ-UHFFFAOYSA-N 0 3 289.404 3.381 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000359071581 266530982 /nfs/dbraw/zinc/53/09/82/266530982.db2.gz LNUOSSYGCNHOMB-WBVHZDCISA-N 0 3 286.419 3.294 20 30 CGEDHN C=CCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116066913 267121071 /nfs/dbraw/zinc/12/10/71/267121071.db2.gz WSLIQIGFQHEMOP-HNNXBMFYSA-N 0 3 286.419 3.294 20 30 CGEDHN Cc1noc(C2CCN(CCCCC(C)(C)C#N)CC2)n1 ZINC000368439580 267172341 /nfs/dbraw/zinc/17/23/41/267172341.db2.gz WDJLBINSIASBON-UHFFFAOYSA-N 0 3 290.411 3.278 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418136583 267369094 /nfs/dbraw/zinc/36/90/94/267369094.db2.gz CONZLHHCTNZWCG-DOTOQJQBSA-N 0 3 283.419 3.105 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCc2c[nH]nc2C1)c1ccco1 ZINC000375812005 267907652 /nfs/dbraw/zinc/90/76/52/267907652.db2.gz XINGTSPAJRQWKB-UONOGXRCSA-N 0 3 271.364 3.157 20 30 CGEDHN Cc1cc(C)cc(OCCNCc2ccc(C#N)cc2F)c1 ZINC000532989957 270220775 /nfs/dbraw/zinc/22/07/75/270220775.db2.gz AOPOPIZVCXIMFE-UHFFFAOYSA-N 0 3 298.361 3.483 20 30 CGEDHN C[C@@H](N[C@@H]1COc2ccccc2C1)c1cccc(C#N)c1 ZINC000181622318 274260022 /nfs/dbraw/zinc/26/00/22/274260022.db2.gz QJUFOODMKTXFJI-DYVFJYSZSA-N 0 3 278.355 3.213 20 30 CGEDHN C[C@]1(CNCc2ccc(C#N)o2)C[C@@H]1c1ccccc1 ZINC000339451773 274651183 /nfs/dbraw/zinc/65/11/83/274651183.db2.gz WRHHAZMQSNMWLR-IAGOWNOFSA-N 0 3 266.344 3.435 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1COc3ccccc3C1)CC2 ZINC000353280071 274926898 /nfs/dbraw/zinc/92/68/98/274926898.db2.gz ZPXPSVLDKCQPFB-AEFFLSMTSA-N 0 3 290.366 3.139 20 30 CGEDHN C=CCNC1(c2ccc(Br)cc2)CC1 ZINC000170871896 275747679 /nfs/dbraw/zinc/74/76/79/275747679.db2.gz QOFVPKLSFYNENL-UHFFFAOYSA-N 0 3 252.155 3.214 20 30 CGEDHN CC1(C#N)CCN(CCN2CCCc3ccccc32)CC1 ZINC000336360884 276096748 /nfs/dbraw/zinc/09/67/48/276096748.db2.gz NKROBYDXXOLQRY-UHFFFAOYSA-N 0 3 283.419 3.065 20 30 CGEDHN CCN(CC)[C@@H](CNc1nc(C)ccc1C#N)c1ccco1 ZINC000160883476 276113779 /nfs/dbraw/zinc/11/37/79/276113779.db2.gz QLIWHDIRTCMDTA-HNNXBMFYSA-N 0 3 298.390 3.350 20 30 CGEDHN CCN(CC)[C@@H](CNCc1ccc(C#N)cc1)c1ccco1 ZINC000067506090 276336846 /nfs/dbraw/zinc/33/68/46/276336846.db2.gz VLRIHFRZEAZIHK-KRWDZBQOSA-N 0 3 297.402 3.324 20 30 CGEDHN COc1cc(C#N)ccc1CN1[C@@H](C)CCC[C@@H]1C ZINC000120913181 277367459 /nfs/dbraw/zinc/36/74/59/277367459.db2.gz BABZXCAOZMLQOI-STQMWFEESA-N 0 3 258.365 3.330 20 30 CGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H]1CCCCO1 ZINC000353665362 279548419 /nfs/dbraw/zinc/54/84/19/279548419.db2.gz YGVMXUSNSDLOBK-ZLIFDBKOSA-N 0 3 270.376 3.093 20 30 CGEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1c(Cl)cccc1C#N ZINC000343608787 279997071 /nfs/dbraw/zinc/99/70/71/279997071.db2.gz LMPYZFUJHRNYHK-JSGCOSHPSA-N 0 3 289.810 3.275 20 30 CGEDHN C[C@]1(CNCc2cccc(C#N)c2)OCCc2sccc21 ZINC000289784265 280157087 /nfs/dbraw/zinc/15/70/87/280157087.db2.gz KTURBZMAHAMULY-QGZVFWFLSA-N 0 3 298.411 3.197 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2c2ccccc2)nc1 ZINC000550676547 289081768 /nfs/dbraw/zinc/08/17/68/289081768.db2.gz IYLVQJVOJIVEFJ-QZTJIDSGSA-N 0 3 277.371 3.379 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000335365970 289236563 /nfs/dbraw/zinc/23/65/63/289236563.db2.gz CXFDZNXQILOUBI-RISCZKNCSA-N 0 3 256.349 3.075 20 30 CGEDHN C[C@@H](NC[C@H](C#N)CCC#N)[C@H](C)c1ccccc1 ZINC000177476822 327789850 /nfs/dbraw/zinc/78/98/50/327789850.db2.gz PFJBVDZOJGCAPI-ZNMIVQPWSA-N 0 3 255.365 3.212 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000388368463 327875158 /nfs/dbraw/zinc/87/51/58/327875158.db2.gz IKAKGLBPTXYHMY-AWEZNQCLSA-N 0 3 259.393 3.419 20 30 CGEDHN C=C(Cl)CN[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000160999702 328116328 /nfs/dbraw/zinc/11/63/28/328116328.db2.gz KRPFJQNYHYKZNZ-NWDGAFQWSA-N 0 3 288.819 3.164 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCC(=O)Nc1ccc(Cl)cc1 ZINC000161103676 328131813 /nfs/dbraw/zinc/13/18/13/328131813.db2.gz GTOHMWGSXDQBJV-NEPJUHHUSA-N 0 3 280.799 3.469 20 30 CGEDHN C=CCCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000394030514 329095214 /nfs/dbraw/zinc/09/52/14/329095214.db2.gz ICPJPALNQDJINN-LBPRGKRZSA-N 0 3 261.365 3.074 20 30 CGEDHN N#CCCCN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268398177 328184890 /nfs/dbraw/zinc/18/48/90/328184890.db2.gz TWJJHDHTXPEWAM-HUUCEWRRSA-N 0 3 276.380 3.251 20 30 CGEDHN CCc1ccc(CCN2CCC(C)(C#N)CC2)cc1 ZINC000272649162 328200446 /nfs/dbraw/zinc/20/04/46/328200446.db2.gz YVRKUUPFBUJKLN-UHFFFAOYSA-N 0 3 256.393 3.417 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](O)c2c(F)cccc2Cl)C1 ZINC000274207783 328209600 /nfs/dbraw/zinc/20/96/00/328209600.db2.gz MXTMCHJECIBNQY-UHIISALHSA-N 0 3 296.773 3.184 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000274389223 328210951 /nfs/dbraw/zinc/21/09/51/328210951.db2.gz ASIWJCMGOBSHKK-HOSYDEDBSA-N 0 3 250.292 3.308 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc3c(n2)CCCC3)C1 ZINC000278511874 328226021 /nfs/dbraw/zinc/22/60/21/328226021.db2.gz ROCPLLLCMKGVAQ-ZFWWWQNUSA-N 0 3 269.392 3.132 20 30 CGEDHN COc1cc(C)c(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000278595933 328227898 /nfs/dbraw/zinc/22/78/98/328227898.db2.gz LOQVKAGGCRXKAS-UKRRQHHQSA-N 0 3 288.391 3.136 20 30 CGEDHN CN(c1ccccc1)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278690680 328229451 /nfs/dbraw/zinc/22/94/51/328229451.db2.gz SEZXIMJSHOWIQU-CRAIPNDOSA-N 0 3 283.419 3.279 20 30 CGEDHN N#Cc1ccc(CN(CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000566306719 322115179 /nfs/dbraw/zinc/11/51/79/322115179.db2.gz WRAIGZZQGPUYQZ-UHFFFAOYSA-N 0 3 299.374 3.479 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)cc1F ZINC000570174267 322267023 /nfs/dbraw/zinc/26/70/23/322267023.db2.gz VNXLYBFLTRGNTI-INIZCTEOSA-N 0 3 281.334 3.082 20 30 CGEDHN Cc1ccccc1[C@H](CO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000570889575 322284725 /nfs/dbraw/zinc/28/47/25/322284725.db2.gz QTNLMBAIUKRKCR-MOPGFXCFSA-N 0 3 292.382 3.177 20 30 CGEDHN C=CC[C@H](CO)CNCc1cc(C(F)(F)F)ccc1F ZINC000341365257 328406880 /nfs/dbraw/zinc/40/68/80/328406880.db2.gz LGKJLSZEGAEPPG-JTQLQIEISA-N 0 3 291.288 3.119 20 30 CGEDHN C=CCC[C@@H](NC[C@H](CC)CCO)c1ccco1 ZINC000286334310 328521909 /nfs/dbraw/zinc/52/19/09/328521909.db2.gz YAKZCSCSUQHVBF-ZIAGYGMSSA-N 0 3 251.370 3.285 20 30 CGEDHN N#CCC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000335002721 327398378 /nfs/dbraw/zinc/39/83/78/327398378.db2.gz FGIHLVNMRWXJQR-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN C[C@H](CCc1n[nH]c2ccccc21)NCC1(C#N)CCC1 ZINC000570187982 327574922 /nfs/dbraw/zinc/57/49/22/327574922.db2.gz LVBGJQFGEDTIHB-CYBMUJFWSA-N 0 3 282.391 3.167 20 30 CGEDHN CCS[C@@H]1CCC[C@H](NC[C@H](C#N)CCC#N)C1 ZINC000570274062 327579909 /nfs/dbraw/zinc/57/99/09/327579909.db2.gz VTOCGCDXDKTPJW-MELADBBJSA-N 0 3 265.426 3.084 20 30 CGEDHN COCc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000563957028 328840525 /nfs/dbraw/zinc/84/05/25/328840525.db2.gz CVGVKFRSJJOVHH-UHFFFAOYSA-N 0 3 280.371 3.189 20 30 CGEDHN CC(C)[C@]1(CO)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000377733698 329027506 /nfs/dbraw/zinc/02/75/06/329027506.db2.gz YIZBBWIUNHXRJS-QGZVFWFLSA-N 0 3 291.822 3.032 20 30 CGEDHN CC(=O)Nc1cccc2c1CCN(CCCC(C)(C)C#N)C2 ZINC000174831082 329163690 /nfs/dbraw/zinc/16/36/90/329163690.db2.gz IMCMQPXSPWDWJQ-UHFFFAOYSA-N 0 3 299.418 3.333 20 30 CGEDHN C[C@@H]1CSCCN1Cc1cccc(OCCCC#N)c1 ZINC000179662844 329210836 /nfs/dbraw/zinc/21/08/36/329210836.db2.gz WFANZBWQQNAUBP-CQSZACIVSA-N 0 3 290.432 3.306 20 30 CGEDHN C=CCCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000263065028 330041648 /nfs/dbraw/zinc/04/16/48/330041648.db2.gz YVLJQPQSLCJLLM-UHFFFAOYSA-N 0 3 272.270 3.069 20 30 CGEDHN C=C(C)CCNCc1ncc(Br)cc1F ZINC000527711783 330275892 /nfs/dbraw/zinc/27/58/92/330275892.db2.gz HDCCBMIOZCONQW-UHFFFAOYSA-N 0 3 273.149 3.039 20 30 CGEDHN COc1cccc([C@H](CN[C@@H]2CCC[C@H](C#N)C2)OC)c1 ZINC000527923429 330296110 /nfs/dbraw/zinc/29/61/10/330296110.db2.gz DAPWLOAZDHAWCM-LXZKKBNFSA-N 0 3 288.391 3.055 20 30 CGEDHN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424171953 330311853 /nfs/dbraw/zinc/31/18/53/330311853.db2.gz MMVXWEMFEREECO-RBSFLKMASA-N 0 3 293.455 3.119 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424203764 330327056 /nfs/dbraw/zinc/32/70/56/330327056.db2.gz UUQAJKRDBNPKAW-DZGCQCFKSA-N 0 3 286.375 3.042 20 30 CGEDHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424318189 330339685 /nfs/dbraw/zinc/33/96/85/330339685.db2.gz CRAUOONBEZKNFP-LZWOXQAQSA-N 0 3 270.376 3.491 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(-c2ccccc2)nn1C ZINC000424320236 330340030 /nfs/dbraw/zinc/34/00/30/330340030.db2.gz FVYOLGZDLURALC-IJEWVQPXSA-N 0 3 294.402 3.430 20 30 CGEDHN C[C@H]1Cc2ccc(F)cc2[C@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000424331257 330342242 /nfs/dbraw/zinc/34/22/42/330342242.db2.gz RXAZXMULHWUSLO-WYURAEBNSA-N 0 3 258.340 3.341 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424337745 330343667 /nfs/dbraw/zinc/34/36/67/330343667.db2.gz ZXBMZRXBPRLBOD-LZWOXQAQSA-N 0 3 270.376 3.491 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000533300100 330356485 /nfs/dbraw/zinc/35/64/85/330356485.db2.gz CDLGFSVFSZHNOC-HNNXBMFYSA-N 0 3 286.419 3.252 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1sc(CC)nc1C ZINC000090450794 330392467 /nfs/dbraw/zinc/39/24/67/330392467.db2.gz IKAQFLHIFMYFHK-NSHDSACASA-N 0 3 268.426 3.257 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1sc(CC)nc1C ZINC000090450793 330392513 /nfs/dbraw/zinc/39/25/13/330392513.db2.gz IKAQFLHIFMYFHK-LLVKDONJSA-N 0 3 268.426 3.257 20 30 CGEDHN C=CC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000093359198 330419602 /nfs/dbraw/zinc/41/96/02/330419602.db2.gz XPBJFZALMZJTSO-UHFFFAOYSA-N 0 3 267.376 3.475 20 30 CGEDHN Cc1c([C@H](C)NCC2(CC#N)CC2)cnn1C(C)(C)C ZINC000430742041 330572292 /nfs/dbraw/zinc/57/22/92/330572292.db2.gz VOKOPVZSXFOPDY-LBPRGKRZSA-N 0 3 274.412 3.291 20 30 CGEDHN CSc1ccc(F)cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442789275 330783658 /nfs/dbraw/zinc/78/36/58/330783658.db2.gz JUSWQZNSJIKEFT-ZWNOBZJWSA-N 0 3 264.369 3.329 20 30 CGEDHN CSc1ccc(F)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442789271 330783742 /nfs/dbraw/zinc/78/37/42/330783742.db2.gz JUSWQZNSJIKEFT-GXFFZTMASA-N 0 3 264.369 3.329 20 30 CGEDHN Cn1cc(CNCC2(CC#N)CC2)c(-c2ccc(F)cc2)n1 ZINC000449298818 330912780 /nfs/dbraw/zinc/91/27/80/330912780.db2.gz JGWMJBHUIIHMDH-UHFFFAOYSA-N 0 3 298.365 3.010 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000449516868 330932827 /nfs/dbraw/zinc/93/28/27/330932827.db2.gz CWOCCXMYQHWHGD-OLZOCXBDSA-N 0 3 272.175 3.427 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)c(OC)c1 ZINC000449549547 330935938 /nfs/dbraw/zinc/93/59/38/330935938.db2.gz YYTCFPHPZCZINA-DFBGVHRSSA-N 0 3 279.355 3.219 20 30 CGEDHN COc1ccc([C@@H](C)[C@H](C)NCC2(C#N)CCC2)cc1 ZINC000450723840 330995997 /nfs/dbraw/zinc/99/59/97/330995997.db2.gz DTUMYELPMMPEPU-KBPBESRZSA-N 0 3 272.392 3.471 20 30 CGEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CCC1 ZINC000450980682 331009929 /nfs/dbraw/zinc/00/99/29/331009929.db2.gz NQHOQLJBSAQMRS-KZNAEPCWSA-N 0 3 296.414 3.185 20 30 CGEDHN C=C(C)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451555030 331034237 /nfs/dbraw/zinc/03/42/37/331034237.db2.gz ASUUHAXFSNHAMA-CQSZACIVSA-N 0 3 260.337 3.350 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2ccc(C)cc2)no1 ZINC000451669835 331038206 /nfs/dbraw/zinc/03/82/06/331038206.db2.gz AYTFCMDQPAFPNZ-AEFFLSMTSA-N 0 3 298.386 3.473 20 30 CGEDHN CC[C@@H]1CN(CC)CCN1CC#Cc1ccc(Cl)cc1 ZINC000451734351 331040567 /nfs/dbraw/zinc/04/05/67/331040567.db2.gz WPDFNEBTMYPCJG-QGZVFWFLSA-N 0 3 290.838 3.108 20 30 CGEDHN CO[C@@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000451834121 331044185 /nfs/dbraw/zinc/04/41/85/331044185.db2.gz ADSUKGVKPHUINK-IAGOWNOFSA-N 0 3 287.378 3.067 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453137103 331093041 /nfs/dbraw/zinc/09/30/41/331093041.db2.gz CIRGDAVMPKWUAY-HNNXBMFYSA-N 0 3 299.418 3.330 20 30 CGEDHN N#CCCCN[C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453195915 331100137 /nfs/dbraw/zinc/10/01/37/331100137.db2.gz QECXBTVYRHWUTA-HOTGVXAUSA-N 0 3 292.810 3.323 20 30 CGEDHN C=CC(C)(C)CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000453310034 331114578 /nfs/dbraw/zinc/11/45/78/331114578.db2.gz QNISARJNVMAJIW-AWEZNQCLSA-N 0 3 269.335 3.454 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000453335053 331118222 /nfs/dbraw/zinc/11/82/22/331118222.db2.gz FJDOCIBIJBMIHE-OAGGEKHMSA-N 0 3 290.363 3.369 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453344224 331119662 /nfs/dbraw/zinc/11/96/62/331119662.db2.gz FIKCGLJZFUWWKJ-SIIHOXLZSA-N 0 3 297.402 3.081 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2ccccc2o1 ZINC000453350084 331120580 /nfs/dbraw/zinc/12/05/80/331120580.db2.gz IVCDZILEGSLEPL-YUTCNCBUSA-N 0 3 257.333 3.427 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2nc(C)sc21 ZINC000453360021 331122396 /nfs/dbraw/zinc/12/23/96/331122396.db2.gz PSYAGBWWAZARCC-XBFCOCLRSA-N 0 3 278.421 3.152 20 30 CGEDHN C=CCC[C@H](CO)N[C@H]1CCSc2ccc(OC)cc21 ZINC000453363234 331122862 /nfs/dbraw/zinc/12/28/62/331122862.db2.gz QRLJCDZBEJGGFC-DOMZBBRYSA-N 0 3 293.432 3.149 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ncccc1CC ZINC000453374847 331124400 /nfs/dbraw/zinc/12/44/00/331124400.db2.gz WXLWWRZQBBLMQH-YUELXQCFSA-N 0 3 260.381 3.028 20 30 CGEDHN COc1cc(CNCC(C)(C)CC#N)ccc1OC(F)F ZINC000459688881 331294624 /nfs/dbraw/zinc/29/46/24/331294624.db2.gz HTNPSNTWCMUINM-UHFFFAOYSA-N 0 3 298.333 3.326 20 30 CGEDHN Cn1cc(-c2ccc(CNCC(C)(C)CC#N)s2)cn1 ZINC000459733617 331296661 /nfs/dbraw/zinc/29/66/61/331296661.db2.gz QOOSOQRXNKPGPA-UHFFFAOYSA-N 0 3 288.420 3.178 20 30 CGEDHN Cn1cc(CNCC(C)(C)CC#N)c(-c2cccs2)n1 ZINC000459733858 331296774 /nfs/dbraw/zinc/29/67/74/331296774.db2.gz RCIXSUBKBAKBOC-UHFFFAOYSA-N 0 3 288.420 3.178 20 30 CGEDHN CO[C@@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C12CCC2 ZINC000459781172 331300684 /nfs/dbraw/zinc/30/06/84/331300684.db2.gz YKRSJCXKRUNFSB-HZPDHXFCSA-N 0 3 289.806 3.239 20 30 CGEDHN CC(C)c1ccc(C[C@@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000461710582 331314071 /nfs/dbraw/zinc/31/40/71/331314071.db2.gz SIUYSGDEIPSEKW-HOCLYGCPSA-N 0 3 284.403 3.361 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000464849837 331371145 /nfs/dbraw/zinc/37/11/45/331371145.db2.gz JEDXENQNJQVAFG-RDJZCZTQSA-N 0 3 289.806 3.192 20 30 CGEDHN C=CC[C@H](CC)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000466367232 331393668 /nfs/dbraw/zinc/39/36/68/331393668.db2.gz RHQQFUMMXADFBH-HNNXBMFYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=CCCCCCN1CCN(Cc2cscn2)CC1 ZINC000487908760 331983780 /nfs/dbraw/zinc/98/37/80/331983780.db2.gz JQJYTLXRIZOXKB-UHFFFAOYSA-N 0 3 279.453 3.007 20 30 CGEDHN C=CCCCCCN(CCO)Cc1cccc(F)c1 ZINC000489013370 332037780 /nfs/dbraw/zinc/03/77/80/332037780.db2.gz IWQXNMKYSXTKQN-UHFFFAOYSA-N 0 3 265.372 3.366 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(-c2ccncc2)c1 ZINC000491427789 332209737 /nfs/dbraw/zinc/20/97/37/332209737.db2.gz MCJLXVQQYJHQSX-CQSZACIVSA-N 0 3 250.345 3.202 20 30 CGEDHN C=CCCCN(C)Cc1nc2ccccc2nc1C ZINC000172324616 335101393 /nfs/dbraw/zinc/10/13/93/335101393.db2.gz SZUXXWHOEJBUMW-UHFFFAOYSA-N 0 3 255.365 3.336 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000494218356 332466995 /nfs/dbraw/zinc/46/69/95/332466995.db2.gz BRDHVXRGKKHBKO-HNNXBMFYSA-N 0 3 293.455 3.001 20 30 CGEDHN N#CCCCN[C@H]1CCc2sc(Br)cc21 ZINC000294474027 334896310 /nfs/dbraw/zinc/89/63/10/334896310.db2.gz WUVNHLSGSOHXIQ-VIFPVBQESA-N 0 3 285.210 3.391 20 30 CGEDHN COc1cc(Br)ccc1[C@H](C)NCCCC#N ZINC000190420158 333206557 /nfs/dbraw/zinc/20/65/57/333206557.db2.gz DWZOKRNOLOYCTG-JTQLQIEISA-N 0 3 297.196 3.412 20 30 CGEDHN CC(C#N)C(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000522979984 333302863 /nfs/dbraw/zinc/30/28/63/333302863.db2.gz AAIUIRLYGPKDFS-OAHLLOKOSA-N 0 3 292.382 3.116 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000250212519 333303491 /nfs/dbraw/zinc/30/34/91/333303491.db2.gz PGDCEWONMOLSMY-SJLPKXTDSA-N 0 3 298.430 3.065 20 30 CGEDHN C=C(CC)CN[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000538015607 333571138 /nfs/dbraw/zinc/57/11/38/333571138.db2.gz ONBUKQKEOKUYQY-ZFWWWQNUSA-N 0 3 261.365 3.093 20 30 CGEDHN N#CCCCN1CCC(OCCc2ccccc2)CC1 ZINC000125733831 333571370 /nfs/dbraw/zinc/57/13/70/333571370.db2.gz FHVKGYMXXIYLLS-UHFFFAOYSA-N 0 3 272.392 3.014 20 30 CGEDHN C=C(C)COCCNCc1ccc(OCCC)cc1 ZINC000125799092 333573602 /nfs/dbraw/zinc/57/36/02/333573602.db2.gz NKQLLPNOARGZCS-UHFFFAOYSA-N 0 3 263.381 3.158 20 30 CGEDHN CCN(CC)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000127480120 333629640 /nfs/dbraw/zinc/62/96/40/333629640.db2.gz YPBNIIFOFAHHHC-UHFFFAOYSA-N 0 3 271.282 3.279 20 30 CGEDHN Cc1cccc2[nH]cc(CCNCc3ccc(C#N)o3)c21 ZINC000174346161 335153076 /nfs/dbraw/zinc/15/30/76/335153076.db2.gz JLRVAPOHIPWVDF-UHFFFAOYSA-N 0 3 279.343 3.273 20 30 CGEDHN COc1ccccc1/C=C/CN1CCC(CC#N)CC1 ZINC000541922114 333801233 /nfs/dbraw/zinc/80/12/33/333801233.db2.gz NOVDYWWNOZIIBQ-GQCTYLIASA-N 0 3 270.376 3.334 20 30 CGEDHN C=CCOc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000542849214 333845356 /nfs/dbraw/zinc/84/53/56/333845356.db2.gz AUJYPPXVSJINJK-UHFFFAOYSA-N 0 3 270.376 3.377 20 30 CGEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@H]1CCCOC1 ZINC000543507495 333878004 /nfs/dbraw/zinc/87/80/04/333878004.db2.gz AHHAZTKAGYMXLL-HIFRSBDPSA-N 0 3 277.795 3.096 20 30 CGEDHN C=CCOc1ccc(CNC(C)(C)c2cnn(C)c2)cc1 ZINC000547410151 334086381 /nfs/dbraw/zinc/08/63/81/334086381.db2.gz DFZQFTZFWKECES-UHFFFAOYSA-N 0 3 285.391 3.010 20 30 CGEDHN Cc1nc(C)c(CN2CCC(CCC#N)CC2)s1 ZINC000564327135 334106610 /nfs/dbraw/zinc/10/66/10/334106610.db2.gz ORIOVZYHHYTXEW-UHFFFAOYSA-N 0 3 263.410 3.276 20 30 CGEDHN C=CCOCCN(Cc1ccccc1F)CC(C)C ZINC000549796610 334205114 /nfs/dbraw/zinc/20/51/14/334205114.db2.gz FNKRGOHJVAZRNO-UHFFFAOYSA-N 0 3 265.372 3.486 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@H](C#N)C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000550065338 334212240 /nfs/dbraw/zinc/21/22/40/334212240.db2.gz ZTTRJQIXHRBVRL-IMPIEMTGSA-N 0 3 288.435 3.348 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000550065339 334212253 /nfs/dbraw/zinc/21/22/53/334212253.db2.gz ZTTRJQIXHRBVRL-JFBPSJKJSA-N 0 3 288.435 3.348 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@@H]2CO)cc1Cl ZINC000249038556 334325361 /nfs/dbraw/zinc/32/53/61/334325361.db2.gz CRFOQHCLIXQGPB-WFASDCNBSA-N 0 3 295.810 3.108 20 30 CGEDHN C=CC1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000091575506 334380608 /nfs/dbraw/zinc/38/06/08/334380608.db2.gz NTUKUVKVYOEKEL-GFCCVEGCSA-N 0 3 277.364 3.334 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N(CCC)CCN1CCCCC1 ZINC000553495366 334388654 /nfs/dbraw/zinc/38/86/54/334388654.db2.gz YHSVGPJRDRHQAB-KRWDZBQOSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000156418279 334742187 /nfs/dbraw/zinc/74/21/87/334742187.db2.gz PHGADODNHGDTBN-IACUBPJLSA-N 0 3 251.370 3.466 20 30 CGEDHN N#CCCC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000567789745 334761272 /nfs/dbraw/zinc/76/12/72/334761272.db2.gz CJBUSXDCHHXSKX-UHFFFAOYSA-N 0 3 270.376 3.275 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](OC)C(C)C)cc1 ZINC000344717024 335263901 /nfs/dbraw/zinc/26/39/01/335263901.db2.gz RABNTEGYGPGMTO-INIZCTEOSA-N 0 3 263.381 3.012 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000192511486 335270791 /nfs/dbraw/zinc/27/07/91/335270791.db2.gz VSTUHEZWUZQBTJ-SFHVURJKSA-N 0 3 286.419 3.152 20 30 CGEDHN Cn1cc(CN2CCC(CCC#N)CC2)c(C(C)(C)C)n1 ZINC000577108903 335300484 /nfs/dbraw/zinc/30/04/84/335300484.db2.gz KUYGTPOWFFWQHO-UHFFFAOYSA-N 0 3 288.439 3.233 20 30 CGEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCC2)CCCCC1 ZINC000577339061 335340099 /nfs/dbraw/zinc/34/00/99/335340099.db2.gz MHBLPOXKMQSLPG-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C[C@@H](NC(C)(C)CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000577485469 335357439 /nfs/dbraw/zinc/35/74/39/335357439.db2.gz WFLVLBVGSUBHAR-HZPDHXFCSA-N 0 3 298.434 3.149 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1OCCNCc1cc(C#N)cs1 ZINC000177687810 335379100 /nfs/dbraw/zinc/37/91/00/335379100.db2.gz FCSRHKBZQHMFTK-DOMZBBRYSA-N 0 3 278.421 3.305 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)o1)[C@H]1CC2CCC1CC2 ZINC000381594988 336069236 /nfs/dbraw/zinc/06/92/36/336069236.db2.gz FFYYTCSNLRGCIR-NEQJSVFRSA-N 0 3 258.365 3.456 20 30 CGEDHN C=CCCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000581984592 336184550 /nfs/dbraw/zinc/18/45/50/336184550.db2.gz OTBQISCKYJMCJF-IAGOWNOFSA-N 0 3 277.383 3.143 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)C1CCCCC1 ZINC000425542489 534082102 /nfs/dbraw/zinc/08/21/02/534082102.db2.gz YEIRQBKLBQNNRU-KBXCAEBGSA-N 0 3 286.419 3.492 20 30 CGEDHN C=CC[C@H](C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000190184811 534327972 /nfs/dbraw/zinc/32/79/72/534327972.db2.gz SRHODFTZQZGBLH-LESCRADOSA-N 0 3 298.430 3.088 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc(C(F)(F)F)ccc1Cl ZINC000184281449 519104559 /nfs/dbraw/zinc/10/45/59/519104559.db2.gz AHGQLGTVQSBWPM-NSHDSACASA-N 0 3 293.716 3.385 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc(F)cc3cccnc32)C1 ZINC000335286030 534755011 /nfs/dbraw/zinc/75/50/11/534755011.db2.gz MLEOKDQYBAFWTD-XHDPSFHLSA-N 0 3 269.323 3.156 20 30 CGEDHN Cc1cccc([C@H]2CCCN2C(=O)C(C)C#N)c1C ZINC000336577781 534762719 /nfs/dbraw/zinc/76/27/19/534762719.db2.gz ZKMNWEOCYVIBCU-IUODEOHRSA-N 0 3 256.349 3.127 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352176462 526536027 /nfs/dbraw/zinc/53/60/27/526536027.db2.gz PBUQXSJGOYNTII-OAHLLOKOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCOCCCN(C)Cc1ccccc1OCC ZINC000347961102 526748437 /nfs/dbraw/zinc/74/84/37/526748437.db2.gz GNZABXHXWBFGCB-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C=CCOCCCN1Cc2ccccc2C2(CC2)C1 ZINC000348083679 526758242 /nfs/dbraw/zinc/75/82/42/526758242.db2.gz KLWXXACCZLFEHS-UHFFFAOYSA-N 0 3 257.377 3.127 20 30 CGEDHN C=CCOc1ccc(CN2CCSC[C@@H]2C)cc1 ZINC000353497146 526869911 /nfs/dbraw/zinc/86/99/11/526869911.db2.gz CWKLMGHYUOZSTF-ZDUSSCGKSA-N 0 3 263.406 3.189 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CC[C@H]1SC ZINC000344958863 526952636 /nfs/dbraw/zinc/95/26/36/526952636.db2.gz VZMUYBHXVWDNTD-DZGCQCFKSA-N 0 3 263.406 3.235 20 30 CGEDHN C=CCCC1(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000353590823 527090800 /nfs/dbraw/zinc/09/08/00/527090800.db2.gz DNXQDQRGRBDGLH-MRXNPFEDSA-N 0 3 286.419 3.152 20 30 CGEDHN C#CCOc1ccc(CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000113337295 527106054 /nfs/dbraw/zinc/10/60/54/527106054.db2.gz FWFXTOILRPHTSS-GOSISDBHSA-N 0 3 293.366 3.181 20 30 CGEDHN C=CCCN(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000344261761 527317517 /nfs/dbraw/zinc/31/75/17/527317517.db2.gz GUOCRRAUWWXJRC-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN C=CCC[C@H](NCC1(CO)CCCC1)c1ccco1 ZINC000353670536 527483147 /nfs/dbraw/zinc/48/31/47/527483147.db2.gz LUCYASQPKXKCSL-AWEZNQCLSA-N 0 3 263.381 3.429 20 30 CGEDHN C=CCC[C@H](NCCC[C@@H](O)CC)c1ccco1 ZINC000353626615 527483885 /nfs/dbraw/zinc/48/38/85/527483885.db2.gz YHPYHEQXNGJLHI-KBPBESRZSA-N 0 3 251.370 3.428 20 30 CGEDHN C=CCC[C@H](NCCN(CC)CC)c1ccco1 ZINC000356053186 527484212 /nfs/dbraw/zinc/48/42/12/527484212.db2.gz BYFXYLSUKUGHAC-AWEZNQCLSA-N 0 3 250.386 3.218 20 30 CGEDHN C=CCC[C@H](NCCOCC(F)(F)F)c1ccco1 ZINC000353405290 527484564 /nfs/dbraw/zinc/48/45/64/527484564.db2.gz RGRLHMQVSNIGED-NSHDSACASA-N 0 3 277.286 3.455 20 30 CGEDHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000245425192 535511857 /nfs/dbraw/zinc/51/18/57/535511857.db2.gz SUAMKEGKXXDUFQ-ZIAGYGMSSA-N 0 3 287.407 3.253 20 30 CGEDHN CN(CCc1ccc(Cl)cc1)Cc1cc(C#N)n(C)c1 ZINC000191288515 536409723 /nfs/dbraw/zinc/40/97/23/536409723.db2.gz PZNXVJBOCPERTN-UHFFFAOYSA-N 0 3 287.794 3.225 20 30 CGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCC12CCCC2 ZINC000451458252 536645444 /nfs/dbraw/zinc/64/54/44/536645444.db2.gz OLVHEGOJEJHZHB-MRXNPFEDSA-N 0 3 270.376 3.379 20 30 CGEDHN CSCCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000729068215 571864311 /nfs/dbraw/zinc/86/43/11/571864311.db2.gz YNWVODTVKDUSEG-VIFPVBQESA-N 0 3 276.386 3.226 20 30 CGEDHN N#CC(C(=O)C1CC=CC1)c1ccc2ccccc2n1 ZINC000741110589 572480788 /nfs/dbraw/zinc/48/07/88/572480788.db2.gz IVLAOPLFNMCONN-CQSZACIVSA-N 0 3 262.312 3.377 20 30 CGEDHN CC1(C)CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000732984430 572498337 /nfs/dbraw/zinc/49/83/37/572498337.db2.gz UCMOCBBUEBHMSL-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN N#CCCCOc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000726797649 572598949 /nfs/dbraw/zinc/59/89/49/572598949.db2.gz NVTPXMIZMUORLD-UHFFFAOYSA-N 0 3 296.370 3.365 20 30 CGEDHN C=CCN(C[C@H](O)c1cccc(Cl)c1)C(C)C ZINC000743841105 572687074 /nfs/dbraw/zinc/68/70/74/572687074.db2.gz FAHYTNQCVOAFAM-AWEZNQCLSA-N 0 3 253.773 3.270 20 30 CGEDHN C=CC[N@@H+](CCCCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419717 572720448 /nfs/dbraw/zinc/72/04/48/572720448.db2.gz ZDBHNCZGVBSYKP-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CC[N@H+](CCCCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419717 572720450 /nfs/dbraw/zinc/72/04/50/572720450.db2.gz ZDBHNCZGVBSYKP-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CC[N@@H+](CCCCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419717 572720454 /nfs/dbraw/zinc/72/04/54/572720454.db2.gz ZDBHNCZGVBSYKP-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CC[N@H+](CCCCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419717 572720457 /nfs/dbraw/zinc/72/04/57/572720457.db2.gz ZDBHNCZGVBSYKP-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H](C)C3CC3)nc21 ZINC000735788840 572739995 /nfs/dbraw/zinc/73/99/95/572739995.db2.gz HYSTYAJWAWNJDG-DGCLKSJQSA-N 0 3 281.359 3.484 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@@H](C)C3CC3)[nH]c21 ZINC000735788840 572739999 /nfs/dbraw/zinc/73/99/99/572739999.db2.gz HYSTYAJWAWNJDG-DGCLKSJQSA-N 0 3 281.359 3.484 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3C=CCC3)nc21 ZINC000735790565 572740334 /nfs/dbraw/zinc/74/03/34/572740334.db2.gz NIDKPSIKQJHFTO-OLZOCXBDSA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@@H]3C=CCC3)[nH]c21 ZINC000735790565 572740339 /nfs/dbraw/zinc/74/03/39/572740339.db2.gz NIDKPSIKQJHFTO-OLZOCXBDSA-N 0 3 279.343 3.404 20 30 CGEDHN C=C(Cl)CN(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000747531163 572934453 /nfs/dbraw/zinc/93/44/53/572934453.db2.gz DXHGQSIMZBWFDM-INIZCTEOSA-N 0 3 278.827 3.335 20 30 CGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000749025441 572988461 /nfs/dbraw/zinc/98/84/61/572988461.db2.gz FHBCWFDGQHUEHY-LLVKDONJSA-N 0 3 290.750 3.344 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000980651329 613308317 /nfs/dbraw/zinc/30/83/17/613308317.db2.gz GWQPXARMTGTHEF-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000980667680 613308332 /nfs/dbraw/zinc/30/83/32/613308332.db2.gz WZWFQCXFDXDGFI-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968659462 613325347 /nfs/dbraw/zinc/32/53/47/613325347.db2.gz GDBGMLDKBPBWOU-NVXWUHKLSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974618152 613341679 /nfs/dbraw/zinc/34/16/79/613341679.db2.gz CVILOGYDJXVLKY-MAUKXSAKSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1=CCCC1 ZINC000960260467 613350464 /nfs/dbraw/zinc/35/04/64/613350464.db2.gz GJOBRWCJTDYZPN-QZTJIDSGSA-N 0 3 296.414 3.045 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2sc(C)cc2C)CC1 ZINC000981250826 613498614 /nfs/dbraw/zinc/49/86/14/613498614.db2.gz LTIOGBUSHROGEJ-UHFFFAOYSA-N 0 3 292.448 3.089 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC000972471218 613614790 /nfs/dbraw/zinc/61/47/90/613614790.db2.gz CJVOAZSOVDGNQO-DLBZAZTESA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC000968842969 613684210 /nfs/dbraw/zinc/68/42/10/613684210.db2.gz GGGXCJNSUGDKLN-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC000968733919 613684861 /nfs/dbraw/zinc/68/48/61/613684861.db2.gz XSJIEZKHRYPOJK-QGZVFWFLSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000940725881 613756327 /nfs/dbraw/zinc/75/63/27/613756327.db2.gz HVNYAXQSLYGAOH-CQSZACIVSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2CCC)C[C@H]1C ZINC000947925574 613794713 /nfs/dbraw/zinc/79/47/13/613794713.db2.gz QIQFTLDCMYDTFW-KGLIPLIRSA-N 0 3 290.407 3.001 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@@H](C)C1 ZINC000945942695 613798308 /nfs/dbraw/zinc/79/83/08/613798308.db2.gz KIUOYXVVVZSCFI-BBRMVZONSA-N 0 3 298.386 3.059 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cscc2Cl)[C@@H](C)C1 ZINC000942155694 613799464 /nfs/dbraw/zinc/79/94/64/613799464.db2.gz KEAKXMMFZRDFOA-GWCFXTLKSA-N 0 3 298.839 3.028 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CCCOC(C)C)c([O-])c1 ZINC000254949617 617689705 /nfs/dbraw/zinc/68/97/05/617689705.db2.gz VJFVLTWUSKVSMZ-AQTBWJFISA-N 0 3 292.423 3.472 20 30 CGEDHN CN1CCCC(C)(C)[C@@H]1CNc1nc(Cl)c(C#N)s1 ZINC000804677098 617787602 /nfs/dbraw/zinc/78/76/02/617787602.db2.gz IYHCZWAVMDDLSA-JTQLQIEISA-N 0 3 298.843 3.200 20 30 CGEDHN C#CCC1(NCC(=O)Nc2ccc(C(C)C)cc2)CCC1 ZINC000933298244 618194465 /nfs/dbraw/zinc/19/44/65/618194465.db2.gz DVDFABBJMDCGPY-UHFFFAOYSA-N 0 3 284.403 3.284 20 30 CGEDHN Cc1cc(C#N)nc(NC[C@H](c2cccs2)N(C)C)c1 ZINC000891488845 618231286 /nfs/dbraw/zinc/23/12/86/618231286.db2.gz CJBDLNSEHBCMDM-CYBMUJFWSA-N 0 3 286.404 3.038 20 30 CGEDHN CCN(C[C@@H](C)C#N)CC1(CCCOC)CCC1 ZINC000891716295 618256151 /nfs/dbraw/zinc/25/61/51/618256151.db2.gz NOVATAYKCHFORS-AWEZNQCLSA-N 0 3 252.402 3.065 20 30 CGEDHN Cc1ncc(CCN[C@H](C)c2ccc(C#N)cc2F)s1 ZINC000781420451 618703235 /nfs/dbraw/zinc/70/32/35/618703235.db2.gz ABMFDWKXLWYDHV-SNVBAGLBSA-N 0 3 289.379 3.356 20 30 CGEDHN CCc1ccc(CNCC#Cc2ccccc2)s1 ZINC000227659410 618722914 /nfs/dbraw/zinc/72/29/14/618722914.db2.gz XZUCHSJAIRUYRY-UHFFFAOYSA-N 0 3 255.386 3.452 20 30 CGEDHN C=CCCCCNCc1c(Cl)nc(Cl)n1C ZINC000309510529 618922530 /nfs/dbraw/zinc/92/25/30/618922530.db2.gz PDMZAMHNFZLPFQ-UHFFFAOYSA-N 0 3 262.184 3.173 20 30 CGEDHN O[C@H](c1ccccc1)C1(CNCC#Cc2ccccc2)CC1 ZINC000893180491 619020702 /nfs/dbraw/zinc/02/07/02/619020702.db2.gz HILJETPDZYQXNJ-LJQANCHMSA-N 0 3 291.394 3.142 20 30 CGEDHN Cc1ccc(C2(NCc3cncc(C#N)c3)CCC2)cc1 ZINC000930824095 619080228 /nfs/dbraw/zinc/08/02/28/619080228.db2.gz AFAYQKNPXOSOMJ-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CN(C)Cc2ccccc21 ZINC000925634932 619099706 /nfs/dbraw/zinc/09/97/06/619099706.db2.gz NAPUIXIFHWCRCD-CJNGLKHVSA-N 0 3 271.408 3.091 20 30 CGEDHN C[C@H]1CN(CCCCC(C)(C)C#N)Cc2c[nH]nc21 ZINC000931461459 619169006 /nfs/dbraw/zinc/16/90/06/619169006.db2.gz UAFUSSLEEWKNKB-LBPRGKRZSA-N 0 3 260.385 3.049 20 30 CGEDHN C=CCCN(C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000893930109 619334712 /nfs/dbraw/zinc/33/47/12/619334712.db2.gz QARCTIIUQAJDQP-UHFFFAOYSA-N 0 3 287.329 3.174 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1cnn(C2CCC2)c1 ZINC000895785036 619885558 /nfs/dbraw/zinc/88/55/58/619885558.db2.gz BKYDMVJCQPCTNP-UHFFFAOYSA-N 0 3 294.402 3.154 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCOC2(C)C)c([O-])c1 ZINC000840704956 620072896 /nfs/dbraw/zinc/07/28/96/620072896.db2.gz BHJKXWKQZPMVDX-UWCCDQBKSA-N 0 3 290.407 3.225 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2COCC2(C)C)c([O-])c1 ZINC000840708366 620093936 /nfs/dbraw/zinc/09/39/36/620093936.db2.gz FUAIQTUVVDCAIR-VHWUNXFSSA-N 0 3 290.407 3.082 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2COCC2(C)C)c([O-])c1 ZINC000840708365 620094038 /nfs/dbraw/zinc/09/40/38/620094038.db2.gz FUAIQTUVVDCAIR-PMFHANACSA-N 0 3 290.407 3.082 20 30 CGEDHN C=C1CC(C)(c2noc(C3CCN(C4CC4)CC3)n2)C1 ZINC000896919264 620100277 /nfs/dbraw/zinc/10/02/77/620100277.db2.gz LRMXBXIACLDVQZ-UHFFFAOYSA-N 0 3 273.380 3.019 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCC23CCCC3)n1 ZINC000897629957 620414584 /nfs/dbraw/zinc/41/45/84/620414584.db2.gz PSNJIBIWWLWPCJ-GFCCVEGCSA-N 0 3 261.394 3.217 20 30 CGEDHN CC1(C)C[C@H](NCc2cccc(F)c2C#N)CCS1 ZINC000897793466 620432492 /nfs/dbraw/zinc/43/24/92/620432492.db2.gz NARDFIWWYJSVBS-GFCCVEGCSA-N 0 3 278.396 3.461 20 30 CGEDHN C#Cc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000898322793 620506492 /nfs/dbraw/zinc/50/64/92/620506492.db2.gz RJVNUAVJVBBVEO-GOSISDBHSA-N 0 3 262.356 3.304 20 30 CGEDHN C=CC(C)(C)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000898456738 620589864 /nfs/dbraw/zinc/58/98/64/620589864.db2.gz DGZHMBVGVBKHBH-UHFFFAOYSA-N 0 3 259.328 3.066 20 30 CGEDHN Fc1cc([C@H]2CCCCC2=Nn2cnnc2)cc(F)c1F ZINC000901118789 620833957 /nfs/dbraw/zinc/83/39/57/620833957.db2.gz JBOKMTLIXYMHOY-SNVBAGLBSA-N 0 3 294.280 3.257 20 30 CGEDHN C[C@H](COc1ccccc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902778973 621437250 /nfs/dbraw/zinc/43/72/50/621437250.db2.gz LGJQBQNKIVMPRE-KGLIPLIRSA-N 0 3 281.359 3.071 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902886169 621484816 /nfs/dbraw/zinc/48/48/16/621484816.db2.gz LWKJKBKVLQBEFS-QWRGUYRKSA-N 0 3 284.363 3.012 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)NCC1(C#N)CC1 ZINC000903108404 621581078 /nfs/dbraw/zinc/58/10/78/621581078.db2.gz BWELIEJHPPCRGN-MRXNPFEDSA-N 0 3 254.377 3.457 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1nc(CN(C)C)cs1 ZINC000903219851 621633006 /nfs/dbraw/zinc/63/30/06/621633006.db2.gz LBEFHLYZQUWCGN-CYBMUJFWSA-N 0 3 281.469 3.429 20 30 CGEDHN COC1(CN[C@H](C)c2cc(C#N)ccn2)CCCCCC1 ZINC000903418652 621737396 /nfs/dbraw/zinc/73/73/96/621737396.db2.gz MVCQEUPRBXHFQG-CQSZACIVSA-N 0 3 287.407 3.343 20 30 CGEDHN CC(C)[C@@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000905462847 622078297 /nfs/dbraw/zinc/07/82/97/622078297.db2.gz WIYFJGRADFUUCS-DLBZAZTESA-N 0 3 269.392 3.287 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Br)cc1 ZINC000911907248 622569188 /nfs/dbraw/zinc/56/91/88/622569188.db2.gz JDGHECVGGBPMHV-GFCCVEGCSA-N 0 3 297.196 3.071 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)cc1OCCC ZINC000912457788 622659816 /nfs/dbraw/zinc/65/98/16/622659816.db2.gz ASQSEZREOTUKTA-AWEZNQCLSA-N 0 3 290.407 3.406 20 30 CGEDHN CCCCCCCN(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000158053979 622993787 /nfs/dbraw/zinc/99/37/87/622993787.db2.gz NNJSIHGQUJEYJN-HNNXBMFYSA-N 0 3 289.485 3.246 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000229899914 623177734 /nfs/dbraw/zinc/17/77/34/623177734.db2.gz VKUABJUIXGDBBU-LBPRGKRZSA-N 0 3 283.318 3.188 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cccc(Cl)c1 ZINC000755871443 625630863 /nfs/dbraw/zinc/63/08/63/625630863.db2.gz GDAKUUWFPJHGQX-JTQLQIEISA-N 0 3 263.772 3.222 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccccc3CC)CCC[C@H]12 ZINC000992159888 623453644 /nfs/dbraw/zinc/45/36/44/623453644.db2.gz MSQNEDDHLYOOCT-PKOBYXMFSA-N 0 3 298.430 3.162 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993191156 623907301 /nfs/dbraw/zinc/90/73/01/623907301.db2.gz AFUZMUUKSWXBEP-HOCLYGCPSA-N 0 3 276.424 3.032 20 30 CGEDHN Cc1cccc(OC[C@@H](C)NCc2csc(C#N)c2)c1 ZINC000921582773 625691904 /nfs/dbraw/zinc/69/19/04/625691904.db2.gz MCYNLCZQYPGPFT-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000993996167 624066903 /nfs/dbraw/zinc/06/69/03/624066903.db2.gz QQTGKYWYRGHGFJ-HIFRSBDPSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(CNCc1ccnn1C1CCC1)c1ccccc1 ZINC000921608452 625695839 /nfs/dbraw/zinc/69/58/39/625695839.db2.gz HBIWCUTZWRKEQI-UHFFFAOYSA-N 0 3 267.376 3.411 20 30 CGEDHN CCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000916901991 624220929 /nfs/dbraw/zinc/22/09/29/624220929.db2.gz AUSLINPPBCDQNR-AWEZNQCLSA-N 0 3 286.375 3.259 20 30 CGEDHN C=CCN(Cc1nc2ccccc2nc1C)C(C)C ZINC000917071719 624234387 /nfs/dbraw/zinc/23/43/87/624234387.db2.gz YEBSCPGTPXEAFM-UHFFFAOYSA-N 0 3 255.365 3.335 20 30 CGEDHN C#CCN(C[C@H](O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000917117176 624242439 /nfs/dbraw/zinc/24/24/39/624242439.db2.gz DWSWDJLFVBIYBQ-PMACEKPBSA-N 0 3 291.394 3.343 20 30 CGEDHN C#CCCCN1CCc2cc(OCC)c(OCC)cc2C1 ZINC000766895851 624384589 /nfs/dbraw/zinc/38/45/89/624384589.db2.gz TWQUCCAVVBFRTG-UHFFFAOYSA-N 0 3 287.403 3.256 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000181254695 624834753 /nfs/dbraw/zinc/83/47/53/624834753.db2.gz DZFUPNARRGRRPA-CYBMUJFWSA-N 0 3 273.298 3.247 20 30 CGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(C#N)c1 ZINC000181985687 624926604 /nfs/dbraw/zinc/92/66/04/624926604.db2.gz QYRPDGXQVVWEPO-CQSZACIVSA-N 0 3 291.354 3.311 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccsc2C)C1 ZINC000998730570 625819473 /nfs/dbraw/zinc/81/94/73/625819473.db2.gz ZMFZDYQLCQPWIS-UHFFFAOYSA-N 0 3 298.839 3.002 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000999430822 625830113 /nfs/dbraw/zinc/83/01/13/625830113.db2.gz NYEYYCKRWODOHU-XSCHDIRWSA-N 0 3 298.858 3.000 20 30 CGEDHN C#CCCCCNCc1cc(C#N)ccc1Br ZINC000921838742 625897119 /nfs/dbraw/zinc/89/71/19/625897119.db2.gz QWSNOZBUTNAMAR-UHFFFAOYSA-N 0 3 291.192 3.214 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2C(C)C)C1 ZINC001016328599 625951191 /nfs/dbraw/zinc/95/11/91/625951191.db2.gz WTTDBXLZLVWRIM-ZDUSSCGKSA-N 0 3 292.448 3.252 20 30 CGEDHN N#Cc1cc(CNC2CC(OCc3ccccc3)C2)cs1 ZINC000922004432 625959360 /nfs/dbraw/zinc/95/93/60/625959360.db2.gz SERAHIWSNZSUGK-UHFFFAOYSA-N 0 3 298.411 3.457 20 30 CGEDHN N#Cc1cc(CN[C@@H]2C[C@H]2c2ccccc2F)cs1 ZINC000922178372 625979807 /nfs/dbraw/zinc/97/98/07/625979807.db2.gz PVVIWHVRTGHBFP-DZGCQCFKSA-N 0 3 272.348 3.405 20 30 CGEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cscn1 ZINC000922600102 626017928 /nfs/dbraw/zinc/01/79/28/626017928.db2.gz NHFGPTNWVXFYRC-UHFFFAOYSA-N 0 3 271.389 3.126 20 30 CGEDHN CCCCCCCCC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923306471 626145098 /nfs/dbraw/zinc/14/50/98/626145098.db2.gz MMZYWEZKXZLQLW-CVEARBPZSA-N 0 3 280.456 3.432 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)CS1 ZINC000754143165 626560443 /nfs/dbraw/zinc/56/04/43/626560443.db2.gz ILTIXSZXSYGHAL-ZFWWWQNUSA-N 0 3 278.396 3.317 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1nc2ccccc2s1 ZINC000754710318 626583548 /nfs/dbraw/zinc/58/35/48/626583548.db2.gz IMHSUVXJASXOTH-NEPJUHHUSA-N 0 3 276.405 3.274 20 30 CGEDHN CCCCCCCCCCNC(=O)N1CCCN(C)CC1 ZINC000756097650 626676345 /nfs/dbraw/zinc/67/63/45/626676345.db2.gz WHKNRLDGYKYNEJ-UHFFFAOYSA-N 0 3 297.487 3.474 20 30 CGEDHN C#CC[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000756998006 626745965 /nfs/dbraw/zinc/74/59/65/626745965.db2.gz PZNBMWPKFVNXMM-SFHVURJKSA-N 0 3 260.340 3.412 20 30 CGEDHN CC[C@H](C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000760342138 626961630 /nfs/dbraw/zinc/96/16/30/626961630.db2.gz VZEIXPNZPQLHAD-WFASDCNBSA-N 0 3 279.343 3.480 20 30 CGEDHN Cc1cc(Br)ccc1N=NC1C[C@H](C)N(C)C1 ZINC000761808691 627062142 /nfs/dbraw/zinc/06/21/42/627062142.db2.gz DNDZATSANVPTOR-JTQLQIEISA-N 0 3 296.212 3.249 20 30 CGEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@H]2c2ccccc2)cc1 ZINC000763414646 627157504 /nfs/dbraw/zinc/15/75/04/627157504.db2.gz XQLMZOWJJWDHQS-MSOLQXFVSA-N 0 3 278.355 3.039 20 30 CGEDHN c1sc(N=NC2CCN3CCC[C@@H]23)nc1-c1ccccc1 ZINC000765569389 627260028 /nfs/dbraw/zinc/26/00/28/627260028.db2.gz KGLZUUXTYCNRGF-HNNXBMFYSA-N 0 3 298.415 3.446 20 30 CGEDHN C#CCCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000766894953 627367586 /nfs/dbraw/zinc/36/75/86/627367586.db2.gz HNJQHZHSKWFXKF-NXEZZACHSA-N 0 3 287.247 3.463 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc3c(c2)COC3)cc1 ZINC000769927073 627590494 /nfs/dbraw/zinc/59/04/94/627590494.db2.gz DPXJZMVPVKBFNI-UHFFFAOYSA-N 0 3 293.366 3.019 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2nc(Cl)cs2)CC1 ZINC000877834667 635235269 /nfs/dbraw/zinc/23/52/69/635235269.db2.gz WTYIXINVPQTOIM-MGCOHNPYSA-N 0 3 254.786 3.078 20 30 CGEDHN C=CCCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772718533 627817647 /nfs/dbraw/zinc/81/76/47/627817647.db2.gz KUBNGGXPHQLPKF-UHFFFAOYSA-N 0 3 287.403 3.408 20 30 CGEDHN CCN(CC)c1ccc(C=NOC2CCOCC2)cc1 ZINC000774456864 627993278 /nfs/dbraw/zinc/99/32/78/627993278.db2.gz HYZSXUNYODPXJO-UHFFFAOYSA-N 0 3 276.380 3.062 20 30 CGEDHN C#CCNC(=O)CN[C@@H](CC1CCCCC1)c1ccccc1 ZINC000775323764 628082964 /nfs/dbraw/zinc/08/29/64/628082964.db2.gz RLYVKDHGQQAKEZ-SFHVURJKSA-N 0 3 298.430 3.037 20 30 CGEDHN C#C[C@H](NCc1cc2ccccc2s1)[C@H]1CCCO1 ZINC000775346540 628085597 /nfs/dbraw/zinc/08/55/97/628085597.db2.gz UUZQNASIVQBMST-LSDHHAIUSA-N 0 3 271.385 3.172 20 30 CGEDHN N#CCC[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccccc1 ZINC000775554198 628106298 /nfs/dbraw/zinc/10/62/98/628106298.db2.gz VMTBFYJOTBCLNL-QZTJIDSGSA-N 0 3 298.361 3.494 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000775572327 628109147 /nfs/dbraw/zinc/10/91/47/628109147.db2.gz ABPWSNHJMCXEEN-KKXDTOCCSA-N 0 3 269.388 3.007 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1cn(-c2ccccc2)nn1 ZINC000776257546 628186066 /nfs/dbraw/zinc/18/60/66/628186066.db2.gz YFIKUSBRWNFSTJ-OAHLLOKOSA-N 0 3 284.407 3.492 20 30 CGEDHN C(=NOC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000777456775 628272794 /nfs/dbraw/zinc/27/27/94/628272794.db2.gz HEOIBKKNZCVWOA-UHFFFAOYSA-N 0 3 288.391 3.206 20 30 CGEDHN C#CCCCCCOC(=O)C(C)(C)N(C)C1CCCC1 ZINC000778711088 628367264 /nfs/dbraw/zinc/36/72/64/628367264.db2.gz WMJXUXKHIIHHRO-UHFFFAOYSA-N 0 3 279.424 3.376 20 30 CGEDHN c1ccc2c(c1)CCCCC2N=Nc1ccncc1 ZINC000779811766 628434514 /nfs/dbraw/zinc/43/45/14/628434514.db2.gz UQEUGDYPKXHTGR-UHFFFAOYSA-N 0 3 251.333 3.046 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(n2cccn2)CC1 ZINC000782181794 628620482 /nfs/dbraw/zinc/62/04/82/628620482.db2.gz YGCXBSGSHLRLMY-AWEZNQCLSA-N 0 3 280.375 3.153 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000783874662 628754622 /nfs/dbraw/zinc/75/46/22/628754622.db2.gz CKULGAPROPNGRF-JTQLQIEISA-N 0 3 288.782 3.094 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(OC(C)=O)cc1 ZINC000785998216 628906779 /nfs/dbraw/zinc/90/67/79/628906779.db2.gz ZHMIPFIIXXUGHS-HNNXBMFYSA-N 0 3 259.349 3.152 20 30 CGEDHN C=CCSCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000788734181 629077101 /nfs/dbraw/zinc/07/71/01/629077101.db2.gz KIMXPYXPNMCEJV-NSHDSACASA-N 0 3 268.813 3.231 20 30 CGEDHN CCCCCCC[C@H](C)N[C@H](C)c1ncnn1C ZINC000789594933 629149177 /nfs/dbraw/zinc/14/91/77/629149177.db2.gz QDAHKSWAXPCMHT-QWHCGFSZSA-N 0 3 252.406 3.215 20 30 CGEDHN C=C(C)[C@@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805917001 629194326 /nfs/dbraw/zinc/19/43/26/629194326.db2.gz VUCGNRATDSSBHP-OAHLLOKOSA-N 0 3 287.403 3.406 20 30 CGEDHN C#CCN(C)[C@H](CC)c1ccc(Br)cc1 ZINC000792302135 629355329 /nfs/dbraw/zinc/35/53/29/629355329.db2.gz NNADDPSBYLKNRQ-CYBMUJFWSA-N 0 3 266.182 3.465 20 30 CGEDHN N#Cc1csc(CN2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000862482571 629385579 /nfs/dbraw/zinc/38/55/79/629385579.db2.gz JVSDPZBPSYXRMY-QGZVFWFLSA-N 0 3 298.411 3.103 20 30 CGEDHN C#CCN[C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000792922909 629394326 /nfs/dbraw/zinc/39/43/26/629394326.db2.gz BZWYUWVSEBJKAL-CYBMUJFWSA-N 0 3 272.175 3.294 20 30 CGEDHN N#CCc1cccc2c1CC[N@@H+](Cc1ccccc1[O-])C2 ZINC000862542468 629397228 /nfs/dbraw/zinc/39/72/28/629397228.db2.gz QCFWAQQNLJHOQM-UHFFFAOYSA-N 0 3 278.355 3.017 20 30 CGEDHN N#CCc1cccc2c1CC[N@H+](Cc1ccccc1[O-])C2 ZINC000862542468 629397231 /nfs/dbraw/zinc/39/72/31/629397231.db2.gz QCFWAQQNLJHOQM-UHFFFAOYSA-N 0 3 278.355 3.017 20 30 CGEDHN Cc1nn(-c2ccccc2)c(N)c1C=NN[C@@H](C)C(C)(C)C ZINC000793117307 629413778 /nfs/dbraw/zinc/41/37/78/629413778.db2.gz XACZQFYXNAWBMH-ZDUSSCGKSA-N 0 3 299.422 3.121 20 30 CGEDHN CCc1ccc(C(C)=NNc2ccnc(C)c2)s1 ZINC000863158810 629484313 /nfs/dbraw/zinc/48/43/13/629484313.db2.gz RQXNSOSLOIONHR-UHFFFAOYSA-N 0 3 259.378 3.272 20 30 CGEDHN Cc1cc(NN=C(C[C@@H]2CCOC2)c2ccccc2)ccn1 ZINC000863159227 629484888 /nfs/dbraw/zinc/48/48/88/629484888.db2.gz IKBGEOPIBYCBQK-HNNXBMFYSA-N 0 3 295.386 3.055 20 30 CGEDHN c1cnn(N=C2CCN(C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000863163605 629486946 /nfs/dbraw/zinc/48/69/46/629486946.db2.gz KJWLCTCTZMJQHH-QGZVFWFLSA-N 0 3 280.375 3.087 20 30 CGEDHN C#CCCN1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000795398025 629669668 /nfs/dbraw/zinc/66/96/68/629669668.db2.gz TYJPRMHNDXKPJL-LBPRGKRZSA-N 0 3 280.774 3.013 20 30 CGEDHN C=CCN(CCOC)[C@H]1CCc2cc(Cl)ccc21 ZINC000796031152 629738508 /nfs/dbraw/zinc/73/85/08/629738508.db2.gz DHPJVZKOEAPNBW-HNNXBMFYSA-N 0 3 265.784 3.462 20 30 CGEDHN CCCc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000798815732 630099485 /nfs/dbraw/zinc/09/94/85/630099485.db2.gz CTOKRYMAJQZENH-CQSZACIVSA-N 0 3 296.326 3.193 20 30 CGEDHN C[C@@H](C#N)OCCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000801932356 630369144 /nfs/dbraw/zinc/36/91/44/630369144.db2.gz LAVVPAZFWHQYLF-NSHDSACASA-N 0 3 298.308 3.213 20 30 CGEDHN CC[C@@H](NCCO[C@H](C)C#N)c1ccccc1OC(F)F ZINC000801937783 630370884 /nfs/dbraw/zinc/37/08/84/630370884.db2.gz WJHSEFYFXYDQMV-DGCLKSJQSA-N 0 3 298.333 3.257 20 30 CGEDHN C#C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C(C)(C)C ZINC000807880265 630602593 /nfs/dbraw/zinc/60/25/93/630602593.db2.gz FVBQQUFWCFUTIL-QGZVFWFLSA-N 0 3 298.430 3.060 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@H](C)c2ccccc21)[C@@H]1CCCO1 ZINC000808713154 630669008 /nfs/dbraw/zinc/66/90/08/630669008.db2.gz FMPCIZZWHCQAFW-SJWGOKEGSA-N 0 3 255.361 3.005 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H](CC(=O)OC(C)C)C2)cc1 ZINC000809640175 630772242 /nfs/dbraw/zinc/77/22/42/630772242.db2.gz BTQDLKCUSFKXOZ-GOSISDBHSA-N 0 3 299.414 3.222 20 30 CGEDHN C#C[C@H](C)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000809684013 630779164 /nfs/dbraw/zinc/77/91/64/630779164.db2.gz WJIVQXBCTVITEX-QMMMGPOBSA-N 0 3 261.674 3.470 20 30 CGEDHN C#C[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000809683434 630779390 /nfs/dbraw/zinc/77/93/90/630779390.db2.gz CZYAQAWUMVVJJY-OAHLLOKOSA-N 0 3 290.366 3.249 20 30 CGEDHN C#C[C@H](NCc1ccccc1N1CCCCC1)C(C)C ZINC000809685373 630780658 /nfs/dbraw/zinc/78/06/58/630780658.db2.gz QBFUSSUXQBVYFW-KRWDZBQOSA-N 0 3 270.420 3.424 20 30 CGEDHN C#C[C@H](NCc1ccccc1OCc1cccnc1)C(C)C ZINC000809685542 630781129 /nfs/dbraw/zinc/78/11/29/630781129.db2.gz ZLJHJGUDXPZFRV-SFHVURJKSA-N 0 3 294.398 3.408 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810428044 630877212 /nfs/dbraw/zinc/87/72/12/630877212.db2.gz QRCUYAOOIULTMG-QGZVFWFLSA-N 0 3 298.446 3.404 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CCCCF)c([O-])c1 ZINC000812444831 631261311 /nfs/dbraw/zinc/26/13/11/631261311.db2.gz NUJXTGKVHPTCKL-ATVHPVEESA-N 0 3 266.360 3.407 20 30 CGEDHN CCCCCCCCN1CCOC[C@H]1CCOC ZINC000812886959 631328671 /nfs/dbraw/zinc/32/86/71/631328671.db2.gz PQCJOGJQKNECPL-OAHLLOKOSA-N 0 3 257.418 3.084 20 30 CGEDHN CCC(CC)CNN=C1CCCc2ccc(N)cc21 ZINC000814906000 631675005 /nfs/dbraw/zinc/67/50/05/631675005.db2.gz BTQIBJZIWUEONE-UHFFFAOYSA-N 0 3 259.397 3.335 20 30 CGEDHN CC(=NNc1nccn1C)c1cccc(C2CC2)c1 ZINC000814918250 631681183 /nfs/dbraw/zinc/68/11/83/631681183.db2.gz IJIIMFCIOPCULL-UHFFFAOYSA-N 0 3 254.337 3.134 20 30 CGEDHN N#CCCOCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000815070480 631711547 /nfs/dbraw/zinc/71/15/47/631711547.db2.gz RDZSYLLLIASUGY-SFHVURJKSA-N 0 3 298.361 3.435 20 30 CGEDHN C#CCN(C/C(C)=C\c1ccccc1COC)C1CC1 ZINC000816570047 632016601 /nfs/dbraw/zinc/01/66/01/632016601.db2.gz GFVHFXGANOUBOK-QINSGFPZSA-N 0 3 269.388 3.334 20 30 CGEDHN Cc1nsc(C)c1CN(C)CCc1cccc(C#N)c1 ZINC000879433413 635787447 /nfs/dbraw/zinc/78/74/47/635787447.db2.gz ZDOZXXQHQZWPET-UHFFFAOYSA-N 0 3 285.416 3.306 20 30 CGEDHN C=CCCCCC[C@@H](C)NCc1nn(CC)nc1C ZINC000818345716 632312110 /nfs/dbraw/zinc/31/21/10/632312110.db2.gz OGZZAAZRNKDNNR-CYBMUJFWSA-N 0 3 264.417 3.221 20 30 CGEDHN C#CCN[C@@H](c1ccc(OCC)c(OCC)c1)C(C)C ZINC000818744297 632347977 /nfs/dbraw/zinc/34/79/77/632347977.db2.gz MBRVTMGGZSTXJB-QGZVFWFLSA-N 0 3 275.392 3.404 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2nn(C)cc2C(F)F)C1 ZINC000865808025 632896848 /nfs/dbraw/zinc/89/68/48/632896848.db2.gz WHXNBNSSUNZNOE-GHMZBOCLSA-N 0 3 269.339 3.192 20 30 CGEDHN C#Cc1cccc(CNCc2cc(OC)c(OC)cc2C)c1 ZINC000825227023 633337381 /nfs/dbraw/zinc/33/73/81/633337381.db2.gz PIKRHLROQRDGMI-UHFFFAOYSA-N 0 3 295.382 3.283 20 30 CGEDHN C=C(Br)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825247119 633339652 /nfs/dbraw/zinc/33/96/52/633339652.db2.gz NDSUKZPAGBUGKT-UHFFFAOYSA-N 0 3 290.588 3.352 20 30 CGEDHN CC(C)CO[C@@H]1C[C@H](NCC2(C#N)CCC2)C1(C)C ZINC000831275640 633936248 /nfs/dbraw/zinc/93/62/48/633936248.db2.gz ANGZKEVEFIUNGN-UONOGXRCSA-N 0 3 264.413 3.110 20 30 CGEDHN Cc1nnc(C)n1N=C/C=C\c1cc(C)c(C)cc1C ZINC000872336037 634111114 /nfs/dbraw/zinc/11/11/14/634111114.db2.gz OAURVKPAQCBMMK-OIHZLXORSA-N 0 3 268.364 3.368 20 30 CGEDHN C#Cc1cccc(CN[C@H]2CCc3ccc(OC)cc32)c1 ZINC000834903812 634280076 /nfs/dbraw/zinc/28/00/76/634280076.db2.gz SQLPBORKDJEZOC-IBGZPJMESA-N 0 3 277.367 3.454 20 30 CGEDHN C#Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000834904143 634281382 /nfs/dbraw/zinc/28/13/82/634281382.db2.gz VOLRRGNUISENTH-CQSZACIVSA-N 0 3 277.367 3.454 20 30 CGEDHN C#CCSCCNCc1ccc(C)cc1Br ZINC000125966192 634843661 /nfs/dbraw/zinc/84/36/61/634843661.db2.gz UNGDBOAOTIUMFF-UHFFFAOYSA-N 0 3 298.249 3.214 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)cc1OCCC ZINC000876595760 634864181 /nfs/dbraw/zinc/86/41/81/634864181.db2.gz KGPMSFUMGKFKKY-LBPRGKRZSA-N 0 3 296.798 3.192 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1C)C(C)C ZINC000876657829 634876700 /nfs/dbraw/zinc/87/67/00/634876700.db2.gz SHOHYGLEXAQCTK-GJZGRUSLSA-N 0 3 294.826 3.278 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000876907114 634925851 /nfs/dbraw/zinc/92/58/51/634925851.db2.gz BONGPJCZNNFJPT-GXTWGEPZSA-N 0 3 298.858 3.275 20 30 CGEDHN C=CCCC1(CNC(=O)[C@H](N)CC(=C)Cl)CCCC1 ZINC000876959212 634937815 /nfs/dbraw/zinc/93/78/15/634937815.db2.gz QAILNTOTDFZDAG-CYBMUJFWSA-N 0 3 284.831 3.099 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1c2ccccc2C(C)(C)[C@H]1C ZINC000876970415 634940931 /nfs/dbraw/zinc/94/09/31/634940931.db2.gz QUWSEABWLZUJRM-YPMHNXCESA-N 0 3 292.810 3.169 20 30 CGEDHN C=CCCC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877137514 634999075 /nfs/dbraw/zinc/99/90/75/634999075.db2.gz WPBMVGMMBMDQGU-NSHDSACASA-N 0 3 263.772 3.441 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672310 635141401 /nfs/dbraw/zinc/14/14/01/635141401.db2.gz BGRYQTMNVMNNLR-WOJBJXKFSA-N 0 3 291.394 3.366 20 30 CGEDHN CCOc1cncc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000877705196 635156662 /nfs/dbraw/zinc/15/66/62/635156662.db2.gz VSFLNHYELCXMLY-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN COc1ccsc1CN(C)CCc1cccc(C#N)c1 ZINC000877704933 635156674 /nfs/dbraw/zinc/15/66/74/635156674.db2.gz XTJZQBBBMJTJOV-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN C[C@@H](CC#N)NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841633071 635203148 /nfs/dbraw/zinc/20/31/48/635203148.db2.gz NBJFZEGISHKWNB-KBXCAEBGSA-N 0 3 296.418 3.234 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCC2)O1 ZINC000877916473 635268091 /nfs/dbraw/zinc/26/80/91/635268091.db2.gz DBZOHDJEOSQJFI-INIZCTEOSA-N 0 3 270.376 3.092 20 30 CGEDHN CC(=O)[C@](C#N)(CCN(C(C)C)C1CC1)c1ccccc1 ZINC000877965066 635292396 /nfs/dbraw/zinc/29/23/96/635292396.db2.gz RPXKECBOZABDQO-GOSISDBHSA-N 0 3 284.403 3.300 20 30 CGEDHN C#CCCCCCN1CCN(CCc2cccs2)CC1 ZINC000877991899 635311285 /nfs/dbraw/zinc/31/12/85/635311285.db2.gz GCTWMSWINRLSHG-UHFFFAOYSA-N 0 3 290.476 3.102 20 30 CGEDHN FC(F)CON=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842529620 635392302 /nfs/dbraw/zinc/39/23/02/635392302.db2.gz FILMLFMNWZWRMP-UHFFFAOYSA-N 0 3 294.345 3.453 20 30 CGEDHN C=CC[C@H](C)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000878541101 635549701 /nfs/dbraw/zinc/54/97/01/635549701.db2.gz KSRGGBVIZYJQBE-CMPLNLGQSA-N 0 3 289.297 3.173 20 30 CGEDHN C=C/C=C\CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000878557765 635556023 /nfs/dbraw/zinc/55/60/23/635556023.db2.gz MPISXXFIYMLYRE-ARJAWSKDSA-N 0 3 267.376 3.071 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879239553 635731200 /nfs/dbraw/zinc/73/12/00/635731200.db2.gz CWCCSHDMFIAYTJ-MOPGFXCFSA-N 0 3 292.382 3.256 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000879314033 635753225 /nfs/dbraw/zinc/75/32/25/635753225.db2.gz PQZRQMGDBMXWMB-NVXWUHKLSA-N 0 3 286.419 3.150 20 30 CGEDHN CC(C)(NCc1cccc(C#N)c1F)[C@@H]1CCCCO1 ZINC000879407076 635779716 /nfs/dbraw/zinc/77/97/16/635779716.db2.gz VPXAQBAVOJDZEZ-AWEZNQCLSA-N 0 3 276.355 3.135 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000879927480 635884267 /nfs/dbraw/zinc/88/42/67/635884267.db2.gz XPQWSINADHRRRL-UONOGXRCSA-N 0 3 292.423 3.427 20 30 CGEDHN Cc1cc(CN2CCC[C@@]3(CC3(F)F)C2)ccc1C#N ZINC000844441581 635904010 /nfs/dbraw/zinc/90/40/10/635904010.db2.gz OZWVPIUAZULMFO-OAHLLOKOSA-N 0 3 276.330 3.488 20 30 CGEDHN CCc1ccc(CN2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000880249290 635956356 /nfs/dbraw/zinc/95/63/56/635956356.db2.gz VHNNHNLXQKHEFA-RBUKOAKNSA-N 0 3 297.446 3.059 20 30 CGEDHN C#CCC1(O)CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000880479367 636007912 /nfs/dbraw/zinc/00/79/12/636007912.db2.gz OFJSOXJFCQMDLZ-ZDUSSCGKSA-N 0 3 277.795 3.251 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@H]1C1CCCC1)c1ccccn1 ZINC000845441779 636036424 /nfs/dbraw/zinc/03/64/24/636036424.db2.gz UOMATXSOVMYRKB-IHRRRGAJSA-N 0 3 254.333 3.084 20 30 CGEDHN CCCCCCCCc1nnc(NC(=O)[C@H](N)CC)s1 ZINC000129112175 636153637 /nfs/dbraw/zinc/15/36/37/636153637.db2.gz PADIRYUOFSLESS-LLVKDONJSA-N 0 3 298.456 3.117 20 30 CGEDHN C#CC[C@@H](NCC1(Br)CC1)c1ccccc1 ZINC000846845586 636258376 /nfs/dbraw/zinc/25/83/76/636258376.db2.gz YWBLIVMAEQONPL-CYBMUJFWSA-N 0 3 278.193 3.268 20 30 CGEDHN N#CC(C(=O)CC1=CCCCC1)C(=O)NC1CCCCC1 ZINC000106983936 636402056 /nfs/dbraw/zinc/40/20/56/636402056.db2.gz SMKKPVSLKRYHGS-OAHLLOKOSA-N 0 3 288.391 3.035 20 30 CGEDHN C=CCCC[C@H](N[C@H](C)C(=O)NCC)c1ccccc1 ZINC000883167442 636563520 /nfs/dbraw/zinc/56/35/20/636563520.db2.gz YPDFDKOXISGIOZ-ZBFHGGJFSA-N 0 3 274.408 3.198 20 30 CGEDHN C1CCC(ON=C2CCCN3CCCC[C@H]23)CC1 ZINC000848408898 636569305 /nfs/dbraw/zinc/56/93/05/636569305.db2.gz FOTHHJGZJUNGFW-OAHLLOKOSA-N 0 3 250.386 3.340 20 30 CGEDHN Clc1ccnc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848408696 636569774 /nfs/dbraw/zinc/56/97/74/636569774.db2.gz WLXUPOHZLZYMBI-ZDUSSCGKSA-N 0 3 278.787 3.151 20 30 CGEDHN CSc1ccc(CN[C@@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000883199324 636580514 /nfs/dbraw/zinc/58/05/14/636580514.db2.gz AUNNSYFZMKTYRG-CQSZACIVSA-N 0 3 284.384 3.130 20 30 CGEDHN C=CCCC[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccccc1 ZINC000883207780 636585607 /nfs/dbraw/zinc/58/56/07/636585607.db2.gz SNZCMLSYZBYOTR-GOEBONIOSA-N 0 3 295.448 3.107 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](CC)c1cc(F)ccc1F ZINC000883389566 636733277 /nfs/dbraw/zinc/73/32/77/636733277.db2.gz UBEDNXCWDFPUBN-DOMZBBRYSA-N 0 3 269.335 3.333 20 30 CGEDHN C[C@H](NCc1cc(C#N)ccc1F)C(C)(C)C(F)F ZINC000850443073 637066037 /nfs/dbraw/zinc/06/60/37/637066037.db2.gz AOFQCVRWKNTANH-VIFPVBQESA-N 0 3 270.298 3.467 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850739152 637136064 /nfs/dbraw/zinc/13/60/64/637136064.db2.gz SWTCXTXLMHORIX-NEPJUHHUSA-N 0 3 281.359 3.186 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000886365960 637515204 /nfs/dbraw/zinc/51/52/04/637515204.db2.gz UHKLVVLZTPXFQQ-GFCCVEGCSA-N 0 3 256.374 3.142 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CC[C@@H](OC)C1 ZINC000852041198 637576852 /nfs/dbraw/zinc/57/68/52/637576852.db2.gz RHJYPHPSEKREDR-IAGOWNOFSA-N 0 3 291.439 3.410 20 30 CGEDHN C#CCN(C(=O)[C@@H](CCCC)C(C)C)C1CCN(C)CC1 ZINC000886573308 637587239 /nfs/dbraw/zinc/58/72/39/637587239.db2.gz DTEFFYWFMODTSF-KRWDZBQOSA-N 0 3 292.467 3.005 20 30 CGEDHN Cc1nc(C2CCN(Cc3ccccc3C#N)CC2)[nH]c1C ZINC000886662449 637639444 /nfs/dbraw/zinc/63/94/44/637639444.db2.gz DQGMQWIFRODLRI-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](c2ncccn2)C1 ZINC000886685781 637649922 /nfs/dbraw/zinc/64/99/22/637649922.db2.gz BUDRKHCXRWQGQF-KRWDZBQOSA-N 0 3 292.386 3.036 20 30 CGEDHN C#CCCN(CCOC)Cc1ccc(Cl)cc1C ZINC000852749431 637706533 /nfs/dbraw/zinc/70/65/33/637706533.db2.gz XWUJWEMYVMDLBO-UHFFFAOYSA-N 0 3 265.784 3.120 20 30 CGEDHN C=CC1CCN(Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000111166680 637782353 /nfs/dbraw/zinc/78/23/53/637782353.db2.gz LEMYFRHXQMREML-UHFFFAOYSA-N 0 3 277.318 3.170 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1ccc(-c2ccc(F)cn2)n1 ZINC000853598168 637871523 /nfs/dbraw/zinc/87/15/23/637871523.db2.gz MYWZIOBFCCUNSQ-GASCZTMLSA-N 0 3 298.365 3.225 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000853598205 637871564 /nfs/dbraw/zinc/87/15/64/637871564.db2.gz OKXLLHPIENJBAF-OAGGEKHMSA-N 0 3 290.451 3.412 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(Cl)nc1 ZINC000924715037 638393367 /nfs/dbraw/zinc/39/33/67/638393367.db2.gz ZZIXRCMLHDHTSH-JTQLQIEISA-N 0 3 251.761 3.153 20 30 CGEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925084740 638448366 /nfs/dbraw/zinc/44/83/66/638448366.db2.gz WXPKFGSJBANNKE-FZMZJTMJSA-N 0 3 272.396 3.080 20 30 CGEDHN C#CCOc1ccccc1CN[C@@H](C)CC(C)(C)C#N ZINC000925421089 638501241 /nfs/dbraw/zinc/50/12/41/638501241.db2.gz NUVNXQXPWDNLCI-AWEZNQCLSA-N 0 3 270.376 3.117 20 30 CGEDHN C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000925601944 638542502 /nfs/dbraw/zinc/54/25/02/638542502.db2.gz PWXYIHOVQTWUQY-CJNGLKHVSA-N 0 3 281.359 3.483 20 30 CGEDHN C=C(CC)CN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048174 638622023 /nfs/dbraw/zinc/62/20/23/638622023.db2.gz QBXBPSJIFKIYMZ-MRXNPFEDSA-N 0 3 272.392 3.378 20 30 CGEDHN C=CCSCCNCc1cc(F)c(N(C)C)cc1F ZINC000858127494 638637584 /nfs/dbraw/zinc/63/75/84/638637584.db2.gz GNJFBOPVAXQBBN-UHFFFAOYSA-N 0 3 286.391 3.040 20 30 CGEDHN C#CC[C@@H](COC)NCc1ccc(SC(F)F)cc1 ZINC000858335563 638685618 /nfs/dbraw/zinc/68/56/18/638685618.db2.gz YMWCYZLGVBBNDK-LBPRGKRZSA-N 0 3 285.359 3.129 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1ccc2c(n1)CCCC2 ZINC000926291575 638759842 /nfs/dbraw/zinc/75/98/42/638759842.db2.gz BWJQLJGHWUDBSY-CYBMUJFWSA-N 0 3 271.408 3.378 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccnn1CC1CCC1 ZINC000926568269 638786256 /nfs/dbraw/zinc/78/62/56/638786256.db2.gz KRDIBKGFKVUXAT-ZDUSSCGKSA-N 0 3 274.412 3.274 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1c(C2CCC2)cnn1C ZINC000926709694 638802159 /nfs/dbraw/zinc/80/21/59/638802159.db2.gz DXJBJPAVBSLNHC-LBPRGKRZSA-N 0 3 274.412 3.106 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926866556 638819434 /nfs/dbraw/zinc/81/94/34/638819434.db2.gz XYQGYGPLLOXMKC-SMDDNHRTSA-N 0 3 280.799 3.029 20 30 CGEDHN C[C@@H](NC1([C@@H]2CCCCO2)CC1)c1ccc(C#N)c(F)c1 ZINC000927165131 638849402 /nfs/dbraw/zinc/84/94/02/638849402.db2.gz ZSFZUPCEKBIUGT-WBMJQRKESA-N 0 3 288.366 3.450 20 30 CGEDHN CN(CCCc1ccccc1)Cc1cncc(C#N)c1 ZINC000929261749 638913341 /nfs/dbraw/zinc/91/33/41/638913341.db2.gz BZBBIFMGLKIGQS-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CCC[C@H]3COCC[C@H]32)c1 ZINC000929825432 638954707 /nfs/dbraw/zinc/95/47/07/638954707.db2.gz LQMKEFSCLRNOGZ-GOEBONIOSA-N 0 3 290.794 3.213 20 30 CGEDHN CCCCC[C@H]1CCCN1Cc1cncc(C#N)c1 ZINC000929854113 638957529 /nfs/dbraw/zinc/95/75/29/638957529.db2.gz KSTVSHPAXPNDJE-INIZCTEOSA-N 0 3 257.381 3.498 20 30 CGEDHN N#Cc1cncc(CN2CCCC3(CCCC3)C2)c1 ZINC000930249023 638986097 /nfs/dbraw/zinc/98/60/97/638986097.db2.gz OKTPXZZVXDRECS-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN C#CC[C@@H](CCOC)Nc1ccnc2cc(OC)ccc21 ZINC000858857654 639030569 /nfs/dbraw/zinc/03/05/69/639030569.db2.gz XDLSDYMPWVEOSP-ZDUSSCGKSA-N 0 3 284.359 3.084 20 30 CGEDHN CC[C@H]1CN(CCCCC2(C#N)CCC2)[C@H](C)CO1 ZINC000930851902 639076199 /nfs/dbraw/zinc/07/61/99/639076199.db2.gz KQYMJTYUFUVHBQ-CABCVRRESA-N 0 3 264.413 3.350 20 30 CGEDHN C[C@H]1CN(CC2CCC(C#N)CC2)C[C@@](C)(C(F)F)O1 ZINC000931079378 639108476 /nfs/dbraw/zinc/10/84/76/639108476.db2.gz JPRVNVQWBBKZSK-CLTVBZQCSA-N 0 3 286.366 3.061 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000931288535 639130550 /nfs/dbraw/zinc/13/05/50/639130550.db2.gz MYGZCCCUHBRTKI-ZFWWWQNUSA-N 0 3 287.407 3.019 20 30 CGEDHN C#CCN(Cc1cnc2c(cnn2C(C)C)c1)C(C)(C)C ZINC000932464665 639338062 /nfs/dbraw/zinc/33/80/62/639338062.db2.gz RVLHVVKIICLZKJ-UHFFFAOYSA-N 0 3 284.407 3.246 20 30 CGEDHN CC[C@H](NCCCC#N)c1cc(F)ccc1OC ZINC000932467317 639338346 /nfs/dbraw/zinc/33/83/46/639338346.db2.gz AXGXZRCUOZVTTE-ZDUSSCGKSA-N 0 3 250.317 3.179 20 30 CGEDHN Cc1nc(C)c(CN2CCC(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000933605997 639468412 /nfs/dbraw/zinc/46/84/12/639468412.db2.gz DFNABDJMLYJOAZ-UHFFFAOYSA-N 0 3 294.402 3.278 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cnn(CC2CCC2)c1 ZINC000934558545 639631684 /nfs/dbraw/zinc/63/16/84/639631684.db2.gz DSVCNMIIUKEJLD-BJJXKVORSA-N 0 3 272.396 3.026 20 30 CGEDHN CC[C@H]1CN(Cc2ccc(O[C@H](C)C#N)cc2)CCS1 ZINC000245735911 640634997 /nfs/dbraw/zinc/63/49/97/640634997.db2.gz KSRJUPBUXZSMQE-CJNGLKHVSA-N 0 3 290.432 3.305 20 30 CGEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)CC2 ZINC000092836365 640747023 /nfs/dbraw/zinc/74/70/23/640747023.db2.gz GZOIGJFWRPPJGB-SFHVURJKSA-N 0 3 278.355 3.344 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007831546 640944920 /nfs/dbraw/zinc/94/49/20/640944920.db2.gz HULRZHYHBFPMAO-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001008765005 640955079 /nfs/dbraw/zinc/95/50/79/640955079.db2.gz DSCYLGJDNLLOKV-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCC(=O)NC[C@H](NCC=C(Cl)Cl)C(C)C ZINC001568446534 961574952 /nfs/dbraw/zinc/57/49/52/961574952.db2.gz XQJZJPXXSZPXSU-NSHDSACASA-N 0 3 293.238 3.002 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCCCC(C)C ZINC001155644659 805598897 /nfs/dbraw/zinc/59/88/97/805598897.db2.gz IECCAOIHWQAEGP-QGZVFWFLSA-N 0 3 294.483 3.443 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC001250757586 805772341 /nfs/dbraw/zinc/77/23/41/805772341.db2.gz FWLYLUILEQILSM-QGZVFWFLSA-N 0 3 289.419 3.224 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCC1(C)C ZINC001158337103 805940358 /nfs/dbraw/zinc/94/03/58/805940358.db2.gz YXPUOHUEUVBHAM-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN Cc1cnc(N(C2CCCC2)C2CCN(C)CC2)c(C#N)c1 ZINC001158484973 805959231 /nfs/dbraw/zinc/95/92/31/805959231.db2.gz FRMFVQKNXTWKOX-UHFFFAOYSA-N 0 3 298.434 3.105 20 30 CGEDHN C=C[C@](C)(O)CNCc1cccc(Cl)c1Cl ZINC001252572742 806072507 /nfs/dbraw/zinc/07/25/07/806072507.db2.gz UGKAWJQXGCGDAZ-LBPRGKRZSA-N 0 3 260.164 3.020 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)c1ccc(O)cc1 ZINC001252620260 806092584 /nfs/dbraw/zinc/09/25/84/806092584.db2.gz SJNPIBNBJHPXOO-RTBURBONSA-N 0 3 297.398 3.398 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C ZINC001252982954 806146935 /nfs/dbraw/zinc/14/69/35/806146935.db2.gz OGMAANGPFRPVJV-OKZBNKHCSA-N 0 3 296.499 3.266 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1CCN(CCCC)CC1 ZINC001253239581 806190240 /nfs/dbraw/zinc/19/02/40/806190240.db2.gz OBTXGTIFZXJYDT-GOSISDBHSA-N 0 3 296.499 3.292 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cccc(F)n1 ZINC001253249822 806195519 /nfs/dbraw/zinc/19/55/19/806195519.db2.gz PVSROECUBKISNM-HNNXBMFYSA-N 0 3 280.387 3.198 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cc(Cl)cc(Cl)n1 ZINC001160953140 806328176 /nfs/dbraw/zinc/32/81/76/806328176.db2.gz SQEOKMFAWRNMBB-NSHDSACASA-N 0 3 286.206 3.451 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(C(F)(F)F)c1 ZINC001254655529 806476334 /nfs/dbraw/zinc/47/63/34/806476334.db2.gz DOXFRAXQWQTOBV-ZWNOBZJWSA-N 0 3 293.292 3.359 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C(C)(CC)CC)CC1 ZINC001161909428 806481933 /nfs/dbraw/zinc/48/19/33/806481933.db2.gz ZQPMHZCQLZHAMQ-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C[C@H]1CCCCN1Cc1ccc(NC2(C#N)CCC2)nc1 ZINC001162310759 806552445 /nfs/dbraw/zinc/55/24/45/806552445.db2.gz QXZGOSQWCANGJR-AWEZNQCLSA-N 0 3 284.407 3.314 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001255154292 806554666 /nfs/dbraw/zinc/55/46/66/806554666.db2.gz GLHPCBJLMKDYQR-BZUAXINKSA-N 0 3 258.365 3.189 20 30 CGEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccccc2F)CC1 ZINC001255153018 806555381 /nfs/dbraw/zinc/55/53/81/806555381.db2.gz NSPPSVPCUYQJCO-HNNXBMFYSA-N 0 3 289.398 3.072 20 30 CGEDHN CC[C@@H](CC#N)NCC1(Cc2cccc(F)c2)CC1 ZINC001255162697 806560746 /nfs/dbraw/zinc/56/07/46/806560746.db2.gz XHBFTMCSMUQFDR-HNNXBMFYSA-N 0 3 260.356 3.430 20 30 CGEDHN CC[C@@H](CC#N)NC1([C@H]2CCOC(C)(C)C2)CC1 ZINC001255164841 806563572 /nfs/dbraw/zinc/56/35/72/806563572.db2.gz RPYUIOROYNADPG-STQMWFEESA-N 0 3 250.386 3.006 20 30 CGEDHN C=C(C)c1ccc(-n2c3ccccc3nc2[C@H](C)N)nc1 ZINC001162762530 806659736 /nfs/dbraw/zinc/65/97/36/806659736.db2.gz JFYUQWBLERKCCA-LBPRGKRZSA-N 0 3 278.359 3.473 20 30 CGEDHN Cc1cccc(-n2c3ccccc3nc2[C@H](C)N)c1C#N ZINC001162764961 806661276 /nfs/dbraw/zinc/66/12/76/806661276.db2.gz CAECXBHLUOWAKG-LBPRGKRZSA-N 0 3 276.343 3.225 20 30 CGEDHN C/C(=N\O)c1ccc(-n2c3ccccc3nc2[C@H](C)N)cc1 ZINC001162778358 806664520 /nfs/dbraw/zinc/66/45/20/806664520.db2.gz JSPOKZYHQSHKTL-GTQCHLIPSA-N 0 3 294.358 3.243 20 30 CGEDHN CC(C)CCOCCNC1CC(C#N)(c2ccccc2)C1 ZINC000086037820 798944335 /nfs/dbraw/zinc/94/43/35/798944335.db2.gz SLIFCQGKXXGFEP-UHFFFAOYSA-N 0 3 286.419 3.263 20 30 CGEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000176531952 799099452 /nfs/dbraw/zinc/09/94/52/799099452.db2.gz NQALZNZHJPBJIJ-OAHLLOKOSA-N 0 3 284.359 3.253 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc(OCC3CC3)cc2)C1 ZINC001255731626 806724307 /nfs/dbraw/zinc/72/43/07/806724307.db2.gz FMKPRJBZJCDPIY-SFHVURJKSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCC3CC3)cc2)C1 ZINC001255731625 806724864 /nfs/dbraw/zinc/72/48/64/806724864.db2.gz FMKPRJBZJCDPIY-GOSISDBHSA-N 0 3 287.403 3.252 20 30 CGEDHN C[C@@H]1CC[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000338951003 799278376 /nfs/dbraw/zinc/27/83/76/799278376.db2.gz BVXWVCXCTRGGDI-HIFRSBDPSA-N 0 3 287.382 3.008 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1cccc(N)c1 ZINC000340583676 799285882 /nfs/dbraw/zinc/28/58/82/799285882.db2.gz NIFSUKPXHNLDTQ-UHFFFAOYSA-N 0 3 252.361 3.457 20 30 CGEDHN C=C(C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000386885446 799440992 /nfs/dbraw/zinc/44/09/92/799440992.db2.gz MUAJIGRLUHTOEI-UHFFFAOYSA-N 0 3 254.717 3.304 20 30 CGEDHN C#C[C@@H](NCc1cc(Cl)c(OC)c(OC)c1)C(C)(C)C ZINC000702283340 799906501 /nfs/dbraw/zinc/90/65/01/799906501.db2.gz UTKLUAQCGIXLOT-CQSZACIVSA-N 0 3 295.810 3.495 20 30 CGEDHN C#C[C@H](NCc1c[nH]nc1-c1cccs1)C(C)(C)C ZINC000702290397 799907086 /nfs/dbraw/zinc/90/70/86/799907086.db2.gz MSILRQOLVRLDOH-ZDUSSCGKSA-N 0 3 273.405 3.276 20 30 CGEDHN C=C[C@H](CO)NCc1c(CCCC)oc2ccccc21 ZINC000717569489 800204264 /nfs/dbraw/zinc/20/42/64/800204264.db2.gz CKRLJAKCYDJNTP-CYBMUJFWSA-N 0 3 273.376 3.412 20 30 CGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1sccc1F ZINC001024426684 800728357 /nfs/dbraw/zinc/72/83/57/800728357.db2.gz CRJDBAQPOPZJQO-LBPRGKRZSA-N 0 3 296.411 3.048 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC001028298282 800839582 /nfs/dbraw/zinc/83/95/82/800839582.db2.gz RHITYNKJGQVVMU-INIZCTEOSA-N 0 3 294.398 3.220 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001028290502 800841152 /nfs/dbraw/zinc/84/11/52/800841152.db2.gz UAZCJIIYEWJPMC-INIZCTEOSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](C)CC)CC1 ZINC001032605702 800932360 /nfs/dbraw/zinc/93/23/60/800932360.db2.gz GPEPQQVJORFNHA-COXVUDFISA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888229 800943869 /nfs/dbraw/zinc/94/38/69/800943869.db2.gz KNFHAQNTXBWNGO-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=Cc1ccc(C(=O)N(C)[C@H]2CCN(CC(=C)C)C2)cc1 ZINC001033443570 800963787 /nfs/dbraw/zinc/96/37/87/800963787.db2.gz PXTZVTDLBMTRJE-KRWDZBQOSA-N 0 3 284.403 3.052 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033606309 800969927 /nfs/dbraw/zinc/96/99/27/800969927.db2.gz LFFQTJURWHMKEI-OAHLLOKOSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033616984 800972272 /nfs/dbraw/zinc/97/22/72/800972272.db2.gz LLPVTIJVQSXHCM-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2coc3ccccc23)C1 ZINC001033712256 800976736 /nfs/dbraw/zinc/97/67/36/800976736.db2.gz YZRMSHQABKRJJM-CQSZACIVSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033768480 800981783 /nfs/dbraw/zinc/98/17/83/800981783.db2.gz GORFXOLTMWXIKN-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C=C(CC)CC)CC1 ZINC001164037633 806878504 /nfs/dbraw/zinc/87/85/04/806878504.db2.gz ZAMKMDMGRCQTMX-UHFFFAOYSA-N 0 3 298.858 3.361 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034481670 801027777 /nfs/dbraw/zinc/02/77/77/801027777.db2.gz WEBJSLNJICYCDG-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034481673 801028512 /nfs/dbraw/zinc/02/85/12/801028512.db2.gz WEBJSLNJICYCDG-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cscc1Cl ZINC001038379865 801125210 /nfs/dbraw/zinc/12/52/10/801125210.db2.gz MFNGQRODSXRNFX-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cscc2Cl)C1 ZINC001046403932 801309726 /nfs/dbraw/zinc/30/97/26/801309726.db2.gz STYVAWWVXSJOOJ-AWEZNQCLSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc(Cl)c2)C1 ZINC001046791864 801325455 /nfs/dbraw/zinc/32/54/55/801325455.db2.gz OGUUVCCXXIQLEY-INIZCTEOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2coc3ccccc23)C1 ZINC001046876951 801332010 /nfs/dbraw/zinc/33/20/10/801332010.db2.gz MAPPDXSOUGQWMX-SFHVURJKSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCCC1 ZINC001049412843 801371265 /nfs/dbraw/zinc/37/12/65/801371265.db2.gz QDBBBQXRYCNEEJ-DLBZAZTESA-N 0 3 288.435 3.128 20 30 CGEDHN C[C@@H]1C[C@H](NC2=CC(=O)CCC2)CCN1Cc1ccccc1 ZINC001256524001 806909587 /nfs/dbraw/zinc/90/95/87/806909587.db2.gz RUUUQVNLTPLLDU-CRAIPNDOSA-N 0 3 298.430 3.266 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CC3(C)C)cc2C1 ZINC001054261375 801484667 /nfs/dbraw/zinc/48/46/67/801484667.db2.gz AEWJTXLVEKNGRN-KRWDZBQOSA-N 0 3 298.430 3.241 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001079729383 801647554 /nfs/dbraw/zinc/64/75/54/801647554.db2.gz DXJMLVDIUUVVDO-QKPAOTATSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001081014009 801655980 /nfs/dbraw/zinc/65/59/80/801655980.db2.gz NXLAHQCOIHXOOJ-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1C ZINC001085465373 801688443 /nfs/dbraw/zinc/68/84/43/801688443.db2.gz ALWKZXSCIZGSNX-INIZCTEOSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001085669231 801699102 /nfs/dbraw/zinc/69/91/02/801699102.db2.gz VNDWZMXLSPYFOO-IAGOWNOFSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085804365 801705406 /nfs/dbraw/zinc/70/54/06/801705406.db2.gz HQTKNHRTJNRDFK-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001085937051 801712534 /nfs/dbraw/zinc/71/25/34/801712534.db2.gz UJJLBKVGMIIUKE-ULQDDVLXSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@@H](CC#N)NC1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256663582 806943670 /nfs/dbraw/zinc/94/36/70/806943670.db2.gz QQVDMHYZLAKONA-HSBZDZAISA-N 0 3 295.427 3.056 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC ZINC001098916784 801920188 /nfs/dbraw/zinc/92/01/88/801920188.db2.gz UFJMXVHPSXCUMG-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001098977066 801924917 /nfs/dbraw/zinc/92/49/17/801924917.db2.gz ZYAFGYHPJXHKPQ-BOLDSZDNSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)CC ZINC001099038278 801926456 /nfs/dbraw/zinc/92/64/56/801926456.db2.gz DXTFMERGEXSRRO-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099257331 801933897 /nfs/dbraw/zinc/93/38/97/801933897.db2.gz DITFGWOTHSHZCJ-JKSUJKDBSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CCC)C2 ZINC001109662515 802122379 /nfs/dbraw/zinc/12/23/79/802122379.db2.gz RTNDDCZMBCYXDG-ILXRZTDVSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCC)C2 ZINC001111347032 802158883 /nfs/dbraw/zinc/15/88/83/802158883.db2.gz HEBZBJUMTFBZRU-OAGGEKHMSA-N 0 3 278.440 3.254 20 30 CGEDHN C=C(C)CCC(=O)N1CCN(CC2CCC(C)CC2)CC1 ZINC001112901590 802196155 /nfs/dbraw/zinc/19/61/55/802196155.db2.gz VLMNRIJEOITMON-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN CC(C)N1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1C ZINC001165199742 806974326 /nfs/dbraw/zinc/97/43/26/806974326.db2.gz KGCFAMXRBFEQAC-CQSZACIVSA-N 0 3 294.402 3.025 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@H](C=C)CC)CC1 ZINC001266388456 808254710 /nfs/dbraw/zinc/25/47/10/808254710.db2.gz DZXVBHDBPDMOOU-INIZCTEOSA-N 0 3 292.467 3.478 20 30 CGEDHN CC(C)OCC[C@@H](C)N(CCC#N)C1CCCC1 ZINC001172448872 808321614 /nfs/dbraw/zinc/32/16/14/808321614.db2.gz DCEJEYLAYMAOSU-CQSZACIVSA-N 0 3 252.402 3.348 20 30 CGEDHN CCCCCCCC[C@H](CC)n1nncc1CN ZINC001172501606 808357239 /nfs/dbraw/zinc/35/72/39/808357239.db2.gz DHKVPNMQVMHAAO-ZDUSSCGKSA-N 0 3 252.406 3.439 20 30 CGEDHN Cc1cnccc1Nc1cc(Br)ccc1C#N ZINC001174537314 809067894 /nfs/dbraw/zinc/06/78/94/809067894.db2.gz BLIHCOXLSBTYRX-UHFFFAOYSA-N 0 3 288.148 3.190 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cnc3c(F)cccc3c2)C1 ZINC001119300696 802644699 /nfs/dbraw/zinc/64/46/99/802644699.db2.gz DFLOWMPAXFENHM-HNNXBMFYSA-N 0 3 286.350 3.151 20 30 CGEDHN C(=NNC1CCSCC1)c1ccc(N2CCCC2)cc1 ZINC001119358612 802654300 /nfs/dbraw/zinc/65/43/00/802654300.db2.gz CBZHZICBLMQWAC-UHFFFAOYSA-N 0 3 289.448 3.106 20 30 CGEDHN Cc1c([C@H](C)NCc2c(C)cc(C#N)cc2C)cnn1C ZINC001119732865 802695933 /nfs/dbraw/zinc/69/59/33/802695933.db2.gz QLOUCPYTLJCMHS-ZDUSSCGKSA-N 0 3 282.391 3.068 20 30 CGEDHN CCCCCCCNC(=O)c1cc2c(s1)CNCC2 ZINC001122161471 802862588 /nfs/dbraw/zinc/86/25/88/802862588.db2.gz JJAHWZRVKBNHNG-UHFFFAOYSA-N 0 3 280.437 3.094 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCSc1ccccc1 ZINC001123336174 802930359 /nfs/dbraw/zinc/93/03/59/802930359.db2.gz CSNKOWMHZLUFEG-AWEZNQCLSA-N 0 3 299.399 3.262 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132244049 803385918 /nfs/dbraw/zinc/38/59/18/803385918.db2.gz FBYDRRUQCSDIAB-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001133382895 803472363 /nfs/dbraw/zinc/47/23/63/803472363.db2.gz CMSFBOLDJPABAZ-SUMWQHHRSA-N 0 3 292.398 3.195 20 30 CGEDHN N#CCC1CCN(Cc2ccc(N3CCCC3)o2)CC1 ZINC001137067645 803678271 /nfs/dbraw/zinc/67/82/71/803678271.db2.gz CHUOMBXPPTVGBF-UHFFFAOYSA-N 0 3 273.380 3.005 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137187261 803695053 /nfs/dbraw/zinc/69/50/53/803695053.db2.gz LVKQESLBQFAJBN-CYBMUJFWSA-N 0 3 281.359 3.066 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC001138629717 803986537 /nfs/dbraw/zinc/98/65/37/803986537.db2.gz GTEQNNNGMNIPEV-SFHVURJKSA-N 0 3 287.403 3.123 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC001138629717 803986544 /nfs/dbraw/zinc/98/65/44/803986544.db2.gz GTEQNNNGMNIPEV-SFHVURJKSA-N 0 3 287.403 3.123 20 30 CGEDHN C=C(C)COc1ccccc1CN(CC)CCOC ZINC001138663036 803998037 /nfs/dbraw/zinc/99/80/37/803998037.db2.gz LYZLFBKLXLCXAC-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@@H](OCC)C1 ZINC001138666543 803998621 /nfs/dbraw/zinc/99/86/21/803998621.db2.gz XBZZJCBEZULVRU-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN CCC(=O)Oc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC001138965728 804089647 /nfs/dbraw/zinc/08/96/47/804089647.db2.gz APVAFWNWZKIKBY-UHFFFAOYSA-N 0 3 286.375 3.128 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@](C)(CF)C1 ZINC001139028985 804112080 /nfs/dbraw/zinc/11/20/80/804112080.db2.gz LXRLIKUZCRNVFW-INIZCTEOSA-N 0 3 263.356 3.433 20 30 CGEDHN CCN(Cc1c[nH]c2c1cccc2C#N)Cc1cccnc1 ZINC001139703309 804260377 /nfs/dbraw/zinc/26/03/77/804260377.db2.gz NDMLCKLLCREAJR-UHFFFAOYSA-N 0 3 290.370 3.457 20 30 CGEDHN C=CCn1cc(CN2CCC3(CC[C@H](F)C3)CC2)cn1 ZINC001139772673 804280913 /nfs/dbraw/zinc/28/09/13/804280913.db2.gz OMWCVABIRJIKBE-HNNXBMFYSA-N 0 3 277.387 3.173 20 30 CGEDHN CN(C)c1ccc(CN(C)Cc2cc(F)cc(C#N)c2)cc1 ZINC001139878730 804307520 /nfs/dbraw/zinc/30/75/20/804307520.db2.gz VSJAZAIHQBEXTD-UHFFFAOYSA-N 0 3 297.377 3.395 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H]4OCCC[C@H]4C3)c2c1 ZINC001140112471 804381006 /nfs/dbraw/zinc/38/10/06/804381006.db2.gz VJZCPGOPAVHUEI-KSSFIOAISA-N 0 3 295.386 3.040 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)C2CCC2)CC1 ZINC001165711277 807015571 /nfs/dbraw/zinc/01/55/71/807015571.db2.gz LPAYVEFOMXBQBD-ZDUSSCGKSA-N 0 3 298.858 3.051 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001141152832 804600136 /nfs/dbraw/zinc/60/01/36/804600136.db2.gz DYSCPKHYPYHKAN-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCCCN(C)Cc1ccc(COC(C)=O)o1 ZINC001141792020 804669838 /nfs/dbraw/zinc/66/98/38/804669838.db2.gz KBIIBCDPFNYAIV-UHFFFAOYSA-N 0 3 265.353 3.131 20 30 CGEDHN N#Cc1ccc(-c2noc([C@H]3CCCN3)n2)c2ccccc12 ZINC001247497313 804752179 /nfs/dbraw/zinc/75/21/79/804752179.db2.gz HYQUMJCAVKUYDK-OAHLLOKOSA-N 0 3 290.326 3.186 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001144567286 805006270 /nfs/dbraw/zinc/00/62/70/805006270.db2.gz HESJQRSMOOXGIU-CQSZACIVSA-N 0 3 267.294 3.237 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](Oc3ncccc3C)C2)cc1 ZINC001144581725 805010593 /nfs/dbraw/zinc/01/05/93/805010593.db2.gz ZSZCXBIAXFCJIO-GOSISDBHSA-N 0 3 292.382 3.025 20 30 CGEDHN N#CCC1CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429018 805146206 /nfs/dbraw/zinc/14/62/06/805146206.db2.gz JWIDFRXKYWOBML-UHFFFAOYSA-N 0 3 278.359 3.165 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)CCCCCC)C2)C1 ZINC001148477040 805186590 /nfs/dbraw/zinc/18/65/90/805186590.db2.gz FZUOTNAMXGPPJI-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN CCCCCCCNC(=S)NC1CCN(C2CC2)CC1 ZINC001249647577 805200804 /nfs/dbraw/zinc/20/08/04/805200804.db2.gz QNAIMWHJLMGMJZ-UHFFFAOYSA-N 0 3 297.512 3.048 20 30 CGEDHN N#Cc1ccc(C2CCC(n3cnc(CN)c3)CC2)cc1 ZINC001257009465 807025730 /nfs/dbraw/zinc/02/57/30/807025730.db2.gz LDJYCVCZTRKQAP-UHFFFAOYSA-N 0 3 280.375 3.112 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)C2CC2)CC1 ZINC001166770475 807094676 /nfs/dbraw/zinc/09/46/76/807094676.db2.gz ZDZJACFJGWQNQM-UHFFFAOYSA-N 0 3 298.858 3.051 20 30 CGEDHN COCC#CCN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC001167478065 807196381 /nfs/dbraw/zinc/19/63/81/807196381.db2.gz KREITHGHCFAMMV-AEFFLSMTSA-N 0 3 271.404 3.418 20 30 CGEDHN CCCCCCC[C@@H](C)NCc1cn(CCOC)cn1 ZINC001258040962 807270888 /nfs/dbraw/zinc/27/08/88/807270888.db2.gz KRIDFPUQSUOZNY-OAHLLOKOSA-N 0 3 281.444 3.368 20 30 CGEDHN C=CCN1CCN([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168179907 807337410 /nfs/dbraw/zinc/33/74/10/807337410.db2.gz OBUGQYCISDSKMV-CQSZACIVSA-N 0 3 278.827 3.075 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001168307502 807376749 /nfs/dbraw/zinc/37/67/49/807376749.db2.gz CPMFOCOXZJYLMZ-DDTOSNHZSA-N 0 3 262.303 3.206 20 30 CGEDHN C#CC[C@@H](NCc1ccc2nonc2c1)c1ccccc1 ZINC001168724628 807497159 /nfs/dbraw/zinc/49/71/59/807497159.db2.gz YUZZEWOMKRSZRF-OAHLLOKOSA-N 0 3 277.327 3.077 20 30 CGEDHN C=CCN(CC=C)[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168863975 807532901 /nfs/dbraw/zinc/53/29/01/807532901.db2.gz LENKQHSFIPEPFX-KBPBESRZSA-N 0 3 280.412 3.058 20 30 CGEDHN CCCCC[C@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001258667560 807534631 /nfs/dbraw/zinc/53/46/31/807534631.db2.gz OMDFSRJJVCXTQN-KBPBESRZSA-N 0 3 272.433 3.245 20 30 CGEDHN CC(C)C[C@@H](Cc1ccccc1)N1CC[C@H](C#N)C1 ZINC001169084216 807569863 /nfs/dbraw/zinc/56/98/63/807569863.db2.gz HUHPCKKHJCAIQZ-SJORKVTESA-N 0 3 256.393 3.489 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001258736253 807582066 /nfs/dbraw/zinc/58/20/66/807582066.db2.gz PJDMJRDQPSLCEZ-HZPDHXFCSA-N 0 3 286.419 3.188 20 30 CGEDHN C=CCCN(C)Cc1cccc2c1OC(F)(F)O2 ZINC001169342291 807628684 /nfs/dbraw/zinc/62/86/84/807628684.db2.gz KECVDCRIVYWOKL-UHFFFAOYSA-N 0 3 255.264 3.016 20 30 CGEDHN CC[C@H](Cc1ccccc1)NCc1ncc(C#N)s1 ZINC001258839773 807652859 /nfs/dbraw/zinc/65/28/59/807652859.db2.gz JUOSFMIAACCBRL-CYBMUJFWSA-N 0 3 271.389 3.126 20 30 CGEDHN C=CCC[C@H](NCc1cnc(C)o1)[C@@]1(C)CCCCO1 ZINC001262160301 807831060 /nfs/dbraw/zinc/83/10/60/807831060.db2.gz AQWMYUUJUALVQJ-JKSUJKDBSA-N 0 3 278.396 3.367 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC001263087055 807932246 /nfs/dbraw/zinc/93/22/46/807932246.db2.gz VTIOTZBFTXXVFE-CYBMUJFWSA-N 0 3 290.411 3.080 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)c(C)o1 ZINC001264739333 808090015 /nfs/dbraw/zinc/09/00/15/808090015.db2.gz WALFMTCQZXXXKG-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001265082932 808108626 /nfs/dbraw/zinc/10/86/26/808108626.db2.gz ISNLGRFNNLOOHY-UKRRQHHQSA-N 0 3 296.842 3.208 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001265312452 808130165 /nfs/dbraw/zinc/13/01/65/808130165.db2.gz NSNCBWODUAFNOX-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C=C)CC ZINC001265411500 808141211 /nfs/dbraw/zinc/14/12/11/808141211.db2.gz MMHDNIRPOCLFBE-ZACQAIPSSA-N 0 3 290.451 3.230 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC001171847813 808148941 /nfs/dbraw/zinc/14/89/41/808148941.db2.gz UCWYLAFUISFMOY-DZGCQCFKSA-N 0 3 279.424 3.395 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001172310610 808222859 /nfs/dbraw/zinc/22/28/59/808222859.db2.gz GVSBZGYATUZIPN-AWEZNQCLSA-N 0 3 292.382 3.253 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001172310610 808222861 /nfs/dbraw/zinc/22/28/61/808222861.db2.gz GVSBZGYATUZIPN-AWEZNQCLSA-N 0 3 292.382 3.253 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001172310611 808223327 /nfs/dbraw/zinc/22/33/27/808223327.db2.gz GVSBZGYATUZIPN-CQSZACIVSA-N 0 3 292.382 3.253 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001172310611 808223340 /nfs/dbraw/zinc/22/33/40/808223340.db2.gz GVSBZGYATUZIPN-CQSZACIVSA-N 0 3 292.382 3.253 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@@](C)(F)C1 ZINC001172314269 808224102 /nfs/dbraw/zinc/22/41/02/808224102.db2.gz IIIGKJGCCKYNBT-XJKSGUPXSA-N 0 3 260.356 3.313 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(CC[C@H](C)F)C1 ZINC001266222027 808230487 /nfs/dbraw/zinc/23/04/87/808230487.db2.gz MMWNLHKCHYHGTH-HOCLYGCPSA-N 0 3 296.430 3.084 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001266481312 808273978 /nfs/dbraw/zinc/27/39/78/808273978.db2.gz OGDAZKWUCMXGOT-HRCADAONSA-N 0 3 278.440 3.064 20 30 CGEDHN C[C@@H](CCCC#N)N[C@H](CO)c1cccc(Cl)c1F ZINC001172492291 808351272 /nfs/dbraw/zinc/35/12/72/808351272.db2.gz RQBJSDAXONFWOE-GXFFZTMASA-N 0 3 284.762 3.184 20 30 CGEDHN C[C@H](CCCC#N)NCc1cn(Cc2ccccc2)cn1 ZINC001172492108 808351898 /nfs/dbraw/zinc/35/18/98/808351898.db2.gz KOSDDEQRTAAUTG-OAHLLOKOSA-N 0 3 282.391 3.103 20 30 CGEDHN CCCCCCC[C@H](CCC)N1CCN(C(N)=O)CC1 ZINC001172511424 808365343 /nfs/dbraw/zinc/36/53/43/808365343.db2.gz QQTRXLLELWGMSU-HNNXBMFYSA-N 0 3 283.460 3.212 20 30 CGEDHN C=CCCC(=O)NCCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC001267238359 808392211 /nfs/dbraw/zinc/39/22/11/808392211.db2.gz LRKLZDWFCBXTBB-AWEZNQCLSA-N 0 3 292.398 3.291 20 30 CGEDHN N#C[C@H]1CCCN([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721410 808419579 /nfs/dbraw/zinc/41/95/79/808419579.db2.gz DXADOFDAVGACDR-BLLLJJGKSA-N 0 3 274.795 3.433 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)/C=C\C(C)(C)C)CCCC1 ZINC001267834248 808503882 /nfs/dbraw/zinc/50/38/82/808503882.db2.gz UBSJQHHWVQGYGU-YFHOEESVSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(C)CCC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001268045276 808532762 /nfs/dbraw/zinc/53/27/62/808532762.db2.gz XIOKBWGBDVNTJR-UHFFFAOYSA-N 0 3 290.451 3.233 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001268112303 808543913 /nfs/dbraw/zinc/54/39/13/808543913.db2.gz MSOADWBSPOFKMR-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCOC1CCC(N[C@@H](C(C)=O)c2ccccc2)CC1 ZINC001173313398 808607645 /nfs/dbraw/zinc/60/76/45/808607645.db2.gz VWKAIAQUFKFCSZ-ABHNRTSZSA-N 0 3 287.403 3.420 20 30 CGEDHN C=CCOC1CCC(NCc2ncccc2Cl)CC1 ZINC001173313924 808608114 /nfs/dbraw/zinc/60/81/14/808608114.db2.gz CAQSTHQHCXQUNW-UHFFFAOYSA-N 0 3 280.799 3.338 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001268740540 808620648 /nfs/dbraw/zinc/62/06/48/808620648.db2.gz ULWDTUGWYXSIRM-AWEZNQCLSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(-c2ccccc2)o1 ZINC001268747259 808621871 /nfs/dbraw/zinc/62/18/71/808621871.db2.gz WMQSCFMWAGZUIC-CQSZACIVSA-N 0 3 298.386 3.183 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001269134299 808650272 /nfs/dbraw/zinc/65/02/72/808650272.db2.gz KVEMVOGOUZLSFR-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1 ZINC001269333529 808671100 /nfs/dbraw/zinc/67/11/00/808671100.db2.gz XWNFQEASYSOODB-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCCC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001269383157 808676820 /nfs/dbraw/zinc/67/68/20/808676820.db2.gz CIQDTAJYFXHHAW-ZDUSSCGKSA-N 0 3 290.382 3.091 20 30 CGEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(CC)cc2)C1=O ZINC001272972894 808829502 /nfs/dbraw/zinc/82/95/02/808829502.db2.gz ZZEOBCSQTLBMIE-LJQANCHMSA-N 0 3 298.430 3.002 20 30 CGEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNC[C@H](F)CC ZINC001272994266 808830175 /nfs/dbraw/zinc/83/01/75/808830175.db2.gz XHFCXXABYYWWGR-HUUCEWRRSA-N 0 3 284.419 3.062 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](CCC)C(C)C)C(C)(C)C1 ZINC001274454591 808876385 /nfs/dbraw/zinc/87/63/85/808876385.db2.gz PCVPTRUEKASQJX-HZPDHXFCSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001275845977 808970911 /nfs/dbraw/zinc/97/09/11/808970911.db2.gz UMBQVABTPSKCKY-CQSZACIVSA-N 0 3 292.398 3.119 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001276003875 808982949 /nfs/dbraw/zinc/98/29/49/808982949.db2.gz VDFQPLSWXSVNEG-GFCCVEGCSA-N 0 3 294.464 3.282 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001276976385 809052081 /nfs/dbraw/zinc/05/20/81/809052081.db2.gz BQVBLFNRRDDBHP-UPTPFMHGSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)CCC ZINC001280315935 809184791 /nfs/dbraw/zinc/18/47/91/809184791.db2.gz UIRSSJLOOIKJAO-UHFFFAOYSA-N 0 3 274.408 3.111 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001280866224 809202732 /nfs/dbraw/zinc/20/27/32/809202732.db2.gz VRDNYMMQUNRUFW-MRXNPFEDSA-N 0 3 294.483 3.252 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001282504365 809253085 /nfs/dbraw/zinc/25/30/85/809253085.db2.gz OIYHIYOAYBYMOW-MWWKQMNYSA-N 0 3 286.419 3.021 20 30 CGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCCCCC(C)C)C1 ZINC001284015470 809292825 /nfs/dbraw/zinc/29/28/25/809292825.db2.gz SQGPEANZWASWPQ-IRXDYDNUSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CC[C@@H](C)C1)C(C)C ZINC001284544805 809308113 /nfs/dbraw/zinc/30/81/13/809308113.db2.gz PKKAXGXFDOMZPK-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](C)CCCC)CC1 ZINC001284711923 809315061 /nfs/dbraw/zinc/31/50/61/809315061.db2.gz FPKLLSGDPHJAJH-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN CN1CCC=C(Nc2cccc3c(C#N)cccc23)C1 ZINC001175580662 809461878 /nfs/dbraw/zinc/46/18/78/809461878.db2.gz PBQITQCAKWQZDA-UHFFFAOYSA-N 0 3 263.344 3.343 20 30 CGEDHN C#Cc1cccc(Nc2ccc3c(c2)CN(C)CC3)c1 ZINC001175979049 809590314 /nfs/dbraw/zinc/59/03/14/809590314.db2.gz ZZDFTMWJLLKIEV-UHFFFAOYSA-N 0 3 262.356 3.399 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCCC1(C)C ZINC001177193041 809786388 /nfs/dbraw/zinc/78/63/88/809786388.db2.gz YZEZPCQAISSZGF-CYBMUJFWSA-N 0 3 286.847 3.051 20 30 CGEDHN C#CCCCNCc1c(F)cc(Br)cc1F ZINC001178639804 809880999 /nfs/dbraw/zinc/88/09/99/809880999.db2.gz HJHRRCJMZNGUCY-UHFFFAOYSA-N 0 3 288.135 3.230 20 30 CGEDHN CC(C)C1(CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC001179845855 809951508 /nfs/dbraw/zinc/95/15/08/809951508.db2.gz YCLHXMHKCVHPQY-SFHVURJKSA-N 0 3 297.446 3.305 20 30 CGEDHN C=CCN(CC[C@H](O)C(C)C)Cc1ccc(OC)cc1 ZINC001190457448 810628312 /nfs/dbraw/zinc/62/83/12/810628312.db2.gz LZOWJOWFOYLFGB-KRWDZBQOSA-N 0 3 277.408 3.090 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001191889508 810753764 /nfs/dbraw/zinc/75/37/64/810753764.db2.gz HBBJQPDAASKZNC-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001191902057 810755427 /nfs/dbraw/zinc/75/54/27/810755427.db2.gz MAZHCBKJIZQWDB-CVEARBPZSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001192161362 810772483 /nfs/dbraw/zinc/77/24/83/810772483.db2.gz IMGFNRWGNZPXBU-NVXWUHKLSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193432071 810888776 /nfs/dbraw/zinc/88/87/76/810888776.db2.gz GSDMWCKGKLXFKZ-HUUCEWRRSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCOC(=O)NC1CCN(C2CC2)CC1 ZINC001194016416 811002109 /nfs/dbraw/zinc/00/21/09/811002109.db2.gz ZZCSQHARURZYJI-UHFFFAOYSA-N 0 3 282.428 3.310 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC001194166073 811026172 /nfs/dbraw/zinc/02/61/72/811026172.db2.gz WRBMNFRPKMESEZ-LJQANCHMSA-N 0 3 279.383 3.164 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001194335960 811053829 /nfs/dbraw/zinc/05/38/29/811053829.db2.gz DXUHHJITXHWGOE-QGZVFWFLSA-N 0 3 294.483 3.414 20 30 CGEDHN C=CCCCCCN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC001198242070 811486506 /nfs/dbraw/zinc/48/65/06/811486506.db2.gz QGVFHBZINXUBNW-JKSUJKDBSA-N 0 3 267.413 3.003 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001198603707 811523667 /nfs/dbraw/zinc/52/36/67/811523667.db2.gz BPZXSNFJZPSHLJ-OKILXGFUSA-N 0 3 260.768 3.444 20 30 CGEDHN COc1ccc([C@@H](C)N[C@H](C)CCC#N)c(OC)c1 ZINC001198697098 811535848 /nfs/dbraw/zinc/53/58/48/811535848.db2.gz ZNXMCHHPQKVQIJ-VXGBXAGGSA-N 0 3 262.353 3.047 20 30 CGEDHN CCCC[C@@H](CC)CN1CCC(C#N)(C(=O)OCC)CC1 ZINC001201567605 811907929 /nfs/dbraw/zinc/90/79/29/811907929.db2.gz FWPSTBPEMAOBRX-OAHLLOKOSA-N 0 3 294.439 3.372 20 30 CGEDHN CCCCCCCN1CCN(c2cc(OC)ccn2)CC1 ZINC001201798645 811966538 /nfs/dbraw/zinc/96/65/38/811966538.db2.gz YLZSVFHDUAIAEN-UHFFFAOYSA-N 0 3 291.439 3.183 20 30 CGEDHN CCCCCCCN1CCc2ncc(C(=O)OC)cc2C1 ZINC001201804798 811966612 /nfs/dbraw/zinc/96/66/12/811966612.db2.gz SMVISZREYGBZRG-UHFFFAOYSA-N 0 3 290.407 3.197 20 30 CGEDHN CSc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001204139045 812554320 /nfs/dbraw/zinc/55/43/20/812554320.db2.gz UPVZWMUQYYFDCR-CQSZACIVSA-N 0 3 291.441 3.183 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cn(C(C)=O)c3ccccc23)C1 ZINC001204409909 812630834 /nfs/dbraw/zinc/63/08/34/812630834.db2.gz JDEDSBKICPPEAO-OAHLLOKOSA-N 0 3 280.371 3.147 20 30 CGEDHN C#Cc1ccc(CN(C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC001205923723 813135273 /nfs/dbraw/zinc/13/52/73/813135273.db2.gz DODUNJCKKSISDF-GOSISDBHSA-N 0 3 299.801 3.487 20 30 CGEDHN C=C(C)CO[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001206750392 813420470 /nfs/dbraw/zinc/42/04/70/813420470.db2.gz HZTAVTSHZKHILA-GJZGRUSLSA-N 0 3 260.381 3.200 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1C ZINC001207145524 813495914 /nfs/dbraw/zinc/49/59/14/813495914.db2.gz KGBNPASOTBSCBR-TZMCWYRMSA-N 0 3 298.858 3.168 20 30 CGEDHN N#CC[C@@H]1CCCN(CCCc2ccccc2F)C1 ZINC001207494524 813576119 /nfs/dbraw/zinc/57/61/19/813576119.db2.gz XMOKEAPUIYOESX-AWEZNQCLSA-N 0 3 260.356 3.384 20 30 CGEDHN C#CCN(C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001207711676 813639062 /nfs/dbraw/zinc/63/90/62/813639062.db2.gz MCMMXIQJNJTMGL-UHFFFAOYSA-N 0 3 284.428 3.450 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@@H](NC(C)=O)C1 ZINC001208122884 813697696 /nfs/dbraw/zinc/69/76/96/813697696.db2.gz BBBPRYWMGAFHTQ-ZNFPLGDCSA-N 0 3 266.429 3.114 20 30 CGEDHN C[C@@H](CN1CC[C@@](CF)(C(F)(F)F)C1)C(F)(F)F ZINC001208896558 813887166 /nfs/dbraw/zinc/88/71/66/813887166.db2.gz WVCYQSGAEAKDQR-YUMQZZPRSA-N 0 3 281.215 3.409 20 30 CGEDHN C=CCCCN1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001209163252 813953505 /nfs/dbraw/zinc/95/35/05/813953505.db2.gz ZMKCILPEDCBPHV-UHFFFAOYSA-N 0 3 280.412 3.038 20 30 CGEDHN CC/C=C\CCCCCCN1CCN(CCC#N)CC1 ZINC001209286197 813993408 /nfs/dbraw/zinc/99/34/08/813993408.db2.gz UTTLAHGTMHERSC-ARJAWSKDSA-N 0 3 277.456 3.434 20 30 CGEDHN C=CCCCCCCN1CCN(Cc2ccccn2)CC1 ZINC001209436350 814037206 /nfs/dbraw/zinc/03/72/06/814037206.db2.gz UWYOZJDBWJFOFH-UHFFFAOYSA-N 0 3 287.451 3.336 20 30 CGEDHN C=CCCCCCCCCN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001209443535 814043055 /nfs/dbraw/zinc/04/30/55/814043055.db2.gz UWIDSXIMESPCEE-RCCFBDPRSA-N 0 3 295.467 3.375 20 30 CGEDHN C#CCN1CCN(CCCCCCCCC=C)CC1 ZINC001209445252 814045868 /nfs/dbraw/zinc/04/58/68/814045868.db2.gz IEHAVGRXISQSHV-UHFFFAOYSA-N 0 3 262.441 3.154 20 30 CGEDHN Cc1ccc2[nH]cc(CN3CCC(C#N)CC3)c2c1 ZINC001209489667 814059216 /nfs/dbraw/zinc/05/92/16/814059216.db2.gz LFVHORWJVMTNKK-UHFFFAOYSA-N 0 3 253.349 3.212 20 30 CGEDHN Cc1ccc2[nH]cc(CN3CCC4SC(=O)C=C4C3)c2c1 ZINC001209494540 814063565 /nfs/dbraw/zinc/06/35/65/814063565.db2.gz HTVBOYDFANCCSL-MRXNPFEDSA-N 0 3 298.411 3.250 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001210143461 814309129 /nfs/dbraw/zinc/30/91/29/814309129.db2.gz KLMMKWKVGSRIMY-HUUCEWRRSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001211389512 814888052 /nfs/dbraw/zinc/88/80/52/814888052.db2.gz UUCRAOHYECWIGA-BZUAXINKSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)OC[C@H]1COC(C)(C)N1 ZINC001217888905 815990628 /nfs/dbraw/zinc/99/06/28/815990628.db2.gz GZRZVTCOLFUJPS-KGLIPLIRSA-N 0 3 291.391 3.054 20 30 CGEDHN N#Cc1cccc(Cl)c1O[C@@H]1CNCc2ccccc21 ZINC001218488635 816243547 /nfs/dbraw/zinc/24/35/47/816243547.db2.gz KRBLOAHTMOMJAW-OAHLLOKOSA-N 0 3 284.746 3.435 20 30 CGEDHN N#Cc1cc(O[C@H]2CNCc3ccccc32)ccc1Cl ZINC001218491236 816245176 /nfs/dbraw/zinc/24/51/76/816245176.db2.gz UQIMEPXIXMUDSO-INIZCTEOSA-N 0 3 284.746 3.435 20 30 CGEDHN C#Cc1ccc(NC(=O)[C@@H](N)CCCCCC=C)cc1F ZINC001219384318 816270378 /nfs/dbraw/zinc/27/03/78/816270378.db2.gz NKSAYCHEHFTORX-INIZCTEOSA-N 0 3 288.366 3.209 20 30 CGEDHN C=CCCCC(=O)N1CC[C@H]2CCN(C[C@@H](F)CC)[C@H]2C1 ZINC001223401964 816622448 /nfs/dbraw/zinc/62/24/48/816622448.db2.gz UHAHFCUMFDVFMV-PMPSAXMXSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCCO[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224339171 816782083 /nfs/dbraw/zinc/78/20/83/816782083.db2.gz FRYONPVSQQXVOW-CABCVRRESA-N 0 3 260.381 3.200 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001231616439 818138313 /nfs/dbraw/zinc/13/83/13/818138313.db2.gz ARFUANHJAKGXHX-OCCSQVGLSA-N 0 3 292.329 3.044 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001231663171 818153327 /nfs/dbraw/zinc/15/33/27/818153327.db2.gz KVPLMVGJXBTWDJ-GOSISDBHSA-N 0 3 292.382 3.025 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)[nH]1)C1CCCCC1 ZINC001232078812 818247317 /nfs/dbraw/zinc/24/73/17/818247317.db2.gz HYDJMAGLHQSVRF-UHFFFAOYSA-N 0 3 276.380 3.122 20 30 CGEDHN CN(C)c1ccc(CN(CCC#N)C2CCCC2)c(O)c1 ZINC001232838323 818453478 /nfs/dbraw/zinc/45/34/78/818453478.db2.gz DWQVUOLALFLGAO-UHFFFAOYSA-N 0 3 287.407 3.116 20 30 CGEDHN N#Cc1cc[nH]c1CN1CCC[C@H]1C1CCCCC1 ZINC001233047955 818510238 /nfs/dbraw/zinc/51/02/38/818510238.db2.gz RLKBYIQFVAKXBP-INIZCTEOSA-N 0 3 257.381 3.431 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001233491319 818626469 /nfs/dbraw/zinc/62/64/69/818626469.db2.gz WJKOSMSUFLSECE-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233673615 818676049 /nfs/dbraw/zinc/67/60/49/818676049.db2.gz GZFVGSJDZJSJTQ-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C[NH+]1C(C)(C)CC(Oc2cc([O-])cc(C#N)c2)CC1(C)C ZINC001234144159 818791228 /nfs/dbraw/zinc/79/12/28/818791228.db2.gz JPIRHLDPAZJSJN-UHFFFAOYSA-N 0 3 288.391 3.294 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(CC=C)CC=C ZINC001234517821 818871510 /nfs/dbraw/zinc/87/15/10/818871510.db2.gz QBWAMWJTBJMVJF-QGZVFWFLSA-N 0 3 290.451 3.254 20 30 CGEDHN C#C[C@@H]1CCC[C@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234659968 818909490 /nfs/dbraw/zinc/90/94/90/818909490.db2.gz ASWGZJIRRXMTDX-VQIMIIECSA-N 0 3 298.430 3.009 20 30 CGEDHN N#Cc1cc(-c2ccc3c(N)ccnc3c2)ccc1F ZINC001235895972 819205735 /nfs/dbraw/zinc/20/57/35/819205735.db2.gz WKUJILTXRZWQOS-UHFFFAOYSA-N 0 3 263.275 3.495 20 30 CGEDHN N#Cc1cnnc(-c2cccc(CN3CCCCC3)c2F)c1 ZINC001236004489 819268867 /nfs/dbraw/zinc/26/88/67/819268867.db2.gz JFMGHQCWUNYYSK-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN N#Cc1ncncc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236248689 819405236 /nfs/dbraw/zinc/40/52/36/819405236.db2.gz JPWYJSLHAXUOER-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN CCC[C@@H]1CCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237615795 819786435 /nfs/dbraw/zinc/78/64/35/819786435.db2.gz ZIBREZHXMKNFGF-MRXNPFEDSA-N 0 3 282.391 3.361 20 30 CGEDHN N#Cc1ccc2nc(CN3CCCCCCCC3)cn2c1 ZINC001237618454 819788845 /nfs/dbraw/zinc/78/88/45/819788845.db2.gz RDXCLYDYISTLMC-UHFFFAOYSA-N 0 3 282.391 3.362 20 30 CGEDHN C[C@]1(CO)CCCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238188615 819950867 /nfs/dbraw/zinc/95/08/67/819950867.db2.gz GLIFBNWUEYFVCQ-INIZCTEOSA-N 0 3 292.810 3.196 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@@]1(C)O ZINC001238189858 819951347 /nfs/dbraw/zinc/95/13/47/819951347.db2.gz YCEMTXQSBMLIBH-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1cc(CN2C[C@@H]3CCC[C@H]3C2)ccc1Cl ZINC001238195862 819952676 /nfs/dbraw/zinc/95/26/76/819952676.db2.gz IZBLHNTZXSXJJY-STQMWFEESA-N 0 3 260.768 3.444 20 30 CGEDHN CN(C)CCOc1ccccc1C1=CC(=O)CC(C)(C)C1 ZINC001242316860 822950270 /nfs/dbraw/zinc/95/02/70/822950270.db2.gz UOYLMKQDHQRQAG-UHFFFAOYSA-N 0 3 287.403 3.400 20 30 CGEDHN Cc1cc(F)ccc1C[C@H](C)NC[C@@H](C#N)CCC#N ZINC001335458914 936146853 /nfs/dbraw/zinc/14/68/53/936146853.db2.gz DJUDVXDAPNBHHX-UONOGXRCSA-N 0 3 273.355 3.098 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC001339996769 936394162 /nfs/dbraw/zinc/39/41/62/936394162.db2.gz UTFSVGQDVLWHAT-MSOLQXFVSA-N 0 3 298.430 3.349 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1CC ZINC001340695797 936411607 /nfs/dbraw/zinc/41/16/07/936411607.db2.gz MRKVIEMLBIRNEV-IRXDYDNUSA-N 0 3 286.419 3.206 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCc2ccccc2[C@H]1CC ZINC001340695795 936411892 /nfs/dbraw/zinc/41/18/92/936411892.db2.gz MRKVIEMLBIRNEV-DLBZAZTESA-N 0 3 286.419 3.206 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1cscn1 ZINC001341672653 936446919 /nfs/dbraw/zinc/44/69/19/936446919.db2.gz KTDZKKLXUUZRHN-AWEZNQCLSA-N 0 3 297.468 3.179 20 30 CGEDHN N#CC(C(=O)c1cnc2ccsc2c1)c1cccc(F)n1 ZINC001342559388 936469688 /nfs/dbraw/zinc/46/96/88/936469688.db2.gz UNNHEZSTCNFRDU-SNVBAGLBSA-N 0 3 297.314 3.320 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC001344322712 936529425 /nfs/dbraw/zinc/52/94/25/936529425.db2.gz WGBCIYMODHTJCE-CYBMUJFWSA-N 0 3 273.380 3.296 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001344321925 936529668 /nfs/dbraw/zinc/52/96/68/936529668.db2.gz DRUFENTXXKGMEE-YFKTTZPYSA-N 0 3 291.782 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1cc(C)cc(C)c1 ZINC001344865126 936547305 /nfs/dbraw/zinc/54/73/05/936547305.db2.gz ZWPLRSBAPVSCDL-INIZCTEOSA-N 0 3 295.386 3.329 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC001349701384 936958218 /nfs/dbraw/zinc/95/82/18/936958218.db2.gz DRDXUMAGOPUBHV-YNEHKIRRSA-N 0 3 299.399 3.253 20 30 CGEDHN C=CCC[C@@H](NCc1cnc(C)o1)[C@H]1Cc2ccccc2O1 ZINC001349785516 936962203 /nfs/dbraw/zinc/96/22/03/936962203.db2.gz FEIRCRKLTTYPNZ-SJLPKXTDSA-N 0 3 298.386 3.411 20 30 CGEDHN C#CCN(CC1CC1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001354452138 937102867 /nfs/dbraw/zinc/10/28/67/937102867.db2.gz CMXSYSWKDVGJDZ-HOTGVXAUSA-N 0 3 275.342 3.381 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001480983807 926852106 /nfs/dbraw/zinc/85/21/06/926852106.db2.gz NIBZXWQRUUKRFX-UHFFFAOYSA-N 0 3 299.418 3.022 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001481675409 927053037 /nfs/dbraw/zinc/05/30/37/927053037.db2.gz MXIPRUMLDPVCCD-GJZGRUSLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001481692854 927061835 /nfs/dbraw/zinc/06/18/35/927061835.db2.gz ZXKQIZFMCSPOKG-FUHWJXTLSA-N 0 3 290.451 3.280 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001481747729 927079226 /nfs/dbraw/zinc/07/92/26/927079226.db2.gz RPKJPCWWWUUEKT-HOTGVXAUSA-N 0 3 292.467 3.005 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001356578148 937162066 /nfs/dbraw/zinc/16/20/66/937162066.db2.gz LJZBCXXEMMQLLI-MJBXVCDLSA-N 0 3 299.761 3.053 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001483212846 927442154 /nfs/dbraw/zinc/44/21/54/927442154.db2.gz FQRZIPCLUTYWQA-RYUDHWBXSA-N 0 3 296.361 3.086 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001483654011 927560824 /nfs/dbraw/zinc/56/08/24/927560824.db2.gz VGCXEJYVEUFYRY-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)CCCC[C@H](C)CC)C1 ZINC001484045308 927666648 /nfs/dbraw/zinc/66/66/48/927666648.db2.gz PUOZJAPMRPSILI-NVXWUHKLSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](CC)CCCCC)C1 ZINC001484070083 927668877 /nfs/dbraw/zinc/66/88/77/927668877.db2.gz BRHKHSNBLDFMFV-WBVHZDCISA-N 0 3 280.456 3.360 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@]1(C)CCN(CC=C(C)C)C1 ZINC001484055734 927669871 /nfs/dbraw/zinc/66/98/71/927669871.db2.gz CXBBYQGVXKEJBH-NVXWUHKLSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC001485057798 927800539 /nfs/dbraw/zinc/80/05/39/927800539.db2.gz ZWQLDQZBVOSSHZ-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC(C)(C)CC)C1 ZINC001488831804 928304247 /nfs/dbraw/zinc/30/42/47/928304247.db2.gz XSGAHCVJNQIICN-JOCQHMNTSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H](C)CCC)CC1 ZINC001490612161 928378967 /nfs/dbraw/zinc/37/89/67/928378967.db2.gz BKTYHDGIGBYCHU-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001490619656 928379376 /nfs/dbraw/zinc/37/93/76/928379376.db2.gz JPVMYKDGKCXDON-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001490758558 928386835 /nfs/dbraw/zinc/38/68/35/928386835.db2.gz JJBXQWQWBCALKA-BOSPYUDASA-N 0 3 298.858 3.266 20 30 CGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC1 ZINC001490792902 928389359 /nfs/dbraw/zinc/38/93/59/928389359.db2.gz ODPLTYNRCZILOL-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN CCCCCCC[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001441959123 937340057 /nfs/dbraw/zinc/34/00/57/937340057.db2.gz OPOOBTYKBXIZCQ-JKSUJKDBSA-N 0 3 282.472 3.441 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1C(C)C ZINC001448870825 937376368 /nfs/dbraw/zinc/37/63/68/937376368.db2.gz CTUVJIYTIIHLCB-UHFFFAOYSA-N 0 3 288.435 3.390 20 30 CGEDHN C=C1CCC(C(=O)N2CCN(C(C)(C)CC)CC2)CC1 ZINC001452661111 937397017 /nfs/dbraw/zinc/39/70/17/937397017.db2.gz SNBOAYVTXLTGLQ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001453351611 937402321 /nfs/dbraw/zinc/40/23/21/937402321.db2.gz YWMDBDQSPZMZKT-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001455690544 937419948 /nfs/dbraw/zinc/41/99/48/937419948.db2.gz RVAWBMNCMGICMQ-HNNXBMFYSA-N 0 3 290.451 3.230 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(Oc2ccc(OC)cc2)CC1 ZINC001459313490 937485534 /nfs/dbraw/zinc/48/55/34/937485534.db2.gz YTUHSVZBRROEKM-OAHLLOKOSA-N 0 3 287.403 3.340 20 30 CGEDHN C=C(CC)CN1CCC[C@]1(CCC)C(=O)OCC ZINC001460041868 937510843 /nfs/dbraw/zinc/51/08/43/937510843.db2.gz WNUSBJAZRIAFJB-OAHLLOKOSA-N 0 3 253.386 3.150 20 30 CGEDHN C/C(=N\[O-])c1ccccc1OC1CCC([NH+](C)C)CC1 ZINC001229736912 932476544 /nfs/dbraw/zinc/47/65/44/932476544.db2.gz LDZTWMCMYRXWNS-SFQUDFHCSA-N 0 3 276.380 3.136 20 30 CGEDHN C=CCCCCCN(C)Cc1cc2c(cn1)OCCO2 ZINC001461963733 937609418 /nfs/dbraw/zinc/60/94/18/937609418.db2.gz WIPROCXYMKJGOC-UHFFFAOYSA-N 0 3 276.380 3.031 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230556982 932588498 /nfs/dbraw/zinc/58/84/98/932588498.db2.gz QMKZJJZYDBLVSG-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230923312 932642959 /nfs/dbraw/zinc/64/29/59/932642959.db2.gz BQKXNMAWWFNLLT-GJZGRUSLSA-N 0 3 298.496 3.017 20 30 CGEDHN Cc1cccnc1[C@H](N[C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC001254642825 932724209 /nfs/dbraw/zinc/72/42/09/932724209.db2.gz LDYFCKFADPTVLG-IVMMDQJWSA-N 0 3 255.365 3.123 20 30 CGEDHN CC(=NN[C@H]1CCCSC1)c1c(C)cc(N)cc1C ZINC001333220580 932755341 /nfs/dbraw/zinc/75/53/41/932755341.db2.gz NVFYRCYVRRVKMN-AWEZNQCLSA-N 0 3 277.437 3.095 20 30 CGEDHN C#CCCN1CCCC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001317177508 932783530 /nfs/dbraw/zinc/78/35/30/932783530.db2.gz UZOAQZFOJKQNKP-INIZCTEOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCC(=O)NC[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001317228778 932822112 /nfs/dbraw/zinc/82/21/12/932822112.db2.gz KDJGLZZASGFKMJ-NSHDSACASA-N 0 3 298.789 3.040 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)CC(C)C)[C@H]1CC ZINC001316739845 932878167 /nfs/dbraw/zinc/87/81/67/932878167.db2.gz VSAATAFRQKVQMP-OWCLPIDISA-N 0 3 280.456 3.214 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001317471795 932962726 /nfs/dbraw/zinc/96/27/26/932962726.db2.gz PIYXGQKRXYLKQW-OAHLLOKOSA-N 0 3 288.435 3.438 20 30 CGEDHN C=C1CCC(CNCc2cn(-c3ccccc3C)nn2)CC1 ZINC001308513405 933123437 /nfs/dbraw/zinc/12/34/37/933123437.db2.gz OOSWCMYLBIPTFW-UHFFFAOYSA-N 0 3 296.418 3.412 20 30 CGEDHN COc1ccc2c(c1)[C@H](N[C@@H](C)CC(C)(C)C#N)CCO2 ZINC001308662111 933152902 /nfs/dbraw/zinc/15/29/02/933152902.db2.gz BYDOHGFMVRFHDL-SWLSCSKDSA-N 0 3 288.391 3.437 20 30 CGEDHN C=CCN(CCOC)Cc1cc2ccccc2c(OC)c1 ZINC001308741056 933168473 /nfs/dbraw/zinc/16/84/73/933168473.db2.gz GBTIBOKDIGMDDV-UHFFFAOYSA-N 0 3 285.387 3.483 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001317042193 933517927 /nfs/dbraw/zinc/51/79/27/933517927.db2.gz IYLFSQONJVOOLX-CALCHBBNSA-N 0 3 288.435 3.128 20 30 CGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001317208843 933554183 /nfs/dbraw/zinc/55/41/83/933554183.db2.gz MCSFJLDVKLNMQX-HOTGVXAUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(CC)CCNC(=O)C[C@H](CC)C(C)(C)C ZINC001317488368 933603456 /nfs/dbraw/zinc/60/34/56/933603456.db2.gz GTBPVMLRNXDCLP-AWEZNQCLSA-N 0 3 268.445 3.073 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001318309560 933709295 /nfs/dbraw/zinc/70/92/95/933709295.db2.gz UUXHPAAMVRGGKW-FUHWJXTLSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@H](CCNCC(=C)Cl)C1 ZINC001318825670 933782934 /nfs/dbraw/zinc/78/29/34/933782934.db2.gz KYEMKLVKGGXVRX-OAHLLOKOSA-N 0 3 298.858 3.314 20 30 CGEDHN C#CCN(Cc1cccc(OC(F)F)c1)CC1CC1 ZINC001319731668 933922717 /nfs/dbraw/zinc/92/27/17/933922717.db2.gz YWEQJPTWQQGESM-UHFFFAOYSA-N 0 3 265.303 3.133 20 30 CGEDHN C=CCO[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001320160833 934011152 /nfs/dbraw/zinc/01/11/52/934011152.db2.gz RWTPYJCJGSDIRC-ZFWWWQNUSA-N 0 3 290.363 3.241 20 30 CGEDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC#N)c2)c([O-])c1 ZINC001320252265 934021182 /nfs/dbraw/zinc/02/11/82/934021182.db2.gz BXUPZZKRUMBNCI-CQSZACIVSA-N 0 3 296.370 3.454 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC001320304262 934027068 /nfs/dbraw/zinc/02/70/68/934027068.db2.gz WKSOVDQTCRFLSJ-ZFWWWQNUSA-N 0 3 293.407 3.336 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(C2CCC2)CCC1 ZINC001320502570 934058046 /nfs/dbraw/zinc/05/80/46/934058046.db2.gz JXRKLVQITHEJBS-CYBMUJFWSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001323439275 934398534 /nfs/dbraw/zinc/39/85/34/934398534.db2.gz YDTSWDCWNADVAW-NOZJJQNGSA-N 0 3 257.736 3.067 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1cc(C)c(OC)cc1C ZINC001324021112 934449892 /nfs/dbraw/zinc/44/98/92/934449892.db2.gz FLMLFELLIQNDEV-ZIAGYGMSSA-N 0 3 263.381 3.164 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccn1C1CC1 ZINC001324379839 934496112 /nfs/dbraw/zinc/49/61/12/934496112.db2.gz YYWCMXKLPGMHPF-GOSISDBHSA-N 0 3 277.371 3.472 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CC[C@@H](C)c2ccsc21 ZINC001328091527 935116838 /nfs/dbraw/zinc/11/68/38/935116838.db2.gz OORPEBYGDQPDTF-WZRBSPASSA-N 0 3 251.395 3.477 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC001330806043 935323844 /nfs/dbraw/zinc/32/38/44/935323844.db2.gz PGGPOIZZORURID-MRXNPFEDSA-N 0 3 270.376 3.253 20 30 CGEDHN C#Cc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC001336641043 936202229 /nfs/dbraw/zinc/20/22/29/936202229.db2.gz CAXAJGZVNWJYHM-QGZVFWFLSA-N 0 3 282.387 3.013 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OCC=C)C2)c1 ZINC001337727475 936283898 /nfs/dbraw/zinc/28/38/98/936283898.db2.gz AMQXCDUHOHOZKV-KRWDZBQOSA-N 0 3 273.376 3.028 20 30 CGEDHN C#Cc1cccc(CNCC2=Cc3ccccc3OC2)c1 ZINC001474178516 937843105 /nfs/dbraw/zinc/84/31/05/937843105.db2.gz IJDGNBXBYNKIRM-UHFFFAOYSA-N 0 3 275.351 3.234 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(C2CCC2)CCC1 ZINC001479233855 937917759 /nfs/dbraw/zinc/91/77/59/937917759.db2.gz KUXPXCOBAGNKBD-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)C1CCCC1 ZINC001479738862 937924595 /nfs/dbraw/zinc/92/45/95/937924595.db2.gz LHVMEABNWRRHKT-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001480115155 937932697 /nfs/dbraw/zinc/93/26/97/937932697.db2.gz LLQJQUULDQEBNS-ZFWWWQNUSA-N 0 3 292.448 3.041 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001480728594 937942818 /nfs/dbraw/zinc/94/28/18/937942818.db2.gz TVZRJFLGNBIQOO-SJORKVTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CCC)[C@H]1CCN(CC(=C)C)C1 ZINC001493963439 937952578 /nfs/dbraw/zinc/95/25/78/937952578.db2.gz XGTGSBNYUGUHMR-IRXDYDNUSA-N 0 3 292.467 3.478 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC/C=C\CC)C2)C1 ZINC001494324849 937954215 /nfs/dbraw/zinc/95/42/15/937954215.db2.gz RRQGMZLAFQXKAK-KJPDOMRESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1cc(C)ccc1F ZINC001496019078 937961071 /nfs/dbraw/zinc/96/10/71/937961071.db2.gz XSTBMPVMRIFYSD-CQSZACIVSA-N 0 3 292.398 3.037 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001498955162 937971456 /nfs/dbraw/zinc/97/14/56/937971456.db2.gz LHMSBHFCCXVANL-MWDXBVQZSA-N 0 3 292.467 3.193 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001499102209 937972559 /nfs/dbraw/zinc/97/25/59/937972559.db2.gz OWZQPLGSLQPWEM-ULQDDVLXSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC(C)(C)C)cc1 ZINC001501673622 937980204 /nfs/dbraw/zinc/98/02/04/937980204.db2.gz RMUQZBSTPRZRIE-CQSZACIVSA-N 0 3 286.419 3.023 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)c1cccc(F)n1 ZINC001516783787 938009769 /nfs/dbraw/zinc/00/97/69/938009769.db2.gz XVYOMZSRELOTJX-UWVGGRQHSA-N 0 3 282.265 3.222 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC001517047029 938010923 /nfs/dbraw/zinc/01/09/23/938010923.db2.gz ROOJBCIZQGHRAG-MMVSWEMESA-N 0 3 291.782 3.076 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCCCCSC ZINC001520036333 938022586 /nfs/dbraw/zinc/02/25/86/938022586.db2.gz LWLSFRGPAUHMEG-ZDUSSCGKSA-N 0 3 293.436 3.393 20 30 CGEDHN CC[C@H](CC(F)F)C(=O)C(C#N)c1ncc(F)cc1F ZINC001520447865 938025902 /nfs/dbraw/zinc/02/59/02/938025902.db2.gz CIAGSVTUKBOAMF-VXNVDRBHSA-N 0 3 288.244 3.217 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCCCC(C)(C)C ZINC001524268571 938043199 /nfs/dbraw/zinc/04/31/99/938043199.db2.gz WUVOGXPHAQUDJD-LBPRGKRZSA-N 0 3 261.369 3.203 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001524268910 938043400 /nfs/dbraw/zinc/04/34/00/938043400.db2.gz YHAQURNZAOHTFB-GNFNDJEDSA-N 0 3 297.402 3.203 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)CN(C)CC(C)(C)C ZINC001557867639 938212289 /nfs/dbraw/zinc/21/22/89/938212289.db2.gz MAHWDTXAVBHVBZ-UHFFFAOYSA-N 0 3 268.445 3.073 20 30 CGEDHN C=CCN(C)Cc1cccc(Oc2ccccn2)c1 ZINC001560773432 938275064 /nfs/dbraw/zinc/27/50/64/938275064.db2.gz ZTRPKPVMDNQAGT-UHFFFAOYSA-N 0 3 254.333 3.492 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC(C)C ZINC001566756065 961009284 /nfs/dbraw/zinc/00/92/84/961009284.db2.gz BNTLFLQPVNGXLM-YESZJQIVSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCCCC ZINC001567861752 961448157 /nfs/dbraw/zinc/44/81/57/961448157.db2.gz ANWQYEMWPXGUIJ-ULQDDVLXSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCCC(=O)N(C)CCN(C)Cc1ccc(C)c(C)c1 ZINC001568476083 961596090 /nfs/dbraw/zinc/59/60/90/961596090.db2.gz OQBUEBBPXSPNLQ-UHFFFAOYSA-N 0 3 288.435 3.160 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC(C)C ZINC001569448941 961766945 /nfs/dbraw/zinc/76/69/45/961766945.db2.gz NQFOGDGDVUKZEO-BBWFWOEESA-N 0 3 292.467 3.310 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC ZINC001569461949 961769014 /nfs/dbraw/zinc/76/90/14/961769014.db2.gz PBIFFFMHZROEAS-OAGGEKHMSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001569459690 961770252 /nfs/dbraw/zinc/77/02/52/961770252.db2.gz OLEQXJQHADIPNU-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001569651605 961810453 /nfs/dbraw/zinc/81/04/53/961810453.db2.gz SWKSPVMVHXYMOI-QAPCUYQASA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C(C)(C)CC ZINC001570028488 961881441 /nfs/dbraw/zinc/88/14/41/961881441.db2.gz WZFBLQAIIIFXOK-UHFFFAOYSA-N 0 3 288.435 3.357 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@H]1C ZINC001570449691 961967721 /nfs/dbraw/zinc/96/77/21/961967721.db2.gz TVRCDUWEQGVPCT-CABCVRRESA-N 0 3 292.467 3.051 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC001574901578 962328638 /nfs/dbraw/zinc/32/86/38/962328638.db2.gz MPWJFOCUKQTGCW-YOEHRIQHSA-N 0 3 299.418 3.151 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@H]1CCC ZINC001574908091 962332025 /nfs/dbraw/zinc/33/20/25/962332025.db2.gz CUCYWYMOAHMBNK-PMPSAXMXSA-N 0 3 280.456 3.393 20 30 CGEDHN CSc1ccc(CNCc2cccc(N)c2)cc1C#N ZINC001579387930 962617178 /nfs/dbraw/zinc/61/71/78/962617178.db2.gz JOZUTQJKWLSNGT-UHFFFAOYSA-N 0 3 283.400 3.152 20 30 CGEDHN CCCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001587874683 963230886 /nfs/dbraw/zinc/23/08/86/963230886.db2.gz IUSDSECHEYCQII-MRXNPFEDSA-N 0 3 286.435 3.286 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCCC(C)(C)CC1 ZINC000124650799 187147323 /nfs/dbraw/zinc/14/73/23/187147323.db2.gz XLUYADCQVBOADQ-CQSZACIVSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2nnc[n-]2)c2ccccc2)C1 ZINC000651761181 398284244 /nfs/dbraw/zinc/28/42/44/398284244.db2.gz HWESSCDVJVJTSX-FVQBIDKESA-N 0 3 282.391 3.229 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000651761181 398284245 /nfs/dbraw/zinc/28/42/45/398284245.db2.gz HWESSCDVJVJTSX-FVQBIDKESA-N 0 3 282.391 3.229 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cn3cccc(C)c3n2)C1 ZINC000651752589 398282518 /nfs/dbraw/zinc/28/25/18/398282518.db2.gz LXFXIEHMHXZOKF-LSDHHAIUSA-N 0 3 269.392 3.477 20 30 CGEDHN C[C@H](N[C@@H](CO)CC1CCCC1)c1ccc(C#N)cc1F ZINC000338024161 214366655 /nfs/dbraw/zinc/36/66/55/214366655.db2.gz WNWOBKVTFCTPHU-SWLSCSKDSA-N 0 3 290.382 3.289 20 30 CGEDHN C=C[C@@H](C)N[C@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652159639 398326288 /nfs/dbraw/zinc/32/62/88/398326288.db2.gz CQHPFRVKQBLMSH-DGCLKSJQSA-N 0 3 279.380 3.328 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)C(C)(C)C ZINC000512659092 536644066 /nfs/dbraw/zinc/64/40/66/536644066.db2.gz CTTKGRRYDVJNRX-XHDPSFHLSA-N 0 3 278.371 3.409 20 30 CGEDHN N#CC1(CCN2CC[C@H](C(F)F)C2)CCCCC1 ZINC000591021379 346895335 /nfs/dbraw/zinc/89/53/35/346895335.db2.gz CSJUAYZTBLPHOT-LBPRGKRZSA-N 0 3 256.340 3.438 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCc2cccc(Cl)c2C1 ZINC000591260739 346913159 /nfs/dbraw/zinc/91/31/59/346913159.db2.gz TVXWXGKZLMVLQF-QWHCGFSZSA-N 0 3 262.784 3.479 20 30 CGEDHN Cc1ccccc1C[C@H]1CCCN1Cc1ccncc1C#N ZINC000592070002 346959054 /nfs/dbraw/zinc/95/90/54/346959054.db2.gz DUUDBLSNCRCCCM-LJQANCHMSA-N 0 3 291.398 3.469 20 30 CGEDHN CC(C)(CCc1ccccc1)NCc1ccncc1C#N ZINC000592067524 346959547 /nfs/dbraw/zinc/95/95/47/346959547.db2.gz YXGPDTJYSRCGHL-UHFFFAOYSA-N 0 3 279.387 3.454 20 30 CGEDHN CC(C)CCN(CCC#N)CCC[C@H]1CCOC1 ZINC000592072205 346959900 /nfs/dbraw/zinc/95/99/00/346959900.db2.gz ZOUPYSIPZHXTEK-HNNXBMFYSA-N 0 3 252.402 3.065 20 30 CGEDHN N#CC[C@]1(O)CCN(C(c2ccccc2)c2ccccc2)C1 ZINC000592146762 346966959 /nfs/dbraw/zinc/96/69/59/346966959.db2.gz KEWUNFOKOGJPBM-IBGZPJMESA-N 0 3 292.382 3.126 20 30 CGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(CO)c1 ZINC000592391436 346981413 /nfs/dbraw/zinc/98/14/13/346981413.db2.gz LMRRZWQOBJNHTO-AWEZNQCLSA-N 0 3 280.371 3.096 20 30 CGEDHN CC(C)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccncc1 ZINC000592391146 346981423 /nfs/dbraw/zinc/98/14/23/346981423.db2.gz XEEKSWIZHOSZIN-IMJJTQAJSA-N 0 3 257.381 3.451 20 30 CGEDHN CC[C@H](C)C[C@@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000592399336 346984769 /nfs/dbraw/zinc/98/47/69/346984769.db2.gz XIZLSFGUWPNDOR-HUBLWGQQSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@H](N[C@H]1CCS[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000592401502 346985493 /nfs/dbraw/zinc/98/54/93/346985493.db2.gz XYBAKJMJWWUIQY-BHDSKKPTSA-N 0 3 264.369 3.242 20 30 CGEDHN CC(C#N)C(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592900637 347020395 /nfs/dbraw/zinc/02/03/95/347020395.db2.gz HLBLOUWBICRTRW-DZGCQCFKSA-N 0 3 266.344 3.066 20 30 CGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2ccsc2)cc1 ZINC000127092293 187281744 /nfs/dbraw/zinc/28/17/44/187281744.db2.gz WPUBYUKYHUVFLE-IAGOWNOFSA-N 0 3 298.411 3.490 20 30 CGEDHN Cc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1C#N ZINC000593119353 347042330 /nfs/dbraw/zinc/04/23/30/347042330.db2.gz WILCEYZBZLJKLA-CQSZACIVSA-N 0 3 262.303 3.098 20 30 CGEDHN CC[C@H](C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000593403988 347071541 /nfs/dbraw/zinc/07/15/41/347071541.db2.gz QUDLLKFNPSJSGX-OAHLLOKOSA-N 0 3 285.391 3.161 20 30 CGEDHN C=CCN(CCC(=O)OC(C)(C)C)Cc1cccs1 ZINC000055058488 345142789 /nfs/dbraw/zinc/14/27/89/345142789.db2.gz FAXBXYPRCZCHKF-UHFFFAOYSA-N 0 3 281.421 3.468 20 30 CGEDHN Cc1ccccc1CNCCOc1ccc(C#N)cc1 ZINC000072978921 232173946 /nfs/dbraw/zinc/17/39/46/232173946.db2.gz CYADKEYSTSIUSH-UHFFFAOYSA-N 0 3 266.344 3.035 20 30 CGEDHN CC[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000068754758 345361303 /nfs/dbraw/zinc/36/13/03/345361303.db2.gz WZHCNWWXEPLNRY-INIZCTEOSA-N 0 3 251.333 3.194 20 30 CGEDHN Cc1cc(C)n(CCN(Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000068816320 345365187 /nfs/dbraw/zinc/36/51/87/345365187.db2.gz SUBWHFRABJJZEC-UHFFFAOYSA-N 0 3 296.418 3.282 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2scnc21 ZINC000623977116 349933972 /nfs/dbraw/zinc/93/39/72/349933972.db2.gz HLKMSYGIPOYKCN-ZOWXZIJZSA-N 0 3 278.421 3.091 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000091511011 345817831 /nfs/dbraw/zinc/81/78/31/345817831.db2.gz RDFSHAIHKYAEFM-CQSZACIVSA-N 0 3 291.439 3.154 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623996527 349940176 /nfs/dbraw/zinc/94/01/76/349940176.db2.gz JNYCQCKCYZGYLT-GOEBONIOSA-N 0 3 299.418 3.065 20 30 CGEDHN C=CCN1CCC(NC(=O)NCCCCC(C)(C)C)CC1 ZINC000171734725 346210085 /nfs/dbraw/zinc/21/00/85/346210085.db2.gz DDKHYQGQMYLUJK-UHFFFAOYSA-N 0 3 295.471 3.152 20 30 CGEDHN C=CCOc1ccc(CNCC(C)(C)OC)cc1Cl ZINC000174597943 346244206 /nfs/dbraw/zinc/24/42/06/346244206.db2.gz OATDNXLHCAYLHW-UHFFFAOYSA-N 0 3 283.799 3.419 20 30 CGEDHN Cn1c(CNCCCCC#N)nc2cc(Cl)ccc21 ZINC000178916916 346252477 /nfs/dbraw/zinc/25/24/77/346252477.db2.gz TZCDZWVJZGYBRB-UHFFFAOYSA-N 0 3 276.771 3.010 20 30 CGEDHN C[C@H](NCCOc1ccccc1)c1ccc(OCC#N)cc1 ZINC000194189440 346270788 /nfs/dbraw/zinc/27/07/88/346270788.db2.gz VESAYERTXZGHPI-HNNXBMFYSA-N 0 3 296.370 3.319 20 30 CGEDHN C=CC(C)(C)CCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000624037754 349952842 /nfs/dbraw/zinc/95/28/42/349952842.db2.gz GWHCYOKDMMYLIZ-CQSZACIVSA-N 0 3 295.448 3.041 20 30 CGEDHN C=CCN1CCC(NC(=O)CC/C=C\c2ccccc2)CC1 ZINC000255116475 346396362 /nfs/dbraw/zinc/39/63/62/346396362.db2.gz PELBDRKEFUZSRU-POHAHGRESA-N 0 3 298.430 3.247 20 30 CGEDHN CSC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000306013573 346450457 /nfs/dbraw/zinc/45/04/57/346450457.db2.gz RQVVTDSLZASTIH-UHFFFAOYSA-N 0 3 260.406 3.194 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000335999280 346497691 /nfs/dbraw/zinc/49/76/91/346497691.db2.gz NVDPMJCSUKAQDD-KBXCAEBGSA-N 0 3 290.366 3.320 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CC[C@H](C(C)C)[C@@H](C)C2)nn1 ZINC000424166791 346612659 /nfs/dbraw/zinc/61/26/59/346612659.db2.gz BHOKKPFHSAHNTI-SQWLQELKSA-N 0 3 276.428 3.015 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cc2c(s1)CCC2 ZINC000537953140 346650952 /nfs/dbraw/zinc/65/09/52/346650952.db2.gz HQRMBWXVHCXHDR-GFCCVEGCSA-N 0 3 265.422 3.480 20 30 CGEDHN C=CCOCCN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000550065579 346654825 /nfs/dbraw/zinc/65/48/25/346654825.db2.gz ABDQIPGVRUDPBS-DOMZBBRYSA-N 0 3 265.784 3.367 20 30 CGEDHN CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)C(C)C#N ZINC000504700573 346634610 /nfs/dbraw/zinc/63/46/10/346634610.db2.gz NXLPSMAPJPGLRP-KGLIPLIRSA-N 0 3 290.432 3.450 20 30 CGEDHN C=CCOc1cccc(CNCCOCC2CCC2)c1 ZINC000516696151 346638478 /nfs/dbraw/zinc/63/84/78/346638478.db2.gz GYDALASTWKXFLJ-UHFFFAOYSA-N 0 3 275.392 3.158 20 30 CGEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(CC#N)CC1 ZINC000584697298 346708216 /nfs/dbraw/zinc/70/82/16/346708216.db2.gz ZUFDYXYEYBSNMX-GFCCVEGCSA-N 0 3 273.336 3.248 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027152 347139659 /nfs/dbraw/zinc/13/96/59/347139659.db2.gz RQJGOTDKPDOCDY-QGZVFWFLSA-N 0 3 270.376 3.092 20 30 CGEDHN C[C@@H]1CN(CCCSCC#N)CC2(CCCCC2)O1 ZINC000594058929 347146941 /nfs/dbraw/zinc/14/69/41/347146941.db2.gz UWCWVDQDKSZETJ-CQSZACIVSA-N 0 3 282.453 3.057 20 30 CGEDHN C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CC2(CCCCC2)O1 ZINC000594057792 347147296 /nfs/dbraw/zinc/14/72/96/347147296.db2.gz MWUNCEHFLLZYHV-KFWWJZLASA-N 0 3 262.397 3.102 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCCC3)O2)s1 ZINC000594523056 347189921 /nfs/dbraw/zinc/18/99/21/347189921.db2.gz MOPVOWLDUKPSPE-GFCCVEGCSA-N 0 3 276.405 3.201 20 30 CGEDHN N#Cc1ccc2c(c1)CN(CC1Cc3ccccc3C1)C2 ZINC000594616077 347204898 /nfs/dbraw/zinc/20/48/98/347204898.db2.gz YZFZCIJPBZOVGP-UHFFFAOYSA-N 0 3 274.367 3.289 20 30 CGEDHN CCC1(CC)CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594438433 347174394 /nfs/dbraw/zinc/17/43/94/347174394.db2.gz VANFRYZIZOKVJB-OAHLLOKOSA-N 0 3 293.455 3.263 20 30 CGEDHN N#CC1(c2ccc(CNC3CC(F)(F)C3)cc2)CC1 ZINC000594939880 347236246 /nfs/dbraw/zinc/23/62/46/347236246.db2.gz ULBJCDZXQABBAJ-UHFFFAOYSA-N 0 3 262.303 3.129 20 30 CGEDHN CC[C@@H]1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000594950507 347238755 /nfs/dbraw/zinc/23/87/55/347238755.db2.gz NCQHDIRYLOSVFK-ZMSDIMECSA-N 0 3 270.376 3.093 20 30 CGEDHN C=CCCSCCNCc1cc(F)ccc1OC ZINC000594959757 347240889 /nfs/dbraw/zinc/24/08/89/347240889.db2.gz BZSBPIAWJFQJCN-UHFFFAOYSA-N 0 3 269.385 3.233 20 30 CGEDHN C=CCCSCCNCc1ccc(NC(C)=O)cc1 ZINC000594959970 347241341 /nfs/dbraw/zinc/24/13/41/347241341.db2.gz GYJOETYSOPEZOK-UHFFFAOYSA-N 0 3 278.421 3.044 20 30 CGEDHN C[C@@H](c1ccncc1)N(C)CCc1ccc(C#N)cc1 ZINC000595393320 347298623 /nfs/dbraw/zinc/29/86/23/347298623.db2.gz YGRCBKNSCYXKMC-AWEZNQCLSA-N 0 3 265.360 3.189 20 30 CGEDHN C=CCCSCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000595059820 347273817 /nfs/dbraw/zinc/27/38/17/347273817.db2.gz PJCZIMQZLLRPRV-AWEZNQCLSA-N 0 3 294.468 3.325 20 30 CGEDHN C=CCCSCCN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000595059820 347273819 /nfs/dbraw/zinc/27/38/19/347273819.db2.gz PJCZIMQZLLRPRV-AWEZNQCLSA-N 0 3 294.468 3.325 20 30 CGEDHN C[C@@H](COc1c(F)cccc1F)N[C@H]1CCC[C@H](C#N)C1 ZINC000595073375 347277373 /nfs/dbraw/zinc/27/73/73/347277373.db2.gz WRZXHTKWWAQIJR-AVGNSLFASA-N 0 3 294.345 3.404 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCCCC2)C1(C)C ZINC000595090483 347280445 /nfs/dbraw/zinc/28/04/45/347280445.db2.gz GFBIYSNDBNKDFY-UONOGXRCSA-N 0 3 264.413 3.254 20 30 CGEDHN N#CC1(CN[C@H]2CCc3cccnc3CC2)CCCCC1 ZINC000595091402 347281055 /nfs/dbraw/zinc/28/10/55/347281055.db2.gz QCUKMPKAJLMALM-INIZCTEOSA-N 0 3 283.419 3.393 20 30 CGEDHN C[C@@H](CSCCF)NCC1(C#N)CCCCC1 ZINC000595091926 347281255 /nfs/dbraw/zinc/28/12/55/347281255.db2.gz UTISDBVCLMRMEV-LBPRGKRZSA-N 0 3 258.406 3.141 20 30 CGEDHN CC(C)[C@H](O)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000595096268 347282643 /nfs/dbraw/zinc/28/26/43/347282643.db2.gz IQAANXAYDRPGOD-LLLHUVSDSA-N 0 3 272.392 3.026 20 30 CGEDHN CC[C@@H](C)N(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000595593659 347322885 /nfs/dbraw/zinc/32/28/85/347322885.db2.gz SFKXZMCVVSHIED-OAHLLOKOSA-N 0 3 287.407 3.054 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C(=O)OC)cs1 ZINC000595604529 347324709 /nfs/dbraw/zinc/32/47/09/347324709.db2.gz SEZFOOVKJNNWCV-NEPJUHHUSA-N 0 3 294.420 3.154 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000595660973 347335564 /nfs/dbraw/zinc/33/55/64/347335564.db2.gz UVAFAXJDUJJJRK-STQMWFEESA-N 0 3 277.364 3.415 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000595661054 347335672 /nfs/dbraw/zinc/33/56/72/347335672.db2.gz XAARDUGRZMWBMH-HUUCEWRRSA-N 0 3 297.402 3.173 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595786279 347356007 /nfs/dbraw/zinc/35/60/07/347356007.db2.gz HKKACBFWFNDTGD-MSOLQXFVSA-N 0 3 284.403 3.339 20 30 CGEDHN N#Cc1cc(CN2CCCC[C@@H]2CC2CCC2)ccn1 ZINC000595873381 347369019 /nfs/dbraw/zinc/36/90/19/347369019.db2.gz ZZQUSVLDQWFBCY-QGZVFWFLSA-N 0 3 269.392 3.498 20 30 CGEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000595867342 347369127 /nfs/dbraw/zinc/36/91/27/347369127.db2.gz LTPWZFUFMMSDLB-XJKSGUPXSA-N 0 3 285.391 3.150 20 30 CGEDHN CCN(CCOc1ccccc1OC)[C@H](C)CCC#N ZINC000595884431 347370040 /nfs/dbraw/zinc/37/00/40/347370040.db2.gz FNKCAHLUWZKTDR-CQSZACIVSA-N 0 3 276.380 3.088 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cnccc2C(F)(F)F)C1 ZINC000596117454 347385360 /nfs/dbraw/zinc/38/53/60/347385360.db2.gz GPKCLUWCGIIQQB-ZYHUDNBSSA-N 0 3 283.297 3.272 20 30 CGEDHN COc1ccc(-c2cccc(OCCN(C)C)c2)c(C#N)c1 ZINC000596639703 347495678 /nfs/dbraw/zinc/49/56/78/347495678.db2.gz SIEVKNHETXDUNI-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3cc(N)ccc31)CC2 ZINC000596653868 347498594 /nfs/dbraw/zinc/49/85/94/347498594.db2.gz XHQXQWXBKUWAFX-RTBURBONSA-N 0 3 289.382 3.405 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc(OCC(F)F)cc2)C1 ZINC000597174254 347544579 /nfs/dbraw/zinc/54/45/79/347544579.db2.gz ONWGHPGJWZZVEK-CYBMUJFWSA-N 0 3 294.345 3.456 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597085563 347534605 /nfs/dbraw/zinc/53/46/05/347534605.db2.gz WCUNCYTYLJSIED-UHFFFAOYSA-N 0 3 279.387 3.367 20 30 CGEDHN CC1=CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597125088 347537271 /nfs/dbraw/zinc/53/72/71/347537271.db2.gz VQOFJNPYMBGHFQ-UHFFFAOYSA-N 0 3 252.361 3.394 20 30 CGEDHN CC(C)[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597136406 347539053 /nfs/dbraw/zinc/53/90/53/347539053.db2.gz WDMKSBRWVXLZKB-GOSISDBHSA-N 0 3 298.430 3.489 20 30 CGEDHN N#Cc1csc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000597224347 347556891 /nfs/dbraw/zinc/55/68/91/347556891.db2.gz GULABVBNWNKCOL-GOEBONIOSA-N 0 3 290.432 3.401 20 30 CGEDHN CC[C@](C)(NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598251852 347638234 /nfs/dbraw/zinc/63/82/34/347638234.db2.gz WFPRQQSHWJOUEM-QAPCUYQASA-N 0 3 284.403 3.454 20 30 CGEDHN CCSc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598727143 347683489 /nfs/dbraw/zinc/68/34/89/347683489.db2.gz DDCVIJLCUHOKIH-AWEZNQCLSA-N 0 3 292.448 3.189 20 30 CGEDHN CCC(C)(C)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598859645 347695886 /nfs/dbraw/zinc/69/58/86/347695886.db2.gz IEFPUVYYBHLWFW-BBRMVZONSA-N 0 3 297.402 3.181 20 30 CGEDHN C=CC(C)(C)CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000598985809 347703468 /nfs/dbraw/zinc/70/34/68/347703468.db2.gz ZCUARQGAUQCSRN-UHFFFAOYSA-N 0 3 294.351 3.001 20 30 CGEDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC000598997154 347705163 /nfs/dbraw/zinc/70/51/63/347705163.db2.gz YEIMZWYHXSCYFS-WBVHZDCISA-N 0 3 272.392 3.145 20 30 CGEDHN Cc1ccc([C@@H]2CCCCN2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593514 347668464 /nfs/dbraw/zinc/66/84/64/347668464.db2.gz UHEIHSXTMKGUCS-CABCVRRESA-N 0 3 290.407 3.416 20 30 CGEDHN CN(Cc1ccc(Cl)c(F)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598598951 347669322 /nfs/dbraw/zinc/66/93/22/347669322.db2.gz KFYCCEUUHSQNPG-LBPRGKRZSA-N 0 3 298.789 3.212 20 30 CGEDHN CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cc(F)ccc1F ZINC000598603666 347670524 /nfs/dbraw/zinc/67/05/24/347670524.db2.gz YIGOIMPKNKECAU-IUODEOHRSA-N 0 3 296.361 3.306 20 30 CGEDHN CN(Cc1ccc(F)c(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598609967 347670585 /nfs/dbraw/zinc/67/05/85/347670585.db2.gz LZMCCGVGCATVLI-LBPRGKRZSA-N 0 3 298.789 3.212 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000598628615 347673136 /nfs/dbraw/zinc/67/31/36/347673136.db2.gz QEPSVIXNXFUQSD-CRAIPNDOSA-N 0 3 286.419 3.202 20 30 CGEDHN C/C=C/C[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000599688974 347766025 /nfs/dbraw/zinc/76/60/25/347766025.db2.gz GYQVOIVGJDGYSZ-BAABZTOOSA-N 0 3 255.365 3.131 20 30 CGEDHN CC[C@H](NCc1ccc(C)c(C#N)c1)c1c(C)nn(C)c1C ZINC000599359645 347739491 /nfs/dbraw/zinc/73/94/91/347739491.db2.gz RMBDXNWUYVLYCW-KRWDZBQOSA-N 0 3 296.418 3.458 20 30 CGEDHN CO[C@@H]1C[C@H](N(C)Cc2ccc(C)c(C#N)c2)C12CCC2 ZINC000599434848 347744503 /nfs/dbraw/zinc/74/45/03/347744503.db2.gz JWVUXHBPAJJQJK-DLBZAZTESA-N 0 3 284.403 3.256 20 30 CGEDHN Cc1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1C#N ZINC000599454549 347746866 /nfs/dbraw/zinc/74/68/66/347746866.db2.gz QNPFGDQCEHGFKT-SFHVURJKSA-N 0 3 284.403 3.400 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)cc1C#N ZINC000599454806 347746949 /nfs/dbraw/zinc/74/69/49/347746949.db2.gz CEDCLHLREYHWTM-QGZVFWFLSA-N 0 3 277.371 3.251 20 30 CGEDHN C[C@@H]1CN(CCOc2ccccc2C#N)C[C@H](C)C1(F)F ZINC000599514781 347750114 /nfs/dbraw/zinc/75/01/14/347750114.db2.gz ZVBSSBOLQWAZLX-BETUJISGSA-N 0 3 294.345 3.160 20 30 CGEDHN C[C@@H]1C[C@H](c2ccc(-c3ccc([O-])c(C#N)c3)cc2)C[NH2+]1 ZINC000600779587 347834575 /nfs/dbraw/zinc/83/45/75/347834575.db2.gz GUPKVJHTOAHENO-PXAZEXFGSA-N 0 3 278.355 3.396 20 30 CGEDHN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000601278919 347888246 /nfs/dbraw/zinc/88/82/46/347888246.db2.gz KYIWQBOGKDVBSX-SFHVURJKSA-N 0 3 296.345 3.483 20 30 CGEDHN CN(C)Cc1cccc(NCCCC(C)(C)C#N)c1 ZINC000601936053 347926569 /nfs/dbraw/zinc/92/65/69/347926569.db2.gz VKVBZCLEDHIKSO-UHFFFAOYSA-N 0 3 259.397 3.490 20 30 CGEDHN CC(C)(CNCc1cccc(F)c1C#N)[C@H]1CCCCO1 ZINC000602009944 347932659 /nfs/dbraw/zinc/93/26/59/347932659.db2.gz BSNOSWJODWQQPD-MRXNPFEDSA-N 0 3 290.382 3.382 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000602016525 347933113 /nfs/dbraw/zinc/93/31/13/347933113.db2.gz FLJHOMDZBMGJBM-IRXDYDNUSA-N 0 3 288.366 3.135 20 30 CGEDHN C[C@H](CCC#N)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602439738 347958482 /nfs/dbraw/zinc/95/84/82/347958482.db2.gz MNCFSWPBZUAMID-CYBMUJFWSA-N 0 3 287.363 3.499 20 30 CGEDHN C[C@@H](CCC#N)CN1CCOc2ccccc2[C@H]1C ZINC000602446763 347959430 /nfs/dbraw/zinc/95/94/30/347959430.db2.gz AHXBFLLHLDACMH-UONOGXRCSA-N 0 3 258.365 3.382 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2C2CCCC2)n1 ZINC000602449262 347960016 /nfs/dbraw/zinc/96/00/16/347960016.db2.gz PNYBDQONSKHFKR-MRXNPFEDSA-N 0 3 255.365 3.108 20 30 CGEDHN N#CCCN(CC1CC1)C[C@H]1CCN(c2ccccc2)C1 ZINC000602464498 347962220 /nfs/dbraw/zinc/96/22/20/347962220.db2.gz YKBFSMJKOORQJN-QGZVFWFLSA-N 0 3 283.419 3.139 20 30 CGEDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1cccc(C#N)n1 ZINC000602477947 347964832 /nfs/dbraw/zinc/96/48/32/347964832.db2.gz UTXATQGLAHAEKG-WBVHZDCISA-N 0 3 291.398 3.406 20 30 CGEDHN C[C@@H](CCC#N)CNCc1ccn(C2CCCC2)n1 ZINC000602576417 347986682 /nfs/dbraw/zinc/98/66/82/347986682.db2.gz NBFRSPKCHAJUGE-ZDUSSCGKSA-N 0 3 260.385 3.028 20 30 CGEDHN COC[C@@H](NC[C@@H](C)CCC#N)c1ccc(F)c(F)c1 ZINC000602580037 347987065 /nfs/dbraw/zinc/98/70/65/347987065.db2.gz CCKOGLBARWMUNB-XHDPSFHLSA-N 0 3 282.334 3.182 20 30 CGEDHN Cc1nc2c(s1)[C@H](N(C)CC1(CC#N)CC1)CCC2 ZINC000602790061 348030086 /nfs/dbraw/zinc/03/00/86/348030086.db2.gz GBVFVXDURLUPMQ-CYBMUJFWSA-N 0 3 275.421 3.455 20 30 CGEDHN COc1cc2c(cc1F)CN(C[C@H](C)CCC#N)CC2 ZINC000602584712 347989029 /nfs/dbraw/zinc/98/90/29/347989029.db2.gz JIMHJSNAYZLHRG-GFCCVEGCSA-N 0 3 276.355 3.132 20 30 CGEDHN CC1(C#N)CCN(C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000602608475 347993115 /nfs/dbraw/zinc/99/31/15/347993115.db2.gz VKSDDONXMHCHOA-MRXNPFEDSA-N 0 3 283.419 3.139 20 30 CGEDHN Cc1ccc2c(c1)nc(CNC1CCC(C#N)CC1)n2C ZINC000602619040 347995582 /nfs/dbraw/zinc/99/55/82/347995582.db2.gz KGNJEEOPAJWEQB-UHFFFAOYSA-N 0 3 282.391 3.054 20 30 CGEDHN Cc1ccccc1C[C@H](C)N(C)Cc1cccc(C#N)n1 ZINC000602636540 347997686 /nfs/dbraw/zinc/99/76/86/347997686.db2.gz IKWCWDRFDGQQFY-HNNXBMFYSA-N 0 3 279.387 3.325 20 30 CGEDHN C[C@H](CCC#N)CN1CCC(Oc2ncccc2F)CC1 ZINC000602638830 347998451 /nfs/dbraw/zinc/99/84/51/347998451.db2.gz XOSUELSETDATEB-CYBMUJFWSA-N 0 3 291.370 3.004 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](c3ccccc3)C2)n1 ZINC000602672265 348005707 /nfs/dbraw/zinc/00/57/07/348005707.db2.gz XTDPZMBMWYRHQQ-INIZCTEOSA-N 0 3 277.371 3.333 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602688347 348009725 /nfs/dbraw/zinc/00/97/25/348009725.db2.gz AZHWKFWNBOQWJG-SJORKVTESA-N 0 3 285.435 3.133 20 30 CGEDHN CCC[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000602691204 348009861 /nfs/dbraw/zinc/00/98/61/348009861.db2.gz DVGAQUOUJYRLBE-BBRMVZONSA-N 0 3 260.381 3.366 20 30 CGEDHN CO[C@H](CNCc1ccc(CC#N)cc1)C1CCCC1 ZINC000602700147 348012938 /nfs/dbraw/zinc/01/29/38/348012938.db2.gz KPZMENUTSGAGOW-QGZVFWFLSA-N 0 3 272.392 3.047 20 30 CGEDHN CO[C@@H](CNCc1ccc(CC#N)cc1)C1CCCC1 ZINC000602700146 348012954 /nfs/dbraw/zinc/01/29/54/348012954.db2.gz KPZMENUTSGAGOW-KRWDZBQOSA-N 0 3 272.392 3.047 20 30 CGEDHN C[C@H](NCc1cccc(C#N)n1)C1CCC(F)(F)CC1 ZINC000602709509 348015012 /nfs/dbraw/zinc/01/50/12/348015012.db2.gz JYXBMSOEKGMEBZ-NSHDSACASA-N 0 3 279.334 3.257 20 30 CGEDHN Cc1cc(C)cc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602710333 348015043 /nfs/dbraw/zinc/01/50/43/348015043.db2.gz SHCGPBKMOGSTIG-MRXNPFEDSA-N 0 3 286.419 3.492 20 30 CGEDHN N#CCC1(CN2CCC(COc3ccccc3)CC2)CC1 ZINC000602762970 348024749 /nfs/dbraw/zinc/02/47/49/348024749.db2.gz IKNFGZFJNSPWBI-UHFFFAOYSA-N 0 3 284.403 3.471 20 30 CGEDHN CN(CCCOc1ccc(F)cc1)CC1(CC#N)CC1 ZINC000602762187 348024819 /nfs/dbraw/zinc/02/48/19/348024819.db2.gz KQTCCFTWXYUHKB-UHFFFAOYSA-N 0 3 276.355 3.220 20 30 CGEDHN COc1cc(F)c([C@H](C)NC[C@@H](C)CCC#N)cc1OC ZINC000602548409 347980036 /nfs/dbraw/zinc/98/00/36/347980036.db2.gz YMUUWFBKKGZBHK-RYUDHWBXSA-N 0 3 294.370 3.433 20 30 CGEDHN N#CCC1(CN[C@@H](c2cccs2)C2(CO)CCC2)CC1 ZINC000602835926 348034999 /nfs/dbraw/zinc/03/49/99/348034999.db2.gz AGWVUGOGRUIRTF-AWEZNQCLSA-N 0 3 290.432 3.235 20 30 CGEDHN N#CCC1(CN2CCC[C@H]2COc2ccccc2)CC1 ZINC000602836646 348035667 /nfs/dbraw/zinc/03/56/67/348035667.db2.gz PUDHRBVLHMXCOB-HNNXBMFYSA-N 0 3 270.376 3.224 20 30 CGEDHN C[C@@H]1CN(CC[C@H]2CCc3ccccc32)C[C@H](C)N1CC#N ZINC000602848195 348036470 /nfs/dbraw/zinc/03/64/70/348036470.db2.gz FIUZURJLSAYJSZ-SOLBZPMBSA-N 0 3 297.446 3.025 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602888859 348040860 /nfs/dbraw/zinc/04/08/60/348040860.db2.gz SZLWSDUTQNJLKI-HNNXBMFYSA-N 0 3 294.402 3.359 20 30 CGEDHN CC1(C)C[C@@H](N2CCC(Nc3ccccc3C#N)CC2)CO1 ZINC000602899461 348041825 /nfs/dbraw/zinc/04/18/25/348041825.db2.gz JYHPYGZTQKTHOP-MRXNPFEDSA-N 0 3 299.418 3.002 20 30 CGEDHN CC(C)=CCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907563 348042742 /nfs/dbraw/zinc/04/27/42/348042742.db2.gz OBENDANYBCOMGV-UHFFFAOYSA-N 0 3 255.365 3.099 20 30 CGEDHN N#CCCCCN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602923188 348045104 /nfs/dbraw/zinc/04/51/04/348045104.db2.gz AAJFXRXRBPHKFZ-CYBMUJFWSA-N 0 3 286.297 3.022 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(Cc2nccs2)CC1 ZINC000602954013 348047147 /nfs/dbraw/zinc/04/71/47/348047147.db2.gz GCGAYPHCBNGJNA-LBPRGKRZSA-N 0 3 263.410 3.090 20 30 CGEDHN CN(C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602981901 348051364 /nfs/dbraw/zinc/05/13/64/348051364.db2.gz KYVCRFACQOPWIA-QAETUUGQSA-N 0 3 254.377 3.414 20 30 CGEDHN C=CCCCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000605150740 348148553 /nfs/dbraw/zinc/14/85/53/348148553.db2.gz VGSNLFLWNHJYGH-MRXNPFEDSA-N 0 3 288.435 3.340 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000606933019 348210387 /nfs/dbraw/zinc/21/03/87/348210387.db2.gz OKTKZCOYTVJEQI-OAGGEKHMSA-N 0 3 280.456 3.453 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC(C2CCCC2)CC1 ZINC000608503046 348316079 /nfs/dbraw/zinc/31/60/79/348316079.db2.gz XJPAMPDPRKKHCG-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000609847958 348354055 /nfs/dbraw/zinc/35/40/55/348354055.db2.gz PWDKSVLURZWKKZ-VNQPRFMTSA-N 0 3 270.376 3.064 20 30 CGEDHN CC(C#N)C(=O)NC(c1cccs1)c1cccs1 ZINC000610016444 348361033 /nfs/dbraw/zinc/36/10/33/348361033.db2.gz WSNSZFUENWOEIO-VIFPVBQESA-N 0 3 276.386 3.175 20 30 CGEDHN N#Cc1cc(CN2CCCC3(CCCCC3)C2)ccn1 ZINC000610992694 348415330 /nfs/dbraw/zinc/41/53/30/348415330.db2.gz CGQMQFOYHFMLMQ-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN C[C@H]1Cc2ccccc2CN1CCOc1ccccc1C#N ZINC000357807091 233009562 /nfs/dbraw/zinc/00/95/62/233009562.db2.gz NUUKSCQNSIDCPF-HNNXBMFYSA-N 0 3 292.382 3.384 20 30 CGEDHN CC(C)(C)C1CCC(CN2CCN(CCC#N)CC2)CC1 ZINC000611176310 348426316 /nfs/dbraw/zinc/42/63/16/348426316.db2.gz ZIAZSNORGLIPJR-UHFFFAOYSA-N 0 3 291.483 3.370 20 30 CGEDHN CC[C@@H](C)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553334 348460639 /nfs/dbraw/zinc/46/06/39/348460639.db2.gz WYOQPQBKXCGTAE-PBHICJAKSA-N 0 3 289.398 3.054 20 30 CGEDHN CCO[C@@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167956 348654194 /nfs/dbraw/zinc/65/41/94/348654194.db2.gz DIEXWCNCTIYDIY-QGZVFWFLSA-N 0 3 286.419 3.489 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1C ZINC000614176749 348655493 /nfs/dbraw/zinc/65/54/93/348655493.db2.gz CBPAWUGCLRFQQO-CABCVRRESA-N 0 3 285.435 3.012 20 30 CGEDHN Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000614178765 348656124 /nfs/dbraw/zinc/65/61/24/348656124.db2.gz DCJMYDCWLCYIOB-ZDUSSCGKSA-N 0 3 265.360 3.421 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000339502155 215213126 /nfs/dbraw/zinc/21/31/26/215213126.db2.gz QNKBWLLTFWMPRR-LRTDBIEQSA-N 0 3 298.411 3.146 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000614407655 348674663 /nfs/dbraw/zinc/67/46/63/348674663.db2.gz VPDDSSCFFVMHQN-DLBZAZTESA-N 0 3 286.419 3.096 20 30 CGEDHN CN(Cc1ccnc(C#N)c1)CC1(c2ccccc2)CC1 ZINC000614915431 348699351 /nfs/dbraw/zinc/69/93/51/348699351.db2.gz YDWAAPKTRGSSNZ-UHFFFAOYSA-N 0 3 277.371 3.117 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C(F)F)C1 ZINC000615444959 348740446 /nfs/dbraw/zinc/74/04/46/348740446.db2.gz RAIUEDILZFYPJA-GWCFXTLKSA-N 0 3 250.292 3.206 20 30 CGEDHN Cc1cccc(NCCN[C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358574015 233158662 /nfs/dbraw/zinc/15/86/62/233158662.db2.gz RIXPRCZADUYLJX-CYBMUJFWSA-N 0 3 298.365 3.164 20 30 CGEDHN CC(C)n1cc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000618568482 349107237 /nfs/dbraw/zinc/10/72/37/349107237.db2.gz WRRSODCWNOMTDM-KCQAQPDRSA-N 0 3 260.385 3.197 20 30 CGEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(CO)c1 ZINC000618802543 349156032 /nfs/dbraw/zinc/15/60/32/349156032.db2.gz FIPNYILXWLVJEN-YJYMSZOUSA-N 0 3 292.382 3.389 20 30 CGEDHN COC[C@@H](CC(C)C)NCc1ccc(C#N)c(Cl)c1 ZINC000619755129 349281539 /nfs/dbraw/zinc/28/15/39/349281539.db2.gz UJAXMDQMODWVEX-CQSZACIVSA-N 0 3 280.799 3.362 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](OCC)C1CC1 ZINC000625306058 350155881 /nfs/dbraw/zinc/15/58/81/350155881.db2.gz SQUCYIDZYIXLJR-INIZCTEOSA-N 0 3 263.381 3.125 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2nn(CC)c3ccccc23)C1 ZINC000628406535 350529903 /nfs/dbraw/zinc/52/99/03/350529903.db2.gz LLFMFYSHPNTJIX-CQSZACIVSA-N 0 3 269.392 3.454 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1 ZINC000628405958 350529915 /nfs/dbraw/zinc/52/99/15/350529915.db2.gz YOABUIZKTJMCTO-CYBMUJFWSA-N 0 3 261.365 3.102 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000630806962 350890839 /nfs/dbraw/zinc/89/08/39/350890839.db2.gz CKFPJWHOYPHCKO-NVXWUHKLSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCCC(C)(C)CNCc1cn(C2CCC2)nn1 ZINC000631222432 350996212 /nfs/dbraw/zinc/99/62/12/350996212.db2.gz XISBVWQJMOHBEI-UHFFFAOYSA-N 0 3 262.401 3.085 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCOc2c(OC)cccc21 ZINC000631598996 351085821 /nfs/dbraw/zinc/08/58/21/351085821.db2.gz HQUWNZSJGLRNQV-OAHLLOKOSA-N 0 3 291.391 3.091 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC000634276894 351461354 /nfs/dbraw/zinc/46/13/54/351461354.db2.gz XMSMUDLWLDGKAM-QGZVFWFLSA-N 0 3 298.430 3.042 20 30 CGEDHN C=CCCOCCNCc1ccc(OC(C)C)cc1 ZINC000120818370 186928216 /nfs/dbraw/zinc/92/82/16/186928216.db2.gz STOQNGJJNWPRQP-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C=CCN(CCC(=O)Nc1ccccc1SC)C1CC1 ZINC000271494927 191172392 /nfs/dbraw/zinc/17/23/92/191172392.db2.gz VACMCFBAHCHOHX-UHFFFAOYSA-N 0 3 290.432 3.388 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)NCc1ccc(C#N)cc1F ZINC000352412496 219447083 /nfs/dbraw/zinc/44/70/83/219447083.db2.gz GBFVOYKFAXWTKX-LBPRGKRZSA-N 0 3 284.334 3.124 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)o1 ZINC000376009996 234786828 /nfs/dbraw/zinc/78/68/28/234786828.db2.gz ZPFXLOKBLARZOT-YEORSEQZSA-N 0 3 288.297 3.465 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(F)(c3cccnc3)CC2)C1 ZINC000335065069 283057802 /nfs/dbraw/zinc/05/78/02/283057802.db2.gz MOGKFRLJQVJJTJ-UKRRQHHQSA-N 0 3 273.355 3.034 20 30 CGEDHN N#Cc1ccc(CN2CCSC[C@H]2C2CCC2)cc1 ZINC000418122785 283141504 /nfs/dbraw/zinc/14/15/04/283141504.db2.gz FPKDKBPWINDCSI-INIZCTEOSA-N 0 3 272.417 3.276 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000037748414 283147560 /nfs/dbraw/zinc/14/75/60/283147560.db2.gz LJSZEGQLQRUBBH-MRXNPFEDSA-N 0 3 264.328 3.041 20 30 CGEDHN C#CCCCCN[C@H](C)c1cc(Br)ncc1F ZINC000273819542 192321087 /nfs/dbraw/zinc/32/10/87/192321087.db2.gz CQGAHGHIIDCKII-SNVBAGLBSA-N 0 3 299.187 3.437 20 30 CGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1cc(C#N)ccc1OC ZINC000124605994 138376423 /nfs/dbraw/zinc/37/64/23/138376423.db2.gz BLJFYIMPKRNVGC-IUODEOHRSA-N 0 3 258.365 3.330 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000425530636 236257759 /nfs/dbraw/zinc/25/77/59/236257759.db2.gz FRYABANZLPQYTF-XJKCOSOUSA-N 0 3 258.365 3.119 20 30 CGEDHN Cc1cc(NC[C@H](c2ccc(F)cc2)N(C)C)cc(C#N)n1 ZINC000341550047 216010245 /nfs/dbraw/zinc/01/02/45/216010245.db2.gz AURGQZUXZUKJDX-QGZVFWFLSA-N 0 3 298.365 3.116 20 30 CGEDHN N#Cc1c(Cl)cccc1NC1CCN(C2CC2)CC1 ZINC000297235580 200121806 /nfs/dbraw/zinc/12/18/06/200121806.db2.gz ASNHZSLCJBGFTL-UHFFFAOYSA-N 0 3 275.783 3.250 20 30 CGEDHN N#CCCCCN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120254946 370753663 /nfs/dbraw/zinc/75/36/63/370753663.db2.gz QCMKATMBIPYFQL-HNNXBMFYSA-N 0 3 295.390 3.302 20 30 CGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCC12CCCC2 ZINC000451464085 240307530 /nfs/dbraw/zinc/30/75/30/240307530.db2.gz YEDDMNRZDZJHFG-MRXNPFEDSA-N 0 3 270.376 3.379 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1ccccc1N1CCCC1 ZINC000121377931 370856071 /nfs/dbraw/zinc/85/60/71/370856071.db2.gz FQNSWVHDUFXHEM-QGZVFWFLSA-N 0 3 288.435 3.046 20 30 CGEDHN C[C@@H](CCCc1cccnc1)NCc1ccccc1C#N ZINC000459630930 242154129 /nfs/dbraw/zinc/15/41/29/242154129.db2.gz BQOANYGYPUJZPP-HNNXBMFYSA-N 0 3 279.387 3.454 20 30 CGEDHN COc1ccc(CN2CC(C(C)(C)C)C2)cc1C#N ZINC000459630525 242154203 /nfs/dbraw/zinc/15/42/03/242154203.db2.gz APJBWJAGGPGDSL-UHFFFAOYSA-N 0 3 258.365 3.045 20 30 CGEDHN C=CCN(C)Cc1ccc(OCc2ccncc2)cc1 ZINC000121493222 370865739 /nfs/dbraw/zinc/86/57/39/370865739.db2.gz QHPFSHQJXQGODL-UHFFFAOYSA-N 0 3 268.360 3.278 20 30 CGEDHN N#Cc1ccc(CNCCCc2cccs2)c(F)c1 ZINC000537657302 376192690 /nfs/dbraw/zinc/19/26/90/376192690.db2.gz SLDBLZNBECBNES-UHFFFAOYSA-N 0 3 274.364 3.481 20 30 CGEDHN CCC[C@@H](C)[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000486767521 243370535 /nfs/dbraw/zinc/37/05/35/243370535.db2.gz AMXSKYQGJPDUHO-RHSMWYFYSA-N 0 3 299.418 3.397 20 30 CGEDHN C=C(C)COCCNCc1cnc(C(C)(C)C)s1 ZINC000125776518 370941934 /nfs/dbraw/zinc/94/19/34/370941934.db2.gz OZXCKDWWRVSETJ-UHFFFAOYSA-N 0 3 268.426 3.123 20 30 CGEDHN C=CCOc1ccccc1CNCCCOC(C)C ZINC000034991891 368986875 /nfs/dbraw/zinc/98/68/75/368986875.db2.gz OGMQWRQTVJFHNE-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000037508337 369087912 /nfs/dbraw/zinc/08/79/12/369087912.db2.gz IXMXKNNGBWMZMA-GFCCVEGCSA-N 0 3 280.327 3.138 20 30 CGEDHN N#CC(C(=O)c1ccc2ccccc2n1)c1ccccn1 ZINC000046439252 369294219 /nfs/dbraw/zinc/29/42/19/369294219.db2.gz FBPUXNMHWIZGTA-ZDUSSCGKSA-N 0 3 273.295 3.120 20 30 CGEDHN C=CCN(CCOC(C)C)Cc1ccc(OC)cc1 ZINC000054272323 369500680 /nfs/dbraw/zinc/50/06/80/369500680.db2.gz ZELCMUPIOYOBAX-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN C=C(C)CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339175 369502050 /nfs/dbraw/zinc/50/20/50/369502050.db2.gz DNRJQCUTOGSFLA-UONOGXRCSA-N 0 3 286.202 3.459 20 30 CGEDHN N#Cc1ccc(Cl)cc1N1CCN(C2CCCC2)CC1 ZINC000062790088 369631771 /nfs/dbraw/zinc/63/17/71/369631771.db2.gz WYYCIPWHSFOZKY-UHFFFAOYSA-N 0 3 289.810 3.276 20 30 CGEDHN Cc1ccc(CCN(CCCC#N)C[C@@H]2CCCO2)cc1 ZINC000075999951 369925272 /nfs/dbraw/zinc/92/52/72/369925272.db2.gz MFUFIPNYFVBEKF-SFHVURJKSA-N 0 3 286.419 3.322 20 30 CGEDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000093250932 370113752 /nfs/dbraw/zinc/11/37/52/370113752.db2.gz BORTWEBTDIHPII-KGLIPLIRSA-N 0 3 287.407 3.253 20 30 CGEDHN C=CC1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000093359264 370119171 /nfs/dbraw/zinc/11/91/71/370119171.db2.gz OZBQJNUXCBSNJM-UHFFFAOYSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CCCCN(C)Cc1cccc2c1OCCCO2 ZINC000093533532 370139039 /nfs/dbraw/zinc/13/90/39/370139039.db2.gz CQPIVHQYNCMPMI-UHFFFAOYSA-N 0 3 261.365 3.246 20 30 CGEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1C1CCC1 ZINC000103143394 370319731 /nfs/dbraw/zinc/31/97/31/370319731.db2.gz XKZJFNXDIDQGMF-MRXNPFEDSA-N 0 3 258.340 3.462 20 30 CGEDHN C=C(C)CN1CCC(Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000106066289 370350602 /nfs/dbraw/zinc/35/06/02/370350602.db2.gz NOPOSAKQKDJMCU-UHFFFAOYSA-N 0 3 289.379 3.356 20 30 CGEDHN C[C@@H](c1cccc(O)c1)N(C)CCOc1ccc(C#N)cc1 ZINC000109780821 370364639 /nfs/dbraw/zinc/36/46/39/370364639.db2.gz NXYWIWNSSIQCQR-AWEZNQCLSA-N 0 3 296.370 3.336 20 30 CGEDHN C[C@H](c1cccc(O)c1)N(C)Cc1cccc(C#N)c1 ZINC000109785129 370366595 /nfs/dbraw/zinc/36/65/95/370366595.db2.gz ZBQNFERMWGIIEF-CYBMUJFWSA-N 0 3 266.344 3.457 20 30 CGEDHN CN(Cc1cccc(OCCCC#N)c1)[C@H]1CCSC1 ZINC000130533837 371041397 /nfs/dbraw/zinc/04/13/97/371041397.db2.gz YWZKMMDEQLQVAH-HNNXBMFYSA-N 0 3 290.432 3.306 20 30 CGEDHN CS[C@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000134600909 371353398 /nfs/dbraw/zinc/35/33/98/371353398.db2.gz HRISGKGNPKOBMI-AWEZNQCLSA-N 0 3 278.396 3.415 20 30 CGEDHN Cc1ccc(C[C@@H](C)NCc2ccc(C#N)o2)s1 ZINC000135190118 371399823 /nfs/dbraw/zinc/39/98/23/371399823.db2.gz AYCYMQYOPCKQLN-SNVBAGLBSA-N 0 3 260.362 3.242 20 30 CGEDHN CN(CCCC(C)(C)C#N)[C@@H]1CCCc2c1cnn2C ZINC000135560933 371435382 /nfs/dbraw/zinc/43/53/82/371435382.db2.gz ZSCFTNRRSQONIJ-CQSZACIVSA-N 0 3 274.412 3.059 20 30 CGEDHN C=CCOc1ccc(CNCC2=CCCOC2)cc1Cl ZINC000288537764 371739380 /nfs/dbraw/zinc/73/93/80/371739380.db2.gz WIJGBUSNFBBBGR-UHFFFAOYSA-N 0 3 293.794 3.341 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)ccn1 ZINC000287618787 371682771 /nfs/dbraw/zinc/68/27/71/371682771.db2.gz SUPQZDFBKDFTQK-LZWOXQAQSA-N 0 3 260.381 3.022 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(C)c2)sc1C ZINC000155658633 371938934 /nfs/dbraw/zinc/93/89/34/371938934.db2.gz VWNVHLLSQGWKDJ-CYBMUJFWSA-N 0 3 285.372 3.314 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)CCc1ccc(F)cc1 ZINC000156317224 371974792 /nfs/dbraw/zinc/97/47/92/371974792.db2.gz DFEXNWOPCIXQAN-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN N#Cc1ccc(CNCCCCNc2ccccn2)c(F)c1 ZINC000344190068 217090320 /nfs/dbraw/zinc/09/03/20/217090320.db2.gz ZTNGRLHEOBMWDE-UHFFFAOYSA-N 0 3 298.365 3.074 20 30 CGEDHN C[C@H]1C[C@@H](Nc2c(C#N)cnc3ccccc32)CN1C1CC1 ZINC000290529765 372010716 /nfs/dbraw/zinc/01/07/16/372010716.db2.gz DBSHZMABSFRPRV-GXTWGEPZSA-N 0 3 292.386 3.144 20 30 CGEDHN CC[C@]1(C)CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000344218252 217103506 /nfs/dbraw/zinc/10/35/06/217103506.db2.gz LPCIJYQGUDMXKQ-QGZVFWFLSA-N 0 3 288.391 3.068 20 30 CGEDHN CC[C@@]1(C)CCN(CCOc2ccccc2C#N)C1 ZINC000344211589 217100264 /nfs/dbraw/zinc/10/02/64/217100264.db2.gz CHFSPWWZIPHATC-INIZCTEOSA-N 0 3 258.365 3.059 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1cn(-c2ccncc2)nc1C ZINC000426565596 372165225 /nfs/dbraw/zinc/16/52/25/372165225.db2.gz BQTXTAPDSZXVOQ-INIZCTEOSA-N 0 3 282.391 3.116 20 30 CGEDHN C=CCc1cc(CN2CC[C@@H]2CC)cc(OC)c1O ZINC000292820528 372218435 /nfs/dbraw/zinc/21/84/35/372218435.db2.gz PWBRJKKDVHJUNC-AWEZNQCLSA-N 0 3 261.365 3.114 20 30 CGEDHN CCOC1(CNCc2ccc(C#N)cc2F)CCCC1 ZINC000292954340 372259548 /nfs/dbraw/zinc/25/95/48/372259548.db2.gz KVZZKLUAMFBBDD-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN C=CCCN(C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430067793 372383211 /nfs/dbraw/zinc/38/32/11/372383211.db2.gz QCWOBWKZRNLCAH-UHFFFAOYSA-N 0 3 283.375 3.160 20 30 CGEDHN C=C(CC)CN(CCc1ccccn1)Cc1cccnc1 ZINC000430298910 372388921 /nfs/dbraw/zinc/38/89/21/372388921.db2.gz AWOYJGDPAAYWAJ-UHFFFAOYSA-N 0 3 281.403 3.488 20 30 CGEDHN CN(Cc1ccc(C#N)cc1Cl)CC1CCOCC1 ZINC000162909318 372432949 /nfs/dbraw/zinc/43/29/49/372432949.db2.gz YRGRGBJPNGHHOZ-UHFFFAOYSA-N 0 3 278.783 3.070 20 30 CGEDHN C=CCC(C)(C)CNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000432106007 372537211 /nfs/dbraw/zinc/53/72/11/372537211.db2.gz GWXGWPGONPJUMO-GJZGRUSLSA-N 0 3 295.471 3.008 20 30 CGEDHN C#CC[C@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000293857536 372503101 /nfs/dbraw/zinc/50/31/01/372503101.db2.gz RQKHVUBCEHLTKT-MOPGFXCFSA-N 0 3 297.373 3.083 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000432072492 372533482 /nfs/dbraw/zinc/53/34/82/372533482.db2.gz SLTJIKNSCVVFRJ-HUUCEWRRSA-N 0 3 295.471 3.151 20 30 CGEDHN C=C(C)COCCNCc1ccc(OC(F)F)c(F)c1 ZINC000168585732 372615296 /nfs/dbraw/zinc/61/52/96/372615296.db2.gz VSJLAGRNYNMIIN-UHFFFAOYSA-N 0 3 289.297 3.109 20 30 CGEDHN N#Cc1ccc(NC[C@@H]2CCCCN2C2CC2)c(F)c1 ZINC000433808504 372635705 /nfs/dbraw/zinc/63/57/05/372635705.db2.gz CWOWTHDHFICBTG-AWEZNQCLSA-N 0 3 273.355 3.126 20 30 CGEDHN C=C(CC)CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000434670859 372700001 /nfs/dbraw/zinc/70/00/01/372700001.db2.gz RRDOFEDIAFQIMZ-UHFFFAOYSA-N 0 3 273.424 3.365 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNc1ccnc2ccc(C)cc21 ZINC000435594329 372782279 /nfs/dbraw/zinc/78/22/79/372782279.db2.gz WEZRDGJIKACYPC-KBXCAEBGSA-N 0 3 282.387 3.358 20 30 CGEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000436481595 372835326 /nfs/dbraw/zinc/83/53/26/372835326.db2.gz CTCBFSKUNFDDEF-SFHVURJKSA-N 0 3 299.462 3.260 20 30 CGEDHN C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438468776 372959576 /nfs/dbraw/zinc/95/95/76/372959576.db2.gz KZOUTSRQYUHZSK-LBPRGKRZSA-N 0 3 283.293 3.279 20 30 CGEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cnn(CC)c2)cc1 ZINC000296002488 372991570 /nfs/dbraw/zinc/99/15/70/372991570.db2.gz QNHVUMHILMUTGJ-HUUCEWRRSA-N 0 3 297.402 3.327 20 30 CGEDHN C=C1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443618333 373158181 /nfs/dbraw/zinc/15/81/81/373158181.db2.gz MWISLTRDZCTROK-CQSZACIVSA-N 0 3 299.336 3.261 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000442903202 373125743 /nfs/dbraw/zinc/12/57/43/373125743.db2.gz XXTRCWZWGMTORW-XYPHTWIQSA-N 0 3 286.419 3.348 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCC1CCC1 ZINC000442896753 373126040 /nfs/dbraw/zinc/12/60/40/373126040.db2.gz IEHBJPFOZJSREH-CQSZACIVSA-N 0 3 272.392 3.368 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000173389195 373134860 /nfs/dbraw/zinc/13/48/60/373134860.db2.gz IIIZBUZGPUMEOV-LBPRGKRZSA-N 0 3 281.421 3.274 20 30 CGEDHN C[C@H](NCCOc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000173909307 373214126 /nfs/dbraw/zinc/21/41/26/373214126.db2.gz OSTJCKZLEUWDOW-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)[C@H](C)O1 ZINC000444677264 373232560 /nfs/dbraw/zinc/23/25/60/373232560.db2.gz SLUWXKVBCUFJHP-RDBSUJKOSA-N 0 3 252.402 3.204 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)[C@H](C)[C@H](C)O1 ZINC000444677260 373232820 /nfs/dbraw/zinc/23/28/20/373232820.db2.gz SLUWXKVBCUFJHP-MCIONIFRSA-N 0 3 252.402 3.204 20 30 CGEDHN C=C1CCN(Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000297310097 373265821 /nfs/dbraw/zinc/26/58/21/373265821.db2.gz BSOVVLFVVIPAFL-INIZCTEOSA-N 0 3 286.419 3.064 20 30 CGEDHN CN(CCCCNCc1ccc(C#N)o1)c1ccccc1 ZINC000174298104 373285926 /nfs/dbraw/zinc/28/59/26/373285926.db2.gz SRBXRWYOAPXPCK-UHFFFAOYSA-N 0 3 283.375 3.157 20 30 CGEDHN N#Cc1ccc(CN2CCCN(c3ccccc3)CC2)cc1 ZINC000298764607 373402577 /nfs/dbraw/zinc/40/25/77/373402577.db2.gz YGRYLXYIDBMCSB-UHFFFAOYSA-N 0 3 291.398 3.271 20 30 CGEDHN C=CCCCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000175457124 373471111 /nfs/dbraw/zinc/47/11/11/373471111.db2.gz NEKSFQANQDQGIC-MRXNPFEDSA-N 0 3 274.408 3.070 20 30 CGEDHN COc1ccc(CNC2CCC(C)(C#N)CC2)c(F)c1 ZINC000449196366 373670622 /nfs/dbraw/zinc/67/06/22/373670622.db2.gz YEAFHJKKGIAIIR-UHFFFAOYSA-N 0 3 276.355 3.396 20 30 CGEDHN CC/C=C\CNCc1cccc(OCCCC#N)c1 ZINC000449458783 373742364 /nfs/dbraw/zinc/74/23/64/373742364.db2.gz POWPJEIVLUBFMJ-HYXAFXHYSA-N 0 3 258.365 3.425 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)cc1Cl ZINC000449546244 373830485 /nfs/dbraw/zinc/83/04/85/373830485.db2.gz BCXZLLCNHWAUSZ-KGLIPLIRSA-N 0 3 269.747 3.302 20 30 CGEDHN COC[C@@H](Cc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000449735966 373862487 /nfs/dbraw/zinc/86/24/87/373862487.db2.gz TVUASGYQVXBDRN-QGZVFWFLSA-N 0 3 298.361 3.045 20 30 CGEDHN C[C@@H](Cc1ccoc1)NCc1ccc(C#N)c(F)c1 ZINC000449735239 373863287 /nfs/dbraw/zinc/86/32/87/373863287.db2.gz GNGZAWNEMZHABU-NSHDSACASA-N 0 3 258.296 3.011 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000179804504 373919232 /nfs/dbraw/zinc/91/92/32/373919232.db2.gz ODBLFLKEHCARNH-HNNXBMFYSA-N 0 3 292.398 3.195 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000180459689 374010068 /nfs/dbraw/zinc/01/00/68/374010068.db2.gz APGGOOVXHQWLDJ-LBPRGKRZSA-N 0 3 253.415 3.034 20 30 CGEDHN CO[C@]1(C)C[C@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC000180251973 373982841 /nfs/dbraw/zinc/98/28/41/373982841.db2.gz UAGJZUYTNHWFHN-DZGCQCFKSA-N 0 3 278.421 3.255 20 30 CGEDHN N#Cc1csc(CN[C@H](CCCO)c2ccccc2)c1 ZINC000304613482 374057427 /nfs/dbraw/zinc/05/74/27/374057427.db2.gz FWYVJCQLBJAPAP-MRXNPFEDSA-N 0 3 286.400 3.223 20 30 CGEDHN CCC(CC)(CO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305842096 374118679 /nfs/dbraw/zinc/11/86/79/374118679.db2.gz ZTINRSCYQKVUIP-GFCCVEGCSA-N 0 3 278.371 3.147 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1ccccc1)c1cccc(C#N)c1 ZINC000181745350 374164873 /nfs/dbraw/zinc/16/48/73/374164873.db2.gz XVMGIDHOWWBHTM-CQSZACIVSA-N 0 3 293.370 3.238 20 30 CGEDHN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000182334230 374260965 /nfs/dbraw/zinc/26/09/65/374260965.db2.gz ICOBTJRVTFDOLW-AWEZNQCLSA-N 0 3 293.370 3.156 20 30 CGEDHN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000182334215 374261751 /nfs/dbraw/zinc/26/17/51/374261751.db2.gz ICOBTJRVTFDOLW-CQSZACIVSA-N 0 3 293.370 3.156 20 30 CGEDHN C[C@@H](NCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000182942940 374347933 /nfs/dbraw/zinc/34/79/33/374347933.db2.gz GRVALGYTBVXALP-LLVKDONJSA-N 0 3 291.420 3.117 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1csc(Cl)c1 ZINC000320809077 374352982 /nfs/dbraw/zinc/35/29/82/374352982.db2.gz WXPOTGSRSFCWNQ-MWLCHTKSSA-N 0 3 259.802 3.379 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453348115 374438651 /nfs/dbraw/zinc/43/86/51/374438651.db2.gz KTGLYGJMUURRIK-XZJROXQQSA-N 0 3 274.339 3.082 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCCC2(C)C)CCCC1 ZINC000457051363 374641585 /nfs/dbraw/zinc/64/15/85/374641585.db2.gz HLODOGTWIXEZQN-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN COc1cc(C)cc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185866657 374756000 /nfs/dbraw/zinc/75/60/00/374756000.db2.gz PWHLJGGYQWKLRW-ZFWWWQNUSA-N 0 3 258.365 3.176 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000186311871 374830611 /nfs/dbraw/zinc/83/06/11/374830611.db2.gz VODFGOYCPATNCC-IAGOWNOFSA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCc1cc(CNCC(C)(C)OCC)cc(OC)c1O ZINC000186532289 374869458 /nfs/dbraw/zinc/86/94/58/374869458.db2.gz QPZYBJBUPMUEQY-UHFFFAOYSA-N 0 3 293.407 3.034 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccccc1Br ZINC000186704256 374902636 /nfs/dbraw/zinc/90/26/36/374902636.db2.gz ZQYWMHWLUOVWRH-QWRGUYRKSA-N 0 3 284.197 3.037 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000186691141 374900851 /nfs/dbraw/zinc/90/08/51/374900851.db2.gz DASDSULENDBOJP-CMPLNLGQSA-N 0 3 282.453 3.337 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186438130 374852454 /nfs/dbraw/zinc/85/24/54/374852454.db2.gz PXUWWVVSSCQWIV-IBGZPJMESA-N 0 3 290.366 3.190 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000334656742 374948521 /nfs/dbraw/zinc/94/85/21/374948521.db2.gz YFOBCGCUTYGRFU-RHSMWYFYSA-N 0 3 280.375 3.153 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187204443 374987462 /nfs/dbraw/zinc/98/74/62/374987462.db2.gz WEFXZTVDNBDTEB-ZOBUZTSGSA-N 0 3 288.435 3.396 20 30 CGEDHN C=CCOCCCN1CCN(c2ccccc2)C[C@H]1CC ZINC000470761824 374999612 /nfs/dbraw/zinc/99/96/12/374999612.db2.gz LPYHZOLRMHKVBY-QGZVFWFLSA-N 0 3 288.435 3.180 20 30 CGEDHN CCCCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000472591051 375026745 /nfs/dbraw/zinc/02/67/45/375026745.db2.gz VUMSVRBRRDOLQB-QGZVFWFLSA-N 0 3 271.408 3.059 20 30 CGEDHN N#Cc1ccc(CNC2(Cc3ccccc3)CC2)o1 ZINC000187493451 375030607 /nfs/dbraw/zinc/03/06/07/375030607.db2.gz XJUKAXYIHMFTOE-UHFFFAOYSA-N 0 3 252.317 3.016 20 30 CGEDHN CN(CC#Cc1ccccc1)C1Cc2ccccc2C1 ZINC000483526470 375182388 /nfs/dbraw/zinc/18/23/88/375182388.db2.gz ACMNWHYQPZHCDG-UHFFFAOYSA-N 0 3 261.368 3.137 20 30 CGEDHN C=C(C)[C@H](NC[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000479416712 375151678 /nfs/dbraw/zinc/15/16/78/375151678.db2.gz ZFXINJKGDVASOD-NHYWBVRUSA-N 0 3 267.319 3.208 20 30 CGEDHN C[C@H](CO)N(CC#Cc1ccccc1Cl)CC1CCC1 ZINC000483144945 375175511 /nfs/dbraw/zinc/17/55/11/375175511.db2.gz SQJJYCHMZCEYJD-CQSZACIVSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCN(CC(=O)NCCCCC)CC1CCCCC1 ZINC000484994641 375190289 /nfs/dbraw/zinc/19/02/89/375190289.db2.gz JXLZEQKKQMCXCP-UHFFFAOYSA-N 0 3 280.456 3.361 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3cccnc3)C2)cc1F ZINC000335413897 375272462 /nfs/dbraw/zinc/27/24/62/375272462.db2.gz CQDZLSPALDXLFS-INIZCTEOSA-N 0 3 281.334 3.082 20 30 CGEDHN Cc1cc(CN2CCC[C@H]2[C@H]2CCCO2)ccc1C#N ZINC000335933687 375550323 /nfs/dbraw/zinc/55/03/23/375550323.db2.gz NSHGURWUJXKDLX-DLBZAZTESA-N 0 3 270.376 3.010 20 30 CGEDHN Cn1cc(CN[C@H]2CC(C)(C)c3ccccc32)cc1C#N ZINC000191367790 375619315 /nfs/dbraw/zinc/61/93/15/375619315.db2.gz UNRUHRAIPAXZLY-KRWDZBQOSA-N 0 3 279.387 3.409 20 30 CGEDHN C=CCOCCCN1CC[C@@](F)(c2ccccc2C)C1 ZINC000502952355 375648188 /nfs/dbraw/zinc/64/81/88/375648188.db2.gz LDWFYEHVTVENON-KRWDZBQOSA-N 0 3 277.383 3.458 20 30 CGEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1sccc1C#N ZINC000192624010 375772616 /nfs/dbraw/zinc/77/26/16/375772616.db2.gz HSLPVUIMQBWNMP-DGCLKSJQSA-N 0 3 291.420 3.069 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000336465189 375797572 /nfs/dbraw/zinc/79/75/72/375797572.db2.gz WWLVXGJYSHFSEU-UWVGGRQHSA-N 0 3 258.346 3.238 20 30 CGEDHN C=CCCCCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511627375 375791490 /nfs/dbraw/zinc/79/14/90/375791490.db2.gz NDTSNRFTALUBGG-CHWSQXEVSA-N 0 3 279.346 3.226 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000336549224 375824562 /nfs/dbraw/zinc/82/45/62/375824562.db2.gz XPDNFIHTUDOQIM-SMDDNHRTSA-N 0 3 260.312 3.039 20 30 CGEDHN C=CCOCCNC1(c2ccc(F)cc2)CCCC1 ZINC000519808290 375851568 /nfs/dbraw/zinc/85/15/68/375851568.db2.gz HNBUBXDTLHFKSN-UHFFFAOYSA-N 0 3 263.356 3.387 20 30 CGEDHN C[C@H]1CSC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000336586222 375852834 /nfs/dbraw/zinc/85/28/34/375852834.db2.gz MHNLHPVVXMKMLJ-TVQRCGJNSA-N 0 3 266.797 3.053 20 30 CGEDHN Cc1cc(CN[C@H]2CCCc3[nH]c(=O)ccc32)ccc1C#N ZINC000336619899 375880404 /nfs/dbraw/zinc/88/04/04/375880404.db2.gz CPIWFKRBMOPZQG-INIZCTEOSA-N 0 3 293.370 3.135 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)S[C@H](C)C1 ZINC000527482110 375893277 /nfs/dbraw/zinc/89/32/77/375893277.db2.gz HQRMATSGCIJDFN-JHJVBQTASA-N 0 3 260.406 3.445 20 30 CGEDHN COCCC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000527938020 375895036 /nfs/dbraw/zinc/89/50/36/375895036.db2.gz XSCGPHCQKQWCFK-CQSZACIVSA-N 0 3 272.392 3.368 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCC12CC2 ZINC000528906629 375914545 /nfs/dbraw/zinc/91/45/45/375914545.db2.gz FUCBBLULPVUGNU-OLZOCXBDSA-N 0 3 293.370 3.330 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2cc(C)ccc2C)C1=O ZINC000337155890 376104014 /nfs/dbraw/zinc/10/40/14/376104014.db2.gz OIIRXYWWRYYEJO-ZWKOTPCHSA-N 0 3 298.430 3.227 20 30 CGEDHN CCCCCC(=O)NC1CCN(CCC(C)(C)C#N)CC1 ZINC000539588192 376320849 /nfs/dbraw/zinc/32/08/49/376320849.db2.gz HOSGYHMOWXHJDZ-UHFFFAOYSA-N 0 3 293.455 3.087 20 30 CGEDHN C=CCc1cc(CN2C[C@H](C)C[C@H]2C)cc(OC)c1O ZINC000539837886 376340299 /nfs/dbraw/zinc/34/02/99/376340299.db2.gz BHXONIXLPVXZCZ-CHWSQXEVSA-N 0 3 275.392 3.360 20 30 CGEDHN CSC1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000227945397 376419326 /nfs/dbraw/zinc/41/93/26/376419326.db2.gz XPSCRWQRFPOWMT-UHFFFAOYSA-N 0 3 264.369 3.073 20 30 CGEDHN C[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccc(C#N)c(F)c1 ZINC000540768044 376395518 /nfs/dbraw/zinc/39/55/18/376395518.db2.gz SBTMSDAYTOEHSJ-MLGOLLRUSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCn1c(C)nnc1SC[C@H]1CCCCN1C(C)C ZINC000339117396 376691832 /nfs/dbraw/zinc/69/18/32/376691832.db2.gz SJOMSNOAPVBREY-CQSZACIVSA-N 0 3 294.468 3.128 20 30 CGEDHN C=CCOCCN1CCC(F)(c2ccccc2)CC1 ZINC000339134631 376701375 /nfs/dbraw/zinc/70/13/75/376701375.db2.gz FVSSSXMMXKFXNE-UHFFFAOYSA-N 0 3 263.356 3.150 20 30 CGEDHN CCCn1nccc1C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339157820 376716595 /nfs/dbraw/zinc/71/65/95/376716595.db2.gz VXLSTRMUSAESJR-GOEBONIOSA-N 0 3 286.423 3.165 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](CC3CC3)C2)ccc1F ZINC000339678571 376803828 /nfs/dbraw/zinc/80/38/28/376803828.db2.gz HYZGDQARJOFVAC-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN N#CC(C(=O)c1cccc(C2CCC2)c1)c1ccncn1 ZINC000545265695 376804894 /nfs/dbraw/zinc/80/48/94/376804894.db2.gz DRYFPZRWLRJESO-HNNXBMFYSA-N 0 3 277.327 3.234 20 30 CGEDHN C=CCOCCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000555376880 376856230 /nfs/dbraw/zinc/85/62/30/376856230.db2.gz DMMGBCKOBIHQPF-XJKSGUPXSA-N 0 3 263.356 3.411 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000245926692 376937157 /nfs/dbraw/zinc/93/71/57/376937157.db2.gz IBLKXOAYUXETCT-DOTOQJQBSA-N 0 3 289.806 3.192 20 30 CGEDHN C[C@H](NCCN1CCc2ccccc21)c1ccc(C#N)cc1 ZINC000561454986 377229132 /nfs/dbraw/zinc/22/91/32/377229132.db2.gz LCPWDAHTBGMSAE-HNNXBMFYSA-N 0 3 291.398 3.272 20 30 CGEDHN N#CC1(CCN2CC[C@H](OC(F)F)C2)CCCCC1 ZINC000562707379 377351220 /nfs/dbraw/zinc/35/12/20/377351220.db2.gz QPHLSESTLGUPMM-LBPRGKRZSA-N 0 3 272.339 3.164 20 30 CGEDHN C#CCCN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000264968915 190148627 /nfs/dbraw/zinc/14/86/27/190148627.db2.gz QEANZAFTRCZAMP-JTQLQIEISA-N 0 3 263.291 3.105 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000248824451 377406790 /nfs/dbraw/zinc/40/67/90/377406790.db2.gz LRLLXKLKZKWDKL-XBVQOTNRSA-N 0 3 270.376 3.189 20 30 CGEDHN CO[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248873777 377418708 /nfs/dbraw/zinc/41/87/08/377418708.db2.gz QWGFTDMTLZTUTR-FVQBIDKESA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCSCCNCc1nc(C(C)C)n2ccccc12 ZINC000567172007 377503699 /nfs/dbraw/zinc/50/36/99/377503699.db2.gz ZKGLRXXYLAADHQ-UHFFFAOYSA-N 0 3 289.448 3.467 20 30 CGEDHN C[C@H]1CCN(CCC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000567791302 377509800 /nfs/dbraw/zinc/50/98/00/377509800.db2.gz MZACWTQVJCUEBP-UONOGXRCSA-N 0 3 294.439 3.226 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000569142587 377527037 /nfs/dbraw/zinc/52/70/37/377527037.db2.gz AXXXQCMHZFZDLE-JJRVBVJISA-N 0 3 292.423 3.427 20 30 CGEDHN C=CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1ccccc1 ZINC000569864902 377530797 /nfs/dbraw/zinc/53/07/97/377530797.db2.gz FTNKPLBKHMFBFC-RCCFBDPRSA-N 0 3 298.430 3.041 20 30 CGEDHN C=CC[C@H](C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1ccccc1 ZINC000569864901 377530995 /nfs/dbraw/zinc/53/09/95/377530995.db2.gz FTNKPLBKHMFBFC-KSZLIROESA-N 0 3 298.430 3.041 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccnc3ccccc23)C1 ZINC000573594354 377558398 /nfs/dbraw/zinc/55/83/98/377558398.db2.gz YBVKUBNJSGFQFX-OCCSQVGLSA-N 0 3 251.333 3.017 20 30 CGEDHN CCCCCCCCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000731019039 572389965 /nfs/dbraw/zinc/38/99/65/572389965.db2.gz CREAQRORPSHWSQ-INIZCTEOSA-N 0 3 280.456 3.338 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccccc1Br ZINC000181572205 542219255 /nfs/dbraw/zinc/21/92/55/542219255.db2.gz OVSIXEFCXNMFLU-NWDGAFQWSA-N 0 3 298.224 3.427 20 30 CGEDHN C=CCCN(C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000343458308 377985546 /nfs/dbraw/zinc/98/55/46/377985546.db2.gz CDLKVEDAQUINMW-UHFFFAOYSA-N 0 3 273.355 3.078 20 30 CGEDHN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000264593530 377990074 /nfs/dbraw/zinc/99/00/74/377990074.db2.gz HIIIYKZFOFNPFC-CQSZACIVSA-N 0 3 296.370 3.488 20 30 CGEDHN C[C@H]1c2ccccc2CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000268630028 378083368 /nfs/dbraw/zinc/08/33/68/378083368.db2.gz BLCJEMJXKWKSRM-LIRRHRJNSA-N 0 3 292.382 3.211 20 30 CGEDHN CCOc1cc2nccc(NCCCC#N)c2cc1OCC ZINC000343611214 378040128 /nfs/dbraw/zinc/04/01/28/378040128.db2.gz USZYIVJWVYPDKS-UHFFFAOYSA-N 0 3 299.374 3.170 20 30 CGEDHN C=CCCCCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000578428621 378067773 /nfs/dbraw/zinc/06/77/73/378067773.db2.gz ZXEYILHRMFCEFT-ZDUSSCGKSA-N 0 3 253.777 3.140 20 30 CGEDHN C=CCC[C@@H](O)CN1CC(C)(C)[C@H]1c1cccs1 ZINC000578901609 378111762 /nfs/dbraw/zinc/11/17/62/378111762.db2.gz VUEHXZMQIINFFI-TZMCWYRMSA-N 0 3 265.422 3.458 20 30 CGEDHN CN(Cc1cccc(C#N)c1F)C[C@@H]1CC=CCC1 ZINC000344012440 378153743 /nfs/dbraw/zinc/15/37/43/378153743.db2.gz CARMPVQWJHENSO-CYBMUJFWSA-N 0 3 258.340 3.485 20 30 CGEDHN Cc1ccnc([C@H]2CCN(Cc3ccc(C#N)cc3)C2)c1 ZINC000579369629 378153943 /nfs/dbraw/zinc/15/39/43/378153943.db2.gz HZKMLMSUQCECNH-KRWDZBQOSA-N 0 3 277.371 3.251 20 30 CGEDHN Cc1ccnc([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)c1 ZINC000579369630 378154319 /nfs/dbraw/zinc/15/43/19/378154319.db2.gz HZKMLMSUQCECNH-QGZVFWFLSA-N 0 3 277.371 3.251 20 30 CGEDHN CN(CCCN(C)c1ccc(C#N)cc1)Cc1ccco1 ZINC000343804367 378097921 /nfs/dbraw/zinc/09/79/21/378097921.db2.gz HKBJVGKJPBBEQF-UHFFFAOYSA-N 0 3 283.375 3.110 20 30 CGEDHN C=C(CNCc1c(C)nc2ccccn21)c1ccccc1 ZINC000343818484 378102316 /nfs/dbraw/zinc/10/23/16/378102316.db2.gz VZRDBRONXUYUQT-UHFFFAOYSA-N 0 3 277.371 3.446 20 30 CGEDHN CC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cn1 ZINC000578827624 378104412 /nfs/dbraw/zinc/10/44/12/378104412.db2.gz ZYQVDTVDAJJZIT-GOSISDBHSA-N 0 3 279.387 3.406 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(C)nc2)cc1 ZINC000268778061 378107402 /nfs/dbraw/zinc/10/74/02/378107402.db2.gz OUWQMIDFFRHCGN-HNNXBMFYSA-N 0 3 280.371 3.253 20 30 CGEDHN CCN1C[C@H](C)N(c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000345161093 378209129 /nfs/dbraw/zinc/20/91/29/378209129.db2.gz JOOWTYOFUCOGSO-RYUDHWBXSA-N 0 3 277.799 3.131 20 30 CGEDHN C[C@@H](CCc1cccn1C)NCc1ccc(C#N)cc1F ZINC000269418445 378219466 /nfs/dbraw/zinc/21/94/66/378219466.db2.gz LDPTXZGEWCKIER-ZDUSSCGKSA-N 0 3 285.366 3.147 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CCN(C2CCC2)CC1 ZINC000268941070 378157609 /nfs/dbraw/zinc/15/76/09/378157609.db2.gz BINHTOGAWIHQEQ-UHFFFAOYSA-N 0 3 297.446 3.158 20 30 CGEDHN CN(CC1(C#N)CC1)C1CCC(C(F)(F)F)CC1 ZINC000344139145 378161132 /nfs/dbraw/zinc/16/11/32/378161132.db2.gz YJAVKWGTACBLLB-UHFFFAOYSA-N 0 3 260.303 3.343 20 30 CGEDHN CN(CCc1ccccc1O)Cc1ccc(CC#N)cc1 ZINC000344215072 378163518 /nfs/dbraw/zinc/16/35/18/378163518.db2.gz PLMXWRLRRPIEGW-UHFFFAOYSA-N 0 3 280.371 3.133 20 30 CGEDHN CC(C)[C@@H]1OCCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000269470604 378225952 /nfs/dbraw/zinc/22/59/52/378225952.db2.gz ZZFBQVITWRMYNT-RDJZCZTQSA-N 0 3 290.382 3.238 20 30 CGEDHN C=CCN(CCCn1ccnc1C)Cc1cccc(C#N)c1 ZINC000269675885 378252964 /nfs/dbraw/zinc/25/29/64/378252964.db2.gz CEYRERGYMVTUGP-UHFFFAOYSA-N 0 3 294.402 3.142 20 30 CGEDHN CCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000270779009 378398965 /nfs/dbraw/zinc/39/89/65/378398965.db2.gz OCCGZCDCZCIAHP-HNNXBMFYSA-N 0 3 287.407 3.054 20 30 CGEDHN Cc1ccncc1[C@@H](C)NCCCOc1cccc(C#N)c1 ZINC000611939783 378406141 /nfs/dbraw/zinc/40/61/41/378406141.db2.gz OJSVIFAINHHGLE-OAHLLOKOSA-N 0 3 295.386 3.381 20 30 CGEDHN C[C@@H](C[C@@H](O)c1ccccc1)NCc1ccc(C#N)cc1F ZINC000270672373 378386051 /nfs/dbraw/zinc/38/60/51/378386051.db2.gz QQGUSDRLQCCIPP-SCLBCKFNSA-N 0 3 298.361 3.299 20 30 CGEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](CC)N(CC)CC ZINC000345978979 378428466 /nfs/dbraw/zinc/42/84/66/378428466.db2.gz BHLGEWQLGMXLPR-QGZVFWFLSA-N 0 3 288.435 3.322 20 30 CGEDHN C[C@H](NC[C@](C)(O)c1ccsc1)c1cccc(C#N)c1 ZINC000271911553 378515458 /nfs/dbraw/zinc/51/54/58/378515458.db2.gz YAVAIAQITGDWBX-LRDDRELGSA-N 0 3 286.400 3.178 20 30 CGEDHN C[C@@H](NC[C@@H]1CSCCS1)c1ccc(C#N)c(F)c1 ZINC000271924185 378518205 /nfs/dbraw/zinc/51/82/05/378518205.db2.gz FTHVWWZVRRBDBD-ZWNOBZJWSA-N 0 3 296.436 3.197 20 30 CGEDHN C[C@H](N[C@@H](C)c1cccc(CO)c1)c1ccc(C#N)cc1 ZINC000271971370 378532975 /nfs/dbraw/zinc/53/29/75/378532975.db2.gz NGCZOFFALVKRAH-KBPBESRZSA-N 0 3 280.371 3.462 20 30 CGEDHN C=CCN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272224182 378589190 /nfs/dbraw/zinc/58/91/90/378589190.db2.gz LDBHTXPIQHUTAX-AWEZNQCLSA-N 0 3 274.412 3.218 20 30 CGEDHN Cc1cc2c(cc1C)[C@@H](NCCCC#N)CCCO2 ZINC000346804291 378689169 /nfs/dbraw/zinc/68/91/69/378689169.db2.gz GXRXCVVEXRQJNK-HNNXBMFYSA-N 0 3 258.365 3.411 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000347586652 378721797 /nfs/dbraw/zinc/72/17/97/378721797.db2.gz VENGWJAHISCBTM-IRXDYDNUSA-N 0 3 285.435 3.275 20 30 CGEDHN C=CCOCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000348039183 378762108 /nfs/dbraw/zinc/76/21/08/378762108.db2.gz VGLLSIDPJLFTET-UHFFFAOYSA-N 0 3 290.363 3.152 20 30 CGEDHN C=CCOCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000348046330 378764744 /nfs/dbraw/zinc/76/47/44/378764744.db2.gz JDQABVIIDRZBII-UHFFFAOYSA-N 0 3 282.387 3.240 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CCOC(C)C ZINC000348206663 378839648 /nfs/dbraw/zinc/83/96/48/378839648.db2.gz RCHDBAGUDJRATK-GOSISDBHSA-N 0 3 291.435 3.241 20 30 CGEDHN C=CCCCCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000274566583 378852164 /nfs/dbraw/zinc/85/21/64/378852164.db2.gz HXQPFQAACIOZEA-UHFFFAOYSA-N 0 3 294.351 3.058 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)c1cccc2c1CCNC2 ZINC000638866771 378942117 /nfs/dbraw/zinc/94/21/17/378942117.db2.gz VHKUNQBRFVHCDF-UHFFFAOYSA-N 0 3 286.419 3.055 20 30 CGEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1F ZINC000348378626 378933846 /nfs/dbraw/zinc/93/38/46/378933846.db2.gz JXWGGYKSGBDOPD-LLVKDONJSA-N 0 3 262.328 3.179 20 30 CGEDHN COCCCC[C@H](NCCCC#N)c1ccccc1 ZINC000348330740 378912971 /nfs/dbraw/zinc/91/29/71/378912971.db2.gz PQAZYAMZGAVGLS-INIZCTEOSA-N 0 3 260.381 3.438 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000638875424 378944292 /nfs/dbraw/zinc/94/42/92/378944292.db2.gz SRHDFPGCEQZQQL-HOCLYGCPSA-N 0 3 288.435 3.431 20 30 CGEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1cc(C#N)n(C)c1 ZINC000276724907 378985710 /nfs/dbraw/zinc/98/57/10/378985710.db2.gz CASOMWOJHXMPKE-SFHVURJKSA-N 0 3 295.386 3.073 20 30 CGEDHN C=C[C@H]1CCCCN1[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111899 379035989 /nfs/dbraw/zinc/03/59/89/379035989.db2.gz KQIINMAMSNSBQY-GJZGRUSLSA-N 0 3 274.412 3.467 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](c1ccc(C)o1)C1CCC1 ZINC000349775152 379376996 /nfs/dbraw/zinc/37/69/96/379376996.db2.gz KBILVQKPMXAXKA-BBRMVZONSA-N 0 3 263.381 3.203 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(OC(F)F)c2)C1 ZINC000349804411 379392300 /nfs/dbraw/zinc/39/23/00/379392300.db2.gz SFAOTEUKQROTPJ-PWSUYJOCSA-N 0 3 266.291 3.070 20 30 CGEDHN COc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC(F)F ZINC000349830008 379408873 /nfs/dbraw/zinc/40/88/73/379408873.db2.gz QCHFRIFMGAYMSK-PWSUYJOCSA-N 0 3 296.317 3.078 20 30 CGEDHN Cn1cc([C@@H](NCCCC(C)(C)C#N)c2ccccc2)cn1 ZINC000374625972 379471229 /nfs/dbraw/zinc/47/12/29/379471229.db2.gz DGDQLWBLKOYTAQ-KRWDZBQOSA-N 0 3 296.418 3.429 20 30 CGEDHN C=CCN[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000374825859 379477885 /nfs/dbraw/zinc/47/78/85/379477885.db2.gz QIXWGZKLWCZOBN-HZPDHXFCSA-N 0 3 280.362 3.264 20 30 CGEDHN C=CCN[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374825857 379478152 /nfs/dbraw/zinc/47/81/52/379478152.db2.gz QIXWGZKLWCZOBN-HOTGVXAUSA-N 0 3 280.362 3.264 20 30 CGEDHN C=CCN[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374825850 379478302 /nfs/dbraw/zinc/47/83/02/379478302.db2.gz QIXWGZKLWCZOBN-CVEARBPZSA-N 0 3 280.362 3.264 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C2CC2)O1 ZINC000375907812 379518263 /nfs/dbraw/zinc/51/82/63/379518263.db2.gz ZHSZABPESYZATH-HIFRSBDPSA-N 0 3 264.413 3.206 20 30 CGEDHN C=CCOCCN1CCC2(CC1)c1ccccc1N=C2C ZINC000639729643 379560221 /nfs/dbraw/zinc/56/02/21/379560221.db2.gz RLIQGNRHLCQZOQ-UHFFFAOYSA-N 0 3 284.403 3.329 20 30 CGEDHN C#CCCCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000280150774 379622969 /nfs/dbraw/zinc/62/29/69/379622969.db2.gz RMDBBVDKTSQDRO-SFHVURJKSA-N 0 3 264.372 3.482 20 30 CGEDHN C=C(C)CCN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000352006608 379750264 /nfs/dbraw/zinc/75/02/64/379750264.db2.gz UUVCBHYMRIYEKK-INIZCTEOSA-N 0 3 272.392 3.080 20 30 CGEDHN CN1Cc2ccccc2[C@H](Nc2ccc(C#N)cc2)C1 ZINC000378267934 379797314 /nfs/dbraw/zinc/79/73/14/379797314.db2.gz DJMCHXANEZAEPP-QGZVFWFLSA-N 0 3 263.344 3.157 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(F)c(F)cc1F ZINC000280768785 379784576 /nfs/dbraw/zinc/78/45/76/379784576.db2.gz ZJCOBSGXBDGNTM-BONVTDFDSA-N 0 3 285.309 3.175 20 30 CGEDHN C=CC[C@@H](CC)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000281641283 379842134 /nfs/dbraw/zinc/84/21/34/379842134.db2.gz PAEANKOCJGLBFE-HUUCEWRRSA-N 0 3 295.448 3.102 20 30 CGEDHN C=CCCCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640564656 379823287 /nfs/dbraw/zinc/82/32/87/379823287.db2.gz SCNJJTBNBZFOFF-KGLIPLIRSA-N 0 3 287.325 3.077 20 30 CGEDHN C=C(C)CCNCc1ccc(OC)c(OC)c1Cl ZINC000395693846 379921184 /nfs/dbraw/zinc/92/11/84/379921184.db2.gz ACJHJIXQHJMJNI-UHFFFAOYSA-N 0 3 269.772 3.413 20 30 CGEDHN CC(C)[C@H]1CCCC[C@H]1NCc1nc(C#N)cs1 ZINC000395336604 379921900 /nfs/dbraw/zinc/92/19/00/379921900.db2.gz WUWXGZZHNPYGKO-CHWSQXEVSA-N 0 3 263.410 3.319 20 30 CGEDHN C[C@H]1CN(CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000396596024 379922064 /nfs/dbraw/zinc/92/20/64/379922064.db2.gz ZQTRHFOHVOWFGH-INIZCTEOSA-N 0 3 285.435 3.133 20 30 CGEDHN CO[C@@H]([C@H](C)N[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000388325741 379885988 /nfs/dbraw/zinc/88/59/88/379885988.db2.gz ZIEHRSLTSVGGQI-WQGACYEGSA-N 0 3 258.365 3.022 20 30 CGEDHN C[C@@H]1CC(C)(C)CC[C@H]1NCc1nc(C#N)cs1 ZINC000352811764 379975773 /nfs/dbraw/zinc/97/57/73/379975773.db2.gz UDJPCQMXCOOHNY-ZYHUDNBSSA-N 0 3 263.410 3.319 20 30 CGEDHN CCC(CC)(CC)CNCc1nc(C#N)cs1 ZINC000352812413 379977158 /nfs/dbraw/zinc/97/71/58/379977158.db2.gz YWLKQQDYBKRTAM-UHFFFAOYSA-N 0 3 251.399 3.321 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000411313471 380139747 /nfs/dbraw/zinc/13/97/47/380139747.db2.gz XTPNYALVIGKUQV-FUHWJXTLSA-N 0 3 286.419 3.402 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@]1(C#N)C[C@H]1C ZINC000410594710 380107132 /nfs/dbraw/zinc/10/71/32/380107132.db2.gz VFQSIKOTZQOEJR-RDTXWAMCSA-N 0 3 297.402 3.079 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000411143407 380132263 /nfs/dbraw/zinc/13/22/63/380132263.db2.gz HZEPQBNXTNUOBB-HUUCEWRRSA-N 0 3 285.391 3.029 20 30 CGEDHN C=C(C)CCN(CC(=O)N1CCCCCC1)C(C)C ZINC000353202034 380165301 /nfs/dbraw/zinc/16/53/01/380165301.db2.gz IVBVKPDUMTUGPT-UHFFFAOYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ccncn1 ZINC000414303438 380211598 /nfs/dbraw/zinc/21/15/98/380211598.db2.gz PHZKSQCYNHTCJD-GDBMZVCRSA-N 0 3 267.376 3.315 20 30 CGEDHN CN(CCSc1cccc(C#N)n1)Cc1ccccc1 ZINC000279074967 194273459 /nfs/dbraw/zinc/27/34/59/194273459.db2.gz MAEABXBNHSXLQG-UHFFFAOYSA-N 0 3 283.400 3.177 20 30 CGEDHN C=C(CNC[C@@H](O)COc1ccccc1C)c1ccccc1 ZINC000644647224 380469679 /nfs/dbraw/zinc/46/96/79/380469679.db2.gz JDIKXQREJFNMIE-GOSISDBHSA-N 0 3 297.398 3.038 20 30 CGEDHN CN(CCSc1ccc(C#N)cn1)Cc1ccccc1 ZINC000279176890 194319676 /nfs/dbraw/zinc/31/96/76/194319676.db2.gz VFMRBIBHVRVIFZ-UHFFFAOYSA-N 0 3 283.400 3.177 20 30 CGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000356071138 380790331 /nfs/dbraw/zinc/79/03/31/380790331.db2.gz ZWVMORGZGWORPW-UHFFFAOYSA-N 0 3 254.255 3.171 20 30 CGEDHN C=CCC(C)(C)c1noc([C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000420505573 380854384 /nfs/dbraw/zinc/85/43/84/380854384.db2.gz RCJVQBHHAMZZPT-RYUDHWBXSA-N 0 3 263.385 3.121 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)c1nccs1 ZINC000421343942 380886838 /nfs/dbraw/zinc/88/68/38/380886838.db2.gz OJNDYUJEEXSGCB-JTQLQIEISA-N 0 3 275.352 3.047 20 30 CGEDHN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@H](CC)O1 ZINC000421397882 380949108 /nfs/dbraw/zinc/94/91/08/380949108.db2.gz YEULGDFDKIAABB-OKILXGFUSA-N 0 3 252.402 3.206 20 30 CGEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCCCC2)cc1F ZINC000421388456 380935454 /nfs/dbraw/zinc/93/54/54/380935454.db2.gz VVJJOLYLHOVYOG-MRXNPFEDSA-N 0 3 290.382 3.118 20 30 CGEDHN CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1OC ZINC000357556526 381207145 /nfs/dbraw/zinc/20/71/45/381207145.db2.gz UXMXYBDINMWTAJ-WFASDCNBSA-N 0 3 258.365 3.330 20 30 CGEDHN C=CC[C@H](C)N[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000358044147 381289101 /nfs/dbraw/zinc/28/91/01/381289101.db2.gz XPSSTHZOFQOGIA-STQMWFEESA-N 0 3 270.380 3.191 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000334804201 207106046 /nfs/dbraw/zinc/10/60/46/207106046.db2.gz LFZXQNJCQKBAJK-GOEBONIOSA-N 0 3 290.794 3.213 20 30 CGEDHN C=C(CC)CN1CCC(n2cc(Br)cn2)CC1 ZINC000358507052 381314284 /nfs/dbraw/zinc/31/42/84/381314284.db2.gz KPCIBPPTJACDPW-UHFFFAOYSA-N 0 3 298.228 3.249 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359551531 381352787 /nfs/dbraw/zinc/35/27/87/381352787.db2.gz FMNHHLMFNHVRBQ-BQFCYCMXSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(n2cccn2)CC1 ZINC000361503193 381778267 /nfs/dbraw/zinc/77/82/67/381778267.db2.gz KTXKDOLKNYCGEN-AWEZNQCLSA-N 0 3 280.375 3.153 20 30 CGEDHN C=C(CC)CN1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000362190277 381904160 /nfs/dbraw/zinc/90/41/60/381904160.db2.gz LNXLQKSUIYMLCI-CQSZACIVSA-N 0 3 253.386 3.006 20 30 CGEDHN C=CCNC(=O)[C@H](C)N1CCCC2(C1)CCCCCC2 ZINC000362380329 381964985 /nfs/dbraw/zinc/96/49/85/381964985.db2.gz PQABCQAPWZQGNE-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCCCC(=O)Nc1cccc(CN(CC)CC)c1 ZINC000192164486 533025986 /nfs/dbraw/zinc/02/59/86/533025986.db2.gz DHNUFGZWGBYJBP-UHFFFAOYSA-N 0 3 272.392 3.270 20 30 CGEDHN Cc1cc(N)cc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000335359633 208271850 /nfs/dbraw/zinc/27/18/50/208271850.db2.gz KRGCYCFQIVSKDF-GOSISDBHSA-N 0 3 277.371 3.226 20 30 CGEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335382328 208325223 /nfs/dbraw/zinc/32/52/23/208325223.db2.gz YRTFJOYFJXQFIV-WMLDXEAASA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@H]1[C@@H](Nc2ncccc2C#N)CCN1Cc1ccccc1 ZINC000288289394 197044605 /nfs/dbraw/zinc/04/46/05/197044605.db2.gz RUKMAJYNBUNOPI-YOEHRIQHSA-N 0 3 292.386 3.028 20 30 CGEDHN C=CCOCCNCc1cc(Cl)cc(Cl)c1 ZINC000303550531 542415673 /nfs/dbraw/zinc/41/56/73/542415673.db2.gz MOQQGAIGORUTOQ-UHFFFAOYSA-N 0 3 260.164 3.286 20 30 CGEDHN C=CCOCCN[C@H]1CCc2cc(Cl)ccc21 ZINC000310215567 542427625 /nfs/dbraw/zinc/42/76/25/542427625.db2.gz IPQBKQKELYLQQR-AWEZNQCLSA-N 0 3 251.757 3.120 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000353200726 542555341 /nfs/dbraw/zinc/55/53/41/542555341.db2.gz CKASZPAHHHGODP-WMZOPIPTSA-N 0 3 298.430 3.270 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)[C@H]2CCCCO2)cc1 ZINC000381718269 542597817 /nfs/dbraw/zinc/59/78/17/542597817.db2.gz TXMICHFNSIITBU-WMLDXEAASA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)[C@@H]2CCCCO2)cc1 ZINC000381718270 542598159 /nfs/dbraw/zinc/59/81/59/542598159.db2.gz TXMICHFNSIITBU-YOEHRIQHSA-N 0 3 275.392 3.299 20 30 CGEDHN CCC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000048336939 391997098 /nfs/dbraw/zinc/99/70/98/391997098.db2.gz DAHUFFBRAUKVFC-UHFFFAOYSA-N 0 3 258.365 3.059 20 30 CGEDHN C=CCCN[C@H]1CCOc2c(Br)cccc21 ZINC000282104276 392282920 /nfs/dbraw/zinc/28/29/20/392282920.db2.gz PODPVKWWZYABRD-LBPRGKRZSA-N 0 3 282.181 3.438 20 30 CGEDHN C=CCC[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)c1ccco1 ZINC000285513934 392325567 /nfs/dbraw/zinc/32/55/67/392325567.db2.gz AVESJYRPGPZVRL-KBMXLJTQSA-N 0 3 274.408 3.359 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2ccc(F)cc21 ZINC000453331592 542680988 /nfs/dbraw/zinc/68/09/88/542680988.db2.gz BWAGPJIWMFHGFT-OAGGEKHMSA-N 0 3 261.340 3.136 20 30 CGEDHN C=CCC[C@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000286158955 392376850 /nfs/dbraw/zinc/37/68/50/392376850.db2.gz PGRFWLXSBVAESG-BBRMVZONSA-N 0 3 283.375 3.128 20 30 CGEDHN C=CCCCCN[C@H](C)c1cc(OC)ncc1F ZINC000286858501 392389509 /nfs/dbraw/zinc/38/95/09/392389509.db2.gz ACRFTCYNEYRQML-LLVKDONJSA-N 0 3 252.333 3.236 20 30 CGEDHN CC#CCCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000155978652 392545149 /nfs/dbraw/zinc/54/51/49/392545149.db2.gz UEXGGQHSDJLMJF-KBPBESRZSA-N 0 3 263.406 3.049 20 30 CGEDHN CCCC[C@H](COC)N[C@@H](C)c1ccc(C#N)cc1 ZINC000174112621 392636136 /nfs/dbraw/zinc/63/61/36/392636136.db2.gz ZWOAOFMGDBACJB-XJKSGUPXSA-N 0 3 260.381 3.414 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183355693 392755496 /nfs/dbraw/zinc/75/54/96/392755496.db2.gz GTWRTTSFNKTIGK-SFHVURJKSA-N 0 3 296.345 3.351 20 30 CGEDHN C=CCOc1ccc(CN(C)C2CC2)cc1Cl ZINC000179303969 392695632 /nfs/dbraw/zinc/69/56/32/392695632.db2.gz GCZLCTJMSMCYOR-UHFFFAOYSA-N 0 3 251.757 3.499 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000334230804 392712159 /nfs/dbraw/zinc/71/21/59/392712159.db2.gz SKLVPISTCMXHKH-KSSFIOAISA-N 0 3 290.366 3.320 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)Cc1ccc(C#N)cc1 ZINC000186161843 392778901 /nfs/dbraw/zinc/77/89/01/392778901.db2.gz CGZIJXZCEQIYLV-UHFFFAOYSA-N 0 3 275.355 3.370 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000335365967 392791135 /nfs/dbraw/zinc/79/11/35/392791135.db2.gz CXFDZNXQILOUBI-FZMZJTMJSA-N 0 3 256.349 3.075 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000188378636 392798846 /nfs/dbraw/zinc/79/88/46/392798846.db2.gz ALFVGOGAJIWROS-GOSISDBHSA-N 0 3 286.419 3.118 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](C)OC)cc1Cl ZINC000191153535 392822433 /nfs/dbraw/zinc/82/24/33/392822433.db2.gz XWSQYMQRTJQBRT-LLVKDONJSA-N 0 3 269.772 3.029 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338362117 392912715 /nfs/dbraw/zinc/91/27/15/392912715.db2.gz TWUDQUMANFOYTH-STQMWFEESA-N 0 3 291.357 3.368 20 30 CGEDHN N#Cc1ccc(F)cc1CN1CCC[C@H]1C1CCOCC1 ZINC000336387060 392852780 /nfs/dbraw/zinc/85/27/80/392852780.db2.gz JYZIFPSZIRKEIS-KRWDZBQOSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@@H]1C[C@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000525410475 392937229 /nfs/dbraw/zinc/93/72/29/392937229.db2.gz HMAGVPIKFDEGHS-OLZOCXBDSA-N 0 3 253.349 3.041 20 30 CGEDHN C=CCOCCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000338995342 392938987 /nfs/dbraw/zinc/93/89/87/392938987.db2.gz FYEVYWWPWHXQRW-INIZCTEOSA-N 0 3 277.433 3.288 20 30 CGEDHN C=CCOCCN1CCC(c2ccc(OC)cc2)CC1 ZINC000339011689 392941416 /nfs/dbraw/zinc/94/14/16/392941416.db2.gz WIFURPQKNJDELI-UHFFFAOYSA-N 0 3 275.392 3.077 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@]3(C2)OCc2ccccc23)C1 ZINC000339090976 392947309 /nfs/dbraw/zinc/94/73/09/392947309.db2.gz KVLORSVQGFZGIR-HFTRVMKXSA-N 0 3 282.387 3.200 20 30 CGEDHN C=CCOCCN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000339080756 392946049 /nfs/dbraw/zinc/94/60/49/392946049.db2.gz NDXAXAJELONSNL-KGLIPLIRSA-N 0 3 275.392 3.205 20 30 CGEDHN CCN(CCC1(C#N)CCCCC1)C[C@H](C)OC ZINC000411741554 392985968 /nfs/dbraw/zinc/98/59/68/392985968.db2.gz ADNJCKHXVIDIFH-AWEZNQCLSA-N 0 3 252.402 3.207 20 30 CGEDHN C=C(C)CCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976618 392993288 /nfs/dbraw/zinc/99/32/88/392993288.db2.gz DPIBNZXPACYLHH-QGZVFWFLSA-N 0 3 271.360 3.063 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000412687928 393006013 /nfs/dbraw/zinc/00/60/13/393006013.db2.gz GKRRMNQBWINQBF-XNISGKROSA-N 0 3 270.376 3.235 20 30 CGEDHN CC(C)(C)[C@@H](CCO)NCc1ccc(C#N)cc1Cl ZINC000221121604 393006353 /nfs/dbraw/zinc/00/63/53/393006353.db2.gz MZPPBHMSIYWOOC-CQSZACIVSA-N 0 3 280.799 3.098 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000342820107 393008276 /nfs/dbraw/zinc/00/82/76/393008276.db2.gz FYCAMBXVSKSCGB-FUHWJXTLSA-N 0 3 287.403 3.395 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@]2(C1)CCCOC2 ZINC000342836075 393010459 /nfs/dbraw/zinc/01/04/59/393010459.db2.gz GATMSBLXIORBLE-SFHVURJKSA-N 0 3 287.403 3.254 20 30 CGEDHN CCCN(CC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413201760 393020281 /nfs/dbraw/zinc/02/02/81/393020281.db2.gz LTHASZMZQBCWQK-UHFFFAOYSA-N 0 3 299.418 3.048 20 30 CGEDHN CC(C)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000231699348 393025098 /nfs/dbraw/zinc/02/50/98/393025098.db2.gz TVDLTDXCEUAHRC-UHFFFAOYSA-N 0 3 272.392 3.305 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266968358 393185277 /nfs/dbraw/zinc/18/52/77/393185277.db2.gz YULJIZGPYWYBFV-CZUORRHYSA-N 0 3 280.375 3.222 20 30 CGEDHN CC[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000278621081 393322551 /nfs/dbraw/zinc/32/25/51/393322551.db2.gz GIEVUWUNOUVNOC-QRWLVFNGSA-N 0 3 292.448 3.146 20 30 CGEDHN CC[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1 ZINC000278816008 393325555 /nfs/dbraw/zinc/32/55/55/393325555.db2.gz SFOLQSSQCMPZOI-FHWLQOOXSA-N 0 3 292.382 3.257 20 30 CGEDHN CN(CCCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000281885137 393364072 /nfs/dbraw/zinc/36/40/72/393364072.db2.gz PQAMQUVPMIYVMU-UHFFFAOYSA-N 0 3 280.371 3.039 20 30 CGEDHN C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427011138 393451722 /nfs/dbraw/zinc/45/17/22/393451722.db2.gz CIXRRMSTVAOMGV-LBPRGKRZSA-N 0 3 267.294 3.399 20 30 CGEDHN Cc1ccsc1[C@H](CO)NCc1ccc(C#N)c(C)c1 ZINC000488101907 393458165 /nfs/dbraw/zinc/45/81/65/393458165.db2.gz VXRLPZYRSGBJAO-HNNXBMFYSA-N 0 3 286.400 3.060 20 30 CGEDHN Cc1cc(CN[C@@H](CCO)c2ccccc2)ccc1C#N ZINC000488156747 393464233 /nfs/dbraw/zinc/46/42/33/393464233.db2.gz LQTWZHCYARSZMV-SFHVURJKSA-N 0 3 280.371 3.080 20 30 CGEDHN COCC1(C)CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488163308 393465439 /nfs/dbraw/zinc/46/54/39/393465439.db2.gz FIJSJMWOURQFPY-UHFFFAOYSA-N 0 3 272.392 3.115 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000429594568 393489746 /nfs/dbraw/zinc/48/97/46/393489746.db2.gz YHLLETDLWDFMID-WFASDCNBSA-N 0 3 258.365 3.187 20 30 CGEDHN Cc1cc(CN2CCS[C@@H](C)[C@@H]2C)ccc1C#N ZINC000488413378 393503989 /nfs/dbraw/zinc/50/39/89/393503989.db2.gz ZIYWSIODTQKDRO-STQMWFEESA-N 0 3 260.406 3.193 20 30 CGEDHN C[C@H]1CC2(CCC2)CN1Cc1ccc(C#N)c(F)c1 ZINC000433263649 393706061 /nfs/dbraw/zinc/70/60/61/393706061.db2.gz WOKQNYVFOGJMFI-LBPRGKRZSA-N 0 3 258.340 3.462 20 30 CGEDHN Cc1cc(CNC[C@H](C)C(F)(F)F)ccc1C#N ZINC000444002275 393782020 /nfs/dbraw/zinc/78/20/20/393782020.db2.gz NFKMKKVEKKMXMW-JTQLQIEISA-N 0 3 256.271 3.155 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(-c2ccco2)s1 ZINC000449546908 393894546 /nfs/dbraw/zinc/89/45/46/393894546.db2.gz FJLCDIXUQOTZAS-OLZOCXBDSA-N 0 3 290.388 3.226 20 30 CGEDHN CCO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451526756 394045661 /nfs/dbraw/zinc/04/56/61/394045661.db2.gz GXZLHXBJZHNDDU-GRDNDAEWSA-N 0 3 272.392 3.366 20 30 CGEDHN C=CCCCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000450689694 394033574 /nfs/dbraw/zinc/03/35/74/394033574.db2.gz FMPLFHWAESCVHY-MRXNPFEDSA-N 0 3 278.440 3.256 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000668492583 543019908 /nfs/dbraw/zinc/01/99/08/543019908.db2.gz DCISPELXAMLPCZ-AWEZNQCLSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000668492453 543020948 /nfs/dbraw/zinc/02/09/48/543020948.db2.gz BDIUULKFTPUCML-ZDUSSCGKSA-N 0 3 261.413 3.495 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1OC ZINC000668676028 543042445 /nfs/dbraw/zinc/04/24/45/543042445.db2.gz LLLMISQXYCKMBD-GJZGRUSLSA-N 0 3 273.376 3.102 20 30 CGEDHN COCC#CCN1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000671722794 543181052 /nfs/dbraw/zinc/18/10/52/543181052.db2.gz WQOIXOPFERGYRD-RDJZCZTQSA-N 0 3 257.377 3.109 20 30 CGEDHN C=CCCCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000735491006 572726425 /nfs/dbraw/zinc/72/64/25/572726425.db2.gz ZRJUCNFFQCYINH-CQSZACIVSA-N 0 3 282.428 3.284 20 30 CGEDHN C=CCC[C@@H](O)CN(CCC)Cc1ccccc1F ZINC000675493428 543344055 /nfs/dbraw/zinc/34/40/55/543344055.db2.gz IDBPBPPELUHPFX-OAHLLOKOSA-N 0 3 265.372 3.365 20 30 CGEDHN C=CCC[C@@H](O)CN(CCOC)Cc1ccc(C)cc1C ZINC000675494236 543344107 /nfs/dbraw/zinc/34/41/07/543344107.db2.gz XFVDSFQWUCYETH-GOSISDBHSA-N 0 3 291.435 3.079 20 30 CGEDHN COCC#CCN1CCC[C@H]1c1cccc(C)c1C ZINC000677818340 543467550 /nfs/dbraw/zinc/46/75/50/543467550.db2.gz ZUSMELOCRGMVBH-KRWDZBQOSA-N 0 3 257.377 3.090 20 30 CGEDHN COCC#CCN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000678753674 543553171 /nfs/dbraw/zinc/55/31/71/543553171.db2.gz JIUQVEQBLGJIQN-KRWDZBQOSA-N 0 3 275.367 3.296 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000678731007 543551633 /nfs/dbraw/zinc/55/16/33/543551633.db2.gz ILELDFBLBPISEP-CXAGYDPISA-N 0 3 259.393 3.153 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000072745017 165073325 /nfs/dbraw/zinc/07/33/25/165073325.db2.gz BIOMDMRZJYYVDD-IRXDYDNUSA-N 0 3 280.375 3.028 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1[C@H](C)CCC[C@H]1C ZINC000077281550 165119666 /nfs/dbraw/zinc/11/96/66/165119666.db2.gz CITXXUGTIDXSNC-ZIAGYGMSSA-N 0 3 288.391 3.209 20 30 CGEDHN CN(CCCOc1cccc(C#N)c1)CCC(F)(F)F ZINC000088420143 165194881 /nfs/dbraw/zinc/19/48/81/165194881.db2.gz CZWWKGJIAWIGLB-UHFFFAOYSA-N 0 3 286.297 3.211 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000177569460 165616832 /nfs/dbraw/zinc/61/68/32/165616832.db2.gz RPIUBRGOYYBUSF-FVQBIDKESA-N 0 3 297.402 3.007 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCCCCC1 ZINC000007390162 170282464 /nfs/dbraw/zinc/28/24/64/170282464.db2.gz YPULHUIFNQXFAE-CQSZACIVSA-N 0 3 285.391 3.151 20 30 CGEDHN C#CCOc1ccccc1CN[C@H]1CCc2ccccc21 ZINC000020130109 171018996 /nfs/dbraw/zinc/01/89/96/171018996.db2.gz HTFPJIGHNMBTBZ-SFHVURJKSA-N 0 3 277.367 3.476 20 30 CGEDHN CN(CCCN(C)Cc1cccc(C#N)c1)Cc1ccco1 ZINC000285478420 196297806 /nfs/dbraw/zinc/29/78/06/196297806.db2.gz BHPASDUJEVOPIG-UHFFFAOYSA-N 0 3 297.402 3.105 20 30 CGEDHN Cc1noc(C)c1C(C)(C)NCCOc1cccc(C#N)c1 ZINC000285647327 196354311 /nfs/dbraw/zinc/35/43/11/196354311.db2.gz MBFDMTKPFDSLAJ-UHFFFAOYSA-N 0 3 299.374 3.067 20 30 CGEDHN C[C@@H](NCCc1ccco1)c1ccc(C#N)c(F)c1 ZINC000128965623 287321773 /nfs/dbraw/zinc/32/17/73/287321773.db2.gz SOYXUSPGPAXPFB-LLVKDONJSA-N 0 3 258.296 3.184 20 30 CGEDHN C=CCCNCc1cc(F)ccc1Br ZINC000070591774 416492188 /nfs/dbraw/zinc/49/21/88/416492188.db2.gz CQUPVVBJUAGRMD-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN C=CCOCCNCc1cccc(OC2CCCC2)c1 ZINC000679486446 543640714 /nfs/dbraw/zinc/64/07/14/543640714.db2.gz MRLGNCIUIARXTF-UHFFFAOYSA-N 0 3 275.392 3.300 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000679576656 543647894 /nfs/dbraw/zinc/64/78/94/543647894.db2.gz QMOCDPYMDDJKLZ-JTQLQIEISA-N 0 3 289.297 3.280 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncc(Cl)s2)CC1 ZINC000680893415 543743749 /nfs/dbraw/zinc/74/37/49/543743749.db2.gz FVMWARACNOQDAS-UHFFFAOYSA-N 0 3 271.817 3.249 20 30 CGEDHN Cc1cccc(C)c1CNCc1cccc(C#N)c1 ZINC000130398751 287354502 /nfs/dbraw/zinc/35/45/02/287354502.db2.gz ZKRWLFOTPMTGAE-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](CC(C)C)c1cccs1 ZINC000680389874 543707221 /nfs/dbraw/zinc/70/72/21/543707221.db2.gz CWSDUDKFCXOESA-STQMWFEESA-N 0 3 253.411 3.362 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccccc2Cl)cc1 ZINC000130641347 287360051 /nfs/dbraw/zinc/36/00/51/287360051.db2.gz OWEMYERPUYHSJY-UHFFFAOYSA-N 0 3 286.762 3.380 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000347129684 226037661 /nfs/dbraw/zinc/03/76/61/226037661.db2.gz HNOGDUCHGRAYNJ-JTQLQIEISA-N 0 3 296.292 3.013 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000347102809 226049588 /nfs/dbraw/zinc/04/95/88/226049588.db2.gz IMZIJWUUDJQAEZ-ZDUSSCGKSA-N 0 3 286.375 3.174 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000347138506 226057940 /nfs/dbraw/zinc/05/79/40/226057940.db2.gz RELZZNVBGZZBGA-DTWKUNHWSA-N 0 3 285.174 3.200 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cscc1Cl ZINC000684767958 544027741 /nfs/dbraw/zinc/02/77/41/544027741.db2.gz VRHWLURIEFGWFI-MFKMUULPSA-N 0 3 271.813 3.472 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCCOc2ccc(F)cc2F)C1 ZINC000192930790 227389776 /nfs/dbraw/zinc/38/97/76/227389776.db2.gz MEEWGJHIQUDAHL-AAEUAGOBSA-N 0 3 280.318 3.016 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000352616064 227113168 /nfs/dbraw/zinc/11/31/68/227113168.db2.gz MTWXDVLTXKYWFZ-GFCCVEGCSA-N 0 3 276.405 3.226 20 30 CGEDHN N#Cc1ccc(CNCCCOC2CCCCC2)s1 ZINC000135672965 287473866 /nfs/dbraw/zinc/47/38/66/287473866.db2.gz OMFSERAKOHBURY-UHFFFAOYSA-N 0 3 278.421 3.449 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)C1(N)CC2(CCC2)C1 ZINC000659247351 418965597 /nfs/dbraw/zinc/96/55/97/418965597.db2.gz VVOVBTNFLNMDFA-UHFFFAOYSA-N 0 3 290.451 3.243 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000656224825 419154811 /nfs/dbraw/zinc/15/48/11/419154811.db2.gz AAZPTFLNKJGCNK-FUHWJXTLSA-N 0 3 297.402 3.190 20 30 CGEDHN C=CCN(Cc1ccc(C)c(OC)c1)[C@H](C)COC ZINC000661239301 419243806 /nfs/dbraw/zinc/24/38/06/419243806.db2.gz DZRSNPKQQOQJKG-CQSZACIVSA-N 0 3 263.381 3.027 20 30 CGEDHN C=CCN(CCc1ccc(F)c(F)c1)[C@H](C)COC ZINC000661244718 419244257 /nfs/dbraw/zinc/24/42/57/419244257.db2.gz XQYJRZFKTCIDHI-GFCCVEGCSA-N 0 3 269.335 3.030 20 30 CGEDHN C[C@@H](CO)[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000661440548 419261697 /nfs/dbraw/zinc/26/16/97/419261697.db2.gz DNNPQQMHULHZAH-YOEHRIQHSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCCCCN[C@@H](COC)c1cccc(OC)c1 ZINC000661468164 419262599 /nfs/dbraw/zinc/26/25/99/419262599.db2.gz AXSXVHABUZZLSP-INIZCTEOSA-N 0 3 263.381 3.329 20 30 CGEDHN C[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@H]1CCO ZINC000661493085 419266246 /nfs/dbraw/zinc/26/62/46/419266246.db2.gz NJFHFZVBYPJVRQ-YOEHRIQHSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncnn1CC(C)C ZINC000661116288 419232277 /nfs/dbraw/zinc/23/22/77/419232277.db2.gz XTBVGJRMONXHJC-LSDHHAIUSA-N 0 3 276.428 3.159 20 30 CGEDHN CC#CCCN1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661712400 419290444 /nfs/dbraw/zinc/29/04/44/419290444.db2.gz QSQHAOORUMLEMQ-KRWDZBQOSA-N 0 3 257.377 3.072 20 30 CGEDHN C=CCCn1cc(CNC2CCC(C(C)C)CC2)nn1 ZINC000657397622 419270480 /nfs/dbraw/zinc/27/04/80/419270480.db2.gz CIHJXBNMLWQODJ-UHFFFAOYSA-N 0 3 276.428 3.159 20 30 CGEDHN C=C(C)CN1CCC2(CCc3ccccc3O2)CC1 ZINC000662050003 419328692 /nfs/dbraw/zinc/32/86/92/419328692.db2.gz MMMJSSXMGALRPD-UHFFFAOYSA-N 0 3 257.377 3.422 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000662084885 419334071 /nfs/dbraw/zinc/33/40/71/419334071.db2.gz XXBCAUATZIEWQD-WCXIOVBPSA-N 0 3 290.451 3.207 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000662084881 419335033 /nfs/dbraw/zinc/33/50/33/419335033.db2.gz XXBCAUATZIEWQD-MWDXBVQZSA-N 0 3 290.451 3.207 20 30 CGEDHN C[C@@]12CCN(Cc3ccc(CC#N)cc3)C[C@@H]1C2(F)F ZINC000336115765 228190038 /nfs/dbraw/zinc/19/00/38/228190038.db2.gz YYGMKWCFVRQMMZ-LSDHHAIUSA-N 0 3 276.330 3.230 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC000336153308 228198316 /nfs/dbraw/zinc/19/83/16/228198316.db2.gz IURBQXZULMMEFA-PBHICJAKSA-N 0 3 270.376 3.116 20 30 CGEDHN C=CCCN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000658113942 419587775 /nfs/dbraw/zinc/58/77/75/419587775.db2.gz JSCMTRHLPNXLEY-JTQLQIEISA-N 0 3 263.772 3.453 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2cc(OC)ccc21 ZINC000090450942 260359975 /nfs/dbraw/zinc/35/99/75/260359975.db2.gz YZXYSKYXJIJJTK-KRWDZBQOSA-N 0 3 275.392 3.255 20 30 CGEDHN COc1cccc([C@H]2C[C@@H](C)CN2CCCC#N)c1 ZINC000360464443 261064515 /nfs/dbraw/zinc/06/45/15/261064515.db2.gz CEAGBUAIQIMSCS-CZUORRHYSA-N 0 3 258.365 3.382 20 30 CGEDHN CC(C)[C@H](NCCCC#N)c1ccc2c(c1)OCCO2 ZINC000161476530 261247710 /nfs/dbraw/zinc/24/77/10/261247710.db2.gz ACSVIFZIASCAAJ-INIZCTEOSA-N 0 3 274.364 3.048 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000192659190 262207847 /nfs/dbraw/zinc/20/78/47/262207847.db2.gz AXBOWBHKCWWDPT-SJLPKXTDSA-N 0 3 294.402 3.103 20 30 CGEDHN CN(CCSCCCSCC#N)Cc1ccccc1 ZINC000193617812 262225035 /nfs/dbraw/zinc/22/50/35/262225035.db2.gz HBZJJJVNORPJKN-UHFFFAOYSA-N 0 3 294.489 3.498 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000054182567 262260270 /nfs/dbraw/zinc/26/02/70/262260270.db2.gz FCGJJXXCPUIFKI-GXTWGEPZSA-N 0 3 274.364 3.018 20 30 CGEDHN N#CCCCN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364890260 262264252 /nfs/dbraw/zinc/26/42/52/262264252.db2.gz VLDKMMAVDDUHJW-UHFFFAOYSA-N 0 3 293.798 3.130 20 30 CGEDHN C=CCCCN(C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000121042704 262266874 /nfs/dbraw/zinc/26/68/74/262266874.db2.gz RMTXWANDTXYGIV-CQSZACIVSA-N 0 3 292.398 3.243 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCCOc2ccccc21 ZINC000414162462 262819082 /nfs/dbraw/zinc/81/90/82/262819082.db2.gz HBMZSUSEUYJMJM-CQSZACIVSA-N 0 3 258.365 3.430 20 30 CGEDHN Cc1ccc([C@H](C)NCCC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000272002328 263001090 /nfs/dbraw/zinc/00/10/90/263001090.db2.gz HXDLFVXZZMEBML-LBPRGKRZSA-N 0 3 275.352 3.494 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000274645243 263028581 /nfs/dbraw/zinc/02/85/81/263028581.db2.gz RXHYTLLPFNTOGF-LNSITVRQSA-N 0 3 273.336 3.328 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)CC(C)(C)C#N ZINC000278663526 263049714 /nfs/dbraw/zinc/04/97/14/263049714.db2.gz FKTYSIMXXNINAN-UHFFFAOYSA-N 0 3 299.418 3.469 20 30 CGEDHN CC(C)(C#N)CCCCN[C@@H](CCO)c1ccco1 ZINC000278875720 263051613 /nfs/dbraw/zinc/05/16/13/263051613.db2.gz SWGFJQTYHVZKCY-ZDUSSCGKSA-N 0 3 264.369 3.013 20 30 CGEDHN Cn1nccc1[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000281508184 263069612 /nfs/dbraw/zinc/06/96/12/263069612.db2.gz UWADSUGNCGPMDP-OAHLLOKOSA-N 0 3 274.412 3.277 20 30 CGEDHN Cc1cc(Cl)nc(CNCC(C)(C)CCC#N)c1 ZINC000281869216 263072462 /nfs/dbraw/zinc/07/24/62/263072462.db2.gz CLQVCYIQJIXNEP-UHFFFAOYSA-N 0 3 265.788 3.463 20 30 CGEDHN CN1CCN(CCCC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000284797325 263087834 /nfs/dbraw/zinc/08/78/34/263087834.db2.gz PEDWCXLRHSDVTR-GOSISDBHSA-N 0 3 299.462 3.175 20 30 CGEDHN Cc1ccc(-c2n[nH]cc2CNCC2(CC#N)CC2)cc1 ZINC000366639033 263089051 /nfs/dbraw/zinc/08/90/51/263089051.db2.gz MZGDMUKNXKGQSZ-UHFFFAOYSA-N 0 3 280.375 3.169 20 30 CGEDHN N#CCCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000285937388 263096682 /nfs/dbraw/zinc/09/66/82/263096682.db2.gz FNQRPIRXMZBXLF-AWEZNQCLSA-N 0 3 260.385 3.315 20 30 CGEDHN COc1ccc([C@@H](Cc2ccncc2)NCCCC#N)cc1 ZINC000286356722 263098222 /nfs/dbraw/zinc/09/82/22/263098222.db2.gz ZMUHTFPCVKYMJB-GOSISDBHSA-N 0 3 295.386 3.267 20 30 CGEDHN C=CC[C@@H](CC)N[C@@H](C)c1cc(OC)ncc1F ZINC000287206357 263101182 /nfs/dbraw/zinc/10/11/82/263101182.db2.gz WQLNIYYHAPOATD-WDEREUQCSA-N 0 3 252.333 3.235 20 30 CGEDHN COC[C@@H](NCCCCC#N)c1cccc(Cl)c1F ZINC000287889512 263103084 /nfs/dbraw/zinc/10/30/84/263103084.db2.gz YWNRLNRJIHKFDM-CYBMUJFWSA-N 0 3 284.762 3.450 20 30 CGEDHN Cc1cc(CN[C@H]2CCC[C@H](C#N)C2)cc(N2CCCC2)n1 ZINC000289731372 263111536 /nfs/dbraw/zinc/11/15/36/263111536.db2.gz KCTQVKQUCCOMSK-RDJZCZTQSA-N 0 3 298.434 3.162 20 30 CGEDHN COc1ccc(F)cc1CNCC1CCC(C#N)CC1 ZINC000291048995 263119702 /nfs/dbraw/zinc/11/97/02/263119702.db2.gz MRSHFOGXRQJDRT-UHFFFAOYSA-N 0 3 276.355 3.254 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295080821 263172003 /nfs/dbraw/zinc/17/20/03/263172003.db2.gz QGYIBVCBNHXBSW-GWCFXTLKSA-N 0 3 293.754 3.420 20 30 CGEDHN C=C[C@H](CO)N[C@H](CCC)c1ccc(Cl)cc1 ZINC000353572549 263178153 /nfs/dbraw/zinc/17/81/53/263178153.db2.gz SJVOFABEWCIGJZ-ZIAGYGMSSA-N 0 3 253.773 3.318 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@H](Nc2ccccc2)C1 ZINC000298044879 263213972 /nfs/dbraw/zinc/21/39/72/263213972.db2.gz DEOSNNQTFXTTPB-ZBFHGGJFSA-N 0 3 257.381 3.255 20 30 CGEDHN CCN(Cc1ccc(OC)cc1OC)[C@H](C)CCC#N ZINC000298140894 263215701 /nfs/dbraw/zinc/21/57/01/263215701.db2.gz ODPZRYCNDJDQAR-CYBMUJFWSA-N 0 3 276.380 3.218 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000298553574 263221909 /nfs/dbraw/zinc/22/19/09/263221909.db2.gz YWZSLVWQGQGSBZ-DOMZBBRYSA-N 0 3 278.783 3.485 20 30 CGEDHN COc1ccccc1[C@@H]1CCN([C@@H](C)CCC#N)C1 ZINC000299277010 263237398 /nfs/dbraw/zinc/23/73/98/263237398.db2.gz MSCWVLPCAPIOIG-UONOGXRCSA-N 0 3 258.365 3.177 20 30 CGEDHN C=CCCCN1CCc2c(ccc(OC)c2OC)C1 ZINC000340989243 263315336 /nfs/dbraw/zinc/31/53/36/263315336.db2.gz DFCMQGDYHYXCDT-UHFFFAOYSA-N 0 3 261.365 3.028 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000341889582 263363917 /nfs/dbraw/zinc/36/39/17/263363917.db2.gz RWTODDRUFCCJAH-GOEBONIOSA-N 0 3 287.403 3.207 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000341999722 263375110 /nfs/dbraw/zinc/37/51/10/263375110.db2.gz DTGJDHDXLYFJRD-CGZBRXJRSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C1CCN(CCCOCCc2ccccc2)CC1 ZINC000341992157 263382101 /nfs/dbraw/zinc/38/21/01/263382101.db2.gz BQIPWHYXJFEFFS-UHFFFAOYSA-N 0 3 259.393 3.288 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000341990418 263382325 /nfs/dbraw/zinc/38/23/25/263382325.db2.gz CEQFXIVLQOCQJU-UHFFFAOYSA-N 0 3 278.783 3.321 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@@H]2C)CC1 ZINC000334413683 263616902 /nfs/dbraw/zinc/61/69/02/263616902.db2.gz WBDCIIYRVCHIRL-HNNXBMFYSA-N 0 3 293.455 3.001 20 30 CGEDHN C[C@@H]1CCC[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000331210398 264162697 /nfs/dbraw/zinc/16/26/97/264162697.db2.gz XRMLOWMWGQEARX-HYVNUMGLSA-N 0 3 284.403 3.454 20 30 CGEDHN C=CC[C@H](C)NCc1nc2ccc(OC)cc2s1 ZINC000353767803 264229303 /nfs/dbraw/zinc/22/93/03/264229303.db2.gz MXJACJBGMBWFGQ-JTQLQIEISA-N 0 3 262.378 3.359 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000076735946 264342761 /nfs/dbraw/zinc/34/27/61/264342761.db2.gz SHRZJVGQNOJCTO-CYBMUJFWSA-N 0 3 278.371 3.359 20 30 CGEDHN C=CCC[C@@H](O)CNC1(c2nc(C)cs2)CCCC1 ZINC000132474897 264388643 /nfs/dbraw/zinc/38/86/43/264388643.db2.gz QNJDEDIDAFMNAX-CYBMUJFWSA-N 0 3 280.437 3.138 20 30 CGEDHN C=CCC[C@H](NCCNC(=O)OC(C)(C)C)c1ccco1 ZINC000286292730 264572278 /nfs/dbraw/zinc/57/22/78/264572278.db2.gz WHELSKMDXSQGLS-ZDUSSCGKSA-N 0 3 294.395 3.401 20 30 CGEDHN Cn1cc(CN[C@@H]2CCc3c2cccc3Cl)cc1C#N ZINC000190896938 270073880 /nfs/dbraw/zinc/07/38/80/270073880.db2.gz QUSPFNFKQUWCGR-MRXNPFEDSA-N 0 3 285.778 3.327 20 30 CGEDHN Cc1ccccc1C[C@H](CO)N[C@H](C)c1cccc(C#N)c1 ZINC000191572991 270075263 /nfs/dbraw/zinc/07/52/63/270075263.db2.gz GOMGUCREWDYSIR-DNVCBOLYSA-N 0 3 294.398 3.121 20 30 CGEDHN C=CCCCCCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000514614650 266019308 /nfs/dbraw/zinc/01/93/08/266019308.db2.gz OALNZSGDZSKJIA-QGZVFWFLSA-N 0 3 286.419 3.342 20 30 CGEDHN C=CCN(CCC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000357524082 266315670 /nfs/dbraw/zinc/31/56/70/266315670.db2.gz AOQPLPONDLKQGJ-SFHVURJKSA-N 0 3 298.430 3.221 20 30 CGEDHN N#Cc1csc(CNC[C@H]2CCN2C2CCCCC2)c1 ZINC000527751152 270134506 /nfs/dbraw/zinc/13/45/06/270134506.db2.gz ILMPWCWJEHTCBO-OAHLLOKOSA-N 0 3 289.448 3.116 20 30 CGEDHN CCCCC[C@@H]1CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000362943355 267064590 /nfs/dbraw/zinc/06/45/90/267064590.db2.gz XYVMDZKLOIVHDU-JKSUJKDBSA-N 0 3 293.455 3.039 20 30 CGEDHN CCC(CC)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000370533701 267327302 /nfs/dbraw/zinc/32/73/02/267327302.db2.gz OUVBFEWHZMQDQL-UHFFFAOYSA-N 0 3 271.408 3.375 20 30 CGEDHN C=CCN(CCc1ccncc1)Cc1cccs1 ZINC000120113294 267381881 /nfs/dbraw/zinc/38/18/81/267381881.db2.gz IDGAVOWIUYIWGU-UHFFFAOYSA-N 0 3 258.390 3.374 20 30 CGEDHN N#CCCCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000371294936 267385371 /nfs/dbraw/zinc/38/53/71/267385371.db2.gz NUJJMXHBKHXQNV-GFCCVEGCSA-N 0 3 287.338 3.450 20 30 CGEDHN CCCCCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC000377013020 268040262 /nfs/dbraw/zinc/04/02/62/268040262.db2.gz IEEGIPJULGDURQ-QGZVFWFLSA-N 0 3 282.472 3.144 20 30 CGEDHN Cc1ncccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000527988453 268089235 /nfs/dbraw/zinc/08/92/35/268089235.db2.gz SNLDGGUXCOKONC-KRWDZBQOSA-N 0 3 263.344 3.039 20 30 CGEDHN C[C@@H]1CCC[C@H](NCc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459415786 274297115 /nfs/dbraw/zinc/29/71/15/274297115.db2.gz XEZNIXPHVHACMK-XUJVJEKNSA-N 0 3 287.363 3.381 20 30 CGEDHN C=C(C)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192039415 276863856 /nfs/dbraw/zinc/86/38/56/276863856.db2.gz ZTUZGIQRANAUIY-KBPBESRZSA-N 0 3 251.757 3.336 20 30 CGEDHN C[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)C1CCCC1 ZINC000329657045 277617026 /nfs/dbraw/zinc/61/70/26/277617026.db2.gz GPTAURRECFMHHN-SNVBAGLBSA-N 0 3 293.436 3.388 20 30 CGEDHN CC(C)c1scnc1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000329406924 278117268 /nfs/dbraw/zinc/11/72/68/278117268.db2.gz CFVLLWLMZUFHON-GHMZBOCLSA-N 0 3 296.440 3.075 20 30 CGEDHN C[C@@H](O)CN(Cc1ccccc1C#N)C1CCCCC1 ZINC000339127908 278394741 /nfs/dbraw/zinc/39/47/41/278394741.db2.gz KVHXIXQHOOULSY-CQSZACIVSA-N 0 3 272.392 3.074 20 30 CGEDHN CCN(CC)[C@@H](CNc1nccc(C)c1C#N)c1ccco1 ZINC000343440697 279147757 /nfs/dbraw/zinc/14/77/57/279147757.db2.gz PZDKFZZPFOQWOO-HNNXBMFYSA-N 0 3 298.390 3.350 20 30 CGEDHN CCN(CC)[C@H](CNc1nccc(C)c1C#N)c1ccco1 ZINC000343440699 279165567 /nfs/dbraw/zinc/16/55/67/279165567.db2.gz PZDKFZZPFOQWOO-OAHLLOKOSA-N 0 3 298.390 3.350 20 30 CGEDHN C[C@@]1(NCC#Cc2cccc(Cl)c2)CCO[C@@H]1C1CC1 ZINC000273086711 279171585 /nfs/dbraw/zinc/17/15/85/279171585.db2.gz RTVYZXLSIWBMFG-IAGOWNOFSA-N 0 3 289.806 3.239 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC2(c3ccc(F)cc3)CC2)C1 ZINC000334570645 279482301 /nfs/dbraw/zinc/48/23/01/279482301.db2.gz KZIMTXWVIAHPKC-IUODEOHRSA-N 0 3 258.340 3.487 20 30 CGEDHN Cc1ccc(O)c(CN[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000418142595 280920174 /nfs/dbraw/zinc/92/01/74/280920174.db2.gz HHJRTUQRYUDKDW-INIZCTEOSA-N 0 3 293.370 3.135 20 30 CGEDHN N#Cc1ccc(O[C@H]2CCN([C@@H]3C=CCCCCC3)C2)nc1 ZINC000550105615 289066923 /nfs/dbraw/zinc/06/69/23/289066923.db2.gz NZUJKWCJIFVXHL-SJORKVTESA-N 0 3 297.402 3.295 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000335365946 289236609 /nfs/dbraw/zinc/23/66/09/289236609.db2.gz CXFDZNXQILOUBI-BXUZGUMPSA-N 0 3 256.349 3.075 20 30 CGEDHN CC(C)[C@H](CO)CN[C@H](C)c1ccc(C#N)cc1Cl ZINC000554085186 289256243 /nfs/dbraw/zinc/25/62/43/289256243.db2.gz AEXKRXCFYJJBMW-YPMHNXCESA-N 0 3 280.799 3.127 20 30 CGEDHN COc1cc(F)c([C@@H](C)NCCCCC#N)cc1OC ZINC000178649136 327795418 /nfs/dbraw/zinc/79/54/18/327795418.db2.gz ICOCCJXROMCKCL-LLVKDONJSA-N 0 3 280.343 3.187 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000185767643 327844894 /nfs/dbraw/zinc/84/48/94/327844894.db2.gz QLJAPRSOIYEMFO-NILFDRSVSA-N 0 3 278.783 3.045 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CCC2)C1 ZINC000339349260 328007989 /nfs/dbraw/zinc/00/79/89/328007989.db2.gz OLUXEJKSCLXYQO-INIZCTEOSA-N 0 3 282.387 3.162 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000320352347 328018419 /nfs/dbraw/zinc/01/84/19/328018419.db2.gz CTHLZZHSLNHVJH-OCCSQVGLSA-N 0 3 259.349 3.411 20 30 CGEDHN C=C(CNCc1cccc(OC)c1)c1ccccc1 ZINC000110057680 328031340 /nfs/dbraw/zinc/03/13/40/328031340.db2.gz MNCPFQQWRVVYTL-UHFFFAOYSA-N 0 3 253.345 3.498 20 30 CGEDHN N#CCCOCCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000292742013 328273267 /nfs/dbraw/zinc/27/32/67/328273267.db2.gz HJJCGOTWRLFWGN-MRXNPFEDSA-N 0 3 276.355 3.283 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000293158144 328274529 /nfs/dbraw/zinc/27/45/29/328274529.db2.gz RIVLKMJXWOGDFN-ROUUACIJSA-N 0 3 297.446 3.275 20 30 CGEDHN N#CCCOCCN1CCC[C@H]1Cc1ccccc1Cl ZINC000293557961 328276715 /nfs/dbraw/zinc/27/67/15/328276715.db2.gz RSMYTZISZRJOMG-HNNXBMFYSA-N 0 3 292.810 3.277 20 30 CGEDHN CC(C)C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567990038 322186709 /nfs/dbraw/zinc/18/67/09/322186709.db2.gz YILSLCVOTRIFLZ-AWEZNQCLSA-N 0 3 287.363 3.334 20 30 CGEDHN CSC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358574382 533707061 /nfs/dbraw/zinc/70/70/61/533707061.db2.gz RXAUJMULTJLGPO-ZJUUUORDSA-N 0 3 252.358 3.099 20 30 CGEDHN CC(C)CCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000583928921 326799740 /nfs/dbraw/zinc/79/97/40/326799740.db2.gz CZBFNHNUYIPFSM-MRXNPFEDSA-N 0 3 287.407 3.235 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cn1)C1CC(C)(C)C1 ZINC000584181094 327061095 /nfs/dbraw/zinc/06/10/95/327061095.db2.gz NZVBMSLLJWOPHE-UHFFFAOYSA-N 0 3 257.381 3.352 20 30 CGEDHN C[C@H](CO)N(CC#Cc1ccccc1Cl)C1CCCC1 ZINC000558115734 327074737 /nfs/dbraw/zinc/07/47/37/327074737.db2.gz SLYRPCBHRWRXMQ-CQSZACIVSA-N 0 3 291.822 3.317 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)CCc1ccc(Cl)s1 ZINC000381047700 327086705 /nfs/dbraw/zinc/08/67/05/327086705.db2.gz FYLJZKVABBJBCX-UWVGGRQHSA-N 0 3 256.802 3.472 20 30 CGEDHN CCC(CC)(CCO)NCC#Cc1cccc(Cl)c1 ZINC000558746669 327118993 /nfs/dbraw/zinc/11/89/93/327118993.db2.gz ZRXBENHIUAPNFQ-UHFFFAOYSA-N 0 3 279.811 3.222 20 30 CGEDHN C=CCNC(=O)CN(Cc1cccs1)C(C)(C)CCC ZINC000558864711 327128098 /nfs/dbraw/zinc/12/80/98/327128098.db2.gz AFGJAXBUQPAJIJ-UHFFFAOYSA-N 0 3 294.464 3.431 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000561334091 327386560 /nfs/dbraw/zinc/38/65/60/327386560.db2.gz WFMGOTBKPDMGEU-GFCCVEGCSA-N 0 3 258.365 3.188 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC000565018828 327389473 /nfs/dbraw/zinc/38/94/73/327389473.db2.gz LOIMCOZIWLOFRR-JYJNAYRXSA-N 0 3 288.366 3.156 20 30 CGEDHN C=CCCCCCN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000150902924 327397006 /nfs/dbraw/zinc/39/70/06/327397006.db2.gz UCRJLZWNTCPBPP-NVXWUHKLSA-N 0 3 293.455 3.108 20 30 CGEDHN CC(C)(C)[C@H](CCO)NCC#Cc1ccccc1Cl ZINC000562163469 327453533 /nfs/dbraw/zinc/45/35/33/327453533.db2.gz LWQSASLGVLCFRQ-HNNXBMFYSA-N 0 3 279.811 3.078 20 30 CGEDHN C=CC(C)(C)CNCc1cc(OC)c(OC)cc1OC ZINC000395359616 328736764 /nfs/dbraw/zinc/73/67/64/328736764.db2.gz AUNRUHOLEUJKTM-UHFFFAOYSA-N 0 3 279.380 3.014 20 30 CGEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000185811987 329329487 /nfs/dbraw/zinc/32/94/87/329329487.db2.gz YCSLUQSDIMJJDC-DYEKYZERSA-N 0 3 272.348 3.148 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cccc(OC(F)F)c2)C1 ZINC000185822517 329329972 /nfs/dbraw/zinc/32/99/72/329329972.db2.gz WGEFERTYHRBORK-AAEUAGOBSA-N 0 3 280.318 3.460 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000467301241 329332674 /nfs/dbraw/zinc/33/26/74/329332674.db2.gz ZJFGODLWRPWHDU-HUUCEWRRSA-N 0 3 288.435 3.323 20 30 CGEDHN Cc1noc(C)c1CCNC1CC(C#N)(c2ccccc2)C1 ZINC000126808461 329594716 /nfs/dbraw/zinc/59/47/16/329594716.db2.gz IJTOIZOPXPIUII-UHFFFAOYSA-N 0 3 295.386 3.048 20 30 CGEDHN CC#CCCNCc1ccc(OC(F)F)c(OCC)c1 ZINC000158331098 329786224 /nfs/dbraw/zinc/78/62/24/329786224.db2.gz ALKJEQJUSWQPAK-UHFFFAOYSA-N 0 3 283.318 3.190 20 30 CGEDHN C=CCOCCN[C@H](CC)c1ccc(F)cc1F ZINC000272455350 330086872 /nfs/dbraw/zinc/08/68/72/330086872.db2.gz NFQIQPRAZAHLLJ-CQSZACIVSA-N 0 3 255.308 3.208 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2ccncc2Cl)CC1 ZINC000421838052 330092433 /nfs/dbraw/zinc/09/24/33/330092433.db2.gz UNSNXFYTTZEMRN-LBPRGKRZSA-N 0 3 279.815 3.036 20 30 CGEDHN C=CCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000276114399 330112332 /nfs/dbraw/zinc/11/23/32/330112332.db2.gz IHKWOIAIWWWVGR-UHFFFAOYSA-N 0 3 255.745 3.062 20 30 CGEDHN C=CCC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000276114399 330112333 /nfs/dbraw/zinc/11/23/33/330112333.db2.gz IHKWOIAIWWWVGR-UHFFFAOYSA-N 0 3 255.745 3.062 20 30 CGEDHN N#CC(C(=O)c1csc(Cl)c1)c1ccccn1 ZINC000191374104 330138405 /nfs/dbraw/zinc/13/84/05/330138405.db2.gz CDGCKWPSRBVPAG-SECBINFHSA-N 0 3 262.721 3.287 20 30 CGEDHN N#CCCCN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527884530 330291744 /nfs/dbraw/zinc/29/17/44/330291744.db2.gz GDSDAGIJAWDPRU-ZDUSSCGKSA-N 0 3 252.720 3.360 20 30 CGEDHN C=CCn1cc(CN[C@H](CCC)C2CCCCC2)nn1 ZINC000424294677 330335726 /nfs/dbraw/zinc/33/57/26/330335726.db2.gz LIFLDIVREMMUNX-MRXNPFEDSA-N 0 3 276.428 3.303 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 ZINC000424330534 330342061 /nfs/dbraw/zinc/34/20/61/330342061.db2.gz QYRYUYMLDBSAJO-IJEWVQPXSA-N 0 3 280.375 3.215 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424331212 330342256 /nfs/dbraw/zinc/34/22/56/330342256.db2.gz JEEFFAMCQNZJNZ-RYUDHWBXSA-N 0 3 283.799 3.326 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CSCCc3ccccc32)C1 ZINC000424331146 330342346 /nfs/dbraw/zinc/34/23/46/330342346.db2.gz RNTIMGSVGJZZMO-INWMFGNUSA-N 0 3 272.417 3.299 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424358005 330346605 /nfs/dbraw/zinc/34/66/05/330346605.db2.gz WZEZXFKFRNSYHB-VQISRLSMSA-N 0 3 281.783 3.343 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000121096360 330396176 /nfs/dbraw/zinc/39/61/76/330396176.db2.gz BAUAJQFJHJVGOC-HNNXBMFYSA-N 0 3 274.408 3.326 20 30 CGEDHN N#CCC1(CNC/C=C/c2ccc(F)cc2F)CC1 ZINC000430034227 330557614 /nfs/dbraw/zinc/55/76/14/330557614.db2.gz IZSCIGOXKDOFAM-OWOJBTEDSA-N 0 3 262.303 3.261 20 30 CGEDHN COc1ccc([C@H](C)NCC2(CC#N)CC2)cc1F ZINC000430745783 330572549 /nfs/dbraw/zinc/57/25/49/330572549.db2.gz OLSWIFUIOKVENE-NSHDSACASA-N 0 3 262.328 3.179 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000448606111 330727989 /nfs/dbraw/zinc/72/79/89/330727989.db2.gz NFKHKWJXBCHXPS-MRXNPFEDSA-N 0 3 288.435 3.180 20 30 CGEDHN C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000448702143 330812045 /nfs/dbraw/zinc/81/20/45/330812045.db2.gz RPOHWMCPQGNOBE-KBXCAEBGSA-N 0 3 297.402 3.161 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@@H](CC(C)(C)C)NC)c1 ZINC000449105033 330899344 /nfs/dbraw/zinc/89/93/44/330899344.db2.gz XZZBGGWGWIHZSU-OAHLLOKOSA-N 0 3 290.407 3.214 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1cccc(N(C)C)n1 ZINC000449203143 330905956 /nfs/dbraw/zinc/90/59/56/330905956.db2.gz GVNGFJBYBXLDOU-CQSZACIVSA-N 0 3 261.413 3.372 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H](N3CCCC3)C2)CCCC1 ZINC000449814093 330951161 /nfs/dbraw/zinc/95/11/61/330951161.db2.gz JNCAVUBRWFGPOC-INIZCTEOSA-N 0 3 290.451 3.210 20 30 CGEDHN COc1ccc([C@H](C)[C@@H](C)NCC2(C#N)CCC2)cc1 ZINC000450723843 330995965 /nfs/dbraw/zinc/99/59/65/330995965.db2.gz DTUMYELPMMPEPU-ZIAGYGMSSA-N 0 3 272.392 3.471 20 30 CGEDHN CCOC(=O)C1CCC(N(CC)CC2(C#N)CCC2)CC1 ZINC000450943579 331008271 /nfs/dbraw/zinc/00/82/71/331008271.db2.gz SSUPNRNFRJBJNB-UHFFFAOYSA-N 0 3 292.423 3.124 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453175788 331097375 /nfs/dbraw/zinc/09/73/75/331097375.db2.gz LSAJQNYWMBPJQS-OAHLLOKOSA-N 0 3 299.418 3.330 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ccc(OC)cc21 ZINC000453350090 331120511 /nfs/dbraw/zinc/12/05/11/331120511.db2.gz IVHBNHICXHLATL-BBWFWOEESA-N 0 3 273.376 3.006 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000457387273 331220805 /nfs/dbraw/zinc/22/08/05/331220805.db2.gz XIAQKPCUKDLHKN-UHFFFAOYSA-N 0 3 258.365 3.161 20 30 CGEDHN C=CCN(CCn1cc(Cl)cn1)Cc1ccccc1 ZINC000459283138 331274478 /nfs/dbraw/zinc/27/44/78/331274478.db2.gz DPPIRIQXMUOKJU-UHFFFAOYSA-N 0 3 275.783 3.225 20 30 CGEDHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000459646919 331292057 /nfs/dbraw/zinc/29/20/57/331292057.db2.gz DGEWQWHHGROBIN-MCIONIFRSA-N 0 3 258.365 3.347 20 30 CGEDHN COc1ccc(CNCC(C)(C)CC#N)cc1OC(F)F ZINC000459684485 331294318 /nfs/dbraw/zinc/29/43/18/331294318.db2.gz DAZVYVKBNBFBIS-UHFFFAOYSA-N 0 3 298.333 3.326 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc(F)c2cccnc12 ZINC000459727621 331296084 /nfs/dbraw/zinc/29/60/84/331296084.db2.gz HKAZNEDJLJTNDC-UHFFFAOYSA-N 0 3 271.339 3.403 20 30 CGEDHN COc1cc([C@@H](C)NCC(C)(C)CC#N)ccc1F ZINC000459731394 331296595 /nfs/dbraw/zinc/29/65/95/331296595.db2.gz NNWVXVKERQMYAS-LLVKDONJSA-N 0 3 264.344 3.425 20 30 CGEDHN C=CCOc1cccc(CN2CCN(C)[C@H](C(C)C)C2)c1 ZINC000488586984 332019223 /nfs/dbraw/zinc/01/92/23/332019223.db2.gz XGBGOXAWNWRWJM-SFHVURJKSA-N 0 3 288.435 3.023 20 30 CGEDHN C=CCCCCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000488972801 332036055 /nfs/dbraw/zinc/03/60/55/332036055.db2.gz FBZOJEPFCPRJOQ-RRFJBIMHSA-N 0 3 265.397 3.006 20 30 CGEDHN C=C[C@H]1CCCCN1CCc1ccccc1C(=O)OC ZINC000489464938 332054106 /nfs/dbraw/zinc/05/41/06/332054106.db2.gz QWIGUIYUZFHIAN-HNNXBMFYSA-N 0 3 273.376 3.056 20 30 CGEDHN C=CCn1cccc1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000490021314 332076997 /nfs/dbraw/zinc/07/69/97/332076997.db2.gz PBMPEAPLJPRLIV-UHFFFAOYSA-N 0 3 297.402 3.296 20 30 CGEDHN CC#CCCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490052150 332078653 /nfs/dbraw/zinc/07/86/53/332078653.db2.gz YNGRCRUHJIXJHN-OAHLLOKOSA-N 0 3 265.784 3.373 20 30 CGEDHN C#CCN1CCC(c2ccnc3ccccc32)CC1 ZINC000491770064 332336974 /nfs/dbraw/zinc/33/69/74/332336974.db2.gz OOPWMUZIYACVIG-UHFFFAOYSA-N 0 3 250.345 3.047 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)/C=C\C2CCCCC2)CC1 ZINC000491862212 332372756 /nfs/dbraw/zinc/37/27/56/332372756.db2.gz WKSXEBAGZLWCRH-HJWRWDBZSA-N 0 3 290.451 3.280 20 30 CGEDHN COCC(C)(C)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000494138412 332464656 /nfs/dbraw/zinc/46/46/56/332464656.db2.gz ZDVKENCLRIQCIG-UHFFFAOYSA-N 0 3 299.336 3.319 20 30 CGEDHN C=C(Cl)CN[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000494591223 332478986 /nfs/dbraw/zinc/47/89/86/332478986.db2.gz VKAUAYRFPLUFFM-MNOVXSKESA-N 0 3 276.808 3.020 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[C@@H](C)CC)CC1 ZINC000176499879 333042427 /nfs/dbraw/zinc/04/24/27/333042427.db2.gz SJEINKPSQOYNAX-GJZGRUSLSA-N 0 3 295.471 3.151 20 30 CGEDHN CC1(C#N)CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000226319198 333256738 /nfs/dbraw/zinc/25/67/38/333256738.db2.gz AAOVMFLSUAPYPH-AWEZNQCLSA-N 0 3 262.397 3.104 20 30 CGEDHN C=CCOc1ccccc1CNCC(C)(C)C(C)(C)O ZINC000393641895 333413696 /nfs/dbraw/zinc/41/36/96/333413696.db2.gz XVBSAVLJJNCWLI-UHFFFAOYSA-N 0 3 277.408 3.138 20 30 CGEDHN C=C(CC)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000538003107 333570622 /nfs/dbraw/zinc/57/06/22/333570622.db2.gz VGEHORCTEKSXMD-JXMROGBWSA-N 0 3 270.420 3.284 20 30 CGEDHN C=CCCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000132587912 333986748 /nfs/dbraw/zinc/98/67/48/333986748.db2.gz DWRUOMMBYICDOR-UHFFFAOYSA-N 0 3 257.377 3.466 20 30 CGEDHN COCC1(CCN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000576226608 335173661 /nfs/dbraw/zinc/17/36/61/335173661.db2.gz NKPOJWDHZNFTEK-GFCCVEGCSA-N 0 3 276.355 3.165 20 30 CGEDHN C=C(C)CN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134005518 334077166 /nfs/dbraw/zinc/07/71/66/334077166.db2.gz BQVJAPHVAVIKLD-KGLIPLIRSA-N 0 3 282.428 3.188 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000076738021 334088324 /nfs/dbraw/zinc/08/83/24/334088324.db2.gz WCZVUHWDLJIGDZ-HNNXBMFYSA-N 0 3 278.440 3.280 20 30 CGEDHN Clc1ccccc1C#CCN(C[C@@H]1CCOC1)C1CC1 ZINC000134986464 334110810 /nfs/dbraw/zinc/11/08/10/334110810.db2.gz XELABOBOIOLEMC-AWEZNQCLSA-N 0 3 289.806 3.192 20 30 CGEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCCc2ccccc21 ZINC000548782248 334173850 /nfs/dbraw/zinc/17/38/50/334173850.db2.gz PIUYMEBWPFJECW-GOEBONIOSA-N 0 3 267.376 3.140 20 30 CGEDHN CCC[C@@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548865846 334177495 /nfs/dbraw/zinc/17/74/95/334177495.db2.gz XKNWBVUJJUURHF-CQSZACIVSA-N 0 3 257.381 3.127 20 30 CGEDHN C=CCOCCN(C)CC(C)(C)c1ccc(C)cc1 ZINC000549860666 334207184 /nfs/dbraw/zinc/20/71/84/334207184.db2.gz QKHBRIMTEMOQHG-UHFFFAOYSA-N 0 3 261.409 3.407 20 30 CGEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000550065341 334212153 /nfs/dbraw/zinc/21/21/53/334212153.db2.gz ZTTRJQIXHRBVRL-QFXBJFAPSA-N 0 3 288.435 3.348 20 30 CGEDHN C=C(C)[C@H](CC(=O)Nc1ccccc1CN(C)C)OCC ZINC000550219692 334216438 /nfs/dbraw/zinc/21/64/38/334216438.db2.gz YXHCPBYCJFYXCV-INIZCTEOSA-N 0 3 290.407 3.058 20 30 CGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000564389083 334303504 /nfs/dbraw/zinc/30/35/04/334303504.db2.gz DIGNZVYCSZOINQ-AWEZNQCLSA-N 0 3 268.445 3.358 20 30 CGEDHN C=CCC[C@@H](NCCC(=O)Nc1ccccn1)c1ccco1 ZINC000552252376 334309080 /nfs/dbraw/zinc/30/90/80/334309080.db2.gz KWZBJINQERPKBM-CQSZACIVSA-N 0 3 299.374 3.300 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(-n2ccnn2)cc1 ZINC000248998705 334324431 /nfs/dbraw/zinc/32/44/31/334324431.db2.gz PSLBOCFKERDYMT-SQWLQELKSA-N 0 3 295.390 3.000 20 30 CGEDHN COc1cc(CN2CCC(CC#N)CC2)ccc1C ZINC000566894904 334668369 /nfs/dbraw/zinc/66/83/69/334668369.db2.gz JZYWABYFONLJBA-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN Cc1ccccc1OCCCNCc1ccc(C#N)s1 ZINC000176964718 335348180 /nfs/dbraw/zinc/34/81/80/335348180.db2.gz VVAMYAFEGXCQGC-UHFFFAOYSA-N 0 3 286.400 3.487 20 30 CGEDHN COc1ccc([C@H](CCC#N)NC[C@@](C)(O)C(C)C)cc1 ZINC000577575521 335371831 /nfs/dbraw/zinc/37/18/31/335371831.db2.gz GZYBOYCVXPSEOZ-DLBZAZTESA-N 0 3 290.407 3.037 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2c(OC)cccc21 ZINC000194931001 336040714 /nfs/dbraw/zinc/04/07/14/336040714.db2.gz BLOHCBPRIQHIQG-MRXNPFEDSA-N 0 3 275.392 3.255 20 30 CGEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000358878768 533831974 /nfs/dbraw/zinc/83/19/74/533831974.db2.gz VFQVOYSMTOXUNT-RYUDHWBXSA-N 0 3 292.814 3.139 20 30 CGEDHN C[C@@H](CNCc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000352834326 534063695 /nfs/dbraw/zinc/06/36/95/534063695.db2.gz LEEXMFDTFRDPJM-JTQLQIEISA-N 0 3 275.352 3.047 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCO[C@@H]1CCCCO1 ZINC000425537746 534080028 /nfs/dbraw/zinc/08/00/28/534080028.db2.gz QZAPDDNEQNWYKT-WMLDXEAASA-N 0 3 288.391 3.094 20 30 CGEDHN C[C@]1(NCc2ccc(C#N)cc2Cl)CCO[C@H]1C1CC1 ZINC000439438648 534179848 /nfs/dbraw/zinc/17/98/48/534179848.db2.gz MKVRFQHKYRBNNU-HOTGVXAUSA-N 0 3 290.794 3.259 20 30 CGEDHN Cc1ccc(O)c(CN(C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425364724 534192796 /nfs/dbraw/zinc/19/27/96/534192796.db2.gz HHFWYVMTDAHZRJ-ZDUSSCGKSA-N 0 3 281.359 3.160 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000336558413 534282167 /nfs/dbraw/zinc/28/21/67/534282167.db2.gz HLBLREOQNVSMHS-MRVPVSSYSA-N 0 3 271.147 3.111 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000331397193 534284425 /nfs/dbraw/zinc/28/44/25/534284425.db2.gz FXSUDZQQKREMEX-DOMZBBRYSA-N 0 3 270.376 3.366 20 30 CGEDHN C=C(C)[C@H](NC(=O)CN(C)C(C)C)c1ccc(F)c(F)c1 ZINC000184859085 518644561 /nfs/dbraw/zinc/64/45/61/518644561.db2.gz KBELOECNMWRZHX-INIZCTEOSA-N 0 3 296.361 3.038 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccccc1N(C)C ZINC000093942204 525451859 /nfs/dbraw/zinc/45/18/59/525451859.db2.gz SNHSVMDMMNFSSP-AWEZNQCLSA-N 0 3 279.387 3.475 20 30 CGEDHN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000184641335 525495961 /nfs/dbraw/zinc/49/59/61/525495961.db2.gz TUTYVNHGUGZQDN-LBPRGKRZSA-N 0 3 296.374 3.277 20 30 CGEDHN C=CCN(Cc1cnc(C)nc1)CC1CCCCC1 ZINC000352012935 526379065 /nfs/dbraw/zinc/37/90/65/526379065.db2.gz HDSFQOTYIBNFPJ-UHFFFAOYSA-N 0 3 259.397 3.353 20 30 CGEDHN C=C(C)CCN(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000352012960 526441237 /nfs/dbraw/zinc/44/12/37/526441237.db2.gz HJNANJWUEIHZSD-UHFFFAOYSA-N 0 3 297.345 3.296 20 30 CGEDHN C=C(C)CNCc1cn(C)nc1-c1ccccc1Cl ZINC000352865094 526624186 /nfs/dbraw/zinc/62/41/86/526624186.db2.gz AAJHTVSTBCQGMN-UHFFFAOYSA-N 0 3 275.783 3.406 20 30 CGEDHN C=CCNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000113930476 526664466 /nfs/dbraw/zinc/66/44/66/526664466.db2.gz LZQIBUOMNGXOGN-UHFFFAOYSA-N 0 3 259.349 3.003 20 30 CGEDHN C=CCOCCCN(C)Cc1ccc(Br)o1 ZINC000347973426 526748571 /nfs/dbraw/zinc/74/85/71/526748571.db2.gz RFVAMHFZPQLMQV-UHFFFAOYSA-N 0 3 288.185 3.067 20 30 CGEDHN C=CCOc1cccc(CN2CCCO[C@H](CC)C2)c1 ZINC000343685504 526897503 /nfs/dbraw/zinc/89/75/03/526897503.db2.gz VFEMSRCIUSREND-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N(C)Cc1cccs1 ZINC000352758756 527127993 /nfs/dbraw/zinc/12/79/93/527127993.db2.gz JVWYLGJTWZRLDQ-UHFFFAOYSA-N 0 3 294.464 3.385 20 30 CGEDHN C=CCCN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367013652 527327994 /nfs/dbraw/zinc/32/79/94/527327994.db2.gz AZBQZKSLKVLHPJ-INIZCTEOSA-N 0 3 280.412 3.038 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000353571611 527442878 /nfs/dbraw/zinc/44/28/78/527442878.db2.gz WAGJROXPSPBSTO-LRDDRELGSA-N 0 3 271.360 3.046 20 30 CGEDHN C=CCC[C@@H](NC[C@](C)(O)C(C)C)c1ccco1 ZINC000353519609 527449165 /nfs/dbraw/zinc/44/91/65/527449165.db2.gz MYZFFTYTENQWBW-HIFRSBDPSA-N 0 3 251.370 3.284 20 30 CGEDHN CCOC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000437107236 528433147 /nfs/dbraw/zinc/43/31/47/528433147.db2.gz YQPHPTWEJAEXTP-LLVKDONJSA-N 0 3 264.344 3.163 20 30 CGEDHN CC(C)[C@H](CNCc1cc(C#N)n(C)c1)Nc1ccccc1 ZINC000190980843 535017150 /nfs/dbraw/zinc/01/71/50/535017150.db2.gz NHAXCHIIVZSRBE-SFHVURJKSA-N 0 3 296.418 3.123 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)C(C)(C)C ZINC000512659089 536514102 /nfs/dbraw/zinc/51/41/02/536514102.db2.gz CTTKGRRYDVJNRX-ABAIWWIYSA-N 0 3 278.371 3.409 20 30 CGEDHN Cc1ncccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000729686009 571929414 /nfs/dbraw/zinc/92/94/14/571929414.db2.gz RBWGYZUWLBGSMS-CYBMUJFWSA-N 0 3 281.359 3.143 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1csc2ccccc21 ZINC000730021888 571941944 /nfs/dbraw/zinc/94/19/44/571941944.db2.gz KTYNJLKUYGJLER-VXGBXAGGSA-N 0 3 288.416 3.243 20 30 CGEDHN CCCCCCCCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000731025994 572391809 /nfs/dbraw/zinc/39/18/09/572391809.db2.gz UIDDSZIEDWYKAV-HNNXBMFYSA-N 0 3 268.445 3.195 20 30 CGEDHN C#CCCNc1cc(C)nc2ccc(OC(F)F)cc21 ZINC000740869229 572462572 /nfs/dbraw/zinc/46/25/72/572462572.db2.gz IRGPZGOCYNFFFS-UHFFFAOYSA-N 0 3 276.286 3.002 20 30 CGEDHN C#CCN1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000741255816 572491422 /nfs/dbraw/zinc/49/14/22/572491422.db2.gz LTBQUQKIACYYBX-ZDUSSCGKSA-N 0 3 277.795 3.236 20 30 CGEDHN C=C(C)COC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000741321244 572492123 /nfs/dbraw/zinc/49/21/23/572492123.db2.gz SFXNXNVWJXRSNS-INIZCTEOSA-N 0 3 273.376 3.018 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](C)COc2ccccc2)cc1 ZINC000733325993 572556250 /nfs/dbraw/zinc/55/62/50/572556250.db2.gz CCJGXDYMFBGCFI-INIZCTEOSA-N 0 3 295.382 3.256 20 30 CGEDHN CC(C)(CCC#N)CNCc1cc(C#N)ccc1F ZINC000742382049 572572691 /nfs/dbraw/zinc/57/26/91/572572691.db2.gz ZIKMMJFYOXPDEX-UHFFFAOYSA-N 0 3 259.328 3.117 20 30 CGEDHN C=C(Cl)CN1CCN(Cc2ccccc2)CC[C@H]1C ZINC000747532409 572590140 /nfs/dbraw/zinc/59/01/40/572590140.db2.gz XKRMEDPOVICDDJ-OAHLLOKOSA-N 0 3 278.827 3.335 20 30 CGEDHN CCC(CC)NN=C(C)c1ccc(OCCN(C)C)cc1 ZINC000734365224 572649194 /nfs/dbraw/zinc/64/91/94/572649194.db2.gz UZMGRBHFWLSFBN-UHFFFAOYSA-N 0 3 291.439 3.129 20 30 CGEDHN CC(C)[C@@H](C)N(C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744147527 572713876 /nfs/dbraw/zinc/71/38/76/572713876.db2.gz RJTQGVKLVYLGGN-CQSZACIVSA-N 0 3 282.391 3.356 20 30 CGEDHN C=CCCC[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413333 572717964 /nfs/dbraw/zinc/71/79/64/572717964.db2.gz RTPVJGKGRMYXPU-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCC[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413333 572717969 /nfs/dbraw/zinc/71/79/69/572717969.db2.gz RTPVJGKGRMYXPU-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCC[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413333 572717971 /nfs/dbraw/zinc/71/79/71/572717971.db2.gz RTPVJGKGRMYXPU-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=CCCC[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413333 572717974 /nfs/dbraw/zinc/71/79/74/572717974.db2.gz RTPVJGKGRMYXPU-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1F)C1CCCCC1 ZINC000744213940 572724192 /nfs/dbraw/zinc/72/41/92/572724192.db2.gz XEZBELLIYRVOCR-QGZVFWFLSA-N 0 3 293.357 3.266 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccs3)nc21 ZINC000735790583 572740160 /nfs/dbraw/zinc/74/01/60/572740160.db2.gz NOBRVEVXESIOSW-LBPRGKRZSA-N 0 3 295.367 3.352 20 30 CGEDHN C=C(C)CN1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747971025 572956810 /nfs/dbraw/zinc/95/68/10/572956810.db2.gz XGIFMVVJOZKJIJ-UONOGXRCSA-N 0 3 282.428 3.188 20 30 CGEDHN C=CCOc1ccc(CN[C@](C)(CC)CC(=O)OC)cc1 ZINC000748241968 572969984 /nfs/dbraw/zinc/96/99/84/572969984.db2.gz HURUBYIPQFTTML-QGZVFWFLSA-N 0 3 291.391 3.073 20 30 CGEDHN C[C@@H](COc1ccccc1)NCc1ccc(C#N)s1 ZINC000749110564 572989202 /nfs/dbraw/zinc/98/92/02/572989202.db2.gz LBBLHQWPHDJQDD-LBPRGKRZSA-N 0 3 272.373 3.177 20 30 CGEDHN C#CCN(CC)CCOc1c(Cl)cccc1Cl ZINC000749154669 572990059 /nfs/dbraw/zinc/99/00/59/572990059.db2.gz GOXJGYITHFCATI-UHFFFAOYSA-N 0 3 272.175 3.327 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000750055012 573077847 /nfs/dbraw/zinc/07/78/47/573077847.db2.gz HNUHRYKURMOWJM-KGLIPLIRSA-N 0 3 280.412 3.036 20 30 CGEDHN C=CCCC[C@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823893873 608383839 /nfs/dbraw/zinc/38/38/39/608383839.db2.gz AILCTYIRUURGMN-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823893873 608383841 /nfs/dbraw/zinc/38/38/41/608383841.db2.gz AILCTYIRUURGMN-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@H](C)[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823893873 608383843 /nfs/dbraw/zinc/38/38/43/608383843.db2.gz AILCTYIRUURGMN-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=CCCC[C@H](C)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823893873 608383845 /nfs/dbraw/zinc/38/38/45/608383845.db2.gz AILCTYIRUURGMN-ZDUSSCGKSA-N 0 3 285.395 3.043 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977505273 613338145 /nfs/dbraw/zinc/33/81/45/613338145.db2.gz TUEOJMCFJGTXFX-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974807268 613341853 /nfs/dbraw/zinc/34/18/53/613341853.db2.gz MBYCEFVNCZGWMF-KFWWJZLASA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963245449 613374435 /nfs/dbraw/zinc/37/44/35/613374435.db2.gz XWABZJAGGUOISP-GJZGRUSLSA-N 0 3 298.858 3.242 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC000972536307 613613465 /nfs/dbraw/zinc/61/34/65/613613465.db2.gz KJVSEDBFIPUVKB-DOTOQJQBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000980564251 613627155 /nfs/dbraw/zinc/62/71/55/613627155.db2.gz IINCFAZMGKNEIK-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000980493276 613635761 /nfs/dbraw/zinc/63/57/61/613635761.db2.gz GWWVUSJFFOGJJE-HNNXBMFYSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC000972315621 613638914 /nfs/dbraw/zinc/63/89/14/613638914.db2.gz DGBYTANWRQUJEQ-HNNXBMFYSA-N 0 3 298.430 3.070 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000968807160 613684082 /nfs/dbraw/zinc/68/40/82/613684082.db2.gz ZYOVEQPFFLBNQE-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC000968842968 613686062 /nfs/dbraw/zinc/68/60/62/613686062.db2.gz GGGXCJNSUGDKLN-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(C)c2C)C[C@H]1C ZINC000947343038 613760293 /nfs/dbraw/zinc/76/02/93/613760293.db2.gz NKCTXSOMXIKKID-BXUZGUMPSA-N 0 3 292.448 3.134 20 30 CGEDHN N#CCOc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000049577452 617619084 /nfs/dbraw/zinc/61/90/84/617619084.db2.gz XLOVTRZGVYYIAR-UHFFFAOYSA-N 0 3 288.297 3.157 20 30 CGEDHN C=CC[C@H]1CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000890550851 617634594 /nfs/dbraw/zinc/63/45/94/617634594.db2.gz PXYSTPCVLCIYBX-SFHVURJKSA-N 0 3 298.430 3.463 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001021107521 617898625 /nfs/dbraw/zinc/89/86/25/617898625.db2.gz KUQASTYPJGHBCG-MGPQQGTHSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@@H]2C)C1 ZINC001021118194 617900451 /nfs/dbraw/zinc/90/04/51/617900451.db2.gz HFDWCECXACRUKU-ATGSNQNLSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CC(C)(C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000891266504 618067739 /nfs/dbraw/zinc/06/77/39/618067739.db2.gz PEYQCEJBEZVENO-UHFFFAOYSA-N 0 3 286.419 3.367 20 30 CGEDHN C#CCC1(NCc2ncccc2C(F)(F)F)CCC1 ZINC000933294478 618191829 /nfs/dbraw/zinc/19/18/29/618191829.db2.gz KNHXTSPTOJTBLG-UHFFFAOYSA-N 0 3 268.282 3.136 20 30 CGEDHN C#CCC1(NCC(=O)Nc2ccc(C)cc2Cl)CCC1 ZINC000933300011 618195825 /nfs/dbraw/zinc/19/58/25/618195825.db2.gz ONQNKMKWVPGNOG-UHFFFAOYSA-N 0 3 290.794 3.123 20 30 CGEDHN C=CCN(Cc1ccccc1O[C@H](C)C(=O)OC)C(C)C ZINC000891675824 618245697 /nfs/dbraw/zinc/24/56/97/618245697.db2.gz YJJCIZUVUOFIMX-CQSZACIVSA-N 0 3 291.391 3.023 20 30 CGEDHN CC(C)N(CCC#N)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900469937 620790087 /nfs/dbraw/zinc/79/00/87/620790087.db2.gz NPXFSCNMRIURCH-UHFFFAOYSA-N 0 3 298.390 3.055 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cccc(C(=O)NCC(C)C)c1 ZINC000934469526 618627038 /nfs/dbraw/zinc/62/70/38/618627038.db2.gz VJNIAQUXXPVNNY-KRWDZBQOSA-N 0 3 286.419 3.223 20 30 CGEDHN C=CCC1(CN[C@H]2C[C@H](C)n3ncnc32)CCCC1 ZINC000926538608 618730156 /nfs/dbraw/zinc/73/01/56/618730156.db2.gz AIGMHAMOLPPCCD-STQMWFEESA-N 0 3 260.385 3.010 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001006925854 618868629 /nfs/dbraw/zinc/86/86/29/618868629.db2.gz CBYAPVNQYHMTOP-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C(#Cc1ccccc1)CN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000893274842 619059070 /nfs/dbraw/zinc/05/90/70/619059070.db2.gz LKFIYYLCGCTHQG-OWCLPIDISA-N 0 3 289.469 3.007 20 30 CGEDHN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccccc2)cc1C ZINC000162418316 619083054 /nfs/dbraw/zinc/08/30/54/619083054.db2.gz SLUMZHQFIFECAW-ZDUSSCGKSA-N 0 3 296.326 3.112 20 30 CGEDHN COCC1(N(C)Cc2cc(Cl)cc(C#N)c2)CCC1 ZINC000931622295 619218792 /nfs/dbraw/zinc/21/87/92/619218792.db2.gz JCRIVVRJUKUZBA-UHFFFAOYSA-N 0 3 278.783 3.213 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932203972 619309848 /nfs/dbraw/zinc/30/98/48/619309848.db2.gz NQXUBCGKZQLMLG-INIZCTEOSA-N 0 3 297.427 3.469 20 30 CGEDHN N#CCc1ccc(CNCc2cccc3c2NCCC3)cc1 ZINC000895076217 619713950 /nfs/dbraw/zinc/71/39/50/619713950.db2.gz LWPQRLDDRUPHPR-UHFFFAOYSA-N 0 3 291.398 3.401 20 30 CGEDHN CCN(C)c1ccc(C(C)=NOCCSC)cc1 ZINC000794575169 619768919 /nfs/dbraw/zinc/76/89/19/619768919.db2.gz XZKCHLIDXOZTQZ-UHFFFAOYSA-N 0 3 266.410 3.246 20 30 CGEDHN C#CCOc1ccccc1CN1CCC2(CCCCO2)CC1 ZINC000895658650 619865473 /nfs/dbraw/zinc/86/54/73/619865473.db2.gz LRJFHLIJIQZWLD-UHFFFAOYSA-N 0 3 299.414 3.234 20 30 CGEDHN C=CCC1(O)CCN(Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000895833630 619894235 /nfs/dbraw/zinc/89/42/35/619894235.db2.gz BGMDEMWMZBNFSG-UHFFFAOYSA-N 0 3 284.403 3.379 20 30 CGEDHN C#Cc1cncc(-c2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000896560285 620027266 /nfs/dbraw/zinc/02/72/66/620027266.db2.gz OMPKSMHARQTVDS-AVGNSLFASA-N 0 3 296.374 3.047 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCCc2cccnc21 ZINC000897072439 620135532 /nfs/dbraw/zinc/13/55/32/620135532.db2.gz OCRRKXXCLVCPDP-ZBFHGGJFSA-N 0 3 299.418 3.148 20 30 CGEDHN Cc1cc(F)c(CNC[C@@H](C)CCC#N)c(F)c1 ZINC000897214803 620162945 /nfs/dbraw/zinc/16/29/45/620162945.db2.gz OJQBRECPKYRFAJ-JTQLQIEISA-N 0 3 252.308 3.303 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@@H]1c1cccn1C ZINC000179707951 620281221 /nfs/dbraw/zinc/28/12/21/620281221.db2.gz BQAGAOHGELPZQB-GOSISDBHSA-N 0 3 294.398 3.374 20 30 CGEDHN CCC[C@H](NCc1nc(C#N)cs1)[C@H]1CC1(C)C ZINC000897625352 620412454 /nfs/dbraw/zinc/41/24/54/620412454.db2.gz BACXXNVESWCABP-NEPJUHHUSA-N 0 3 263.410 3.319 20 30 CGEDHN CCC[C@H](NCc1nc(C#N)cs1)[C@@H]1CC1(C)C ZINC000897625354 620412954 /nfs/dbraw/zinc/41/29/54/620412954.db2.gz BACXXNVESWCABP-RYUDHWBXSA-N 0 3 263.410 3.319 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929162113 620518089 /nfs/dbraw/zinc/51/80/89/620518089.db2.gz HRBDCMLBPZFLRH-KBPBESRZSA-N 0 3 298.308 3.100 20 30 CGEDHN C=CC(C)(C)NCc1ccnn1CCc1ccccc1 ZINC000898460183 620589760 /nfs/dbraw/zinc/58/97/60/620589760.db2.gz GHFYHRQRGVDWMQ-UHFFFAOYSA-N 0 3 269.392 3.180 20 30 CGEDHN CN(C)[C@@H](CNCc1csc(C#N)c1)c1ccsc1 ZINC000921503165 625456378 /nfs/dbraw/zinc/45/63/78/625456378.db2.gz RLMBKLQLPABMQP-AWEZNQCLSA-N 0 3 291.445 3.074 20 30 CGEDHN Cc1ccccc1OCCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902794323 621449831 /nfs/dbraw/zinc/44/98/31/621449831.db2.gz VQDFQSCOKHZSSM-OAHLLOKOSA-N 0 3 295.386 3.381 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902873143 621475733 /nfs/dbraw/zinc/47/57/33/621475733.db2.gz WWXQNIMZTCABOD-FDQGKXFDSA-N 0 3 277.371 3.235 20 30 CGEDHN Cc1csc([C@H](C)CN[C@@H](C)c2cc(C#N)ccn2)n1 ZINC000902952238 621503318 /nfs/dbraw/zinc/50/33/18/621503318.db2.gz VKNDYQCISUPQOB-PWSUYJOCSA-N 0 3 286.404 3.173 20 30 CGEDHN Cc1cccc(C2=CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000801940254 621544564 /nfs/dbraw/zinc/54/45/64/621544564.db2.gz LWVKWRRCAKTFHI-HNNXBMFYSA-N 0 3 270.376 3.013 20 30 CGEDHN CCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905083823 622033060 /nfs/dbraw/zinc/03/30/60/622033060.db2.gz FTYKDDDARYHNEN-CJAAZZPWSA-N 0 3 297.358 3.216 20 30 CGEDHN CC1/C(=C/c2cccc(OC(C)(C)C)c2)C(=O)c2ncnn21 ZINC000905085003 622033985 /nfs/dbraw/zinc/03/39/85/622033985.db2.gz LCFXMGDEGZYYLT-HOXUKUGESA-N 0 3 297.358 3.296 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1nccs1 ZINC000911906099 622567228 /nfs/dbraw/zinc/56/72/28/622567228.db2.gz GMMJCNCIGDGNHL-LLVKDONJSA-N 0 3 269.414 3.160 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000911935478 622577248 /nfs/dbraw/zinc/57/72/48/622577248.db2.gz UDLMODGPZVOXMI-GFCCVEGCSA-N 0 3 270.735 3.101 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000912171087 622615436 /nfs/dbraw/zinc/61/54/36/622615436.db2.gz LWYWMAIIDQTXEY-IRXDYDNUSA-N 0 3 286.419 3.246 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000912229771 622620745 /nfs/dbraw/zinc/62/07/45/622620745.db2.gz NEPUMIVYTPGFHO-IRXDYDNUSA-N 0 3 286.419 3.342 20 30 CGEDHN N#CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000057824075 622889897 /nfs/dbraw/zinc/88/98/97/622889897.db2.gz HCHJHFFCGQXJLD-UHFFFAOYSA-N 0 3 266.344 3.281 20 30 CGEDHN CCCCCCC[C@@H](C)N[C@@H](C)c1nncn1C ZINC000059446005 623008606 /nfs/dbraw/zinc/00/86/06/623008606.db2.gz JEVMBQWOEYDINQ-OLZOCXBDSA-N 0 3 252.406 3.215 20 30 CGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCCCCC)CC1 ZINC000171695991 623184921 /nfs/dbraw/zinc/18/49/21/623184921.db2.gz CFMYIAJFMWGFMP-HNNXBMFYSA-N 0 3 295.471 3.295 20 30 CGEDHN Cc1cc(F)ccc1CNCc1ccc(OCC#N)cc1 ZINC000171769142 623190062 /nfs/dbraw/zinc/19/00/62/623190062.db2.gz SUIVSMFNRSYGHT-UHFFFAOYSA-N 0 3 284.334 3.326 20 30 CGEDHN N#CC1CCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC000929416266 623351729 /nfs/dbraw/zinc/35/17/29/623351729.db2.gz IDFJDSWRGGFRSJ-GJZGRUSLSA-N 0 3 276.330 3.271 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(C)s2)[C@@H]1C ZINC000992970367 623762813 /nfs/dbraw/zinc/76/28/13/623762813.db2.gz RMLNDYBSRSECSO-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992982095 623770172 /nfs/dbraw/zinc/77/01/72/623770172.db2.gz MGJUFYUWDLNBEX-KBPBESRZSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993143437 623867740 /nfs/dbraw/zinc/86/77/40/623867740.db2.gz SGGVHEOWKNSADQ-HOCLYGCPSA-N 0 3 276.424 3.032 20 30 CGEDHN N#CC(C(=O)CCc1nc2ccccc2o1)c1ccccn1 ZINC000915099319 623893889 /nfs/dbraw/zinc/89/38/89/623893889.db2.gz ZSUCWTLQNDNUMN-GFCCVEGCSA-N 0 3 291.310 3.032 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993288522 623998893 /nfs/dbraw/zinc/99/88/93/623998893.db2.gz ZBRZWZLHYWOHCR-HOCLYGCPSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993290986 623999729 /nfs/dbraw/zinc/99/97/29/623999729.db2.gz BYUZBCHWKOSDAS-NVXWUHKLSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000993996176 624067716 /nfs/dbraw/zinc/06/77/16/624067716.db2.gz QQTGKYWYRGHGFJ-ZFWWWQNUSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994274034 624196902 /nfs/dbraw/zinc/19/69/02/624196902.db2.gz GUNOVKHGBHWEFO-DOTOQJQBSA-N 0 3 286.419 3.154 20 30 CGEDHN CC(C)[C@@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000929199945 624548385 /nfs/dbraw/zinc/54/83/85/624548385.db2.gz CTBYLMMGLCNRII-QGZVFWFLSA-N 0 3 265.360 3.440 20 30 CGEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CC(F)(F)C1 ZINC000873498987 634392065 /nfs/dbraw/zinc/39/20/65/634392065.db2.gz IDNDGWFKTTWSTB-SECBINFHSA-N 0 3 290.269 3.439 20 30 CGEDHN C#CCCCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180940990 624794940 /nfs/dbraw/zinc/79/49/40/624794940.db2.gz NZUICGXUAJQTLW-KRWDZBQOSA-N 0 3 285.366 3.042 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2=CCCCCC2)C1 ZINC000998684790 625818227 /nfs/dbraw/zinc/81/82/27/625818227.db2.gz SMKAJZDWKWZOHE-UHFFFAOYSA-N 0 3 296.842 3.208 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC000999100334 625824682 /nfs/dbraw/zinc/82/46/82/625824682.db2.gz SPEUUNCMFIYGJE-NWINJMCUSA-N 0 3 298.858 3.000 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2CCC=CCC2)C1 ZINC000999847124 625835528 /nfs/dbraw/zinc/83/55/28/625835528.db2.gz PTHKTSKALZQHMI-UHFFFAOYSA-N 0 3 296.842 3.064 20 30 CGEDHN COCc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000073651181 625864245 /nfs/dbraw/zinc/86/42/45/625864245.db2.gz MGKGBQIOVAWSFW-UHFFFAOYSA-N 0 3 296.370 3.025 20 30 CGEDHN C[C@@H](CNCc1csc(C#N)c1)Oc1cccc(F)c1 ZINC000921790994 625876372 /nfs/dbraw/zinc/87/63/72/625876372.db2.gz IHPBOOYYPRPMNC-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN C#CCC1(NCc2cc3c(cc[nH]c3=O)o2)CCCCC1 ZINC000922981892 626114493 /nfs/dbraw/zinc/11/44/93/626114493.db2.gz UGJUQMPBQLOZTF-UHFFFAOYSA-N 0 3 284.359 3.349 20 30 CGEDHN C#CCCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000788675663 626185629 /nfs/dbraw/zinc/18/56/29/626185629.db2.gz YMXFBEUGYNARQK-GHRIWEEISA-N 0 3 258.365 3.071 20 30 CGEDHN C[C@H]1CC(N=Nc2cccc(Cl)c2)CN1C1CC1 ZINC000753954711 626470219 /nfs/dbraw/zinc/47/02/19/626470219.db2.gz GBZRJGUQVOHTLR-JTQLQIEISA-N 0 3 263.772 3.365 20 30 CGEDHN CCCCCCCN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000755740135 626641481 /nfs/dbraw/zinc/64/14/81/626641481.db2.gz VYZWVIWHPZXQPO-MRXNPFEDSA-N 0 3 276.424 3.376 20 30 CGEDHN C#CCSCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756742140 626729364 /nfs/dbraw/zinc/72/93/64/626729364.db2.gz ZQFAWSLTGFPLTE-CMPLNLGQSA-N 0 3 279.380 3.036 20 30 CGEDHN C#C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(C)C ZINC000839752427 626785443 /nfs/dbraw/zinc/78/54/43/626785443.db2.gz DMPMNUSSQOFICH-GOSISDBHSA-N 0 3 298.430 3.060 20 30 CGEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1C#N ZINC000124959620 634535935 /nfs/dbraw/zinc/53/59/35/634535935.db2.gz OEBMPZROIOKQOL-CYBMUJFWSA-N 0 3 291.354 3.289 20 30 CGEDHN C#CCN[C@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC000764599434 627214051 /nfs/dbraw/zinc/21/40/51/627214051.db2.gz OUOZSCBFIGRUEI-CQSZACIVSA-N 0 3 275.392 3.404 20 30 CGEDHN C=CCCCN(C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765004569 627235908 /nfs/dbraw/zinc/23/59/08/627235908.db2.gz YCWROUQUNFPWAT-UHFFFAOYSA-N 0 3 288.351 3.108 20 30 CGEDHN C#C[C@@H](C)[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000766665475 627351651 /nfs/dbraw/zinc/35/16/51/627351651.db2.gz HCWGIPAQCAEEFG-GFCCVEGCSA-N 0 3 269.344 3.008 20 30 CGEDHN C#C[C@@H](C)[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000766665475 627351653 /nfs/dbraw/zinc/35/16/53/627351653.db2.gz HCWGIPAQCAEEFG-GFCCVEGCSA-N 0 3 269.344 3.008 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000767913126 627443797 /nfs/dbraw/zinc/44/37/97/627443797.db2.gz REEGHQLJQRRBKR-LJQANCHMSA-N 0 3 279.383 3.164 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000769962704 627593243 /nfs/dbraw/zinc/59/32/43/627593243.db2.gz HZRFGSFBTXMRQX-LLVKDONJSA-N 0 3 271.282 3.081 20 30 CGEDHN C=CCCC(=O)O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000770361810 627615548 /nfs/dbraw/zinc/61/55/48/627615548.db2.gz UDKUAWPNOLOSJR-GOSISDBHSA-N 0 3 299.414 3.259 20 30 CGEDHN C=CCC[C@@H](Nc1cc(C)nc(N)n1)c1ccccc1 ZINC000771927171 627745513 /nfs/dbraw/zinc/74/55/13/627745513.db2.gz IPRPQOOKOWWPJX-CQSZACIVSA-N 0 3 268.364 3.487 20 30 CGEDHN CCc1cc(CN[C@H](CC)c2ccc(C#N)cc2)n[nH]1 ZINC000774194699 627960408 /nfs/dbraw/zinc/96/04/08/627960408.db2.gz YTSBCALSXPAVOR-MRXNPFEDSA-N 0 3 268.364 3.085 20 30 CGEDHN N#CCC[C@@H](NC[C@@H](O)c1ccccc1)c1ccccc1 ZINC000775552140 628105728 /nfs/dbraw/zinc/10/57/28/628105728.db2.gz FRRXTGBQHJQENT-QZTJIDSGSA-N 0 3 280.371 3.355 20 30 CGEDHN C#C[C@@H](NCc1cccc2ccccc21)[C@H]1CCCO1 ZINC000775793974 628137415 /nfs/dbraw/zinc/13/74/15/628137415.db2.gz XTZBUIHYRUHRKP-QZTJIDSGSA-N 0 3 265.356 3.110 20 30 CGEDHN C#C[C@H](NCc1cccc2ccccc21)[C@H]1CCCO1 ZINC000775793977 628137611 /nfs/dbraw/zinc/13/76/11/628137611.db2.gz XTZBUIHYRUHRKP-ZWKOTPCHSA-N 0 3 265.356 3.110 20 30 CGEDHN C[C@@H](NCCNc1ccccc1)c1ccc(C#N)cc1F ZINC000781424362 628559591 /nfs/dbraw/zinc/55/95/91/628559591.db2.gz XXHYVZVDFGQFGL-CYBMUJFWSA-N 0 3 283.350 3.460 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2c[nH]nc2c1 ZINC000785617607 628874929 /nfs/dbraw/zinc/87/49/29/628874929.db2.gz PNMBACNOQONZDT-KRWDZBQOSA-N 0 3 288.354 3.212 20 30 CGEDHN C=CCCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785718705 628882830 /nfs/dbraw/zinc/88/28/30/628882830.db2.gz XXNHTXFZXBVOKW-UHFFFAOYSA-N 0 3 273.376 3.405 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000787329884 629009019 /nfs/dbraw/zinc/00/90/19/629009019.db2.gz AOHOJBPFGRAEQU-MRXNPFEDSA-N 0 3 282.318 3.180 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCCC#N ZINC000805845978 629020829 /nfs/dbraw/zinc/02/08/29/629020829.db2.gz VOKIKUIDSLOZIN-CYBMUJFWSA-N 0 3 294.358 3.224 20 30 CGEDHN C#CC(C)(C)N(C)CCOc1ccccc1Cl ZINC000787998046 629038126 /nfs/dbraw/zinc/03/81/26/629038126.db2.gz WBJCFUXGEXLTJW-UHFFFAOYSA-N 0 3 251.757 3.062 20 30 CGEDHN C=C[C@](C)(CC)COC(=O)C1CCN(C2CC2)CC1 ZINC000805926731 629215551 /nfs/dbraw/zinc/21/55/51/629215551.db2.gz XXENMSIXEWBLLC-MRXNPFEDSA-N 0 3 265.397 3.006 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000791444173 629279089 /nfs/dbraw/zinc/27/90/89/629279089.db2.gz DWSWDJLFVBIYBQ-VQTJNVASSA-N 0 3 291.394 3.343 20 30 CGEDHN N#CC(C(=O)CC1CCOCC1)c1nccc2ccccc21 ZINC000792097288 629336611 /nfs/dbraw/zinc/33/66/11/629336611.db2.gz UYEVRPTYLGMHTH-INIZCTEOSA-N 0 3 294.354 3.228 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(OC)ccc2OC(F)F)C1 ZINC000862445469 629379456 /nfs/dbraw/zinc/37/94/56/629379456.db2.gz URSANNNHKFMMKQ-LBPRGKRZSA-N 0 3 295.329 3.142 20 30 CGEDHN C#CCN[C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000792922918 629394912 /nfs/dbraw/zinc/39/49/12/629394912.db2.gz BZWYUWVSEBJKAL-ZDUSSCGKSA-N 0 3 272.175 3.294 20 30 CGEDHN C#CCN(Cc1cccs1)C1Cc2ccccc2C1 ZINC000792926670 629394994 /nfs/dbraw/zinc/39/49/94/629394994.db2.gz NYZYRTDUUMIXJS-UHFFFAOYSA-N 0 3 267.397 3.351 20 30 CGEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cnc(C)cn1 ZINC000793911770 629507691 /nfs/dbraw/zinc/50/76/91/629507691.db2.gz VDIQFTNARXJONW-RDJZCZTQSA-N 0 3 279.387 3.070 20 30 CGEDHN Cc1cccc(-c2cccc([C@H]3CNCCO3)c2)c1C#N ZINC000863690141 629647301 /nfs/dbraw/zinc/64/73/01/629647301.db2.gz LKNZRSRUAYAHTB-GOSISDBHSA-N 0 3 278.355 3.195 20 30 CGEDHN C#C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCO1 ZINC000795816846 629718759 /nfs/dbraw/zinc/71/87/59/629718759.db2.gz IPWRERTZCHNYSR-GBESFXJTSA-N 0 3 294.398 3.096 20 30 CGEDHN C#C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCO1 ZINC000795816848 629718962 /nfs/dbraw/zinc/71/89/62/629718962.db2.gz IPWRERTZCHNYSR-IPMKNSEASA-N 0 3 294.398 3.096 20 30 CGEDHN CCCCCCCNCc1ncc(CN(C)C)s1 ZINC000796259773 629758170 /nfs/dbraw/zinc/75/81/70/629758170.db2.gz YDGSJMNXNIKICA-UHFFFAOYSA-N 0 3 269.458 3.265 20 30 CGEDHN N#CC(C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1ccccn1 ZINC000796779010 629831891 /nfs/dbraw/zinc/83/18/91/629831891.db2.gz AVXIXXBDJOZVEQ-AXFHLTTASA-N 0 3 282.265 3.236 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000797998315 630013237 /nfs/dbraw/zinc/01/32/37/630013237.db2.gz FYSFSAOXYSSILX-XEZPLFJOSA-N 0 3 261.365 3.024 20 30 CGEDHN CC(C)(C#N)CCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801873541 630361884 /nfs/dbraw/zinc/36/18/84/630361884.db2.gz UTPQFLBYDGOKCH-UHFFFAOYSA-N 0 3 292.423 3.124 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)[C@@H]1CCCO1 ZINC000808713162 630668794 /nfs/dbraw/zinc/66/87/94/630668794.db2.gz FMPCIZZWHCQAFW-ZFVVBOAOSA-N 0 3 255.361 3.005 20 30 CGEDHN C#C[C@H](NCc1c(C)nn(Cc2ccccc2)c1C)C(C)C ZINC000809684405 630779276 /nfs/dbraw/zinc/77/92/76/630779276.db2.gz AVQHDRNDFMMMJP-IBGZPJMESA-N 0 3 295.430 3.296 20 30 CGEDHN C#C[C@H](C)NCc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000809683884 630779402 /nfs/dbraw/zinc/77/94/02/630779402.db2.gz IYWAWYRXKJUHFT-INIZCTEOSA-N 0 3 294.398 3.389 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000809683722 630779852 /nfs/dbraw/zinc/77/98/52/630779852.db2.gz LVHDOJKXTFNKKX-CQSZACIVSA-N 0 3 266.344 3.294 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(OCC(C)C)c1)C(C)C ZINC000809685875 630781727 /nfs/dbraw/zinc/78/17/27/630781727.db2.gz XABXKEQHOMKOSI-MRXNPFEDSA-N 0 3 289.419 3.477 20 30 CGEDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)CCC#N)c1[O-] ZINC000809778937 630804942 /nfs/dbraw/zinc/80/49/42/630804942.db2.gz YKZWUGGFVCNONH-UHFFFAOYSA-N 0 3 296.798 3.474 20 30 CGEDHN C#C[C@H](NCc1cc(OC)c(OC)cc1C)C(C)(C)C ZINC000809781399 630806213 /nfs/dbraw/zinc/80/62/13/630806213.db2.gz QMAYDWXHRNTWIA-INIZCTEOSA-N 0 3 275.392 3.150 20 30 CGEDHN C#C[C@@H](NCc1ccc2c(c1)COC(C)(C)O2)C(C)(C)C ZINC000809781726 630806419 /nfs/dbraw/zinc/80/64/19/630806419.db2.gz YSYNNOGYASUARZ-MRXNPFEDSA-N 0 3 287.403 3.469 20 30 CGEDHN C#C[C@H](N[C@H](C)C[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000811517300 631081222 /nfs/dbraw/zinc/08/12/22/631081222.db2.gz NQTVTXHYAWAWGY-WWGRRREGSA-N 0 3 277.795 3.419 20 30 CGEDHN C#C[C@H](N[C@@H](C)CCn1cccn1)c1ccc(Cl)cc1 ZINC000811517458 631082428 /nfs/dbraw/zinc/08/24/28/631082428.db2.gz SZSLRNLCEBUELH-BBRMVZONSA-N 0 3 287.794 3.279 20 30 CGEDHN C=CCCCCCCCNC(=O)N1CCCN(CC)CC1 ZINC000812493393 631268817 /nfs/dbraw/zinc/26/88/17/631268817.db2.gz IAZHRUVULLBKAO-UHFFFAOYSA-N 0 3 295.471 3.250 20 30 CGEDHN CO[C@](C)(C(=O)C(C#N)c1nccc2ccccc21)C1CC1 ZINC000813089291 631351129 /nfs/dbraw/zinc/35/11/29/631351129.db2.gz AVAPWAUQRCEHAZ-QAPCUYQASA-N 0 3 294.354 3.226 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@@H]1C ZINC000816648201 632034920 /nfs/dbraw/zinc/03/49/20/632034920.db2.gz GLKKQXIJAZFNDB-ZIAGYGMSSA-N 0 3 258.365 3.209 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000879518714 635802350 /nfs/dbraw/zinc/80/23/50/635802350.db2.gz UZJMIGUVZZBHPX-WMLDXEAASA-N 0 3 288.435 3.396 20 30 CGEDHN CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1[O-] ZINC000818355595 632312737 /nfs/dbraw/zinc/31/27/37/632312737.db2.gz HTUAKGPKUUJRGO-GUTXKFCHSA-N 0 3 258.365 3.434 20 30 CGEDHN C#CCN(C)CCCNC(=O)c1ccc(C2CCCC2)cc1 ZINC000818615257 632341317 /nfs/dbraw/zinc/34/13/17/632341317.db2.gz FXAZDTKQWLCGDX-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN C=C[C@H](CC)CC(=O)Nc1ccc(CN(C)C)cc1F ZINC000822646750 632997670 /nfs/dbraw/zinc/99/76/70/632997670.db2.gz FBGPETMWHKRBCQ-GFCCVEGCSA-N 0 3 278.371 3.428 20 30 CGEDHN N#CCOc1ccc(CN[C@@H]2CCCc3ncccc32)cc1 ZINC000866294787 633068663 /nfs/dbraw/zinc/06/86/63/633068663.db2.gz MQGJFSIOBVMDAH-GOSISDBHSA-N 0 3 293.370 3.151 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1ccccc1F ZINC000823617176 633126992 /nfs/dbraw/zinc/12/69/92/633126992.db2.gz GJRYDYCBKIQYSW-UGSOOPFHSA-N 0 3 298.361 3.424 20 30 CGEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ccncc1Cl ZINC000866617213 633216594 /nfs/dbraw/zinc/21/65/94/633216594.db2.gz ZJIZYROZWNMGPY-IAQYHMDHSA-N 0 3 297.789 3.425 20 30 CGEDHN Cc1nc([C@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)c(C)s1 ZINC000866617897 633217325 /nfs/dbraw/zinc/21/73/25/633217325.db2.gz RBECVHRKMWRJBK-MGPLVRAMSA-N 0 3 297.427 3.450 20 30 CGEDHN C#C[C@@H](NCc1ccc(O[C@H](C)COC)cc1)C(C)(C)C ZINC000825939653 633389790 /nfs/dbraw/zinc/38/97/90/633389790.db2.gz FQKIRPCTFUZSOZ-RHSMWYFYSA-N 0 3 289.419 3.238 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000826534867 633411769 /nfs/dbraw/zinc/41/17/69/633411769.db2.gz LBNOVDSIAIUIPO-CQSZACIVSA-N 0 3 252.361 3.322 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000870115685 633533048 /nfs/dbraw/zinc/53/30/48/633533048.db2.gz JFZQHYSPPJSYFD-FRRDWIJNSA-N 0 3 295.386 3.432 20 30 CGEDHN C#CC[C@@H]1CCCN(CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000829768576 633779346 /nfs/dbraw/zinc/77/93/46/633779346.db2.gz GNISKSFXEBHKNW-QGZVFWFLSA-N 0 3 298.430 3.163 20 30 CGEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000829774381 633780976 /nfs/dbraw/zinc/78/09/76/633780976.db2.gz POYKZRHRYZHDPH-IAGOWNOFSA-N 0 3 298.430 3.366 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871885198 633911362 /nfs/dbraw/zinc/91/13/62/633911362.db2.gz RYUQVBQPUQJSJB-MRXNPFEDSA-N 0 3 299.418 3.020 20 30 CGEDHN Cc1cc2c(CCNC[C@H](C#N)CCC#N)c[nH]c2cc1F ZINC000871916802 633917210 /nfs/dbraw/zinc/91/72/10/633917210.db2.gz PUOUYYRYGJMIEB-ZDUSSCGKSA-N 0 3 298.365 3.191 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872261904 634092665 /nfs/dbraw/zinc/09/26/65/634092665.db2.gz KBAXVVXEKVRGSX-GOSISDBHSA-N 0 3 284.403 3.482 20 30 CGEDHN Cc1nnc(C)n1N=C/C=C/c1c(C)cc(C)cc1C ZINC000872335718 634110363 /nfs/dbraw/zinc/11/03/63/634110363.db2.gz FWPGBTAPARLIIT-ZMMYVEGFSA-N 0 3 268.364 3.368 20 30 CGEDHN C#Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000834902712 634278856 /nfs/dbraw/zinc/27/88/56/634278856.db2.gz KKQQYQBHQPOZSS-AWEZNQCLSA-N 0 3 293.366 3.290 20 30 CGEDHN CC1(CNN=C2CCc3cc(N)ccc32)CCCC1 ZINC000834980939 634302864 /nfs/dbraw/zinc/30/28/64/634302864.db2.gz FLEMZGXWDNOINK-UHFFFAOYSA-N 0 3 257.381 3.089 20 30 CGEDHN C#CCSCCNCc1cc(Cl)ccc1Cl ZINC000125966462 634844054 /nfs/dbraw/zinc/84/40/54/634844054.db2.gz PYYOCCYAXQXSND-UHFFFAOYSA-N 0 3 274.216 3.449 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000876679909 634879750 /nfs/dbraw/zinc/87/97/50/634879750.db2.gz KUWQIGMMYUZTHZ-ZDUSSCGKSA-N 0 3 296.798 3.191 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(CC)ccc1CC ZINC000876699245 634884403 /nfs/dbraw/zinc/88/44/03/634884403.db2.gz UDXAHSAEAZPHAB-ZDUSSCGKSA-N 0 3 280.799 3.220 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(SC)c1 ZINC000876952060 634936500 /nfs/dbraw/zinc/93/65/00/634936500.db2.gz KPKIKCKVFFPOIH-NSHDSACASA-N 0 3 284.812 3.125 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1c2ccccc2C(C)(C)[C@H]1C ZINC000876970413 634941364 /nfs/dbraw/zinc/94/13/64/634941364.db2.gz QUWSEABWLZUJRM-DGCLKSJQSA-N 0 3 292.810 3.169 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC000877053202 634964797 /nfs/dbraw/zinc/96/47/97/634964797.db2.gz GKBARDXMLQXYSN-HUUCEWRRSA-N 0 3 294.826 3.278 20 30 CGEDHN C[C@H](CCc1cncc2ccccc21)NC[C@H](C)C#N ZINC000877321557 635026007 /nfs/dbraw/zinc/02/60/07/635026007.db2.gz OAUJYLSXHRYJJU-ZIAGYGMSSA-N 0 3 267.376 3.305 20 30 CGEDHN Cc1cccc(O)c1CNCC1(C#N)CCCCC1 ZINC000877634236 635123729 /nfs/dbraw/zinc/12/37/29/635123729.db2.gz ZXWAGIFHVYCWTK-UHFFFAOYSA-N 0 3 258.365 3.264 20 30 CGEDHN Cc1csc([C@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC000877812528 635216739 /nfs/dbraw/zinc/21/67/39/635216739.db2.gz CIVYLWIGEQZAHK-NSHDSACASA-N 0 3 289.429 3.374 20 30 CGEDHN C#CCCCCCN(C)Cc1nc2ccccc2o1 ZINC000878269722 635439466 /nfs/dbraw/zinc/43/94/66/635439466.db2.gz KYIKNEYOAVJTSB-UHFFFAOYSA-N 0 3 256.349 3.453 20 30 CGEDHN C#CCCCCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000878290972 635446264 /nfs/dbraw/zinc/44/62/64/635446264.db2.gz XLBOZQHZQCXPGJ-UHFFFAOYSA-N 0 3 287.329 3.064 20 30 CGEDHN C=CC[C@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000878451138 635513284 /nfs/dbraw/zinc/51/32/84/635513284.db2.gz HRJCPWSYRMPEKS-LRDDRELGSA-N 0 3 273.355 3.203 20 30 CGEDHN C=CC[C@@H](C)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000878541104 635549442 /nfs/dbraw/zinc/54/94/42/635549442.db2.gz KSRGGBVIZYJQBE-ZYHUDNBSSA-N 0 3 289.297 3.173 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000879564074 635810787 /nfs/dbraw/zinc/81/07/87/635810787.db2.gz GMYDVORPAWBSRY-KGLIPLIRSA-N 0 3 292.835 3.397 20 30 CGEDHN C=C(Br)CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667164 635830463 /nfs/dbraw/zinc/83/04/63/635830463.db2.gz BBSVRKHRFNAGDA-RKDXNWHRSA-N 0 3 284.119 3.382 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373513 635884125 /nfs/dbraw/zinc/88/41/25/635884125.db2.gz JCXJANQJJBKPKS-XJKSGUPXSA-N 0 3 292.810 3.316 20 30 CGEDHN C=C(Cl)CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000844383576 635886972 /nfs/dbraw/zinc/88/69/72/635886972.db2.gz IKYDTFDWFSICJS-UHFFFAOYSA-N 0 3 257.658 3.105 20 30 CGEDHN CC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000844395703 635889590 /nfs/dbraw/zinc/88/95/90/635889590.db2.gz IDMSXPQARVJBSX-ZWKOTPCHSA-N 0 3 298.361 3.472 20 30 CGEDHN C=CCCC[C@@H](NCC(=O)NC(C)C)c1ccccc1 ZINC000880387803 635991612 /nfs/dbraw/zinc/99/16/12/635991612.db2.gz DTAKIGQRIUNAFA-MRXNPFEDSA-N 0 3 274.408 3.198 20 30 CGEDHN CCN(Cc1cccc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000880460779 636004766 /nfs/dbraw/zinc/00/47/66/636004766.db2.gz ZTOUQNXKPOSJHD-GOSISDBHSA-N 0 3 280.371 3.114 20 30 CGEDHN Cc1sccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000846005631 636128526 /nfs/dbraw/zinc/12/85/26/636128526.db2.gz ATHRWDFPGTVLOQ-INIZCTEOSA-N 0 3 286.400 3.094 20 30 CGEDHN C#CCCCN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000846144158 636149365 /nfs/dbraw/zinc/14/93/65/636149365.db2.gz GFUWRWSKIDZSEO-GOSISDBHSA-N 0 3 280.371 3.183 20 30 CGEDHN CC(C)c1nccnc1N=NC1CCCN2CCCC[C@H]12 ZINC000848409650 636570042 /nfs/dbraw/zinc/57/00/42/636570042.db2.gz BANBVGYUJQGZIN-CQSZACIVSA-N 0 3 287.411 3.016 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C)no1)[C@@H]1Cc2ccccc2O1 ZINC000883186589 636572776 /nfs/dbraw/zinc/57/27/76/636572776.db2.gz VFUYOCSMEJUTOT-AEFFLSMTSA-N 0 3 298.386 3.411 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccccc1Cl ZINC000883389181 636731358 /nfs/dbraw/zinc/73/13/58/636731358.db2.gz LYKBFEPHLXKXKL-NEPJUHHUSA-N 0 3 253.773 3.318 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)ccc2C)CC1 ZINC001006348931 636862335 /nfs/dbraw/zinc/86/23/35/636862335.db2.gz VQMBITUSDSRDKP-UHFFFAOYSA-N 0 3 286.419 3.026 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850760502 637147198 /nfs/dbraw/zinc/14/71/98/637147198.db2.gz STPKZTCYEORCOV-OAHLLOKOSA-N 0 3 296.370 3.087 20 30 CGEDHN CCOC1(C(=O)C(C#N)c2nccc3ccccc32)CCC1 ZINC000850986748 637211547 /nfs/dbraw/zinc/21/15/47/637211547.db2.gz RUQCSUHANDBWEM-HNNXBMFYSA-N 0 3 294.354 3.370 20 30 CGEDHN C[C@@H](c1ccco1)N(C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886077378 637401293 /nfs/dbraw/zinc/40/12/93/637401293.db2.gz YTGMAZPWHNEUTB-DZGCQCFKSA-N 0 3 288.391 3.250 20 30 CGEDHN N#CC1(c2ccccn2)CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886190657 637453945 /nfs/dbraw/zinc/45/39/45/637453945.db2.gz ZKIMNIWUZSWMRA-SJORKVTESA-N 0 3 295.430 3.375 20 30 CGEDHN CC(C)(NC[C@H](O)CC1(C#N)CCC1)c1ccccc1F ZINC000886215106 637460159 /nfs/dbraw/zinc/46/01/59/637460159.db2.gz DIBRDJLAMAGVSH-CYBMUJFWSA-N 0 3 290.382 3.095 20 30 CGEDHN C#CC[C@H]1CCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886353182 637509178 /nfs/dbraw/zinc/50/91/78/637509178.db2.gz CZZFCNDJQGKYBI-CABCVRRESA-N 0 3 295.386 3.451 20 30 CGEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3ccco3)CC2)cc1 ZINC000852323634 637635198 /nfs/dbraw/zinc/63/51/98/637635198.db2.gz JUNUOCQCCWAOEV-KRWDZBQOSA-N 0 3 296.370 3.064 20 30 CGEDHN C=CCC1(NCc2cn(Cc3ccccc3)nn2)CCCC1 ZINC000852588018 637682805 /nfs/dbraw/zinc/68/28/05/637682805.db2.gz MCXADTCSLNMHTR-UHFFFAOYSA-N 0 3 296.418 3.305 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886815942 637702821 /nfs/dbraw/zinc/70/28/21/637702821.db2.gz LUAULWLQTLZOPS-WBVHZDCISA-N 0 3 289.806 3.192 20 30 CGEDHN C#Cc1cccnc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000853154846 637772855 /nfs/dbraw/zinc/77/28/55/637772855.db2.gz HAPUGORLLLDGTO-SFHVURJKSA-N 0 3 291.398 3.139 20 30 CGEDHN C#C[C@H](NCc1csc(Br)c1)C(C)C ZINC000301006096 637857368 /nfs/dbraw/zinc/85/73/68/637857368.db2.gz XWVUHABQBDFKEI-JTQLQIEISA-N 0 3 272.211 3.258 20 30 CGEDHN C=C1CCC(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000887650733 637880957 /nfs/dbraw/zinc/88/09/57/637880957.db2.gz OYLBYXTTWQLNJP-QGZVFWFLSA-N 0 3 286.419 3.152 20 30 CGEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccnc2C)c1 ZINC000113961683 638314377 /nfs/dbraw/zinc/31/43/77/638314377.db2.gz CVJUMRUNPGLFJH-KRWDZBQOSA-N 0 3 295.386 3.361 20 30 CGEDHN C#Cc1ccc(CN2CC(Cc3ccsc3)C2)cc1 ZINC000857068487 638449677 /nfs/dbraw/zinc/44/96/77/638449677.db2.gz WIRBTPWYXRDDCH-UHFFFAOYSA-N 0 3 267.397 3.404 20 30 CGEDHN C[C@@H]1[C@@H](N[C@@H](CCC#N)c2ccccc2)CO[C@H]1C ZINC000925599923 638541556 /nfs/dbraw/zinc/54/15/56/638541556.db2.gz DIIVJQPRKWIAJF-SDADXPQNSA-N 0 3 258.365 3.044 20 30 CGEDHN COc1cc(F)cc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000925681615 638567704 /nfs/dbraw/zinc/56/77/04/638567704.db2.gz WGUSGUYHCNGUIE-NSHDSACASA-N 0 3 264.344 3.252 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccnn1CC1CCC1 ZINC000926344653 638764877 /nfs/dbraw/zinc/76/48/77/638764877.db2.gz MBRWVCLLXKCFOQ-ZDUSSCGKSA-N 0 3 272.396 3.028 20 30 CGEDHN C=CCC(C)(C)CN[C@H](C)c1cn(C(C)C)nn1 ZINC000926484021 638775982 /nfs/dbraw/zinc/77/59/82/638775982.db2.gz XNKNQYQKELCPAY-GFCCVEGCSA-N 0 3 250.390 3.112 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3c2nccc3Cl)C1 ZINC000926613763 638791080 /nfs/dbraw/zinc/79/10/80/638791080.db2.gz FURQERXTKSHAOP-OPQQBVKSSA-N 0 3 261.756 3.004 20 30 CGEDHN C=CC(C)(C)CCCN[C@@H](C)c1cc(OC)no1 ZINC000926822196 638815186 /nfs/dbraw/zinc/81/51/86/638815186.db2.gz MEENJSLWUKTKMD-NSHDSACASA-N 0 3 252.358 3.326 20 30 CGEDHN CC(C)(C#N)CN[C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000926875485 638820105 /nfs/dbraw/zinc/82/01/05/638820105.db2.gz ZTVIGVBQBJPRDM-SFHVURJKSA-N 0 3 293.414 3.375 20 30 CGEDHN CC[C@H](C(=O)Nc1ccc(CCC#N)cc1)N(CC)CC ZINC000928404830 638880921 /nfs/dbraw/zinc/88/09/21/638880921.db2.gz RCKWFVMGVRTQDP-MRXNPFEDSA-N 0 3 287.407 3.202 20 30 CGEDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CCC(C#N)CC1 ZINC000929164078 638904156 /nfs/dbraw/zinc/90/41/56/638904156.db2.gz GRCFKSBNSVBTSN-UHFFFAOYSA-N 0 3 287.363 3.357 20 30 CGEDHN C=CCN(CCc1ccns1)Cc1ccc(OC)cc1 ZINC000929318332 638918003 /nfs/dbraw/zinc/91/80/03/638918003.db2.gz URKOPIXLYPRKGU-UHFFFAOYSA-N 0 3 288.416 3.382 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000929825435 638954752 /nfs/dbraw/zinc/95/47/52/638954752.db2.gz LQMKEFSCLRNOGZ-HOCLYGCPSA-N 0 3 290.794 3.213 20 30 CGEDHN CC(C)(C)C[C@@H](NC[C@H](O)CC#N)c1ccc(F)cc1 ZINC000930206084 638982913 /nfs/dbraw/zinc/98/29/13/638982913.db2.gz ZXRSEJVJKNFGNW-HUUCEWRRSA-N 0 3 278.371 3.167 20 30 CGEDHN N#Cc1cncc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000930239678 638985108 /nfs/dbraw/zinc/98/51/08/638985108.db2.gz QYHUFODXSIYXEM-KRWDZBQOSA-N 0 3 263.344 3.194 20 30 CGEDHN CCN(Cc1cc(Cl)cc(C#N)c1)C[C@@H](C)OC ZINC000930539952 639022277 /nfs/dbraw/zinc/02/22/77/639022277.db2.gz PCBVOXRYSQDKDK-LLVKDONJSA-N 0 3 266.772 3.068 20 30 CGEDHN C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@H]1CCO ZINC000930971442 639093420 /nfs/dbraw/zinc/09/34/20/639093420.db2.gz QMODUGFUWLCZRO-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN C=C(C)CCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931794965 639206194 /nfs/dbraw/zinc/20/61/94/639206194.db2.gz DIODDWXQMGMGEO-KRWDZBQOSA-N 0 3 267.376 3.323 20 30 CGEDHN C=CC1(CC(=O)N(C)[C@H]2CN3CCC2CC3)CCCCC1 ZINC000932540140 639348099 /nfs/dbraw/zinc/34/80/99/639348099.db2.gz VHGFFIHDBVRNPU-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(O)(C2CCC2)CC1 ZINC000932820939 639382610 /nfs/dbraw/zinc/38/26/10/639382610.db2.gz VBRVDOKWRQFJBB-CQSZACIVSA-N 0 3 284.403 3.246 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CO)c2ccccc2C(F)(F)F)C1 ZINC000933241537 639430531 /nfs/dbraw/zinc/43/05/31/639430531.db2.gz MYPLYWXDCQGHAW-SUNKGSAMSA-N 0 3 298.308 3.021 20 30 CGEDHN C[C@@H](C#N)OCCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933820417 639495370 /nfs/dbraw/zinc/49/53/70/639495370.db2.gz VJZFTGLBDFLZPL-AWEZNQCLSA-N 0 3 295.386 3.186 20 30 CGEDHN CCC[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000076842931 640218859 /nfs/dbraw/zinc/21/88/59/640218859.db2.gz WYCPIQKOHNOQAV-GHMZBOCLSA-N 0 3 256.305 3.440 20 30 CGEDHN C[C@@H]1CC[C@H](CCC(=O)C(C#N)c2nc3ccccc3o2)O1 ZINC000246506170 640677692 /nfs/dbraw/zinc/67/76/92/640677692.db2.gz GDZNIPRALUDZPS-UPJWGTAASA-N 0 3 298.342 3.352 20 30 CGEDHN C#CCN(CCSCC)[C@H]1CCc2ccccc21 ZINC000303748257 640840841 /nfs/dbraw/zinc/84/08/41/640840841.db2.gz GXLWUTWKOKUSTF-INIZCTEOSA-N 0 3 259.418 3.362 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009088112 640955291 /nfs/dbraw/zinc/95/52/91/640955291.db2.gz PIRDLTFPNOLNMZ-GOSISDBHSA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001015943913 640987711 /nfs/dbraw/zinc/98/77/11/640987711.db2.gz WMMFQZHZRQTGAB-QGZVFWFLSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015995277 640989359 /nfs/dbraw/zinc/98/93/59/640989359.db2.gz RNTQOKHBPWWWEB-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001016343772 640995042 /nfs/dbraw/zinc/99/50/42/640995042.db2.gz NDDZAGXYQFRPIS-HNNXBMFYSA-N 0 3 298.386 3.121 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)CCC[Si](C)(C)C ZINC001156678746 805724889 /nfs/dbraw/zinc/72/48/89/805724889.db2.gz IIPIERKTIBYWLD-UHFFFAOYSA-N 0 3 284.520 3.071 20 30 CGEDHN N#C[C@H]1CC[C@H](Nc2ncccc2CN2CCCC2)CC1 ZINC001157055188 805770520 /nfs/dbraw/zinc/77/05/20/805770520.db2.gz PDGDRFNOAGYUFU-KOMQPUFPSA-N 0 3 284.407 3.172 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC)CC(C)C ZINC001157190248 805788286 /nfs/dbraw/zinc/78/82/86/805788286.db2.gz HKXCSYHUBQCDIJ-SJORKVTESA-N 0 3 294.483 3.299 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1csc(C)c1 ZINC001158605107 805972840 /nfs/dbraw/zinc/97/28/40/805972840.db2.gz MOKFSIFHPMXJJX-OAHLLOKOSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001158781428 806001306 /nfs/dbraw/zinc/00/13/06/806001306.db2.gz QVKCCQGDZUKEOA-QGZVFWFLSA-N 0 3 286.419 3.108 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCC(C#N)CC1 ZINC001252121487 806008000 /nfs/dbraw/zinc/00/80/00/806008000.db2.gz GQYHGIKGLCCYIB-MRXNPFEDSA-N 0 3 266.429 3.333 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cncs1 ZINC001252137021 806023939 /nfs/dbraw/zinc/02/39/39/806023939.db2.gz VMKSGASUZKJVNH-ZDUSSCGKSA-N 0 3 270.442 3.344 20 30 CGEDHN C=C[C@@H](NC[C@H](O)COCc1ccccc1)c1ccccc1 ZINC001252312266 806037310 /nfs/dbraw/zinc/03/73/10/806037310.db2.gz TUYWMXGANXBSJA-RBUKOAKNSA-N 0 3 297.398 3.081 20 30 CGEDHN C=C[C@@](C)(O)CN(Cc1ccccc1)Cc1ccncc1 ZINC001252548369 806061399 /nfs/dbraw/zinc/06/13/99/806061399.db2.gz QUVDINBKMZTCIC-GOSISDBHSA-N 0 3 282.387 3.021 20 30 CGEDHN C=CCC[C@H](O)CNCc1cc(C)ccc1Cl ZINC001252618747 806090272 /nfs/dbraw/zinc/09/02/72/806090272.db2.gz FDSSWRCYZZKBRU-ZDUSSCGKSA-N 0 3 253.773 3.065 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(C)c(F)c1F ZINC001252620139 806091836 /nfs/dbraw/zinc/09/18/36/806091836.db2.gz QKLBDEJMKCHVPK-NWDGAFQWSA-N 0 3 269.335 3.251 20 30 CGEDHN CCC[C@H](O)CN(CCC#N)C1CCCCCCC1 ZINC001252783413 806112708 /nfs/dbraw/zinc/11/27/08/806112708.db2.gz FRTUHMISQVEWSL-INIZCTEOSA-N 0 3 266.429 3.476 20 30 CGEDHN CCCCCCCCCC[C@H](O)CN1CC2(CC(O)C2)C1 ZINC001252978412 806144127 /nfs/dbraw/zinc/14/41/27/806144127.db2.gz BDWZBGJRSCDSPT-INIZCTEOSA-N 0 3 297.483 3.335 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCc1ccncn1 ZINC001252985967 806146991 /nfs/dbraw/zinc/14/69/91/806146991.db2.gz JPYKCEKQTPBIHB-KRWDZBQOSA-N 0 3 293.455 3.458 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN[C@@H](C)c1cncnc1 ZINC001253249591 806195129 /nfs/dbraw/zinc/19/51/29/806195129.db2.gz KQRUXZKRGXPLDM-GOEBONIOSA-N 0 3 277.412 3.015 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)CCCC)CC1 ZINC001160006007 806212176 /nfs/dbraw/zinc/21/21/76/806212176.db2.gz XONAQNUCHIRVHG-OAHLLOKOSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCOc1ccccc1[C@H](C)Nc1cccc(N)n1 ZINC001160181239 806232735 /nfs/dbraw/zinc/23/27/35/806232735.db2.gz MZEYXMMZDPSBOX-LBPRGKRZSA-N 0 3 269.348 3.402 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cc(Cl)cc(C)n1 ZINC001160953258 806328503 /nfs/dbraw/zinc/32/85/03/806328503.db2.gz ZKKWBLNJSSFOMV-ZDUSSCGKSA-N 0 3 265.788 3.106 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC001161671388 806413593 /nfs/dbraw/zinc/41/35/93/806413593.db2.gz UZZUBUBWGBNWGZ-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c(F)c1 ZINC001254642093 806468412 /nfs/dbraw/zinc/46/84/12/806468412.db2.gz CNOSISQGJXWILD-QJPTWQEYSA-N 0 3 262.328 3.177 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2ccncc2Cl)C2CC2)C1 ZINC001254648117 806471340 /nfs/dbraw/zinc/47/13/40/806471340.db2.gz KBWMVHXLWMVNGS-HCKVZZMMSA-N 0 3 275.783 3.468 20 30 CGEDHN CC(C)c1noc([C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)n1 ZINC001254670719 806481873 /nfs/dbraw/zinc/48/18/73/806481873.db2.gz LNUAAXBZZYDYQT-MJBXVCDLSA-N 0 3 288.395 3.065 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCSc3ccccc3C2)C1 ZINC001254674411 806483043 /nfs/dbraw/zinc/48/30/43/806483043.db2.gz YTOURUFFIYHUAV-GXTWGEPZSA-N 0 3 258.390 3.287 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC001255013041 806523904 /nfs/dbraw/zinc/52/39/04/806523904.db2.gz GQNQCCPXJAVZNR-MRXNPFEDSA-N 0 3 298.386 3.473 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001255154291 806554509 /nfs/dbraw/zinc/55/45/09/806554509.db2.gz GLHPCBJLMKDYQR-ARFHVFGLSA-N 0 3 258.365 3.189 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001255154606 806555518 /nfs/dbraw/zinc/55/55/18/806555518.db2.gz JLNDLLCVGIODDG-RDBSUJKOSA-N 0 3 295.427 3.056 20 30 CGEDHN CC[C@@H](CC#N)NCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001255154204 806555641 /nfs/dbraw/zinc/55/56/41/806555641.db2.gz FHLIPAUYPAAMFX-UONOGXRCSA-N 0 3 295.427 3.058 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001255164063 806561576 /nfs/dbraw/zinc/56/15/76/806561576.db2.gz JLNDLLCVGIODDG-IHRRRGAJSA-N 0 3 295.427 3.056 20 30 CGEDHN C#CC1(Nc2ncccc2CN2CCCC2)CCCCC1 ZINC001162479561 806594880 /nfs/dbraw/zinc/59/48/80/806594880.db2.gz JBBJKCQOHLHXNL-UHFFFAOYSA-N 0 3 283.419 3.425 20 30 CGEDHN CCCC[C@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC001255322621 806612018 /nfs/dbraw/zinc/61/20/18/806612018.db2.gz JTFJOVYQRTWSEU-HNNXBMFYSA-N 0 3 271.408 3.259 20 30 CGEDHN CCOC(=O)[C@H]1CCC[C@H](N(CCC#N)C2CCCC2)C1 ZINC001255368592 806627123 /nfs/dbraw/zinc/62/71/23/806627123.db2.gz UPMQWVKWZDCKKL-HOCLYGCPSA-N 0 3 292.423 3.267 20 30 CGEDHN C=CCc1cc(C)cnc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162758254 806658051 /nfs/dbraw/zinc/65/80/51/806658051.db2.gz HKWHRYJPEGNAPZ-CYBMUJFWSA-N 0 3 292.386 3.477 20 30 CGEDHN CCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127465669 799013659 /nfs/dbraw/zinc/01/36/59/799013659.db2.gz PYROGPGZMLIFQQ-CQSZACIVSA-N 0 3 272.348 3.223 20 30 CGEDHN Cc1cc(CC#N)ccc1N[C@H]1CNCc2ccsc21 ZINC001163230962 806731464 /nfs/dbraw/zinc/73/14/64/806731464.db2.gz TWZMMXJNKZDLRJ-HNNXBMFYSA-N 0 3 283.400 3.379 20 30 CGEDHN N#Cc1cc2[nH]ccc2c(N[C@@H]2CNCc3ccsc32)c1 ZINC001163230943 806731787 /nfs/dbraw/zinc/73/17/87/806731787.db2.gz SSVHHCGUGQPKJA-OAHLLOKOSA-N 0 3 294.383 3.357 20 30 CGEDHN C#C[C@H](NCc1cc2cccc(OC)c2o1)C(C)C ZINC000381561315 799380914 /nfs/dbraw/zinc/38/09/14/799380914.db2.gz NSVHYPIKCRGAGW-AWEZNQCLSA-N 0 3 257.333 3.189 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400362551 799545931 /nfs/dbraw/zinc/54/59/31/799545931.db2.gz QKTXXBSXXFSDGR-NWDGAFQWSA-N 0 3 288.819 3.117 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)CCCCC)CC1 ZINC001163422313 806761992 /nfs/dbraw/zinc/76/19/92/806761992.db2.gz FAFJZXLYXYMGOW-UHFFFAOYSA-N 0 3 286.847 3.195 20 30 CGEDHN C#C[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000702284624 799907054 /nfs/dbraw/zinc/90/70/54/799907054.db2.gz ZYTJOVPZTOSULM-CQSZACIVSA-N 0 3 260.337 3.041 20 30 CGEDHN C#Cc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1 ZINC000809551733 800444786 /nfs/dbraw/zinc/44/47/86/800444786.db2.gz GQUHVLYXYGSBSV-HXUWFJFHSA-N 0 3 291.394 3.414 20 30 CGEDHN C=CC[C@H]1CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000890557862 800559114 /nfs/dbraw/zinc/55/91/14/800559114.db2.gz IFORRMDZZOZLRV-ZDUSSCGKSA-N 0 3 298.386 3.285 20 30 CGEDHN Cc1ncsc1CCN(C)Cc1cc(C#N)cs1 ZINC000933770984 800675961 /nfs/dbraw/zinc/67/59/61/800675961.db2.gz CTLSMERWIOCHGT-UHFFFAOYSA-N 0 3 277.418 3.059 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028244467 800838696 /nfs/dbraw/zinc/83/86/96/800838696.db2.gz DKGNKVUMFABBLM-QGZVFWFLSA-N 0 3 286.419 3.190 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCCC1 ZINC001032651801 800932407 /nfs/dbraw/zinc/93/24/07/800932407.db2.gz GQPQNKGVQALPJA-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033109109 800953602 /nfs/dbraw/zinc/95/36/02/800953602.db2.gz WXTULSSPEMSTRL-AWEZNQCLSA-N 0 3 292.448 3.087 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033873508 800988076 /nfs/dbraw/zinc/98/80/76/800988076.db2.gz PKZXWAGGJKKYOA-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033948708 800991357 /nfs/dbraw/zinc/99/13/57/800991357.db2.gz BSIWSNNZQLVPJK-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001034317136 801016422 /nfs/dbraw/zinc/01/64/22/801016422.db2.gz ZJBFJUNKLGZQMS-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034384805 801023670 /nfs/dbraw/zinc/02/36/70/801023670.db2.gz IJYJBKYZSHIHDW-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034506081 801030425 /nfs/dbraw/zinc/03/04/25/801030425.db2.gz MNKWVQSJSRBSIE-QGZVFWFLSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C)CCCC1)CC2 ZINC001035762303 801060625 /nfs/dbraw/zinc/06/06/25/801060625.db2.gz VHQXHWWTEODJLF-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038268972 801122201 /nfs/dbraw/zinc/12/22/01/801122201.db2.gz KZZLAMXEMRKBPZ-ARFHVFGLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038522246 801127223 /nfs/dbraw/zinc/12/72/23/801127223.db2.gz CGDZQQXNRXAFPQ-OAHLLOKOSA-N 0 3 292.810 3.029 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038955297 801137697 /nfs/dbraw/zinc/13/76/97/801137697.db2.gz WUTWHLACPSYXAY-HNNXBMFYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001039068347 801145352 /nfs/dbraw/zinc/14/53/52/801145352.db2.gz SYHMQJPTXMIGTO-AWEZNQCLSA-N 0 3 290.407 3.173 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001039392908 801160106 /nfs/dbraw/zinc/16/01/06/801160106.db2.gz KANQUDLBPGKYGW-OIISXLGYSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001039471832 801163483 /nfs/dbraw/zinc/16/34/83/801163483.db2.gz OKCGOPFJOZDDMZ-CVEARBPZSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C23CCC(CC2)C3)CC[C@@H]1C ZINC001071612838 801543941 /nfs/dbraw/zinc/54/39/41/801543941.db2.gz NZZYVFGQUXQBSH-VUGNNNGISA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071761893 801550636 /nfs/dbraw/zinc/55/06/36/801550636.db2.gz FEMXVTWVIADLON-HOCLYGCPSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2occc2Cl)CC[C@H]1C ZINC001071796555 801551870 /nfs/dbraw/zinc/55/18/70/801551870.db2.gz UAWKYERIDFEPSK-NEPJUHHUSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@@H]1C ZINC001072006388 801558382 /nfs/dbraw/zinc/55/83/82/801558382.db2.gz SNSMZHCLGHWBLU-QAETUUGQSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001081015516 801657801 /nfs/dbraw/zinc/65/78/01/801657801.db2.gz OHAUTYAWLFIZGP-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)C=CCC1 ZINC001085300808 801680882 /nfs/dbraw/zinc/68/08/82/801680882.db2.gz IKTWWLVKWPHTKR-IIAWOOMASA-N 0 3 296.842 3.112 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001086182675 801722486 /nfs/dbraw/zinc/72/24/86/801722486.db2.gz GXVRJPZGOUHSDC-SPWCGHHHSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC001086461993 801729409 /nfs/dbraw/zinc/72/94/09/801729409.db2.gz GXVRJPZGOUHSDC-REBRKWNGSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1CC ZINC001087675766 801761229 /nfs/dbraw/zinc/76/12/29/801761229.db2.gz BKQCNLWLOCWJHV-JKSUJKDBSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1CC ZINC001087836377 801767962 /nfs/dbraw/zinc/76/79/62/801767962.db2.gz QOGVUOCIOHDUIL-BNQMIIOLSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1 ZINC001089606017 801845529 /nfs/dbraw/zinc/84/55/29/801845529.db2.gz UDRAZOWYOCUTQB-OAHLLOKOSA-N 0 3 290.407 3.076 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C(C)=C2CCCC2)C1 ZINC001098783427 801914399 /nfs/dbraw/zinc/91/43/99/801914399.db2.gz AJWATYPTWTUOMB-WMZOPIPTSA-N 0 3 288.435 3.034 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)C ZINC001098911804 801921087 /nfs/dbraw/zinc/92/10/87/801921087.db2.gz WXASJNNUESMROJ-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(F)=C(C)C ZINC001099013346 801926940 /nfs/dbraw/zinc/92/69/40/801926940.db2.gz VZNIQZJJLVORNA-CQSZACIVSA-N 0 3 296.430 3.433 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)=C2CCCC2)C1 ZINC001100229581 801943761 /nfs/dbraw/zinc/94/37/61/801943761.db2.gz PSUFXTBBZRWJNG-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001100853253 801965276 /nfs/dbraw/zinc/96/52/76/801965276.db2.gz AOQGXKVZRYRYAO-DNOWBOINSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(C)C)C2 ZINC001109863382 802124674 /nfs/dbraw/zinc/12/46/74/802124674.db2.gz RXXAPCKZYYKXJD-ILXRZTDVSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C(C1CCC1)C1CCC1 ZINC001164687843 806966057 /nfs/dbraw/zinc/96/60/57/806966057.db2.gz WXNVLLHUMCUBSM-UHFFFAOYSA-N 0 3 298.858 3.051 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC001112693699 802185982 /nfs/dbraw/zinc/18/59/82/802185982.db2.gz NUWKJNMDMIWNNX-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001112723811 802186608 /nfs/dbraw/zinc/18/66/08/802186608.db2.gz CRIKDUZCCWKZRR-KVPUOBJLSA-N 0 3 278.440 3.088 20 30 CGEDHN CC#CCCCC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113232015 802209205 /nfs/dbraw/zinc/20/92/05/802209205.db2.gz ALOKBKYQUDELJZ-QGZVFWFLSA-N 0 3 292.467 3.006 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256791955 806979043 /nfs/dbraw/zinc/97/90/43/806979043.db2.gz GLHPCBJLMKDYQR-OWCLPIDISA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cccc(OC(F)F)c2)C1 ZINC001116541233 802375095 /nfs/dbraw/zinc/37/50/95/802375095.db2.gz BONQWXOHJRWMIY-CQSZACIVSA-N 0 3 283.318 3.065 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC001117504702 802468747 /nfs/dbraw/zinc/46/87/47/802468747.db2.gz YXNZJYLQUUUAEI-LRDDRELGSA-N 0 3 270.376 3.336 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CCc2ccncc21 ZINC001121979356 802854480 /nfs/dbraw/zinc/85/44/80/802854480.db2.gz SDIQNIFAKGOZRV-HNNXBMFYSA-N 0 3 289.423 3.049 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC001122517735 802874320 /nfs/dbraw/zinc/87/43/20/802874320.db2.gz JEKOQQXKLRZRKN-ZDUSSCGKSA-N 0 3 273.380 3.203 20 30 CGEDHN N#CCc1ccc(C2=CNCCC2)cc1C(F)(F)F ZINC001243950126 803096295 /nfs/dbraw/zinc/09/62/95/803096295.db2.gz NNCYYZXTZVHQHF-UHFFFAOYSA-N 0 3 266.266 3.496 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001132227276 803380794 /nfs/dbraw/zinc/38/07/94/803380794.db2.gz BFVCFUXMNSTJOQ-LSDHHAIUSA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCCF)C2)CC1 ZINC001132290584 803392783 /nfs/dbraw/zinc/39/27/83/803392783.db2.gz FJXQULJFWNVJQB-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001136449639 803643940 /nfs/dbraw/zinc/64/39/40/803643940.db2.gz OTPZMAKOTNLONP-WBVHZDCISA-N 0 3 288.435 3.316 20 30 CGEDHN COc1ccc(CN2CCCCC[C@@H]2C)c(C#N)c1 ZINC001137703928 803760267 /nfs/dbraw/zinc/76/02/67/803760267.db2.gz ZDOOXYFLNRHUPL-ZDUSSCGKSA-N 0 3 258.365 3.331 20 30 CGEDHN COCCN(C)Cc1ccnc(-c2cc(C)ccc2C#N)c1 ZINC001245601639 803845727 /nfs/dbraw/zinc/84/57/27/803845727.db2.gz VNBQQDGHVQZLCR-UHFFFAOYSA-N 0 3 295.386 3.007 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc3cc(C)ccc3[nH]2)C1 ZINC001138420152 803927921 /nfs/dbraw/zinc/92/79/21/803927921.db2.gz PMXCDPOEBZTJGW-AWEZNQCLSA-N 0 3 252.361 3.322 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC2(CCO2)CC1 ZINC001138664937 803996726 /nfs/dbraw/zinc/99/67/26/803996726.db2.gz AYMBDVIWDQKCAJ-UHFFFAOYSA-N 0 3 287.403 3.396 20 30 CGEDHN COC(C)(C)[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC001139651818 804244239 /nfs/dbraw/zinc/24/42/39/804244239.db2.gz WAMQQDQNYFNPGH-OAHLLOKOSA-N 0 3 276.355 3.087 20 30 CGEDHN N#Cc1cccc2c(CN3CC4(C3)CCCC4)c[nH]c21 ZINC001139704843 804259692 /nfs/dbraw/zinc/25/96/92/804259692.db2.gz ZEPOWWGQDLEAEV-UHFFFAOYSA-N 0 3 265.360 3.416 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@@H]4CCCO[C@@H]4C3)c[nH]c21 ZINC001139704474 804261227 /nfs/dbraw/zinc/26/12/27/804261227.db2.gz VVIYQKDFEMOOMF-SUMWQHHRSA-N 0 3 295.386 3.040 20 30 CGEDHN Cc1ccc(CN2CC[C@@]3(C2)CCCCO3)cc1C#N ZINC001139723160 804267932 /nfs/dbraw/zinc/26/79/32/804267932.db2.gz SRWIDZFTNGXHMC-QGZVFWFLSA-N 0 3 270.376 3.012 20 30 CGEDHN CN(Cc1ccc2n[nH]cc2c1)Cc1cccc(C#N)c1 ZINC001140389060 804428424 /nfs/dbraw/zinc/42/84/24/804428424.db2.gz KIEAENNSFXAFNZ-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN Cc1cc(Cl)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001141230810 804617536 /nfs/dbraw/zinc/61/75/36/804617536.db2.gz MWOFBYQMDPNLMS-CQSZACIVSA-N 0 3 293.819 3.423 20 30 CGEDHN C#CC1CCN(Cc2cc3cccnc3cc2F)CC1 ZINC001141634866 804659944 /nfs/dbraw/zinc/65/99/44/804659944.db2.gz UUIZSGMQLQJGAE-UHFFFAOYSA-N 0 3 268.335 3.219 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)o1)C1CCCCC1 ZINC001142639771 804745136 /nfs/dbraw/zinc/74/51/36/804745136.db2.gz XKJCIEDKTBKINZ-UHFFFAOYSA-N 0 3 277.364 3.387 20 30 CGEDHN N#CCCN(Cc1cccc2nc[nH]c21)C1CCCC1 ZINC001142687425 804757401 /nfs/dbraw/zinc/75/74/01/804757401.db2.gz RVAMORVFNUNFFL-UHFFFAOYSA-N 0 3 268.364 3.221 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)cc(F)c1F ZINC001143599256 804873349 /nfs/dbraw/zinc/87/33/49/804873349.db2.gz BKDHWCNHZAPVRT-CYBMUJFWSA-N 0 3 295.354 3.047 20 30 CGEDHN CC1(C#N)CCN(Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144415340 804983862 /nfs/dbraw/zinc/98/38/62/804983862.db2.gz FLZDZCFRZAYGGU-UHFFFAOYSA-N 0 3 288.782 3.342 20 30 CGEDHN C#Cc1ccc(CN(C)CCC(=O)c2ccccc2)cc1 ZINC001144576597 805008305 /nfs/dbraw/zinc/00/83/05/805008305.db2.gz OIAWZTSBYNVGKU-UHFFFAOYSA-N 0 3 277.367 3.373 20 30 CGEDHN C[C@@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)CCC1=O ZINC001257017526 807027871 /nfs/dbraw/zinc/02/78/71/807027871.db2.gz VSWJRTQWPCWVHT-RWBZWWBESA-N 0 3 296.414 3.495 20 30 CGEDHN CCCCC[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001257517014 807189829 /nfs/dbraw/zinc/18/98/29/807189829.db2.gz PVFGSDCDTAOKMN-OAHLLOKOSA-N 0 3 286.423 3.044 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H](C)C2CC2)CC1 ZINC001168354900 807391983 /nfs/dbraw/zinc/39/19/83/807391983.db2.gz RCBPLVWESVOSQS-LBPRGKRZSA-N 0 3 298.858 3.051 20 30 CGEDHN CCCCCCC[C@@H](CC(C)C)n1[nH]c(=O)nc1CN ZINC001258713561 807564091 /nfs/dbraw/zinc/56/40/91/807564091.db2.gz ATQBNKDUSZWUFZ-ZDUSSCGKSA-N 0 3 282.432 3.390 20 30 CGEDHN CCCCN(CCC#N)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169695296 807689387 /nfs/dbraw/zinc/68/93/87/807689387.db2.gz VPCNAOLWQYKHIO-OAHLLOKOSA-N 0 3 295.427 3.013 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1cc(C(C)C)oc1C ZINC001169931497 807725826 /nfs/dbraw/zinc/72/58/26/807725826.db2.gz SATVRHBVBJTHMI-UHFFFAOYSA-N 0 3 298.814 3.173 20 30 CGEDHN C#CCN(Cc1cnc2ccc(C)cc2c1)CC1CC1 ZINC001261360795 807737945 /nfs/dbraw/zinc/73/79/45/807737945.db2.gz WTQFUMITASVHEO-UHFFFAOYSA-N 0 3 264.372 3.388 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(C(F)(F)F)c(C)c1 ZINC001261366624 807739174 /nfs/dbraw/zinc/73/91/74/807739174.db2.gz ADDGPGIVRODPRN-GFCCVEGCSA-N 0 3 273.298 3.304 20 30 CGEDHN N#CC1(c2ccccc2)CCC(N2CC[C@@H](F)C2)CC1 ZINC001170379416 807831844 /nfs/dbraw/zinc/83/18/44/807831844.db2.gz XOLIVBQGCQBERJ-KLAILNCOSA-N 0 3 272.367 3.434 20 30 CGEDHN N#C[C@@H]1CCCN([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170701601 807878665 /nfs/dbraw/zinc/87/86/65/807878665.db2.gz QSWMPIAHGFBVSZ-DOMZBBRYSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC001263089716 807933346 /nfs/dbraw/zinc/93/33/46/807933346.db2.gz QGSQJFTUSATLCI-OAHLLOKOSA-N 0 3 299.374 3.272 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001263173717 807937775 /nfs/dbraw/zinc/93/77/75/807937775.db2.gz IJFILNNLHVGITL-GFCCVEGCSA-N 0 3 286.297 3.385 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H](C)c1cscn1 ZINC001171180549 808002318 /nfs/dbraw/zinc/00/23/18/808002318.db2.gz BBTSHXIOYZIJKG-NEPJUHHUSA-N 0 3 271.389 3.297 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCCCC ZINC001264367296 808060244 /nfs/dbraw/zinc/06/02/44/808060244.db2.gz VWNICZYIUIXCFT-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCCCC ZINC001264367295 808060816 /nfs/dbraw/zinc/06/08/16/808060816.db2.gz VWNICZYIUIXCFT-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C#C[C@@H]1CCCN([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171544479 808089240 /nfs/dbraw/zinc/08/92/40/808089240.db2.gz VFPGLPILVNEPMC-YPMHNXCESA-N 0 3 293.332 3.306 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001265221312 808120309 /nfs/dbraw/zinc/12/03/09/808120309.db2.gz XRQLHSVYLBFIMZ-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cccs2)C1 ZINC001265267683 808124178 /nfs/dbraw/zinc/12/41/78/808124178.db2.gz AJSRJWNKDLCCQZ-AWEZNQCLSA-N 0 3 292.448 3.299 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001265306337 808129086 /nfs/dbraw/zinc/12/90/86/808129086.db2.gz NWKABMCGGGYBFK-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN N#Cc1ccc2c(c1)CCN([C@H]1Cc3cccc(F)c3C1)C2 ZINC001171793199 808142091 /nfs/dbraw/zinc/14/20/91/808142091.db2.gz KIBYNDVNDKDILO-KRWDZBQOSA-N 0 3 292.357 3.223 20 30 CGEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCC(=C)Cl ZINC001265998875 808200650 /nfs/dbraw/zinc/20/06/50/808200650.db2.gz VUPPTBSJSYAIMG-GJZGRUSLSA-N 0 3 298.858 3.454 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NC1(CC#N)CCCC1 ZINC001172308201 808222891 /nfs/dbraw/zinc/22/28/91/808222891.db2.gz JCAAIEGNLLNNSA-AWEZNQCLSA-N 0 3 267.376 3.305 20 30 CGEDHN C=CCCCN1CC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001266327527 808243809 /nfs/dbraw/zinc/24/38/09/808243809.db2.gz GWIMVMNFEBPWPL-ZDUSSCGKSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1ccc(CC)s1)C1CC1 ZINC001266600358 808294634 /nfs/dbraw/zinc/29/46/34/808294634.db2.gz RJSUQSZSKNCFPR-UHFFFAOYSA-N 0 3 292.448 3.081 20 30 CGEDHN C[C@H](CCCC#N)NCc1cc(F)cc(F)c1F ZINC001172480284 808344071 /nfs/dbraw/zinc/34/40/71/808344071.db2.gz NYZURSRVHHXJMW-SECBINFHSA-N 0 3 256.271 3.276 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001267104054 808356834 /nfs/dbraw/zinc/35/68/34/808356834.db2.gz LBOBUSTZXLOPPP-IRXDYDNUSA-N 0 3 292.467 3.149 20 30 CGEDHN CCCCCCC[C@@H](CCC)N[C@H]1C=CS(=O)(=O)C1 ZINC001172502477 808358781 /nfs/dbraw/zinc/35/87/81/808358781.db2.gz QCCWTPLDRAYXKV-CABCVRRESA-N 0 3 287.469 3.416 20 30 CGEDHN C[C@H](CCCC#N)N1CCN([C@H](C)c2ccccc2)CC1 ZINC001172503160 808359365 /nfs/dbraw/zinc/35/93/65/808359365.db2.gz YGQAZLFOIIWADW-IAGOWNOFSA-N 0 3 285.435 3.448 20 30 CGEDHN C=C(C)CN(CCNC(=O)C=C1CCCCC1)C1CC1 ZINC001267322699 808416425 /nfs/dbraw/zinc/41/64/25/808416425.db2.gz LULQCLNMPBVYDG-UHFFFAOYSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCN[C@H](CNC(=O)C[C@H]1C=CCCC1)c1ccccc1 ZINC001267362743 808421927 /nfs/dbraw/zinc/42/19/27/808421927.db2.gz VMGPKLSITJNDQX-FUHWJXTLSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2occc2C)C1 ZINC001267539703 808443231 /nfs/dbraw/zinc/44/32/31/808443231.db2.gz POEMMWCCOQSMML-HNNXBMFYSA-N 0 3 290.407 3.091 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\CC ZINC001267704028 808473877 /nfs/dbraw/zinc/47/38/77/808473877.db2.gz CNUDFONJFBFHRQ-GNBKXHOFSA-N 0 3 290.451 3.374 20 30 CGEDHN C=C(C)CCC(=O)NCCC1CCN(C[C@H](F)CC)CC1 ZINC001267943217 808518630 /nfs/dbraw/zinc/51/86/30/808518630.db2.gz FQWIZYXCMMQRBL-MRXNPFEDSA-N 0 3 298.446 3.309 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)CCC1CCC1)C(C)C ZINC001268205616 808557156 /nfs/dbraw/zinc/55/71/56/808557156.db2.gz QKOLYAFEPUSCPR-AWEZNQCLSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCCC(=O)NCC1CN([C@H](C)c2ccccc2C)C1 ZINC001268704343 808612019 /nfs/dbraw/zinc/61/20/19/808612019.db2.gz YUYUKDOXZLBXJI-OAHLLOKOSA-N 0 3 286.419 3.070 20 30 CGEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCCC2(CCCCC2)C1)C(=O)N[O-] ZINC001173346001 808623407 /nfs/dbraw/zinc/62/34/07/808623407.db2.gz JDGSJLJWPFEYNM-ZNMIVQPWSA-N 0 3 296.455 3.389 20 30 CGEDHN C=C(Cl)CNC[C@]1(NC(=O)CCC)CCCC[C@H]1C ZINC001269656704 808694712 /nfs/dbraw/zinc/69/47/12/808694712.db2.gz FHEAJVXILSGXHJ-IUODEOHRSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)C1CN(CC(CC)CC)C1 ZINC001269794616 808705299 /nfs/dbraw/zinc/70/52/99/808705299.db2.gz SEKKUTIDNBGXHR-UHFFFAOYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H](C)CCCCC)C1 ZINC001270631911 808740396 /nfs/dbraw/zinc/74/03/96/808740396.db2.gz GWTZJBJYCRRLSQ-DOTOQJQBSA-N 0 3 280.456 3.360 20 30 CGEDHN CN(C)Cc1ccccc1Nc1ccc(Cl)nc1C#N ZINC001173928122 808767354 /nfs/dbraw/zinc/76/73/54/808767354.db2.gz ZCCMKWFZFYUUPD-UHFFFAOYSA-N 0 3 286.766 3.412 20 30 CGEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N(CC=C)C2 ZINC001272700395 808821319 /nfs/dbraw/zinc/82/13/19/808821319.db2.gz WPMQUYADBFLRDK-GOSISDBHSA-N 0 3 290.451 3.376 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CCCC2CC2)cc1 ZINC001272702035 808822126 /nfs/dbraw/zinc/82/21/26/808822126.db2.gz YHZUFMAIFKKRSI-OAHLLOKOSA-N 0 3 298.430 3.167 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001273464353 808846167 /nfs/dbraw/zinc/84/61/67/808846167.db2.gz BPTFCULNHWPCDX-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CCC(=O)NC/C=C/CNCc1csc(C)c1 ZINC001274069781 808868909 /nfs/dbraw/zinc/86/89/09/808868909.db2.gz YMAIFPACBHEFFS-SNAWJCMRSA-N 0 3 292.448 3.175 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)CCCCC(C)(C)C)C[C@H]1C ZINC001274623886 808879280 /nfs/dbraw/zinc/87/92/80/808879280.db2.gz NTAINPUYGXYKGB-CVEARBPZSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](CCC)C(C)C ZINC001275150652 808916821 /nfs/dbraw/zinc/91/68/21/808916821.db2.gz KYXHGNKBGQQEIM-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1CCCC1CCC1 ZINC001276931967 809047215 /nfs/dbraw/zinc/04/72/15/809047215.db2.gz OVUYRONCZXHGAH-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001277040224 809056021 /nfs/dbraw/zinc/05/60/21/809056021.db2.gz RMFOYDCDSDPFPB-HDJSIYSDSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001277040500 809056670 /nfs/dbraw/zinc/05/66/70/809056670.db2.gz VNXXQKUNWLDORV-ZQDZILKHSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001278642246 809148487 /nfs/dbraw/zinc/14/84/87/809148487.db2.gz XLHXUISZIWYIAL-GOSISDBHSA-N 0 3 292.467 3.361 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cocc1C ZINC001282313969 809240469 /nfs/dbraw/zinc/24/04/69/809240469.db2.gz RIRWIZRIUOQTSB-UHFFFAOYSA-N 0 3 298.814 3.028 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)N(C)Cc1ccc(CC)cc1 ZINC001282365348 809245092 /nfs/dbraw/zinc/24/50/92/809245092.db2.gz VTGZDQVKFWCOCC-OAHLLOKOSA-N 0 3 288.435 3.152 20 30 CGEDHN C=CCOc1cccc(CNCc2cccc(CO)c2)c1 ZINC001177775410 809820336 /nfs/dbraw/zinc/82/03/36/809820336.db2.gz ZGHVLEPCRMTNTK-UHFFFAOYSA-N 0 3 283.371 3.034 20 30 CGEDHN C#C[C@@H](NCc1cccc2c(OC)cccc12)[C@@H]1CCCO1 ZINC001178528914 809873989 /nfs/dbraw/zinc/87/39/89/809873989.db2.gz SQWCWTHZYKKVHX-MJGOQNOKSA-N 0 3 295.382 3.119 20 30 CGEDHN COC1(CNCC#Cc2ccccc2)CCCCCC1 ZINC001184219713 810183608 /nfs/dbraw/zinc/18/36/08/810183608.db2.gz YINBWFYYXOGXMB-UHFFFAOYSA-N 0 3 271.404 3.367 20 30 CGEDHN CN(C)Cc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 ZINC001187295143 810393813 /nfs/dbraw/zinc/39/38/13/810393813.db2.gz QIIFQMNCGPRGBS-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN C=CCN(CC[C@@H](O)C(C)C)Cc1ccc(OC)cc1 ZINC001190457449 810628708 /nfs/dbraw/zinc/62/87/08/810628708.db2.gz LZOWJOWFOYLFGB-QGZVFWFLSA-N 0 3 277.408 3.090 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1CC(C)(N(C)C)C1 ZINC001192931961 810830530 /nfs/dbraw/zinc/83/05/30/810830530.db2.gz WTWLRMHPUZDVAX-AWEZNQCLSA-N 0 3 283.460 3.081 20 30 CGEDHN CC[C@@H]1CCCC[C@H]1N(C)Cc1ccncc1C#N ZINC001193459106 810891136 /nfs/dbraw/zinc/89/11/36/810891136.db2.gz APMDNXMXILITDE-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@@H](c3ccccc3)C2)c1 ZINC001194533491 811087347 /nfs/dbraw/zinc/08/73/47/811087347.db2.gz BTSPFJBOUAPQOB-QGZVFWFLSA-N 0 3 277.371 3.333 20 30 CGEDHN C=CCN(Cc1cccc(OC)c1C)[C@H](C)COC ZINC001196048250 811314030 /nfs/dbraw/zinc/31/40/30/811314030.db2.gz QCJMWWHXKZKGNC-CYBMUJFWSA-N 0 3 263.381 3.027 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC001196310976 811332477 /nfs/dbraw/zinc/33/24/77/811332477.db2.gz CALXQXFTVRCZRR-KGLIPLIRSA-N 0 3 257.377 3.464 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC001196310981 811332896 /nfs/dbraw/zinc/33/28/96/811332896.db2.gz CALXQXFTVRCZRR-ZIAGYGMSSA-N 0 3 257.377 3.464 20 30 CGEDHN C=CCCCN1CCCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001196358904 811336518 /nfs/dbraw/zinc/33/65/18/811336518.db2.gz QCYNKMRRGGTXGN-KRWDZBQOSA-N 0 3 298.446 3.405 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001197943311 811466552 /nfs/dbraw/zinc/46/65/52/811466552.db2.gz PUYXZVHJQAVSLW-OAHLLOKOSA-N 0 3 280.456 3.169 20 30 CGEDHN C#CCN(CCOC1CC1)[C@@H]1CCCc2ccccc21 ZINC001198103150 811476076 /nfs/dbraw/zinc/47/60/76/811476076.db2.gz DEVSSVFTASOBRU-GOSISDBHSA-N 0 3 269.388 3.178 20 30 CGEDHN CCCCCCCN1CCc2nc(Cl)ncc2C1 ZINC001201788019 811964373 /nfs/dbraw/zinc/96/43/73/811964373.db2.gz SLCZPEUOBGOXFX-UHFFFAOYSA-N 0 3 267.804 3.459 20 30 CGEDHN FC[C@@H]1CN(CCCC(F)(F)F)C[C@H]1C(F)(F)F ZINC001202378321 812080118 /nfs/dbraw/zinc/08/01/18/812080118.db2.gz VKYFVPQFEHQGHX-HTQZYQBOSA-N 0 3 281.215 3.409 20 30 CGEDHN CC1(C)CCC2(CCN(Cc3cccc(C#N)c3)CC2)O1 ZINC001203763590 812458164 /nfs/dbraw/zinc/45/81/64/812458164.db2.gz CJQNNJFMYXHYDD-UHFFFAOYSA-N 0 3 284.403 3.482 20 30 CGEDHN C#C[C@H](N[C@@H]1CCC[C@H](OCC)C1)c1ccc(F)cc1 ZINC001205980448 813150231 /nfs/dbraw/zinc/15/02/31/813150231.db2.gz LAXZAFAFJMBGRM-IKGGRYGDSA-N 0 3 275.367 3.437 20 30 CGEDHN C=CCN(Cc1cccnc1OC)C1CCCCC1 ZINC001206602543 813370690 /nfs/dbraw/zinc/37/06/90/813370690.db2.gz GMYWEGVIVIGNPL-UHFFFAOYSA-N 0 3 260.381 3.411 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001207120444 813489309 /nfs/dbraw/zinc/48/93/09/813489309.db2.gz PPYDJIVOHOQXPU-BZUAXINKSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCC/C=C/CN1CCC(=O)N(C)CC1 ZINC001208118858 813698624 /nfs/dbraw/zinc/69/86/24/813698624.db2.gz QKLKMTWJSKWDSV-MDZDMXLPSA-N 0 3 266.429 3.067 20 30 CGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2CCc1cccc(F)c1 ZINC001208199497 813743121 /nfs/dbraw/zinc/74/31/21/813743121.db2.gz QNERUIOESUPHEI-MKZZRHPPSA-N 0 3 258.340 3.135 20 30 CGEDHN N#Cc1cccc(CCCN2CCCC[C@H](F)C2)c1 ZINC001208846270 813863593 /nfs/dbraw/zinc/86/35/93/813863593.db2.gz YWHGXXFDJHGPOB-INIZCTEOSA-N 0 3 260.356 3.315 20 30 CGEDHN Fc1ccc(CCN2CCC(S)CC2)c(Cl)c1 ZINC001209114827 813938216 /nfs/dbraw/zinc/93/82/16/813938216.db2.gz ULTZPACPSBFELR-UHFFFAOYSA-N 0 3 273.804 3.416 20 30 CGEDHN C=CCCCN1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001209161230 813952221 /nfs/dbraw/zinc/95/22/21/813952221.db2.gz JRSNVTQBOXYQFD-OAHLLOKOSA-N 0 3 290.455 3.066 20 30 CGEDHN C=CCCCCCN1CCN(c2ncccc2C)CC1 ZINC001209423378 814025864 /nfs/dbraw/zinc/02/58/64/814025864.db2.gz NOZHDGAOVGHNRA-UHFFFAOYSA-N 0 3 273.424 3.258 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001210308351 814395229 /nfs/dbraw/zinc/39/52/29/814395229.db2.gz YLXKKUIUQFMNKT-BZUAXINKSA-N 0 3 294.483 3.461 20 30 CGEDHN CCCCCCCCC(=O)N1CCC[C@H](NCCF)C1 ZINC001210803932 814636145 /nfs/dbraw/zinc/63/61/45/814636145.db2.gz BYETWGWYFQHTFC-HNNXBMFYSA-N 0 3 286.435 3.287 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001211389513 814888540 /nfs/dbraw/zinc/88/85/40/814888540.db2.gz UUCRAOHYECWIGA-OWCLPIDISA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCCCCC)[C@@H]2C1 ZINC001221993785 816339343 /nfs/dbraw/zinc/33/93/43/816339343.db2.gz ZCHREFZMIGPFSP-HZPDHXFCSA-N 0 3 278.440 3.066 20 30 CGEDHN N#CCCCCCCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224369595 816786983 /nfs/dbraw/zinc/78/69/83/816786983.db2.gz MFYXPOWEONAMQG-QAQDUYKDSA-N 0 3 294.439 3.120 20 30 CGEDHN C=CCCCCCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224428345 816799812 /nfs/dbraw/zinc/79/98/12/816799812.db2.gz VECHEFVLJMOTSZ-QAQDUYKDSA-N 0 3 281.440 3.393 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001226522715 817386044 /nfs/dbraw/zinc/38/60/44/817386044.db2.gz GJTUOJSWZAIRGX-ZIAGYGMSSA-N 0 3 284.831 3.112 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OCCC)C2)c1 ZINC001231623762 818139367 /nfs/dbraw/zinc/13/93/67/818139367.db2.gz UUTLNOTZHPOVGD-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN CN(CCc1ccc(Cl)cc1)Cc1cc(C#N)ccn1 ZINC001232479813 818364582 /nfs/dbraw/zinc/36/45/82/818364582.db2.gz ZUEQEFIHOHXFQC-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3ncsc3c2)C1 ZINC001232743425 818430305 /nfs/dbraw/zinc/43/03/05/818430305.db2.gz UUXVQDIXOJRPNW-GFCCVEGCSA-N 0 3 256.374 3.142 20 30 CGEDHN N#C[C@H]1CCCN(Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232822278 818449027 /nfs/dbraw/zinc/44/90/27/818449027.db2.gz LVVQGPNAZUTDQJ-NSHDSACASA-N 0 3 288.782 3.342 20 30 CGEDHN COc1ncc(CN2CCC[C@@H](C#N)CC2)c2ccccc21 ZINC001232951306 818481381 /nfs/dbraw/zinc/48/13/81/818481381.db2.gz FBTJQPGDJCDNTA-CQSZACIVSA-N 0 3 295.386 3.369 20 30 CGEDHN C[C@@H]1CCCCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233096713 818520673 /nfs/dbraw/zinc/52/06/73/818520673.db2.gz KMPCAURLTZDBNU-CYBMUJFWSA-N 0 3 289.398 3.385 20 30 CGEDHN CC[C@@H]1CCCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233101596 818520698 /nfs/dbraw/zinc/52/06/98/818520698.db2.gz ANZMNCUEAINVKD-CYBMUJFWSA-N 0 3 289.398 3.385 20 30 CGEDHN CCCCCN(C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233097534 818521481 /nfs/dbraw/zinc/52/14/81/818521481.db2.gz TZMYHVIOJMLRNG-UHFFFAOYSA-N 0 3 277.387 3.385 20 30 CGEDHN C=CCCCCN(C)Cc1cc(C(=O)OCC)ccn1 ZINC001233327565 818579705 /nfs/dbraw/zinc/57/97/05/818579705.db2.gz ZEEGPNNIZQZZGY-UHFFFAOYSA-N 0 3 276.380 3.046 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233531452 818634644 /nfs/dbraw/zinc/63/46/44/818634644.db2.gz ZFVBWYLMBZGAEQ-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233682897 818680271 /nfs/dbraw/zinc/68/02/71/818680271.db2.gz KTEJLJZCSZOPFC-OAHLLOKOSA-N 0 3 294.414 3.283 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(-n2ccnc2)c(OC)c1 ZINC001234066689 818771954 /nfs/dbraw/zinc/77/19/54/818771954.db2.gz MPXJUFJZFVYOBF-UHFFFAOYSA-N 0 3 283.375 3.055 20 30 CGEDHN C#C[C@H](CCCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234242816 818813191 /nfs/dbraw/zinc/81/31/91/818813191.db2.gz CVEACDGOYGBSCK-CQSZACIVSA-N 0 3 293.382 3.467 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001234604696 818890230 /nfs/dbraw/zinc/89/02/30/818890230.db2.gz TXVYIFDMCOOOSK-MWWKQMNYSA-N 0 3 278.440 3.232 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3sc(C)nc3c2)C1 ZINC001235861740 819189478 /nfs/dbraw/zinc/18/94/78/819189478.db2.gz DSPTXOBDHCNAOB-ZDUSSCGKSA-N 0 3 270.401 3.450 20 30 CGEDHN CN(Cc1ccc(-c2ccc(C#N)cc2F)nc1)C1CC1 ZINC001236527080 819518587 /nfs/dbraw/zinc/51/85/87/819518587.db2.gz KTWANJXTYGXBKD-UHFFFAOYSA-N 0 3 281.334 3.354 20 30 CGEDHN C#CC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237055993 819654077 /nfs/dbraw/zinc/65/40/77/819654077.db2.gz TXSHHUYFYSTNKX-UHFFFAOYSA-N 0 3 257.377 3.361 20 30 CGEDHN C=CCOc1ccccc1CN1CCNC2=CCCC[C@H]21 ZINC001237224598 819703352 /nfs/dbraw/zinc/70/33/52/819703352.db2.gz GYDSSIDEHVJVOY-QGZVFWFLSA-N 0 3 284.403 3.093 20 30 CGEDHN Cn1cc(CN2CCC3(CC3)CC2)c2cc(C#N)ccc21 ZINC001237469651 819758947 /nfs/dbraw/zinc/75/89/47/819758947.db2.gz XCKONZIFHCMPJC-UHFFFAOYSA-N 0 3 279.387 3.426 20 30 CGEDHN Cc1cc(Cl)cc(C[NH+]2CCC(S)CC2)c1[O-] ZINC001237686714 819806751 /nfs/dbraw/zinc/80/67/51/819806751.db2.gz LWZLTBPYFLKZGR-UHFFFAOYSA-N 0 3 271.813 3.248 20 30 CGEDHN CCc1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)ccc1C#N ZINC001238760336 820110144 /nfs/dbraw/zinc/11/01/44/820110144.db2.gz HWHJQFNQDIZROR-FUHWJXTLSA-N 0 3 284.403 3.122 20 30 CGEDHN CCc1cc(CN2CCC(S)CC2)ccc1C#N ZINC001238778488 820117049 /nfs/dbraw/zinc/11/70/49/820117049.db2.gz NRPRYBAIJHNKLF-UHFFFAOYSA-N 0 3 260.406 3.015 20 30 CGEDHN N#Cc1ccc(C2=CCN(Cc3ccccc3)CC2)nc1F ZINC001241502360 821904243 /nfs/dbraw/zinc/90/42/43/821904243.db2.gz HECSQBDGIRZKBA-UHFFFAOYSA-N 0 3 293.345 3.382 20 30 CGEDHN N#Cc1ncccc1-c1ccc(F)c(CN2CCCC2)c1 ZINC001242313138 822948398 /nfs/dbraw/zinc/94/83/98/822948398.db2.gz SAXMRAZGNQMTOU-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C=C(C)CCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC001339012917 936344252 /nfs/dbraw/zinc/34/42/52/936344252.db2.gz ULKDHNBASIDVAH-SJLPKXTDSA-N 0 3 298.430 3.486 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001340605472 936408906 /nfs/dbraw/zinc/40/89/06/936408906.db2.gz ZCNCNBIVEKXXHY-XJKSGUPXSA-N 0 3 292.398 3.419 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC)c1cc(F)ccc1F ZINC001340728674 936412366 /nfs/dbraw/zinc/41/23/66/936412366.db2.gz UWLXYNLZEOFUFX-HUUCEWRRSA-N 0 3 296.361 3.216 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC001341485523 936439378 /nfs/dbraw/zinc/43/93/78/936439378.db2.gz ZMMCGGMMUXJDBB-OIISXLGYSA-N 0 3 286.419 3.075 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(C)cc1SC ZINC001343320071 936494377 /nfs/dbraw/zinc/49/43/77/936494377.db2.gz CEKJKKDQWGVQEF-CQSZACIVSA-N 0 3 292.448 3.017 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC1(C)CCCC1 ZINC001344322369 936529328 /nfs/dbraw/zinc/52/93/28/936529328.db2.gz MWFUWYHUGBJBCI-GFCCVEGCSA-N 0 3 259.353 3.050 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC1(C)CCCC1 ZINC001344322370 936529596 /nfs/dbraw/zinc/52/95/96/936529596.db2.gz MWFUWYHUGBJBCI-LBPRGKRZSA-N 0 3 259.353 3.050 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(Cl)cc(C)c1OC ZINC001344344638 936530714 /nfs/dbraw/zinc/53/07/14/936530714.db2.gz RMYLSSUDFPTJKL-LBPRGKRZSA-N 0 3 296.798 3.279 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(C)s1 ZINC001344875168 936547556 /nfs/dbraw/zinc/54/75/56/936547556.db2.gz NLWQJFYOJLRBIG-ZDUSSCGKSA-N 0 3 287.388 3.082 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cnc3ccc(C)cc3c2)C1 ZINC001345030095 936798202 /nfs/dbraw/zinc/79/82/02/936798202.db2.gz NCLLPBKQSIGEFW-QGZVFWFLSA-N 0 3 282.387 3.320 20 30 CGEDHN Cn1ccc2c1cccc2C([O-])=C(C#N)c1cccc(F)n1 ZINC001347107003 936870016 /nfs/dbraw/zinc/87/00/16/936870016.db2.gz KUPIJEOGJNBNFU-CYBMUJFWSA-N 0 3 293.301 3.202 20 30 CGEDHN Cn1ccc2c1cccc2C(=O)C(C#N)c1cccc(F)n1 ZINC001347107003 936870018 /nfs/dbraw/zinc/87/00/18/936870018.db2.gz KUPIJEOGJNBNFU-CYBMUJFWSA-N 0 3 293.301 3.202 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2cccc(F)n2)cc(Cl)n1 ZINC001347168951 936872740 /nfs/dbraw/zinc/87/27/40/936872740.db2.gz ASJUPLQOIUCCTH-SNVBAGLBSA-N 0 3 289.697 3.068 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1cnn(CC)c1C ZINC001354579462 937106216 /nfs/dbraw/zinc/10/62/16/937106216.db2.gz ATBRQBNQQALKQU-AWEZNQCLSA-N 0 3 294.443 3.228 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(CSC)c1 ZINC001353314717 926914627 /nfs/dbraw/zinc/91/46/27/926914627.db2.gz WNKSCMRBNDUZNO-CQSZACIVSA-N 0 3 278.421 3.172 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CC(C)(C)C ZINC001481677703 927054556 /nfs/dbraw/zinc/05/45/56/927054556.db2.gz JRWCYCDVXURRRO-PMPSAXMXSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)CCCC2CCCCC2)C1 ZINC001481749577 927079099 /nfs/dbraw/zinc/07/90/99/927079099.db2.gz AFDMZOVOQSWUJF-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)ccc1OC(C)C ZINC001357241610 937167912 /nfs/dbraw/zinc/16/79/12/937167912.db2.gz FKIAVXPGSDAMMD-CYBMUJFWSA-N 0 3 294.370 3.235 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001483694669 927578494 /nfs/dbraw/zinc/57/84/94/927578494.db2.gz CXHJKQYXZQWVIN-HNNXBMFYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](CC)CC(C)C ZINC001485071923 927802159 /nfs/dbraw/zinc/80/21/59/927802159.db2.gz ABHHAFSKEPGTIJ-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)CCCC ZINC001485478039 927876303 /nfs/dbraw/zinc/87/63/03/927876303.db2.gz MTLJEICMXMMOHG-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H](C)CCCC ZINC001485478040 927877811 /nfs/dbraw/zinc/87/78/11/927877811.db2.gz MTLJEICMXMMOHG-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001485694199 927905170 /nfs/dbraw/zinc/90/51/70/927905170.db2.gz AMHZVZZYKLLSTM-NGFQHRJXSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CC2CCC1CC2)C(C)C ZINC001486380504 928013803 /nfs/dbraw/zinc/01/38/03/928013803.db2.gz JIALDPLSYPEOOH-OFLPRAFFSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CC(C)C)CCCC1 ZINC001488702957 928296913 /nfs/dbraw/zinc/29/69/13/928296913.db2.gz MLBYWAKQUJNHQI-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN COC[C@H](CN(CCC#N)CCC(C)C)C(C)C ZINC001459610265 937493488 /nfs/dbraw/zinc/49/34/88/937493488.db2.gz PKFZHCZRNDXBDN-HNNXBMFYSA-N 0 3 254.418 3.167 20 30 CGEDHN C=CC[C@@H]1CCCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC001460364776 937528670 /nfs/dbraw/zinc/52/86/70/937528670.db2.gz SUAJZTGWCGJTPR-OAHLLOKOSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN(CCOC1CCCCCC1)[C@@H](C)COC ZINC001460408133 937529522 /nfs/dbraw/zinc/52/95/22/937529522.db2.gz LLSUNJDLSXSPSM-HNNXBMFYSA-N 0 3 269.429 3.249 20 30 CGEDHN C#C[C@H](CCCC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228945942 932057784 /nfs/dbraw/zinc/05/77/84/932057784.db2.gz YJCMMIFEKYSOND-MRXNPFEDSA-N 0 3 257.377 3.245 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCC ZINC001230620319 932598745 /nfs/dbraw/zinc/59/87/45/932598745.db2.gz VLKLWBMZWQZLPO-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN CN1CCC(Oc2c(C#N)cccc2C(C)(C)C)CC1 ZINC001230632611 932600868 /nfs/dbraw/zinc/60/08/68/932600868.db2.gz LBBLXXPXZZLMFU-UHFFFAOYSA-N 0 3 272.392 3.329 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001230703750 932611634 /nfs/dbraw/zinc/61/16/34/932611634.db2.gz ZPWPAZPEWUKJSJ-ZFWWWQNUSA-N 0 3 290.407 3.089 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001316599101 932743230 /nfs/dbraw/zinc/74/32/30/932743230.db2.gz AOHBMJVBICFBJP-CABCVRRESA-N 0 3 290.407 3.089 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cc(F)cc(OCC)c2)C1 ZINC001462369302 937636192 /nfs/dbraw/zinc/63/61/92/937636192.db2.gz SUYNFXQAKCDMMU-AWEZNQCLSA-N 0 3 275.367 3.460 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C1 ZINC001462464004 937642923 /nfs/dbraw/zinc/64/29/23/937642923.db2.gz XSJDVUPEBGVGBI-ZDUSSCGKSA-N 0 3 290.407 3.323 20 30 CGEDHN C=CCN(CCCOC(F)(F)F)Cc1cccc(C#N)c1 ZINC001307440042 932953233 /nfs/dbraw/zinc/95/32/33/932953233.db2.gz KOZCZZKJQQSDIA-UHFFFAOYSA-N 0 3 298.308 3.473 20 30 CGEDHN C#CCN(CC1CC1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001307587686 932973831 /nfs/dbraw/zinc/97/38/31/932973831.db2.gz CQBWJFHJXYHKOS-ZDUSSCGKSA-N 0 3 272.348 3.309 20 30 CGEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C1 ZINC001307915894 933021082 /nfs/dbraw/zinc/02/10/82/933021082.db2.gz ZEOQORXKRUTDIP-GVDBMIGSSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CCC[C@@H](C2CCCC2)C1 ZINC001308157893 933059305 /nfs/dbraw/zinc/05/93/05/933059305.db2.gz QIVXEDMBGKNDBM-HUUCEWRRSA-N 0 3 265.397 3.006 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc3cc[nH]c3c2)cc1 ZINC001308408480 933106911 /nfs/dbraw/zinc/10/69/11/933106911.db2.gz JVOFNFKPDKTVIV-UHFFFAOYSA-N 0 3 290.366 3.470 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@H]1CSc2ccccc2O1 ZINC001308837197 933187045 /nfs/dbraw/zinc/18/70/45/933187045.db2.gz YFMRWSMFKQVMOG-INIZCTEOSA-N 0 3 295.407 3.181 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](CC)CCCCCC)C1 ZINC001317061913 933523491 /nfs/dbraw/zinc/52/34/91/933523491.db2.gz OZIPMTSERMFXGX-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001317177124 933548108 /nfs/dbraw/zinc/54/81/08/933548108.db2.gz RTNYRQTWVJTAKR-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(CCNC(=O)C12CCC(CC1)CC2)C1CC1 ZINC001317561286 933619451 /nfs/dbraw/zinc/61/94/51/933619451.db2.gz JASYGXWAXDXLLG-UHFFFAOYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN(CCNC(=O)C(C)(C)CC(C)C)C1CC1 ZINC001317558338 933620876 /nfs/dbraw/zinc/62/08/76/933620876.db2.gz GGXXXVTVOUVAEV-UHFFFAOYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN[C@H](CNC(=O)C(C)(CC)CC)c1ccccc1 ZINC001317727422 933638603 /nfs/dbraw/zinc/63/86/03/933638603.db2.gz RMLPLSJUKANMIX-MRXNPFEDSA-N 0 3 288.435 3.446 20 30 CGEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)CCC1 ZINC001318215565 933695495 /nfs/dbraw/zinc/69/54/95/933695495.db2.gz HDADUNAJAOLULW-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(C(F)F)c1 ZINC001320072447 933991921 /nfs/dbraw/zinc/99/19/21/933991921.db2.gz IGTMUODIDBYIKV-UHFFFAOYSA-N 0 3 296.361 3.204 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(SC(F)F)cc1 ZINC001320294304 934025144 /nfs/dbraw/zinc/02/51/44/934025144.db2.gz KURRJBHLJXRULK-NSHDSACASA-N 0 3 273.348 3.292 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001323318894 934384716 /nfs/dbraw/zinc/38/47/16/934384716.db2.gz OUXQFCNKXDMBRN-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1cc(C)c(F)c(C)c1 ZINC001324023684 934449542 /nfs/dbraw/zinc/44/95/42/934449542.db2.gz YRKKNCYUQLVIEM-OCCSQVGLSA-N 0 3 251.345 3.294 20 30 CGEDHN C=C(CC)CN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001473382514 937804068 /nfs/dbraw/zinc/80/40/68/937804068.db2.gz YLPKRRNNOYZIIC-KRWDZBQOSA-N 0 3 294.439 3.428 20 30 CGEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCCC(C)C)C1 ZINC001324961843 934876594 /nfs/dbraw/zinc/87/65/94/934876594.db2.gz VIFHGAIUKFJXMQ-GOSISDBHSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1(CC)CC1 ZINC001326459279 934981267 /nfs/dbraw/zinc/98/12/67/934981267.db2.gz ZCXWXXKXNUMVIH-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN C#CCCN(CCOC)Cc1cc(Cl)cc(Cl)c1 ZINC001473669463 937816610 /nfs/dbraw/zinc/81/66/10/937816610.db2.gz MLFCTBKFWSJQSY-UHFFFAOYSA-N 0 3 286.202 3.465 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)C(=C)C)cc1 ZINC001326481233 934983228 /nfs/dbraw/zinc/98/32/28/934983228.db2.gz QGPKVAINHLMIPY-HNNXBMFYSA-N 0 3 298.430 3.189 20 30 CGEDHN C=CCCC(=O)NCc1cccc2c1CCN(CC(=C)C)C2 ZINC001326671065 934997754 /nfs/dbraw/zinc/99/77/54/934997754.db2.gz VCTSELUHBXTJEY-UHFFFAOYSA-N 0 3 298.430 3.203 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccoc1CC ZINC001330802515 935324293 /nfs/dbraw/zinc/32/42/93/935324293.db2.gz UZUMPDGWJCCXPA-LBPRGKRZSA-N 0 3 298.814 3.083 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001333749306 936062630 /nfs/dbraw/zinc/06/26/30/936062630.db2.gz HOLJAHHRQACEGW-TUKIKUTGSA-N 0 3 292.810 3.066 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001333749307 936063385 /nfs/dbraw/zinc/06/33/85/936063385.db2.gz HOLJAHHRQACEGW-UGFHNGPFSA-N 0 3 292.810 3.066 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CCC ZINC001337257355 936246354 /nfs/dbraw/zinc/24/63/54/936246354.db2.gz CZWBDASKJHRUTR-LSDHHAIUSA-N 0 3 266.429 3.112 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001473772692 937821097 /nfs/dbraw/zinc/82/10/97/937821097.db2.gz CCPKAOQEDYSFOC-CJNGLKHVSA-N 0 3 261.340 3.081 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3cnccc32)s1 ZINC001474184102 937842790 /nfs/dbraw/zinc/84/27/90/937842790.db2.gz PEPGPEBUDNWLOY-UHFFFAOYSA-N 0 3 279.368 3.458 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC)CCCC)[C@H]1C ZINC001479698498 937924423 /nfs/dbraw/zinc/92/44/23/937924423.db2.gz IYPPBZBUAOBKBE-OAGGEKHMSA-N 0 3 280.456 3.358 20 30 CGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001480733651 937943216 /nfs/dbraw/zinc/94/32/16/937943216.db2.gz QLNUBQOLQAOLDJ-QGZVFWFLSA-N 0 3 292.467 3.149 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)[C@H]1CCC[C@@H]1CCC ZINC001493300748 937949212 /nfs/dbraw/zinc/94/92/12/937949212.db2.gz RXPHMHMKSGTSFT-IRXDYDNUSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC001493880983 937951708 /nfs/dbraw/zinc/95/17/08/937951708.db2.gz SVUGYXIEQHNUQD-QGZVFWFLSA-N 0 3 298.361 3.072 20 30 CGEDHN C#CCCN1CC[C@@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001494794398 937956181 /nfs/dbraw/zinc/95/61/81/937956181.db2.gz UUXHPAAMVRGGKW-AEFFLSMTSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)/C=C/C(C)(C)C)C(C)C ZINC001496535597 937962964 /nfs/dbraw/zinc/96/29/64/937962964.db2.gz USYKDBLALRYRBI-SBDDDAINSA-N 0 3 286.847 3.072 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H](C=C)c1ccccc1 ZINC001499123839 937972606 /nfs/dbraw/zinc/97/26/06/937972606.db2.gz CXWHRIFISHIRSD-FUHWJXTLSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN[C@@H](CNC(=O)/C(C)=C\C)c1ccccc1CC ZINC001501019537 937978570 /nfs/dbraw/zinc/97/85/70/937978570.db2.gz RHTYZXNURCXQAH-ZRBJYGNNSA-N 0 3 286.419 3.148 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001501615092 937980137 /nfs/dbraw/zinc/98/01/37/937980137.db2.gz LGXICKHFDOHPFZ-RBSFLKMASA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)C(C)(C)CCC)C1 ZINC001505515385 937985977 /nfs/dbraw/zinc/98/59/77/937985977.db2.gz VPOLSWLSVFHZKV-UHFFFAOYSA-N 0 3 286.847 3.050 20 30 CGEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001506567046 937990857 /nfs/dbraw/zinc/99/08/57/937990857.db2.gz XKIOUMLKMPTZRR-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C(C)(C)Cc1ccccc1 ZINC001517064660 938011007 /nfs/dbraw/zinc/01/10/07/938011007.db2.gz MVFCDRVAWFIHEL-OAHLLOKOSA-N 0 3 295.386 3.348 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(C)CCCCC1 ZINC001520036380 938022575 /nfs/dbraw/zinc/02/25/75/938022575.db2.gz MGMJTBYKWJMMNI-LBPRGKRZSA-N 0 3 259.353 3.050 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CCC)CC1 ZINC001520715008 938027013 /nfs/dbraw/zinc/02/70/13/938027013.db2.gz MBLLVUOWNGQOAX-MRXNPFEDSA-N 0 3 293.455 3.001 20 30 CGEDHN C=C(CC)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC001520895449 938028442 /nfs/dbraw/zinc/02/84/42/938028442.db2.gz JHQVOHPAEVDCMB-UHFFFAOYSA-N 0 3 294.826 3.196 20 30 CGEDHN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001527018678 938059918 /nfs/dbraw/zinc/05/99/18/938059918.db2.gz CYOXRGLROOZRQO-YUSALJHKSA-N 0 3 278.302 3.218 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001537815631 938113631 /nfs/dbraw/zinc/11/36/31/938113631.db2.gz WRTYAVNMWLPAQT-RKVPGOIHSA-N 0 3 288.435 3.396 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(Cl)ccc1F ZINC001559681886 938232915 /nfs/dbraw/zinc/23/29/15/938232915.db2.gz SSBHKHXRIHCVFU-ZYHUDNBSSA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001559688775 938233046 /nfs/dbraw/zinc/23/30/46/938233046.db2.gz CSKLXQNVFCAVHI-SJORKVTESA-N 0 3 275.392 3.268 20 30 CGEDHN C#CC[C@@H]1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001560136377 938244810 /nfs/dbraw/zinc/24/48/10/938244810.db2.gz RHPFGUYKNCORFC-IAQYHMDHSA-N 0 3 298.213 3.372 20 30 CGEDHN C#C[C@@H]1CCCCN1Cc1ccc2cnccc2c1 ZINC001560210188 938247450 /nfs/dbraw/zinc/24/74/50/938247450.db2.gz NTDGJFZPVQWWGJ-QGZVFWFLSA-N 0 3 250.345 3.223 20 30 CGEDHN N#CC1CCN(CCCc2ccc(F)c(F)c2)CC1 ZINC001560654222 938268138 /nfs/dbraw/zinc/26/81/38/938268138.db2.gz GUSFSKUMSDGHFX-UHFFFAOYSA-N 0 3 264.319 3.133 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@]1(C)CCCCO1 ZINC001560821810 938277972 /nfs/dbraw/zinc/27/79/72/938277972.db2.gz BZOUYJPIEOXVNQ-QGZVFWFLSA-N 0 3 257.377 3.081 20 30 CGEDHN C#CCC[C@H](O)CN[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC001560991107 938288391 /nfs/dbraw/zinc/28/83/91/938288391.db2.gz CJIRDEQXGZBAQW-QAPCUYQASA-N 0 3 294.398 3.174 20 30 CGEDHN C=CCCCCCCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001564883485 960699467 /nfs/dbraw/zinc/69/94/67/960699467.db2.gz GPHFRCRJXJNCLZ-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@](C)(CC)CCC)[C@H]1CC ZINC001566024694 960863371 /nfs/dbraw/zinc/86/33/71/960863371.db2.gz PUNGHTDMEPXQKY-UXLLHSPISA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C(C)=C2CCC2)CC1 ZINC001566698005 960989303 /nfs/dbraw/zinc/98/93/03/960989303.db2.gz WDIZYRAOGWXILT-UHFFFAOYSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC001566918383 961055944 /nfs/dbraw/zinc/05/59/44/961055944.db2.gz PYAUFSQNXUPVGZ-FJVVXJACSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001567322631 961282130 /nfs/dbraw/zinc/28/21/30/961282130.db2.gz DFLNAKNMYDZAPJ-UHFFFAOYSA-N 0 3 298.430 3.492 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccccc1C ZINC001567301846 961283912 /nfs/dbraw/zinc/28/39/12/961283912.db2.gz KESPCYLJGPFMBG-SFHVURJKSA-N 0 3 288.435 3.145 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1ccccc1C)c1ccccc1 ZINC001567656483 961384057 /nfs/dbraw/zinc/38/40/57/961384057.db2.gz PMUHRMBPNDMPCB-GOSISDBHSA-N 0 3 294.398 3.242 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](CCCC)C(C)C)C1 ZINC001567928134 961468577 /nfs/dbraw/zinc/46/85/77/961468577.db2.gz CBRDFHVEVSRFIE-DLBZAZTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)CC(C)C)cc2C1 ZINC001570311374 961943734 /nfs/dbraw/zinc/94/37/34/961943734.db2.gz VEOSXTVIRXCMTP-UHFFFAOYSA-N 0 3 286.419 3.241 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(C)CCC(C)CC1 ZINC001570547102 961999003 /nfs/dbraw/zinc/99/90/03/961999003.db2.gz AIIVEIWHWISISL-PQUAAJSLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](CCC)c1ccccc1 ZINC001570750412 962066909 /nfs/dbraw/zinc/06/69/09/962066909.db2.gz RPICNXOTFGHVRA-NVXWUHKLSA-N 0 3 288.435 3.193 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@]12CCC[C@@H]1N(CC=C)CC2 ZINC001571500731 962170054 /nfs/dbraw/zinc/17/00/54/962170054.db2.gz HMVGXRJNRCXFBT-WMZOPIPTSA-N 0 3 288.435 3.054 20 30 CGEDHN C=C(C)CCC(=O)NCC1=CCN(Cc2ccccc2)CC1 ZINC001571688642 962210781 /nfs/dbraw/zinc/21/07/81/962210781.db2.gz UCMWQOFLOLBQEI-UHFFFAOYSA-N 0 3 298.430 3.291 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)[C@H](N)C1CCCCC1 ZINC001574872903 962321812 /nfs/dbraw/zinc/32/18/12/962321812.db2.gz WEZHXPYBHGMXKG-CQSZACIVSA-N 0 3 266.429 3.003 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)C[C@H]1NCc2ccccc21 ZINC001579519852 962625541 /nfs/dbraw/zinc/62/55/41/962625541.db2.gz OZXBWEVNLLREBJ-QGZVFWFLSA-N 0 3 291.354 3.040 20 30 CGEDHN C=CCCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001587021334 963165768 /nfs/dbraw/zinc/16/57/68/963165768.db2.gz JSIZTGIXGNXDEH-QGZVFWFLSA-N 0 3 298.446 3.452 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cn3ccc(C)cc3n2)C1 ZINC000651705487 398271840 /nfs/dbraw/zinc/27/18/40/398271840.db2.gz UXPZGXFYENMHHG-CABCVRRESA-N 0 3 269.392 3.477 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cn3c(cccc3C)n2)C1 ZINC000651700696 398271222 /nfs/dbraw/zinc/27/12/22/398271222.db2.gz PHTKCHUINVWNMR-CABCVRRESA-N 0 3 269.392 3.477 20 30 CGEDHN C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nnc(C(C)C)[n-]2)C1 ZINC000651745968 398280651 /nfs/dbraw/zinc/28/06/51/398280651.db2.gz BSMDSQRJXXOBGD-YNEHKIRRSA-N 0 3 262.401 3.324 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2nnc(C(C)C)[nH]2)C1 ZINC000651745968 398280656 /nfs/dbraw/zinc/28/06/56/398280656.db2.gz BSMDSQRJXXOBGD-YNEHKIRRSA-N 0 3 262.401 3.324 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nn(C)c3ccccc23)C1 ZINC000651762422 398284200 /nfs/dbraw/zinc/28/42/00/398284200.db2.gz UIFXKDIPYQGCLV-KGLIPLIRSA-N 0 3 269.392 3.408 20 30 CGEDHN COCC[C@H](NCc1ccccc1C#N)C(C)(C)C ZINC000337944908 214324929 /nfs/dbraw/zinc/32/49/29/214324929.db2.gz QYIMHSSLWJVSHO-HNNXBMFYSA-N 0 3 260.381 3.099 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@H]1CCO[C@H](C)C1 ZINC000352721408 282161947 /nfs/dbraw/zinc/16/19/47/282161947.db2.gz MEOSZFFOBDLINI-ZBFHGGJFSA-N 0 3 266.429 3.453 20 30 CGEDHN C=C(C)CN1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000590929940 346888900 /nfs/dbraw/zinc/88/89/00/346888900.db2.gz HLDDRTPFMXWBIF-OAHLLOKOSA-N 0 3 270.420 3.478 20 30 CGEDHN COc1cccc(-c2n[nH]cc2CNCC(C)(C)CC#N)c1 ZINC000590970642 346892028 /nfs/dbraw/zinc/89/20/28/346892028.db2.gz MSLHWWPETJFNEU-UHFFFAOYSA-N 0 3 298.390 3.115 20 30 CGEDHN C[C@H](CCC#N)N1CCC(OCc2ccccc2F)CC1 ZINC000591022447 346895239 /nfs/dbraw/zinc/89/52/39/346895239.db2.gz KOOKUBDQSJYNPF-CQSZACIVSA-N 0 3 290.382 3.499 20 30 CGEDHN CC[C@@H](CSC)N[C@H](C)c1ccc(C#N)cc1F ZINC000358578628 529532177 /nfs/dbraw/zinc/53/21/77/529532177.db2.gz VVIZUJXLYMKCND-PWSUYJOCSA-N 0 3 266.385 3.490 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCc2c1cc(F)cc2F ZINC000591243320 346910828 /nfs/dbraw/zinc/91/08/28/346910828.db2.gz GLNSXQQVLZFDKB-AWEZNQCLSA-N 0 3 264.319 3.482 20 30 CGEDHN C=CCOCCNCc1cc(OC)cc(C(F)(F)F)c1 ZINC000623487433 349818194 /nfs/dbraw/zinc/81/81/94/349818194.db2.gz BGBGZJVATLJRLV-UHFFFAOYSA-N 0 3 289.297 3.006 20 30 CGEDHN C[C@H]1CC(C)(C)CC[C@H]1NCc1ccncc1C#N ZINC000592106915 346963435 /nfs/dbraw/zinc/96/34/35/346963435.db2.gz VJTFZECKSGDXPN-SWLSCSKDSA-N 0 3 257.381 3.258 20 30 CGEDHN CC(C)[C@H](NCc1ccccc1C#N)C1(CO)CC=CC1 ZINC000592177164 346969422 /nfs/dbraw/zinc/96/94/22/346969422.db2.gz MCKVQXDISZNUMS-KRWDZBQOSA-N 0 3 284.403 3.001 20 30 CGEDHN Cc1nn(C)cc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000335953800 282301806 /nfs/dbraw/zinc/30/18/06/282301806.db2.gz ROBNANYDWWLZJS-SGTLLEGYSA-N 0 3 294.402 3.328 20 30 CGEDHN N#CCCOCCN1CCCC[C@H]1Cc1ccccc1F ZINC000593085000 347037583 /nfs/dbraw/zinc/03/75/83/347037583.db2.gz VQLGBRSHLOEJBO-INIZCTEOSA-N 0 3 290.382 3.153 20 30 CGEDHN CN(Cc1cc(C#N)n(C)c1)Cc1cccc2[nH]ccc21 ZINC000426393974 529976270 /nfs/dbraw/zinc/97/62/70/529976270.db2.gz HYQORCMXMGRRAM-UHFFFAOYSA-N 0 3 278.359 3.010 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C)c(F)c2)nc(C)n1 ZINC000041562188 344972037 /nfs/dbraw/zinc/97/20/37/344972037.db2.gz DWNQCYHYDZBHRP-CYBMUJFWSA-N 0 3 283.306 3.031 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CCC)c1cc(C)sc1C ZINC000623945837 349924120 /nfs/dbraw/zinc/92/41/20/349924120.db2.gz DZEOFJOGXVPLEV-AWEZNQCLSA-N 0 3 280.437 3.098 20 30 CGEDHN N#Cc1ccc(N[C@@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1 ZINC000061981232 345236789 /nfs/dbraw/zinc/23/67/89/345236789.db2.gz LHSCUAIYLAMNNR-LLVKDONJSA-N 0 3 295.308 3.226 20 30 CGEDHN CC1(C)CCC(O)(CNCc2ccc(C#N)cc2F)CC1 ZINC000087063633 345753341 /nfs/dbraw/zinc/75/33/41/345753341.db2.gz QCXQUHXEAQNJKS-UHFFFAOYSA-N 0 3 290.382 3.118 20 30 CGEDHN C[C@@H]1C[C@H](Nc2cnccc2C#N)CN1Cc1ccccc1 ZINC000091739540 345822493 /nfs/dbraw/zinc/82/24/93/345822493.db2.gz AJLBJNXJPVUQTC-PBHICJAKSA-N 0 3 292.386 3.028 20 30 CGEDHN C=C(C)COc1cc(CN2CC[C@@H](C)C2)ccc1OC ZINC000092471692 345841907 /nfs/dbraw/zinc/84/19/07/345841907.db2.gz LVRIJGFMLLCVEC-CQSZACIVSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329173 345875748 /nfs/dbraw/zinc/87/57/48/345875748.db2.gz YXLCXYFADUKWEC-LBPRGKRZSA-N 0 3 286.297 3.130 20 30 CGEDHN C=CCOc1ccc(CN[C@H](CC)COC)cc1Cl ZINC000120230592 345996955 /nfs/dbraw/zinc/99/69/55/345996955.db2.gz UVCKXRCZPMUDFT-CYBMUJFWSA-N 0 3 283.799 3.419 20 30 CGEDHN N#Cc1cc(CN2CCc3ccccc3CC2)ccc1F ZINC000121134322 346000930 /nfs/dbraw/zinc/00/09/30/346000930.db2.gz KZOLQXZWDUXDEL-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN CN(Cc1ccccc1C#N)C1Cc2ccccc2C1 ZINC000141207267 346107502 /nfs/dbraw/zinc/10/75/02/346107502.db2.gz PZRDLKYDPRVGAW-UHFFFAOYSA-N 0 3 262.356 3.157 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1)Oc1ccccc1F ZINC000174602240 346244611 /nfs/dbraw/zinc/24/46/11/346244611.db2.gz FHNIBISVHLBLFK-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN C=CCCN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000624011883 349946304 /nfs/dbraw/zinc/94/63/04/349946304.db2.gz LFQOJRCIAPNLBN-ZDUSSCGKSA-N 0 3 255.365 3.314 20 30 CGEDHN C=CC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180207658 346254167 /nfs/dbraw/zinc/25/41/67/346254167.db2.gz ZJRXLCKJGVXWMG-UHFFFAOYSA-N 0 3 261.413 3.116 20 30 CGEDHN C=CCCCCCN(CC(N)=O)[C@H](C)c1ccccc1 ZINC000193436489 346269304 /nfs/dbraw/zinc/26/93/04/346269304.db2.gz VATIMXFHPYYKAS-OAHLLOKOSA-N 0 3 274.408 3.281 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCc1ccc(C#N)s1 ZINC000233847474 346330027 /nfs/dbraw/zinc/33/00/27/346330027.db2.gz HOOYRFSSHSRXBS-OLZOCXBDSA-N 0 3 266.435 3.384 20 30 CGEDHN Cc1cc(C)cc(CNCCOc2ccc(C#N)cc2)c1 ZINC000237835093 346346879 /nfs/dbraw/zinc/34/68/79/346346879.db2.gz TWQCTGRVGLPRQK-UHFFFAOYSA-N 0 3 280.371 3.344 20 30 CGEDHN N#CC1(CCCN2CCCc3occc3C2)CCOCC1 ZINC000288653680 346423113 /nfs/dbraw/zinc/42/31/13/346423113.db2.gz BGOUHHCABQUCMT-UHFFFAOYSA-N 0 3 288.391 3.128 20 30 CGEDHN CCC1(C)CN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000297290418 346434797 /nfs/dbraw/zinc/43/47/97/346434797.db2.gz ATRQZCVQUIHIMW-UHFFFAOYSA-N 0 3 271.408 3.268 20 30 CGEDHN COC[C@@H](CC(C)(C)C)NCC1(C#N)CCCC1 ZINC000593653703 347100336 /nfs/dbraw/zinc/10/03/36/347100336.db2.gz IBEXWAPSFXDRMX-CYBMUJFWSA-N 0 3 252.402 3.111 20 30 CGEDHN COC1(C[C@H](C)NCC2(C#N)CCCC2)CCC1 ZINC000593654586 347100815 /nfs/dbraw/zinc/10/08/15/347100815.db2.gz JHVDECXMVQJJGY-ZDUSSCGKSA-N 0 3 250.386 3.008 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000397653003 346584208 /nfs/dbraw/zinc/58/42/08/346584208.db2.gz UMQSTFBVWJZQEJ-OLZOCXBDSA-N 0 3 256.340 3.438 20 30 CGEDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1CCCC#N ZINC000404440398 346599338 /nfs/dbraw/zinc/59/93/38/346599338.db2.gz UHFXKKCNWAFPOJ-BBWFWOEESA-N 0 3 285.435 3.273 20 30 CGEDHN N#CC1(CNC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000405077765 346602484 /nfs/dbraw/zinc/60/24/84/346602484.db2.gz JGIUELCVOXDOSQ-UHFFFAOYSA-N 0 3 297.446 3.325 20 30 CGEDHN CC(C)CN(C(=O)CCCCCC#N)C1CCN(C)CC1 ZINC000588751360 346767303 /nfs/dbraw/zinc/76/73/03/346767303.db2.gz BLPDTONSDYTUCP-UHFFFAOYSA-N 0 3 293.455 3.039 20 30 CGEDHN COc1cccc(CNCC(C)(C)CCC#N)c1F ZINC000588929521 346776381 /nfs/dbraw/zinc/77/63/81/346776381.db2.gz ILRLXQPCAOCXQA-UHFFFAOYSA-N 0 3 264.344 3.254 20 30 CGEDHN CN(Cc1ccnc(C#N)c1)C(C)(C)c1ccccc1 ZINC000585754330 346729632 /nfs/dbraw/zinc/72/96/32/346729632.db2.gz HVGAALBBOPXUCQ-UHFFFAOYSA-N 0 3 265.360 3.320 20 30 CGEDHN CCC(C)(C)N1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000594021254 347138039 /nfs/dbraw/zinc/13/80/39/347138039.db2.gz QHBILVZCHXAFSA-UHFFFAOYSA-N 0 3 285.435 3.059 20 30 CGEDHN N#Cc1ccc(C2(NCc3ccncc3)CCC2)cc1 ZINC000594030934 347140064 /nfs/dbraw/zinc/14/00/64/347140064.db2.gz ARKJNACRKXJEKH-UHFFFAOYSA-N 0 3 263.344 3.122 20 30 CGEDHN C[C@@H](NC[C@H](C#N)CCC#N)C1CCC(F)(F)CC1 ZINC000594043108 347143160 /nfs/dbraw/zinc/14/31/60/347143160.db2.gz GBXQRBCNGRIWEF-NEPJUHHUSA-N 0 3 269.339 3.234 20 30 CGEDHN CC(C)(C)[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594442317 347174561 /nfs/dbraw/zinc/17/45/61/347174561.db2.gz CJZJTPSKXSQRBP-LSDHHAIUSA-N 0 3 293.455 3.072 20 30 CGEDHN Cn1ccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594498669 347179018 /nfs/dbraw/zinc/17/90/18/347179018.db2.gz SOJYHZBMYQHVGU-UHFFFAOYSA-N 0 3 267.376 3.116 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CSC2(C)C)cc1 ZINC000594505860 347181481 /nfs/dbraw/zinc/18/14/81/347181481.db2.gz CNPYBLTUXYGKLX-CQSZACIVSA-N 0 3 274.433 3.471 20 30 CGEDHN C=CCCCCCN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000594510070 347183017 /nfs/dbraw/zinc/18/30/17/347183017.db2.gz OLLMRNMOJFOOIM-LBPRGKRZSA-N 0 3 265.353 3.463 20 30 CGEDHN N#Cc1cnccc1S[C@H]1CCN(Cc2ccccc2)C1 ZINC000594907855 347226544 /nfs/dbraw/zinc/22/65/44/347226544.db2.gz JITKDWMQVDZVHT-INIZCTEOSA-N 0 3 295.411 3.320 20 30 CGEDHN COCc1csc(CNCc2ccc(C#N)cc2)c1 ZINC000594925576 347231528 /nfs/dbraw/zinc/23/15/28/347231528.db2.gz OGSGRHZZCRSUKS-UHFFFAOYSA-N 0 3 272.373 3.056 20 30 CGEDHN C=CCCSCCNCc1ccccc1NC(C)=O ZINC000594960002 347241309 /nfs/dbraw/zinc/24/13/09/347241309.db2.gz HRNWJDHACIQMFE-UHFFFAOYSA-N 0 3 278.421 3.044 20 30 CGEDHN C[C@]1(CCNCc2ccc(C#N)cc2F)CC1(F)F ZINC000594978694 347247571 /nfs/dbraw/zinc/24/75/71/347247571.db2.gz VNIWRTFTHRQRCZ-ZDUSSCGKSA-N 0 3 268.282 3.222 20 30 CGEDHN CN(CCOc1ccccc1F)CCc1ccc(C#N)cc1 ZINC000595290653 347287204 /nfs/dbraw/zinc/28/72/04/347287204.db2.gz YBYDLRQJLAXRFP-UHFFFAOYSA-N 0 3 298.361 3.251 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2cnccc2o1 ZINC000595044716 347268116 /nfs/dbraw/zinc/26/81/16/347268116.db2.gz OGJPHSACTTWEBY-GMXVVIOVSA-N 0 3 255.321 3.171 20 30 CGEDHN CC[C@H](COCC1CC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000595056421 347271824 /nfs/dbraw/zinc/27/18/24/347271824.db2.gz HEWGMSOSGSWIHJ-AEFFLSMTSA-N 0 3 284.403 3.340 20 30 CGEDHN COCc1csc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000595079368 347278935 /nfs/dbraw/zinc/27/89/35/347278935.db2.gz WZCHSBWQDNQVHT-YPMHNXCESA-N 0 3 264.394 3.066 20 30 CGEDHN C[C@@H](NC[C@@]1(C)CC1(F)F)c1ccc(C#N)c(F)c1 ZINC000595081895 347279519 /nfs/dbraw/zinc/27/95/19/347279519.db2.gz UBGYOBJSLVTREQ-NOZJJQNGSA-N 0 3 268.282 3.393 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccc(C#N)c(F)c1 ZINC000595082799 347279553 /nfs/dbraw/zinc/27/95/53/347279553.db2.gz XYUIMPHRJLZWGG-JMSVASOKSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@H](NCCc1ccoc1)c1ccc(C#N)c(F)c1 ZINC000595087691 347279581 /nfs/dbraw/zinc/27/95/81/347279581.db2.gz ODRYITJCTOIBPM-NSHDSACASA-N 0 3 258.296 3.184 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccoc1C(=O)OC ZINC000595602435 347324343 /nfs/dbraw/zinc/32/43/43/347324343.db2.gz IVXJYYMPWFTEAZ-GXTWGEPZSA-N 0 3 277.364 3.291 20 30 CGEDHN Cc1ccc(C)c(OCCN2CCC[C@H](CC#N)C2)c1 ZINC000595610413 347326706 /nfs/dbraw/zinc/32/67/06/347326706.db2.gz YBNJJLISWKXKPS-MRXNPFEDSA-N 0 3 272.392 3.308 20 30 CGEDHN CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595612150 347327200 /nfs/dbraw/zinc/32/72/00/347327200.db2.gz SGLXZBSHTMRONC-AWEZNQCLSA-N 0 3 258.365 3.211 20 30 CGEDHN N#Cc1cc(CN2CCCC3(CCCC3)CC2)ccn1 ZINC000595641301 347331834 /nfs/dbraw/zinc/33/18/34/347331834.db2.gz IGAHMCAPVSAJCX-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN CCC(C)(C)[C@@H](C)NCc1cc(C#N)ccc1OC ZINC000595643712 347332471 /nfs/dbraw/zinc/33/24/71/347332471.db2.gz YZGRROLDUKSMFW-GFCCVEGCSA-N 0 3 260.381 3.481 20 30 CGEDHN C=CC[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000595661352 347335350 /nfs/dbraw/zinc/33/53/50/347335350.db2.gz ZGDJINQPJCOREN-DNVCBOLYSA-N 0 3 277.433 3.082 20 30 CGEDHN N#CCCCN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595672297 347336612 /nfs/dbraw/zinc/33/66/12/347336612.db2.gz YPBXUJNEAKYIPK-MRXNPFEDSA-N 0 3 292.810 3.325 20 30 CGEDHN N#CCC[C@@H](C#N)CN1CC[C@H](C2CCCCC2)C1 ZINC000595733872 347348412 /nfs/dbraw/zinc/34/84/12/347348412.db2.gz KGBWOYZLNSXHDF-HOCLYGCPSA-N 0 3 259.397 3.332 20 30 CGEDHN N#CCC[C@H](C#N)CN1CC[C@@H](C2CCCCC2)C1 ZINC000595733864 347348827 /nfs/dbraw/zinc/34/88/27/347348827.db2.gz KGBWOYZLNSXHDF-GDBMZVCRSA-N 0 3 259.397 3.332 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC[C@@H](CCF)C1 ZINC000595755001 347350313 /nfs/dbraw/zinc/35/03/13/347350313.db2.gz DUFXJBPIKUSTOA-AWEZNQCLSA-N 0 3 276.355 3.009 20 30 CGEDHN Cc1cnc(C(C)(C)NCCc2ccc(C#N)cc2)s1 ZINC000595429956 347302520 /nfs/dbraw/zinc/30/25/20/347302520.db2.gz QGQXYXDUZXTHTC-UHFFFAOYSA-N 0 3 285.416 3.391 20 30 CGEDHN CC(C)[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CCN1C ZINC000595463039 347307960 /nfs/dbraw/zinc/30/79/60/347307960.db2.gz YJPGXAQCOLOZSG-HOTGVXAUSA-N 0 3 291.826 3.177 20 30 CGEDHN N#Cc1ccc(CCN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000595561921 347319636 /nfs/dbraw/zinc/31/96/36/347319636.db2.gz GILCBLZOTIIEJW-IBGZPJMESA-N 0 3 292.382 3.254 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OC)c(C)o1 ZINC000595842833 347366658 /nfs/dbraw/zinc/36/66/58/347366658.db2.gz VOSYPYSIKGGXAM-BETUJISGSA-N 0 3 275.348 3.058 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000595845393 347367185 /nfs/dbraw/zinc/36/71/85/347367185.db2.gz NJLCYLUMHXETRW-RWMBFGLXSA-N 0 3 275.348 3.310 20 30 CGEDHN COCC1(NCc2ccc(C#N)s2)CCCCC1 ZINC000595907602 347370965 /nfs/dbraw/zinc/37/09/65/347370965.db2.gz BQXGROHRUFOIPR-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN C[C@@H]1CSCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597010753 347527870 /nfs/dbraw/zinc/52/78/70/347527870.db2.gz QTTBQJPWZFBVTP-CYBMUJFWSA-N 0 3 272.417 3.179 20 30 CGEDHN CC[C@]1(CO)CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597093119 347535364 /nfs/dbraw/zinc/53/53/64/347535364.db2.gz WCXOEDUASJBRJC-SFHVURJKSA-N 0 3 298.430 3.226 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597113105 347536866 /nfs/dbraw/zinc/53/68/66/347536866.db2.gz PFQOFODZDREBTR-SFHVURJKSA-N 0 3 297.446 3.014 20 30 CGEDHN COCCC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597147549 347540630 /nfs/dbraw/zinc/54/06/30/347540630.db2.gz XPMVLVCELUOPMX-UHFFFAOYSA-N 0 3 284.403 3.100 20 30 CGEDHN COc1cc(CN2CCC[C@H](CCF)C2)ccc1C#N ZINC000597209849 347555105 /nfs/dbraw/zinc/55/51/05/347555105.db2.gz DMYQZBQAILJGBM-CYBMUJFWSA-N 0 3 276.355 3.138 20 30 CGEDHN C=CCCC(C)(C)NCc1ccc(C(=O)OCC)o1 ZINC000597242788 347561599 /nfs/dbraw/zinc/56/15/99/347561599.db2.gz GUUNCVNUXKSHPU-UHFFFAOYSA-N 0 3 265.353 3.291 20 30 CGEDHN C[C@H](NCC[C@H]1CC1(F)F)c1ccc(C#N)cc1F ZINC000598678892 347678051 /nfs/dbraw/zinc/67/80/51/347678051.db2.gz AGADHSHRZCMFJU-ONGXEEELSA-N 0 3 268.282 3.393 20 30 CGEDHN Cc1c(CNC[C@@H](O)CC(C)(C)C#N)oc2ccccc12 ZINC000598718537 347682292 /nfs/dbraw/zinc/68/22/92/347682292.db2.gz GERJZQURGCZHBP-ZDUSSCGKSA-N 0 3 286.375 3.132 20 30 CGEDHN C=CCSCCNCc1ccc(F)c(F)c1N(C)C ZINC000598962721 347701602 /nfs/dbraw/zinc/70/16/02/347701602.db2.gz ICAIHDSAGDGHJH-UHFFFAOYSA-N 0 3 286.391 3.040 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598967586 347701620 /nfs/dbraw/zinc/70/16/20/347701620.db2.gz HSABINHRORRQGE-SNVBAGLBSA-N 0 3 267.394 3.368 20 30 CGEDHN C[C@@H](NCCCCC#N)c1cc(-c2ccccc2)n(C)n1 ZINC000599027773 347707482 /nfs/dbraw/zinc/70/74/82/347707482.db2.gz SGWWVJJDIFSCHU-CQSZACIVSA-N 0 3 282.391 3.432 20 30 CGEDHN C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(C#N)cc1 ZINC000599062314 347712738 /nfs/dbraw/zinc/71/27/38/347712738.db2.gz VFAWMYMHNHOSQM-KUHUBIRLSA-N 0 3 292.382 3.350 20 30 CGEDHN CC[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccc(C#N)cc1 ZINC000599086070 347715737 /nfs/dbraw/zinc/71/57/37/347715737.db2.gz YGBLRYZTEAQGMV-IKGGRYGDSA-N 0 3 270.376 3.166 20 30 CGEDHN C[C@H]1c2ccc(F)cc2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598593595 347668525 /nfs/dbraw/zinc/66/85/25/347668525.db2.gz VBABEWXFQHMPDE-WFASDCNBSA-N 0 3 290.382 3.046 20 30 CGEDHN CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1cc(F)ccc1F ZINC000598603665 347670501 /nfs/dbraw/zinc/67/05/01/347670501.db2.gz YIGOIMPKNKECAU-DOMZBBRYSA-N 0 3 296.361 3.306 20 30 CGEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000598613372 347671326 /nfs/dbraw/zinc/67/13/26/347671326.db2.gz WHFFWMUQJZIPNJ-GXTWGEPZSA-N 0 3 286.375 3.384 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](OCC)C1CC1 ZINC000599280606 347731927 /nfs/dbraw/zinc/73/19/27/347731927.db2.gz AAGVSXYTVMUZEX-GOSISDBHSA-N 0 3 284.403 3.361 20 30 CGEDHN Cc1ccc(CN2CC[C@H](c3ccncc3)C2)cc1C#N ZINC000599430468 347744020 /nfs/dbraw/zinc/74/40/20/347744020.db2.gz SNMHYCIVTNAJKR-KRWDZBQOSA-N 0 3 277.371 3.251 20 30 CGEDHN COCCC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599506541 347748284 /nfs/dbraw/zinc/74/82/84/347748284.db2.gz LPKOZTSQIBCBFG-UHFFFAOYSA-N 0 3 272.392 3.115 20 30 CGEDHN C=C(CC)CN1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599587573 347756257 /nfs/dbraw/zinc/75/62/57/347756257.db2.gz FSMGCQUPVBGEDG-UONOGXRCSA-N 0 3 267.413 3.252 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592385 347757015 /nfs/dbraw/zinc/75/70/15/347757015.db2.gz YMBBOEJTBASLKJ-QLFBSQMISA-N 0 3 279.424 3.088 20 30 CGEDHN N#Cc1ccc(C2(NCC3=CCCC3)CCOCC2)cc1 ZINC000599629836 347760237 /nfs/dbraw/zinc/76/02/37/347760237.db2.gz IILVZHIAZVYLRQ-UHFFFAOYSA-N 0 3 282.387 3.264 20 30 CGEDHN CC(C)(C#N)CNCC1(O)CCC(c2ccccc2)CC1 ZINC000600735086 347830829 /nfs/dbraw/zinc/83/08/29/347830829.db2.gz MHJFNCKWOMZEJM-UHFFFAOYSA-N 0 3 286.419 3.215 20 30 CGEDHN Cc1c(C#N)cncc1-c1cc(CN(C)C)ccc1F ZINC000600945688 347848867 /nfs/dbraw/zinc/84/88/67/347848867.db2.gz IOQIZMZSMIRPBI-UHFFFAOYSA-N 0 3 269.323 3.129 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)c(F)c1 ZINC000601155575 347875678 /nfs/dbraw/zinc/87/56/78/347875678.db2.gz AQWDKIHNGXPTHH-IRXDYDNUSA-N 0 3 288.366 3.135 20 30 CGEDHN N#CCCCOc1cccc(CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000601159015 347876233 /nfs/dbraw/zinc/87/62/33/347876233.db2.gz BPCZANWFXUFZJI-ZIAGYGMSSA-N 0 3 298.308 3.410 20 30 CGEDHN C[C@H](NCc1cccc2c1CCOC2)c1cccc(C#N)c1 ZINC000601304312 347890591 /nfs/dbraw/zinc/89/05/91/347890591.db2.gz NJHIJKOSBSOXLJ-AWEZNQCLSA-N 0 3 292.382 3.482 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602024490 347933837 /nfs/dbraw/zinc/93/38/37/347933837.db2.gz NVFDHROFQJQKPI-GUYCJALGSA-N 0 3 290.382 3.238 20 30 CGEDHN CN(CCCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602438673 347958216 /nfs/dbraw/zinc/95/82/16/347958216.db2.gz HDXHVQBBLQPRHI-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN CCC(CC)CN(CCC#N)CCC[C@@H]1CCO1 ZINC000602466003 347963178 /nfs/dbraw/zinc/96/31/78/347963178.db2.gz SQBONQZHQLOSHW-OAHLLOKOSA-N 0 3 252.402 3.207 20 30 CGEDHN CC(C)C[C@@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602474094 347965110 /nfs/dbraw/zinc/96/51/10/347965110.db2.gz GPYYTLDUQKYIAC-INIZCTEOSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@@H](CCC#N)CN1CCOC2(C1)CCCCCC2 ZINC000602480112 347965762 /nfs/dbraw/zinc/96/57/62/347965762.db2.gz SWMWOLJMTQUGKZ-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN CCC[C@H](C)[C@@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602486976 347967957 /nfs/dbraw/zinc/96/79/57/347967957.db2.gz XQBRIFISKLQUQF-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H](CCC#N)CNCc1cccnc1OC1CCCC1 ZINC000602508272 347971973 /nfs/dbraw/zinc/97/19/73/347971973.db2.gz AKPHYKUMNMGULG-CQSZACIVSA-N 0 3 287.407 3.432 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2CCCc3ccccc32)n1 ZINC000602510359 347972769 /nfs/dbraw/zinc/97/27/69/347972769.db2.gz HNGCHDGOWPIFHT-HNNXBMFYSA-N 0 3 277.371 3.163 20 30 CGEDHN CCC(CC)[C@H]1C[C@H](NCc2cccc(C#N)n2)CCO1 ZINC000602586933 347989760 /nfs/dbraw/zinc/98/97/60/347989760.db2.gz BILOZFVNQLCAJW-RHSMWYFYSA-N 0 3 287.407 3.027 20 30 CGEDHN CC(C)[C@H](NC1CCC(C#N)CC1)c1nc(C2CC2)no1 ZINC000602592321 347990429 /nfs/dbraw/zinc/99/04/29/347990429.db2.gz CUFAQGBGUPQXBP-UBHUBRDASA-N 0 3 288.395 3.316 20 30 CGEDHN C[C@@H](CCC#N)CN1CCO[C@H](C2CCCCC2)C1 ZINC000602613806 347994633 /nfs/dbraw/zinc/99/46/33/347994633.db2.gz QDASERNQJOYSQW-HOCLYGCPSA-N 0 3 264.413 3.207 20 30 CGEDHN CO[C@@H](CN[C@H]1CCc2cc(C#N)ccc21)CC(C)C ZINC000602640302 347999277 /nfs/dbraw/zinc/99/92/77/347999277.db2.gz MQSMDXNYZYZUJK-WBVHZDCISA-N 0 3 272.392 3.196 20 30 CGEDHN N#CC1(CNC[C@@H]2CCc3ccccc3C2)CCC1 ZINC000602695601 348011110 /nfs/dbraw/zinc/01/11/10/348011110.db2.gz BCMFUZGDXMKYKK-CQSZACIVSA-N 0 3 254.377 3.075 20 30 CGEDHN COc1cccc(C)c1CN1CCC[C@@H](CC#N)C1 ZINC000602705816 348013722 /nfs/dbraw/zinc/01/37/22/348013722.db2.gz MJWFOSDJRLRBBG-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN N#CCC1(CN(CCc2ccccc2)[C@H]2CCOC2)CC1 ZINC000602789476 348029411 /nfs/dbraw/zinc/02/94/11/348029411.db2.gz VQVNDWPFKRPACT-KRWDZBQOSA-N 0 3 284.403 3.014 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)n1 ZINC000602720502 348017155 /nfs/dbraw/zinc/01/71/55/348017155.db2.gz IUPPUOCAGYUYCN-IXDOHACOSA-N 0 3 295.773 3.035 20 30 CGEDHN N#CCC1(CN2CCS[C@@H]3CCCC[C@@H]32)CC1 ZINC000602786252 348029731 /nfs/dbraw/zinc/02/97/31/348029731.db2.gz FEBGQQWXSYNCLV-QWHCGFSZSA-N 0 3 250.411 3.040 20 30 CGEDHN N#CCC1(CN2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000602768534 348025748 /nfs/dbraw/zinc/02/57/48/348025748.db2.gz WRDMFZDKSOSKHH-UHFFFAOYSA-N 0 3 268.360 3.175 20 30 CGEDHN CC(C)[C@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602543372 347978852 /nfs/dbraw/zinc/97/88/52/347978852.db2.gz CGJRHJVWLLHVOR-KBPBESRZSA-N 0 3 257.381 3.258 20 30 CGEDHN N#CCC1(CN(CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC000602780471 348027243 /nfs/dbraw/zinc/02/72/43/348027243.db2.gz UYCFOGKNPAHWJB-QGZVFWFLSA-N 0 3 284.403 3.052 20 30 CGEDHN COc1cccc(F)c1[C@H](C)NC[C@H](C)CCC#N ZINC000602560479 347982018 /nfs/dbraw/zinc/98/20/18/347982018.db2.gz XNGPFBHYRZFPOQ-NEPJUHHUSA-N 0 3 264.344 3.425 20 30 CGEDHN N#CCC1(CN2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000602795293 348030728 /nfs/dbraw/zinc/03/07/28/348030728.db2.gz LEUKCCDMHWVIIM-INIZCTEOSA-N 0 3 269.392 3.257 20 30 CGEDHN N#CCC1(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000602831953 348034899 /nfs/dbraw/zinc/03/48/99/348034899.db2.gz MGTYXKGBDFWYCG-OAHLLOKOSA-N 0 3 290.794 3.487 20 30 CGEDHN N#Cc1ccc(C2CCN(CC3=CCCC3)CC2)nc1 ZINC000602907768 348042615 /nfs/dbraw/zinc/04/26/15/348042615.db2.gz VTKAVLDSMZASPA-UHFFFAOYSA-N 0 3 267.376 3.243 20 30 CGEDHN N#Cc1ccc(C2CCN([C@@H]3C=CCCC3)CC2)nc1 ZINC000602909762 348043743 /nfs/dbraw/zinc/04/37/43/348043743.db2.gz NYAXGEAOHVTULJ-MRXNPFEDSA-N 0 3 267.376 3.241 20 30 CGEDHN CC(C)(C#N)CCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602927218 348046161 /nfs/dbraw/zinc/04/61/61/348046161.db2.gz YKFLKBDTRKJJKU-CQSZACIVSA-N 0 3 298.789 3.432 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN[C@H]1CCCn2nccc21 ZINC000603028203 348054728 /nfs/dbraw/zinc/05/47/28/348054728.db2.gz RNVABACIFBLKRE-INIZCTEOSA-N 0 3 294.402 3.309 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1[C@H](C)CC ZINC000606434329 348182417 /nfs/dbraw/zinc/18/24/17/348182417.db2.gz UTTCQNAJRJNJKE-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C[C@H](NCc1n[nH]c2ccccc21)c1cccc(C#N)c1 ZINC000610345243 348376504 /nfs/dbraw/zinc/37/65/04/348376504.db2.gz YUVVLVNCTZZXBN-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN C[C@H](NCc1[nH]nc2ccccc21)c1cccc(C#N)c1 ZINC000610345243 348376509 /nfs/dbraw/zinc/37/65/09/348376509.db2.gz YUVVLVNCTZZXBN-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN N#Cc1csc(CNC[C@@H]2OCCc3ccccc32)c1 ZINC000610488795 348384691 /nfs/dbraw/zinc/38/46/91/348384691.db2.gz XTTAUPWQTQHDPZ-INIZCTEOSA-N 0 3 284.384 3.023 20 30 CGEDHN Cc1ccccc1C1(CNC(=O)C(C)C#N)CCCCC1 ZINC000609920985 348357704 /nfs/dbraw/zinc/35/77/04/348357704.db2.gz XTYOPSNNINZNBW-OAHLLOKOSA-N 0 3 284.403 3.473 20 30 CGEDHN CC(C)(C)C[C@@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610992200 348414819 /nfs/dbraw/zinc/41/48/19/348414819.db2.gz KXKZKIXCYPXBDE-HNNXBMFYSA-N 0 3 257.381 3.354 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H](Cc3ccccc3)C2)ccn1 ZINC000610992932 348415465 /nfs/dbraw/zinc/41/54/65/348415465.db2.gz ULYKXRCSXQEYBO-QGZVFWFLSA-N 0 3 291.398 3.408 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](Cc3ccc(F)cc3)C2)ccn1 ZINC000610993587 348416851 /nfs/dbraw/zinc/41/68/51/348416851.db2.gz YOYSYAPVOJTUKZ-MRXNPFEDSA-N 0 3 295.361 3.157 20 30 CGEDHN C=CCC[C@@H](C)NCc1cc(Br)cnc1OC ZINC000624133634 349986574 /nfs/dbraw/zinc/98/65/74/349986574.db2.gz RYKDHAIBPIGESF-SNVBAGLBSA-N 0 3 299.212 3.297 20 30 CGEDHN CCN1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000611084592 348421562 /nfs/dbraw/zinc/42/15/62/348421562.db2.gz FXWKMOXACLSNAO-NSHDSACASA-N 0 3 297.324 3.107 20 30 CGEDHN C[C@H](NCC[S@@](=O)c1ccccc1)c1cccc(C#N)c1 ZINC000611388618 348443568 /nfs/dbraw/zinc/44/35/68/348443568.db2.gz QASUQXQZRQDQFA-LHSJRXKWSA-N 0 3 298.411 3.017 20 30 CGEDHN C[C@H](NCC1(CO)CCCCC1)c1ccc(C#N)c(F)c1 ZINC000611465948 348453965 /nfs/dbraw/zinc/45/39/65/348453965.db2.gz USAVDYAKNQPZNC-ZDUSSCGKSA-N 0 3 290.382 3.291 20 30 CGEDHN CC[C@H](C)CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553336 348460557 /nfs/dbraw/zinc/46/05/57/348460557.db2.gz WYOQPQBKXCGTAE-WMLDXEAASA-N 0 3 289.398 3.054 20 30 CGEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCCCO1 ZINC000614160556 348653591 /nfs/dbraw/zinc/65/35/91/348653591.db2.gz CDSGYMMKJBVRKS-QGZVFWFLSA-N 0 3 286.419 3.489 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614178485 348656202 /nfs/dbraw/zinc/65/62/02/348656202.db2.gz FQICNVNCRUTTJE-HZPDHXFCSA-N 0 3 299.462 3.402 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCOCC2(CCCC2)C1 ZINC000614406757 348674720 /nfs/dbraw/zinc/67/47/20/348674720.db2.gz PCPHGRWSHCEAMJ-UHFFFAOYSA-N 0 3 284.403 3.259 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358576510 233158570 /nfs/dbraw/zinc/15/85/70/233158570.db2.gz UFWATHWOKBUUFZ-IAQYHMDHSA-N 0 3 264.344 3.019 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618568102 349107397 /nfs/dbraw/zinc/10/73/97/349107397.db2.gz NDPJYXASVSETIO-LOWVWBTDSA-N 0 3 284.363 3.001 20 30 CGEDHN Cc1cc(CN(Cc2ccccc2)C[C@H](C)O)ccc1C#N ZINC000618593599 349116125 /nfs/dbraw/zinc/11/61/25/349116125.db2.gz QLEILWRWUZJFKD-INIZCTEOSA-N 0 3 294.398 3.250 20 30 CGEDHN Cc1cc(CN2CCC([C@H]3CCOC3)CC2)ccc1C#N ZINC000618606469 349120734 /nfs/dbraw/zinc/12/07/34/349120734.db2.gz JSRHXHUCGGTZNU-SFHVURJKSA-N 0 3 284.403 3.115 20 30 CGEDHN C=CCC1(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC000619104472 349203437 /nfs/dbraw/zinc/20/34/37/349203437.db2.gz MRTCFDXBFAJNHD-KKUMJFAQSA-N 0 3 278.440 3.253 20 30 CGEDHN CCOc1cccc([C@H](C)NCC2(CC#N)CC2)c1 ZINC000619535256 349257879 /nfs/dbraw/zinc/25/78/79/349257879.db2.gz PWOSRQVGGAFWRA-ZDUSSCGKSA-N 0 3 258.365 3.430 20 30 CGEDHN C=CCN(C[C@H](OC)c1ccc(F)cc1)[C@@H](C)COC ZINC000625530134 350181074 /nfs/dbraw/zinc/18/10/74/350181074.db2.gz IXBQUWDODBVLFY-BBRMVZONSA-N 0 3 281.371 3.036 20 30 CGEDHN C=CC(C)(C)CCNC(=O)Nc1cccc(CNC)c1 ZINC000625895748 350224516 /nfs/dbraw/zinc/22/45/16/350224516.db2.gz BTVJPFFSFSMBSA-UHFFFAOYSA-N 0 3 275.396 3.130 20 30 CGEDHN Cc1cccc(C)c1[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000359703518 233361335 /nfs/dbraw/zinc/36/13/35/233361335.db2.gz BIGYMPNQYTWBKT-AWEZNQCLSA-N 0 3 267.376 3.364 20 30 CGEDHN Cn1cc(CNC[C@H]2SCCc3ccccc32)cc1C#N ZINC000359746081 233371137 /nfs/dbraw/zinc/37/11/37/233371137.db2.gz HEBSRRITFJGVQI-QGZVFWFLSA-N 0 3 297.427 3.017 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@]1(C)CCCS1 ZINC000628272755 350473610 /nfs/dbraw/zinc/47/36/10/350473610.db2.gz XRVYXLZSPQSBQJ-INIZCTEOSA-N 0 3 295.448 3.436 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000630840176 350897070 /nfs/dbraw/zinc/89/70/70/350897070.db2.gz YQACEDWJBFBNSF-INIZCTEOSA-N 0 3 286.419 3.070 20 30 CGEDHN COc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1C#N ZINC000291451189 198025911 /nfs/dbraw/zinc/02/59/11/198025911.db2.gz CKZIYCFSSDJQMW-KRWDZBQOSA-N 0 3 282.387 3.331 20 30 CGEDHN COc1cccc([C@H](C)NCCOc2ccccc2C#N)c1 ZINC000271620799 191243738 /nfs/dbraw/zinc/24/37/38/191243738.db2.gz DBLROCVAIZCXIU-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN Cc1cccc([C@@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000271825654 191350297 /nfs/dbraw/zinc/35/02/97/191350297.db2.gz DBJBZTPCGIGWAY-KDOFPFPSSA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000271886231 191389379 /nfs/dbraw/zinc/38/93/79/191389379.db2.gz QQSMSLMSDHUSAJ-ZJNRKIDTSA-N 0 3 298.361 3.470 20 30 CGEDHN N#Cc1ccccc1N1CCCN([C@@H]2C=CCCC2)CC1 ZINC000246227959 283215578 /nfs/dbraw/zinc/21/55/78/283215578.db2.gz GCECQAROLWSNAQ-QGZVFWFLSA-N 0 3 281.403 3.179 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC000129959419 138398550 /nfs/dbraw/zinc/39/85/50/138398550.db2.gz TXBPGNBFPVOBHU-KGLIPLIRSA-N 0 3 278.421 3.255 20 30 CGEDHN C[C@H]1CCCC[C@H]1OCCNCc1ccc(C#N)s1 ZINC000176951903 189016423 /nfs/dbraw/zinc/01/64/23/189016423.db2.gz GWNYDOXQQKGOBL-SWLSCSKDSA-N 0 3 278.421 3.305 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000177908445 189078422 /nfs/dbraw/zinc/07/84/22/189078422.db2.gz HDVRKCHKESUTEC-NSHDSACASA-N 0 3 298.352 3.405 20 30 CGEDHN N#Cc1ccc(CN[C@@H](CCO)C2CCCCC2)c(F)c1 ZINC000179340514 189187196 /nfs/dbraw/zinc/18/71/96/189187196.db2.gz SHFKYRBARUMVAZ-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN C=C(C)CN(CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179874080 189225032 /nfs/dbraw/zinc/22/50/32/189225032.db2.gz QFAUTQGYOPXFIM-UHFFFAOYSA-N 0 3 294.402 3.357 20 30 CGEDHN CN(C)[C@H](CNc1ccc(F)cc1C#N)c1ccccc1 ZINC000301365046 200986490 /nfs/dbraw/zinc/98/64/90/200986490.db2.gz PTZKRIJEGJTOJG-QGZVFWFLSA-N 0 3 283.350 3.412 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)cc1F ZINC000119396331 370672314 /nfs/dbraw/zinc/67/23/14/370672314.db2.gz FGNBDNIWWIJSTD-CYBMUJFWSA-N 0 3 298.361 3.466 20 30 CGEDHN CC(C)(C#N)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000119912176 370721324 /nfs/dbraw/zinc/72/13/24/370721324.db2.gz CDICGPYEDAUQSM-UHFFFAOYSA-N 0 3 297.402 3.341 20 30 CGEDHN C=CCCC[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000120233516 370751860 /nfs/dbraw/zinc/75/18/60/370751860.db2.gz XWUJSZHDYBPGMF-CABCVRRESA-N 0 3 295.448 3.183 20 30 CGEDHN CCCO[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000120469377 370769953 /nfs/dbraw/zinc/76/99/53/370769953.db2.gz LPJWQCOPYILAOU-INIZCTEOSA-N 0 3 290.382 3.478 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000451501528 240314352 /nfs/dbraw/zinc/31/43/52/240314352.db2.gz PEAUPBPMZCIPND-JKSUJKDBSA-N 0 3 290.382 3.379 20 30 CGEDHN CO[C@@H]([C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000453348336 240864579 /nfs/dbraw/zinc/86/45/79/240864579.db2.gz GCFKBATXAFXYMK-USBNGQNGSA-N 0 3 276.355 3.161 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@@H](C)C1(C)CC1 ZINC000121183484 370837317 /nfs/dbraw/zinc/83/73/17/370837317.db2.gz IDTVRYGJIUCZSE-LBPRGKRZSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H]1[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCCN1C ZINC000463497210 242398909 /nfs/dbraw/zinc/39/89/09/242398909.db2.gz TWLPLFOIMCTXAP-YGRLFVJLSA-N 0 3 297.324 3.472 20 30 CGEDHN C=CCN(C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000121579292 370875587 /nfs/dbraw/zinc/87/55/87/370875587.db2.gz MONDRSJFGZCGGK-UHFFFAOYSA-N 0 3 289.354 3.235 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCCOCc1ccccc1)CC2 ZINC000353274367 220002861 /nfs/dbraw/zinc/00/28/61/220002861.db2.gz OWUDEYIQJKLQJK-LJQANCHMSA-N 0 3 292.382 3.352 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)COc1cccc2ccccc21 ZINC000005382744 368561300 /nfs/dbraw/zinc/56/13/00/368561300.db2.gz XAQVEJZCYGAFCF-KRWDZBQOSA-N 0 3 297.398 3.254 20 30 CGEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1CCCCCC1 ZINC000014705101 368683700 /nfs/dbraw/zinc/68/37/00/368683700.db2.gz QDEDOPSDGOECFY-UHFFFAOYSA-N 0 3 285.391 3.151 20 30 CGEDHN C=C(C)COCCNCc1ccc(Cl)c(F)c1 ZINC000125796362 370941127 /nfs/dbraw/zinc/94/11/27/370941127.db2.gz NRNXCSOFVAPWQS-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN N#Cc1cccc(CNCCSc2ccccc2)c1 ZINC000037855487 369119157 /nfs/dbraw/zinc/11/91/57/369119157.db2.gz YMAWAHIIYDDYGN-UHFFFAOYSA-N 0 3 268.385 3.440 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000044814700 369270670 /nfs/dbraw/zinc/27/06/70/369270670.db2.gz CDZIQRFWMVHWAL-OAHLLOKOSA-N 0 3 278.355 3.375 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1occc1C)C(C)C ZINC000046049140 369288799 /nfs/dbraw/zinc/28/87/99/369288799.db2.gz BOWSUDDMZFFDSR-HNNXBMFYSA-N 0 3 290.407 3.016 20 30 CGEDHN CCC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000048596230 369360505 /nfs/dbraw/zinc/36/05/05/369360505.db2.gz PPFNNJJPKFYBQW-UHFFFAOYSA-N 0 3 291.420 3.070 20 30 CGEDHN C=CCCN(C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000276452100 193336241 /nfs/dbraw/zinc/33/62/41/193336241.db2.gz PPHGGZRBKULDEG-UHFFFAOYSA-N 0 3 291.782 3.440 20 30 CGEDHN C=CCN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831461 369749286 /nfs/dbraw/zinc/74/92/86/369749286.db2.gz SBFBUOLCPDWYQZ-UHFFFAOYSA-N 0 3 274.191 3.364 20 30 CGEDHN CCCCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000073601585 369860687 /nfs/dbraw/zinc/86/06/87/369860687.db2.gz HWNWRYNFPYBTOG-CKDBGZEDSA-N 0 3 293.455 3.038 20 30 CGEDHN C=C(C)CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000091869571 370076030 /nfs/dbraw/zinc/07/60/30/370076030.db2.gz PGYCGOVSGDIDCD-UHFFFAOYSA-N 0 3 263.356 3.383 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](COC)C2)cc1 ZINC000093337363 370118513 /nfs/dbraw/zinc/11/85/13/370118513.db2.gz MULSXNOBKBCVNK-INIZCTEOSA-N 0 3 275.392 3.110 20 30 CGEDHN C=CC1CCN(Cc2ccccc2OCCOC)CC1 ZINC000093359288 370119005 /nfs/dbraw/zinc/11/90/05/370119005.db2.gz MEWOEAQFZFJNKG-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN C#CCN(Cc1ccccc1NC(C)=O)C1CCCC1 ZINC000093819832 370161651 /nfs/dbraw/zinc/16/16/51/370161651.db2.gz ZPSJMDQIQPGFMY-UHFFFAOYSA-N 0 3 270.376 3.023 20 30 CGEDHN C=CCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401340 370304183 /nfs/dbraw/zinc/30/41/83/370304183.db2.gz PHBHFKOUQOHSMV-CYBMUJFWSA-N 0 3 287.338 3.241 20 30 CGEDHN C=CC[C@H](C)N[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000116907756 370573251 /nfs/dbraw/zinc/57/32/51/370573251.db2.gz RFJHGESFSPNPAG-DOTOQJQBSA-N 0 3 286.419 3.294 20 30 CGEDHN CCOC[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118399945 370613968 /nfs/dbraw/zinc/61/39/68/370613968.db2.gz FYGOQUOYCMPRCM-HOCLYGCPSA-N 0 3 272.392 3.368 20 30 CGEDHN C=CCC[C@H](C)Nc1cccc(OCCN(C)C)c1 ZINC000130641320 371049233 /nfs/dbraw/zinc/04/92/33/371049233.db2.gz WLLXYTGQUMELHC-AWEZNQCLSA-N 0 3 262.397 3.394 20 30 CGEDHN COc1ccc(C#N)cc1CN1[C@@H](C)CCC[C@@H]1C ZINC000130392424 371029856 /nfs/dbraw/zinc/02/98/56/371029856.db2.gz GCCDMJBVRKOHMF-STQMWFEESA-N 0 3 258.365 3.330 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCCC[C@@H]1C ZINC000130471410 371036890 /nfs/dbraw/zinc/03/68/90/371036890.db2.gz FSIAFFZNFWMHDU-ZDUSSCGKSA-N 0 3 258.365 3.331 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)CCc1cccs1 ZINC000130485404 371038136 /nfs/dbraw/zinc/03/81/36/371038136.db2.gz GOSXHZYOFYYOLW-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000289533951 371758572 /nfs/dbraw/zinc/75/85/72/371758572.db2.gz FIDCZCZHBAIARH-CQSZACIVSA-N 0 3 267.294 3.442 20 30 CGEDHN C#C[C@H](NCc1c(C2CC2)nc2sccn12)C(C)C ZINC000289670184 371788655 /nfs/dbraw/zinc/78/86/55/371788655.db2.gz ZACONIUBTHWMBR-LBPRGKRZSA-N 0 3 273.405 3.021 20 30 CGEDHN Cc1cnn([C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000289739472 371805619 /nfs/dbraw/zinc/80/56/19/371805619.db2.gz DWCVANYPGYHNFP-WMLDXEAASA-N 0 3 280.375 3.071 20 30 CGEDHN C=CCCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000154493163 371850290 /nfs/dbraw/zinc/85/02/90/371850290.db2.gz KUMRVUFYNFUPTN-UHFFFAOYSA-N 0 3 278.371 3.441 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cc2F)C[C@H]1OC ZINC000344116241 217057093 /nfs/dbraw/zinc/05/70/93/217057093.db2.gz NJESKROTPBUWQY-HZPDHXFCSA-N 0 3 290.382 3.381 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C)cc2)n1 ZINC000155403350 371926590 /nfs/dbraw/zinc/92/65/90/371926590.db2.gz CYWWRSHALUZQMQ-GFCCVEGCSA-N 0 3 271.345 3.006 20 30 CGEDHN C=C(C)COCCNCc1c(C)oc2ccccc21 ZINC000156110152 371962122 /nfs/dbraw/zinc/96/21/22/371962122.db2.gz HDENNZZFBSXTLF-UHFFFAOYSA-N 0 3 259.349 3.424 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H](C3CC3)C2)c1 ZINC000344127798 217063371 /nfs/dbraw/zinc/06/33/71/217063371.db2.gz WOVXMVSZJNWBQA-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000157503419 372024484 /nfs/dbraw/zinc/02/44/84/372024484.db2.gz PZUPLHFWYVMREV-OAHLLOKOSA-N 0 3 299.418 3.277 20 30 CGEDHN C[C@@H](CCn1cccn1)N[C@H](CCC#N)c1ccccc1 ZINC000159134593 372108363 /nfs/dbraw/zinc/10/83/63/372108363.db2.gz SWNRGPXBIIKDRV-DOTOQJQBSA-N 0 3 282.391 3.296 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(N(C)CC)nc1 ZINC000426570442 372164759 /nfs/dbraw/zinc/16/47/59/372164759.db2.gz LEZDKMMJUNWEGZ-OAHLLOKOSA-N 0 3 259.397 3.078 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1cccc(OCCOC)c1 ZINC000426570847 372164790 /nfs/dbraw/zinc/16/47/90/372164790.db2.gz PIOVEXPPQHXCAI-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCC[C@@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427973427 372176715 /nfs/dbraw/zinc/17/67/15/372176715.db2.gz QOULFZDWAJRXIE-CYBMUJFWSA-N 0 3 258.365 3.102 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)COC2)c1cccc(C#N)c1 ZINC000344317861 217147311 /nfs/dbraw/zinc/14/73/11/217147311.db2.gz FJQXPJLMSDDRPH-ZDUSSCGKSA-N 0 3 278.355 3.439 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1ccc(F)cc1 ZINC000429702201 372377040 /nfs/dbraw/zinc/37/70/40/372377040.db2.gz MZRMITYMBSBGDX-CQSZACIVSA-N 0 3 264.388 3.326 20 30 CGEDHN CC(C)C[C@H](NCC1(CC#N)CC1)c1ccccn1 ZINC000430724848 372392551 /nfs/dbraw/zinc/39/25/51/372392551.db2.gz PAXVBTXXBAPXBE-HNNXBMFYSA-N 0 3 257.381 3.452 20 30 CGEDHN COc1ccc(C)cc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430739098 372394500 /nfs/dbraw/zinc/39/45/00/372394500.db2.gz GMFVVSSLIAWTGL-CYBMUJFWSA-N 0 3 258.365 3.348 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)Cc1ccccc1 ZINC000293488492 372394535 /nfs/dbraw/zinc/39/45/35/372394535.db2.gz YVNHUFKCROSDRU-BEFAXECRSA-N 0 3 294.398 3.155 20 30 CGEDHN C=CCOCCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000293501066 372395613 /nfs/dbraw/zinc/39/56/13/372395613.db2.gz NQJSOSMMZZWHGF-NSHDSACASA-N 0 3 255.308 3.160 20 30 CGEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCOC1 ZINC000162909022 372432663 /nfs/dbraw/zinc/43/26/63/372432663.db2.gz FQJSPQURRCSTSF-ZDUSSCGKSA-N 0 3 278.783 3.070 20 30 CGEDHN N#Cc1ccc(OCCNCc2cc(F)cc(F)c2)cc1 ZINC000162927538 372434823 /nfs/dbraw/zinc/43/48/23/372434823.db2.gz RYNWSZAPHJHMGP-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN C=CCC(C)(C)CN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293708374 372457250 /nfs/dbraw/zinc/45/72/50/372457250.db2.gz MPUDBDBRIQKEOH-AWEZNQCLSA-N 0 3 288.370 3.225 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000432093879 372535723 /nfs/dbraw/zinc/53/57/23/372535723.db2.gz SEBXHTILKFPKKW-GASCZTMLSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NCC(C)(C)N1CCCCC1 ZINC000432106365 372536898 /nfs/dbraw/zinc/53/68/98/372536898.db2.gz HVIADXMSVHQZGX-UHFFFAOYSA-N 0 3 295.471 3.152 20 30 CGEDHN C[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332706750 204912997 /nfs/dbraw/zinc/91/29/97/204912997.db2.gz YAFSATDRMFCURW-IUODEOHRSA-N 0 3 296.374 3.277 20 30 CGEDHN CCC(CC)CN(CCC#N)CCC1CCOCC1 ZINC000432836577 372573636 /nfs/dbraw/zinc/57/36/36/372573636.db2.gz VGDDELYROJGAOV-UHFFFAOYSA-N 0 3 266.429 3.455 20 30 CGEDHN CCCN(CC1CC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433114789 372581972 /nfs/dbraw/zinc/58/19/72/372581972.db2.gz OBYUFUMKVAVWGP-QGZVFWFLSA-N 0 3 284.403 3.408 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(F)c1 ZINC000433219188 372584191 /nfs/dbraw/zinc/58/41/91/372584191.db2.gz HAKBESVWWKSRMU-MRXNPFEDSA-N 0 3 296.345 3.214 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433307508 372588745 /nfs/dbraw/zinc/58/87/45/372588745.db2.gz VPSSLFGXABPSTN-GOEBONIOSA-N 0 3 279.811 3.456 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000294604381 372662705 /nfs/dbraw/zinc/66/27/05/372662705.db2.gz VHGWIRGEDFOVFK-CQSZACIVSA-N 0 3 294.464 3.459 20 30 CGEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000171121745 372715174 /nfs/dbraw/zinc/71/51/74/372715174.db2.gz SOKUBVRAZYQGAB-RDJZCZTQSA-N 0 3 297.402 3.151 20 30 CGEDHN COc1ccc(C)cc1CNCCOc1ccc(C#N)cc1 ZINC000344594869 217242467 /nfs/dbraw/zinc/24/24/67/217242467.db2.gz SFUWYTVMDKTAJW-UHFFFAOYSA-N 0 3 296.370 3.044 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccsc1Cl ZINC000435738873 372799773 /nfs/dbraw/zinc/79/97/73/372799773.db2.gz DCVJFHPCMBTLJG-CMPLNLGQSA-N 0 3 271.813 3.472 20 30 CGEDHN CC1(C)CCC[C@](O)(CNCc2ccc(C#N)cc2F)C1 ZINC000438332095 372927766 /nfs/dbraw/zinc/92/77/66/372927766.db2.gz QCXICCDOZDPBCS-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC1CCN(CC=C)CC1 ZINC000172390348 372953398 /nfs/dbraw/zinc/95/33/98/372953398.db2.gz CGMTVWSPGTZSDF-UHFFFAOYSA-N 0 3 293.455 3.025 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1nc2ccccc2s1 ZINC000439003939 372972688 /nfs/dbraw/zinc/97/26/88/372972688.db2.gz OPHJHCQRCZMZIH-UHFFFAOYSA-N 0 3 289.448 3.236 20 30 CGEDHN C=CCN(CCc1ccccc1)CC1(CC(=O)OC)CC1 ZINC000440711771 372993675 /nfs/dbraw/zinc/99/36/75/372993675.db2.gz JZAFKONEFGRVET-UHFFFAOYSA-N 0 3 287.403 3.060 20 30 CGEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440948408 372995731 /nfs/dbraw/zinc/99/57/31/372995731.db2.gz MHUJYFSDKHPOHP-IAGOWNOFSA-N 0 3 284.403 3.285 20 30 CGEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1cccc(Cl)c1 ZINC000443334771 373151114 /nfs/dbraw/zinc/15/11/14/373151114.db2.gz NBELWFRBWQONHR-KEYYUXOJSA-N 0 3 291.822 3.173 20 30 CGEDHN C=CCC[C@@H](N[C@@H](C)CC(C)(C)O)c1ccco1 ZINC000296458721 373140273 /nfs/dbraw/zinc/14/02/73/373140273.db2.gz NENIDQDFEYLGSP-QWHCGFSZSA-N 0 3 251.370 3.426 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OC)C[C@H]2C)cc1 ZINC000443063159 373148725 /nfs/dbraw/zinc/14/87/25/373148725.db2.gz CSPOSGUAHRLHCW-PBHICJAKSA-N 0 3 275.392 3.251 20 30 CGEDHN CC(C)[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000444753546 373262141 /nfs/dbraw/zinc/26/21/41/373262141.db2.gz OLERSBPSKHTAMN-HOCLYGCPSA-N 0 3 299.418 3.253 20 30 CGEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccncc1 ZINC000174435981 373317151 /nfs/dbraw/zinc/31/71/51/373317151.db2.gz CZYNPROOJWCCDW-INIZCTEOSA-N 0 3 281.359 3.203 20 30 CGEDHN CC(C)[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000446743577 373357645 /nfs/dbraw/zinc/35/76/45/373357645.db2.gz VIYBXNFCZBCCPO-HNNXBMFYSA-N 0 3 296.374 3.086 20 30 CGEDHN C=C[C@@H](C)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000447580972 373457080 /nfs/dbraw/zinc/45/70/80/373457080.db2.gz RLQYPIHWNFZFSC-ZYHUDNBSSA-N 0 3 277.364 3.306 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cc(C3CC3)ccc2F)C1 ZINC000449373211 373684724 /nfs/dbraw/zinc/68/47/24/373684724.db2.gz PNSHIELTAMQZIJ-IAQYHMDHSA-N 0 3 258.340 3.485 20 30 CGEDHN C=C(C)CN1CCC(Nc2cc(C)nc(C(C)C)n2)CC1 ZINC000301181629 373685065 /nfs/dbraw/zinc/68/50/65/373685065.db2.gz PGQKKBGPALYBOL-UHFFFAOYSA-N 0 3 288.439 3.361 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc(F)c(Cl)c2)C1 ZINC000449401632 373686604 /nfs/dbraw/zinc/68/66/04/373686604.db2.gz NMYLTHPMBXMUTN-GHMZBOCLSA-N 0 3 282.746 3.140 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1 ZINC000449453998 373738241 /nfs/dbraw/zinc/73/82/41/373738241.db2.gz NZHAOLHVDYYATH-IBGZPJMESA-N 0 3 297.398 3.417 20 30 CGEDHN CC(C)[C@H](CO)[C@@H](NCc1ccc(C#N)cc1F)C(C)C ZINC000449511850 373812866 /nfs/dbraw/zinc/81/28/66/373812866.db2.gz OEHYZFXKJAPMCL-RDJZCZTQSA-N 0 3 292.398 3.076 20 30 CGEDHN C=CCC1(CNCc2cn(C(C)C)nn2)CCCC1 ZINC000449606449 373833612 /nfs/dbraw/zinc/83/36/12/373833612.db2.gz QXAUDFWBASREKQ-UHFFFAOYSA-N 0 3 262.401 3.085 20 30 CGEDHN C=CCC1(C(=O)NC2CCN(CC(=C)C)CC2)CCCC1 ZINC000449846595 373943131 /nfs/dbraw/zinc/94/31/31/373943131.db2.gz ZHSMAQYNEXECCC-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN COc1cc(F)cc(C[C@@H](C)NCc2ccc(C#N)o2)c1 ZINC000449780877 373910873 /nfs/dbraw/zinc/91/08/73/373910873.db2.gz GUFCDRSRIQRABO-LLVKDONJSA-N 0 3 288.322 3.020 20 30 CGEDHN CO[C@@H](Cc1ccccc1)CN(C)Cc1ccc(C#N)cc1 ZINC000450227233 374008677 /nfs/dbraw/zinc/00/86/77/374008677.db2.gz OWCRYSBMTCACQC-IBGZPJMESA-N 0 3 294.398 3.248 20 30 CGEDHN CCC1(CC)[C@@H](NCc2ccc(C#N)o2)[C@H](C)[C@@H]1OC ZINC000180213531 373978313 /nfs/dbraw/zinc/97/83/13/373978313.db2.gz NLBJVTMFIIFSTR-CQDKDKBSSA-N 0 3 276.380 3.081 20 30 CGEDHN C#CCSCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000181095535 374078953 /nfs/dbraw/zinc/07/89/53/374078953.db2.gz XWJFZVCGSIMEBS-ZDUSSCGKSA-N 0 3 270.401 3.252 20 30 CGEDHN COCCC[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214545 374095155 /nfs/dbraw/zinc/09/51/55/374095155.db2.gz PPJDONIOTCUHOU-CYBMUJFWSA-N 0 3 299.336 3.462 20 30 CGEDHN N#CCCCN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181233259 374097233 /nfs/dbraw/zinc/09/72/33/374097233.db2.gz NZNOJHSTIUCDRS-ZBFHGGJFSA-N 0 3 258.365 3.048 20 30 CGEDHN N#Cc1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000307875169 374155398 /nfs/dbraw/zinc/15/53/98/374155398.db2.gz DEUVHDHNVUFMNE-UHFFFAOYSA-N 0 3 250.292 3.035 20 30 CGEDHN C[C@@H](NCCCC#N)c1cccc(N2CCCC2)c1 ZINC000181889231 374188421 /nfs/dbraw/zinc/18/84/21/374188421.db2.gz DSISNIDRTRJYBG-CQSZACIVSA-N 0 3 257.381 3.241 20 30 CGEDHN C=CCOc1ccccc1CNC[C@](C)(CC)OC ZINC000322637034 374355042 /nfs/dbraw/zinc/35/50/42/374355042.db2.gz SQCPPRLBAYSIAH-INIZCTEOSA-N 0 3 263.381 3.156 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccccc1OC(F)(F)F ZINC000320268731 374351216 /nfs/dbraw/zinc/35/12/16/374351216.db2.gz LAECQVFMULFNPO-LBPRGKRZSA-N 0 3 289.297 3.002 20 30 CGEDHN CC[C@H]1CC[C@@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332105403 374553227 /nfs/dbraw/zinc/55/32/27/374553227.db2.gz HQELWPCVDDHPBB-DOMZBBRYSA-N 0 3 296.374 3.371 20 30 CGEDHN Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(C)C#N)CC1 ZINC000334434401 374749545 /nfs/dbraw/zinc/74/95/45/374749545.db2.gz YHZWGSWXDMMTOT-LBPRGKRZSA-N 0 3 295.386 3.342 20 30 CGEDHN N#Cc1csc(CN2CCCC3(CCOCC3)C2)c1 ZINC000334427127 374741734 /nfs/dbraw/zinc/74/17/34/374741734.db2.gz WRPIUOOQYPLIAI-UHFFFAOYSA-N 0 3 276.405 3.012 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](CC)c1cccc(Cl)c1F ZINC000185988821 374781333 /nfs/dbraw/zinc/78/13/33/374781333.db2.gz SMKBPBJLGOHIRS-GXFFZTMASA-N 0 3 271.763 3.457 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000186696294 374900717 /nfs/dbraw/zinc/90/07/17/374900717.db2.gz YXGZVWMUFCKNAG-MWLCHTKSSA-N 0 3 257.736 3.067 20 30 CGEDHN CN(CCN(C)C1CC1)Cc1ccccc1C(C)(C)C#N ZINC000186784513 374918370 /nfs/dbraw/zinc/91/83/70/374918370.db2.gz HIBTZIRBFRNVRM-UHFFFAOYSA-N 0 3 285.435 3.014 20 30 CGEDHN C=CCOCCCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000470772090 374999490 /nfs/dbraw/zinc/99/94/90/374999490.db2.gz JDRKAQGQZRCNQO-MRXNPFEDSA-N 0 3 295.810 3.386 20 30 CGEDHN COc1ccc(CNCC2(OC)CCCCC2)cc1C#N ZINC000187448841 375024058 /nfs/dbraw/zinc/02/40/58/375024058.db2.gz UGKIHYZOLQYWEH-UHFFFAOYSA-N 0 3 288.391 3.006 20 30 CGEDHN C=C(C)[C@@H](NC[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000479416710 375151476 /nfs/dbraw/zinc/15/14/76/375151476.db2.gz ZFXINJKGDVASOD-IAQYHMDHSA-N 0 3 267.319 3.208 20 30 CGEDHN C=C(C)[C@H](N[C@@H]1CN(C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480693054 375160925 /nfs/dbraw/zinc/16/09/25/375160925.db2.gz BMICZBUTZSYSHH-XZJROXQQSA-N 0 3 280.362 3.122 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(OCC(C)C)cc1 ZINC000483403210 375180035 /nfs/dbraw/zinc/18/00/35/375180035.db2.gz HWYUYXNZODQDTJ-UHFFFAOYSA-N 0 3 277.408 3.356 20 30 CGEDHN C=C(C)CN(C)CCOc1ccc(Cl)c(F)c1 ZINC000484073129 375187213 /nfs/dbraw/zinc/18/72/13/375187213.db2.gz UWFPFDNTBMCOMT-UHFFFAOYSA-N 0 3 257.736 3.366 20 30 CGEDHN COCCN(CC#Cc1ccc(F)cc1)[C@@H]1CCC[C@H]1C ZINC000487946700 375287920 /nfs/dbraw/zinc/28/79/20/375287920.db2.gz BXPRTCQUXZGWBY-CRAIPNDOSA-N 0 3 289.394 3.314 20 30 CGEDHN COCCN(Cc1cccc(C#N)c1F)[C@@H]1CCC[C@@H]1C ZINC000487981052 375290087 /nfs/dbraw/zinc/29/00/87/375290087.db2.gz NAAMWSXDBIKUIV-XJKSGUPXSA-N 0 3 290.382 3.334 20 30 CGEDHN COCCN(Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@H]1C ZINC000487999177 375294709 /nfs/dbraw/zinc/29/47/09/375294709.db2.gz LEMRZAZPVHFCRH-CXAGYDPISA-N 0 3 290.382 3.334 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cccc3cccnc32)C1 ZINC000335285430 375258382 /nfs/dbraw/zinc/25/83/82/375258382.db2.gz VWZSZPLXSZSRPY-DOMZBBRYSA-N 0 3 251.333 3.017 20 30 CGEDHN Cc1cccc(-c2cccc(CNC(=O)C(C)C#N)c2)c1 ZINC000510651202 375786305 /nfs/dbraw/zinc/78/63/05/375786305.db2.gz UMAJBVYEOMOPPZ-CQSZACIVSA-N 0 3 278.355 3.438 20 30 CGEDHN C=C(C)COCCNC/C=C/c1ccc(F)c(F)c1 ZINC000512056025 375795374 /nfs/dbraw/zinc/79/53/74/375795374.db2.gz FAOLVBXFHWFKIW-ONEGZZNKSA-N 0 3 267.319 3.160 20 30 CGEDHN C=CCSCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192977048 375810317 /nfs/dbraw/zinc/81/03/17/375810317.db2.gz MPVAYHMXNGJKIC-HNNXBMFYSA-N 0 3 292.404 3.481 20 30 CGEDHN CC(C)[C@H](Cc1ccc(F)cc1)NC[C@H](C#N)CCC#N ZINC000515832428 375815939 /nfs/dbraw/zinc/81/59/39/375815939.db2.gz VRADVSGOKICSJV-RDJZCZTQSA-N 0 3 287.382 3.426 20 30 CGEDHN N#CC1(F)CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000510872509 375788598 /nfs/dbraw/zinc/78/85/98/375788598.db2.gz NROJDAFLVAIDSQ-CQSZACIVSA-N 0 3 272.367 3.119 20 30 CGEDHN C=C(C)CCN1CCC[C@@]1(CCC)C(=O)OCC ZINC000510781510 375788741 /nfs/dbraw/zinc/78/87/41/375788741.db2.gz PEJBNNPOVPDQFL-HNNXBMFYSA-N 0 3 253.386 3.150 20 30 CGEDHN CN(C)CCSCc1ccc(Br)cc1C#N ZINC000336675779 375901016 /nfs/dbraw/zinc/90/10/16/375901016.db2.gz VILRMUDKXAMVSJ-UHFFFAOYSA-N 0 3 299.237 3.116 20 30 CGEDHN C[C@H](CCC#N)N1CCC(Oc2cccc(F)c2)CC1 ZINC000528573912 375904483 /nfs/dbraw/zinc/90/44/83/375904483.db2.gz MRXNFTHRQUOSKV-CYBMUJFWSA-N 0 3 276.355 3.361 20 30 CGEDHN N#CC(C(=O)[C@H]1CCCC12CC2)c1nc2ccccc2[nH]1 ZINC000528911294 375914163 /nfs/dbraw/zinc/91/41/63/375914163.db2.gz WJZINULNOONFEB-NWDGAFQWSA-N 0 3 279.343 3.319 20 30 CGEDHN OCCN(CC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000535287145 376032425 /nfs/dbraw/zinc/03/24/25/376032425.db2.gz GRZNOOAHYVCCJN-UHFFFAOYSA-N 0 3 291.822 3.319 20 30 CGEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cnc2ccc(C#N)cn12 ZINC000536682658 376121559 /nfs/dbraw/zinc/12/15/59/376121559.db2.gz AQILYSJALLARSP-FRFSOERESA-N 0 3 294.402 3.359 20 30 CGEDHN C=C(C)CCN[C@H](CO)c1cccc(Cl)c1F ZINC000337231741 376151639 /nfs/dbraw/zinc/15/16/39/376151639.db2.gz UUCRQPOBYNEZJL-GFCCVEGCSA-N 0 3 257.736 3.068 20 30 CGEDHN C=C(CC)CN1C[C@H](C)N(CC(=C)CC)C[C@H]1C ZINC000538014046 376219702 /nfs/dbraw/zinc/21/97/02/376219702.db2.gz ODVBSCKJUUPBQJ-IYBDPMFKSA-N 0 3 250.430 3.313 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000538285684 376230323 /nfs/dbraw/zinc/23/03/23/376230323.db2.gz ILHONMRKOFYVIL-OWCLPIDISA-N 0 3 295.471 3.151 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000539388754 376306883 /nfs/dbraw/zinc/30/68/83/376306883.db2.gz YSTHSSNXEWDJMB-JYJNAYRXSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CCCN1CCN(Cc2ccccc2OCC)C[C@H]1C ZINC000338541570 376415712 /nfs/dbraw/zinc/41/57/12/376415712.db2.gz HLIZBGXBWDHIEV-MRXNPFEDSA-N 0 3 288.435 3.168 20 30 CGEDHN COc1ccc(C2CCC(NC[C@@H](C)C#N)CC2)cc1 ZINC000541763441 376478215 /nfs/dbraw/zinc/47/82/15/376478215.db2.gz LAHBHENSVPGBQX-HLIUYOAVSA-N 0 3 272.392 3.471 20 30 CGEDHN C#CCCCCNCc1ccc(OC)c(OC)c1Cl ZINC000229743440 376469763 /nfs/dbraw/zinc/46/97/63/376469763.db2.gz JULOOFOITQQYKV-UHFFFAOYSA-N 0 3 281.783 3.250 20 30 CGEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)C1(C)C ZINC000234841068 376622823 /nfs/dbraw/zinc/62/28/23/376622823.db2.gz OIFJLNZNIJMHCW-ZIAGYGMSSA-N 0 3 278.783 3.115 20 30 CGEDHN COc1cc(CN2CCC[C@H]3CCC[C@@H]32)ccc1C#N ZINC000234999646 376626234 /nfs/dbraw/zinc/62/62/34/376626234.db2.gz VXQDVPPNNLYEPL-ZBFHGGJFSA-N 0 3 270.376 3.331 20 30 CGEDHN C=C(C)CN(CCC1(OC)CCC1)Cc1ccc(CO)o1 ZINC000339193014 376732686 /nfs/dbraw/zinc/73/26/86/376732686.db2.gz NVGGXGVZURWFHC-UHFFFAOYSA-N 0 3 293.407 3.109 20 30 CGEDHN N#CCCCOc1cccc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000339588095 376763776 /nfs/dbraw/zinc/76/37/76/376763776.db2.gz VWPAGBAOJHYKAT-JKSUJKDBSA-N 0 3 276.355 3.349 20 30 CGEDHN CC[C@@H](c1ccccc1OC)N(C)CCOCCC#N ZINC000339206907 376733510 /nfs/dbraw/zinc/73/35/10/376733510.db2.gz WVLVCEJETOCOBH-HNNXBMFYSA-N 0 3 276.380 3.008 20 30 CGEDHN C=CCOCCN(C)[C@@H](CC)c1cccc(OC)c1 ZINC000339197454 376734041 /nfs/dbraw/zinc/73/40/41/376734041.db2.gz DCIPYZBRVOVWPJ-INIZCTEOSA-N 0 3 263.381 3.281 20 30 CGEDHN Cn1cc(C(C)(C)NCc2ccccc2C(C)(C)C#N)cn1 ZINC000545292781 376809482 /nfs/dbraw/zinc/80/94/82/376809482.db2.gz JXYMQAVDNMSYAU-UHFFFAOYSA-N 0 3 296.418 3.246 20 30 CGEDHN CC[C@@]1(C)CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000340197101 376946212 /nfs/dbraw/zinc/94/62/12/376946212.db2.gz ZQUUVAZZMVHRMN-INIZCTEOSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)CN1C1CC1 ZINC000246348206 377013070 /nfs/dbraw/zinc/01/30/70/377013070.db2.gz HKYXBIGXNVAWJD-QGPMSJSTSA-N 0 3 283.419 3.246 20 30 CGEDHN CC[C@@H](N[C@H](C)c1cc[nH]c(=O)c1)c1ccc(C#N)cc1 ZINC000340443139 377060468 /nfs/dbraw/zinc/06/04/68/377060468.db2.gz DHAYMCRWBPJGAM-MLGOLLRUSA-N 0 3 281.359 3.461 20 30 CGEDHN C=C(CNCc1cnn(C(C)C)c1)c1ccccc1 ZINC000264814317 190136171 /nfs/dbraw/zinc/13/61/71/190136171.db2.gz CCOTZXJGKUKTOU-UHFFFAOYSA-N 0 3 255.365 3.267 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ncc(C#N)cc1Cl ZINC000341103762 377398716 /nfs/dbraw/zinc/39/87/16/377398716.db2.gz OELWSAWHLRRMHB-VXGBXAGGSA-N 0 3 292.814 3.281 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000565246038 377485809 /nfs/dbraw/zinc/48/58/09/377485809.db2.gz LFUPHJDIWXBTEM-ZWNOBZJWSA-N 0 3 298.367 3.265 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OC3CCCC3)nc2)C1 ZINC000566849340 377500497 /nfs/dbraw/zinc/50/04/97/377500497.db2.gz WDYMSFVDUHFICY-HIFRSBDPSA-N 0 3 285.391 3.185 20 30 CGEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000093492116 249037843 /nfs/dbraw/zinc/03/78/43/249037843.db2.gz QDCTVSVSWKQZHE-INIZCTEOSA-N 0 3 285.416 3.012 20 30 CGEDHN Cc1cncc([C@@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000567856503 377511800 /nfs/dbraw/zinc/51/18/00/377511800.db2.gz LNMZQDCWZPSKQV-CQSZACIVSA-N 0 3 265.360 3.307 20 30 CGEDHN N#CCCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000567906220 377512153 /nfs/dbraw/zinc/51/21/53/377512153.db2.gz POIFKSFPAFMPRO-UHFFFAOYSA-N 0 3 284.363 3.185 20 30 CGEDHN C[C@H](NCCOCC1CCCC1)c1ccc(C#N)cc1 ZINC000313249513 249090414 /nfs/dbraw/zinc/09/04/14/249090414.db2.gz AVUUXFWHAUOPGC-AWEZNQCLSA-N 0 3 272.392 3.416 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H]1CCCC[C@@H]1O ZINC000572291399 377547898 /nfs/dbraw/zinc/54/78/98/377547898.db2.gz LWMWXGSUYAUHBG-HIFRSBDPSA-N 0 3 265.422 3.287 20 30 CGEDHN C[C@H](NCc1ccc2[nH]cnc2c1)c1ccc(C#N)cc1 ZINC000518779217 249286692 /nfs/dbraw/zinc/28/66/92/249286692.db2.gz FYAOTQMEMIHOSK-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN C[C@H](NCc1ccc2nc[nH]c2c1)c1ccc(C#N)cc1 ZINC000518779217 249286694 /nfs/dbraw/zinc/28/66/94/249286694.db2.gz FYAOTQMEMIHOSK-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN Cc1nsc(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000341836943 377620803 /nfs/dbraw/zinc/62/08/03/377620803.db2.gz AADJPQGSFYUMKF-TUAOUCFPSA-N 0 3 292.452 3.102 20 30 CGEDHN C[C@@H](N[C@@H]1CCC1(C)C)C(=O)N(CCC#N)c1ccccc1 ZINC000574183549 377630647 /nfs/dbraw/zinc/63/06/47/377630647.db2.gz MZDSPZSMJWUJPY-GDBMZVCRSA-N 0 3 299.418 3.100 20 30 CGEDHN CC[C@H](C)N[C@@H](CNc1cccc(C#N)n1)c1ccco1 ZINC000343255620 377941484 /nfs/dbraw/zinc/94/14/84/377941484.db2.gz VNJZNPUULAELFI-JSGCOSHPSA-N 0 3 284.363 3.088 20 30 CGEDHN CCCN(CC1(C#N)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000343320767 377951886 /nfs/dbraw/zinc/95/18/86/377951886.db2.gz MNCHFSQPKAUPKG-KGLIPLIRSA-N 0 3 264.413 3.206 20 30 CGEDHN CCCN(CC1(C#N)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000343320770 377952164 /nfs/dbraw/zinc/95/21/64/377952164.db2.gz MNCHFSQPKAUPKG-ZIAGYGMSSA-N 0 3 264.413 3.206 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1sc(C)nc1C ZINC000268580660 378076676 /nfs/dbraw/zinc/07/66/76/378076676.db2.gz SWRSXKWQXNDAJF-WCQYABFASA-N 0 3 268.426 3.080 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000268676452 378089545 /nfs/dbraw/zinc/08/95/45/378089545.db2.gz VYRDKNTWMXTWAM-HZPDHXFCSA-N 0 3 263.356 3.290 20 30 CGEDHN C=CCCCNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000582042779 378281402 /nfs/dbraw/zinc/28/14/02/378281402.db2.gz HZRVZKVDHOEUCT-UHFFFAOYSA-N 0 3 294.761 3.116 20 30 CGEDHN C=CCC[C@@H](NC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000269614186 378243234 /nfs/dbraw/zinc/24/32/34/378243234.db2.gz SBKKRZNVFAXIFX-QGZVFWFLSA-N 0 3 286.419 3.152 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000580372653 378246569 /nfs/dbraw/zinc/24/65/69/378246569.db2.gz YBZUJUCZFWJIIR-BETUJISGSA-N 0 3 298.308 3.186 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000583721675 378341901 /nfs/dbraw/zinc/34/19/01/378341901.db2.gz JSHKXMSXNSQEJS-HZPDHXFCSA-N 0 3 280.456 3.360 20 30 CGEDHN Cc1ccc(CC(C)(C)NCc2cccc(C#N)n2)cc1 ZINC000602698792 378405568 /nfs/dbraw/zinc/40/55/68/378405568.db2.gz YXRWNMQRINGCLR-UHFFFAOYSA-N 0 3 279.387 3.373 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000345814488 378375555 /nfs/dbraw/zinc/37/55/55/378375555.db2.gz KRANPOJKPBFYBX-LSDHHAIUSA-N 0 3 292.382 3.483 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1cccc(C#N)c1 ZINC000271931908 378522630 /nfs/dbraw/zinc/52/26/30/378522630.db2.gz JVHXFMDCGQSRDF-XEZPLFJOSA-N 0 3 258.365 3.166 20 30 CGEDHN CO[C@@H](C)[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000271432249 378491477 /nfs/dbraw/zinc/49/14/77/378491477.db2.gz CANMYEQCODNSQM-RYUDHWBXSA-N 0 3 285.309 3.070 20 30 CGEDHN CC[C@@H](CSC)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271912000 378514818 /nfs/dbraw/zinc/51/48/18/378514818.db2.gz BGPKSXXJGMCQFD-MFKMUULPSA-N 0 3 266.385 3.490 20 30 CGEDHN CCN(CC)CCSc1ncc(C#N)cc1Cl ZINC000266129461 190232794 /nfs/dbraw/zinc/23/27/94/190232794.db2.gz ODGCHZZDAIKBBC-UHFFFAOYSA-N 0 3 269.801 3.041 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000346943639 378697899 /nfs/dbraw/zinc/69/78/99/378697899.db2.gz LLARFYYLFGQCSP-OAHLLOKOSA-N 0 3 282.391 3.223 20 30 CGEDHN C=C[C@@H](CC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000272677148 378687684 /nfs/dbraw/zinc/68/76/84/378687684.db2.gz KDBBPNARJWHXGS-HOTGVXAUSA-N 0 3 298.430 3.113 20 30 CGEDHN Cc1ccnc(N[C@H]2CCN(C)[C@H]2c2ccccc2)c1C#N ZINC000273391579 378743878 /nfs/dbraw/zinc/74/38/78/378743878.db2.gz UYPOTLJVGXFWBZ-IRXDYDNUSA-N 0 3 292.386 3.119 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cccc(F)c1F ZINC000348045848 378764596 /nfs/dbraw/zinc/76/45/96/378764596.db2.gz IWMKWMDFFLONJU-LLVKDONJSA-N 0 3 255.308 3.208 20 30 CGEDHN C[C@H](NC[C@@H]1CCCSC1)c1ccc(C#N)cc1F ZINC000348216642 378843605 /nfs/dbraw/zinc/84/36/05/378843605.db2.gz PEKZQCGLJZITQF-AAEUAGOBSA-N 0 3 278.396 3.491 20 30 CGEDHN CCN(CCCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000348321996 378906873 /nfs/dbraw/zinc/90/68/73/378906873.db2.gz FDRXLZCDFARLIA-UHFFFAOYSA-N 0 3 294.398 3.430 20 30 CGEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1cccs1 ZINC000276776273 378995951 /nfs/dbraw/zinc/99/59/51/378995951.db2.gz POGKHBIPZWFJLP-UHFFFAOYSA-N 0 3 273.405 3.369 20 30 CGEDHN CCCn1ccnc1CCCN(C)CC#Cc1ccccc1 ZINC000277198063 379095547 /nfs/dbraw/zinc/09/55/47/379095547.db2.gz MJHMKOLLHDFBJU-UHFFFAOYSA-N 0 3 295.430 3.209 20 30 CGEDHN C[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1 ZINC000266471988 190259798 /nfs/dbraw/zinc/25/97/98/190259798.db2.gz OFGIEBYIBDFCOA-QWRGUYRKSA-N 0 3 286.297 3.176 20 30 CGEDHN C=CCC[C@H](C)NCc1nc2cc(OC)ccc2n1C ZINC000349427338 379279215 /nfs/dbraw/zinc/27/92/15/379279215.db2.gz XEIBPHHKKPLVMJ-LBPRGKRZSA-N 0 3 273.380 3.026 20 30 CGEDHN Cc1cc(C#N)cc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000376401284 379550786 /nfs/dbraw/zinc/55/07/86/379550786.db2.gz AAPDNMJVJBXLKP-AEFFLSMTSA-N 0 3 292.386 3.119 20 30 CGEDHN C=CCN(Cc1cccc2ncccc12)[C@@H](C)COC ZINC000639785572 379583953 /nfs/dbraw/zinc/58/39/53/379583953.db2.gz YVGXNABUOBDYKW-AWEZNQCLSA-N 0 3 270.376 3.258 20 30 CGEDHN C=CCN1CCC(n2c(C)nc3ccccc32)CC1 ZINC000280223867 379646151 /nfs/dbraw/zinc/64/61/51/379646151.db2.gz LNKAXPHRNUEKEY-UHFFFAOYSA-N 0 3 255.365 3.168 20 30 CGEDHN C=C(CC)CN1CCC(Cc2nccs2)CC1 ZINC000639986248 379676014 /nfs/dbraw/zinc/67/60/14/379676014.db2.gz SCBGUJGQSHFJIN-UHFFFAOYSA-N 0 3 250.411 3.364 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000280819153 379800108 /nfs/dbraw/zinc/80/01/08/379800108.db2.gz NEFYIVKFEYURIF-KMFMINBZSA-N 0 3 275.392 3.414 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000640299022 379767633 /nfs/dbraw/zinc/76/76/33/379767633.db2.gz JPDJQPZAFHCNTG-KBPBESRZSA-N 0 3 290.407 3.181 20 30 CGEDHN C=CC[C@H](CC)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000281386408 379832254 /nfs/dbraw/zinc/83/22/54/379832254.db2.gz OSGSCFJZZIXCFU-AWEZNQCLSA-N 0 3 275.396 3.224 20 30 CGEDHN C=CC[C@@H](CC)NCc1cnc([C@@H]2CCCO2)s1 ZINC000281404965 379833651 /nfs/dbraw/zinc/83/36/51/379833651.db2.gz PUXJHUIXKVJCIV-YPMHNXCESA-N 0 3 266.410 3.439 20 30 CGEDHN C=CC[C@@H](CC)NCc1ccc(Br)o1 ZINC000281517884 379838484 /nfs/dbraw/zinc/83/84/84/379838484.db2.gz XRQQIULHLRLUQS-SECBINFHSA-N 0 3 258.159 3.486 20 30 CGEDHN CC1(C)CN(CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000378831691 379856677 /nfs/dbraw/zinc/85/66/77/379856677.db2.gz KHVKNCBTCWDFFT-JKSUJKDBSA-N 0 3 297.402 3.007 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2cscc2Cl)CC1 ZINC000640784182 379863962 /nfs/dbraw/zinc/86/39/62/379863962.db2.gz QODIZCVQPVDIII-UHFFFAOYSA-N 0 3 299.827 3.173 20 30 CGEDHN C=C(C)CCNCc1cc(Cl)cc2c1OCC2 ZINC000387491012 379875936 /nfs/dbraw/zinc/87/59/36/379875936.db2.gz WKBXQBJZPJGISP-UHFFFAOYSA-N 0 3 251.757 3.331 20 30 CGEDHN CO[C@@H]([C@@H](C)N[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000388325739 379886153 /nfs/dbraw/zinc/88/61/53/379886153.db2.gz ZIEHRSLTSVGGQI-OZVIIMIRSA-N 0 3 258.365 3.022 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)C(C)(C)c1ccccc1 ZINC000352826040 379986067 /nfs/dbraw/zinc/98/60/67/379986067.db2.gz VLEVQEHGPXYPJU-LBPRGKRZSA-N 0 3 285.416 3.471 20 30 CGEDHN CCCC[C@H](CC)CNCc1nc(C#N)cs1 ZINC000352840940 379996694 /nfs/dbraw/zinc/99/66/94/379996694.db2.gz PSRCFEFUEYCHMJ-NSHDSACASA-N 0 3 251.399 3.321 20 30 CGEDHN C[C@H](CCNCc1nc(C#N)cs1)c1ccccc1 ZINC000352843842 379999067 /nfs/dbraw/zinc/99/90/67/379999067.db2.gz COOIZAUVVIYUGH-GFCCVEGCSA-N 0 3 271.389 3.298 20 30 CGEDHN COc1cc(CNCc2cc(C)cc(C)c2)ccc1C#N ZINC000353249256 380189445 /nfs/dbraw/zinc/18/94/45/380189445.db2.gz MWVVIUKLCMRFHZ-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN Cc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1[N+](=O)[O-] ZINC000414159317 380193490 /nfs/dbraw/zinc/19/34/90/380193490.db2.gz BCECACCAFYNQGZ-GFCCVEGCSA-N 0 3 275.352 3.494 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cscc1Cl ZINC000643793965 380381413 /nfs/dbraw/zinc/38/14/13/380381413.db2.gz OWSCHEPZXSGLFZ-CABZTGNLSA-N 0 3 257.786 3.082 20 30 CGEDHN C=CCOc1ccc(CN(CC)[C@H](C)CO)cc1Cl ZINC000354437309 380437924 /nfs/dbraw/zinc/43/79/24/380437924.db2.gz RLGBSQCBFFMYFE-GFCCVEGCSA-N 0 3 283.799 3.108 20 30 CGEDHN CC[C@@H](C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354459348 380447826 /nfs/dbraw/zinc/44/78/26/380447826.db2.gz DQZXLVXSMFJCNO-DOMZBBRYSA-N 0 3 295.342 3.144 20 30 CGEDHN CC[C@@H](C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354459348 380447831 /nfs/dbraw/zinc/44/78/31/380447831.db2.gz DQZXLVXSMFJCNO-DOMZBBRYSA-N 0 3 295.342 3.144 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415895969 380516182 /nfs/dbraw/zinc/51/61/82/380516182.db2.gz NKSWHLUXXFLIQU-ZDUSSCGKSA-N 0 3 287.407 3.199 20 30 CGEDHN C=C(C)[C@H](CO)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000645023052 380566907 /nfs/dbraw/zinc/56/69/07/380566907.db2.gz YFQAJGRJVOXZGG-HIFRSBDPSA-N 0 3 265.784 3.066 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)CC(C)C ZINC000417364398 380609187 /nfs/dbraw/zinc/60/91/87/380609187.db2.gz LVOOSDKXVNQNMQ-TZMCWYRMSA-N 0 3 278.371 3.409 20 30 CGEDHN C=CCCCNCc1c(Cl)n(C)nc1C(C)C ZINC000279167978 194313983 /nfs/dbraw/zinc/31/39/83/194313983.db2.gz QJNWYIDNENMIOP-UHFFFAOYSA-N 0 3 255.793 3.253 20 30 CGEDHN C=C(C)CCN[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000419241986 380786748 /nfs/dbraw/zinc/78/67/48/380786748.db2.gz QTDRSRLEZNVHOZ-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CCCCCN[C@H](CCO)c1ccccc1F ZINC000646070538 380819733 /nfs/dbraw/zinc/81/97/33/380819733.db2.gz YRWPOESFPMOQRL-OAHLLOKOSA-N 0 3 251.345 3.195 20 30 CGEDHN CN(C)[C@H](CNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421346628 380888343 /nfs/dbraw/zinc/88/83/43/380888343.db2.gz ZMLLGKBBPYNTST-GOSISDBHSA-N 0 3 297.377 3.090 20 30 CGEDHN C=C(C)CN(CCC1OCCCO1)Cc1ccccc1 ZINC000279346527 194394366 /nfs/dbraw/zinc/39/43/66/194394366.db2.gz QDXMXUBXOLUYQC-UHFFFAOYSA-N 0 3 275.392 3.218 20 30 CGEDHN C=C(CC)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000358493554 381311950 /nfs/dbraw/zinc/31/19/50/381311950.db2.gz DNKBRSYFSLGISE-UHFFFAOYSA-N 0 3 270.376 3.368 20 30 CGEDHN C=C(CC)CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000358496842 381312231 /nfs/dbraw/zinc/31/22/31/381312231.db2.gz JWJCOOZCLLIEHE-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN Cc1ccc(CSCCNCc2cc(C#N)n(C)c2)cc1 ZINC000359959616 381389561 /nfs/dbraw/zinc/38/95/61/381389561.db2.gz SHAGZXRAUZRDKM-UHFFFAOYSA-N 0 3 299.443 3.228 20 30 CGEDHN COc1cccc([C@@H]2C[C@@H](C)CN2CCCC#N)c1 ZINC000360464442 381552494 /nfs/dbraw/zinc/55/24/94/381552494.db2.gz CEAGBUAIQIMSCS-CJNGLKHVSA-N 0 3 258.365 3.382 20 30 CGEDHN CC#CCCN1CCC(OC2CCC(C)CC2)CC1 ZINC000360453130 381549056 /nfs/dbraw/zinc/54/90/56/381549056.db2.gz BLXWXCYHNYRLAN-UHFFFAOYSA-N 0 3 263.425 3.460 20 30 CGEDHN C=CCCCCCN(C)[C@@H]1CCCN(C(C)C)C1=O ZINC000361453237 381752231 /nfs/dbraw/zinc/75/22/31/381752231.db2.gz CSGCFCWEOPPWTO-OAHLLOKOSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCCCCCN(C)[C@H]1CCCN(C(C)C)C1=O ZINC000361453236 381752956 /nfs/dbraw/zinc/75/29/56/381752956.db2.gz CSGCFCWEOPPWTO-HNNXBMFYSA-N 0 3 266.429 3.064 20 30 CGEDHN N#CC(C(=O)c1cncc(F)c1)c1nccc2ccccc21 ZINC000361531152 381788974 /nfs/dbraw/zinc/78/89/74/381788974.db2.gz PDQORZKVEQYGQK-OAHLLOKOSA-N 0 3 291.285 3.259 20 30 CGEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335378538 208317113 /nfs/dbraw/zinc/31/71/13/208317113.db2.gz HAMTVGRCAWEHOR-WMLDXEAASA-N 0 3 288.366 3.088 20 30 CGEDHN C=CCOCCN[C@H]1CCc2ccc(Br)cc21 ZINC000302325830 572516303 /nfs/dbraw/zinc/51/63/03/572516303.db2.gz FNFSZWXCHSTQCG-AWEZNQCLSA-N 0 3 296.208 3.229 20 30 CGEDHN C[C@@H]1[C@@H](Nc2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000288367625 197060420 /nfs/dbraw/zinc/06/04/20/197060420.db2.gz YGAYZGQSRHLETJ-PBHICJAKSA-N 0 3 292.386 3.028 20 30 CGEDHN COc1cc(CNC[C@@H](C)Oc2ccccc2)ccc1C#N ZINC000281792030 195384005 /nfs/dbraw/zinc/38/40/05/195384005.db2.gz UPSFHISOMLJZTR-CQSZACIVSA-N 0 3 296.370 3.124 20 30 CGEDHN Cc1cccc(C(C)(C)NCc2cc(C#N)n(C)c2)c1 ZINC000191124994 130186574 /nfs/dbraw/zinc/18/65/74/130186574.db2.gz PFQBRSUFHPIPII-UHFFFAOYSA-N 0 3 267.376 3.230 20 30 CGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C1CCC1 ZINC000093475695 392237478 /nfs/dbraw/zinc/23/74/78/392237478.db2.gz ZYCRVXFMKOKCOT-UHFFFAOYSA-N 0 3 294.402 3.448 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000284660714 392314266 /nfs/dbraw/zinc/31/42/66/392314266.db2.gz DVWXKEOVTXIVBL-UHFFFAOYSA-N 0 3 288.366 3.178 20 30 CGEDHN C=CCN(C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282778819 392295490 /nfs/dbraw/zinc/29/54/90/392295490.db2.gz KOJGVXNOZCDREY-UHFFFAOYSA-N 0 3 255.365 3.013 20 30 CGEDHN CN(CC[C@@H](O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000285323842 392321130 /nfs/dbraw/zinc/32/11/30/392321130.db2.gz WVVLMGZTRQNMOT-GOSISDBHSA-N 0 3 280.371 3.114 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1cccc(CNC)c1 ZINC000237105636 131005324 /nfs/dbraw/zinc/00/53/24/131005324.db2.gz ZUMCGZYUXZGJNN-UHFFFAOYSA-N 0 3 258.365 3.113 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2sccc2Cl)CC1 ZINC000285479361 392324401 /nfs/dbraw/zinc/32/44/01/392324401.db2.gz VRKXZTXPHZGMIX-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(COCCOC)cc1 ZINC000289173233 392415558 /nfs/dbraw/zinc/41/55/58/392415558.db2.gz SCMITESRKQBUEX-UHFFFAOYSA-N 0 3 275.392 3.024 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OCCC)nc2)cc1 ZINC000289298611 392418649 /nfs/dbraw/zinc/41/86/49/392418649.db2.gz QNWLVIJUFUBSIX-UHFFFAOYSA-N 0 3 280.371 3.142 20 30 CGEDHN Cc1cnn([C@@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000290030017 392439950 /nfs/dbraw/zinc/43/99/50/392439950.db2.gz VSPWCIQHOKJTNU-RHSMWYFYSA-N 0 3 280.375 3.071 20 30 CGEDHN C#Cc1ccc(CNC2(c3cccc(OC)c3)CC2)cc1 ZINC000290549180 392450705 /nfs/dbraw/zinc/45/07/05/392450705.db2.gz YZLCHCREGGYTTC-UHFFFAOYSA-N 0 3 277.367 3.455 20 30 CGEDHN CCN(Cc1ccc(C#N)s1)[C@@H]1CCOC(C)(C)C1 ZINC000291621907 392471259 /nfs/dbraw/zinc/47/12/59/392471259.db2.gz RSNCUCREGBKAJD-GFCCVEGCSA-N 0 3 278.421 3.399 20 30 CGEDHN C#Cc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000292697836 392510111 /nfs/dbraw/zinc/51/01/11/392510111.db2.gz BZTGJFHRFHZUMX-LSDHHAIUSA-N 0 3 261.315 3.145 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCCS2)c(F)c1 ZINC000158292809 392562113 /nfs/dbraw/zinc/56/21/13/392562113.db2.gz OAODLOJOWGBFFR-CYBMUJFWSA-N 0 3 264.369 3.073 20 30 CGEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000298459004 392575879 /nfs/dbraw/zinc/57/58/79/392575879.db2.gz KSCJRQUMVGFLQF-NSHDSACASA-N 0 3 293.798 3.126 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000374410278 392678017 /nfs/dbraw/zinc/67/80/17/392678017.db2.gz GTALLMVMSOSWQV-JKSUJKDBSA-N 0 3 289.806 3.050 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000181324201 392728160 /nfs/dbraw/zinc/72/81/60/392728160.db2.gz DQORXRPIMOGYKM-CQSZACIVSA-N 0 3 287.325 3.117 20 30 CGEDHN COc1ccc(OCCN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181984761 392739092 /nfs/dbraw/zinc/73/90/92/392739092.db2.gz YCJKOXOBEMIBJJ-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN N#Cc1ccc(CN(C[C@H]2CCC=CO2)C2CC2)cc1 ZINC000193682331 392882693 /nfs/dbraw/zinc/88/26/93/392882693.db2.gz DEHVUNQECMGBFH-QGZVFWFLSA-N 0 3 268.360 3.215 20 30 CGEDHN C=CCOCCN(Cc1ccc(C)s1)C(C)C ZINC000338925242 392935350 /nfs/dbraw/zinc/93/53/50/392935350.db2.gz LLTRJTGBHOUYEH-UHFFFAOYSA-N 0 3 253.411 3.470 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(OCCc3ccccc3)CC2)C1 ZINC000338934656 392935940 /nfs/dbraw/zinc/93/59/40/392935940.db2.gz RGEYTTATRHRXOS-QZTJIDSGSA-N 0 3 298.430 3.402 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000338936986 392936442 /nfs/dbraw/zinc/93/64/42/392936442.db2.gz VRILNVUKWWPEMT-UHFFFAOYSA-N 0 3 261.394 3.157 20 30 CGEDHN C=CCN(CCc1ccco1)CCC1(OC)CCC1 ZINC000339079068 392946103 /nfs/dbraw/zinc/94/61/03/392946103.db2.gz VWCMVSHIVVWKIH-UHFFFAOYSA-N 0 3 263.381 3.269 20 30 CGEDHN COCC1(C#N)CCN(c2cc(C)nc3ccccc32)CC1 ZINC000343138118 393019633 /nfs/dbraw/zinc/01/96/33/393019633.db2.gz HEPKKFJJRXWVCK-UHFFFAOYSA-N 0 3 295.386 3.300 20 30 CGEDHN N#CC1(CN(Cc2ccccc2)CC2CCOCC2)CC1 ZINC000343319023 393026645 /nfs/dbraw/zinc/02/66/45/393026645.db2.gz IBEYWSMWSBXSII-UHFFFAOYSA-N 0 3 284.403 3.219 20 30 CGEDHN C=CCCCC[C@H](C)NCc1csc(N(C)C)n1 ZINC000648467336 393039656 /nfs/dbraw/zinc/03/96/56/393039656.db2.gz RKFOATRFPJFPQG-LBPRGKRZSA-N 0 3 267.442 3.434 20 30 CGEDHN CC1(C)CC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000346125026 393075995 /nfs/dbraw/zinc/07/59/95/393075995.db2.gz YDANIGGXBRCRHU-GJZGRUSLSA-N 0 3 270.376 3.064 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000353441116 393223015 /nfs/dbraw/zinc/22/30/15/393223015.db2.gz AGHKTRLNFGQGKE-HNNXBMFYSA-N 0 3 282.391 3.216 20 30 CGEDHN N#CCCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000593958814 393207737 /nfs/dbraw/zinc/20/77/37/393207737.db2.gz ZRPZBFMCHKMDET-KRWDZBQOSA-N 0 3 299.418 3.024 20 30 CGEDHN C=CC[C@@H](C)[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352836352 393211782 /nfs/dbraw/zinc/21/17/82/393211782.db2.gz KKTINVQQYCEUBU-SECBINFHSA-N 0 3 259.271 3.465 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccc(C#N)cc1 ZINC000278367397 393319308 /nfs/dbraw/zinc/31/93/08/393319308.db2.gz BWKZKROSNLALEQ-NHYWBVRUSA-N 0 3 254.337 3.083 20 30 CGEDHN COc1cc(CN2CC(C)(C)[C@@H]2C2CC2)ccc1C#N ZINC000356280622 393406044 /nfs/dbraw/zinc/40/60/44/393406044.db2.gz KTCXDVJUZYSIOD-INIZCTEOSA-N 0 3 270.376 3.187 20 30 CGEDHN C=CCCC1(C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000356452668 393449437 /nfs/dbraw/zinc/44/94/37/393449437.db2.gz GTSCYYUHGCMUPT-UHFFFAOYSA-N 0 3 290.451 3.210 20 30 CGEDHN C=CCCCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000649392606 393410421 /nfs/dbraw/zinc/41/04/21/393410421.db2.gz WBBUHHJEWDULLY-UHFFFAOYSA-N 0 3 275.318 3.227 20 30 CGEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000613255459 542776260 /nfs/dbraw/zinc/77/62/60/542776260.db2.gz FKZMSSMKPYUXKD-DZGCQCFKSA-N 0 3 258.365 3.176 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cccc(C#N)c1F ZINC000360708671 393574591 /nfs/dbraw/zinc/57/45/91/393574591.db2.gz WHBAEAQBJCBILV-CVEARBPZSA-N 0 3 290.382 3.381 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCC2)C12CCCC2 ZINC000450974488 394040431 /nfs/dbraw/zinc/04/04/31/394040431.db2.gz VTBYVLNEEASIJZ-KGLIPLIRSA-N 0 3 262.397 3.008 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2nn(C)c3ccccc23)C1 ZINC000668493629 543020097 /nfs/dbraw/zinc/02/00/97/543020097.db2.gz PXWIUMBCSHRTJF-AWEZNQCLSA-N 0 3 269.392 3.361 20 30 CGEDHN C=CCOc1cccc(CN(C)CC2=CCSC2)c1 ZINC000668775452 543059982 /nfs/dbraw/zinc/05/99/82/543059982.db2.gz KLLFSLHUOIRQLN-UHFFFAOYSA-N 0 3 275.417 3.356 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCN(CC2CC2)C1)c1ccco1 ZINC000671746814 543184898 /nfs/dbraw/zinc/18/48/98/543184898.db2.gz MDXURZIMMPHIJU-HOTGVXAUSA-N 0 3 274.408 3.361 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000397799260 397698187 /nfs/dbraw/zinc/69/81/87/397698187.db2.gz FPBKXCNOFGSOBB-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN C=C(C)CN1CCC(N[C@@H](C)c2nc(C)sc2C)CC1 ZINC000676490966 543399679 /nfs/dbraw/zinc/39/96/79/543399679.db2.gz VWVKDEWNDLXLIM-LBPRGKRZSA-N 0 3 293.480 3.451 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000676740264 543414980 /nfs/dbraw/zinc/41/49/80/543414980.db2.gz PKGMJEVJVJBISL-KSSFIOAISA-N 0 3 298.386 3.462 20 30 CGEDHN CC[C@H]1CN(CC#CCOC)CC[C@@H]1c1ccccc1 ZINC000677133037 543435437 /nfs/dbraw/zinc/43/54/37/543435437.db2.gz DUBYOPKPXQPKNZ-WMZOPIPTSA-N 0 3 271.404 3.152 20 30 CGEDHN COCC#CCN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000677817244 543467394 /nfs/dbraw/zinc/46/73/94/543467394.db2.gz LGLQOFDTFBPZJS-HNNXBMFYSA-N 0 3 265.784 3.277 20 30 CGEDHN COCC#CCN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000677820540 543468337 /nfs/dbraw/zinc/46/83/37/543468337.db2.gz QKFZISSTMPLPET-ZIAGYGMSSA-N 0 3 279.811 3.414 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccccc2Cl)CC1 ZINC000678049301 543479304 /nfs/dbraw/zinc/47/93/04/543479304.db2.gz GWWTWSNYDVOZIB-HNNXBMFYSA-N 0 3 295.810 3.120 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1ccccc1OC(F)F ZINC000678743682 543552568 /nfs/dbraw/zinc/55/25/68/543552568.db2.gz HBLFYOXOKDOIAG-STQMWFEESA-N 0 3 285.334 3.266 20 30 CGEDHN N#Cc1csc(CN2CCc3ccccc3CC2)c1 ZINC000093385387 287115973 /nfs/dbraw/zinc/11/59/73/287115973.db2.gz ZCLMOJOHNAENMG-UHFFFAOYSA-N 0 3 268.385 3.221 20 30 CGEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000007586871 170292024 /nfs/dbraw/zinc/29/20/24/170292024.db2.gz ARDDCQJZQJOFCB-RDJZCZTQSA-N 0 3 297.402 3.151 20 30 CGEDHN C=CCOCCN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000679576761 543648047 /nfs/dbraw/zinc/64/80/47/543648047.db2.gz SPTQSNXMTVBOLO-WBMJQRKESA-N 0 3 263.356 3.241 20 30 CGEDHN Cc1nc(-c2ccc([C@@H](C)NC(=O)C(C)C#N)cc2)cs1 ZINC000347082922 226042367 /nfs/dbraw/zinc/04/23/67/226042367.db2.gz YOOSPWWJEPJMME-WDEREUQCSA-N 0 3 299.399 3.455 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000347109564 226053656 /nfs/dbraw/zinc/05/36/56/226053656.db2.gz PUJJOQPSVYUJDK-LLVKDONJSA-N 0 3 276.767 3.038 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000683843389 543948628 /nfs/dbraw/zinc/94/86/28/543948628.db2.gz AZMBUUZPGBJRMR-QGZVFWFLSA-N 0 3 284.403 3.119 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2c(s1)CCCC2 ZINC000684767447 544028125 /nfs/dbraw/zinc/02/81/25/544028125.db2.gz KJFMESUNMGVDBX-BLLLJJGKSA-N 0 3 292.448 3.093 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000336575909 227128923 /nfs/dbraw/zinc/12/89/23/227128923.db2.gz WLIDRHBYXLPHFA-MFKMUULPSA-N 0 3 294.807 3.193 20 30 CGEDHN Cc1nc(CCNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c(C)o1 ZINC000329036833 227267601 /nfs/dbraw/zinc/26/76/01/227267601.db2.gz RNHQONXZVUJVTK-UTUOFQBUSA-N 0 3 293.411 3.052 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1NCc2ccccc21 ZINC000659331114 418976683 /nfs/dbraw/zinc/97/66/83/418976683.db2.gz DANVHINQBALANY-FHLIZLRMSA-N 0 3 298.430 3.472 20 30 CGEDHN C=CCN(CCc1c(F)cccc1F)[C@H](C)COC ZINC000661239461 419243382 /nfs/dbraw/zinc/24/33/82/419243382.db2.gz MLXOXVLCDPTNCN-GFCCVEGCSA-N 0 3 269.335 3.030 20 30 CGEDHN C=CCCn1cc(CNCC2(c3ccccc3)CCC2)nn1 ZINC000657302580 419246259 /nfs/dbraw/zinc/24/62/59/419246259.db2.gz ZACUHZAEPOOHJD-UHFFFAOYSA-N 0 3 296.418 3.066 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661658519 419283459 /nfs/dbraw/zinc/28/34/59/419283459.db2.gz DJMAQWUYNLVWID-OAHLLOKOSA-N 0 3 279.355 3.174 20 30 CGEDHN C=CCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)C(C)(C)C ZINC000661755920 419295395 /nfs/dbraw/zinc/29/53/95/419295395.db2.gz VFMJDXRYKARFNS-KBPBESRZSA-N 0 3 266.429 3.062 20 30 CGEDHN C=CCC1(NCc2nc(-c3cc(C)ccn3)no2)CCCC1 ZINC000661851125 419304985 /nfs/dbraw/zinc/30/49/85/419304985.db2.gz PVFMTTQZLMAURX-UHFFFAOYSA-N 0 3 298.390 3.419 20 30 CGEDHN C=CCCNCc1c(F)cccc1OC(F)(F)F ZINC000657583953 419309966 /nfs/dbraw/zinc/30/99/66/419309966.db2.gz UTPSJBAQFBKPMW-UHFFFAOYSA-N 0 3 263.234 3.390 20 30 CGEDHN C=C(C)CCN[C@H](CC)c1nnc2n1CCCCC2 ZINC000661942023 419313975 /nfs/dbraw/zinc/31/39/75/419313975.db2.gz TZQHFEBLAUSRAG-CYBMUJFWSA-N 0 3 262.401 3.011 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000662081547 419333565 /nfs/dbraw/zinc/33/35/65/419333565.db2.gz USWJNHLUVWGVRB-LUKYLMHMSA-N 0 3 290.451 3.349 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC000333297994 228196097 /nfs/dbraw/zinc/19/60/97/228196097.db2.gz LLQYBMFGMASIPD-TZMCWYRMSA-N 0 3 284.359 3.076 20 30 CGEDHN C=C[C@H](CO)NCCSc1cc(Cl)ccc1Cl ZINC000662166288 419352202 /nfs/dbraw/zinc/35/22/02/419352202.db2.gz YXCWLKFCRQSVQT-SNVBAGLBSA-N 0 3 292.231 3.222 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncnn1-c1ccccc1 ZINC000657994571 419484525 /nfs/dbraw/zinc/48/45/25/419484525.db2.gz VKQQORFHBFKMAO-NVXWUHKLSA-N 0 3 296.418 3.492 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2c1CNC2 ZINC000662601006 419460019 /nfs/dbraw/zinc/46/00/19/419460019.db2.gz IYQXBLXMLVMNNB-GUYCJALGSA-N 0 3 284.403 3.155 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(CC)s1 ZINC000658020550 419495990 /nfs/dbraw/zinc/49/59/90/419495990.db2.gz WFVFVGMHUUVPHJ-VXGBXAGGSA-N 0 3 265.426 3.325 20 30 CGEDHN C=CCC[C@H](NCCO[C@@H]1CC1(F)F)c1ccco1 ZINC000658169016 419633904 /nfs/dbraw/zinc/63/39/04/419633904.db2.gz KVJVRKJSSSCRHN-WCQYABFASA-N 0 3 271.307 3.301 20 30 CGEDHN C=CCOCCCN[C@H](C)c1ccnn1-c1ccccc1 ZINC000658206568 419658912 /nfs/dbraw/zinc/65/89/12/419658912.db2.gz OWBHLCYJRYCWNY-OAHLLOKOSA-N 0 3 285.391 3.116 20 30 CGEDHN C#CCCN[C@H](C)c1ccc(Br)cc1F ZINC000131915935 260425659 /nfs/dbraw/zinc/42/56/59/260425659.db2.gz WBSJHPALYZUFJV-SECBINFHSA-N 0 3 270.145 3.262 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000183019905 261474868 /nfs/dbraw/zinc/47/48/68/261474868.db2.gz ZNYXUNAKPGUNKI-ZJUUUORDSA-N 0 3 259.802 3.379 20 30 CGEDHN COc1cc(CNCCCOc2ccccc2)ccc1C#N ZINC000318595796 262010792 /nfs/dbraw/zinc/01/07/92/262010792.db2.gz QOZYMVAOKUSQAE-UHFFFAOYSA-N 0 3 296.370 3.126 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(N3CCCCC3)c2)C1 ZINC000185712129 262067828 /nfs/dbraw/zinc/06/78/28/262067828.db2.gz WKKDXWJXTFIQIA-RDJZCZTQSA-N 0 3 298.434 3.244 20 30 CGEDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c([O-])c1 ZINC000185986412 262074389 /nfs/dbraw/zinc/07/43/89/262074389.db2.gz ZGIGTARBHDSINU-AWEZNQCLSA-N 0 3 296.370 3.454 20 30 CGEDHN CC(C)C(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192627438 262206824 /nfs/dbraw/zinc/20/68/24/262206824.db2.gz ZFOYMGRLLHACBO-NVXWUHKLSA-N 0 3 299.418 3.453 20 30 CGEDHN CCOc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1OC ZINC000192865269 262212303 /nfs/dbraw/zinc/21/23/03/262212303.db2.gz LNKFGRKLMTYMEX-HIFRSBDPSA-N 0 3 288.391 3.266 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc3ncccc3c2)C1 ZINC000192976656 262213198 /nfs/dbraw/zinc/21/31/98/262213198.db2.gz XUVIYEPXMMPAJC-BBRMVZONSA-N 0 3 265.360 3.407 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000192987423 262213877 /nfs/dbraw/zinc/21/38/77/262213877.db2.gz HYRGRWHNNRWQQM-WHOFXGATSA-N 0 3 274.339 3.321 20 30 CGEDHN CC(C)(O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000193304955 262220326 /nfs/dbraw/zinc/22/03/26/262220326.db2.gz DIPDURRPRBBRSZ-HOCLYGCPSA-N 0 3 272.392 3.086 20 30 CGEDHN C=CCN(C(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000412234557 262725616 /nfs/dbraw/zinc/72/56/16/262725616.db2.gz VVMSBHSGQCACLD-UHFFFAOYSA-N 0 3 298.430 3.463 20 30 CGEDHN CC(=O)Nc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000414163641 262819383 /nfs/dbraw/zinc/81/93/83/262819383.db2.gz IXIGYUUMNUDAOB-LBPRGKRZSA-N 0 3 273.380 3.235 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000276342677 263036388 /nfs/dbraw/zinc/03/63/88/263036388.db2.gz UMBIXNIRIXTSHE-ZDUSSCGKSA-N 0 3 282.391 3.435 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000278211363 263045819 /nfs/dbraw/zinc/04/58/19/263045819.db2.gz HSXDLPXSACRCGT-XEZPLFJOSA-N 0 3 297.402 3.304 20 30 CGEDHN COCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(C)o1 ZINC000278773803 263051002 /nfs/dbraw/zinc/05/10/02/263051002.db2.gz PHVABFGEAMQSQV-KFWWJZLASA-N 0 3 276.380 3.338 20 30 CGEDHN N#CCOc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278939116 263051957 /nfs/dbraw/zinc/05/19/57/263051957.db2.gz XXSSJFLUCJFSQE-ZDUSSCGKSA-N 0 3 298.308 3.363 20 30 CGEDHN CC(C)CC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279544542 263056036 /nfs/dbraw/zinc/05/60/36/263056036.db2.gz VXNNRYCALWCRDJ-PBHICJAKSA-N 0 3 297.402 3.181 20 30 CGEDHN COCc1ccc([C@@H]2CCCN2[C@@H]2CC[C@H](C#N)C2)o1 ZINC000280996167 263065673 /nfs/dbraw/zinc/06/56/73/263065673.db2.gz MFLQZJHVYSORSO-GUTXKFCHSA-N 0 3 274.364 3.255 20 30 CGEDHN N#CC1CCC(CNCc2nccn2-c2ccccc2)CC1 ZINC000281683747 263071094 /nfs/dbraw/zinc/07/10/94/263071094.db2.gz MODRXBLWXZVHCL-UHFFFAOYSA-N 0 3 294.402 3.292 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H]1OCCc2sccc21 ZINC000291893566 263126329 /nfs/dbraw/zinc/12/63/29/263126329.db2.gz KVRKRDJRCRZEIM-VPWBDBDCSA-N 0 3 290.432 3.422 20 30 CGEDHN COc1ccc2cc(CN(C)CCOCCC#N)ccc2c1 ZINC000293402114 263139891 /nfs/dbraw/zinc/13/98/91/263139891.db2.gz HNLQLUQGDPRBHV-UHFFFAOYSA-N 0 3 298.386 3.210 20 30 CGEDHN Cc1cccc(CC2(O)CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000294179537 263157019 /nfs/dbraw/zinc/15/70/19/263157019.db2.gz QKPKMRXXHKFDSQ-QZTJIDSGSA-N 0 3 298.430 3.057 20 30 CGEDHN N#CCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296673921 263195366 /nfs/dbraw/zinc/19/53/66/263195366.db2.gz GAWLOPNVROMLSH-MRXNPFEDSA-N 0 3 294.354 3.072 20 30 CGEDHN CCN(Cc1ccc(OC)cc1OC)[C@H]1CC[C@H](C#N)C1 ZINC000298027857 263214090 /nfs/dbraw/zinc/21/40/90/263214090.db2.gz FBUUGIGERABNBP-ZFWWWQNUSA-N 0 3 288.391 3.218 20 30 CGEDHN COc1cc(C)c([C@H](C)N[C@H](C)CCC#N)cc1OC ZINC000299561593 263247519 /nfs/dbraw/zinc/24/75/19/263247519.db2.gz GUFDTUQQDZRQOY-OLZOCXBDSA-N 0 3 276.380 3.355 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(C)cc1Br ZINC000341283159 263329966 /nfs/dbraw/zinc/32/99/66/263329966.db2.gz WLLIDCVABOGYHL-GFCCVEGCSA-N 0 3 298.224 3.032 20 30 CGEDHN C=CCN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341877410 263361343 /nfs/dbraw/zinc/36/13/43/263361343.db2.gz PFFIRTUWHGKJMK-ZDUSSCGKSA-N 0 3 281.359 3.171 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](CC)c1cc(F)ccc1F ZINC000341873957 263361623 /nfs/dbraw/zinc/36/16/23/263361623.db2.gz FYWGTXCCKYKTAN-NHYWBVRUSA-N 0 3 269.335 3.190 20 30 CGEDHN C=C1CCN(CCCOc2ccc(OC)cc2)CC1 ZINC000341999981 263375342 /nfs/dbraw/zinc/37/53/42/263375342.db2.gz XBLPNEYPNLEELV-UHFFFAOYSA-N 0 3 261.365 3.116 20 30 CGEDHN C=CCCCN(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416164935 263677799 /nfs/dbraw/zinc/67/77/99/263677799.db2.gz CCGQCTWXUNXWSW-INIZCTEOSA-N 0 3 274.408 3.104 20 30 CGEDHN C=CCSCCNCc1ccc(F)c(Cl)c1 ZINC000126231517 264209769 /nfs/dbraw/zinc/20/97/69/264209769.db2.gz UVKTXRUAIVVVAJ-UHFFFAOYSA-N 0 3 259.777 3.488 20 30 CGEDHN C=CCOc1cccc(CN(C)[C@@H]2CCSC2)c1 ZINC000130531237 264352483 /nfs/dbraw/zinc/35/24/83/264352483.db2.gz MSLAMXALYQQAML-CQSZACIVSA-N 0 3 263.406 3.189 20 30 CGEDHN C=CCOCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000347966498 265139140 /nfs/dbraw/zinc/13/91/40/265139140.db2.gz NHDCTYCODUDACP-UHFFFAOYSA-N 0 3 287.403 3.174 20 30 CGEDHN COCC[C@@H](c1ccccc1)N1CCC(C)(C#N)CC1 ZINC000356443498 266114580 /nfs/dbraw/zinc/11/45/80/266114580.db2.gz DVVDJYXHOIFLCX-INIZCTEOSA-N 0 3 272.392 3.390 20 30 CGEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000356996714 266229202 /nfs/dbraw/zinc/22/92/02/266229202.db2.gz HQSHNTFEVJXTPR-HUUCEWRRSA-N 0 3 285.435 3.012 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000357822901 266372317 /nfs/dbraw/zinc/37/23/17/266372317.db2.gz JVFDGKVJXKPHOI-JOYOIKCWSA-N 0 3 250.729 3.067 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C#N)cc1 ZINC000424332931 267223309 /nfs/dbraw/zinc/22/33/09/267223309.db2.gz TYZAGDOEFIXFOE-IMJJTQAJSA-N 0 3 253.349 3.291 20 30 CGEDHN C=CCCCN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000369402703 267240827 /nfs/dbraw/zinc/24/08/27/267240827.db2.gz HQCILJNNYONOIE-MRXNPFEDSA-N 0 3 288.391 3.064 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000119342606 267323629 /nfs/dbraw/zinc/32/36/29/267323629.db2.gz CQSLCQKNOBHEMK-STQMWFEESA-N 0 3 258.365 3.039 20 30 CGEDHN C[C@@H]1C[C@H](NCC2(C#N)CCC2)CN(Cc2ccccc2)C1 ZINC000418141765 267363371 /nfs/dbraw/zinc/36/33/71/267363371.db2.gz LSPKQQIDJPNLKK-AEFFLSMTSA-N 0 3 297.446 3.180 20 30 CGEDHN C=CCOc1cccc(CN2CCC(c3c[nH]cn3)CC2)c1 ZINC000371334625 267392522 /nfs/dbraw/zinc/39/25/22/267392522.db2.gz HDGORDLOXCEEHD-UHFFFAOYSA-N 0 3 297.402 3.354 20 30 CGEDHN Cc1cccc2c1OC[C@@H](NCc1ccc(C#N)c(F)c1)C2 ZINC000421356304 268059862 /nfs/dbraw/zinc/05/98/62/268059862.db2.gz KZXOWJUPSMNAIM-INIZCTEOSA-N 0 3 296.345 3.099 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCN2C2CCCCC2)s1 ZINC000527750767 268233972 /nfs/dbraw/zinc/23/39/72/268233972.db2.gz FMQHJRWOOZTTHO-AWEZNQCLSA-N 0 3 289.448 3.116 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000271864690 274518005 /nfs/dbraw/zinc/51/80/05/274518005.db2.gz LDHJJUYJKIORGM-ZJNRKIDTSA-N 0 3 298.361 3.470 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3ccccc3n2)C1 ZINC000336252564 274916703 /nfs/dbraw/zinc/91/67/03/274916703.db2.gz UEJLFWZIXIBRMP-UKRRQHHQSA-N 0 3 265.360 3.407 20 30 CGEDHN C#CCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175863230 275382439 /nfs/dbraw/zinc/38/24/39/275382439.db2.gz KFTOPNHXEWJVFD-KGLIPLIRSA-N 0 3 263.406 3.049 20 30 CGEDHN CN(C)[C@H](CNc1ccc(F)cc1C#N)c1cccs1 ZINC000301212477 276866835 /nfs/dbraw/zinc/86/68/35/276866835.db2.gz WHXOCALMNAKZSX-CQSZACIVSA-N 0 3 289.379 3.474 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)C1CC(C)(C)C1 ZINC000395454604 288009532 /nfs/dbraw/zinc/00/95/32/288009532.db2.gz BTMKRACYKQYGPE-UHFFFAOYSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245597794 278306289 /nfs/dbraw/zinc/30/62/89/278306289.db2.gz LVRZUHLPYWLYQA-RKVPGOIHSA-N 0 3 294.402 3.399 20 30 CGEDHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 ZINC000348334255 279061948 /nfs/dbraw/zinc/06/19/48/279061948.db2.gz OROXTPUSISGOLR-NGOBNIPXSA-N 0 3 274.339 3.320 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(OC3CCCC3)CC2)C1 ZINC000336128807 279489932 /nfs/dbraw/zinc/48/99/32/279489932.db2.gz YQYYZPRZPOWWOF-KBPBESRZSA-N 0 3 262.397 3.102 20 30 CGEDHN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1cccc(C#N)c1 ZINC000334375459 279540073 /nfs/dbraw/zinc/54/00/73/279540073.db2.gz DIAHJWYHQYZHLM-LRDDRELGSA-N 0 3 280.375 3.020 20 30 CGEDHN CC(C)COC[C@@H](NCCCCC#N)c1ccco1 ZINC000184170564 327824555 /nfs/dbraw/zinc/82/45/55/327824555.db2.gz BKIXAHJCSANPBB-CQSZACIVSA-N 0 3 264.369 3.277 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000185767661 327844887 /nfs/dbraw/zinc/84/48/87/327844887.db2.gz QLJAPRSOIYEMFO-GLQYFDAESA-N 0 3 278.783 3.045 20 30 CGEDHN C[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1 ZINC000266948827 328170745 /nfs/dbraw/zinc/17/07/45/328170745.db2.gz SPCJDPBGXLRHHX-HNNXBMFYSA-N 0 3 299.418 3.054 20 30 CGEDHN CCOc1ccccc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000274636365 328212153 /nfs/dbraw/zinc/21/21/53/328212153.db2.gz PZTFTWAQCFDEJO-BFHYXJOUSA-N 0 3 258.365 3.428 20 30 CGEDHN CC(C)(C#N)CCCCN[C@H](CO)c1ccc(F)cc1 ZINC000278622888 328228703 /nfs/dbraw/zinc/22/87/03/328228703.db2.gz FYFXZGWJZYJURE-OAHLLOKOSA-N 0 3 278.371 3.169 20 30 CGEDHN Cc1ccc([C@H]2CCCCCN2CCOCCC#N)o1 ZINC000292947112 328274110 /nfs/dbraw/zinc/27/41/10/328274110.db2.gz BUZHNXRPJHIHTI-OAHLLOKOSA-N 0 3 276.380 3.435 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(F)cc2F)c(F)c1 ZINC000563868690 322013583 /nfs/dbraw/zinc/01/35/83/322013583.db2.gz UENUJHYDJCONJQ-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN CCC[C@@H](C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564088809 322020099 /nfs/dbraw/zinc/02/00/99/322020099.db2.gz CFQRQLWDXKLOOU-LLVKDONJSA-N 0 3 261.325 3.087 20 30 CGEDHN CCC[C@H]1[C@@H](C)CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564211501 322023300 /nfs/dbraw/zinc/02/33/00/322023300.db2.gz KWKBRNGTWBKWOJ-BBRMVZONSA-N 0 3 297.406 3.002 20 30 CGEDHN CCC[C@H](C)[C@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000566414119 322121039 /nfs/dbraw/zinc/12/10/39/322121039.db2.gz MGOYRYCKKOMFOH-XJKSGUPXSA-N 0 3 257.381 3.354 20 30 CGEDHN CCCN(C(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000567246707 322155748 /nfs/dbraw/zinc/15/57/48/322155748.db2.gz SGAPDHWKKUAUKF-QGZVFWFLSA-N 0 3 299.418 3.174 20 30 CGEDHN C[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000569344620 322244040 /nfs/dbraw/zinc/24/40/40/322244040.db2.gz TXETZIGGRZAFHD-XUJVJEKNSA-N 0 3 287.363 3.381 20 30 CGEDHN C[C@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)CN1C1CC1 ZINC000569635159 322252756 /nfs/dbraw/zinc/25/27/56/322252756.db2.gz QOYIWFNROGJBPJ-GXFFZTMASA-N 0 3 275.783 3.249 20 30 CGEDHN C[C@@H](N[C@@H]1COc2cc(F)ccc2C1)c1cccc(C#N)c1 ZINC000572856968 322358495 /nfs/dbraw/zinc/35/84/95/322358495.db2.gz JPTDCTAXWMSYNY-PXAZEXFGSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCC[C@H](C)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000575321804 335093500 /nfs/dbraw/zinc/09/35/00/335093500.db2.gz JWCRDIMPNNULBO-ZOWXZIJZSA-N 0 3 251.345 3.192 20 30 CGEDHN C=CCCCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000394142020 326856123 /nfs/dbraw/zinc/85/61/23/326856123.db2.gz WEGUFORRAXODTA-UHFFFAOYSA-N 0 3 265.319 3.122 20 30 CGEDHN C=CCCCC[C@H](C)NCc1c(CC)nn(C)c1OC ZINC000557885816 327033947 /nfs/dbraw/zinc/03/39/47/327033947.db2.gz BXZVSRRERWWCMG-ZDUSSCGKSA-N 0 3 279.428 3.216 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@@]3(C2)CCc2ccccc2O3)C1 ZINC000559247789 327150267 /nfs/dbraw/zinc/15/02/67/327150267.db2.gz IMVYCKNUMKSHFP-UWWQBHOKSA-N 0 3 282.387 3.148 20 30 CGEDHN C=CCCCCCN(C)Cc1ccc(C(=O)OC)o1 ZINC000150894739 327209017 /nfs/dbraw/zinc/20/90/17/327209017.db2.gz UAMOWEDTGHMVLI-UHFFFAOYSA-N 0 3 265.353 3.244 20 30 CGEDHN C=CCOc1ccccc1CNCCCc1c[nH]nc1C ZINC000047889067 327225344 /nfs/dbraw/zinc/22/53/44/327225344.db2.gz XVFJJOLPNNBFLG-UHFFFAOYSA-N 0 3 285.391 3.005 20 30 CGEDHN CC#CCN(C)[C@H](C)c1ccc(Br)cc1 ZINC000559458942 327246333 /nfs/dbraw/zinc/24/63/33/327246333.db2.gz QFYLVLYZJVUPRF-LLVKDONJSA-N 0 3 266.182 3.465 20 30 CGEDHN Cc1n[nH]cc1C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000560181557 327288744 /nfs/dbraw/zinc/28/87/44/327288744.db2.gz CPKQPRNXYYTBSN-UHFFFAOYSA-N 0 3 294.402 3.164 20 30 CGEDHN Cc1ccc(C[C@H](C)NC[C@@H](C#N)CCC#N)c(C)c1 ZINC000574151499 327293865 /nfs/dbraw/zinc/29/38/65/327293865.db2.gz NPZUBDMZSKYVGV-JKSUJKDBSA-N 0 3 269.392 3.268 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000565018819 327389521 /nfs/dbraw/zinc/38/95/21/327389521.db2.gz LOIMCOZIWLOFRR-ARFHVFGLSA-N 0 3 288.366 3.156 20 30 CGEDHN C#CCN(Cc1cccc(NC(C)=O)c1)C1CCCC1 ZINC000155854143 327398119 /nfs/dbraw/zinc/39/81/19/327398119.db2.gz ALLBKTFTTGGZDC-UHFFFAOYSA-N 0 3 270.376 3.023 20 30 CGEDHN C=CCSCCN[C@H](CCC)c1ccccn1 ZINC000180455488 329217244 /nfs/dbraw/zinc/21/72/44/329217244.db2.gz UWADJCNTBMVQCT-CYBMUJFWSA-N 0 3 250.411 3.432 20 30 CGEDHN C=C(C)CN(C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000181311129 329230741 /nfs/dbraw/zinc/23/07/41/329230741.db2.gz PNKLISVPHMLDJD-UHFFFAOYSA-N 0 3 267.756 3.119 20 30 CGEDHN C=CCC[C@H](CO)NCc1cc(Cl)cc(Cl)c1 ZINC000321071765 329250440 /nfs/dbraw/zinc/25/04/40/329250440.db2.gz AFNGWTIMIYHVGS-CYBMUJFWSA-N 0 3 274.191 3.410 20 30 CGEDHN C[C@@H](NCCCC(C)(C)C#N)c1cn(-c2ccccc2)nn1 ZINC000185455395 329273747 /nfs/dbraw/zinc/27/37/47/329273747.db2.gz LBGVDYWDGFJVEC-CQSZACIVSA-N 0 3 297.406 3.248 20 30 CGEDHN CCN(CC)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000185778639 329331594 /nfs/dbraw/zinc/33/15/94/329331594.db2.gz ZGTFRICKDWVBKV-GOEBONIOSA-N 0 3 286.423 3.100 20 30 CGEDHN Cc1c(CN2CCC(CC#N)CC2)cccc1[N+](=O)[O-] ZINC000397277462 329347531 /nfs/dbraw/zinc/34/75/31/329347531.db2.gz LTZPUHZJBNOYOG-UHFFFAOYSA-N 0 3 273.336 3.029 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OC(C)C)C2)c1 ZINC000583204533 329364294 /nfs/dbraw/zinc/36/42/94/329364294.db2.gz XNKDUKZPUSWUQT-QGZVFWFLSA-N 0 3 275.392 3.251 20 30 CGEDHN COc1cc([C@H](C)NCC(C)(C)CC#N)ccc1F ZINC000459731395 329374395 /nfs/dbraw/zinc/37/43/95/329374395.db2.gz NNWVXVKERQMYAS-NSHDSACASA-N 0 3 264.344 3.425 20 30 CGEDHN N#CCc1ccc(CN2CCC(OC3CCC3)CC2)cc1 ZINC000419294782 329715206 /nfs/dbraw/zinc/71/52/06/329715206.db2.gz BOLSXUVMPYVJSA-UHFFFAOYSA-N 0 3 284.403 3.286 20 30 CGEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000191295441 330137449 /nfs/dbraw/zinc/13/74/49/330137449.db2.gz TXQNAGSAFMEHRN-SGTLLEGYSA-N 0 3 297.377 3.449 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527576233 330264085 /nfs/dbraw/zinc/26/40/85/330264085.db2.gz AYXTWYKIQIHHIB-UHFFFAOYSA-N 0 3 290.407 3.057 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000527974918 330301860 /nfs/dbraw/zinc/30/18/60/330301860.db2.gz VPBRBTYJRQECRE-XQQFMLRXSA-N 0 3 274.364 3.047 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCC[C@H](CC(C)C)C2)nn1 ZINC000424176019 330316174 /nfs/dbraw/zinc/31/61/74/330316174.db2.gz WOFYMXOEJLCDLP-CABCVRRESA-N 0 3 276.428 3.159 20 30 CGEDHN COc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1OC(C)C ZINC000424187670 330321033 /nfs/dbraw/zinc/32/10/33/330321033.db2.gz BBPOVAUPKVNTNQ-DZGCQCFKSA-N 0 3 288.391 3.264 20 30 CGEDHN N#C[C@H]1CC[C@@H](NC/C=C/c2ccc(F)c(F)c2)C1 ZINC000424207252 330327843 /nfs/dbraw/zinc/32/78/43/330327843.db2.gz XOHUXXPMGUOSRD-RPNDHJKISA-N 0 3 262.303 3.260 20 30 CGEDHN C=CCn1cc(CN[C@@H](CCC)C2CCCCC2)nn1 ZINC000424294674 330335776 /nfs/dbraw/zinc/33/57/76/330335776.db2.gz LIFLDIVREMMUNX-INIZCTEOSA-N 0 3 276.428 3.303 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000424570235 330380709 /nfs/dbraw/zinc/38/07/09/330380709.db2.gz VNFXNCMNBHKSRF-UHFFFAOYSA-N 0 3 288.435 3.227 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000090451141 330392537 /nfs/dbraw/zinc/39/25/37/330392537.db2.gz KVSKWKAIJMRJPN-HNNXBMFYSA-N 0 3 291.391 3.091 20 30 CGEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc(OC)cc1 ZINC000430746354 330572602 /nfs/dbraw/zinc/57/26/02/330572602.db2.gz PWHOYXGKCHMDDJ-OAHLLOKOSA-N 0 3 258.365 3.430 20 30 CGEDHN N#CCC1(CN[C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000430751443 330573059 /nfs/dbraw/zinc/57/30/59/330573059.db2.gz WLRXBIHWUKOXOV-QGZVFWFLSA-N 0 3 292.386 3.044 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1 ZINC000442793391 330783944 /nfs/dbraw/zinc/78/39/44/330783944.db2.gz RRZCYLDYMWAZNA-ISWURRPUSA-N 0 3 288.366 3.328 20 30 CGEDHN CC(C)c1ccccc1OCCN[C@@H]1CC[C@@H](C#N)C1 ZINC000442870510 330788944 /nfs/dbraw/zinc/78/89/44/330788944.db2.gz DFZVZVWZOBGJBJ-HUUCEWRRSA-N 0 3 272.392 3.471 20 30 CGEDHN CC(C)(C#N)CCCCN[C@H](CO)c1cccc(F)c1 ZINC000444691378 330819911 /nfs/dbraw/zinc/81/99/11/330819911.db2.gz YILFAEVDJSICDF-OAHLLOKOSA-N 0 3 278.371 3.169 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000449248970 330909733 /nfs/dbraw/zinc/90/97/33/330909733.db2.gz KGWTVXACGNOTAL-IUODEOHRSA-N 0 3 278.371 3.077 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C)c(Cl)c1 ZINC000449519774 330933281 /nfs/dbraw/zinc/93/32/81/330933281.db2.gz NFIOBMQHUAQPJM-KGLIPLIRSA-N 0 3 251.757 3.082 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000449699108 330944628 /nfs/dbraw/zinc/94/46/28/330944628.db2.gz PTTZFILIULAMBF-AWEZNQCLSA-N 0 3 287.359 3.489 20 30 CGEDHN N#CCCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544018 331033580 /nfs/dbraw/zinc/03/35/80/331033580.db2.gz CZYHZRUUCBQJBR-CQSZACIVSA-N 0 3 273.336 3.078 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(F)cc1F ZINC000451603711 331036078 /nfs/dbraw/zinc/03/60/78/331036078.db2.gz DQUQVDZNFHJZIP-ZNMIVQPWSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NC[C@H](OC(C)C)c1ccccc1 ZINC000451608116 331036545 /nfs/dbraw/zinc/03/65/45/331036545.db2.gz AEHZQQAHUWEFRB-IKGGRYGDSA-N 0 3 275.392 3.086 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@@]2(CCSC2)C1 ZINC000451986527 331049450 /nfs/dbraw/zinc/04/94/50/331049450.db2.gz XXUNNAPVYFGJGP-QGZVFWFLSA-N 0 3 271.429 3.257 20 30 CGEDHN C=CCNc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453143055 331093698 /nfs/dbraw/zinc/09/36/98/331093698.db2.gz IPKUONAQTIQWQA-UHFFFAOYSA-N 0 3 280.799 3.411 20 30 CGEDHN C=CC1CCN(Cc2ccc(O)c(OCC)c2)CC1 ZINC000459340216 331276895 /nfs/dbraw/zinc/27/68/95/331276895.db2.gz FFKIVFBCUCLQMX-UHFFFAOYSA-N 0 3 261.365 3.189 20 30 CGEDHN C=C[C@H](C)NCc1c(C)nc2scc(C3CC3)n12 ZINC000459451023 331281833 /nfs/dbraw/zinc/28/18/33/331281833.db2.gz VARVBBQHSHZFOO-VIFPVBQESA-N 0 3 261.394 3.246 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462782281 331328747 /nfs/dbraw/zinc/32/87/47/331328747.db2.gz BPOIRAGMNIGUCQ-GFCCVEGCSA-N 0 3 261.365 3.306 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1cc(C)ccc1C ZINC000489489994 332056117 /nfs/dbraw/zinc/05/61/17/332056117.db2.gz BWOXKALOORQCOZ-SJORKVTESA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000489492181 332056500 /nfs/dbraw/zinc/05/65/00/332056500.db2.gz CZFKKAUMDCDVFV-LSDHHAIUSA-N 0 3 295.810 3.120 20 30 CGEDHN CC(C)(CCC#N)CNC(=O)C(C#N)CCc1ccccc1 ZINC000489878386 332071243 /nfs/dbraw/zinc/07/12/43/332071243.db2.gz IRMPWMISSPMCHG-INIZCTEOSA-N 0 3 297.402 3.205 20 30 CGEDHN C#C[C@H](N[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(F)cc1 ZINC000491229886 332170185 /nfs/dbraw/zinc/17/01/85/332170185.db2.gz JSMYCJRJZWKWRN-IXDOHACOSA-N 0 3 275.367 3.293 20 30 CGEDHN C#C[C@@H](NC(=N)Nc1ccccn1)c1ccc(Cl)cc1 ZINC000491526180 332230617 /nfs/dbraw/zinc/23/06/17/332230617.db2.gz XWKBEPJDZJGUDF-CYBMUJFWSA-N 0 3 284.750 3.046 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CC(C)C)C(C)C)CC1 ZINC000172655465 335115604 /nfs/dbraw/zinc/11/56/04/335115604.db2.gz ZZEKQYDPAILXRJ-UHFFFAOYSA-N 0 3 295.471 3.103 20 30 CGEDHN C=CCN(CCOC)C/C(C)=C/c1ccccc1COC ZINC000513192520 333007709 /nfs/dbraw/zinc/00/77/09/333007709.db2.gz LTKWKBIOXKVYLM-DTQAZKPQSA-N 0 3 289.419 3.371 20 30 CGEDHN CSc1ccc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000309898963 333050987 /nfs/dbraw/zinc/05/09/87/333050987.db2.gz GWSBYZRZGNXKNP-VHSXEESVSA-N 0 3 252.408 3.252 20 30 CGEDHN C=CCSCCNCc1cccc2c1OC(C)(C)C2 ZINC000217800260 333123830 /nfs/dbraw/zinc/12/38/30/333123830.db2.gz WCYLJZNKBBRTLU-UHFFFAOYSA-N 0 3 277.433 3.409 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2ccc(OC)cc21 ZINC000222450926 333193726 /nfs/dbraw/zinc/19/37/26/333193726.db2.gz LUELGZGSVIFNPW-KRWDZBQOSA-N 0 3 275.392 3.255 20 30 CGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccccc1 ZINC000192076792 333229136 /nfs/dbraw/zinc/22/91/36/333229136.db2.gz LHPNYKWQOJDSRW-INIZCTEOSA-N 0 3 279.383 3.307 20 30 CGEDHN C=C(C)COCCNCc1cnc(-c2ccco2)s1 ZINC000193152702 333243416 /nfs/dbraw/zinc/24/34/16/333243416.db2.gz BZXVJHLDDYFIJE-UHFFFAOYSA-N 0 3 278.377 3.085 20 30 CGEDHN C=CCCCCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000193326939 333248081 /nfs/dbraw/zinc/24/80/81/333248081.db2.gz VBEKGYGQUCDREG-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2cccc3c2CCC3)n1 ZINC000193595030 333253817 /nfs/dbraw/zinc/25/38/17/333253817.db2.gz YHLWNDCWEOURSQ-AWEZNQCLSA-N 0 3 282.368 3.430 20 30 CGEDHN CCC(C#N)(CC)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000528911279 333464113 /nfs/dbraw/zinc/46/41/13/333464113.db2.gz ZIEOUDQSYDEYDL-UHFFFAOYSA-N 0 3 287.407 3.325 20 30 CGEDHN C=C(CC)CN[C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000538015603 333571121 /nfs/dbraw/zinc/57/11/21/333571121.db2.gz ONBUKQKEOKUYQY-DZGCQCFKSA-N 0 3 261.365 3.093 20 30 CGEDHN C=C(C)COCCNCc1cccc2c1OC(C)(C)C2 ZINC000125766715 333572773 /nfs/dbraw/zinc/57/27/73/333572773.db2.gz VFAJBVCAMZXCPD-UHFFFAOYSA-N 0 3 275.392 3.082 20 30 CGEDHN N#CCC1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000541022129 333759530 /nfs/dbraw/zinc/75/95/30/333759530.db2.gz YHUDBRPEALTBNG-UHFFFAOYSA-N 0 3 278.783 3.344 20 30 CGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000549469094 334194884 /nfs/dbraw/zinc/19/48/84/334194884.db2.gz REAXBRNWRSKTSM-KKUMJFAQSA-N 0 3 292.423 3.122 20 30 CGEDHN N#CCCOCCN1CCC(c2cccc(F)c2F)CC1 ZINC000549939025 334210004 /nfs/dbraw/zinc/21/00/04/334210004.db2.gz RTQFUFNNTUIJAB-UHFFFAOYSA-N 0 3 294.345 3.074 20 30 CGEDHN CCCC[C@H](C)N(CCCC)CC(=O)NC1(C#N)CCC1 ZINC000550371773 334221228 /nfs/dbraw/zinc/22/12/28/334221228.db2.gz JSRMNYZQALDVFK-HNNXBMFYSA-N 0 3 293.455 3.230 20 30 CGEDHN CCS[C@@H]1CCCC[C@H]1NC[C@@H](C#N)CCC#N ZINC000249256803 334330446 /nfs/dbraw/zinc/33/04/46/334330446.db2.gz HNVIVQVKBRMNLB-MGPQQGTHSA-N 0 3 265.426 3.084 20 30 CGEDHN COC[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000090180652 334358368 /nfs/dbraw/zinc/35/83/68/334358368.db2.gz XYTODOOLEIBLNO-HNNXBMFYSA-N 0 3 299.336 3.318 20 30 CGEDHN C=CCCCN(C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000091579613 334381007 /nfs/dbraw/zinc/38/10/07/334381007.db2.gz OBUQXYVUFYXHBM-LBPRGKRZSA-N 0 3 265.353 3.334 20 30 CGEDHN CC1(C#N)CCC(NC2(C(=O)Nc3ccccc3)CC2)CC1 ZINC000565757586 334594216 /nfs/dbraw/zinc/59/42/16/334594216.db2.gz HTDWMRJQSFHTQF-UHFFFAOYSA-N 0 3 297.402 3.220 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)cs2)C12CCC2 ZINC000177705981 335380184 /nfs/dbraw/zinc/38/01/84/335380184.db2.gz KCBIZPXSGBNFRA-KGLIPLIRSA-N 0 3 276.405 3.057 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000179797345 335519717 /nfs/dbraw/zinc/51/97/17/335519717.db2.gz FKMQOAQSPDDZAK-AWEZNQCLSA-N 0 3 274.408 3.223 20 30 CGEDHN C=CCC[C@@H](NCC(=O)NCC(C)C)c1ccccc1 ZINC000180043039 335544415 /nfs/dbraw/zinc/54/44/15/335544415.db2.gz NMSZSWUNOMZGJC-MRXNPFEDSA-N 0 3 274.408 3.056 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)C(C)(C)C ZINC000581847434 336151223 /nfs/dbraw/zinc/15/12/23/336151223.db2.gz JLPTVXTZEZBVFC-MRXNPFEDSA-N 0 3 261.409 3.472 20 30 CGEDHN C=CCCCCCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000581953209 336178563 /nfs/dbraw/zinc/17/85/63/336178563.db2.gz IJXVCYRSPVKRNX-GOEBONIOSA-N 0 3 274.408 3.185 20 30 CGEDHN C[C@H]1CC[C@](CO)(N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439450780 533770154 /nfs/dbraw/zinc/77/01/54/533770154.db2.gz WYGIJUAUAYFHAW-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@H](Nc1ncccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000439129098 534033556 /nfs/dbraw/zinc/03/35/56/534033556.db2.gz PUIMBCSZORLYLY-XJKSGUPXSA-N 0 3 280.375 3.057 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCC(F)(F)F ZINC000425531498 534078371 /nfs/dbraw/zinc/07/83/71/534078371.db2.gz HOCPVXNWUNOKSU-NSHDSACASA-N 0 3 286.297 3.130 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H](c2ccccc2)N(C)C)CCC1 ZINC000190494290 534587418 /nfs/dbraw/zinc/58/74/18/534587418.db2.gz NOWVFAJKFOLVFU-INIZCTEOSA-N 0 3 286.419 3.152 20 30 CGEDHN Cc1cccc(C)c1NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000330211013 534673006 /nfs/dbraw/zinc/67/30/06/534673006.db2.gz CSRGPTNJNKPWHH-YOEHRIQHSA-N 0 3 288.391 3.049 20 30 CGEDHN Cc1cccc(CN(CC(C)C)C(=O)C(C)C#N)c1 ZINC000347164725 534704014 /nfs/dbraw/zinc/70/40/14/534704014.db2.gz RPLWWAGTLFNFHM-AWEZNQCLSA-N 0 3 258.365 3.139 20 30 CGEDHN C=CCOCCCN(C)Cc1ccc(Cl)cc1 ZINC000347969385 526747336 /nfs/dbraw/zinc/74/73/36/526747336.db2.gz LGJJFJVOWYBIMY-UHFFFAOYSA-N 0 3 253.773 3.365 20 30 CGEDHN C=CCOCCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000347966267 526749116 /nfs/dbraw/zinc/74/91/16/526749116.db2.gz MGLQSMJACGOWSP-UHFFFAOYSA-N 0 3 270.376 3.115 20 30 CGEDHN C=CCOc1ccc(CN2CCC(C)(OC)CC2)cc1 ZINC000354737495 526866038 /nfs/dbraw/zinc/86/60/38/526866038.db2.gz KEDPZRGCGKEYLB-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000353880653 526889967 /nfs/dbraw/zinc/88/99/67/526889967.db2.gz JVQABWXEHJQOJI-LSDHHAIUSA-N 0 3 256.349 3.033 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@@H]1SC ZINC000344958864 526950584 /nfs/dbraw/zinc/95/05/84/526950584.db2.gz VZMUYBHXVWDNTD-HIFRSBDPSA-N 0 3 263.406 3.235 20 30 CGEDHN CC(C)(CCC#N)CN1CCC(Oc2ccccn2)CC1 ZINC000350556084 526983338 /nfs/dbraw/zinc/98/33/38/526983338.db2.gz JBDGXERGSWJMQJ-UHFFFAOYSA-N 0 3 287.407 3.255 20 30 CGEDHN C=CCN(CC=C)C(=O)CN([C@H](C)[C@H](C)CC)C1CC1 ZINC000355799351 527608581 /nfs/dbraw/zinc/60/85/81/527608581.db2.gz PPKNWBSFMMVOOI-HUUCEWRRSA-N 0 3 278.440 3.086 20 30 CGEDHN CC(C)N1CCCC[C@@H]1CSc1ccc(C#N)cn1 ZINC000412989158 529005426 /nfs/dbraw/zinc/00/54/26/529005426.db2.gz MQKDKGHOQVMLON-CQSZACIVSA-N 0 3 275.421 3.308 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000354648929 529301241 /nfs/dbraw/zinc/30/12/41/529301241.db2.gz NNGRNNGBZYXIEA-VNHYZAJKSA-N 0 3 290.407 3.478 20 30 CGEDHN CC[C@@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437138561 529345195 /nfs/dbraw/zinc/34/51/95/529345195.db2.gz XOYJGTYPLQDVCE-SNVBAGLBSA-N 0 3 268.307 3.390 20 30 CGEDHN CC[C@@H]1CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000727823741 571771156 /nfs/dbraw/zinc/77/11/56/571771156.db2.gz CEBFVWKJGLWHNF-MRXNPFEDSA-N 0 3 280.375 3.254 20 30 CGEDHN C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](C)C2)c1[O-] ZINC000725778720 572399858 /nfs/dbraw/zinc/39/98/58/572399858.db2.gz OLLPVRMUSNBLAC-ZDUSSCGKSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C)C2)c1[O-] ZINC000725778720 572399861 /nfs/dbraw/zinc/39/98/61/572399861.db2.gz OLLPVRMUSNBLAC-ZDUSSCGKSA-N 0 3 275.392 3.361 20 30 CGEDHN COc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1O ZINC000743496930 572400912 /nfs/dbraw/zinc/40/09/12/572400912.db2.gz UNFBTISXOQZMBP-GFCCVEGCSA-N 0 3 282.343 3.123 20 30 CGEDHN CN(CCOc1ccccc1C#N)CCc1ccccc1F ZINC000731671895 572420706 /nfs/dbraw/zinc/42/07/06/572420706.db2.gz ZPZFJUZXKZVYIW-UHFFFAOYSA-N 0 3 298.361 3.251 20 30 CGEDHN C#CCSCCNCc1ccccc1N1CCCCC1 ZINC000740014990 572428687 /nfs/dbraw/zinc/42/86/87/572428687.db2.gz QPVYURRGYAXIAI-UHFFFAOYSA-N 0 3 288.460 3.133 20 30 CGEDHN CCCCCCCCN1CCC[C@H]1C(=O)NC1CC1 ZINC000740874648 572463548 /nfs/dbraw/zinc/46/35/48/572463548.db2.gz YBRSDWCZGQWVPW-HNNXBMFYSA-N 0 3 266.429 3.090 20 30 CGEDHN CCCCCCCN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000740877415 572465030 /nfs/dbraw/zinc/46/50/30/572465030.db2.gz MKBFVADKAONZSE-LBPRGKRZSA-N 0 3 294.361 3.052 20 30 CGEDHN CCCCCCCCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000741722888 572520478 /nfs/dbraw/zinc/52/04/78/572520478.db2.gz TYRRQOQVRUOVPM-GJZGRUSLSA-N 0 3 268.445 3.336 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CC[C@@H](C)OC)c([O-])c1 ZINC000726429778 572576375 /nfs/dbraw/zinc/57/63/75/572576375.db2.gz RCCGMDZHGUIURX-KAECEXQPSA-N 0 3 278.396 3.082 20 30 CGEDHN CCC[NH+]1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000743333873 572647522 /nfs/dbraw/zinc/64/75/22/572647522.db2.gz BVOPFXKLWALCOK-BOPFTXTBSA-N 0 3 280.799 3.339 20 30 CGEDHN CCCCCCCCC(=O)NCCN1CCC[C@H]1C ZINC000744345918 572745476 /nfs/dbraw/zinc/74/54/76/572745476.db2.gz UMAPIJJYTVFFBY-OAHLLOKOSA-N 0 3 268.445 3.338 20 30 CGEDHN CC(=NNc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000748134175 572962112 /nfs/dbraw/zinc/96/21/12/572962112.db2.gz NHSMPQKEMJSSFP-UHFFFAOYSA-N 0 3 297.402 3.463 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC=CCCC2)C1 ZINC000969953940 613298902 /nfs/dbraw/zinc/29/89/02/613298902.db2.gz OHKGAUOIKTZKTG-CVEARBPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972846468 613337434 /nfs/dbraw/zinc/33/74/34/613337434.db2.gz QJWFRCDLFLYUTN-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974868294 613337676 /nfs/dbraw/zinc/33/76/76/613337676.db2.gz JASWMCDBAJSEDV-OAHLLOKOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C1CCC(C(=O)N[C@@H](C)C2CN(CC=C(C)C)C2)CC1 ZINC000970365668 613409580 /nfs/dbraw/zinc/40/95/80/613409580.db2.gz DRBOTKYHVFRCGX-HNNXBMFYSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC000972471220 613616913 /nfs/dbraw/zinc/61/69/13/613616913.db2.gz CJVOAZSOVDGNQO-IAGOWNOFSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC000972315625 613622292 /nfs/dbraw/zinc/62/22/92/613622292.db2.gz DGBYTANWRQUJEQ-OAHLLOKOSA-N 0 3 298.430 3.070 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC000972732201 613628085 /nfs/dbraw/zinc/62/80/85/613628085.db2.gz ISXUBKATXHJBQP-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000941046707 613746268 /nfs/dbraw/zinc/74/62/68/613746268.db2.gz JUPSVHSKTXDWNH-BZUAXINKSA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000940664931 613779767 /nfs/dbraw/zinc/77/97/67/613779767.db2.gz PIVZYAQKCMXIAE-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)C[C@H]1C ZINC000948013227 613787312 /nfs/dbraw/zinc/78/73/12/613787312.db2.gz UMZZVAODCVKCQY-OCCSQVGLSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000947956331 613790856 /nfs/dbraw/zinc/79/08/56/613790856.db2.gz BRLGXFDMWSRGLN-WFASDCNBSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000962813241 613842355 /nfs/dbraw/zinc/84/23/55/613842355.db2.gz OMCQEZXNGSDWGF-VIBAHUMZSA-N 0 3 298.430 3.046 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2C)C1 ZINC001021118196 617899830 /nfs/dbraw/zinc/89/98/30/617899830.db2.gz HFDWCECXACRUKU-MXAVVETBSA-N 0 3 298.858 3.192 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(CC)cc2)CCC1 ZINC000933301453 618196795 /nfs/dbraw/zinc/19/67/95/618196795.db2.gz GMINQCNGWWZVAO-CQSZACIVSA-N 0 3 284.403 3.112 20 30 CGEDHN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CC[C@@H](CC#N)C1 ZINC000926514023 618718519 /nfs/dbraw/zinc/71/85/19/618718519.db2.gz YLBPVYJADZHVAM-RWMBFGLXSA-N 0 3 259.353 3.032 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1cc2ccccc2c(OC)c1 ZINC000926728445 618845647 /nfs/dbraw/zinc/84/56/47/618845647.db2.gz UOOBPQDXOCSPPT-SWLSCSKDSA-N 0 3 271.360 3.046 20 30 CGEDHN CCCSC[C@H](C)NCc1ccc(C#N)cc1F ZINC000892912615 618952168 /nfs/dbraw/zinc/95/21/68/618952168.db2.gz WIPFALVOPRPWBM-NSHDSACASA-N 0 3 266.385 3.319 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931920640 619275282 /nfs/dbraw/zinc/27/52/82/619275282.db2.gz ZTHJVNGKJDWBCO-WDEREUQCSA-N 0 3 263.278 3.155 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)cs1 ZINC000894485017 619551173 /nfs/dbraw/zinc/55/11/73/619551173.db2.gz JQLLLCFGNOXTIO-ZIAGYGMSSA-N 0 3 290.432 3.258 20 30 CGEDHN C[C@@]1(CNCC#Cc2ccccc2)CC1(Cl)Cl ZINC000894715148 619610519 /nfs/dbraw/zinc/61/05/19/619610519.db2.gz PTGUOMLNUVLQDI-ZDUSSCGKSA-N 0 3 268.187 3.212 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(C(=O)OC)s1 ZINC000895225741 619786775 /nfs/dbraw/zinc/78/67/75/619786775.db2.gz RNVMNRKETBOXCG-NEPJUHHUSA-N 0 3 294.420 3.154 20 30 CGEDHN C#CC1(O)CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000895380631 619817472 /nfs/dbraw/zinc/81/74/72/619817472.db2.gz TYLRPDXSOMUIOT-UHFFFAOYSA-N 0 3 299.345 3.046 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(OC)c(OC)c2F)C1 ZINC000895390123 619819762 /nfs/dbraw/zinc/81/97/62/619819762.db2.gz RRUBAMUEQFRMJX-GFCCVEGCSA-N 0 3 279.355 3.241 20 30 CGEDHN C=CCCCC[C@H](C)NCc1cnc(Br)cn1 ZINC000895407204 619822027 /nfs/dbraw/zinc/82/20/27/619822027.db2.gz NQOZLTZUCRNEII-NSHDSACASA-N 0 3 298.228 3.464 20 30 CGEDHN C#C[C@H](NCc1ccc(C(F)F)c(F)c1)C1CCOCC1 ZINC000895436826 619828824 /nfs/dbraw/zinc/82/88/24/619828824.db2.gz URIXJMTVHRXSMQ-HNNXBMFYSA-N 0 3 297.320 3.281 20 30 CGEDHN Cc1coc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000895450790 619832022 /nfs/dbraw/zinc/83/20/22/619832022.db2.gz COXYQDKCDJZASA-UHFFFAOYSA-N 0 3 254.333 3.134 20 30 CGEDHN CC1(C)C[C@]1(C)CNCc1cc(C#N)cnc1Cl ZINC000895533808 619843043 /nfs/dbraw/zinc/84/30/43/619843043.db2.gz DFSQFULEAFVDKE-CQSZACIVSA-N 0 3 263.772 3.132 20 30 CGEDHN C[C@H](CCC#N)CN1CCN([C@@H](C)c2ccccc2)CC1 ZINC000895551275 619848335 /nfs/dbraw/zinc/84/83/35/619848335.db2.gz HRZGWCDQXUHJKK-SJORKVTESA-N 0 3 285.435 3.305 20 30 CGEDHN C=CCC1(O)CCN(C/C=C\c2cccc(F)c2)CC1 ZINC000895827881 619889820 /nfs/dbraw/zinc/88/98/20/619889820.db2.gz QMMWFUQOTYFGML-XQRVVYSFSA-N 0 3 275.367 3.242 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2[C@H](c3ccccc3)C2(F)F)n1 ZINC000896887189 620086756 /nfs/dbraw/zinc/08/67/56/620086756.db2.gz HYNQOZJMVNSUCQ-HOTGVXAUSA-N 0 3 299.324 3.092 20 30 CGEDHN CCS[C@@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000067600446 620349552 /nfs/dbraw/zinc/34/95/52/620349552.db2.gz HPCHCKYYHDRZNW-CMPLNLGQSA-N 0 3 282.434 3.406 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)c1ccc(Cl)cc1 ZINC000785998848 620393246 /nfs/dbraw/zinc/39/32/46/620393246.db2.gz OMHOHRPOJSXDLX-HUUCEWRRSA-N 0 3 265.784 3.414 20 30 CGEDHN Cc1cccc(C[C@H](C)NCc2nc(C#N)cs2)c1 ZINC000897625584 620412956 /nfs/dbraw/zinc/41/29/56/620412956.db2.gz GOEKZICVLUWUIM-LBPRGKRZSA-N 0 3 271.389 3.044 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCCc3cccnc32)C1 ZINC000927064491 620569595 /nfs/dbraw/zinc/56/95/95/620569595.db2.gz VTIMDYLILFJMSG-QEJZJMRPSA-N 0 3 255.365 3.131 20 30 CGEDHN C[C@@H](NCCc1c(F)cccc1F)c1cc(C#N)ccn1 ZINC000902754661 621425799 /nfs/dbraw/zinc/42/57/99/621425799.db2.gz FVTLOWMLVNWVGM-LLVKDONJSA-N 0 3 287.313 3.125 20 30 CGEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cc(C#N)ccn2)C12CCCC2 ZINC000902826392 621458021 /nfs/dbraw/zinc/45/80/21/621458021.db2.gz UPWVJLNWZCMJRW-KBRIMQKVSA-N 0 3 299.418 3.342 20 30 CGEDHN CC[C@H](N[C@@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000902843172 621471079 /nfs/dbraw/zinc/47/10/79/621471079.db2.gz LOMNTRGINDXRNS-ROUUACIJSA-N 0 3 280.371 3.333 20 30 CGEDHN Cc1cnc([C@H](C)CN[C@H](C)c2cc(C#N)ccn2)s1 ZINC000902950842 621503428 /nfs/dbraw/zinc/50/34/28/621503428.db2.gz KBYVLYWZAQRREJ-ZYHUDNBSSA-N 0 3 286.404 3.173 20 30 CGEDHN C[C@@H](NC[C@@H]1CCCCC1(F)F)c1cc(C#N)ccn1 ZINC000903003442 621527711 /nfs/dbraw/zinc/52/77/11/621527711.db2.gz UJPSUTTZOUTNEY-YPMHNXCESA-N 0 3 279.334 3.429 20 30 CGEDHN N#CC1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000903030763 621534901 /nfs/dbraw/zinc/53/49/01/621534901.db2.gz FXSVNRRUNZSJIG-OAHLLOKOSA-N 0 3 299.374 3.199 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H]2CCCF)n1 ZINC000903263563 621648381 /nfs/dbraw/zinc/64/83/81/621648381.db2.gz NZVJXXXTZPJZFK-ZYHUDNBSSA-N 0 3 267.373 3.023 20 30 CGEDHN Cc1nc(C#N)sc1-c1ccc(CN(C)C)s1 ZINC000904858392 622000354 /nfs/dbraw/zinc/00/03/54/622000354.db2.gz HXOVUEPESFUPNY-UHFFFAOYSA-N 0 3 263.391 3.113 20 30 CGEDHN CC1/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)c2ncnn21 ZINC000905079913 622032737 /nfs/dbraw/zinc/03/27/37/622032737.db2.gz HCODOSNFHLFAKK-HOXUKUGESA-N 0 3 281.359 3.417 20 30 CGEDHN CC(C)Cc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905082813 622033394 /nfs/dbraw/zinc/03/33/94/622033394.db2.gz XFRUIKPHQJVDFB-DGGAMASNSA-N 0 3 281.359 3.318 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000911955728 622579127 /nfs/dbraw/zinc/57/91/27/622579127.db2.gz GYHLHGIPELQCJR-LBPRGKRZSA-N 0 3 296.798 3.279 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C)ccc1Cl ZINC000912237579 622618918 /nfs/dbraw/zinc/61/89/18/622618918.db2.gz KWQVLYSHYKAMKP-GFCCVEGCSA-N 0 3 266.772 3.271 20 30 CGEDHN CCOCCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000060803141 623072027 /nfs/dbraw/zinc/07/20/27/623072027.db2.gz OVVLNGANOHXPQA-GHRIWEEISA-N 0 3 278.396 3.084 20 30 CGEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000173963747 623350656 /nfs/dbraw/zinc/35/06/56/623350656.db2.gz KTXSCBKTWXAKJN-OCCSQVGLSA-N 0 3 272.348 3.079 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)ccc3C)CCC[C@H]12 ZINC000992453056 623568439 /nfs/dbraw/zinc/56/84/39/623568439.db2.gz DPMCMMJFXGBRDG-PKOBYXMFSA-N 0 3 298.430 3.216 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)C3CCC=CCC3)CCC[C@@H]12 ZINC000992492827 623602442 /nfs/dbraw/zinc/60/24/42/623602442.db2.gz HYECTCIPIUZTQE-AEFFLSMTSA-N 0 3 288.435 3.032 20 30 CGEDHN COC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000925406976 623704867 /nfs/dbraw/zinc/70/48/67/623704867.db2.gz IYTMFHCTOWAIJQ-HIFRSBDPSA-N 0 3 260.381 3.292 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993080292 623821875 /nfs/dbraw/zinc/82/18/75/623821875.db2.gz NZCYIBQUCAEULG-RDJZCZTQSA-N 0 3 290.451 3.422 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993083521 623828456 /nfs/dbraw/zinc/82/84/56/623828456.db2.gz UOLXZIUGITVFAB-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN N#CC(C(=O)CC1CC1)c1nc2ccccc2n1C(F)F ZINC000915104367 623895799 /nfs/dbraw/zinc/89/57/99/623895799.db2.gz PESJXTGUOQNHPO-SNVBAGLBSA-N 0 3 289.285 3.408 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993186354 623908626 /nfs/dbraw/zinc/90/86/26/623908626.db2.gz PJGDXMBCRRIDPD-UONOGXRCSA-N 0 3 292.467 3.214 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993290981 623999678 /nfs/dbraw/zinc/99/96/78/623999678.db2.gz BYUZBCHWKOSDAS-DOTOQJQBSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993698657 624058669 /nfs/dbraw/zinc/05/86/69/624058669.db2.gz AUDBZIJDLPRBPM-GDBMZVCRSA-N 0 3 290.451 3.112 20 30 CGEDHN N#CC(C(=O)CCC1CCC1)c1nc2ccccc2[nH]1 ZINC000175085153 624612496 /nfs/dbraw/zinc/61/24/96/624612496.db2.gz FLUMQAAYHRWLAS-LBPRGKRZSA-N 0 3 267.332 3.319 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC000999672563 625832737 /nfs/dbraw/zinc/83/27/37/625832737.db2.gz PHNDJDATBGWWKS-GRTSSRMGSA-N 0 3 298.858 3.144 20 30 CGEDHN Cc1ccccc1O[C@@H](C)CNCc1csc(C#N)c1 ZINC000921790674 625876118 /nfs/dbraw/zinc/87/61/18/625876118.db2.gz MICYQFAZGBOYAS-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001000843723 625881891 /nfs/dbraw/zinc/88/18/91/625881891.db2.gz YIGLWULATPJZGP-KRWDZBQOSA-N 0 3 288.435 3.057 20 30 CGEDHN Cc1cnc(Cl)c(CN[C@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000922320668 625997370 /nfs/dbraw/zinc/99/73/70/625997370.db2.gz NKIQBURJFXOALG-INIZCTEOSA-N 0 3 297.789 3.172 20 30 CGEDHN CC(C)OC1(CNCc2csc(C#N)c2)CCC1 ZINC000922323418 625997751 /nfs/dbraw/zinc/99/77/51/625997751.db2.gz MDMNBFQEOJRCCQ-UHFFFAOYSA-N 0 3 264.394 3.057 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001004356401 626042512 /nfs/dbraw/zinc/04/25/12/626042512.db2.gz XSPMFTHSPSHWNC-OAHLLOKOSA-N 0 3 298.858 3.098 20 30 CGEDHN Cc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1C#N ZINC000922762115 626043618 /nfs/dbraw/zinc/04/36/18/626043618.db2.gz UEOJHOPOFHLUNG-AWEZNQCLSA-N 0 3 292.382 3.480 20 30 CGEDHN C#Cc1ccc(CN[C@]2(C)CCOc3ccccc32)cc1 ZINC000923027026 626121764 /nfs/dbraw/zinc/12/17/64/626121764.db2.gz ZMJADNCXHXKIPB-LJQANCHMSA-N 0 3 277.367 3.455 20 30 CGEDHN Cc1cc(Br)ccc1N=NC1CN(C)C[C@@H]1C ZINC000752164305 626420373 /nfs/dbraw/zinc/42/03/73/626420373.db2.gz FGHAREWGYMSOFL-JTQLQIEISA-N 0 3 296.212 3.107 20 30 CGEDHN C#CCOCCN[C@H](c1ccccc1Cl)C(C)C ZINC000753760402 626464913 /nfs/dbraw/zinc/46/49/13/626464913.db2.gz JOMARTCECWJMAA-HNNXBMFYSA-N 0 3 265.784 3.277 20 30 CGEDHN C=C(C)[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)OCC ZINC000756520962 626711777 /nfs/dbraw/zinc/71/17/77/626711777.db2.gz UIRFBTYVPGLNGP-LRDDRELGSA-N 0 3 298.342 3.375 20 30 CGEDHN COCC(C)(C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000756520242 626712019 /nfs/dbraw/zinc/71/20/19/626712019.db2.gz WLJOUHIMCXEOCY-SNVBAGLBSA-N 0 3 288.372 3.145 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OCC=C)c(Cl)c1 ZINC000809686024 626773133 /nfs/dbraw/zinc/77/31/33/626773133.db2.gz IMXFMBLMUWKEMA-ZDUSSCGKSA-N 0 3 263.768 3.406 20 30 CGEDHN C=CC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759047749 626871469 /nfs/dbraw/zinc/87/14/69/626871469.db2.gz ICPWQIRZNZLFHM-HNNXBMFYSA-N 0 3 283.774 3.411 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCSC1)c1ccc2ccccc2n1 ZINC000762064796 627085010 /nfs/dbraw/zinc/08/50/10/627085010.db2.gz XVGYQJPCMKQILQ-CHWSQXEVSA-N 0 3 282.368 3.164 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(OC)cc2C)cc1 ZINC000765260350 627244223 /nfs/dbraw/zinc/24/42/23/627244223.db2.gz KJHGJDUZIVBPPS-UHFFFAOYSA-N 0 3 295.382 3.305 20 30 CGEDHN Cc1cc(CNCc2ccc(N(C)C)cc2)ccc1C#N ZINC000767661088 627424948 /nfs/dbraw/zinc/42/49/48/627424948.db2.gz BSROYMISOZXQEI-UHFFFAOYSA-N 0 3 279.387 3.223 20 30 CGEDHN N#CC1(c2ccccc2)CCC(NCc2ccon2)CC1 ZINC000768401159 627479249 /nfs/dbraw/zinc/47/92/49/627479249.db2.gz CWNJDWGZMBDKKL-UHFFFAOYSA-N 0 3 281.359 3.168 20 30 CGEDHN C#CCOc1ccccc1CN(CC)CCc1ccccn1 ZINC000769036328 627519768 /nfs/dbraw/zinc/51/97/68/627519768.db2.gz KUZNVQNVSADKTO-UHFFFAOYSA-N 0 3 294.398 3.158 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C2=CCCCCC2)nc(C)n1 ZINC000773971945 627933462 /nfs/dbraw/zinc/93/34/62/627933462.db2.gz LYJIWUJWCDZOLE-CQSZACIVSA-N 0 3 269.348 3.160 20 30 CGEDHN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000773977204 627934451 /nfs/dbraw/zinc/93/44/51/627934451.db2.gz UTNIFORSEFJGBY-JSGCOSHPSA-N 0 3 286.375 3.406 20 30 CGEDHN C#CCN[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000775322585 628083180 /nfs/dbraw/zinc/08/31/80/628083180.db2.gz WHIAMQQGDWCZQP-QGZVFWFLSA-N 0 3 295.382 3.210 20 30 CGEDHN N#CCC[C@@H](NC[C@@H](O)c1ccccc1F)c1ccccc1 ZINC000775553443 628105375 /nfs/dbraw/zinc/10/53/75/628105375.db2.gz ONXUHLAAVCOMKY-QZTJIDSGSA-N 0 3 298.361 3.494 20 30 CGEDHN C#C[C@@H](NCCSc1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000775793658 628137298 /nfs/dbraw/zinc/13/72/98/628137298.db2.gz WPFKJFVLIZRWKJ-IAGOWNOFSA-N 0 3 289.444 3.166 20 30 CGEDHN CO[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000777013881 628245343 /nfs/dbraw/zinc/24/53/43/628245343.db2.gz XWQAZMOOOUNYKK-ZIAGYGMSSA-N 0 3 298.308 3.103 20 30 CGEDHN C#CC[C@H](NCc1ccc(CO)cc1)c1ccccc1 ZINC000778958017 628379797 /nfs/dbraw/zinc/37/97/97/628379797.db2.gz KKJBGMXYHVLLPU-SFHVURJKSA-N 0 3 265.356 3.033 20 30 CGEDHN C=CC[N@@H+](CCc1ccco1)Cc1cc(F)ccc1[O-] ZINC000779169865 628392292 /nfs/dbraw/zinc/39/22/92/628392292.db2.gz RIDOILWSYMSFKF-UHFFFAOYSA-N 0 3 275.323 3.355 20 30 CGEDHN C=CC[N@H+](CCc1ccco1)Cc1cc(F)ccc1[O-] ZINC000779169865 628392294 /nfs/dbraw/zinc/39/22/94/628392294.db2.gz RIDOILWSYMSFKF-UHFFFAOYSA-N 0 3 275.323 3.355 20 30 CGEDHN COC1CCC(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000781450542 628560594 /nfs/dbraw/zinc/56/05/94/628560594.db2.gz DMCHQUTXSXQSOG-BPCQOVAHSA-N 0 3 298.342 3.209 20 30 CGEDHN Cc1nc(F)ccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000785617817 628875199 /nfs/dbraw/zinc/87/51/99/628875199.db2.gz VPMOZADMOJKUEH-MRXNPFEDSA-N 0 3 281.334 3.178 20 30 CGEDHN C#CCC(C)(C)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000805911053 629184804 /nfs/dbraw/zinc/18/48/04/629184804.db2.gz AMVFFDNWNGXHNP-UHFFFAOYSA-N 0 3 299.414 3.489 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000862444928 629378336 /nfs/dbraw/zinc/37/83/36/629378336.db2.gz IZUKCKDHXHRGLB-GFCCVEGCSA-N 0 3 285.416 3.118 20 30 CGEDHN C#CC[C@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000862445650 629379836 /nfs/dbraw/zinc/37/98/36/629379836.db2.gz YUIROPZVWPWUEK-LQPUYASZSA-N 0 3 261.315 3.323 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2cccc([C@@H](C)CC)c2)CC1 ZINC000862487024 629387127 /nfs/dbraw/zinc/38/71/27/629387127.db2.gz MONFKSYLEJTVSL-HNNXBMFYSA-N 0 3 298.430 3.484 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792897883 629390071 /nfs/dbraw/zinc/39/00/71/629390071.db2.gz GMBXTLZROQBVDH-PWSUYJOCSA-N 0 3 275.223 3.442 20 30 CGEDHN CC[C@H](C)CON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000793158599 629418055 /nfs/dbraw/zinc/41/80/55/629418055.db2.gz JAKSISQBDMHBDQ-GJZGRUSLSA-N 0 3 290.407 3.308 20 30 CGEDHN Cc1cc(NN=Cc2ccccc2C(C)C)ccn1 ZINC000863160805 629486806 /nfs/dbraw/zinc/48/68/06/629486806.db2.gz RPYOSCKQWIBDGJ-UHFFFAOYSA-N 0 3 253.349 3.381 20 30 CGEDHN Cc1ccccc1[C@@H](O)C1CCN(CCCC#N)CC1 ZINC000796409449 629777624 /nfs/dbraw/zinc/77/76/24/629777624.db2.gz ZSYUOIFEZYFFKY-KRWDZBQOSA-N 0 3 272.392 3.044 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@H](C)O[C@H]2C)c([O-])c1 ZINC000864347190 629815939 /nfs/dbraw/zinc/81/59/39/629815939.db2.gz LWVOSLPHIBLXNS-PQVZIXGASA-N 0 3 290.407 3.223 20 30 CGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccoc1C1CC1 ZINC000798816777 630099376 /nfs/dbraw/zinc/09/93/76/630099376.db2.gz OVMCTLBAFONCKC-AWEZNQCLSA-N 0 3 294.310 3.118 20 30 CGEDHN C[C@H]1CC[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000800809217 630300517 /nfs/dbraw/zinc/30/05/17/630300517.db2.gz FZSGFMKINNTTQO-STQMWFEESA-N 0 3 254.337 3.215 20 30 CGEDHN Cc1nc(C(C)N=Nc2ccc(C#N)c(Cl)c2)cn1C ZINC000800815857 630301716 /nfs/dbraw/zinc/30/17/16/630301716.db2.gz QIECWQPAYPTLRA-UHFFFAOYSA-N 0 3 287.754 3.090 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573782 630345103 /nfs/dbraw/zinc/34/51/03/630345103.db2.gz HWYHJHSOWKNWNR-PBHICJAKSA-N 0 3 294.439 3.025 20 30 CGEDHN CCc1ccc(C2=CCN(CCO[C@H](C)C#N)CC2)cc1 ZINC000801940836 630372154 /nfs/dbraw/zinc/37/21/54/630372154.db2.gz SDFABUQGLCSAQJ-OAHLLOKOSA-N 0 3 284.403 3.267 20 30 CGEDHN C#CCCCN[C@@H](COC)c1cccc(Cl)c1F ZINC000806141291 630547820 /nfs/dbraw/zinc/54/78/20/630547820.db2.gz HXRLKHUDSYJEJG-ZDUSSCGKSA-N 0 3 269.747 3.170 20 30 CGEDHN C#C[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000808713242 630669323 /nfs/dbraw/zinc/66/93/23/630669323.db2.gz FXLGATTXLIIWSD-UGFHNGPFSA-N 0 3 293.794 3.185 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000809686149 630781716 /nfs/dbraw/zinc/78/17/16/630781716.db2.gz VHCIYTOMQZNZPT-DZGCQCFKSA-N 0 3 275.392 3.374 20 30 CGEDHN C#C[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)C(C)(C)C ZINC000809782508 630807838 /nfs/dbraw/zinc/80/78/38/630807838.db2.gz WRKZYFJAJKGISU-HNNXBMFYSA-N 0 3 285.366 3.353 20 30 CGEDHN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCC1(F)F ZINC000810044755 630833541 /nfs/dbraw/zinc/83/35/41/630833541.db2.gz NOOBFEYPVYFYCC-CYBMUJFWSA-N 0 3 294.345 3.304 20 30 CGEDHN C=CCN(CCOC)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878503175 635533355 /nfs/dbraw/zinc/53/33/55/635533355.db2.gz OSYMAXLJMSUXHF-DLBZAZTESA-N 0 3 275.392 3.041 20 30 CGEDHN C#CCCCCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000878710282 635611853 /nfs/dbraw/zinc/61/18/53/635611853.db2.gz BEPBURXMYDTUDK-IBGZPJMESA-N 0 3 297.398 3.290 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)cc(C)cc1C ZINC000876545789 634853773 /nfs/dbraw/zinc/85/37/73/634853773.db2.gz TYPQKDQMZOOXGH-GFCCVEGCSA-N 0 3 266.772 3.020 20 30 CGEDHN c1cc2c3c(c1)C(=NNC1CCCC1)CC[C@H]3CN2 ZINC000814832769 631651997 /nfs/dbraw/zinc/65/19/97/631651997.db2.gz MWFIKNLPZQWKIQ-NSHDSACASA-N 0 3 255.365 3.226 20 30 CGEDHN C#CCN(C[C@@H](O)c1cc2ccccc2o1)C1CCCC1 ZINC000815061519 631709207 /nfs/dbraw/zinc/70/92/07/631709207.db2.gz XYHGHWHORIMVKF-MRXNPFEDSA-N 0 3 283.371 3.344 20 30 CGEDHN C#CCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816471859 631987078 /nfs/dbraw/zinc/98/70/78/631987078.db2.gz OPJJPLYMVWLUQY-SJLPKXTDSA-N 0 3 299.414 3.386 20 30 CGEDHN COc1cccc2cc(CN[C@@H]3CC[C@H](C#N)C3)oc21 ZINC000818230729 632299819 /nfs/dbraw/zinc/29/98/19/632299819.db2.gz RSTFQYXELIJHRC-WCQYABFASA-N 0 3 270.332 3.223 20 30 CGEDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2c1c(F)ccc2[O-] ZINC000818356231 632313656 /nfs/dbraw/zinc/31/36/56/632313656.db2.gz LXANNSSICPKBBH-LSCVPOLPSA-N 0 3 274.339 3.361 20 30 CGEDHN C#CCN[C@H](c1ccc(OCC)c(OCC)c1)C(C)C ZINC000818744296 632348107 /nfs/dbraw/zinc/34/81/07/632348107.db2.gz MBRVTMGGZSTXJB-KRWDZBQOSA-N 0 3 275.392 3.404 20 30 CGEDHN C#CCCCCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000821631116 632808025 /nfs/dbraw/zinc/80/80/25/632808025.db2.gz XZCVGMIPHZWTGF-KRWDZBQOSA-N 0 3 298.430 3.090 20 30 CGEDHN C[C@H](c1ccccc1)N(CC(=O)NCCC#N)C1CCCC1 ZINC000823110370 633062397 /nfs/dbraw/zinc/06/23/97/633062397.db2.gz RZMAKFGJXKXMMJ-OAHLLOKOSA-N 0 3 299.418 3.022 20 30 CGEDHN C#C[C@@H](N[C@H](C)Cc1ccoc1)c1ccc(F)cc1 ZINC000824423592 633242937 /nfs/dbraw/zinc/24/29/37/633242937.db2.gz QRQUOXJLFDKANE-MLGOLLRUSA-N 0 3 257.308 3.314 20 30 CGEDHN C#C[C@H](N[C@H]1CCO[C@H](CC)C1)c1ccc(F)cc1 ZINC000824423856 633242957 /nfs/dbraw/zinc/24/29/57/633242957.db2.gz VQELTDWMIXRJLS-XHSDSOJGSA-N 0 3 261.340 3.047 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000876587463 634862243 /nfs/dbraw/zinc/86/22/43/634862243.db2.gz SFIRXOJZYWZATC-AGIUHOORSA-N 0 3 286.847 3.177 20 30 CGEDHN Cc1cccc(CNCC2(C#N)CCCCC2)c1O ZINC000827383927 633488217 /nfs/dbraw/zinc/48/82/17/633488217.db2.gz LIKFBPQLJDTOHL-UHFFFAOYSA-N 0 3 258.365 3.264 20 30 CGEDHN N#CC(C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccccn1 ZINC000870136502 633535105 /nfs/dbraw/zinc/53/51/05/633535105.db2.gz OMWSSAJFSAYPOD-IZGVIRRGSA-N 0 3 296.370 3.043 20 30 CGEDHN C[C@@]1(CN2CCC(C)(C#N)CC2)CC1(Cl)Cl ZINC000828748079 633648156 /nfs/dbraw/zinc/64/81/56/633648156.db2.gz CBIWONCLPMTIPB-NSHDSACASA-N 0 3 261.196 3.196 20 30 CGEDHN C#CC[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000829810066 633792558 /nfs/dbraw/zinc/79/25/58/633792558.db2.gz LJUILUGLDPHJLB-WBMJQRKESA-N 0 3 295.785 3.248 20 30 CGEDHN C[C@@H](C#N)OCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830764932 633886082 /nfs/dbraw/zinc/88/60/82/633886082.db2.gz NGLQCFVBRGIFCF-RDJZCZTQSA-N 0 3 282.387 3.308 20 30 CGEDHN C=C[C@H](CO)N[C@H]1CC(C)(C)Sc2ccccc21 ZINC000872087064 634013592 /nfs/dbraw/zinc/01/35/92/634013592.db2.gz AUQLPXQJXWPJSJ-YPMHNXCESA-N 0 3 263.406 3.139 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@H](C)c2ccsc21)[C@H]1CCCO1 ZINC000834768760 634239404 /nfs/dbraw/zinc/23/94/04/634239404.db2.gz FNCXSCIZRVCKDR-SPWCGHHHSA-N 0 3 275.417 3.457 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000834892367 634270809 /nfs/dbraw/zinc/27/08/09/634270809.db2.gz LIJPVNMXRVBOEO-INMHGKMJSA-N 0 3 275.392 3.475 20 30 CGEDHN C#Cc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000834901585 634278982 /nfs/dbraw/zinc/27/89/82/634278982.db2.gz ACHATMLNQJCOKP-GOSISDBHSA-N 0 3 280.346 3.443 20 30 CGEDHN CSc1ccc(N=NC2CN(C3CC3)C[C@H]2C)cc1 ZINC000834998723 634306573 /nfs/dbraw/zinc/30/65/73/634306573.db2.gz KWGPIICLUUXJFB-LLVKDONJSA-N 0 3 275.421 3.291 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000876576488 634861126 /nfs/dbraw/zinc/86/11/26/634861126.db2.gz HWLIWJLMMRKDII-HUUCEWRRSA-N 0 3 292.810 3.128 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000876665321 634877911 /nfs/dbraw/zinc/87/79/11/634877911.db2.gz TWPUTPOTQADWIY-OLZOCXBDSA-N 0 3 286.847 3.131 20 30 CGEDHN CCCCCCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000876988569 634944706 /nfs/dbraw/zinc/94/47/06/634944706.db2.gz GVZAAJKRENMYTK-INIZCTEOSA-N 0 3 274.408 3.308 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CN1CCCC2(CC2)C1 ZINC000877405503 635036516 /nfs/dbraw/zinc/03/65/16/635036516.db2.gz KXGDNLLJQIYJFS-UHFFFAOYSA-N 0 3 269.392 3.000 20 30 CGEDHN N#CC1CCC(NCc2c(F)cc(F)cc2F)CC1 ZINC000877553031 635086864 /nfs/dbraw/zinc/08/68/64/635086864.db2.gz WNHSUKUYTFXAOW-UHFFFAOYSA-N 0 3 268.282 3.276 20 30 CGEDHN CCOc1ccc(CN(C)CCc2cccc(C#N)c2)nc1 ZINC000877704339 635156518 /nfs/dbraw/zinc/15/65/18/635156518.db2.gz MPUWNSAXNMJFCZ-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN COc1ccc(CNN=Cc2ccc(N(C)C)cc2C)cc1 ZINC000841619188 635198198 /nfs/dbraw/zinc/19/81/98/635198198.db2.gz LLLYCOWPXQJTBW-UHFFFAOYSA-N 0 3 297.402 3.193 20 30 CGEDHN C[C@@H](C#N)CNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841633516 635202775 /nfs/dbraw/zinc/20/27/75/635202775.db2.gz OSWBHCMXGRVRJM-KSSFIOAISA-N 0 3 296.418 3.091 20 30 CGEDHN Cc1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)n(C)n1 ZINC000841762932 635232802 /nfs/dbraw/zinc/23/28/02/635232802.db2.gz SGDGTUVIHYXFMJ-SUMWQHHRSA-N 0 3 294.402 3.328 20 30 CGEDHN Cc1cc(F)ccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842157234 635297804 /nfs/dbraw/zinc/29/78/04/635297804.db2.gz PWXCDQQRRYCLTI-GOSISDBHSA-N 0 3 298.361 3.171 20 30 CGEDHN N#CC1CCN(C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878016662 635321255 /nfs/dbraw/zinc/32/12/55/635321255.db2.gz QREKHSBSNXVGOC-IAGOWNOFSA-N 0 3 270.376 3.142 20 30 CGEDHN CCN(C)c1ccc(C(C)=NNC23CC(C2)C3)cc1 ZINC000842545523 635397812 /nfs/dbraw/zinc/39/78/12/635397812.db2.gz HEHPRVAVDXEKGD-UHFFFAOYSA-N 0 3 257.381 3.009 20 30 CGEDHN C#CC[C@@H]1CCCN(Cn2ccc(-c3ccsc3)n2)C1 ZINC000842629393 635419945 /nfs/dbraw/zinc/41/99/45/635419945.db2.gz MBXBPCPIMSDNBG-CQSZACIVSA-N 0 3 285.416 3.304 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCCC[C@H]1C1CC1)c1ccccn1 ZINC000842684798 635440064 /nfs/dbraw/zinc/44/00/64/635440064.db2.gz NUCSANIFKYJJKH-ZNMIVQPWSA-N 0 3 268.360 3.474 20 30 CGEDHN N#CCOc1ccc(CN2CCC3(CC3(F)F)CC2)cc1 ZINC000844407553 635892429 /nfs/dbraw/zinc/89/24/29/635892429.db2.gz NPTOQFKYBBVCGE-UHFFFAOYSA-N 0 3 292.329 3.210 20 30 CGEDHN C=CCCC[C@@H](NCC(=O)NCC(F)F)c1ccccc1 ZINC000880389609 635991955 /nfs/dbraw/zinc/99/19/55/635991955.db2.gz JIPROPDCWKUCGW-CQSZACIVSA-N 0 3 296.361 3.055 20 30 CGEDHN CCN(Cc1cccc(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000880460780 636004377 /nfs/dbraw/zinc/00/43/77/636004377.db2.gz ZTOUQNXKPOSJHD-SFHVURJKSA-N 0 3 280.371 3.114 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845437534 636035886 /nfs/dbraw/zinc/03/58/86/636035886.db2.gz XKTRGTNMIPOOSY-BFHYXJOUSA-N 0 3 293.370 3.186 20 30 CGEDHN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128769843 636075181 /nfs/dbraw/zinc/07/51/81/636075181.db2.gz AEOOQVXDPDGBHL-TUKIKUTGSA-N 0 3 292.338 3.143 20 30 CGEDHN C=CCC[C@@H](NCc1nc(C)cs1)[C@H]1CCCO1 ZINC000883169370 636563484 /nfs/dbraw/zinc/56/34/84/636563484.db2.gz USGXIDRWZXHELR-CHWSQXEVSA-N 0 3 266.410 3.055 20 30 CGEDHN Fc1ccc(N=NC2CCCN3CCCC[C@@H]23)cc1 ZINC000848399423 636567459 /nfs/dbraw/zinc/56/74/59/636567459.db2.gz REBSEQZOWJNWCE-HNNXBMFYSA-N 0 3 261.344 3.242 20 30 CGEDHN C1CCC(ON=C2CCCN3CCCC[C@@H]23)CC1 ZINC000848408897 636569989 /nfs/dbraw/zinc/56/99/89/636569989.db2.gz FOTHHJGZJUNGFW-HNNXBMFYSA-N 0 3 250.386 3.340 20 30 CGEDHN C=CCC[C@H](NCc1c(CC)noc1CC)[C@H]1CCCO1 ZINC000883196780 636579117 /nfs/dbraw/zinc/57/91/17/636579117.db2.gz VZKCZHXJCRPERR-DOTOQJQBSA-N 0 3 292.423 3.403 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)N[C@@H](C)c1ncnn1C ZINC000883218289 636592108 /nfs/dbraw/zinc/59/21/08/636592108.db2.gz XNKKWTSUJVDKCT-HOCLYGCPSA-N 0 3 284.407 3.043 20 30 CGEDHN C=CCCC[C@H](N[C@@H](C)C(=O)NCCF)c1ccccc1 ZINC000883220858 636593897 /nfs/dbraw/zinc/59/38/97/636593897.db2.gz QIVFBNWQUHGAEV-HOCLYGCPSA-N 0 3 292.398 3.148 20 30 CGEDHN C=CCC[C@@H](NCc1cnc(CCC)o1)[C@H]1CCCO1 ZINC000883227005 636598075 /nfs/dbraw/zinc/59/80/75/636598075.db2.gz JMPXUSNFEAUPMX-HUUCEWRRSA-N 0 3 278.396 3.231 20 30 CGEDHN C#CCOc1ccccc1CNC[C@@H]1CCC2(CCCC2)O1 ZINC000848576990 636614819 /nfs/dbraw/zinc/61/48/19/636614819.db2.gz ZWECLPOUQZHXNI-KRWDZBQOSA-N 0 3 299.414 3.280 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC000848924737 636697819 /nfs/dbraw/zinc/69/78/19/636697819.db2.gz ZEAMYAWFKYGBHX-HNNXBMFYSA-N 0 3 285.387 3.083 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H](Cn2ccnc2)c2ccccc2)C1 ZINC000883388133 636730504 /nfs/dbraw/zinc/73/05/04/636730504.db2.gz NQMOTPSVLDIMFM-BPQIPLTHSA-N 0 3 294.402 3.296 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OC ZINC000883388781 636731770 /nfs/dbraw/zinc/73/17/70/636731770.db2.gz CFNMVVXHWTVKND-DGCLKSJQSA-N 0 3 283.799 3.326 20 30 CGEDHN CO[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC000850549386 637117982 /nfs/dbraw/zinc/11/79/82/637117982.db2.gz GIXJNDPYCBNMIY-ZIAGYGMSSA-N 0 3 262.397 3.008 20 30 CGEDHN N#Cc1ccc(CNCc2cncc3ccccc32)cc1 ZINC000135373848 637126199 /nfs/dbraw/zinc/12/61/99/637126199.db2.gz JUXXQJHKAMIKSZ-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCC2(CCC2)CO1 ZINC000885937694 637321340 /nfs/dbraw/zinc/32/13/40/637321340.db2.gz HRIYTHKXMYXLSM-KRWDZBQOSA-N 0 3 284.403 3.339 20 30 CGEDHN C#CC[C@H]1CCN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000886356124 637510669 /nfs/dbraw/zinc/51/06/69/637510669.db2.gz UHVLCPRUBCPZIN-WFASDCNBSA-N 0 3 297.320 3.084 20 30 CGEDHN C#CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1CCN(C)CC1 ZINC000886583347 637591796 /nfs/dbraw/zinc/59/17/96/637591796.db2.gz MJNBOUZHJIBCRA-OAHLLOKOSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCC1(O)CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000886766126 637680204 /nfs/dbraw/zinc/68/02/04/637680204.db2.gz CNXDYAXEWIDXRR-MRXNPFEDSA-N 0 3 275.367 3.216 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000886778788 637685937 /nfs/dbraw/zinc/68/59/37/637685937.db2.gz ULRZANKXQWEZQU-UHFFFAOYSA-N 0 3 288.435 3.416 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1cc(F)ccc1F ZINC000852685370 637695537 /nfs/dbraw/zinc/69/55/37/637695537.db2.gz GJGTVMQJEQDXFS-DVOMOZLQSA-N 0 3 279.330 3.181 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886815939 637702285 /nfs/dbraw/zinc/70/22/85/637702285.db2.gz LUAULWLQTLZOPS-DOTOQJQBSA-N 0 3 289.806 3.192 20 30 CGEDHN C[C@H]1CCCCN1N=C1CCCc2ccc(N)cc21 ZINC000853382098 637831775 /nfs/dbraw/zinc/83/17/75/637831775.db2.gz SNAGCIZYHDEGPX-LBPRGKRZSA-N 0 3 257.381 3.184 20 30 CGEDHN CC(C)(C)N1CC[C@H]1CNc1nc2ccccc2cc1C#N ZINC000853747280 637907399 /nfs/dbraw/zinc/90/73/99/637907399.db2.gz PGILBSXEKKYIAG-HNNXBMFYSA-N 0 3 294.402 3.391 20 30 CGEDHN CCC(=O)Nc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000924696523 638390055 /nfs/dbraw/zinc/39/00/55/638390055.db2.gz HHEIILNUTQVKPN-CYBMUJFWSA-N 0 3 287.407 3.453 20 30 CGEDHN COc1nc(C)cc(C)c1CN[C@H](C)CC(C)(C)C#N ZINC000924923399 638423744 /nfs/dbraw/zinc/42/37/44/638423744.db2.gz IVKCLNUTHIYYFZ-CYBMUJFWSA-N 0 3 275.396 3.125 20 30 CGEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)CC(C)(C)C#N ZINC000925144399 638460713 /nfs/dbraw/zinc/46/07/13/638460713.db2.gz NMYSHWSGPVUFDJ-DOMZBBRYSA-N 0 3 288.391 3.437 20 30 CGEDHN C[C@@H]1OC[C@H](N[C@H](CCC#N)c2ccccc2)[C@@H]1C ZINC000925599913 638541510 /nfs/dbraw/zinc/54/15/10/638541510.db2.gz DIIVJQPRKWIAJF-CLWVCHIJSA-N 0 3 258.365 3.044 20 30 CGEDHN C=CCC[C@H](NCc1cc(N)ccn1)c1ccco1 ZINC000925766089 638602353 /nfs/dbraw/zinc/60/23/53/638602353.db2.gz GKJHDEOPDORHLI-AWEZNQCLSA-N 0 3 257.337 3.054 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCc2ccc(Cl)nc21 ZINC000857915160 638602865 /nfs/dbraw/zinc/60/28/65/638602865.db2.gz BKHFWTQHZDEZEX-NSHDSACASA-N 0 3 263.772 3.252 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050515 638621334 /nfs/dbraw/zinc/62/13/34/638621334.db2.gz GDXAMNVHODBOSQ-XJKSGUPXSA-N 0 3 285.391 3.104 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050506 638621485 /nfs/dbraw/zinc/62/14/85/638621485.db2.gz GDXAMNVHODBOSQ-BBRMVZONSA-N 0 3 285.391 3.104 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000926698802 638800323 /nfs/dbraw/zinc/80/03/23/638800323.db2.gz ITDREJJXBQWHDL-KCPJHIHWSA-N 0 3 258.365 3.083 20 30 CGEDHN C=CCCC(C)(C)CN[C@H](C)c1nn(CC)nc1C ZINC000926780828 638810792 /nfs/dbraw/zinc/81/07/92/638810792.db2.gz IQJQURJLLAVGHC-GFCCVEGCSA-N 0 3 264.417 3.249 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926863845 638819115 /nfs/dbraw/zinc/81/91/15/638819115.db2.gz MJZFMQGOXJDJLD-ZFWWWQNUSA-N 0 3 286.375 3.319 20 30 CGEDHN C[C@@H](C(=O)Nc1ccc(CCC#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000928406951 638881390 /nfs/dbraw/zinc/88/13/90/638881390.db2.gz ZUIHYUSZOFDTNF-KFWWJZLASA-N 0 3 299.418 3.343 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cnn(CCF)c1 ZINC000929362408 638921260 /nfs/dbraw/zinc/92/12/60/638921260.db2.gz QEZMUWKJBBXRKR-UHFFFAOYSA-N 0 3 287.382 3.083 20 30 CGEDHN C=CC1CCN(C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929617554 638935105 /nfs/dbraw/zinc/93/51/05/638935105.db2.gz ASLJAZOVSZYTAU-QWHCGFSZSA-N 0 3 277.330 3.384 20 30 CGEDHN C=CC[C@H](C)N1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932654131 639371838 /nfs/dbraw/zinc/37/18/38/639371838.db2.gz XGTZVCDCQGSUOE-NSHDSACASA-N 0 3 293.329 3.159 20 30 CGEDHN C#CCC1(NCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000933293978 639435687 /nfs/dbraw/zinc/43/56/87/639435687.db2.gz NRUIWLDODURQTP-UHFFFAOYSA-N 0 3 278.739 3.284 20 30 CGEDHN C=CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000117881474 639481913 /nfs/dbraw/zinc/48/19/13/639481913.db2.gz TWXWJVNFHMJBFF-INIZCTEOSA-N 0 3 275.392 3.339 20 30 CGEDHN C=CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000117881474 639481920 /nfs/dbraw/zinc/48/19/20/639481920.db2.gz TWXWJVNFHMJBFF-INIZCTEOSA-N 0 3 275.392 3.339 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000118399009 639600285 /nfs/dbraw/zinc/60/02/85/639600285.db2.gz NBKWZBKUERFKOO-ZDUSSCGKSA-N 0 3 266.344 3.457 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000118399009 639600290 /nfs/dbraw/zinc/60/02/90/639600290.db2.gz NBKWZBKUERFKOO-ZDUSSCGKSA-N 0 3 266.344 3.457 20 30 CGEDHN C=C(C)c1cccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000934881108 639699072 /nfs/dbraw/zinc/69/90/72/639699072.db2.gz WHSVINNQVMCNBH-CQSZACIVSA-N 0 3 299.418 3.492 20 30 CGEDHN N#CC(C(=O)C[C@@H]1C=CCC1)c1nc2ccccc2[nH]1 ZINC000041496156 639905448 /nfs/dbraw/zinc/90/54/48/639905448.db2.gz ZLMXOAODHJTMKN-VXGBXAGGSA-N 0 3 265.316 3.095 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cccc(C3CC3)c2)CC1 ZINC001006452916 640280857 /nfs/dbraw/zinc/28/08/57/640280857.db2.gz WMZQMIYZPDJDIX-UHFFFAOYSA-N 0 3 298.430 3.286 20 30 CGEDHN C#CCCOc1ccc(CN(C)C[C@@H]2CCCCO2)cc1 ZINC000092428282 640736533 /nfs/dbraw/zinc/73/65/33/640736533.db2.gz QZUOHGTZSOVLHC-SFHVURJKSA-N 0 3 287.403 3.090 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001007118523 640939268 /nfs/dbraw/zinc/93/92/68/640939268.db2.gz BVMAJFPFDRHVFK-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015630350 640982415 /nfs/dbraw/zinc/98/24/15/640982415.db2.gz ZEJHUOABQUWIJX-KRWDZBQOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001017821744 641017679 /nfs/dbraw/zinc/01/76/79/641017679.db2.gz GYXVXEZWWVVQNA-VQHPVUNQSA-N 0 3 290.451 3.064 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001156496962 805703454 /nfs/dbraw/zinc/70/34/54/805703454.db2.gz IFEOJCINWUOWKD-BRWVUGGUSA-N 0 3 292.467 3.053 20 30 CGEDHN CCN1CCN(c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001250582002 805707037 /nfs/dbraw/zinc/70/70/37/805707037.db2.gz JGUMCWCNYHBNOI-UHFFFAOYSA-N 0 3 291.398 3.367 20 30 CGEDHN C[C@H](Nc1cc(CN(C)C)ccn1)c1cccc(C#N)c1 ZINC001156876356 805744577 /nfs/dbraw/zinc/74/45/77/805744577.db2.gz VFJQLWVEJDDSJZ-ZDUSSCGKSA-N 0 3 280.375 3.188 20 30 CGEDHN C=C[C@@H](NC[C@@H](O)c1cccc(OC)c1)c1ccccc1 ZINC001250741486 805768607 /nfs/dbraw/zinc/76/86/07/805768607.db2.gz KYFRWXYQXMHRQO-QZTJIDSGSA-N 0 3 283.371 3.246 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CCC)CC(C)C ZINC001157190247 805788447 /nfs/dbraw/zinc/78/84/47/805788447.db2.gz HKXCSYHUBQCDIJ-IAGOWNOFSA-N 0 3 294.483 3.299 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCCC ZINC001157540519 805829469 /nfs/dbraw/zinc/82/94/69/805829469.db2.gz AJDUUPFIFMCIEG-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1C[C@@H](C)[C@@H](F)C1 ZINC001252123586 806010977 /nfs/dbraw/zinc/01/09/77/806010977.db2.gz JOXVFSIOGOIIRZ-KFWWJZLASA-N 0 3 259.409 3.388 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1ccc(C#N)o1 ZINC001252138837 806024481 /nfs/dbraw/zinc/02/44/81/806024481.db2.gz DURIZEULTFCIOG-AWEZNQCLSA-N 0 3 278.396 3.352 20 30 CGEDHN C=C[C@@](C)(O)CN(C)[C@H](C)c1ccccc1Cl ZINC001252559148 806066488 /nfs/dbraw/zinc/06/64/88/806066488.db2.gz RNHSVLPMEJLABJ-BXUZGUMPSA-N 0 3 253.773 3.270 20 30 CGEDHN C=C[C@@](C)(O)CN[C@H](C)c1cccc(Cl)c1F ZINC001252569561 806071853 /nfs/dbraw/zinc/07/18/53/806071853.db2.gz UCGWSOANZYKVPJ-NOZJJQNGSA-N 0 3 257.736 3.067 20 30 CGEDHN CCCCCCCCCC[C@H](O)CN1CC(C)(CO)C1 ZINC001252978398 806144018 /nfs/dbraw/zinc/14/40/18/806144018.db2.gz BANVIAHYRJPMND-INIZCTEOSA-N 0 3 285.472 3.192 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cncn1C(C)C ZINC001253254809 806197819 /nfs/dbraw/zinc/19/78/19/806197819.db2.gz SXVWFMAIIWOXCD-KRWDZBQOSA-N 0 3 293.455 3.441 20 30 CGEDHN CCCCN(CC#N)C(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001160730289 806299173 /nfs/dbraw/zinc/29/91/73/806299173.db2.gz OWGOMMADMNSIGD-IAGOWNOFSA-N 0 3 299.418 3.022 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001161044559 806341610 /nfs/dbraw/zinc/34/16/10/806341610.db2.gz NCOYPEDOAYEKKE-RDJZCZTQSA-N 0 3 290.451 3.137 20 30 CGEDHN C[C@H]1CCc2ccccc2N1CCNCc1ccc(C#N)o1 ZINC001254184869 806359358 /nfs/dbraw/zinc/35/93/58/806359358.db2.gz RVKNOMIQRAROTF-AWEZNQCLSA-N 0 3 295.386 3.082 20 30 CGEDHN N#CC1(c2ccc(F)cc2)CCC(N2C=C(N)C=CC2)CC1 ZINC001254349405 806383542 /nfs/dbraw/zinc/38/35/42/806383542.db2.gz OPADWOIDDUHUDW-UHFFFAOYSA-N 0 3 297.377 3.202 20 30 CGEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001254560214 806451892 /nfs/dbraw/zinc/45/18/92/806451892.db2.gz PUVOXWHITSJESP-DARAHFNDSA-N 0 3 299.374 3.292 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C)cc2C)CC1 ZINC001161808471 806459399 /nfs/dbraw/zinc/45/93/99/806459399.db2.gz FWRCITDILRPYMG-UHFFFAOYSA-N 0 3 298.430 3.241 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C)c(C)c2)CC1 ZINC001161814195 806462032 /nfs/dbraw/zinc/46/20/32/806462032.db2.gz XKEHGDGZFXHXKZ-UHFFFAOYSA-N 0 3 298.430 3.241 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001254636316 806467261 /nfs/dbraw/zinc/46/72/61/806467261.db2.gz WVVPUYGMFSAKEI-ONGXEEELSA-N 0 3 252.720 3.261 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCCC[C@H]2c2cccnc2)C1 ZINC001254669538 806480194 /nfs/dbraw/zinc/48/01/94/806480194.db2.gz SHEZYPUSPOOTDQ-KBMXLJTQSA-N 0 3 255.365 3.301 20 30 CGEDHN CC(C)c1noc([C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC001254670718 806481567 /nfs/dbraw/zinc/48/15/67/806481567.db2.gz LNUAAXBZZYDYQT-MGPQQGTHSA-N 0 3 288.395 3.065 20 30 CGEDHN N#CC1(c2ccc(-n3cnc(CN)c3)cc2)CCCCC1 ZINC001162304714 806551241 /nfs/dbraw/zinc/55/12/41/806551241.db2.gz YEFOWIXZODFAAV-UHFFFAOYSA-N 0 3 280.375 3.056 20 30 CGEDHN CC[C@H](C)[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)C(=O)N[O-] ZINC001255499760 806653161 /nfs/dbraw/zinc/65/31/61/806653161.db2.gz PJJMEDUXURUCKZ-ABXWRUBCSA-N 0 3 284.444 3.101 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCCOC(C)C)c([O-])c1 ZINC000126773065 799008936 /nfs/dbraw/zinc/00/89/36/799008936.db2.gz VJFVLTWUSKVSMZ-QGOAFFKASA-N 0 3 292.423 3.472 20 30 CGEDHN N#Cc1cccc(CNCc2cccc3c2NCCC3)c1 ZINC000159376907 799072489 /nfs/dbraw/zinc/07/24/89/799072489.db2.gz JBTJJETUKQAWEZ-UHFFFAOYSA-N 0 3 277.371 3.206 20 30 CGEDHN Cc1cc(F)c(C#N)c(NC[C@@H]2CCCCN2C2CC2)c1 ZINC001163241340 806733101 /nfs/dbraw/zinc/73/31/01/806733101.db2.gz DJOLTGQIYODMIS-AWEZNQCLSA-N 0 3 287.382 3.435 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400362555 799545892 /nfs/dbraw/zinc/54/58/92/799545892.db2.gz QKTXXBSXXFSDGR-VXGBXAGGSA-N 0 3 288.819 3.117 20 30 CGEDHN C=CCC1(NCc2ncc(Cl)n2C)CCCC1 ZINC000690716064 799778605 /nfs/dbraw/zinc/77/86/05/799778605.db2.gz HEWOKBXQYOTRJH-UHFFFAOYSA-N 0 3 253.777 3.052 20 30 CGEDHN Cc1c(CN[C@@H](C)CC(C)(C)C#N)cccc1[N+](=O)[O-] ZINC000695843743 799835524 /nfs/dbraw/zinc/83/55/24/799835524.db2.gz RBMOHNQJCYHUGM-NSHDSACASA-N 0 3 275.352 3.321 20 30 CGEDHN C#C[C@@H](NCc1cc(COC)cs1)C(C)(C)C ZINC000702241455 799904964 /nfs/dbraw/zinc/90/49/64/799904964.db2.gz MSPHRLDMOICYSX-CYBMUJFWSA-N 0 3 251.395 3.032 20 30 CGEDHN C=CCCC(C)(C)NCc1cn(C)nc1Br ZINC000717922584 800208041 /nfs/dbraw/zinc/20/80/41/800208041.db2.gz WVOLVTSEDZKLID-UHFFFAOYSA-N 0 3 286.217 3.017 20 30 CGEDHN C=C1CCC(CN[C@H](C)c2cn(CCC)nn2)CC1 ZINC000724446349 800362715 /nfs/dbraw/zinc/36/27/15/800362715.db2.gz HJSOAECGXKLFAG-CYBMUJFWSA-N 0 3 262.401 3.085 20 30 CGEDHN C=C1CCC(CNCc2cn(C)nc2Br)CC1 ZINC000724589454 800363259 /nfs/dbraw/zinc/36/32/59/800363259.db2.gz RAGDDECONFXMGG-UHFFFAOYSA-N 0 3 298.228 3.019 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001023117188 800704354 /nfs/dbraw/zinc/70/43/54/800704354.db2.gz OHAFWFVYZGPJGM-IJEWVQPXSA-N 0 3 296.842 3.112 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024514145 800730733 /nfs/dbraw/zinc/73/07/33/800730733.db2.gz WCXIEJXZAIVNJC-UPTPFMHGSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028244466 800837061 /nfs/dbraw/zinc/83/70/61/800837061.db2.gz DKGNKVUMFABBLM-KRWDZBQOSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028336654 800841439 /nfs/dbraw/zinc/84/14/39/800841439.db2.gz AQMNHBYGIGYTIJ-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028330359 800841961 /nfs/dbraw/zinc/84/19/61/800841961.db2.gz GGLJPEMZSHHCSB-PQUAAJSLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CCN1CCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001028347336 800843996 /nfs/dbraw/zinc/84/39/96/800843996.db2.gz SNFAFUYQSTZHLU-LBPRGKRZSA-N 0 3 296.411 3.048 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033269625 800957285 /nfs/dbraw/zinc/95/72/85/800957285.db2.gz KJZCTSUCFQMNRT-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033603284 800969642 /nfs/dbraw/zinc/96/96/42/800969642.db2.gz KLMRWHSVMMZJQH-HNNXBMFYSA-N 0 3 292.810 3.062 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001034132669 801005749 /nfs/dbraw/zinc/00/57/49/801005749.db2.gz JMXILASIZDDPAV-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034101746 801005789 /nfs/dbraw/zinc/00/57/89/801005789.db2.gz NZGYGPUSKGNEJY-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCCN1CCCC[C@H](NC(=O)c2sccc2F)C1 ZINC001034198008 801011718 /nfs/dbraw/zinc/01/17/18/801011718.db2.gz LWPAVFBGQQBCMT-LBPRGKRZSA-N 0 3 296.411 3.048 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001034531376 801031778 /nfs/dbraw/zinc/03/17/78/801031778.db2.gz GYVOCHRIPCGRHO-UPTPFMHGSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCC1CCC1)CC2 ZINC001035678179 801060075 /nfs/dbraw/zinc/06/00/75/801060075.db2.gz FQNGYYGVQMQHOH-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCC2(CN(CC(=C)C)C2)CC1 ZINC001035782610 801061466 /nfs/dbraw/zinc/06/14/66/801061466.db2.gz PBKBNFBZYNQLKN-KRWDZBQOSA-N 0 3 290.451 3.089 20 30 CGEDHN C=Cc1ccc(C(=O)NC[C@H]2CCN2CCC(=C)C)cc1 ZINC001038729706 801131676 /nfs/dbraw/zinc/13/16/76/801131676.db2.gz OZRRRSXSRZGOQD-QGZVFWFLSA-N 0 3 284.403 3.100 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001039062132 801145638 /nfs/dbraw/zinc/14/56/38/801145638.db2.gz UWTIZTJQFCGZHE-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001039463512 801163607 /nfs/dbraw/zinc/16/36/07/801163607.db2.gz SYGNAXADWUSAEC-MSOLQXFVSA-N 0 3 298.430 3.250 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039820135 801167106 /nfs/dbraw/zinc/16/71/06/801167106.db2.gz BCGOHLQDHRKZHW-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@H]21 ZINC001042181259 801201464 /nfs/dbraw/zinc/20/14/64/801201464.db2.gz FNAYGNDMEGLEOK-HUUCEWRRSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 ZINC001042336748 801205147 /nfs/dbraw/zinc/20/51/47/801205147.db2.gz ZJLXYIJRVSVKHX-WMZOPIPTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC001045607341 801282105 /nfs/dbraw/zinc/28/21/05/801282105.db2.gz UGJIIZRUIUQUJD-CRAIPNDOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046577792 801314126 /nfs/dbraw/zinc/31/41/26/801314126.db2.gz CAFYPEJJGXUSAP-GOSISDBHSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccc(CCC)cc2)C1 ZINC001046583468 801315984 /nfs/dbraw/zinc/31/59/84/801315984.db2.gz QRZFJKLROHLUEK-GOSISDBHSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046810876 801324896 /nfs/dbraw/zinc/32/48/96/801324896.db2.gz IEJPJCSQICILQM-SFHVURJKSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046789758 801325010 /nfs/dbraw/zinc/32/50/10/801325010.db2.gz USZXDQSFETVAEC-MRXNPFEDSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCCN1CC[C@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046820683 801328384 /nfs/dbraw/zinc/32/83/84/801328384.db2.gz MEEAMXLADKYCMI-AWEZNQCLSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C1CCCC1 ZINC001049834753 801388457 /nfs/dbraw/zinc/38/84/57/801388457.db2.gz DELJPWXPYPUAPL-DJIMGWMZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049904974 801394267 /nfs/dbraw/zinc/39/42/67/801394267.db2.gz UVGZVTGJCADJJE-CABCVRRESA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H]3CC3(C)C)cc2C1 ZINC001054260608 801481998 /nfs/dbraw/zinc/48/19/98/801481998.db2.gz AEWJTXLVEKNGRN-QGZVFWFLSA-N 0 3 298.430 3.241 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)oc2C)CC[C@H]1C ZINC001071333779 801530803 /nfs/dbraw/zinc/53/08/03/801530803.db2.gz BDAVOJFKPODJPH-IUODEOHRSA-N 0 3 290.407 3.055 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071390519 801531689 /nfs/dbraw/zinc/53/16/89/801531689.db2.gz BJSDSUHWLSPMQO-NVXWUHKLSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C3CC3)CCC2)CC[C@H]1C ZINC001071709015 801547695 /nfs/dbraw/zinc/54/76/95/801547695.db2.gz PMZGXWJIIIYIFF-GDBMZVCRSA-N 0 3 290.451 3.112 20 30 CGEDHN CC(C)n1ncc2c1[C@H](N[C@@H]1CC[C@@H](C#N)C1)CCC2 ZINC001256580085 806921060 /nfs/dbraw/zinc/92/10/60/806921060.db2.gz DEOLPMHUVZVURK-BPLDGKMQSA-N 0 3 272.396 3.123 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)C3CCCCCCC3)[C@@H]2C1 ZINC001076024881 801613726 /nfs/dbraw/zinc/61/37/26/801613726.db2.gz BVQMUUODFJNGTD-DLBZAZTESA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001084323087 801668876 /nfs/dbraw/zinc/66/88/76/801668876.db2.gz CKBRBQQPGDOSOH-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085584666 801696249 /nfs/dbraw/zinc/69/62/49/801696249.db2.gz KRYHKLHUQBNQDJ-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C2CC2)c1 ZINC001085991461 801716948 /nfs/dbraw/zinc/71/69/48/801716948.db2.gz OAOVXINJSNAIMB-SFHVURJKSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001085993395 801719440 /nfs/dbraw/zinc/71/94/40/801719440.db2.gz JZHBYPNCZALGAA-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1 ZINC001089606016 801846022 /nfs/dbraw/zinc/84/60/22/801846022.db2.gz UDRAZOWYOCUTQB-HNNXBMFYSA-N 0 3 290.407 3.076 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001099230093 801935072 /nfs/dbraw/zinc/93/50/72/801935072.db2.gz QQCGDMVCAICSFB-OAHLLOKOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(CC)CC)C2 ZINC001109148190 802109907 /nfs/dbraw/zinc/10/99/07/802109907.db2.gz KFSFPILZKRMQLO-PMPSAXMXSA-N 0 3 276.424 3.030 20 30 CGEDHN C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)CC1 ZINC001109682064 802123325 /nfs/dbraw/zinc/12/33/25/802123325.db2.gz RWCTXQHSEPSACG-PMPSAXMXSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113244160 802209290 /nfs/dbraw/zinc/20/92/90/802209290.db2.gz VLZNRKVPVZNMQB-HNNXBMFYSA-N 0 3 280.456 3.169 20 30 CGEDHN C#CCOCCN(C)CCSc1ccc(Cl)cc1 ZINC001116402143 802343854 /nfs/dbraw/zinc/34/38/54/802343854.db2.gz XQWHCDFZUQXEPP-UHFFFAOYSA-N 0 3 283.824 3.014 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cccc(OC(F)F)c2)C1 ZINC001116541232 802374936 /nfs/dbraw/zinc/37/49/36/802374936.db2.gz BONQWXOHJRWMIY-AWEZNQCLSA-N 0 3 283.318 3.065 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1cccc(OC(F)F)c1 ZINC001116643716 802391966 /nfs/dbraw/zinc/39/19/66/802391966.db2.gz TXJDJJCPUKUQTJ-PWSUYJOCSA-N 0 3 271.307 3.140 20 30 CGEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)[C@@H]1c1ccccc1 ZINC001119323443 802648848 /nfs/dbraw/zinc/64/88/48/802648848.db2.gz ZUMDUZOALZIBSX-PVAVHDDUSA-N 0 3 299.418 3.007 20 30 CGEDHN C=CC[C@@H]1N(Cc2[nH]nc3c2COCC3)CCCC1(C)C ZINC001119772368 802699794 /nfs/dbraw/zinc/69/97/94/802699794.db2.gz WXVYLJAIOBREOE-INIZCTEOSA-N 0 3 289.423 3.049 20 30 CGEDHN C#CC(C)(C)N(C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001119852467 802703692 /nfs/dbraw/zinc/70/36/92/802703692.db2.gz VBFZJFSTGCXRDM-ZIAGYGMSSA-N 0 3 263.331 3.379 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)C(C)C)C2 ZINC001121860287 802848189 /nfs/dbraw/zinc/84/81/89/802848189.db2.gz LLCZMEVWLIJNSX-BHTBLZRRSA-N 0 3 298.858 3.048 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132056985 803369568 /nfs/dbraw/zinc/36/95/68/803369568.db2.gz ICPBBETWFUZVGF-DOTOQJQBSA-N 0 3 290.451 3.300 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@H]1C ZINC001132079059 803372540 /nfs/dbraw/zinc/37/25/40/803372540.db2.gz SIESZWIKVPPRSH-OCCSQVGLSA-N 0 3 298.858 3.310 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132219070 803380064 /nfs/dbraw/zinc/38/00/64/803380064.db2.gz ZNQRNNNSKMOXGO-GJZGRUSLSA-N 0 3 278.440 3.134 20 30 CGEDHN CC#CCCCC(=O)N[C@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001132224860 803381327 /nfs/dbraw/zinc/38/13/27/803381327.db2.gz RHDVXMZSLGEFKM-IRXDYDNUSA-N 0 3 290.451 3.115 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132413712 803401958 /nfs/dbraw/zinc/40/19/58/803401958.db2.gz GDIXTTQWNLLROW-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN CN(C)/C=C/c1ccncc1-c1cc(C#N)ccc1F ZINC001244559156 803438072 /nfs/dbraw/zinc/43/80/72/803438072.db2.gz HIJXFCAPZGBBOK-SOFGYWHQSA-N 0 3 267.307 3.292 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001133382894 803472304 /nfs/dbraw/zinc/47/23/04/803472304.db2.gz CMSFBOLDJPABAZ-GUYCJALGSA-N 0 3 292.398 3.195 20 30 CGEDHN C[NH2+]Cc1cccc(-c2cccc(/C=N/[O-])c2)c1F ZINC001244861559 803553016 /nfs/dbraw/zinc/55/30/16/803553016.db2.gz HZUOZQKPVSWCIF-GIJQJNRQSA-N 0 3 258.296 3.020 20 30 CGEDHN C=CCC1(C(=O)NCCN2CCC[C@@H](C)C2)CCCCC1 ZINC001136225135 803637627 /nfs/dbraw/zinc/63/76/27/803637627.db2.gz TYYDAHJLSHXXNF-MRXNPFEDSA-N 0 3 292.467 3.361 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136985762 803668030 /nfs/dbraw/zinc/66/80/30/803668030.db2.gz UTHQYTTXFBPOKI-GFCCVEGCSA-N 0 3 271.339 3.433 20 30 CGEDHN [O-]c1cccnc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001138396700 803916060 /nfs/dbraw/zinc/91/60/60/803916060.db2.gz YIEPPJAXQPGKOR-UHFFFAOYSA-N 0 3 292.382 3.051 20 30 CGEDHN COc1c(C)cc(CN2CCC[C@H](C#N)CC2)cc1C ZINC001138428696 803932944 /nfs/dbraw/zinc/93/29/44/803932944.db2.gz PZBPPIDUSPHTND-HNNXBMFYSA-N 0 3 272.392 3.438 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC3(CCCO3)CC2)c1[O-] ZINC001138627884 803985604 /nfs/dbraw/zinc/98/56/04/803985604.db2.gz IKXHRJIREOCVMD-UHFFFAOYSA-N 0 3 287.403 3.266 20 30 CGEDHN C=CCc1cccc(CN(C)Cc2ccc(C)nc2)c1O ZINC001138630290 803985659 /nfs/dbraw/zinc/98/56/59/803985659.db2.gz VIFFHPTVAKVEQT-UHFFFAOYSA-N 0 3 282.387 3.456 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)Cc2ccc(C)nc2)c1[O-] ZINC001138630290 803985665 /nfs/dbraw/zinc/98/56/65/803985665.db2.gz VIFFHPTVAKVEQT-UHFFFAOYSA-N 0 3 282.387 3.456 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccc(C)nc2)c1[O-] ZINC001138630290 803985673 /nfs/dbraw/zinc/98/56/73/803985673.db2.gz VIFFHPTVAKVEQT-UHFFFAOYSA-N 0 3 282.387 3.456 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC001138661811 803994101 /nfs/dbraw/zinc/99/41/01/803994101.db2.gz HAKRGPXYNJOGGE-SJORKVTESA-N 0 3 287.403 3.110 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001139029014 804112647 /nfs/dbraw/zinc/11/26/47/804112647.db2.gz NGUZUXWIEHEVAS-QAPCUYQASA-N 0 3 287.403 3.252 20 30 CGEDHN CCn1ccc2ccc(CN3CCC(C#N)CC3)cc21 ZINC001139119214 804130050 /nfs/dbraw/zinc/13/00/50/804130050.db2.gz HCJDFERVOKXJMO-UHFFFAOYSA-N 0 3 267.376 3.397 20 30 CGEDHN CCCCCN1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139527305 804202114 /nfs/dbraw/zinc/20/21/14/804202114.db2.gz DOTNQVWBCMYWFW-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN CCCCCCCC[C@@H](CCC)N[C@@H]1CNCCC1=O ZINC001246292991 804263170 /nfs/dbraw/zinc/26/31/70/804263170.db2.gz OMAZFAHUZZZZRA-HZPDHXFCSA-N 0 3 282.472 3.426 20 30 CGEDHN Cc1ccc(CN2CC[C@]3(C2)CCCCO3)cc1C#N ZINC001139723156 804267775 /nfs/dbraw/zinc/26/77/75/804267775.db2.gz SRWIDZFTNGXHMC-KRWDZBQOSA-N 0 3 270.376 3.012 20 30 CGEDHN C=CCn1cc(CN(C)CCc2cccc(Cl)c2)cn1 ZINC001139772926 804280009 /nfs/dbraw/zinc/28/00/09/804280009.db2.gz UHHUZVGHRNDYKM-UHFFFAOYSA-N 0 3 289.810 3.397 20 30 CGEDHN Cn1c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc2ccccc21 ZINC001139871615 804302119 /nfs/dbraw/zinc/30/21/19/804302119.db2.gz IDZGKBDIBQCLPD-MKZZRHPPSA-N 0 3 279.387 3.445 20 30 CGEDHN CC[N@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1[O-] ZINC001139876304 804308848 /nfs/dbraw/zinc/30/88/48/804308848.db2.gz QRHMALODSWWUJW-UHFFFAOYSA-N 0 3 284.334 3.425 20 30 CGEDHN CC[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1[O-] ZINC001139876304 804308854 /nfs/dbraw/zinc/30/88/54/804308854.db2.gz QRHMALODSWWUJW-UHFFFAOYSA-N 0 3 284.334 3.425 20 30 CGEDHN O=C1C=C2CN(Cc3cc4ccccc4cn3)CCC2S1 ZINC001139996946 804347447 /nfs/dbraw/zinc/34/74/47/804347447.db2.gz VYMQQBVBFVWXQJ-MRXNPFEDSA-N 0 3 296.395 3.009 20 30 CGEDHN N#Cc1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001140808513 804525771 /nfs/dbraw/zinc/52/57/71/804525771.db2.gz UIKPAXGJBCFAGH-BETUJISGSA-N 0 3 260.768 3.444 20 30 CGEDHN Cc1ccc(F)c(CNC2CCC(C#N)CC2)c1F ZINC001256950995 807014528 /nfs/dbraw/zinc/01/45/28/807014528.db2.gz VBZCMPGVUFCMLH-UHFFFAOYSA-N 0 3 264.319 3.445 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2ccc(C(=O)OC)cc12 ZINC001143237471 804824569 /nfs/dbraw/zinc/82/45/69/804824569.db2.gz LZPMKBQKLLKKCY-UHFFFAOYSA-N 0 3 284.359 3.129 20 30 CGEDHN N#Cc1cncc(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001144079837 804934354 /nfs/dbraw/zinc/93/43/54/804934354.db2.gz KPOQHRZITHKQOV-INIZCTEOSA-N 0 3 277.371 3.018 20 30 CGEDHN C=CCN(Cc1cncc(C#N)c1)C1CCCCC1 ZINC001144084817 804935612 /nfs/dbraw/zinc/93/56/12/804935612.db2.gz NVNCUAXBWKBFQB-UHFFFAOYSA-N 0 3 255.365 3.274 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](Oc3cccc(C)n3)C2)cc1 ZINC001144580777 805010915 /nfs/dbraw/zinc/01/09/15/805010915.db2.gz JFJNUNROQWZZKT-SFHVURJKSA-N 0 3 292.382 3.025 20 30 CGEDHN C=CCN(Cc1cccc(C(=O)OC)c1OC)C(C)(C)C ZINC001248927724 805045799 /nfs/dbraw/zinc/04/57/99/805045799.db2.gz QAUMRIIQYRCQGI-UHFFFAOYSA-N 0 3 291.391 3.268 20 30 CGEDHN C#CC[C@]1(c2nc(-c3cccc4occc43)no2)CCCN1 ZINC001249351805 805132872 /nfs/dbraw/zinc/13/28/72/805132872.db2.gz JSMSYDWUAONWBG-QGZVFWFLSA-N 0 3 293.326 3.085 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC4(CCOC4)CC3)[nH]c2c1 ZINC001249426037 805144846 /nfs/dbraw/zinc/14/48/46/805144846.db2.gz BRNXNYAZYKZZKF-UHFFFAOYSA-N 0 3 295.386 3.042 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C2)C1 ZINC001148436013 805181778 /nfs/dbraw/zinc/18/17/78/805181778.db2.gz CLPBJJHRMWRTAF-LSDHHAIUSA-N 0 3 292.467 3.025 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCCC(C)(C)C ZINC001153580980 805404723 /nfs/dbraw/zinc/40/47/23/805404723.db2.gz POKDONALVCIWKJ-OAHLLOKOSA-N 0 3 280.456 3.053 20 30 CGEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)N(C)C(C)C ZINC001167387013 807189030 /nfs/dbraw/zinc/18/90/30/807189030.db2.gz NEJIRXISZLAXDW-OAHLLOKOSA-N 0 3 280.456 3.310 20 30 CGEDHN C=C1C[C@@H]2CC(NCc3ncc(C)cn3)C[C@H](C1)C2 ZINC001257887349 807239055 /nfs/dbraw/zinc/23/90/55/807239055.db2.gz RASMYYHOSKZGOC-YIONKMFJSA-N 0 3 257.381 3.010 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N1CCC(C)(C#N)CC1 ZINC001168498169 807436278 /nfs/dbraw/zinc/43/62/78/807436278.db2.gz QWFHTTPZJPFICM-ZDUSSCGKSA-N 0 3 260.356 3.382 20 30 CGEDHN CC[C@H](CC#N)NC1CCN(c2cccc(F)c2)CC1 ZINC001258414636 807444300 /nfs/dbraw/zinc/44/43/00/807444300.db2.gz BOPVHOIOMIOSRZ-CQSZACIVSA-N 0 3 275.371 3.076 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168610105 807456304 /nfs/dbraw/zinc/45/63/04/807456304.db2.gz QCWZGKUHSJTOHX-HLLBOEOZSA-N 0 3 288.391 3.197 20 30 CGEDHN CCC[C@H](Cc1ccccc1)NC(=N)c1ccc(F)cn1 ZINC001258651430 807523339 /nfs/dbraw/zinc/52/33/39/807523339.db2.gz PSSKSMXZLNEIED-OAHLLOKOSA-N 0 3 285.366 3.337 20 30 CGEDHN CC(C)C1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001258798862 807620151 /nfs/dbraw/zinc/62/01/51/807620151.db2.gz DOUIWCYBPWSYLK-UHFFFAOYSA-N 0 3 263.360 3.141 20 30 CGEDHN C#C[C@H](NCc1c(C)c(C)c(C)c(C)c1C)[C@@H]1CCCO1 ZINC001169494630 807652196 /nfs/dbraw/zinc/65/21/96/807652196.db2.gz NAWWXFNENSXXEP-OALUTQOASA-N 0 3 285.431 3.499 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001169720383 807697515 /nfs/dbraw/zinc/69/75/15/807697515.db2.gz RGAXBYIZQLUVBL-ZIAGYGMSSA-N 0 3 286.847 3.051 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn(C)nc1C(F)F ZINC001261642330 807772731 /nfs/dbraw/zinc/77/27/31/807772731.db2.gz DVSDKPSOLGKBEG-TXEJJXNPSA-N 0 3 267.323 3.041 20 30 CGEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001170141867 807773949 /nfs/dbraw/zinc/77/39/49/807773949.db2.gz WXLMHXBPZPDBFF-HNNXBMFYSA-N 0 3 280.412 3.040 20 30 CGEDHN CCN(Cc1ccccc1F)C[C@@H](O)CC1(C#N)CCC1 ZINC001262077182 807817646 /nfs/dbraw/zinc/81/76/46/807817646.db2.gz VRGJXALXCLWVSP-HNNXBMFYSA-N 0 3 290.382 3.092 20 30 CGEDHN C[C@@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC001170376582 807831811 /nfs/dbraw/zinc/83/18/11/807831811.db2.gz QUURNJROUPSCAE-CCZBSFLLSA-N 0 3 298.430 3.500 20 30 CGEDHN CC[C@H](Cc1ccc2c(c1)OCO2)N[C@@H](CC)CC#N ZINC001170419292 807837491 /nfs/dbraw/zinc/83/74/91/807837491.db2.gz FGIMJMHYNDJNLP-UONOGXRCSA-N 0 3 274.364 3.018 20 30 CGEDHN C=C(C)CCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001262733336 807902478 /nfs/dbraw/zinc/90/24/78/807902478.db2.gz OMKCIOFFZGXGHK-UHFFFAOYSA-N 0 3 292.398 3.072 20 30 CGEDHN C=C[C@@H]1C[C@@]1(Nc1ccc2cnc(C)cc2c1)C(=O)OCC ZINC001170927566 807936933 /nfs/dbraw/zinc/93/69/33/807936933.db2.gz LFVLOKXUNIGGMT-QAPCUYQASA-N 0 3 296.370 3.463 20 30 CGEDHN C=C[C@@H](CC)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001263663501 807991073 /nfs/dbraw/zinc/99/10/73/807991073.db2.gz FVMRYOOYFDNMMT-GXSJLCMTSA-N 0 3 264.275 3.138 20 30 CGEDHN N=C(Nc1cccc(N)c1)c1ccc2cc(O)ccc2c1 ZINC001171182347 808002038 /nfs/dbraw/zinc/00/20/38/808002038.db2.gz JRAVUHLUNLSZIZ-UHFFFAOYSA-N 0 3 277.327 3.165 20 30 CGEDHN CNc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cn1 ZINC001171184537 808002240 /nfs/dbraw/zinc/00/22/40/808002240.db2.gz MRVCIWBETOMYEA-UHFFFAOYSA-N 0 3 292.342 3.019 20 30 CGEDHN Cc1ccc(C(=O)CN[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171190491 808004538 /nfs/dbraw/zinc/00/45/38/808004538.db2.gz VLEWLEZVRKNPSW-OAHLLOKOSA-N 0 3 292.382 3.270 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(CC)CCCC2)[C@H]1CC ZINC001264066216 808032201 /nfs/dbraw/zinc/03/22/01/808032201.db2.gz BZUYXHZOFHTXOR-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)C/C=C\Cl ZINC001265125910 808111162 /nfs/dbraw/zinc/11/11/62/808111162.db2.gz FFJUJWWWDCVMNQ-CLFYSBASSA-N 0 3 286.847 3.169 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC001171847814 808149144 /nfs/dbraw/zinc/14/91/44/808149144.db2.gz UCWYLAFUISFMOY-HIFRSBDPSA-N 0 3 279.424 3.395 20 30 CGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001265575757 808155698 /nfs/dbraw/zinc/15/56/98/808155698.db2.gz LLDFGRUMSIPWGG-SJORKVTESA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC(CC)CC)C1 ZINC001265708464 808172331 /nfs/dbraw/zinc/17/23/31/808172331.db2.gz OHWXKNVSJRYCTA-DOTOQJQBSA-N 0 3 292.467 3.053 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cccnc1Cl ZINC001172294932 808218805 /nfs/dbraw/zinc/21/88/05/808218805.db2.gz NWDOVLZUQNWHST-GFCCVEGCSA-N 0 3 285.778 3.327 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCCC[C@H](F)C1 ZINC001172316948 808226492 /nfs/dbraw/zinc/22/64/92/808226492.db2.gz YXHNZKBWASXFFI-CJNGLKHVSA-N 0 3 260.356 3.313 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001266362060 808250332 /nfs/dbraw/zinc/25/03/32/808250332.db2.gz XMEKKKFLUVWCSI-HOTGVXAUSA-N 0 3 280.456 3.215 20 30 CGEDHN C#CCCN1CCC[C@@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001266494839 808276010 /nfs/dbraw/zinc/27/60/10/808276010.db2.gz BGRWZCFOPIHNRR-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN(CCNC(=O)C1CCCCCC1)C1CC1 ZINC001266586314 808291912 /nfs/dbraw/zinc/29/19/12/808291912.db2.gz UGOFLLQLTRMZOR-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C[C@H](CCCC#N)n1nc(-c2ccccc2)cc1CN ZINC001172479189 808343973 /nfs/dbraw/zinc/34/39/73/808343973.db2.gz KKAJYKFEIMEJII-CYBMUJFWSA-N 0 3 268.364 3.264 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(Cc2ccc(F)cc2)CC1 ZINC001172492401 808351509 /nfs/dbraw/zinc/35/15/09/808351509.db2.gz KYXTVPXPGMRINJ-HNNXBMFYSA-N 0 3 289.398 3.026 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(c2noc3ccccc32)CC1 ZINC001172493880 808352830 /nfs/dbraw/zinc/35/28/30/808352830.db2.gz OUZLUQPHKGDAHR-AWEZNQCLSA-N 0 3 298.390 3.032 20 30 CGEDHN CCCCCCCC[C@@H](CC)N[C@@H]1C=CS(=O)(=O)C1 ZINC001172504646 808359951 /nfs/dbraw/zinc/35/99/51/808359951.db2.gz HNEGPMFVMSUFPZ-HUUCEWRRSA-N 0 3 287.469 3.416 20 30 CGEDHN C=CCN(CC)CCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001267256471 808396200 /nfs/dbraw/zinc/39/62/00/808396200.db2.gz YBYSMBALNOJLIF-ZDUSSCGKSA-N 0 3 294.826 3.068 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC001267279932 808403378 /nfs/dbraw/zinc/40/33/78/808403378.db2.gz NVWDQPRKUCRQMM-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)CCCC1CCCC1 ZINC001267283184 808404123 /nfs/dbraw/zinc/40/41/23/808404123.db2.gz JPWXSAFWQZEOTP-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)C1(C2CC2)CC1)c1ccccc1 ZINC001267520003 808437753 /nfs/dbraw/zinc/43/77/53/808437753.db2.gz IEQLNIVMOGYYEN-QGZVFWFLSA-N 0 3 298.430 3.200 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)CCCCCC(C)C)C1 ZINC001267617423 808459149 /nfs/dbraw/zinc/45/91/49/808459149.db2.gz GGWPHIOGGFTLMR-QGZVFWFLSA-N 0 3 292.467 3.197 20 30 CGEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCCC ZINC001267705318 808475198 /nfs/dbraw/zinc/47/51/98/808475198.db2.gz WCAHNCMXTQMQPI-IRXDYDNUSA-N 0 3 290.451 3.045 20 30 CGEDHN C=CC(C)(C)C(=O)NCCC1CCN(C[C@H](F)CC)CC1 ZINC001267945450 808519149 /nfs/dbraw/zinc/51/91/49/808519149.db2.gz LEVQQUMXIWFWJQ-OAHLLOKOSA-N 0 3 298.446 3.165 20 30 CGEDHN CCc1ccc(C[C@H](C)NCC2(C#N)CCC2)cc1 ZINC001173240166 808547501 /nfs/dbraw/zinc/54/75/01/808547501.db2.gz WCGDHPFVTZLCBN-AWEZNQCLSA-N 0 3 256.393 3.463 20 30 CGEDHN CCCC[C@@H](CC(C)C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001173255298 808562350 /nfs/dbraw/zinc/56/23/50/808562350.db2.gz HFBLBELTJAHBOY-IHRRRGAJSA-N 0 3 272.433 3.101 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCCC[C@H]1CC ZINC001268254221 808569603 /nfs/dbraw/zinc/56/96/03/808569603.db2.gz MFEQYVFWLSDSMD-CVEARBPZSA-N 0 3 280.456 3.169 20 30 CGEDHN COc1ccc2c(c1)c(CN)nn2C1CCC(CC#N)CC1 ZINC001173331436 808616469 /nfs/dbraw/zinc/61/64/69/808616469.db2.gz CQZWOXBJASKOGE-UHFFFAOYSA-N 0 3 298.390 3.149 20 30 CGEDHN C[C@@H](CC#N)NC1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173679450 808664605 /nfs/dbraw/zinc/66/46/05/808664605.db2.gz JPXJIWNVEYCXCL-YNEHKIRRSA-N 0 3 295.427 3.055 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](CC)CCCCC)C1 ZINC001269296803 808665095 /nfs/dbraw/zinc/66/50/95/808665095.db2.gz RKWNCWWAOJEVAT-SJORKVTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H](CNC[C@@H](F)CC)C1CCCC1 ZINC001270421682 808730218 /nfs/dbraw/zinc/73/02/18/808730218.db2.gz HJOAUZSSBPRIGE-GJZGRUSLSA-N 0 3 298.446 3.211 20 30 CGEDHN CC#CCNCCN(CC)C(=O)C[C@@H](C)C1CCCCC1 ZINC001273660512 808857971 /nfs/dbraw/zinc/85/79/71/808857971.db2.gz LEKRBJOYGCINNO-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)CCCCC)C[C@@H]1C ZINC001274663031 808881476 /nfs/dbraw/zinc/88/14/76/808881476.db2.gz QUJRNGKPMNWOBA-JKSUJKDBSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1csc(Cl)c1 ZINC001275151280 808916980 /nfs/dbraw/zinc/91/69/80/808916980.db2.gz ZACMONXUWOGPKE-GFCCVEGCSA-N 0 3 298.839 3.124 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001275458229 808937450 /nfs/dbraw/zinc/93/74/50/808937450.db2.gz ABMHDIYOSNMALL-VHSXEESVSA-N 0 3 293.238 3.000 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccccc1C1CCC1 ZINC001275986579 808981756 /nfs/dbraw/zinc/98/17/56/808981756.db2.gz LYJCCCQSSMQMLN-CQSZACIVSA-N 0 3 286.419 3.190 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](CC)C(C)C ZINC001277359254 809071007 /nfs/dbraw/zinc/07/10/07/809071007.db2.gz BRXMGBHUQHBNAJ-BBWFWOEESA-N 0 3 292.467 3.310 20 30 CGEDHN Cc1cnccc1Nc1ccc(Cl)c(F)c1C#N ZINC001174538950 809071353 /nfs/dbraw/zinc/07/13/53/809071353.db2.gz SYYUGOBKPFHZTO-UHFFFAOYSA-N 0 3 261.687 3.220 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001278645148 809148100 /nfs/dbraw/zinc/14/81/00/809148100.db2.gz NPLJXSZLDYQODL-UONOGXRCSA-N 0 3 298.446 3.163 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)C/C=C/c1ccc(C)cc1 ZINC001282504363 809253230 /nfs/dbraw/zinc/25/32/30/809253230.db2.gz OIYHIYOAYBYMOW-FYCOFBDGSA-N 0 3 286.419 3.021 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC001283191072 809272416 /nfs/dbraw/zinc/27/24/16/809272416.db2.gz HIJYLTNGRKETPZ-CHWSQXEVSA-N 0 3 288.863 3.296 20 30 CGEDHN C#CCCCCCCN1CCc2c(O)cccc2C1 ZINC001175148596 809289492 /nfs/dbraw/zinc/28/94/92/809289492.db2.gz MALAZBVJWYEYHA-UHFFFAOYSA-N 0 3 257.377 3.334 20 30 CGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCCCC(C)C)C1 ZINC001284015468 809292641 /nfs/dbraw/zinc/29/26/41/809292641.db2.gz SQGPEANZWASWPQ-IAGOWNOFSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CC=C(C)C)[C@H]1C ZINC001284128896 809297582 /nfs/dbraw/zinc/29/75/82/809297582.db2.gz DXQPKYYTMWSDSX-LSDHHAIUSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CCC1CCCCC1 ZINC001175195118 809303459 /nfs/dbraw/zinc/30/34/59/809303459.db2.gz STRAHOCXNRONME-UHFFFAOYSA-N 0 3 286.847 3.195 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C=C(CC)CC)C(C)C ZINC001284530883 809307394 /nfs/dbraw/zinc/30/73/94/809307394.db2.gz UFDAPBAZAMTRPA-UHFFFAOYSA-N 0 3 280.456 3.478 20 30 CGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](CC)CCC)CC1 ZINC001284699385 809316037 /nfs/dbraw/zinc/31/60/37/809316037.db2.gz HEJLRSILASWUHS-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001284995829 809320886 /nfs/dbraw/zinc/32/08/86/809320886.db2.gz SRTWGTIOAMLAHC-QGZVFWFLSA-N 0 3 292.467 3.383 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1c(C)cc(C)cc1C ZINC001175439229 809405496 /nfs/dbraw/zinc/40/54/96/809405496.db2.gz ITDZEOGPQGOWOT-UHFFFAOYSA-N 0 3 294.826 3.074 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@@H]1CCCCN1CCC ZINC001302189485 809591674 /nfs/dbraw/zinc/59/16/74/809591674.db2.gz JVNGMCLOWOJNSG-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN N#Cc1c(Cl)c(Cl)ccc1Nc1ncc[nH]1 ZINC001176085898 809620076 /nfs/dbraw/zinc/62/00/76/809620076.db2.gz UMDFBFRSRUXCAN-UHFFFAOYSA-N 0 3 253.092 3.332 20 30 CGEDHN C=CCCCN(CC)Cc1nc2ccccc2n1C ZINC001176798778 809762066 /nfs/dbraw/zinc/76/20/66/809762066.db2.gz XVSJWJSAWVDUIM-UHFFFAOYSA-N 0 3 257.381 3.361 20 30 CGEDHN C#C[C@@H]1CCCCN1C[C@H]1CC2(CO1)CCCCC2 ZINC001176832824 809763999 /nfs/dbraw/zinc/76/39/99/809763999.db2.gz JXVSGXVVWBBVDV-HZPDHXFCSA-N 0 3 261.409 3.214 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001185056943 810231668 /nfs/dbraw/zinc/23/16/68/810231668.db2.gz WMEFITXMXCJJOZ-DZGCQCFKSA-N 0 3 292.448 3.041 20 30 CGEDHN C=CCCCN1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001195474676 811258010 /nfs/dbraw/zinc/25/80/10/811258010.db2.gz ZGCRFVSIQXTJRB-UHFFFAOYSA-N 0 3 294.414 3.285 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cn(-c2ccccc2)nn1 ZINC001201653590 811933308 /nfs/dbraw/zinc/93/33/08/811933308.db2.gz AOEVZZVGPXMLGD-CQSZACIVSA-N 0 3 270.380 3.102 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccccc2Cl)no1 ZINC001206094822 813199778 /nfs/dbraw/zinc/19/97/78/813199778.db2.gz WRADXYWUAZGGNC-UHFFFAOYSA-N 0 3 289.766 3.499 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001206162378 813219314 /nfs/dbraw/zinc/21/93/14/813219314.db2.gz XGIYQWWCZVBSQC-BZUAXINKSA-N 0 3 280.456 3.215 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001206691677 813400353 /nfs/dbraw/zinc/40/03/53/813400353.db2.gz MZNODPPGPONREE-SGMGOOAPSA-N 0 3 258.340 3.223 20 30 CGEDHN CC(C)(O)CCCC1=CC[C@@H](CN2CC[C@@H](C#N)C2)CC1 ZINC001207413870 813560613 /nfs/dbraw/zinc/56/06/13/813560613.db2.gz STQKMFXGKGDTEM-SJORKVTESA-N 0 3 290.451 3.500 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCN(C(C)C)CC2)CC1 ZINC001208170860 813723759 /nfs/dbraw/zinc/72/37/59/813723759.db2.gz UXFLOHMTAAPVII-QGZVFWFLSA-N 0 3 262.441 3.315 20 30 CGEDHN CN1CC=C(Nc2cccc(C(F)(F)F)c2C#N)CC1 ZINC001208856629 813868611 /nfs/dbraw/zinc/86/86/11/813868611.db2.gz HNEYLVBRTGEGEJ-UHFFFAOYSA-N 0 3 281.281 3.208 20 30 CGEDHN C=CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001209200403 813964354 /nfs/dbraw/zinc/96/43/54/813964354.db2.gz IVGGHIGMUAFWFP-KBPBESRZSA-N 0 3 280.412 3.036 20 30 CGEDHN C=CCCCCN1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001209200830 813965397 /nfs/dbraw/zinc/96/53/97/813965397.db2.gz PIEJXFHGQVVRDI-GJZGRUSLSA-N 0 3 294.439 3.426 20 30 CGEDHN C=CCCCCCCCN1CCO[C@]2(CCOC2)C1 ZINC001209438476 814039031 /nfs/dbraw/zinc/03/90/31/814039031.db2.gz LXQULXAMUZWOTB-MRXNPFEDSA-N 0 3 267.413 3.004 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001211211947 814850341 /nfs/dbraw/zinc/85/03/41/814850341.db2.gz MYMQIFZICZYKAQ-BZUAXINKSA-N 0 3 280.456 3.215 20 30 CGEDHN CCc1cc(Nc2cccc(Cl)c2C#N)ccn1 ZINC001216126922 815707661 /nfs/dbraw/zinc/70/76/61/815707661.db2.gz JYSWIHOGDUONDZ-UHFFFAOYSA-N 0 3 257.724 3.335 20 30 CGEDHN C[C@H]1CCN[C@@H](C(=O)Nc2sc3ccccc3c2C#N)C1 ZINC001218648846 816249397 /nfs/dbraw/zinc/24/93/97/816249397.db2.gz LHLFEMBQCSOENR-GXFFZTMASA-N 0 3 299.399 3.100 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NCc1ccc(C=C)cc1 ZINC001220218867 816283870 /nfs/dbraw/zinc/28/38/70/816283870.db2.gz IEDUBSWZQKKVRH-KRWDZBQOSA-N 0 3 286.419 3.410 20 30 CGEDHN Cc1cc(C#N)cc(C)c1-c1ccc2[nH]c(N)nc2c1 ZINC001222663207 816494073 /nfs/dbraw/zinc/49/40/73/816494073.db2.gz MFEYGLMSQGYIFZ-UHFFFAOYSA-N 0 3 262.316 3.301 20 30 CGEDHN Cc1cc(C#N)cc(C)c1-c1ccc2nc(N)[nH]c2c1 ZINC001222663207 816494074 /nfs/dbraw/zinc/49/40/74/816494074.db2.gz MFEYGLMSQGYIFZ-UHFFFAOYSA-N 0 3 262.316 3.301 20 30 CGEDHN C=CC(C)(C)CC(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001223333790 816608407 /nfs/dbraw/zinc/60/84/07/816608407.db2.gz JEGGGYZHXAQSRQ-OAHLLOKOSA-N 0 3 298.446 3.165 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](CCC)C(C)C)C[C@@H]21 ZINC001223595689 816655348 /nfs/dbraw/zinc/65/53/48/816655348.db2.gz WRQGQXHQFUNKIM-IKGGRYGDSA-N 0 3 292.467 3.168 20 30 CGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001225247751 816978967 /nfs/dbraw/zinc/97/89/67/816978967.db2.gz VFEDUGSDYQZRQN-WMLDXEAASA-N 0 3 293.370 3.168 20 30 CGEDHN CC(C)N1CCC[C@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225726710 817158363 /nfs/dbraw/zinc/15/83/63/817158363.db2.gz HESNOEDPBHZUDK-ZDUSSCGKSA-N 0 3 278.783 3.463 20 30 CGEDHN CN1CCC(Oc2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001226585331 817405354 /nfs/dbraw/zinc/40/53/54/817405354.db2.gz LYSKHICWOGEIIC-UHFFFAOYSA-N 0 3 285.174 3.338 20 30 CGEDHN CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(C#N)ccc1[O-])C2 ZINC001227351742 817631344 /nfs/dbraw/zinc/63/13/44/817631344.db2.gz YNTCMIKLUINYJD-FICVDOATSA-N 0 3 286.375 3.046 20 30 CGEDHN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(C#N)ccc1[O-])C2 ZINC001227351742 817631349 /nfs/dbraw/zinc/63/13/49/817631349.db2.gz YNTCMIKLUINYJD-FICVDOATSA-N 0 3 286.375 3.046 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)CC ZINC001228296339 817866472 /nfs/dbraw/zinc/86/64/72/817866472.db2.gz SSACAYUSBNNRSU-CHWSQXEVSA-N 0 3 286.847 3.192 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC001231661702 818152410 /nfs/dbraw/zinc/15/24/10/818152410.db2.gz XYCGEDMHRBOZBP-LJQANCHMSA-N 0 3 289.378 3.373 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2nccc3ccccc32)CC1 ZINC001232248702 818291550 /nfs/dbraw/zinc/29/15/50/818291550.db2.gz VEFYDJKRMHMFIO-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN CN(CCc1cccc(Cl)c1)Cc1cc(C#N)ccn1 ZINC001232478652 818363826 /nfs/dbraw/zinc/36/38/26/818363826.db2.gz JGNPKEYMYUHORY-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN N#Cc1ccnc(CN2CC[C@@H](C3CCCCC3)C2)c1 ZINC001232478246 818364362 /nfs/dbraw/zinc/36/43/62/818364362.db2.gz IKCQAIZPIHFGHN-MRXNPFEDSA-N 0 3 269.392 3.355 20 30 CGEDHN C=CCN(Cc1ccnc(C(=O)OC)c1)C1CCCCC1 ZINC001232773982 818436218 /nfs/dbraw/zinc/43/62/18/818436218.db2.gz DEKLSXWXIWITBO-UHFFFAOYSA-N 0 3 288.391 3.189 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)c(F)cc1F ZINC001232784057 818439858 /nfs/dbraw/zinc/43/98/58/818439858.db2.gz GSUPACMLUUWGPJ-AWEZNQCLSA-N 0 3 295.354 3.047 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccn3)C2)s1 ZINC001232844087 818454714 /nfs/dbraw/zinc/45/47/14/818454714.db2.gz OBFABOKSSILVMU-CYBMUJFWSA-N 0 3 283.400 3.394 20 30 CGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2ncoc2c1 ZINC001232942625 818478872 /nfs/dbraw/zinc/47/88/72/818478872.db2.gz DMISXPOLWAZPPH-ZSOGYDGISA-N 0 3 267.332 3.094 20 30 CGEDHN Oc1ccc(CN2CCC(S)CC2)cc1OCC1CC1 ZINC001233227415 818544951 /nfs/dbraw/zinc/54/49/51/818544951.db2.gz FQUOPENQJJXZIZ-UHFFFAOYSA-N 0 3 293.432 3.075 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233562318 818643704 /nfs/dbraw/zinc/64/37/04/818643704.db2.gz YJNPMMBEHBLAPO-PJVYJYFWSA-N 0 3 278.440 3.232 20 30 CGEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001233799696 818706789 /nfs/dbraw/zinc/70/67/89/818706789.db2.gz AADRIRFSFVHBMX-QGZVFWFLSA-N 0 3 292.467 3.293 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001234537719 818877395 /nfs/dbraw/zinc/87/73/95/818877395.db2.gz QHUXSYYWRWYFKP-HNNXBMFYSA-N 0 3 298.446 3.261 20 30 CGEDHN C#C[C@H]1CCC[C@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234659966 818909389 /nfs/dbraw/zinc/90/93/89/818909389.db2.gz ASWGZJIRRXMTDX-QFBILLFUSA-N 0 3 298.430 3.009 20 30 CGEDHN COc1cccc2c(CN3CCC[C@H](CC#N)C3)ccnc12 ZINC001237118491 819671487 /nfs/dbraw/zinc/67/14/87/819671487.db2.gz XZDXYZYRGQWKHL-CQSZACIVSA-N 0 3 295.386 3.369 20 30 CGEDHN C=CCOc1ccccc1CN1CCNC2=CCCC[C@@H]21 ZINC001237224597 819702228 /nfs/dbraw/zinc/70/22/28/819702228.db2.gz GYDSSIDEHVJVOY-KRWDZBQOSA-N 0 3 284.403 3.093 20 30 CGEDHN C=CCOc1cccc(CN2CCNC3=CCCC[C@@H]32)c1 ZINC001237224278 819703317 /nfs/dbraw/zinc/70/33/17/819703317.db2.gz CXARGKZGLCQDFT-SFHVURJKSA-N 0 3 284.403 3.093 20 30 CGEDHN COc1c(C)cccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237514220 819769225 /nfs/dbraw/zinc/76/92/25/819769225.db2.gz SCWOEICZJAZLPC-MKZZRHPPSA-N 0 3 270.376 3.270 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237948725 819892446 /nfs/dbraw/zinc/89/24/46/819892446.db2.gz HFKONPFDGSBLSJ-SNVBAGLBSA-N 0 3 282.746 3.310 20 30 CGEDHN Cc1cc(F)cc(CN(C)Cc2ccc(C#N)cc2)c1O ZINC001238062876 819920824 /nfs/dbraw/zinc/92/08/24/819920824.db2.gz YMDUDXONDPHICB-UHFFFAOYSA-N 0 3 284.334 3.343 20 30 CGEDHN C[C@H]1CN(Cc2ccc(Cl)c(C#N)c2)CCC[C@]1(C)O ZINC001238188399 819950748 /nfs/dbraw/zinc/95/07/48/819950748.db2.gz CNVYDYAFJRPHQB-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN CCc1cc(CN2C[C@H]3[C@H](CC3(F)F)C2)ccc1C#N ZINC001238760963 820110158 /nfs/dbraw/zinc/11/01/58/820110158.db2.gz RAAOAQHVGARTSI-CABCVRRESA-N 0 3 276.330 3.208 20 30 CGEDHN CCCCCCCCNC(=S)N1CCN[C@H](C(C)C)C1 ZINC001239435294 820305497 /nfs/dbraw/zinc/30/54/97/820305497.db2.gz PPEYPZAXBQOOPS-HNNXBMFYSA-N 0 3 299.528 3.151 20 30 CGEDHN CN1CC=C(c2cc(C#C[Si](C)(C)C)ccn2)CC1 ZINC001241317111 821727212 /nfs/dbraw/zinc/72/72/12/821727212.db2.gz JQNFYGYYAJREBF-UHFFFAOYSA-N 0 3 270.452 3.029 20 30 CGEDHN N#CCc1ccc(C2=CCN(Cc3ccccc3)CC2)nc1 ZINC001241501652 821904433 /nfs/dbraw/zinc/90/44/33/821904433.db2.gz QWNYFRJZJUCETL-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN CS[C@@H]1CC[C@@H](N(C)Cc2csc(C#N)c2)C1 ZINC001335421071 936144413 /nfs/dbraw/zinc/14/44/13/936144413.db2.gz KVCAFQZDAKTKTE-VXGBXAGGSA-N 0 3 266.435 3.336 20 30 CGEDHN CC[C@H](N[C@H](C)c1cnn(C)c1C)c1cccc(C#N)c1 ZINC001339193695 936357490 /nfs/dbraw/zinc/35/74/90/936357490.db2.gz KCWCOMSCVAMGPZ-PXAZEXFGSA-N 0 3 282.391 3.402 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)cc1NCC ZINC001340236684 936400710 /nfs/dbraw/zinc/40/07/10/936400710.db2.gz WLJPMTIGHQBFJH-ZDUSSCGKSA-N 0 3 275.396 3.049 20 30 CGEDHN Cc1cnc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)c1 ZINC001340557624 936407972 /nfs/dbraw/zinc/40/79/72/936407972.db2.gz DEFFFONAXCKNJY-LBPRGKRZSA-N 0 3 290.326 3.065 20 30 CGEDHN C#CCN(CC)Cc1cc2ccnc(Cl)c2s1 ZINC001474383340 937855976 /nfs/dbraw/zinc/85/59/76/937855976.db2.gz ZGBMXVDFXVDFSP-UHFFFAOYSA-N 0 3 264.781 3.405 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1cc2cc(C)ccc2o1 ZINC001342222021 936462813 /nfs/dbraw/zinc/46/28/13/936462813.db2.gz ZFXCHIPNXGEUGT-HNNXBMFYSA-N 0 3 286.375 3.041 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC001342256608 936463481 /nfs/dbraw/zinc/46/34/81/936463481.db2.gz SIVPEUNJQFQSON-CABCVRRESA-N 0 3 292.810 3.127 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC001342267864 936464222 /nfs/dbraw/zinc/46/42/22/936464222.db2.gz HPOHEFFHBDWFHK-CHWSQXEVSA-N 0 3 273.380 3.203 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC001343188881 936490432 /nfs/dbraw/zinc/49/04/32/936490432.db2.gz RYHGVUGBKPHNIR-CABCVRRESA-N 0 3 292.810 3.127 20 30 CGEDHN N#CC(C(=O)CC1CCCCC1)c1cccc(F)n1 ZINC001343313140 936494409 /nfs/dbraw/zinc/49/44/09/936494409.db2.gz UZLQGLZSNRINLV-LBPRGKRZSA-N 0 3 260.312 3.367 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001343719329 936511453 /nfs/dbraw/zinc/51/14/53/936511453.db2.gz ZDILNFOJICASTC-HRCADAONSA-N 0 3 293.370 3.180 20 30 CGEDHN N#CC(C(=O)C[C@@H]1C=CCCC1)c1cccc(F)n1 ZINC001344622134 936540372 /nfs/dbraw/zinc/54/03/72/936540372.db2.gz QGLHDESWZJTNBS-NEPJUHHUSA-N 0 3 258.296 3.143 20 30 CGEDHN C[C@]1(C(=O)C(C#N)c2ncc(F)cc2F)CC=CCC1 ZINC001344983841 936796364 /nfs/dbraw/zinc/79/63/64/936796364.db2.gz NIOCPUWYFQDIOQ-ABAIWWIYSA-N 0 3 276.286 3.282 20 30 CGEDHN CCn1cccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001345071737 936799786 /nfs/dbraw/zinc/79/97/86/936799786.db2.gz RIMCVTFPRONGEY-LLVKDONJSA-N 0 3 285.372 3.332 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCC1CCCC1 ZINC001346095526 936837665 /nfs/dbraw/zinc/83/76/65/936837665.db2.gz FMQREPBOPZUBSB-LLVKDONJSA-N 0 3 279.771 3.220 20 30 CGEDHN N#CC(C(=O)CCc1cccs1)c1cccc(F)n1 ZINC001347125530 936871388 /nfs/dbraw/zinc/87/13/88/936871388.db2.gz WAYDNWAUPPKCPI-NSHDSACASA-N 0 3 274.320 3.091 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1ccncc1 ZINC001353591277 937071143 /nfs/dbraw/zinc/07/11/43/937071143.db2.gz IYOXUNLKQLEJAM-MRXNPFEDSA-N 0 3 291.439 3.118 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NC[C@]1(C)CC1(F)F ZINC001354274559 937097424 /nfs/dbraw/zinc/09/74/24/937097424.db2.gz VULLTTSSGSLBLL-OCCSQVGLSA-N 0 3 290.398 3.226 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1ccc(C2CCC2)cc1 ZINC001480979545 926851376 /nfs/dbraw/zinc/85/13/76/926851376.db2.gz MRGWIGRXCNGBJO-UHFFFAOYSA-N 0 3 286.419 3.192 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1ccc(C)cc1)c1ccccc1 ZINC001481372969 926971109 /nfs/dbraw/zinc/97/11/09/926971109.db2.gz SSWCBMODTMHDHM-SFHVURJKSA-N 0 3 294.398 3.242 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](CCNCC(=C)Cl)C1 ZINC001481979929 927122370 /nfs/dbraw/zinc/12/23/70/927122370.db2.gz VHMLHBMLVNNZOK-AWEZNQCLSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(C)(CC)CC ZINC001482900435 927376598 /nfs/dbraw/zinc/37/65/98/927376598.db2.gz HJQUZYUENNBVMW-LBPRGKRZSA-N 0 3 274.836 3.050 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCO[C@H]1C ZINC001473118709 937164416 /nfs/dbraw/zinc/16/44/16/937164416.db2.gz QSRIXEPGSPINRE-UONOGXRCSA-N 0 3 263.356 3.239 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NC/C=C/Cl)C(C)(C)C1 ZINC001507445074 927508014 /nfs/dbraw/zinc/50/80/14/927508014.db2.gz VASWOICXJMDNRZ-SBDDDAINSA-N 0 3 298.858 3.168 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001483658118 927561959 /nfs/dbraw/zinc/56/19/59/927561959.db2.gz GLTRGVRXFPBXCD-IRXDYDNUSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001483662416 927562520 /nfs/dbraw/zinc/56/25/20/927562520.db2.gz UYYGTXADRZPBKH-HOCLYGCPSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC001357945298 937183920 /nfs/dbraw/zinc/18/39/20/937183920.db2.gz MNWFZJYKOZYMRZ-MRXNPFEDSA-N 0 3 291.439 3.310 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)s2)C1 ZINC001484150569 927683308 /nfs/dbraw/zinc/68/33/08/927683308.db2.gz LTTGWKFFRYSHRI-INIZCTEOSA-N 0 3 292.448 3.074 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001485484800 927882234 /nfs/dbraw/zinc/88/22/34/927882234.db2.gz LNRVXNUXLDWNKX-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C2(CC(C)C)CCC2)CC1 ZINC001486511559 928030310 /nfs/dbraw/zinc/03/03/10/928030310.db2.gz UKBXGGIRHXGFLB-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCN(C[C@@H](F)CC)CC(C)(C)C1 ZINC001489343664 928330591 /nfs/dbraw/zinc/33/05/91/928330591.db2.gz IPOLYQLKEFILEU-LSDHHAIUSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C2(F)CCCC2)CC1 ZINC001490617045 928377912 /nfs/dbraw/zinc/37/79/12/928377912.db2.gz IRBNRTWZCSRVAY-UHFFFAOYSA-N 0 3 296.430 3.158 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)C2CCC2)CC1 ZINC001490617794 928378103 /nfs/dbraw/zinc/37/81/03/928378103.db2.gz QQBQPRXJJAQREN-OAHLLOKOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001490784407 928389895 /nfs/dbraw/zinc/38/98/95/928389895.db2.gz MRNOGDSASCUBCP-IYBDPMFKSA-N 0 3 278.440 3.064 20 30 CGEDHN Cc1ncc(Nc2cccc(C3(C#N)CC3)c2)n1C ZINC001213317946 928730590 /nfs/dbraw/zinc/73/05/90/928730590.db2.gz BNUYWJUNNLMRAS-UHFFFAOYSA-N 0 3 252.321 3.027 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001490932280 928817533 /nfs/dbraw/zinc/81/75/33/928817533.db2.gz OEVBPGYFDFQEFB-IHRRRGAJSA-N 0 3 286.847 3.048 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001491216051 928844569 /nfs/dbraw/zinc/84/45/69/928844569.db2.gz XJTIVXKIYKUMHU-FUHWJXTLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCC[C@@H](NC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001446505573 937363645 /nfs/dbraw/zinc/36/36/45/937363645.db2.gz NMOOFQKONAEWPY-OAHLLOKOSA-N 0 3 283.375 3.084 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC001460070987 937514308 /nfs/dbraw/zinc/51/43/08/937514308.db2.gz MFTJXQVKDDAKBU-HXUWFJFHSA-N 0 3 293.410 3.472 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cnc(OC)c2ccccc12 ZINC001460904342 937551899 /nfs/dbraw/zinc/55/18/99/937551899.db2.gz GCJDDNFCBFMVKB-AWEZNQCLSA-N 0 3 268.360 3.394 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC001460826711 937547237 /nfs/dbraw/zinc/54/72/37/937547237.db2.gz OQCMYSNKAHBGMK-BXUZGUMPSA-N 0 3 295.810 3.253 20 30 CGEDHN N#Cc1ccc(F)cc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001230637110 932602550 /nfs/dbraw/zinc/60/25/50/932602550.db2.gz UAFTYPXZJMFTMT-QGZVFWFLSA-N 0 3 296.345 3.351 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001230762009 932620043 /nfs/dbraw/zinc/62/00/43/932620043.db2.gz DVZYYPUJVWRVLO-CABCVRRESA-N 0 3 290.407 3.089 20 30 CGEDHN Cc1cccnc1[C@H](N[C@H]1CC[C@H](C#N)C1)C1CC1 ZINC001254642824 932724458 /nfs/dbraw/zinc/72/44/58/932724458.db2.gz LDYFCKFADPTVLG-DUVNUKRYSA-N 0 3 255.365 3.123 20 30 CGEDHN C=CCCC(=O)NCCN(C)Cc1ccc(C(C)C)cc1 ZINC001492213958 932811283 /nfs/dbraw/zinc/81/12/83/932811283.db2.gz REEYIRCLIBVWGK-UHFFFAOYSA-N 0 3 288.435 3.324 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)c1cc(C)c(C)cc1Cl ZINC001492370369 932815294 /nfs/dbraw/zinc/81/52/94/932815294.db2.gz SHKLRBKZIGDHLV-UHFFFAOYSA-N 0 3 294.826 3.195 20 30 CGEDHN CCCCCCN([O-])C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001306896756 932890155 /nfs/dbraw/zinc/89/01/55/932890155.db2.gz LAVRASVABGKKDL-CQSZACIVSA-N 0 3 270.417 3.049 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C)c(OC)n2)C1 ZINC001462416874 937639459 /nfs/dbraw/zinc/63/94/59/937639459.db2.gz SZOUBLCIKIYZKW-CQSZACIVSA-N 0 3 260.381 3.187 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2c(OC)cc(F)cc2OC)C1 ZINC001462461033 937643063 /nfs/dbraw/zinc/64/30/63/937643063.db2.gz MDTUDJCLHALUNI-GFCCVEGCSA-N 0 3 279.355 3.241 20 30 CGEDHN CCC#C[C@H](C)N1CCC(N(C)c2ccccc2)CC1 ZINC001307517059 932964713 /nfs/dbraw/zinc/96/47/13/932964713.db2.gz SAYRKCKEODAYIM-INIZCTEOSA-N 0 3 270.420 3.389 20 30 CGEDHN C=CCN(C)CCN(CC)CC#Cc1ccccc1Cl ZINC001307728684 932992842 /nfs/dbraw/zinc/99/28/42/932992842.db2.gz GGGUZEMMWUMMOJ-UHFFFAOYSA-N 0 3 290.838 3.131 20 30 CGEDHN C=CC[C@H]1N(CC(=O)NCC(C)(C)C)CCCC1(C)C ZINC001307729375 932993407 /nfs/dbraw/zinc/99/34/07/932993407.db2.gz LVDILQJVLXFTSB-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN CC(C)C[C@H](C)CN1CCN(c2ccsc2C#N)CC1 ZINC001307928203 933022954 /nfs/dbraw/zinc/02/29/54/933022954.db2.gz WWSQDZHVZHWOII-AWEZNQCLSA-N 0 3 291.464 3.424 20 30 CGEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC[C@H](F)CC ZINC001316704898 933468404 /nfs/dbraw/zinc/46/84/04/933468404.db2.gz UWCQHQZINYVDIA-OAGGEKHMSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCCCC(=O)NC[C@H](C)NCc1cc(C)ccc1F ZINC001317268367 933566035 /nfs/dbraw/zinc/56/60/35/933566035.db2.gz MQDFZNNVEYANLA-AWEZNQCLSA-N 0 3 292.398 3.085 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001317401315 933585945 /nfs/dbraw/zinc/58/59/45/933585945.db2.gz QKOCIXTXRDGNMM-ZQDZILKHSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CC1(CC(=O)NCCN(C)CC[C@H](C)F)CCCCC1 ZINC001317463428 933597913 /nfs/dbraw/zinc/59/79/13/933597913.db2.gz BOGKFTNAVOITEG-HNNXBMFYSA-N 0 3 298.446 3.309 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)CC(C)(F)F)c1ccccc1 ZINC001317724507 933638748 /nfs/dbraw/zinc/63/87/48/933638748.db2.gz NGDHHUNFTZWGBY-AWEZNQCLSA-N 0 3 296.361 3.055 20 30 CGEDHN C=C(Cl)CNC[C@]1(NC(=O)C=C(C)C)CCCC[C@@H]1C ZINC001318738992 933771403 /nfs/dbraw/zinc/77/14/03/933771403.db2.gz AFRVYDBXLNTJBB-XJKSGUPXSA-N 0 3 298.858 3.360 20 30 CGEDHN C#CCN(Cc1ccc(SC)c(OC)c1)CC1CC1 ZINC001319446733 933877531 /nfs/dbraw/zinc/87/75/31/933877531.db2.gz WMRQEKQZTVZKOR-UHFFFAOYSA-N 0 3 275.417 3.262 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cccc(OC(C)C)c2)C1 ZINC001320037458 933985803 /nfs/dbraw/zinc/98/58/03/933985803.db2.gz FHXCRVOXZICAAC-KRWDZBQOSA-N 0 3 275.392 3.251 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC001321242133 934168464 /nfs/dbraw/zinc/16/84/64/934168464.db2.gz UQKCLVRIJNMUHB-ZYHUDNBSSA-N 0 3 289.297 3.437 20 30 CGEDHN CN(C)[C@@H](CNc1cccc(CC#N)n1)c1ccc(F)cc1 ZINC001322617348 934321588 /nfs/dbraw/zinc/32/15/88/934321588.db2.gz JSDDKVIURAQMSQ-INIZCTEOSA-N 0 3 298.365 3.002 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001323243876 934375668 /nfs/dbraw/zinc/37/56/68/934375668.db2.gz UIQFQEQSDMNPRT-LSDHHAIUSA-N 0 3 280.456 3.214 20 30 CGEDHN C=CCCCC(=O)NC[C@@H]1CCN1CCCC(C)(C)C ZINC001323293816 934382800 /nfs/dbraw/zinc/38/28/00/934382800.db2.gz OTLYPQLKIRWGLK-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCC(=O)NCC1(NCc2ccc(C3CC3)cc2)CC1 ZINC001323406702 934395548 /nfs/dbraw/zinc/39/55/48/934395548.db2.gz STQZFEGXJWJEDF-UHFFFAOYSA-N 0 3 298.430 3.269 20 30 CGEDHN C[C@@H]1CN(CC2(CC#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283666 937800158 /nfs/dbraw/zinc/80/01/58/937800158.db2.gz SKDXDOCUMLLRNS-SJORKVTESA-N 0 3 297.446 3.275 20 30 CGEDHN C[C@@H]1CN(CC2(CC#N)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001473283663 937800212 /nfs/dbraw/zinc/80/02/12/937800212.db2.gz SKDXDOCUMLLRNS-IAGOWNOFSA-N 0 3 297.446 3.275 20 30 CGEDHN C#CC(C)(C)N(C)CCOc1ccc(F)cc1Cl ZINC001473379296 937803689 /nfs/dbraw/zinc/80/36/89/937803689.db2.gz VTONCWVGNQSBKY-UHFFFAOYSA-N 0 3 269.747 3.202 20 30 CGEDHN N#CC1CCN(CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001324872786 934867412 /nfs/dbraw/zinc/86/74/12/934867412.db2.gz QIWXJFMJZLBOAY-UHFFFAOYSA-N 0 3 298.308 3.363 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2=CCCCCC2)C1 ZINC001324929045 934873529 /nfs/dbraw/zinc/87/35/29/934873529.db2.gz TWMPMAXLRYRUHC-GOSISDBHSA-N 0 3 290.451 3.281 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC001325303893 934902618 /nfs/dbraw/zinc/90/26/18/934902618.db2.gz VHVKMKHINBSDFC-QGZVFWFLSA-N 0 3 297.402 3.162 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CCC)C(C)C ZINC001325925387 934939086 /nfs/dbraw/zinc/93/90/86/934939086.db2.gz ZRWZHWZCHGKBKO-GVDBMIGSSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC(C)C ZINC001325923149 934939422 /nfs/dbraw/zinc/93/94/22/934939422.db2.gz VGXGZPZXLXSVLD-JKSUJKDBSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CC[C@H]1CCCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001473628074 937814824 /nfs/dbraw/zinc/81/48/24/937814824.db2.gz ZOOQEGVMHPXPKF-RDJZCZTQSA-N 0 3 284.403 3.080 20 30 CGEDHN CCOc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1OC ZINC001326241195 934962381 /nfs/dbraw/zinc/96/23/81/934962381.db2.gz WGBOAYJGQVOAMR-ZFWWWQNUSA-N 0 3 288.391 3.218 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001329573942 935229609 /nfs/dbraw/zinc/22/96/09/935229609.db2.gz NVTQTOFMZFVQII-ZBFHGGJFSA-N 0 3 280.456 3.215 20 30 CGEDHN CC[C@@H](Cc1ccc(F)cc1)NC[C@H](C#N)CCC#N ZINC001336795203 936217820 /nfs/dbraw/zinc/21/78/20/936217820.db2.gz SVBYEINRNCQELE-HOCLYGCPSA-N 0 3 273.355 3.180 20 30 CGEDHN C=CCCC[C@@H](NC(=O)[C@@H](N)CC1CC1)c1ccccc1 ZINC001337069702 936235815 /nfs/dbraw/zinc/23/58/15/936235815.db2.gz YJHVLWNOAJCMLV-DLBZAZTESA-N 0 3 286.419 3.328 20 30 CGEDHN C#CCCOc1ccc(CNCc2cccc(C#C)c2)cc1 ZINC001474178282 937842939 /nfs/dbraw/zinc/84/29/39/937842939.db2.gz DQICQZPRELHXLM-UHFFFAOYSA-N 0 3 289.378 3.360 20 30 CGEDHN O[C@H](CNCC#Cc1ccccc1)c1ccc(Cl)cc1 ZINC001474544564 937865615 /nfs/dbraw/zinc/86/56/15/937865615.db2.gz IDMXWBDJWXJPAU-QGZVFWFLSA-N 0 3 285.774 3.015 20 30 CGEDHN C=C(C)CCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC001478675266 937908915 /nfs/dbraw/zinc/90/89/15/937908915.db2.gz TWGMPFUDSBXVNU-UHFFFAOYSA-N 0 3 295.471 3.106 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C[C@@H](C)CC(C)C)CC1 ZINC001479894499 937928607 /nfs/dbraw/zinc/92/86/07/937928607.db2.gz UMRWBFFFPLCDGV-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(CCNC(=O)C[C@@H](C)CC(C)(C)C)C1CC1 ZINC001493414614 937950189 /nfs/dbraw/zinc/95/01/89/937950189.db2.gz DNRZQBVKNJILQP-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CC(C)C ZINC001494676146 937955824 /nfs/dbraw/zinc/95/58/24/937955824.db2.gz VHELNPMRLJXGEL-ULQDDVLXSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)CC1=CCCCC1)C(C)C ZINC001496536968 937963031 /nfs/dbraw/zinc/96/30/31/937963031.db2.gz KLBNUHDSBIMQIF-OAHLLOKOSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C1(C)CCCCCC1 ZINC001496718224 937963679 /nfs/dbraw/zinc/96/36/79/937963679.db2.gz KRISHEGXEJLOFC-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1CC/C=C\CC ZINC001499059052 937972252 /nfs/dbraw/zinc/97/22/52/937972252.db2.gz ZNESFKSWCPMGTF-KUBOQAQJSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C(C)(CC)CC ZINC001499123911 937972718 /nfs/dbraw/zinc/97/27/18/937972718.db2.gz FQFWFQUMPHHQPN-GJZGRUSLSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001502823924 937983382 /nfs/dbraw/zinc/98/33/82/937983382.db2.gz QNLMKHGMQZQGBM-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001505678404 937986569 /nfs/dbraw/zinc/98/65/69/937986569.db2.gz NQCWZBFBQBDVGA-MNOVXSKESA-N 0 3 293.238 3.145 20 30 CGEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCCCC(C)C ZINC001506575047 937990834 /nfs/dbraw/zinc/99/08/34/937990834.db2.gz JMWBNWVWNIJBPM-QGZVFWFLSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CCCN(CC(=C)C)[C@H]1C ZINC001507381639 937995616 /nfs/dbraw/zinc/99/56/16/937995616.db2.gz JUENCULYWASLSX-IYSULOHHSA-N 0 3 276.424 3.054 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC1C2CC3CC(C2)CC1C3 ZINC001515837602 938007533 /nfs/dbraw/zinc/00/75/33/938007533.db2.gz PQRMHXDMSRVGRK-RZBMREITSA-N 0 3 297.402 3.059 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001521872326 938034967 /nfs/dbraw/zinc/03/49/67/938034967.db2.gz PXUAAGYKYZVNHV-HZMBPMFUSA-N 0 3 298.789 3.340 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1ccccc1F ZINC001526594962 938056569 /nfs/dbraw/zinc/05/65/69/938056569.db2.gz STNHPQVYMMLOMA-OCCSQVGLSA-N 0 3 299.349 3.097 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccsc1 ZINC001526594911 938056622 /nfs/dbraw/zinc/05/66/22/938056622.db2.gz RVNJLWFOFYEALI-ZDUSSCGKSA-N 0 3 287.388 3.164 20 30 CGEDHN CCC(C)(CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001527018648 938059881 /nfs/dbraw/zinc/05/98/81/938059881.db2.gz BZKXHFRFSJECSN-JTQLQIEISA-N 0 3 266.291 3.362 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CCC)C1 ZINC001557407877 938209797 /nfs/dbraw/zinc/20/97/97/938209797.db2.gz UHGSXIIKHXVGQZ-HOTGVXAUSA-N 0 3 278.440 3.066 20 30 CGEDHN N#Cc1ccccc1N1CCN(CCCC2CCC2)CC1 ZINC001559516378 938228118 /nfs/dbraw/zinc/22/81/18/938228118.db2.gz ONUVGZCCOKESCO-UHFFFAOYSA-N 0 3 283.419 3.261 20 30 CGEDHN CCC#C[C@@H](C)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001559519253 938228144 /nfs/dbraw/zinc/22/81/44/938228144.db2.gz XKKGLIGOGXFQQF-CABCVRRESA-N 0 3 294.439 3.025 20 30 CGEDHN C=CC[C@@H](C)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001559765347 938234845 /nfs/dbraw/zinc/23/48/45/938234845.db2.gz YRBOZENDCWBRNQ-KFWWJZLASA-N 0 3 294.439 3.425 20 30 CGEDHN C#Cc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC001560840557 938278645 /nfs/dbraw/zinc/27/86/45/938278645.db2.gz UNLKRWMPLQSCFE-UHFFFAOYSA-N 0 3 286.378 3.381 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001574908547 960470032 /nfs/dbraw/zinc/47/00/32/960470032.db2.gz SKMRHYHXDRUDEE-LBPRGKRZSA-N 0 3 286.297 3.328 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001596319170 960536713 /nfs/dbraw/zinc/53/67/13/960536713.db2.gz HBTZIKNNQNTIKW-KRWDZBQOSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001565828334 960831412 /nfs/dbraw/zinc/83/14/12/960831412.db2.gz MKSSSQRYXRUMIX-SFHVURJKSA-N 0 3 298.430 3.442 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001565829347 960833949 /nfs/dbraw/zinc/83/39/49/960833949.db2.gz DQTIRAQNGLHMNX-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCCC(=O)N1CCCCC[C@@H](NCC(=C)Cl)C1 ZINC001566071724 960878565 /nfs/dbraw/zinc/87/85/65/960878565.db2.gz NMUGIHGUBZTQPO-OAHLLOKOSA-N 0 3 298.858 3.456 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001566700121 960990627 /nfs/dbraw/zinc/99/06/27/960990627.db2.gz SKFJMYDQQZTVIH-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C[C@H]1CC=CCC1)c1ccccc1 ZINC001567663934 961387376 /nfs/dbraw/zinc/38/73/76/961387376.db2.gz TXGLWMRJJBLTPT-WMZOPIPTSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C(C)=C1CCC1)C1CC1 ZINC001568020199 961494916 /nfs/dbraw/zinc/49/49/16/961494916.db2.gz RVGIKFKWEHXVIO-INIZCTEOSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC1CCC1 ZINC001568380161 961566923 /nfs/dbraw/zinc/56/69/23/961566923.db2.gz DSNPOBXWRYTGSW-HNNXBMFYSA-N 0 3 298.858 3.290 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@@H](C)c1ccccc1C ZINC001568497634 961591552 /nfs/dbraw/zinc/59/15/52/961591552.db2.gz LHFAPWUBCNLHIR-MRXNPFEDSA-N 0 3 288.435 3.065 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1CCCCCC1 ZINC001568611533 961624688 /nfs/dbraw/zinc/62/46/88/961624688.db2.gz HOOQCKUOVYVUOS-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001569328592 961740211 /nfs/dbraw/zinc/74/02/11/961740211.db2.gz QKNMBKPZLGHCOC-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001569383809 961757500 /nfs/dbraw/zinc/75/75/00/961757500.db2.gz XZVVTTCWFXKLNA-WMZOPIPTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCC1CC1 ZINC001570025452 961882673 /nfs/dbraw/zinc/88/26/73/961882673.db2.gz HFDYBZGPGYPOOR-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2=CCCC2)cc1 ZINC001570030458 961883049 /nfs/dbraw/zinc/88/30/49/961883049.db2.gz UQAHXRQHIBDYKS-OAHLLOKOSA-N 0 3 296.414 3.087 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@H]1C=CCC1 ZINC001570669468 962036074 /nfs/dbraw/zinc/03/60/74/962036074.db2.gz ZARDCUCEVRGMBT-AWEZNQCLSA-N 0 3 298.858 3.169 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001570905075 962106393 /nfs/dbraw/zinc/10/63/93/962106393.db2.gz MSLHKYTXPAHKGV-HNNXBMFYSA-N 0 3 292.467 3.382 20 30 CGEDHN C#CCCN(C)CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)C(C)C ZINC001571614016 962189197 /nfs/dbraw/zinc/18/91/97/962189197.db2.gz RJRIUNNZHZXJAH-IAGOWNOFSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)c1cccc(NC(=O)[C@H](N)CCC(C)C)c1 ZINC001574849569 962317431 /nfs/dbraw/zinc/31/74/31/962317431.db2.gz QACMTLVOMMLQKW-OAHLLOKOSA-N 0 3 260.381 3.422 20 30 CGEDHN C=C(C)c1cccc(NC(=O)[C@@H](N)CCC(C)C)c1 ZINC001574849568 962325711 /nfs/dbraw/zinc/32/57/11/962325711.db2.gz QACMTLVOMMLQKW-HNNXBMFYSA-N 0 3 260.381 3.422 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001574903707 962327390 /nfs/dbraw/zinc/32/73/90/962327390.db2.gz VAOUNNXMJZVASY-XHSDSOJGSA-N 0 3 292.467 3.345 20 30 CGEDHN C=CCOc1cccc(CNCc2cccc(N)c2)c1 ZINC001574947819 962329290 /nfs/dbraw/zinc/32/92/90/962329290.db2.gz OSEJPGOOEBDCJP-UHFFFAOYSA-N 0 3 268.360 3.123 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc2ccccc2c1 ZINC001574908211 962330299 /nfs/dbraw/zinc/33/02/99/962330299.db2.gz HSYBPBLZJAOZAP-GOSISDBHSA-N 0 3 296.414 3.182 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(C(C)C)cc1 ZINC001574908118 962331540 /nfs/dbraw/zinc/33/15/40/962331540.db2.gz DTHFTBNNGHJPBO-MRXNPFEDSA-N 0 3 274.408 3.110 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CC(C)(C)CCC1(C)C ZINC001574901478 962335998 /nfs/dbraw/zinc/33/59/98/962335998.db2.gz JQMIKYQZHJZMOI-CYBMUJFWSA-N 0 3 266.429 3.097 20 30 CGEDHN CC(C)[C@@H](N)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001575820509 962407567 /nfs/dbraw/zinc/40/75/67/962407567.db2.gz GWRJJUQUFFYOON-MRXNPFEDSA-N 0 3 298.411 3.070 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588456225 963279397 /nfs/dbraw/zinc/27/93/97/963279397.db2.gz JCTAXXJXKGZTSS-WQVCFCJDSA-N 0 3 295.390 3.111 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588456225 963279412 /nfs/dbraw/zinc/27/94/12/963279412.db2.gz JCTAXXJXKGZTSS-WQVCFCJDSA-N 0 3 295.390 3.111 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588456225 963279426 /nfs/dbraw/zinc/27/94/26/963279426.db2.gz JCTAXXJXKGZTSS-WQVCFCJDSA-N 0 3 295.390 3.111 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588456225 963279440 /nfs/dbraw/zinc/27/94/40/963279440.db2.gz JCTAXXJXKGZTSS-WQVCFCJDSA-N 0 3 295.390 3.111 20 30 CGEDHN C=C(CC)CNCc1ccnn1CCc1ccccc1 ZINC000621360056 349507248 /nfs/dbraw/zinc/50/72/48/349507248.db2.gz DVCBDRHOCMNZDW-UHFFFAOYSA-N 0 3 269.392 3.182 20 30 CGEDHN COc1ccc(CNc2cccc(CN(C)C)c2)cc1C#N ZINC000124957829 187163424 /nfs/dbraw/zinc/16/34/24/187163424.db2.gz TXOVXBVLUMRQRO-UHFFFAOYSA-N 0 3 295.386 3.241 20 30 CGEDHN N#Cc1ccc(OCCN2CCC(C3CC3)CC2)cc1 ZINC000590008644 346821775 /nfs/dbraw/zinc/82/17/75/346821775.db2.gz OABPYXOYZDNOSA-UHFFFAOYSA-N 0 3 270.376 3.059 20 30 CGEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc[nH]c(=O)c1 ZINC000590259526 346838847 /nfs/dbraw/zinc/83/88/47/346838847.db2.gz CZXJCORWNFBNOR-SJCJKPOMSA-N 0 3 293.370 3.387 20 30 CGEDHN COc1cccc(CN[C@H]2CC[C@@H](CC#N)C2)c1F ZINC000590656407 346860177 /nfs/dbraw/zinc/86/01/77/346860177.db2.gz SEFRAWOGPHGDJP-AAEUAGOBSA-N 0 3 262.328 3.006 20 30 CGEDHN CC(C)n1cc(C2=CCCN([C@@H]3CC[C@@H](C#N)C3)CC2)nn1 ZINC000590659207 346860791 /nfs/dbraw/zinc/86/07/91/346860791.db2.gz YHZZZIQENIGTAN-GDBMZVCRSA-N 0 3 299.422 3.030 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000651811378 398290870 /nfs/dbraw/zinc/29/08/70/398290870.db2.gz PSDAXSOMZNEPSP-GXTWGEPZSA-N 0 3 276.355 3.099 20 30 CGEDHN C[C@H](NC[C@@H](O)[C@@H](C)c1ccccc1)c1cccc(C#N)c1 ZINC000590712586 346866913 /nfs/dbraw/zinc/86/69/13/346866913.db2.gz PHGVPXCZZXDVKV-YZVOILCLSA-N 0 3 294.398 3.373 20 30 CGEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849975 346943095 /nfs/dbraw/zinc/94/30/95/346943095.db2.gz GZCXSGOAEMORSY-QGZVFWFLSA-N 0 3 285.435 3.014 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)[C@@H](C)c1ccccc1 ZINC000592098307 346962307 /nfs/dbraw/zinc/96/23/07/346962307.db2.gz OLLOUBPWCKPSSN-KGLIPLIRSA-N 0 3 265.360 3.235 20 30 CGEDHN N#CC[C@]1(O)CCN(Cc2ccc(-c3cccs3)cc2)C1 ZINC000592154518 346967956 /nfs/dbraw/zinc/96/79/56/346967956.db2.gz SKHGFVOREFTYMA-KRWDZBQOSA-N 0 3 298.411 3.266 20 30 CGEDHN C[C@H]1CC2(CN1Cc1ccc(F)c(C#N)c1)CCOCC2 ZINC000592181545 346969377 /nfs/dbraw/zinc/96/93/77/346969377.db2.gz HPTCSCZJFUSBIR-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1ccc(NC(=O)CN2CCCC[C@H]2C2CCC2)cc1 ZINC000592198272 346971422 /nfs/dbraw/zinc/97/14/22/346971422.db2.gz NTYJLWVQJPESEV-KRWDZBQOSA-N 0 3 297.402 3.151 20 30 CGEDHN CC(C)C[C@@H](NCC1(CC#N)CC1)c1ccncc1 ZINC000592390066 346981609 /nfs/dbraw/zinc/98/16/09/346981609.db2.gz JWNOBQNKZYYKCH-OAHLLOKOSA-N 0 3 257.381 3.452 20 30 CGEDHN CC(C)C[C@@H](CN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592521799 346995618 /nfs/dbraw/zinc/99/56/18/346995618.db2.gz CBSXKOBNDCSQPY-ZWKOTPCHSA-N 0 3 286.419 3.167 20 30 CGEDHN CCc1ccc(CN(CC(C)C)C(=O)C(C)C#N)cc1 ZINC000592824054 347017862 /nfs/dbraw/zinc/01/78/62/347017862.db2.gz CKAYYWCHONOJPL-CQSZACIVSA-N 0 3 272.392 3.393 20 30 CGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2ccsc2)cc1 ZINC000127092513 187281318 /nfs/dbraw/zinc/28/13/18/187281318.db2.gz WPUBYUKYHUVFLE-SJORKVTESA-N 0 3 298.411 3.490 20 30 CGEDHN Cc1cc(C#N)ccc1-c1cccc(OCCN(C)C)c1 ZINC000592984290 347023226 /nfs/dbraw/zinc/02/32/26/347023226.db2.gz OQAABUGXLWFESE-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN N#CC1(CCN2CCC(C3(O)CC3)CC2)CCCCC1 ZINC000593044390 347032000 /nfs/dbraw/zinc/03/20/00/347032000.db2.gz GVZYNLGXNDJROT-UHFFFAOYSA-N 0 3 276.424 3.087 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593041353 347032011 /nfs/dbraw/zinc/03/20/11/347032011.db2.gz RZHHEENKFWJVQQ-BBRMVZONSA-N 0 3 260.356 3.481 20 30 CGEDHN N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000044679004 345015227 /nfs/dbraw/zinc/01/52/27/345015227.db2.gz ONTTXACZFVFALL-GFCCVEGCSA-N 0 3 295.308 3.226 20 30 CGEDHN C=CCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000060995170 345225363 /nfs/dbraw/zinc/22/53/63/345225363.db2.gz UNWFCRRCILAYIQ-UHFFFAOYSA-N 0 3 266.388 3.143 20 30 CGEDHN CCc1ccc([C@H](CNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000058482222 345195666 /nfs/dbraw/zinc/19/56/66/345195666.db2.gz YCAZCAZFEWXLMS-KRWDZBQOSA-N 0 3 294.402 3.230 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000064915933 345266694 /nfs/dbraw/zinc/26/66/94/345266694.db2.gz SWXNPWPVWDSOFX-RHSMWYFYSA-N 0 3 292.386 3.201 20 30 CGEDHN N#Cc1cccc(CN[C@H](CCCO)c2ccccc2)c1 ZINC000077466428 345573563 /nfs/dbraw/zinc/57/35/63/345573563.db2.gz MTAGIFSDQXUHIW-GOSISDBHSA-N 0 3 280.371 3.162 20 30 CGEDHN Cc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000079808745 345655556 /nfs/dbraw/zinc/65/55/56/345655556.db2.gz XZZXVQZXFVKXRM-MRVPVSSYSA-N 0 3 256.227 3.004 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072455 345829858 /nfs/dbraw/zinc/82/98/58/345829858.db2.gz AYTMAKUVYLAFRD-INIZCTEOSA-N 0 3 297.402 3.354 20 30 CGEDHN CC1(C)CCC(O)(CNCc2cc(C#N)cs2)CC1 ZINC000093688320 345885757 /nfs/dbraw/zinc/88/57/57/345885757.db2.gz RSCGOLOHEVTANS-UHFFFAOYSA-N 0 3 278.421 3.041 20 30 CGEDHN CS[C@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000728765172 571818585 /nfs/dbraw/zinc/81/85/85/571818585.db2.gz ZVKBTYUXQGMXNO-RKDXNWHRSA-N 0 3 276.386 3.224 20 30 CGEDHN CCN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000110750645 345946772 /nfs/dbraw/zinc/94/67/72/345946772.db2.gz XONDCWHYGYZJHE-NSHDSACASA-N 0 3 297.324 3.107 20 30 CGEDHN CC(C)Oc1ncccc1CNCC(C)(C)CCC#N ZINC000135150270 346086453 /nfs/dbraw/zinc/08/64/53/346086453.db2.gz HRMKPHXWZPENOM-UHFFFAOYSA-N 0 3 275.396 3.288 20 30 CGEDHN C#CCCN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000145486426 346120038 /nfs/dbraw/zinc/12/00/38/346120038.db2.gz HJDSTHBPPHVXCW-UHFFFAOYSA-N 0 3 297.320 3.012 20 30 CGEDHN Cc1cc(C#N)ccc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000165485792 346184704 /nfs/dbraw/zinc/18/47/04/346184704.db2.gz HNWCNVMNQCZCRN-STQMWFEESA-N 0 3 260.406 3.193 20 30 CGEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000320644079 346488860 /nfs/dbraw/zinc/48/88/60/346488860.db2.gz IOUXINYUCGTVOX-OLZOCXBDSA-N 0 3 288.391 3.187 20 30 CGEDHN COc1cc(OC)c(CN[C@H]2CC[C@@H](CC#N)C2)cc1F ZINC000593630925 347097142 /nfs/dbraw/zinc/09/71/42/347097142.db2.gz BPYPWYWFILCWIX-AAEUAGOBSA-N 0 3 292.354 3.015 20 30 CGEDHN N#CC1(CNCCCc2ccc3c(c2)CCO3)CCCC1 ZINC000593654547 347100774 /nfs/dbraw/zinc/10/07/74/347100774.db2.gz HGZCPSMMGVHRTQ-UHFFFAOYSA-N 0 3 284.403 3.228 20 30 CGEDHN C=CCCCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000531361693 346647159 /nfs/dbraw/zinc/64/71/59/346647159.db2.gz MTZBXAUFIYUYKS-UHFFFAOYSA-N 0 3 286.419 3.472 20 30 CGEDHN CCCCCCCCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000584650056 346704561 /nfs/dbraw/zinc/70/45/61/346704561.db2.gz WVGNKXQOEKWYAR-OAHLLOKOSA-N 0 3 283.460 3.083 20 30 CGEDHN C=C(C)CN(CCCOc1ccc(F)cc1)CCOC ZINC000594004832 347135812 /nfs/dbraw/zinc/13/58/12/347135812.db2.gz SMAAHDXHOLJIRT-UHFFFAOYSA-N 0 3 281.371 3.119 20 30 CGEDHN CCC(C)(C)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000594020242 347138368 /nfs/dbraw/zinc/13/83/68/347138368.db2.gz DRKNZCYNTKJPLW-HNNXBMFYSA-N 0 3 285.435 3.425 20 30 CGEDHN CN(Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CC[C@H](C#N)C1 ZINC000594035708 347141896 /nfs/dbraw/zinc/14/18/96/347141896.db2.gz SZSRAULEPLZBAI-JQWIXIFHSA-N 0 3 294.301 3.132 20 30 CGEDHN CC[C@H](NCc1ccc(F)c(C#N)c1)[C@@H]1CCCCO1 ZINC000594045837 347144334 /nfs/dbraw/zinc/14/43/34/347144334.db2.gz ZVSVEOVZPWYGTR-HOTGVXAUSA-N 0 3 276.355 3.135 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]2CC2CCCC2)ccn1 ZINC000594052033 347145379 /nfs/dbraw/zinc/14/53/79/347145379.db2.gz CXLMHJIBKZTSDT-KRWDZBQOSA-N 0 3 269.392 3.498 20 30 CGEDHN Cc1cccc([C@H]2CCN(Cc3ccc(C#N)cn3)C2)c1 ZINC000593976852 347127984 /nfs/dbraw/zinc/12/79/84/347127984.db2.gz JZSKJJRHSYLHHV-KRWDZBQOSA-N 0 3 277.371 3.251 20 30 CGEDHN CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594424647 347173961 /nfs/dbraw/zinc/17/39/61/347173961.db2.gz CHNMABQUBKXITB-HZPDHXFCSA-N 0 3 287.407 3.055 20 30 CGEDHN CC(C)CC1(CNC(=O)[C@H](N)CCCCC#N)CCCC1 ZINC000594432500 347174724 /nfs/dbraw/zinc/17/47/24/347174724.db2.gz BMFPYKKQGSYXIZ-OAHLLOKOSA-N 0 3 293.455 3.120 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000594507171 347181595 /nfs/dbraw/zinc/18/15/95/347181595.db2.gz AESVBOUFRZDGPJ-GOEBONIOSA-N 0 3 267.376 3.270 20 30 CGEDHN C[C@@H]1CC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)O1 ZINC000594508841 347182433 /nfs/dbraw/zinc/18/24/33/347182433.db2.gz WYPSCYYJKFYUTB-CZUORRHYSA-N 0 3 272.392 3.145 20 30 CGEDHN C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000594510604 347183425 /nfs/dbraw/zinc/18/34/25/347183425.db2.gz AVVSBVLVWGXZHQ-STQMWFEESA-N 0 3 288.391 3.187 20 30 CGEDHN COc1cc(CN[C@H]2C[C@H](OC(C)(C)C)C2)ccc1C#N ZINC000594516766 347186546 /nfs/dbraw/zinc/18/65/46/347186546.db2.gz FMBIERVYHJRPNP-SHTZXODSSA-N 0 3 288.391 3.003 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1F ZINC000594994083 347251496 /nfs/dbraw/zinc/25/14/96/347251496.db2.gz DXHXSSPFKGLMBQ-CGTJXYLNSA-N 0 3 296.320 3.264 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)s1 ZINC000594996060 347251964 /nfs/dbraw/zinc/25/19/64/347251964.db2.gz RFGMCWNCAHJCFO-OWCLPIDISA-N 0 3 284.359 3.187 20 30 CGEDHN N#CCCC[C@H](NCc1cnc2n1CCC2)c1ccccc1 ZINC000594945779 347237888 /nfs/dbraw/zinc/23/78/88/347237888.db2.gz XIQPSFNVNAXZKJ-KRWDZBQOSA-N 0 3 294.402 3.354 20 30 CGEDHN CO[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)CC(C)C ZINC000594949930 347238293 /nfs/dbraw/zinc/23/82/93/347238293.db2.gz IMUHILYFXXKTCJ-QGZVFWFLSA-N 0 3 286.419 3.392 20 30 CGEDHN CC[C@H](C)[C@H](CNCc1ccc(C2(C#N)CC2)cc1)OC ZINC000594953550 347239075 /nfs/dbraw/zinc/23/90/75/347239075.db2.gz IBMCLHJJGFHKMO-YOEHRIQHSA-N 0 3 286.419 3.392 20 30 CGEDHN CC[C@@H](C)[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)OC ZINC000594953545 347239149 /nfs/dbraw/zinc/23/91/49/347239149.db2.gz IBMCLHJJGFHKMO-RHSMWYFYSA-N 0 3 286.419 3.392 20 30 CGEDHN COCc1csc(CNCc2ccc(CC#N)cc2)c1 ZINC000594951099 347239533 /nfs/dbraw/zinc/23/95/33/347239533.db2.gz PZWOKEDQCVDDQL-UHFFFAOYSA-N 0 3 286.400 3.250 20 30 CGEDHN Cc1cc(F)ccc1C[C@H](C)NCc1ccc(C#N)o1 ZINC000594958051 347240541 /nfs/dbraw/zinc/24/05/41/347240541.db2.gz YFCPOQHFKYQXRQ-LBPRGKRZSA-N 0 3 272.323 3.320 20 30 CGEDHN C=CCCSCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000594959994 347241364 /nfs/dbraw/zinc/24/13/64/347241364.db2.gz HPMXAZGJHBBGEJ-UHFFFAOYSA-N 0 3 277.393 3.069 20 30 CGEDHN C=CCCSCCNCc1cnn(C(C)(C)C)c1 ZINC000594960154 347241513 /nfs/dbraw/zinc/24/15/13/347241513.db2.gz LHTZCNJLGVKXJG-UHFFFAOYSA-N 0 3 267.442 3.037 20 30 CGEDHN CC1(C)C[C@@H](NCc2cccc(OCCCC#N)c2)CO1 ZINC000594962879 347243138 /nfs/dbraw/zinc/24/31/38/347243138.db2.gz MRVOLCJWPSGSHO-OAHLLOKOSA-N 0 3 288.391 3.026 20 30 CGEDHN C=CCCSCCNCc1cc(F)cc(OC)c1 ZINC000594968563 347244687 /nfs/dbraw/zinc/24/46/87/347244687.db2.gz SJMIQNGTMJRQNB-UHFFFAOYSA-N 0 3 269.385 3.233 20 30 CGEDHN C[C@@H]1CC(CNCc2nc(C#N)cs2)C[C@@H](C)C1 ZINC000594966353 347244793 /nfs/dbraw/zinc/24/47/93/347244793.db2.gz HPSIVZMFFLERMT-QWRGUYRKSA-N 0 3 263.410 3.177 20 30 CGEDHN CO[C@@H](CN(C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000595286729 347286860 /nfs/dbraw/zinc/28/68/60/347286860.db2.gz GTCKLAUNGGCBMS-KRWDZBQOSA-N 0 3 272.392 3.195 20 30 CGEDHN C[C@@H](CSCCF)NC1(c2cccc(C#N)c2)CC1 ZINC000595029695 347262402 /nfs/dbraw/zinc/26/24/02/347262402.db2.gz KIOJNRCEIDZXDQ-LBPRGKRZSA-N 0 3 278.396 3.228 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)C1CCC1 ZINC000595414000 347300223 /nfs/dbraw/zinc/30/02/23/347300223.db2.gz ZIJUGKZQTAYALF-WBMJQRKESA-N 0 3 258.365 3.024 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cccc(O)c1 ZINC000595060176 347274107 /nfs/dbraw/zinc/27/41/07/347274107.db2.gz UCBYLKYXBYUDRQ-GFCCVEGCSA-N 0 3 251.395 3.352 20 30 CGEDHN C[C@H](O)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000595103888 347284060 /nfs/dbraw/zinc/28/40/60/347284060.db2.gz OMXJMAJDGWTNQS-DEYYWGMASA-N 0 3 280.371 3.331 20 30 CGEDHN CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000595612151 347327143 /nfs/dbraw/zinc/32/71/43/347327143.db2.gz SGLXZBSHTMRONC-CQSZACIVSA-N 0 3 258.365 3.211 20 30 CGEDHN CC1(C)CN(Cc2ccnc(C#N)c2)CCc2ccccc21 ZINC000595632324 347330440 /nfs/dbraw/zinc/33/04/40/347330440.db2.gz NPMIYLPOCBAODJ-UHFFFAOYSA-N 0 3 291.398 3.289 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000595659951 347334368 /nfs/dbraw/zinc/33/43/68/347334368.db2.gz OKSJOOUDYRUKEL-CQSZACIVSA-N 0 3 270.376 3.355 20 30 CGEDHN CC(C)c1ccc2c(c1)CN(CCOCCC#N)CC2 ZINC000595658797 347334622 /nfs/dbraw/zinc/33/46/22/347334622.db2.gz VXEJEEDCZJUHPT-UHFFFAOYSA-N 0 3 272.392 3.098 20 30 CGEDHN C=CC[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000595661353 347335424 /nfs/dbraw/zinc/33/54/24/347335424.db2.gz ZGDJINQPJCOREN-HNAYVOBHSA-N 0 3 277.433 3.082 20 30 CGEDHN C=CCC1(NCc2ccc(C(=O)OCC)cn2)CCCC1 ZINC000595780255 347354945 /nfs/dbraw/zinc/35/49/45/347354945.db2.gz NPTNBAXHICMLLG-UHFFFAOYSA-N 0 3 288.391 3.237 20 30 CGEDHN CC(C)n1cc(C2=CCCN([C@H](C)CCC#N)CC2)nn1 ZINC000595524714 347316128 /nfs/dbraw/zinc/31/61/28/347316128.db2.gz OCCXHLCSIITFLJ-CQSZACIVSA-N 0 3 287.411 3.030 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595838265 347364600 /nfs/dbraw/zinc/36/46/00/347364600.db2.gz ULHSQTHIJJEDKL-HNNXBMFYSA-N 0 3 299.374 3.479 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CC1(C)C ZINC000595911818 347371817 /nfs/dbraw/zinc/37/18/17/347371817.db2.gz ZBTKNQYAWBBDBF-AWEZNQCLSA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1cccc(C#N)c1 ZINC000596652258 347498403 /nfs/dbraw/zinc/49/84/03/347498403.db2.gz OVRPOIIKXKBRHA-KZULUSFZSA-N 0 3 277.371 3.479 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000597176231 347544418 /nfs/dbraw/zinc/54/44/18/347544418.db2.gz GSUZPIGFRVOAEI-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN CCOC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596984893 347524448 /nfs/dbraw/zinc/52/44/48/347524448.db2.gz XCTUNGQBZAKWOK-UHFFFAOYSA-N 0 3 284.403 3.243 20 30 CGEDHN N#CC1(c2ccc(CN3CC(C4CC4)C3)cc2)CC1 ZINC000597133585 347539096 /nfs/dbraw/zinc/53/90/96/347539096.db2.gz WCXOBVXGKCGIED-UHFFFAOYSA-N 0 3 252.361 3.084 20 30 CGEDHN N#Cc1csc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000597224346 347556881 /nfs/dbraw/zinc/55/68/81/347556881.db2.gz GULABVBNWNKCOL-GDBMZVCRSA-N 0 3 290.432 3.401 20 30 CGEDHN N#Cc1ccc2ncc(CN3CCC[C@H](C4CCC4)C3)n2c1 ZINC000597227886 347557468 /nfs/dbraw/zinc/55/74/68/347557468.db2.gz IAVJDEVOCBPSCK-INIZCTEOSA-N 0 3 294.402 3.218 20 30 CGEDHN CCC(C)(C)[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598859647 347695737 /nfs/dbraw/zinc/69/57/37/347695737.db2.gz IEFPUVYYBHLWFW-CJNGLKHVSA-N 0 3 297.402 3.181 20 30 CGEDHN C/C=C/CNCc1ccc(C#N)cc1C(F)(F)F ZINC000599005720 347706219 /nfs/dbraw/zinc/70/62/19/347706219.db2.gz PGXUSPSVMYDSRT-NSCUHMNNSA-N 0 3 254.255 3.243 20 30 CGEDHN C[C@@H](c1ccccc1F)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598585444 347667002 /nfs/dbraw/zinc/66/70/02/347667002.db2.gz CXKPDUPZDDEGKJ-STQMWFEESA-N 0 3 278.371 3.119 20 30 CGEDHN C[C@@H]1c2ccc(F)cc2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598593590 347668277 /nfs/dbraw/zinc/66/82/77/347668277.db2.gz VBABEWXFQHMPDE-DOMZBBRYSA-N 0 3 290.382 3.046 20 30 CGEDHN C/C=C/C[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000599688975 347765897 /nfs/dbraw/zinc/76/58/97/347765897.db2.gz GYQVOIVGJDGYSZ-HSWBROFVSA-N 0 3 255.365 3.131 20 30 CGEDHN CCc1cc(N2CCc3c(CC#N)cccc3C2)ccn1 ZINC000599195067 347725635 /nfs/dbraw/zinc/72/56/35/347725635.db2.gz MCUIYYZNLIISOY-UHFFFAOYSA-N 0 3 277.371 3.273 20 30 CGEDHN CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000599329638 347735956 /nfs/dbraw/zinc/73/59/56/347735956.db2.gz AWODYMZELYCPQJ-JKSUJKDBSA-N 0 3 284.403 3.124 20 30 CGEDHN CCO[C@H](CN[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599348622 347738409 /nfs/dbraw/zinc/73/84/09/347738409.db2.gz HWQPPLXQRZBZMU-BLLLJJGKSA-N 0 3 258.365 3.024 20 30 CGEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)cc1Cl ZINC000599355763 347738858 /nfs/dbraw/zinc/73/88/58/347738858.db2.gz GHGZBGGCUGYARZ-CMPLNLGQSA-N 0 3 296.773 3.184 20 30 CGEDHN Cc1ccc(CN[C@@H](C)c2cnccc2C)cc1C#N ZINC000599362888 347739759 /nfs/dbraw/zinc/73/97/59/347739759.db2.gz RIKGLEJYALUDKL-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cc2ccccc2o1 ZINC000599358136 347739797 /nfs/dbraw/zinc/73/97/97/347739797.db2.gz FAKNWRSTXUBRTM-JSGCOSHPSA-N 0 3 284.359 3.138 20 30 CGEDHN N#CCCOCCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515553 347749736 /nfs/dbraw/zinc/74/97/36/347749736.db2.gz FJQTXJIPLAFQDJ-CQSZACIVSA-N 0 3 294.345 3.074 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000599526876 347750489 /nfs/dbraw/zinc/75/04/89/347750489.db2.gz VOFCHXPGXMCRJQ-LBPRGKRZSA-N 0 3 277.339 3.010 20 30 CGEDHN C/C=C/C[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212819 347793738 /nfs/dbraw/zinc/79/37/38/347793738.db2.gz ICFGXVXTVGKJJX-FAAWYNLUSA-N 0 3 294.402 3.384 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(O)cc3)C2)s1 ZINC000600214281 347795020 /nfs/dbraw/zinc/79/50/20/347795020.db2.gz OJTWTIHGCPCNMB-ZDUSSCGKSA-N 0 3 284.384 3.315 20 30 CGEDHN Cc1ccc(CN2CCNC[C@@H]2c2ccccc2)cc1C#N ZINC000600712632 347830170 /nfs/dbraw/zinc/83/01/70/347830170.db2.gz ZITRCPANAUGFMF-LJQANCHMSA-N 0 3 291.398 3.013 20 30 CGEDHN N#CCC[C@@H](C#N)CNCC(C1CCC1)C1CCC1 ZINC000600601526 347812951 /nfs/dbraw/zinc/81/29/51/347812951.db2.gz FQHKHESYXSYNTM-ZDUSSCGKSA-N 0 3 259.397 3.236 20 30 CGEDHN N#CC1(C[C@@H](O)CNCc2cc(Cl)cc(Cl)c2)CC1 ZINC000600751177 347831879 /nfs/dbraw/zinc/83/18/79/347831879.db2.gz ZPQIAJLAHCOTDX-CYBMUJFWSA-N 0 3 299.201 3.138 20 30 CGEDHN C=CCCC[C@H](C)NCc1cccc(C(=O)OCC)n1 ZINC000600135402 347783565 /nfs/dbraw/zinc/78/35/65/347783565.db2.gz HGCGTMIBMMDAKI-ZDUSSCGKSA-N 0 3 276.380 3.093 20 30 CGEDHN C[C@@H](NCC1(C#N)CCCCC1)C1CC(F)(F)C1 ZINC000600174632 347788777 /nfs/dbraw/zinc/78/87/77/347788777.db2.gz LUDSIFITPAAZBY-LLVKDONJSA-N 0 3 256.340 3.484 20 30 CGEDHN C=CCCSCCNCc1cnc2ccccc2n1 ZINC000600177735 347789769 /nfs/dbraw/zinc/78/97/69/347789769.db2.gz LQWHNFSNBQVTJA-UHFFFAOYSA-N 0 3 273.405 3.029 20 30 CGEDHN N#Cc1cc(-c2cccc(C[C@H]3CC[NH2+]C3)c2)ccc1[O-] ZINC000600779566 347834207 /nfs/dbraw/zinc/83/42/07/347834207.db2.gz GOBMROIMKGLEBC-CQSZACIVSA-N 0 3 278.355 3.083 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2ccncc2Br)C1 ZINC000601125390 347872207 /nfs/dbraw/zinc/87/22/07/347872207.db2.gz MKNXKXDJITZRHI-JQWIXIFHSA-N 0 3 294.196 3.016 20 30 CGEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@H](C)O1 ZINC000601149403 347875174 /nfs/dbraw/zinc/87/51/74/347875174.db2.gz JYBZREHMFNWCKE-BFVZDQMLSA-N 0 3 298.308 3.233 20 30 CGEDHN C[C@@]1(CNCc2cccc(F)c2C#N)CCCS1 ZINC000602013579 347932828 /nfs/dbraw/zinc/93/28/28/347932828.db2.gz PZJMRBHGKGDIHI-AWEZNQCLSA-N 0 3 264.369 3.073 20 30 CGEDHN CC(C#N)C(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC000601746929 347911535 /nfs/dbraw/zinc/91/15/35/347911535.db2.gz WBCPPRJIOIVJBP-YJBOKZPZSA-N 0 3 282.387 3.231 20 30 CGEDHN CN(C)Cc1cccc(NCCOc2ccc(C#N)cc2)c1 ZINC000601934212 347925898 /nfs/dbraw/zinc/92/58/98/347925898.db2.gz OQDMTECHMNAOSJ-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN CC[C@@H](C)[C@H](CN(C)Cc1ccc(C#N)cc1)OC ZINC000602438017 347957829 /nfs/dbraw/zinc/95/78/29/347957829.db2.gz GDYYVRKMYAJCPO-CJNGLKHVSA-N 0 3 260.381 3.051 20 30 CGEDHN CCC1CCC(N(C)Cc2cccc(C#N)n2)CC1 ZINC000602439416 347957948 /nfs/dbraw/zinc/95/79/48/347957948.db2.gz FESQOZPEZJJIMT-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN N#Cc1cccc(CN2CCCC3(CCCCC3)C2)n1 ZINC000602471147 347964283 /nfs/dbraw/zinc/96/42/83/347964283.db2.gz GSQCSTZQZYHCCU-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN C[C@H](CCC#N)CN[C@H]1COc2c1cccc2Cl ZINC000602567735 347984014 /nfs/dbraw/zinc/98/40/14/347984014.db2.gz GEWCCIYGXQSQCW-MFKMUULPSA-N 0 3 264.756 3.303 20 30 CGEDHN Cc1csc([C@@H](NC[C@@H](C)CCC#N)C2CC2)n1 ZINC000602566796 347984077 /nfs/dbraw/zinc/98/40/77/347984077.db2.gz KONLFZBPXBEHQF-GWCFXTLKSA-N 0 3 263.410 3.432 20 30 CGEDHN N#CC1CCC(N[C@H]2COc3ccc(Cl)cc32)CC1 ZINC000602570173 347984682 /nfs/dbraw/zinc/98/46/82/347984682.db2.gz SHMDOKOOQCXAEA-OVGLSYRBSA-N 0 3 276.767 3.445 20 30 CGEDHN N#CC1CCC(NCc2nc(C3CC3)cs2)CC1 ZINC000602571420 347984980 /nfs/dbraw/zinc/98/49/80/347984980.db2.gz MHILBCABNGJKFZ-UHFFFAOYSA-N 0 3 261.394 3.192 20 30 CGEDHN CCCCO[C@H]1C[C@@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602573622 347985996 /nfs/dbraw/zinc/98/59/96/347985996.db2.gz SUQPRDLHELTRKI-CVEARBPZSA-N 0 3 287.407 3.027 20 30 CGEDHN CC[C@H](C)[C@H](CNC1(c2cccc(C#N)c2)CC1)OC ZINC000602581290 347987939 /nfs/dbraw/zinc/98/79/39/347987939.db2.gz JKHLBRAGZFSJEH-BBRMVZONSA-N 0 3 272.392 3.198 20 30 CGEDHN C[C@H](CCC#N)CN1Cc2ccccc2OC[C@@H]1C ZINC000602598715 347991251 /nfs/dbraw/zinc/99/12/51/347991251.db2.gz DUNHYCMEYMTNTC-KGLIPLIRSA-N 0 3 258.365 3.209 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000602673168 348005942 /nfs/dbraw/zinc/00/59/42/348005942.db2.gz OXSQQMACLCPEOK-HUUCEWRRSA-N 0 3 289.398 3.276 20 30 CGEDHN N#CC1CCC(N[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000602694956 348010982 /nfs/dbraw/zinc/01/09/82/348010982.db2.gz QSWRCKUHDAFRIX-GDVJOBBMSA-N 0 3 258.340 3.296 20 30 CGEDHN N#CCC1(CN2CCC3(CC2)OCc2ccccc23)CC1 ZINC000602788578 348029243 /nfs/dbraw/zinc/02/92/43/348029243.db2.gz UCMVTWOKRFVPLD-UHFFFAOYSA-N 0 3 282.387 3.202 20 30 CGEDHN CC(C)(CN1CCC[C@@H](CC#N)C1)Oc1ccccc1 ZINC000602707359 348014338 /nfs/dbraw/zinc/01/43/38/348014338.db2.gz UHNFYJGVODQHRV-HNNXBMFYSA-N 0 3 272.392 3.470 20 30 CGEDHN CC[C@@H](C)[C@H](CNCC1(C#N)CCCCC1)OC ZINC000602717824 348016556 /nfs/dbraw/zinc/01/65/56/348016556.db2.gz DIXHOPLMNIOWNQ-KGLIPLIRSA-N 0 3 252.402 3.111 20 30 CGEDHN N#CCC1(CN2CCC(OC3CCCC3)CC2)CC1 ZINC000602769581 348026402 /nfs/dbraw/zinc/02/64/02/348026402.db2.gz GKYGOTUZNMBRQL-UHFFFAOYSA-N 0 3 262.397 3.104 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)n1)c1cccc(F)c1 ZINC000602544915 347979233 /nfs/dbraw/zinc/97/92/33/347979233.db2.gz FPBFCHGJDJMJKQ-UHFFFAOYSA-N 0 3 283.350 3.160 20 30 CGEDHN C[C@@H](CCC#N)CNCc1c(F)cccc1OC(F)F ZINC000602561518 347982060 /nfs/dbraw/zinc/98/20/60/347982060.db2.gz RWZFFTFPEKRREV-JTQLQIEISA-N 0 3 286.297 3.457 20 30 CGEDHN CC(C)(CO)[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602817542 348033498 /nfs/dbraw/zinc/03/34/98/348033498.db2.gz JHRYMECLGBJQFB-OAHLLOKOSA-N 0 3 272.392 3.030 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](c3ccc4cccnc4n3)C2)C1 ZINC000602886213 348040885 /nfs/dbraw/zinc/04/08/85/348040885.db2.gz IIAXBJHKRGHEGT-VNQPRFMTSA-N 0 3 292.386 3.111 20 30 CGEDHN Cc1cc(C)c(CN2CCC[C@@H](CC#N)C2)c(C)n1 ZINC000602884583 348041013 /nfs/dbraw/zinc/04/10/13/348041013.db2.gz OOISBDMBSPSXBN-HNNXBMFYSA-N 0 3 257.381 3.133 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602886092 348041083 /nfs/dbraw/zinc/04/10/83/348041083.db2.gz GNTVMZRLGFKZDO-UKRRQHHQSA-N 0 3 280.375 3.111 20 30 CGEDHN CC(C)SCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907542 348042596 /nfs/dbraw/zinc/04/25/96/348042596.db2.gz NLVRNABONJQFKY-UHFFFAOYSA-N 0 3 289.448 3.274 20 30 CGEDHN COCc1cc(C#N)ccc1NC[C@@H]1CCN1C1CCCC1 ZINC000603416638 348081076 /nfs/dbraw/zinc/08/10/76/348081076.db2.gz VOFVONNDLZENLR-KRWDZBQOSA-N 0 3 299.418 3.133 20 30 CGEDHN CCn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000603431296 348083805 /nfs/dbraw/zinc/08/38/05/348083805.db2.gz FZBXHTOGIYLWIV-WMLDXEAASA-N 0 3 294.402 3.352 20 30 CGEDHN C=CCc1cc(CNCCOC(C)(C)C)cc(OC)c1O ZINC000603513604 348087446 /nfs/dbraw/zinc/08/74/46/348087446.db2.gz QSSPKILKBNSBGV-UHFFFAOYSA-N 0 3 293.407 3.034 20 30 CGEDHN C=CCNC(=O)CN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000606452004 348185610 /nfs/dbraw/zinc/18/56/10/348185610.db2.gz BGRCOZFSQQDPQF-QAPCUYQASA-N 0 3 286.419 3.070 20 30 CGEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000357363685 232936824 /nfs/dbraw/zinc/93/68/24/232936824.db2.gz JBWQXOPQVLVUEM-MOPGFXCFSA-N 0 3 292.382 3.426 20 30 CGEDHN N#Cc1ccc(CNCCCCc2ccccc2)o1 ZINC000610270653 348369810 /nfs/dbraw/zinc/36/98/10/348369810.db2.gz IIJVTFIUIDAEKA-UHFFFAOYSA-N 0 3 254.333 3.264 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000609920504 348357943 /nfs/dbraw/zinc/35/79/43/348357943.db2.gz NMQFLINPYRERQZ-HZMBPMFUSA-N 0 3 288.347 3.252 20 30 CGEDHN N#Cc1cccc(OCCCN2CC[C@H](c3ccco3)C2)c1 ZINC000610786435 348403320 /nfs/dbraw/zinc/40/33/20/348403320.db2.gz CKEFKMWIWIHZSS-INIZCTEOSA-N 0 3 296.370 3.410 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCOCC(F)(F)F ZINC000611391828 348445235 /nfs/dbraw/zinc/44/52/35/348445235.db2.gz ZVCDKGOHPYCKFG-AWEZNQCLSA-N 0 3 298.308 3.104 20 30 CGEDHN Cc1cccc(C(C)(C)NCc2ccnc(C#N)c2)c1 ZINC000611396324 348446469 /nfs/dbraw/zinc/44/64/69/348446469.db2.gz YZEHKYMGEPHHJX-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000611403430 348446928 /nfs/dbraw/zinc/44/69/28/348446928.db2.gz LLVWMPKFFPWPHQ-DOMZBBRYSA-N 0 3 260.337 3.437 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000611399087 348447092 /nfs/dbraw/zinc/44/70/92/348447092.db2.gz LKVVZKMBYGGVGR-HNNXBMFYSA-N 0 3 296.374 3.104 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H]1Cc2ccccc2NC1=O ZINC000624182640 349994932 /nfs/dbraw/zinc/99/49/32/349994932.db2.gz LNWWCPCAYVBEQG-BBRMVZONSA-N 0 3 272.392 3.274 20 30 CGEDHN COCC1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167009 348654526 /nfs/dbraw/zinc/65/45/26/348654526.db2.gz YWRAUPCKPAXWHQ-UHFFFAOYSA-N 0 3 286.419 3.346 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCC(CCO)CC2)cc1 ZINC000614167237 348654592 /nfs/dbraw/zinc/65/45/92/348654592.db2.gz BVCSNLZYLICSQD-UHFFFAOYSA-N 0 3 286.419 3.082 20 30 CGEDHN Cc1cc(C#N)ccc1CN(Cc1ccccc1)C[C@@H](C)O ZINC000614400818 348674248 /nfs/dbraw/zinc/67/42/48/348674248.db2.gz HFZMYRLKVMSIHG-MRXNPFEDSA-N 0 3 294.398 3.250 20 30 CGEDHN C[C@H](NC1CCN(CC#N)CC1)c1csc(Cl)c1 ZINC000615756370 348763592 /nfs/dbraw/zinc/76/35/92/348763592.db2.gz DNZDDXABPRPZKY-JTQLQIEISA-N 0 3 283.828 3.040 20 30 CGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(C#N)cc1F ZINC000358560247 233155690 /nfs/dbraw/zinc/15/56/90/233155690.db2.gz QNVVQTBGLOPNGS-YWSWHFDRSA-N 0 3 288.366 3.161 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3ccc(F)cc32)C1 ZINC000618571682 349109080 /nfs/dbraw/zinc/10/90/80/349109080.db2.gz JUYVJKRZIZNTSJ-WPGHFRTFSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCC1(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CCCC1 ZINC000619104474 349203286 /nfs/dbraw/zinc/20/32/86/349203286.db2.gz MRTCFDXBFAJNHD-ZNMIVQPWSA-N 0 3 278.440 3.253 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625658923 350194008 /nfs/dbraw/zinc/19/40/08/350194008.db2.gz MURRAGYCOKSFHP-CABCVRRESA-N 0 3 295.373 3.471 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cncn2Cc2ccccc2)C1 ZINC000625704470 350200700 /nfs/dbraw/zinc/20/07/00/350200700.db2.gz YFNSCLBPSFFIMT-INIZCTEOSA-N 0 3 281.403 3.329 20 30 CGEDHN C=CCC[C@@H](O)CNC(C)(C)c1nc2ccccc2s1 ZINC000625721496 350203321 /nfs/dbraw/zinc/20/33/21/350203321.db2.gz YRZUPKHGJSZGAN-GFCCVEGCSA-N 0 3 290.432 3.448 20 30 CGEDHN C=CCC1(NCc2nnc(CC)s2)CCCCC1 ZINC000625933643 350232779 /nfs/dbraw/zinc/23/27/79/350232779.db2.gz KJWGCPUEKJPBKC-UHFFFAOYSA-N 0 3 265.426 3.469 20 30 CGEDHN C=CCC1(NCc2nc(N)c3ccccc3n2)CCCCC1 ZINC000625935801 350233544 /nfs/dbraw/zinc/23/35/44/350233544.db2.gz NWNPDBGUFCHTQH-UHFFFAOYSA-N 0 3 296.418 3.411 20 30 CGEDHN C=CCOCCN(CCOCC)[C@@H]1CCc2ccccc21 ZINC000625977964 350239899 /nfs/dbraw/zinc/23/98/99/350239899.db2.gz AZHBNJPPSVXEER-GOSISDBHSA-N 0 3 289.419 3.215 20 30 CGEDHN C=CC(C)(C)CCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000628314785 350496438 /nfs/dbraw/zinc/49/64/38/350496438.db2.gz MVTTWLBFJGNBQT-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccnn2-c2ccccc2)C1 ZINC000628406289 350529773 /nfs/dbraw/zinc/52/97/73/350529773.db2.gz GPLYKFUKTCMSFD-OAHLLOKOSA-N 0 3 267.376 3.270 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000628406530 350530156 /nfs/dbraw/zinc/53/01/56/350530156.db2.gz LIALYKOLSFASMN-CYBMUJFWSA-N 0 3 259.397 3.172 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000630806961 350890952 /nfs/dbraw/zinc/89/09/52/350890952.db2.gz CKFPJWHOYPHCKO-DOTOQJQBSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CC(C)(C)CNCc1ccncc1Br ZINC000631148520 350969239 /nfs/dbraw/zinc/96/92/39/350969239.db2.gz FSCWOUKLRKCSGJ-UHFFFAOYSA-N 0 3 269.186 3.146 20 30 CGEDHN C=C(C)COCCN[C@H](CCC)c1cc(C)ccn1 ZINC000631600269 351085888 /nfs/dbraw/zinc/08/58/88/351085888.db2.gz PQDLSMXKCKOGTD-OAHLLOKOSA-N 0 3 262.397 3.414 20 30 CGEDHN C=C(C)COCCN[C@@H](CCC)c1cc(C)ccn1 ZINC000631600267 351085959 /nfs/dbraw/zinc/08/59/59/351085959.db2.gz PQDLSMXKCKOGTD-HNNXBMFYSA-N 0 3 262.397 3.414 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000631769020 351139801 /nfs/dbraw/zinc/13/98/01/351139801.db2.gz HDUQOLAXTBKTHF-WBVHZDCISA-N 0 3 298.430 3.122 20 30 CGEDHN CC[C@H]1CC[C@@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271443940 191141744 /nfs/dbraw/zinc/14/17/44/191141744.db2.gz CEIOTWUGYYYJCO-DOMZBBRYSA-N 0 3 296.374 3.371 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000122525527 187036205 /nfs/dbraw/zinc/03/62/05/187036205.db2.gz ISZSSTLBENQMHZ-OLZOCXBDSA-N 0 3 258.365 3.045 20 30 CGEDHN CSC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000292388449 198269075 /nfs/dbraw/zinc/26/90/75/198269075.db2.gz KFPDHDOEKBALHU-HNNXBMFYSA-N 0 3 260.406 3.133 20 30 CGEDHN CCSCC[C@H](C)NCc1ccc(C#N)cc1F ZINC000158111744 188357843 /nfs/dbraw/zinc/35/78/43/188357843.db2.gz QMABRTFSCIPRSC-NSHDSACASA-N 0 3 266.385 3.319 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000346334129 283027749 /nfs/dbraw/zinc/02/77/49/283027749.db2.gz JOONZDZIPZSWQB-KFWWJZLASA-N 0 3 292.423 3.122 20 30 CGEDHN N#CCC1(CN[C@H]2CSCCc3ccccc32)CC1 ZINC000348415214 283051046 /nfs/dbraw/zinc/05/10/46/283051046.db2.gz XTACZEFHRAONDY-HNNXBMFYSA-N 0 3 272.417 3.300 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000271864688 191376203 /nfs/dbraw/zinc/37/62/03/191376203.db2.gz LDHJJUYJKIORGM-VEVIJQCQSA-N 0 3 298.361 3.470 20 30 CGEDHN N#Cc1ccc(CN(CC2CCC(=O)CC2)C2CC2)cc1 ZINC000295562145 283138862 /nfs/dbraw/zinc/13/88/62/283138862.db2.gz QKKWOWAOXNHNHI-UHFFFAOYSA-N 0 3 282.387 3.282 20 30 CGEDHN Cc1ccnc(NC[C@H](c2cccc(F)c2)N(C)C)c1C#N ZINC000273027747 192024984 /nfs/dbraw/zinc/02/49/84/192024984.db2.gz MCXZTLICSXLBNO-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000357363699 283148224 /nfs/dbraw/zinc/14/82/24/283148224.db2.gz JBWQXOPQVLVUEM-RBUKOAKNSA-N 0 3 292.382 3.426 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC(F)(F)C2)cc1 ZINC000334377214 283148306 /nfs/dbraw/zinc/14/83/06/283148306.db2.gz WISBHKTVTKFAQM-ZDUSSCGKSA-N 0 3 250.292 3.226 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CC23CCSCC3)c(F)c1 ZINC000421378060 235811297 /nfs/dbraw/zinc/81/12/97/235811297.db2.gz KBZXZOXNRHPQKW-AWEZNQCLSA-N 0 3 290.407 3.320 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298203888 200359254 /nfs/dbraw/zinc/35/92/54/200359254.db2.gz CQZBYFVUMBYAFM-LSDHHAIUSA-N 0 3 292.329 3.044 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)Cc1ccccc1 ZINC000176967473 189017380 /nfs/dbraw/zinc/01/73/80/189017380.db2.gz IXEBVOWZLVNZBI-AWEZNQCLSA-N 0 3 299.443 3.230 20 30 CGEDHN N#Cc1cccc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000177193776 189035361 /nfs/dbraw/zinc/03/53/61/189035361.db2.gz XCSYSJSTDRIBPL-HOTGVXAUSA-N 0 3 272.417 3.418 20 30 CGEDHN C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179866644 189224840 /nfs/dbraw/zinc/22/48/40/189224840.db2.gz DQMIJDRLLJDDCU-AWEZNQCLSA-N 0 3 294.402 3.191 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C12CCC2 ZINC000180729204 189272577 /nfs/dbraw/zinc/27/25/77/189272577.db2.gz HLEWKVWORMIWIU-CABCVRRESA-N 0 3 290.432 3.399 20 30 CGEDHN CN1CC[C@@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000301820651 201216899 /nfs/dbraw/zinc/21/68/99/201216899.db2.gz BBISFXAHTMAFSL-MSOLQXFVSA-N 0 3 277.371 3.416 20 30 CGEDHN CCN1CCCC[C@H]1CNc1cc(C#N)ccc1C(C)=O ZINC000302037559 201313244 /nfs/dbraw/zinc/31/32/44/201313244.db2.gz GEQYOYNPVKNHOF-HNNXBMFYSA-N 0 3 285.391 3.047 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000302117968 201348624 /nfs/dbraw/zinc/34/86/24/201348624.db2.gz SESLCQDVDIMSKP-UONOGXRCSA-N 0 3 299.418 3.293 20 30 CGEDHN C[C@@H](NCCC(C)(F)F)c1ccc(C#N)cc1F ZINC000450713904 240046198 /nfs/dbraw/zinc/04/61/98/240046198.db2.gz GOUUTZHITOVJLZ-SECBINFHSA-N 0 3 256.271 3.393 20 30 CGEDHN CO[C@H]1C[C@H](N(C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000451856676 240369312 /nfs/dbraw/zinc/36/93/12/240369312.db2.gz SZOKHPONIWSSTC-HOTGVXAUSA-N 0 3 288.366 3.087 20 30 CGEDHN C=CCC[C@H](O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000121344746 370852994 /nfs/dbraw/zinc/85/29/94/370852994.db2.gz HLWUYVSCEXSKPQ-GJZGRUSLSA-N 0 3 295.448 3.056 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000459754524 242211649 /nfs/dbraw/zinc/21/16/49/242211649.db2.gz OFUIDKMSFDSUJS-CYBMUJFWSA-N 0 3 285.366 3.099 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccs1 ZINC000001238807 368404694 /nfs/dbraw/zinc/40/46/94/368404694.db2.gz YVCQRHRZUFNSTF-SNVBAGLBSA-N 0 3 281.340 3.125 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000481046284 243175320 /nfs/dbraw/zinc/17/53/20/243175320.db2.gz ZMZJNRRRKCHAQD-PHIMTYICSA-N 0 3 293.208 3.409 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H]1CCCS1 ZINC000122052123 370902691 /nfs/dbraw/zinc/90/26/91/370902691.db2.gz JRHFKKDKOWIVFS-AWEZNQCLSA-N 0 3 263.406 3.237 20 30 CGEDHN C=CCC[C@H](O)CN(CC=C)CCc1ccccc1 ZINC000124450947 370924904 /nfs/dbraw/zinc/92/49/04/370924904.db2.gz BJJHEAPVEBLXGV-KRWDZBQOSA-N 0 3 259.393 3.044 20 30 CGEDHN N#CCCn1cc(CN2CCCC2)c(-c2ccccc2)n1 ZINC000123930154 370917724 /nfs/dbraw/zinc/91/77/24/370917724.db2.gz OLWXOTNCRINLDP-UHFFFAOYSA-N 0 3 280.375 3.060 20 30 CGEDHN CCCN(CCC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000019846803 368772927 /nfs/dbraw/zinc/77/29/27/368772927.db2.gz VLCSALRIGRMDOE-CYBMUJFWSA-N 0 3 273.380 3.007 20 30 CGEDHN C=CCN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000035046541 368993984 /nfs/dbraw/zinc/99/39/84/368993984.db2.gz NCEFVUMKNIYUSV-SECBINFHSA-N 0 3 270.170 3.294 20 30 CGEDHN CC(C)(CC#N)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574292818 335008082 /nfs/dbraw/zinc/00/80/82/335008082.db2.gz SZDMIFOFNYFYGG-ZDUSSCGKSA-N 0 3 273.336 3.112 20 30 CGEDHN C=CCNc1nnc(SCC[C@@H]2CCCCN2C)s1 ZINC000041295356 369180919 /nfs/dbraw/zinc/18/09/19/369180919.db2.gz JNBSHSFCRYLZIH-NSHDSACASA-N 0 3 298.481 3.103 20 30 CGEDHN C[C@@H](NC[C@@H](O)C1CCCCC1)c1ccc(C#N)cc1F ZINC000330777799 203223343 /nfs/dbraw/zinc/22/33/43/203223343.db2.gz ASWHOEBKYJQLOG-SJKOYZFVSA-N 0 3 290.382 3.289 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccoc1C)C(C)C ZINC000046049258 369288282 /nfs/dbraw/zinc/28/82/82/369288282.db2.gz OLLBQPKDPHLEQY-INIZCTEOSA-N 0 3 290.407 3.016 20 30 CGEDHN N#Cc1cc(Cl)ccc1NCCN1CCCCC1 ZINC000052858024 369474000 /nfs/dbraw/zinc/47/40/00/369474000.db2.gz FCVUIKZWXXDAJW-UHFFFAOYSA-N 0 3 263.772 3.109 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000276271529 193266792 /nfs/dbraw/zinc/26/67/92/193266792.db2.gz ZKMUQPDMFANDSD-INIZCTEOSA-N 0 3 260.381 3.289 20 30 CGEDHN Cn1cccc1[C@@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000057623017 369543439 /nfs/dbraw/zinc/54/34/39/369543439.db2.gz YCJMVPFDTMKPLC-SFHVURJKSA-N 0 3 295.386 3.113 20 30 CGEDHN COC[C@H](N[C@H](CCC#N)c1ccccc1)C(C)C ZINC000090665660 370063167 /nfs/dbraw/zinc/06/31/67/370063167.db2.gz MONRGTNFJSBOON-CVEARBPZSA-N 0 3 260.381 3.292 20 30 CGEDHN CCCCCCCC(=O)NC[C@H](N)c1ccccc1 ZINC000111234280 370394489 /nfs/dbraw/zinc/39/44/89/370394489.db2.gz KTMDUWGDQDDAIV-HNNXBMFYSA-N 0 3 262.397 3.163 20 30 CGEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000512635083 245043688 /nfs/dbraw/zinc/04/36/88/245043688.db2.gz FSXZCRRHQNUEFW-HOJOPBEUSA-N 0 3 290.382 3.407 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc2c(c1)OCO2 ZINC000118391238 370614117 /nfs/dbraw/zinc/61/41/17/370614117.db2.gz DSGUNZKFSMUHMA-ZDUSSCGKSA-N 0 3 294.354 3.480 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000130061356 371010299 /nfs/dbraw/zinc/01/02/99/371010299.db2.gz HSLPHBWXSOCJTM-CZUORRHYSA-N 0 3 292.448 3.213 20 30 CGEDHN CC[C@H](c1ccncc1)N(C)CCOc1ccccc1C#N ZINC000130148142 371012894 /nfs/dbraw/zinc/01/28/94/371012894.db2.gz QPYMEFCDJIKIAT-QGZVFWFLSA-N 0 3 295.386 3.415 20 30 CGEDHN C=CCN(CCOc1ccccc1Br)C1CC1 ZINC000537858236 376204054 /nfs/dbraw/zinc/20/40/54/376204054.db2.gz XLHUQCCRMRZHFW-UHFFFAOYSA-N 0 3 296.208 3.478 20 30 CGEDHN N#Cc1ccc(CNCCCOc2ccccc2)s1 ZINC000135673593 371443075 /nfs/dbraw/zinc/44/30/75/371443075.db2.gz MTMDVNXTMNZHIC-UHFFFAOYSA-N 0 3 272.373 3.178 20 30 CGEDHN C#CCCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000150737783 371533769 /nfs/dbraw/zinc/53/37/69/371533769.db2.gz JLZOYDJVPPQZED-UHFFFAOYSA-N 0 3 298.289 3.089 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cncs1)C(C)C ZINC000152068191 371669737 /nfs/dbraw/zinc/66/97/37/371669737.db2.gz FPEWYWSYBGCTOW-CABCVRRESA-N 0 3 293.480 3.492 20 30 CGEDHN C=CCC[C@H](NC[C@H]1CCCN(C(C)=O)C1)c1ccco1 ZINC000287276690 371633582 /nfs/dbraw/zinc/63/35/82/371633582.db2.gz CSAAHOCRLSZDNS-CVEARBPZSA-N 0 3 290.407 3.135 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000151851761 371643117 /nfs/dbraw/zinc/64/31/17/371643117.db2.gz MMQXKNXPMKYQPI-SJORKVTESA-N 0 3 296.370 3.239 20 30 CGEDHN CO[C@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)s1 ZINC000421879778 371695557 /nfs/dbraw/zinc/69/55/57/371695557.db2.gz NLGGZFXNBCQMAA-WBMJQRKESA-N 0 3 286.400 3.486 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(Cc2ccccc2)CC1 ZINC000154477935 371850030 /nfs/dbraw/zinc/85/00/30/371850030.db2.gz NHZAZNIEEPIATL-UHFFFAOYSA-N 0 3 285.435 3.134 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(C)c2)sc1C ZINC000155658750 371938989 /nfs/dbraw/zinc/93/89/89/371938989.db2.gz VWNVHLLSQGWKDJ-ZDUSSCGKSA-N 0 3 285.372 3.314 20 30 CGEDHN CC#CCCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000155196422 371912670 /nfs/dbraw/zinc/91/26/70/371912670.db2.gz GXPZAVAGTNSPFI-LSDHHAIUSA-N 0 3 298.213 3.297 20 30 CGEDHN CCOCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000344124510 217061520 /nfs/dbraw/zinc/06/15/20/217061520.db2.gz XCGRDDKTOCPUEM-GFCCVEGCSA-N 0 3 278.371 3.411 20 30 CGEDHN CCN(Cc1[nH]ncc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000290449689 371991357 /nfs/dbraw/zinc/99/13/57/371991357.db2.gz OLVKDSFRYWLVOC-CYBMUJFWSA-N 0 3 268.364 3.173 20 30 CGEDHN Cc1ccccc1OCCN(C)CCC(C)(C)C#N ZINC000157477270 372024326 /nfs/dbraw/zinc/02/43/26/372024326.db2.gz GXFXMWZJOJOSJD-UHFFFAOYSA-N 0 3 260.381 3.246 20 30 CGEDHN C=C(CNCc1cn(C)nc1C(F)F)c1ccccc1 ZINC000291147600 372126850 /nfs/dbraw/zinc/12/68/50/372126850.db2.gz GVCQPJNLOXGREC-UHFFFAOYSA-N 0 3 277.318 3.161 20 30 CGEDHN CCC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000428821187 372265912 /nfs/dbraw/zinc/26/59/12/372265912.db2.gz LFUCDHZFHPKUSE-HNNXBMFYSA-N 0 3 270.376 3.017 20 30 CGEDHN C=CCSCCNCc1nc2ccc(F)cc2s1 ZINC000428862683 372272870 /nfs/dbraw/zinc/27/28/70/372272870.db2.gz VNDFNAKEJMLJJE-UHFFFAOYSA-N 0 3 282.409 3.444 20 30 CGEDHN C=C(C)CCN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429238740 372325852 /nfs/dbraw/zinc/32/58/52/372325852.db2.gz FJQOAJQUGYRHHD-CQSZACIVSA-N 0 3 262.372 3.302 20 30 CGEDHN C[C@@H](CO)N(CC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000429623209 372375618 /nfs/dbraw/zinc/37/56/18/372375618.db2.gz HVEUEDGKXATDJG-AWEZNQCLSA-N 0 3 291.822 3.317 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@H](C)NCC1(CC#N)CC1 ZINC000430736857 372393367 /nfs/dbraw/zinc/39/33/67/372393367.db2.gz GFEYXUVNNIRPKC-DZGCQCFKSA-N 0 3 258.365 3.046 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)Cc1ccccc1 ZINC000293489920 372393671 /nfs/dbraw/zinc/39/36/71/372393671.db2.gz YVNHUFKCROSDRU-KXBFYZLASA-N 0 3 294.398 3.155 20 30 CGEDHN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCC1(CC#N)CC1 ZINC000430735134 372394025 /nfs/dbraw/zinc/39/40/25/372394025.db2.gz PFBBBTXFRQFESQ-ABAIWWIYSA-N 0 3 258.340 3.342 20 30 CGEDHN COc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)CCC2 ZINC000430730334 372394883 /nfs/dbraw/zinc/39/48/83/372394883.db2.gz ALXGVHPKPURLLF-INIZCTEOSA-N 0 3 270.376 3.356 20 30 CGEDHN C=CCCC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000163383193 372465856 /nfs/dbraw/zinc/46/58/56/372465856.db2.gz QHECTYRIEWBTDI-SFHVURJKSA-N 0 3 286.419 3.124 20 30 CGEDHN N#Cc1csc(CN[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000344448749 217194600 /nfs/dbraw/zinc/19/46/00/217194600.db2.gz MQNLDVODRTUGGB-GOEBONIOSA-N 0 3 268.385 3.341 20 30 CGEDHN C=CCOCCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000294022815 372558233 /nfs/dbraw/zinc/55/82/33/372558233.db2.gz HPAYTGVHBCJZDW-GJZGRUSLSA-N 0 3 299.773 3.101 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000433110302 372581926 /nfs/dbraw/zinc/58/19/26/372581926.db2.gz ABWDQZVIIPGZHR-GOEBONIOSA-N 0 3 293.370 3.031 20 30 CGEDHN C=C(C)CN(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000433226370 372584169 /nfs/dbraw/zinc/58/41/69/372584169.db2.gz MSBWNJSCLAAUAS-MRXNPFEDSA-N 0 3 270.376 3.184 20 30 CGEDHN CN(C[C@H]1CCc2ccccc2C1)CC(C)(C)C#N ZINC000433325312 372592651 /nfs/dbraw/zinc/59/26/51/372592651.db2.gz ILFJZZGGTWSWON-AWEZNQCLSA-N 0 3 256.393 3.273 20 30 CGEDHN CCC(CC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433356102 372598201 /nfs/dbraw/zinc/59/82/01/372598201.db2.gz YEAANYUNWOROMT-INIZCTEOSA-N 0 3 272.392 3.311 20 30 CGEDHN C[C@@H](N(C)C(=O)C(C#N)CCc1ccccc1)C1(C)CC1 ZINC000433366802 372598265 /nfs/dbraw/zinc/59/82/65/372598265.db2.gz SHYHPRUBFOKLFV-ZBFHGGJFSA-N 0 3 284.403 3.406 20 30 CGEDHN N#Cc1cc(F)ccc1NC[C@@H]1CCCCN1C1CC1 ZINC000433797285 372633401 /nfs/dbraw/zinc/63/34/01/372633401.db2.gz VHEQQLZTEGNDLD-HNNXBMFYSA-N 0 3 273.355 3.126 20 30 CGEDHN Cc1ccc([C@@]2(C)CCN(Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000435042993 372728632 /nfs/dbraw/zinc/72/86/32/372728632.db2.gz OTOYIFYMPPXGKY-IBGZPJMESA-N 0 3 293.414 3.369 20 30 CGEDHN CC1(C)CCN(CC#Cc2ccccc2)CCS1 ZINC000434706928 372704651 /nfs/dbraw/zinc/70/46/51/372704651.db2.gz PBQUATCHOUIEIX-UHFFFAOYSA-N 0 3 259.418 3.256 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(F)cccc1F ZINC000435748902 372802928 /nfs/dbraw/zinc/80/29/28/372802928.db2.gz QLBMYWCHQLDSJD-XHDPSFHLSA-N 0 3 267.319 3.036 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)/C=C(\C)c2ccccc2)CC1 ZINC000171728400 372818442 /nfs/dbraw/zinc/81/84/42/372818442.db2.gz KSAKLHVMUMXAAR-DTQAZKPQSA-N 0 3 298.430 3.247 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000437570906 372852369 /nfs/dbraw/zinc/85/23/69/372852369.db2.gz RIOAPIUCGBQZIE-GOSISDBHSA-N 0 3 287.378 3.070 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C(C)C)CC1 ZINC000441441056 373012824 /nfs/dbraw/zinc/01/28/24/373012824.db2.gz RAVBUTVMDZRQTM-OAHLLOKOSA-N 0 3 280.456 3.168 20 30 CGEDHN CC1CCN(c2ccc(CN[C@H]3CC[C@@H](C#N)C3)cn2)CC1 ZINC000442715075 373066694 /nfs/dbraw/zinc/06/66/94/373066694.db2.gz KWZLYKDVQWVLIN-WBVHZDCISA-N 0 3 298.434 3.100 20 30 CGEDHN CC(C)CC(=O)Nc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442787693 373082573 /nfs/dbraw/zinc/08/25/73/373082573.db2.gz ICYQIZJEBNHRBJ-HOCLYGCPSA-N 0 3 299.418 3.453 20 30 CGEDHN CCN(CC)[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000442720432 373070504 /nfs/dbraw/zinc/07/05/04/373070504.db2.gz RKQIMSQDLHAUAX-NUEKZKHPSA-N 0 3 291.464 3.413 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000173389208 373135615 /nfs/dbraw/zinc/13/56/15/373135615.db2.gz IIIZBUZGPUMEOV-GFCCVEGCSA-N 0 3 281.421 3.274 20 30 CGEDHN Cc1ccc(C(C)(C)NCCOc2ccc(C#N)cc2)cn1 ZINC000353567771 220161133 /nfs/dbraw/zinc/16/11/33/220161133.db2.gz IIQDAKGGNLHPRM-UHFFFAOYSA-N 0 3 295.386 3.165 20 30 CGEDHN CCN(CCNCc1ccc(C#N)o1)c1cccc(C)c1 ZINC000174244474 373274956 /nfs/dbraw/zinc/27/49/56/373274956.db2.gz VYUPTEVDLJHBSS-UHFFFAOYSA-N 0 3 283.375 3.076 20 30 CGEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000444675369 373230006 /nfs/dbraw/zinc/23/00/06/373230006.db2.gz LWCWAZIDZLMINP-DOTOQJQBSA-N 0 3 299.418 3.397 20 30 CGEDHN CN(CCCSCC#N)Cc1cc(F)cc(F)c1 ZINC000444701374 373242269 /nfs/dbraw/zinc/24/22/69/373242269.db2.gz PROJVUNOSHDEIJ-UHFFFAOYSA-N 0 3 270.348 3.043 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC2(CCCC2)C1 ZINC000445856070 373317559 /nfs/dbraw/zinc/31/75/59/373317559.db2.gz BWMNKNVPAOJEAH-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCC1(C(F)(F)F)CC1)CC2 ZINC000353592687 220178401 /nfs/dbraw/zinc/17/84/01/220178401.db2.gz BHRPMISBANWBEI-ZDUSSCGKSA-N 0 3 280.293 3.478 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000298752984 373400518 /nfs/dbraw/zinc/40/05/18/373400518.db2.gz HRPVRMZEASJCKN-KRWDZBQOSA-N 0 3 281.359 3.102 20 30 CGEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2Cl)C1(C)C ZINC000300643527 373637653 /nfs/dbraw/zinc/63/76/53/373637653.db2.gz OIFJLNZNIJMHCW-KBPBESRZSA-N 0 3 278.783 3.115 20 30 CGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000301063691 373644622 /nfs/dbraw/zinc/64/46/22/373644622.db2.gz BUHAEITZAOREBO-QGZVFWFLSA-N 0 3 283.350 3.412 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000448919417 373649677 /nfs/dbraw/zinc/64/96/77/373649677.db2.gz ASJBBOMHLWSETN-ARFHVFGLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)sc1Cl ZINC000449204140 373670378 /nfs/dbraw/zinc/67/03/78/373670378.db2.gz LHADTAZRCOGEJF-MRVPVSSYSA-N 0 3 280.220 3.329 20 30 CGEDHN C=CC[C@H]1N(Cc2nccnc2OC)CCCC1(C)C ZINC000449284763 373676450 /nfs/dbraw/zinc/67/64/50/373676450.db2.gz PXLNQGWDTNLXKF-CQSZACIVSA-N 0 3 275.396 3.052 20 30 CGEDHN N#Cc1cc(NC2CCN(C3CC3)CC2)c2ccccc2n1 ZINC000301329145 373748002 /nfs/dbraw/zinc/74/80/02/373748002.db2.gz CVMCFVXYHXKYSF-UHFFFAOYSA-N 0 3 292.386 3.145 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OC)[C@H](C)C2)c1 ZINC000449497014 373791273 /nfs/dbraw/zinc/79/12/73/373791273.db2.gz JTRHHSZHCQAONK-RHSMWYFYSA-N 0 3 275.392 3.108 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCC(C)CC2)CCCC1 ZINC000449810550 373933156 /nfs/dbraw/zinc/93/31/56/373933156.db2.gz IALRDFVJYOSODM-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN CCN1CCC[C@H]1CNc1c(Cl)cccc1C#N ZINC000450217383 374004276 /nfs/dbraw/zinc/00/42/76/374004276.db2.gz PRJNXUKDHYOMOH-LBPRGKRZSA-N 0 3 263.772 3.108 20 30 CGEDHN Cc1ccc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)nc1C#N ZINC000302826752 373977690 /nfs/dbraw/zinc/97/76/90/373977690.db2.gz NDYKOPKTCQGJBZ-MAUKXSAKSA-N 0 3 292.386 3.119 20 30 CGEDHN N#Cc1csc(CN[C@@H](CCCO)c2ccccc2)c1 ZINC000304613449 374057156 /nfs/dbraw/zinc/05/71/56/374057156.db2.gz FWYVJCQLBJAPAP-INIZCTEOSA-N 0 3 286.400 3.223 20 30 CGEDHN C[C@@H](NCC1(O)CCCCCC1)c1ccc(C#N)cc1F ZINC000305801228 374113447 /nfs/dbraw/zinc/11/34/47/374113447.db2.gz DIBQOCVIAIJJAK-CYBMUJFWSA-N 0 3 290.382 3.433 20 30 CGEDHN C[C@H](NCC1(O)CCCCC1)c1ccc(C#N)cc1F ZINC000305807572 374114306 /nfs/dbraw/zinc/11/43/06/374114306.db2.gz HFKSXLIDVOHEOZ-LBPRGKRZSA-N 0 3 276.355 3.043 20 30 CGEDHN C=C(C)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000309526664 374185143 /nfs/dbraw/zinc/18/51/43/374185143.db2.gz BFCQQVDLNXUNOV-GFCCVEGCSA-N 0 3 282.181 3.438 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000183019850 374355637 /nfs/dbraw/zinc/35/56/37/374355637.db2.gz ZNYXUNAKPGUNKI-VHSXEESVSA-N 0 3 259.802 3.379 20 30 CGEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000182939492 374348096 /nfs/dbraw/zinc/34/80/96/374348096.db2.gz KIESYFBDIUXLTD-ZDUSSCGKSA-N 0 3 285.391 3.055 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2cc(F)ccc21 ZINC000183338324 374404067 /nfs/dbraw/zinc/40/40/67/374404067.db2.gz RAYYSPKNCKVNGY-MRXNPFEDSA-N 0 3 263.356 3.385 20 30 CGEDHN C[C@H](CN(C)Cc1ccccc1)/N=C/c1ccccc1O ZINC000183390828 374409365 /nfs/dbraw/zinc/40/93/65/374409365.db2.gz XNOYPEWYILXNRF-IYSPOMMRSA-N 0 3 282.387 3.332 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000185881456 374759880 /nfs/dbraw/zinc/75/98/80/374759880.db2.gz GJMBEMSWAYYTFD-ZBFHGGJFSA-N 0 3 280.375 3.044 20 30 CGEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1OC ZINC000185656399 374706320 /nfs/dbraw/zinc/70/63/20/374706320.db2.gz LRLFIAWXXITMRB-DOMZBBRYSA-N 0 3 258.365 3.187 20 30 CGEDHN CC(C)(C)Oc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185893063 374761612 /nfs/dbraw/zinc/76/16/12/374761612.db2.gz SVSHLDRQRWMTQD-HIFRSBDPSA-N 0 3 287.407 3.431 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000186712630 374904269 /nfs/dbraw/zinc/90/42/69/374904269.db2.gz SOJQPLCNVZALBI-WCQYABFASA-N 0 3 283.824 3.404 20 30 CGEDHN CCC1(CO)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187699083 375074898 /nfs/dbraw/zinc/07/48/98/375074898.db2.gz LJLAFMCDIKFHSF-CQSZACIVSA-N 0 3 272.392 3.104 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187760234 375089299 /nfs/dbraw/zinc/08/92/99/375089299.db2.gz MSBZYSDJFVKQLK-CZUORRHYSA-N 0 3 281.346 3.499 20 30 CGEDHN C=C(C)[C@H](N[C@@H]1CN(C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480693035 375160733 /nfs/dbraw/zinc/16/07/33/375160733.db2.gz BMICZBUTZSYSHH-LYRGGWFBSA-N 0 3 280.362 3.122 20 30 CGEDHN C=C(C)CN(C)CCOc1ccccc1Br ZINC000481280667 375164120 /nfs/dbraw/zinc/16/41/20/375164120.db2.gz FWWDEABZLKSQAU-UHFFFAOYSA-N 0 3 284.197 3.336 20 30 CGEDHN COCCN(CC#Cc1ccccc1)[C@@H]1CC[C@H](C)C1 ZINC000484874769 375189406 /nfs/dbraw/zinc/18/94/06/375189406.db2.gz YHBKATKBAPEGLT-FUHWJXTLSA-N 0 3 271.404 3.175 20 30 CGEDHN COCCN(CC#Cc1ccccc1)C[C@@H]1CC=CCC1 ZINC000485106275 375190569 /nfs/dbraw/zinc/19/05/69/375190569.db2.gz NROIYNYUWVFFAY-LJQANCHMSA-N 0 3 283.415 3.343 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3cccnc3)C2)s1 ZINC000335445580 375300392 /nfs/dbraw/zinc/30/03/92/375300392.db2.gz XKPSQAODOBHZTJ-ZDUSSCGKSA-N 0 3 269.373 3.004 20 30 CGEDHN C=CCCCCCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000488078422 375302870 /nfs/dbraw/zinc/30/28/70/375302870.db2.gz TVPQFLBWTBCBSF-UHFFFAOYSA-N 0 3 288.439 3.156 20 30 CGEDHN CO[C@]1(C)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000335763653 375410652 /nfs/dbraw/zinc/41/06/52/375410652.db2.gz QETKMOBPMABRNQ-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCC[C@H](O)CN(C)C/C(C)=C/c1ccccc1 ZINC000494232993 375486114 /nfs/dbraw/zinc/48/61/14/375486114.db2.gz FHDXKOYZCOFSKZ-VMEIHUARSA-N 0 3 259.393 3.349 20 30 CGEDHN C=CCN(C)CC1(COc2cccc(COC)c2)CC1 ZINC000494643065 375489725 /nfs/dbraw/zinc/48/97/25/375489725.db2.gz MPRWKUVTGMPRLE-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN C[C@H]1CC[C@@](CO)(N(C)CC#Cc2ccccc2Cl)C1 ZINC000495203095 375496841 /nfs/dbraw/zinc/49/68/41/375496841.db2.gz QFFIPQQJLPIRQW-WMLDXEAASA-N 0 3 291.822 3.174 20 30 CGEDHN Cn1cc(CN2CCC[C@H]2c2cccs2)cc1C#N ZINC000191183558 375590856 /nfs/dbraw/zinc/59/08/56/375590856.db2.gz MBHNGMBHAYPHSX-AWEZNQCLSA-N 0 3 271.389 3.295 20 30 CGEDHN N#CC(C(=O)c1cccc(F)c1)c1cnc2ccccc2n1 ZINC000190986169 375558843 /nfs/dbraw/zinc/55/88/43/375558843.db2.gz PSUSSXRZGWVGBB-CYBMUJFWSA-N 0 3 291.285 3.259 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CC2 ZINC000336004164 375610237 /nfs/dbraw/zinc/61/02/37/375610237.db2.gz GTNOYPHXEOULQO-GOSISDBHSA-N 0 3 273.339 3.207 20 30 CGEDHN C=C(C)CN(Cc1ccc(OC)cc1OC)CC1CC1 ZINC000503208053 375649956 /nfs/dbraw/zinc/64/99/56/375649956.db2.gz UPLKQZDXWKEHHX-UHFFFAOYSA-N 0 3 275.392 3.492 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000336072875 375663954 /nfs/dbraw/zinc/66/39/54/375663954.db2.gz JXZBMLLHSCDRAA-DGCLKSJQSA-N 0 3 283.331 3.041 20 30 CGEDHN CSCC[C@H](C)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192107845 375698549 /nfs/dbraw/zinc/69/85/49/375698549.db2.gz FQHXBAFMRNZXAE-NSHDSACASA-N 0 3 266.385 3.271 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000510234243 375785606 /nfs/dbraw/zinc/78/56/06/375785606.db2.gz XZTXKFACAHTMNA-HOTUBEGUSA-N 0 3 297.185 3.373 20 30 CGEDHN N#CCC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000336263725 375766328 /nfs/dbraw/zinc/76/63/28/375766328.db2.gz HVQGKPDLRZXKNY-INIZCTEOSA-N 0 3 258.340 3.439 20 30 CGEDHN C[C@@H](c1ccc2c(c1)CCC2)N1CCC(C#N)CC1 ZINC000336569216 375838166 /nfs/dbraw/zinc/83/81/66/375838166.db2.gz SSQTYSIFWWJLPL-ZDUSSCGKSA-N 0 3 254.377 3.472 20 30 CGEDHN C[C@H](c1ccc2c(c1)CCC2)N1CCC(C#N)CC1 ZINC000336569215 375838594 /nfs/dbraw/zinc/83/85/94/375838594.db2.gz SSQTYSIFWWJLPL-CYBMUJFWSA-N 0 3 254.377 3.472 20 30 CGEDHN C=CCCCN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528590073 375906264 /nfs/dbraw/zinc/90/62/64/375906264.db2.gz CQPBUEFSTKYCRE-UHFFFAOYSA-N 0 3 259.397 3.098 20 30 CGEDHN C=CCCCN1CCN(c2nc3ccccc3s2)CC1 ZINC000533957208 375956825 /nfs/dbraw/zinc/95/68/25/375956825.db2.gz WIDRFSSMLFAAMH-UHFFFAOYSA-N 0 3 287.432 3.385 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(Br)cs1 ZINC000194173184 375966846 /nfs/dbraw/zinc/96/68/46/375966846.db2.gz JDNOOJKPASRTAB-WCBMZHEXSA-N 0 3 290.226 3.098 20 30 CGEDHN C[C@H]1[C@H](Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000336710782 375913563 /nfs/dbraw/zinc/91/35/63/375913563.db2.gz KWKQOFWWJDMPOH-WMLDXEAASA-N 0 3 292.386 3.028 20 30 CGEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)c2cc(C)ccc2C)C1=O ZINC000337136325 376092480 /nfs/dbraw/zinc/09/24/80/376092480.db2.gz NDKWOVKCIQAREZ-DOTOQJQBSA-N 0 3 286.419 3.083 20 30 CGEDHN C=CCN(CC=C)C(=O)CNC1(c2ccccc2)CCCC1 ZINC000538188455 376223680 /nfs/dbraw/zinc/22/36/80/376223680.db2.gz PNMKZFRIRHYUTK-UHFFFAOYSA-N 0 3 298.430 3.246 20 30 CGEDHN CC(C)(C#N)CN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337517968 376225453 /nfs/dbraw/zinc/22/54/53/376225453.db2.gz WEPDAOKWEBZZHJ-HIFRSBDPSA-N 0 3 257.381 3.247 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337500800 376226069 /nfs/dbraw/zinc/22/60/69/376226069.db2.gz LMHQUACAAFIMRE-IMJJTQAJSA-N 0 3 257.381 3.390 20 30 CGEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000338349590 376344360 /nfs/dbraw/zinc/34/43/60/376344360.db2.gz OKXBKGQQLDUQGW-CQSZACIVSA-N 0 3 291.354 3.160 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OCC(C)C)C2)c1 ZINC000539926772 376347332 /nfs/dbraw/zinc/34/73/32/376347332.db2.gz DMKAITYWJGRTJN-GOSISDBHSA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC(C)C)cc1)C1CC1 ZINC000540053929 376354895 /nfs/dbraw/zinc/35/48/95/376354895.db2.gz KAXFBQGMULOYND-UHFFFAOYSA-N 0 3 273.376 3.402 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)CC(C)(C)C1 ZINC000542252087 376523321 /nfs/dbraw/zinc/52/33/21/376523321.db2.gz GKBIEGVYHVYNDB-CYBMUJFWSA-N 0 3 272.392 3.435 20 30 CGEDHN C[C@H](C#N)CNC1CCC(c2ccc(O)cc2)CC1 ZINC000542693017 376567674 /nfs/dbraw/zinc/56/76/74/376567674.db2.gz UOEGRUHNDHFZIF-DNOWBOINSA-N 0 3 258.365 3.168 20 30 CGEDHN COc1cc(CN2CCCCC[C@@H]2C)ccc1C#N ZINC000234966545 376626665 /nfs/dbraw/zinc/62/66/65/376626665.db2.gz NNPVLIHLZWQOJD-ZDUSSCGKSA-N 0 3 258.365 3.331 20 30 CGEDHN N#CCC1CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000544370427 376724496 /nfs/dbraw/zinc/72/44/96/376724496.db2.gz KCBSRSYYSVXTRJ-UHFFFAOYSA-N 0 3 286.404 3.059 20 30 CGEDHN N#CCCCOc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000543782013 376677990 /nfs/dbraw/zinc/67/79/90/376677990.db2.gz SEJOMVHACRFPDK-UHFFFAOYSA-N 0 3 297.402 3.495 20 30 CGEDHN CC[C@@H]1C[C@]1(NCCOCCC#N)c1cccc(C)c1 ZINC000339157704 376717123 /nfs/dbraw/zinc/71/71/23/376717123.db2.gz CKJKGIMCVNCJIB-NVXWUHKLSA-N 0 3 272.392 3.140 20 30 CGEDHN C=CCOc1cccc(CN[C@H](C)c2cc[nH]c(=O)c2)c1 ZINC000339457890 376759977 /nfs/dbraw/zinc/75/99/77/376759977.db2.gz INSFYIJTXWMBOC-CYBMUJFWSA-N 0 3 284.359 3.203 20 30 CGEDHN CC[C@H](c1ccccc1OC)N(C)CCOCCC#N ZINC000339206908 376733809 /nfs/dbraw/zinc/73/38/09/376733809.db2.gz WVLVCEJETOCOBH-OAHLLOKOSA-N 0 3 276.380 3.008 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc(F)cc2C)n1 ZINC000155903791 542125855 /nfs/dbraw/zinc/12/58/55/542125855.db2.gz AAVDLPGLSSALHC-GFCCVEGCSA-N 0 3 274.320 3.389 20 30 CGEDHN Cc1ccc2c(C[NH+]3CCC(CC#N)CC3)ccc([O-])c2n1 ZINC000554816053 376853282 /nfs/dbraw/zinc/85/32/82/376853282.db2.gz STLZTGBWHNJJAT-UHFFFAOYSA-N 0 3 295.386 3.375 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000556440516 376864324 /nfs/dbraw/zinc/86/43/24/376864324.db2.gz OEVHCJRRWNICFW-MAZHCROVSA-N 0 3 290.363 3.287 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)o2)[C@H](C)[C@H]1OC ZINC000245609779 376868447 /nfs/dbraw/zinc/86/84/47/376868447.db2.gz NLBJVTMFIIFSTR-NILFDRSVSA-N 0 3 276.380 3.081 20 30 CGEDHN C[C@H]1CCCCN1CCNc1cccc(Cl)c1C#N ZINC000561020655 377202019 /nfs/dbraw/zinc/20/20/19/377202019.db2.gz JLXJNMNQBOKVPE-LBPRGKRZSA-N 0 3 277.799 3.498 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2C2CCC2)c1F ZINC000340942018 377329985 /nfs/dbraw/zinc/32/99/85/377329985.db2.gz QKJAHCNDLCDZAD-HNNXBMFYSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2ncc(C)s2)CC1 ZINC000340844546 377283265 /nfs/dbraw/zinc/28/32/65/377283265.db2.gz YDOAMQXMEKSDBI-ZDUSSCGKSA-N 0 3 279.453 3.318 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000562442596 377309169 /nfs/dbraw/zinc/30/91/69/377309169.db2.gz UWVRDLSNEFYXIN-WMZOPIPTSA-N 0 3 289.419 3.234 20 30 CGEDHN CCC[C@H](C)[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000563263430 377430355 /nfs/dbraw/zinc/43/03/55/377430355.db2.gz GASWKCYGPOPZJJ-OZVIIMIRSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@@H](C#N)CN(CC1Cc2ccccc2C1)C1CC1 ZINC000567287760 377506155 /nfs/dbraw/zinc/50/61/55/377506155.db2.gz OMYCQQGODPMOJU-ZDUSSCGKSA-N 0 3 254.377 3.025 20 30 CGEDHN C[C@@H]1CCN(CCC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000567791303 377510364 /nfs/dbraw/zinc/51/03/64/377510364.db2.gz MZACWTQVJCUEBP-ZIAGYGMSSA-N 0 3 294.439 3.226 20 30 CGEDHN N#Cc1csc(CNCCCN2CCc3ccccc32)c1 ZINC000093492235 249037197 /nfs/dbraw/zinc/03/71/97/249037197.db2.gz SYNDALBZXHPIEX-UHFFFAOYSA-N 0 3 297.427 3.162 20 30 CGEDHN C=CCC[C@H](NC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC000569116456 377526973 /nfs/dbraw/zinc/52/69/73/377526973.db2.gz JKSRDZKHJPYNJN-RDJZCZTQSA-N 0 3 286.419 3.152 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)CC2(CCC2)O1 ZINC000570448845 377535986 /nfs/dbraw/zinc/53/59/86/377535986.db2.gz VDCSOQDULDAMCG-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN COC1CCC(N(C)Cc2ccc(C#N)cc2F)CC1 ZINC000265229883 190168045 /nfs/dbraw/zinc/16/80/45/190168045.db2.gz QGVGSGNDIOPLJF-UHFFFAOYSA-N 0 3 276.355 3.087 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1c[nH]nc1C)C(C)C ZINC000180091449 542206531 /nfs/dbraw/zinc/20/65/31/542206531.db2.gz HDJKXIVPIJOPPX-YOEHRIQHSA-N 0 3 290.455 3.067 20 30 CGEDHN CCC[C@@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000574191908 377632661 /nfs/dbraw/zinc/63/26/61/377632661.db2.gz LWXFHXRLSVKQPJ-IRXDYDNUSA-N 0 3 269.392 3.431 20 30 CGEDHN C=CCCCCNCc1cn(-c2ccccc2C)nn1 ZINC000342168663 377634139 /nfs/dbraw/zinc/63/41/39/377634139.db2.gz OVMSDKFJQYQCOB-UHFFFAOYSA-N 0 3 270.380 3.022 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]2C(F)F)cc1OC ZINC000342227101 377635466 /nfs/dbraw/zinc/63/54/66/377635466.db2.gz XUBOBUNAYCWDAV-VXGBXAGGSA-N 0 3 283.318 3.003 20 30 CGEDHN CN(CCN(CC#N)Cc1ccccc1)Cc1ccccc1 ZINC000342382484 377644507 /nfs/dbraw/zinc/64/45/07/377644507.db2.gz YHXXXSQAOVEDJJ-UHFFFAOYSA-N 0 3 293.414 3.144 20 30 CGEDHN CCCCCCCN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000252801733 377664052 /nfs/dbraw/zinc/66/40/52/377664052.db2.gz HBOSSAFWGWMGNB-HRCADAONSA-N 0 3 269.429 3.225 20 30 CGEDHN CC(C)C[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000575079494 377746373 /nfs/dbraw/zinc/74/63/73/377746373.db2.gz AEFSJKQXIJJPEI-OAHLLOKOSA-N 0 3 271.408 3.115 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000342719369 377754475 /nfs/dbraw/zinc/75/44/75/377754475.db2.gz IRVSNIUCBPAEMA-KGLIPLIRSA-N 0 3 292.448 3.308 20 30 CGEDHN CC[C@H](C)N[C@H](CNc1ncccc1C#N)c1ccco1 ZINC000343259127 377941306 /nfs/dbraw/zinc/94/13/06/377941306.db2.gz XTQIOQLHUNXDTH-GXTWGEPZSA-N 0 3 284.363 3.088 20 30 CGEDHN Cc1cnc(CCN(C)Cc2ccc(CC#N)cc2)s1 ZINC000343426396 377976977 /nfs/dbraw/zinc/97/69/77/377976977.db2.gz QJSWCNWYWXMJFV-UHFFFAOYSA-N 0 3 285.416 3.192 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000264446001 377987079 /nfs/dbraw/zinc/98/70/79/377987079.db2.gz BJSBDHYJODKRSO-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN N#CCCCN1CCC(Cc2ccccc2F)CC1 ZINC000264762983 377992973 /nfs/dbraw/zinc/99/29/73/377992973.db2.gz YWCLXUSRCWEMQP-UHFFFAOYSA-N 0 3 260.356 3.384 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2)nc1 ZINC000578586199 378083350 /nfs/dbraw/zinc/08/33/50/378083350.db2.gz MCMZXSWTMYLLMH-GOSISDBHSA-N 0 3 277.371 3.160 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000268240804 378051644 /nfs/dbraw/zinc/05/16/44/378051644.db2.gz XCDXBTVZKMLTSQ-UHFFFAOYSA-N 0 3 292.467 3.334 20 30 CGEDHN CC(C)(C)OC(=O)CCCCN1CCC(C)(C#N)CC1 ZINC000343703122 378070571 /nfs/dbraw/zinc/07/05/71/378070571.db2.gz ZJQDQYOHZCPCFW-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268552875 378073541 /nfs/dbraw/zinc/07/35/41/378073541.db2.gz MXLKEUVEGBEXME-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN N#CCSCCCN1CC[C@H](c2cccc(F)c2)C1 ZINC000266777852 378025450 /nfs/dbraw/zinc/02/54/50/378025450.db2.gz XDGACFFVGVAXQA-AWEZNQCLSA-N 0 3 278.396 3.262 20 30 CGEDHN CC1(C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000578993173 378121160 /nfs/dbraw/zinc/12/11/60/378121160.db2.gz SIGAUQZTNCMPSD-GJZGRUSLSA-N 0 3 299.374 3.477 20 30 CGEDHN C=CCCCCN(C)Cc1c(C)nc2sccn12 ZINC000579195420 378139252 /nfs/dbraw/zinc/13/92/52/378139252.db2.gz WULYUGTVZROVCF-UHFFFAOYSA-N 0 3 263.410 3.492 20 30 CGEDHN C#CCCCN[C@H]1CCOc2c(Br)cccc21 ZINC000268902960 378147062 /nfs/dbraw/zinc/14/70/62/378147062.db2.gz DFENPLFJMKVUEE-ZDUSSCGKSA-N 0 3 294.192 3.276 20 30 CGEDHN N#Cc1ncccc1S[C@H]1CCN(Cc2ccccc2)C1 ZINC000580094615 378223762 /nfs/dbraw/zinc/22/37/62/378223762.db2.gz QHYKHSKRGSCHPR-HNNXBMFYSA-N 0 3 295.411 3.320 20 30 CGEDHN CC(C)(CO)[C@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000269477178 378227289 /nfs/dbraw/zinc/22/72/89/378227289.db2.gz KWJFBWVBZOYUOW-QGZVFWFLSA-N 0 3 298.386 3.043 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](C)COC ZINC000582268588 378298741 /nfs/dbraw/zinc/29/87/41/378298741.db2.gz VNHJGFWVJDVZMZ-OAHLLOKOSA-N 0 3 279.428 3.125 20 30 CGEDHN C=CCOc1ccc(CNC(C)(C)[C@@H](C)O)cc1Cl ZINC000270720251 378393430 /nfs/dbraw/zinc/39/34/30/378393430.db2.gz NVOHEEBYMKLUON-LLVKDONJSA-N 0 3 283.799 3.154 20 30 CGEDHN Cn1cc([C@H](NCCC(C)(C)C#N)C(C)(C)C)cn1 ZINC000345946700 378417331 /nfs/dbraw/zinc/41/73/31/378417331.db2.gz GDBVIFLRJAAJKA-ZDUSSCGKSA-N 0 3 262.401 3.037 20 30 CGEDHN C[C@@H](NCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000271912484 378515001 /nfs/dbraw/zinc/51/50/01/378515001.db2.gz YFXIJWUOQQZYQM-CYBMUJFWSA-N 0 3 288.391 3.331 20 30 CGEDHN C[C@]1(CCCO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000272073840 378557069 /nfs/dbraw/zinc/55/70/69/378557069.db2.gz ZUSIPCHYRAMWFQ-QGZVFWFLSA-N 0 3 291.822 3.319 20 30 CGEDHN Cc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271964598 378531409 /nfs/dbraw/zinc/53/14/09/378531409.db2.gz SEYSPYRHHWYVRP-ACJLOTCBSA-N 0 3 298.361 3.390 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccc(F)cc1 ZINC000272287998 378605816 /nfs/dbraw/zinc/60/58/16/378605816.db2.gz NUIHRHIJPUAMKN-QGZVFWFLSA-N 0 3 289.350 3.183 20 30 CGEDHN C=CCCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000274175215 378787580 /nfs/dbraw/zinc/78/75/80/378787580.db2.gz NTVNUZFOUYETAS-ZDUSSCGKSA-N 0 3 250.411 3.003 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000266221483 190240725 /nfs/dbraw/zinc/24/07/25/190240725.db2.gz RJJOFHIRCMUUMT-NSHDSACASA-N 0 3 258.296 3.184 20 30 CGEDHN C=CC(C)(C)CCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000638453885 378808609 /nfs/dbraw/zinc/80/86/09/378808609.db2.gz BKAHWULYOPEIGA-UKRRQHHQSA-N 0 3 274.408 3.041 20 30 CGEDHN COc1ccc2c(c1)CCC[C@@H]2NCC1(CC#N)CC1 ZINC000348378651 378934093 /nfs/dbraw/zinc/93/40/93/378934093.db2.gz KBSDFCYDQSQTEZ-INIZCTEOSA-N 0 3 270.376 3.356 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2cccnc2)c1 ZINC000346997318 218084209 /nfs/dbraw/zinc/08/42/09/218084209.db2.gz YKPCBSFJTJISMP-GOSISDBHSA-N 0 3 293.370 3.169 20 30 CGEDHN C=CCCCCC[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000373284677 379254461 /nfs/dbraw/zinc/25/44/61/379254461.db2.gz AILMANFNILEGDN-OAHLLOKOSA-N 0 3 270.380 3.230 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(OC(F)F)cc2)C1 ZINC000349792975 379386470 /nfs/dbraw/zinc/38/64/70/379386470.db2.gz UQEKRYOCSCTAAA-RYUDHWBXSA-N 0 3 266.291 3.070 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000349758154 379369992 /nfs/dbraw/zinc/36/99/92/379369992.db2.gz MERAYVINKPEHRU-QWHCGFSZSA-N 0 3 289.375 3.337 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1ccccc1SCC ZINC000349839220 379416172 /nfs/dbraw/zinc/41/61/72/379416172.db2.gz YUKYMJISAIXIKN-OLZOCXBDSA-N 0 3 265.422 3.386 20 30 CGEDHN CC(C)(C#N)CCCN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375962775 379516747 /nfs/dbraw/zinc/51/67/47/379516747.db2.gz PDRQJRODVHOBJR-KRWDZBQOSA-N 0 3 290.382 3.049 20 30 CGEDHN C=CCCN[C@H](C)c1ccc(Br)cn1 ZINC000280320327 379677378 /nfs/dbraw/zinc/67/73/78/379677378.db2.gz HAOCYVDKTODCTD-SECBINFHSA-N 0 3 255.159 3.071 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000280910321 379809802 /nfs/dbraw/zinc/80/98/02/379809802.db2.gz RZJWZPUMGSLIEB-ZOWXZIJZSA-N 0 3 280.799 3.367 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cccnc1Cl ZINC000280908851 379809143 /nfs/dbraw/zinc/80/91/43/379809143.db2.gz RUQUTJKVUMANPA-BZPMIXESSA-N 0 3 280.799 3.367 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cccnc1Cl ZINC000280908870 379809349 /nfs/dbraw/zinc/80/93/49/379809349.db2.gz RUQUTJKVUMANPA-SCRDCRAPSA-N 0 3 280.799 3.367 20 30 CGEDHN COCC[C@H](c1ccccc1)N1CCC(F)(C#N)CC1 ZINC000352480453 379830514 /nfs/dbraw/zinc/83/05/14/379830514.db2.gz CCTODYNMHSKQNV-OAHLLOKOSA-N 0 3 276.355 3.092 20 30 CGEDHN C=CC[C@H](CC)NCc1cnc([C@@H]2CCCO2)s1 ZINC000281404947 379832569 /nfs/dbraw/zinc/83/25/69/379832569.db2.gz PUXJHUIXKVJCIV-AAEUAGOBSA-N 0 3 266.410 3.439 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(-c2ccccc2F)s1 ZINC000352482197 379833019 /nfs/dbraw/zinc/83/30/19/379833019.db2.gz SGGXMBQHLBISJO-LLVKDONJSA-N 0 3 277.364 3.191 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)CC1(C)C ZINC000380384440 379863716 /nfs/dbraw/zinc/86/37/16/379863716.db2.gz PQMVXAYPYDFLNT-GFCCVEGCSA-N 0 3 258.365 3.187 20 30 CGEDHN CC[C@]1(C)CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000399440310 379941236 /nfs/dbraw/zinc/94/12/36/379941236.db2.gz DUUIEWAGFNWEMY-MRXNPFEDSA-N 0 3 258.365 3.189 20 30 CGEDHN CC[C@H]1C[C@H](C)CN1Cc1cc(C#N)ccc1OC ZINC000399742144 379943455 /nfs/dbraw/zinc/94/34/55/379943455.db2.gz JJRKYACRWMRNDG-WFASDCNBSA-N 0 3 258.365 3.187 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC23CCOCC3)c(F)c1 ZINC000282575537 379948757 /nfs/dbraw/zinc/94/87/57/379948757.db2.gz FSJJBEVEJMJCAQ-INIZCTEOSA-N 0 3 288.366 3.136 20 30 CGEDHN COC(=O)[C@@H](C)CN(CCC1(C#N)CCCCC1)C1CC1 ZINC000411216651 380137170 /nfs/dbraw/zinc/13/71/70/380137170.db2.gz KBEOKGBUWCMSSH-AWEZNQCLSA-N 0 3 292.423 3.124 20 30 CGEDHN C[C@@H]1C[C@H](Nc2ncccc2C#N)CN1Cc1ccccc1 ZINC000268117711 190378096 /nfs/dbraw/zinc/37/80/96/190378096.db2.gz FDVFQMPTBKRCJH-PBHICJAKSA-N 0 3 292.386 3.028 20 30 CGEDHN C[C@H](CCC#N)N1CCC2(CC1)OCCc1ccsc12 ZINC000411481672 380147448 /nfs/dbraw/zinc/14/74/48/380147448.db2.gz BGPJRPHHKBYJPB-CYBMUJFWSA-N 0 3 290.432 3.304 20 30 CGEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CCC2)s1 ZINC000353083645 380107331 /nfs/dbraw/zinc/10/73/31/380107331.db2.gz GJBZRAYRHIBSFF-UHFFFAOYSA-N 0 3 274.311 3.442 20 30 CGEDHN C=CCC[C@H](NCCC(C)(C)S(C)(=O)=O)c1ccco1 ZINC000414258039 380205862 /nfs/dbraw/zinc/20/58/62/380205862.db2.gz LKGUXSGDLNLCQM-ZDUSSCGKSA-N 0 3 299.436 3.090 20 30 CGEDHN COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353390437 380206513 /nfs/dbraw/zinc/20/65/13/380206513.db2.gz UMXBUSVFGFXITH-SFHVURJKSA-N 0 3 278.355 3.344 20 30 CGEDHN CN(C)c1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353265047 380197554 /nfs/dbraw/zinc/19/75/54/380197554.db2.gz IFPUGEQEVONFSF-GOSISDBHSA-N 0 3 291.398 3.401 20 30 CGEDHN CCCN1CCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000353974159 380259924 /nfs/dbraw/zinc/25/99/24/380259924.db2.gz RNYOAYRBWLTERX-ZFWWWQNUSA-N 0 3 289.398 3.222 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCC[C@@H](CO)C1)c1ccco1 ZINC000414338164 380214795 /nfs/dbraw/zinc/21/47/95/380214795.db2.gz LJXDEBHMFAAGKQ-ILXRZTDVSA-N 0 3 263.381 3.428 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(C(=O)OC)c(CC)o1 ZINC000353925437 380239395 /nfs/dbraw/zinc/23/93/95/380239395.db2.gz OCUHLLWEWUZBHW-UHFFFAOYSA-N 0 3 279.380 3.321 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000414528612 380302489 /nfs/dbraw/zinc/30/24/89/380302489.db2.gz BETNNNUHXRKUTO-AWEZNQCLSA-N 0 3 283.400 3.292 20 30 CGEDHN CC#CCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000354181743 380357618 /nfs/dbraw/zinc/35/76/18/380357618.db2.gz WTJBJWVGFKUBAZ-UHFFFAOYSA-N 0 3 273.767 3.029 20 30 CGEDHN C=CCOCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000644543640 380443432 /nfs/dbraw/zinc/44/34/32/380443432.db2.gz ZHOWBBLTPZJNEY-RHSMWYFYSA-N 0 3 293.382 3.086 20 30 CGEDHN C=CCC(C)(C)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000644573690 380453029 /nfs/dbraw/zinc/45/30/29/380453029.db2.gz RQHLZIPZYVMAPW-YHWZYXNKSA-N 0 3 275.396 3.264 20 30 CGEDHN C=CCN1CCC(Nc2nccc3ccc(F)cc32)CC1 ZINC000354342546 380406741 /nfs/dbraw/zinc/40/67/41/380406741.db2.gz GFLMRTOFLJVAHB-UHFFFAOYSA-N 0 3 285.366 3.436 20 30 CGEDHN C=CCC(C)(C)CNC(=O)Nc1cccc(CNC)c1 ZINC000415931047 380516167 /nfs/dbraw/zinc/51/61/67/380516167.db2.gz LFUBOHRHEMKIOX-UHFFFAOYSA-N 0 3 275.396 3.130 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416021667 380518180 /nfs/dbraw/zinc/51/81/80/380518180.db2.gz YRWLSQCBKBKAAJ-LBPRGKRZSA-N 0 3 273.380 3.156 20 30 CGEDHN C=C(CNC[C@H](O)COc1ccccc1C)c1ccccc1 ZINC000644647228 380469643 /nfs/dbraw/zinc/46/96/43/380469643.db2.gz JDIKXQREJFNMIE-SFHVURJKSA-N 0 3 297.398 3.038 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416223186 380523905 /nfs/dbraw/zinc/52/39/05/380523905.db2.gz OKXJQBHZROWKSM-DLBZAZTESA-N 0 3 286.419 3.247 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)CCN1CCc2ccccc2C1 ZINC000416220056 380524185 /nfs/dbraw/zinc/52/41/85/380524185.db2.gz IXSMEPIZSFDYRN-GOSISDBHSA-N 0 3 298.430 3.002 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)CC(C)C ZINC000417326915 380593332 /nfs/dbraw/zinc/59/33/32/380593332.db2.gz BGCUCYFSRJNVFY-SWLSCSKDSA-N 0 3 278.371 3.409 20 30 CGEDHN N#Cc1ccc(CNCCCNc2ccccc2)c(F)c1 ZINC000355707800 380757379 /nfs/dbraw/zinc/75/73/79/380757379.db2.gz YBOXFZXJCDADNZ-UHFFFAOYSA-N 0 3 283.350 3.289 20 30 CGEDHN N#CCCC1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000574753456 335044452 /nfs/dbraw/zinc/04/44/52/335044452.db2.gz UFTCYQUWRLKLNR-UHFFFAOYSA-N 0 3 294.402 3.388 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCOCC3CCC3)CC2)cc1 ZINC000419232498 380785224 /nfs/dbraw/zinc/78/52/24/380785224.db2.gz USWKTFHMRAOSHB-UHFFFAOYSA-N 0 3 296.414 3.464 20 30 CGEDHN OCC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000421025293 380869924 /nfs/dbraw/zinc/86/99/24/380869924.db2.gz YJDBBRUHUCVEMS-HNNXBMFYSA-N 0 3 291.822 3.176 20 30 CGEDHN C[C@H]1CC2(CN1CC#Cc1ccc(F)cc1)CCOCC2 ZINC000646098406 380834349 /nfs/dbraw/zinc/83/43/49/380834349.db2.gz VVFSQHYVGTYHKB-HNNXBMFYSA-N 0 3 287.378 3.068 20 30 CGEDHN CC[C@@H]1C[C@@H](CN(C)Cc2cc(C#N)ccc2F)CCO1 ZINC000356912519 380934979 /nfs/dbraw/zinc/93/49/79/380934979.db2.gz JPFXQNJRSLHGMH-GOEBONIOSA-N 0 3 290.382 3.334 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cccnc2C#N)C1 ZINC000357172690 381051971 /nfs/dbraw/zinc/05/19/71/381051971.db2.gz NBZPJGCMXCRRMS-GDBMZVCRSA-N 0 3 292.386 3.201 20 30 CGEDHN C=CCN(Cc1cccc(OC(F)F)c1)C1CC1 ZINC000357529514 381196116 /nfs/dbraw/zinc/19/61/16/381196116.db2.gz JVCPTGIISDUVDZ-UHFFFAOYSA-N 0 3 253.292 3.438 20 30 CGEDHN C=C(CC)CN(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000358827001 381327770 /nfs/dbraw/zinc/32/77/70/381327770.db2.gz IDGIUKRRMYJVLF-UHFFFAOYSA-N 0 3 261.365 3.331 20 30 CGEDHN N#CCCN(CC1CC1)C[C@H]1CCc2ccccc2C1 ZINC000359605208 381354863 /nfs/dbraw/zinc/35/48/63/381354863.db2.gz XXPLLCGTDQDKLQ-INIZCTEOSA-N 0 3 268.404 3.417 20 30 CGEDHN CC[C@H]1[C@@H](C)CCN1Cc1cn2ccccc2c1C#N ZINC000360475311 381553999 /nfs/dbraw/zinc/55/39/99/381553999.db2.gz BJDSWRHIMCWDJI-BBRMVZONSA-N 0 3 267.376 3.431 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(N(C)CC)nc1 ZINC000361595933 381828055 /nfs/dbraw/zinc/82/80/55/381828055.db2.gz YXDGEPPNWAHGSE-UHFFFAOYSA-N 0 3 299.418 3.361 20 30 CGEDHN COCCN(Cc1cc(C#N)cs1)[C@H]1CC[C@H](C)C1 ZINC000361626147 381845382 /nfs/dbraw/zinc/84/53/82/381845382.db2.gz BMNNVZGLHFBDDV-JSGCOSHPSA-N 0 3 278.421 3.257 20 30 CGEDHN C=CCN(CCOC)[C@@H]1CCCc2ccc(F)cc21 ZINC000362059772 381882499 /nfs/dbraw/zinc/88/24/99/381882499.db2.gz XEWWAWGBCFCOEY-MRXNPFEDSA-N 0 3 263.356 3.338 20 30 CGEDHN Cc1cccc2c1ncc(C)c2NCC1(CC#N)CC1 ZINC000362356687 381955190 /nfs/dbraw/zinc/95/51/90/381955190.db2.gz BCGZVKWCLQILMI-UHFFFAOYSA-N 0 3 265.360 3.379 20 30 CGEDHN N#Cc1ccc(CNC2CCN(c3cccc(F)c3)CC2)o1 ZINC000363263821 382199805 /nfs/dbraw/zinc/19/98/05/382199805.db2.gz BYTGDGWABIBQSJ-UHFFFAOYSA-N 0 3 299.349 3.049 20 30 CGEDHN CC#CCN1CCC(n2c(C)nc3ccccc32)CC1 ZINC000366452477 382309231 /nfs/dbraw/zinc/30/92/31/382309231.db2.gz ATJNXWHNGGNSGH-UHFFFAOYSA-N 0 3 267.376 3.005 20 30 CGEDHN C#CCN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000366963551 382326390 /nfs/dbraw/zinc/32/63/90/382326390.db2.gz QFSJFFMSILDIJW-HNNXBMFYSA-N 0 3 297.320 3.396 20 30 CGEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCN1CCCCC1 ZINC000365739528 382293766 /nfs/dbraw/zinc/29/37/66/382293766.db2.gz PHNHJYCMZVRZPO-OALUTQOASA-N 0 3 297.446 3.244 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000336191100 533110003 /nfs/dbraw/zinc/11/00/03/533110003.db2.gz OZZVTXIOEJUMNL-WCQYABFASA-N 0 3 276.767 3.033 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC000333297993 542451357 /nfs/dbraw/zinc/45/13/57/542451357.db2.gz LLQYBMFGMASIPD-OCCSQVGLSA-N 0 3 284.359 3.076 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccnn1-c1ccccc1 ZINC000343451997 542500683 /nfs/dbraw/zinc/50/06/83/542500683.db2.gz QXFGGSILBXWKRO-OAHLLOKOSA-N 0 3 285.391 3.116 20 30 CGEDHN COc1cc(CNC[C@@H](OC)c2ccccc2)ccc1C#N ZINC000281583706 195298006 /nfs/dbraw/zinc/29/80/06/195298006.db2.gz DMHFJZICUYAPQE-GOSISDBHSA-N 0 3 296.370 3.044 20 30 CGEDHN C[C@@H](NCCCNc1ccccn1)c1ccc(C#N)cc1F ZINC000358571162 533385021 /nfs/dbraw/zinc/38/50/21/533385021.db2.gz OLMDPUCHFNWHHU-CYBMUJFWSA-N 0 3 298.365 3.245 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCCOC1 ZINC000358436804 533502585 /nfs/dbraw/zinc/50/25/85/533502585.db2.gz TUZMVJJCUSNTQZ-DYEKYZERSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCC1(C(=O)NCc2cccc(CN(C)C)c2)CCC1 ZINC000191717787 130285171 /nfs/dbraw/zinc/28/51/71/130285171.db2.gz QSNQGXGLFUWCTL-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191889528 130324288 /nfs/dbraw/zinc/32/42/88/130324288.db2.gz MITHJIGYVPCYIV-MRXNPFEDSA-N 0 3 285.387 3.160 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000284461721 392313678 /nfs/dbraw/zinc/31/36/78/392313678.db2.gz TYCSKAFOWYZCIG-JTQLQIEISA-N 0 3 286.828 3.313 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000361239245 392260607 /nfs/dbraw/zinc/26/06/07/392260607.db2.gz TWTTYTUMMJUCPT-HZPDHXFCSA-N 0 3 290.382 3.379 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H]1C ZINC000245460268 131084969 /nfs/dbraw/zinc/08/49/69/131084969.db2.gz VRQRIDPAKIMTBS-ZIAGYGMSSA-N 0 3 292.448 3.136 20 30 CGEDHN C=CCC[C@H](NC[C@@H](O)[C@@H](C)CC)c1ccco1 ZINC000286013351 392362452 /nfs/dbraw/zinc/36/24/52/392362452.db2.gz JHGYMOYRQURCJU-MELADBBJSA-N 0 3 251.370 3.284 20 30 CGEDHN C=CCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000121818898 392415873 /nfs/dbraw/zinc/41/58/73/392415873.db2.gz MQSCAPXCZDITSZ-LLVKDONJSA-N 0 3 259.328 3.156 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(CCc2ccccc2)CC1 ZINC000122329107 392421060 /nfs/dbraw/zinc/42/10/60/392421060.db2.gz FCIRBESNPMMKTO-UHFFFAOYSA-N 0 3 299.462 3.177 20 30 CGEDHN C#CCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000289976074 392437837 /nfs/dbraw/zinc/43/78/37/392437837.db2.gz XJEAUIBPFLRCMC-UHFFFAOYSA-N 0 3 272.323 3.170 20 30 CGEDHN Cc1cnn([C@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000290030013 392439809 /nfs/dbraw/zinc/43/98/09/392439809.db2.gz VSPWCIQHOKJTNU-PBHICJAKSA-N 0 3 280.375 3.071 20 30 CGEDHN CC(C)(CO)[C@@H](NCc1ccc(Cl)cc1C#N)C1CC1 ZINC000293207163 392521461 /nfs/dbraw/zinc/52/14/61/392521461.db2.gz XIYCZSFSYQIIPJ-HNNXBMFYSA-N 0 3 292.810 3.098 20 30 CGEDHN C=CCN(CCC1CCOCC1)Cc1cccc(C#N)c1 ZINC000292663598 392508373 /nfs/dbraw/zinc/50/83/73/392508373.db2.gz PYNJDVKXINIMCF-UHFFFAOYSA-N 0 3 284.403 3.363 20 30 CGEDHN C=CCN1CCC(Nc2cccc(C(F)(F)F)n2)CC1 ZINC000301392460 392589099 /nfs/dbraw/zinc/58/90/99/392589099.db2.gz IBKXQRLSSUZPCT-UHFFFAOYSA-N 0 3 285.313 3.163 20 30 CGEDHN C=CCN1CCC(Nc2ncnc3cccc(C)c32)CC1 ZINC000301513648 392594129 /nfs/dbraw/zinc/59/41/29/392594129.db2.gz DQLGWZJDUXERBV-UHFFFAOYSA-N 0 3 282.391 3.001 20 30 CGEDHN CCCCO[C@@H]1C[C@H](N(C)CCCC#N)C1(C)C ZINC000177734820 392667377 /nfs/dbraw/zinc/66/73/77/392667377.db2.gz ULWTWZYCGKHZLN-UONOGXRCSA-N 0 3 252.402 3.206 20 30 CGEDHN CC(C)(C)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000374293515 392675994 /nfs/dbraw/zinc/67/59/94/392675994.db2.gz PUZUTWWCUYAARV-UHFFFAOYSA-N 0 3 271.408 3.375 20 30 CGEDHN CCN(Cc1ccccc1C(C)(C)C#N)C[C@H]1CCCO1 ZINC000178535271 392680453 /nfs/dbraw/zinc/68/04/53/392680453.db2.gz STGVTVDZORDHQJ-MRXNPFEDSA-N 0 3 286.419 3.489 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000181275854 392725328 /nfs/dbraw/zinc/72/53/28/392725328.db2.gz SEFRJIZUCGPFGU-CYBMUJFWSA-N 0 3 287.325 3.117 20 30 CGEDHN Clc1ccc(C#CCN2CCC3(C2)CCOCC3)cc1 ZINC000334493075 392731170 /nfs/dbraw/zinc/73/11/70/392731170.db2.gz BINXJCPGNIFSSN-UHFFFAOYSA-N 0 3 289.806 3.194 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1cccc(Cl)c1 ZINC000182599939 392748114 /nfs/dbraw/zinc/74/81/14/392748114.db2.gz YHAGSWJKWTYXCN-RISCZKNCSA-N 0 3 280.799 3.071 20 30 CGEDHN C=CCOc1cccc(CN(C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000181096632 392718995 /nfs/dbraw/zinc/71/89/95/392718995.db2.gz VQPYYBRJLAAIEG-WMZOPIPTSA-N 0 3 289.419 3.234 20 30 CGEDHN COc1ccc([C@H]2CCCCCN2C(=O)C(C)C#N)cc1 ZINC000334338881 392720973 /nfs/dbraw/zinc/72/09/73/392720973.db2.gz ZOZNZSZRZICHMR-CZUORRHYSA-N 0 3 286.375 3.299 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)c2cccc(F)c2C#N)c1 ZINC000186636068 392784455 /nfs/dbraw/zinc/78/44/55/392784455.db2.gz USYIAAXHPFIYKU-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@]2(C1)OCc1ccccc12 ZINC000336038985 392829274 /nfs/dbraw/zinc/82/92/74/392829274.db2.gz QHLXIKBJHTWFCI-QGZVFWFLSA-N 0 3 270.376 3.058 20 30 CGEDHN C=CC[C@@H]1N(Cc2cncnc2OC)CCCC1(C)C ZINC000648029109 392876027 /nfs/dbraw/zinc/87/60/27/392876027.db2.gz WXTWJNRHWLPTRM-AWEZNQCLSA-N 0 3 275.396 3.052 20 30 CGEDHN C=CCOCCN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000339078296 392945372 /nfs/dbraw/zinc/94/53/72/392945372.db2.gz QBELGXLASGNZHQ-DOMZBBRYSA-N 0 3 283.799 3.208 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cnn(Cc2ccccc2)c1 ZINC000339085980 392948126 /nfs/dbraw/zinc/94/81/26/392948126.db2.gz SXXAADFRFMKQSM-ZVZYQTTQSA-N 0 3 294.402 3.274 20 30 CGEDHN C[C@H](CC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000404126461 392963134 /nfs/dbraw/zinc/96/31/34/392963134.db2.gz QTWATKQGKYRGTK-MRVPVSSYSA-N 0 3 260.234 3.128 20 30 CGEDHN CO[C@@](C)([C@H](C)NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000411951162 392990336 /nfs/dbraw/zinc/99/03/36/392990336.db2.gz PRZKAQDJXMSOGE-GUYCJALGSA-N 0 3 291.822 3.485 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000533446889 392996311 /nfs/dbraw/zinc/99/63/11/392996311.db2.gz WSZBLCDBMGOTOP-AEFFLSMTSA-N 0 3 280.346 3.418 20 30 CGEDHN C=CC[C@@H](C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412138620 392997009 /nfs/dbraw/zinc/99/70/09/392997009.db2.gz SRQVWIJSCDPMNG-OAHLLOKOSA-N 0 3 286.419 3.367 20 30 CGEDHN COCC1(C#N)CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000342835461 393009045 /nfs/dbraw/zinc/00/90/45/393009045.db2.gz GNBXQQUCZZJSQA-DLBZAZTESA-N 0 3 284.403 3.042 20 30 CGEDHN COCC1(C#N)CCN(CC[C@@H](C)c2ccccc2)CC1 ZINC000342841895 393010103 /nfs/dbraw/zinc/01/01/03/393010103.db2.gz UUMVXPNGEAANKS-MRXNPFEDSA-N 0 3 286.419 3.432 20 30 CGEDHN N#CC1(CN2CCC[C@H]2CCc2ccccc2)CC1 ZINC000343144138 393019841 /nfs/dbraw/zinc/01/98/41/393019841.db2.gz RXHMYKYYSJNUDF-INIZCTEOSA-N 0 3 254.377 3.387 20 30 CGEDHN CC(C#N)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000346256616 393082746 /nfs/dbraw/zinc/08/27/46/393082746.db2.gz YIMAELLYXGXXKG-JTQLQIEISA-N 0 3 296.292 3.360 20 30 CGEDHN C=CCCCCCN(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000346339245 393083523 /nfs/dbraw/zinc/08/35/23/393083523.db2.gz PGNNNKAXTVGXRK-HUUCEWRRSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](COC(F)F)C1 ZINC000348880449 393134691 /nfs/dbraw/zinc/13/46/91/393134691.db2.gz VGPGNKUKWKDRTO-ZDUSSCGKSA-N 0 3 297.345 3.313 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](COC(F)F)C2)c1 ZINC000348867190 393134880 /nfs/dbraw/zinc/13/48/80/393134880.db2.gz HXDQPFINOBJOJE-CQSZACIVSA-N 0 3 297.345 3.313 20 30 CGEDHN C=CC[C@H](CO)N[C@H]1C[C@@H](C)Sc2sccc21 ZINC000349761425 393154125 /nfs/dbraw/zinc/15/41/25/393154125.db2.gz XMFCPKBOJOXURY-FOGDFJRCSA-N 0 3 269.435 3.200 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](O)CC1CCCC1 ZINC000355295011 393296287 /nfs/dbraw/zinc/29/62/87/393296287.db2.gz QSNJVCLHVOISKP-MRXNPFEDSA-N 0 3 277.408 3.251 20 30 CGEDHN C[C@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCN1C ZINC000475516755 393406467 /nfs/dbraw/zinc/40/64/67/393406467.db2.gz OBENEVYQCOKBSO-JQWIXIFHSA-N 0 3 297.324 3.472 20 30 CGEDHN CCN(CCc1nccs1)Cc1ccc(C#N)c(C)c1 ZINC000488098753 393457973 /nfs/dbraw/zinc/45/79/73/393457973.db2.gz JFACEXBICZNRMS-UHFFFAOYSA-N 0 3 285.416 3.388 20 30 CGEDHN C=CCCCN[C@H](CCO)c1ccccc1Br ZINC000359536180 393550326 /nfs/dbraw/zinc/55/03/26/393550326.db2.gz JUYMARDPHAPTJX-CQSZACIVSA-N 0 3 298.224 3.428 20 30 CGEDHN C[C@H](CSc1nc(C(F)(F)F)ccc1C#N)N(C)C ZINC000488743148 393548943 /nfs/dbraw/zinc/54/89/43/393548943.db2.gz GXKOXUNYMRLCIN-MRVPVSSYSA-N 0 3 289.326 3.014 20 30 CGEDHN COc1ccc(CN2CC3(CCC3)C[C@@H]2C)cc1C#N ZINC000433024683 393670608 /nfs/dbraw/zinc/67/06/08/393670608.db2.gz DPKAOQLLTITJGL-ZDUSSCGKSA-N 0 3 270.376 3.331 20 30 CGEDHN Cc1cc(CNC[C@@H](c2ccsc2)N(C)C)ccc1C#N ZINC000443990531 393780125 /nfs/dbraw/zinc/78/01/25/393780125.db2.gz SWRPHBLFUBZPHZ-KRWDZBQOSA-N 0 3 299.443 3.321 20 30 CGEDHN COc1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)ccc1C#N ZINC000449534965 393887829 /nfs/dbraw/zinc/88/78/29/393887829.db2.gz HBHJVCPEZFKURJ-AEFFLSMTSA-N 0 3 282.387 3.187 20 30 CGEDHN CC[C@@H](N[C@H]1COCC1(C)C)c1ccc(C#N)cc1 ZINC000453390793 394228724 /nfs/dbraw/zinc/22/87/24/394228724.db2.gz YMCKINZLECYBAD-CABCVRRESA-N 0 3 258.365 3.024 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000669727322 543122682 /nfs/dbraw/zinc/12/26/82/543122682.db2.gz AGQFMOZCQFSTTR-HNNXBMFYSA-N 0 3 287.407 3.021 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)COc1ccccc1C(C)C ZINC000046345452 397628175 /nfs/dbraw/zinc/62/81/75/397628175.db2.gz IHURFSZMRUGIRI-MRXNPFEDSA-N 0 3 289.419 3.224 20 30 CGEDHN Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000062051272 397637623 /nfs/dbraw/zinc/63/76/23/397637623.db2.gz WVSOHCKZVXHMRY-CQSZACIVSA-N 0 3 281.359 3.143 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000650259737 397809884 /nfs/dbraw/zinc/80/98/84/397809884.db2.gz WHAQZHCEPTYGGL-QGZVFWFLSA-N 0 3 295.373 3.156 20 30 CGEDHN CCC#C[C@H](C)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000677048436 543427914 /nfs/dbraw/zinc/42/79/14/543427914.db2.gz XGZYKHBPTYUHCG-AWEZNQCLSA-N 0 3 275.367 3.471 20 30 CGEDHN COCC#CCN(Cc1ccoc1)C1CCCCC1 ZINC000677133137 543435837 /nfs/dbraw/zinc/43/58/37/543435837.db2.gz JIWQJZHYHYGMNX-UHFFFAOYSA-N 0 3 261.365 3.064 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccccc2Cl)CC1 ZINC000678049302 543479225 /nfs/dbraw/zinc/47/92/25/543479225.db2.gz GWWTWSNYDVOZIB-OAHLLOKOSA-N 0 3 295.810 3.120 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OCCC)c(OC)c1 ZINC000678745697 543553316 /nfs/dbraw/zinc/55/33/16/543553316.db2.gz SCNJVUKRQHBJGG-HIFRSBDPSA-N 0 3 293.407 3.072 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000678770033 543555524 /nfs/dbraw/zinc/55/55/24/543555524.db2.gz HMWITXWBJTXGRS-LSDHHAIUSA-N 0 3 267.376 3.325 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1cccc(Cl)c1 ZINC000678736552 543551102 /nfs/dbraw/zinc/55/11/02/543551102.db2.gz XEXNJIMSJWSBAH-ZIAGYGMSSA-N 0 3 253.773 3.318 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000678791051 543558986 /nfs/dbraw/zinc/55/89/86/543558986.db2.gz JUQOWWPWBAGUQY-LSDHHAIUSA-N 0 3 267.376 3.325 20 30 CGEDHN COCC#CCN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000678791420 543559070 /nfs/dbraw/zinc/55/90/70/543559070.db2.gz WVAZLEIMCKAWNJ-OAHLLOKOSA-N 0 3 280.371 3.049 20 30 CGEDHN N#Cc1ccc(F)c(CN(CC2CC2)CC2CC2)c1 ZINC000070505341 286989636 /nfs/dbraw/zinc/98/96/36/286989636.db2.gz YINUXNVQNMEPAL-UHFFFAOYSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2cn[nH]c21)c1ccc(C#N)cc1F ZINC000334308403 287068198 /nfs/dbraw/zinc/06/81/98/287068198.db2.gz DXDQTORAUQIYMI-BMIGLBTASA-N 0 3 284.338 3.149 20 30 CGEDHN COc1cc(CNCc2cccc(C#N)c2)ccc1C ZINC000065977013 165035368 /nfs/dbraw/zinc/03/53/68/165035368.db2.gz DOOPFWHIROWNMZ-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN Cc1ccc(CNCc2cccc(C#N)c2)cc1F ZINC000070160320 165057929 /nfs/dbraw/zinc/05/79/29/165057929.db2.gz ZHOHAICJNBCGLS-UHFFFAOYSA-N 0 3 254.308 3.296 20 30 CGEDHN COc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000087833109 165190625 /nfs/dbraw/zinc/19/06/25/165190625.db2.gz CDZDJGICQCQOLN-CHWSQXEVSA-N 0 3 258.365 3.045 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@H](COc2ccccc2)C1 ZINC000679540441 543644009 /nfs/dbraw/zinc/64/40/09/543644009.db2.gz MCVMYAXMGDZDGW-HOTGVXAUSA-N 0 3 257.377 3.189 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc2ccccc2n1 ZINC000679576579 543648075 /nfs/dbraw/zinc/64/80/75/543648075.db2.gz PTBGOUPLCDWLBY-CYBMUJFWSA-N 0 3 256.349 3.088 20 30 CGEDHN C=CCOCCN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000679576218 543648280 /nfs/dbraw/zinc/64/82/80/543648280.db2.gz KXMYJNJYQVODBC-MRXNPFEDSA-N 0 3 275.392 3.309 20 30 CGEDHN C=CCOCCN[C@H](CCC)c1ccc(OC)cc1 ZINC000679576087 543648400 /nfs/dbraw/zinc/64/84/00/543648400.db2.gz HLRKLXPJOPGIAA-MRXNPFEDSA-N 0 3 263.381 3.329 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](CC(C)C)c1cccs1 ZINC000680389871 543707041 /nfs/dbraw/zinc/70/70/41/543707041.db2.gz CWSDUDKFCXOESA-QWHCGFSZSA-N 0 3 253.411 3.362 20 30 CGEDHN CC(C#N)C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000334655965 225259546 /nfs/dbraw/zinc/25/95/46/225259546.db2.gz YFXIYKYOMUVEDA-AWEZNQCLSA-N 0 3 290.366 3.398 20 30 CGEDHN N#Cc1csc(CNCCOc2ccccc2Cl)c1 ZINC000130655211 287360381 /nfs/dbraw/zinc/36/03/81/287360381.db2.gz ZWURSVBSGIJLHH-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCc2c(cccc2C(C)C)C1 ZINC000682778986 543868079 /nfs/dbraw/zinc/86/80/79/543868079.db2.gz ANBAHXQPLSRNFN-QGZVFWFLSA-N 0 3 259.393 3.105 20 30 CGEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000347118482 226031607 /nfs/dbraw/zinc/03/16/07/226031607.db2.gz VTOQFELALBYQPF-SECBINFHSA-N 0 3 282.746 3.033 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cscc1Cl ZINC000684767959 544027968 /nfs/dbraw/zinc/02/79/68/544027968.db2.gz VRHWLURIEFGWFI-ZWNOBZJWSA-N 0 3 271.813 3.472 20 30 CGEDHN N#CCCCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000347709675 226228978 /nfs/dbraw/zinc/22/89/78/226228978.db2.gz RMVSAOXLXYJMDW-UHFFFAOYSA-N 0 3 294.402 3.051 20 30 CGEDHN C=CCOCCNCc1cscc1C(F)(F)F ZINC000685620150 544089885 /nfs/dbraw/zinc/08/98/85/544089885.db2.gz VVDADXHADCCBPU-UHFFFAOYSA-N 0 3 265.300 3.059 20 30 CGEDHN N#CC(C(=O)c1cccc2ccccc21)c1ccncn1 ZINC000354475967 227008570 /nfs/dbraw/zinc/00/85/70/227008570.db2.gz SBFCKPXLPWNMHU-OAHLLOKOSA-N 0 3 273.295 3.120 20 30 CGEDHN CC(C#N)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000336539940 227102127 /nfs/dbraw/zinc/10/21/27/227102127.db2.gz DJZKFPFGLXOTSF-GFCCVEGCSA-N 0 3 290.794 3.380 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OCC3CC3)nc2)C1 ZINC000192790625 227289029 /nfs/dbraw/zinc/28/90/29/227289029.db2.gz WSMHXBKNVDFFSV-ZBFHGGJFSA-N 0 3 285.391 3.042 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@@H]2C2CCCCC2)nn1 ZINC000653498934 419037737 /nfs/dbraw/zinc/03/77/37/419037737.db2.gz SVVNTEMKRQOFKJ-QGZVFWFLSA-N 0 3 288.439 3.399 20 30 CGEDHN C=CCN(CC[C@@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000660169415 419093046 /nfs/dbraw/zinc/09/30/46/419093046.db2.gz HVVPALRSJOCQLW-HNNXBMFYSA-N 0 3 288.416 3.140 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@H]2CC2CCCC2)nn1 ZINC000653892295 419104002 /nfs/dbraw/zinc/10/40/02/419104002.db2.gz FVFNQRDYFHQQPT-KRWDZBQOSA-N 0 3 288.439 3.399 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCCC[C@@H]2CCC)nn1 ZINC000653620744 419060689 /nfs/dbraw/zinc/06/06/89/419060689.db2.gz VXIGKTHMCJMKFS-HOCLYGCPSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H]2CCCC)nn1 ZINC000653615542 419060833 /nfs/dbraw/zinc/06/08/33/419060833.db2.gz MODIZUXEAJJFQR-HOCLYGCPSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnnn2-c2ccccc2)C1 ZINC000661385911 419256619 /nfs/dbraw/zinc/25/66/19/419256619.db2.gz QSOYWGPAFSSPOB-OAHLLOKOSA-N 0 3 282.391 3.055 20 30 CGEDHN C[C@H](CO)[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000661432478 419259276 /nfs/dbraw/zinc/25/92/76/419259276.db2.gz BMYPLVYIXOZXRU-RHSMWYFYSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCOCCN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661658517 419283544 /nfs/dbraw/zinc/28/35/44/419283544.db2.gz DJMAQWUYNLVWID-HNNXBMFYSA-N 0 3 279.355 3.174 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cc2cccc(CC)c2o1 ZINC000657484135 419290284 /nfs/dbraw/zinc/29/02/84/419290284.db2.gz CWNVWYDYFJBRRH-HNNXBMFYSA-N 0 3 273.376 3.412 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cn(C2CCC2)nn1 ZINC000657495223 419293485 /nfs/dbraw/zinc/29/34/85/419293485.db2.gz JRLZOLQYXVFUHQ-INIZCTEOSA-N 0 3 296.418 3.280 20 30 CGEDHN C=CCN(CC(=O)N[C@H](C)c1cccs1)C(C)(C)C ZINC000661754783 419295438 /nfs/dbraw/zinc/29/54/38/419295438.db2.gz AQODJFPPXMQKLC-GFCCVEGCSA-N 0 3 280.437 3.212 20 30 CGEDHN C=CCOc1ccccc1CNCCc1ccoc1 ZINC000657652338 419318984 /nfs/dbraw/zinc/31/89/84/419318984.db2.gz IPLBPLWXOHPZIR-UHFFFAOYSA-N 0 3 257.333 3.177 20 30 CGEDHN C=CCCC1(CNCc2cc(C)n(C)n2)CCCC1 ZINC000657566832 419307202 /nfs/dbraw/zinc/30/72/02/419307202.db2.gz ANKAWMOXWNNWAV-UHFFFAOYSA-N 0 3 261.413 3.345 20 30 CGEDHN C=CCC1(NCc2ccn(-c3ccccc3)n2)CCOCC1 ZINC000657633155 419317140 /nfs/dbraw/zinc/31/71/40/419317140.db2.gz IZHCURJPRKDLPR-UHFFFAOYSA-N 0 3 297.402 3.087 20 30 CGEDHN C=CCC1(NCc2cn(C(C)(C)C)nn2)CCCC1 ZINC000657702703 419329734 /nfs/dbraw/zinc/32/97/34/419329734.db2.gz OAMUXJQSEMFHKD-UHFFFAOYSA-N 0 3 262.401 3.012 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc2n[nH]cc2c1 ZINC000353286236 228079758 /nfs/dbraw/zinc/07/97/58/228079758.db2.gz KMSOHNJRIOLNFP-NSHDSACASA-N 0 3 256.353 3.153 20 30 CGEDHN Cc1cccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000330266467 228085319 /nfs/dbraw/zinc/08/53/19/228085319.db2.gz PYTPWWALXIGRIT-MAZHCROVSA-N 0 3 288.391 3.129 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000662083052 419333332 /nfs/dbraw/zinc/33/33/32/419333332.db2.gz ZLFPMSHIVXAFMA-BHYGNILZSA-N 0 3 290.451 3.349 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000662083057 419333702 /nfs/dbraw/zinc/33/37/02/419333702.db2.gz ZLFPMSHIVXAFMA-OIISXLGYSA-N 0 3 290.451 3.349 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCC1CCCCC1 ZINC000662081733 419333718 /nfs/dbraw/zinc/33/37/18/419333718.db2.gz RNYDPJDLUKUCMP-OIISXLGYSA-N 0 3 290.451 3.254 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1COc2ccccc2O1 ZINC000662082986 419333907 /nfs/dbraw/zinc/33/39/07/419333907.db2.gz ZBCSJBDZHNOUIL-QLFBSQMISA-N 0 3 271.360 3.009 20 30 CGEDHN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1ccccn1 ZINC000336041877 228181921 /nfs/dbraw/zinc/18/19/21/228181921.db2.gz FTPVSKVVECFZBI-LBPRGKRZSA-N 0 3 274.682 3.364 20 30 CGEDHN COCC1(NCC#Cc2ccc(F)cc2)CCCCC1 ZINC000662341686 419399051 /nfs/dbraw/zinc/39/90/51/419399051.db2.gz SLMRAKNAKMWBMN-UHFFFAOYSA-N 0 3 275.367 3.116 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)C1(OC)CCC1 ZINC000657879073 419400700 /nfs/dbraw/zinc/40/07/00/419400700.db2.gz IULZUMNEQJHTKD-CQSZACIVSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCCC1(CNC(=O)[C@@H](N)CC(C)C)CCCC1 ZINC000662620487 419465832 /nfs/dbraw/zinc/46/58/32/419465832.db2.gz KAIADTGMBXCWRP-AWEZNQCLSA-N 0 3 266.429 3.003 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000658210108 419661663 /nfs/dbraw/zinc/66/16/63/419661663.db2.gz OFHXEOSKQRBUIN-AWEZNQCLSA-N 0 3 270.376 3.478 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000658206565 419657496 /nfs/dbraw/zinc/65/74/96/419657496.db2.gz OWBHLCYJRYCWNY-HNNXBMFYSA-N 0 3 285.391 3.116 20 30 CGEDHN N#CCCCOc1cccc(NC2CCN(C3CC3)CC2)c1 ZINC000297852080 260135873 /nfs/dbraw/zinc/13/58/73/260135873.db2.gz OOEFCMPGJULSJA-UHFFFAOYSA-N 0 3 299.418 3.408 20 30 CGEDHN C=CCn1cccc1C(=O)Nc1ccc(C)cc1CN(C)C ZINC000488952291 260136352 /nfs/dbraw/zinc/13/63/52/260136352.db2.gz WYRZDWVAETYSJH-UHFFFAOYSA-N 0 3 297.402 3.296 20 30 CGEDHN C#CC[C@H](NCC[C@@H](O)c1ccccc1)c1ccccc1 ZINC000298716752 260161957 /nfs/dbraw/zinc/16/19/57/260161957.db2.gz AXSZABQUDRIWKE-RBUKOAKNSA-N 0 3 279.383 3.464 20 30 CGEDHN N#CC(C(=O)c1coc2ccccc12)c1ccccn1 ZINC000073088452 260164934 /nfs/dbraw/zinc/16/49/34/260164934.db2.gz DLYJBTSCWXWYBF-LBPRGKRZSA-N 0 3 262.268 3.318 20 30 CGEDHN COc1ccc([C@H](C)NCC2(CC#N)CC2)cc1OC ZINC000088249692 260229861 /nfs/dbraw/zinc/22/98/61/260229861.db2.gz XHFWBBKDBXMIPZ-LBPRGKRZSA-N 0 3 274.364 3.048 20 30 CGEDHN CN(CCC#N)c1ccc(CNCc2cccs2)cc1 ZINC000072670027 260277829 /nfs/dbraw/zinc/27/78/29/260277829.db2.gz CPGNDNILQTYHLA-UHFFFAOYSA-N 0 3 285.416 3.388 20 30 CGEDHN CC(C)CCN1Cc2cccc(N[C@H](C)C#N)c2C1 ZINC000076393647 260293445 /nfs/dbraw/zinc/29/34/45/260293445.db2.gz QGSAFZRDWIRWDV-CYBMUJFWSA-N 0 3 257.381 3.372 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(OC)cc1F ZINC000090451383 260359442 /nfs/dbraw/zinc/35/94/42/260359442.db2.gz WHDNNJZXIJQMII-GFCCVEGCSA-N 0 3 267.344 3.078 20 30 CGEDHN C=C(C)CNCc1ccc(OCc2ccncc2)cc1 ZINC000119643008 260633727 /nfs/dbraw/zinc/63/37/27/260633727.db2.gz JZWRIRFBQACLAW-UHFFFAOYSA-N 0 3 268.360 3.326 20 30 CGEDHN COCC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135223460 260918804 /nfs/dbraw/zinc/91/88/04/260918804.db2.gz OMFDCAYHURYATJ-UHFFFAOYSA-N 0 3 286.419 3.346 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000249509743 261251575 /nfs/dbraw/zinc/25/15/75/261251575.db2.gz NGNITJBJWDXNFO-RBSFLKMASA-N 0 3 266.429 3.062 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc(F)c(C)c2)n1 ZINC000103635542 261285588 /nfs/dbraw/zinc/28/55/88/261285588.db2.gz YHRUWDJYIHWSCF-NSHDSACASA-N 0 3 274.320 3.389 20 30 CGEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000491266720 261395099 /nfs/dbraw/zinc/39/50/99/261395099.db2.gz QHHBFGBTPVTJRR-GXTWGEPZSA-N 0 3 292.810 3.367 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000309829670 262029991 /nfs/dbraw/zinc/02/99/91/262029991.db2.gz RRRXMEDJVHVVRF-CQSZACIVSA-N 0 3 294.354 3.041 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(-n3cccn3)cc2)C1 ZINC000185779814 262070817 /nfs/dbraw/zinc/07/08/17/262070817.db2.gz KPYUOZYNGGAEQL-JKSUJKDBSA-N 0 3 280.375 3.044 20 30 CGEDHN COCc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000192632554 262206467 /nfs/dbraw/zinc/20/64/67/262206467.db2.gz BSFSXKWUUMHUPA-XJKSGUPXSA-N 0 3 258.365 3.005 20 30 CGEDHN CN(C)Cc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1F ZINC000192868332 262212338 /nfs/dbraw/zinc/21/23/38/262212338.db2.gz VNZAFXOUZSLGEA-XJKSGUPXSA-N 0 3 289.398 3.059 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3ncccc3c2)C1 ZINC000192976681 262213256 /nfs/dbraw/zinc/21/32/56/262213256.db2.gz XUVIYEPXMMPAJC-CJNGLKHVSA-N 0 3 265.360 3.407 20 30 CGEDHN N#CCC[C@@H](NC[C@@H]1CCC=CO1)c1ccccc1 ZINC000194523637 262238890 /nfs/dbraw/zinc/23/88/90/262238890.db2.gz WTHBZFDPKYVZPB-JKSUJKDBSA-N 0 3 256.349 3.314 20 30 CGEDHN C=CCN1CC[C@@H](N2CCCC[C@H]2c2ccc(C)cc2)C1=O ZINC000337185078 262435242 /nfs/dbraw/zinc/43/52/42/262435242.db2.gz OBFMPIHLZPWAIK-ZWKOTPCHSA-N 0 3 298.430 3.309 20 30 CGEDHN C[C@@H](CC#N)N(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412184153 262723897 /nfs/dbraw/zinc/72/38/97/262723897.db2.gz VFYIQRBOUPQWOQ-HNNXBMFYSA-N 0 3 299.418 3.047 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000272058808 263001675 /nfs/dbraw/zinc/00/16/75/263001675.db2.gz WFEWBCWPYRWYGQ-KGLIPLIRSA-N 0 3 276.380 3.107 20 30 CGEDHN N#CCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273233392 263014155 /nfs/dbraw/zinc/01/41/55/263014155.db2.gz XJWWVROGJXBMRD-UHFFFAOYSA-N 0 3 296.370 3.365 20 30 CGEDHN COc1cccc2cc([C@@H](C)NCCCC#N)oc21 ZINC000273304403 263015110 /nfs/dbraw/zinc/01/51/10/263015110.db2.gz VLNWHPKSWLQHMT-LLVKDONJSA-N 0 3 258.321 3.396 20 30 CGEDHN Cc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000274569018 263026561 /nfs/dbraw/zinc/02/65/61/263026561.db2.gz AOXPIRJMMLYJFL-OBJOEFQTSA-N 0 3 273.336 3.246 20 30 CGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000281948840 263073224 /nfs/dbraw/zinc/07/32/24/263073224.db2.gz LXNPYLXJDVOGIL-DCGLDWPTSA-N 0 3 297.402 3.378 20 30 CGEDHN Cc1ccc(CN(C)CCCC2(C#N)CCOCC2)o1 ZINC000282124258 263074452 /nfs/dbraw/zinc/07/44/52/263074452.db2.gz YBDBCTKZARFMNM-UHFFFAOYSA-N 0 3 276.380 3.120 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000282260649 263075340 /nfs/dbraw/zinc/07/53/40/263075340.db2.gz JYOGNNHNXKQTDK-PDUOOLKUSA-N 0 3 292.329 3.077 20 30 CGEDHN C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1[O-] ZINC000282471675 263077094 /nfs/dbraw/zinc/07/70/94/263077094.db2.gz WJDUIJXMCMUXSO-IYXRBSQSSA-N 0 3 258.365 3.373 20 30 CGEDHN CC(C)(C#N)CCCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289709623 263111516 /nfs/dbraw/zinc/11/15/16/263111516.db2.gz CGHXACFGHNCGJJ-ZDUSSCGKSA-N 0 3 280.803 3.113 20 30 CGEDHN C#CCN(Cc1ccccc1)CC(C)(C)CCC#N ZINC000289987173 263113641 /nfs/dbraw/zinc/11/36/41/263113641.db2.gz ZYNDNKBMZOYUDA-UHFFFAOYSA-N 0 3 254.377 3.452 20 30 CGEDHN C#C[C@@H](NCc1ccc(N(C)CCC#N)cc1)C(C)(C)C ZINC000290065081 263114661 /nfs/dbraw/zinc/11/46/61/263114661.db2.gz FMLORDIGELBBDU-QGZVFWFLSA-N 0 3 283.419 3.174 20 30 CGEDHN CC(C)c1cccc2c1CCN(CCOCCC#N)C2 ZINC000294768379 263167317 /nfs/dbraw/zinc/16/73/17/263167317.db2.gz YYNQWETWDQWGOJ-UHFFFAOYSA-N 0 3 272.392 3.098 20 30 CGEDHN C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)[C@@H](C)O1 ZINC000295696048 263181305 /nfs/dbraw/zinc/18/13/05/263181305.db2.gz LZDXJHSUAFAWBO-VDERGJSUSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(F)ccc1[O-] ZINC000296524885 263192348 /nfs/dbraw/zinc/19/23/48/263192348.db2.gz QCIGOOKCSSWZDU-MDZLAQPJSA-N 0 3 262.328 3.264 20 30 CGEDHN C[C@@H](C#N)Oc1ccccc1NC1CCN(C2CC2)CC1 ZINC000297634863 263207300 /nfs/dbraw/zinc/20/73/00/263207300.db2.gz MGKHAVGULGMVFG-ZDUSSCGKSA-N 0 3 285.391 3.016 20 30 CGEDHN Cc1cccc(CC2(O)CCN([C@@H](C)CCC#N)CC2)c1 ZINC000298574781 263222873 /nfs/dbraw/zinc/22/28/73/263222873.db2.gz QQJPNIIGNJZDKI-INIZCTEOSA-N 0 3 286.419 3.057 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000453364384 263251640 /nfs/dbraw/zinc/25/16/40/263251640.db2.gz QFVBZNNZQQYASB-WQHBLYJGSA-N 0 3 271.282 3.098 20 30 CGEDHN CC[C@H](N[C@@H](C)CCC#N)c1ccc2c(c1)OCCO2 ZINC000299725179 263254122 /nfs/dbraw/zinc/25/41/22/263254122.db2.gz UGGCTAKESASPFL-JSGCOSHPSA-N 0 3 274.364 3.191 20 30 CGEDHN C=C(C)COc1cc(CN[C@@H](CC)COC)ccc1OC ZINC000120227885 263284601 /nfs/dbraw/zinc/28/46/01/263284601.db2.gz UVJLIWMWBCUAHB-HNNXBMFYSA-N 0 3 293.407 3.165 20 30 CGEDHN N#CC(C(=O)c1cncc2ccccc21)c1ccccn1 ZINC000340877727 263311031 /nfs/dbraw/zinc/31/10/31/263311031.db2.gz OKARYBIOPWOOLP-CQSZACIVSA-N 0 3 273.295 3.120 20 30 CGEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2c(Cl)cccc21 ZINC000341893520 263366299 /nfs/dbraw/zinc/36/62/99/263366299.db2.gz YJHNFULKJMUVLL-WFASDCNBSA-N 0 3 295.810 3.328 20 30 CGEDHN COCC1(C#N)CCN(CC[C@H]2CCC[C@H](C)C2)CC1 ZINC000341983839 263370910 /nfs/dbraw/zinc/37/09/10/263370910.db2.gz FWJLZUZWBZXYHU-JKSUJKDBSA-N 0 3 278.440 3.455 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000424910253 264375653 /nfs/dbraw/zinc/37/56/53/264375653.db2.gz SIAUZNLYBVAETL-SQNIBIBYSA-N 0 3 296.414 3.311 20 30 CGEDHN C=CC[C@@H](CC)N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000280966503 264469280 /nfs/dbraw/zinc/46/92/80/264469280.db2.gz HLOCGULBOFLPCO-ZBFHGGJFSA-N 0 3 290.382 3.090 20 30 CGEDHN C=CCN(Cc1ccccc1)CC1CCC(=O)CC1 ZINC000289388276 264721732 /nfs/dbraw/zinc/72/17/32/264721732.db2.gz QQRBELMVLBEFSN-UHFFFAOYSA-N 0 3 257.377 3.434 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000291299994 264818689 /nfs/dbraw/zinc/81/86/89/264818689.db2.gz QUCYKTWOFUKPDU-UHFFFAOYSA-N 0 3 296.414 3.238 20 30 CGEDHN CCO[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442858306 265168630 /nfs/dbraw/zinc/16/86/30/265168630.db2.gz RSZWDHSJDWYEKA-FVQBIDKESA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCN(CCC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000357555598 266324005 /nfs/dbraw/zinc/32/40/05/266324005.db2.gz VINGDBVCGGIYIM-UHFFFAOYSA-N 0 3 278.783 3.319 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)C#N ZINC000357818157 266372798 /nfs/dbraw/zinc/37/27/98/266372798.db2.gz BXHUFYYLIPZRRD-VIFPVBQESA-N 0 3 268.769 3.076 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000358702691 267121634 /nfs/dbraw/zinc/12/16/34/267121634.db2.gz BMBLQLYEBWJCST-CYBMUJFWSA-N 0 3 289.338 3.001 20 30 CGEDHN N#Cc1cc(F)ccc1NC[C@H]1CCN1C1CCCC1 ZINC000528209879 270157836 /nfs/dbraw/zinc/15/78/36/270157836.db2.gz NVFNOXQAKPRMTQ-OAHLLOKOSA-N 0 3 273.355 3.126 20 30 CGEDHN COC(=O)CCC[C@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418145878 267366912 /nfs/dbraw/zinc/36/69/12/267366912.db2.gz ZCGYULFJCJXKCQ-HUUCEWRRSA-N 0 3 292.423 3.172 20 30 CGEDHN CC(C)(C)[C@H]1C[C@@H](NCC2(C#N)CCC2)CS1 ZINC000418138179 267371469 /nfs/dbraw/zinc/37/14/69/267371469.db2.gz GBZKKBWSGHRMLZ-VXGBXAGGSA-N 0 3 252.427 3.190 20 30 CGEDHN C#CCOc1ccccc1CN1CCC(OCC2CC2)CC1 ZINC000371337034 267391954 /nfs/dbraw/zinc/39/19/54/267391954.db2.gz RZEPMHCTTZQBMR-UHFFFAOYSA-N 0 3 299.414 3.090 20 30 CGEDHN C[C@@H](N[C@H]1COc2ccccc2C1)c1ccc(C#N)cc1 ZINC000181622219 274264075 /nfs/dbraw/zinc/26/40/75/274264075.db2.gz CCDHDQCBAPHALJ-CXAGYDPISA-N 0 3 278.355 3.213 20 30 CGEDHN C=CC[C@H](C)N[C@H](c1ccccc1)c1cncnc1 ZINC000349489950 277886200 /nfs/dbraw/zinc/88/62/00/277886200.db2.gz BRHLIZDAKYAGSY-XJKSGUPXSA-N 0 3 253.349 3.120 20 30 CGEDHN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccc(C#N)cc1 ZINC000160222776 278354038 /nfs/dbraw/zinc/35/40/38/278354038.db2.gz HSTSEBWUEGNOPH-IUODEOHRSA-N 0 3 258.365 3.166 20 30 CGEDHN C[C@@]1(CNCc2nc(C#N)cs2)CCCc2ccccc21 ZINC000352794018 279162163 /nfs/dbraw/zinc/16/21/63/279162163.db2.gz HFUYUOIGBDQSJE-KRWDZBQOSA-N 0 3 297.427 3.399 20 30 CGEDHN N#Cc1cccc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC000548385517 289002756 /nfs/dbraw/zinc/00/27/56/289002756.db2.gz QSYBDSNOXZDJDL-QGZVFWFLSA-N 0 3 297.402 3.294 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C1(CC)CC ZINC000554364893 289275944 /nfs/dbraw/zinc/27/59/44/289275944.db2.gz RISCFGDDZRJLEL-JKSUJKDBSA-N 0 3 287.407 3.027 20 30 CGEDHN CCN1C[C@H](C)N(CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000580258931 327750561 /nfs/dbraw/zinc/75/05/61/327750561.db2.gz OUOKVLXJRWKIJT-GJZGRUSLSA-N 0 3 290.838 3.106 20 30 CGEDHN Cc1nccn1-c1ccc([C@H](C)NCCCC#N)cc1 ZINC000183147611 327817825 /nfs/dbraw/zinc/81/78/25/327817825.db2.gz FUWMIIOWMPMMDO-ZDUSSCGKSA-N 0 3 268.364 3.135 20 30 CGEDHN C=C(C)[C@H](NCCCC(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000565163360 328054109 /nfs/dbraw/zinc/05/41/09/328054109.db2.gz KYPRODYYGUMJGY-INIZCTEOSA-N 0 3 296.361 3.040 20 30 CGEDHN C=CC[N@@H+](CCc1ccccc1)Cc1ncccc1[O-] ZINC000571364221 328116778 /nfs/dbraw/zinc/11/67/78/328116778.db2.gz ABONWOATYHHNBA-UHFFFAOYSA-N 0 3 268.360 3.018 20 30 CGEDHN C=CC[N@H+](CCc1ccccc1)Cc1ncccc1[O-] ZINC000571364221 328116779 /nfs/dbraw/zinc/11/67/79/328116779.db2.gz ABONWOATYHHNBA-UHFFFAOYSA-N 0 3 268.360 3.018 20 30 CGEDHN CC1(C#N)CCN(CCCOc2ccc(F)cc2)CC1 ZINC000272527175 328200198 /nfs/dbraw/zinc/20/01/98/328200198.db2.gz HZUBEALEJUEFKD-UHFFFAOYSA-N 0 3 276.355 3.220 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000278697902 328229926 /nfs/dbraw/zinc/22/99/26/328229926.db2.gz SUVLKHZCXODJHC-ZFWWWQNUSA-N 0 3 292.386 3.344 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000285384938 328247610 /nfs/dbraw/zinc/24/76/10/328247610.db2.gz NNMMGRXALUJVKN-GASCZTMLSA-N 0 3 272.392 3.097 20 30 CGEDHN C=C(C)CNCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000119629630 328307289 /nfs/dbraw/zinc/30/72/89/328307289.db2.gz GQJKKHWRPMMSLQ-UHFFFAOYSA-N 0 3 275.783 3.406 20 30 CGEDHN Cn1cc(CNCc2cc3c(s2)CCCC3)cc1C#N ZINC000564791398 322042905 /nfs/dbraw/zinc/04/29/05/322042905.db2.gz KXKIBGXTWJVEDE-UHFFFAOYSA-N 0 3 285.416 3.127 20 30 CGEDHN CC(C)[C@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566621693 322131759 /nfs/dbraw/zinc/13/17/59/322131759.db2.gz JEKOBDFWTOKBTK-OAHLLOKOSA-N 0 3 287.363 3.477 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3ccncc3)C2)s1 ZINC000566923636 322143116 /nfs/dbraw/zinc/14/31/16/322143116.db2.gz MSOCQJZKDJPLEK-AWEZNQCLSA-N 0 3 283.400 3.394 20 30 CGEDHN COC(=O)c1cccc(CN(C)C2(C)CCCC2)c1C#N ZINC000567994977 322187430 /nfs/dbraw/zinc/18/74/30/322187430.db2.gz CTOWGQGZSQMOEI-UHFFFAOYSA-N 0 3 286.375 3.109 20 30 CGEDHN CC[C@H](C)CN(CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000572529428 322341959 /nfs/dbraw/zinc/34/19/59/322341959.db2.gz MGOPLYBTGLENKT-LBPRGKRZSA-N 0 3 275.352 3.334 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(Cc2ccco2)CC1 ZINC000340735540 328399817 /nfs/dbraw/zinc/39/98/17/328399817.db2.gz AUHDYOQCBDSLPB-OAHLLOKOSA-N 0 3 262.397 3.142 20 30 CGEDHN C=CC[C@@H](CC)NCc1nccn1-c1ccccc1 ZINC000281498257 328501848 /nfs/dbraw/zinc/50/18/48/328501848.db2.gz WMBRUZOUCLSWMC-CQSZACIVSA-N 0 3 255.365 3.317 20 30 CGEDHN C=CCCCCCN(C)[C@H](C)C(=O)NCc1cccs1 ZINC000150902251 327209426 /nfs/dbraw/zinc/20/94/26/327209426.db2.gz NNZFWNQWVCWKAJ-CQSZACIVSA-N 0 3 294.464 3.431 20 30 CGEDHN C[C@@]1(CNC[C@H](C#N)CCC#N)CCCc2ccccc21 ZINC000561059829 327362061 /nfs/dbraw/zinc/36/20/61/327362061.db2.gz CDPMZHTWUKBACX-YJBOKZPZSA-N 0 3 281.403 3.314 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000565151864 327523020 /nfs/dbraw/zinc/52/30/20/327523020.db2.gz RMUPZMLZQWDTFM-NSHDSACASA-N 0 3 276.355 3.012 20 30 CGEDHN C=C(C)CCNCc1cc2ccccc2nc1OC ZINC000569794588 327548004 /nfs/dbraw/zinc/54/80/04/327548004.db2.gz VTAWHEKYPAAKPV-UHFFFAOYSA-N 0 3 256.349 3.299 20 30 CGEDHN C=CCC[C@@H](C)NCc1ccn(Cc2ccccc2)n1 ZINC000389701646 328950178 /nfs/dbraw/zinc/95/01/78/328950178.db2.gz XKQZBBFHECDBDA-OAHLLOKOSA-N 0 3 269.392 3.376 20 30 CGEDHN C=CCC[C@@H](O)CN1CC=C(c2ccc(OC)cc2)CC1 ZINC000378158906 329041787 /nfs/dbraw/zinc/04/17/87/329041787.db2.gz HEEIACXXDACCQA-QGZVFWFLSA-N 0 3 287.403 3.111 20 30 CGEDHN CCN(CC)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185778695 329331495 /nfs/dbraw/zinc/33/14/95/329331495.db2.gz ZGTFRICKDWVBKV-ZBFHGGJFSA-N 0 3 286.423 3.100 20 30 CGEDHN C=CC[C@H](C)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418360679 329344996 /nfs/dbraw/zinc/34/49/96/329344996.db2.gz SUNQATSINQMQSK-BBRMVZONSA-N 0 3 289.423 3.074 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@]2(C)CO)cc1Cl ZINC000530359170 329356057 /nfs/dbraw/zinc/35/60/57/329356057.db2.gz BVHPFXVIFYNRED-MRXNPFEDSA-N 0 3 295.810 3.252 20 30 CGEDHN C=CCN(CCOC)C[C@H]1CCC2(CCCCC2)O1 ZINC000189423219 329382118 /nfs/dbraw/zinc/38/21/18/329382118.db2.gz XXYZHXAISQNOJZ-OAHLLOKOSA-N 0 3 267.413 3.003 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCOc3c(F)cccc32)C1 ZINC000193333167 329440430 /nfs/dbraw/zinc/44/04/30/329440430.db2.gz VURWFVQDLDYNPI-JMSVASOKSA-N 0 3 274.339 3.321 20 30 CGEDHN COc1ccc([C@H](NCCCC#N)C2CC2)c(F)c1 ZINC000421845829 330094956 /nfs/dbraw/zinc/09/49/56/330094956.db2.gz YBLIZHOVBIGUIT-OAHLLOKOSA-N 0 3 262.328 3.179 20 30 CGEDHN C=CCCCCN[C@H](C)c1cc(C(=O)OC)co1 ZINC000278864804 330120760 /nfs/dbraw/zinc/12/07/60/330120760.db2.gz WNXLPZWXCODKNL-LLVKDONJSA-N 0 3 251.326 3.073 20 30 CGEDHN C=CCCCN(C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423212086 330177908 /nfs/dbraw/zinc/17/79/08/330177908.db2.gz LOAGNOOGULCPPC-HNNXBMFYSA-N 0 3 274.408 3.137 20 30 CGEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1-c1cccs1 ZINC000424061190 330218907 /nfs/dbraw/zinc/21/89/07/330218907.db2.gz RGQUIAPNTPHJPU-ZDUSSCGKSA-N 0 3 299.399 3.375 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccn2)C2CCC2)C1 ZINC000527962651 330300775 /nfs/dbraw/zinc/30/07/75/330300775.db2.gz HFIPVFZXHSQXSJ-XNRPHZJLSA-N 0 3 255.365 3.205 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc2ccccc2n1CCC ZINC000424175087 330315211 /nfs/dbraw/zinc/31/52/11/330315211.db2.gz PFKYAXMVNLKHPX-YOEHRIQHSA-N 0 3 299.418 3.127 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(F)cc1Cl ZINC000424177206 330317458 /nfs/dbraw/zinc/31/74/58/330317458.db2.gz SQXQERRSOVDDQB-FZMZJTMJSA-N 0 3 269.747 3.160 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OCC ZINC000424192508 330323764 /nfs/dbraw/zinc/32/37/64/330323764.db2.gz JBOGPECDKBKISE-DZGCQCFKSA-N 0 3 288.391 3.266 20 30 CGEDHN CC(C)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000424328040 330341609 /nfs/dbraw/zinc/34/16/09/330341609.db2.gz NTJBLPMJBUDPPI-LZWOXQAQSA-N 0 3 257.381 3.451 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(C)cc2)cc1 ZINC000045945917 330350144 /nfs/dbraw/zinc/35/01/44/330350144.db2.gz AEFKILRJDNRKAB-UHFFFAOYSA-N 0 3 265.356 3.297 20 30 CGEDHN C=C(CC)CN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000536889063 330363345 /nfs/dbraw/zinc/36/33/45/330363345.db2.gz HJZLXCWZCAFRSL-KRWDZBQOSA-N 0 3 286.419 3.237 20 30 CGEDHN N#CCC1(CNCc2ccc(F)c(Cl)c2)CC1 ZINC000088249882 330375057 /nfs/dbraw/zinc/37/50/57/330375057.db2.gz YFUGBYQHODDEAK-UHFFFAOYSA-N 0 3 252.720 3.263 20 30 CGEDHN C=CCC[C@H](NCc1cccnc1OCC)C1CC1 ZINC000120088586 330385377 /nfs/dbraw/zinc/38/53/77/330385377.db2.gz GHUSHWXRSZLWIY-HNNXBMFYSA-N 0 3 260.381 3.315 20 30 CGEDHN C=CC1CCN([C@@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000432821626 330608250 /nfs/dbraw/zinc/60/82/50/330608250.db2.gz ZAJUAKREWMQQDJ-NSHDSACASA-N 0 3 277.364 3.334 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(C)(C)C)s1 ZINC000449522971 330933618 /nfs/dbraw/zinc/93/36/18/330933618.db2.gz WHLLFKSDBYXAQF-OLZOCXBDSA-N 0 3 265.422 3.479 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000449549675 330936049 /nfs/dbraw/zinc/93/60/49/330936049.db2.gz ZYVLNXIDIZNDTP-JLZZUVOBSA-N 0 3 288.391 3.029 20 30 CGEDHN C=CCC[C@H](C)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449643355 330941819 /nfs/dbraw/zinc/94/18/19/330941819.db2.gz AMLYHIIZQVMVFS-SOUVJXGZSA-N 0 3 286.419 3.297 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCC1 ZINC000449854876 330952254 /nfs/dbraw/zinc/95/22/54/330952254.db2.gz YTDZYZVCODPNEQ-MRXNPFEDSA-N 0 3 290.451 3.210 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCC2)C1(CC)CC ZINC000450759801 330998504 /nfs/dbraw/zinc/99/85/04/330998504.db2.gz PPBYGWFEXDVOBE-KGLIPLIRSA-N 0 3 264.413 3.254 20 30 CGEDHN COCC1(C#N)CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000450929826 331007657 /nfs/dbraw/zinc/00/76/57/331007657.db2.gz KENYJRKWTWCBRV-CYBMUJFWSA-N 0 3 286.366 3.064 20 30 CGEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CCC1 ZINC000450980680 331009846 /nfs/dbraw/zinc/00/98/46/331009846.db2.gz NQHOQLJBSAQMRS-KURKYZTESA-N 0 3 296.414 3.185 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)cc1OC ZINC000451679415 331038709 /nfs/dbraw/zinc/03/87/09/331038709.db2.gz GTINHBYQZNEUKE-KGLIPLIRSA-N 0 3 281.783 3.172 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2ccccc2)no1 ZINC000451678521 331038761 /nfs/dbraw/zinc/03/87/61/331038761.db2.gz IMYGJALJSCXDHA-WBVHZDCISA-N 0 3 284.359 3.165 20 30 CGEDHN CC[C@H](C)N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000451844065 331044525 /nfs/dbraw/zinc/04/45/25/331044525.db2.gz OEEOGNXJBYEWQG-HNNXBMFYSA-N 0 3 290.838 3.108 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000452035018 331051295 /nfs/dbraw/zinc/05/12/95/331051295.db2.gz MZPPBHTXXSXORH-IAGOWNOFSA-N 0 3 275.367 3.115 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](Cn1cccn1)C(C)C ZINC000453103565 331089458 /nfs/dbraw/zinc/08/94/58/331089458.db2.gz BEWADGPKVGVEEL-QGZVFWFLSA-N 0 3 299.418 3.262 20 30 CGEDHN C[C@@H](NCCCC#N)c1cc(-c2ccccc2)nn1C ZINC000453193804 331099871 /nfs/dbraw/zinc/09/98/71/331099871.db2.gz MQUKHRBOSHZWHW-CYBMUJFWSA-N 0 3 268.364 3.041 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cc(-c2ccccc2)nn1C ZINC000453205585 331101231 /nfs/dbraw/zinc/10/12/31/331101231.db2.gz DICRUJIFVHLVGU-CQSZACIVSA-N 0 3 294.402 3.432 20 30 CGEDHN C=CC(C)(C)CN[C@@H](c1ccccc1)c1cncnc1 ZINC000453306046 331113948 /nfs/dbraw/zinc/11/39/48/331113948.db2.gz ITLDLFWLSXIWGE-INIZCTEOSA-N 0 3 267.376 3.368 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1OCC ZINC000453360007 331122403 /nfs/dbraw/zinc/12/24/03/331122403.db2.gz PQOIIIWHJWTKIY-IMJJTQAJSA-N 0 3 275.392 3.470 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cccc(OC)c1 ZINC000453371505 331124107 /nfs/dbraw/zinc/12/41/07/331124107.db2.gz UTVFITCQYJDOLG-XHSDSOJGSA-N 0 3 261.365 3.079 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@H]2CCC[C@H]2c2ccccc2)C1=O ZINC000459720172 331295616 /nfs/dbraw/zinc/29/56/16/331295616.db2.gz ZFDPEERSMFVARC-BZSNNMDCSA-N 0 3 298.430 3.041 20 30 CGEDHN CO[C@@H]1C[C@H](NCC#Cc2cccc(Cl)c2)C12CCC2 ZINC000459768645 331299633 /nfs/dbraw/zinc/29/96/33/331299633.db2.gz QLXKGYPIFZDMNU-JKSUJKDBSA-N 0 3 289.806 3.239 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1ccccc1F ZINC000166165112 331306693 /nfs/dbraw/zinc/30/66/93/331306693.db2.gz LKRAURLDIWURLP-HNNXBMFYSA-N 0 3 251.345 3.459 20 30 CGEDHN CC#CCCN(C)CCOc1ccc(Br)cc1 ZINC000462325282 331319865 /nfs/dbraw/zinc/31/98/65/331319865.db2.gz NFYRLGZFHVKASU-UHFFFAOYSA-N 0 3 296.208 3.173 20 30 CGEDHN CC#CCCNCc1cccc(OCC)c1OCCC ZINC000482169306 331826442 /nfs/dbraw/zinc/82/64/42/331826442.db2.gz ZYUUVCDDBMVCSX-UHFFFAOYSA-N 0 3 275.392 3.377 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000489406111 332050686 /nfs/dbraw/zinc/05/06/86/332050686.db2.gz RHYZJBMEBBKRCS-SJORKVTESA-N 0 3 289.419 3.084 20 30 CGEDHN C=C[C@H]1CCCCN1CCOc1cccc(OC)c1 ZINC000489446655 332053317 /nfs/dbraw/zinc/05/33/17/332053317.db2.gz IHIPEYKOWOJWSB-AWEZNQCLSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC000172173388 335096474 /nfs/dbraw/zinc/09/64/74/335096474.db2.gz FRVFRTGLHFJBJD-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C[C@H](C#N)CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000248708977 334314476 /nfs/dbraw/zinc/31/44/76/334314476.db2.gz IOWSEWGVGARMGL-IPYPFGDCSA-N 0 3 287.363 3.055 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)N(CCC)CCN1CCCCC1 ZINC000504091622 332703874 /nfs/dbraw/zinc/70/38/74/332703874.db2.gz SSZCVQRIJMNPIP-MRXNPFEDSA-N 0 3 295.471 3.249 20 30 CGEDHN C=C(CC)CN[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000513121821 333005476 /nfs/dbraw/zinc/00/54/76/333005476.db2.gz JINHAZMQXBLLSL-INIZCTEOSA-N 0 3 279.355 3.160 20 30 CGEDHN C=C(C)CCN[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000513127093 333005605 /nfs/dbraw/zinc/00/56/05/333005605.db2.gz CNSCHSSLDDDWIQ-MRXNPFEDSA-N 0 3 279.355 3.160 20 30 CGEDHN C=CCCCCNCc1ccc(Br)o1 ZINC000308451347 333031704 /nfs/dbraw/zinc/03/17/04/333031704.db2.gz BLYROGRRLZUQDJ-UHFFFAOYSA-N 0 3 258.159 3.488 20 30 CGEDHN C=CCN(CC)Cc1cccc(Br)c1 ZINC000514003048 333059228 /nfs/dbraw/zinc/05/92/28/333059228.db2.gz GEBXNQVHKPILOV-UHFFFAOYSA-N 0 3 254.171 3.457 20 30 CGEDHN C=CCC[C@@H](NCCOC[C@H]1CCCO1)c1ccco1 ZINC000520937405 333107932 /nfs/dbraw/zinc/10/79/32/333107932.db2.gz PXCGPHJWKDGBFD-HUUCEWRRSA-N 0 3 279.380 3.072 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1C[C@H](c2ccccc2)C[C@H]1C ZINC000523760336 333344395 /nfs/dbraw/zinc/34/43/95/333344395.db2.gz QDLNEQVRXDFMHL-SJLPKXTDSA-N 0 3 298.430 3.065 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000174345343 335153088 /nfs/dbraw/zinc/15/30/88/335153088.db2.gz KAGOFAJKKUPTIN-UHFFFAOYSA-N 0 3 272.323 3.358 20 30 CGEDHN C=C(C)COCCN[C@H]1c2cc(F)ccc2C[C@H]1C ZINC000540155801 333714643 /nfs/dbraw/zinc/71/46/43/333714643.db2.gz CJLGICKIVWSYKA-MLGOLLRUSA-N 0 3 263.356 3.241 20 30 CGEDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC#N)CC1 ZINC000542882036 333847885 /nfs/dbraw/zinc/84/78/85/333847885.db2.gz XHWRGULSIZRKKY-GFCCVEGCSA-N 0 3 273.336 3.281 20 30 CGEDHN C=CCOc1ccc(CNCCNc2cccc(C)n2)cc1 ZINC000133495474 334042942 /nfs/dbraw/zinc/04/29/42/334042942.db2.gz FNFJMWUKGVAASA-UHFFFAOYSA-N 0 3 297.402 3.157 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000133863457 334065466 /nfs/dbraw/zinc/06/54/66/334065466.db2.gz ACBONTGNUQBYHG-ROUUACIJSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)COCCNCc1ccc(OCC(F)F)cc1 ZINC000134500888 334092364 /nfs/dbraw/zinc/09/23/64/334092364.db2.gz WQFKKHODKULKKE-UHFFFAOYSA-N 0 3 285.334 3.013 20 30 CGEDHN CS[C@@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000134551558 334095001 /nfs/dbraw/zinc/09/50/01/334095001.db2.gz UDBXFOZSUFRNGN-MRXNPFEDSA-N 0 3 277.408 3.395 20 30 CGEDHN C=CCOCCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000549860973 334207223 /nfs/dbraw/zinc/20/72/23/334207223.db2.gz UTQSXEPKUOALKK-BBRMVZONSA-N 0 3 263.356 3.411 20 30 CGEDHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000245937781 334224692 /nfs/dbraw/zinc/22/46/92/334224692.db2.gz ZTPAELSCTXSEBG-HUUCEWRRSA-N 0 3 293.455 3.086 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000551423607 334250099 /nfs/dbraw/zinc/25/00/99/334250099.db2.gz NVTGOTACZREBRM-DLBZAZTESA-N 0 3 289.806 3.335 20 30 CGEDHN CCCC(=O)Nc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000576302744 335187028 /nfs/dbraw/zinc/18/70/28/335187028.db2.gz USASKEUCRTVURB-DZGCQCFKSA-N 0 3 285.391 3.207 20 30 CGEDHN CN(CCOCc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343540445 335208558 /nfs/dbraw/zinc/20/85/58/335208558.db2.gz RLTMYXWWMBPEEH-UHFFFAOYSA-N 0 3 294.398 3.401 20 30 CGEDHN CCS[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000176982807 335351484 /nfs/dbraw/zinc/35/14/84/335351484.db2.gz VAYAJLMBUMNCMU-BXUZGUMPSA-N 0 3 264.394 3.305 20 30 CGEDHN C[C@H](NC(C)(C)CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000577485468 335357535 /nfs/dbraw/zinc/35/75/35/335357535.db2.gz WFLVLBVGSUBHAR-HOTGVXAUSA-N 0 3 298.434 3.149 20 30 CGEDHN C[C@H]1CCCC[C@H]1OCCNCc1cc(C#N)cs1 ZINC000177687850 335379230 /nfs/dbraw/zinc/37/92/30/335379230.db2.gz FCSRHKBZQHMFTK-SWLSCSKDSA-N 0 3 278.421 3.305 20 30 CGEDHN C[C@@H]1Cc2ccccc2N1CCNCc1cc(C#N)cs1 ZINC000177691872 335379266 /nfs/dbraw/zinc/37/92/66/335379266.db2.gz GJRSGALORLCCBB-CYBMUJFWSA-N 0 3 297.427 3.161 20 30 CGEDHN C[C@H](CNCc1cc(C#N)cs1)Oc1ccccc1 ZINC000177701557 335379992 /nfs/dbraw/zinc/37/99/92/335379992.db2.gz LSYWUOFZVGZNEI-GFCCVEGCSA-N 0 3 272.373 3.177 20 30 CGEDHN C[C@H](NCCN(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000180139307 335553744 /nfs/dbraw/zinc/55/37/44/335553744.db2.gz QPQIPILJYLBHGQ-HNNXBMFYSA-N 0 3 279.387 3.345 20 30 CGEDHN C=CCC[C@H](C)NCC(=O)Nc1ccc(Cl)cc1 ZINC000185182609 335948407 /nfs/dbraw/zinc/94/84/07/335948407.db2.gz WLGOSELKPOKZQC-NSHDSACASA-N 0 3 266.772 3.223 20 30 CGEDHN CCC1CCC(N(C)Cc2ccc(C#N)cn2)CC1 ZINC000581200380 336023882 /nfs/dbraw/zinc/02/38/82/336023882.db2.gz GEEMABFBXFDEJE-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](OC)[C@@H](C)CC)cc1 ZINC000381227761 336055626 /nfs/dbraw/zinc/05/56/26/336055626.db2.gz ABJOWTNJIJWIRA-YOEHRIQHSA-N 0 3 277.408 3.402 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1nc(C)c(C)[nH]1 ZINC000581559486 336103238 /nfs/dbraw/zinc/10/32/38/336103238.db2.gz AVUVBILCTMFSNX-MRXNPFEDSA-N 0 3 269.392 3.304 20 30 CGEDHN COc1cc(CN[C@H]2CCCC(F)(F)C2)ccc1C#N ZINC000440608063 533904397 /nfs/dbraw/zinc/90/43/97/533904397.db2.gz DQHYHLDIGVETDW-ZDUSSCGKSA-N 0 3 280.318 3.234 20 30 CGEDHN CS[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358555547 533922462 /nfs/dbraw/zinc/92/24/62/533922462.db2.gz AKYXABRPYMMNCW-UWVGGRQHSA-N 0 3 252.358 3.099 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1C ZINC000336603465 534220771 /nfs/dbraw/zinc/22/07/71/534220771.db2.gz WGKZFNRELCYCQF-HIFRSBDPSA-N 0 3 256.349 3.127 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000184274529 519105072 /nfs/dbraw/zinc/10/50/72/519105072.db2.gz QLRUKTXCYCSZIC-INIZCTEOSA-N 0 3 298.386 3.209 20 30 CGEDHN C=CCCC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000263741221 534611849 /nfs/dbraw/zinc/61/18/49/534611849.db2.gz APKAOWLOXQNOGN-UHFFFAOYSA-N 0 3 286.419 3.042 20 30 CGEDHN C[C@H](N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000157743614 525575482 /nfs/dbraw/zinc/57/54/82/525575482.db2.gz FTVZJJKJCPQJLW-KHIZAZIESA-N 0 3 288.366 3.306 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCSC(C)(C)C1 ZINC000083415596 526035545 /nfs/dbraw/zinc/03/55/45/526035545.db2.gz ARPKZPKAFQLXEW-LBPRGKRZSA-N 0 3 260.406 3.447 20 30 CGEDHN C=CCN(Cc1c[nH]c2nccnc12)Cc1ccccc1 ZINC000356053817 526381700 /nfs/dbraw/zinc/38/17/00/526381700.db2.gz JDRUUXABVLQIKB-UHFFFAOYSA-N 0 3 278.359 3.098 20 30 CGEDHN Cc1csc([C@@H](C)CNCc2ccc(C#N)s2)n1 ZINC000184115358 526405215 /nfs/dbraw/zinc/40/52/15/526405215.db2.gz HPULRGWQGILGKD-VIFPVBQESA-N 0 3 277.418 3.278 20 30 CGEDHN C=CCOCCCN(Cc1cccs1)C1CC1 ZINC000347969388 526749236 /nfs/dbraw/zinc/74/92/36/526749236.db2.gz LHFHSOJOYWFACL-UHFFFAOYSA-N 0 3 251.395 3.305 20 30 CGEDHN C=CCc1cc(CNC[C@H](CCC)OC)cc(OC)c1O ZINC000295112475 527242051 /nfs/dbraw/zinc/24/20/51/527242051.db2.gz LUVUNYXBNVFQDX-HNNXBMFYSA-N 0 3 293.407 3.034 20 30 CGEDHN CC(C)CC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540511 527812302 /nfs/dbraw/zinc/81/23/02/527812302.db2.gz VOOKSILSJGCVPH-WMLDXEAASA-N 0 3 274.408 3.348 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439467172 527972696 /nfs/dbraw/zinc/97/26/96/527972696.db2.gz YHZMPGCMVZNBPC-OLZOCXBDSA-N 0 3 291.826 3.126 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCC2 ZINC000359000568 528099403 /nfs/dbraw/zinc/09/94/03/528099403.db2.gz JGLIQVSFAVSGGL-CABCVRRESA-N 0 3 288.366 3.135 20 30 CGEDHN CCN(CCCN1CCCC1)c1cc(C(C)=O)ccc1C#N ZINC000425258591 528450804 /nfs/dbraw/zinc/45/08/04/528450804.db2.gz UBPYVNRCLJCPOJ-UHFFFAOYSA-N 0 3 299.418 3.073 20 30 CGEDHN CC(C)[C@H](C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441233282 528959625 /nfs/dbraw/zinc/95/96/25/528959625.db2.gz MNSCAJCODKJVTI-LBPRGKRZSA-N 0 3 284.363 3.085 20 30 CGEDHN CC[C@@H]1CCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000449404645 529286665 /nfs/dbraw/zinc/28/66/65/529286665.db2.gz CZDKNHIVXUUBCH-NEPJUHHUSA-N 0 3 263.410 3.321 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000354648900 529301514 /nfs/dbraw/zinc/30/15/14/529301514.db2.gz NNGRNNGBZYXIEA-GZBFAFLISA-N 0 3 290.407 3.478 20 30 CGEDHN C=CCN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000725799461 572407342 /nfs/dbraw/zinc/40/73/42/572407342.db2.gz UZHRHSPPSUTVJP-LSDHHAIUSA-N 0 3 294.439 3.426 20 30 CGEDHN Cc1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cc1F ZINC000731486272 572414256 /nfs/dbraw/zinc/41/42/56/572414256.db2.gz SLSCFYMAIVZBKY-UHFFFAOYSA-N 0 3 268.295 3.456 20 30 CGEDHN C#CCN(Cc1ncc(C)c(OC)c1C)C1CCCCC1 ZINC000731890746 572433927 /nfs/dbraw/zinc/43/39/27/572433927.db2.gz YVLCRKGMAFZDJW-UHFFFAOYSA-N 0 3 286.419 3.475 20 30 CGEDHN CCCCCCCN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000740877408 572464948 /nfs/dbraw/zinc/46/49/48/572464948.db2.gz LWFAZPYQUPTPFG-MRXNPFEDSA-N 0 3 280.456 3.434 20 30 CGEDHN CCCCCCCCN[C@](C)(C(N)=O)c1ccccc1 ZINC000740876595 572465342 /nfs/dbraw/zinc/46/53/42/572465342.db2.gz VDIIBIFXJSPQLV-KRWDZBQOSA-N 0 3 276.424 3.337 20 30 CGEDHN C#CCN(CCCOC(C)C)[C@@H]1CCc2ccccc21 ZINC000741776543 572526265 /nfs/dbraw/zinc/52/62/65/572526265.db2.gz LTRJEDWLZRTILU-GOSISDBHSA-N 0 3 271.404 3.424 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)/C=C(/C)C(C)(C)C)CC1 ZINC000742642357 572602646 /nfs/dbraw/zinc/60/26/46/572602646.db2.gz JDJOFMCFNGOAOX-KAMYIIQDSA-N 0 3 278.440 3.136 20 30 CGEDHN CCCCCC[C@@H](C)NN=C1CCN(C)[C@@H](C)C1 ZINC000743450551 572663033 /nfs/dbraw/zinc/66/30/33/572663033.db2.gz MCEFGKKKGMRWRS-KGLIPLIRSA-N 0 3 253.434 3.405 20 30 CGEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000744028067 572698022 /nfs/dbraw/zinc/69/80/22/572698022.db2.gz FLFWSUDZKHZHLW-GXTWGEPZSA-N 0 3 296.326 3.039 20 30 CGEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000744028070 572698075 /nfs/dbraw/zinc/69/80/75/572698075.db2.gz FLFWSUDZKHZHLW-TZMCWYRMSA-N 0 3 296.326 3.039 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3C=CCC3)nc21 ZINC000735790566 572740435 /nfs/dbraw/zinc/74/04/35/572740435.db2.gz NIDKPSIKQJHFTO-QWHCGFSZSA-N 0 3 279.343 3.404 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@H]3C=CCC3)[nH]c21 ZINC000735790566 572740439 /nfs/dbraw/zinc/74/04/39/572740439.db2.gz NIDKPSIKQJHFTO-QWHCGFSZSA-N 0 3 279.343 3.404 20 30 CGEDHN CCCCCCCN1CCCN(c2nc(C)ns2)CC1 ZINC000744418838 572751164 /nfs/dbraw/zinc/75/11/64/572751164.db2.gz AWCXQDNDZKFEAG-UHFFFAOYSA-N 0 3 296.484 3.329 20 30 CGEDHN C#CCN(Cc1ccc(OC)cc1OC)C1CCCC1 ZINC000746153637 572857603 /nfs/dbraw/zinc/85/76/03/572857603.db2.gz SUMTUQZUMJTAMV-UHFFFAOYSA-N 0 3 273.376 3.082 20 30 CGEDHN COc1ccc(CNc2ccnc3ccccc32)cc1C#N ZINC000746704589 572892644 /nfs/dbraw/zinc/89/26/44/572892644.db2.gz DNRYBBBHVDLDKX-UHFFFAOYSA-N 0 3 289.338 3.149 20 30 CGEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000750690395 573161648 /nfs/dbraw/zinc/16/16/48/573161648.db2.gz PNFIVRYBAYGJOV-JTQLQIEISA-N 0 3 254.289 3.194 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSC(F)F)nc21 ZINC000835173188 634381269 /nfs/dbraw/zinc/38/12/69/634381269.db2.gz OSHJRUCMKBIVMC-QMMMGPOBSA-N 0 3 295.314 3.003 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819729109 607085282 /nfs/dbraw/zinc/08/52/82/607085282.db2.gz CLXBGMBXRYZLFV-YNEHKIRRSA-N 0 3 285.395 3.118 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819729109 607085283 /nfs/dbraw/zinc/08/52/83/607085283.db2.gz CLXBGMBXRYZLFV-YNEHKIRRSA-N 0 3 285.395 3.118 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000969707003 613302059 /nfs/dbraw/zinc/30/20/59/613302059.db2.gz PZFCQODWJYYHLQ-OFQRWUPVSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974944272 613341486 /nfs/dbraw/zinc/34/14/86/613341486.db2.gz IEPDPOYOCJKIEJ-HNNXBMFYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCC2CCCCCC2)C1 ZINC000971953066 613611585 /nfs/dbraw/zinc/61/15/85/613611585.db2.gz AEBRHLHSYDFKKE-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCC2CCCCCC2)C1 ZINC000971953065 613627128 /nfs/dbraw/zinc/62/71/28/613627128.db2.gz AEBRHLHSYDFKKE-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC000969103414 613686502 /nfs/dbraw/zinc/68/65/02/613686502.db2.gz RUOWIXFGZBGLPM-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccsc2Cl)C[C@@H]1C ZINC000947779396 613756722 /nfs/dbraw/zinc/75/67/22/613756722.db2.gz OZOAPZVOADQNPR-WDEREUQCSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000940656281 613780257 /nfs/dbraw/zinc/78/02/57/613780257.db2.gz BLRNAOPRFVJGRO-ZDUSSCGKSA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000940886787 613784068 /nfs/dbraw/zinc/78/40/68/613784068.db2.gz SIUDDXOCTPSDEU-KFWWJZLASA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)sc2C)C[C@H]1C ZINC000947515640 613788261 /nfs/dbraw/zinc/78/82/61/613788261.db2.gz MPFZEWLORVVBEU-RISCZKNCSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)C[C@H]1C ZINC000948072639 613794324 /nfs/dbraw/zinc/79/43/24/613794324.db2.gz AOUKIJRANMPEJF-KGLIPLIRSA-N 0 3 290.407 3.172 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2CCC)C[C@@H]1C ZINC000947925573 613794329 /nfs/dbraw/zinc/79/43/29/613794329.db2.gz QIQFTLDCMYDTFW-KBPBESRZSA-N 0 3 290.407 3.001 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cscc2Cl)C[C@H]1C ZINC000947427310 613799762 /nfs/dbraw/zinc/79/97/62/613799762.db2.gz ZZGUIOAPLNNQFM-MNOVXSKESA-N 0 3 298.839 3.170 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCCOC(C)C ZINC000778152350 617793173 /nfs/dbraw/zinc/79/31/73/617793173.db2.gz UZZBZGLEYGZROR-UHFFFAOYSA-N 0 3 295.810 3.257 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810910269 618062268 /nfs/dbraw/zinc/06/22/68/618062268.db2.gz FVEOTWWIVULJJW-XJKSGUPXSA-N 0 3 284.419 3.060 20 30 CGEDHN CCC#C[C@H](C)N1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000933074198 618138476 /nfs/dbraw/zinc/13/84/76/618138476.db2.gz YJQIKKUUPPVTKI-DOTOQJQBSA-N 0 3 299.414 3.139 20 30 CGEDHN C#C[C@H](NCc1ccccc1OC(F)F)C(C)C ZINC000306004391 618139849 /nfs/dbraw/zinc/13/98/49/618139849.db2.gz VSVJUCNIWRUDSN-LBPRGKRZSA-N 0 3 253.292 3.035 20 30 CGEDHN CC(C)(CC#N)CN[C@H](c1ccccn1)C1CCC1 ZINC000926568136 618748000 /nfs/dbraw/zinc/74/80/00/618748000.db2.gz KRXWOYNZPMODMG-HNNXBMFYSA-N 0 3 257.381 3.452 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCF)cc1 ZINC000892489156 618808176 /nfs/dbraw/zinc/80/81/76/618808176.db2.gz FJNLGCSRYRZWLU-AWEZNQCLSA-N 0 3 290.338 3.036 20 30 CGEDHN CC[C@H](C[C@@](C)(O)CC)NCC1(C#N)CCCCC1 ZINC000926712844 618834268 /nfs/dbraw/zinc/83/42/68/618834268.db2.gz NTEUADYJTJOGFC-CABCVRRESA-N 0 3 266.429 3.380 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001007665196 618918850 /nfs/dbraw/zinc/91/88/50/618918850.db2.gz JYDHUYJYEUUPND-AWEZNQCLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008763208 619159116 /nfs/dbraw/zinc/15/91/16/619159116.db2.gz XWFKSNUPASTIJM-LBPRGKRZSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCCCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000894833379 619647416 /nfs/dbraw/zinc/64/74/16/619647416.db2.gz SURAPVXVJABVLE-JKSUJKDBSA-N 0 3 293.455 3.001 20 30 CGEDHN C[C@@H](NN=Cc1ccc(N(C)CCC#N)cc1)C(C)(C)C ZINC000793117400 619681451 /nfs/dbraw/zinc/68/14/51/619681451.db2.gz XEKGZSYPZSSKIQ-CQSZACIVSA-N 0 3 286.423 3.395 20 30 CGEDHN CC(C)[C@@H]1N(CC#Cc2ccccc2)CC12CCOCC2 ZINC000894919280 619682784 /nfs/dbraw/zinc/68/27/84/619682784.db2.gz HAOVMILCSOTLQM-SFHVURJKSA-N 0 3 283.415 3.175 20 30 CGEDHN C=CCC1(O)CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000895834276 619894972 /nfs/dbraw/zinc/89/49/72/619894972.db2.gz JTIXTQVXVFAOPA-UHFFFAOYSA-N 0 3 270.376 3.071 20 30 CGEDHN O=C1C=COC2(CCN(c3ccnc4ccccc43)CC2)C1 ZINC000896880693 620083509 /nfs/dbraw/zinc/08/35/09/620083509.db2.gz LHHLFFXLOZEHLK-UHFFFAOYSA-N 0 3 294.354 3.077 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccccc1 ZINC000054272389 620180804 /nfs/dbraw/zinc/18/08/04/620180804.db2.gz OPJIDAVXYOLJQG-IBGZPJMESA-N 0 3 297.398 3.417 20 30 CGEDHN C=CCC[C@@H](O)C[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801599462 620564059 /nfs/dbraw/zinc/56/40/59/620564059.db2.gz OWNSSUNWRVJBHV-MRXNPFEDSA-N 0 3 277.408 3.321 20 30 CGEDHN C=CCC[C@@H](O)C[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801599462 620564063 /nfs/dbraw/zinc/56/40/63/620564063.db2.gz OWNSSUNWRVJBHV-MRXNPFEDSA-N 0 3 277.408 3.321 20 30 CGEDHN CC(C)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cnn(C)c1 ZINC000927070548 620570416 /nfs/dbraw/zinc/57/04/16/620570416.db2.gz OXAPEBUQZIRTGE-SUMWQHHRSA-N 0 3 282.391 3.340 20 30 CGEDHN Cc1ccc(OCCCN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902784699 621430016 /nfs/dbraw/zinc/43/00/16/621430016.db2.gz XPJVMVMHCSIYJU-HNNXBMFYSA-N 0 3 295.386 3.381 20 30 CGEDHN Cc1ccccc1O[C@H](C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902822350 621457526 /nfs/dbraw/zinc/45/75/26/621457526.db2.gz VXYYGRLLTPNTOA-HUUCEWRRSA-N 0 3 295.386 3.380 20 30 CGEDHN C[C@H](N[C@H]1CCOC12CCCCC2)c1cc(C#N)ccn1 ZINC000903268147 621654725 /nfs/dbraw/zinc/65/47/25/621654725.db2.gz LBAMPSWHCJVTIE-BBRMVZONSA-N 0 3 285.391 3.096 20 30 CGEDHN Cc1ccc2c(c1)CCN(CCOc1ccc(C#N)cc1)C2 ZINC000484015966 621768775 /nfs/dbraw/zinc/76/87/75/621768775.db2.gz LXCWWZYSWNEOOK-UHFFFAOYSA-N 0 3 292.382 3.304 20 30 CGEDHN Cc1cc(Cl)cc(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905085058 622033930 /nfs/dbraw/zinc/03/39/30/622033930.db2.gz LTLGKGPHTMTSID-MBGMWABPSA-N 0 3 287.750 3.389 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCc2cccc3cccc1c32 ZINC000905843584 622119847 /nfs/dbraw/zinc/11/98/47/622119847.db2.gz ISSDAAOATRQHLC-DYVFJYSZSA-N 0 3 294.398 3.107 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(Cl)c1C ZINC000911918307 622563991 /nfs/dbraw/zinc/56/39/91/622563991.db2.gz XBGPVHXIIXUVLS-LBPRGKRZSA-N 0 3 266.772 3.271 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000912195818 622617665 /nfs/dbraw/zinc/61/76/65/622617665.db2.gz QSZAFPNGNZBZSJ-NHYWBVRUSA-N 0 3 296.361 3.168 20 30 CGEDHN C#CCCCNCc1c(C)nn(-c2ccccc2)c1Cl ZINC000174610549 623412544 /nfs/dbraw/zinc/41/25/44/623412544.db2.gz HQLHEUIVIBWDLO-UHFFFAOYSA-N 0 3 287.794 3.337 20 30 CGEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cncc(C#N)c1 ZINC000929676284 623503576 /nfs/dbraw/zinc/50/35/76/623503576.db2.gz MZPBESAZWPUPRP-GUYCJALGSA-N 0 3 295.361 3.470 20 30 CGEDHN C=CCN1CCC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000993007957 623783934 /nfs/dbraw/zinc/78/39/34/623783934.db2.gz ZVCDUQDHCIFPTE-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993290993 623999473 /nfs/dbraw/zinc/99/94/73/623999473.db2.gz BYUZBCHWKOSDAS-RDJZCZTQSA-N 0 3 290.451 3.422 20 30 CGEDHN C=CCN(Cc1cc2c(c(Cl)c1)OCO2)C(C)C ZINC000917069460 624233339 /nfs/dbraw/zinc/23/33/39/624233339.db2.gz OUMBWSGJBHQQKG-UHFFFAOYSA-N 0 3 267.756 3.465 20 30 CGEDHN C#CCN(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000917417519 624268920 /nfs/dbraw/zinc/26/89/20/624268920.db2.gz JVQULWRRLRIDDH-UHFFFAOYSA-N 0 3 285.309 3.310 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2CCC2)cc1 ZINC000175108052 624613939 /nfs/dbraw/zinc/61/39/39/624613939.db2.gz ZBNYJUSPRVZUFJ-MRXNPFEDSA-N 0 3 298.386 3.477 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2csc(C)c2)C1 ZINC000999554959 625831432 /nfs/dbraw/zinc/83/14/32/625831432.db2.gz VPTQRCAXBMKTEQ-UHFFFAOYSA-N 0 3 298.839 3.002 20 30 CGEDHN C=CCCCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000922006130 625959341 /nfs/dbraw/zinc/95/93/41/625959341.db2.gz CDFOBTVBVBFDIA-UHFFFAOYSA-N 0 3 253.777 3.386 20 30 CGEDHN C[C@@]1(CNCc2csc(C#N)c2)CC1(Cl)Cl ZINC000922157664 625974294 /nfs/dbraw/zinc/97/42/94/625974294.db2.gz BFJFWSMADURXIT-JTQLQIEISA-N 0 3 275.204 3.293 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)nc1 ZINC000753537557 626454365 /nfs/dbraw/zinc/45/43/65/626454365.db2.gz RHWCFASBXXKDDE-AWEZNQCLSA-N 0 3 287.322 3.428 20 30 CGEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc2ccccc2n1 ZINC000755872712 626655190 /nfs/dbraw/zinc/65/51/90/626655190.db2.gz SDJDMHMJPAKHHH-LBPRGKRZSA-N 0 3 280.375 3.117 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCCCO1)c1ccc2ccccc2n1 ZINC000756225468 626685308 /nfs/dbraw/zinc/68/53/08/626685308.db2.gz KPERZBIDNSGGJX-LSDHHAIUSA-N 0 3 294.354 3.370 20 30 CGEDHN CCCCCCCCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000756896550 626739770 /nfs/dbraw/zinc/73/97/70/626739770.db2.gz LCBDEOIFBFHCBG-HZPDHXFCSA-N 0 3 269.429 3.227 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000839556124 626759975 /nfs/dbraw/zinc/75/99/75/626759975.db2.gz KGPMTUJJLWAYLB-JTNHKYCSSA-N 0 3 251.757 3.282 20 30 CGEDHN C=C(Cl)CNC1(Cc2ccccc2)CCOCC1 ZINC000839617122 626766820 /nfs/dbraw/zinc/76/68/20/626766820.db2.gz HOPCFHGCUOBOIO-UHFFFAOYSA-N 0 3 265.784 3.120 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000809685674 626767815 /nfs/dbraw/zinc/76/78/15/626767815.db2.gz JXTQUXKWPPYTJT-OAHLLOKOSA-N 0 3 273.376 3.152 20 30 CGEDHN C[C@H]1CC(N=Nc2cccc3ccccc32)CN1C ZINC000761812329 627062592 /nfs/dbraw/zinc/06/25/92/627062592.db2.gz NOVAVYWMDZZUCY-LBPRGKRZSA-N 0 3 253.349 3.332 20 30 CGEDHN N#Cc1ccc(-c2ccn(CN3CC[C@H](C4CC4)C3)n2)cc1 ZINC000763332479 627151974 /nfs/dbraw/zinc/15/19/74/627151974.db2.gz NXDJHSJWFJAHAG-KRWDZBQOSA-N 0 3 292.386 3.111 20 30 CGEDHN C#CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC000763383707 627154998 /nfs/dbraw/zinc/15/49/98/627154998.db2.gz NIGQVDHVOFHRCD-UHFFFAOYSA-N 0 3 287.403 3.296 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2cccc(F)c2)cc1 ZINC000768160853 627464181 /nfs/dbraw/zinc/46/41/81/627464181.db2.gz TURBAMUZAOHAJT-UHFFFAOYSA-N 0 3 283.346 3.470 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC2 ZINC000768263004 627471774 /nfs/dbraw/zinc/47/17/74/627471774.db2.gz NQIUASGRFJXPIN-UHFFFAOYSA-N 0 3 278.355 3.220 20 30 CGEDHN CN(CCc1ccccc1F)Cc1ccc(C#N)s1 ZINC000769022851 627517887 /nfs/dbraw/zinc/51/78/87/627517887.db2.gz VZJWPOJQLNWJBO-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN C#CCN(Cc1c(CC)nn(C)c1CC)C1CCCCC1 ZINC000769145092 627525051 /nfs/dbraw/zinc/52/50/51/627525051.db2.gz BBCJHEHOHYNPTQ-UHFFFAOYSA-N 0 3 287.451 3.313 20 30 CGEDHN C#CCN(Cc1cc(C#N)cs1)C1CCCCC1 ZINC000769146413 627526058 /nfs/dbraw/zinc/52/60/58/627526058.db2.gz XAKRTOMLLYFVHI-UHFFFAOYSA-N 0 3 258.390 3.388 20 30 CGEDHN C#CCCCN1CC(c2nc3ccccc3s2)C1 ZINC000773543587 627896549 /nfs/dbraw/zinc/89/65/49/627896549.db2.gz TVCVFVFQPQJFIV-UHFFFAOYSA-N 0 3 256.374 3.109 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(OC2CCCC2)c1 ZINC000775183025 628069804 /nfs/dbraw/zinc/06/98/04/628069804.db2.gz GHEHDSSTPAVCBP-AWEZNQCLSA-N 0 3 257.377 3.462 20 30 CGEDHN CC(=O)Oc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000775339652 628083899 /nfs/dbraw/zinc/08/38/99/628083899.db2.gz YEPKOXOGJPMESV-ZDUSSCGKSA-N 0 3 294.354 3.334 20 30 CGEDHN N#CCC[C@H](NC[C@@H](O)c1ccccc1)c1ccccc1 ZINC000775552143 628105905 /nfs/dbraw/zinc/10/59/05/628105905.db2.gz FRRXTGBQHJQENT-ZWKOTPCHSA-N 0 3 280.371 3.355 20 30 CGEDHN C#C[C@H](N[C@@H](CCC)c1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000775571310 628107902 /nfs/dbraw/zinc/10/79/02/628107902.db2.gz FCNHIZQXSBXBTL-BZSNNMDCSA-N 0 3 287.403 3.307 20 30 CGEDHN C#C[C@H](NC1CC(c2ccc(Cl)cc2)C1)[C@H]1CCCO1 ZINC000775571123 628108111 /nfs/dbraw/zinc/10/81/11/628108111.db2.gz ANKYWCOBAXBXSB-MHVXSEJMSA-N 0 3 289.806 3.356 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@H](C)CC=C ZINC000778169576 628330544 /nfs/dbraw/zinc/33/05/44/628330544.db2.gz ZKNZZNKJRHOWNP-GFCCVEGCSA-N 0 3 263.768 3.406 20 30 CGEDHN CC1(C)C[C@H](NN=C2CCCNc3ccccc32)CCO1 ZINC000780240957 628468198 /nfs/dbraw/zinc/46/81/98/628468198.db2.gz IZAOJZNTKVBXQI-CYBMUJFWSA-N 0 3 287.407 3.144 20 30 CGEDHN C#CCCCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000780676894 628508881 /nfs/dbraw/zinc/50/88/81/628508881.db2.gz AAQZAWNUYIGEPY-MJGOQNOKSA-N 0 3 298.430 3.132 20 30 CGEDHN N#CCOc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000782531117 628652619 /nfs/dbraw/zinc/65/26/19/628652619.db2.gz OJVYSYCTJHNULB-GOSISDBHSA-N 0 3 293.370 3.225 20 30 CGEDHN C=C(C)CNCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000783756495 628745438 /nfs/dbraw/zinc/74/54/38/628745438.db2.gz ZFMLAVQXEOHKHK-UHFFFAOYSA-N 0 3 277.368 3.094 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2ccn(CC)c2)cc1 ZINC000792182928 629345905 /nfs/dbraw/zinc/34/59/05/629345905.db2.gz HGZXBQNVLGVAGN-UHFFFAOYSA-N 0 3 282.387 3.152 20 30 CGEDHN C#CCN(CC#Cc1ccccc1)C1CCCCC1 ZINC000792211044 629349918 /nfs/dbraw/zinc/34/99/18/629349918.db2.gz WDULCZXDWJREJA-UHFFFAOYSA-N 0 3 251.373 3.306 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(OCC)c(OC)cc2F)C1 ZINC000862447992 629381551 /nfs/dbraw/zinc/38/15/51/629381551.db2.gz UNYXAYUQEXGESV-CYBMUJFWSA-N 0 3 291.366 3.078 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC000793446011 629467439 /nfs/dbraw/zinc/46/74/39/629467439.db2.gz RVBVRBVEWRGTBD-MRXNPFEDSA-N 0 3 296.430 3.062 20 30 CGEDHN CC[C@@H]1Cc2c(cccc2-c2ccc([O-])cc2C#N)C[NH2+]1 ZINC000863723285 629661326 /nfs/dbraw/zinc/66/13/26/629661326.db2.gz WDGGLLOUIXLGPM-CQSZACIVSA-N 0 3 278.355 3.355 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CC[C@@H]1C ZINC000796527472 629795154 /nfs/dbraw/zinc/79/51/54/629795154.db2.gz ZLHWMTDWHIRZNQ-SMDDNHRTSA-N 0 3 263.768 3.240 20 30 CGEDHN N#CCC1(CNCc2ccccc2N2CCCCC2)CC1 ZINC000797468478 629950243 /nfs/dbraw/zinc/95/02/43/629950243.db2.gz IXLVZZGHDWKCLF-UHFFFAOYSA-N 0 3 283.419 3.460 20 30 CGEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000797549059 629957775 /nfs/dbraw/zinc/95/77/75/629957775.db2.gz UJGIVUCHGYVBHF-CQSZACIVSA-N 0 3 296.326 3.112 20 30 CGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(C#N)[nH]2)s1 ZINC000797567468 629961370 /nfs/dbraw/zinc/96/13/70/629961370.db2.gz IQNORIVRIXGQCU-JTQLQIEISA-N 0 3 298.371 3.130 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)c1ccccn1 ZINC000797943894 630004971 /nfs/dbraw/zinc/00/49/71/630004971.db2.gz XKJRLEFJPYACQS-WDEREUQCSA-N 0 3 264.275 3.083 20 30 CGEDHN N#Cc1csc(CN2CC[C@H](c3ccccn3)C2)c1 ZINC000798963058 630129044 /nfs/dbraw/zinc/12/90/44/630129044.db2.gz WGNYHGURKQRIIE-ZDUSSCGKSA-N 0 3 269.373 3.004 20 30 CGEDHN CC(C)(C)c1csc(CNCCCCC#N)n1 ZINC000865448453 630129440 /nfs/dbraw/zinc/12/94/40/630129440.db2.gz HAGMQOBOAWJMBQ-UHFFFAOYSA-N 0 3 251.399 3.224 20 30 CGEDHN C[C@H](C#N)OCCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000801912499 630364643 /nfs/dbraw/zinc/36/46/43/630364643.db2.gz UDQVKWCWQXXGAJ-SNVBAGLBSA-N 0 3 287.190 3.354 20 30 CGEDHN C[C@H](C#N)OCCN1CCCCC[C@H]1c1ccco1 ZINC000801922135 630366433 /nfs/dbraw/zinc/36/64/33/630366433.db2.gz GFBYUJANBSBWJQ-KGLIPLIRSA-N 0 3 262.353 3.125 20 30 CGEDHN C[C@H](C#N)OCCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000801937852 630370579 /nfs/dbraw/zinc/37/05/79/630370579.db2.gz AOXFALIYHZTJOO-AMMZPXFLSA-N 0 3 270.376 3.093 20 30 CGEDHN C[C@@H](NCCO[C@@H](C)C#N)c1cc2ccccc2o1 ZINC000801946421 630372624 /nfs/dbraw/zinc/37/26/24/630372624.db2.gz IHCKYAYBCIROCK-NWDGAFQWSA-N 0 3 258.321 3.012 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1ccc2ccccc2n1 ZINC000802034247 630374901 /nfs/dbraw/zinc/37/49/01/630374901.db2.gz GDPKMSHAMKXSCH-SDDRHHMPSA-N 0 3 286.281 3.312 20 30 CGEDHN C#CCCCCCC(=O)N(CCC)CCN1CCCCC1 ZINC000804567165 630537098 /nfs/dbraw/zinc/53/70/98/630537098.db2.gz LVWDHTYZDITXLX-UHFFFAOYSA-N 0 3 292.467 3.295 20 30 CGEDHN CCCC[C@H](C)N(CCCC)Cn1cccc(C#N)c1=O ZINC000840092960 630589761 /nfs/dbraw/zinc/58/97/61/630589761.db2.gz ZZPYLVQEZIDICE-HNNXBMFYSA-N 0 3 289.423 3.358 20 30 CGEDHN C#C[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])[C@H]1CCCO1 ZINC000808713192 630668871 /nfs/dbraw/zinc/66/88/71/630668871.db2.gz FXLGATTXLIIWSD-BYCMXARLSA-N 0 3 293.794 3.185 20 30 CGEDHN C#Cc1ccc(CN[C@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000809624858 630765378 /nfs/dbraw/zinc/76/53/78/630765378.db2.gz RRJSQMHVKWTVHP-QGZVFWFLSA-N 0 3 281.403 3.259 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(OC)c(OCCCCC)c1 ZINC000809683444 630778635 /nfs/dbraw/zinc/77/86/35/630778635.db2.gz DKNCPWKRPOJESK-CQSZACIVSA-N 0 3 275.392 3.376 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(OC)c(OCCC(C)C)c1 ZINC000809683396 630779965 /nfs/dbraw/zinc/77/99/65/630779965.db2.gz BTIYFXKMHOXDGF-CQSZACIVSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@H](C)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000809683467 630780028 /nfs/dbraw/zinc/78/00/28/630780028.db2.gz CHIASZKBOQIBGP-HNNXBMFYSA-N 0 3 295.382 3.386 20 30 CGEDHN C#C[C@@H](C)NCc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000809683885 630780044 /nfs/dbraw/zinc/78/00/44/630780044.db2.gz IYWAWYRXKJUHFT-MRXNPFEDSA-N 0 3 294.398 3.389 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000809686323 630782927 /nfs/dbraw/zinc/78/29/27/630782927.db2.gz KPOPCEDMZDSQQA-JTQLQIEISA-N 0 3 273.710 3.443 20 30 CGEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000809686511 630783384 /nfs/dbraw/zinc/78/33/84/630783384.db2.gz WYBZQNNSQQKXAT-CQSZACIVSA-N 0 3 273.767 3.232 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000809686505 630783524 /nfs/dbraw/zinc/78/35/24/630783524.db2.gz WWSSEBIIJDINSM-HNNXBMFYSA-N 0 3 257.377 3.292 20 30 CGEDHN C#C[C@@H](NCc1nccc2ccccc21)C(C)(C)C ZINC000809781590 630806378 /nfs/dbraw/zinc/80/63/78/630806378.db2.gz WWCMJFGXIWKCIV-MRXNPFEDSA-N 0 3 252.361 3.372 20 30 CGEDHN C=CCN(CCOC)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878503179 635534132 /nfs/dbraw/zinc/53/41/32/635534132.db2.gz OSYMAXLJMSUXHF-IRXDYDNUSA-N 0 3 275.392 3.041 20 30 CGEDHN Fc1ccc(CCN2CCC(=NOC3CCC3)CC2)cc1 ZINC000812235217 631226239 /nfs/dbraw/zinc/22/62/39/631226239.db2.gz AXQPEWYBCCTPNH-UHFFFAOYSA-N 0 3 290.382 3.389 20 30 CGEDHN C#C[C@@H](N[C@H](C)CC1CCOCC1)c1ccc(F)cc1 ZINC000812793427 631312507 /nfs/dbraw/zinc/31/25/07/631312507.db2.gz TVLWTYNSCZJZEF-CXAGYDPISA-N 0 3 275.367 3.295 20 30 CGEDHN C#C[C@H](N[C@H](C)CC1(OC)CCC1)c1ccc(F)cc1 ZINC000812794729 631313581 /nfs/dbraw/zinc/31/35/81/631313581.db2.gz DCDOARIPIWGULU-CJNGLKHVSA-N 0 3 275.367 3.437 20 30 CGEDHN C#CCN(CC#C)CCCCCn1c(C)nc2ccccc21 ZINC000812828091 631321074 /nfs/dbraw/zinc/32/10/74/631321074.db2.gz CLDBANTVAQSWHJ-UHFFFAOYSA-N 0 3 293.414 3.083 20 30 CGEDHN CCCCCCCCN1CCOC[C@@H]1CCOC ZINC000812886958 631328917 /nfs/dbraw/zinc/32/89/17/631328917.db2.gz PQCJOGJQKNECPL-HNNXBMFYSA-N 0 3 257.418 3.084 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900985 631330641 /nfs/dbraw/zinc/33/06/41/631330641.db2.gz YXCWNGRYMVUBAI-LSDHHAIUSA-N 0 3 299.418 3.059 20 30 CGEDHN CCN(Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)OC ZINC000812908163 631331037 /nfs/dbraw/zinc/33/10/37/631331037.db2.gz BVJKLGPIUSBVDH-GFCCVEGCSA-N 0 3 296.798 3.099 20 30 CGEDHN C#C[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(F)cc1 ZINC000816617177 632024175 /nfs/dbraw/zinc/02/41/75/632024175.db2.gz QEOGWMKHYCAEDH-ACJLOTCBSA-N 0 3 283.346 3.426 20 30 CGEDHN Cc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc(C)n1 ZINC000817409706 632140775 /nfs/dbraw/zinc/14/07/75/632140775.db2.gz FBBFVKCXQHQRNS-HNNXBMFYSA-N 0 3 295.386 3.279 20 30 CGEDHN C#CCCCN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817579075 632188169 /nfs/dbraw/zinc/18/81/69/632188169.db2.gz TXTNIHCLJDGYHL-LLVKDONJSA-N 0 3 299.237 3.360 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC23CC3)c([O-])c1 ZINC000818991519 632360403 /nfs/dbraw/zinc/36/04/03/632360403.db2.gz GJUIIXBPOSQFMH-QJISPJEISA-N 0 3 258.365 3.210 20 30 CGEDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1[O-] ZINC000822497457 632947547 /nfs/dbraw/zinc/94/75/47/632947547.db2.gz DUDCWFKKYGGGSY-GXFFZTMASA-N 0 3 264.756 3.136 20 30 CGEDHN COc1ccccc1[C@@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000866595794 633205816 /nfs/dbraw/zinc/20/58/16/633205816.db2.gz NHEPNKSHXNHUPJ-MCIONIFRSA-N 0 3 258.365 3.428 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)ccc1Cl ZINC000876575865 634861398 /nfs/dbraw/zinc/86/13/98/634861398.db2.gz XCWLNMICBHPDST-JTQLQIEISA-N 0 3 273.163 3.057 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000876591957 634864378 /nfs/dbraw/zinc/86/43/78/634864378.db2.gz DBFBVLISOLROSK-UONOGXRCSA-N 0 3 294.826 3.360 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1C ZINC000876607377 634866425 /nfs/dbraw/zinc/86/64/25/634866425.db2.gz URYYHLWNIVZAQX-ZDUSSCGKSA-N 0 3 296.798 3.191 20 30 CGEDHN C=CCC[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000825168428 633334146 /nfs/dbraw/zinc/33/41/46/633334146.db2.gz JPIVOCZNFIXKCU-GOSISDBHSA-N 0 3 297.398 3.476 20 30 CGEDHN CC[C@H](NCC(C)(C)CC#N)C(=O)Nc1ccc(C)cc1 ZINC000871886496 633912060 /nfs/dbraw/zinc/91/20/60/633912060.db2.gz MVGMVFKSXRAMAR-HNNXBMFYSA-N 0 3 287.407 3.242 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2ccccc2c(Cl)n1 ZINC000831682766 633992005 /nfs/dbraw/zinc/99/20/05/633992005.db2.gz BGZWDNNHUAVFDZ-CABCVRRESA-N 0 3 288.778 3.321 20 30 CGEDHN C=C(C)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074446 633997151 /nfs/dbraw/zinc/99/71/51/633997151.db2.gz DWTFTSIXCHRAFV-JTQLQIEISA-N 0 3 252.289 3.351 20 30 CGEDHN C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc([O-])c1F ZINC000872075156 633998235 /nfs/dbraw/zinc/99/82/35/633998235.db2.gz OYOTXEPJAZABFN-SRVKXCTJSA-N 0 3 262.328 3.264 20 30 CGEDHN C#CCCCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000834606024 634196780 /nfs/dbraw/zinc/19/67/80/634196780.db2.gz CHVZNNJVPLNUOI-AWEZNQCLSA-N 0 3 267.376 3.151 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(F)cccc1OCC ZINC000873120469 634250679 /nfs/dbraw/zinc/25/06/79/634250679.db2.gz RWIYLMNEEHTAMA-DYVFJYSZSA-N 0 3 293.382 3.295 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834894180 634270866 /nfs/dbraw/zinc/27/08/66/634270866.db2.gz RFJHSVBIGYMTND-OPQSFPLASA-N 0 3 291.366 3.403 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C2=CCC(C)(C)CC2)nc(C)n1 ZINC000835058658 634340282 /nfs/dbraw/zinc/34/02/82/634340282.db2.gz AAJDXFHAMXSSRD-CQSZACIVSA-N 0 3 283.375 3.406 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000876548129 634854812 /nfs/dbraw/zinc/85/48/12/634854812.db2.gz UWLKNEATIBFYPK-CYBMUJFWSA-N 0 3 266.772 3.218 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H](N)CC(=C)Cl ZINC000876659934 634877107 /nfs/dbraw/zinc/87/71/07/634877107.db2.gz JTJYHDCMSCBKAU-AWEZNQCLSA-N 0 3 284.831 3.051 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1CCC(C)C ZINC000876705616 634884254 /nfs/dbraw/zinc/88/42/54/634884254.db2.gz RRRSYNZPENFOPS-KGLIPLIRSA-N 0 3 286.847 3.274 20 30 CGEDHN CCSCC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877064456 634968534 /nfs/dbraw/zinc/96/85/34/634968534.db2.gz SSYKGDLFDBOYDZ-JTQLQIEISA-N 0 3 283.828 3.228 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cc(OC)cnc1F ZINC000877137192 634998927 /nfs/dbraw/zinc/99/89/27/634998927.db2.gz RTELSNGPZMFOGJ-LLVKDONJSA-N 0 3 252.333 3.064 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCC2(F)F)c1 ZINC000877565635 635094098 /nfs/dbraw/zinc/09/40/98/635094098.db2.gz LLMCTNCVNUAFHO-LLVKDONJSA-N 0 3 285.725 3.132 20 30 CGEDHN CCCCN(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877900043 635258028 /nfs/dbraw/zinc/25/80/28/635258028.db2.gz BHBQVYGOMWDZQY-KRWDZBQOSA-N 0 3 272.392 3.159 20 30 CGEDHN C=CC[C@@H](C)N(C)Cc1ccc(Br)o1 ZINC000877918610 635269137 /nfs/dbraw/zinc/26/91/37/635269137.db2.gz UDIBSVQXEYICCB-SECBINFHSA-N 0 3 258.159 3.439 20 30 CGEDHN N#CC(C(=O)C1CC2(CCC2)C1)c1nc2ccccc2[nH]1 ZINC000842676624 635438017 /nfs/dbraw/zinc/43/80/17/635438017.db2.gz DIVJBSLZELKKGU-LBPRGKRZSA-N 0 3 279.343 3.319 20 30 CGEDHN CN(C)c1ccc(CNCc2ccc(CC#N)cc2)cc1F ZINC000842720425 635449327 /nfs/dbraw/zinc/44/93/27/635449327.db2.gz WBHGHSVVKNTSHZ-UHFFFAOYSA-N 0 3 297.377 3.248 20 30 CGEDHN CC(C)[C@@H](C#N)N1CCN(C[C@H](C)CC(C)(C)C)CC1 ZINC000878310627 635454735 /nfs/dbraw/zinc/45/47/35/635454735.db2.gz MYFKWKHOHQPNCO-HZPDHXFCSA-N 0 3 279.472 3.224 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879239555 635731822 /nfs/dbraw/zinc/73/18/22/635731822.db2.gz CWCCSHDMFIAYTJ-RBUKOAKNSA-N 0 3 292.382 3.256 20 30 CGEDHN COc1cc(C#N)ccc1CNC(C)(C)[C@H]1CCCCO1 ZINC000879406414 635779913 /nfs/dbraw/zinc/77/99/13/635779913.db2.gz NSDIVBGULORPPB-MRXNPFEDSA-N 0 3 288.391 3.004 20 30 CGEDHN C=C(Br)CNC[C@@H](C)c1ccc(F)cc1 ZINC000127877940 635817787 /nfs/dbraw/zinc/81/77/87/635817787.db2.gz FLRYNQDHQJMXAB-SECBINFHSA-N 0 3 272.161 3.427 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373511 635883926 /nfs/dbraw/zinc/88/39/26/635883926.db2.gz JCXJANQJJBKPKS-CJNGLKHVSA-N 0 3 292.810 3.316 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844435419 635900292 /nfs/dbraw/zinc/90/02/92/635900292.db2.gz DCGJKTYABJQRLK-OAHLLOKOSA-N 0 3 292.329 3.210 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccccc2OC(C)C)C1 ZINC000847024730 636315833 /nfs/dbraw/zinc/31/58/33/636315833.db2.gz SAMLXUSXBJQSTJ-HNNXBMFYSA-N 0 3 257.377 3.319 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)N[C@H](C)c1nncn1C ZINC000883185169 636570589 /nfs/dbraw/zinc/57/05/89/636570589.db2.gz PWKZKDOFUYZGSH-GDBMZVCRSA-N 0 3 284.407 3.043 20 30 CGEDHN C=CCC[C@@H](NCc1nc2cc(C)ccc2[nH]1)[C@H]1CCCO1 ZINC000883194375 636578308 /nfs/dbraw/zinc/57/83/08/636578308.db2.gz UQJCYRQELRDSTJ-NVXWUHKLSA-N 0 3 299.418 3.475 20 30 CGEDHN C=CCC[C@@H](NCc1nc2ccc(C)cc2[nH]1)[C@H]1CCCO1 ZINC000883194375 636578316 /nfs/dbraw/zinc/57/83/16/636578316.db2.gz UQJCYRQELRDSTJ-NVXWUHKLSA-N 0 3 299.418 3.475 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)NCc1cocn1 ZINC000883211722 636588408 /nfs/dbraw/zinc/58/84/08/636588408.db2.gz ULLXPVQQKZXHFT-HNNXBMFYSA-N 0 3 256.349 3.342 20 30 CGEDHN C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(C#N)c1 ZINC000849323330 636810387 /nfs/dbraw/zinc/81/03/87/636810387.db2.gz LMZUNPGJOWSNJU-GLQYFDAESA-N 0 3 292.329 3.023 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000886366197 637515725 /nfs/dbraw/zinc/51/57/25/637515725.db2.gz ZFCPHJBCYFMGGA-LBPRGKRZSA-N 0 3 295.304 3.277 20 30 CGEDHN C#CCN(C(=O)[C@H](C)CCCCCC)C1CCN(C)CC1 ZINC000886581095 637589954 /nfs/dbraw/zinc/58/99/54/637589954.db2.gz JMZWRLSOYYGQRR-MRXNPFEDSA-N 0 3 292.467 3.149 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cc(F)cc2cccnc21 ZINC000852099401 637592871 /nfs/dbraw/zinc/59/28/71/637592871.db2.gz LKLLEVBWBUGTHW-INIZCTEOSA-N 0 3 256.324 3.265 20 30 CGEDHN C=CC[C@@H]1CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000852410920 637649967 /nfs/dbraw/zinc/64/99/67/637649967.db2.gz QGXYRAPRWHWCQM-MLGOLLRUSA-N 0 3 281.346 3.286 20 30 CGEDHN C=CCC1(O)CCN([C@@H](C)c2ccccc2F)CC1 ZINC000886762179 637679479 /nfs/dbraw/zinc/67/94/79/637679479.db2.gz SNCKQLTXEWTNQJ-ZDUSSCGKSA-N 0 3 263.356 3.290 20 30 CGEDHN C=CCC1(O)CCN(CCCc2c(F)cccc2F)CC1 ZINC000886778565 637685955 /nfs/dbraw/zinc/68/59/55/637685955.db2.gz HMWGWNURTGKUNV-UHFFFAOYSA-N 0 3 295.373 3.300 20 30 CGEDHN C[C@@H](NCc1ccnc(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000852780203 637710980 /nfs/dbraw/zinc/71/09/80/637710980.db2.gz IZJPCWUGCCOJGO-CYBMUJFWSA-N 0 3 293.370 3.129 20 30 CGEDHN CCN1CC[C@@H]1C/N=C/c1c(O)ccc2ccccc21 ZINC000887270166 637786489 /nfs/dbraw/zinc/78/64/89/637786489.db2.gz IUQPVTRBONQRNG-CRRKTRLDSA-N 0 3 268.360 3.059 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2C[C@@H](COC)C2)c([O-])c1 ZINC000887269977 637786587 /nfs/dbraw/zinc/78/65/87/637786587.db2.gz FFJONNYOPXNPAZ-DCFHOZIDSA-N 0 3 290.407 3.082 20 30 CGEDHN C[C@H](CN1CCC(C)CC1)Nc1nc(Cl)c(C#N)s1 ZINC000853867107 637945267 /nfs/dbraw/zinc/94/52/67/637945267.db2.gz FHBLYNQDRZVHQD-SNVBAGLBSA-N 0 3 298.843 3.200 20 30 CGEDHN C=CCCCCCCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000854066910 637982805 /nfs/dbraw/zinc/98/28/05/637982805.db2.gz JYYTXHFDKBBJJG-MRXNPFEDSA-N 0 3 295.471 3.249 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(Br)n1 ZINC000925255877 638486985 /nfs/dbraw/zinc/48/69/85/638486985.db2.gz HFTBDBRWEJYGFG-BDAKNGLRSA-N 0 3 255.159 3.069 20 30 CGEDHN C=CCCN[C@@H](C)c1nc(Br)ccc1F ZINC000926682750 638798157 /nfs/dbraw/zinc/79/81/57/638798157.db2.gz FFSQCGUDSFHAOY-QMMMGPOBSA-N 0 3 273.149 3.210 20 30 CGEDHN C=CCCC1(CN[C@@H]2C[C@H](C)n3ncnc32)CCCC1 ZINC000926682259 638798243 /nfs/dbraw/zinc/79/82/43/638798243.db2.gz DTHCEJSPTIHSQH-UONOGXRCSA-N 0 3 274.412 3.400 20 30 CGEDHN C#C[C@H]1CC[C@H](N[C@@H]2CCCc3oc(C)nc32)CC1 ZINC000926838690 638816532 /nfs/dbraw/zinc/81/65/32/638816532.db2.gz GCPLSNXUSUIRCM-MGPQQGTHSA-N 0 3 258.365 3.142 20 30 CGEDHN CC[C@@H](NCCNc1ccc(C#N)cn1)c1ccccc1F ZINC000927164845 638849431 /nfs/dbraw/zinc/84/94/31/638849431.db2.gz PMJMIRQFUQPBOI-MRXNPFEDSA-N 0 3 298.365 3.245 20 30 CGEDHN C[C@@H](NC1([C@H]2CCCCO2)CC1)c1ccc(C#N)c(F)c1 ZINC000927165129 638849550 /nfs/dbraw/zinc/84/95/50/638849550.db2.gz ZSFZUPCEKBIUGT-MLGOLLRUSA-N 0 3 288.366 3.450 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@H](C2CC2)O1 ZINC000930271284 638987440 /nfs/dbraw/zinc/98/74/40/638987440.db2.gz VUAQITBRFJCKSR-GDBMZVCRSA-N 0 3 276.424 3.350 20 30 CGEDHN N#CCCC[C@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000930569049 639027980 /nfs/dbraw/zinc/02/79/80/639027980.db2.gz LODVERDZXQBVQF-SFHVURJKSA-N 0 3 290.370 3.478 20 30 CGEDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1cncc(C#N)c1 ZINC000930702354 639056560 /nfs/dbraw/zinc/05/65/60/639056560.db2.gz NVFMTNJAGPTAHQ-CYBMUJFWSA-N 0 3 283.350 3.155 20 30 CGEDHN CCN(Cc1cc(Cl)cc(C#N)c1)[C@H]1CCCOC1 ZINC000930851995 639076542 /nfs/dbraw/zinc/07/65/42/639076542.db2.gz FBZUATVYTVRCPJ-HNNXBMFYSA-N 0 3 278.783 3.213 20 30 CGEDHN C=CC[C@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000860899477 639458546 /nfs/dbraw/zinc/45/85/46/639458546.db2.gz YGXCMBCDWXQXHS-HNNXBMFYSA-N 0 3 287.403 3.406 20 30 CGEDHN COC1(CCN(C)Cc2cc(C#N)cs2)CCC1 ZINC000933771368 639489656 /nfs/dbraw/zinc/48/96/56/639489656.db2.gz FVKUCWLJXNBUNQ-UHFFFAOYSA-N 0 3 264.394 3.011 20 30 CGEDHN C=CCCCN(CC)CC(=O)Nc1ccccc1C ZINC000934649102 639651045 /nfs/dbraw/zinc/65/10/45/639651045.db2.gz JXYJLQCBQFXLIM-UHFFFAOYSA-N 0 3 260.381 3.222 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNC[C@H]2CCC=CO2)cc1 ZINC000194566285 640540379 /nfs/dbraw/zinc/54/03/79/640540379.db2.gz XKTOJSLLWYONAW-OAHLLOKOSA-N 0 3 295.304 3.339 20 30 CGEDHN N#CC(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1nc2ccccc2[nH]1 ZINC000246513859 640678967 /nfs/dbraw/zinc/67/89/67/640678967.db2.gz NYUJGXHCXOPWLN-ZAZJYDDPSA-N 0 3 279.343 3.175 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001007412832 640942225 /nfs/dbraw/zinc/94/22/25/640942225.db2.gz OTVWXSOTHSHGEV-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001014549374 640973675 /nfs/dbraw/zinc/97/36/75/640973675.db2.gz LGRGHYZIFFHCFO-LLVKDONJSA-N 0 3 298.839 3.090 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001017310503 641010457 /nfs/dbraw/zinc/01/04/57/641010457.db2.gz BGPVHCSYAVMGDZ-CALCHBBNSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001017655737 641014454 /nfs/dbraw/zinc/01/44/54/641014454.db2.gz IOLTZTYONXDZFH-BHYGNILZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001017828395 641017564 /nfs/dbraw/zinc/01/75/64/641017564.db2.gz VBXFYKVMOLSMTF-OWCLPIDISA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)CC(C)C ZINC001156667907 805724034 /nfs/dbraw/zinc/72/40/34/805724034.db2.gz JDQZQSXXHXRAQK-OAHLLOKOSA-N 0 3 268.445 3.025 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001157369801 805800892 /nfs/dbraw/zinc/80/08/92/805800892.db2.gz LLFLGPHIVWKWHK-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(c1ccc(CN2CCCC2)cn1)C(C)(C)C ZINC001157585899 805839681 /nfs/dbraw/zinc/83/96/81/805839681.db2.gz VCOTULZDHOANNH-UHFFFAOYSA-N 0 3 273.424 3.468 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cncs1 ZINC001252137019 806024041 /nfs/dbraw/zinc/02/40/41/806024041.db2.gz VMKSGASUZKJVNH-CYBMUJFWSA-N 0 3 270.442 3.344 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC2CCCCC2)CC1 ZINC001159160942 806054004 /nfs/dbraw/zinc/05/40/04/806054004.db2.gz AUKNPZGEWJBZNW-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C=C[C@](C)(O)CNC(C)(C)c1ccccc1Br ZINC001252575737 806073724 /nfs/dbraw/zinc/07/37/24/806073724.db2.gz FDHDMNHUOZHVGZ-AWEZNQCLSA-N 0 3 298.224 3.211 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](c1ccncc1)c1ccccc1C ZINC001252589040 806078398 /nfs/dbraw/zinc/07/83/98/806078398.db2.gz IWYODRZQHBVGCA-MJGOQNOKSA-N 0 3 296.414 3.396 20 30 CGEDHN C=CCC[C@H](O)CNCc1ccc(C(F)(F)F)cc1F ZINC001252616739 806091329 /nfs/dbraw/zinc/09/13/29/806091329.db2.gz SKMNEBBFEQCBNU-LBPRGKRZSA-N 0 3 291.288 3.261 20 30 CGEDHN C=CCC[C@H](O)CN[C@H]1CCOc2ccc(Cl)cc21 ZINC001252624303 806093782 /nfs/dbraw/zinc/09/37/82/806093782.db2.gz DDUHUMLXGHNQEY-JSGCOSHPSA-N 0 3 281.783 3.080 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc(F)c1Cl ZINC001252624566 806095415 /nfs/dbraw/zinc/09/54/15/806095415.db2.gz INWIVLCBSFEKIP-MNOVXSKESA-N 0 3 271.763 3.457 20 30 CGEDHN C=C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001252867620 806135616 /nfs/dbraw/zinc/13/56/16/806135616.db2.gz CHRXBWITONYESU-SJORKVTESA-N 0 3 271.335 3.376 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCC1(F)COC1 ZINC001252985994 806147291 /nfs/dbraw/zinc/14/72/91/806147291.db2.gz JTAVLABYIGXHLN-OAHLLOKOSA-N 0 3 289.435 3.206 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN(C)Cc1ccccn1 ZINC001253227780 806184470 /nfs/dbraw/zinc/18/44/70/806184470.db2.gz MZKWOAPUFPHXKS-QGZVFWFLSA-N 0 3 276.424 3.401 20 30 CGEDHN C=CCCCCCC[C@H](O)CNc1cnc(C)n1C ZINC001253234171 806189191 /nfs/dbraw/zinc/18/91/91/806189191.db2.gz VUTUGMVKXLEYHR-AWEZNQCLSA-N 0 3 265.401 3.028 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCC(=O)C(C)(C)C ZINC001253247266 806193711 /nfs/dbraw/zinc/19/37/11/806193711.db2.gz HSKQXDOLKDLBGK-CQSZACIVSA-N 0 3 269.429 3.079 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cncn1C(C)C ZINC001253254811 806197783 /nfs/dbraw/zinc/19/77/83/806197783.db2.gz SXVWFMAIIWOXCD-QGZVFWFLSA-N 0 3 293.455 3.441 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001161044552 806342515 /nfs/dbraw/zinc/34/25/15/806342515.db2.gz NCOYPEDOAYEKKE-NVXWUHKLSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001161126057 806352919 /nfs/dbraw/zinc/35/29/19/806352919.db2.gz NQLMQUJMCHWJBG-MAUKXSAKSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[C@H]1CCC ZINC001161419447 806375465 /nfs/dbraw/zinc/37/54/65/806375465.db2.gz LUJNJCRIRJRLKD-ZIAGYGMSSA-N 0 3 286.847 3.051 20 30 CGEDHN C#CCN([C@@H]1CCc2ccccc21)[C@H]1CC[C@@H](C#N)C1 ZINC001254668787 806479982 /nfs/dbraw/zinc/47/99/82/806479982.db2.gz LCONOOSMDLPPIT-UWWQBHOKSA-N 0 3 264.372 3.301 20 30 CGEDHN CC[C@H](CC#N)NCCCc1cncc(C(F)(F)F)c1 ZINC001255149568 806553287 /nfs/dbraw/zinc/55/32/87/806553287.db2.gz KOHNVDHTIKOIPM-CYBMUJFWSA-N 0 3 285.313 3.315 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1 ZINC001255160597 806559592 /nfs/dbraw/zinc/55/95/92/806559592.db2.gz MGTUEKCKXKVGEY-KKUMJFAQSA-N 0 3 293.455 3.132 20 30 CGEDHN CC[C@H](CC#N)NC1(Cc2cccc(OC)c2)CCC1 ZINC001255162154 806560773 /nfs/dbraw/zinc/56/07/73/806560773.db2.gz IYXOKCNELCITDZ-OAHLLOKOSA-N 0 3 272.392 3.442 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(COCC)CC1 ZINC000093394069 798964318 /nfs/dbraw/zinc/96/43/18/798964318.db2.gz BHKIWGLVNBLFPB-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN N#CC(C(=O)C=Cc1cccs1)c1ccccn1 ZINC000255320706 799170639 /nfs/dbraw/zinc/17/06/39/799170639.db2.gz VFUOAICPZLKSFJ-ZHRWSRJISA-N 0 3 254.314 3.033 20 30 CGEDHN C#C[C@@H](NCc1cc2cccc(OC)c2o1)C(C)C ZINC000381561336 799381437 /nfs/dbraw/zinc/38/14/37/799381437.db2.gz NSVHYPIKCRGAGW-CQSZACIVSA-N 0 3 257.333 3.189 20 30 CGEDHN C=C(Br)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000698933048 799858161 /nfs/dbraw/zinc/85/81/61/799858161.db2.gz SIPXHNVEKORLDF-GXFFZTMASA-N 0 3 266.182 3.213 20 30 CGEDHN C#C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)C(C)(C)C ZINC000705318110 799948963 /nfs/dbraw/zinc/94/89/63/799948963.db2.gz TWSOQJGXRBTZIP-AWEZNQCLSA-N 0 3 293.794 3.249 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](c3nccs3)C2)c1 ZINC000710358431 800033678 /nfs/dbraw/zinc/03/36/78/800033678.db2.gz FCEKTBXNILUJEI-CQSZACIVSA-N 0 3 269.373 3.004 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccc(SC)cc2)CC1 ZINC000717452675 800202355 /nfs/dbraw/zinc/20/23/55/800202355.db2.gz YLLLQQCPQLJKFY-UHFFFAOYSA-N 0 3 277.433 3.312 20 30 CGEDHN C=CC[C@H](C)NCc1nc(C)c(Br)s1 ZINC000719257052 800233778 /nfs/dbraw/zinc/23/37/78/800233778.db2.gz LZNQUWNVXGUKMO-ZETCQYMHSA-N 0 3 275.215 3.268 20 30 CGEDHN C=C1CCC(CNCc2c(Br)cnn2C)CC1 ZINC000724549591 800363618 /nfs/dbraw/zinc/36/36/18/800363618.db2.gz HCPQGIVVPLINNZ-UHFFFAOYSA-N 0 3 298.228 3.019 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000809541694 800443145 /nfs/dbraw/zinc/44/31/45/800443145.db2.gz NUJWOMLLULXIAA-UHFFFAOYSA-N 0 3 295.382 3.317 20 30 CGEDHN N#Cc1cccc(OCCN[C@H](c2ccccn2)C2CC2)c1 ZINC000932381996 800661276 /nfs/dbraw/zinc/66/12/76/800661276.db2.gz PGHWMFFUQNNLEQ-SFHVURJKSA-N 0 3 293.370 3.073 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cscc1C ZINC001024376786 800727036 /nfs/dbraw/zinc/72/70/36/800727036.db2.gz AOLUQXDXDPQQHM-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN N#CC1(CNC2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256303128 806857693 /nfs/dbraw/zinc/85/76/93/806857693.db2.gz IZUOBKJCGALELI-UHFFFAOYSA-N 0 3 289.810 3.202 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001028157364 800834386 /nfs/dbraw/zinc/83/43/86/800834386.db2.gz IUUAOTWCOLHIJU-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001028290503 800840439 /nfs/dbraw/zinc/84/04/39/800840439.db2.gz UAZCJIIYEWJPMC-MRXNPFEDSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCCN1CCC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001028302098 800840964 /nfs/dbraw/zinc/84/09/64/800840964.db2.gz XMVQVCQQOCJJAP-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](C)CC ZINC001032422757 800927404 /nfs/dbraw/zinc/92/74/04/800927404.db2.gz KPMNEJJCJSYASX-UBHSHLNASA-N 0 3 298.858 3.096 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC1(C)C ZINC001032573846 800929987 /nfs/dbraw/zinc/92/99/87/800929987.db2.gz UIKANKSEWKNGNX-JYJNAYRXSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(C)C ZINC001032565508 800930567 /nfs/dbraw/zinc/93/05/67/800930567.db2.gz MCPUBXWRKWRVRN-GJZGRUSLSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033101375 800952184 /nfs/dbraw/zinc/95/21/84/800952184.db2.gz FOJCHBVANFURAU-IRXDYDNUSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737554 800981257 /nfs/dbraw/zinc/98/12/57/800981257.db2.gz PXRSYVSIOSVDAN-QGZVFWFLSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001034214559 801010875 /nfs/dbraw/zinc/01/08/75/801010875.db2.gz NYRJZGJDULGAEQ-ARFHVFGLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001034541700 801032053 /nfs/dbraw/zinc/03/20/53/801032053.db2.gz AWOUYTPEGXNEPA-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001034541699 801032147 /nfs/dbraw/zinc/03/21/47/801032147.db2.gz AWOUYTPEGXNEPA-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001038290163 801123398 /nfs/dbraw/zinc/12/33/98/801123398.db2.gz XZZNXWILUBFPBG-MRXNPFEDSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@H]21 ZINC001042344135 801204578 /nfs/dbraw/zinc/20/45/78/801204578.db2.gz SYSIINDOCUIGNI-SJLPKXTDSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@H]21 ZINC001042334872 801204723 /nfs/dbraw/zinc/20/47/23/801204723.db2.gz HWKHOQGSZMKORK-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(C)c(C)c2)CC1 ZINC001045631893 801282948 /nfs/dbraw/zinc/28/29/48/801282948.db2.gz COVWQSZWYKXNJU-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCCN1CC[C@@](C)(NC(=O)c2sccc2Cl)C1 ZINC001046335508 801307718 /nfs/dbraw/zinc/30/77/18/801307718.db2.gz AYHJCHNXIWUFFK-CQSZACIVSA-N 0 3 298.839 3.172 20 30 CGEDHN CCC[C@H](C)CC[C@@H](C)N1CCN(CCC#N)CC1 ZINC001257481917 807177926 /nfs/dbraw/zinc/17/79/26/807177926.db2.gz NAMWGANPUNQDJL-JKSUJKDBSA-N 0 3 265.445 3.123 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)(CC)CC ZINC001049815664 801388223 /nfs/dbraw/zinc/38/82/23/801388223.db2.gz QIBYBKNLBUZZOS-CVEARBPZSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC)CCCC1 ZINC001049814821 801388409 /nfs/dbraw/zinc/38/84/09/801388409.db2.gz BCMKGUIHVHGNGD-HZPDHXFCSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC)cc1 ZINC001049875933 801391493 /nfs/dbraw/zinc/39/14/93/801391493.db2.gz NKRDVJXRHRSYKX-MSOLQXFVSA-N 0 3 298.430 3.114 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001050192214 801399482 /nfs/dbraw/zinc/39/94/82/801399482.db2.gz ZFZWNWNOZIRHED-FUHWJXTLSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071714819 801547565 /nfs/dbraw/zinc/54/75/65/801547565.db2.gz BBMHNYUCNAMLBZ-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071761892 801549251 /nfs/dbraw/zinc/54/92/51/801549251.db2.gz FEMXVTWVIADLON-GOEBONIOSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2occc2Cl)CC[C@H]1C ZINC001071796558 801551286 /nfs/dbraw/zinc/55/12/86/801551286.db2.gz UAWKYERIDFEPSK-VXGBXAGGSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001084573884 801668896 /nfs/dbraw/zinc/66/88/96/801668896.db2.gz FWSMJJNNVKAOJQ-HZPDHXFCSA-N 0 3 290.451 3.088 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC1(C)C ZINC001085303811 801681938 /nfs/dbraw/zinc/68/19/38/801681938.db2.gz ZOSBDTHBUWKEBZ-MGPQQGTHSA-N 0 3 298.858 3.192 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085939627 801711534 /nfs/dbraw/zinc/71/15/34/801711534.db2.gz MRONBDXCVXLBLY-OAHLLOKOSA-N 0 3 292.810 3.062 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001085990034 801717053 /nfs/dbraw/zinc/71/70/53/801717053.db2.gz FWEPSNPGVZRLNK-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000185 801718357 /nfs/dbraw/zinc/71/83/57/801718357.db2.gz CTHUAZBCIRLXOQ-CQSZACIVSA-N 0 3 298.386 3.155 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1CC ZINC001087554079 801757019 /nfs/dbraw/zinc/75/70/19/801757019.db2.gz OMQGLRRQGFZQJF-JKSUJKDBSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001091217587 801853277 /nfs/dbraw/zinc/85/32/77/801853277.db2.gz BVADFFGVJBWKDK-ROKHWSDSSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C1CCCC1)C2 ZINC001095308442 801882618 /nfs/dbraw/zinc/88/26/18/801882618.db2.gz OTLMXUJDCNEGOF-ILXRZTDVSA-N 0 3 292.398 3.082 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102407621 802007775 /nfs/dbraw/zinc/00/77/75/802007775.db2.gz FQRGQTSUSFHSMT-JFDUVMPXSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001109891796 802127605 /nfs/dbraw/zinc/12/76/05/802127605.db2.gz UJSOMDCTGKBBEX-FZKCQIBNSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)(C)C)C2 ZINC001111168415 802154413 /nfs/dbraw/zinc/15/44/13/802154413.db2.gz RXXAPCKZYYKXJD-KFWWJZLASA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CCCC)C1 ZINC001111608169 802164993 /nfs/dbraw/zinc/16/49/93/802164993.db2.gz FFZKTELAXDQFSG-BQFCYCMXSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC2CCCC2)CC1 ZINC001112598583 802180673 /nfs/dbraw/zinc/18/06/73/802180673.db2.gz RLNFJPJRJLTMPN-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCCC)CC1 ZINC001112615272 802182976 /nfs/dbraw/zinc/18/29/76/802182976.db2.gz NJMNTYJCGRVJBA-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001113230259 802208328 /nfs/dbraw/zinc/20/83/28/802208328.db2.gz ZQGSIFBBWZXMJY-LSDHHAIUSA-N 0 3 280.456 3.025 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCC(C)C)CC1 ZINC001113375634 802217032 /nfs/dbraw/zinc/21/70/32/802217032.db2.gz XFECCBFJXXTQEF-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CCCCCC ZINC001115106743 802253285 /nfs/dbraw/zinc/25/32/85/802253285.db2.gz ZXFQISPCHIUWMS-LISAXSMJSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN(Cc1ccccc1)c1cc(CN(C)C)ccn1 ZINC001165160253 806973207 /nfs/dbraw/zinc/97/32/07/806973207.db2.gz SLZPIKQICRIXQG-UHFFFAOYSA-N 0 3 281.403 3.336 20 30 CGEDHN C#CC[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC001116387894 802340497 /nfs/dbraw/zinc/34/04/97/802340497.db2.gz QHIACHBMBLYKAP-GHTZIAJQSA-N 0 3 297.423 3.278 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1NC(C)C ZINC001121996304 802855699 /nfs/dbraw/zinc/85/56/99/802855699.db2.gz FQEGUTBQBVTDQI-CYBMUJFWSA-N 0 3 293.386 3.268 20 30 CGEDHN Cc1cc(F)cc(C(=O)C(C#N)c2cccc(F)n2)c1 ZINC001122632128 802877835 /nfs/dbraw/zinc/87/78/35/802877835.db2.gz PVSJALJXQXPVJP-LBPRGKRZSA-N 0 3 272.254 3.158 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCSc1ccccc1 ZINC001123336175 802930289 /nfs/dbraw/zinc/93/02/89/802930289.db2.gz CSNKOWMHZLUFEG-CQSZACIVSA-N 0 3 299.399 3.262 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001123336527 802930348 /nfs/dbraw/zinc/93/03/48/802930348.db2.gz IGELDMQWBJPLMQ-IUODEOHRSA-N 0 3 299.349 3.097 20 30 CGEDHN COc1ccc(-c2ccc3c(N)ccnc3c2)c(C#N)c1 ZINC001243731140 802970558 /nfs/dbraw/zinc/97/05/58/802970558.db2.gz QBGBGQBKMYPDAM-UHFFFAOYSA-N 0 3 275.311 3.364 20 30 CGEDHN CN(Cc1ccc(C2=CC[C@@H](C#N)CC2)nc1)C1CC1 ZINC001243797948 803016364 /nfs/dbraw/zinc/01/63/64/803016364.db2.gz QDGFQNPIQJZPSN-CYBMUJFWSA-N 0 3 267.376 3.383 20 30 CGEDHN N#C[C@H]1CC=C(c2ncccc2CN2CCCC2)CC1 ZINC001243798880 803017274 /nfs/dbraw/zinc/01/72/74/803017274.db2.gz UERVBPYFTXUBFJ-AWEZNQCLSA-N 0 3 267.376 3.384 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001132248595 803386681 /nfs/dbraw/zinc/38/66/81/803386681.db2.gz HAODONQRXZBNSF-HOTGVXAUSA-N 0 3 278.440 3.278 20 30 CGEDHN N#Cc1cccc(-c2ccc3c(N)ccnc3c2)c1F ZINC001245067853 803629653 /nfs/dbraw/zinc/62/96/53/803629653.db2.gz AHLWCLNANNGVIR-UHFFFAOYSA-N 0 3 263.275 3.495 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C)[C@@H](C)C2)c(C#N)c1 ZINC001137699506 803761135 /nfs/dbraw/zinc/76/11/35/803761135.db2.gz JWEAHTWLYKARTK-KGLIPLIRSA-N 0 3 272.392 3.435 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C)CC2)c(C#N)c1 ZINC001137699800 803761460 /nfs/dbraw/zinc/76/14/60/803761460.db2.gz VCMAVOFAOSQNLM-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN C#CCOc1ccc(C[N@@H+](CC)Cc2ccccc2[O-])cc1 ZINC001138559770 803968908 /nfs/dbraw/zinc/96/89/08/803968908.db2.gz BJWAGHXMECCPGM-UHFFFAOYSA-N 0 3 295.382 3.426 20 30 CGEDHN C#CCOc1ccc(C[N@H+](CC)Cc2ccccc2[O-])cc1 ZINC001138559770 803968913 /nfs/dbraw/zinc/96/89/13/803968913.db2.gz BJWAGHXMECCPGM-UHFFFAOYSA-N 0 3 295.382 3.426 20 30 CGEDHN C=CCc1cccc(C[NH+]2CC(c3cccnc3)C2)c1[O-] ZINC001138628087 803985314 /nfs/dbraw/zinc/98/53/14/803985314.db2.gz MVZAILSFPYJCDW-UHFFFAOYSA-N 0 3 280.371 3.115 20 30 CGEDHN C=C(C)COc1ccccc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001138665007 803996436 /nfs/dbraw/zinc/99/64/36/803996436.db2.gz FACSGZKWBWIDNI-PHZGNYQRSA-N 0 3 275.367 3.289 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@@]2(CCCO2)C1 ZINC001138662397 803996881 /nfs/dbraw/zinc/99/68/81/803996881.db2.gz WWHBTDBKWFCJKD-SFHVURJKSA-N 0 3 287.403 3.396 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC[C@]12CCOC2 ZINC001138665702 803997859 /nfs/dbraw/zinc/99/78/59/803997859.db2.gz UODNICDXJTZIBN-GOSISDBHSA-N 0 3 287.403 3.396 20 30 CGEDHN Cc1cccc(Cl)c1CN1CCC2SC(=O)C=C2C1 ZINC001138721515 804018109 /nfs/dbraw/zinc/01/81/09/804018109.db2.gz XBSDCOHEHFBOPR-CQSZACIVSA-N 0 3 293.819 3.423 20 30 CGEDHN Fc1ccc(-c2n[nH]cc2CN2CCC(S)CC2)cc1 ZINC001138882497 804060437 /nfs/dbraw/zinc/06/04/37/804060437.db2.gz DPHLEVCJWKQNLV-UHFFFAOYSA-N 0 3 291.395 3.110 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@]2(CCO2)C1 ZINC001139030498 804114731 /nfs/dbraw/zinc/11/47/31/804114731.db2.gz ORMPPUJPUQJHRE-KRWDZBQOSA-N 0 3 273.376 3.006 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC3CCC(CC3)C2)c1 ZINC001139650174 804243141 /nfs/dbraw/zinc/24/31/41/804243141.db2.gz SHXFYIKEVLYMFV-UHFFFAOYSA-N 0 3 258.340 3.319 20 30 CGEDHN N#Cc1cccc2c(CN3CC[C@@H]4OCCC[C@@H]4C3)c[nH]c21 ZINC001139702084 804258811 /nfs/dbraw/zinc/25/88/11/804258811.db2.gz VLVRERIFGRCKON-PBHICJAKSA-N 0 3 295.386 3.040 20 30 CGEDHN N#Cc1cccc2c(CN3CCC[C@@H]4C[C@@H]43)c[nH]c21 ZINC001139706645 804260600 /nfs/dbraw/zinc/26/06/00/804260600.db2.gz COAQWOWKGSHODU-ABAIWWIYSA-N 0 3 251.333 3.024 20 30 CGEDHN COc1cc(C[NH2+]C2CCC(C#N)CC2)cc(Cl)c1[O-] ZINC001256959351 807016116 /nfs/dbraw/zinc/01/61/16/807016116.db2.gz AYBVWQFBJDFBRW-UHFFFAOYSA-N 0 3 294.782 3.226 20 30 CGEDHN CSc1nc(CN(C)CCc2ccccc2)ccc1C#N ZINC001141929404 804680670 /nfs/dbraw/zinc/68/06/70/804680670.db2.gz UJDXLCVHABFBAW-UHFFFAOYSA-N 0 3 297.427 3.350 20 30 CGEDHN CO[C@@H]1CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972889 804683409 /nfs/dbraw/zinc/68/34/09/804683409.db2.gz UJWFTCLMBQZVFM-MRXNPFEDSA-N 0 3 297.423 3.369 20 30 CGEDHN C=CCSCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC001248115527 804881968 /nfs/dbraw/zinc/88/19/68/804881968.db2.gz HFQOVCORFOJKRI-UHFFFAOYSA-N 0 3 289.404 3.217 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CC2(C1)CCCC2 ZINC001248748563 804982071 /nfs/dbraw/zinc/98/20/71/804982071.db2.gz NPNFVNQEHCZKJM-UHFFFAOYSA-N 0 3 254.377 3.497 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC[C@@H](F)CC3)[nH]c2c1 ZINC001249426458 805146610 /nfs/dbraw/zinc/14/66/10/805146610.db2.gz RNMSHIZAAXRCNZ-CQSZACIVSA-N 0 3 271.339 3.364 20 30 CGEDHN Cc1cc(C#N)ccc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249554808 805176404 /nfs/dbraw/zinc/17/64/04/805176404.db2.gz FBIRUOCAPCRIDC-QGZVFWFLSA-N 0 3 297.402 3.047 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](CC)C(C)(C)C)C2)C1 ZINC001148599225 805197780 /nfs/dbraw/zinc/19/77/80/805197780.db2.gz JZHGYJVSGMBGQB-OAHLLOKOSA-N 0 3 292.467 3.169 20 30 CGEDHN N#Cc1cc(F)ccc1-c1ccc2c(N)ccnc2c1 ZINC001242585537 823045721 /nfs/dbraw/zinc/04/57/21/823045721.db2.gz WHOZYTVDOVRLJX-UHFFFAOYSA-N 0 3 263.275 3.495 20 30 CGEDHN N#CC1CCC(N2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001256963721 807017724 /nfs/dbraw/zinc/01/77/24/807017724.db2.gz LGSOGSIWYGCDQG-MCIGGMRASA-N 0 3 260.303 3.138 20 30 CGEDHN Cc1cc(CN)nn1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257007749 807025479 /nfs/dbraw/zinc/02/54/79/807025479.db2.gz DBFHIVBSVFBTDK-UHFFFAOYSA-N 0 3 294.402 3.421 20 30 CGEDHN N#Cc1ccc(C2CCC(NCc3ccon3)CC2)cc1 ZINC001257009464 807025988 /nfs/dbraw/zinc/02/59/88/807025988.db2.gz LCLWKXHMXGWFDL-UHFFFAOYSA-N 0 3 281.359 3.362 20 30 CGEDHN CC[C@H]1C[C@@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001257113695 807055371 /nfs/dbraw/zinc/05/53/71/807055371.db2.gz JKDPNQVVVPCJFD-IHRRRGAJSA-N 0 3 295.427 3.056 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(C(C)=O)C[C@@H]1C ZINC001258050385 807276368 /nfs/dbraw/zinc/27/63/68/807276368.db2.gz TXNVPBZFECTIMG-CABCVRRESA-N 0 3 268.445 3.288 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)NCc1ccccc1C#N ZINC001168456096 807421159 /nfs/dbraw/zinc/42/11/59/807421159.db2.gz ODZNVQUEQNELJI-ZDUSSCGKSA-N 0 3 268.335 3.418 20 30 CGEDHN C[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258553645 807492668 /nfs/dbraw/zinc/49/26/68/807492668.db2.gz KLKFKBXWSYDODS-QWHCGFSZSA-N 0 3 295.427 3.056 20 30 CGEDHN C[C@H]1C[C@@H](NCC#CC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC001168828233 807521572 /nfs/dbraw/zinc/52/15/72/807521572.db2.gz FPGMQASCVXTAMR-UONOGXRCSA-N 0 3 294.439 3.023 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258729978 807576396 /nfs/dbraw/zinc/57/63/96/807576396.db2.gz ZZEFBZVBVUNSTG-KFWWJZLASA-N 0 3 294.439 3.425 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001258728964 807576803 /nfs/dbraw/zinc/57/68/03/807576803.db2.gz RPNYRONHQBJYKI-IHRRRGAJSA-N 0 3 280.412 3.035 20 30 CGEDHN C=CCC[C@H](C)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001258735264 807580648 /nfs/dbraw/zinc/58/06/48/807580648.db2.gz SHGYTNMREXGOGH-JTQLQIEISA-N 0 3 263.303 3.185 20 30 CGEDHN C=CCC[C@H](C)N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC001258735689 807581631 /nfs/dbraw/zinc/58/16/31/807581631.db2.gz ZDWNMLZWCDIUFA-HNNXBMFYSA-N 0 3 286.419 3.366 20 30 CGEDHN C=CCC[C@H](C)N(C)Cc1cn2ccc(C)cc2n1 ZINC001258735808 807582084 /nfs/dbraw/zinc/58/20/84/807582084.db2.gz CLCGIUXZTMCLSS-AWEZNQCLSA-N 0 3 257.381 3.429 20 30 CGEDHN CC[C@H](C[C@@H](C)CC)NC(=N)c1ccc(F)cn1 ZINC001258781695 807608794 /nfs/dbraw/zinc/60/87/94/807608794.db2.gz ZEROASDVVTXWOY-CMPLNLGQSA-N 0 3 251.349 3.141 20 30 CGEDHN NCc1ccc2c(n1)N(c1ccccc1CS)CCC2 ZINC001169590793 807673291 /nfs/dbraw/zinc/67/32/91/807673291.db2.gz OFJQSWSQRVLCSP-UHFFFAOYSA-N 0 3 285.416 3.054 20 30 CGEDHN CN(Cc1cc2ccccc2[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC001261237209 807717825 /nfs/dbraw/zinc/71/78/25/807717825.db2.gz KVMDOJDZDGEUSF-SWLSCSKDSA-N 0 3 253.349 3.292 20 30 CGEDHN N#CCC1CN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379092 807832850 /nfs/dbraw/zinc/83/28/50/807832850.db2.gz PWYGPAVYLSJOTQ-UHFFFAOYSA-N 0 3 279.387 3.236 20 30 CGEDHN N#CC1(c2ccccc2)CCC(N2CCCC23COC3)CC1 ZINC001170389288 807833483 /nfs/dbraw/zinc/83/34/83/807833483.db2.gz QGQYBAHKLNQAFX-UHFFFAOYSA-N 0 3 296.414 3.255 20 30 CGEDHN CO[C@@]1(C)C[C@H](NCC#Cc2cccc(Cl)c2)C1(C)C ZINC001170388115 807834747 /nfs/dbraw/zinc/83/47/47/807834747.db2.gz YQOKAGZHFATKCH-RDJZCZTQSA-N 0 3 291.822 3.485 20 30 CGEDHN CC#CCN(C)CCc1cc(Cl)cc(Cl)c1 ZINC001170702014 807878357 /nfs/dbraw/zinc/87/83/57/807878357.db2.gz LXIFGVYAYXVVJT-UHFFFAOYSA-N 0 3 256.176 3.491 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(CCC)c1ccccc1 ZINC001263246341 807941154 /nfs/dbraw/zinc/94/11/54/807941154.db2.gz NSXBNSPEKFFTLA-GDBMZVCRSA-N 0 3 294.826 3.288 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349296 808033180 /nfs/dbraw/zinc/03/31/80/808033180.db2.gz HYWFLUUHOKTNAQ-QWHCGFSZSA-N 0 3 264.319 3.104 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)Nc1ccnc(CN)c1 ZINC001171374329 808037379 /nfs/dbraw/zinc/03/73/79/808037379.db2.gz PVWAISJMFQSVPF-CYBMUJFWSA-N 0 3 283.375 3.278 20 30 CGEDHN N#CC[C@@H]1CCCN([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171493041 808075097 /nfs/dbraw/zinc/07/50/97/808075097.db2.gz LIJRLEAFIJJBOC-SWLSCSKDSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H](CC)CCCC)CC1 ZINC001265187704 808116947 /nfs/dbraw/zinc/11/69/47/808116947.db2.gz DBMNPLUWABIXCS-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN CC(C)C[C@H](C#N)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171735463 808127766 /nfs/dbraw/zinc/12/77/66/808127766.db2.gz WIZSDFSROAULPI-NXHRZFHOSA-N 0 3 285.435 3.177 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1[C@@H](C)NCCF ZINC001265995930 808199876 /nfs/dbraw/zinc/19/98/76/808199876.db2.gz AAJBHVKBRSYNDB-GDBMZVCRSA-N 0 3 296.430 3.084 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCOc1ccccc1 ZINC001172298613 808220012 /nfs/dbraw/zinc/22/00/12/808220012.db2.gz ZCWDKWKNJUGBTF-CQSZACIVSA-N 0 3 266.344 3.115 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(CC)CCCC1 ZINC001266180186 808223543 /nfs/dbraw/zinc/22/35/43/808223543.db2.gz BHCGKNRFYWTDKI-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN CC[C@H](C)OCC[C@@H](C)NCc1ccccc1C#N ZINC001172320357 808229338 /nfs/dbraw/zinc/22/93/38/808229338.db2.gz XIYQCEQMXLAVRW-KGLIPLIRSA-N 0 3 260.381 3.242 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001266242986 808231928 /nfs/dbraw/zinc/23/19/28/808231928.db2.gz KEYQDFUKVPEFPB-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCC(C)(C)C(=O)NCCN(CC)Cc1ccccc1 ZINC001266420416 808261758 /nfs/dbraw/zinc/26/17/58/808261758.db2.gz JXHLMNJMWGBRFE-UHFFFAOYSA-N 0 3 288.435 3.227 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)C[C@@H](C)CCCCCC)C1 ZINC001267023006 808347839 /nfs/dbraw/zinc/34/78/39/808347839.db2.gz PNXXZGQLOURDBJ-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(c2cccc(F)c2)CC1 ZINC001172509149 808365722 /nfs/dbraw/zinc/36/57/22/808365722.db2.gz KDPAFCBMZPQTTG-CQSZACIVSA-N 0 3 275.371 3.030 20 30 CGEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](C)CCCC)C1 ZINC001267459535 808429170 /nfs/dbraw/zinc/42/91/70/808429170.db2.gz KTBQILPWPXZGMZ-IRXDYDNUSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CN(C)C[C@@H](F)CC)C1 ZINC001267669478 808467527 /nfs/dbraw/zinc/46/75/27/808467527.db2.gz FRQRQUYGHZYYQK-CABCVRRESA-N 0 3 298.446 3.117 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904117 808476677 /nfs/dbraw/zinc/47/66/77/808476677.db2.gz LWBYIZPPAVXTHJ-CABCVRRESA-N 0 3 287.363 3.124 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(C)CCCC1)C(C)C ZINC001268220057 808560663 /nfs/dbraw/zinc/56/06/63/808560663.db2.gz NDBDPWQSDNXZFH-ZDUSSCGKSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C(C)(CC)CC)C(C)C ZINC001268226781 808562191 /nfs/dbraw/zinc/56/21/91/808562191.db2.gz DGOWXQVTQFSRRW-ZDUSSCGKSA-N 0 3 288.863 3.296 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001268244553 808568085 /nfs/dbraw/zinc/56/80/85/808568085.db2.gz DFOGZJIOISHZPK-INIZCTEOSA-N 0 3 292.467 3.479 20 30 CGEDHN CC#CCNCCN(CC)C(=O)c1ccccc1C1CCC1 ZINC001268494630 808593700 /nfs/dbraw/zinc/59/37/00/808593700.db2.gz MTYXPDHAILFLQI-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN C=CCOC1CCC(N[C@@H](C)c2nccs2)CC1 ZINC001173315726 808609048 /nfs/dbraw/zinc/60/90/48/808609048.db2.gz QUDKCAAUDLXWMG-HIFPTAJRSA-N 0 3 266.410 3.308 20 30 CGEDHN Cc1ccc2c(c1)[C@H](NC1CCC(CC#N)CC1)C(=O)N2 ZINC001173324324 808611400 /nfs/dbraw/zinc/61/14/00/808611400.db2.gz MGWQQWWKRPHWRJ-ZUEPYMLJSA-N 0 3 283.375 3.050 20 30 CGEDHN CC1(C#N)CCC(N2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001173594035 808650359 /nfs/dbraw/zinc/65/03/59/808650359.db2.gz POGLTDQDSFQHTA-HHTDUIENSA-N 0 3 256.340 3.231 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001269352979 808673226 /nfs/dbraw/zinc/67/32/26/808673226.db2.gz YDTXDXDRIYPFLT-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001270663868 808741350 /nfs/dbraw/zinc/74/13/50/808741350.db2.gz GHEOKEWHKAFHSP-SFHVURJKSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CC(C)(C)C(=O)NCC1(C)CCN(C[C@H](F)CC)CC1 ZINC001270899636 808753294 /nfs/dbraw/zinc/75/32/94/808753294.db2.gz TZAPSLDBKAOIFX-CQSZACIVSA-N 0 3 298.446 3.165 20 30 CGEDHN COc1ccc(Nc2ccccc2CN(C)C)c(C#N)c1 ZINC001173930148 808769932 /nfs/dbraw/zinc/76/99/32/808769932.db2.gz SKEXJZBZELLMOT-UHFFFAOYSA-N 0 3 281.359 3.372 20 30 CGEDHN COc1cc(C#N)ccc1Nc1ccccc1CN(C)C ZINC001173932826 808772039 /nfs/dbraw/zinc/77/20/39/808772039.db2.gz ZGGRTILKNQSFQR-UHFFFAOYSA-N 0 3 281.359 3.372 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(CC)CC)cc1 ZINC001272684070 808820468 /nfs/dbraw/zinc/82/04/68/808820468.db2.gz TWDYEHZVEZJHMA-AWEZNQCLSA-N 0 3 286.419 3.023 20 30 CGEDHN C=CCCCN1CCCC[C@@]12CC(=O)N([C@H](C)CC)C2 ZINC001273486906 808847704 /nfs/dbraw/zinc/84/77/04/808847704.db2.gz RJFPVGAKCVNDRN-WBVHZDCISA-N 0 3 278.440 3.208 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001276195246 808993538 /nfs/dbraw/zinc/99/35/38/808993538.db2.gz IAIMLTPUBYFGFD-GXTWGEPZSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001276195251 808993711 /nfs/dbraw/zinc/99/37/11/808993711.db2.gz IAIMLTPUBYFGFD-TZMCWYRMSA-N 0 3 286.847 3.003 20 30 CGEDHN Cc1cnccc1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001174537809 809069407 /nfs/dbraw/zinc/06/94/07/809069407.db2.gz QRLUTJLQBRJSMJ-UHFFFAOYSA-N 0 3 277.249 3.446 20 30 CGEDHN Cc1cnccc1Nc1ccc(C#N)cc1C(F)(F)F ZINC001174537962 809069705 /nfs/dbraw/zinc/06/97/05/809069705.db2.gz XUNRATOSDMPHEW-UHFFFAOYSA-N 0 3 277.249 3.446 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C(=C)C)[C@@H]1C ZINC001278516352 809138874 /nfs/dbraw/zinc/13/88/74/809138874.db2.gz RGABNJRPWZMNQZ-LSDHHAIUSA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC001279583395 809176269 /nfs/dbraw/zinc/17/62/69/809176269.db2.gz YDRWLWMONCFRMB-WMZOPIPTSA-N 0 3 290.451 3.137 20 30 CGEDHN C/C=C\C[C@H]1CCCN(Cc2cc(C#N)ccn2)C1 ZINC001175055093 809255125 /nfs/dbraw/zinc/25/51/25/809255125.db2.gz UMCPLYPNAMJYAD-SFAKSCPVSA-N 0 3 255.365 3.131 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](CCC)C(C)C)C(C)(C)C1 ZINC001282823655 809264950 /nfs/dbraw/zinc/26/49/50/809264950.db2.gz WUQWXBDFHHUBBR-HZPDHXFCSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(CC)CC)C1 ZINC001284819162 809318974 /nfs/dbraw/zinc/31/89/74/809318974.db2.gz UHRCSNOGRWSULN-UHFFFAOYSA-N 0 3 286.847 3.144 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)/C(C)=C/CC)c(F)c1 ZINC001285004056 809321678 /nfs/dbraw/zinc/32/16/78/809321678.db2.gz FDGGMFVHARIBMU-AWNIVKPZSA-N 0 3 290.382 3.074 20 30 CGEDHN N#Cc1cc(F)ccc1N1CCN(CCCC2CC2)CC1 ZINC001175454982 809411722 /nfs/dbraw/zinc/41/17/22/809411722.db2.gz ZKGZMFOTRIWGMJ-UHFFFAOYSA-N 0 3 287.382 3.010 20 30 CGEDHN CCCCCCCCC(=O)N(CC)[C@H]1CCN(C)C1 ZINC001300704110 809573094 /nfs/dbraw/zinc/57/30/94/809573094.db2.gz AXTFVNCYAGQOTQ-HNNXBMFYSA-N 0 3 268.445 3.290 20 30 CGEDHN CCCCCCCCC(=O)N1C[C@@H](CC)N[C@@H](C)C1 ZINC001301427690 809583754 /nfs/dbraw/zinc/58/37/54/809583754.db2.gz WVPBUBYNTDLOQA-LSDHHAIUSA-N 0 3 268.445 3.336 20 30 CGEDHN C#CC1CCN(Cc2ccc(CC(C)C)nc2)CC1 ZINC001182545976 810114422 /nfs/dbraw/zinc/11/44/22/810114422.db2.gz YRIGUVUNCKXMGD-UHFFFAOYSA-N 0 3 256.393 3.125 20 30 CGEDHN C[C@]1(c2ccccc2)CC[C@@H](NCC2(C#N)CCOCC2)C1 ZINC001184276159 810187977 /nfs/dbraw/zinc/18/79/77/810187977.db2.gz DEQYDVMLUWZZNI-MSOLQXFVSA-N 0 3 298.430 3.407 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCC[C@H](C)CC)[C@@H]2C1 ZINC001188044140 810445503 /nfs/dbraw/zinc/44/55/03/810445503.db2.gz VKCGZXOGQMJUAK-IXDOHACOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](CC)CCCCC)[C@@H]2C1 ZINC001190282805 810617298 /nfs/dbraw/zinc/61/72/98/810617298.db2.gz XBAAEGPXVGNAJD-YESZJQIVSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCNC(=O)N(CC)C1CCN(C)CC1 ZINC001191096859 810674914 /nfs/dbraw/zinc/67/49/14/810674914.db2.gz BQGDSCXZDUXQJQ-UHFFFAOYSA-N 0 3 283.460 3.083 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001191889505 810755008 /nfs/dbraw/zinc/75/50/08/810755008.db2.gz HBBJQPDAASKZNC-CVEARBPZSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001194199669 811034556 /nfs/dbraw/zinc/03/45/56/811034556.db2.gz FBKKBLPXZGVKCK-FUHWJXTLSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001194199671 811034819 /nfs/dbraw/zinc/03/48/19/811034819.db2.gz FBKKBLPXZGVKCK-WMZOPIPTSA-N 0 3 298.430 3.065 20 30 CGEDHN CCCCCCCCOC(=O)N(C)[C@H]1CCN(C)C1 ZINC001194740393 811121272 /nfs/dbraw/zinc/12/12/72/811121272.db2.gz JTLPIVSAZPOURJ-AWEZNQCLSA-N 0 3 270.417 3.119 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001196038553 811312816 /nfs/dbraw/zinc/31/28/16/811312816.db2.gz BWPLFHUACZSXOJ-HOTGVXAUSA-N 0 3 276.424 3.351 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001196038555 811312893 /nfs/dbraw/zinc/31/28/93/811312893.db2.gz BWPLFHUACZSXOJ-JKSUJKDBSA-N 0 3 276.424 3.351 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001196357497 811335628 /nfs/dbraw/zinc/33/56/28/811335628.db2.gz GBLJUMWCFFQBAG-INIZCTEOSA-N 0 3 284.419 3.015 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001196731870 811361873 /nfs/dbraw/zinc/36/18/73/811361873.db2.gz KCNAJEGGGYRPNP-FPLPWBNLSA-N 0 3 278.440 3.089 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CCCCCC)CC1 ZINC001198022105 811473416 /nfs/dbraw/zinc/47/34/16/811473416.db2.gz SYNFCWAZNXODBN-UHFFFAOYSA-N 0 3 266.429 3.067 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(CCC)CC2)CCCC1 ZINC001198423211 811500571 /nfs/dbraw/zinc/50/05/71/811500571.db2.gz MZENZWICVKWHSH-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=C[C@H](COC)NC/C=C/c1c(C)cc(C)cc1C ZINC001202093109 812014994 /nfs/dbraw/zinc/01/49/94/812014994.db2.gz QMPMIHIXGIMWLS-KXPUMZMLSA-N 0 3 259.393 3.416 20 30 CGEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001203340940 812315569 /nfs/dbraw/zinc/31/55/69/812315569.db2.gz NCEGMSKJHGPKKS-KGLIPLIRSA-N 0 3 296.842 3.112 20 30 CGEDHN COc1ccc(CN2CCC[C@H](CC#N)C2)c(C)c1C ZINC001203724204 812442434 /nfs/dbraw/zinc/44/24/34/812442434.db2.gz CMWYITZFTIHFPS-OAHLLOKOSA-N 0 3 272.392 3.438 20 30 CGEDHN Cc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1F ZINC001205192699 812904051 /nfs/dbraw/zinc/90/40/51/812904051.db2.gz CTNKTFZIHDOBAO-QKDCVEJESA-N 0 3 258.340 3.401 20 30 CGEDHN N#Cc1cc(CN2CCC3(CCCOC3)CC2)ccc1F ZINC001205496564 812990892 /nfs/dbraw/zinc/99/08/92/812990892.db2.gz DJQRREXVGLZZMN-UHFFFAOYSA-N 0 3 288.366 3.090 20 30 CGEDHN CCn1cc(CN2CCC(c3cccc(C#N)c3)CC2)cn1 ZINC001205538496 812996146 /nfs/dbraw/zinc/99/61/46/812996146.db2.gz MNEOYLIEEILADE-UHFFFAOYSA-N 0 3 294.402 3.154 20 30 CGEDHN C=CCCCCCCN1CC[C@@](N)(C(F)(F)F)C1 ZINC001206221723 813247212 /nfs/dbraw/zinc/24/72/12/813247212.db2.gz INNJUWMXYMSDLX-LBPRGKRZSA-N 0 3 264.335 3.088 20 30 CGEDHN C[C@@]1(CNCC#Cc2ccccc2)OCCc2ccccc21 ZINC001207316208 813539530 /nfs/dbraw/zinc/53/95/30/813539530.db2.gz XNCZRAPDEGRKOW-FQEVSTJZSA-N 0 3 291.394 3.116 20 30 CGEDHN Cc1cccc(CC[C@@H](C)NCC2(C#N)CCOCC2)c1 ZINC001207773402 813648392 /nfs/dbraw/zinc/64/83/92/813648392.db2.gz DHCDYOZVRQYYLC-MRXNPFEDSA-N 0 3 286.419 3.226 20 30 CGEDHN CCCCCCC/C=C/CN1CCC2(CNC(=O)O2)CC1 ZINC001208119190 813698269 /nfs/dbraw/zinc/69/82/69/813698269.db2.gz XVHFEWKQAMGVDR-CMDGGOBGSA-N 0 3 294.439 3.478 20 30 CGEDHN CS[C@H](C)CCN1CCc2ccc(C#N)cc2C1 ZINC001208137679 813704363 /nfs/dbraw/zinc/70/43/63/813704363.db2.gz GMYSRRIMJLTAGA-GFCCVEGCSA-N 0 3 260.406 3.058 20 30 CGEDHN C[C@]1(F)CCCN(CCCc2cccc(C#N)c2)C1 ZINC001208844463 813865069 /nfs/dbraw/zinc/86/50/69/813865069.db2.gz IGIVYJHXNMUXDU-INIZCTEOSA-N 0 3 260.356 3.315 20 30 CGEDHN C=CCCCCCN1CCCC[C@@H]1C(=O)NCCC ZINC001209427523 814027967 /nfs/dbraw/zinc/02/79/67/814027967.db2.gz RRLHKBOWLNNNEV-OAHLLOKOSA-N 0 3 266.429 3.114 20 30 CGEDHN C=CCCCCCCCN1CCN(C(C)=O)[C@@H](C)C1 ZINC001209441679 814041280 /nfs/dbraw/zinc/04/12/80/814041280.db2.gz JKLYKURTHDFWOB-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(OC)cc2)no1 ZINC001211436774 814891929 /nfs/dbraw/zinc/89/19/29/814891929.db2.gz WQTZNQZTJTXLIG-UHFFFAOYSA-N 0 3 299.374 3.244 20 30 CGEDHN CCCCCCCCC(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001216526592 815850997 /nfs/dbraw/zinc/85/09/97/815850997.db2.gz PWPQXWDNNPEZET-HUUCEWRRSA-N 0 3 286.435 3.143 20 30 CGEDHN C=C[C@H](CCCCCC)OC[C@H]1COC(C)(C)N1 ZINC001217896136 815994888 /nfs/dbraw/zinc/99/48/88/815994888.db2.gz OSWUQYLXIHGFIM-UONOGXRCSA-N 0 3 255.402 3.253 20 30 CGEDHN N#Cc1ccc(Cl)c(O[C@H]2CNCc3ccccc32)c1 ZINC001218488944 816244158 /nfs/dbraw/zinc/24/41/58/816244158.db2.gz NNFLVJKPHOHENY-INIZCTEOSA-N 0 3 284.746 3.435 20 30 CGEDHN CCN1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001227000641 817530374 /nfs/dbraw/zinc/53/03/74/817530374.db2.gz IFIIBTXBQKBWOA-CYBMUJFWSA-N 0 3 298.308 3.440 20 30 CGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228028519 817790048 /nfs/dbraw/zinc/79/00/48/817790048.db2.gz MRMMGPMXBWOLEM-PRYPJVTBSA-N 0 3 296.842 3.278 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccnc(C(C)(C)C)c2)C1 ZINC001232217992 818282013 /nfs/dbraw/zinc/28/20/13/818282013.db2.gz RUZVBAZBEUEJMD-AWEZNQCLSA-N 0 3 256.393 3.224 20 30 CGEDHN SC1CCN(Cc2cccn2Cc2ccccc2)CC1 ZINC001232233688 818288608 /nfs/dbraw/zinc/28/86/08/818288608.db2.gz LRGHKGFWJQAPIW-UHFFFAOYSA-N 0 3 286.444 3.431 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001232481305 818366199 /nfs/dbraw/zinc/36/61/99/818366199.db2.gz CXGDRJAJDAGSGB-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001232481306 818367256 /nfs/dbraw/zinc/36/72/56/818367256.db2.gz CXGDRJAJDAGSGB-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232820319 818448820 /nfs/dbraw/zinc/44/88/20/818448820.db2.gz DXDRHODIBWJBEJ-LLVKDONJSA-N 0 3 288.782 3.342 20 30 CGEDHN C=CCCCCN(C)Cc1ccc(OC(F)F)nc1 ZINC001232958756 818483685 /nfs/dbraw/zinc/48/36/85/818483685.db2.gz ZRKDUHXGESTZQL-UHFFFAOYSA-N 0 3 270.323 3.471 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(C#N)c2F)C2(CC2)C1 ZINC001233102731 818520777 /nfs/dbraw/zinc/52/07/77/818520777.db2.gz LNCXNBNWRVWQNH-LBPRGKRZSA-N 0 3 287.382 3.138 20 30 CGEDHN C#CC1CCN(Cc2ccc(O)c(OCC3CC3)c2)CC1 ZINC001233230307 818546616 /nfs/dbraw/zinc/54/66/16/818546616.db2.gz ZBNCFRRKRWEDBK-UHFFFAOYSA-N 0 3 285.387 3.026 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2c1CCO2 ZINC001233276482 818561963 /nfs/dbraw/zinc/56/19/63/818561963.db2.gz NKETYNBSAANTLH-UHFFFAOYSA-N 0 3 278.355 3.125 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233673614 818676390 /nfs/dbraw/zinc/67/63/90/818676390.db2.gz GZFVGSJDZJSJTQ-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234529517 818876114 /nfs/dbraw/zinc/87/61/14/818876114.db2.gz ZPUHTLHYJAFKKQ-AEFFLSMTSA-N 0 3 290.451 3.232 20 30 CGEDHN Cc1nc(C)c(CN2CCC(C#Cc3ccccc3)CC2)[nH]1 ZINC001234654967 818906141 /nfs/dbraw/zinc/90/61/41/818906141.db2.gz MSXSDWGOCFGPLM-UHFFFAOYSA-N 0 3 293.414 3.290 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235455156 819102223 /nfs/dbraw/zinc/10/22/23/819102223.db2.gz OVJRBZBZEUPBLA-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN N#Cc1nccc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236235147 819394404 /nfs/dbraw/zinc/39/44/04/819394404.db2.gz WBQGXKDLMWWMHM-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236915875 819637398 /nfs/dbraw/zinc/63/73/98/819637398.db2.gz GBOBGKXCIKWWEF-CQSZACIVSA-N 0 3 299.805 3.371 20 30 CGEDHN COc1ccc(C)c(CN2CCC[C@@H](CC#N)C2)c1 ZINC001237712987 819818071 /nfs/dbraw/zinc/81/80/71/819818071.db2.gz HWUARFVINMXEBM-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN Cc1c(Cl)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001237733716 819824202 /nfs/dbraw/zinc/82/42/02/819824202.db2.gz GBZNNUBLFNUHMN-AWEZNQCLSA-N 0 3 293.819 3.423 20 30 CGEDHN N#CC1CCN(Cc2ccccc2C2CCOCC2)CC1 ZINC001237898888 819871968 /nfs/dbraw/zinc/87/19/68/819871968.db2.gz MAMDKPKBQQCMPA-UHFFFAOYSA-N 0 3 284.403 3.316 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@]1(C)O ZINC001238079589 819926678 /nfs/dbraw/zinc/92/66/78/819926678.db2.gz DMYFNVKNNQRVCU-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN CSCCN(C)Cc1ccc(Cl)c(C#N)c1 ZINC001238199425 819953960 /nfs/dbraw/zinc/95/39/60/819953960.db2.gz SXXLTVHHGGDFQA-UHFFFAOYSA-N 0 3 254.786 3.006 20 30 CGEDHN CCc1cc(CN2CCC(n3ccnc3)CC2)ccc1C#N ZINC001238768451 820112739 /nfs/dbraw/zinc/11/27/39/820112739.db2.gz JBMSFZGIKUXUQX-UHFFFAOYSA-N 0 3 294.402 3.154 20 30 CGEDHN CCCCCCCCCOC(=O)N1CC[C@@H]1NC ZINC001239335426 820281866 /nfs/dbraw/zinc/28/18/66/820281866.db2.gz PYJVUASVWZPSEG-CYBMUJFWSA-N 0 3 256.390 3.125 20 30 CGEDHN CCCCCCCCCNC(=S)N1CCNCC1(C)C ZINC001239439329 820306723 /nfs/dbraw/zinc/30/67/23/820306723.db2.gz UCKVJQHFSWDNBR-UHFFFAOYSA-N 0 3 299.528 3.295 20 30 CGEDHN CN1CC=C(c2ccc(C#C[Si](C)(C)C)cn2)CC1 ZINC001241307910 821721300 /nfs/dbraw/zinc/72/13/00/821721300.db2.gz MEWFMIFUXTWUCA-UHFFFAOYSA-N 0 3 270.452 3.029 20 30 CGEDHN CN1CC=C(c2ncc(C#N)c3oc(C(C)(C)C)nc32)CC1 ZINC001241311323 821722603 /nfs/dbraw/zinc/72/26/03/821722603.db2.gz VALGIIUHNWIZGC-UHFFFAOYSA-N 0 3 296.374 3.111 20 30 CGEDHN CCc1cc(C2=CCCN(C)C2)cc(CC)c1C#N ZINC001241570927 821956560 /nfs/dbraw/zinc/95/65/60/821956560.db2.gz QXCAGPVQIQDIPO-UHFFFAOYSA-N 0 3 254.377 3.402 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001330184189 935274201 /nfs/dbraw/zinc/27/42/01/935274201.db2.gz LSKODJKMDLSICN-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1F ZINC001339383516 936369807 /nfs/dbraw/zinc/36/98/07/936369807.db2.gz YFGJQQZJIKIAEH-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001339951387 936392492 /nfs/dbraw/zinc/39/24/92/936392492.db2.gz KSQOKFOYKNBIAS-PVAVHDDUSA-N 0 3 286.419 3.075 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC001339996772 936394814 /nfs/dbraw/zinc/39/48/14/936394814.db2.gz UTFSVGQDVLWHAT-ZWKOTPCHSA-N 0 3 298.430 3.349 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001340605469 936409215 /nfs/dbraw/zinc/40/92/15/936409215.db2.gz ZCNCNBIVEKXXHY-BBRMVZONSA-N 0 3 292.398 3.419 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC)c1cc(F)ccc1F ZINC001340728671 936412357 /nfs/dbraw/zinc/41/23/57/936412357.db2.gz UWLXYNLZEOFUFX-GJZGRUSLSA-N 0 3 296.361 3.216 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1N(C)CCC ZINC001340737162 936412773 /nfs/dbraw/zinc/41/27/73/936412773.db2.gz ZSYWHWQLVVXAFS-CQSZACIVSA-N 0 3 289.423 3.155 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC001340766666 936413703 /nfs/dbraw/zinc/41/37/03/936413703.db2.gz JCMJCPDVYZSZQJ-GWCFXTLKSA-N 0 3 298.789 3.340 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC001341336711 936434384 /nfs/dbraw/zinc/43/43/84/936434384.db2.gz IWXXYPYILXLMJT-IAGOWNOFSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCc2sccc2[C@H]1CC ZINC001341464458 936438847 /nfs/dbraw/zinc/43/88/47/936438847.db2.gz ABXWYKMLLDUIDI-UONOGXRCSA-N 0 3 292.448 3.268 20 30 CGEDHN CCc1ccc(C(=O)C(C#N)c2ccncn2)cc1CC ZINC001342579335 936470708 /nfs/dbraw/zinc/47/07/08/936470708.db2.gz DTHVBEIYXVEKSU-HNNXBMFYSA-N 0 3 279.343 3.091 20 30 CGEDHN N#CC(C(=O)CC1CCC1)c1nccn1Cc1ccccc1 ZINC001342924138 936483704 /nfs/dbraw/zinc/48/37/04/936483704.db2.gz JZKUAOFZFDICOT-MRXNPFEDSA-N 0 3 293.370 3.298 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCCC12CCCC2 ZINC001343612629 936507736 /nfs/dbraw/zinc/50/77/36/936507736.db2.gz KGCZSYFFYGCPBR-STQMWFEESA-N 0 3 284.831 3.076 20 30 CGEDHN N#CCCc1ccc(NC(=O)[C@H](N)C2CCCCCC2)cc1 ZINC001344802628 936543891 /nfs/dbraw/zinc/54/38/91/936543891.db2.gz SYDUGIKENOHJRE-QGZVFWFLSA-N 0 3 299.418 3.379 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCC(C)(C)C ZINC001344874731 936547530 /nfs/dbraw/zinc/54/75/30/936547530.db2.gz GLDQLFDYHVKLIX-LBPRGKRZSA-N 0 3 261.369 3.296 20 30 CGEDHN C[C@@H](Cc1ccco1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346001250 936833687 /nfs/dbraw/zinc/83/36/87/936833687.db2.gz WWUIAYOAUFDWSE-CABZTGNLSA-N 0 3 290.269 3.008 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)CC(C)C ZINC001346097139 936838200 /nfs/dbraw/zinc/83/82/00/936838200.db2.gz YONPAIDBDNQWOJ-STQMWFEESA-N 0 3 261.369 3.152 20 30 CGEDHN CSCC1(CC(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001350355598 936989245 /nfs/dbraw/zinc/98/92/45/936989245.db2.gz VLAIDLMUVTXCOH-SNVBAGLBSA-N 0 3 296.342 3.069 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCCC)cc1 ZINC001353689682 937074734 /nfs/dbraw/zinc/07/47/34/937074734.db2.gz WECOKKWGWHAOQR-HNNXBMFYSA-N 0 3 276.380 3.098 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001480954567 926836034 /nfs/dbraw/zinc/83/60/34/926836034.db2.gz DKWQSZHJRCXYOV-KRWDZBQOSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCN(CC)CCNC(=O)C(C)(C)CC(C)(C)C ZINC001481018302 926861450 /nfs/dbraw/zinc/86/14/50/926861450.db2.gz HYAHEWPDWIBMBE-UHFFFAOYSA-N 0 3 268.445 3.073 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(CSC)c1 ZINC001353314714 926914647 /nfs/dbraw/zinc/91/46/47/926914647.db2.gz WNKSCMRBNDUZNO-AWEZNQCLSA-N 0 3 278.421 3.172 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC001482642252 927335860 /nfs/dbraw/zinc/33/58/60/927335860.db2.gz AUVYXTZQVOCNNI-OAHLLOKOSA-N 0 3 282.472 3.415 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001506028454 927383233 /nfs/dbraw/zinc/38/32/33/927383233.db2.gz WOKNZWVNZSFONK-JYJNAYRXSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)CCCCCC)C1 ZINC001484176970 927686879 /nfs/dbraw/zinc/68/68/79/927686879.db2.gz ZDTDGXPFGOKFFV-QGZVFWFLSA-N 0 3 280.456 3.361 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001484935887 927774400 /nfs/dbraw/zinc/77/44/00/927774400.db2.gz BMISWAZJTVARIP-GDBMZVCRSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(-c2ccccc2)o1 ZINC001485352975 927853773 /nfs/dbraw/zinc/85/37/73/927853773.db2.gz ANUHEQKKYSPJNW-AWEZNQCLSA-N 0 3 298.386 3.183 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001485582863 927889034 /nfs/dbraw/zinc/88/90/34/927889034.db2.gz VDVLMEYIOUQXTM-HNNXBMFYSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C1C=CC=CC=C1)C(C)C ZINC001486370017 928012053 /nfs/dbraw/zinc/01/20/53/928012053.db2.gz NWICYANABCMDFK-UHFFFAOYSA-N 0 3 288.435 3.030 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848755 928073965 /nfs/dbraw/zinc/07/39/65/928073965.db2.gz KNXRDWWGVGFOPF-HUUCEWRRSA-N 0 3 298.496 3.017 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CC(C)C)CCCC1 ZINC001488702958 928296060 /nfs/dbraw/zinc/29/60/60/928296060.db2.gz MLBYWAKQUJNHQI-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001489255182 928320234 /nfs/dbraw/zinc/32/02/34/928320234.db2.gz DMHBBCCWFKPXBB-HIFRSBDPSA-N 0 3 292.448 3.102 20 30 CGEDHN C=CCC1(NC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001449610322 937380442 /nfs/dbraw/zinc/38/04/42/937380442.db2.gz REIVLBMHIMTIME-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN(Cc1c[nH]c(=O)c2ccccc12)C1CC1 ZINC001459811508 937501991 /nfs/dbraw/zinc/50/19/91/937501991.db2.gz ATDSIEHGXBJHOJ-UHFFFAOYSA-N 0 3 254.333 3.091 20 30 CGEDHN C#CCCN1CCc2c(ccc(OC)c2OC)[C@@H]1CC ZINC001460344692 937527989 /nfs/dbraw/zinc/52/79/89/937527989.db2.gz QZXIZFATIRBXGK-HNNXBMFYSA-N 0 3 273.376 3.036 20 30 CGEDHN C#C[C@H](CCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301652 932128597 /nfs/dbraw/zinc/12/85/97/932128597.db2.gz APPDEUXQACRTQB-OAHLLOKOSA-N 0 3 273.376 3.002 20 30 CGEDHN C=CC[C@H](NCc1cnc2ccc(C)cn12)c1ccncc1 ZINC001461217374 937570280 /nfs/dbraw/zinc/57/02/80/937570280.db2.gz DITRLGRMQLSQTR-KRWDZBQOSA-N 0 3 292.386 3.445 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCCc2c(cccc2OC)C1 ZINC001461814528 937598918 /nfs/dbraw/zinc/59/89/18/937598918.db2.gz BYSYCOWXPHNOFC-CABCVRRESA-N 0 3 272.392 3.224 20 30 CGEDHN C=C[C@H](C#CC(C)(C)C)Oc1ccc2[nH]c(N)nc2c1 ZINC001230517963 932583007 /nfs/dbraw/zinc/58/30/07/932583007.db2.gz JHSFMDZZPGVOLW-LLVKDONJSA-N 0 3 269.348 3.128 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1sccc1C ZINC001230588690 932594785 /nfs/dbraw/zinc/59/47/85/932594785.db2.gz RKLUJWXMUFSBRH-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230923311 932643322 /nfs/dbraw/zinc/64/33/22/932643322.db2.gz BQKXNMAWWFNLLT-CABCVRRESA-N 0 3 298.496 3.017 20 30 CGEDHN C=CC(C)(C)C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001492373260 932816081 /nfs/dbraw/zinc/81/60/81/932816081.db2.gz FZVBRKSRTGEREQ-ZDUSSCGKSA-N 0 3 292.398 3.147 20 30 CGEDHN C#CC[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC001308067447 933042612 /nfs/dbraw/zinc/04/26/12/933042612.db2.gz HJMMORHVGMLIJA-OAHLLOKOSA-N 0 3 257.764 3.037 20 30 CGEDHN CC(C)[C@@H]1N(Cc2cc(C#N)ccc2N(C)C)CC1(C)C ZINC001308790258 933177891 /nfs/dbraw/zinc/17/78/91/933177891.db2.gz HPYHNIUODNCSMZ-KRWDZBQOSA-N 0 3 285.435 3.491 20 30 CGEDHN CCCCCCCN1CC[C@H](NC(=O)c2ccco2)C1 ZINC001316968263 933501287 /nfs/dbraw/zinc/50/12/87/933501287.db2.gz CGPJWRBHIJYYFE-AWEZNQCLSA-N 0 3 278.396 3.054 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001317511235 933607009 /nfs/dbraw/zinc/60/70/09/933607009.db2.gz XBWKZKTVAOCQOH-UONOGXRCSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCC ZINC001318190666 933691803 /nfs/dbraw/zinc/69/18/03/933691803.db2.gz OOORIGGFAWJHDG-PMPSAXMXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2C(C)C)c1ccccc1 ZINC001318228940 933699316 /nfs/dbraw/zinc/69/93/16/933699316.db2.gz WQMFZCDICFKELD-SZMVWBNQSA-N 0 3 298.430 3.040 20 30 CGEDHN C#CCN(Cc1ccc(C(=O)OC(C)C)cc1)CC1CC1 ZINC001319666941 933911150 /nfs/dbraw/zinc/91/11/50/933911150.db2.gz QZCRYWJJVIUIBL-UHFFFAOYSA-N 0 3 285.387 3.097 20 30 CGEDHN C=CCCC(=O)N1CCC(CCN(C)C/C=C\Cl)CC1 ZINC001319875144 933947696 /nfs/dbraw/zinc/94/76/96/933947696.db2.gz MLZOWMHVAIMGFR-YHYXMXQVSA-N 0 3 298.858 3.266 20 30 CGEDHN C#CCCN(C)CCN(C)C(=O)CCCCC(C)(C)C ZINC001320000660 933977113 /nfs/dbraw/zinc/97/71/13/933977113.db2.gz XQPQOECFCHLGLA-UHFFFAOYSA-N 0 3 280.456 3.006 20 30 CGEDHN C#CCN(Cc1ccc(Cl)c(F)c1)CC1CC1 ZINC001320603184 934070676 /nfs/dbraw/zinc/07/06/76/934070676.db2.gz IQHWXENMPFQJLS-UHFFFAOYSA-N 0 3 251.732 3.324 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC001320998573 934132972 /nfs/dbraw/zinc/13/29/72/934132972.db2.gz DPLLQMWSAPXIGX-MLGOLLRUSA-N 0 3 275.392 3.208 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cccn2CCC(C)C)C1 ZINC001323786630 934426091 /nfs/dbraw/zinc/42/60/91/934426091.db2.gz XJZQWXGVXZVANK-KRWDZBQOSA-N 0 3 276.424 3.311 20 30 CGEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](CC)CCCCC)C1 ZINC001324674478 934545999 /nfs/dbraw/zinc/54/59/99/934545999.db2.gz QIRFMYPFQHQQCP-SJLPKXTDSA-N 0 3 292.467 3.197 20 30 CGEDHN CC[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC001473402816 937804766 /nfs/dbraw/zinc/80/47/66/937804766.db2.gz MZUOWPXBLZCRMW-DGCLKSJQSA-N 0 3 273.336 3.087 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccsc2C)C1 ZINC001324937350 934873895 /nfs/dbraw/zinc/87/38/95/934873895.db2.gz VLPKLNLYYWSYDP-INIZCTEOSA-N 0 3 292.448 3.074 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001327172570 935040439 /nfs/dbraw/zinc/04/04/39/935040439.db2.gz LAPZAFDVBPHRNY-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001328099380 935117445 /nfs/dbraw/zinc/11/74/45/935117445.db2.gz UVDKOMWLWBPTLB-HOTGVXAUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC001329468050 935217961 /nfs/dbraw/zinc/21/79/61/935217961.db2.gz BGKXDTQZLOSZNL-AWEZNQCLSA-N 0 3 288.435 3.220 20 30 CGEDHN C=C(C)[C@H](CO)N1CCc2cc(C(C)(C)C)ccc2C1 ZINC001330551978 935296267 /nfs/dbraw/zinc/29/62/67/935296267.db2.gz ZYMGHRZSEOTHOU-KRWDZBQOSA-N 0 3 273.420 3.279 20 30 CGEDHN CC1(NC2CC(C#N)(c3ccccc3)C2)CC(F)(F)C1 ZINC001333007392 935504275 /nfs/dbraw/zinc/50/42/75/935504275.db2.gz BPFKUWPEWADADJ-UHFFFAOYSA-N 0 3 276.330 3.388 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1cc2c(s1)CCC2 ZINC001338114383 936306784 /nfs/dbraw/zinc/30/67/84/936306784.db2.gz ZOBPTWCOMRPWIO-PWSUYJOCSA-N 0 3 251.395 3.088 20 30 CGEDHN C=CC[C@@H]1CCN1CCc1cccc2c1OC(F)(F)O2 ZINC001473865334 937826180 /nfs/dbraw/zinc/82/61/80/937826180.db2.gz PMKPGMSGOBXAHK-GFCCVEGCSA-N 0 3 281.302 3.201 20 30 CGEDHN Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc([O-])c(F)c1 ZINC001474019117 937835851 /nfs/dbraw/zinc/83/58/51/937835851.db2.gz OJLCMHSKTSSDAJ-UHFFFAOYSA-N 0 3 284.334 3.310 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(O)c(F)c1 ZINC001474019117 937835853 /nfs/dbraw/zinc/83/58/53/937835853.db2.gz OJLCMHSKTSSDAJ-UHFFFAOYSA-N 0 3 284.334 3.310 20 30 CGEDHN C#CCN1CCC[C@@H](NCc2ccc(Cl)cc2Cl)C1 ZINC001474265847 937847141 /nfs/dbraw/zinc/84/71/41/937847141.db2.gz IFKNFTTYZWNYEA-CQSZACIVSA-N 0 3 297.229 3.181 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN1C[C@H](C)[C@H](C)C1 ZINC001474369878 937855535 /nfs/dbraw/zinc/85/55/35/937855535.db2.gz QYXSSYDODUVQOR-BETUJISGSA-N 0 3 277.795 3.440 20 30 CGEDHN C#CCN(CC#CC)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001474369690 937855641 /nfs/dbraw/zinc/85/56/41/937855641.db2.gz OPEOFUYEHAYEFS-RBUKOAKNSA-N 0 3 265.400 3.455 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)oc1C ZINC001479732117 937924690 /nfs/dbraw/zinc/92/46/90/937924690.db2.gz WMGFTAHJPAXDQB-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001479944491 937929753 /nfs/dbraw/zinc/92/97/53/937929753.db2.gz VELPQEMJEXYZRL-OAHLLOKOSA-N 0 3 292.423 3.363 20 30 CGEDHN C#CCN1CCC[C@@H](CNC(=O)CCCCCC(C)C)C1 ZINC001480266497 937935664 /nfs/dbraw/zinc/93/56/64/937935664.db2.gz TYQDVVVMOPMCNL-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001480742904 937943315 /nfs/dbraw/zinc/94/33/15/937943315.db2.gz SAKSSQSUOJHMPN-HNNXBMFYSA-N 0 3 292.467 3.005 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001480743236 937943355 /nfs/dbraw/zinc/94/33/55/937943355.db2.gz XNGMPCUKCNAXAZ-IRXDYDNUSA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(CC)cc1 ZINC001480809478 937944562 /nfs/dbraw/zinc/94/45/62/937944562.db2.gz HLCAKCQNTLQKLK-ZDUSSCGKSA-N 0 3 294.826 3.100 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CCC)CC1 ZINC001494672763 937955784 /nfs/dbraw/zinc/95/57/84/937955784.db2.gz LWENBMICCMAHPC-PMPSAXMXSA-N 0 3 290.451 3.207 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCCC)C1 ZINC001495337376 937958937 /nfs/dbraw/zinc/95/89/37/937958937.db2.gz HWQYBFMXTHQDAP-CQSZACIVSA-N 0 3 286.847 3.147 20 30 CGEDHN CC#CCCCC(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001496764278 937964071 /nfs/dbraw/zinc/96/40/71/937964071.db2.gz OZYZHYPXPXQXDG-UHFFFAOYSA-N 0 3 290.451 3.071 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001498973127 937971666 /nfs/dbraw/zinc/97/16/66/937971666.db2.gz ISKBZIJGXQRWJM-KRWDZBQOSA-N 0 3 290.451 3.424 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001499107715 937972495 /nfs/dbraw/zinc/97/24/95/937972495.db2.gz USCNVQTWEVNOTF-QGZVFWFLSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)CC2=CCCCC2)C1 ZINC001500482259 937977508 /nfs/dbraw/zinc/97/75/08/937977508.db2.gz REZVXMVUCBXYAJ-SFHVURJKSA-N 0 3 290.451 3.281 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@H](F)CC ZINC001501391270 937979405 /nfs/dbraw/zinc/97/94/05/937979405.db2.gz POMIEJLOSOPNAU-OAGGEKHMSA-N 0 3 296.430 3.156 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNCC(=C)Cl)C1 ZINC001501614673 937980050 /nfs/dbraw/zinc/98/00/50/937980050.db2.gz GRLVKJRLRMYXTK-GOEBONIOSA-N 0 3 298.858 3.169 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)C2CC2)cc1 ZINC001501681342 937980189 /nfs/dbraw/zinc/98/01/89/937980189.db2.gz GYIPOMWAOCNUOD-HUUCEWRRSA-N 0 3 298.430 3.023 20 30 CGEDHN C=CC1(CC(=O)N(C)[C@H]2CCCN(C)C2)CCCCC1 ZINC001514797525 938002814 /nfs/dbraw/zinc/00/28/14/938002814.db2.gz LETDXKIANNIOIG-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(C)cc1 ZINC001517065462 938011020 /nfs/dbraw/zinc/01/10/20/938011020.db2.gz ZHHDNJYNYKKVPK-HNNXBMFYSA-N 0 3 281.359 3.021 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC001559554938 938229346 /nfs/dbraw/zinc/22/93/46/938229346.db2.gz OATFDMRBXLIFDJ-ZMSDIMECSA-N 0 3 287.403 3.291 20 30 CGEDHN C#CC[C@H]1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001560136378 938244970 /nfs/dbraw/zinc/24/49/70/938244970.db2.gz RHPFGUYKNCORFC-XHDPSFHLSA-N 0 3 298.213 3.372 20 30 CGEDHN C=CCCCN(CC)CC(=O)N(C1CC1)C1CCCC1 ZINC001560204189 938246947 /nfs/dbraw/zinc/24/69/47/938246947.db2.gz AWQHTCSDEYCTPS-UHFFFAOYSA-N 0 3 278.440 3.208 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC001560586008 938263924 /nfs/dbraw/zinc/26/39/24/938263924.db2.gz XITKEVHMCUYLFO-UHFFFAOYSA-N 0 3 290.366 3.169 20 30 CGEDHN CC(C)O[C@H]1C[C@H](NCC#Cc2ccccc2)C1(C)C ZINC001560737104 938272937 /nfs/dbraw/zinc/27/29/37/938272937.db2.gz SFLGZFUIWGVWML-IRXDYDNUSA-N 0 3 271.404 3.220 20 30 CGEDHN C[C@H]1CC[C@@H](NCC(C)(C)C#N)CN1Cc1ccccc1 ZINC001560741247 938273276 /nfs/dbraw/zinc/27/32/76/938273276.db2.gz QBBZHYAFKYQLNK-DOTOQJQBSA-N 0 3 285.435 3.179 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(CC(F)(F)F)cc1 ZINC001560819418 938278048 /nfs/dbraw/zinc/27/80/48/938278048.db2.gz SAYVQBJFKXQBTP-ZDUSSCGKSA-N 0 3 255.283 3.293 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(OC)c(O)cc2Cl)C1 ZINC001560948481 938286190 /nfs/dbraw/zinc/28/61/90/938286190.db2.gz YDOADJRZGPEEIJ-LLVKDONJSA-N 0 3 281.783 3.452 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001565819410 960836722 /nfs/dbraw/zinc/83/67/22/960836722.db2.gz FXNPUJRRRFRQSD-CABCVRRESA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001566819834 961026935 /nfs/dbraw/zinc/02/69/35/961026935.db2.gz UELMKRYWCCWRQQ-RKTZOXLDSA-N 0 3 296.842 3.207 20 30 CGEDHN C=C(C)CCC(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001567284751 961265321 /nfs/dbraw/zinc/26/53/21/961265321.db2.gz UMLCLZRANZPZHR-UHFFFAOYSA-N 0 3 288.435 3.153 20 30 CGEDHN C=CCN[C@H](CNC(=O)/C=C/C(C)(C)C)c1ccccc1 ZINC001567656720 961380806 /nfs/dbraw/zinc/38/08/06/961380806.db2.gz SJIAZAPBKZUBDL-LPQFERQCSA-N 0 3 286.419 3.222 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001567854070 961441975 /nfs/dbraw/zinc/44/19/75/961441975.db2.gz UJHHFIMNYUYHMR-IRXDYDNUSA-N 0 3 288.435 3.128 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCC1(C)CC1)CC2 ZINC001568252976 961529273 /nfs/dbraw/zinc/52/92/73/961529273.db2.gz USEGVOKGORXBNT-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(CCC)CC1)C(C)C ZINC001568462211 961583269 /nfs/dbraw/zinc/58/32/69/961583269.db2.gz HEEKIZQFMWDBMP-CYBMUJFWSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001569355431 961742056 /nfs/dbraw/zinc/74/20/56/961742056.db2.gz JTUXDPOEJKOLJP-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001569370055 961757043 /nfs/dbraw/zinc/75/70/43/961757043.db2.gz LTGLSTWITZFDHG-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](CC)CCCC)C1 ZINC001569630356 961815632 /nfs/dbraw/zinc/81/56/32/961815632.db2.gz YBQDUVBWAPNOER-NVXWUHKLSA-N 0 3 280.456 3.360 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)C2CC2)cc1 ZINC001570030002 961886742 /nfs/dbraw/zinc/88/67/42/961886742.db2.gz LVVLLJMTTGLCJM-LSDHHAIUSA-N 0 3 298.430 3.023 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001570218023 961934731 /nfs/dbraw/zinc/93/47/31/961934731.db2.gz IBBHJECXCAWXEZ-INIZCTEOSA-N 0 3 292.467 3.006 20 30 CGEDHN CC#CCN1CC[C@@H](NC(=O)CCCCC(C)C)C[C@@H]1C ZINC001570444038 961971955 /nfs/dbraw/zinc/97/19/55/961971955.db2.gz AXGVQPFGVUDRSO-DLBZAZTESA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001570500586 961981508 /nfs/dbraw/zinc/98/15/08/961981508.db2.gz WAVDANGOWVIFIM-WLRTZDKTSA-N 0 3 298.858 3.266 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)CC2=CCCCC2)C1 ZINC001570556773 961996878 /nfs/dbraw/zinc/99/68/78/961996878.db2.gz MUUVBJHHZGTQDP-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN C=CCCC(=O)NCC1=CCN(Cc2ccc(C)cc2)CC1 ZINC001571683127 962211954 /nfs/dbraw/zinc/21/19/54/962211954.db2.gz WMWBLTXNEJIIDU-UHFFFAOYSA-N 0 3 298.430 3.210 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)Cc1ccc(Cl)cc1 ZINC001574901794 962335178 /nfs/dbraw/zinc/33/51/78/962335178.db2.gz RDQJFLPFSYQLHG-HNNXBMFYSA-N 0 3 294.826 3.372 20 30 CGEDHN CC1(C)Nc2ccccc2[C@@H]1NCC1(CC#N)CC1 ZINC001576493456 962466950 /nfs/dbraw/zinc/46/69/50/962466950.db2.gz OMNUKXPZOMKGDB-AWEZNQCLSA-N 0 3 255.365 3.215 20 30 CGEDHN C=CC[C@@H](C)NCc1ccnn1CCc1ccccc1 ZINC000621336290 349499664 /nfs/dbraw/zinc/49/96/64/349499664.db2.gz RNFPUEAPKKGTCG-OAHLLOKOSA-N 0 3 269.392 3.180 20 30 CGEDHN C=CCCOCCNCc1ccc(CCC)s1 ZINC000621342926 349502397 /nfs/dbraw/zinc/50/23/97/349502397.db2.gz PCYRFFVAAAAETK-UHFFFAOYSA-N 0 3 253.411 3.383 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2nnc3ccccn32)C1 ZINC000651669965 398265662 /nfs/dbraw/zinc/26/56/62/398265662.db2.gz PRQALDGMQGKKGA-MGPQQGTHSA-N 0 3 270.380 3.125 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](CC2CC2)C1 ZINC000590202719 346836264 /nfs/dbraw/zinc/83/62/64/346836264.db2.gz MJIHNCVSHPNJPM-XJKSGUPXSA-N 0 3 297.402 3.007 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cn3cc(C)ccc3n2)C1 ZINC000651704967 398271978 /nfs/dbraw/zinc/27/19/78/398271978.db2.gz BBARGBUQGABTNV-CABCVRRESA-N 0 3 269.392 3.477 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)C(=O)Nc2ccccc2)C1 ZINC000651708045 398272770 /nfs/dbraw/zinc/27/27/70/398272770.db2.gz CWPYFESFVCOMLT-FMKPAKJESA-N 0 3 272.392 3.348 20 30 CGEDHN C[C@@H]1CSC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000590653599 346858974 /nfs/dbraw/zinc/85/89/74/346858974.db2.gz ZZDUKPSGSJNKHA-RNCFNFMXSA-N 0 3 266.797 3.053 20 30 CGEDHN C=CCNC(=O)CN[C@H](c1ccc(CCC)cc1)C(C)C ZINC000096955860 185140640 /nfs/dbraw/zinc/14/06/40/185140640.db2.gz ALQJHIGERULRBB-SFHVURJKSA-N 0 3 288.435 3.228 20 30 CGEDHN C[C@H](NC[C@H](O)[C@@H](C)c1ccccc1)c1cccc(C#N)c1 ZINC000590712584 346867063 /nfs/dbraw/zinc/86/70/63/346867063.db2.gz PHGVPXCZZXDVKV-DOXZYTNZSA-N 0 3 294.398 3.373 20 30 CGEDHN C[C@@H](N[C@H](CO)CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000338015413 214363268 /nfs/dbraw/zinc/36/32/68/214363268.db2.gz SJXQHTSNUJZHDT-WBMJQRKESA-N 0 3 290.382 3.289 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)[C@@H]1SC ZINC000590957383 346890138 /nfs/dbraw/zinc/89/01/38/346890138.db2.gz RMEOJVCCVBAPCF-KSYCFECVSA-N 0 3 290.432 3.118 20 30 CGEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000358562432 529666774 /nfs/dbraw/zinc/66/67/74/529666774.db2.gz GUNWUAQNDFQDMC-RLCCDNCMSA-N 0 3 276.355 3.306 20 30 CGEDHN CCc1cnccc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000358498646 529677708 /nfs/dbraw/zinc/67/77/08/529677708.db2.gz DGZMSQNYDCUQLV-CYBMUJFWSA-N 0 3 265.360 3.366 20 30 CGEDHN Cc1nc(CN)ccc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000591570981 346929268 /nfs/dbraw/zinc/92/92/68/346929268.db2.gz NQYHZHASJANZDI-STQMWFEESA-N 0 3 294.402 3.132 20 30 CGEDHN C=CCOCCCNCc1ccsc1Br ZINC000623569337 349837489 /nfs/dbraw/zinc/83/74/89/349837489.db2.gz CNCBFEGLYSOGHV-UHFFFAOYSA-N 0 3 290.226 3.193 20 30 CGEDHN CC(C)(C)C[C@@H]1CCCN1Cc1ccncc1C#N ZINC000592066043 346958959 /nfs/dbraw/zinc/95/89/59/346958959.db2.gz FQQZQYMRMQRPJU-HNNXBMFYSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)CN(Cc1ccncc1C#N)CC(C)(C)C ZINC000592073584 346961216 /nfs/dbraw/zinc/96/12/16/346961216.db2.gz ICUSEJSRHNFJTP-UHFFFAOYSA-N 0 3 259.397 3.457 20 30 CGEDHN N#Cc1cccc(NC(=O)CN2CCCC[C@@H]2C2CCC2)c1 ZINC000592197800 346971335 /nfs/dbraw/zinc/97/13/35/346971335.db2.gz KIFJSLKKTADUHB-QGZVFWFLSA-N 0 3 297.402 3.151 20 30 CGEDHN C[C@@H]1C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)CO1 ZINC000592399625 346984826 /nfs/dbraw/zinc/98/48/26/346984826.db2.gz OTKXMVKRWADACH-VMGRFDJRSA-N 0 3 270.376 3.093 20 30 CGEDHN C=CCSCCNCc1cnn(-c2ccccc2C)c1 ZINC000592363288 346979009 /nfs/dbraw/zinc/97/90/09/346979009.db2.gz PMMRHLKEXVGASG-UHFFFAOYSA-N 0 3 287.432 3.190 20 30 CGEDHN CCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000048070701 345060513 /nfs/dbraw/zinc/06/05/13/345060513.db2.gz YOIHFVWNCODAGB-OAHLLOKOSA-N 0 3 287.407 3.054 20 30 CGEDHN CCOc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000079732187 345653341 /nfs/dbraw/zinc/65/33/41/345653341.db2.gz KURQTVFTKVFUIQ-QMMMGPOBSA-N 0 3 286.253 3.094 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084135064 345729995 /nfs/dbraw/zinc/72/99/95/345729995.db2.gz KVINKYXHKQWWRB-INIZCTEOSA-N 0 3 271.360 3.391 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000092071398 345830043 /nfs/dbraw/zinc/83/00/43/345830043.db2.gz ZQERJABVMKXWSV-MRXNPFEDSA-N 0 3 297.402 3.354 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)sc2C)CC1 ZINC000106038940 345929896 /nfs/dbraw/zinc/92/98/96/345929896.db2.gz QWJIPBXADNWFON-UHFFFAOYSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000111693142 345951077 /nfs/dbraw/zinc/95/10/77/345951077.db2.gz AQZVOSSQFAJSKQ-RBSFLKMASA-N 0 3 278.440 3.062 20 30 CGEDHN COC(=O)[C@H](C)[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000131922903 346068369 /nfs/dbraw/zinc/06/83/69/346068369.db2.gz SHCBYBPESONFAF-UKRRQHHQSA-N 0 3 288.391 3.066 20 30 CGEDHN N#C[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000148852815 346129579 /nfs/dbraw/zinc/12/95/79/346129579.db2.gz FMDMCMJUWVHVOY-SFHVURJKSA-N 0 3 283.419 3.202 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000229274261 346316947 /nfs/dbraw/zinc/31/69/47/346316947.db2.gz PBPUADKRBGLQIF-INIZCTEOSA-N 0 3 270.376 3.140 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@H](CC)CC#N)C12CCCC2 ZINC000251370239 346388399 /nfs/dbraw/zinc/38/83/99/346388399.db2.gz QTCWUWQGQUABTR-HZSPNIEDSA-N 0 3 250.386 3.006 20 30 CGEDHN N#CC1(CNC[C@H]2CCOc3ccccc32)CCCC1 ZINC000593652576 347099088 /nfs/dbraw/zinc/09/90/88/347099088.db2.gz CHRDUUKZQGSRFW-CQSZACIVSA-N 0 3 270.376 3.226 20 30 CGEDHN N#CC1(CNC[C@@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000593653035 347099394 /nfs/dbraw/zinc/09/93/94/347099394.db2.gz YCUXYTKIFGMREC-JKSUJKDBSA-N 0 3 254.377 3.464 20 30 CGEDHN CC(C)[C@H]1C[C@H](NCC2(C#N)CCCC2)CS1 ZINC000593654786 347101226 /nfs/dbraw/zinc/10/12/26/347101226.db2.gz OHNBZFAQCWCTFT-QWHCGFSZSA-N 0 3 252.427 3.190 20 30 CGEDHN COc1ccc2oc(CNCC(C)(C)CC#N)cc2c1 ZINC000459734207 346624879 /nfs/dbraw/zinc/62/48/79/346624879.db2.gz RLKQORHDHBBSAE-UHFFFAOYSA-N 0 3 272.348 3.471 20 30 CGEDHN COC[C@H](C)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000525874639 346641669 /nfs/dbraw/zinc/64/16/69/346641669.db2.gz OKWNBIRNKLPXDJ-DJIMGWMZSA-N 0 3 272.392 3.041 20 30 CGEDHN COC(C)(C)[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000585726518 346727892 /nfs/dbraw/zinc/72/78/92/346727892.db2.gz NYVTWBLHMMRJGY-SNVBAGLBSA-N 0 3 266.772 3.115 20 30 CGEDHN N#Cc1csc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000589200087 346789743 /nfs/dbraw/zinc/78/97/43/346789743.db2.gz ODRQJSWMKSGJRT-UONOGXRCSA-N 0 3 290.432 3.258 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000594027377 347139667 /nfs/dbraw/zinc/13/96/67/347139667.db2.gz TVTHHUXQEQEBCL-GOSISDBHSA-N 0 3 284.403 3.400 20 30 CGEDHN Cc1ncccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594034475 347140812 /nfs/dbraw/zinc/14/08/12/347140812.db2.gz BJMFGICRTLRKRZ-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN N#Cc1ccc(C2(NC[C@H](O)CC3CCCC3)CCC2)cc1 ZINC000594033288 347140831 /nfs/dbraw/zinc/14/08/31/347140831.db2.gz MKTOQWCCFRDTEG-GOSISDBHSA-N 0 3 298.430 3.468 20 30 CGEDHN CC[C@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCCO1 ZINC000594042124 347143446 /nfs/dbraw/zinc/14/34/46/347143446.db2.gz GRKCKZHKBPTSHN-HOTGVXAUSA-N 0 3 276.355 3.135 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1OC)[C@H]1CCCCO1 ZINC000594045511 347144217 /nfs/dbraw/zinc/14/42/17/347144217.db2.gz YXGJUAPCIQCMEL-JKSUJKDBSA-N 0 3 288.391 3.004 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)ccc1OC)[C@@H]1CCCCO1 ZINC000594044946 347144437 /nfs/dbraw/zinc/14/44/37/347144437.db2.gz VLQWMJXDRVNKKP-WBVHZDCISA-N 0 3 288.391 3.004 20 30 CGEDHN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccc(C#N)cn2)C1 ZINC000593983701 347129658 /nfs/dbraw/zinc/12/96/58/347129658.db2.gz IYQVUFLIJJKKGP-GOSISDBHSA-N 0 3 295.361 3.256 20 30 CGEDHN N#Cc1csc(CNC[C@H]2CCC3(CCCC3)O2)c1 ZINC000594523311 347189878 /nfs/dbraw/zinc/18/98/78/347189878.db2.gz PNHROFICAMHIHQ-CYBMUJFWSA-N 0 3 276.405 3.201 20 30 CGEDHN CC(C)[C@H]1CN(c2cccc(C(F)F)c2C#N)CCN1C ZINC000594575205 347195141 /nfs/dbraw/zinc/19/51/41/347195141.db2.gz MBAHVWFBKCLMRA-OAHLLOKOSA-N 0 3 293.361 3.272 20 30 CGEDHN N#Cc1c(F)cccc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594604353 347200856 /nfs/dbraw/zinc/20/08/56/347200856.db2.gz YOKALNZERDNBQQ-HZPDHXFCSA-N 0 3 273.355 3.126 20 30 CGEDHN CC(C)c1cccc(N(C)C(=O)[C@H](N)CCCCC#N)c1 ZINC000594431149 347173958 /nfs/dbraw/zinc/17/39/58/347173958.db2.gz ILMONYUSCUVHQD-MRXNPFEDSA-N 0 3 287.407 3.184 20 30 CGEDHN Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594426058 347174068 /nfs/dbraw/zinc/17/40/68/347174068.db2.gz CIZGMNBXKOFERR-DLBZAZTESA-N 0 3 299.418 3.070 20 30 CGEDHN CN(C)CCS[C@@H](C#N)c1ccc(Cl)cc1 ZINC000594892364 347221840 /nfs/dbraw/zinc/22/18/40/347221840.db2.gz UZJGFOFOBMTNSJ-LBPRGKRZSA-N 0 3 254.786 3.199 20 30 CGEDHN N#CC1(c2ccc(CNCc3ccccc3CO)cc2)CC1 ZINC000594920716 347230394 /nfs/dbraw/zinc/23/03/94/347230394.db2.gz BTYDOZHYOZZQSC-UHFFFAOYSA-N 0 3 292.382 3.024 20 30 CGEDHN CC[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000594950504 347238785 /nfs/dbraw/zinc/23/87/85/347238785.db2.gz NCQHDIRYLOSVFK-BFYDXBDKSA-N 0 3 270.376 3.093 20 30 CGEDHN CC[C@@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000594952617 347239584 /nfs/dbraw/zinc/23/95/84/347239584.db2.gz XLLYGIGUVHPUTL-HZPDHXFCSA-N 0 3 270.376 3.095 20 30 CGEDHN C=CCCSCCNCc1cnc2ccc(Cl)cn12 ZINC000594960128 347241317 /nfs/dbraw/zinc/24/13/17/347241317.db2.gz KJEOQKNDTVNKES-UHFFFAOYSA-N 0 3 295.839 3.387 20 30 CGEDHN CN(C(=O)[C@H](N)CCCC#N)C1CC(C)(C)CC(C)(C)C1 ZINC000595255266 347285827 /nfs/dbraw/zinc/28/58/27/347285827.db2.gz MMUVBWREFOXHQE-CQSZACIVSA-N 0 3 293.455 3.071 20 30 CGEDHN CCN(CCO[C@@H]1CC1(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000595294636 347288248 /nfs/dbraw/zinc/28/82/48/347288248.db2.gz AEKNGZIIGFRIFF-SWLSCSKDSA-N 0 3 294.345 3.365 20 30 CGEDHN N#Cc1ccc(C2(N[C@@H]3COC4(CCC4)C3)CCC2)cc1 ZINC000595048568 347269095 /nfs/dbraw/zinc/26/90/95/347269095.db2.gz WQCXOGNFOZLYOM-INIZCTEOSA-N 0 3 282.387 3.239 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1cnccc1C ZINC000595061264 347274707 /nfs/dbraw/zinc/27/47/07/347274707.db2.gz ZMTQSWDXVPTXBY-ZDUSSCGKSA-N 0 3 250.411 3.350 20 30 CGEDHN COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000595071422 347276960 /nfs/dbraw/zinc/27/69/60/347276960.db2.gz YZUMKZHFPUALHZ-QRTARXTBSA-N 0 3 288.391 3.055 20 30 CGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@]1(C)CCCO1 ZINC000595091592 347281330 /nfs/dbraw/zinc/28/13/30/347281330.db2.gz RSQKXUYNGHBPEP-KGLIPLIRSA-N 0 3 250.386 3.008 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1occc1C(=O)OC ZINC000595605400 347324815 /nfs/dbraw/zinc/32/48/15/347324815.db2.gz XVIRBSBGYALGNH-GXTWGEPZSA-N 0 3 277.364 3.291 20 30 CGEDHN Cc1cccc(C)c1OCCN1CCC[C@H](CC#N)C1 ZINC000595610397 347326265 /nfs/dbraw/zinc/32/62/65/347326265.db2.gz XUPZMPUXFUHEHV-MRXNPFEDSA-N 0 3 272.392 3.308 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CC#N)C1 ZINC000595613424 347327103 /nfs/dbraw/zinc/32/71/03/347327103.db2.gz COIFQURFGKVIPW-UKRRQHHQSA-N 0 3 253.349 3.245 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2csc(C(=O)OC)c2)C1 ZINC000595659501 347334520 /nfs/dbraw/zinc/33/45/20/347334520.db2.gz ORFUEJXEGSHFTN-GFCCVEGCSA-N 0 3 279.405 3.323 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000595661387 347335746 /nfs/dbraw/zinc/33/57/46/347335746.db2.gz ZXILODQCILXQTP-GFCCVEGCSA-N 0 3 279.405 3.323 20 30 CGEDHN COc1cccc([C@]2(C)CCN([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000595771085 347353506 /nfs/dbraw/zinc/35/35/06/347353506.db2.gz ZNNBRSYVWCBSPK-UWWQBHOKSA-N 0 3 284.403 3.351 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595786281 347356282 /nfs/dbraw/zinc/35/62/82/347356282.db2.gz HKKACBFWFNDTGD-ROUUACIJSA-N 0 3 284.403 3.339 20 30 CGEDHN Cc1n[nH]cc1C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595478433 347309626 /nfs/dbraw/zinc/30/96/26/347309626.db2.gz WQGXBBKKPGRMBC-UHFFFAOYSA-N 0 3 294.402 3.012 20 30 CGEDHN CC(C)n1cc(C2=CCCN([C@@H](C)CCC#N)CC2)nn1 ZINC000595524713 347316003 /nfs/dbraw/zinc/31/60/03/347316003.db2.gz OCCXHLCSIITFLJ-AWEZNQCLSA-N 0 3 287.411 3.030 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(C#N)c1 ZINC000595846001 347367412 /nfs/dbraw/zinc/36/74/12/347367412.db2.gz YWHHBJUCQPLKEX-GASCZTMLSA-N 0 3 256.324 3.380 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)C[C@@H]1CC1(C)C ZINC000595910173 347371563 /nfs/dbraw/zinc/37/15/63/347371563.db2.gz RHJBTGIIELJQBG-AWEZNQCLSA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1cccc(C#N)c1 ZINC000596652260 347498486 /nfs/dbraw/zinc/49/84/86/347498486.db2.gz OVRPOIIKXKBRHA-XIKOKIGWSA-N 0 3 277.371 3.479 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc3cc[nH]c32)C1 ZINC000597173340 347543615 /nfs/dbraw/zinc/54/36/15/347543615.db2.gz JEKKHXUQJYBFRQ-CYBMUJFWSA-N 0 3 253.349 3.294 20 30 CGEDHN CN(c1ccccc1)[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000597224426 347557612 /nfs/dbraw/zinc/55/76/12/347557612.db2.gz FGWPMGLRBQJXFT-INIZCTEOSA-N 0 3 297.427 3.330 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cscn1 ZINC000598014469 347617225 /nfs/dbraw/zinc/61/72/25/347617225.db2.gz GRKZLSOXJMSWHQ-JSGCOSHPSA-N 0 3 299.399 3.093 20 30 CGEDHN CCN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@H](C)C#N ZINC000598351851 347647528 /nfs/dbraw/zinc/64/75/28/347647528.db2.gz YQEKUZQKYOVOTR-OAHLLOKOSA-N 0 3 299.418 3.047 20 30 CGEDHN CC(C)[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598381581 347652084 /nfs/dbraw/zinc/65/20/84/347652084.db2.gz OWVUDBDCSGOKOM-IAGOWNOFSA-N 0 3 284.403 3.310 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(C2CC2)ccc1F ZINC000598727414 347684185 /nfs/dbraw/zinc/68/41/85/347684185.db2.gz HJLYWEZVXOEYGT-HNNXBMFYSA-N 0 3 290.382 3.093 20 30 CGEDHN C=CC(C)(C)CCN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000599057445 347712316 /nfs/dbraw/zinc/71/23/16/347712316.db2.gz PUSXFCZDELUYAL-NSHDSACASA-N 0 3 265.353 3.319 20 30 CGEDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598586095 347666784 /nfs/dbraw/zinc/66/67/84/347666784.db2.gz COLUIYMSCXYOJI-YPMHNXCESA-N 0 3 296.361 3.258 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000598598002 347669406 /nfs/dbraw/zinc/66/94/06/347669406.db2.gz LVPHVGFGRXVWFK-JKSUJKDBSA-N 0 3 286.419 3.370 20 30 CGEDHN CCOc1cccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)c1 ZINC000598602140 347669892 /nfs/dbraw/zinc/66/98/92/347669892.db2.gz LFRLFVJFQNWXAA-UKRRQHHQSA-N 0 3 290.407 3.037 20 30 CGEDHN CSc1ccccc1CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598612271 347671510 /nfs/dbraw/zinc/67/15/10/347671510.db2.gz UPBIADQAQDKMOA-AWEZNQCLSA-N 0 3 292.448 3.141 20 30 CGEDHN COc1ccc([C@@H]2CCN([C@H](C)CCC#N)C2)cc1F ZINC000599680560 347765027 /nfs/dbraw/zinc/76/50/27/347765027.db2.gz RXOARYVCYQVHDQ-TZMCWYRMSA-N 0 3 276.355 3.316 20 30 CGEDHN CC(C)CCOCCN1CCc2c(CC#N)cccc2C1 ZINC000599678380 347765175 /nfs/dbraw/zinc/76/51/75/347765175.db2.gz IOWAZJMMMVVELW-UHFFFAOYSA-N 0 3 286.419 3.173 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1C#N ZINC000599352585 347738149 /nfs/dbraw/zinc/73/81/49/347738149.db2.gz DHJOPPQHPICXPJ-SJORKVTESA-N 0 3 286.419 3.096 20 30 CGEDHN Cc1c2ccccc2oc1[C@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599358344 347739706 /nfs/dbraw/zinc/73/97/06/347739706.db2.gz GVGXCISQHSLGMN-KBPBESRZSA-N 0 3 298.386 3.447 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)cc1C#N ZINC000599430469 347743985 /nfs/dbraw/zinc/74/39/85/347743985.db2.gz SNMHYCIVTNAJKR-QGZVFWFLSA-N 0 3 277.371 3.251 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1C#N ZINC000599451246 347746289 /nfs/dbraw/zinc/74/62/89/347746289.db2.gz UQRWDMBXQJVVPE-QGZVFWFLSA-N 0 3 272.392 3.256 20 30 CGEDHN CC1(C)CCC[C@](CO)(NCc2cc(C#N)ccc2F)C1 ZINC000599594765 347757027 /nfs/dbraw/zinc/75/70/27/347757027.db2.gz IXEIKKKGEVZXRR-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN N#CC1(c2ccc(CN[C@@H]3CCCn4nccc43)cc2)CC1 ZINC000601174097 347877483 /nfs/dbraw/zinc/87/74/83/347877483.db2.gz ORKOECOLSPRNKR-MRXNPFEDSA-N 0 3 292.386 3.063 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000601306127 347890550 /nfs/dbraw/zinc/89/05/50/347890550.db2.gz AXDFKVUBGPLNLG-GGZOMVNGSA-N 0 3 254.255 3.160 20 30 CGEDHN CN(C)Cc1cccc(CNCc2cccc(F)c2C#N)c1 ZINC000601996925 347931860 /nfs/dbraw/zinc/93/18/60/347931860.db2.gz JXEBFFDTJYRNCH-UHFFFAOYSA-N 0 3 297.377 3.049 20 30 CGEDHN C[C@@H](CCc1ccco1)NCc1cccc(F)c1C#N ZINC000601999887 347932099 /nfs/dbraw/zinc/93/20/99/347932099.db2.gz XBGCKCUPNRIHPJ-LBPRGKRZSA-N 0 3 272.323 3.401 20 30 CGEDHN CC(C#N)C(=O)NC[C@]1(Cc2ccccc2)C=CCCC1 ZINC000601746927 347911664 /nfs/dbraw/zinc/91/16/64/347911664.db2.gz WBCPPRJIOIVJBP-MAUKXSAKSA-N 0 3 282.387 3.231 20 30 CGEDHN C[C@H](CC1CCC1)NC(=O)C(C#N)CCc1ccccc1 ZINC000601868850 347920585 /nfs/dbraw/zinc/92/05/85/347920585.db2.gz HOEHNIKHSSIGRB-RHSMWYFYSA-N 0 3 284.403 3.454 20 30 CGEDHN C[C@H](CCC#N)CNCc1coc(-c2cccs2)n1 ZINC000602532181 347976428 /nfs/dbraw/zinc/97/64/28/347976428.db2.gz DSEVVPGUMHJQST-LLVKDONJSA-N 0 3 275.377 3.433 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000602469237 347963897 /nfs/dbraw/zinc/96/38/97/347963897.db2.gz RRNKVHXSPFZWBF-SJORKVTESA-N 0 3 285.435 3.133 20 30 CGEDHN N#Cc1cccc(CN2CCC3(C2)CCCCC3)n1 ZINC000602478517 347966429 /nfs/dbraw/zinc/96/64/29/347966429.db2.gz ZITOVMOHSXHRIO-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN N#Cc1cccc(CNCCCCc2ccccc2)n1 ZINC000602503826 347971492 /nfs/dbraw/zinc/97/14/92/347971492.db2.gz SAVOIBIYWJCUGA-UHFFFAOYSA-N 0 3 265.360 3.066 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000602568504 347984193 /nfs/dbraw/zinc/98/41/93/347984193.db2.gz NXIMXCHOKCAXIV-RISCZKNCSA-N 0 3 297.324 3.412 20 30 CGEDHN C[C@H](CCC#N)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000602585129 347988809 /nfs/dbraw/zinc/98/88/09/347988809.db2.gz NLUZKWRXCSYXKT-SNVBAGLBSA-N 0 3 270.298 3.476 20 30 CGEDHN C[C@H](CCCC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602632579 347997845 /nfs/dbraw/zinc/99/78/45/347997845.db2.gz CMRSRCQFTGBCMR-SNVBAGLBSA-N 0 3 271.286 3.164 20 30 CGEDHN C[C@@H](CCC#N)CN[C@@H](C)c1ccc(Br)cn1 ZINC000602637058 347997891 /nfs/dbraw/zinc/99/78/91/347997891.db2.gz BDVFYBHBVCERGM-QWRGUYRKSA-N 0 3 296.212 3.435 20 30 CGEDHN N#CCC1(CN2CCSC3(CCCCC3)C2)CC1 ZINC000602782123 348028350 /nfs/dbraw/zinc/02/83/50/348028350.db2.gz VNXJDQZUCWZFPF-UHFFFAOYSA-N 0 3 264.438 3.432 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)OC ZINC000602642473 347999828 /nfs/dbraw/zinc/99/98/28/347999828.db2.gz YEIQMVSTKXVFPH-VUCTXSBTSA-N 0 3 272.392 3.196 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000602673171 348006030 /nfs/dbraw/zinc/00/60/30/348006030.db2.gz OXSQQMACLCPEOK-LSDHHAIUSA-N 0 3 289.398 3.276 20 30 CGEDHN N#CCC1(CN2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000602788761 348028989 /nfs/dbraw/zinc/02/89/89/348028989.db2.gz QMIVYOALBHEVPR-CQSZACIVSA-N 0 3 258.340 3.309 20 30 CGEDHN C[C@H](NCc1cccc(C#N)n1)[C@H]1CCC[C@@H](C)C1 ZINC000602685524 348008855 /nfs/dbraw/zinc/00/88/55/348008855.db2.gz IJZJAEFPGNTZOF-RDBSUJKOSA-N 0 3 257.381 3.258 20 30 CGEDHN CO[C@H](CNCC1(C#N)CCCC1)C1CCCCC1 ZINC000602699179 348012034 /nfs/dbraw/zinc/01/20/34/348012034.db2.gz KDNNIHRDIXSLEV-OAHLLOKOSA-N 0 3 264.413 3.255 20 30 CGEDHN C[C@@H](CCC#N)CN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000602720398 348017202 /nfs/dbraw/zinc/01/72/02/348017202.db2.gz ZOWQILLNJRYEBV-GOEBONIOSA-N 0 3 288.391 3.373 20 30 CGEDHN C=CC(C)(C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602721376 348017235 /nfs/dbraw/zinc/01/72/35/348017235.db2.gz QJSVOJUYAFPTSA-UHFFFAOYSA-N 0 3 289.335 3.428 20 30 CGEDHN C[C@H](CCC#N)CN1CCc2c(CC#N)cccc2C1 ZINC000602729398 348020219 /nfs/dbraw/zinc/02/02/19/348020219.db2.gz JYPJCMHIIHNKTJ-CQSZACIVSA-N 0 3 267.376 3.051 20 30 CGEDHN N#CCC1(CN2CCC(OC3CCCCC3)CC2)CC1 ZINC000602767818 348025506 /nfs/dbraw/zinc/02/55/06/348025506.db2.gz YMFCCTFYXNJASB-UHFFFAOYSA-N 0 3 276.424 3.494 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@@H]1C ZINC000602769093 348026114 /nfs/dbraw/zinc/02/61/14/348026114.db2.gz MRSXVFOUCZJTFG-HIFRSBDPSA-N 0 3 290.363 3.008 20 30 CGEDHN N#Cc1cccc(CNCCCc2ccc(Cl)cc2)n1 ZINC000602545098 347978967 /nfs/dbraw/zinc/97/89/67/347978967.db2.gz SLTHUCXLVFAPTE-UHFFFAOYSA-N 0 3 285.778 3.329 20 30 CGEDHN COc1cc(F)c([C@H](C)NC[C@H](C)CCC#N)cc1OC ZINC000602548407 347980182 /nfs/dbraw/zinc/98/01/82/347980182.db2.gz YMUUWFBKKGZBHK-NEPJUHHUSA-N 0 3 294.370 3.433 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC000602556299 347981239 /nfs/dbraw/zinc/98/12/39/347981239.db2.gz KZNVXJWTJOXXBH-BFHYXJOUSA-N 0 3 255.365 3.012 20 30 CGEDHN C[C@@H](CCC#N)CNCc1nc(C(F)(F)F)cs1 ZINC000602561331 347981911 /nfs/dbraw/zinc/98/19/11/347981911.db2.gz YFHOVLUTEPMVPT-QMMMGPOBSA-N 0 3 277.315 3.191 20 30 CGEDHN N#CCC1(CN2Cc3ccccc3C3(CC3)C2)CC1 ZINC000602815194 348032844 /nfs/dbraw/zinc/03/28/44/348032844.db2.gz DRIARUXLPXWJBR-UHFFFAOYSA-N 0 3 252.361 3.228 20 30 CGEDHN N#CCC1(CN2CCC3(CC2)OCCc2ccccc23)CC1 ZINC000602837971 348035565 /nfs/dbraw/zinc/03/55/65/348035565.db2.gz QSJNQYYUMXBCSN-UHFFFAOYSA-N 0 3 296.414 3.244 20 30 CGEDHN Cc1cccnc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905748 348042538 /nfs/dbraw/zinc/04/25/38/348042538.db2.gz AIPKMJPKONFALA-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000602907056 348042553 /nfs/dbraw/zinc/04/25/53/348042553.db2.gz KYWHRCUOLUYEEO-UHFFFAOYSA-N 0 3 295.361 3.472 20 30 CGEDHN CN(C)CCOc1ccc(CNc2ccc(C#N)cc2)cc1 ZINC000603866215 348100295 /nfs/dbraw/zinc/10/02/95/348100295.db2.gz MWXOLEWGTBDSOF-UHFFFAOYSA-N 0 3 295.386 3.111 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000606816587 348201465 /nfs/dbraw/zinc/20/14/65/348201465.db2.gz CDBXEXMVBIVOLV-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN CC#CCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000607726903 348258305 /nfs/dbraw/zinc/25/83/05/348258305.db2.gz HDOWINCHEDUXJY-HNNXBMFYSA-N 0 3 252.361 3.371 20 30 CGEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000609620043 348348845 /nfs/dbraw/zinc/34/88/45/348348845.db2.gz KMTPEDANTVOALG-SUMWQHHRSA-N 0 3 294.354 3.060 20 30 CGEDHN CC[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000609676712 348350724 /nfs/dbraw/zinc/35/07/24/348350724.db2.gz LGRPBJJTXVVPTE-IRXDYDNUSA-N 0 3 299.418 3.033 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](n2ccnc2)C1 ZINC000609823361 348354172 /nfs/dbraw/zinc/35/41/72/348354172.db2.gz ADUIIVMRIZFAAX-PBHICJAKSA-N 0 3 280.375 3.153 20 30 CGEDHN CC1CCC(N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000611267850 348433642 /nfs/dbraw/zinc/43/36/42/348433642.db2.gz IIUFBGPIWGIKNH-KVZIAJEVSA-N 0 3 297.446 3.448 20 30 CGEDHN Cc1cc(C)c([C@@H](C)N2CCN(CCC#N)CC2)c(C)c1 ZINC000611174245 348426156 /nfs/dbraw/zinc/42/61/56/348426156.db2.gz GBIUAQSZNJTWTD-QGZVFWFLSA-N 0 3 285.435 3.204 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)ncn2C)c1cccc(C#N)c1 ZINC000611376971 348442303 /nfs/dbraw/zinc/44/23/03/348442303.db2.gz YKHNXKRAXDHANP-CYBMUJFWSA-N 0 3 290.370 3.296 20 30 CGEDHN C[C@@H](NCCN1CCc2ccccc21)c1cccc(C#N)c1 ZINC000611438201 348452359 /nfs/dbraw/zinc/45/23/59/348452359.db2.gz GERARSXPNQBYOP-OAHLLOKOSA-N 0 3 291.398 3.272 20 30 CGEDHN N#CCCCN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611527009 348458907 /nfs/dbraw/zinc/45/89/07/348458907.db2.gz VCOORJKODOYWAV-UHFFFAOYSA-N 0 3 286.375 3.464 20 30 CGEDHN COC1(C)CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614183046 348655976 /nfs/dbraw/zinc/65/59/76/348655976.db2.gz UFQKPPVCPAEJRR-UHFFFAOYSA-N 0 3 286.419 3.489 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000614182142 348656230 /nfs/dbraw/zinc/65/62/30/348656230.db2.gz GULKZGHGKIEPIW-UHFFFAOYSA-N 0 3 284.403 3.100 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)[C@H](CCO)c1ccccc1 ZINC000614402351 348673658 /nfs/dbraw/zinc/67/36/58/348673658.db2.gz USHYNSWWMMZEDI-LJQANCHMSA-N 0 3 294.398 3.422 20 30 CGEDHN COCC1(C)CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614407226 348674622 /nfs/dbraw/zinc/67/46/22/348674622.db2.gz IWAVZAZLHRMAJX-UHFFFAOYSA-N 0 3 272.392 3.115 20 30 CGEDHN CSCCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358566998 233157356 /nfs/dbraw/zinc/15/73/56/233157356.db2.gz IQVQJMFHDBGMAO-NSHDSACASA-N 0 3 266.385 3.491 20 30 CGEDHN CC(C)n1cc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000618568480 349107208 /nfs/dbraw/zinc/10/72/08/349107208.db2.gz WRRSODCWNOMTDM-GUTXKFCHSA-N 0 3 260.385 3.197 20 30 CGEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccnc1 ZINC000618805753 349157068 /nfs/dbraw/zinc/15/70/68/349157068.db2.gz KJXZSZSJWAEMCR-PXAZEXFGSA-N 0 3 263.344 3.291 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CC[C@H]2C2CCC2)c(F)c1 ZINC000619753515 349281886 /nfs/dbraw/zinc/28/18/86/349281886.db2.gz GPRBOPZOFZZYPF-HOCLYGCPSA-N 0 3 258.340 3.366 20 30 CGEDHN CC[C@@H](C)N1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784599 349285129 /nfs/dbraw/zinc/28/51/29/349285129.db2.gz DMQXYJSYTAQTAH-CZUORRHYSA-N 0 3 291.826 3.321 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657534 350193550 /nfs/dbraw/zinc/19/35/50/350193550.db2.gz VSSCGCWZROJHRT-BBRMVZONSA-N 0 3 281.346 3.081 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(C(F)(F)F)cn2)C1 ZINC000625701429 350198149 /nfs/dbraw/zinc/19/81/49/350198149.db2.gz JOERLSAWBXENPR-NSHDSACASA-N 0 3 270.298 3.498 20 30 CGEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2ncsc2c1 ZINC000359669761 233354818 /nfs/dbraw/zinc/35/48/18/233354818.db2.gz BQLUCBHOPIAQAM-NSHDSACASA-N 0 3 296.399 3.357 20 30 CGEDHN C=CCOCCN(CCOCC)[C@H]1CCc2ccccc21 ZINC000625977965 350239288 /nfs/dbraw/zinc/23/92/88/350239288.db2.gz AZHBNJPPSVXEER-SFHVURJKSA-N 0 3 289.419 3.215 20 30 CGEDHN Cc1ccncc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000271346743 191086160 /nfs/dbraw/zinc/08/61/60/191086160.db2.gz HCDWZLHTDDCVJH-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN CCC(O)(CC)CN(C)CC#Cc1cccc(Cl)c1 ZINC000626111068 350262169 /nfs/dbraw/zinc/26/21/69/350262169.db2.gz BFHCCPOLBDWRIQ-UHFFFAOYSA-N 0 3 279.811 3.174 20 30 CGEDHN COCC[C@@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000365267595 234092707 /nfs/dbraw/zinc/09/27/07/234092707.db2.gz XZAVBSHBAFVPLM-AWEZNQCLSA-N 0 3 290.382 3.336 20 30 CGEDHN CN(CCOc1ccccc1F)CCC(C)(C)C#N ZINC000157475683 188319586 /nfs/dbraw/zinc/31/95/86/188319586.db2.gz UVTNETCEPLRLMR-UHFFFAOYSA-N 0 3 264.344 3.076 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccccc1OC(F)F ZINC000271759837 191310142 /nfs/dbraw/zinc/31/01/42/191310142.db2.gz MERQCPCLNLUILM-NWDGAFQWSA-N 0 3 285.334 3.266 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccccc2N2CCCCC2)C1 ZINC000349826310 283067901 /nfs/dbraw/zinc/06/79/01/283067901.db2.gz AVPUBGPHWVDZDX-RDJZCZTQSA-N 0 3 283.419 3.459 20 30 CGEDHN C=CCCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000271777394 191320723 /nfs/dbraw/zinc/32/07/23/191320723.db2.gz KDXLRFSNIQJTKO-AWEZNQCLSA-N 0 3 255.308 3.208 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1COc3ccccc3C1)CC2 ZINC000353280074 283197636 /nfs/dbraw/zinc/19/76/36/283197636.db2.gz ZPXPSVLDKCQPFB-WMZOPIPTSA-N 0 3 290.366 3.139 20 30 CGEDHN N#Cc1c(F)cccc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000428220897 236378690 /nfs/dbraw/zinc/37/86/90/236378690.db2.gz IOAGJIUZZAXSDF-BETUJISGSA-N 0 3 258.340 3.319 20 30 CGEDHN Cc1cc(NC[C@H](c2ccsc2)N(C)C)cc(C#N)n1 ZINC000341744504 216086197 /nfs/dbraw/zinc/08/61/97/216086197.db2.gz UUHREUXTOCAPCK-OAHLLOKOSA-N 0 3 286.404 3.038 20 30 CGEDHN C=CCC[C@H](NCC(=O)NC(C)(C)C)c1ccccc1 ZINC000178756360 189143069 /nfs/dbraw/zinc/14/30/69/189143069.db2.gz GSKXLRRPQHOJFP-HNNXBMFYSA-N 0 3 274.408 3.198 20 30 CGEDHN C=C(C)COc1cccc(NC2CCN(C)CC2)c1 ZINC000179623484 189208598 /nfs/dbraw/zinc/20/85/98/189208598.db2.gz JKPXIIOAANDYJT-UHFFFAOYSA-N 0 3 260.381 3.148 20 30 CGEDHN CCC(CC)[C@@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000181738182 189305416 /nfs/dbraw/zinc/30/54/16/189305416.db2.gz FOEGFQQZUABHFP-WBMJQRKESA-N 0 3 260.381 3.006 20 30 CGEDHN Cn1cc([C@@H](NCc2cccc(C#N)c2)C(C)(C)C)cn1 ZINC000342348115 216318756 /nfs/dbraw/zinc/31/87/56/216318756.db2.gz XRZGJXFKBANXLZ-MRXNPFEDSA-N 0 3 282.391 3.169 20 30 CGEDHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000183062859 189344880 /nfs/dbraw/zinc/34/48/80/189344880.db2.gz ZVGMCHZPZWXTMZ-MWLCHTKSSA-N 0 3 293.436 3.199 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000302104886 201344878 /nfs/dbraw/zinc/34/48/78/201344878.db2.gz MYUFROUOAILAIR-ZIAGYGMSSA-N 0 3 299.418 3.293 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCCN2CCC(C)CC2)c1 ZINC000302117010 201347720 /nfs/dbraw/zinc/34/77/20/201347720.db2.gz RXHHOPNEIAWCKZ-UHFFFAOYSA-N 0 3 299.418 3.295 20 30 CGEDHN C=CC[C@@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000275363503 193010546 /nfs/dbraw/zinc/01/05/46/193010546.db2.gz TZWFTDFOTUFOPY-MAUKXSAKSA-N 0 3 298.430 3.113 20 30 CGEDHN Cc1ccc(C#N)cc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000275624723 193088740 /nfs/dbraw/zinc/08/87/40/193088740.db2.gz SNCOPZDRQOEQAI-MJBXVCDLSA-N 0 3 285.391 3.067 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)CC[C@H]1C ZINC000121102244 370829362 /nfs/dbraw/zinc/82/93/62/370829362.db2.gz MLRYVILHZVDTAB-QWHCGFSZSA-N 0 3 258.365 3.187 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H](SC)C1 ZINC000121518590 370868548 /nfs/dbraw/zinc/86/85/48/370868548.db2.gz SXEVAXSIGPDWEF-OAHLLOKOSA-N 0 3 290.432 3.284 20 30 CGEDHN Cc1ccnc(NC[C@@H](c2ccc(F)cc2)N(C)C)c1C#N ZINC000343470044 216785891 /nfs/dbraw/zinc/78/58/91/216785891.db2.gz CGGXXQLJPPBHED-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000486798015 243373550 /nfs/dbraw/zinc/37/35/50/243373550.db2.gz FLCQYQHJHUARKM-PBHICJAKSA-N 0 3 299.418 3.397 20 30 CGEDHN CN(CC(=O)Nc1sccc1C#N)C1CCCCCC1 ZINC000014705145 368684518 /nfs/dbraw/zinc/68/45/18/368684518.db2.gz UDNPXEZXEAUHCT-UHFFFAOYSA-N 0 3 291.420 3.213 20 30 CGEDHN C=C(C)COCCNCc1ccc(Br)c(C)c1 ZINC000125803968 370941689 /nfs/dbraw/zinc/94/16/89/370941689.db2.gz CTAQVWGBIQRQFE-UHFFFAOYSA-N 0 3 298.224 3.440 20 30 CGEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2sccc2C#N)C1 ZINC000026469560 368859667 /nfs/dbraw/zinc/85/96/67/368859667.db2.gz QXPWCFRKNABRNX-YPMHNXCESA-N 0 3 291.420 3.069 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000037199129 369075997 /nfs/dbraw/zinc/07/59/97/369075997.db2.gz RIHAZUAWDLVPRG-ZDUSSCGKSA-N 0 3 266.344 3.418 20 30 CGEDHN CCCC[C@@H]1CCC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000492872030 244040624 /nfs/dbraw/zinc/04/06/24/244040624.db2.gz KDGKHNXPVMSEHP-OIISXLGYSA-N 0 3 299.418 3.033 20 30 CGEDHN COc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000042268010 369209170 /nfs/dbraw/zinc/20/91/70/369209170.db2.gz HZDOEZXHNHDPCF-UHFFFAOYSA-N 0 3 266.344 3.199 20 30 CGEDHN CN(Cc1ccccc1)C1CN(c2cccc(F)c2C#N)C1 ZINC000343596757 216840132 /nfs/dbraw/zinc/84/01/32/216840132.db2.gz AIUCZLKNPYKBKW-UHFFFAOYSA-N 0 3 295.361 3.018 20 30 CGEDHN C[C@@H](NCCOc1ccccc1)c1cccc(C#N)c1 ZINC000042894742 369237225 /nfs/dbraw/zinc/23/72/25/369237225.db2.gz KYXLHAVMLZIZBC-CQSZACIVSA-N 0 3 266.344 3.288 20 30 CGEDHN N#Cc1ccc(Cl)cc1NCCN1CCCCC1 ZINC000062785424 369630091 /nfs/dbraw/zinc/63/00/91/369630091.db2.gz HVPZQBGDYBDOME-UHFFFAOYSA-N 0 3 263.772 3.109 20 30 CGEDHN Cc1ccc(C)c(OC2CCN(CCCC#N)CC2)c1 ZINC000064631819 369658523 /nfs/dbraw/zinc/65/85/23/369658523.db2.gz XUUIXMUPKWWNAR-UHFFFAOYSA-N 0 3 272.392 3.450 20 30 CGEDHN CC(C)N(CC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000068448905 369743625 /nfs/dbraw/zinc/74/36/25/369743625.db2.gz WLMNUKXDCUAVHP-UHFFFAOYSA-N 0 3 291.420 3.211 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000076733889 369941080 /nfs/dbraw/zinc/94/10/80/369941080.db2.gz YZMRJHXDEJMQLK-CQSZACIVSA-N 0 3 297.402 3.460 20 30 CGEDHN COc1ccc(CN(C)CCc2cccs2)cc1C#N ZINC000093268159 370114118 /nfs/dbraw/zinc/11/41/18/370114118.db2.gz CVQRLANRCUWLBN-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN C=CCOc1ccc(CN(C)CCCOC)cc1Cl ZINC000092536922 370098277 /nfs/dbraw/zinc/09/82/77/370098277.db2.gz PIHZNGCEJUASFV-UHFFFAOYSA-N 0 3 283.799 3.373 20 30 CGEDHN C=C(Cl)CN(C)CCC1CCN(c2ccncc2)CC1 ZINC000092820878 370104194 /nfs/dbraw/zinc/10/41/94/370104194.db2.gz QARPZBYFPDWFSN-UHFFFAOYSA-N 0 3 293.842 3.372 20 30 CGEDHN C=CC1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000093359232 370117968 /nfs/dbraw/zinc/11/79/68/370117968.db2.gz TYLCOXOEWLZWCJ-UHFFFAOYSA-N 0 3 261.365 3.102 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](COCC)C1 ZINC000093419165 370128032 /nfs/dbraw/zinc/12/80/32/370128032.db2.gz TZVILTZEHJENNQ-MRXNPFEDSA-N 0 3 289.419 3.500 20 30 CGEDHN C[C@H]1CCC[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093509186 370137769 /nfs/dbraw/zinc/13/77/69/370137769.db2.gz UZLYGOLTOFVYBD-KBPBESRZSA-N 0 3 282.391 3.216 20 30 CGEDHN C=C(C)CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000103493281 370331129 /nfs/dbraw/zinc/33/11/29/370331129.db2.gz GPKLEYGJAOSDPW-UHFFFAOYSA-N 0 3 283.375 3.492 20 30 CGEDHN CCCCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000117875246 370601124 /nfs/dbraw/zinc/60/11/24/370601124.db2.gz PWPIANVHBLBOPG-UHFFFAOYSA-N 0 3 260.381 3.197 20 30 CGEDHN C[C@H](C[C@@H](O)c1ccccc1)NCc1ccc(C#N)s1 ZINC000129910736 371005589 /nfs/dbraw/zinc/00/55/89/371005589.db2.gz ZCUDFECQLGLHFD-MLGOLLRUSA-N 0 3 286.400 3.222 20 30 CGEDHN CC[C@@H](O)[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000130349833 371027726 /nfs/dbraw/zinc/02/77/26/371027726.db2.gz NCHLIRLAWQUZHS-DLBZAZTESA-N 0 3 291.822 3.317 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)CC[C@H]1C ZINC000130476986 371037037 /nfs/dbraw/zinc/03/70/37/371037037.db2.gz MGHCWMNKNHNKCE-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN N#CC1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000131979973 371143542 /nfs/dbraw/zinc/14/35/42/371143542.db2.gz SXTUUEHZIVYLNM-INIZCTEOSA-N 0 3 258.340 3.439 20 30 CGEDHN CC1(C)C[C@H](NCC#Cc2ccc(F)cc2)C(C)(C)O1 ZINC000132496831 371179180 /nfs/dbraw/zinc/17/91/80/371179180.db2.gz GYPXPPZYEVBOGD-HNNXBMFYSA-N 0 3 275.367 3.113 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](CCOC)Cc1cccc(F)c1 ZINC000133201646 371235536 /nfs/dbraw/zinc/23/55/36/371235536.db2.gz ISMZUKCRONJOFR-HOTGVXAUSA-N 0 3 278.371 3.055 20 30 CGEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cccc(C#N)c1 ZINC000134228657 371312894 /nfs/dbraw/zinc/31/28/94/371312894.db2.gz RRKKLFOAHVDUOT-IFXJQAMLSA-N 0 3 292.382 3.382 20 30 CGEDHN N#CCCCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134845806 371368417 /nfs/dbraw/zinc/36/84/17/371368417.db2.gz QGLRSYMRZNCIBE-OAHLLOKOSA-N 0 3 274.339 3.167 20 30 CGEDHN N#Cc1ccc(CNCCc2ccccc2F)s1 ZINC000135670324 371442643 /nfs/dbraw/zinc/44/26/43/371442643.db2.gz LHPPIDMFTZMXBF-UHFFFAOYSA-N 0 3 260.337 3.091 20 30 CGEDHN C[C@H](CCNc1nc(Cl)c(C#N)s1)N1CCCCC1 ZINC000286950294 371578966 /nfs/dbraw/zinc/57/89/66/371578966.db2.gz RNMPERZHFWTHLR-SNVBAGLBSA-N 0 3 298.843 3.345 20 30 CGEDHN CC(C)SCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000287059586 371596314 /nfs/dbraw/zinc/59/63/14/371596314.db2.gz NJTVXUCSTCHXNF-NSHDSACASA-N 0 3 266.385 3.490 20 30 CGEDHN C=CCC[C@@H](N[C@H](CO)Cc1ccccc1)c1ccco1 ZINC000287502813 371666169 /nfs/dbraw/zinc/66/61/69/371666169.db2.gz NUHVZIDHPZIXOO-DLBZAZTESA-N 0 3 285.387 3.480 20 30 CGEDHN COc1cccc2c1CC[C@H]2NCc1cccc(C#N)c1 ZINC000151893890 371648494 /nfs/dbraw/zinc/64/84/94/371648494.db2.gz VJFYTFSNDMNBOO-QGZVFWFLSA-N 0 3 278.355 3.344 20 30 CGEDHN Cc1cccc2[nH]c(CNCC(C)(C)CCC#N)nc21 ZINC000153593022 371777212 /nfs/dbraw/zinc/77/72/12/371777212.db2.gz HKDSSTLQSVQMGC-UHFFFAOYSA-N 0 3 270.380 3.291 20 30 CGEDHN CC(C)N1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000154079448 371816907 /nfs/dbraw/zinc/81/69/07/371816907.db2.gz LWMZYEHRHVGDSQ-UHFFFAOYSA-N 0 3 297.324 3.107 20 30 CGEDHN CCC(CC)N(CC)CC(=O)Nc1cccc(C#N)c1 ZINC000344050158 217028915 /nfs/dbraw/zinc/02/89/15/217028915.db2.gz ZTZGFOKKMDUGFH-UHFFFAOYSA-N 0 3 273.380 3.007 20 30 CGEDHN C[C@@]1(CNCc2cccc(C#N)c2)OCCc2sccc21 ZINC000289784260 371821913 /nfs/dbraw/zinc/82/19/13/371821913.db2.gz KTURBZMAHAMULY-KRWDZBQOSA-N 0 3 298.411 3.197 20 30 CGEDHN CC#CCCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000155119633 371908137 /nfs/dbraw/zinc/90/81/37/371908137.db2.gz ZPFLGQXEFPYKLB-UHFFFAOYSA-N 0 3 279.330 3.221 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OCC(=O)OCC)cc1 ZINC000159006790 372099418 /nfs/dbraw/zinc/09/94/18/372099418.db2.gz RQWXGTWJCWOKDV-UHFFFAOYSA-N 0 3 291.391 3.027 20 30 CGEDHN CO[C@](C)(CN[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000291257424 372148335 /nfs/dbraw/zinc/14/83/35/372148335.db2.gz PRQMNIHGRJIRCS-BDJLRTHQSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCC[C@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000159928564 372194200 /nfs/dbraw/zinc/19/42/00/372194200.db2.gz BYEHYSORLVGUGF-QWHCGFSZSA-N 0 3 273.298 3.207 20 30 CGEDHN Cc1ccsc1[C@@H](CO)N[C@H](C)c1cccc(C#N)c1 ZINC000344292855 217135381 /nfs/dbraw/zinc/13/53/81/217135381.db2.gz PYTQLVVONOMLAD-IUODEOHRSA-N 0 3 286.400 3.312 20 30 CGEDHN C=CCN1CC[C@@H](N(C(C)C)[C@@H](C)c2ccccc2)C1=O ZINC000428864308 372272896 /nfs/dbraw/zinc/27/28/96/372272896.db2.gz SVJWNFZQIOEDJE-DOTOQJQBSA-N 0 3 286.419 3.245 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC000429295789 372345640 /nfs/dbraw/zinc/34/56/40/372345640.db2.gz RBMHSYQLLZIXER-HZPDHXFCSA-N 0 3 290.382 3.381 20 30 CGEDHN CCC1(CC)[C@@H](NCc2ccc(F)c(C#N)c2)C[C@@H]1OC ZINC000429303387 372348338 /nfs/dbraw/zinc/34/83/38/372348338.db2.gz BNMSMUMFIPZONJ-HOTGVXAUSA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000293362313 372366456 /nfs/dbraw/zinc/36/64/56/372366456.db2.gz BWXLNCMPDROXQT-GOEBONIOSA-N 0 3 288.435 3.396 20 30 CGEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344370235 217171908 /nfs/dbraw/zinc/17/19/08/217171908.db2.gz QSCHYWHWYCFSJV-CVEARBPZSA-N 0 3 290.382 3.333 20 30 CGEDHN C#CC[C@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000293857539 372502275 /nfs/dbraw/zinc/50/22/75/372502275.db2.gz RQKHVUBCEHLTKT-OALUTQOASA-N 0 3 297.373 3.083 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(F)c(Cl)c1Cl ZINC000432256728 372553651 /nfs/dbraw/zinc/55/36/51/372553651.db2.gz HTIHNOSBTAFJIG-VIFPVBQESA-N 0 3 292.181 3.407 20 30 CGEDHN CC(C)c1nc(CN[C@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433017112 372577870 /nfs/dbraw/zinc/57/78/70/372577870.db2.gz XMNYZJCNQYKZHD-OAHLLOKOSA-N 0 3 297.406 3.453 20 30 CGEDHN Cc1occc1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433304508 372588609 /nfs/dbraw/zinc/58/86/09/372588609.db2.gz KWSNJBQXUOMAJJ-MRXNPFEDSA-N 0 3 296.370 3.319 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433925811 372640971 /nfs/dbraw/zinc/64/09/71/372640971.db2.gz IHQSYVGGZRAFIL-HOCLYGCPSA-N 0 3 293.455 3.047 20 30 CGEDHN CC(C)OCCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000171500434 372775139 /nfs/dbraw/zinc/77/51/39/372775139.db2.gz SSMMOBZJRSNYTC-UHFFFAOYSA-N 0 3 272.392 3.338 20 30 CGEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C1CC(O)C1 ZINC000353487151 220112897 /nfs/dbraw/zinc/11/28/97/220112897.db2.gz MEUGJKUHDODHFQ-UHFFFAOYSA-N 0 3 292.382 3.180 20 30 CGEDHN COc1ccc(CNCCCCC#N)c(OC(F)F)c1 ZINC000172191949 372922773 /nfs/dbraw/zinc/92/27/73/372922773.db2.gz LKJODCKSABQGKS-UHFFFAOYSA-N 0 3 284.306 3.080 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cccc2cccnc21 ZINC000438997415 372971963 /nfs/dbraw/zinc/97/19/63/372971963.db2.gz GUWNFJHRVSTDSC-UHFFFAOYSA-N 0 3 283.419 3.175 20 30 CGEDHN C=CCCC[C@H](C)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000439448039 372978960 /nfs/dbraw/zinc/97/89/60/372978960.db2.gz ZGNGBVUNSQOKKG-ZFWWWQNUSA-N 0 3 270.380 3.229 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000439448039 372978964 /nfs/dbraw/zinc/97/89/64/372978964.db2.gz ZGNGBVUNSQOKKG-ZFWWWQNUSA-N 0 3 270.380 3.229 20 30 CGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439664452 372980817 /nfs/dbraw/zinc/98/08/17/372980817.db2.gz GENCBVZSGHTOHD-INMHGKMJSA-N 0 3 299.418 3.020 20 30 CGEDHN CCOc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000172688711 373014111 /nfs/dbraw/zinc/01/41/11/373014111.db2.gz IFYLZEXPLUFVIW-UHFFFAOYSA-N 0 3 296.370 3.255 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000442657869 373061901 /nfs/dbraw/zinc/06/19/01/373061901.db2.gz WBARFZYCHDBRJU-BPQIPLTHSA-N 0 3 283.419 3.105 20 30 CGEDHN CO[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000296165621 373041106 /nfs/dbraw/zinc/04/11/06/373041106.db2.gz UQYCXHSNLNVOIB-CZUORRHYSA-N 0 3 272.392 3.366 20 30 CGEDHN COc1cc(CN2CCCC[C@H](C)C2)ccc1C#N ZINC000442836871 373100858 /nfs/dbraw/zinc/10/08/58/373100858.db2.gz IVGMIFVTKCWALC-ZDUSSCGKSA-N 0 3 258.365 3.189 20 30 CGEDHN CCCNc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442865810 373109000 /nfs/dbraw/zinc/10/90/00/373109000.db2.gz UVTCXRIQKSDUBY-GOEBONIOSA-N 0 3 257.381 3.290 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173389128 373135109 /nfs/dbraw/zinc/13/51/09/373135109.db2.gz WGCODAKIXBQYIT-NSHDSACASA-N 0 3 266.366 3.165 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OC)C[C@@H]2C)cc1 ZINC000443063162 373148988 /nfs/dbraw/zinc/14/89/88/373148988.db2.gz CSPOSGUAHRLHCW-YOEHRIQHSA-N 0 3 275.392 3.251 20 30 CGEDHN CCC[C@]1(CO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000444771923 373267472 /nfs/dbraw/zinc/26/74/72/373267472.db2.gz SFBAIWLMDHPLPY-QGZVFWFLSA-N 0 3 291.822 3.319 20 30 CGEDHN C[C@@H](NC[C@](C)(O)c1ccccc1)c1cccc(C#N)c1 ZINC000174358373 373299213 /nfs/dbraw/zinc/29/92/13/373299213.db2.gz ALLCUPJHGHCLBB-KDOFPFPSSA-N 0 3 280.371 3.117 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)o1)Cc1cccs1 ZINC000174534121 373333740 /nfs/dbraw/zinc/33/37/40/373333740.db2.gz XYQXSUDWIFYCKX-NSHDSACASA-N 0 3 260.362 3.181 20 30 CGEDHN N#Cc1ccc(CNCCC[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000344960745 217368840 /nfs/dbraw/zinc/36/88/40/217368840.db2.gz DZIDYMLIJQPZML-RHSMWYFYSA-N 0 3 290.382 3.118 20 30 CGEDHN CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)C(C)C#N ZINC000447864057 373510531 /nfs/dbraw/zinc/51/05/31/373510531.db2.gz CLOUXCYDUROTOR-BXUZGUMPSA-N 0 3 262.328 3.141 20 30 CGEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)C1(C)C ZINC000300643529 373637670 /nfs/dbraw/zinc/63/76/70/373637670.db2.gz OIFJLNZNIJMHCW-KGLIPLIRSA-N 0 3 278.783 3.115 20 30 CGEDHN CCS[C@H]1CCC[C@@H]1NCc1cc(C#N)ccc1OC ZINC000300643692 373637862 /nfs/dbraw/zinc/63/78/62/373637862.db2.gz FSNCLBAKURJSHY-HOCLYGCPSA-N 0 3 290.432 3.331 20 30 CGEDHN C=CC[C@@H]1N(Cc2c(C)nnn2CC)CCCC1(C)C ZINC000449281850 373676023 /nfs/dbraw/zinc/67/60/23/373676023.db2.gz FOZNFDYTVPCQQS-HNNXBMFYSA-N 0 3 276.428 3.173 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc3ccccc3nc2C)CC1 ZINC000301155463 373676513 /nfs/dbraw/zinc/67/65/13/373676513.db2.gz CWRDGHDCSBMIOI-UHFFFAOYSA-N 0 3 296.418 3.391 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H](CC)CO)cc1Cl ZINC000449379154 373685149 /nfs/dbraw/zinc/68/51/49/373685149.db2.gz ZRRAFMCVFAPHCY-CYBMUJFWSA-N 0 3 283.799 3.108 20 30 CGEDHN C=CCOc1ccc(CNCc2ccnc(C)c2)cc1OC ZINC000449404329 373685908 /nfs/dbraw/zinc/68/59/08/373685908.db2.gz UPJIDDWWDMJTBC-UHFFFAOYSA-N 0 3 298.386 3.253 20 30 CGEDHN C[C@@H]1[C@@H](C)CCN1Cc1cn2ccccc2c1C#N ZINC000177888724 373722160 /nfs/dbraw/zinc/72/21/60/373722160.db2.gz WBKNJAVYZGHNLK-QWHCGFSZSA-N 0 3 253.349 3.041 20 30 CGEDHN N#Cc1cccc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000301292161 373732838 /nfs/dbraw/zinc/73/28/38/373732838.db2.gz VFPRFYVKEMCRDR-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(F)(F)F)s1 ZINC000449516426 373816691 /nfs/dbraw/zinc/81/66/91/373816691.db2.gz ATKGGBJODBEOSH-ZJUUUORDSA-N 0 3 277.311 3.200 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)oc2ccccc21 ZINC000449517712 373818581 /nfs/dbraw/zinc/81/85/81/373818581.db2.gz GZSRUEOZBLJLMN-CABCVRRESA-N 0 3 257.333 3.174 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000179775017 373915647 /nfs/dbraw/zinc/91/56/47/373915647.db2.gz QWTJVNYEMHUYNO-HUUCEWRRSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(C(C)C)CC2)CCCC1 ZINC000449835273 373939583 /nfs/dbraw/zinc/93/95/83/373939583.db2.gz OGWYPOSDPRDMOH-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CCC[C@@H]1CN(CCCC#N)CCN1Cc1ccccc1 ZINC000180274067 373987447 /nfs/dbraw/zinc/98/74/47/373987447.db2.gz IUAUGXSDIJXVEM-GOSISDBHSA-N 0 3 285.435 3.277 20 30 CGEDHN CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)O ZINC000304782759 374059030 /nfs/dbraw/zinc/05/90/30/374059030.db2.gz GWFKGIBNZAGZJA-ZDUSSCGKSA-N 0 3 299.336 3.148 20 30 CGEDHN CC(C)C[C@H](CCO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305838377 374118933 /nfs/dbraw/zinc/11/89/33/374118933.db2.gz XWKRTVMTACQWSP-HIFRSBDPSA-N 0 3 292.398 3.393 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000305762075 374106898 /nfs/dbraw/zinc/10/68/98/374106898.db2.gz FFZLFZKBEOKUDH-OCCSQVGLSA-N 0 3 251.345 3.112 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)CCCCC1 ZINC000450790524 374179359 /nfs/dbraw/zinc/17/93/59/374179359.db2.gz HJVBZJKLGYOLSU-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cc1 ZINC000182031528 374207773 /nfs/dbraw/zinc/20/77/73/374207773.db2.gz GBZBLDNQESGUGD-LJQANCHMSA-N 0 3 294.398 3.248 20 30 CGEDHN Cc1nc(NCCN2CCCCCC2)c(Cl)cc1C#N ZINC000312954885 374296633 /nfs/dbraw/zinc/29/66/33/374296633.db2.gz SIRCZPKBBRCWBD-UHFFFAOYSA-N 0 3 292.814 3.203 20 30 CGEDHN CC[C@H](C)CN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182777365 374324984 /nfs/dbraw/zinc/32/49/84/374324984.db2.gz XYAZHMONWDIYGW-WMLDXEAASA-N 0 3 299.418 3.032 20 30 CGEDHN N#C[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C1CCCCC1 ZINC000329864238 374435474 /nfs/dbraw/zinc/43/54/74/374435474.db2.gz ZNRFPFVVWNMXLS-JKSUJKDBSA-N 0 3 289.423 3.290 20 30 CGEDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc2[nH]cnc2c1 ZINC000329840743 374436123 /nfs/dbraw/zinc/43/61/23/374436123.db2.gz JUMASVXWQBWKFQ-QWRGUYRKSA-N 0 3 272.352 3.024 20 30 CGEDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329840743 374436130 /nfs/dbraw/zinc/43/61/30/374436130.db2.gz JUMASVXWQBWKFQ-QWRGUYRKSA-N 0 3 272.352 3.024 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccncc1 ZINC000453385144 374470960 /nfs/dbraw/zinc/47/09/60/374470960.db2.gz NZESNWCRAWIYTL-MRXNPFEDSA-N 0 3 269.323 3.333 20 30 CGEDHN C[C@@H]1CCN(C([O-])=[NH+]CCC(C)(C)C)C[C@H]1n1ccnc1 ZINC000330996387 374496438 /nfs/dbraw/zinc/49/64/38/374496438.db2.gz ZZURGVGSPBBMOQ-ZIAGYGMSSA-N 0 3 292.427 3.116 20 30 CGEDHN CC/C=C/CCN(CCOC)Cc1ccc(C#N)cc1 ZINC000184483955 374529759 /nfs/dbraw/zinc/52/97/59/374529759.db2.gz PGDCGGAZWOATTI-SNAWJCMRSA-N 0 3 272.392 3.363 20 30 CGEDHN CC[C@@H]1CC[C@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332105416 374554012 /nfs/dbraw/zinc/55/40/12/374554012.db2.gz HQELWPCVDDHPBB-SWLSCSKDSA-N 0 3 296.374 3.371 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184914336 374570931 /nfs/dbraw/zinc/57/09/31/374570931.db2.gz FRHCYBGGEQMPOE-HOCLYGCPSA-N 0 3 274.408 3.008 20 30 CGEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000332653702 374585316 /nfs/dbraw/zinc/58/53/16/374585316.db2.gz MCNPZMTTYDEBJY-UHFFFAOYSA-N 0 3 296.374 3.373 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000185208413 374611499 /nfs/dbraw/zinc/61/14/99/374611499.db2.gz TZLXJJABGMLFAB-AWEZNQCLSA-N 0 3 290.407 3.168 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000334225324 206218463 /nfs/dbraw/zinc/21/84/63/206218463.db2.gz YKHHTBOTIBUHNN-ZDUSSCGKSA-N 0 3 250.292 3.226 20 30 CGEDHN CC#CCCCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000185562759 374688065 /nfs/dbraw/zinc/68/80/65/374688065.db2.gz UDNYGIQKMRSSPN-UHFFFAOYSA-N 0 3 272.392 3.189 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](c1ccccc1)N(C)C ZINC000185673416 374709326 /nfs/dbraw/zinc/70/93/26/374709326.db2.gz FBEUUWMIYGDMGU-CXAGYDPISA-N 0 3 299.443 3.401 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2C2CCOCC2)c1 ZINC000334458233 374767526 /nfs/dbraw/zinc/76/75/26/374767526.db2.gz QUPDIRXFXOPPTN-KRWDZBQOSA-N 0 3 288.366 3.088 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000468934369 374985113 /nfs/dbraw/zinc/98/51/13/374985113.db2.gz LXXXOSJBJSJROX-IYBDPMFKSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2(CCC)CCC2)CC1 ZINC000469182258 374986530 /nfs/dbraw/zinc/98/65/30/374986530.db2.gz NHZZVHJTXIMXGY-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000469624205 374990149 /nfs/dbraw/zinc/99/01/49/374990149.db2.gz YVYDBVMQXXPFBR-GZZJDILISA-N 0 3 276.767 3.313 20 30 CGEDHN C=CCN(C[C@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000470777495 374999054 /nfs/dbraw/zinc/99/90/54/374999054.db2.gz WVHKGINXADJHCY-LJQANCHMSA-N 0 3 281.399 3.394 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC000475413106 375133954 /nfs/dbraw/zinc/13/39/54/375133954.db2.gz BLDBSCTZCIFSBB-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(C)c(Br)c1 ZINC000483421810 375179312 /nfs/dbraw/zinc/17/93/12/375179312.db2.gz VJWDGSVXVPBDTP-UHFFFAOYSA-N 0 3 298.224 3.392 20 30 CGEDHN C=CCCCCCN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483349265 375179678 /nfs/dbraw/zinc/17/96/78/375179678.db2.gz CVJRHWLGICIOQR-KRWDZBQOSA-N 0 3 281.440 3.393 20 30 CGEDHN C=CCN(CCCc1ccccc1Cl)CCOC ZINC000484584995 375189470 /nfs/dbraw/zinc/18/94/70/375189470.db2.gz PNORYNFUDBPSDI-UHFFFAOYSA-N 0 3 267.800 3.407 20 30 CGEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000335188888 375210931 /nfs/dbraw/zinc/21/09/31/375210931.db2.gz DQHDCHWBCWCVBO-QMMMGPOBSA-N 0 3 283.158 3.258 20 30 CGEDHN CN(Cc1ccc(F)c(F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000335331979 375263076 /nfs/dbraw/zinc/26/30/76/375263076.db2.gz NVHAHRFNRKPLIZ-CMPLNLGQSA-N 0 3 250.292 3.089 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000335365971 375265777 /nfs/dbraw/zinc/26/57/77/375265777.db2.gz CXFDZNXQILOUBI-SMDDNHRTSA-N 0 3 256.349 3.075 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2csc(Cl)c2)CC1 ZINC000189254910 375350767 /nfs/dbraw/zinc/35/07/67/375350767.db2.gz PYLQBUNJTSKYFE-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@]3(CCCOC3)C2)cc1F ZINC000335787828 375430835 /nfs/dbraw/zinc/43/08/35/375430835.db2.gz BHNUBZKZNNVPAG-QGZVFWFLSA-N 0 3 288.366 3.090 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@H]1CCSC1 ZINC000494924367 375496196 /nfs/dbraw/zinc/49/61/96/375496196.db2.gz PXSZHHFKHYQDFX-CQSZACIVSA-N 0 3 254.443 3.391 20 30 CGEDHN C[C@H]1N(Cc2cc(C#N)cs2)CCC12CCOCC2 ZINC000336009105 375612684 /nfs/dbraw/zinc/61/26/84/375612684.db2.gz ATCDPFFBBXKSBH-GFCCVEGCSA-N 0 3 276.405 3.011 20 30 CGEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1ccc(C#N)cc1 ZINC000191233145 375599316 /nfs/dbraw/zinc/59/93/16/375599316.db2.gz RHEABLGXZFYKAP-UHFFFAOYSA-N 0 3 292.386 3.179 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000498939480 375628944 /nfs/dbraw/zinc/62/89/44/375628944.db2.gz VPRAMVWAJSTOBV-HUUCEWRRSA-N 0 3 290.838 3.106 20 30 CGEDHN C=CCN1CC[C@@H](NC2(c3cccc(C)c3)CCCC2)C1=O ZINC000499517356 375631519 /nfs/dbraw/zinc/63/15/19/375631519.db2.gz IVEBOWIMAOTTKT-QGZVFWFLSA-N 0 3 298.430 3.141 20 30 CGEDHN CC[C@H]1Cc2ccccc2CN1Cc1cc(C#N)n(C)c1 ZINC000191501620 375635435 /nfs/dbraw/zinc/63/54/35/375635435.db2.gz SMWFPDQSNGHGBQ-KRWDZBQOSA-N 0 3 279.387 3.234 20 30 CGEDHN CCC1(CC)CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191516499 375637632 /nfs/dbraw/zinc/63/76/32/375637632.db2.gz QEZHTBKBBPFTCS-UHFFFAOYSA-N 0 3 259.397 3.299 20 30 CGEDHN N#CCC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000336263726 375766918 /nfs/dbraw/zinc/76/69/18/375766918.db2.gz HVQGKPDLRZXKNY-MRXNPFEDSA-N 0 3 258.340 3.439 20 30 CGEDHN C[C@H](CCc1ccccc1)N1CCC(F)(C#N)CC1 ZINC000510949297 375787788 /nfs/dbraw/zinc/78/77/88/375787788.db2.gz ILLYXMUHRZGNGF-CQSZACIVSA-N 0 3 260.356 3.335 20 30 CGEDHN CCOc1ccc2c(c1)CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000336625673 375885520 /nfs/dbraw/zinc/88/55/20/375885520.db2.gz SCHQTFMVULIBOR-CZUORRHYSA-N 0 3 270.376 3.136 20 30 CGEDHN CCCN(CC#Cc1cccc(Cl)c1)CC(C)(C)O ZINC000532606957 375952364 /nfs/dbraw/zinc/95/23/64/375952364.db2.gz QGEKHUSQBHEASN-UHFFFAOYSA-N 0 3 279.811 3.174 20 30 CGEDHN N#Cc1cccc(OC2CCN(C[C@@H]3CCC=CO3)CC2)c1 ZINC000193766307 375920738 /nfs/dbraw/zinc/92/07/38/375920738.db2.gz DANPMQTUOQQWSL-SFHVURJKSA-N 0 3 298.386 3.094 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000529947124 375936763 /nfs/dbraw/zinc/93/67/63/375936763.db2.gz IQCBXYPGEIALOL-RISCZKNCSA-N 0 3 274.339 3.080 20 30 CGEDHN CCC[C@]1(COC)CCCN1Cc1ccc(C#N)s1 ZINC000195198599 376088604 /nfs/dbraw/zinc/08/86/04/376088604.db2.gz JMTBNKMASNRUSN-OAHLLOKOSA-N 0 3 278.421 3.401 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2cc(C)ccc2C)C1=O ZINC000337155886 376103239 /nfs/dbraw/zinc/10/32/39/376103239.db2.gz OIIRXYWWRYYEJO-QZTJIDSGSA-N 0 3 298.430 3.227 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@H](c2ccccc2)C(C)C)C1=O ZINC000337171801 376113025 /nfs/dbraw/zinc/11/30/25/376113025.db2.gz GBQWFQWNAQWEJO-IRXDYDNUSA-N 0 3 286.419 3.102 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)COC(C)C ZINC000337345466 376214507 /nfs/dbraw/zinc/21/45/07/376214507.db2.gz VDBQVHGMIRHCBK-CQSZACIVSA-N 0 3 263.381 3.155 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1OC)CC1CC1 ZINC000337467581 376222993 /nfs/dbraw/zinc/22/29/93/376222993.db2.gz UNNOGCXJBNIWCE-UHFFFAOYSA-N 0 3 261.365 3.102 20 30 CGEDHN C=CCCc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000337498135 376225936 /nfs/dbraw/zinc/22/59/36/376225936.db2.gz AEJZDXSTBLKKSX-UHFFFAOYSA-N 0 3 272.392 3.086 20 30 CGEDHN C=CCCN1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000338539356 376415645 /nfs/dbraw/zinc/41/56/45/376415645.db2.gz GAOKTVIODNWFCQ-HNNXBMFYSA-N 0 3 281.403 3.321 20 30 CGEDHN C=CCCN(C)Cc1cc(Br)ccc1OC ZINC000338547640 376422608 /nfs/dbraw/zinc/42/26/08/376422608.db2.gz YGKYCCPVFDOKER-UHFFFAOYSA-N 0 3 284.197 3.466 20 30 CGEDHN CC(C)[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000232314254 376579461 /nfs/dbraw/zinc/57/94/61/376579461.db2.gz PZXFXJWAGNPNML-QGZVFWFLSA-N 0 3 267.376 3.384 20 30 CGEDHN COc1cc(CN(C)[C@@H](C)CCSC)ccc1C#N ZINC000234802470 376619369 /nfs/dbraw/zinc/61/93/69/376619369.db2.gz QIXVHKICRKOFOT-LBPRGKRZSA-N 0 3 278.421 3.140 20 30 CGEDHN COc1cc(CNCc2cccc(C)c2)ccc1C#N ZINC000234927848 376625301 /nfs/dbraw/zinc/62/53/01/376625301.db2.gz UKHFXBPSBDKDCP-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN C=CCOCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000339175046 376726380 /nfs/dbraw/zinc/72/63/80/376726380.db2.gz XRHBNCHISVCOBD-GFCCVEGCSA-N 0 3 277.330 3.244 20 30 CGEDHN C=CCOCCN(C)Cc1cccc2ccccc21 ZINC000555315353 376856386 /nfs/dbraw/zinc/85/63/86/376856386.db2.gz DAPXKBUVULKCBF-UHFFFAOYSA-N 0 3 255.361 3.474 20 30 CGEDHN CC#CCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000555685128 376857685 /nfs/dbraw/zinc/85/76/85/376857685.db2.gz BCGDKWRXDAWLDG-OAHLLOKOSA-N 0 3 263.768 3.207 20 30 CGEDHN CN1CCN(CC(C)(C)CCC#N)[C@H](c2ccccc2)C1 ZINC000246183655 376982981 /nfs/dbraw/zinc/98/29/81/376982981.db2.gz HFTDUFZABBKWRV-KRWDZBQOSA-N 0 3 285.435 3.305 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1cccc(C#N)c1 ZINC000340451639 377068103 /nfs/dbraw/zinc/06/81/03/377068103.db2.gz SZYYZJJCRSHJSI-NEPJUHHUSA-N 0 3 267.332 3.071 20 30 CGEDHN C=C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000248028266 377258121 /nfs/dbraw/zinc/25/81/21/377258121.db2.gz JVEDOSVZSSKMCT-NXHRZFHOSA-N 0 3 298.430 3.041 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000248933963 377430351 /nfs/dbraw/zinc/43/03/51/377430351.db2.gz YCSLUQSDIMJJDC-SCRDCRAPSA-N 0 3 272.348 3.148 20 30 CGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(C#N)c1 ZINC000563770192 377472306 /nfs/dbraw/zinc/47/23/06/377472306.db2.gz MHHWMWREHFESMC-AWEZNQCLSA-N 0 3 275.355 3.475 20 30 CGEDHN CN1CCN(Cc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000566426295 377497135 /nfs/dbraw/zinc/49/71/35/377497135.db2.gz BTEGWUAUOMMEQG-UHFFFAOYSA-N 0 3 297.446 3.203 20 30 CGEDHN Cc1ccccc1CCNCc1ccc(C#N)cc1F ZINC000094183366 249039127 /nfs/dbraw/zinc/03/91/27/249039127.db2.gz GXDPAUMYQQFDJF-UHFFFAOYSA-N 0 3 268.335 3.338 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@H]1CCCC[C@@H]1O ZINC000567990315 377511435 /nfs/dbraw/zinc/51/14/35/377511435.db2.gz SLKPHBFGVJPPGN-CVEARBPZSA-N 0 3 266.429 3.189 20 30 CGEDHN N#CC1(CNC2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000571955362 377544150 /nfs/dbraw/zinc/54/41/50/377544150.db2.gz PJONPXWSFXZOQL-UHFFFAOYSA-N 0 3 270.376 3.312 20 30 CGEDHN C=CC(C)(C)CNCc1cc(OC)c(OC)cc1F ZINC000572607963 377548755 /nfs/dbraw/zinc/54/87/55/377548755.db2.gz OGLQRDNDZZTVFW-UHFFFAOYSA-N 0 3 267.344 3.145 20 30 CGEDHN COc1ccc2c(c1)CCC[C@H]2CNC[C@H](C#N)CCC#N ZINC000573298079 377556247 /nfs/dbraw/zinc/55/62/47/377556247.db2.gz XWUOXKBMPLHGEH-HOCLYGCPSA-N 0 3 297.402 3.148 20 30 CGEDHN Cc1cc(C)nc(NCc2ccc(C#N)c(C)c2)c1 ZINC000443984812 249137431 /nfs/dbraw/zinc/13/74/31/249137431.db2.gz GIFOTRHWHBIDRP-UHFFFAOYSA-N 0 3 251.333 3.491 20 30 CGEDHN N#Cc1cccc(CCNCc2ccccc2F)c1 ZINC000341487550 377590206 /nfs/dbraw/zinc/59/02/06/377590206.db2.gz OLKNTWUSWCSGGJ-UHFFFAOYSA-N 0 3 254.308 3.030 20 30 CGEDHN C=CCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000342728577 377759923 /nfs/dbraw/zinc/75/99/23/377759923.db2.gz IFZVTBAFKBZBGJ-UHFFFAOYSA-N 0 3 266.291 3.168 20 30 CGEDHN CCN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000343269401 377943812 /nfs/dbraw/zinc/94/38/12/377943812.db2.gz YINDSIJNNMWZFU-NSHDSACASA-N 0 3 297.324 3.107 20 30 CGEDHN CC(C)(C#N)CCN(CCCO)[C@H]1CCc2ccccc21 ZINC000266021616 378013953 /nfs/dbraw/zinc/01/39/53/378013953.db2.gz PVTNHUZPEWULEB-KRWDZBQOSA-N 0 3 286.419 3.298 20 30 CGEDHN CCC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264591766 377989784 /nfs/dbraw/zinc/98/97/84/377989784.db2.gz YZARJVIEYXCXTL-UHFFFAOYSA-N 0 3 258.365 3.211 20 30 CGEDHN C[C@@H](COc1cccc(F)c1)NCc1cc(C#N)cs1 ZINC000343636457 378049092 /nfs/dbraw/zinc/04/90/92/378049092.db2.gz IQBNCEPFQGIFSS-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](CC)CC1 ZINC000343911919 378132228 /nfs/dbraw/zinc/13/22/28/378132228.db2.gz FGALOPCJKOGQBP-CVEARBPZSA-N 0 3 278.440 3.088 20 30 CGEDHN Cc1ccccc1[C@H]([C@H](C)Nc1ncccc1C#N)N(C)C ZINC000343818298 378103015 /nfs/dbraw/zinc/10/30/15/378103015.db2.gz ZWGHAHIBXORPPT-YOEHRIQHSA-N 0 3 294.402 3.365 20 30 CGEDHN C=C(CNCc1cnc2c(C)cccn12)c1ccccc1 ZINC000343822636 378103575 /nfs/dbraw/zinc/10/35/75/378103575.db2.gz ZCVYJCIEXVRPLZ-UHFFFAOYSA-N 0 3 277.371 3.446 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CO[C@H](C)C2)cc1Cl ZINC000579352828 378152727 /nfs/dbraw/zinc/15/27/27/378152727.db2.gz MTZSLJVQGOKAIV-DGCLKSJQSA-N 0 3 281.783 3.172 20 30 CGEDHN Cc1cc(C)c2ncc(C#N)c(NC3CCN(C)CC3)c2c1 ZINC000269382273 378215476 /nfs/dbraw/zinc/21/54/76/378215476.db2.gz SKYGBGUGOIDXTP-UHFFFAOYSA-N 0 3 294.402 3.229 20 30 CGEDHN C=C(CC)CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344154252 378161768 /nfs/dbraw/zinc/16/17/68/378161768.db2.gz IOOOPISFVLPZLY-QGZVFWFLSA-N 0 3 277.383 3.019 20 30 CGEDHN C[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000581432376 378278915 /nfs/dbraw/zinc/27/89/15/378278915.db2.gz UQJHPAZZEGQBAK-GFCCVEGCSA-N 0 3 273.336 3.088 20 30 CGEDHN CC(C)[C@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000582210507 378292462 /nfs/dbraw/zinc/29/24/62/378292462.db2.gz TYLSYPOZXZCBKS-RYUDHWBXSA-N 0 3 263.410 3.319 20 30 CGEDHN Cc1ccncc1[C@H](C)NCCCOc1cccc(C#N)c1 ZINC000611939782 378406205 /nfs/dbraw/zinc/40/62/05/378406205.db2.gz OJSVIFAINHHGLE-HNNXBMFYSA-N 0 3 295.386 3.381 20 30 CGEDHN CC(C#N)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000345817307 378377005 /nfs/dbraw/zinc/37/70/05/378377005.db2.gz XUBJEGZBIOAEDE-BDAKNGLRSA-N 0 3 285.174 3.373 20 30 CGEDHN C#CCCCN(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000271077756 378448988 /nfs/dbraw/zinc/44/89/88/378448988.db2.gz XHKFPGWMNCJTHM-KRWDZBQOSA-N 0 3 287.403 3.090 20 30 CGEDHN C[C@@H](NCc1cccc(CO)c1)c1ccc(C#N)c(F)c1 ZINC000346199954 378502365 /nfs/dbraw/zinc/50/23/65/378502365.db2.gz QMVGJBSBWSREND-GFCCVEGCSA-N 0 3 284.334 3.040 20 30 CGEDHN C[C@H](CN1CCCCC1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271967878 378533173 /nfs/dbraw/zinc/53/31/73/378533173.db2.gz VZJFGPQZAMJJAV-ZIAGYGMSSA-N 0 3 289.398 3.222 20 30 CGEDHN C=CCNC(=O)[C@H](C)N1CCCC2(CCCCC2)CC1 ZINC000346634672 378654696 /nfs/dbraw/zinc/65/46/96/378654696.db2.gz GEXVDNFIHXNWAD-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C[C@H](CC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000272677151 378687818 /nfs/dbraw/zinc/68/78/18/378687818.db2.gz KDBBPNARJWHXGS-JKSUJKDBSA-N 0 3 298.430 3.113 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000274218414 378793880 /nfs/dbraw/zinc/79/38/80/378793880.db2.gz NBFDRUCXSNABCD-ZIAGYGMSSA-N 0 3 278.421 3.301 20 30 CGEDHN C=CCOCCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000348029064 378758447 /nfs/dbraw/zinc/75/84/47/378758447.db2.gz GTYCXMBLUPVQDY-CQSZACIVSA-N 0 3 293.432 3.378 20 30 CGEDHN C=C(C)CN(CCC(=O)OCC)Cc1ccccc1 ZINC000348251162 378863983 /nfs/dbraw/zinc/86/39/83/378863983.db2.gz ZKAVEBFZHDOBDK-UHFFFAOYSA-N 0 3 261.365 3.018 20 30 CGEDHN C=C(C)[C@H](NCCc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000274866312 378909092 /nfs/dbraw/zinc/90/90/92/378909092.db2.gz JIQZZZCGJUWTDG-INIZCTEOSA-N 0 3 291.345 3.148 20 30 CGEDHN C=C(C)CCN[C@@H](CO)c1cccc(Br)c1 ZINC000274863065 378909790 /nfs/dbraw/zinc/90/97/90/378909790.db2.gz UYUFYAGFSFZCOJ-ZDUSSCGKSA-N 0 3 284.197 3.038 20 30 CGEDHN C=C(C)[C@H](NCCC(C)(C)O)c1ccc(F)c(F)c1 ZINC000274880932 378913528 /nfs/dbraw/zinc/91/35/28/378913528.db2.gz NCBURZOQOCGTTI-AWEZNQCLSA-N 0 3 269.335 3.333 20 30 CGEDHN FC(F)(F)c1ccc(C#CCNCCC[C@H]2CCO2)cc1 ZINC000638903041 378949198 /nfs/dbraw/zinc/94/91/98/378949198.db2.gz SKOKQHSGDIAXQQ-HNNXBMFYSA-N 0 3 297.320 3.216 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccncc2)C1 ZINC000347088705 218117277 /nfs/dbraw/zinc/11/72/77/218117277.db2.gz ODYWADLISQAGBM-KDOFPFPSSA-N 0 3 293.370 3.168 20 30 CGEDHN N#Cc1nc(NC[C@H]2CCCCN2C2CC2)ccc1Cl ZINC000277548417 379185080 /nfs/dbraw/zinc/18/50/80/379185080.db2.gz XLNXUECBBYQJGO-GFCCVEGCSA-N 0 3 290.798 3.035 20 30 CGEDHN CCCCOCCN[C@H](CC)c1ccc(C#N)cc1 ZINC000278841628 194179421 /nfs/dbraw/zinc/17/94/21/194179421.db2.gz UUUVCIMBZSYKMJ-MRXNPFEDSA-N 0 3 260.381 3.416 20 30 CGEDHN C[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@@H]1C ZINC000347588833 218283319 /nfs/dbraw/zinc/28/33/19/218283319.db2.gz XDWGWAFZVVWLKB-KBPBESRZSA-N 0 3 267.376 3.289 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OC(F)F)cc2)C1 ZINC000349792974 379388013 /nfs/dbraw/zinc/38/80/13/379388013.db2.gz UQEKRYOCSCTAAA-NWDGAFQWSA-N 0 3 266.291 3.070 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000349806413 379392452 /nfs/dbraw/zinc/39/24/52/379392452.db2.gz YXUKGOSWDVOUKX-GWCFXTLKSA-N 0 3 268.282 3.487 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000349758150 379370198 /nfs/dbraw/zinc/37/01/98/379370198.db2.gz MERAYVINKPEHRU-CHWSQXEVSA-N 0 3 289.375 3.337 20 30 CGEDHN CC(C)Oc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349820401 379402146 /nfs/dbraw/zinc/40/21/46/379402146.db2.gz GDVYROCMALFSPM-UKRRQHHQSA-N 0 3 258.365 3.256 20 30 CGEDHN C=C(CNCc1ccnn1C(C)C)c1ccccc1 ZINC000279540540 379455618 /nfs/dbraw/zinc/45/56/18/379455618.db2.gz AJQRKJIPMAVCST-UHFFFAOYSA-N 0 3 255.365 3.267 20 30 CGEDHN C[C@@H](CC1CCOCC1)CN(CCC#N)CC1CC1 ZINC000350004130 379476184 /nfs/dbraw/zinc/47/61/84/379476184.db2.gz BJJSRPXGLZJOQI-AWEZNQCLSA-N 0 3 264.413 3.065 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](Cc3ccncc3)C2)ccc1F ZINC000376371732 379544334 /nfs/dbraw/zinc/54/43/34/379544334.db2.gz VVTMJDHOMFMLOY-MRXNPFEDSA-N 0 3 295.361 3.157 20 30 CGEDHN Cc1ccncc1CNCCSCc1ccccc1C#N ZINC000279785622 379516264 /nfs/dbraw/zinc/51/62/64/379516264.db2.gz CJVMROQPADUGMW-UHFFFAOYSA-N 0 3 297.427 3.285 20 30 CGEDHN C=CCCCN[C@H](C)c1ccc(Br)cn1 ZINC000280003250 379576051 /nfs/dbraw/zinc/57/60/51/379576051.db2.gz GBBRFMHQMGKMDI-SNVBAGLBSA-N 0 3 269.186 3.461 20 30 CGEDHN C=CCCOCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280218812 379645234 /nfs/dbraw/zinc/64/52/34/379645234.db2.gz UOQDRUOPAGRLJM-OAHLLOKOSA-N 0 3 263.381 3.334 20 30 CGEDHN C#CCCCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000280150770 379622584 /nfs/dbraw/zinc/62/25/84/379622584.db2.gz RMDBBVDKTSQDRO-GOSISDBHSA-N 0 3 264.372 3.482 20 30 CGEDHN C=CCC[C@H](O)CN(Cc1ccccc1F)C(C)C ZINC000351638605 379733353 /nfs/dbraw/zinc/73/33/53/379733353.db2.gz MJJGYQVYEGNJPY-HNNXBMFYSA-N 0 3 265.372 3.363 20 30 CGEDHN C=CC[C@@H](CC)N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000280966492 379811254 /nfs/dbraw/zinc/81/12/54/379811254.db2.gz HLOCGULBOFLPCO-GDBMZVCRSA-N 0 3 290.382 3.090 20 30 CGEDHN CCCC[C@@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000352821227 379980524 /nfs/dbraw/zinc/98/05/24/379980524.db2.gz GVTFTRIIDKKBIB-YPMHNXCESA-N 0 3 263.410 3.463 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399681521 379943600 /nfs/dbraw/zinc/94/36/00/379943600.db2.gz RJHFKZONOYXHKO-AVGNSLFASA-N 0 3 258.365 3.043 20 30 CGEDHN COC(=O)CCC[C@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000352882285 380017797 /nfs/dbraw/zinc/01/77/97/380017797.db2.gz HCFZIKNJALRYFU-ZIAGYGMSSA-N 0 3 280.412 3.028 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](COC(F)F)C1 ZINC000353023950 380079487 /nfs/dbraw/zinc/07/94/87/380079487.db2.gz GMTMITCEHXAWNQ-WCQYABFASA-N 0 3 280.318 3.180 20 30 CGEDHN CCC1(O)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411301272 380138771 /nfs/dbraw/zinc/13/87/71/380138771.db2.gz XHSAGHGSWPFKRZ-UHFFFAOYSA-N 0 3 264.413 3.087 20 30 CGEDHN N#CC1(CCN2CC[C@@H](Oc3ccncc3)C2)CCCCC1 ZINC000411326626 380142973 /nfs/dbraw/zinc/14/29/73/380142973.db2.gz PYURYDMAGACHME-QGZVFWFLSA-N 0 3 299.418 3.399 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc2n[nH]cc2c1 ZINC000353112301 380120333 /nfs/dbraw/zinc/12/03/33/380120333.db2.gz QOYLUPDBIRUBHY-SNVBAGLBSA-N 0 3 282.372 3.347 20 30 CGEDHN N#CC1(CCN2CCN(C3CCCC3)CC2)CCCCC1 ZINC000411163536 380132248 /nfs/dbraw/zinc/13/22/48/380132248.db2.gz NYACREGGFNMVKR-UHFFFAOYSA-N 0 3 289.467 3.411 20 30 CGEDHN CN(CCC1(C#N)CCCCC1)C[C@@H]1CCCCO1 ZINC000411192168 380134376 /nfs/dbraw/zinc/13/43/76/380134376.db2.gz QPRUCWXUPPAASZ-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](CCO)c1ccccc1)CC2 ZINC000353250139 380189161 /nfs/dbraw/zinc/18/91/61/380189161.db2.gz FFPSQBAYVXNVCQ-RTBURBONSA-N 0 3 292.382 3.259 20 30 CGEDHN CSCc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000353948552 380251265 /nfs/dbraw/zinc/25/12/65/380251265.db2.gz VOWVKIWSIMWBMG-GJZGRUSLSA-N 0 3 260.406 3.331 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCC[C@H](CO)C1)c1ccco1 ZINC000414338169 380215166 /nfs/dbraw/zinc/21/51/66/380215166.db2.gz LJXDEBHMFAAGKQ-ZNMIVQPWSA-N 0 3 263.381 3.428 20 30 CGEDHN COc1cc(CN[C@@H]2CCc3ccc(F)cc32)ccc1C#N ZINC000353652474 380216232 /nfs/dbraw/zinc/21/62/32/380216232.db2.gz AFCNRRLPWDEDAN-QGZVFWFLSA-N 0 3 296.345 3.483 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1cn(C(C)(C)C)nn1 ZINC000414528067 380299971 /nfs/dbraw/zinc/29/99/71/380299971.db2.gz ABTOFJFGHNLSRT-INIZCTEOSA-N 0 3 298.434 3.310 20 30 CGEDHN CC#CCCNCc1ccc(-c2ccncc2)cc1F ZINC000354177848 380355293 /nfs/dbraw/zinc/35/52/93/380355293.db2.gz IOEAYPOSMACWKK-UHFFFAOYSA-N 0 3 268.335 3.391 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccccc1OC(C)C ZINC000645107688 380584320 /nfs/dbraw/zinc/58/43/20/380584320.db2.gz RHSRAUAIUBOJFP-CQSZACIVSA-N 0 3 263.381 3.327 20 30 CGEDHN COC(C)(C)[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000645425023 380677515 /nfs/dbraw/zinc/67/75/15/380677515.db2.gz GFOXVMBJDJAQFK-GFCCVEGCSA-N 0 3 299.336 3.460 20 30 CGEDHN CCn1cncc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000418064573 380699256 /nfs/dbraw/zinc/69/92/56/380699256.db2.gz JNTJECXEDNTODZ-KRWDZBQOSA-N 0 3 282.391 3.428 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)s1 ZINC000334746372 207004543 /nfs/dbraw/zinc/00/45/43/207004543.db2.gz GXJTYWYXGNMWRG-CQSZACIVSA-N 0 3 278.446 3.339 20 30 CGEDHN C=CCC[C@H](O)CNC1(c2cccc(F)c2)CCC1 ZINC000646003185 380796656 /nfs/dbraw/zinc/79/66/56/380796656.db2.gz VWFKWFYNWAANDR-HNNXBMFYSA-N 0 3 263.356 3.122 20 30 CGEDHN C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)[C@H]1C ZINC000419371943 380817900 /nfs/dbraw/zinc/81/79/00/380817900.db2.gz LSROQVLTGXQFNC-AGIUHOORSA-N 0 3 296.374 3.085 20 30 CGEDHN CC#CCN(CCCC)[C@H]1CCc2ncsc2C1 ZINC000646129958 380847132 /nfs/dbraw/zinc/84/71/32/380847132.db2.gz XVVFTYHVTZGJPY-ZDUSSCGKSA-N 0 3 262.422 3.126 20 30 CGEDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCC(C)(C)C#N ZINC000420929274 380861767 /nfs/dbraw/zinc/86/17/67/380861767.db2.gz QHDSCGOONLYXMX-UONOGXRCSA-N 0 3 294.439 3.368 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000358284844 381300366 /nfs/dbraw/zinc/30/03/66/381300366.db2.gz FQISNMIRTISGLC-GHMZBOCLSA-N 0 3 276.771 3.146 20 30 CGEDHN N#Cc1ccc(CN(Cc2ccc(O)cc2)CC2CC2)o1 ZINC000289188003 197257732 /nfs/dbraw/zinc/25/77/32/197257732.db2.gz BCWXMTVBQCLEEZ-UHFFFAOYSA-N 0 3 282.343 3.269 20 30 CGEDHN N#CC(C(=O)c1cncc(F)c1)c1nccc2ccccc21 ZINC000361531151 381788882 /nfs/dbraw/zinc/78/88/82/381788882.db2.gz PDQORZKVEQYGQK-HNNXBMFYSA-N 0 3 291.285 3.259 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H]1CCCC12CCOCC2 ZINC000334906647 207271831 /nfs/dbraw/zinc/27/18/31/207271831.db2.gz ZTQFSLKUTGIOKR-INIZCTEOSA-N 0 3 288.366 3.136 20 30 CGEDHN C[C@H](CO)N(Cc1ccc(C#N)cc1Cl)CC1CCC1 ZINC000361492893 381772868 /nfs/dbraw/zinc/77/28/68/381772868.db2.gz NJGMAORPRRRHMB-GFCCVEGCSA-N 0 3 292.810 3.195 20 30 CGEDHN C=CCCC[C@H](C)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000361648889 381858920 /nfs/dbraw/zinc/85/89/20/381858920.db2.gz VINUEFSLZJZICU-HRCADAONSA-N 0 3 267.413 3.001 20 30 CGEDHN N#CC(C(=O)c1coc2cc(F)ccc21)c1ccccn1 ZINC000361661843 381862749 /nfs/dbraw/zinc/86/27/49/381862749.db2.gz HIMNCWZMLHEYEO-LBPRGKRZSA-N 0 3 280.258 3.457 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@](C)(CC)C1 ZINC000362383780 381966044 /nfs/dbraw/zinc/96/60/44/381966044.db2.gz BNOSSPBWUBROAP-WBVHZDCISA-N 0 3 278.440 3.088 20 30 CGEDHN C[C@@H]1CC[C@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000362439834 381991192 /nfs/dbraw/zinc/99/11/92/381991192.db2.gz PMPMWFYZXMAWCT-KGLIPLIRSA-N 0 3 267.376 3.431 20 30 CGEDHN COCc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185780525 262070791 /nfs/dbraw/zinc/07/07/91/262070791.db2.gz MGVOSLSZQCQSJE-CJNGLKHVSA-N 0 3 258.365 3.005 20 30 CGEDHN C[C@@H](C#N)CN[C@H]1CCc2cccc(Br)c2C1 ZINC000336613682 533154149 /nfs/dbraw/zinc/15/41/49/533154149.db2.gz KTMLOVHDALIHHH-JQWIXIFHSA-N 0 3 293.208 3.056 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](CC)c1ccc(Cl)s1 ZINC000309538189 542424778 /nfs/dbraw/zinc/42/47/78/542424778.db2.gz FLGLMNNZBXEEFK-ZJUUUORDSA-N 0 3 259.802 3.379 20 30 CGEDHN COc1cc(CNCc2ccc(C)cc2C)ccc1C#N ZINC000281814455 195393655 /nfs/dbraw/zinc/39/36/55/195393655.db2.gz WHHICDFIALJKFA-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN COc1ccc(C#N)cc1CN([C@H](C)C1CC1)C1CC1 ZINC000178914116 533266873 /nfs/dbraw/zinc/26/68/73/533266873.db2.gz JDWFRUGSKXRVHO-GFCCVEGCSA-N 0 3 270.376 3.330 20 30 CGEDHN C[C@@H](NC[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(C#N)cc1F ZINC000414265800 533437353 /nfs/dbraw/zinc/43/73/53/533437353.db2.gz RNYGCZHUAFAYHU-NRWUCQMLSA-N 0 3 276.355 3.161 20 30 CGEDHN C[C@@H](N[C@@H]1CS[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000414225251 533529379 /nfs/dbraw/zinc/52/93/79/533529379.db2.gz IOJCPMHJMYDNII-BREBYQMCSA-N 0 3 264.369 3.242 20 30 CGEDHN C=CCOCCN[C@H]1CCc2cc(Br)ccc21 ZINC000383228977 542600136 /nfs/dbraw/zinc/60/01/36/542600136.db2.gz BATIFKRSVSMZPF-AWEZNQCLSA-N 0 3 296.208 3.229 20 30 CGEDHN COc1ccc([C@@H](NCc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000190712763 130139687 /nfs/dbraw/zinc/13/96/87/130139687.db2.gz SSXKFZVXHMABPH-SFHVURJKSA-N 0 3 295.386 3.146 20 30 CGEDHN CN(CCOc1cccc(C#N)c1)CCc1ccccc1 ZINC000052000569 392075156 /nfs/dbraw/zinc/07/51/56/392075156.db2.gz SWUCONMOFJNHIO-UHFFFAOYSA-N 0 3 280.371 3.112 20 30 CGEDHN Cc1cccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000048870914 392022589 /nfs/dbraw/zinc/02/25/89/392022589.db2.gz QNAPJBTWHDKCCC-SFHVURJKSA-N 0 3 280.371 3.032 20 30 CGEDHN CN(CC(C)(C)CCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104828 392235820 /nfs/dbraw/zinc/23/58/20/392235820.db2.gz ZHOPOMDWBNKKNF-MRXNPFEDSA-N 0 3 299.418 3.054 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cc(C)on1)C(C)C ZINC000284217953 392311163 /nfs/dbraw/zinc/31/11/63/392311163.db2.gz TVUQCNMXHFTBGB-WBVHZDCISA-N 0 3 291.439 3.332 20 30 CGEDHN C=CCC[C@H](NCCC(=O)N1CCCCC1)c1ccco1 ZINC000285587860 392327498 /nfs/dbraw/zinc/32/74/98/392327498.db2.gz JACJWAPSZBMPJU-HNNXBMFYSA-N 0 3 290.407 3.279 20 30 CGEDHN C=CCC[C@H](NCCNC(=O)c1ccccc1)c1ccco1 ZINC000286358639 392381812 /nfs/dbraw/zinc/38/18/12/392381812.db2.gz ZCCQEAYISWSFKL-INIZCTEOSA-N 0 3 298.386 3.307 20 30 CGEDHN CC(C)(C#N)CCCN1CCN(c2cccs2)CC1 ZINC000121432506 392412109 /nfs/dbraw/zinc/41/21/09/392412109.db2.gz HTWBFMBKNXGAQS-UHFFFAOYSA-N 0 3 277.437 3.200 20 30 CGEDHN C#CCOc1ccc(CN2CCC3(CC(OCC)C3)C2)cc1 ZINC000289510838 392423053 /nfs/dbraw/zinc/42/30/53/392423053.db2.gz GSSKFFLJDPABLL-UHFFFAOYSA-N 0 3 299.414 3.090 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)CC1CCC(=O)CC1 ZINC000290046257 392439462 /nfs/dbraw/zinc/43/94/62/392439462.db2.gz OINXFLWTKSYZLA-UHFFFAOYSA-N 0 3 287.403 3.443 20 30 CGEDHN C=CCC[C@@H](O)CN1CCS[C@@H](c2ccccc2)C1 ZINC000366161499 392451122 /nfs/dbraw/zinc/45/11/22/392451122.db2.gz CSWSLAAOXKYVBO-HZPDHXFCSA-N 0 3 277.433 3.104 20 30 CGEDHN N#Cc1c(CN2C[C@@H]3CCC[C@@H]3C2)cn2ccccc12 ZINC000153340455 392514704 /nfs/dbraw/zinc/51/47/04/392514704.db2.gz RBMBEMQGZJVYGS-OKILXGFUSA-N 0 3 265.360 3.043 20 30 CGEDHN CO[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000296165616 392554559 /nfs/dbraw/zinc/55/45/59/392554559.db2.gz UQYCXHSNLNVOIB-BBRMVZONSA-N 0 3 272.392 3.366 20 30 CGEDHN C=CCCCCCN1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374014437 392666990 /nfs/dbraw/zinc/66/69/90/392666990.db2.gz NXXWPFXNRROFLV-IXDOHACOSA-N 0 3 281.440 3.391 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccccc1OCC ZINC000320422894 392671151 /nfs/dbraw/zinc/67/11/51/392671151.db2.gz SXEHDAAQIVSELH-UONOGXRCSA-N 0 3 263.381 3.063 20 30 CGEDHN Cc1ccc(N[C@H]2CCN(C)[C@H]2c2ccccc2)nc1C#N ZINC000302826754 392621335 /nfs/dbraw/zinc/62/13/35/392621335.db2.gz NDYKOPKTCQGJBZ-YJBOKZPZSA-N 0 3 292.386 3.119 20 30 CGEDHN COCCN(CCCC(C)(C)C#N)Cc1ccc(C#N)cc1 ZINC000174835583 392647504 /nfs/dbraw/zinc/64/75/04/392647504.db2.gz FPHAJNARMKRVHI-UHFFFAOYSA-N 0 3 299.418 3.337 20 30 CGEDHN CCOC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189042516 392804865 /nfs/dbraw/zinc/80/48/65/392804865.db2.gz HBMLXRQOAXLEAS-CYBMUJFWSA-N 0 3 258.365 3.120 20 30 CGEDHN CC[C@@H](C)[C@H](C)N(Cc1ccc(C#N)cn1)C1CC1 ZINC000519759842 392891970 /nfs/dbraw/zinc/89/19/70/392891970.db2.gz PCDYKTNNFJNEFP-OLZOCXBDSA-N 0 3 257.381 3.352 20 30 CGEDHN C=CCCCNCc1cc(O)ccc1Br ZINC000336651880 392867880 /nfs/dbraw/zinc/86/78/80/392867880.db2.gz YZTYYRICINQQGA-UHFFFAOYSA-N 0 3 270.170 3.211 20 30 CGEDHN C=CCCCNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000519623903 392875593 /nfs/dbraw/zinc/87/55/93/392875593.db2.gz CPBGOULSWQJMLA-LBPRGKRZSA-N 0 3 261.365 3.074 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](OC(C)C)C1 ZINC000648047673 392883249 /nfs/dbraw/zinc/88/32/49/392883249.db2.gz OGVLPNSAXDCRJX-MRXNPFEDSA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCOCCN(CC)[C@H](C)c1cccc(OC)c1 ZINC000338924731 392935274 /nfs/dbraw/zinc/93/52/74/392935274.db2.gz JTGRKJLAZVXZEU-CQSZACIVSA-N 0 3 263.381 3.281 20 30 CGEDHN C=CCOCCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000338924330 392935381 /nfs/dbraw/zinc/93/53/81/392935381.db2.gz HMJGORZULNYXTK-ZDUSSCGKSA-N 0 3 251.345 3.411 20 30 CGEDHN CCC[C@]1(COC)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000194942316 392947474 /nfs/dbraw/zinc/94/74/74/392947474.db2.gz HSFQDXUFDZCQLN-QGZVFWFLSA-N 0 3 290.382 3.478 20 30 CGEDHN CO[C@](C)([C@@H](C)NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000411951150 392991063 /nfs/dbraw/zinc/99/10/63/392991063.db2.gz PRZKAQDJXMSOGE-CXAGYDPISA-N 0 3 291.822 3.485 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000533446892 392996875 /nfs/dbraw/zinc/99/68/75/392996875.db2.gz WSZBLCDBMGOTOP-WMZOPIPTSA-N 0 3 280.346 3.418 20 30 CGEDHN COCC1(C#N)CCN(C[C@H](C)Cc2ccccc2)CC1 ZINC000342843438 393011048 /nfs/dbraw/zinc/01/10/48/393011048.db2.gz RJFJTOGBDBSZMV-MRXNPFEDSA-N 0 3 286.419 3.117 20 30 CGEDHN CCN(CC1(C#N)CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000343319302 393026105 /nfs/dbraw/zinc/02/61/05/393026105.db2.gz ZLIAVBVVVGMVKY-FUHWJXTLSA-N 0 3 297.446 3.448 20 30 CGEDHN CCOc1cccc2cc([C@@H](C)NC(=O)C(C)C#N)oc21 ZINC000345650309 393061964 /nfs/dbraw/zinc/06/19/64/393061964.db2.gz CEKOGNHFWHGJAT-WDEREUQCSA-N 0 3 286.331 3.168 20 30 CGEDHN CC1(C)CC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000346125028 393075962 /nfs/dbraw/zinc/07/59/62/393075962.db2.gz YDANIGGXBRCRHU-LSDHHAIUSA-N 0 3 270.376 3.064 20 30 CGEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCCCC#N ZINC000351137538 393164455 /nfs/dbraw/zinc/16/44/55/393164455.db2.gz CCPOTJDTRRRPQC-SMDDNHRTSA-N 0 3 266.772 3.309 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000357845733 393517725 /nfs/dbraw/zinc/51/77/25/393517725.db2.gz ZVZFUGVZNDJKAR-JSGCOSHPSA-N 0 3 258.365 3.440 20 30 CGEDHN Cc1nsc(NCC(C)(C)N2CCC[C@H](C)C2)c1C#N ZINC000360962061 393625160 /nfs/dbraw/zinc/62/51/60/393625160.db2.gz VVPKFJYRBVMBNJ-NSHDSACASA-N 0 3 292.452 3.246 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOC(C)(C)C ZINC000442673610 393738796 /nfs/dbraw/zinc/73/87/96/393738796.db2.gz SXOVCKMKSMILOH-ZDUSSCGKSA-N 0 3 260.381 3.366 20 30 CGEDHN Cc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443986992 393779143 /nfs/dbraw/zinc/77/91/43/393779143.db2.gz GVSYDJJICBXHQD-UHFFFAOYSA-N 0 3 250.345 3.465 20 30 CGEDHN Cc1cc(CNCCSCC(F)(F)F)ccc1C#N ZINC000443999753 393782213 /nfs/dbraw/zinc/78/22/13/393782213.db2.gz BZCUJUXGQWLNSU-UHFFFAOYSA-N 0 3 288.338 3.252 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1OC ZINC000501212158 393848852 /nfs/dbraw/zinc/84/88/52/393848852.db2.gz VJWYIGYWOIOQKG-IUODEOHRSA-N 0 3 258.365 3.187 20 30 CGEDHN CC[C@H]1CN(CC)CCN1CCCCC(C)(C)C#N ZINC000451745664 394047428 /nfs/dbraw/zinc/04/74/28/394047428.db2.gz XXEXJYABYOGNRS-HNNXBMFYSA-N 0 3 265.445 3.123 20 30 CGEDHN Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000456955423 394300571 /nfs/dbraw/zinc/30/05/71/394300571.db2.gz BVIXNBYDVFOUCG-KRWDZBQOSA-N 0 3 297.402 3.212 20 30 CGEDHN C=CCN(Cc1cnc(C)n1C)CC1CCCCC1 ZINC000667630358 542900508 /nfs/dbraw/zinc/90/05/08/542900508.db2.gz AYVUIAJBWNGTHJ-UHFFFAOYSA-N 0 3 261.413 3.297 20 30 CGEDHN CCC#C[C@@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694677 543118746 /nfs/dbraw/zinc/11/87/46/543118746.db2.gz DCHVLGXFJFFXTC-CVEARBPZSA-N 0 3 285.435 3.201 20 30 CGEDHN COC1(C)CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000336603751 292101597 /nfs/dbraw/zinc/10/15/97/292101597.db2.gz FOMWQSHSKORLCW-CYBMUJFWSA-N 0 3 258.365 3.120 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000672576994 543217717 /nfs/dbraw/zinc/21/77/17/543217717.db2.gz ABCQRTMBFPIONC-JSGCOSHPSA-N 0 3 275.392 3.465 20 30 CGEDHN CCCC=CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000735208234 572708873 /nfs/dbraw/zinc/70/88/73/572708873.db2.gz XSFUGRYAOPBHGY-LAUIRUGDSA-N 0 3 254.289 3.360 20 30 CGEDHN C=C(C)CN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000649781718 397718825 /nfs/dbraw/zinc/71/88/25/397718825.db2.gz YYNNQXPHFDNKRH-TZMCWYRMSA-N 0 3 275.396 3.024 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](CO)C[C@H](C)CC ZINC000647242910 397715037 /nfs/dbraw/zinc/71/50/37/397715037.db2.gz ANKFIVOJMKBCFW-GDBMZVCRSA-N 0 3 277.408 3.138 20 30 CGEDHN C=CCC[C@@H](O)CN1CCc2cc(F)ccc2[C@H]1C ZINC000675496952 543343943 /nfs/dbraw/zinc/34/39/43/543343943.db2.gz FPIWUKMIOXCECA-IUODEOHRSA-N 0 3 263.356 3.072 20 30 CGEDHN C=CCc1cc(CN[C@@H]2CCC(F)(F)C2)cc(OC)c1O ZINC000675645729 543351479 /nfs/dbraw/zinc/35/14/79/543351479.db2.gz QUOVDGHGULVZKM-CYBMUJFWSA-N 0 3 297.345 3.407 20 30 CGEDHN C=CCOc1ccc(CN[C@H](CO)CC2CC2)cc1Cl ZINC000677246049 543441454 /nfs/dbraw/zinc/44/14/54/543441454.db2.gz VWOXSSWATXWBMS-AWEZNQCLSA-N 0 3 295.810 3.155 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](CC1CC1)c1ccccc1 ZINC000678777292 543557880 /nfs/dbraw/zinc/55/78/80/543557880.db2.gz ROCMHRJDKQWYAP-GOSISDBHSA-N 0 3 298.430 3.318 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000678791804 543559228 /nfs/dbraw/zinc/55/92/28/543559228.db2.gz DUDVRYXITCAVJI-KDOFPFPSSA-N 0 3 282.387 3.336 20 30 CGEDHN CN(CCc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000068862681 165047129 /nfs/dbraw/zinc/04/71/29/165047129.db2.gz FITOGKLSKCVZJX-UHFFFAOYSA-N 0 3 268.335 3.372 20 30 CGEDHN CC(C)n1cc([C@@H](C)NCCOc2ccc(C#N)cc2)cn1 ZINC000090107818 165227208 /nfs/dbraw/zinc/22/72/08/165227208.db2.gz OTWRKQQXCUQZAX-CQSZACIVSA-N 0 3 298.390 3.065 20 30 CGEDHN N#CC(C(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000005615266 170120165 /nfs/dbraw/zinc/12/01/65/170120165.db2.gz YISZDBBPLZKGNJ-VIFPVBQESA-N 0 3 267.313 3.114 20 30 CGEDHN N#CCOc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000035273618 172093240 /nfs/dbraw/zinc/09/32/40/172093240.db2.gz PINYANPMAYDZEQ-MRXNPFEDSA-N 0 3 282.343 3.349 20 30 CGEDHN CN1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000037267685 173077958 /nfs/dbraw/zinc/07/79/58/173077958.db2.gz CQZIBIXGGUCAOF-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN N#Cc1cc(NC[C@@H](c2cccs2)N2CCCC2)ccn1 ZINC000285769635 196393200 /nfs/dbraw/zinc/39/32/00/196393200.db2.gz VZSFTVOOLHUBIO-HNNXBMFYSA-N 0 3 298.415 3.264 20 30 CGEDHN C=CCC[C@@H](CC)NCc1nn(C)c2ccccc12 ZINC000680636555 543721756 /nfs/dbraw/zinc/72/17/56/543721756.db2.gz MTWBMLHLNCDPQQ-CYBMUJFWSA-N 0 3 257.381 3.408 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000347138508 226057627 /nfs/dbraw/zinc/05/76/27/226057627.db2.gz RELZZNVBGZZBGA-RKDXNWHRSA-N 0 3 285.174 3.200 20 30 CGEDHN CCC#C[C@H](C)N(C)CCCOCc1ccccc1 ZINC000685007402 544051873 /nfs/dbraw/zinc/05/18/73/544051873.db2.gz PHBMZLMRVOEHQM-INIZCTEOSA-N 0 3 259.393 3.327 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000659018283 418956672 /nfs/dbraw/zinc/95/66/72/418956672.db2.gz OPVOBDOOBLSEPL-AWEZNQCLSA-N 0 3 299.418 3.152 20 30 CGEDHN CC[C@H](NCC#Cc1ccc(F)cc1)[C@@H]1CCCCO1 ZINC000653875792 419101265 /nfs/dbraw/zinc/10/12/65/419101265.db2.gz ZVRRMMBDEJGZJA-IRXDYDNUSA-N 0 3 275.367 3.115 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(OCC)cn2)C1 ZINC000661380269 419256220 /nfs/dbraw/zinc/25/62/20/419256220.db2.gz LWFVZRAUDWTEGH-AWEZNQCLSA-N 0 3 260.381 3.268 20 30 CGEDHN C=CC[C@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000661387601 419256363 /nfs/dbraw/zinc/25/63/63/419256363.db2.gz YXTIZWDXMAJTEC-YOEHRIQHSA-N 0 3 284.403 3.228 20 30 CGEDHN C=CCCn1cc(CNCC2CC(c3ccccc3)C2)nn1 ZINC000657465063 419285610 /nfs/dbraw/zinc/28/56/10/419285610.db2.gz YPJZCICRNLKOKZ-UHFFFAOYSA-N 0 3 296.418 3.138 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCCC23CCCCC3)nn1 ZINC000657536498 419301496 /nfs/dbraw/zinc/30/14/96/419301496.db2.gz KQCCMJLKQGKFBG-MRXNPFEDSA-N 0 3 288.439 3.447 20 30 CGEDHN C=CCC1(NCc2nc(N)c3ccccc3n2)CCCC1 ZINC000661861627 419306781 /nfs/dbraw/zinc/30/67/81/419306781.db2.gz DMKJPWDBRUSZRD-UHFFFAOYSA-N 0 3 282.391 3.191 20 30 CGEDHN C=CCOCCCNCc1ccccc1OC(C)C ZINC000657658218 419320596 /nfs/dbraw/zinc/32/05/96/419320596.db2.gz WBHFTEPASVWWQV-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@]12CCN(Cc3ccc(CC#N)cc3)C[C@H]1C2(F)F ZINC000336115762 228190023 /nfs/dbraw/zinc/19/00/23/228190023.db2.gz YYGMKWCFVRQMMZ-CABCVRRESA-N 0 3 276.330 3.230 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C)s1 ZINC000657971364 419467282 /nfs/dbraw/zinc/46/72/82/419467282.db2.gz KCJWNBBXZSBMEC-VXGBXAGGSA-N 0 3 251.399 3.071 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](CCO)c1ccco1 ZINC000657977808 419473529 /nfs/dbraw/zinc/47/35/29/419473529.db2.gz FQSHPHFRLNBLCE-QLFBSQMISA-N 0 3 263.381 3.428 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C(F)F)nc1 ZINC000658030182 419504463 /nfs/dbraw/zinc/50/44/63/419504463.db2.gz PJJHSCQMNVTTNX-QKCSRTOESA-N 0 3 282.334 3.403 20 30 CGEDHN C=CCOCCCN[C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000658206086 419658796 /nfs/dbraw/zinc/65/87/96/419658796.db2.gz LZJGTEGBBKAARX-QGZVFWFLSA-N 0 3 293.382 3.468 20 30 CGEDHN C=CCN(CCc1cncn1C)Cc1ccc(Cl)s1 ZINC000297908761 260137497 /nfs/dbraw/zinc/13/74/97/260137497.db2.gz SDXQCPQOSRHOLE-UHFFFAOYSA-N 0 3 295.839 3.366 20 30 CGEDHN C=C(CC)CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000313485682 260298200 /nfs/dbraw/zinc/29/82/00/260298200.db2.gz AKZDKYJHWBSCLI-UHFFFAOYSA-N 0 3 267.756 3.167 20 30 CGEDHN CC[C@](C)(NCCCCC#N)c1nc(C)cs1 ZINC000173938813 261551091 /nfs/dbraw/zinc/55/10/91/261551091.db2.gz SOMGNEVUNWKXGW-ZDUSSCGKSA-N 0 3 251.399 3.360 20 30 CGEDHN CC[C@@H](NCCCSCC#N)c1nc(C)cs1 ZINC000184343809 262017587 /nfs/dbraw/zinc/01/75/87/262017587.db2.gz MXBQCRJOOFDNEM-LLVKDONJSA-N 0 3 269.439 3.139 20 30 CGEDHN CCOc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185781143 262070852 /nfs/dbraw/zinc/07/08/52/262070852.db2.gz DQTRQYCOUOSEGA-HIFRSBDPSA-N 0 3 258.365 3.257 20 30 CGEDHN C=CCCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000310857521 262176931 /nfs/dbraw/zinc/17/69/31/262176931.db2.gz PQEHNDQOQKKDAQ-UHFFFAOYSA-N 0 3 252.289 3.180 20 30 CGEDHN N#CC1CCN(CCSCc2ccccc2)CC1 ZINC000192559268 262205578 /nfs/dbraw/zinc/20/55/78/262205578.db2.gz WBYAMAAEFAEYCQ-UHFFFAOYSA-N 0 3 260.406 3.155 20 30 CGEDHN COc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000192953319 262212690 /nfs/dbraw/zinc/21/26/90/262212690.db2.gz YHICMECWCMWQMH-DZGCQCFKSA-N 0 3 258.365 3.176 20 30 CGEDHN C=CC1CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000111258919 262258976 /nfs/dbraw/zinc/25/89/76/262258976.db2.gz HPHYWJKCFNVLOL-UHFFFAOYSA-N 0 3 258.365 3.043 20 30 CGEDHN CCOC(C)(C)CNC1CC(C#N)(c2ccccc2)C1 ZINC000159203546 262277314 /nfs/dbraw/zinc/27/73/14/262277314.db2.gz BZBPOOCAZYYAHV-UHFFFAOYSA-N 0 3 272.392 3.015 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@](C)(OC)C1CC1 ZINC000336829800 262398641 /nfs/dbraw/zinc/39/86/41/262398641.db2.gz BACDQQRYPQZDPE-QGZVFWFLSA-N 0 3 275.392 3.156 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000414528613 262982874 /nfs/dbraw/zinc/98/28/74/262982874.db2.gz BETNNNUHXRKUTO-CQSZACIVSA-N 0 3 283.400 3.292 20 30 CGEDHN Cc1noc(C[C@@H](NCCC(C)(C)C#N)c2ccccc2)n1 ZINC000277048218 263039597 /nfs/dbraw/zinc/03/95/97/263039597.db2.gz CGDRZDGUDQDUEL-OAHLLOKOSA-N 0 3 298.390 3.191 20 30 CGEDHN C[C@H](NC1CC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000277156583 263039888 /nfs/dbraw/zinc/03/98/88/263039888.db2.gz QQYKNWSNFSVDAM-JTQLQIEISA-N 0 3 266.291 3.037 20 30 CGEDHN N#CCC[C@@H](NC[C@H]1CCSC1)c1ccccc1 ZINC000278570002 263049056 /nfs/dbraw/zinc/04/90/56/263049056.db2.gz XGWIHBWADFPDRY-UKRRQHHQSA-N 0 3 260.406 3.374 20 30 CGEDHN N#CCCCN[C@H](c1cncc(Br)c1)C1CC1 ZINC000284678299 263087612 /nfs/dbraw/zinc/08/76/12/263087612.db2.gz HFLRAZDGWPYYJG-ZDUSSCGKSA-N 0 3 294.196 3.189 20 30 CGEDHN CN(C)C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000286982346 263100295 /nfs/dbraw/zinc/10/02/95/263100295.db2.gz JBQHBUASJLNAPC-COXVUDFISA-N 0 3 289.398 3.100 20 30 CGEDHN C=CCC[C@H](NC[C@H]1CCC[C@@H](O)C1)c1ccco1 ZINC000353514567 263107819 /nfs/dbraw/zinc/10/78/19/263107819.db2.gz CCFYWZCLLQEIAH-ZNMIVQPWSA-N 0 3 263.381 3.428 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000289493288 263110687 /nfs/dbraw/zinc/11/06/87/263110687.db2.gz BRBPUKJZJWWAPX-DOMZBBRYSA-N 0 3 290.407 3.225 20 30 CGEDHN CC[C@@H](C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])OC ZINC000290597476 263117646 /nfs/dbraw/zinc/11/76/46/263117646.db2.gz RJBPOBBTNQGWMB-VUVCFOEZSA-N 0 3 278.396 3.082 20 30 CGEDHN CC[C@H](C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])OC ZINC000290597472 263117652 /nfs/dbraw/zinc/11/76/52/263117652.db2.gz RJBPOBBTNQGWMB-QAEAHILHSA-N 0 3 278.396 3.082 20 30 CGEDHN CC(C)(NCCCSCC#N)c1ccccc1F ZINC000292272477 263130315 /nfs/dbraw/zinc/13/03/15/263130315.db2.gz ZSQKUKWMXJKYIG-UHFFFAOYSA-N 0 3 266.385 3.297 20 30 CGEDHN Cc1ccc(CN(CCOCCC#N)C(C)C)s1 ZINC000293638183 263145267 /nfs/dbraw/zinc/14/52/67/263145267.db2.gz XIENNBUZWNCSEH-UHFFFAOYSA-N 0 3 266.410 3.197 20 30 CGEDHN C=C(CNCc1ccc(OC)c(O)c1)c1ccccc1 ZINC000340437458 263147395 /nfs/dbraw/zinc/14/73/95/263147395.db2.gz ROZRQQCOMCSSMF-UHFFFAOYSA-N 0 3 269.344 3.204 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000340442392 263151740 /nfs/dbraw/zinc/15/17/40/263151740.db2.gz ZRWOPQWVTPVQMX-DTWKUNHWSA-N 0 3 285.174 3.200 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1nc2ccccc2n1C ZINC000296648827 263194780 /nfs/dbraw/zinc/19/47/80/263194780.db2.gz YRRLEEYAKILYJC-RDBSUJKOSA-N 0 3 282.391 3.306 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 ZINC000299141482 263231719 /nfs/dbraw/zinc/23/17/19/263231719.db2.gz UGCOGCBLIBJDII-UHFFFAOYSA-N 0 3 285.391 3.161 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](C)c1cc2ccccc2o1 ZINC000341876372 263361076 /nfs/dbraw/zinc/36/10/76/263361076.db2.gz JMDSQEXUYIBEQN-OLZOCXBDSA-N 0 3 259.349 3.268 20 30 CGEDHN CCCc1nc(C(=O)NCCN2CCCC(C)(C)C2)co1 ZINC000331280890 264171487 /nfs/dbraw/zinc/17/14/87/264171487.db2.gz BYNZNNOWAANFAJ-UHFFFAOYSA-N 0 3 293.411 3.054 20 30 CGEDHN C=CCCCC[C@H](C)NCC(=O)Nc1cccc(F)c1 ZINC000425388139 264221422 /nfs/dbraw/zinc/22/14/22/264221422.db2.gz WAPBLVFOXGYHDW-ZDUSSCGKSA-N 0 3 278.371 3.489 20 30 CGEDHN C=CCN(CCCn1ccnc1)Cc1ccccc1OCC ZINC000161894855 264299072 /nfs/dbraw/zinc/29/90/72/264299072.db2.gz XLDONNQYZDECEQ-UHFFFAOYSA-N 0 3 299.418 3.360 20 30 CGEDHN C=CCOc1cccc(CN(C)[C@H]2CCSC2)c1 ZINC000130531456 264352129 /nfs/dbraw/zinc/35/21/29/264352129.db2.gz MSLAMXALYQQAML-AWEZNQCLSA-N 0 3 263.406 3.189 20 30 CGEDHN C=C(C)COc1cc(CN[C@@H](C)CSC)ccc1OC ZINC000130723635 264360012 /nfs/dbraw/zinc/36/00/12/264360012.db2.gz GEWUGPMPPFEVQW-ZDUSSCGKSA-N 0 3 295.448 3.491 20 30 CGEDHN C=CCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000132383494 264388692 /nfs/dbraw/zinc/38/86/92/264388692.db2.gz RAOYDZMSAITHNO-ZDUSSCGKSA-N 0 3 251.395 3.305 20 30 CGEDHN CC[C@@H](COC)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180634 264392082 /nfs/dbraw/zinc/39/20/82/264392082.db2.gz IUWWVIWXSMRTMX-AWEZNQCLSA-N 0 3 285.309 3.072 20 30 CGEDHN C=CCC[C@@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000286158964 264576292 /nfs/dbraw/zinc/57/62/92/264576292.db2.gz PGRFWLXSBVAESG-CZUORRHYSA-N 0 3 283.375 3.128 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000356542108 266134345 /nfs/dbraw/zinc/13/43/45/266134345.db2.gz NFVGKVOFMZHXNS-IAGOWNOFSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCN(CCC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000357524079 266315612 /nfs/dbraw/zinc/31/56/12/266315612.db2.gz AOQPLPONDLKQGJ-GOSISDBHSA-N 0 3 298.430 3.221 20 30 CGEDHN CN1CC[C@H](NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000368057041 267143120 /nfs/dbraw/zinc/14/31/20/267143120.db2.gz TYLWMZSARMMLAM-GJZGRUSLSA-N 0 3 295.789 3.118 20 30 CGEDHN C=CCCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000370375412 267313270 /nfs/dbraw/zinc/31/32/70/267313270.db2.gz UQRNRBUSXXDFKQ-INIZCTEOSA-N 0 3 293.455 3.003 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000119342971 267323668 /nfs/dbraw/zinc/32/36/68/267323668.db2.gz CQSLCQKNOBHEMK-CHWSQXEVSA-N 0 3 258.365 3.039 20 30 CGEDHN N#CCCCCN1CCOC2(C1)CCCCCC2 ZINC000119553646 267345103 /nfs/dbraw/zinc/34/51/03/267345103.db2.gz MAOJYDQXVMPNDF-UHFFFAOYSA-N 0 3 250.386 3.105 20 30 CGEDHN C=CCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000120036221 267353909 /nfs/dbraw/zinc/35/39/09/267353909.db2.gz NMSQLPCEBPLPPA-UHFFFAOYSA-N 0 3 298.352 3.399 20 30 CGEDHN N#CC1(CN[C@H]2CCC[C@@H](c3cccnc3)C2)CCC1 ZINC000418139611 267362299 /nfs/dbraw/zinc/36/22/99/267362299.db2.gz HVCCFBVJORTISV-ZBFHGGJFSA-N 0 3 269.392 3.391 20 30 CGEDHN N#Cc1csc(CNC2(c3ccccc3)CCOCC2)c1 ZINC000530640356 270201483 /nfs/dbraw/zinc/20/14/83/270201483.db2.gz YNLKIPNQNOJOTK-UHFFFAOYSA-N 0 3 298.411 3.415 20 30 CGEDHN C[C@]1(CNCc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000352835191 274650967 /nfs/dbraw/zinc/65/09/67/274650967.db2.gz KIGOCSVWGCVDMF-CQSZACIVSA-N 0 3 298.308 3.236 20 30 CGEDHN CC1(C)C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000334926502 275869086 /nfs/dbraw/zinc/86/90/86/275869086.db2.gz SWBAWNCJLICRHN-GOEBONIOSA-N 0 3 270.376 3.093 20 30 CGEDHN CC(C)[C@H](CNc1ncc(C#N)cc1Cl)N1CCCC1 ZINC000358874023 276018901 /nfs/dbraw/zinc/01/89/01/276018901.db2.gz VQAPTCYXBYFXAG-AWEZNQCLSA-N 0 3 292.814 3.139 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)c1ccccc1OC(F)F ZINC000345824629 288021478 /nfs/dbraw/zinc/02/14/78/288021478.db2.gz ZSWNEOKVDJDLAW-KOLCDFICSA-N 0 3 282.290 3.015 20 30 CGEDHN CC[C@H](N[C@@H]1COCC1(C)C)c1ccc(C#N)cc1 ZINC000453390796 288073235 /nfs/dbraw/zinc/07/32/35/288073235.db2.gz YMCKINZLECYBAD-LSDHHAIUSA-N 0 3 258.365 3.024 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1cn(C)nc1C)c1ccc(C#N)cc1 ZINC000278752935 280192741 /nfs/dbraw/zinc/19/27/41/280192741.db2.gz NXWRUKADOUGRQP-YVEFUNNKSA-N 0 3 282.391 3.402 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000337532285 290049004 /nfs/dbraw/zinc/04/90/04/290049004.db2.gz DNTCUEULWMZULF-BPNCWPANSA-N 0 3 280.318 3.369 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](n2cccn2)C1 ZINC000118396733 290219793 /nfs/dbraw/zinc/21/97/93/290219793.db2.gz JCJWAJJRSAEHNX-PBHICJAKSA-N 0 3 280.375 3.153 20 30 CGEDHN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(C)C#N ZINC000345645862 302114595 /nfs/dbraw/zinc/11/45/95/302114595.db2.gz RJAZYKRZORQTOJ-DZGCQCFKSA-N 0 3 258.365 3.310 20 30 CGEDHN C=C(C)CN(CC)C(=O)CNC1(c2ccccc2)CCC1 ZINC000170907435 327674505 /nfs/dbraw/zinc/67/45/05/327674505.db2.gz MGAQPYVNSWOVCI-UHFFFAOYSA-N 0 3 286.419 3.080 20 30 CGEDHN C=C(C)CN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185634323 327841961 /nfs/dbraw/zinc/84/19/61/327841961.db2.gz VIEGDNRVHBVWTG-VIFPVBQESA-N 0 3 275.318 3.289 20 30 CGEDHN N#CCCCN[C@@H]1CCc2cc(Br)ccc21 ZINC000273287593 327899284 /nfs/dbraw/zinc/89/92/84/327899284.db2.gz RNYSZHRCTRETFM-CYBMUJFWSA-N 0 3 279.181 3.330 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@H](CC(C)(C)C)C1(C)C ZINC000412825389 328126947 /nfs/dbraw/zinc/12/69/47/328126947.db2.gz PHLRGABVBIGKIA-VXGBXAGGSA-N 0 3 250.386 3.209 20 30 CGEDHN C=CCc1cc(CN[C@@H]2CS[C@H](C)C2)cc(OC)c1O ZINC000414501460 328189919 /nfs/dbraw/zinc/18/99/19/328189919.db2.gz NLYOHEKFPBALIA-RISCZKNCSA-N 0 3 293.432 3.113 20 30 CGEDHN COc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274196141 328209414 /nfs/dbraw/zinc/20/94/14/328209414.db2.gz JHZCHBMLJRHBHJ-GUTXKFCHSA-N 0 3 258.365 3.428 20 30 CGEDHN C=CCOCCN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000293925924 328278589 /nfs/dbraw/zinc/27/85/89/328278589.db2.gz YHRZVLZQELQNFT-CYBMUJFWSA-N 0 3 280.437 3.217 20 30 CGEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565042791 322056532 /nfs/dbraw/zinc/05/65/32/322056532.db2.gz AUVQYJGRYKQUNF-CQSZACIVSA-N 0 3 287.363 3.334 20 30 CGEDHN CC[C@H](C)[C@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000565539666 322081517 /nfs/dbraw/zinc/08/15/17/322081517.db2.gz HZTOCJKZGHTLOV-XJKSGUPXSA-N 0 3 297.406 3.002 20 30 CGEDHN C[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000569344619 322244001 /nfs/dbraw/zinc/24/40/01/322244001.db2.gz TXETZIGGRZAFHD-TYNCELHUSA-N 0 3 287.363 3.381 20 30 CGEDHN N#Cc1ccc(NC(=O)CN2CC[C@H](C3CCCC3)C2)cc1 ZINC000570074245 322264384 /nfs/dbraw/zinc/26/43/84/322264384.db2.gz GGLDNQGYLMHORT-INIZCTEOSA-N 0 3 297.402 3.009 20 30 CGEDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cc1ccc(C#N)cn1 ZINC000571413723 322298003 /nfs/dbraw/zinc/29/80/03/322298003.db2.gz JJBZEADXBFECSX-MAUKXSAKSA-N 0 3 291.398 3.406 20 30 CGEDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1ccc(C#N)cn1 ZINC000571413724 322298135 /nfs/dbraw/zinc/29/81/35/322298135.db2.gz JJBZEADXBFECSX-QAPCUYQASA-N 0 3 291.398 3.406 20 30 CGEDHN C=C(CC)CN[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000341579745 328413602 /nfs/dbraw/zinc/41/36/02/328413602.db2.gz AAFKQJGYSQQDCF-CQSZACIVSA-N 0 3 261.365 3.465 20 30 CGEDHN C=CC[C@@H](C)N[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000116907780 326796396 /nfs/dbraw/zinc/79/63/96/326796396.db2.gz CVKRFBDNKNZNNE-ZBFHGGJFSA-N 0 3 274.408 3.150 20 30 CGEDHN Cc1nc(C)c([C@@H](C)N(C)CCCSCC#N)s1 ZINC000074990486 327122860 /nfs/dbraw/zinc/12/28/60/327122860.db2.gz CHPJTLLMQPVXTF-LLVKDONJSA-N 0 3 283.466 3.400 20 30 CGEDHN COc1ccc(CN(C)CCCSCC#N)cc1C ZINC000074990238 327122704 /nfs/dbraw/zinc/12/27/04/327122704.db2.gz QPXOQCDBFHULGK-UHFFFAOYSA-N 0 3 278.421 3.082 20 30 CGEDHN CN(CCCC#N)Cc1cccc(Br)c1 ZINC000042350702 327237608 /nfs/dbraw/zinc/23/76/08/327237608.db2.gz BAMWBVLFRVEGGP-UHFFFAOYSA-N 0 3 267.170 3.185 20 30 CGEDHN CC(C)(C#N)CCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377775878 329029015 /nfs/dbraw/zinc/02/90/15/329029015.db2.gz IDUYWQNMBGFPPY-HUUCEWRRSA-N 0 3 276.424 3.350 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1sccc1Br ZINC000393626144 329088085 /nfs/dbraw/zinc/08/80/85/329088085.db2.gz XWIZGEVALDHHEO-IUCAKERBSA-N 0 3 290.226 3.098 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1sccc1Br ZINC000393626146 329088196 /nfs/dbraw/zinc/08/81/96/329088196.db2.gz XWIZGEVALDHHEO-RKDXNWHRSA-N 0 3 290.226 3.098 20 30 CGEDHN C=C(C)COc1cc(CN[C@H]2C[C@@H]2C(F)F)ccc1OC ZINC000582568997 329109648 /nfs/dbraw/zinc/10/96/48/329109648.db2.gz KLDXLPJACLOVAI-STQMWFEESA-N 0 3 297.345 3.393 20 30 CGEDHN CC(C)(CCC#N)CN1CCOC2(CCCCC2)C1 ZINC000179936858 329213871 /nfs/dbraw/zinc/21/38/71/329213871.db2.gz INPKZSVSGCYGEQ-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN C=C(C)CN(C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000181044229 329225171 /nfs/dbraw/zinc/22/51/71/329225171.db2.gz TZSMMUZPKXXSHW-UHFFFAOYSA-N 0 3 279.380 3.110 20 30 CGEDHN C=C(C)CN[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181826537 329237678 /nfs/dbraw/zinc/23/76/78/329237678.db2.gz SJLYPAVCJOWCSC-OAHLLOKOSA-N 0 3 261.365 3.235 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000182152915 329240302 /nfs/dbraw/zinc/24/03/02/329240302.db2.gz VMEFVAFMJBAOHO-OAHLLOKOSA-N 0 3 279.355 3.222 20 30 CGEDHN C=CC[C@H](C)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418360682 329344982 /nfs/dbraw/zinc/34/49/82/329344982.db2.gz SUNQATSINQMQSK-XJKSGUPXSA-N 0 3 289.423 3.074 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc(-c2ccco2)s1 ZINC000459731451 329374225 /nfs/dbraw/zinc/37/42/25/329374225.db2.gz NQKASYABBMPTDM-UHFFFAOYSA-N 0 3 275.377 3.433 20 30 CGEDHN C=CCN(CCc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297853 329378410 /nfs/dbraw/zinc/37/84/10/329378410.db2.gz ZAHUUFAOQJOLFZ-UHFFFAOYSA-N 0 3 297.358 3.221 20 30 CGEDHN C=CCC[C@H](CC)NCc1ncnn1-c1ccccc1 ZINC000279599322 330123530 /nfs/dbraw/zinc/12/35/30/330123530.db2.gz WBKXCUQDCYJQIW-AWEZNQCLSA-N 0 3 270.380 3.102 20 30 CGEDHN C=CC1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423187527 330175721 /nfs/dbraw/zinc/17/57/21/330175721.db2.gz YCGSUOYOGWXXDC-INIZCTEOSA-N 0 3 286.419 3.137 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000424093895 330226221 /nfs/dbraw/zinc/22/62/21/330226221.db2.gz SKLXPMVGOFKCRK-SJORKVTESA-N 0 3 299.418 3.055 20 30 CGEDHN COc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1OCCCC#N ZINC000527529534 330258003 /nfs/dbraw/zinc/25/80/03/330258003.db2.gz ZUCROOANRCLJMD-KBPBESRZSA-N 0 3 288.391 3.360 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1sccc1Cl ZINC000424179584 330318591 /nfs/dbraw/zinc/31/85/91/330318591.db2.gz YYHIBOIJWAHEMT-ONGXEEELSA-N 0 3 257.786 3.082 20 30 CGEDHN Cc1ccc(-c2ncc(CN[C@@H]3CC[C@H](C#N)C3)s2)o1 ZINC000424189878 330322864 /nfs/dbraw/zinc/32/28/64/330322864.db2.gz FCYOYJPOJGXLMJ-NWDGAFQWSA-N 0 3 287.388 3.493 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000532976707 330323706 /nfs/dbraw/zinc/32/37/06/330323706.db2.gz PEJFXTVWVGCFQC-AWEZNQCLSA-N 0 3 274.408 3.474 20 30 CGEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC(F)F)c1 ZINC000424192496 330323781 /nfs/dbraw/zinc/32/37/81/330323781.db2.gz IZLRGUWZDUDMMA-CMPLNLGQSA-N 0 3 296.317 3.078 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000424291766 330335052 /nfs/dbraw/zinc/33/50/52/330335052.db2.gz FKLJMQJDTYYNFX-UHTWSYAYSA-N 0 3 297.320 3.272 20 30 CGEDHN C=CCn1cc(CN[C@@H](C2CCC2)C2CCCCC2)nn1 ZINC000424292724 330335149 /nfs/dbraw/zinc/33/51/49/330335149.db2.gz HEPLXNWTHAWLCO-QGZVFWFLSA-N 0 3 288.439 3.303 20 30 CGEDHN C=CCn1cc(CN[C@@H](Cc2ccc(C)cc2)C(C)C)nn1 ZINC000424296051 330335945 /nfs/dbraw/zinc/33/59/45/330335945.db2.gz OAQFFKBKAZTJHP-SFHVURJKSA-N 0 3 298.434 3.129 20 30 CGEDHN C=C(CC)CN1CCN(CC(=C)CC)C(C)(C)C1 ZINC000536905314 330363747 /nfs/dbraw/zinc/36/37/47/330363747.db2.gz NDKFEBYWWQPBFG-UHFFFAOYSA-N 0 3 250.430 3.315 20 30 CGEDHN CCN(CC)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1ccsc1 ZINC000442720431 330780655 /nfs/dbraw/zinc/78/06/55/330780655.db2.gz RKQIMSQDLHAUAX-FVQBIDKESA-N 0 3 291.464 3.413 20 30 CGEDHN CC(C)c1ccc(OCCN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442785290 330783195 /nfs/dbraw/zinc/78/31/95/330783195.db2.gz RNDIFAZJWAFCFM-ZBFHGGJFSA-N 0 3 272.392 3.471 20 30 CGEDHN CC(C)(C)Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000442830514 330785692 /nfs/dbraw/zinc/78/56/92/330785692.db2.gz SQCXVZJDHHVJLS-GXTWGEPZSA-N 0 3 273.380 3.041 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(SCC)c1 ZINC000449516650 330932875 /nfs/dbraw/zinc/93/28/75/330932875.db2.gz BNTYJSMLVPXANA-CABCVRRESA-N 0 3 263.406 3.232 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163523253 331051448 /nfs/dbraw/zinc/05/14/48/331051448.db2.gz LGOBWHGCYZFENM-OAHLLOKOSA-N 0 3 278.352 3.228 20 30 CGEDHN COC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000452098809 331054103 /nfs/dbraw/zinc/05/41/03/331054103.db2.gz GADGNCGDQNDQKM-INIZCTEOSA-N 0 3 291.822 3.440 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2nc(CC)sc21 ZINC000453330138 331117518 /nfs/dbraw/zinc/11/75/18/331117518.db2.gz ARXPTLBWFOIXQM-BZPMIXESSA-N 0 3 292.448 3.406 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1sc(CC)nc1C ZINC000453347100 331119964 /nfs/dbraw/zinc/11/99/64/331119964.db2.gz HKWGZVJYCLLNMA-WCQGTBRESA-N 0 3 266.410 3.008 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](CC)c1ccc(F)cc1F ZINC000453352185 331120894 /nfs/dbraw/zinc/12/08/94/331120894.db2.gz KZNCCEXNOSDJFE-IUODEOHRSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453353316 331121082 /nfs/dbraw/zinc/12/10/82/331121082.db2.gz MXUOROFZSQZNEH-XPKDYRNWSA-N 0 3 290.363 3.287 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000453356749 331121678 /nfs/dbraw/zinc/12/16/78/331121678.db2.gz MLPKFSGZDCTLSK-GDLCADMTSA-N 0 3 283.318 3.282 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000453364375 331122982 /nfs/dbraw/zinc/12/29/82/331122982.db2.gz QFVBZNNZQQYASB-CKLFPEKLSA-N 0 3 271.282 3.098 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000456896346 331208396 /nfs/dbraw/zinc/20/83/96/331208396.db2.gz NSTZDNNCODVKDB-WMLDXEAASA-N 0 3 284.403 3.454 20 30 CGEDHN C=CCC1(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCCCC1 ZINC000458440740 331251374 /nfs/dbraw/zinc/25/13/74/331251374.db2.gz MYJQVNUKDXFEHB-GJZGRUSLSA-N 0 3 293.455 3.047 20 30 CGEDHN CC#CCCNCc1c(C)nc2scc(C3CC3)n12 ZINC000459471006 331283441 /nfs/dbraw/zinc/28/34/41/331283441.db2.gz FHYNFTLHTDZFAY-UHFFFAOYSA-N 0 3 273.405 3.085 20 30 CGEDHN N#CCCCN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459518687 331285812 /nfs/dbraw/zinc/28/58/12/331285812.db2.gz CQJMQIORTCXOTE-INIZCTEOSA-N 0 3 272.392 3.174 20 30 CGEDHN COc1cc(CNCC(C)(C)CC#N)cc(Cl)c1OC ZINC000459702487 331295053 /nfs/dbraw/zinc/29/50/53/331295053.db2.gz VDDYUGIYMXHTFW-UHFFFAOYSA-N 0 3 296.798 3.387 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCCNc2ccccc21 ZINC000459731349 331296531 /nfs/dbraw/zinc/29/65/31/331296531.db2.gz NMKCELLBTQNFIK-OAHLLOKOSA-N 0 3 257.381 3.463 20 30 CGEDHN CC(C)(CC#N)CNCc1c(C2CC2)nc2sccn12 ZINC000459736344 331296901 /nfs/dbraw/zinc/29/69/01/331296901.db2.gz UUXZKZPTELEJCL-UHFFFAOYSA-N 0 3 288.420 3.303 20 30 CGEDHN CO[C@H]1C[C@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC000459750725 331298303 /nfs/dbraw/zinc/29/83/03/331298303.db2.gz HMBPTZMEKJGJGU-HOTGVXAUSA-N 0 3 289.806 3.239 20 30 CGEDHN CC#CCCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000462310060 331318999 /nfs/dbraw/zinc/31/89/99/331318999.db2.gz FFODIIRWOSQUOU-UHFFFAOYSA-N 0 3 271.282 3.430 20 30 CGEDHN CC#CCCN(C)CCOc1ccc(Cl)cc1 ZINC000462316505 331319318 /nfs/dbraw/zinc/31/93/18/331319318.db2.gz STVHEJNBTYRYMD-UHFFFAOYSA-N 0 3 251.757 3.064 20 30 CGEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)OC ZINC000463426438 331347490 /nfs/dbraw/zinc/34/74/90/331347490.db2.gz ALCRVMQFUKAIBX-CYBMUJFWSA-N 0 3 299.336 3.414 20 30 CGEDHN C=CCCCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000472055688 331527489 /nfs/dbraw/zinc/52/74/89/331527489.db2.gz PLCVKHJMEXXYEQ-UHFFFAOYSA-N 0 3 278.352 3.439 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1F ZINC000489466761 332054288 /nfs/dbraw/zinc/05/42/88/332054288.db2.gz YXLLDURGHOVASJ-CYBMUJFWSA-N 0 3 276.355 3.195 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490038039 332077766 /nfs/dbraw/zinc/07/77/66/332077766.db2.gz TYPIWHZDKZQIMN-HOTGVXAUSA-N 0 3 297.826 3.286 20 30 CGEDHN C#C[C@H](N[C@@H](C)C1CCOCC1)c1ccc(Cl)cc1 ZINC000491232133 332171296 /nfs/dbraw/zinc/17/12/96/332171296.db2.gz YNWDVLRSVGEQPL-LRDDRELGSA-N 0 3 277.795 3.419 20 30 CGEDHN C#C[C@@H](CC)NCc1cccc(-c2ccncc2)c1 ZINC000491627017 332250667 /nfs/dbraw/zinc/25/06/67/332250667.db2.gz JMPPNHHXYSGYSU-KRWDZBQOSA-N 0 3 250.345 3.250 20 30 CGEDHN C[C@H](CCC#N)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000492695311 332410097 /nfs/dbraw/zinc/41/00/97/332410097.db2.gz HPMWBCFBLZXHBC-CYBMUJFWSA-N 0 3 295.427 3.010 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000553709266 334396256 /nfs/dbraw/zinc/39/62/56/334396256.db2.gz BEWGXOFGBUYPOY-SWLSCSKDSA-N 0 3 294.826 3.317 20 30 CGEDHN C=CCNC(=O)CN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175434770 333024786 /nfs/dbraw/zinc/02/47/86/333024786.db2.gz TWGFTBXOTPJOKL-OLZOCXBDSA-N 0 3 294.826 3.066 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000517491017 333100497 /nfs/dbraw/zinc/10/04/97/333100497.db2.gz JZJWHNGXQJTCPW-DDTOSNHZSA-N 0 3 298.308 3.021 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000220336543 333165414 /nfs/dbraw/zinc/16/54/14/333165414.db2.gz BOQRDXPATHDANQ-IBGZPJMESA-N 0 3 281.399 3.278 20 30 CGEDHN C=CCSCCN[C@H](C)c1cnn(C(C)C)c1C ZINC000191352872 333218628 /nfs/dbraw/zinc/21/86/28/333218628.db2.gz GPDRSKSCINUXOU-GFCCVEGCSA-N 0 3 267.442 3.342 20 30 CGEDHN C=CCOc1ccc(CNCc2cccc(O)c2)cc1 ZINC000337748907 335129604 /nfs/dbraw/zinc/12/96/04/335129604.db2.gz PARUEWFLHSHLDB-UHFFFAOYSA-N 0 3 269.344 3.247 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(Br)s1 ZINC000229515250 333305748 /nfs/dbraw/zinc/30/57/48/333305748.db2.gz GHFJRBXCVNDISZ-QMMMGPOBSA-N 0 3 258.184 3.012 20 30 CGEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(C)C#N ZINC000524768006 333387737 /nfs/dbraw/zinc/38/77/37/333387737.db2.gz AUVYGBFNQDAYOO-IMJJTQAJSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCCOCCNCc1cc(C)cc(Cl)c1 ZINC000339326626 335143502 /nfs/dbraw/zinc/14/35/02/335143502.db2.gz KXBCKIZDIQGICN-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000538286867 333583236 /nfs/dbraw/zinc/58/32/36/333583236.db2.gz SEVPSHNXEKEEGX-HNNXBMFYSA-N 0 3 295.471 3.295 20 30 CGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000174211300 335150536 /nfs/dbraw/zinc/15/05/36/335150536.db2.gz CSIFVIIPJNDAAR-AWEZNQCLSA-N 0 3 291.354 3.160 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000539388789 333668565 /nfs/dbraw/zinc/66/85/65/333668565.db2.gz SFCSYBLNBVIBPA-HOTGVXAUSA-N 0 3 295.471 3.151 20 30 CGEDHN Cc1cccc2c(CCNCc3ccc(C#N)o3)c[nH]c21 ZINC000174447874 335155337 /nfs/dbraw/zinc/15/53/37/335155337.db2.gz TXIPZWJALWAWNP-UHFFFAOYSA-N 0 3 279.343 3.273 20 30 CGEDHN C=CCOc1cccc(CN[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000543242283 333865778 /nfs/dbraw/zinc/86/57/78/333865778.db2.gz JGOWMYDINBPQIX-ROUUACIJSA-N 0 3 287.403 3.299 20 30 CGEDHN Cc1cccnc1[C@H]1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000546699238 334046883 /nfs/dbraw/zinc/04/68/83/334046883.db2.gz XWPFMORQXWFPHG-GJZGRUSLSA-N 0 3 269.392 3.310 20 30 CGEDHN C=CCCCCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000564342717 334143203 /nfs/dbraw/zinc/14/32/03/334143203.db2.gz HFQBDGBFDXGJCA-INIZCTEOSA-N 0 3 293.455 3.003 20 30 CGEDHN C=CC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000093359249 334460344 /nfs/dbraw/zinc/46/03/44/334460344.db2.gz QXIFYMQCSGMLEA-UHFFFAOYSA-N 0 3 255.361 3.360 20 30 CGEDHN C=CCCCCN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000567214463 334693378 /nfs/dbraw/zinc/69/33/78/334693378.db2.gz YNAIWVKZMYOFBH-UHFFFAOYSA-N 0 3 267.413 3.396 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576758715 335244469 /nfs/dbraw/zinc/24/44/69/335244469.db2.gz DUPGLAZBFFGRHT-DOMZBBRYSA-N 0 3 287.363 3.477 20 30 CGEDHN Cc1cc(C)cc(OCCNCc2ccc(C#N)s2)c1 ZINC000176954624 335344620 /nfs/dbraw/zinc/34/46/20/335344620.db2.gz NTEXDHPIMDJRKU-UHFFFAOYSA-N 0 3 286.400 3.405 20 30 CGEDHN COc1ccc([C@@H](CCC#N)NC[C@](C)(O)C(C)C)cc1 ZINC000577575524 335371905 /nfs/dbraw/zinc/37/19/05/335371905.db2.gz GZYBOYCVXPSEOZ-SJORKVTESA-N 0 3 290.407 3.037 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000179653304 335506072 /nfs/dbraw/zinc/50/60/72/335506072.db2.gz OFXSXIABZUXAEK-SFHVURJKSA-N 0 3 286.419 3.200 20 30 CGEDHN C=CCC[C@H](NCC(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000180043298 335544577 /nfs/dbraw/zinc/54/45/77/335544577.db2.gz FLVULMJPUATNMV-WBVHZDCISA-N 0 3 288.435 3.444 20 30 CGEDHN CC1(C#N)CCC(NCc2noc3ccccc32)CC1 ZINC000579977393 335942191 /nfs/dbraw/zinc/94/21/91/335942191.db2.gz CWKFHMXJOWSHES-UHFFFAOYSA-N 0 3 269.348 3.390 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](OC)[C@@H](C)CC)cc1 ZINC000381227760 336055636 /nfs/dbraw/zinc/05/56/36/336055636.db2.gz ABJOWTNJIJWIRA-WMLDXEAASA-N 0 3 277.408 3.402 20 30 CGEDHN C[C@H](CNCc1nc(C#N)cs1)C1CCCCC1 ZINC000581517604 336093026 /nfs/dbraw/zinc/09/30/26/336093026.db2.gz NWXDMGPJJLDRBA-LLVKDONJSA-N 0 3 263.410 3.321 20 30 CGEDHN C=CCCCCCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000581953211 336178484 /nfs/dbraw/zinc/17/84/84/336178484.db2.gz IJXVCYRSPVKRNX-ZBFHGGJFSA-N 0 3 274.408 3.185 20 30 CGEDHN C[C@H](NCC[C@@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000358438336 533863748 /nfs/dbraw/zinc/86/37/48/533863748.db2.gz WIORCXQTRUSTTH-JSGCOSHPSA-N 0 3 276.355 3.307 20 30 CGEDHN C[C@H](NCCc1nccs1)c1ccc(C#N)cc1F ZINC000358566647 533876628 /nfs/dbraw/zinc/87/66/28/533876628.db2.gz BIPVNDMQLJPHCO-JTQLQIEISA-N 0 3 275.352 3.047 20 30 CGEDHN COc1cc(CN[C@@H]2CCCC(F)(F)C2)ccc1C#N ZINC000440608062 533894484 /nfs/dbraw/zinc/89/44/84/533894484.db2.gz DQHYHLDIGVETDW-CYBMUJFWSA-N 0 3 280.318 3.234 20 30 CGEDHN C[C@H](CCN1CCC(C#N)CC1)OCc1ccccc1 ZINC000354857194 533905840 /nfs/dbraw/zinc/90/58/40/533905840.db2.gz KBXVOXDNTIUFKI-OAHLLOKOSA-N 0 3 272.392 3.217 20 30 CGEDHN C[C@H](Nc1ncc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000413272128 534030753 /nfs/dbraw/zinc/03/07/53/534030753.db2.gz TVLOGYBPOMWGEI-BLLLJJGKSA-N 0 3 298.365 3.196 20 30 CGEDHN C[C@H]1OCC[C@]1(C)NCc1cccc(OCCCC#N)c1 ZINC000344387978 534130610 /nfs/dbraw/zinc/13/06/10/534130610.db2.gz FLILSQLLUQKTGW-PBHICJAKSA-N 0 3 288.391 3.026 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC000359506017 534132941 /nfs/dbraw/zinc/13/29/41/534132941.db2.gz IEPQMEBBDQFUKS-RDTXWAMCSA-N 0 3 292.386 3.201 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000354969050 534282527 /nfs/dbraw/zinc/28/25/27/534282527.db2.gz CJDLMOPXXQOBPF-OLZOCXBDSA-N 0 3 270.376 3.117 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000347107757 534284824 /nfs/dbraw/zinc/28/48/24/534284824.db2.gz JVVXWKPWYSZVTJ-YGRLFVJLSA-N 0 3 276.767 3.457 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187204483 518635866 /nfs/dbraw/zinc/63/58/66/518635866.db2.gz WEFXZTVDNBDTEB-UXLLHSPISA-N 0 3 288.435 3.396 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000106039662 526599937 /nfs/dbraw/zinc/59/99/37/526599937.db2.gz IUYYUPQHOYSGJC-UHFFFAOYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)COCCN[C@H](c1ccc(F)cn1)C(C)C ZINC000354034970 526658153 /nfs/dbraw/zinc/65/81/53/526658153.db2.gz IWWWLRWQFWJEQN-HNNXBMFYSA-N 0 3 266.360 3.100 20 30 CGEDHN C=CC1CCN(Cc2ccc(OC)c(OC)c2C)CC1 ZINC000347770159 526980274 /nfs/dbraw/zinc/98/02/74/526980274.db2.gz AWLUTZAJKILJQH-UHFFFAOYSA-N 0 3 275.392 3.410 20 30 CGEDHN C#CCOc1ccc(CN[C@H]2CCc3c2cccc3O)cc1 ZINC000113337297 527106801 /nfs/dbraw/zinc/10/68/01/527106801.db2.gz FWFXTOILRPHTSS-SFHVURJKSA-N 0 3 293.366 3.181 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N(C(C)C)C(C)C ZINC000351895438 527128039 /nfs/dbraw/zinc/12/80/39/527128039.db2.gz FMJUHTFCYVMFPD-UHFFFAOYSA-N 0 3 268.445 3.310 20 30 CGEDHN C=CCCC[C@H](C)NCc1ncc(CN(C)C)s1 ZINC000352739855 527296643 /nfs/dbraw/zinc/29/66/43/527296643.db2.gz RJDVHORPUAUDFU-LBPRGKRZSA-N 0 3 267.442 3.039 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)cc(CN)c1 ZINC000335177633 527453368 /nfs/dbraw/zinc/45/33/68/527453368.db2.gz KELJVUDCRHISTM-OAHLLOKOSA-N 0 3 273.380 3.026 20 30 CGEDHN C=CCC[C@H](N[C@H]1CC[C@H](C(=O)OC)C1)c1ccco1 ZINC000353601112 527488684 /nfs/dbraw/zinc/48/86/84/527488684.db2.gz AOHIYOHWRIEEGU-IHRRRGAJSA-N 0 3 277.364 3.218 20 30 CGEDHN C=C[C@H](CO)N[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000353576065 527594664 /nfs/dbraw/zinc/59/46/64/527594664.db2.gz MTMFTKWZUNQCHG-NOZJJQNGSA-N 0 3 272.175 3.117 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@@H](C)c1ccccc1OC ZINC000347045189 527777657 /nfs/dbraw/zinc/77/76/57/527777657.db2.gz ZOVYZJRPCIITEL-OLZOCXBDSA-N 0 3 274.364 3.154 20 30 CGEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000344320159 528567520 /nfs/dbraw/zinc/56/75/20/528567520.db2.gz KVRNQOLEXQKUKE-ZWNOBZJWSA-N 0 3 264.756 3.313 20 30 CGEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1F)[C@@H](CO)C(C)C ZINC000449511848 528589857 /nfs/dbraw/zinc/58/98/57/528589857.db2.gz OEHYZFXKJAPMCL-DOTOQJQBSA-N 0 3 292.398 3.076 20 30 CGEDHN CC(C)O[C@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000451489080 534932946 /nfs/dbraw/zinc/93/29/46/534932946.db2.gz BUIYBLRFWZLBCG-HOTGVXAUSA-N 0 3 290.382 3.379 20 30 CGEDHN CC(C)CC[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000486809525 534956209 /nfs/dbraw/zinc/95/62/09/534956209.db2.gz ODQOVCMNFDXGPE-QGZVFWFLSA-N 0 3 299.418 3.397 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1OC ZINC000452034002 535743912 /nfs/dbraw/zinc/74/39/12/535743912.db2.gz IRZBXKAJNNJDPR-NVXWUHKLSA-N 0 3 288.391 3.004 20 30 CGEDHN C=CCN(Cc1cc2ccccc2[nH]c1=O)C(C)C ZINC000732197629 572453807 /nfs/dbraw/zinc/45/38/07/572453807.db2.gz JXCVNZPWHHYDJY-UHFFFAOYSA-N 0 3 256.349 3.337 20 30 CGEDHN Cc1cccc(C2(O)CCN(CCCCC#N)CC2)c1C ZINC000741812133 572532616 /nfs/dbraw/zinc/53/26/16/572532616.db2.gz VPRQNFHTFFAQJX-UHFFFAOYSA-N 0 3 286.419 3.281 20 30 CGEDHN N#CC(C(=O)C=CC1CC1)c1ccc2ccccc2n1 ZINC000744015251 572696795 /nfs/dbraw/zinc/69/67/95/572696795.db2.gz KUQCJRVULHZDJH-JKEYDSJLSA-N 0 3 262.312 3.377 20 30 CGEDHN CN(Cc1cc(Cl)ccc1OCC#N)CC1CC1 ZINC000735308320 572714145 /nfs/dbraw/zinc/71/41/45/572714145.db2.gz HECSQVNLZZDWSV-UHFFFAOYSA-N 0 3 264.756 3.084 20 30 CGEDHN C=C(C)CN1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747971019 572956684 /nfs/dbraw/zinc/95/66/84/572956684.db2.gz XGIFMVVJOZKJIJ-KBPBESRZSA-N 0 3 282.428 3.188 20 30 CGEDHN C[C@H](COc1ccccc1)NCc1cc(C#N)cs1 ZINC000748099053 572960046 /nfs/dbraw/zinc/96/00/46/572960046.db2.gz CFXBSNBTPHJRQQ-GFCCVEGCSA-N 0 3 272.373 3.177 20 30 CGEDHN COCCON=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000748789606 572984111 /nfs/dbraw/zinc/98/41/11/572984111.db2.gz WIRTYXKCYVLXIB-UHFFFAOYSA-N 0 3 290.407 3.454 20 30 CGEDHN CCN1CCCC[C@@H]1CNc1nc2ccccc2cc1C#N ZINC000750172241 573097008 /nfs/dbraw/zinc/09/70/08/573097008.db2.gz WOZCDMKKIJPXQD-MRXNPFEDSA-N 0 3 294.402 3.393 20 30 CGEDHN C=C(C)CCN1CC[C@@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000964809323 613264549 /nfs/dbraw/zinc/26/45/49/613264549.db2.gz WDBNEUSBRPKSQR-ZIAGYGMSSA-N 0 3 292.448 3.155 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2C(C)C)C[C@@H]1C ZINC000947369464 613270912 /nfs/dbraw/zinc/27/09/12/613270912.db2.gz MNJDQFAUJFJCBN-HOTGVXAUSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967491867 613324618 /nfs/dbraw/zinc/32/46/18/613324618.db2.gz AVYFKZQPJOMTQP-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972998921 613337488 /nfs/dbraw/zinc/33/74/88/613337488.db2.gz PWTXZJOQBWSBKU-CYBMUJFWSA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC000980514012 613618163 /nfs/dbraw/zinc/61/81/63/613618163.db2.gz CDWRTTLAFPPJAC-SJLPKXTDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccoc1CC ZINC000968837378 613684577 /nfs/dbraw/zinc/68/45/77/613684577.db2.gz NADGXZRCDLOPFU-CQSZACIVSA-N 0 3 290.407 3.002 20 30 CGEDHN C#CCC1(NCc2ccc(Oc3ccccc3)nn2)CCC1 ZINC000933298878 618194403 /nfs/dbraw/zinc/19/44/03/618194403.db2.gz LADAGTBFHPQUIZ-UHFFFAOYSA-N 0 3 293.370 3.305 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[C@H]2CC)C1 ZINC001022285662 618252478 /nfs/dbraw/zinc/25/24/78/618252478.db2.gz JWFCHKPRUBVQJY-NYTXWWLZSA-N 0 3 298.858 3.192 20 30 CGEDHN COc1ccc(O)c(/C=N\C[C@@H](c2ccccc2)N(C)C)c1 ZINC000255396564 618287073 /nfs/dbraw/zinc/28/70/73/618287073.db2.gz DQQNZGDBWRVEEX-LSPINASFSA-N 0 3 298.386 3.123 20 30 CGEDHN N#Cc1cc(CN2CC[C@@H](c3ccco3)C2)cs1 ZINC000892019443 618490516 /nfs/dbraw/zinc/49/05/16/618490516.db2.gz SZVODQWDLUQLDW-GFCCVEGCSA-N 0 3 258.346 3.202 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000926424510 618660073 /nfs/dbraw/zinc/66/00/73/618660073.db2.gz NSWSNWPWYYMPPO-CZUORRHYSA-N 0 3 291.414 3.346 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000926424514 618660189 /nfs/dbraw/zinc/66/01/89/618660189.db2.gz NSWSNWPWYYMPPO-XJKSGUPXSA-N 0 3 291.414 3.346 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001022904253 618679351 /nfs/dbraw/zinc/67/93/51/618679351.db2.gz IVFBQJQKMSEUFJ-APIJFGDWSA-N 0 3 298.858 3.192 20 30 CGEDHN C[C@@]1(Cc2ccccc2Cl)CCCN1C[C@H](O)CC#N ZINC000930929458 619093464 /nfs/dbraw/zinc/09/34/64/619093464.db2.gz OPGRKXOLXNNSPJ-ZBFHGGJFSA-N 0 3 292.810 3.012 20 30 CGEDHN C=CCN(C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H](C)COC ZINC000930932428 619094040 /nfs/dbraw/zinc/09/40/40/619094040.db2.gz KSGVHCJNXJUFSS-RWMBFGLXSA-N 0 3 295.345 3.009 20 30 CGEDHN C=C(Br)CN[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000162548535 619100822 /nfs/dbraw/zinc/10/08/22/619100822.db2.gz VRZQRPKHVYSBAG-NEPJUHHUSA-N 0 3 288.229 3.222 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C)c1cn(C(C)C)nn1 ZINC000925704152 619153903 /nfs/dbraw/zinc/15/39/03/619153903.db2.gz ILPFLQQKKMUHCB-QWHCGFSZSA-N 0 3 250.390 3.254 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000893607714 619236206 /nfs/dbraw/zinc/23/62/06/619236206.db2.gz ZUNCRWDMAPQMOV-FRRDWIJNSA-N 0 3 252.402 3.250 20 30 CGEDHN N#Cc1ccc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)s1 ZINC000931923528 619281055 /nfs/dbraw/zinc/28/10/55/619281055.db2.gz UAEDTDFUVAPSEC-PBHICJAKSA-N 0 3 280.396 3.393 20 30 CGEDHN C#CCN(CC1=Cc2ccccc2OC1)C1CCCC1 ZINC000093819778 619547607 /nfs/dbraw/zinc/54/76/07/619547607.db2.gz WWXRBTCVAVHPMO-UHFFFAOYSA-N 0 3 267.372 3.340 20 30 CGEDHN COc1ccc2nccc(N3CCC[C@@H](CC#N)C3)c2c1 ZINC000894486742 619550444 /nfs/dbraw/zinc/55/04/44/619550444.db2.gz MWMBVDSFEALDEX-ZDUSSCGKSA-N 0 3 281.359 3.373 20 30 CGEDHN COc1ccc2nccc(N3CCC[C@H](CC#N)C3)c2c1 ZINC000894486741 619550682 /nfs/dbraw/zinc/55/06/82/619550682.db2.gz MWMBVDSFEALDEX-CYBMUJFWSA-N 0 3 281.359 3.373 20 30 CGEDHN CC(C)(CCC#N)C[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000894513316 619559097 /nfs/dbraw/zinc/55/90/97/619559097.db2.gz HOTCGFKBIIUEPN-UHFFFAOYSA-N 0 3 266.772 3.465 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccc(F)cc1 ZINC000894575733 619579879 /nfs/dbraw/zinc/57/98/79/619579879.db2.gz VMXGMFQFDBHHOF-ONIAQPFYSA-N 0 3 287.378 3.295 20 30 CGEDHN N#Cc1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000894736063 619616878 /nfs/dbraw/zinc/61/68/78/619616878.db2.gz NRJXOCQVSXOKFS-GJZGRUSLSA-N 0 3 258.390 3.240 20 30 CGEDHN Cc1ccnc(N)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000895024586 619698903 /nfs/dbraw/zinc/69/89/03/619698903.db2.gz HZIHTOYOFQYKAB-QGZVFWFLSA-N 0 3 292.386 3.011 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCc1ccc(OC)cc1 ZINC000163366057 619709931 /nfs/dbraw/zinc/70/99/31/619709931.db2.gz VMEAISBFPNGOEZ-GFCCVEGCSA-N 0 3 253.773 3.358 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895557844 619849638 /nfs/dbraw/zinc/84/96/38/619849638.db2.gz HYOSRSRDWBACIX-SNVBAGLBSA-N 0 3 265.788 3.339 20 30 CGEDHN C#CCC1(O)CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000895675056 619866834 /nfs/dbraw/zinc/86/68/34/619866834.db2.gz LFRXXOZWELTCCO-UHFFFAOYSA-N 0 3 295.382 3.297 20 30 CGEDHN Cc1ccc(C2=NO[C@H](CN[C@@H](C)CC(C)(C)C#N)C2)cc1 ZINC000895976412 619917454 /nfs/dbraw/zinc/91/74/54/619917454.db2.gz GJONGERKQXNLPC-HOCLYGCPSA-N 0 3 299.418 3.406 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](C)CCOC)c([O-])c1 ZINC000840709743 620106138 /nfs/dbraw/zinc/10/61/38/620106138.db2.gz FYMGIWPCAPQFLQ-RVAQLADHSA-N 0 3 292.423 3.330 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)CCS1 ZINC000896950693 620111843 /nfs/dbraw/zinc/11/18/43/620111843.db2.gz DWFPAHVRGHRZCH-PWSUYJOCSA-N 0 3 264.369 3.071 20 30 CGEDHN C=C1CCC(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000897240828 620168985 /nfs/dbraw/zinc/16/89/85/620168985.db2.gz RLFPVKAJUIZAJV-QZTJIDSGSA-N 0 3 298.430 3.294 20 30 CGEDHN COc1c(Cl)cccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000897481447 620347917 /nfs/dbraw/zinc/34/79/17/620347917.db2.gz DWVILDOEXKPCIV-ZYHUDNBSSA-N 0 3 264.756 3.130 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCC23CCCC3)n1 ZINC000897629958 620414210 /nfs/dbraw/zinc/41/42/10/620414210.db2.gz PSNJIBIWWLWPCJ-LBPRGKRZSA-N 0 3 261.394 3.217 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc(CCO)cc2)cc1 ZINC000898172711 620486257 /nfs/dbraw/zinc/48/62/57/620486257.db2.gz WCTWQKZHOKVWQS-UHFFFAOYSA-N 0 3 297.398 3.076 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cnn(CC2CCC2)c1 ZINC000898178317 620489916 /nfs/dbraw/zinc/48/99/16/620489916.db2.gz ALWGRBSRICQGAW-LXZKKBNFSA-N 0 3 286.423 3.416 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000787310675 620527165 /nfs/dbraw/zinc/52/71/65/620527165.db2.gz QPLLQUPBZOQYJB-CQSZACIVSA-N 0 3 262.372 3.432 20 30 CGEDHN Cc1nc2ccccc2n1CCNCc1csc(C#N)c1 ZINC000921508327 625465452 /nfs/dbraw/zinc/46/54/52/625465452.db2.gz OHFLUHNJTNFCLE-UHFFFAOYSA-N 0 3 296.399 3.068 20 30 CGEDHN C[C@@H](NCCCNc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902952223 621504011 /nfs/dbraw/zinc/50/40/11/621504011.db2.gz VPQCOLYTSHZTDS-CYBMUJFWSA-N 0 3 298.365 3.245 20 30 CGEDHN COC[C@@H](CC(C)(C)C)N[C@H](C)c1cc(C#N)ccn1 ZINC000903043641 621541445 /nfs/dbraw/zinc/54/14/45/621541445.db2.gz DWNCRSPJIGRJAV-TZMCWYRMSA-N 0 3 275.396 3.055 20 30 CGEDHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)c1cscc1C#N ZINC000904940836 622024721 /nfs/dbraw/zinc/02/47/21/622024721.db2.gz UKDRVPGUTNKZQU-AWEZNQCLSA-N 0 3 297.383 3.059 20 30 CGEDHN CCCc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905084139 622033179 /nfs/dbraw/zinc/03/31/79/622033179.db2.gz HOWHXAUUXCVSCN-ZECSTPGPSA-N 0 3 267.332 3.072 20 30 CGEDHN CCc1cccc(Cl)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905085822 622033874 /nfs/dbraw/zinc/03/38/74/622033874.db2.gz PIDRHVZOQYUOPU-MKVDPYIPSA-N 0 3 287.750 3.335 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1C ZINC000911960358 622580072 /nfs/dbraw/zinc/58/00/72/622580072.db2.gz QFHJTXPIYVPVJD-GFCCVEGCSA-N 0 3 266.772 3.271 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000912352195 622637529 /nfs/dbraw/zinc/63/75/29/622637529.db2.gz MERXCDFUDHHITB-ZBFHGGJFSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000912352187 622638193 /nfs/dbraw/zinc/63/81/93/622638193.db2.gz MDPMUCNRLICQSQ-HOCLYGCPSA-N 0 3 274.408 3.198 20 30 CGEDHN CCCCCCC[C@H](C)N[C@H](C)c1nncn1C ZINC000059446008 623008476 /nfs/dbraw/zinc/00/84/76/623008476.db2.gz JEVMBQWOEYDINQ-QWHCGFSZSA-N 0 3 252.406 3.215 20 30 CGEDHN CCN(Cc1cc(Cl)cc(C#N)c1)C[C@@H]1CCCO1 ZINC000929417526 623371091 /nfs/dbraw/zinc/37/10/91/623371091.db2.gz AJVWJYVEFCPBHW-HNNXBMFYSA-N 0 3 278.783 3.213 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2CO)cc1 ZINC000151786142 623568044 /nfs/dbraw/zinc/56/80/44/623568044.db2.gz OCMIYGOBKICZHO-HNNXBMFYSA-N 0 3 295.382 3.042 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993327680 624025848 /nfs/dbraw/zinc/02/58/48/624025848.db2.gz NJWPZZWGXBDIBC-SWLSCSKDSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015673996 624055812 /nfs/dbraw/zinc/05/58/12/624055812.db2.gz SUKOPWVDHWDZIL-QGZVFWFLSA-N 0 3 298.430 3.042 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993698661 624058834 /nfs/dbraw/zinc/05/88/34/624058834.db2.gz AUDBZIJDLPRBPM-GOEBONIOSA-N 0 3 290.451 3.112 20 30 CGEDHN C#Cc1cccc(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000920276710 624465220 /nfs/dbraw/zinc/46/52/20/624465220.db2.gz KYJSKIBWDRVRQV-KRWDZBQOSA-N 0 3 284.403 3.117 20 30 CGEDHN C[C@@]1(CNCc2csc(C#N)c2)OCCc2ccccc21 ZINC000922335375 625999672 /nfs/dbraw/zinc/99/96/72/625999672.db2.gz RCPIHUYTGSNNFN-KRWDZBQOSA-N 0 3 298.411 3.197 20 30 CGEDHN COCc1cccc(CNCc2ccc(C)c(C#N)c2)c1 ZINC000922759055 626043197 /nfs/dbraw/zinc/04/31/97/626043197.db2.gz KIZREFYUMJHGED-UHFFFAOYSA-N 0 3 280.371 3.303 20 30 CGEDHN C#CCC1(NCc2nc(C(C)C)c[nH]2)CCCCC1 ZINC000922981288 626114613 /nfs/dbraw/zinc/11/46/13/626114613.db2.gz LMXVCSGKYNAEMI-UHFFFAOYSA-N 0 3 259.397 3.349 20 30 CGEDHN C#CCC1(NCc2nc3ccc(Cl)cc3n2C)CCC1 ZINC000922998380 626117228 /nfs/dbraw/zinc/11/72/28/626117228.db2.gz UEEQFFVCJMZSPJ-UHFFFAOYSA-N 0 3 287.794 3.262 20 30 CGEDHN C#CCC1(NCc2cnc(-c3ccccc3)nc2)CCC1 ZINC000923001577 626117860 /nfs/dbraw/zinc/11/78/60/626117860.db2.gz UQMFVYMEXJOVLN-UHFFFAOYSA-N 0 3 277.371 3.179 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(Cl)cc2)CC1 ZINC001006324441 626181755 /nfs/dbraw/zinc/18/17/55/626181755.db2.gz YPPIEHIFMBCOPP-UHFFFAOYSA-N 0 3 292.810 3.062 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000752089626 626418319 /nfs/dbraw/zinc/41/83/19/626418319.db2.gz WVZNTYXTYZGGGM-NEPJUHHUSA-N 0 3 278.783 3.473 20 30 CGEDHN C[C@H]1CN(C)CC1N=Nc1cccc(C(F)(F)F)c1 ZINC000752158124 626420398 /nfs/dbraw/zinc/42/03/98/626420398.db2.gz VHWLUMRMERVUPS-VIFPVBQESA-N 0 3 271.286 3.055 20 30 CGEDHN C#CCOCCNC(c1ccccc1)c1ccccc1 ZINC000753767284 626465316 /nfs/dbraw/zinc/46/53/16/626465316.db2.gz JWDNBUDWQRWZPE-UHFFFAOYSA-N 0 3 265.356 3.015 20 30 CGEDHN COC[C@@H](NCc1cc(Cl)ccc1OCC#N)C(C)C ZINC000754382136 626570064 /nfs/dbraw/zinc/57/00/64/626570064.db2.gz DQQMESPBBOQCMX-CQSZACIVSA-N 0 3 296.798 3.003 20 30 CGEDHN C=C(C)[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)OCC ZINC000756520963 626711949 /nfs/dbraw/zinc/71/19/49/626711949.db2.gz UIRFBTYVPGLNGP-MLGOLLRUSA-N 0 3 298.342 3.375 20 30 CGEDHN C#CCSCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756742144 626729485 /nfs/dbraw/zinc/72/94/85/626729485.db2.gz ZQFAWSLTGFPLTE-ZYHUDNBSSA-N 0 3 279.380 3.036 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000839573851 626762535 /nfs/dbraw/zinc/76/25/35/626762535.db2.gz GYYFUUMGBYAMCO-ZDUSSCGKSA-N 0 3 295.427 3.058 20 30 CGEDHN Cc1ccn(CN(CC2CC2)C2CCCCC2)c(=O)c1C#N ZINC000758220353 626834015 /nfs/dbraw/zinc/83/40/15/626834015.db2.gz OEWNIUAYGZVBIW-UHFFFAOYSA-N 0 3 299.418 3.031 20 30 CGEDHN C#CCOc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000758633179 626851965 /nfs/dbraw/zinc/85/19/65/626851965.db2.gz SSVVXJWIBPXJGQ-IBGZPJMESA-N 0 3 292.382 3.335 20 30 CGEDHN C#CCN(Cc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000758700763 626855510 /nfs/dbraw/zinc/85/55/10/626855510.db2.gz ZSVIGTDZIHZOSK-UHFFFAOYSA-N 0 3 270.351 3.465 20 30 CGEDHN C#CCCN(CCOC)Cc1ccccc1C(F)(F)F ZINC000760817661 626993685 /nfs/dbraw/zinc/99/36/85/626993685.db2.gz AXYJAUDYEAFBBE-UHFFFAOYSA-N 0 3 285.309 3.177 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(COCC)c1)C(C)(C)C ZINC000809780913 627072150 /nfs/dbraw/zinc/07/21/50/627072150.db2.gz AGHQHBQLOXCTPE-QGZVFWFLSA-N 0 3 289.419 3.369 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000766572234 627344708 /nfs/dbraw/zinc/34/47/08/627344708.db2.gz OFKUOFCXSRJKNC-CHWSQXEVSA-N 0 3 255.365 3.406 20 30 CGEDHN C#CCOc1ccccc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000769141804 627525521 /nfs/dbraw/zinc/52/55/21/627525521.db2.gz MCSRSYHQPDHHJD-OKILXGFUSA-N 0 3 275.417 3.024 20 30 CGEDHN C#CCN(Cc1ccc(OC)c(O)c1)C1CCCCC1 ZINC000769146414 627526172 /nfs/dbraw/zinc/52/61/72/627526172.db2.gz XCDOQDREPMFEFA-UHFFFAOYSA-N 0 3 273.376 3.169 20 30 CGEDHN C#CCCOc1ccc(CN2CCS[C@@H](CC)C2)cc1 ZINC000769445586 627553037 /nfs/dbraw/zinc/55/30/37/627553037.db2.gz HAQRYSPNZGBQRL-KRWDZBQOSA-N 0 3 289.444 3.416 20 30 CGEDHN Cc1cccc(F)c1N=NC1CN(C2CC2)C[C@@H]1C ZINC000769827495 627581988 /nfs/dbraw/zinc/58/19/88/627581988.db2.gz ALRWEWRDCVOJDL-NSHDSACASA-N 0 3 261.344 3.016 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(Br)c1C ZINC000769962222 627592777 /nfs/dbraw/zinc/59/27/77/627592777.db2.gz VHADEPBKNWRCDM-JTQLQIEISA-N 0 3 266.182 3.211 20 30 CGEDHN c1ccc(CNN=C2CCCNc3ccccc32)cc1 ZINC000774344941 627980317 /nfs/dbraw/zinc/98/03/17/627980317.db2.gz NSUIMVJMCRPXIR-UHFFFAOYSA-N 0 3 265.360 3.386 20 30 CGEDHN C=CC[C@H](CO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000774828228 628036109 /nfs/dbraw/zinc/03/61/09/628036109.db2.gz SQAOWDRHOSMQQW-HNNXBMFYSA-N 0 3 297.398 3.333 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000775184991 628070922 /nfs/dbraw/zinc/07/09/22/628070922.db2.gz UNECEMILBBVABU-HNNXBMFYSA-N 0 3 289.382 3.479 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000775184037 628070999 /nfs/dbraw/zinc/07/09/99/628070999.db2.gz SVOFIQLUEJODSD-GFCCVEGCSA-N 0 3 267.319 3.358 20 30 CGEDHN Cc1nc2ccccn2c1CN[C@H](C)c1cccc(C#N)c1 ZINC000775335933 628083592 /nfs/dbraw/zinc/08/35/92/628083592.db2.gz UWJRPASUTWRSOA-CYBMUJFWSA-N 0 3 290.370 3.365 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCCCC#N ZINC000778166096 628330552 /nfs/dbraw/zinc/33/05/52/628330552.db2.gz YSQSCOSWROTEOT-UHFFFAOYSA-N 0 3 276.767 3.135 20 30 CGEDHN CC(=NN[C@H]1CCOC(C)(C)C1)c1ccccc1N(C)C ZINC000780247309 628470333 /nfs/dbraw/zinc/47/03/33/628470333.db2.gz QMPAHXVSMYPBRU-AWEZNQCLSA-N 0 3 289.423 3.024 20 30 CGEDHN C#CCN[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000780775323 628516401 /nfs/dbraw/zinc/51/64/01/628516401.db2.gz VAECMFUEKVOSHP-LJQANCHMSA-N 0 3 295.382 3.210 20 30 CGEDHN C[C@@H](NC[C@H]1CCC=CO1)c1ccc(C#N)cc1F ZINC000783310543 628702419 /nfs/dbraw/zinc/70/24/19/628702419.db2.gz PIUORKIDVOAGAY-DGCLKSJQSA-N 0 3 260.312 3.041 20 30 CGEDHN C#CCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786133828 628915990 /nfs/dbraw/zinc/91/59/90/628915990.db2.gz PNZFTZYWKLWGPC-HNNXBMFYSA-N 0 3 272.392 3.057 20 30 CGEDHN N#CC(C(=O)[C@H]1CCCOCC1)c1ccc2ccccc2n1 ZINC000786278550 628922028 /nfs/dbraw/zinc/92/20/28/628922028.db2.gz JLFFJIKNMUUWRF-GJZGRUSLSA-N 0 3 294.354 3.228 20 30 CGEDHN C=C(C)CN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787995697 629038204 /nfs/dbraw/zinc/03/82/04/629038204.db2.gz QAARNXDFYQAPNY-MRXNPFEDSA-N 0 3 280.412 3.038 20 30 CGEDHN N#Cc1c(Cl)cccc1SCCN1CCCC1 ZINC000789968331 629176826 /nfs/dbraw/zinc/17/68/26/629176826.db2.gz WFOYQQSCMTUODU-UHFFFAOYSA-N 0 3 266.797 3.400 20 30 CGEDHN CCC(=NNc1nccn1C)c1cc(Cl)ccc1OC ZINC000790302155 629201692 /nfs/dbraw/zinc/20/16/92/629201692.db2.gz NZGMXZSVUSDERP-UHFFFAOYSA-N 0 3 292.770 3.308 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000862442280 629374061 /nfs/dbraw/zinc/37/40/61/629374061.db2.gz BFKRPDQOCWZZIT-GFCCVEGCSA-N 0 3 293.794 3.202 20 30 CGEDHN C#CC[C@H]1CCN(Cc2sccc2Br)C1 ZINC000862445242 629378729 /nfs/dbraw/zinc/37/87/29/629378729.db2.gz OWPBFHUCAUPDSW-JTQLQIEISA-N 0 3 284.222 3.356 20 30 CGEDHN C#CC[C@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000862445648 629378972 /nfs/dbraw/zinc/37/89/72/629378972.db2.gz YUIROPZVWPWUEK-DXTPNHAXSA-N 0 3 261.315 3.323 20 30 CGEDHN C#CCCCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000792879568 629389556 /nfs/dbraw/zinc/38/95/56/629389556.db2.gz IWJNAHYSWUFMFW-GOSISDBHSA-N 0 3 269.388 3.370 20 30 CGEDHN CC[C@H](C)CON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000793158606 629418261 /nfs/dbraw/zinc/41/82/61/629418261.db2.gz JAKSISQBDMHBDQ-LSDHHAIUSA-N 0 3 290.407 3.308 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793230247 629432344 /nfs/dbraw/zinc/43/23/44/629432344.db2.gz FNWRAJWFOKJAQV-IUODEOHRSA-N 0 3 297.320 3.471 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CSC[C@@H]2C)c([O-])c1 ZINC000794675430 629564951 /nfs/dbraw/zinc/56/49/51/629564951.db2.gz BBUYDNICIULCRR-DWGCLGNMSA-N 0 3 292.448 3.409 20 30 CGEDHN CCc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000795795576 629715843 /nfs/dbraw/zinc/71/58/43/629715843.db2.gz OBOSWQKJVZJMSY-GOSISDBHSA-N 0 3 294.402 3.401 20 30 CGEDHN CCc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)[nH]n1 ZINC000795795576 629715847 /nfs/dbraw/zinc/71/58/47/629715847.db2.gz OBOSWQKJVZJMSY-GOSISDBHSA-N 0 3 294.402 3.401 20 30 CGEDHN Cc1ccc([C@@H](O)[C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000796486604 629789423 /nfs/dbraw/zinc/78/94/23/629789423.db2.gz PKSVZXVGYHLQRN-ACJLOTCBSA-N 0 3 298.361 3.218 20 30 CGEDHN N#CC1CCC(CNCc2occc2Br)CC1 ZINC000799343285 630172188 /nfs/dbraw/zinc/17/21/88/630172188.db2.gz CSSKWPFQVJRTHZ-UHFFFAOYSA-N 0 3 297.196 3.462 20 30 CGEDHN CCCCN(Cc1ccccc1O)CC1(C#N)CC1 ZINC000801594803 630346904 /nfs/dbraw/zinc/34/69/04/630346904.db2.gz OTNTZJALRMXFIG-UHFFFAOYSA-N 0 3 258.365 3.298 20 30 CGEDHN CC(C)CN(CCO[C@H](C)C#N)Cc1ccccc1F ZINC000801915235 630365932 /nfs/dbraw/zinc/36/59/32/630365932.db2.gz LMAKCIMPSWPSFP-CQSZACIVSA-N 0 3 278.371 3.212 20 30 CGEDHN C[C@@H](C#N)OCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000801920276 630367113 /nfs/dbraw/zinc/36/71/13/630367113.db2.gz OQWJNAYACSAPOQ-AWEZNQCLSA-N 0 3 288.391 3.065 20 30 CGEDHN C[C@@H](C#N)OCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000801920276 630367117 /nfs/dbraw/zinc/36/71/17/630367117.db2.gz OQWJNAYACSAPOQ-AWEZNQCLSA-N 0 3 288.391 3.065 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)[C@H]1CCCO1 ZINC000808713158 630669297 /nfs/dbraw/zinc/66/92/97/630669297.db2.gz FMPCIZZWHCQAFW-VJUNAUMWSA-N 0 3 255.361 3.005 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(F)c(C)c2)cc1 ZINC000809603552 630759733 /nfs/dbraw/zinc/75/97/33/630759733.db2.gz QYMYLAJMLRYERY-UHFFFAOYSA-N 0 3 253.320 3.405 20 30 CGEDHN C#Cc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000809629735 630767840 /nfs/dbraw/zinc/76/78/40/630767840.db2.gz CPCJPVUAMUZQLH-GOSISDBHSA-N 0 3 262.356 3.304 20 30 CGEDHN C#C[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000809684009 630779471 /nfs/dbraw/zinc/77/94/71/630779471.db2.gz VZHAQXKITXBZSG-OAHLLOKOSA-N 0 3 290.366 3.249 20 30 CGEDHN C#C[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000809684008 630780013 /nfs/dbraw/zinc/78/00/13/630780013.db2.gz VZHAQXKITXBZSG-HNNXBMFYSA-N 0 3 290.366 3.249 20 30 CGEDHN C#C[C@H](NCc1cccc(OC(F)F)c1)C(C)C ZINC000809684727 630780628 /nfs/dbraw/zinc/78/06/28/630780628.db2.gz LIZYGJAJZDBSGV-ZDUSSCGKSA-N 0 3 253.292 3.035 20 30 CGEDHN C#C[C@@H](NCc1ccc(OCOCC)cc1)C(C)(C)C ZINC000809781621 630806409 /nfs/dbraw/zinc/80/64/09/630806409.db2.gz XKIQSNOVSRCQLF-MRXNPFEDSA-N 0 3 275.392 3.197 20 30 CGEDHN C#C[C@H](NCc1c(C)nn(C(C)(C)C)c1C)C(C)(C)C ZINC000809782439 630807780 /nfs/dbraw/zinc/80/77/80/630807780.db2.gz UEYCLMHSAXOAPJ-HNNXBMFYSA-N 0 3 275.440 3.392 20 30 CGEDHN C#C[C@H](NCc1c[nH]c(-c2ccccc2)n1)C(C)(C)C ZINC000809782164 630807890 /nfs/dbraw/zinc/80/78/90/630807890.db2.gz JLWXNHUHAMZHAO-HNNXBMFYSA-N 0 3 267.376 3.214 20 30 CGEDHN C#C[C@H](NCc1cnc(-c2ccccc2)[nH]1)C(C)(C)C ZINC000809782164 630807892 /nfs/dbraw/zinc/80/78/92/630807892.db2.gz JLWXNHUHAMZHAO-HNNXBMFYSA-N 0 3 267.376 3.214 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Br)nc1 ZINC000810238213 630858093 /nfs/dbraw/zinc/85/80/93/630858093.db2.gz OJGJNLZDJUAGEG-JTQLQIEISA-N 0 3 294.196 3.189 20 30 CGEDHN COC(=O)/C(C)=C/CN[C@@H](CCCC#N)c1ccccc1 ZINC000814660416 631617616 /nfs/dbraw/zinc/61/76/16/631617616.db2.gz UTOJRJWFVPKUIV-UKYUDJEDSA-N 0 3 286.375 3.130 20 30 CGEDHN C#CCN(CCC1(OC)CCC1)Cc1ccccc1 ZINC000815118046 631721724 /nfs/dbraw/zinc/72/17/24/631721724.db2.gz XBJOROXNEAIPFT-UHFFFAOYSA-N 0 3 257.377 3.081 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1nc2ccccc2[nH]1 ZINC000817714976 632205377 /nfs/dbraw/zinc/20/53/77/632205377.db2.gz YWJKPOKCKDQTLG-FDYHWXHSSA-N 0 3 279.343 3.175 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)nc1 ZINC000818355508 632312670 /nfs/dbraw/zinc/31/26/70/632312670.db2.gz GZVFJMBVPDQRKW-JBLDHEPKSA-N 0 3 294.196 3.187 20 30 CGEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)CC1CCCCC1 ZINC000818588882 632338940 /nfs/dbraw/zinc/33/89/40/632338940.db2.gz IHVOETIZMOSUIE-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCSCCNCc1ccccc1OC(F)F ZINC000105462546 635833896 /nfs/dbraw/zinc/83/38/96/635833896.db2.gz IQMRYTAVBIGYBX-UHFFFAOYSA-N 0 3 273.348 3.297 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@@H](N[C@H]1CCCc3scnc31)C2 ZINC000866617018 633216098 /nfs/dbraw/zinc/21/60/98/633216098.db2.gz WWYBNXJNVUXHLV-GJZGRUSLSA-N 0 3 295.411 3.149 20 30 CGEDHN C=CCCCC(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867990768 633285372 /nfs/dbraw/zinc/28/53/72/633285372.db2.gz ZYSWJOCITBYLAS-HNNXBMFYSA-N 0 3 258.365 3.168 20 30 CGEDHN C=CC(C)(C)CNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000824790109 633291379 /nfs/dbraw/zinc/29/13/79/633291379.db2.gz MMLUHZNLGQDWQY-UHFFFAOYSA-N 0 3 295.736 3.394 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000876586491 634862726 /nfs/dbraw/zinc/86/27/26/634862726.db2.gz AFNFAKUCIWAQBV-BXKDBHETSA-N 0 3 286.828 3.012 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000876591958 634864532 /nfs/dbraw/zinc/86/45/32/634864532.db2.gz DBFBVLISOLROSK-ZIAGYGMSSA-N 0 3 294.826 3.360 20 30 CGEDHN C=C(C)CN(CC)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827726207 633513367 /nfs/dbraw/zinc/51/33/67/633513367.db2.gz VIWOAWBKFANUJJ-HNNXBMFYSA-N 0 3 280.412 3.038 20 30 CGEDHN CN(CCc1ccc(C#N)cc1)Cc1cc(C#N)cs1 ZINC000827807147 633519722 /nfs/dbraw/zinc/51/97/22/633519722.db2.gz YPKBAWCQEAHVHM-UHFFFAOYSA-N 0 3 281.384 3.166 20 30 CGEDHN C#CCCNC1(c2cc(Br)ccc2OC)CC1 ZINC000829452326 633735867 /nfs/dbraw/zinc/73/58/67/633735867.db2.gz JPLLGUFSLCOBFR-UHFFFAOYSA-N 0 3 294.192 3.060 20 30 CGEDHN C#CC[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000829810063 633793042 /nfs/dbraw/zinc/79/30/42/633793042.db2.gz LJUILUGLDPHJLB-BLLLJJGKSA-N 0 3 295.785 3.248 20 30 CGEDHN C#CC1CCN(Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000830305422 633848284 /nfs/dbraw/zinc/84/82/84/633848284.db2.gz NOOIPHNYKFPNOB-UHFFFAOYSA-N 0 3 296.370 3.195 20 30 CGEDHN Cc1nnc(C)n1N=C/C=C/c1cc(C)c(C)cc1C ZINC000872336038 634110521 /nfs/dbraw/zinc/11/05/21/634110521.db2.gz OAURVKPAQCBMMK-ZMMYVEGFSA-N 0 3 268.364 3.368 20 30 CGEDHN CCCC(=NNc1ccnc(C)c1)c1cc(C)ccn1 ZINC000872393539 634130755 /nfs/dbraw/zinc/13/07/55/634130755.db2.gz ZFGJINUYXMAKHZ-UHFFFAOYSA-N 0 3 268.364 3.132 20 30 CGEDHN CN(C)c1ccc(/C=C\C=NNC[C@H]2CCSC2)cc1 ZINC000834979026 634302027 /nfs/dbraw/zinc/30/20/27/634302027.db2.gz FEBFIJOBOJDUNC-HLJVHZDYSA-N 0 3 289.448 3.094 20 30 CGEDHN C#Cc1ccc(CN(Cc2cnn(C)c2)CC(C)C)cc1 ZINC000835077470 634346429 /nfs/dbraw/zinc/34/64/29/634346429.db2.gz UCAJWVKUOPNCEN-UHFFFAOYSA-N 0 3 281.403 3.060 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)NC(CC(C)C)CC(C)C ZINC000876648086 634874304 /nfs/dbraw/zinc/87/43/04/634874304.db2.gz MURAPHSIEXGAEW-CYBMUJFWSA-N 0 3 274.836 3.033 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@H]1CC(C)C ZINC000876674885 634878995 /nfs/dbraw/zinc/87/89/95/634878995.db2.gz VSJGGWYCOBXCFL-UONOGXRCSA-N 0 3 286.847 3.274 20 30 CGEDHN CC(C)(C)CCNCc1cc(C#N)cnc1Cl ZINC000876919842 634928510 /nfs/dbraw/zinc/92/85/10/634928510.db2.gz ZXGKMKGNNUSPCZ-UHFFFAOYSA-N 0 3 251.761 3.132 20 30 CGEDHN CC1(CNCc2cc(C#N)cnc2Cl)CCCC1 ZINC000877027873 634954791 /nfs/dbraw/zinc/95/47/91/634954791.db2.gz UKNGXTJNPHKNLZ-UHFFFAOYSA-N 0 3 263.772 3.277 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC000877053201 634964979 /nfs/dbraw/zinc/96/49/79/634964979.db2.gz GKBARDXMLQXYSN-GJZGRUSLSA-N 0 3 294.826 3.278 20 30 CGEDHN CC1(C)CCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877078661 634975844 /nfs/dbraw/zinc/97/58/44/634975844.db2.gz YJOMLSQQZJWDQB-LBPRGKRZSA-N 0 3 263.772 3.275 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000877230042 635016424 /nfs/dbraw/zinc/01/64/24/635016424.db2.gz VUNFYQARLBZBCI-LBPRGKRZSA-N 0 3 299.296 3.113 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC000877261451 635018142 /nfs/dbraw/zinc/01/81/42/635018142.db2.gz NGMLNGSALNZRPO-LBPRGKRZSA-N 0 3 282.746 3.112 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(Cl)nc1 ZINC000840785654 635052371 /nfs/dbraw/zinc/05/23/71/635052371.db2.gz JWTKJTSBLXYVOT-SNVBAGLBSA-N 0 3 251.761 3.325 20 30 CGEDHN N#CC1CCC(CNCc2nc(Cl)cs2)CC1 ZINC000877501959 635063975 /nfs/dbraw/zinc/06/39/75/635063975.db2.gz XMXPSMADUSEOCV-UHFFFAOYSA-N 0 3 269.801 3.216 20 30 CGEDHN C#C[C@H](NCCC[C@H]1CCO1)c1ccc(Cl)cc1 ZINC000877542418 635080439 /nfs/dbraw/zinc/08/04/39/635080439.db2.gz YNMLMRGMMLEAFL-GJZGRUSLSA-N 0 3 263.768 3.173 20 30 CGEDHN C=CCN(C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000840937617 635086059 /nfs/dbraw/zinc/08/60/59/635086059.db2.gz KSYYOYVFRRNRNZ-UHFFFAOYSA-N 0 3 277.364 3.019 20 30 CGEDHN C[C@H](CCC#N)CNCc1c(F)cc(F)cc1F ZINC000877553123 635086380 /nfs/dbraw/zinc/08/63/80/635086380.db2.gz XXKYFEBOIITTGF-SECBINFHSA-N 0 3 256.271 3.133 20 30 CGEDHN C#CCCCCCCN1CCO[C@@H](C(F)(F)F)CC1 ZINC000877821210 635224831 /nfs/dbraw/zinc/22/48/31/635224831.db2.gz LYTWFZUAZMTYMB-CYBMUJFWSA-N 0 3 277.330 3.223 20 30 CGEDHN C=CCN(CC[C@@H](O)C(C)C)Cc1cccs1 ZINC000877907372 635262573 /nfs/dbraw/zinc/26/25/73/635262573.db2.gz YHKLUCKWTDXROK-CQSZACIVSA-N 0 3 253.411 3.143 20 30 CGEDHN COCCCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000842171936 635304494 /nfs/dbraw/zinc/30/44/94/635304494.db2.gz DEZRJDXXXJZWHX-UHFFFAOYSA-N 0 3 296.798 3.101 20 30 CGEDHN N#CCCCOC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842330461 635330583 /nfs/dbraw/zinc/33/05/83/635330583.db2.gz HTQIWDFBKZOVHK-UHFFFAOYSA-N 0 3 286.375 3.133 20 30 CGEDHN N#CCCN(CC[C@H]1CCCC1(F)F)CC1CC1 ZINC000878159759 635385008 /nfs/dbraw/zinc/38/50/08/635385008.db2.gz UEVONTDHBLLOJC-CYBMUJFWSA-N 0 3 256.340 3.438 20 30 CGEDHN C#CC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000843426762 635671017 /nfs/dbraw/zinc/67/10/17/635671017.db2.gz JWSDFWOVNHOSKK-ARJAWSKDSA-N 0 3 261.315 3.323 20 30 CGEDHN CCC(O)(CC)C(C)(C)NCc1ccc(F)cc1C#N ZINC000879698239 635838046 /nfs/dbraw/zinc/83/80/46/635838046.db2.gz MTZNDAUYWPWUCW-UHFFFAOYSA-N 0 3 278.371 3.117 20 30 CGEDHN C#CCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844473238 635913127 /nfs/dbraw/zinc/91/31/27/635913127.db2.gz WNTZMKDBHCOCOV-ULQDDVLXSA-N 0 3 255.361 3.004 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)NCC1(C#N)CCCC1 ZINC000846011451 636129048 /nfs/dbraw/zinc/12/90/48/636129048.db2.gz VSOAYESSNUOPKX-ZDUSSCGKSA-N 0 3 260.356 3.430 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@@H](OC(C)C)C1 ZINC000846014370 636130103 /nfs/dbraw/zinc/13/01/03/636130103.db2.gz IXZSCKAIXIRSSX-QGZVFWFLSA-N 0 3 287.403 3.088 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3nc(C)sc3c2)C1 ZINC000848924709 636697011 /nfs/dbraw/zinc/69/70/11/636697011.db2.gz YKMVJBCRLIDSEZ-CYBMUJFWSA-N 0 3 270.401 3.450 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000848924706 636698146 /nfs/dbraw/zinc/69/81/46/636698146.db2.gz YJGFFSULJOIBNK-QGZVFWFLSA-N 0 3 293.414 3.334 20 30 CGEDHN C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000883392633 636737220 /nfs/dbraw/zinc/73/72/20/636737220.db2.gz LQILRJWRFUURMS-AAEUAGOBSA-N 0 3 283.799 3.332 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(Cl)s2)CC1 ZINC001006370353 636865158 /nfs/dbraw/zinc/86/51/58/636865158.db2.gz PHJBHKPOJBKLHZ-UHFFFAOYSA-N 0 3 298.839 3.124 20 30 CGEDHN C=CCCN[C@H](C)c1cc(Br)ncc1F ZINC000850501465 637092171 /nfs/dbraw/zinc/09/21/71/637092171.db2.gz CWJJWZOYNBBFMI-MRVPVSSYSA-N 0 3 273.149 3.210 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850738052 637135932 /nfs/dbraw/zinc/13/59/32/637135932.db2.gz CTBCLPZXCWLXAC-REWJHTLYSA-N 0 3 293.370 3.186 20 30 CGEDHN C=C(C)[C@@H](NCCC(OC)OC)c1ccc(F)c(F)c1 ZINC000851946300 637557251 /nfs/dbraw/zinc/55/72/51/637557251.db2.gz KYQHDLIJLBGVNW-OAHLLOKOSA-N 0 3 285.334 3.181 20 30 CGEDHN C#C[C@](C)(CC)NCc1ccc(SC(=O)N(C)C)cc1 ZINC000852100932 637595871 /nfs/dbraw/zinc/59/58/71/637595871.db2.gz BSGHXVANISTCKQ-MRXNPFEDSA-N 0 3 290.432 3.352 20 30 CGEDHN C#C[C@](C)(CC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000852104522 637596821 /nfs/dbraw/zinc/59/68/21/637596821.db2.gz JMUQQTIGGGMRNL-CQSZACIVSA-N 0 3 280.293 3.469 20 30 CGEDHN N#CC1(CCCCN2CCOC3(CCC3)C2)CCC1 ZINC000930145409 638228397 /nfs/dbraw/zinc/22/83/97/638228397.db2.gz ZWBRGHCXEIHVID-UHFFFAOYSA-N 0 3 262.397 3.105 20 30 CGEDHN C=CCCCCCCNCc1cn(C)nc1Cl ZINC000856789046 638390940 /nfs/dbraw/zinc/39/09/40/638390940.db2.gz ZVSBIWFAEOXXBW-UHFFFAOYSA-N 0 3 255.793 3.300 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857915159 638603287 /nfs/dbraw/zinc/60/32/87/638603287.db2.gz BKHFWTQHZDEZEX-LLVKDONJSA-N 0 3 263.772 3.252 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858049361 638621873 /nfs/dbraw/zinc/62/18/73/638621873.db2.gz ZMNYHFBXCYOKRH-INIZCTEOSA-N 0 3 299.418 3.352 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926526934 638781237 /nfs/dbraw/zinc/78/12/37/638781237.db2.gz OFSZWTANIYUZTM-MCIONIFRSA-N 0 3 278.783 3.046 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(CO)on1 ZINC000926592029 638789204 /nfs/dbraw/zinc/78/92/04/638789204.db2.gz QWSBSKAYDXTEBR-ZFWWWQNUSA-N 0 3 286.375 3.005 20 30 CGEDHN C=CCCSCCN[C@H](C)c1c(C)noc1C ZINC000926686042 638798488 /nfs/dbraw/zinc/79/84/88/638798488.db2.gz RLCFRUPGUZRIFD-SNVBAGLBSA-N 0 3 254.399 3.251 20 30 CGEDHN C=CC(C)(C)CCCN[C@H](C)c1nn(CC)nc1C ZINC000926823514 638815172 /nfs/dbraw/zinc/81/51/72/638815172.db2.gz RYQMMUMRJRDTBR-GFCCVEGCSA-N 0 3 264.417 3.249 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCc3cccnc32)C1 ZINC000927061979 638836407 /nfs/dbraw/zinc/83/64/07/638836407.db2.gz VTIMDYLILFJMSG-VHDGCEQUSA-N 0 3 255.365 3.131 20 30 CGEDHN C=CCN(C/C=C(/C)COC)Cc1ccc(OC)cc1 ZINC000929315608 638918136 /nfs/dbraw/zinc/91/81/36/638918136.db2.gz AVEFOZRDKJSFHK-GDNBJRDFSA-N 0 3 275.392 3.276 20 30 CGEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cncc(C#N)c2)C1 ZINC000929751356 638946825 /nfs/dbraw/zinc/94/68/25/638946825.db2.gz TVHOJXKUYYHHHV-HUUCEWRRSA-N 0 3 275.421 3.059 20 30 CGEDHN C[C@@]1(CCCO)CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930160162 638978191 /nfs/dbraw/zinc/97/81/91/638978191.db2.gz KWXYKGBOMHSQTO-INIZCTEOSA-N 0 3 292.810 3.339 20 30 CGEDHN CCC#C[C@H](C)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932041617 639254914 /nfs/dbraw/zinc/25/49/14/639254914.db2.gz GUNFIXUZTCEBSO-INIZCTEOSA-N 0 3 299.414 3.232 20 30 CGEDHN C#CCC1(NCc2cc(C(C)=O)ccc2OCC)CCC1 ZINC000933303273 639437199 /nfs/dbraw/zinc/43/71/99/639437199.db2.gz MEEIEXRXLHABHB-UHFFFAOYSA-N 0 3 285.387 3.324 20 30 CGEDHN COc1ccc(CCN(C)Cc2cc(C#N)cs2)cc1 ZINC000933776123 639489349 /nfs/dbraw/zinc/48/93/49/639489349.db2.gz TZRBSTUVGNPTHZ-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN N#Cc1cccc(CN2CCCSC[C@H]2C2CC2)c1F ZINC000933915175 639505649 /nfs/dbraw/zinc/50/56/49/639505649.db2.gz OUVDIKCAONFOJE-HNNXBMFYSA-N 0 3 290.407 3.415 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1ccc(OC(F)F)c(OC)c1 ZINC000934472335 639615909 /nfs/dbraw/zinc/61/59/09/639615909.db2.gz LVYMJPJRPHZGTC-GFCCVEGCSA-N 0 3 283.318 3.447 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000934647456 639648241 /nfs/dbraw/zinc/64/82/41/639648241.db2.gz ZJEUPVYJHAMGDH-ZDUSSCGKSA-N 0 3 285.391 3.422 20 30 CGEDHN C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CCCN(C)C2)c1 ZINC000934886939 639702637 /nfs/dbraw/zinc/70/26/37/639702637.db2.gz NSDYIKKVOFGKQN-MRXNPFEDSA-N 0 3 287.407 3.278 20 30 CGEDHN CC(C)CCN(CCC#N)CC1CCC2(CC1)OCCO2 ZINC000190263330 640235820 /nfs/dbraw/zinc/23/58/20/640235820.db2.gz XEDHOXXCIVBYOO-UHFFFAOYSA-N 0 3 294.439 3.181 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001017866240 641017645 /nfs/dbraw/zinc/01/76/45/641017645.db2.gz QWJNVVWMVJUMFH-TWMKSMIVSA-N 0 3 290.451 3.064 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](CC)C(C)(C)C ZINC001156319199 805673762 /nfs/dbraw/zinc/67/37/62/805673762.db2.gz PVLOUQUDVHSCOD-CVEARBPZSA-N 0 3 294.483 3.299 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001156403608 805684292 /nfs/dbraw/zinc/68/42/92/805684292.db2.gz JWZLOQSDXZQKAB-JKSUJKDBSA-N 0 3 294.483 3.299 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C/C=C(\C)C=C ZINC001158335767 805940312 /nfs/dbraw/zinc/94/03/12/805940312.db2.gz BYDOBRCDLXWISO-AAGJOFLKSA-N 0 3 276.424 3.008 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCC(C)(C)C ZINC001158631389 805979249 /nfs/dbraw/zinc/97/92/49/805979249.db2.gz NZXFZEBMHNLNTK-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CCC[C@@H](C)CCC ZINC001158822895 806007806 /nfs/dbraw/zinc/00/78/06/806007806.db2.gz SJBKUXRQQCFKBB-ZDUSSCGKSA-N 0 3 288.863 3.441 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cccnc1OC ZINC001252135560 806021895 /nfs/dbraw/zinc/02/18/95/806021895.db2.gz FKEBRNZVYRNYBF-MRXNPFEDSA-N 0 3 294.439 3.291 20 30 CGEDHN N#Cc1cnn(-c2cccc(Cl)c2)c1NC1=CNCCC1 ZINC001159274476 806071519 /nfs/dbraw/zinc/07/15/19/806071519.db2.gz KSPDFRBSPMXFMU-UHFFFAOYSA-N 0 3 299.765 3.034 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCc1ccncn1 ZINC001252985968 806147276 /nfs/dbraw/zinc/14/72/76/806147276.db2.gz JPYKCEKQTPBIHB-QGZVFWFLSA-N 0 3 293.455 3.458 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCc1ccnnc1 ZINC001252987466 806148199 /nfs/dbraw/zinc/14/81/99/806148199.db2.gz TUAJKXSAFXRWDD-KRWDZBQOSA-N 0 3 293.455 3.458 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ccc(C#N)o1 ZINC001253256345 806197678 /nfs/dbraw/zinc/19/76/78/806197678.db2.gz VRPIRNRNAAXKPA-CQSZACIVSA-N 0 3 276.380 3.128 20 30 CGEDHN N=C(NC1CCC(F)(F)CC1)c1ccc(Cl)cn1 ZINC001254211163 806366462 /nfs/dbraw/zinc/36/64/62/806366462.db2.gz MHUOWKKYNQBNDH-UHFFFAOYSA-N 0 3 273.714 3.018 20 30 CGEDHN N#Cc1ccc2c(c1)CN(C1CCC(F)(F)CC1)CC2 ZINC001254218614 806368904 /nfs/dbraw/zinc/36/89/04/806368904.db2.gz MZGYLQWMGVFSSW-UHFFFAOYSA-N 0 3 276.330 3.494 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2ccc(Cl)cn2)C2CC2)C1 ZINC001254654892 806477125 /nfs/dbraw/zinc/47/71/25/806477125.db2.gz BGCWAFFANOGTBR-WDBKCZKBSA-N 0 3 275.783 3.468 20 30 CGEDHN C#CCN([C@@H]1CC[C@H](C#N)C1)[C@@H]1CCc2ccccc21 ZINC001254668788 806479943 /nfs/dbraw/zinc/47/99/43/806479943.db2.gz LCONOOSMDLPPIT-YXJHDRRASA-N 0 3 264.372 3.301 20 30 CGEDHN CC[C@H](CC#N)NCC[C@@H]1CCc2ccc3c(c21)CCO3 ZINC001255156514 806556627 /nfs/dbraw/zinc/55/66/27/806556627.db2.gz KVYVJCQXHPOLCB-LSDHHAIUSA-N 0 3 284.403 3.323 20 30 CGEDHN CC[C@@H](CC#N)N1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001255180296 806571685 /nfs/dbraw/zinc/57/16/85/806571685.db2.gz ZYHNBSSTYATKTC-SFHVURJKSA-N 0 3 297.446 3.277 20 30 CGEDHN Cc1cc(CC#N)ccc1-n1c2ccccc2nc1[C@H](C)N ZINC001162776810 806663159 /nfs/dbraw/zinc/66/31/59/806663159.db2.gz CZKAARZNNMHUML-ZDUSSCGKSA-N 0 3 290.370 3.420 20 30 CGEDHN C=CCN[C@@H]1CCOc2ccc(Br)cc21 ZINC000037185045 798862103 /nfs/dbraw/zinc/86/21/03/798862103.db2.gz QHJPYYJQGCANMM-LLVKDONJSA-N 0 3 268.154 3.048 20 30 CGEDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)c([O-])c1 ZINC000037748338 798873015 /nfs/dbraw/zinc/87/30/15/798873015.db2.gz APZMAZFAXIBQAM-CYBMUJFWSA-N 0 3 266.344 3.423 20 30 CGEDHN N#CC(C(=O)CCCOc1cccc(F)c1)c1ccccn1 ZINC000125469872 799001156 /nfs/dbraw/zinc/00/11/56/799001156.db2.gz NSTSRDWDPPLQBP-HNNXBMFYSA-N 0 3 298.317 3.256 20 30 CGEDHN CCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000128366277 799018017 /nfs/dbraw/zinc/01/80/17/799018017.db2.gz ZWCMTDMRDNFZLQ-OAHLLOKOSA-N 0 3 286.375 3.477 20 30 CGEDHN Cc1cc(C)c(CN[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000397113705 799513295 /nfs/dbraw/zinc/51/32/95/799513295.db2.gz UVOJCYMBBOIGCJ-HNNXBMFYSA-N 0 3 295.386 3.452 20 30 CGEDHN C[C@@H](Cc1ccccc1F)N1CCC[C@H](CC#N)C1 ZINC001255851836 806768498 /nfs/dbraw/zinc/76/84/98/806768498.db2.gz XNNLIKLKLMCTIG-UONOGXRCSA-N 0 3 260.356 3.382 20 30 CGEDHN FC(F)Oc1ccccc1C=NOCCN1CCCCC1 ZINC000588596020 799719257 /nfs/dbraw/zinc/71/92/57/799719257.db2.gz AJGBSVBGWRYWJB-UHFFFAOYSA-N 0 3 298.333 3.124 20 30 CGEDHN C[C@@H]1CC[C@@H](NCc2cc(C#N)ccc2F)CS1 ZINC000689615468 799766482 /nfs/dbraw/zinc/76/64/82/799766482.db2.gz QKYUZAOKKPZFSE-ZWNOBZJWSA-N 0 3 264.369 3.071 20 30 CGEDHN Cc1ccc(CN[C@H](C)c2ccncc2)cc1C#N ZINC000701823267 799894802 /nfs/dbraw/zinc/89/48/02/799894802.db2.gz NKENPNJXXYSGLZ-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN C=CCC1(O)CCN(c2ccnc3ccccc32)CC1 ZINC000717462841 800201912 /nfs/dbraw/zinc/20/19/12/800201912.db2.gz XUXJAJFIRYXMPG-UHFFFAOYSA-N 0 3 268.360 3.142 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001023137529 800705455 /nfs/dbraw/zinc/70/54/55/800705455.db2.gz LFNHTSUOJVYQQO-ZHDOCJEPSA-N 0 3 298.858 3.048 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001024326344 800724719 /nfs/dbraw/zinc/72/47/19/800724719.db2.gz KGMHYXSDGLVDFU-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001024410503 800727047 /nfs/dbraw/zinc/72/70/47/800727047.db2.gz GQLWMBXQKWHYNS-KRWDZBQOSA-N 0 3 290.451 3.424 20 30 CGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1occc1Cl ZINC001024636206 800733751 /nfs/dbraw/zinc/73/37/51/800733751.db2.gz PCHJFEPFROFCEI-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341324 800845362 /nfs/dbraw/zinc/84/53/62/800845362.db2.gz IDXRJKKXBZSPLE-AWEZNQCLSA-N 0 3 290.407 3.173 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC ZINC001029456646 800869112 /nfs/dbraw/zinc/86/91/12/800869112.db2.gz KLBYVBQVVQQHMP-HLLBOEOZSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC1CCCC1 ZINC001032661083 800932665 /nfs/dbraw/zinc/93/26/65/800932665.db2.gz PVQOGSWHTIYGQL-PVAVHDDUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033101373 800952571 /nfs/dbraw/zinc/95/25/71/800952571.db2.gz FOJCHBVANFURAU-IAGOWNOFSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033236702 800955554 /nfs/dbraw/zinc/95/55/54/800955554.db2.gz BWOQVBMWTGSPFY-AWEZNQCLSA-N 0 3 292.448 3.087 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033679030 800972833 /nfs/dbraw/zinc/97/28/33/800972833.db2.gz RYTVEJWWOUGFCF-SFHVURJKSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001034127172 801006778 /nfs/dbraw/zinc/00/67/78/801006778.db2.gz IDQSGCYFNXCDLC-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034274331 801014856 /nfs/dbraw/zinc/01/48/56/801014856.db2.gz SZKBSVMNQCHCKV-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001034373495 801021560 /nfs/dbraw/zinc/02/15/60/801021560.db2.gz TUQVUJYHDBCDKE-INIZCTEOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498083 801030617 /nfs/dbraw/zinc/03/06/17/801030617.db2.gz HUQIXDALBAEISC-BRWVUGGUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001034538662 801031975 /nfs/dbraw/zinc/03/19/75/801031975.db2.gz UQLZUXVODOAIAR-FUHWJXTLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038284363 801123273 /nfs/dbraw/zinc/12/32/73/801123273.db2.gz OJXZODFJWSDCJA-CQSZACIVSA-N 0 3 298.386 3.121 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038658581 801130418 /nfs/dbraw/zinc/13/04/18/801130418.db2.gz PPBKDNOBIJHCHF-CQSZACIVSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038803032 801134578 /nfs/dbraw/zinc/13/45/78/801134578.db2.gz VUBCCJIPZCHGFG-SFHVURJKSA-N 0 3 296.414 3.026 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001038952989 801137605 /nfs/dbraw/zinc/13/76/05/801137605.db2.gz PUJBAVUJRLUUPL-QGZVFWFLSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001038945644 801138456 /nfs/dbraw/zinc/13/84/56/801138456.db2.gz TYEZACODMZLQDN-CYBMUJFWSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCCCC1 ZINC001039346451 801159537 /nfs/dbraw/zinc/15/95/37/801159537.db2.gz IXUIPNBXOGKZNU-SJORKVTESA-N 0 3 288.435 3.128 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)CC ZINC001039820372 801166552 /nfs/dbraw/zinc/16/65/52/801166552.db2.gz FQMUHXWXXMSSEJ-OAGGEKHMSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001039821265 801167221 /nfs/dbraw/zinc/16/72/21/801167221.db2.gz PLLIUHCASUUSSC-IYBDPMFKSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC001045607342 801281544 /nfs/dbraw/zinc/28/15/44/801281544.db2.gz UGJIIZRUIUQUJD-MAUKXSAKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001049701043 801386405 /nfs/dbraw/zinc/38/64/05/801386405.db2.gz YSPXBVLTXQSYJN-BZUAXINKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001049855786 801388349 /nfs/dbraw/zinc/38/83/49/801388349.db2.gz UJCLEAAYONRKON-QBPKDAKJSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049904975 801393548 /nfs/dbraw/zinc/39/35/48/801393548.db2.gz UVGZVTGJCADJJE-GJZGRUSLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071390521 801531660 /nfs/dbraw/zinc/53/16/60/801531660.db2.gz BJSDSUHWLSPMQO-WBVHZDCISA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccsc2C)CC[C@H]1C ZINC001071493310 801541223 /nfs/dbraw/zinc/54/12/23/801541223.db2.gz ACXZQGALWREUAX-TZMCWYRMSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071488130 801541567 /nfs/dbraw/zinc/54/15/67/801541567.db2.gz PUPQSUUOIKTHHQ-XJKSGUPXSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001080189724 801649214 /nfs/dbraw/zinc/64/92/14/801649214.db2.gz IUBWDQQFNJMXIE-RDTXWAMCSA-N 0 3 298.430 3.109 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001080672170 801654018 /nfs/dbraw/zinc/65/40/18/801654018.db2.gz LKEDRMWMXOPUQZ-QBPKDAKJSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C=CCC1 ZINC001085127438 801678054 /nfs/dbraw/zinc/67/80/54/801678054.db2.gz CWSDYOYHEKVMDN-RBSFLKMASA-N 0 3 296.842 3.112 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085706034 801702070 /nfs/dbraw/zinc/70/20/70/801702070.db2.gz FCHOUHZUWOQVJG-AWEZNQCLSA-N 0 3 292.448 3.087 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085775428 801702647 /nfs/dbraw/zinc/70/26/47/801702647.db2.gz VUGIEPPATYBKGD-INIZCTEOSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773366 801703807 /nfs/dbraw/zinc/70/38/07/801703807.db2.gz ATIKUYDJTSUZTG-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001085996530 801718448 /nfs/dbraw/zinc/71/84/48/801718448.db2.gz QHNNHSCUIGODQS-GPANFISMSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000184 801719419 /nfs/dbraw/zinc/71/94/19/801719419.db2.gz CTHUAZBCIRLXOQ-AWEZNQCLSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001086189238 801722746 /nfs/dbraw/zinc/72/27/46/801722746.db2.gz PQHUYNPCPVWLAY-KBXIAJHMSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1CC ZINC001087504297 801755649 /nfs/dbraw/zinc/75/56/49/801755649.db2.gz YYAULOWYSBXOGS-NWDGAFQWSA-N 0 3 296.798 3.092 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1CC ZINC001087850397 801771010 /nfs/dbraw/zinc/77/10/10/801771010.db2.gz CNKOMKHXDRGASK-UONOGXRCSA-N 0 3 292.467 3.214 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccco2)C1 ZINC001088250981 801777011 /nfs/dbraw/zinc/77/70/11/801777011.db2.gz FYZXUSDCLWNPET-CYBMUJFWSA-N 0 3 296.798 3.007 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2=CCCC2)C1 ZINC001088294704 801780871 /nfs/dbraw/zinc/78/08/71/801780871.db2.gz FPBDMDHMGQHKNJ-OAHLLOKOSA-N 0 3 296.842 3.210 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2CC)[C@H]1C ZINC001089057927 801818558 /nfs/dbraw/zinc/81/85/58/801818558.db2.gz SSJQIXDCBVDQSB-OCCSQVGLSA-N 0 3 292.448 3.079 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CC=CCC1)C2 ZINC001095461181 801882900 /nfs/dbraw/zinc/88/29/00/801882900.db2.gz BBJJGXDLTKLVEG-MUQADHOPSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C1CCCC1)C2 ZINC001096314249 801888367 /nfs/dbraw/zinc/88/83/67/801888367.db2.gz ZXHYBTJJZJHSCE-SIXLDLHFSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(C)c1)C2 ZINC001098320627 801909979 /nfs/dbraw/zinc/90/99/79/801909979.db2.gz COCNMGCIEIFDGF-KURKYZTESA-N 0 3 298.430 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001099098211 801928636 /nfs/dbraw/zinc/92/86/36/801928636.db2.gz LXIQCQVHYMUVLI-OAHLLOKOSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CC)CCCC2)C1 ZINC001100816949 801965373 /nfs/dbraw/zinc/96/53/73/801965373.db2.gz WVQSTJDUTSCFFZ-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001109596081 802116065 /nfs/dbraw/zinc/11/60/65/802116065.db2.gz FINSZIMHKPCNMM-XGUBFFRZSA-N 0 3 296.430 3.058 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC(C)C)C2 ZINC001109964154 802129769 /nfs/dbraw/zinc/12/97/69/802129769.db2.gz CHBUCJUWZMQAFI-NCOADZHNSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C(C)=C2CCCC2)CC1 ZINC001112761928 802187676 /nfs/dbraw/zinc/18/76/76/802187676.db2.gz RNZAIHHRWDCANR-OAHLLOKOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C=C(CC)CC)CC1 ZINC001112768198 802190351 /nfs/dbraw/zinc/19/03/51/802190351.db2.gz SEOARVOEAQFXCK-OAHLLOKOSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC001113003094 802198088 /nfs/dbraw/zinc/19/80/88/802198088.db2.gz QLGBDXMJRBXHIT-DLBZAZTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001113230266 802208238 /nfs/dbraw/zinc/20/82/38/802208238.db2.gz ZSSNZJAFJABGEM-HZPDHXFCSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCO[C@@H]1CCN(CCSc2ccccc2F)C1 ZINC001116542447 802375060 /nfs/dbraw/zinc/37/50/60/802375060.db2.gz SFYUCKSVHNPCSR-CYBMUJFWSA-N 0 3 281.396 3.195 20 30 CGEDHN C=C(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001123541323 802952088 /nfs/dbraw/zinc/95/20/88/802952088.db2.gz DLJPWSABSGXVIJ-KRWDZBQOSA-N 0 3 286.419 3.214 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCN1C(C)C ZINC001126141632 803085501 /nfs/dbraw/zinc/08/55/01/803085501.db2.gz NNUJRSBFIMDNSV-QGZVFWFLSA-N 0 3 292.467 3.454 20 30 CGEDHN N#CCc1cc(C(F)(F)F)ccc1C1=CNCCC1 ZINC001243950704 803096932 /nfs/dbraw/zinc/09/69/32/803096932.db2.gz LLEJILXKYCIGQN-UHFFFAOYSA-N 0 3 266.266 3.496 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001132667390 803425480 /nfs/dbraw/zinc/42/54/80/803425480.db2.gz KPBVPRKQNJDABJ-UONOGXRCSA-N 0 3 292.398 3.195 20 30 CGEDHN C=CCCCC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001133144931 803457752 /nfs/dbraw/zinc/45/77/52/803457752.db2.gz HVEVIXGAFYGYKO-LBPRGKRZSA-N 0 3 296.361 3.088 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@H](C(F)F)C2)cc1 ZINC001137120566 803684844 /nfs/dbraw/zinc/68/48/44/803684844.db2.gz UKKYLZANJABYJE-ZDUSSCGKSA-N 0 3 280.318 3.066 20 30 CGEDHN C[NH+](C)CCCOc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001245342034 803703925 /nfs/dbraw/zinc/70/39/25/803703925.db2.gz PYBIVEFXEVSZHM-UHFFFAOYSA-N 0 3 298.386 3.492 20 30 CGEDHN N#C[C@H]1CCCN(Cc2cnc3ccccc3c2)CC1 ZINC001137282601 803707670 /nfs/dbraw/zinc/70/76/70/803707670.db2.gz DWWVDDGQRYMZJL-AWEZNQCLSA-N 0 3 265.360 3.360 20 30 CGEDHN COCC1CN(Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138333439 803897464 /nfs/dbraw/zinc/89/74/64/803897464.db2.gz CEYRHXWWCIRSSP-UHFFFAOYSA-N 0 3 291.394 3.165 20 30 CGEDHN COc1cc(C)c(CN2CCC[C@@H](C#N)CC2)cc1OC ZINC001138442326 803937997 /nfs/dbraw/zinc/93/79/97/803937997.db2.gz LOXQOGZPSLZQST-CQSZACIVSA-N 0 3 288.391 3.138 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(C)(F)CC2)c1[O-] ZINC001138625860 803983543 /nfs/dbraw/zinc/98/35/43/803983543.db2.gz VFUPOBOZVHSCBI-UHFFFAOYSA-N 0 3 263.356 3.445 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCC(=C)C)C1 ZINC001138665886 803998702 /nfs/dbraw/zinc/99/87/02/803998702.db2.gz ZMCDJXZUYLFNGL-MRXNPFEDSA-N 0 3 269.388 3.487 20 30 CGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)CCCO2 ZINC001138718763 804015709 /nfs/dbraw/zinc/01/57/09/804015709.db2.gz KWEDJTYMMMYFDW-XGBSXSJOSA-N 0 3 282.387 3.278 20 30 CGEDHN COc1ccc2c(c1)c(CN1CCC[C@@H](C#N)CC1)cn2C ZINC001139147762 804138098 /nfs/dbraw/zinc/13/80/98/804138098.db2.gz PBLSOOCJNOVUGO-CQSZACIVSA-N 0 3 297.402 3.313 20 30 CGEDHN Cn1ccc2cc(CN3CCC(C)(C#N)CC3)ccc21 ZINC001139190771 804154196 /nfs/dbraw/zinc/15/41/96/804154196.db2.gz WBSITVZFPKDFRD-UHFFFAOYSA-N 0 3 267.376 3.304 20 30 CGEDHN C=CCn1cc(CN2CC[C@@H](c3ccccc3F)C2)cn1 ZINC001139770660 804278332 /nfs/dbraw/zinc/27/83/32/804278332.db2.gz VYSWEHCDTRETQB-OAHLLOKOSA-N 0 3 285.366 3.198 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H]4CCCO[C@H]4C3)c2c1 ZINC001140110783 804380569 /nfs/dbraw/zinc/38/05/69/804380569.db2.gz STYJUIKFMAOLDM-KDOFPFPSSA-N 0 3 295.386 3.040 20 30 CGEDHN O=C1C=C2CN(Cc3cccc(F)c3Cl)CCC2S1 ZINC001140561012 804460255 /nfs/dbraw/zinc/46/02/55/804460255.db2.gz NGNSEVXEZTYPOY-LBPRGKRZSA-N 0 3 297.782 3.253 20 30 CGEDHN N#Cc1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC001140808514 804525827 /nfs/dbraw/zinc/52/58/27/804525827.db2.gz UIKPAXGJBCFAGH-CHWSQXEVSA-N 0 3 260.768 3.444 20 30 CGEDHN CCCCCCCC[N@H+](C)Cc1c([O-])c(C)ncc1CO ZINC001140868159 804538721 /nfs/dbraw/zinc/53/87/21/804538721.db2.gz DPQVFJOLBCWLSR-UHFFFAOYSA-N 0 3 294.439 3.380 20 30 CGEDHN CCCCCCCC[N@@H+](C)Cc1c([O-])c(C)ncc1CO ZINC001140868159 804538725 /nfs/dbraw/zinc/53/87/25/804538725.db2.gz DPQVFJOLBCWLSR-UHFFFAOYSA-N 0 3 294.439 3.380 20 30 CGEDHN CCCC1CCN(Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249106877 805091193 /nfs/dbraw/zinc/09/11/93/805091193.db2.gz NPLQULFFRKBLRV-UHFFFAOYSA-N 0 3 282.391 3.218 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CCC[C@@H](C)CCC)C2)C1 ZINC001147625045 805140034 /nfs/dbraw/zinc/14/00/34/805140034.db2.gz NHYHXLWXUSFSGZ-INIZCTEOSA-N 0 3 292.467 3.313 20 30 CGEDHN CC[C@@H](C)c1nn(C)cc1CN1CCC(CC#N)CC1 ZINC001249408069 805141328 /nfs/dbraw/zinc/14/13/28/805141328.db2.gz WLVZIVIGWJUSLT-CYBMUJFWSA-N 0 3 274.412 3.059 20 30 CGEDHN CN(C)/C=N/c1ccc(NCCc2ccsc2)cc1C#N ZINC001166850536 807109051 /nfs/dbraw/zinc/10/90/51/807109051.db2.gz MTIKEXUJMYKWSH-XDHOZWIPSA-N 0 3 298.415 3.496 20 30 CGEDHN CCCCOC(=O)CC[C@H](C)NCc1csc(C#N)c1 ZINC001257389090 807136212 /nfs/dbraw/zinc/13/62/12/807136212.db2.gz WSMQKGJWQDLOOJ-LBPRGKRZSA-N 0 3 294.420 3.221 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001167583748 807209800 /nfs/dbraw/zinc/20/98/00/807209800.db2.gz PHAKSZWKGFQLSR-ZFWWWQNUSA-N 0 3 298.858 3.051 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN([C@H]2CCOC2)CC1 ZINC001258045269 807273901 /nfs/dbraw/zinc/27/39/01/807273901.db2.gz YQDHCWLKLKLBNH-SJORKVTESA-N 0 3 282.472 3.142 20 30 CGEDHN COC(=O)C1(C#N)CCN([C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258074188 807291530 /nfs/dbraw/zinc/29/15/30/807291530.db2.gz CLQNJWOWUZVUBB-LSDHHAIUSA-N 0 3 294.439 3.226 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001168166559 807329665 /nfs/dbraw/zinc/32/96/65/807329665.db2.gz LRDSHKSYNYVDMN-QWHCGFSZSA-N 0 3 288.863 3.153 20 30 CGEDHN N#CCC1CN(C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258541641 807491383 /nfs/dbraw/zinc/49/13/83/807491383.db2.gz SUCVEXQMOKOUDV-UHFFFAOYSA-N 0 3 289.810 3.154 20 30 CGEDHN C=CCC[C@H](C)NCc1c(F)ccc(OC)c1F ZINC001258720308 807568597 /nfs/dbraw/zinc/56/85/97/807568597.db2.gz YMENRSSBLFINGE-JTQLQIEISA-N 0 3 255.308 3.418 20 30 CGEDHN C=CCC[C@H](C)NCc1cc(OCC2CCC2)ncn1 ZINC001258722623 807570950 /nfs/dbraw/zinc/57/09/50/807570950.db2.gz LFIBAISJGVQNQW-ZDUSSCGKSA-N 0 3 275.396 3.100 20 30 CGEDHN C=CCC[C@@H](C)NCc1cn(Cc2ccccc2)cn1 ZINC001258723611 807572116 /nfs/dbraw/zinc/57/21/16/807572116.db2.gz AEGXZADHVAEETP-OAHLLOKOSA-N 0 3 269.392 3.376 20 30 CGEDHN CCN(Cc1ccccc1F)C[C@H](O)CC1(C#N)CCC1 ZINC001262077183 807818211 /nfs/dbraw/zinc/81/82/11/807818211.db2.gz VRGJXALXCLWVSP-OAHLLOKOSA-N 0 3 290.382 3.092 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC001263152857 807936328 /nfs/dbraw/zinc/93/63/28/807936328.db2.gz WBQGAHPTKUQLAF-WCQYABFASA-N 0 3 288.382 3.000 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC001263152855 807936690 /nfs/dbraw/zinc/93/66/90/807936690.db2.gz WBQGAHPTKUQLAF-AAEUAGOBSA-N 0 3 288.382 3.000 20 30 CGEDHN CCO[C@H](C(=O)C(C#N)c1cccc(F)n1)c1ccccc1 ZINC001263378062 807949028 /nfs/dbraw/zinc/94/90/28/807949028.db2.gz URIFSXWQVYMTQZ-GUYCJALGSA-N 0 3 298.317 3.175 20 30 CGEDHN C=CCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC1 ZINC001263664875 807992092 /nfs/dbraw/zinc/99/20/92/807992092.db2.gz NVNLLSVWOUVXGI-LLVKDONJSA-N 0 3 276.286 3.282 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3c(F)cccc3C2)CCCC1 ZINC001171393997 808044394 /nfs/dbraw/zinc/04/43/94/808044394.db2.gz RTTDCDTVCXSERH-CQSZACIVSA-N 0 3 272.367 3.357 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001264430824 808070371 /nfs/dbraw/zinc/07/03/71/808070371.db2.gz ONUJAAFJALHPJS-HDJSIYSDSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)o1 ZINC001264738499 808089098 /nfs/dbraw/zinc/08/90/98/808089098.db2.gz YWRZJPMJYOHFHJ-LBPRGKRZSA-N 0 3 296.798 3.046 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(CC=C)CCCC2)CC1 ZINC001265201222 808119679 /nfs/dbraw/zinc/11/96/79/808119679.db2.gz KTFFOUDGTNSIKO-UHFFFAOYSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001265412120 808140922 /nfs/dbraw/zinc/14/09/22/808140922.db2.gz YWVSKDPNNGFAEQ-OVYGPGRDSA-N 0 3 290.451 3.062 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001265560346 808154821 /nfs/dbraw/zinc/15/48/21/808154821.db2.gz OEVBPGYFDFQEFB-HZSPNIEDSA-N 0 3 286.847 3.048 20 30 CGEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](CCC)CC1CCCC1 ZINC001265832355 808186330 /nfs/dbraw/zinc/18/63/30/808186330.db2.gz HRRNRGXKOPAJBH-DOTOQJQBSA-N 0 3 292.467 3.101 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)n1nc(CN)c2ccccc21 ZINC001172295497 808218898 /nfs/dbraw/zinc/21/88/98/808218898.db2.gz SEKOGKWRYDYYQQ-CYBMUJFWSA-N 0 3 290.370 3.170 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001266252678 808233301 /nfs/dbraw/zinc/23/33/01/808233301.db2.gz YHOMPZNYNBICNQ-GFCCVEGCSA-N 0 3 296.411 3.048 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001266280498 808237119 /nfs/dbraw/zinc/23/71/19/808237119.db2.gz HPTYLPSHYVFQDR-OFLPRAFFSA-N 0 3 294.483 3.463 20 30 CGEDHN CCCCCCC[C@@H](CC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172347141 808245566 /nfs/dbraw/zinc/24/55/66/808245566.db2.gz RZWRZFGIFGOZTL-HUUCEWRRSA-N 0 3 281.444 3.227 20 30 CGEDHN C=C(C)CCC(=O)NC[C@@H]1CCCCN1CC=C(C)C ZINC001266842715 808323432 /nfs/dbraw/zinc/32/34/32/808323432.db2.gz SVFTUZXNFDNZOE-INIZCTEOSA-N 0 3 278.440 3.280 20 30 CGEDHN CCCCCCCC[C@H](CC)N1CCO[C@H](CO)C1 ZINC001172506009 808363255 /nfs/dbraw/zinc/36/32/55/808363255.db2.gz ZBQMNFFTCUUJGU-HOTGVXAUSA-N 0 3 271.445 3.209 20 30 CGEDHN C[C@@H](CCCC#N)N1CCc2nc(Cl)ccc2C1 ZINC001172507809 808364947 /nfs/dbraw/zinc/36/49/47/808364947.db2.gz YRNWAGSNCGHNPS-NSHDSACASA-N 0 3 263.772 3.175 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@]1(C)CCC[C@H]1CC)C1CC1 ZINC001267328486 808415463 /nfs/dbraw/zinc/41/54/63/808415463.db2.gz XUESYXYKNJTSMD-CRAIPNDOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)[C@H](F)CC)C1 ZINC001267957189 808521438 /nfs/dbraw/zinc/52/14/38/808521438.db2.gz ZFHUEBYZVVNHHQ-HUUCEWRRSA-N 0 3 284.419 3.062 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H](NCC(=C)Cl)C(C)C ZINC001268211771 808557826 /nfs/dbraw/zinc/55/78/26/808557826.db2.gz FFVCCKJOOWRFEQ-ZDUSSCGKSA-N 0 3 286.847 3.072 20 30 CGEDHN CC(=O)[C@H](NC1CCC(C)(C#N)CC1)c1ccccc1 ZINC001173586169 808645937 /nfs/dbraw/zinc/64/59/37/808645937.db2.gz KNHCZQCMFVOPIV-CGZBRXJRSA-N 0 3 270.376 3.379 20 30 CGEDHN CCOC(=O)[C@H]1C[C@H](C)CCN1C1CCC(C)(C#N)CC1 ZINC001173600262 808650662 /nfs/dbraw/zinc/65/06/62/808650662.db2.gz XNKRJSLHQIZQOV-HCEZTOJASA-N 0 3 292.423 3.122 20 30 CGEDHN CCCCN(CCC#N)[C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173642992 808658655 /nfs/dbraw/zinc/65/86/55/808658655.db2.gz GBPPCRRMFHAUKP-GJZGRUSLSA-N 0 3 280.412 3.124 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(CC)(CC)CC)C1 ZINC001269286623 808663285 /nfs/dbraw/zinc/66/32/85/808663285.db2.gz AIFCYJBDCBFLAE-HNNXBMFYSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccccc1C ZINC001272080881 808796566 /nfs/dbraw/zinc/79/65/66/808796566.db2.gz TVVGPUUYZLRHTI-UHFFFAOYSA-N 0 3 288.435 3.097 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001272152512 808798657 /nfs/dbraw/zinc/79/86/57/808798657.db2.gz XFHNMKMVHVYBJY-AWEZNQCLSA-N 0 3 268.445 3.025 20 30 CGEDHN CCCCCCC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001272293552 808804098 /nfs/dbraw/zinc/80/40/98/808804098.db2.gz IOABPQTYBPPSCG-PMPSAXMXSA-N 0 3 280.456 3.288 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001275458230 808937919 /nfs/dbraw/zinc/93/79/19/808937919.db2.gz ABMHDIYOSNMALL-ZJUUUORDSA-N 0 3 293.238 3.000 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001275628958 808953770 /nfs/dbraw/zinc/95/37/70/808953770.db2.gz IHXWZTIJZPBDJF-HZPDHXFCSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001276299012 808999972 /nfs/dbraw/zinc/99/99/72/808999972.db2.gz FOWNCNQSHGGYLJ-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001276453760 809010072 /nfs/dbraw/zinc/01/00/72/809010072.db2.gz POXJQSZZJGPBRU-HUUCEWRRSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CCC(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001277071781 809057091 /nfs/dbraw/zinc/05/70/91/809057091.db2.gz KUSPVVXYLRZQLS-UHFFFAOYSA-N 0 3 292.448 3.151 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@]1(C)CC=CCC1 ZINC001277193080 809062224 /nfs/dbraw/zinc/06/22/24/809062224.db2.gz APGWOZFWVHIPJQ-ZBFHGGJFSA-N 0 3 298.858 3.360 20 30 CGEDHN Cc1cnccc1Nc1ccc(OC(F)(F)F)cc1C#N ZINC001174538742 809071020 /nfs/dbraw/zinc/07/10/20/809071020.db2.gz OTBSLVJATMGHKT-UHFFFAOYSA-N 0 3 293.248 3.326 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)C(C)C ZINC001278926624 809156938 /nfs/dbraw/zinc/15/69/38/809156938.db2.gz SLSXRJPWJVIVHI-IAGOWNOFSA-N 0 3 292.467 3.168 20 30 CGEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCCCCC(C)C)C1 ZINC001284015472 809292273 /nfs/dbraw/zinc/29/22/73/809292273.db2.gz SQGPEANZWASWPQ-SJORKVTESA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCCCC(=O)N[C@]12CCC[C@H]1N(C[C@H](F)CC)CC2 ZINC001284070324 809295422 /nfs/dbraw/zinc/29/54/22/809295422.db2.gz SKXJAUOFRKCCMP-INMHGKMJSA-N 0 3 296.430 3.204 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCCC)[C@@H]1C ZINC001284118536 809296623 /nfs/dbraw/zinc/29/66/23/809296623.db2.gz JWKYPQKGCUFURW-LSDHHAIUSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1coc2ccccc21 ZINC001297372903 809516419 /nfs/dbraw/zinc/51/64/19/809516419.db2.gz IMHXGGHICQSRLG-UHFFFAOYSA-N 0 3 286.375 3.013 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CC)CC(C)C ZINC001297373335 809516504 /nfs/dbraw/zinc/51/65/04/809516504.db2.gz SLFDTLUNOSXQRH-HNNXBMFYSA-N 0 3 268.445 3.025 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C2CC2)cc1 ZINC001176736007 809754444 /nfs/dbraw/zinc/75/44/44/809754444.db2.gz MFRZEHBYNOQPEW-UHFFFAOYSA-N 0 3 292.810 3.026 20 30 CGEDHN C=C[C@@H](COC)NC/C=C/c1cc(C)c(C)cc1C ZINC001178537346 809874151 /nfs/dbraw/zinc/87/41/51/809874151.db2.gz NCMQRNFEUMPBGC-OZSKJFCKSA-N 0 3 259.393 3.416 20 30 CGEDHN O[C@@H](CNCC#Cc1ccccc1)c1ccc(Cl)cc1 ZINC001182061684 810091988 /nfs/dbraw/zinc/09/19/88/810091988.db2.gz IDMXWBDJWXJPAU-KRWDZBQOSA-N 0 3 285.774 3.015 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@](C)(CC)CCCCC)C1 ZINC001188223993 810469272 /nfs/dbraw/zinc/46/92/72/810469272.db2.gz FOCWKYZRCLHEOZ-AEFFLSMTSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001189318877 810556735 /nfs/dbraw/zinc/55/67/35/810556735.db2.gz RNOCDQNSWDJKPI-OAHLLOKOSA-N 0 3 292.448 3.055 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001192696109 810816711 /nfs/dbraw/zinc/81/67/11/810816711.db2.gz MIUKMLMVHACEBM-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CC[C@H](C(=O)OC)N(C)C[C@H](C)C1CCCCC1 ZINC001196817895 811371216 /nfs/dbraw/zinc/37/12/16/811371216.db2.gz CSVWGVIYJPTPRR-DZGCQCFKSA-N 0 3 267.413 3.252 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@H]3CSC[C@H]3C2)cc1 ZINC001197032789 811391176 /nfs/dbraw/zinc/39/11/76/811391176.db2.gz SKILVWIQARMDPI-LSDHHAIUSA-N 0 3 291.847 3.376 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2occc2Cl)CC1 ZINC001197055517 811395396 /nfs/dbraw/zinc/39/53/96/811395396.db2.gz UBEBSQIRLUEHSR-UHFFFAOYSA-N 0 3 296.798 3.047 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001197519596 811426888 /nfs/dbraw/zinc/42/68/88/811426888.db2.gz PYAJRAPPWXKYGN-KRWDZBQOSA-N 0 3 292.467 3.151 20 30 CGEDHN CCCCCCCCCNC(=S)N(C)[C@@H]1CCN(C)C1 ZINC001200374915 811684012 /nfs/dbraw/zinc/68/40/12/811684012.db2.gz XGPYOVBPAPFGGD-OAHLLOKOSA-N 0 3 299.528 3.247 20 30 CGEDHN CCCCCCCN1CCN(c2ncccc2C)CC1 ZINC001201761438 811962744 /nfs/dbraw/zinc/96/27/44/811962744.db2.gz FNOXWIQTNNDPGC-UHFFFAOYSA-N 0 3 275.440 3.482 20 30 CGEDHN CCCCCCCN1CCN(c2ccc(C)cn2)CC1 ZINC001201787586 811964913 /nfs/dbraw/zinc/96/49/13/811964913.db2.gz FMFNXMNNUACAKU-UHFFFAOYSA-N 0 3 275.440 3.482 20 30 CGEDHN C#CCOc1ccc(CNCc2cc(F)ccc2C)cc1 ZINC001202465716 812099136 /nfs/dbraw/zinc/09/91/36/812099136.db2.gz HFGGCCYQSJDVCB-UHFFFAOYSA-N 0 3 283.346 3.436 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc(C)c1C ZINC001202709381 812155446 /nfs/dbraw/zinc/15/54/46/812155446.db2.gz GCCQQNZEQAXPMS-HNNXBMFYSA-N 0 3 287.407 3.075 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC001202810770 812178821 /nfs/dbraw/zinc/17/88/21/812178821.db2.gz BICRSGJJTRHXQB-UHFFFAOYSA-N 0 3 282.362 3.163 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(C)c(C)c1 ZINC001202836495 812184662 /nfs/dbraw/zinc/18/46/62/812184662.db2.gz SAIUZIKACLIABS-INIZCTEOSA-N 0 3 287.407 3.075 20 30 CGEDHN C=CCCSCCNCc1ccc(C(=O)OC)cc1F ZINC001203056584 812230905 /nfs/dbraw/zinc/23/09/05/812230905.db2.gz ZHBZHFNSWXDSAF-UHFFFAOYSA-N 0 3 297.395 3.011 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cc(F)ccc1F)C2 ZINC001203446430 812359123 /nfs/dbraw/zinc/35/91/23/812359123.db2.gz GZXWWQPKJPTFKC-INIZCTEOSA-N 0 3 284.309 3.093 20 30 CGEDHN C=CCCCCN(C)Cc1cccc(OC)c1OC ZINC001203453496 812363261 /nfs/dbraw/zinc/36/32/61/812363261.db2.gz YQEPMOHPXAHNGN-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN CC1(C)CCC2(CCN(Cc3ccc(C#N)cc3)CC2)O1 ZINC001203904814 812488633 /nfs/dbraw/zinc/48/86/33/812488633.db2.gz HCFXPYFKUNEDPH-UHFFFAOYSA-N 0 3 284.403 3.482 20 30 CGEDHN CN(C)c1ccc(CN2CC(CC#N)C2)c2ccccc21 ZINC001204232454 812580221 /nfs/dbraw/zinc/58/02/21/812580221.db2.gz DPSVLQVLXDYVKC-UHFFFAOYSA-N 0 3 279.387 3.251 20 30 CGEDHN O=C1C=C2CN(Cc3ccc(F)c(Cl)c3)CCC2S1 ZINC001204280917 812596527 /nfs/dbraw/zinc/59/65/27/812596527.db2.gz SMNAAXNUDQZFCX-CYBMUJFWSA-N 0 3 297.782 3.253 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001204303908 812607107 /nfs/dbraw/zinc/60/71/07/812607107.db2.gz RWDDYDGAKTVIQF-OAHLLOKOSA-N 0 3 270.376 3.377 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](N[C@H](CC)CC#N)C1(C)C ZINC001205238905 812914976 /nfs/dbraw/zinc/91/49/76/812914976.db2.gz YVRNCEDLFCHTAX-MGPQQGTHSA-N 0 3 252.402 3.252 20 30 CGEDHN CCCCCN1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001205478925 812989437 /nfs/dbraw/zinc/98/94/37/812989437.db2.gz HYRRVPOHQHULTL-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1Cc2ccccc2O1 ZINC001205514162 812992839 /nfs/dbraw/zinc/99/28/39/812992839.db2.gz XVSXAGLLDZVHEP-INIZCTEOSA-N 0 3 296.345 3.133 20 30 CGEDHN C[C@]1(CNCC#Cc2ccccc2)OCCc2ccccc21 ZINC001207316209 813539263 /nfs/dbraw/zinc/53/92/63/813539263.db2.gz XNCZRAPDEGRKOW-HXUWFJFHSA-N 0 3 291.394 3.116 20 30 CGEDHN N#Cc1ccc2c(c1)CN(CCc1ccc(F)cc1)CC2 ZINC001207511378 813581317 /nfs/dbraw/zinc/58/13/17/813581317.db2.gz MFEFPOCQSDZDNI-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@@H](N(C)C(C)=O)C1 ZINC001208124549 813698244 /nfs/dbraw/zinc/69/82/44/813698244.db2.gz RYDVBJIICAELQV-SXSDINLZSA-N 0 3 280.456 3.456 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H](NC[C@H](F)CC)C1 ZINC001208193631 813739328 /nfs/dbraw/zinc/73/93/28/813739328.db2.gz JHKGOFVCOKLLKO-HZPDHXFCSA-N 0 3 296.430 3.084 20 30 CGEDHN N#Cc1cccc(CCC[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001208850807 813863977 /nfs/dbraw/zinc/86/39/77/813863977.db2.gz JFMSOOKOKZYEKV-UHFFFAOYSA-N 0 3 292.382 3.255 20 30 CGEDHN N#Cc1cccc(CCC[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001208850807 813863982 /nfs/dbraw/zinc/86/39/82/813863982.db2.gz JFMSOOKOKZYEKV-UHFFFAOYSA-N 0 3 292.382 3.255 20 30 CGEDHN N#Cc1ccc(CCC[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001208863610 813871882 /nfs/dbraw/zinc/87/18/82/813871882.db2.gz AHCIOPYFCCTNGP-UHFFFAOYSA-N 0 3 292.382 3.255 20 30 CGEDHN N#Cc1ccc(CCC[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001208863610 813871896 /nfs/dbraw/zinc/87/18/96/813871896.db2.gz AHCIOPYFCCTNGP-UHFFFAOYSA-N 0 3 292.382 3.255 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001208867701 813875454 /nfs/dbraw/zinc/87/54/54/813875454.db2.gz HQXJUDGLEPOIDN-BZUAXINKSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCCCN1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001209161228 813951260 /nfs/dbraw/zinc/95/12/60/813951260.db2.gz JRSNVTQBOXYQFD-HNNXBMFYSA-N 0 3 290.455 3.066 20 30 CGEDHN C=CCCCCN1CCCn2cnc(COC(C)C)c2C1 ZINC001209202486 813966337 /nfs/dbraw/zinc/96/63/37/813966337.db2.gz IIGYJMNLCZZVMQ-UHFFFAOYSA-N 0 3 291.439 3.370 20 30 CGEDHN C#CCCCN(Cc1ccccc1)Cc1cccnc1 ZINC001209265693 813988076 /nfs/dbraw/zinc/98/80/76/813988076.db2.gz DEFCDVBCEYPBJB-UHFFFAOYSA-N 0 3 264.372 3.497 20 30 CGEDHN C=CCCCCCN1CCN(C)c2ncccc2C1 ZINC001209424328 814025556 /nfs/dbraw/zinc/02/55/56/814025556.db2.gz PMEDEGCZKCTDCK-UHFFFAOYSA-N 0 3 259.397 3.080 20 30 CGEDHN Cc1cccc2c(CN3CCC(C#N)CC3)c[nH]c21 ZINC001209482563 814054718 /nfs/dbraw/zinc/05/47/18/814054718.db2.gz OTUCQUCCHVIXOR-UHFFFAOYSA-N 0 3 253.349 3.212 20 30 CGEDHN CN(C)[C@H]1CCOc2c(Nc3cncc(C#N)c3)cccc21 ZINC001210091894 814282754 /nfs/dbraw/zinc/28/27/54/814282754.db2.gz SEYLAMDNXJOZGC-INIZCTEOSA-N 0 3 294.358 3.082 20 30 CGEDHN C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Cl)ccc([O-])c1F ZINC001218457540 816224032 /nfs/dbraw/zinc/22/40/32/816224032.db2.gz SAISGHSHHCRLDK-ZYHUDNBSSA-N 0 3 285.746 3.260 20 30 CGEDHN Cc1c(C#N)ccc(O[C@H]2CNCc3ccccc32)c1C ZINC001218484775 816239938 /nfs/dbraw/zinc/23/99/38/816239938.db2.gz WBVRNXSTWPYNPB-SFHVURJKSA-N 0 3 278.355 3.398 20 30 CGEDHN Cc1ccc(C#N)cc1O[C@H]1CNCc2ccccc21 ZINC001218485342 816241154 /nfs/dbraw/zinc/24/11/54/816241154.db2.gz IACOPWPYEGAIAG-KRWDZBQOSA-N 0 3 264.328 3.090 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc2nccnc21 ZINC001218910686 816257282 /nfs/dbraw/zinc/25/72/82/816257282.db2.gz PFPUASJJXCRHFY-ZDUSSCGKSA-N 0 3 298.390 3.032 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001224913509 816909575 /nfs/dbraw/zinc/90/95/75/816909575.db2.gz DNXWJCANLDQAGV-HNNXBMFYSA-N 0 3 295.471 3.247 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(F)=C(C)C ZINC001225668605 817134376 /nfs/dbraw/zinc/13/43/76/817134376.db2.gz DVSXOJHFUVODQS-VXGBXAGGSA-N 0 3 288.794 3.019 20 30 CGEDHN C[Si](C)(C)C#Cc1ccc(O[C@H]2CN3CCC2CC3)cc1 ZINC001227431091 817648332 /nfs/dbraw/zinc/64/83/32/817648332.db2.gz AMIZLHWPYALQFF-SFHVURJKSA-N 0 3 299.490 3.389 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001231116066 818034633 /nfs/dbraw/zinc/03/46/33/818034633.db2.gz YOCVXGWQGNNEMP-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1ccccc1 ZINC001231123232 818037172 /nfs/dbraw/zinc/03/71/72/818037172.db2.gz ROXPXRCUIDWJMY-RDJZCZTQSA-N 0 3 286.419 3.247 20 30 CGEDHN N#C[C@H]1CCCN(Cc2ccnc3c(F)cccc23)CC1 ZINC001232211311 818278231 /nfs/dbraw/zinc/27/82/31/818278231.db2.gz BXMGAGNRIBCOCY-ZDUSSCGKSA-N 0 3 283.350 3.500 20 30 CGEDHN Cc1cccc(F)c1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232483641 818365903 /nfs/dbraw/zinc/36/59/03/818365903.db2.gz MOIRXAMEOLAISC-ZSOGYDGISA-N 0 3 258.340 3.401 20 30 CGEDHN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C)cc1C#N ZINC001232968964 818486018 /nfs/dbraw/zinc/48/60/18/818486018.db2.gz UGIAQMNCGDVSLP-SJPCQFCGSA-N 0 3 270.376 3.009 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(/C=C/C(=O)OC)cc1 ZINC001233299160 818572651 /nfs/dbraw/zinc/57/26/51/818572651.db2.gz NPAOMLLEXFAHTH-ZHACJKMWSA-N 0 3 271.360 3.047 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001233999247 818750868 /nfs/dbraw/zinc/75/08/68/818750868.db2.gz LKIIUTBVYIEARB-ZDUSSCGKSA-N 0 3 281.359 3.066 20 30 CGEDHN C[NH+](C)CC[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234144874 818790586 /nfs/dbraw/zinc/79/05/86/818790586.db2.gz WSFSTOCZWDBZDI-GOSISDBHSA-N 0 3 296.370 3.336 20 30 CGEDHN Cc1nnc(-c2ccc(CN3CCC[C@H](C#N)CC3)cc2)o1 ZINC001235059912 818991815 /nfs/dbraw/zinc/99/18/15/818991815.db2.gz KPOJDTMZLIGFOV-AWEZNQCLSA-N 0 3 296.374 3.171 20 30 CGEDHN N#CCc1ccccc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001235510653 819113134 /nfs/dbraw/zinc/11/31/34/819113134.db2.gz CPNWLMJKMFQCDF-AWEZNQCLSA-N 0 3 282.309 3.322 20 30 CGEDHN N#CCc1ccccc1CN1CC(c2ccccc2)C1 ZINC001235527709 819115898 /nfs/dbraw/zinc/11/58/98/819115898.db2.gz KXXFLIMOVVZTSU-UHFFFAOYSA-N 0 3 262.356 3.352 20 30 CGEDHN Cc1cc(Cl)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001235533090 819117118 /nfs/dbraw/zinc/11/71/18/819117118.db2.gz RAUIUXYEHJFARR-CQSZACIVSA-N 0 3 293.819 3.423 20 30 CGEDHN CCCCCCCN(C)Cc1nc2c(s1)CNCC2 ZINC001235662717 819132505 /nfs/dbraw/zinc/13/25/05/819132505.db2.gz MRDMOEHWCOVHSG-UHFFFAOYSA-N 0 3 281.469 3.191 20 30 CGEDHN N#Cc1cnnc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001236248419 819404983 /nfs/dbraw/zinc/40/49/83/819404983.db2.gz GQGXVAVFVIRTTC-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN CCc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001236793958 819597756 /nfs/dbraw/zinc/59/77/56/819597756.db2.gz HXUGMAZMGFYOBL-AWEZNQCLSA-N 0 3 258.365 3.080 20 30 CGEDHN CCc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001236793958 819597762 /nfs/dbraw/zinc/59/77/62/819597762.db2.gz HXUGMAZMGFYOBL-AWEZNQCLSA-N 0 3 258.365 3.080 20 30 CGEDHN C=CCOc1ccc(CN2CCNC3=CCCC[C@@H]32)cc1 ZINC001237217630 819698916 /nfs/dbraw/zinc/69/89/16/819698916.db2.gz BMSLJHPXYFUCLI-SFHVURJKSA-N 0 3 284.403 3.093 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)nc1)C1CCCCC1 ZINC001237440725 819750065 /nfs/dbraw/zinc/75/00/65/819750065.db2.gz IQKPYBAFODYDJP-UHFFFAOYSA-N 0 3 288.391 3.189 20 30 CGEDHN N#Cc1cc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)ccn1 ZINC001237469154 819759645 /nfs/dbraw/zinc/75/96/45/819759645.db2.gz QLTNDWOAQDDUDD-GASCZTMLSA-N 0 3 275.355 3.040 20 30 CGEDHN Cn1cc(CN2CCC[C@@H](CC#N)C2)c2cc(C#N)ccc21 ZINC001237469831 819759743 /nfs/dbraw/zinc/75/97/43/819759743.db2.gz CNPBAPDBTUQOSM-AWEZNQCLSA-N 0 3 292.386 3.176 20 30 CGEDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C#N)CC2)c1[O-] ZINC001237687156 819806600 /nfs/dbraw/zinc/80/66/00/819806600.db2.gz RTJQJPLHZFCNAX-LBPRGKRZSA-N 0 3 278.783 3.480 20 30 CGEDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1[O-] ZINC001237687156 819806610 /nfs/dbraw/zinc/80/66/10/819806610.db2.gz RTJQJPLHZFCNAX-LBPRGKRZSA-N 0 3 278.783 3.480 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@]1(C)O ZINC001238189857 819951067 /nfs/dbraw/zinc/95/10/67/819951067.db2.gz YCEMTXQSBMLIBH-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN Cc1cc(CN2CCC(S)CC2)cnc1C1CC1 ZINC001238628725 820068186 /nfs/dbraw/zinc/06/81/86/820068186.db2.gz RANASLUBPNASRW-UHFFFAOYSA-N 0 3 262.422 3.162 20 30 CGEDHN N#Cc1cc(C(F)(F)F)ccc1-c1cccc(CN)n1 ZINC001238838102 820131868 /nfs/dbraw/zinc/13/18/68/820131868.db2.gz JPKFUAWZUUSHOH-UHFFFAOYSA-N 0 3 277.249 3.098 20 30 CGEDHN CN(Cc1ccc(-c2ccccc2OCC#N)nc1)C1CC1 ZINC001243586136 823456644 /nfs/dbraw/zinc/45/66/44/823456644.db2.gz ZDRIJFPLMFKXBE-UHFFFAOYSA-N 0 3 293.370 3.245 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC001239290828 820253410 /nfs/dbraw/zinc/25/34/10/820253410.db2.gz FMCJVCNQURFYFU-KKUMJFAQSA-N 0 3 283.460 3.127 20 30 CGEDHN COc1cc(C#N)ccc1-c1cnccc1/C=C/N(C)C ZINC001241411914 821806518 /nfs/dbraw/zinc/80/65/18/821806518.db2.gz GGFGLXLEEHXSKN-VQHVLOKHSA-N 0 3 279.343 3.161 20 30 CGEDHN N#CC1(c2ccccc2-c2ccc(F)cc2[O-])CC[NH2+]CC1 ZINC001242219688 822916425 /nfs/dbraw/zinc/91/64/25/822916425.db2.gz LUIMBRZHUPDJOM-UHFFFAOYSA-N 0 3 296.345 3.343 20 30 CGEDHN N#Cc1ncccc1-c1cc(CN2CCCCC2)ccn1 ZINC001242308937 822946976 /nfs/dbraw/zinc/94/69/76/822946976.db2.gz LIBQHICBUIEMST-UHFFFAOYSA-N 0 3 278.359 3.001 20 30 CGEDHN Cc1cc(C#N)cc(-c2cnccc2/C=C/N(C)C)c1 ZINC001242481171 823007899 /nfs/dbraw/zinc/00/78/99/823007899.db2.gz ZMODSRRKHXPDGF-FNORWQNLSA-N 0 3 263.344 3.461 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@@H](C)CC ZINC001329293928 935202485 /nfs/dbraw/zinc/20/24/85/935202485.db2.gz YXDHMXQFTPGMSQ-LBPRGKRZSA-N 0 3 288.863 3.249 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC)c1ccccc1F ZINC001340554691 936407736 /nfs/dbraw/zinc/40/77/36/936407736.db2.gz GEMGSLXCOZVYNY-GJZGRUSLSA-N 0 3 278.371 3.077 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001340605470 936409130 /nfs/dbraw/zinc/40/91/30/936409130.db2.gz ZCNCNBIVEKXXHY-CJNGLKHVSA-N 0 3 292.398 3.419 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1CC ZINC001340695798 936411711 /nfs/dbraw/zinc/41/17/11/936411711.db2.gz MRKVIEMLBIRNEV-SJORKVTESA-N 0 3 286.419 3.206 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cscc1Cl ZINC001340825854 936415872 /nfs/dbraw/zinc/41/58/72/936415872.db2.gz NYQLUFPDMPGBFQ-SECBINFHSA-N 0 3 258.774 3.024 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)NCc1ccc(C)nc1 ZINC001341661098 936446683 /nfs/dbraw/zinc/44/66/83/936446683.db2.gz CEKICWOGCZSDBW-INIZCTEOSA-N 0 3 291.439 3.084 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(C)CCC(F)(F)CC1 ZINC001344321867 936529488 /nfs/dbraw/zinc/52/94/88/936529488.db2.gz CKTAWIMPVQKQFC-NSHDSACASA-N 0 3 295.333 3.295 20 30 CGEDHN C[C@@H]1CCC[C@@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345622012 936817844 /nfs/dbraw/zinc/81/78/44/936817844.db2.gz SSCXUMYPUOAATB-CKYFFXLPSA-N 0 3 278.302 3.362 20 30 CGEDHN N#CC(C(=O)c1cnn(C2CCCCC2)c1)c1ccccn1 ZINC001346028072 936835000 /nfs/dbraw/zinc/83/50/00/936835000.db2.gz VEJIYLCRDNSBJT-OAHLLOKOSA-N 0 3 294.358 3.273 20 30 CGEDHN CC(C)C[C@@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346762035 936860465 /nfs/dbraw/zinc/86/04/65/936860465.db2.gz CKCYFKBBHNTWPG-KOLCDFICSA-N 0 3 266.291 3.218 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001479962270 936948607 /nfs/dbraw/zinc/94/86/07/936948607.db2.gz SCZQBNQDXIZPDS-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCC(C)(C)C ZINC001349701668 936958558 /nfs/dbraw/zinc/95/85/58/936958558.db2.gz IQJIMZLTDVACPG-JTQLQIEISA-N 0 3 281.787 3.466 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CC1(C)CCCCC1 ZINC001347337427 926724889 /nfs/dbraw/zinc/72/48/89/926724889.db2.gz INOKUICBSMCGRG-ZDUSSCGKSA-N 0 3 273.380 3.440 20 30 CGEDHN C=C(C)[C@H](NCCc1nnc(C)o1)c1ccc(F)c(F)c1 ZINC001354627433 937108793 /nfs/dbraw/zinc/10/87/93/937108793.db2.gz WDEBYWFZEVFGFP-HNNXBMFYSA-N 0 3 293.317 3.106 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCC1 ZINC001481664447 927050393 /nfs/dbraw/zinc/05/03/93/927050393.db2.gz ALBAWCIVJMVYAO-IRXDYDNUSA-N 0 3 292.467 3.432 20 30 CGEDHN C=C[C@H](CC(=O)N[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001481696430 927065556 /nfs/dbraw/zinc/06/55/56/927065556.db2.gz KJWIYVCZZIOEMC-AEFFLSMTSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001481750398 927077658 /nfs/dbraw/zinc/07/76/58/927077658.db2.gz LUIZMLNFYSMRMG-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)CC(C)(C)C)CCCC1 ZINC001482210931 927169765 /nfs/dbraw/zinc/16/97/65/927169765.db2.gz GVZXZRRKQDAACD-UHFFFAOYSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H](CNCCF)C1CCCCC1 ZINC001482410536 927232946 /nfs/dbraw/zinc/23/29/46/927232946.db2.gz MCHPKCJTCXBWTO-OAHLLOKOSA-N 0 3 298.446 3.213 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](CCC)C(C)C ZINC001482631957 927333585 /nfs/dbraw/zinc/33/35/85/927333585.db2.gz FCZUOGFHOQGBMZ-HNNXBMFYSA-N 0 3 268.445 3.025 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@@](C)(CC)c1ccccc1 ZINC001357253834 937168629 /nfs/dbraw/zinc/16/86/29/937168629.db2.gz KOYUFPPDWLACIC-WBVHZDCISA-N 0 3 274.408 3.112 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)ccc1OC(C)C ZINC001357241612 937168046 /nfs/dbraw/zinc/16/80/46/937168046.db2.gz FKIAVXPGSDAMMD-ZDUSSCGKSA-N 0 3 294.370 3.235 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C1(CC=C)CCC1 ZINC001483676331 927566395 /nfs/dbraw/zinc/56/63/95/927566395.db2.gz BUAWTFUEMVZXRF-JKSUJKDBSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](CC)CC(C)C ZINC001485071921 927803144 /nfs/dbraw/zinc/80/31/44/927803144.db2.gz ABHHAFSKEPGTIJ-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccsc2)C[C@@H]1C ZINC001486121581 927986915 /nfs/dbraw/zinc/98/69/15/927986915.db2.gz MDAIGOQJILUCDF-ZFWWWQNUSA-N 0 3 292.448 3.183 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001494915909 928275659 /nfs/dbraw/zinc/27/56/59/928275659.db2.gz ATADUUUPQVMTDT-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)/C(C)=C\CC)C1 ZINC001489224736 928321868 /nfs/dbraw/zinc/32/18/68/928321868.db2.gz JWQJDGFZYTUYTE-JEMSNHSXSA-N 0 3 298.858 3.456 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CC=C(C)C)[C@@H]1C ZINC001489293137 928323056 /nfs/dbraw/zinc/32/30/56/928323056.db2.gz KCXAESDFABXVAO-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)CC2CCCC2)[C@H]1C ZINC001489294035 928323369 /nfs/dbraw/zinc/32/33/69/928323369.db2.gz RTDFNJCZMKLMIM-OIISXLGYSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)C ZINC001490783990 928389425 /nfs/dbraw/zinc/38/94/25/928389425.db2.gz IZEGXKGJKUZDPV-IYBDPMFKSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN(C[C@H](F)CC)C1 ZINC001491117486 928834500 /nfs/dbraw/zinc/83/45/00/928834500.db2.gz IDQNVUIMNHNPNP-HUUCEWRRSA-N 0 3 298.446 3.165 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(CCC)CCN1CCCCC1 ZINC001449356700 937379612 /nfs/dbraw/zinc/37/96/12/937379612.db2.gz PVNGCDBUQRMXJY-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN Cc1c(Cl)cnc(NCCN2CCC(C)(C)C2)c1C#N ZINC001458698505 937472271 /nfs/dbraw/zinc/47/22/71/937472271.db2.gz OVZLDOGGAPNQRK-UHFFFAOYSA-N 0 3 292.814 3.059 20 30 CGEDHN N#Cc1ccnc(-c2ccc(CN3CCSCC3)cc2)c1 ZINC001139402556 931952632 /nfs/dbraw/zinc/95/26/32/931952632.db2.gz UDMVJJDANCYJIE-UHFFFAOYSA-N 0 3 295.411 3.169 20 30 CGEDHN CN1CCc2cc(O[C@@H](C#N)c3ccccc3)ccc2C1 ZINC001228936111 932053843 /nfs/dbraw/zinc/05/38/43/932053843.db2.gz BTGNZCRDTWYQDE-SFHVURJKSA-N 0 3 278.355 3.318 20 30 CGEDHN C#C[C@H](CC(C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228944542 932056947 /nfs/dbraw/zinc/05/69/47/932056947.db2.gz ONYKFWOBZYXQFP-MRXNPFEDSA-N 0 3 257.377 3.101 20 30 CGEDHN CC#CC[C@@H](CC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228944118 932057219 /nfs/dbraw/zinc/05/72/19/932057219.db2.gz LRLDBSACTWOPDA-MRXNPFEDSA-N 0 3 257.377 3.245 20 30 CGEDHN CC#CC[C@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303595 932129264 /nfs/dbraw/zinc/12/92/64/932129264.db2.gz VSJRNEHXYDREKP-INIZCTEOSA-N 0 3 287.403 3.392 20 30 CGEDHN C=CC1CCN(Cc2cn(C)nc2C2CCCC2)CC1 ZINC001461840991 937601145 /nfs/dbraw/zinc/60/11/45/937601145.db2.gz DZJOCHQJLBMXGX-UHFFFAOYSA-N 0 3 273.424 3.476 20 30 CGEDHN CN1CCC[C@@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230632613 932601460 /nfs/dbraw/zinc/60/14/60/932601460.db2.gz LBKOBDJYXIWOQG-CQSZACIVSA-N 0 3 272.392 3.329 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001230638887 932602445 /nfs/dbraw/zinc/60/24/45/932602445.db2.gz RARYZADCDXRQNH-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230675866 932607430 /nfs/dbraw/zinc/60/74/30/932607430.db2.gz KHIZIBRDUBCBPG-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230823424 932627469 /nfs/dbraw/zinc/62/74/69/932627469.db2.gz HFDZPBNTZKLSRM-CABCVRRESA-N 0 3 298.496 3.015 20 30 CGEDHN CC(C)(N[C@@H]1CC[C@H](C#N)C1)c1cc(F)cc(F)c1 ZINC001254644034 932725044 /nfs/dbraw/zinc/72/50/44/932725044.db2.gz POIFTGXQDLISMV-IINYFYTJSA-N 0 3 264.319 3.482 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(CCC)CCC1 ZINC001316599095 932743438 /nfs/dbraw/zinc/74/34/38/932743438.db2.gz AMFUEZNPXGCHIG-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(C2CCC2)CCC1 ZINC001492062987 932802568 /nfs/dbraw/zinc/80/25/68/932802568.db2.gz UOEFUHTZKKQAMG-CYBMUJFWSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C12CCC(CC1)CC2 ZINC001492128005 932805084 /nfs/dbraw/zinc/80/50/84/932805084.db2.gz WZBACRWDHIZXFT-VQCLRJIVSA-N 0 3 298.858 3.194 20 30 CGEDHN CCCCCCCCCCN1CCN2C(=O)CC[C@H]2C1 ZINC001307586141 932972456 /nfs/dbraw/zinc/97/24/56/932972456.db2.gz OUCYCASFQLEWRO-INIZCTEOSA-N 0 3 280.456 3.434 20 30 CGEDHN C=CCCN1CCN(c2ccc(Br)cc2)CC1 ZINC001307909205 933018071 /nfs/dbraw/zinc/01/80/71/933018071.db2.gz OATQWNOAJRSRSB-UHFFFAOYSA-N 0 3 295.224 3.147 20 30 CGEDHN C=CCN(C[C@@H]1CC[C@H](c2ccccc2)O1)[C@H](C)COC ZINC001307925075 933021779 /nfs/dbraw/zinc/02/17/79/933021779.db2.gz WZZSLEZRBPZFPP-BPQIPLTHSA-N 0 3 289.419 3.430 20 30 CGEDHN CC1(CN2CCN(c3ccc(F)cc3C#N)CC2)CCC1 ZINC001308007573 933034105 /nfs/dbraw/zinc/03/41/05/933034105.db2.gz GVPQTARLLRAJAJ-UHFFFAOYSA-N 0 3 287.382 3.010 20 30 CGEDHN C=C(C)CN1CCc2cc(OC)c(OC)cc2C1(C)C ZINC001308044519 933038532 /nfs/dbraw/zinc/03/85/32/933038532.db2.gz OHBYUDPTSCVQJL-UHFFFAOYSA-N 0 3 275.392 3.373 20 30 CGEDHN C#CCC1(NCc2cc(C(=O)OC)ccc2Cl)CCC1 ZINC001308101566 933048099 /nfs/dbraw/zinc/04/80/99/933048099.db2.gz RCHHDHSHCNWTGU-UHFFFAOYSA-N 0 3 291.778 3.162 20 30 CGEDHN N#Cc1ccc(CN2CCCSC[C@H]2C2CC2)cc1F ZINC001308120853 933052851 /nfs/dbraw/zinc/05/28/51/933052851.db2.gz CQTSQRWETLBISI-INIZCTEOSA-N 0 3 290.407 3.415 20 30 CGEDHN C=CCC[C@H]1CCCN1Cc1nccc(OC)c1OC ZINC001308138013 933054790 /nfs/dbraw/zinc/05/47/90/933054790.db2.gz UAHQBBFBEBENEH-ZDUSSCGKSA-N 0 3 276.380 3.029 20 30 CGEDHN N#Cc1cccc(CNCc2ccc3scnc3c2)c1 ZINC001308194444 933071085 /nfs/dbraw/zinc/07/10/85/933071085.db2.gz GEWIAPLTTLNNCU-UHFFFAOYSA-N 0 3 279.368 3.458 20 30 CGEDHN C#CCN(Cc1cn(CC)nc1-c1ccccc1)CC1CC1 ZINC001308603375 933140230 /nfs/dbraw/zinc/14/02/30/933140230.db2.gz JIWBCRLRMHLWBE-UHFFFAOYSA-N 0 3 293.414 3.415 20 30 CGEDHN CCCCO[C@H]1C[C@H](NCC(C)(C)C#N)C1(C)C ZINC001308673840 933155263 /nfs/dbraw/zinc/15/52/63/933155263.db2.gz ZOWNVXIMFYRLJR-STQMWFEESA-N 0 3 252.402 3.110 20 30 CGEDHN N#CC1(c2ccc(CN3CC4(CCC4)C3)cc2)CC1 ZINC001308807864 933180193 /nfs/dbraw/zinc/18/01/93/933180193.db2.gz AHCMFANDCNVLEX-UHFFFAOYSA-N 0 3 252.361 3.228 20 30 CGEDHN CN(c1ccccc1)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001308884175 933197128 /nfs/dbraw/zinc/19/71/28/933197128.db2.gz NOYZFFQSNGVVGG-FQEVSTJZSA-N 0 3 290.410 3.249 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCC)C2)CCCC1 ZINC001316951663 933460113 /nfs/dbraw/zinc/46/01/13/933460113.db2.gz CDDZMYCEYKUISA-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)CCC2CCC2)CC1 ZINC001317003968 933511837 /nfs/dbraw/zinc/51/18/37/933511837.db2.gz GZARRHXVQGAHJM-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN CC(C)(C#N)CC(=O)N(CCN1CCCC1)c1ccccc1 ZINC001465308583 937700084 /nfs/dbraw/zinc/70/00/84/937700084.db2.gz NPISZHXQCDCHES-UHFFFAOYSA-N 0 3 299.418 3.055 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)CC1(C)CCCCC1 ZINC001317543239 933615385 /nfs/dbraw/zinc/61/53/85/933615385.db2.gz JUSNWFKVCRIREF-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN C=CCN(CCNC(=O)C1CCCCCCC1)C1CC1 ZINC001317555930 933620256 /nfs/dbraw/zinc/62/02/56/933620256.db2.gz UPLSTJNWJKTLAM-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN[C@H](CNC(=O)C1(CC=C)CCC1)c1ccccc1 ZINC001317723402 933637877 /nfs/dbraw/zinc/63/78/77/933637877.db2.gz GNRSATAQNZKUQY-QGZVFWFLSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@@]1(C)C=CCC1)c1ccccc1 ZINC001317721452 933638332 /nfs/dbraw/zinc/63/83/32/933638332.db2.gz GIJNQYVLOLXFJY-MJGOQNOKSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(CC)CCC1)C(C)C ZINC001319934646 933960070 /nfs/dbraw/zinc/96/00/70/933960070.db2.gz DZWATHHMZXYGDP-ZDUSSCGKSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2ccsc2)C1 ZINC001320838769 934110675 /nfs/dbraw/zinc/11/06/75/934110675.db2.gz UBDYXEPCPZGHPW-UHFFFAOYSA-N 0 3 292.448 3.043 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC001472560846 937777676 /nfs/dbraw/zinc/77/76/76/937777676.db2.gz JBFXPJCESGHAMF-KGLIPLIRSA-N 0 3 278.396 3.181 20 30 CGEDHN C=C(C)CN1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001473493735 937809011 /nfs/dbraw/zinc/80/90/11/937809011.db2.gz IJHWQVZQTJBYTB-ZDUSSCGKSA-N 0 3 264.800 3.427 20 30 CGEDHN C=C[C@H](COC)NC/C(C)=C/c1ccccc1COC ZINC001326198023 934958837 /nfs/dbraw/zinc/95/88/37/934958837.db2.gz WIWLUFBPRWFSKM-IDKBZEPQSA-N 0 3 275.392 3.027 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001473628073 937815103 /nfs/dbraw/zinc/81/51/03/937815103.db2.gz ZOOQEGVMHPXPKF-NVXWUHKLSA-N 0 3 284.403 3.080 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)C(=C)C)cc1 ZINC001326481237 934982857 /nfs/dbraw/zinc/98/28/57/934982857.db2.gz QGPKVAINHLMIPY-OAHLLOKOSA-N 0 3 298.430 3.189 20 30 CGEDHN C=CCN(Cc1cn(C)nc1C(F)F)C(C)(C)C ZINC001328428500 935137049 /nfs/dbraw/zinc/13/70/49/935137049.db2.gz CPXJTSIJPBXOAI-UHFFFAOYSA-N 0 3 257.328 3.144 20 30 CGEDHN C=CCCC(=O)NC[C@@H](C)N(C)[C@H](C)c1ccc(F)cc1 ZINC001329397186 935211960 /nfs/dbraw/zinc/21/19/60/935211960.db2.gz OGIUXFKQXXDCGM-ZIAGYGMSSA-N 0 3 292.398 3.289 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCC(N(C)C/C=C/Cl)CC2)C1 ZINC001331053730 935346375 /nfs/dbraw/zinc/34/63/75/935346375.db2.gz LWIZJYIYUFTYJD-QPJJXVBHSA-N 0 3 296.842 3.018 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC001333428710 935534586 /nfs/dbraw/zinc/53/45/86/935534586.db2.gz JXDQCJIGKJRUBQ-OLZOCXBDSA-N 0 3 262.401 3.010 20 30 CGEDHN C(#Cc1ccccc1)CNCc1ccc2c(c1)CCC2 ZINC001336655403 936203420 /nfs/dbraw/zinc/20/34/20/936203420.db2.gz CQUNWAKEUSJRAQ-UHFFFAOYSA-N 0 3 261.368 3.317 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc(OCCC)cc2)C1 ZINC001337720408 936283159 /nfs/dbraw/zinc/28/31/59/936283159.db2.gz ARTKSVRQKWVLJT-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C#C[C@H]1CCCCN1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001473867999 937826105 /nfs/dbraw/zinc/82/61/05/937826105.db2.gz DJPAELRFGVPSHM-GJZGRUSLSA-N 0 3 297.320 3.227 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCC#Cc1ccccc1 ZINC001474498221 937863157 /nfs/dbraw/zinc/86/31/57/937863157.db2.gz PUBJKDBVXOBHDO-IBGZPJMESA-N 0 3 272.351 3.187 20 30 CGEDHN C#C[C@@H](NCc1ccc(C(=O)OC(C)(C)C)s1)C(C)C ZINC001474508177 937863828 /nfs/dbraw/zinc/86/38/28/937863828.db2.gz XCBPNHNZLWWJNE-CYBMUJFWSA-N 0 3 293.432 3.451 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@H](C)F)CCC1 ZINC001479244576 937918590 /nfs/dbraw/zinc/91/85/90/937918590.db2.gz KRSCTGQAQSTEKF-GJZGRUSLSA-N 0 3 296.430 3.014 20 30 CGEDHN CCCCCCCN1CCC[C@H](NC(=O)[C@H](F)CC)C1 ZINC001479909374 937929008 /nfs/dbraw/zinc/92/90/08/937929008.db2.gz VQVQLYWJIMMSEN-LSDHHAIUSA-N 0 3 286.435 3.286 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001479984527 937930807 /nfs/dbraw/zinc/93/08/07/937930807.db2.gz DMIXOQBIKFRLSZ-KVEVGEHQSA-N 0 3 296.842 3.066 20 30 CGEDHN C/C=C(/C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCCCC ZINC001494650545 937955283 /nfs/dbraw/zinc/95/52/83/937955283.db2.gz MSBZAVLBLUUOCK-BTOPGYKJSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CC1 ZINC001494648855 937955311 /nfs/dbraw/zinc/95/53/11/937955311.db2.gz DLVCSYRODWWAIJ-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)CC2(C=C)CCCCC2)C1 ZINC001494852508 937956702 /nfs/dbraw/zinc/95/67/02/937956702.db2.gz MWPATENJEIMWHX-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C/C(C)=C\CC(=O)N(CC)[C@H]1CCN(CC(=C)C)C1 ZINC001494910923 937957425 /nfs/dbraw/zinc/95/74/25/937957425.db2.gz QYNFBZBBALBBIX-YMDFIQGPSA-N 0 3 276.424 3.008 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC=CCC2)CCCC1 ZINC001495129979 937958272 /nfs/dbraw/zinc/95/82/72/937958272.db2.gz MPCLXOPFRFPKEO-AWEZNQCLSA-N 0 3 296.842 3.114 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@@H](C)C2)CCCC1 ZINC001495190578 937958428 /nfs/dbraw/zinc/95/84/28/937958428.db2.gz BGHBNSYXSAPZHO-TZMCWYRMSA-N 0 3 298.858 3.194 20 30 CGEDHN CC#CCNCCN(CC)C(=O)[C@@H](CC)CC1CCCC1 ZINC001497464418 937965982 /nfs/dbraw/zinc/96/59/82/937965982.db2.gz NBFQKYPKHLTZPM-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCNC/C=C\CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001497763490 937966672 /nfs/dbraw/zinc/96/66/72/937966672.db2.gz GMMAUSCIUMCEIM-PTZVLDCSSA-N 0 3 298.430 3.099 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C1(C)CCCCCC1 ZINC001498997196 937971659 /nfs/dbraw/zinc/97/16/59/937971659.db2.gz GGVHEVIMXKXAGZ-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001498999857 937971761 /nfs/dbraw/zinc/97/17/61/937971761.db2.gz YGJRBOKIFFYYML-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001499056237 937972241 /nfs/dbraw/zinc/97/22/41/937972241.db2.gz IYDRYYYWYJACCC-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)C2CC2)cc1 ZINC001501681340 937980267 /nfs/dbraw/zinc/98/02/67/937980267.db2.gz GYIPOMWAOCNUOD-CABCVRRESA-N 0 3 298.430 3.023 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1c(C)coc1C ZINC001506919669 937992691 /nfs/dbraw/zinc/99/26/91/937992691.db2.gz ZZPYLCOZJACXTE-GFCCVEGCSA-N 0 3 298.814 3.137 20 30 CGEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CCCN(CC(=C)C)[C@@H]1C ZINC001507381637 937995694 /nfs/dbraw/zinc/99/56/94/937995694.db2.gz JUENCULYWASLSX-BNSCMJDNSA-N 0 3 276.424 3.054 20 30 CGEDHN C=CCN(C)CCN(C(=O)CC1CCCCC1)C(C)C ZINC001507757957 937996752 /nfs/dbraw/zinc/99/67/52/937996752.db2.gz NCBYHGWELPQLHW-UHFFFAOYSA-N 0 3 280.456 3.312 20 30 CGEDHN N#CC(C(=O)C=Cc1ccccc1F)c1cccc(F)n1 ZINC001516710595 938009426 /nfs/dbraw/zinc/00/94/26/938009426.db2.gz NOUKKYJXRFSTGE-JLVNDZCYSA-N 0 3 284.265 3.249 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001520036456 938022622 /nfs/dbraw/zinc/02/26/22/938022622.db2.gz NCEAWOMYSKSTKU-RBSFLKMASA-N 0 3 285.391 3.296 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCCCc1ccccc1 ZINC001524257176 938043203 /nfs/dbraw/zinc/04/32/03/938043203.db2.gz SZKNFUWYKWATFK-OAHLLOKOSA-N 0 3 281.359 3.009 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CCCCc1ccccc1 ZINC001524257171 938043317 /nfs/dbraw/zinc/04/33/17/938043317.db2.gz SZKNFUWYKWATFK-HNNXBMFYSA-N 0 3 281.359 3.009 20 30 CGEDHN N#CC(C(=O)CCc1ccccc1)c1cccc(F)n1 ZINC001524695935 938044763 /nfs/dbraw/zinc/04/47/63/938044763.db2.gz MKBSBSQGKXBZMT-ZDUSSCGKSA-N 0 3 268.291 3.030 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCC1(C)C ZINC001526588132 938056361 /nfs/dbraw/zinc/05/63/61/938056361.db2.gz WOYCWCXFOVHQJP-VHSXEESVSA-N 0 3 279.771 3.076 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(F)F)cc1 ZINC001556465929 938203896 /nfs/dbraw/zinc/20/38/96/938203896.db2.gz CCUNAOJQUWLSBC-UHFFFAOYSA-N 0 3 296.361 3.204 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001558225300 938214185 /nfs/dbraw/zinc/21/41/85/938214185.db2.gz FLSYQERYYWUCTC-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN CC(C)N(Cc1ccco1)C[C@H](O)c1cccc(C#N)c1 ZINC001559506393 938227985 /nfs/dbraw/zinc/22/79/85/938227985.db2.gz ZREOKCGMDRKHCB-KRWDZBQOSA-N 0 3 284.359 3.095 20 30 CGEDHN CC(C)(C)SCCN1CCc2c(C#N)c(N)sc2C1 ZINC001560200666 938246717 /nfs/dbraw/zinc/24/67/17/938246717.db2.gz GBQAMTLGDNLFCN-UHFFFAOYSA-N 0 3 295.477 3.092 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1ccc2c(c1)OC(F)(F)O2 ZINC001560206390 938247121 /nfs/dbraw/zinc/24/71/21/938247121.db2.gz WVNUDPYQAIIADO-LLVKDONJSA-N 0 3 267.275 3.159 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@]2(CO)c2ccccc2)c1 ZINC001560231475 938248267 /nfs/dbraw/zinc/24/82/67/938248267.db2.gz UPIOWARNLVTVAQ-LJQANCHMSA-N 0 3 292.382 3.042 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(OC)c(C(C)(C)C)c1 ZINC001560448072 938259004 /nfs/dbraw/zinc/25/90/04/938259004.db2.gz QUGZZLLVMDUWPX-AWEZNQCLSA-N 0 3 277.408 3.283 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2ccnn2-c2ccccc2C)C1 ZINC001560901194 938282917 /nfs/dbraw/zinc/28/29/17/938282917.db2.gz NMIVIJDVACJQJW-KRWDZBQOSA-N 0 3 293.414 3.416 20 30 CGEDHN COc1cc(C)c(C[NH2+]Cc2ccc(CC#N)cc2)c([O-])c1 ZINC001560904832 938283020 /nfs/dbraw/zinc/28/30/20/938283020.db2.gz JUQYICUBRRTYAD-UHFFFAOYSA-N 0 3 296.370 3.065 20 30 CGEDHN C=CCCCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000172173660 958806910 /nfs/dbraw/zinc/80/69/10/958806910.db2.gz DUGPIOKBIPJTIU-UHFFFAOYSA-N 0 3 299.340 3.189 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001567928137 960603352 /nfs/dbraw/zinc/60/33/52/960603352.db2.gz CBRDFHVEVSRFIE-SJORKVTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@](C)(CC)CCC)[C@H]1C ZINC001566108117 960883261 /nfs/dbraw/zinc/88/32/61/960883261.db2.gz KPOYUXGPHSXETH-VYDXJSESSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCC)CC1 ZINC001566755579 961004624 /nfs/dbraw/zinc/00/46/24/961004624.db2.gz LOQRNKFCGJBYKY-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN CC#CCN1CC[C@H](CNC(=O)C[C@H](CC)CCCC)C1 ZINC001567406795 961321196 /nfs/dbraw/zinc/32/11/96/961321196.db2.gz XBVGWYVLNUFRTM-IAGOWNOFSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C(C)=C2CCC2)C1 ZINC001567681066 961394747 /nfs/dbraw/zinc/39/47/47/961394747.db2.gz BRMUHRSIONQASA-KRWDZBQOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccoc1C(C)C ZINC001569270807 961726330 /nfs/dbraw/zinc/72/63/30/961726330.db2.gz INTDRVMXYQUDAC-UHFFFAOYSA-N 0 3 298.814 3.207 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(F)CCCCC2)C1 ZINC001569723361 961839543 /nfs/dbraw/zinc/83/95/43/961839543.db2.gz FTUNSMQUEYAKRR-MRXNPFEDSA-N 0 3 296.430 3.063 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001570185534 961928456 /nfs/dbraw/zinc/92/84/56/961928456.db2.gz NCUBHSNQQLFAQZ-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001570743812 962068134 /nfs/dbraw/zinc/06/81/34/962068134.db2.gz HIGBODQCGNDGLM-AWEZNQCLSA-N 0 3 288.435 3.220 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001570907464 962109338 /nfs/dbraw/zinc/10/93/38/962109338.db2.gz HDWCLGVBTHSZHV-HZPDHXFCSA-N 0 3 294.483 3.461 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC=C(Cl)C1 ZINC001577425992 962543064 /nfs/dbraw/zinc/54/30/64/962543064.db2.gz DPXXJIXJCWAJGA-CQSZACIVSA-N 0 3 286.847 3.419 20 30 CGEDHN [NH3+][C@H]1CC[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC001580414942 962722636 /nfs/dbraw/zinc/72/26/36/962722636.db2.gz GROVLZHIUBDCAH-FZNQNYSPSA-N 0 3 298.386 3.075 20 30 CGEDHN CC[C@H](CN1CCCC1)Nc1nc(C)c(C#N)cc1Cl ZINC000589688039 346807500 /nfs/dbraw/zinc/80/75/00/346807500.db2.gz RKSIJUALEHASPI-CYBMUJFWSA-N 0 3 292.814 3.201 20 30 CGEDHN C[C@@H](c1ccncc1)N(C)CCOc1ccc(C#N)cc1 ZINC000127634186 187323109 /nfs/dbraw/zinc/32/31/09/187323109.db2.gz KIDCLIAUDQRWGT-AWEZNQCLSA-N 0 3 281.359 3.025 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCC(C)(C)CC1 ZINC000124650578 187147271 /nfs/dbraw/zinc/14/72/71/187147271.db2.gz XLUYADCQVBOADQ-AWEZNQCLSA-N 0 3 299.418 3.397 20 30 CGEDHN COc1ccc(CN(C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000125017844 187166015 /nfs/dbraw/zinc/16/60/15/187166015.db2.gz LUMZPRKDRDEDIT-UHFFFAOYSA-N 0 3 296.370 3.207 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cn3ccsc3n2)C1 ZINC000651690383 398269676 /nfs/dbraw/zinc/26/96/76/398269676.db2.gz CKZKHHNUAYSSIC-NWDGAFQWSA-N 0 3 261.394 3.230 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2cn3ccsc3n2)C1 ZINC000651690382 398269732 /nfs/dbraw/zinc/26/97/32/398269732.db2.gz CKZKHHNUAYSSIC-NEPJUHHUSA-N 0 3 261.394 3.230 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nccn2CC(F)(F)F)C1 ZINC000651699524 398270965 /nfs/dbraw/zinc/27/09/65/398270965.db2.gz YDEWULSXJMDYBF-RYUDHWBXSA-N 0 3 287.329 3.280 20 30 CGEDHN CCN(CC)[C@@H](CNc1nc(C#N)ccc1C)c1ccco1 ZINC000590575778 346852581 /nfs/dbraw/zinc/85/25/81/346852581.db2.gz TWPAKAKVBRIAFD-HNNXBMFYSA-N 0 3 298.390 3.350 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2csc(N(C)C)n2)C1 ZINC000651729039 398277526 /nfs/dbraw/zinc/27/75/26/398277526.db2.gz TZZATCXXQOEFTE-RYUDHWBXSA-N 0 3 265.426 3.044 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2nccn2CC(C)C)C1 ZINC000651751716 398282752 /nfs/dbraw/zinc/28/27/52/398282752.db2.gz FJKODPNKBNKCEU-CABCVRRESA-N 0 3 261.413 3.374 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2COCC2(C)C)cc1 ZINC000590761767 346872486 /nfs/dbraw/zinc/87/24/86/346872486.db2.gz JHRQMQSEESVFIX-OAHLLOKOSA-N 0 3 272.392 3.002 20 30 CGEDHN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000590779112 346875248 /nfs/dbraw/zinc/87/52/48/346875248.db2.gz WTMSLKHMFBUPHR-GOSISDBHSA-N 0 3 277.371 3.429 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000591474403 346925603 /nfs/dbraw/zinc/92/56/03/346925603.db2.gz CEZZVAZSUOTIGK-GJZGRUSLSA-N 0 3 280.456 3.310 20 30 CGEDHN C=CC(C)(C)CCNCc1c(OC)cc(OC)cc1OC ZINC000623592228 349843276 /nfs/dbraw/zinc/84/32/76/349843276.db2.gz CKAZIPKYSLUMFX-UHFFFAOYSA-N 0 3 293.407 3.404 20 30 CGEDHN N#CC[C@@]1(O)CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000592149630 346967113 /nfs/dbraw/zinc/96/71/13/346967113.db2.gz SLULCDILMZDGKF-LJQANCHMSA-N 0 3 290.366 3.107 20 30 CGEDHN C[C@@H]1CC(C)(C)CC[C@H]1NCc1ccncc1C#N ZINC000592106914 346963751 /nfs/dbraw/zinc/96/37/51/346963751.db2.gz VJTFZECKSGDXPN-IUODEOHRSA-N 0 3 257.381 3.258 20 30 CGEDHN CC(C(=O)N(CC#N)c1ccc(Cl)cc1)C(F)(F)F ZINC000592650665 347003208 /nfs/dbraw/zinc/00/32/08/347003208.db2.gz MXKPWWZYTHYHIJ-MRVPVSSYSA-N 0 3 290.672 3.395 20 30 CGEDHN CCn1cc(CN(Cc2ccc(CC#N)cc2)C(C)C)cn1 ZINC000593082259 347037707 /nfs/dbraw/zinc/03/77/07/347037707.db2.gz VBKBNRNJKPYXLD-UHFFFAOYSA-N 0 3 296.418 3.380 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593118705 347042285 /nfs/dbraw/zinc/04/22/85/347042285.db2.gz RJMIJANRAGDWCN-FZMZJTMJSA-N 0 3 262.303 3.350 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C2(CCC2)CO1 ZINC000593091348 347038730 /nfs/dbraw/zinc/03/87/30/347038730.db2.gz GQAHOLIBSHHPSP-CQSZACIVSA-N 0 3 264.413 3.350 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000051084524 345086705 /nfs/dbraw/zinc/08/67/05/345086705.db2.gz OCRMTJAKZZLJSF-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)C(C)(C)C#N)c1 ZINC000055283650 345146169 /nfs/dbraw/zinc/14/61/69/345146169.db2.gz UADCOHVMNOYVQL-UHFFFAOYSA-N 0 3 273.380 3.017 20 30 CGEDHN CC(C)(C)C[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000060889887 345224004 /nfs/dbraw/zinc/22/40/04/345224004.db2.gz RRAQNMRZNMHXRS-INIZCTEOSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCCCC#N ZINC000060366497 345214636 /nfs/dbraw/zinc/21/46/36/345214636.db2.gz OOVXFPDDFWXKTI-AWEZNQCLSA-N 0 3 295.427 3.059 20 30 CGEDHN CCC(CC)N(CCOC)Cc1cn2ccccc2c1C#N ZINC000064805989 345265373 /nfs/dbraw/zinc/26/53/73/345265373.db2.gz DPCJINJJRZPMOE-UHFFFAOYSA-N 0 3 299.418 3.448 20 30 CGEDHN CC(C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(F)(F)F ZINC000074720894 345479323 /nfs/dbraw/zinc/47/93/23/345479323.db2.gz YPJVWJACLDRXBS-QMMMGPOBSA-N 0 3 287.285 3.252 20 30 CGEDHN C=C(C)COc1cc(CN2CC[C@H](C)C2)ccc1OC ZINC000092471693 345842190 /nfs/dbraw/zinc/84/21/90/345842190.db2.gz LVRIJGFMLLCVEC-AWEZNQCLSA-N 0 3 275.392 3.492 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](C)C2)cc1OC ZINC000092471454 345842275 /nfs/dbraw/zinc/84/22/75/345842275.db2.gz FRKYPYUWSGLTMQ-ZDUSSCGKSA-N 0 3 261.365 3.102 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)CCCC(C)(C)C)CC1 ZINC000106035021 345929959 /nfs/dbraw/zinc/92/99/59/345929959.db2.gz ISCPNMMERJTRFH-UHFFFAOYSA-N 0 3 280.456 3.360 20 30 CGEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000165485659 346184587 /nfs/dbraw/zinc/18/45/87/346184587.db2.gz HNWCNVMNQCZCRN-CHWSQXEVSA-N 0 3 260.406 3.193 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)c2ccccc2CN1 ZINC000230230987 346320671 /nfs/dbraw/zinc/32/06/71/346320671.db2.gz TYPFGJOICJUPBR-CQSZACIVSA-N 0 3 277.371 3.057 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OCC(=C)Cl)cc1 ZINC000289675479 346423868 /nfs/dbraw/zinc/42/38/68/346423868.db2.gz HMMGZASUAIWUOV-OCCSQVGLSA-N 0 3 281.783 3.015 20 30 CGEDHN COc1c(C)cc(CN2CCC(C)(C#N)CC2)cc1C ZINC000334306766 346493586 /nfs/dbraw/zinc/49/35/86/346493586.db2.gz CYNHBPAGZVTKMN-UHFFFAOYSA-N 0 3 272.392 3.438 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC2(CC2(F)F)CC1 ZINC000404911201 346601875 /nfs/dbraw/zinc/60/18/75/346601875.db2.gz ULNHDBWSNNRKHI-UHFFFAOYSA-N 0 3 276.330 3.488 20 30 CGEDHN C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)N1[C@H](C)CC[C@H]1C ZINC000412224177 346607534 /nfs/dbraw/zinc/60/75/34/346607534.db2.gz ZJDBRQJEBYTKOG-KFWWJZLASA-N 0 3 293.455 3.036 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1cc2c(s1)CCC2 ZINC000537953141 346650976 /nfs/dbraw/zinc/65/09/76/346650976.db2.gz HQRMBWXVHCXHDR-LBPRGKRZSA-N 0 3 265.422 3.480 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(OC3CCCC3)c2)C1 ZINC000572228192 346667756 /nfs/dbraw/zinc/66/77/56/346667756.db2.gz FZPXCVPNZPNQHV-HIFRSBDPSA-N 0 3 285.391 3.185 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584616786 346693642 /nfs/dbraw/zinc/69/36/42/346693642.db2.gz LPYJICLYBNOWID-RISCZKNCSA-N 0 3 273.336 3.135 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC(F)(F)C1 ZINC000593789220 347116857 /nfs/dbraw/zinc/11/68/57/347116857.db2.gz DHMYSPAYBDELCK-AWEZNQCLSA-N 0 3 292.329 3.017 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC1CC2(CCC2)C1 ZINC000593882562 347117985 /nfs/dbraw/zinc/11/79/85/347117985.db2.gz RCENOSXIRMMSSO-HNNXBMFYSA-N 0 3 282.387 3.208 20 30 CGEDHN N#Cc1cnccc1CN1CCC[C@@H]1CC1CCCC1 ZINC000594053394 347145634 /nfs/dbraw/zinc/14/56/34/347145634.db2.gz PAAOMSYPHWRVNH-QGZVFWFLSA-N 0 3 269.392 3.498 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594442312 347174605 /nfs/dbraw/zinc/17/46/05/347174605.db2.gz CJZJTPSKXSQRBP-HUUCEWRRSA-N 0 3 293.455 3.072 20 30 CGEDHN CC(C)(C)[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594442307 347174916 /nfs/dbraw/zinc/17/49/16/347174916.db2.gz CJZJTPSKXSQRBP-GJZGRUSLSA-N 0 3 293.455 3.072 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)c(F)c1 ZINC000594509695 347182360 /nfs/dbraw/zinc/18/23/60/347182360.db2.gz KMIYPWCCWHEFMH-SJORKVTESA-N 0 3 288.366 3.135 20 30 CGEDHN COc1c(C)cccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000594512237 347184030 /nfs/dbraw/zinc/18/40/30/347184030.db2.gz VNKGRJJPKGPYFC-DZGCQCFKSA-N 0 3 258.365 3.176 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)s2)C1 ZINC000594516179 347185720 /nfs/dbraw/zinc/18/57/20/347185720.db2.gz BTAAWCPOXYLXMC-XYPYZODXSA-N 0 3 264.394 3.055 20 30 CGEDHN Cn1cc(CNCC2=CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000594990155 347250190 /nfs/dbraw/zinc/25/01/90/347250190.db2.gz NNZKDXBBJNVDPW-UHFFFAOYSA-N 0 3 292.386 3.159 20 30 CGEDHN C[C@H](NC[C@@]1(C)CC1(F)F)c1cccc(C#N)c1 ZINC000594732667 347214174 /nfs/dbraw/zinc/21/41/74/347214174.db2.gz WIRCANYHMUZONO-GXFFZTMASA-N 0 3 250.292 3.254 20 30 CGEDHN Cc1ncsc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594919695 347229644 /nfs/dbraw/zinc/22/96/44/347229644.db2.gz JRBXWHLOJDBACK-UHFFFAOYSA-N 0 3 283.400 3.297 20 30 CGEDHN C=CCCSCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000594959945 347241307 /nfs/dbraw/zinc/24/13/07/347241307.db2.gz GOFWSOMFYQIFGD-UHFFFAOYSA-N 0 3 280.393 3.302 20 30 CGEDHN C=CCCSCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000594960472 347241315 /nfs/dbraw/zinc/24/13/15/347241315.db2.gz QUWQNULDNQPWJY-ZDUSSCGKSA-N 0 3 298.477 3.394 20 30 CGEDHN C=CCCSCCNCc1cc(F)cc(F)c1 ZINC000594960872 347241808 /nfs/dbraw/zinc/24/18/08/347241808.db2.gz YYFVGLMIJQPRKP-UHFFFAOYSA-N 0 3 257.349 3.364 20 30 CGEDHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000595109110 347285148 /nfs/dbraw/zinc/28/51/48/347285148.db2.gz UEBGXNPADLAQRB-ZACQAIPSSA-N 0 3 270.376 3.093 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000595251850 347285833 /nfs/dbraw/zinc/28/58/33/347285833.db2.gz YDNFKWLUGBYZDF-GJZGRUSLSA-N 0 3 291.439 3.017 20 30 CGEDHN N#CCCN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000595391190 347297917 /nfs/dbraw/zinc/29/79/17/347297917.db2.gz GCWCCWPZDIVWAY-IEBWSBKVSA-N 0 3 297.446 3.102 20 30 CGEDHN CC1(C)C[C@H](N2CC=C(c3ccc(C#N)cc3)CC2)CO1 ZINC000595406190 347299411 /nfs/dbraw/zinc/29/94/11/347299411.db2.gz AHUQJZFUKULUBN-KRWDZBQOSA-N 0 3 282.387 3.215 20 30 CGEDHN CC1(C)C[C@@H](N2CC=C(c3ccc(C#N)cc3)CC2)CO1 ZINC000595406191 347299447 /nfs/dbraw/zinc/29/94/47/347299447.db2.gz AHUQJZFUKULUBN-QGZVFWFLSA-N 0 3 282.387 3.215 20 30 CGEDHN CO[C@H](CN[C@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595415419 347300211 /nfs/dbraw/zinc/30/02/11/347300211.db2.gz RFCGZFKBSMBIMM-MLGOLLRUSA-N 0 3 258.365 3.024 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(C(F)F)nc1 ZINC000595048974 347269333 /nfs/dbraw/zinc/26/93/33/347269333.db2.gz IHAPWALOUIHMSF-JTQLQIEISA-N 0 3 265.307 3.364 20 30 CGEDHN C[C@H](COc1c(F)cccc1F)N[C@H]1CC[C@@H](C#N)C1 ZINC000595071889 347277420 /nfs/dbraw/zinc/27/74/20/347277420.db2.gz CEJDQGLEJRAXPF-UTUOFQBUSA-N 0 3 280.318 3.014 20 30 CGEDHN CC(C)[C@H](O)[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000595097134 347282467 /nfs/dbraw/zinc/28/24/67/347282467.db2.gz PUVCSVMFCZVUCJ-SPUZQDLCSA-N 0 3 286.419 3.417 20 30 CGEDHN CC[C@H](C)N(CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595598530 347323503 /nfs/dbraw/zinc/32/35/03/347323503.db2.gz FXNRVUPNXSJDNG-WMLDXEAASA-N 0 3 299.418 3.174 20 30 CGEDHN CC[C@H](C)N(CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595600208 347324350 /nfs/dbraw/zinc/32/43/50/347324350.db2.gz OALWOUCCBWUTNL-NSHDSACASA-N 0 3 293.798 3.271 20 30 CGEDHN N#CC[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000595622672 347329718 /nfs/dbraw/zinc/32/97/18/347329718.db2.gz CMCINGSEJWNDHM-HNNXBMFYSA-N 0 3 259.397 3.476 20 30 CGEDHN Cc1cncc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000595639062 347331320 /nfs/dbraw/zinc/33/13/20/347331320.db2.gz GGEPECOUHHAHOM-UHFFFAOYSA-N 0 3 265.360 3.287 20 30 CGEDHN C=CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)(C)C ZINC000595764892 347352616 /nfs/dbraw/zinc/35/26/16/347352616.db2.gz GNMIIUNDDHKSDQ-UHFFFAOYSA-N 0 3 278.352 3.390 20 30 CGEDHN C=CCC1(NCc2ccc(C(=O)OC)o2)CCCC1 ZINC000595780547 347355069 /nfs/dbraw/zinc/35/50/69/347355069.db2.gz UTGBCAVTGKNNNC-UHFFFAOYSA-N 0 3 263.337 3.045 20 30 CGEDHN C[C@H](NC[C@@H](O)CCc1ccccc1)c1ccc(C#N)cc1 ZINC000273307119 192106165 /nfs/dbraw/zinc/10/61/65/192106165.db2.gz VTVATVBUBLTJJS-KXBFYZLASA-N 0 3 294.398 3.203 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](CC)C(=O)OC(C)(C)C ZINC000595845453 347367336 /nfs/dbraw/zinc/36/73/36/347367336.db2.gz OOKFJPJIROIWFF-MJBXVCDLSA-N 0 3 265.397 3.290 20 30 CGEDHN CCN(CCOc1ccccc1OC)[C@H]1CC[C@@H](C#N)C1 ZINC000595884550 347370084 /nfs/dbraw/zinc/37/00/84/347370084.db2.gz HVABWGMSQQNBOV-CABCVRRESA-N 0 3 288.391 3.088 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)nc1 ZINC000595917735 347372656 /nfs/dbraw/zinc/37/26/56/347372656.db2.gz SZIILAHDLSNBOB-HOCLYGCPSA-N 0 3 255.365 3.108 20 30 CGEDHN N#Cc1c(N[C@H]2CCN(C3CC3)C2)cccc1C(F)F ZINC000596091555 347382480 /nfs/dbraw/zinc/38/24/80/347382480.db2.gz NIFNOVXMNTWERK-JTQLQIEISA-N 0 3 277.318 3.144 20 30 CGEDHN C=CCN1CCC(Nc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596115600 347384757 /nfs/dbraw/zinc/38/47/57/347384757.db2.gz CZESSQPQLKMMBU-UHFFFAOYSA-N 0 3 281.381 3.027 20 30 CGEDHN CC(C)C1CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597117794 347537382 /nfs/dbraw/zinc/53/73/82/347537382.db2.gz WOPLVDVRPCDILX-UHFFFAOYSA-N 0 3 254.377 3.330 20 30 CGEDHN CC[C@@](C)(NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598251850 347638475 /nfs/dbraw/zinc/63/84/75/347638475.db2.gz WFPRQQSHWJOUEM-CRAIPNDOSA-N 0 3 284.403 3.454 20 30 CGEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccn1 ZINC000598976081 347703075 /nfs/dbraw/zinc/70/30/75/347703075.db2.gz TYFONYDFAJTLHU-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN Cc1cccc2c1C[C@@H](NCc1ccc(C#N)cc1F)CO2 ZINC000598987708 347704120 /nfs/dbraw/zinc/70/41/20/347704120.db2.gz UKURLZAVYKFILO-OAHLLOKOSA-N 0 3 296.345 3.099 20 30 CGEDHN CCCN(Cc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598587920 347667725 /nfs/dbraw/zinc/66/77/25/347667725.db2.gz WGBMSKLEZDLFGS-OAHLLOKOSA-N 0 3 292.398 3.338 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@@H]1c1ccco1 ZINC000598593625 347668263 /nfs/dbraw/zinc/66/82/63/347668263.db2.gz VLGFKKYSQGIJPB-ZIAGYGMSSA-N 0 3 276.380 3.107 20 30 CGEDHN CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598622211 347672406 /nfs/dbraw/zinc/67/24/06/347672406.db2.gz GHCVIGQECLPZAV-DOMZBBRYSA-N 0 3 278.371 3.167 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2cccc(F)c2)CCC1 ZINC000598626552 347673199 /nfs/dbraw/zinc/67/31/99/347673199.db2.gz XWWKSTCDUJKWHL-OAHLLOKOSA-N 0 3 290.382 3.095 20 30 CGEDHN Cc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1C#N ZINC000599304048 347733310 /nfs/dbraw/zinc/73/33/10/347733310.db2.gz PKBNOTVFAFTWGN-CHWSQXEVSA-N 0 3 260.406 3.193 20 30 CGEDHN Cc1ccc(CN[C@@H](CCO)c2ccccc2)cc1C#N ZINC000599349292 347738105 /nfs/dbraw/zinc/73/81/05/347738105.db2.gz OAJXHQCCVREISF-SFHVURJKSA-N 0 3 280.371 3.080 20 30 CGEDHN Cc1ccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1C#N ZINC000599352584 347738170 /nfs/dbraw/zinc/73/81/70/347738170.db2.gz DHJOPPQHPICXPJ-IRXDYDNUSA-N 0 3 286.419 3.096 20 30 CGEDHN Cc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C#N ZINC000599430242 347743756 /nfs/dbraw/zinc/74/37/56/347743756.db2.gz XPHVOQISHAPKLJ-CABCVRRESA-N 0 3 276.330 3.344 20 30 CGEDHN C[C@@H]1CN(CCC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599580889 347756120 /nfs/dbraw/zinc/75/61/20/347756120.db2.gz HFDFXHOFZIBQLO-KGLIPLIRSA-N 0 3 294.439 3.226 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000600179809 347789631 /nfs/dbraw/zinc/78/96/31/347789631.db2.gz WPKSBHWTGBKBQB-CYBMUJFWSA-N 0 3 253.349 3.294 20 30 CGEDHN N#CCc1ccc(CNCc2ccc(C(F)F)nc2)cc1 ZINC000601130784 347872722 /nfs/dbraw/zinc/87/27/22/347872722.db2.gz YVZFVXLUTRYMKR-UHFFFAOYSA-N 0 3 287.313 3.375 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 ZINC000601149404 347874833 /nfs/dbraw/zinc/87/48/33/347874833.db2.gz JYBZREHMFNWCKE-GPCCPHFNSA-N 0 3 298.308 3.233 20 30 CGEDHN C[C@@H]1C[C@H](NCc2cccc(OCCCC#N)c2)[C@@H](C)O1 ZINC000601149713 347875466 /nfs/dbraw/zinc/87/54/66/347875466.db2.gz QJYMVFLZKXJGPO-CPUCHLNUSA-N 0 3 288.391 3.025 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3c2CCOC3)cc1F ZINC000601151898 347875583 /nfs/dbraw/zinc/87/55/83/347875583.db2.gz HLTPAEHMTGKPHZ-UHFFFAOYSA-N 0 3 296.345 3.060 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000601286923 347888878 /nfs/dbraw/zinc/88/88/78/347888878.db2.gz CDSGPOIIGBPOOB-HONMWMINSA-N 0 3 298.308 3.021 20 30 CGEDHN COc1ccccc1C(C)(C)CNCc1cccc(C#N)n1 ZINC000602529392 347976622 /nfs/dbraw/zinc/97/66/22/347976622.db2.gz BGWZKBUTOCCTSA-UHFFFAOYSA-N 0 3 295.386 3.029 20 30 CGEDHN CC[C@](C)(CN(Cc1ccc(C#N)cc1)C1CC1)OC ZINC000602442470 347959377 /nfs/dbraw/zinc/95/93/77/347959377.db2.gz YWRXYGRXPFEYRN-QGZVFWFLSA-N 0 3 272.392 3.338 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2Cc2cccc(F)c2)n1 ZINC000602452184 347960094 /nfs/dbraw/zinc/96/00/94/347960094.db2.gz IMJVCAAWSGIBRR-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN CC[C@@H](C)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000602535673 347977549 /nfs/dbraw/zinc/97/75/49/347977549.db2.gz WVNSQFKVPPEVTK-IUODEOHRSA-N 0 3 273.380 3.160 20 30 CGEDHN C[C@H](CCC#N)CN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602483554 347967242 /nfs/dbraw/zinc/96/72/42/347967242.db2.gz MPSAMWGGNFVFOR-ARGWCVDVSA-N 0 3 292.448 3.357 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1F ZINC000602500281 347970606 /nfs/dbraw/zinc/97/06/06/347970606.db2.gz YGECAFHFOXFKJY-CYBMUJFWSA-N 0 3 276.355 3.014 20 30 CGEDHN Cc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602503557 347971135 /nfs/dbraw/zinc/97/11/35/347971135.db2.gz LHJVXHDPYVECFS-HNNXBMFYSA-N 0 3 272.392 3.184 20 30 CGEDHN N#Cc1cccc(CN[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000602587985 347989668 /nfs/dbraw/zinc/98/96/68/347989668.db2.gz KOIBNPSRVXQOML-CVEARBPZSA-N 0 3 255.365 3.012 20 30 CGEDHN C[C@@H](CCC#N)CN1Cc2ccccc2OC[C@@H]1C ZINC000602598714 347991175 /nfs/dbraw/zinc/99/11/75/347991175.db2.gz DUNHYCMEYMTNTC-KBPBESRZSA-N 0 3 258.365 3.209 20 30 CGEDHN C[C@H](CCC#N)CN[C@@H](C)c1ccc(Br)cn1 ZINC000602637057 347997593 /nfs/dbraw/zinc/99/75/93/347997593.db2.gz BDVFYBHBVCERGM-MNOVXSKESA-N 0 3 296.212 3.435 20 30 CGEDHN N#Cc1cccc(CNCC2(C3CCC3)CCC2)n1 ZINC000602687289 348009006 /nfs/dbraw/zinc/00/90/06/348009006.db2.gz JZTZALOFQWBGOI-UHFFFAOYSA-N 0 3 255.365 3.013 20 30 CGEDHN C=CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602711259 348015769 /nfs/dbraw/zinc/01/57/69/348015769.db2.gz QNPJBCORFVHGGB-UHFFFAOYSA-N 0 3 291.170 3.085 20 30 CGEDHN COc1ccc([C@H](C)N(C)CC2(CC#N)CC2)cc1 ZINC000602758063 348024488 /nfs/dbraw/zinc/02/44/88/348024488.db2.gz ISUDEYKBFOOODD-ZDUSSCGKSA-N 0 3 258.365 3.382 20 30 CGEDHN CC(C)(CCc1ccccc1)NCc1cccc(C#N)n1 ZINC000602537441 347977610 /nfs/dbraw/zinc/97/76/10/347977610.db2.gz PUYZYXUKHLABAB-UHFFFAOYSA-N 0 3 279.387 3.454 20 30 CGEDHN COc1cc(F)c([C@@H](C)NC[C@H](C)CCC#N)cc1OC ZINC000602548410 347980089 /nfs/dbraw/zinc/98/00/89/347980089.db2.gz YMUUWFBKKGZBHK-VXGBXAGGSA-N 0 3 294.370 3.433 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@H]1CCO[C@H]1C ZINC000602775809 348027375 /nfs/dbraw/zinc/02/73/75/348027375.db2.gz BEZHQCOSSUWLDN-DZGCQCFKSA-N 0 3 252.402 3.063 20 30 CGEDHN N#CCC1(CN(CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000602790662 348030735 /nfs/dbraw/zinc/03/07/35/348030735.db2.gz MGRPHEXTJCFFHD-QGZVFWFLSA-N 0 3 284.403 3.052 20 30 CGEDHN N#CCC1(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000602804394 348031623 /nfs/dbraw/zinc/03/16/23/348031623.db2.gz FEIZXVSILXYWLW-CYBMUJFWSA-N 0 3 298.308 3.022 20 30 CGEDHN CC1(C)CN(CC2(CC#N)CC2)CC2(CCCC2)O1 ZINC000602814003 348033290 /nfs/dbraw/zinc/03/32/90/348033290.db2.gz BEOSANBOCIWJID-UHFFFAOYSA-N 0 3 262.397 3.104 20 30 CGEDHN N#CCC1(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000602823317 348034222 /nfs/dbraw/zinc/03/42/22/348034222.db2.gz CPSWOOVVZRDQEE-OAHLLOKOSA-N 0 3 298.434 3.093 20 30 CGEDHN CC1(C)CN(CC2(CC#N)CC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000602823969 348034226 /nfs/dbraw/zinc/03/42/26/348034226.db2.gz FZLHULPGVPSJNC-VKJFTORMSA-N 0 3 288.435 3.350 20 30 CGEDHN C[C@@H]1CN(CC/C=C/c2ccccc2)C[C@H](C)N1CC#N ZINC000602848205 348036486 /nfs/dbraw/zinc/03/64/86/348036486.db2.gz FLXXFGSKXWHXRR-CHAYFFTQSA-N 0 3 283.419 3.008 20 30 CGEDHN N#Cc1ccccc1NC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000602893001 348041074 /nfs/dbraw/zinc/04/10/74/348041074.db2.gz ADHDEAJHTNZPBQ-RHSMWYFYSA-N 0 3 294.402 3.127 20 30 CGEDHN N#Cc1c(F)cccc1N1CCN(CC2CCCC2)CC1 ZINC000603681031 348093142 /nfs/dbraw/zinc/09/31/42/348093142.db2.gz DEYWCENMNNJJIQ-UHFFFAOYSA-N 0 3 287.382 3.010 20 30 CGEDHN CC#CCN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000607727512 348258388 /nfs/dbraw/zinc/25/83/88/348258388.db2.gz NSNOTUPZMJQGCD-AWEZNQCLSA-N 0 3 257.377 3.319 20 30 CGEDHN CCCCN(C(=O)C(C)C#N)[C@H](C)c1ccc(C)o1 ZINC000609920750 348357836 /nfs/dbraw/zinc/35/78/36/348357836.db2.gz GOGJCFAXFKSUJW-DGCLKSJQSA-N 0 3 262.353 3.437 20 30 CGEDHN CN(CC(=O)N(C)C1CCCCC1)CC(C)(C)CCC#N ZINC000611254502 348432150 /nfs/dbraw/zinc/43/21/50/348432150.db2.gz UZQLFGCCZFHZCD-UHFFFAOYSA-N 0 3 293.455 3.039 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(O)cc1 ZINC000611392519 348445412 /nfs/dbraw/zinc/44/54/12/348445412.db2.gz RWFZMZWEOLQWRX-SFHVURJKSA-N 0 3 278.355 3.431 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611394442 348446228 /nfs/dbraw/zinc/44/62/28/348446228.db2.gz JKTXZPBCYXIAEF-KRWDZBQOSA-N 0 3 270.376 3.118 20 30 CGEDHN C[C@H](NCCN1Cc2ccccc2C1)c1ccc(C#N)cc1 ZINC000611438188 348452247 /nfs/dbraw/zinc/45/22/47/348452247.db2.gz DRNVTMCCWSKSBN-HNNXBMFYSA-N 0 3 291.398 3.225 20 30 CGEDHN Cc1csc(CCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000611586882 348462393 /nfs/dbraw/zinc/46/23/93/348462393.db2.gz VLVYMBFUJKOEGZ-NSHDSACASA-N 0 3 289.379 3.356 20 30 CGEDHN CCO[C@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167955 348654116 /nfs/dbraw/zinc/65/41/16/348654116.db2.gz DIEXWCNCTIYDIY-KRWDZBQOSA-N 0 3 286.419 3.489 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCC(C)(CO)CC2)cc1 ZINC000614185889 348656970 /nfs/dbraw/zinc/65/69/70/348656970.db2.gz DIZJYZYBOPHWJO-UHFFFAOYSA-N 0 3 286.419 3.082 20 30 CGEDHN CC(C)(CC(F)(F)F)NCc1cc(C#N)cs1 ZINC000614822319 348695013 /nfs/dbraw/zinc/69/50/13/348695013.db2.gz CGEOYRTWGOETPM-UHFFFAOYSA-N 0 3 262.300 3.440 20 30 CGEDHN CN(C)CCOc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000618574548 349109838 /nfs/dbraw/zinc/10/98/38/349109838.db2.gz BWJXIBMROHVHHY-CABCVRRESA-N 0 3 287.407 3.121 20 30 CGEDHN Cc1cc(CN(C)CCOC(C)(C)C)ccc1C#N ZINC000618594295 349115695 /nfs/dbraw/zinc/11/56/95/349115695.db2.gz DHQOQVRVHNVTEU-UHFFFAOYSA-N 0 3 260.381 3.114 20 30 CGEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000358878765 233208260 /nfs/dbraw/zinc/20/82/60/233208260.db2.gz VFQVOYSMTOXUNT-NWDGAFQWSA-N 0 3 292.814 3.139 20 30 CGEDHN C=CCC1(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CCCC1 ZINC000619104473 349203335 /nfs/dbraw/zinc/20/33/35/349203335.db2.gz MRTCFDXBFAJNHD-QLFBSQMISA-N 0 3 278.440 3.253 20 30 CGEDHN C=CCC1(NC(=O)[C@H](CC)N(CC)CC)CCCC1 ZINC000619108607 349204459 /nfs/dbraw/zinc/20/44/59/349204459.db2.gz YTCBMYRNNGMBEX-AWEZNQCLSA-N 0 3 266.429 3.112 20 30 CGEDHN COc1ccc([C@@H](C)[C@H](C)NCC(C)(C)C#N)cc1OC ZINC000619428960 349248817 /nfs/dbraw/zinc/24/88/17/349248817.db2.gz VZFAUWSIZMRJOI-STQMWFEESA-N 0 3 290.407 3.335 20 30 CGEDHN Cc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)[nH]n1 ZINC000619508343 349254541 /nfs/dbraw/zinc/25/45/41/349254541.db2.gz CGBVUHZJCGWHCJ-KRWDZBQOSA-N 0 3 280.375 3.147 20 30 CGEDHN Cc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000619508343 349254543 /nfs/dbraw/zinc/25/45/43/349254543.db2.gz CGBVUHZJCGWHCJ-KRWDZBQOSA-N 0 3 280.375 3.147 20 30 CGEDHN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccnc(C#N)c2)C1 ZINC000619517244 349255486 /nfs/dbraw/zinc/25/54/86/349255486.db2.gz IUEMEVJDXMGGRQ-GOSISDBHSA-N 0 3 295.361 3.256 20 30 CGEDHN C=CCCC(C)(C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000620858736 349430299 /nfs/dbraw/zinc/43/02/99/349430299.db2.gz PTHXAIIJEASEPN-AWEZNQCLSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCCCN(C)Cc1cccnc1C(F)(F)F ZINC000625178080 350136501 /nfs/dbraw/zinc/13/65/01/350136501.db2.gz ZNBKWSMFVGRVHO-UHFFFAOYSA-N 0 3 258.287 3.498 20 30 CGEDHN C=CCN(CC(=O)N[C@H](C)c1ccccc1)C(C)(C)C ZINC000625538188 350182898 /nfs/dbraw/zinc/18/28/98/350182898.db2.gz DIBWKVNOPCCTMF-CQSZACIVSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000628405862 350529829 /nfs/dbraw/zinc/52/98/29/350529829.db2.gz WIVDXJUSRHBSLC-CQSZACIVSA-N 0 3 267.376 3.475 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000628406467 350530047 /nfs/dbraw/zinc/53/00/47/350530047.db2.gz KLIALFNRWFWNKW-OAHLLOKOSA-N 0 3 273.424 3.324 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2sc(C)cc2C)CC1 ZINC000630944411 350913666 /nfs/dbraw/zinc/91/36/66/350913666.db2.gz YDEVXFHEQNTILG-UHFFFAOYSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(CNCc1cnc(CCOC)s1)c1ccccc1 ZINC000631054665 350938141 /nfs/dbraw/zinc/93/81/41/350938141.db2.gz SPFMYBKWVXPRRS-UHFFFAOYSA-N 0 3 288.416 3.135 20 30 CGEDHN C=CCCNCc1cc(OC)c(OC)cc1Cl ZINC000631174037 350978554 /nfs/dbraw/zinc/97/85/54/350978554.db2.gz VHDUQQGMOGZYTP-UHFFFAOYSA-N 0 3 255.745 3.023 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1cccc(OC)c1OC ZINC000631599384 351085524 /nfs/dbraw/zinc/08/55/24/351085524.db2.gz KKEQADLKHJBQRL-OAHLLOKOSA-N 0 3 293.407 3.337 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)NCCC(C)(C)CC)CC1 ZINC000632987001 351236169 /nfs/dbraw/zinc/23/61/69/351236169.db2.gz TVMVYZBZVQNVPK-UHFFFAOYSA-N 0 3 295.471 3.152 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000633096061 351242468 /nfs/dbraw/zinc/24/24/68/351242468.db2.gz AASYAVMHBFVFBF-RDJZCZTQSA-N 0 3 298.430 3.122 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000271566227 191216807 /nfs/dbraw/zinc/21/68/07/191216807.db2.gz VDAAXTWFQOITMM-OAHLLOKOSA-N 0 3 285.391 3.116 20 30 CGEDHN C=CCC[C@@H](NCc1cc(=O)c(OC)co1)c1ccccc1 ZINC000271678517 191272967 /nfs/dbraw/zinc/27/29/67/191272967.db2.gz BKYGFYVRHUDECN-MRXNPFEDSA-N 0 3 299.370 3.446 20 30 CGEDHN CSC[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000157246688 188305945 /nfs/dbraw/zinc/30/59/45/188305945.db2.gz FAZYWRXRQPBYRS-HNNXBMFYSA-N 0 3 263.381 3.005 20 30 CGEDHN N#C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C1CCCCC1 ZINC000329864237 283064670 /nfs/dbraw/zinc/06/46/70/283064670.db2.gz ZNRFPFVVWNMXLS-HOTGVXAUSA-N 0 3 289.423 3.290 20 30 CGEDHN C[C@H](NC[C@](C)(O)c1cccs1)c1ccc(C#N)cc1 ZINC000271820696 191346807 /nfs/dbraw/zinc/34/68/07/191346807.db2.gz CGPOMHGONOEQHH-LRDDRELGSA-N 0 3 286.400 3.178 20 30 CGEDHN N#Cc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000177207375 283141957 /nfs/dbraw/zinc/14/19/57/283141957.db2.gz NKZWETIZZBGGKX-HOTGVXAUSA-N 0 3 272.417 3.418 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(OC(F)F)c1)C1CC1 ZINC000273523336 192185313 /nfs/dbraw/zinc/18/53/13/192185313.db2.gz SVSFIMZWNMDFKX-UHFFFAOYSA-N 0 3 283.318 3.447 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccs1)CC2 ZINC000334594140 283197011 /nfs/dbraw/zinc/19/70/11/283197011.db2.gz XNBFPYICYYVPRE-HNNXBMFYSA-N 0 3 254.358 3.397 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000176746396 189006825 /nfs/dbraw/zinc/00/68/25/189006825.db2.gz BBWSMHORAWIHQK-MSOLQXFVSA-N 0 3 278.355 3.178 20 30 CGEDHN N#Cc1cccc(C2(NCC[C@H]3CCCCO3)CC2)c1 ZINC000341967512 216170850 /nfs/dbraw/zinc/17/08/50/216170850.db2.gz LQXLDWUZJRZAJV-MRXNPFEDSA-N 0 3 270.376 3.096 20 30 CGEDHN CC[C@@H](CNCc1ccc(C#N)o1)Oc1ccccc1C ZINC000178615685 189131485 /nfs/dbraw/zinc/13/14/85/189131485.db2.gz ICEBRSIABKKSCB-AWEZNQCLSA-N 0 3 284.359 3.407 20 30 CGEDHN C[C@H](NCCSC(F)(F)F)c1cccc(C#N)c1 ZINC000181543093 189299712 /nfs/dbraw/zinc/29/97/12/189299712.db2.gz KKKMVEQPWZTBLQ-VIFPVBQESA-N 0 3 274.311 3.462 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C12CCC2 ZINC000120950148 370815897 /nfs/dbraw/zinc/81/58/97/370815897.db2.gz PWGBGFZHBHXGMS-IAGOWNOFSA-N 0 3 284.403 3.338 20 30 CGEDHN CCOC[C@@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000459673727 242172789 /nfs/dbraw/zinc/17/27/89/242172789.db2.gz KAOBENUFJYXGFL-KRWDZBQOSA-N 0 3 272.392 3.258 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000275974682 193177881 /nfs/dbraw/zinc/17/78/81/193177881.db2.gz DDKIUXKPXMASAK-INIZCTEOSA-N 0 3 260.381 3.289 20 30 CGEDHN Cc1c(Cl)cnc(N[C@H](C)CN2CCCCC2)c1C#N ZINC000343447304 216775722 /nfs/dbraw/zinc/77/57/22/216775722.db2.gz ZCWRDDVBNWFPAS-LLVKDONJSA-N 0 3 292.814 3.201 20 30 CGEDHN C=C[C@H](CC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000127054429 370948650 /nfs/dbraw/zinc/94/86/50/370948650.db2.gz SNCUZKYUUGOAHU-AEFFLSMTSA-N 0 3 298.430 3.043 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1ccc(F)cc1 ZINC000125628845 370938603 /nfs/dbraw/zinc/93/86/03/370938603.db2.gz PDLIEYKXWRTELR-OAHLLOKOSA-N 0 3 251.345 3.459 20 30 CGEDHN C=C(C)COCCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000125813695 370941635 /nfs/dbraw/zinc/94/16/35/370941635.db2.gz OZNSJNATJHUJNI-UHFFFAOYSA-N 0 3 299.798 3.040 20 30 CGEDHN C=C(C)COCCNCc1cccc(OCCC)c1 ZINC000125814661 370941669 /nfs/dbraw/zinc/94/16/69/370941669.db2.gz RFWSJBODZAAODX-UHFFFAOYSA-N 0 3 263.381 3.158 20 30 CGEDHN C=C(C)CNCc1cnc2c(C)cc(Br)cn12 ZINC000276069456 193203683 /nfs/dbraw/zinc/20/36/83/193203683.db2.gz VZXANTQXXBDICZ-UHFFFAOYSA-N 0 3 294.196 3.071 20 30 CGEDHN C[C@H](NC[C@H](O)C1CCCCC1)c1ccc(C#N)cc1F ZINC000330777798 203223893 /nfs/dbraw/zinc/22/38/93/203223893.db2.gz ASWHOEBKYJQLOG-SJCJKPOMSA-N 0 3 290.382 3.289 20 30 CGEDHN C[C@@H](C1CC1)N(Cc1cc(C#N)ccc1F)C1CC1 ZINC000046059931 369289968 /nfs/dbraw/zinc/28/99/68/369289968.db2.gz HMHVJTIEXJLFRC-NSHDSACASA-N 0 3 258.340 3.460 20 30 CGEDHN N#Cc1cccnc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000046228786 369291412 /nfs/dbraw/zinc/29/14/12/369291412.db2.gz VBRSSAQABQUZBK-QGZVFWFLSA-N 0 3 292.386 3.202 20 30 CGEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1)c1ccsc1 ZINC000048520185 369356859 /nfs/dbraw/zinc/35/68/59/369356859.db2.gz VWVYSGKOMBXOPS-INIZCTEOSA-N 0 3 285.416 3.012 20 30 CGEDHN C=CCC[C@@H](O)CN1CCSC[C@H]1c1ccc(C)cc1 ZINC000129275128 370980675 /nfs/dbraw/zinc/98/06/75/370980675.db2.gz NTVSLUUPASHYRD-SJORKVTESA-N 0 3 291.460 3.412 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062016458 369614179 /nfs/dbraw/zinc/61/41/79/369614179.db2.gz CJXJQBLKQSPISD-UWVGGRQHSA-N 0 3 250.729 3.019 20 30 CGEDHN CCCCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000073601587 369860213 /nfs/dbraw/zinc/86/02/13/369860213.db2.gz HWNWRYNFPYBTOG-ISXOHVOVSA-N 0 3 293.455 3.038 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc2ccccc2n1 ZINC000090883650 370070245 /nfs/dbraw/zinc/07/02/45/370070245.db2.gz YPSLFSGSHBZFHG-CQSZACIVSA-N 0 3 270.376 3.478 20 30 CGEDHN COc1ccc(CN2CCCCC2)cc1OCCCC#N ZINC000092107379 370093486 /nfs/dbraw/zinc/09/34/86/370093486.db2.gz FUGCVQMHNBHZDJ-UHFFFAOYSA-N 0 3 288.391 3.364 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000093439464 370129509 /nfs/dbraw/zinc/12/95/09/370129509.db2.gz RUXARKLPPFSYMM-INIZCTEOSA-N 0 3 256.349 3.474 20 30 CGEDHN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)cc1 ZINC000109784240 370365778 /nfs/dbraw/zinc/36/57/78/370365778.db2.gz KYUIBWIRQVVTFS-ZDUSSCGKSA-N 0 3 266.344 3.457 20 30 CGEDHN CC(C)[C@H](C(=O)Nc1ccc(CC#N)cc1)N1CCCCC1 ZINC000104209475 370339962 /nfs/dbraw/zinc/33/99/62/370339962.db2.gz MZPGSVCGQBSLSS-QGZVFWFLSA-N 0 3 299.418 3.202 20 30 CGEDHN C=CCSCCNCc1ccccc1OC(C)C ZINC000105462609 370349723 /nfs/dbraw/zinc/34/97/23/370349723.db2.gz ALBBVAFZFDSOHM-UHFFFAOYSA-N 0 3 265.422 3.483 20 30 CGEDHN C[C@H](NCCOC1CCCC1)c1ccc(C#N)cc1 ZINC000111634274 370403039 /nfs/dbraw/zinc/40/30/39/370403039.db2.gz NUBIWUFXCVXUOH-ZDUSSCGKSA-N 0 3 258.365 3.168 20 30 CGEDHN CC(C)C[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512619470 245042130 /nfs/dbraw/zinc/04/21/30/245042130.db2.gz MAWBYBZLJGWRHR-HIFRSBDPSA-N 0 3 291.414 3.324 20 30 CGEDHN C[C@@H](NCCc1ccccc1O)c1ccc(C#N)cc1F ZINC000512610425 245042455 /nfs/dbraw/zinc/04/24/55/245042455.db2.gz BASOIKWJKKDSSG-GFCCVEGCSA-N 0 3 284.334 3.296 20 30 CGEDHN CC[C@@H](c1ccncc1)N(C)CCOc1ccc(C#N)cc1 ZINC000130265313 371021793 /nfs/dbraw/zinc/02/17/93/371021793.db2.gz BVNAOIDHCYXBES-SFHVURJKSA-N 0 3 295.386 3.415 20 30 CGEDHN C=CCCOCCNCc1ccc(Cl)cc1C ZINC000130361142 371027880 /nfs/dbraw/zinc/02/78/80/371027880.db2.gz QISQPMAZBVPOAB-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN CS[C@@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000134565342 371350431 /nfs/dbraw/zinc/35/04/31/371350431.db2.gz HWKZSWUYUHJMIC-CQSZACIVSA-N 0 3 278.396 3.415 20 30 CGEDHN CSCCN(C)Cc1ccccc1C(C)(C)C#N ZINC000135283722 371410683 /nfs/dbraw/zinc/41/06/83/371410683.db2.gz ZEDKPSFWTSHXRS-UHFFFAOYSA-N 0 3 262.422 3.283 20 30 CGEDHN COc1ccc(CN(C)CCc2ccc(F)cc2)cc1C#N ZINC000135001948 371383030 /nfs/dbraw/zinc/38/30/30/371383030.db2.gz LCBSNTXGLMSYFX-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)CC2 ZINC000421887203 371698584 /nfs/dbraw/zinc/69/85/84/371698584.db2.gz SMOVWWJGCKVWFJ-MRXNPFEDSA-N 0 3 284.384 3.405 20 30 CGEDHN C#C[C@H](NCc1c(C)nn(C(C)(C)C)c1C)C(C)C ZINC000289350231 371755556 /nfs/dbraw/zinc/75/55/56/371755556.db2.gz JAPLGVFVLDIPRP-HNNXBMFYSA-N 0 3 261.413 3.002 20 30 CGEDHN N#Cc1cc(CN[C@H]2CCCC[C@H]2OC(F)F)ccc1F ZINC000337382518 214043152 /nfs/dbraw/zinc/04/31/52/214043152.db2.gz DPFHXIRRQKYLPT-UONOGXRCSA-N 0 3 298.308 3.337 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000289853106 371840294 /nfs/dbraw/zinc/84/02/94/371840294.db2.gz QNIFPOZNEHAFAI-PELKAZGASA-N 0 3 260.164 3.191 20 30 CGEDHN C=C(C)CN(CC)Cc1c[nH]nc1-c1ccccc1 ZINC000158994520 372096423 /nfs/dbraw/zinc/09/64/23/372096423.db2.gz GLCRJYICYIKBGS-UHFFFAOYSA-N 0 3 255.365 3.475 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000424771371 372098937 /nfs/dbraw/zinc/09/89/37/372098937.db2.gz CNJKQEREQYIAEZ-HOCLYGCPSA-N 0 3 288.435 3.396 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(NC(C)=O)cc1 ZINC000426557580 372164948 /nfs/dbraw/zinc/16/49/48/372164948.db2.gz FYTLLIDNIBYFPR-INIZCTEOSA-N 0 3 258.365 3.186 20 30 CGEDHN C=CCCCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000292191300 372183303 /nfs/dbraw/zinc/18/33/03/372183303.db2.gz PCIMIJAORCLXBL-AWEZNQCLSA-N 0 3 262.401 3.372 20 30 CGEDHN CCC1(CC)[C@H](NCc2cc(C#N)ccc2F)C[C@H]1OC ZINC000344292710 217135945 /nfs/dbraw/zinc/13/59/45/217135945.db2.gz GCRWJTMYUBIIIV-HZPDHXFCSA-N 0 3 290.382 3.381 20 30 CGEDHN Cc1cccc(NCCN[C@@H](C)c2cccc(C#N)c2)n1 ZINC000344281061 217132943 /nfs/dbraw/zinc/13/29/43/217132943.db2.gz AHQCXIROBYJYKU-AWEZNQCLSA-N 0 3 280.375 3.024 20 30 CGEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1cccc(C#N)c1 ZINC000344320588 217147248 /nfs/dbraw/zinc/14/72/48/217147248.db2.gz IKUFWOAYJJRPEJ-CHWSQXEVSA-N 0 3 288.391 3.329 20 30 CGEDHN C=CCOCCCNC(C)(C)c1ccccc1F ZINC000429235806 372325817 /nfs/dbraw/zinc/32/58/17/372325817.db2.gz JWEFCPJFVQNQHB-UHFFFAOYSA-N 0 3 251.345 3.243 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cnn(Cc2ccccc2)c1 ZINC000430737477 372394338 /nfs/dbraw/zinc/39/43/38/372394338.db2.gz BQKYSAYHMUTLMG-OAHLLOKOSA-N 0 3 294.402 3.276 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000293362317 372365772 /nfs/dbraw/zinc/36/57/72/372365772.db2.gz BWXLNCMPDROXQT-ZBFHGGJFSA-N 0 3 288.435 3.396 20 30 CGEDHN C=CCC(C)(C)CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000293789887 372482491 /nfs/dbraw/zinc/48/24/91/372482491.db2.gz UFIYECQOJIOBAZ-CQSZACIVSA-N 0 3 295.448 3.041 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000293746380 372466429 /nfs/dbraw/zinc/46/64/29/372466429.db2.gz PVENLEFLXYRGQK-NSHDSACASA-N 0 3 265.353 3.319 20 30 CGEDHN N#Cc1csc(CNCCc2cccc(F)c2F)c1 ZINC000344384604 217175737 /nfs/dbraw/zinc/17/57/37/217175737.db2.gz OMYJMTDFMDIVGG-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN C#CC[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000293857541 372503271 /nfs/dbraw/zinc/50/32/71/372503271.db2.gz RQKHVUBCEHLTKT-RBUKOAKNSA-N 0 3 297.373 3.083 20 30 CGEDHN N#Cc1csc(CN[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000344448752 217194643 /nfs/dbraw/zinc/19/46/43/217194643.db2.gz MQNLDVODRTUGGB-ZBFHGGJFSA-N 0 3 268.385 3.341 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCC1(C2CC2)CC1 ZINC000433385433 372600322 /nfs/dbraw/zinc/60/03/22/372600322.db2.gz YBIKFEYMIDNVQR-HNNXBMFYSA-N 0 3 282.387 3.065 20 30 CGEDHN CC1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000433353010 372597824 /nfs/dbraw/zinc/59/78/24/372597824.db2.gz KHEKKCNGQOCWEG-MRXNPFEDSA-N 0 3 284.403 3.455 20 30 CGEDHN N#Cc1cc(F)ccc1NC[C@H]1CCCCN1C1CC1 ZINC000433797286 372633014 /nfs/dbraw/zinc/63/30/14/372633014.db2.gz VHEQQLZTEGNDLD-OAHLLOKOSA-N 0 3 273.355 3.126 20 30 CGEDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1cc(C#N)n(C)c1 ZINC000295201733 372699544 /nfs/dbraw/zinc/69/95/44/372699544.db2.gz YUMZXHISAHHRGI-LOWVWBTDSA-N 0 3 299.340 3.448 20 30 CGEDHN C=CCN(CC[C@H]1CCOC1)Cc1cccs1 ZINC000437592118 372853529 /nfs/dbraw/zinc/85/35/29/372853529.db2.gz QPDKHLNAIIIHQV-ZDUSSCGKSA-N 0 3 251.395 3.163 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000344770829 217304454 /nfs/dbraw/zinc/30/44/54/217304454.db2.gz XHCMIXWAOULTMX-INIZCTEOSA-N 0 3 282.391 3.150 20 30 CGEDHN N#Cc1c(Cl)nsc1NC1CCN(C2CCC2)CC1 ZINC000296074799 373014926 /nfs/dbraw/zinc/01/49/26/373014926.db2.gz SBZCMEBGHVYVSC-UHFFFAOYSA-N 0 3 296.827 3.097 20 30 CGEDHN CCC(CC)[C@@H](CCNCc1ccc(C#N)o1)OC ZINC000344823399 217323063 /nfs/dbraw/zinc/32/30/63/217323063.db2.gz HDCHNVIPVUJXQF-OAHLLOKOSA-N 0 3 264.369 3.082 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(OCC(F)F)c2)C1 ZINC000442863581 373109707 /nfs/dbraw/zinc/10/97/07/373109707.db2.gz CYUSXDFSAZABRH-DGCLKSJQSA-N 0 3 280.318 3.112 20 30 CGEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)CN1C ZINC000443514365 373156920 /nfs/dbraw/zinc/15/69/20/373156920.db2.gz FSQWGRLMBKURPL-MNOVXSKESA-N 0 3 297.324 3.106 20 30 CGEDHN C=C1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443618328 373159033 /nfs/dbraw/zinc/15/90/33/373159033.db2.gz MWISLTRDZCTROK-AWEZNQCLSA-N 0 3 299.336 3.261 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000444624446 373213979 /nfs/dbraw/zinc/21/39/79/373213979.db2.gz LYBVKMBMUNLUQZ-VXGBXAGGSA-N 0 3 292.345 3.094 20 30 CGEDHN CC(C#N)C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000444463916 373192301 /nfs/dbraw/zinc/19/23/01/373192301.db2.gz HKGUEOVIBFIKJG-AGIUHOORSA-N 0 3 250.386 3.115 20 30 CGEDHN C=CCCCN1CCC[C@@]1(CCC)C(=O)OCC ZINC000444783464 373275272 /nfs/dbraw/zinc/27/52/72/373275272.db2.gz LEANJVZHOGBIRT-HNNXBMFYSA-N 0 3 253.386 3.150 20 30 CGEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000444675371 373230454 /nfs/dbraw/zinc/23/04/54/373230454.db2.gz LWCWAZIDZLMINP-RDJZCZTQSA-N 0 3 299.418 3.397 20 30 CGEDHN CN(C)[C@H](CNc1ccc(C#N)cc1)c1ccsc1 ZINC000298399679 373315454 /nfs/dbraw/zinc/31/54/54/373315454.db2.gz GFLMKMBSVTYKDS-OAHLLOKOSA-N 0 3 271.389 3.335 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@@H]2C2CCC2)cc1 ZINC000446841287 373369487 /nfs/dbraw/zinc/36/94/87/373369487.db2.gz NUVRCGWZZSDXFM-QGZVFWFLSA-N 0 3 257.352 3.442 20 30 CGEDHN C=CCCCC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000175536612 373481977 /nfs/dbraw/zinc/48/19/77/373481977.db2.gz ZUENMVFBWRKNMZ-UHFFFAOYSA-N 0 3 288.435 3.453 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000447843921 373506363 /nfs/dbraw/zinc/50/63/63/373506363.db2.gz OLKFUYVQHMTOMA-WMLDXEAASA-N 0 3 291.822 3.317 20 30 CGEDHN C=CCC1(C(=O)NC2CCN(C3CC3)CC2)CCCCC1 ZINC000448622697 373626856 /nfs/dbraw/zinc/62/68/56/373626856.db2.gz AZEPDYOYIYGKSP-UHFFFAOYSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CCCN1CCN(CCC=C)C2(CCCCC2)C1 ZINC000177821226 373711225 /nfs/dbraw/zinc/71/12/25/373711225.db2.gz BGYXHQNBINMRHK-UHFFFAOYSA-N 0 3 262.441 3.459 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cc(C3CC3)ccc2F)C1 ZINC000449373212 373685139 /nfs/dbraw/zinc/68/51/39/373685139.db2.gz PNSHIELTAMQZIJ-NHYWBVRUSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](SC)C1 ZINC000449446222 373724417 /nfs/dbraw/zinc/72/44/17/373724417.db2.gz PAMZBESNZZFNJO-CQSZACIVSA-N 0 3 263.406 3.189 20 30 CGEDHN C[C@@H]1CCc2nc(CN[C@H]3CC[C@@H](CC#N)C3)sc2C1 ZINC000449445963 373725114 /nfs/dbraw/zinc/72/51/14/373725114.db2.gz MXLBHQZMGFETSZ-AGIUHOORSA-N 0 3 289.448 3.440 20 30 CGEDHN C=C(C)CCNCc1nc2c(s1)C[C@H](C)CC2 ZINC000449473324 373759320 /nfs/dbraw/zinc/75/93/20/373759320.db2.gz HROJHKUOFPHCDS-LLVKDONJSA-N 0 3 250.411 3.324 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](OC)[C@H](C)C1 ZINC000449510991 373809932 /nfs/dbraw/zinc/80/99/32/373809932.db2.gz YANSBIBDCCCXFO-ZBFHGGJFSA-N 0 3 275.392 3.108 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1csc2ccccc12 ZINC000449516786 373815708 /nfs/dbraw/zinc/81/57/08/373815708.db2.gz CFILCYJBQPXJRW-KGLIPLIRSA-N 0 3 259.374 3.334 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccccc2)o1 ZINC000449523307 373821769 /nfs/dbraw/zinc/82/17/69/373821769.db2.gz XLZYMWQSYDYYOS-CVEARBPZSA-N 0 3 269.344 3.380 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](OC)[C@H](C)C2)c1 ZINC000449497013 373792217 /nfs/dbraw/zinc/79/22/17/373792217.db2.gz JTRHHSZHCQAONK-PBHICJAKSA-N 0 3 275.392 3.108 20 30 CGEDHN CCO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000449497979 373793759 /nfs/dbraw/zinc/79/37/59/373793759.db2.gz KXHAKMHOVHYRKQ-YOEHRIQHSA-N 0 3 272.392 3.114 20 30 CGEDHN C=CCC[C@H](CO)NCc1cc2ccccc2cc1OC ZINC000449695536 373844140 /nfs/dbraw/zinc/84/41/40/373844140.db2.gz FKMWXPQHAXATTD-QGZVFWFLSA-N 0 3 285.387 3.265 20 30 CGEDHN C=CCOc1ccccc1CN1CC(C)(C)[C@H]2COC[C@H]21 ZINC000449781294 373910664 /nfs/dbraw/zinc/91/06/64/373910664.db2.gz HWKOUIPDRMBGJR-JKSUJKDBSA-N 0 3 287.403 3.108 20 30 CGEDHN C=CCOc1cccc(CN2CC(C)(C)[C@H]3COC[C@H]32)c1 ZINC000449784814 373915696 /nfs/dbraw/zinc/91/56/96/373915696.db2.gz YMBTZQHFVVEWBT-DLBZAZTESA-N 0 3 287.403 3.108 20 30 CGEDHN C=CCCCN(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179817076 373922890 /nfs/dbraw/zinc/92/28/90/373922890.db2.gz RUFCQEPZVCDUME-UHFFFAOYSA-N 0 3 255.365 3.475 20 30 CGEDHN C=CCCCN(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179817076 373922899 /nfs/dbraw/zinc/92/28/99/373922899.db2.gz RUFCQEPZVCDUME-UHFFFAOYSA-N 0 3 255.365 3.475 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000303504124 374021409 /nfs/dbraw/zinc/02/14/09/374021409.db2.gz AHNKXFKFUNNWRT-SFHVURJKSA-N 0 3 288.435 3.009 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCCCC1 ZINC000450102228 373988367 /nfs/dbraw/zinc/98/83/67/373988367.db2.gz DTUNOYYDAHYMOP-GOEBONIOSA-N 0 3 290.451 3.112 20 30 CGEDHN CCC[C@@H](CCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305831351 374117515 /nfs/dbraw/zinc/11/75/15/374117515.db2.gz UKBBMQNHEJIEOH-STQMWFEESA-N 0 3 278.371 3.147 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC1(C#N)CCC1 ZINC000450430058 374123539 /nfs/dbraw/zinc/12/35/39/374123539.db2.gz OVCYRRPVGYEKIA-QGZVFWFLSA-N 0 3 297.446 3.277 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000181214392 374094640 /nfs/dbraw/zinc/09/46/40/374094640.db2.gz PRDPLQIXPJRMQX-TZMCWYRMSA-N 0 3 297.320 3.072 20 30 CGEDHN C=C(C)CN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181302944 374105587 /nfs/dbraw/zinc/10/55/87/374105587.db2.gz XCFJLEFJRADVFP-HNNXBMFYSA-N 0 3 282.391 3.227 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000181942607 374194394 /nfs/dbraw/zinc/19/43/94/374194394.db2.gz OGMRMXMYPGDBTN-KRWDZBQOSA-N 0 3 286.419 3.200 20 30 CGEDHN C[C@@H](NCCCSCC#N)c1cccc(F)c1F ZINC000182000385 374202808 /nfs/dbraw/zinc/20/28/08/374202808.db2.gz RMXPGUOKSSONQL-SNVBAGLBSA-N 0 3 270.348 3.262 20 30 CGEDHN CC[C@H](C)[C@@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183045422 374361620 /nfs/dbraw/zinc/36/16/20/374361620.db2.gz UAAJWWFNZZQKBK-WDEREUQCSA-N 0 3 293.798 3.174 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](CC)c1ccccc1F ZINC000320353632 374350568 /nfs/dbraw/zinc/35/05/68/374350568.db2.gz FZEZLFPNAMXNCL-WFASDCNBSA-N 0 3 251.345 3.194 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000320366764 374351093 /nfs/dbraw/zinc/35/10/93/374351093.db2.gz IEVMXKAFKYYKCK-CMPLNLGQSA-N 0 3 271.763 3.457 20 30 CGEDHN Cc1nccn1-c1ccc([C@@H](C)NCCCC#N)cc1 ZINC000183147589 374377633 /nfs/dbraw/zinc/37/76/33/374377633.db2.gz FUWMIIOWMPMMDO-CYBMUJFWSA-N 0 3 268.364 3.135 20 30 CGEDHN C[C@H](NCc1ccc(F)c(C#N)c1)[C@@H]1COc2ccccc21 ZINC000185630313 374703100 /nfs/dbraw/zinc/70/31/00/374703100.db2.gz IWDQFYUSCFLRHC-LRDDRELGSA-N 0 3 296.345 3.352 20 30 CGEDHN N#CC1(c2ccccn2)CCN(CC2CCCC2)CC1 ZINC000334367847 374688224 /nfs/dbraw/zinc/68/82/24/374688224.db2.gz LHAIHGQJKSEHBO-UHFFFAOYSA-N 0 3 269.392 3.129 20 30 CGEDHN CCOc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185816379 374744695 /nfs/dbraw/zinc/74/46/95/374744695.db2.gz XCPIZGZBMKFIHM-HIFRSBDPSA-N 0 3 258.365 3.257 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CCCC1 ZINC000334565654 374864949 /nfs/dbraw/zinc/86/49/49/374864949.db2.gz QBTCRSRZQUNYMG-CVEARBPZSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000186691124 374900798 /nfs/dbraw/zinc/90/07/98/374900798.db2.gz DASDSULENDBOJP-ZYHUDNBSSA-N 0 3 282.453 3.337 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OCC ZINC000186703077 374902496 /nfs/dbraw/zinc/90/24/96/374902496.db2.gz JGDADHSDQUPXSG-DGCLKSJQSA-N 0 3 283.799 3.326 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccccc1Br ZINC000186704290 374902517 /nfs/dbraw/zinc/90/25/17/374902517.db2.gz ZQYWMHWLUOVWRH-WDEREUQCSA-N 0 3 284.197 3.037 20 30 CGEDHN C=CCC[C@H](O)CN1CCC(c2ccsc2)CC1 ZINC000186912945 374937848 /nfs/dbraw/zinc/93/78/48/374937848.db2.gz PPHJGZXXUJTQNG-HNNXBMFYSA-N 0 3 265.422 3.255 20 30 CGEDHN C=CC[C@H](CO)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000186712650 374904361 /nfs/dbraw/zinc/90/43/61/374904361.db2.gz SOJQPLCNVZALBI-DGCLKSJQSA-N 0 3 283.824 3.404 20 30 CGEDHN C=CCOCCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000470766631 374999292 /nfs/dbraw/zinc/99/92/92/374999292.db2.gz PUSKAYGMKOSAQY-UHFFFAOYSA-N 0 3 288.435 3.018 20 30 CGEDHN C=CCCCN(C)C1(C(=O)OCC)CCCCC1 ZINC000478037301 375147246 /nfs/dbraw/zinc/14/72/46/375147246.db2.gz ZGRPCNODUCBQEM-UHFFFAOYSA-N 0 3 253.386 3.150 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC#Cc1ccccc1 ZINC000483683581 375183798 /nfs/dbraw/zinc/18/37/98/375183798.db2.gz MHNPOFDFNLALMT-MSOLQXFVSA-N 0 3 271.404 3.221 20 30 CGEDHN CC[C@H](CN(CC)C(=O)C(C)C#N)c1ccccc1 ZINC000482256493 375169405 /nfs/dbraw/zinc/16/94/05/375169405.db2.gz XXIIZAFOEKKJHP-ZIAGYGMSSA-N 0 3 258.365 3.188 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000335149432 375176399 /nfs/dbraw/zinc/17/63/99/375176399.db2.gz PRQYFLCNXMOEAJ-MRVPVSSYSA-N 0 3 271.147 3.111 20 30 CGEDHN COCCN(CC#Cc1ccc(F)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000484871226 375189656 /nfs/dbraw/zinc/18/96/56/375189656.db2.gz MINVMXQZZAOYQP-CRAIPNDOSA-N 0 3 289.394 3.314 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@@H]2CC[C@H](C1)N2C)c1ccccc1 ZINC000188363179 375203151 /nfs/dbraw/zinc/20/31/51/375203151.db2.gz KROZBQBFJQLCCD-KSZLIROESA-N 0 3 298.430 3.041 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cc(Br)cs2)C1 ZINC000335630624 375336408 /nfs/dbraw/zinc/33/64/08/375336408.db2.gz GVKOLSIZWKKZMT-SCZZXKLOSA-N 0 3 285.210 3.292 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Br)cs2)C1 ZINC000335630623 375336478 /nfs/dbraw/zinc/33/64/78/375336478.db2.gz GVKOLSIZWKKZMT-PSASIEDQSA-N 0 3 285.210 3.292 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(C)cc1 ZINC000189584225 375418680 /nfs/dbraw/zinc/41/86/80/375418680.db2.gz LWLCQRDFQJCTOC-QGZVFWFLSA-N 0 3 267.376 3.446 20 30 CGEDHN Cn1cc(CN[C@@H]2CCCc3sccc32)cc1C#N ZINC000189592338 375419831 /nfs/dbraw/zinc/41/98/31/375419831.db2.gz UQAWQANHWXORRQ-CQSZACIVSA-N 0 3 271.389 3.125 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)NCCN1CCCC[C@@H]1CC ZINC000495231312 375499128 /nfs/dbraw/zinc/49/91/28/375499128.db2.gz OLGYKGLAOBRZQG-HOTGVXAUSA-N 0 3 293.455 3.001 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000335998045 375604805 /nfs/dbraw/zinc/60/48/05/375604805.db2.gz HPRWAEDIZWWNKP-QMMMGPOBSA-N 0 3 271.147 3.111 20 30 CGEDHN Cc1oc2ccccc2c1CNCc1cc(C#N)n(C)c1 ZINC000191611684 375643970 /nfs/dbraw/zinc/64/39/70/375643970.db2.gz NFIRXJAFVXGLPK-UHFFFAOYSA-N 0 3 279.343 3.241 20 30 CGEDHN C=CCOc1ccccc1CN(CCOC)CC(C)C ZINC000508531774 375749074 /nfs/dbraw/zinc/74/90/74/375749074.db2.gz AAOGCHNVZKNNEK-UHFFFAOYSA-N 0 3 277.408 3.356 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193022968 375815884 /nfs/dbraw/zinc/81/58/84/375815884.db2.gz HZOIBWURCBXXCV-MRXNPFEDSA-N 0 3 290.363 3.155 20 30 CGEDHN Cc1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)ccc1C#N ZINC000336546573 375823445 /nfs/dbraw/zinc/82/34/45/375823445.db2.gz YRFHJBQSPKPOAV-SWLSCSKDSA-N 0 3 271.364 3.002 20 30 CGEDHN CC(C)N(CC(=O)Nc1cccc(C#N)c1)CC1CCC1 ZINC000193214163 375842322 /nfs/dbraw/zinc/84/23/22/375842322.db2.gz HDZLEHGLEKIOCB-UHFFFAOYSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCCCCCN[C@H](C[S@](C)=O)c1ccccc1 ZINC000193518227 375891342 /nfs/dbraw/zinc/89/13/42/375891342.db2.gz GWWMUOVQKJUNPN-APWZRJJASA-N 0 3 279.449 3.442 20 30 CGEDHN C=CCC[C@H](O)CN1CCc2cccc(F)c2[C@H]1C ZINC000532378403 375951197 /nfs/dbraw/zinc/95/11/97/375951197.db2.gz VGKKSKSIWHUZCJ-OCCSQVGLSA-N 0 3 263.356 3.072 20 30 CGEDHN C=CCN1CC[C@H](N(CC)[C@H](CC)c2ccccc2)C1=O ZINC000337137573 376094094 /nfs/dbraw/zinc/09/40/94/376094094.db2.gz OFZASQHMXCHUSY-SJORKVTESA-N 0 3 286.419 3.247 20 30 CGEDHN C=CCN1CC[C@H](N(C2CC2)C2CCC(CC)CC2)C1=O ZINC000337146842 376101046 /nfs/dbraw/zinc/10/10/46/376101046.db2.gz YRIXYGCAPUFSOI-DQPZFDDXSA-N 0 3 290.451 3.207 20 30 CGEDHN C=CCCCN(C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000537636091 376187198 /nfs/dbraw/zinc/18/71/98/376187198.db2.gz KRQROMXJZJINGQ-CYBMUJFWSA-N 0 3 275.392 3.417 20 30 CGEDHN CN(CCc1cccs1)Cc1cccc(C#N)c1F ZINC000223548344 376257078 /nfs/dbraw/zinc/25/70/78/376257078.db2.gz UZLXTBXECSKNKN-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000539433953 376311195 /nfs/dbraw/zinc/31/11/95/376311195.db2.gz VQUBZGPFWDLUBD-JYJNAYRXSA-N 0 3 295.471 3.293 20 30 CGEDHN C=C(CC)CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000539104573 376294523 /nfs/dbraw/zinc/29/45/23/376294523.db2.gz MJXFSXWDGOZHQI-CQSZACIVSA-N 0 3 267.413 3.396 20 30 CGEDHN C=CCCC[C@H](C)N(C)CC(=O)NCc1cccs1 ZINC000539250180 376302382 /nfs/dbraw/zinc/30/23/82/376302382.db2.gz FPDYKPZDYUBLND-ZDUSSCGKSA-N 0 3 280.437 3.041 20 30 CGEDHN C=CCSCCN[C@@H]1CCCc2ccc(O)cc21 ZINC000231930846 376574742 /nfs/dbraw/zinc/57/47/42/376574742.db2.gz HTADDGHFSMTSTO-OAHLLOKOSA-N 0 3 263.406 3.278 20 30 CGEDHN C=C1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000264544685 190117106 /nfs/dbraw/zinc/11/71/06/190117106.db2.gz IYEWYSQTGQWVKW-UHFFFAOYSA-N 0 3 284.403 3.075 20 30 CGEDHN C=CCOCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000339175052 376726160 /nfs/dbraw/zinc/72/61/60/376726160.db2.gz XRHBNCHISVCOBD-LBPRGKRZSA-N 0 3 277.330 3.244 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C=C2CCCCC2)CC1 ZINC000264482898 190112954 /nfs/dbraw/zinc/11/29/54/190112954.db2.gz LTVIDZUVORQPRO-UHFFFAOYSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000264480223 190113202 /nfs/dbraw/zinc/11/32/02/190113202.db2.gz PYWUGJCCWLVNBF-UHFFFAOYSA-N 0 3 297.402 3.151 20 30 CGEDHN C=C(C)CN1CCC(Nc2cnc3ccccc3n2)CC1 ZINC000264517803 190115417 /nfs/dbraw/zinc/11/54/17/190115417.db2.gz VRUZCQVZAWLBPF-UHFFFAOYSA-N 0 3 282.391 3.082 20 30 CGEDHN CC(C)n1cc([C@@H](C)NCCOc2cccc(C#N)c2)cn1 ZINC000544468454 376740623 /nfs/dbraw/zinc/74/06/23/376740623.db2.gz KZVGGBWFCWRYAK-CQSZACIVSA-N 0 3 298.390 3.065 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@H](OCC)C2)c1 ZINC000155468116 542123781 /nfs/dbraw/zinc/12/37/81/542123781.db2.gz DFXWAXUAXJPVDT-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](CC3CC3)C2)cc1F ZINC000339682600 376809638 /nfs/dbraw/zinc/80/96/38/376809638.db2.gz KOTDETGUXLTZNN-AWEZNQCLSA-N 0 3 258.340 3.319 20 30 CGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCSC1 ZINC000340728358 377239440 /nfs/dbraw/zinc/23/94/40/377239440.db2.gz XLYBNJBQFANMKP-LBPRGKRZSA-N 0 3 298.358 3.097 20 30 CGEDHN COc1ccc2c(c1)CCN(Cc1cccc(C#N)c1)CC2 ZINC000340734306 377241610 /nfs/dbraw/zinc/24/16/10/377241610.db2.gz AMNPANZHARJRHT-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN C=CCC[C@H](O)CN1CCSC[C@H]1c1ccc(C)cc1 ZINC000247431637 377203470 /nfs/dbraw/zinc/20/34/70/377203470.db2.gz NTVSLUUPASHYRD-IRXDYDNUSA-N 0 3 291.460 3.412 20 30 CGEDHN C(#Cc1ccccc1)CNC1(c2ccccc2)CCOCC1 ZINC000567008656 377502027 /nfs/dbraw/zinc/50/20/27/377502027.db2.gz JIFSNEBTLNUESM-UHFFFAOYSA-N 0 3 291.394 3.334 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249433173 377503401 /nfs/dbraw/zinc/50/34/01/377503401.db2.gz HTARFPVRFNWYLY-CZUORRHYSA-N 0 3 280.375 3.222 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000249273282 377484676 /nfs/dbraw/zinc/48/46/76/377484676.db2.gz KROZBQBFJQLCCD-SQNIBIBYSA-N 0 3 298.430 3.041 20 30 CGEDHN N#CCc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000570926701 377539691 /nfs/dbraw/zinc/53/96/91/377539691.db2.gz GIYWNGFFSCBSMX-LJQANCHMSA-N 0 3 287.366 3.401 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1F ZINC000421358260 249126281 /nfs/dbraw/zinc/12/62/81/249126281.db2.gz SPZFUTGMLBGFLB-CGTJXYLNSA-N 0 3 278.330 3.125 20 30 CGEDHN N#CCC1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000572113870 377546226 /nfs/dbraw/zinc/54/62/26/377546226.db2.gz SRBJVMRNMHRRCW-UHFFFAOYSA-N 0 3 296.773 3.484 20 30 CGEDHN C=C(Cl)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000265479334 190185309 /nfs/dbraw/zinc/18/53/09/190185309.db2.gz CFUPSCBLMIFTLT-UHFFFAOYSA-N 0 3 292.810 3.155 20 30 CGEDHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000251658327 377592414 /nfs/dbraw/zinc/59/24/14/377592414.db2.gz BORTWEBTDIHPII-ZIAGYGMSSA-N 0 3 287.407 3.253 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341654626 377609763 /nfs/dbraw/zinc/60/97/63/377609763.db2.gz FUPVXHDJDXREMG-CYBMUJFWSA-N 0 3 261.365 3.156 20 30 CGEDHN N#CCCCNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000341691072 377612910 /nfs/dbraw/zinc/61/29/10/377612910.db2.gz AZDKYYSFSSNTHM-UHFFFAOYSA-N 0 3 278.783 3.239 20 30 CGEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000252442706 377622277 /nfs/dbraw/zinc/62/22/77/377622277.db2.gz BAORNBQOBFONAW-CMPLNLGQSA-N 0 3 291.395 3.073 20 30 CGEDHN C[C@@H](N[C@H]1CCC1(C)C)C(=O)N(CCC#N)c1ccccc1 ZINC000574183553 377630098 /nfs/dbraw/zinc/63/00/98/377630098.db2.gz MZDSPZSMJWUJPY-ZBFHGGJFSA-N 0 3 299.418 3.100 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)CC[C@H]1CCCO1 ZINC000342609278 377690429 /nfs/dbraw/zinc/69/04/29/377690429.db2.gz UWTLZALKJXNCMV-MRXNPFEDSA-N 0 3 277.795 3.192 20 30 CGEDHN C[C@@]1(Cc2ccccc2)CCCN1CC1(C#N)CC1 ZINC000342678835 377728670 /nfs/dbraw/zinc/72/86/70/377728670.db2.gz LIRFKNQKIVZSLY-INIZCTEOSA-N 0 3 254.377 3.387 20 30 CGEDHN C=CCCN(C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000342719371 377753126 /nfs/dbraw/zinc/75/31/26/377753126.db2.gz IRVSNIUCBPAEMA-ZIAGYGMSSA-N 0 3 292.448 3.308 20 30 CGEDHN C=CCCCC(=O)N(CCC)CCN1CCCCC1 ZINC000342781633 377789221 /nfs/dbraw/zinc/78/92/21/377789221.db2.gz HVIUHYJNVKRCJG-UHFFFAOYSA-N 0 3 266.429 3.067 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1C(F)F ZINC000343378696 377963334 /nfs/dbraw/zinc/96/33/34/377963334.db2.gz FTBFJFUSGFCUCV-UONOGXRCSA-N 0 3 292.329 3.015 20 30 CGEDHN C=CCN1CC[C@@H](N(C)CCC2CCCCCC2)C1=O ZINC000578263363 378053472 /nfs/dbraw/zinc/05/34/72/378053472.db2.gz AUGIBKNRTQNMLU-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(CN[C@@H](CC)c1cnn(C)c1)c1ccccc1 ZINC000268794792 378113924 /nfs/dbraw/zinc/11/39/24/378113924.db2.gz DCJFJUFUUREDQP-INIZCTEOSA-N 0 3 255.365 3.174 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000268676450 378090079 /nfs/dbraw/zinc/09/00/79/378090079.db2.gz VYRDKNTWMXTWAM-CVEARBPZSA-N 0 3 263.356 3.290 20 30 CGEDHN C=C(C)CN1CCC(N[C@@H](C)c2csc(C)n2)CC1 ZINC000269446575 378223221 /nfs/dbraw/zinc/22/32/21/378223221.db2.gz UVNFWILZCDCBDJ-LBPRGKRZSA-N 0 3 279.453 3.143 20 30 CGEDHN C=CCCCCCNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000579850516 378202478 /nfs/dbraw/zinc/20/24/78/378202478.db2.gz ZUTOEEHXPJTFOY-UHFFFAOYSA-N 0 3 293.455 3.073 20 30 CGEDHN C[C@H](CCc1cccn1C)NCc1ccc(C#N)cc1F ZINC000269418444 378219409 /nfs/dbraw/zinc/21/94/09/378219409.db2.gz LDPTXZGEWCKIER-CYBMUJFWSA-N 0 3 285.366 3.147 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](CC2CC2)C1 ZINC000580353196 378245187 /nfs/dbraw/zinc/24/51/87/378245187.db2.gz ZSBWVFIGZFCVKN-ZWKOTPCHSA-N 0 3 296.414 3.408 20 30 CGEDHN C=CCC(C)(C)CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000582345558 378306527 /nfs/dbraw/zinc/30/65/27/378306527.db2.gz CLOMTYSKIKRZQX-UHFFFAOYSA-N 0 3 295.471 3.105 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccccc1OC(F)F ZINC000345824626 378378401 /nfs/dbraw/zinc/37/84/01/378378401.db2.gz ZSWNEOKVDJDLAW-GXSJLCMTSA-N 0 3 282.290 3.015 20 30 CGEDHN CSC[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271933623 378522756 /nfs/dbraw/zinc/52/27/56/378522756.db2.gz JHCFXWLMWVJFDA-ZJUUUORDSA-N 0 3 252.358 3.099 20 30 CGEDHN Cc1noc(C)c1CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271939041 378524530 /nfs/dbraw/zinc/52/45/30/378524530.db2.gz LCYVZMOQJAXBRG-SNVBAGLBSA-N 0 3 287.338 3.196 20 30 CGEDHN N#Cc1cccc(Cl)c1NC1CCN(C2CC2)CC1 ZINC000266133648 190233351 /nfs/dbraw/zinc/23/33/51/190233351.db2.gz DNZJQJLASPRNSQ-UHFFFAOYSA-N 0 3 275.783 3.250 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cnccc1C ZINC000272339500 378616078 /nfs/dbraw/zinc/61/60/78/378616078.db2.gz YHOZYJZZWRRKAX-UHFFFAOYSA-N 0 3 256.349 3.214 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000272571064 378667311 /nfs/dbraw/zinc/66/73/11/378667311.db2.gz PAWZIVFVJFOKKG-CQSZACIVSA-N 0 3 263.381 3.327 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](COc3ccccc3)C2)cc1 ZINC000272621906 378677547 /nfs/dbraw/zinc/67/75/47/378677547.db2.gz UWEFCKXVBKBOTC-SFHVURJKSA-N 0 3 292.382 3.459 20 30 CGEDHN CC(C)(C#N)CCN1CCC(n2cc(Cl)cn2)CC1 ZINC000346988999 378703816 /nfs/dbraw/zinc/70/38/16/378703816.db2.gz LOEDBVOWYMWYKA-UHFFFAOYSA-N 0 3 280.803 3.113 20 30 CGEDHN CC#CCCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000274046961 378769544 /nfs/dbraw/zinc/76/95/44/378769544.db2.gz FJOPRNBNSHORID-UHFFFAOYSA-N 0 3 294.402 3.065 20 30 CGEDHN CC#CCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000274046956 378770125 /nfs/dbraw/zinc/77/01/25/378770125.db2.gz FJGLISPTBUGGGR-UHFFFAOYSA-N 0 3 291.341 3.273 20 30 CGEDHN COc1ccc(C[C@@H](C)NCC(C)(C)C#N)c(C)c1OC ZINC000348219832 378845947 /nfs/dbraw/zinc/84/59/47/378845947.db2.gz MPMZLUWOTJVJAQ-GFCCVEGCSA-N 0 3 290.407 3.083 20 30 CGEDHN C=CCCCCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000274566567 378852747 /nfs/dbraw/zinc/85/27/47/378852747.db2.gz ZZZQUHSUBRUYKH-MRXNPFEDSA-N 0 3 290.382 3.091 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)NC(C)(C)c1cccs1 ZINC000348358943 378926399 /nfs/dbraw/zinc/92/63/99/378926399.db2.gz MHYWWUZJXJTQQI-CYBMUJFWSA-N 0 3 292.448 3.162 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccncc2)C1 ZINC000347088706 218117942 /nfs/dbraw/zinc/11/79/42/218117942.db2.gz ODYWADLISQAGBM-KSSFIOAISA-N 0 3 293.370 3.168 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC(C)(C)CC1 ZINC000347210241 218156891 /nfs/dbraw/zinc/15/68/91/218156891.db2.gz FJIJUNXULPGPRU-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CC[C@H](N[C@H](C)c1cn(C)nc1C)c1ccc(C#N)cc1 ZINC000278752905 194138752 /nfs/dbraw/zinc/13/87/52/194138752.db2.gz NXWRUKADOUGRQP-PXAZEXFGSA-N 0 3 282.391 3.402 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000347451263 218240123 /nfs/dbraw/zinc/24/01/23/218240123.db2.gz QCXCJGUNSDFYNU-KBPBESRZSA-N 0 3 299.418 3.436 20 30 CGEDHN C=CC(C)(C)CNCc1nc2ccccc2nc1C ZINC000639229502 379170040 /nfs/dbraw/zinc/17/00/40/379170040.db2.gz XHUNUPQKBUMSPL-UHFFFAOYSA-N 0 3 255.365 3.240 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnc(CCOC)s2)C1 ZINC000639309076 379257980 /nfs/dbraw/zinc/25/79/80/379257980.db2.gz KHQAWHHAUWTGDO-CYBMUJFWSA-N 0 3 280.437 3.120 20 30 CGEDHN CC[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(C#N)cc1 ZINC000278216001 379319509 /nfs/dbraw/zinc/31/95/09/379319509.db2.gz IKDCXQVZLPFWAT-GOSISDBHSA-N 0 3 298.361 3.431 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H]1CCO[C@H]1C ZINC000639435031 379382440 /nfs/dbraw/zinc/38/24/40/379382440.db2.gz MHGPIFAKLHRKPP-QWHCGFSZSA-N 0 3 251.395 3.161 20 30 CGEDHN CCCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000349814897 379397365 /nfs/dbraw/zinc/39/73/65/379397365.db2.gz WSRCXFZESKRTEC-GJZGRUSLSA-N 0 3 258.365 3.257 20 30 CGEDHN C[C@@]1(c2ccccc2)CCN(Cc2ccc(C#N)o2)C1 ZINC000374268674 379403561 /nfs/dbraw/zinc/40/35/61/379403561.db2.gz FVLSXZDEVNAFFW-QGZVFWFLSA-N 0 3 266.344 3.315 20 30 CGEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1OC(F)F ZINC000349830006 379409378 /nfs/dbraw/zinc/40/93/78/379409378.db2.gz QCHFRIFMGAYMSK-JQWIXIFHSA-N 0 3 296.317 3.078 20 30 CGEDHN C=CCCCNCc1cccc(OC)c1OC(F)F ZINC000279149108 379413425 /nfs/dbraw/zinc/41/34/25/379413425.db2.gz OUBFQWZYWDVNCX-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1cccc(C#N)c1 ZINC000279652897 379482118 /nfs/dbraw/zinc/48/21/18/379482118.db2.gz CCNZQWGNEHWYKM-RDTXWAMCSA-N 0 3 280.371 3.424 20 30 CGEDHN C=C(CC)CN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793072 379585375 /nfs/dbraw/zinc/58/53/75/379585375.db2.gz SCEIJBUQSVOZNE-OAHLLOKOSA-N 0 3 267.376 3.385 20 30 CGEDHN N#Cc1cccc(NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000267264284 190316042 /nfs/dbraw/zinc/31/60/42/190316042.db2.gz XUIUYQKOBBTWOB-AWEZNQCLSA-N 0 3 298.415 3.264 20 30 CGEDHN C=C(CC)CN1CCC(Oc2ccncc2C)CC1 ZINC000352349240 379774301 /nfs/dbraw/zinc/77/43/01/379774301.db2.gz JZIGABRVWFTNDK-UHFFFAOYSA-N 0 3 260.381 3.199 20 30 CGEDHN CC(C)(C)CCN1CCN(Cc2ccc(C#N)s2)CC1 ZINC000352377451 379786408 /nfs/dbraw/zinc/78/64/08/379786408.db2.gz YCWSBSGTFGPWCJ-UHFFFAOYSA-N 0 3 291.464 3.174 20 30 CGEDHN Cc1cc(C)c(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000397014210 379924165 /nfs/dbraw/zinc/92/41/65/379924165.db2.gz OVTMBFLIIBEZDB-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN CO[C@@H]([C@H](C)N[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000388325738 379885400 /nfs/dbraw/zinc/88/54/00/379885400.db2.gz ZIEHRSLTSVGGQI-MKBNYLNASA-N 0 3 258.365 3.022 20 30 CGEDHN C[C@H]1CCC[C@@H](CCNCc2nc(C#N)cs2)C1 ZINC000352812597 379977554 /nfs/dbraw/zinc/97/75/54/379977554.db2.gz ZVDNFCWCKQCSBS-RYUDHWBXSA-N 0 3 263.410 3.321 20 30 CGEDHN CCc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000352777383 379953812 /nfs/dbraw/zinc/95/38/12/379953812.db2.gz AYTYXGIIYVLEGC-ZDUSSCGKSA-N 0 3 265.360 3.366 20 30 CGEDHN Cc1ccc(C[C@H](C)NCc2nc(C#N)cs2)s1 ZINC000352846167 380000511 /nfs/dbraw/zinc/00/05/11/380000511.db2.gz SAFQXSFBQNVGJH-VIFPVBQESA-N 0 3 277.418 3.106 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(SC)o1 ZINC000641752668 380078251 /nfs/dbraw/zinc/07/82/51/380078251.db2.gz LFVBAPKGPIBGIA-FZMZJTMJSA-N 0 3 267.394 3.072 20 30 CGEDHN CN(CCc1ccccn1)CCC1(C#N)CCCCC1 ZINC000411423396 380147056 /nfs/dbraw/zinc/14/70/56/380147056.db2.gz UTXIKPOVKXUESB-UHFFFAOYSA-N 0 3 271.408 3.420 20 30 CGEDHN CO[C@H](CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000284071311 380121873 /nfs/dbraw/zinc/12/18/73/380121873.db2.gz RMJORRRKKPRRGW-GOSISDBHSA-N 0 3 280.371 3.378 20 30 CGEDHN CCOC(=O)C[C@@H](C)N(C)CCC1(C#N)CCCCC1 ZINC000411503864 380148432 /nfs/dbraw/zinc/14/84/32/380148432.db2.gz LJMSABIPLTZMQP-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCCO2 ZINC000414163647 380195527 /nfs/dbraw/zinc/19/55/27/380195527.db2.gz IXPISCISPACPIO-LBPRGKRZSA-N 0 3 274.364 3.048 20 30 CGEDHN N#CCCC[C@H](NCc1cncnc1)c1ccccc1 ZINC000353918589 380233369 /nfs/dbraw/zinc/23/33/69/380233369.db2.gz YXSWMYBKTSZIRO-INIZCTEOSA-N 0 3 266.348 3.001 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(C(=O)OCC)co1 ZINC000353927235 380239278 /nfs/dbraw/zinc/23/92/78/380239278.db2.gz URNNCBNVVFUANX-UHFFFAOYSA-N 0 3 265.353 3.148 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414580205 380327268 /nfs/dbraw/zinc/32/72/68/380327268.db2.gz JKWOPTNJULXILS-HZPDHXFCSA-N 0 3 269.344 3.490 20 30 CGEDHN C=CCCC1(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000354114295 380332894 /nfs/dbraw/zinc/33/28/94/380332894.db2.gz FURFULJNWGKBLH-UHFFFAOYSA-N 0 3 286.419 3.111 20 30 CGEDHN CC(C)(C)[C@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000414531183 380303929 /nfs/dbraw/zinc/30/39/29/380303929.db2.gz FVPFDEUIPZPDHG-NWDGAFQWSA-N 0 3 263.410 3.319 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(c2ccc(F)cc2C)CC1 ZINC000644703265 380490387 /nfs/dbraw/zinc/49/03/87/380490387.db2.gz WUPGDWAKYPLROO-QGZVFWFLSA-N 0 3 277.383 3.251 20 30 CGEDHN C=C(CNC[C@@H](O)COc1cccc(C)c1)c1ccccc1 ZINC000644647333 380469266 /nfs/dbraw/zinc/46/92/66/380469266.db2.gz QUBVVDAXTCXELH-GOSISDBHSA-N 0 3 297.398 3.038 20 30 CGEDHN C=CC(C)(C)CNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416242282 380525898 /nfs/dbraw/zinc/52/58/98/380525898.db2.gz FTCYXIOTHGSFEI-OAHLLOKOSA-N 0 3 274.408 3.008 20 30 CGEDHN C[C@@H]1[C@H](C)CN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC000416316990 380526667 /nfs/dbraw/zinc/52/66/67/380526667.db2.gz CHPLILQEDSJSOA-AIANPOQGSA-N 0 3 284.403 3.262 20 30 CGEDHN CC[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC000419221425 380781940 /nfs/dbraw/zinc/78/19/40/380781940.db2.gz APJJETVXNGLKRC-QGZVFWFLSA-N 0 3 270.376 3.072 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@@H]2Cc2ccccc2)cc1F ZINC000421360817 380897932 /nfs/dbraw/zinc/89/79/32/380897932.db2.gz FTMDESFLSTZMSW-WMZOPIPTSA-N 0 3 280.346 3.418 20 30 CGEDHN CCc1cnc(CCNCc2ccc(C#N)c(F)c2)s1 ZINC000421369548 380906143 /nfs/dbraw/zinc/90/61/43/380906143.db2.gz WBZSGULBPFHBGS-UHFFFAOYSA-N 0 3 289.379 3.049 20 30 CGEDHN C[C@@H](C1CCC1)N(C)Cc1cn2ccccc2c1C#N ZINC000357038456 381006031 /nfs/dbraw/zinc/00/60/31/381006031.db2.gz NGTVZYRBOHQSNO-ZDUSSCGKSA-N 0 3 267.376 3.431 20 30 CGEDHN CC(C#N)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000357830379 381285372 /nfs/dbraw/zinc/28/53/72/381285372.db2.gz PVYOOLCXHIMVHT-LLVKDONJSA-N 0 3 290.413 3.498 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000359952027 381385480 /nfs/dbraw/zinc/38/54/80/381385480.db2.gz HRSDSVZSKHXJSI-GXFFZTMASA-N 0 3 262.328 3.189 20 30 CGEDHN N#CC(C(=O)c1ccoc1)c1nccc2ccccc21 ZINC000361540293 381793150 /nfs/dbraw/zinc/79/31/50/381793150.db2.gz IVFWTGHBXKOSQS-AWEZNQCLSA-N 0 3 262.268 3.318 20 30 CGEDHN Cc1ccccc1[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000361579413 381815294 /nfs/dbraw/zinc/81/52/94/381815294.db2.gz RXNXOUSOZBWXAE-MRXNPFEDSA-N 0 3 279.387 3.195 20 30 CGEDHN C=CCN(CCOC)[C@H]1CCc2ccc(Cl)cc21 ZINC000361997433 381878455 /nfs/dbraw/zinc/87/84/55/381878455.db2.gz WGLBRGIBIYOYGI-HNNXBMFYSA-N 0 3 265.784 3.462 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H](F)C2)c(F)c1 ZINC000335374699 208308255 /nfs/dbraw/zinc/30/82/55/208308255.db2.gz ZJNZVYIPUVQLKC-QWHCGFSZSA-N 0 3 250.292 3.068 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)c(F)c1 ZINC000335368923 208296364 /nfs/dbraw/zinc/29/63/64/208296364.db2.gz PKYVAMHDWBKEBS-DOTOQJQBSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)cc1F ZINC000335380745 208323001 /nfs/dbraw/zinc/32/30/01/208323001.db2.gz QGHTUERCADQKGY-DOTOQJQBSA-N 0 3 288.366 3.088 20 30 CGEDHN Cn1cc(CNCc2ccc(C3CCC3)cc2)cc1C#N ZINC000277010954 542376257 /nfs/dbraw/zinc/37/62/57/542376257.db2.gz YBIPSXAXOHUPDO-UHFFFAOYSA-N 0 3 279.387 3.454 20 30 CGEDHN CC(C#N)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000331397198 533118294 /nfs/dbraw/zinc/11/82/94/533118294.db2.gz FXSUDZQQKREMEX-WFASDCNBSA-N 0 3 270.376 3.366 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000347107752 533118523 /nfs/dbraw/zinc/11/85/23/533118523.db2.gz JVVXWKPWYSZVTJ-HZMBPMFUSA-N 0 3 276.767 3.457 20 30 CGEDHN C=C(C)CN(CC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179527894 260053690 /nfs/dbraw/zinc/05/36/90/260053690.db2.gz SZZBTFXKUWQENX-UHFFFAOYSA-N 0 3 255.365 3.475 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccncc1 ZINC000281763895 195371022 /nfs/dbraw/zinc/37/10/22/195371022.db2.gz RWSPTUIGLKUMSW-MRXNPFEDSA-N 0 3 281.359 3.203 20 30 CGEDHN C[C@@H](NCCN1CCCCCC1)c1ccc(C#N)cc1F ZINC000358580622 533395515 /nfs/dbraw/zinc/39/55/15/533395515.db2.gz YKECMFLWILABFK-CQSZACIVSA-N 0 3 289.398 3.224 20 30 CGEDHN C[C@@H](N[C@@H]1CCCC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000191304154 130219266 /nfs/dbraw/zinc/21/92/66/130219266.db2.gz HNTQRXOPLDDTIB-IUODEOHRSA-N 0 3 285.391 3.054 20 30 CGEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCOC1 ZINC000106881551 392310950 /nfs/dbraw/zinc/31/09/50/392310950.db2.gz ADVKYKBXQKMCSY-SFHVURJKSA-N 0 3 292.382 3.446 20 30 CGEDHN C#CCCOc1ccc(CN2CC[C@H](OC)C[C@H]2C)cc1 ZINC000282178869 392284250 /nfs/dbraw/zinc/28/42/50/392284250.db2.gz FNDDVLUSZYUAIA-QAPCUYQASA-N 0 3 287.403 3.088 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccnn1-c1ccccc1 ZINC000453340312 542682339 /nfs/dbraw/zinc/68/23/39/542682339.db2.gz CEOSWVNTERKSEK-CQSZACIVSA-N 0 3 255.365 3.489 20 30 CGEDHN C=CCC[C@H](NCC1([S@@](C)=O)CCC1)c1ccco1 ZINC000286378178 392381878 /nfs/dbraw/zinc/38/18/78/392381878.db2.gz AMGLHFWMIQPWDB-ORAYPTAESA-N 0 3 281.421 3.178 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000121705381 392415700 /nfs/dbraw/zinc/41/57/00/392415700.db2.gz LHHGUSUBKGCSOI-SECBINFHSA-N 0 3 291.763 3.351 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000289313673 392421139 /nfs/dbraw/zinc/42/11/39/392421139.db2.gz SIHLUQOTHCDXPT-CQSZACIVSA-N 0 3 293.366 3.290 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000289602752 392426753 /nfs/dbraw/zinc/42/67/53/392426753.db2.gz CQZWTTQACDYMMG-QAPCUYQASA-N 0 3 297.398 3.463 20 30 CGEDHN Cc1ccoc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289944989 392437913 /nfs/dbraw/zinc/43/79/13/392437913.db2.gz XKLKSLKZIZKTAH-UHFFFAOYSA-N 0 3 297.402 3.024 20 30 CGEDHN C#Cc1ccc(CNC[C@@H](c2cccs2)N(C)C)cc1 ZINC000290288697 392444154 /nfs/dbraw/zinc/44/41/54/392444154.db2.gz GTYFOBWTLRGFFU-INIZCTEOSA-N 0 3 284.428 3.122 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ccncn2)C1 ZINC000365415797 392444697 /nfs/dbraw/zinc/44/46/97/392444697.db2.gz YOADBLGKFHSGIB-PBHICJAKSA-N 0 3 292.386 3.289 20 30 CGEDHN CC(C)(C#N)CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367058860 392464745 /nfs/dbraw/zinc/46/47/45/392464745.db2.gz YNOURYNHLDRZQR-UHFFFAOYSA-N 0 3 296.418 3.269 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(Br)cc1 ZINC000121118754 392408089 /nfs/dbraw/zinc/40/80/89/392408089.db2.gz BSIVKBSPTBQOHU-AWEZNQCLSA-N 0 3 298.224 3.208 20 30 CGEDHN C[C@H]1CSCCN1Cc1ccccc1C(C)(C)C#N ZINC000178538551 392680852 /nfs/dbraw/zinc/68/08/52/392680852.db2.gz VMNJOTXCIRMKLS-ZDUSSCGKSA-N 0 3 274.433 3.425 20 30 CGEDHN Cc1cccc(C)c1NC(=O)CNCC(C)(C)CCC#N ZINC000174242648 392638087 /nfs/dbraw/zinc/63/80/87/392638087.db2.gz HPXJOJBKCRCACG-UHFFFAOYSA-N 0 3 287.407 3.162 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)C[C@H]1CCCC[C@@H]1O ZINC000181467857 392732024 /nfs/dbraw/zinc/73/20/24/392732024.db2.gz VVVGENHSJNNJLE-WBVHZDCISA-N 0 3 291.822 3.174 20 30 CGEDHN Fc1ccc(C#CCN[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000191935989 392836878 /nfs/dbraw/zinc/83/68/78/392836878.db2.gz ALEFZRCFSSURBV-MOPGFXCFSA-N 0 3 295.357 3.297 20 30 CGEDHN CCOC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189042493 392804852 /nfs/dbraw/zinc/80/48/52/392804852.db2.gz HBMLXRQOAXLEAS-ZDUSSCGKSA-N 0 3 258.365 3.120 20 30 CGEDHN CC(C#N)C(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000335730055 392812416 /nfs/dbraw/zinc/81/24/16/392812416.db2.gz YGPDOJJIYPEPSI-PUSIOWJLSA-N 0 3 280.730 3.001 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000338722253 392925541 /nfs/dbraw/zinc/92/55/41/392925541.db2.gz RILQNKXRRUIATP-NOZJJQNGSA-N 0 3 296.292 3.432 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000338886234 392933829 /nfs/dbraw/zinc/93/38/29/392933829.db2.gz CVZLBFNAURPNQO-OAHLLOKOSA-N 0 3 291.391 3.043 20 30 CGEDHN C=CCOCCN(Cc1ccc(F)cc1)C(C)C ZINC000338936085 392936522 /nfs/dbraw/zinc/93/65/22/392936522.db2.gz NYANTUNNPPZMJG-UHFFFAOYSA-N 0 3 251.345 3.239 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000339072096 392945571 /nfs/dbraw/zinc/94/55/71/392945571.db2.gz PAIJZOJEUMXHFP-CQSZACIVSA-N 0 3 285.391 3.034 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000339090988 392947468 /nfs/dbraw/zinc/94/74/68/392947468.db2.gz KVLORSVQGFZGIR-UWWQBHOKSA-N 0 3 282.387 3.200 20 30 CGEDHN CC(C)(C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527207209 392956010 /nfs/dbraw/zinc/95/60/10/392956010.db2.gz WWEKKHCGAUQFID-MRXNPFEDSA-N 0 3 297.402 3.183 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000411657307 392984838 /nfs/dbraw/zinc/98/48/38/392984838.db2.gz GJNSZZMOOODQEC-HOCLYGCPSA-N 0 3 290.382 3.499 20 30 CGEDHN N#CC1(CCN2CC[C@@H](COC(F)F)C2)CCCCC1 ZINC000411726073 392986972 /nfs/dbraw/zinc/98/69/72/392986972.db2.gz JDIYCKJHKZYDOX-CYBMUJFWSA-N 0 3 286.366 3.412 20 30 CGEDHN N#Cc1ccc(N2CCN(C3CCCCC3)CC2)cc1 ZINC000219796173 393002646 /nfs/dbraw/zinc/00/26/46/393002646.db2.gz VJYYNMASKFHWBX-UHFFFAOYSA-N 0 3 269.392 3.013 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000342819099 393008037 /nfs/dbraw/zinc/00/80/37/393008037.db2.gz XRYFNQAVBWIERP-ROUUACIJSA-N 0 3 287.403 3.395 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000346334130 393084462 /nfs/dbraw/zinc/08/44/62/393084462.db2.gz JOONZDZIPZSWQB-QLFBSQMISA-N 0 3 292.423 3.122 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000345665966 393062094 /nfs/dbraw/zinc/06/20/94/393062094.db2.gz PKTCDBVUZFKDHF-RKDXNWHRSA-N 0 3 270.254 3.042 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(SC)CC1 ZINC000347843780 393110534 /nfs/dbraw/zinc/11/05/34/393110534.db2.gz JSKZMYIUXMXMOY-UHFFFAOYSA-N 0 3 292.404 3.478 20 30 CGEDHN N#CC1(F)CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348712676 393129643 /nfs/dbraw/zinc/12/96/43/393129643.db2.gz ITNZFWREUVAEPM-HUUCEWRRSA-N 0 3 258.340 3.118 20 30 CGEDHN C=CCC[C@@H](C)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349200794 393140614 /nfs/dbraw/zinc/14/06/14/393140614.db2.gz ZPEMPPRZQTVXRC-GFCCVEGCSA-N 0 3 288.391 3.190 20 30 CGEDHN N#Cc1cc(Cl)ccc1CN[C@@H](CO)C1CCCCC1 ZINC000547831161 393153812 /nfs/dbraw/zinc/15/38/12/393153812.db2.gz MNHBNKKNFYUEFF-INIZCTEOSA-N 0 3 292.810 3.242 20 30 CGEDHN Fc1ccc(C#CCN2CCCC3(CCOCC3)C2)cc1 ZINC000269661450 393231036 /nfs/dbraw/zinc/23/10/36/393231036.db2.gz XVJITZSFAWZLJV-UHFFFAOYSA-N 0 3 287.378 3.070 20 30 CGEDHN CC(C)CCN(CCC#N)C[C@H]1CCO[C@H](C)C1 ZINC000352716821 393206688 /nfs/dbraw/zinc/20/66/88/393206688.db2.gz HLGNVLUKTMVAPX-CABCVRRESA-N 0 3 252.402 3.063 20 30 CGEDHN C=C(CC)CNCc1c[nH]nc1-c1cccc(OC)c1 ZINC000648840074 393269678 /nfs/dbraw/zinc/26/96/78/393269678.db2.gz QDLMWLLYRUPDNN-UHFFFAOYSA-N 0 3 271.364 3.141 20 30 CGEDHN C=C(C)[C@@H](CO)N1CC=C(c2ccc(CC)cc2)CC1 ZINC000649407361 393413831 /nfs/dbraw/zinc/41/38/31/393413831.db2.gz JJNMOKALROMFHA-GOSISDBHSA-N 0 3 271.404 3.275 20 30 CGEDHN Cc1cc(CN2CCC(OCC3CC3)CC2)ccc1C#N ZINC000488421844 393507654 /nfs/dbraw/zinc/50/76/54/393507654.db2.gz KXEUSBWRLWAFMI-UHFFFAOYSA-N 0 3 284.403 3.258 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000649746780 393571450 /nfs/dbraw/zinc/57/14/50/393571450.db2.gz IIFJKGXNDMAIHD-BLLLJJGKSA-N 0 3 279.811 3.239 20 30 CGEDHN N#Cc1cccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449530498 393885652 /nfs/dbraw/zinc/88/56/52/393885652.db2.gz ADWIIWHQYPUQIL-IRXDYDNUSA-N 0 3 252.361 3.179 20 30 CGEDHN CC(C)[C@@H](NCc1ccccc1C#N)C1(CO)CCCC1 ZINC000453608108 394257895 /nfs/dbraw/zinc/25/78/95/394257895.db2.gz DKQKREYIICJJJH-QGZVFWFLSA-N 0 3 286.419 3.225 20 30 CGEDHN C=CCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000668481692 543019370 /nfs/dbraw/zinc/01/93/70/543019370.db2.gz JVPDJMXZPZDYHC-UHFFFAOYSA-N 0 3 255.745 3.110 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](C)O[C@@H](C)C2)cc1 ZINC000668625500 543037147 /nfs/dbraw/zinc/03/71/47/543037147.db2.gz SEQGNXNLFTZOCH-CABCVRRESA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCC[C@@H](CC)N[C@@H](CO)c1ccc(F)cc1F ZINC000668745912 543055194 /nfs/dbraw/zinc/05/51/94/543055194.db2.gz IEADTNKPLSSYSA-DOMZBBRYSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)CN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000649781717 397718716 /nfs/dbraw/zinc/71/87/16/397718716.db2.gz YYNNQXPHFDNKRH-OCCSQVGLSA-N 0 3 275.396 3.024 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CNc2ccccc2C1 ZINC000650716904 397900640 /nfs/dbraw/zinc/90/06/40/397900640.db2.gz MRAUZRLWMCZWHG-QGZVFWFLSA-N 0 3 294.398 3.378 20 30 CGEDHN C=CCC[C@H](O)CNC1(c2ccc(F)cc2)CCC1 ZINC000675493947 543343973 /nfs/dbraw/zinc/34/39/73/543343973.db2.gz HRPOWXPCCFCPHL-HNNXBMFYSA-N 0 3 263.356 3.122 20 30 CGEDHN Cc1ncccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000676103797 543382189 /nfs/dbraw/zinc/38/21/89/543382189.db2.gz IJUCBLLZCCEQLN-OAHLLOKOSA-N 0 3 287.322 3.428 20 30 CGEDHN COCC#CCN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000678794256 543558990 /nfs/dbraw/zinc/55/89/90/543558990.db2.gz FJWXWHNPCKQVSJ-OAHLLOKOSA-N 0 3 280.371 3.049 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](C)C[C@H]1C ZINC000077320079 287038658 /nfs/dbraw/zinc/03/86/58/287038658.db2.gz JSOGJBTZQWDQAH-ZIAGYGMSSA-N 0 3 288.391 3.066 20 30 CGEDHN COc1ccc(CN2CCC(C)(C)CC2)cc1C#N ZINC000087833376 165188633 /nfs/dbraw/zinc/18/86/33/165188633.db2.gz SHHAKQXEJRSIHB-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1ccc(C#N)cc1F ZINC000091099359 165258251 /nfs/dbraw/zinc/25/82/51/165258251.db2.gz PVIZHGMODOQJNB-CYBMUJFWSA-N 0 3 266.385 3.271 20 30 CGEDHN CC[C@]1(C)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093458977 165328622 /nfs/dbraw/zinc/32/86/22/165328622.db2.gz NQRSCYDWLRDUIF-QGZVFWFLSA-N 0 3 282.391 3.218 20 30 CGEDHN C[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000122797100 287212704 /nfs/dbraw/zinc/21/27/04/287212704.db2.gz NUZUMKUFYMULRN-GWCFXTLKSA-N 0 3 275.783 3.249 20 30 CGEDHN N#Cc1ccc(OCCNC/C=C/c2ccc(F)cc2)cc1 ZINC000128422230 287310517 /nfs/dbraw/zinc/31/05/17/287310517.db2.gz LDABLFKODDVNGP-OWOJBTEDSA-N 0 3 296.345 3.379 20 30 CGEDHN Cc1ccc(NC(=O)c2ccc(C#N)cc2)c(CN(C)C)c1 ZINC000078704040 177373773 /nfs/dbraw/zinc/37/37/73/177373773.db2.gz SXQORGCERSNXNS-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC1CCCCC1 ZINC000219617431 416520997 /nfs/dbraw/zinc/52/09/97/416520997.db2.gz UAFTYKVKFPTADD-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCOCCN[C@@H](CC)c1cc(C)ccc1OC ZINC000679576690 543647777 /nfs/dbraw/zinc/64/77/77/543647777.db2.gz RMBYNZJBCCFBDJ-HNNXBMFYSA-N 0 3 263.381 3.247 20 30 CGEDHN C=CCCCN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679676510 543655840 /nfs/dbraw/zinc/65/58/40/543655840.db2.gz YWONUFOGPJSWEU-CQSZACIVSA-N 0 3 287.325 3.378 20 30 CGEDHN N#CCCCOc1cccc(CNCCC(F)(F)F)c1 ZINC000344706491 225152268 /nfs/dbraw/zinc/15/22/68/225152268.db2.gz PFZISNIAFACUBP-UHFFFAOYSA-N 0 3 286.297 3.411 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000347081189 226041827 /nfs/dbraw/zinc/04/18/27/226041827.db2.gz XGAZFPLPMASJMP-VHSXEESVSA-N 0 3 284.281 3.384 20 30 CGEDHN CC(C#N)C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000347106563 226052704 /nfs/dbraw/zinc/05/27/04/226052704.db2.gz MDTMEZRJOLCUGO-CYBMUJFWSA-N 0 3 288.416 3.367 20 30 CGEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(C)C#N ZINC000347029268 226019187 /nfs/dbraw/zinc/01/91/87/226019187.db2.gz ALVTWLXYAKEGFM-WDEREUQCSA-N 0 3 299.399 3.455 20 30 CGEDHN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(C)C#N ZINC000347394314 226145937 /nfs/dbraw/zinc/14/59/37/226145937.db2.gz XYKOKOCCMFWYLS-UKRRQHHQSA-N 0 3 288.391 3.448 20 30 CGEDHN C=CCOCCN[C@@H](c1cc(F)ccc1F)C(C)C ZINC000684557624 544013072 /nfs/dbraw/zinc/01/30/72/544013072.db2.gz YKEPFBANEHAZNV-OAHLLOKOSA-N 0 3 269.335 3.454 20 30 CGEDHN Cc1c([C@@H](C)NCCC2(C#N)CCCCC2)cnn1C ZINC000411525460 262697444 /nfs/dbraw/zinc/69/74/44/262697444.db2.gz CJVYFMNEAASMJH-CYBMUJFWSA-N 0 3 274.412 3.243 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCOC3)n1 ZINC000659010220 418957216 /nfs/dbraw/zinc/95/72/16/418957216.db2.gz JKJKWCGTWWPVCY-CQSZACIVSA-N 0 3 298.367 3.014 20 30 CGEDHN CC(C)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000659115418 418960168 /nfs/dbraw/zinc/96/01/68/418960168.db2.gz YKOKKQCQMVDVGH-AWEZNQCLSA-N 0 3 265.316 3.090 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@H]2C2CCCC2)nn1 ZINC000653503959 419040326 /nfs/dbraw/zinc/04/03/26/419040326.db2.gz BHERNWSFDFKJFS-INIZCTEOSA-N 0 3 274.412 3.009 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)Cc1ccccn1 ZINC000655842396 419115882 /nfs/dbraw/zinc/11/58/82/419115882.db2.gz BEZRNHLYNYYVSM-OAHLLOKOSA-N 0 3 282.387 3.367 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000653754959 419079946 /nfs/dbraw/zinc/07/99/46/419079946.db2.gz ASUDXCJUKJNWOF-QLFBSQMISA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCN(Cc1ccc(SC)cc1)[C@H](C)COC ZINC000661248942 419244770 /nfs/dbraw/zinc/24/47/70/419244770.db2.gz WZEVSECMRCRHAY-CYBMUJFWSA-N 0 3 265.422 3.431 20 30 CGEDHN C=CCCn1cc(CNCC[C@H]2CCCC[C@H]2C)nn1 ZINC000657361633 419259768 /nfs/dbraw/zinc/25/97/68/419259768.db2.gz OPHQYMCWWMKXBV-HUUCEWRRSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCCN1CCN(CCC=C)c2ccc(O)cc2C1 ZINC000661021329 419221625 /nfs/dbraw/zinc/22/16/25/419221625.db2.gz OQJMRZDBHVNTBN-UHFFFAOYSA-N 0 3 272.392 3.166 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCCCC(F)(F)C2)nn1 ZINC000657473383 419286743 /nfs/dbraw/zinc/28/67/43/419286743.db2.gz ZUSPDMISVCVCSX-CYBMUJFWSA-N 0 3 298.381 3.159 20 30 CGEDHN C=C(C)CCNCc1cc(F)ccc1OC(F)F ZINC000657480376 419289211 /nfs/dbraw/zinc/28/92/11/419289211.db2.gz WRNFKXNKRUZXFZ-UHFFFAOYSA-N 0 3 259.271 3.483 20 30 CGEDHN C=CCN(CC(=O)N1CCCC[C@@H]1CC)C(C)(C)C ZINC000661755222 419294999 /nfs/dbraw/zinc/29/49/99/419294999.db2.gz JNPOJVOCSVWDDJ-AWEZNQCLSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCCNCc1cn(-c2ccc(C)cc2)nc1C ZINC000657583352 419309603 /nfs/dbraw/zinc/30/96/03/419309603.db2.gz JRWOLOIBDNYSEV-UHFFFAOYSA-N 0 3 255.365 3.155 20 30 CGEDHN C=CCCCN[C@H](CC)c1nnc2n1CCCCC2 ZINC000661936268 419313731 /nfs/dbraw/zinc/31/37/31/419313731.db2.gz JCUWLAAFIVYJSY-CYBMUJFWSA-N 0 3 262.401 3.011 20 30 CGEDHN C=CCC1(NCc2cccc(OC)c2F)CCOCC1 ZINC000657633824 419317178 /nfs/dbraw/zinc/31/71/78/419317178.db2.gz YPEOKSSEXKYBJD-UHFFFAOYSA-N 0 3 279.355 3.049 20 30 CGEDHN C=CCOCCCNCc1ccc(F)cc1Cl ZINC000657658460 419320380 /nfs/dbraw/zinc/32/03/80/419320380.db2.gz ZAUGADJNSJZRTC-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=CCOCCCNCc1cn(C)nc1C1CCCCC1 ZINC000657658096 419320766 /nfs/dbraw/zinc/32/07/66/419320766.db2.gz MEUWTYMTGCTKFI-UHFFFAOYSA-N 0 3 291.439 3.150 20 30 CGEDHN COc1ccc([C@@H](C)NCC2(CC#N)CC2)c(C)c1OC ZINC000353590161 228127303 /nfs/dbraw/zinc/12/73/03/228127303.db2.gz STLPCUJVVHWMJM-CYBMUJFWSA-N 0 3 288.391 3.357 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000662083068 419333376 /nfs/dbraw/zinc/33/33/76/419333376.db2.gz ZLVRAVUHJPJDOO-NXHRZFHOSA-N 0 3 298.430 3.217 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccccc1C ZINC000662079496 419333497 /nfs/dbraw/zinc/33/34/97/419333497.db2.gz GROAKHIHYQXHQE-HDICACEKSA-N 0 3 298.430 3.136 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000662083001 419333601 /nfs/dbraw/zinc/33/36/01/419333601.db2.gz ZCNYDKHBMAVTHS-JJTUDDRGSA-N 0 3 290.451 3.347 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000336052336 228182714 /nfs/dbraw/zinc/18/27/14/228182714.db2.gz DUZJLJYSSNQQOF-ONGXEEELSA-N 0 3 252.720 3.261 20 30 CGEDHN C=CCCC(C)(C)NCc1nc2c(s1)CCC2 ZINC000657804640 419361964 /nfs/dbraw/zinc/36/19/64/419361964.db2.gz ADZQRSPSSIJZDE-UHFFFAOYSA-N 0 3 250.411 3.466 20 30 CGEDHN C=CCCCCCN(C)C(=O)c1cc2c(s1)CCNC2 ZINC000662469678 419443022 /nfs/dbraw/zinc/44/30/22/419443022.db2.gz DNIOSDYAESPOBS-UHFFFAOYSA-N 0 3 292.448 3.212 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cc2cnccc2o1 ZINC000657933243 419448304 /nfs/dbraw/zinc/44/83/04/419448304.db2.gz QEMUITAEWANTMO-GFCCVEGCSA-N 0 3 260.337 3.071 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000662629964 419469739 /nfs/dbraw/zinc/46/97/39/419469739.db2.gz GCPMQZDKWQKCOU-UXLLHSPISA-N 0 3 286.419 3.137 20 30 CGEDHN C=CCCN[C@@H](COC)c1cccc(Cl)c1F ZINC000658114521 419588147 /nfs/dbraw/zinc/58/81/47/419588147.db2.gz PZLJSPODFHIOGK-LBPRGKRZSA-N 0 3 257.736 3.332 20 30 CGEDHN C=CCC[C@H](NC[C@@H](CO)CC1CC1)c1ccco1 ZINC000658257294 419713356 /nfs/dbraw/zinc/71/33/56/419713356.db2.gz ZIHBLRPURUEHNP-GJZGRUSLSA-N 0 3 263.381 3.285 20 30 CGEDHN C=C(C)CN1CCC(Nc2cc(OCC)ncc2F)CC1 ZINC000663567231 419648712 /nfs/dbraw/zinc/64/87/12/419648712.db2.gz BQYBMPJPDKKTFT-UHFFFAOYSA-N 0 3 293.386 3.072 20 30 CGEDHN COc1ccccc1C[C@@H](C)N(C)CCC(C)(C)C#N ZINC000088194820 260229139 /nfs/dbraw/zinc/22/91/39/260229139.db2.gz VWHXZVHLYZXMFW-CQSZACIVSA-N 0 3 274.408 3.498 20 30 CGEDHN COc1ccc(Cl)cc1CN(C)CCCCC#N ZINC000078731409 260301848 /nfs/dbraw/zinc/30/18/48/260301848.db2.gz QQZLXFFTEHSYMF-UHFFFAOYSA-N 0 3 266.772 3.474 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000090450927 260359609 /nfs/dbraw/zinc/35/96/09/260359609.db2.gz MGRBXVWKTNTSOG-LBPRGKRZSA-N 0 3 267.344 3.078 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000248907242 261215215 /nfs/dbraw/zinc/21/52/15/261215215.db2.gz UYYPBGHCECNBHM-GZBFAFLISA-N 0 3 286.375 3.191 20 30 CGEDHN C=C(CC)CN[C@H](CO)c1cccc(Br)c1 ZINC000309539867 261940422 /nfs/dbraw/zinc/94/04/22/261940422.db2.gz GFVXVNNWIRSQAI-CYBMUJFWSA-N 0 3 284.197 3.038 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC2(c3cccc(F)c3)CC2)C1 ZINC000193092753 262215946 /nfs/dbraw/zinc/21/59/46/262215946.db2.gz YWJIBPMDJGHXNV-DOMZBBRYSA-N 0 3 258.340 3.487 20 30 CGEDHN C=CCCCCNCc1cccc2c1OCCCO2 ZINC000311988339 262345383 /nfs/dbraw/zinc/34/53/83/262345383.db2.gz PLNVDNIDEJSRPR-UHFFFAOYSA-N 0 3 261.365 3.294 20 30 CGEDHN CC(C)(C#N)CCCCN1CC[C@H](Oc2ccncc2)C1 ZINC000336845420 262399206 /nfs/dbraw/zinc/39/92/06/262399206.db2.gz QCELDONYZMEDLK-INIZCTEOSA-N 0 3 287.407 3.255 20 30 CGEDHN COC(=O)C(C)(C)CCN[C@@H](CCC#N)c1ccccc1 ZINC000338567935 262545654 /nfs/dbraw/zinc/54/56/54/262545654.db2.gz LEWZSACBGMVIDO-HNNXBMFYSA-N 0 3 288.391 3.210 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000339071129 262592661 /nfs/dbraw/zinc/59/26/61/262592661.db2.gz QUTDWBQSDPAYPW-AWEZNQCLSA-N 0 3 293.407 3.336 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCc3c(O)cccc32)C1 ZINC000339130616 262604325 /nfs/dbraw/zinc/60/43/25/262604325.db2.gz ZXQVBSYOWFGIHV-XUJVJEKNSA-N 0 3 256.349 3.051 20 30 CGEDHN COCCN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000272005764 263001238 /nfs/dbraw/zinc/00/12/38/263001238.db2.gz JAAFBFYAAWEREY-UHFFFAOYSA-N 0 3 260.381 3.075 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000272020620 263001535 /nfs/dbraw/zinc/00/15/35/263001535.db2.gz MPSNZYZCZDHEIL-NSHDSACASA-N 0 3 261.325 3.185 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000272904688 263009881 /nfs/dbraw/zinc/00/98/81/263009881.db2.gz GOWWSIDLFHUYIV-BLVKFPJESA-N 0 3 278.421 3.014 20 30 CGEDHN C=C(C)COc1cc(CNCCCC#N)ccc1OC ZINC000273063144 263012172 /nfs/dbraw/zinc/01/21/72/263012172.db2.gz MUMADGCPDVIKDB-UHFFFAOYSA-N 0 3 274.364 3.043 20 30 CGEDHN Cc1cc(C)c2c(c1)[C@@H](NCCCC#N)CCCO2 ZINC000273314754 263015062 /nfs/dbraw/zinc/01/50/62/263015062.db2.gz XQEAAGNCCAGDOP-HNNXBMFYSA-N 0 3 258.365 3.411 20 30 CGEDHN CC[C@H](CC#N)NC1CCN(c2ccc(F)cc2F)CC1 ZINC000273833552 263019696 /nfs/dbraw/zinc/01/96/96/263019696.db2.gz GKOQYSLUIIMLQA-CYBMUJFWSA-N 0 3 293.361 3.215 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(N2CCCC2=O)c1 ZINC000274578129 263026854 /nfs/dbraw/zinc/02/68/54/263026854.db2.gz BWIRTPHTKGNIRO-LZWOXQAQSA-N 0 3 297.402 3.156 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000278724921 263050260 /nfs/dbraw/zinc/05/02/60/263050260.db2.gz VHPMDZPDBFRVKQ-HNJNHCNJSA-N 0 3 298.386 3.191 20 30 CGEDHN COC[C@@H](NCCCCC(C)(C)C#N)c1ccco1 ZINC000278739736 263050511 /nfs/dbraw/zinc/05/05/11/263050511.db2.gz LQJGVBPRJGVSBX-CYBMUJFWSA-N 0 3 264.369 3.277 20 30 CGEDHN CCN(CCCC1(C#N)CCOCC1)Cc1ccncc1 ZINC000281146698 263066850 /nfs/dbraw/zinc/06/68/50/263066850.db2.gz BCDCYUIPIIWWGZ-UHFFFAOYSA-N 0 3 287.407 3.004 20 30 CGEDHN CN(CCCC1(C#N)CCOCC1)Cc1cccs1 ZINC000282019851 263073628 /nfs/dbraw/zinc/07/36/28/263073628.db2.gz PCKSWHTXDQMMCP-UHFFFAOYSA-N 0 3 278.421 3.280 20 30 CGEDHN C[C@H](c1ccccn1)N(C)CCCC1(C#N)CCOCC1 ZINC000282143072 263074606 /nfs/dbraw/zinc/07/46/06/263074606.db2.gz ZRFKAINNUJZOGR-OAHLLOKOSA-N 0 3 287.407 3.175 20 30 CGEDHN C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1[O-] ZINC000282471674 263077010 /nfs/dbraw/zinc/07/70/10/263077010.db2.gz WJDUIJXMCMUXSO-HSBZDZAISA-N 0 3 258.365 3.373 20 30 CGEDHN CN(CCc1cccc([N+](=O)[O-])c1)CCC(C)(C)C#N ZINC000282518018 263077154 /nfs/dbraw/zinc/07/71/54/263077154.db2.gz SSXBOCMHUUFZCG-UHFFFAOYSA-N 0 3 275.352 3.009 20 30 CGEDHN C[C@@H]1Oc2ccccc2[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000290280841 263115789 /nfs/dbraw/zinc/11/57/89/263115789.db2.gz ZALFYWNNLJEDTG-VPWBDBDCSA-N 0 3 256.349 3.181 20 30 CGEDHN CCCC[C@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291102254 263120113 /nfs/dbraw/zinc/12/01/13/263120113.db2.gz ZUMSYPMDHLJFPR-WMLDXEAASA-N 0 3 297.402 3.278 20 30 CGEDHN CC(C)(NCCCCC#N)c1ccccc1[N+](=O)[O-] ZINC000292055354 263127744 /nfs/dbraw/zinc/12/77/44/263127744.db2.gz BXBIKVGUNGHJRV-UHFFFAOYSA-N 0 3 261.325 3.113 20 30 CGEDHN N#CCCOCCN(Cc1ccccc1Cl)CC1CC1 ZINC000293661404 263146350 /nfs/dbraw/zinc/14/63/50/263146350.db2.gz UAHXYLITCUAXJI-UHFFFAOYSA-N 0 3 292.810 3.482 20 30 CGEDHN C[C@H](CCC#N)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000297749435 263209222 /nfs/dbraw/zinc/20/92/22/263209222.db2.gz CYEXOEJLSRPNJK-CQSZACIVSA-N 0 3 283.375 3.094 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000297749434 263209310 /nfs/dbraw/zinc/20/93/10/263209310.db2.gz CYEXOEJLSRPNJK-AWEZNQCLSA-N 0 3 283.375 3.094 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](CC)c1cc(F)ccc1F ZINC000453338135 263241639 /nfs/dbraw/zinc/24/16/39/263241639.db2.gz CDYXYEUDPBDYCU-IUODEOHRSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1sc(C)nc1C ZINC000453357456 263248932 /nfs/dbraw/zinc/24/89/32/263248932.db2.gz OMHXCNGMOAYCSL-UHTWSYAYSA-N 0 3 266.410 3.144 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000341101218 263322126 /nfs/dbraw/zinc/32/21/26/263322126.db2.gz JDAQLHZUTWUPFJ-GDBMZVCRSA-N 0 3 270.376 3.160 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000341281546 263329880 /nfs/dbraw/zinc/32/98/80/263329880.db2.gz VSSGTYJKTDBBEZ-CYBMUJFWSA-N 0 3 289.350 3.360 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccsc2)s1 ZINC000341278403 263329989 /nfs/dbraw/zinc/32/99/89/263329989.db2.gz RXEWZDUZGUKNPN-LLVKDONJSA-N 0 3 294.445 3.146 20 30 CGEDHN C=CC[C@H](CO)CNCc1c(Cl)oc2ccccc21 ZINC000341312980 263333711 /nfs/dbraw/zinc/33/37/11/263333711.db2.gz RRSDTRDZGCIRTJ-NSHDSACASA-N 0 3 279.767 3.360 20 30 CGEDHN C=CCC[C@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000341947787 263367855 /nfs/dbraw/zinc/36/78/55/263367855.db2.gz UAZDPIKKENVOFX-HNNXBMFYSA-N 0 3 285.343 3.143 20 30 CGEDHN C=CCCCCCN(C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425413970 264292094 /nfs/dbraw/zinc/29/20/94/264292094.db2.gz FHOYAUGXYBJRMR-CQSZACIVSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCOCCN1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425480872 264349018 /nfs/dbraw/zinc/34/90/18/264349018.db2.gz RFXOZTXIBMDIQP-OAHLLOKOSA-N 0 3 297.439 3.165 20 30 CGEDHN CC(C)[C@@H]1CN(C)CCN1CCC1(C#N)CCCCC1 ZINC000425483573 264358680 /nfs/dbraw/zinc/35/86/80/264358680.db2.gz RKROFRZYQSMDNP-INIZCTEOSA-N 0 3 277.456 3.123 20 30 CGEDHN C=CCN1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000334508530 264387860 /nfs/dbraw/zinc/38/78/60/264387860.db2.gz LJEGMYPBUHJODH-OAHLLOKOSA-N 0 3 290.794 3.274 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](COCC)C2)c1 ZINC000180152647 264392260 /nfs/dbraw/zinc/39/22/60/264392260.db2.gz WSNJVIHIWXWNOE-INIZCTEOSA-N 0 3 275.392 3.110 20 30 CGEDHN C=CCN1CCC([NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000185210785 265003224 /nfs/dbraw/zinc/00/32/24/265003224.db2.gz AOYCHXPBZJNFKR-MRXNPFEDSA-N 0 3 274.408 3.083 20 30 CGEDHN Cc1cccc(OCCNCc2ccc(C#N)cc2)c1 ZINC000049899758 270040421 /nfs/dbraw/zinc/04/04/21/270040421.db2.gz ITYFEMKUVUTXFK-UHFFFAOYSA-N 0 3 266.344 3.035 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000442851548 265134503 /nfs/dbraw/zinc/13/45/03/265134503.db2.gz FCUNXSSJJDFOQM-XFJVYGCCSA-N 0 3 258.340 3.485 20 30 CGEDHN CCOC(=O)C[C@](C)(NCc1ccccc1C#N)C(C)C ZINC000185235222 270062144 /nfs/dbraw/zinc/06/21/44/270062144.db2.gz FKUGAZAJUHFWGK-KRWDZBQOSA-N 0 3 288.391 3.016 20 30 CGEDHN COc1cccc2c1CCN(Cc1ccccc1C#N)CC2 ZINC000193703847 270079708 /nfs/dbraw/zinc/07/97/08/270079708.db2.gz PXHZNHGPEHNKJN-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN CCCN(CC#N)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000357592326 266331377 /nfs/dbraw/zinc/33/13/77/266331377.db2.gz ISEBQTPTKDJJGS-UHFFFAOYSA-N 0 3 299.418 3.047 20 30 CGEDHN N#CC1(CNC2CC(c3ccc(F)cc3)C2)CCC1 ZINC000418140069 267361990 /nfs/dbraw/zinc/36/19/90/267361990.db2.gz INBGUUWRSDLJBC-UHFFFAOYSA-N 0 3 258.340 3.355 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)CCC1 ZINC000418139608 267362274 /nfs/dbraw/zinc/36/22/74/267362274.db2.gz HVCCFBVJORTISV-GDBMZVCRSA-N 0 3 269.392 3.391 20 30 CGEDHN N#Cc1ccc(C2(N[C@@H]3C=CCCC3)CCOCC2)cc1 ZINC000528784918 270173196 /nfs/dbraw/zinc/17/31/96/270173196.db2.gz UTWRFEXOPSFCGZ-QGZVFWFLSA-N 0 3 282.387 3.262 20 30 CGEDHN N#Cc1cccc(C2(N[C@@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000278712515 268241539 /nfs/dbraw/zinc/24/15/39/268241539.db2.gz LQFLXXLNLMJEKF-GOEBONIOSA-N 0 3 265.360 3.219 20 30 CGEDHN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000336412553 274525556 /nfs/dbraw/zinc/52/55/56/274525556.db2.gz AUHWJDDJVGHUON-SJCJKPOMSA-N 0 3 280.375 3.400 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](NCc1cc(C#N)n(C)c1)CCC2 ZINC000191520583 274774333 /nfs/dbraw/zinc/77/43/33/274774333.db2.gz QLBJSAXYRZVCAQ-SFHVURJKSA-N 0 3 279.387 3.372 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2C(F)(F)F)C1 ZINC000349823906 274916922 /nfs/dbraw/zinc/91/69/22/274916922.db2.gz XDKSMNZGCPQDHD-PWSUYJOCSA-N 0 3 268.282 3.487 20 30 CGEDHN C=C1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000271168811 275420809 /nfs/dbraw/zinc/42/08/09/275420809.db2.gz OVRWVTOYPHUTCY-UHFFFAOYSA-N 0 3 254.333 3.092 20 30 CGEDHN C=C[C@H](CO)NC1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000353576409 275438334 /nfs/dbraw/zinc/43/83/34/275438334.db2.gz NJJMRBOLMBBWQC-HRDQMINSSA-N 0 3 285.309 3.088 20 30 CGEDHN CCC[C@@]1(CO)CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000288899705 276036974 /nfs/dbraw/zinc/03/69/74/276036974.db2.gz SMCGGPZADUYIHW-RHSMWYFYSA-N 0 3 272.392 3.104 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000120918589 276350249 /nfs/dbraw/zinc/35/02/49/276350249.db2.gz YMKUQGRPGBHLOE-DLBZAZTESA-N 0 3 284.403 3.338 20 30 CGEDHN C[C@H](N[C@@H]1CSC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000354012361 278277448 /nfs/dbraw/zinc/27/74/48/278277448.db2.gz ZEGPQBFAGMYBLT-ISTVAULSSA-N 0 3 264.369 3.099 20 30 CGEDHN Cc1ccc(CCN[C@H](C)c2ccc(C#N)cc2F)o1 ZINC000542833716 288774043 /nfs/dbraw/zinc/77/40/43/288774043.db2.gz HGPRXPDTEVQVFU-GFCCVEGCSA-N 0 3 272.323 3.492 20 30 CGEDHN N#Cc1ccc(CN[C@@H](Cc2ccccc2)C2CC2)nc1 ZINC000554077667 289255743 /nfs/dbraw/zinc/25/57/43/289255743.db2.gz BDADRKLNLWPGMD-SFHVURJKSA-N 0 3 277.371 3.064 20 30 CGEDHN C[C@H](N[C@H]1CCCc2c1cnn2C)c1ccc(C#N)cc1 ZINC000036991957 290050459 /nfs/dbraw/zinc/05/04/59/290050459.db2.gz IQZPCJVXPZCQOE-LRDDRELGSA-N 0 3 280.375 3.020 20 30 CGEDHN C[C@H]1CN(c2ccc(C#N)cc2F)CCN(C2CCC2)C1 ZINC000292348275 300296667 /nfs/dbraw/zinc/29/66/67/300296667.db2.gz QNPBBFWTKQAQGF-CYBMUJFWSA-N 0 3 287.382 3.008 20 30 CGEDHN CCC[C@@H](NCCOc1ccc(C#N)cc1)c1cccnc1 ZINC000186079980 327681154 /nfs/dbraw/zinc/68/11/54/327681154.db2.gz MALPOOYMRRBPLO-GOSISDBHSA-N 0 3 295.386 3.463 20 30 CGEDHN COc1cc(C)cc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185866638 327848718 /nfs/dbraw/zinc/84/87/18/327848718.db2.gz PWHLJGGYQWKLRW-DZGCQCFKSA-N 0 3 258.365 3.176 20 30 CGEDHN C=CCOCCN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000338918113 327992162 /nfs/dbraw/zinc/99/21/62/327992162.db2.gz CZEUVOZTASBIAB-UHFFFAOYSA-N 0 3 289.419 3.349 20 30 CGEDHN CC[C@H](CC#N)NCCCC(=O)Nc1c(C)cccc1C ZINC000563367378 328059865 /nfs/dbraw/zinc/05/98/65/328059865.db2.gz MKRIGCLJISIWPZ-OAHLLOKOSA-N 0 3 287.407 3.304 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000412825379 328126813 /nfs/dbraw/zinc/12/68/13/328126813.db2.gz PHLRGABVBIGKIA-NEPJUHHUSA-N 0 3 250.386 3.209 20 30 CGEDHN N#CCCCN1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268398179 328184885 /nfs/dbraw/zinc/18/48/85/328184885.db2.gz TWJJHDHTXPEWAM-LSDHHAIUSA-N 0 3 276.380 3.251 20 30 CGEDHN N#CCCCNCc1ccc(SC(F)F)cc1 ZINC000273083076 328203748 /nfs/dbraw/zinc/20/37/48/328203748.db2.gz RAVCWQOHEBAFKA-UHFFFAOYSA-N 0 3 256.321 3.395 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3c2cccc3F)C1 ZINC000274222069 328209786 /nfs/dbraw/zinc/20/97/86/328209786.db2.gz QBAPUHJRYITVJQ-XHBSWPGZSA-N 0 3 258.340 3.485 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000278620852 328228677 /nfs/dbraw/zinc/22/86/77/328228677.db2.gz NFVVETIFSNTXFO-WMLDXEAASA-N 0 3 297.402 3.029 20 30 CGEDHN CC(C)(CCC#N)CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290779255 328260313 /nfs/dbraw/zinc/26/03/13/328260313.db2.gz CTNVUSUWAXIXHI-ZDUSSCGKSA-N 0 3 280.803 3.113 20 30 CGEDHN C[C@@H]1CSC[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000295606513 328286346 /nfs/dbraw/zinc/28/63/46/328286346.db2.gz GCDWZRZHFJNWAM-YUELXQCFSA-N 0 3 260.406 3.373 20 30 CGEDHN CN(Cc1cnc2c(C#N)cnn2c1)C1CCC(C)(C)CC1 ZINC000564988818 322052564 /nfs/dbraw/zinc/05/25/64/322052564.db2.gz LDGXDEPUXQSPIY-UHFFFAOYSA-N 0 3 297.406 3.002 20 30 CGEDHN CC(C)CN1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000565906394 322096721 /nfs/dbraw/zinc/09/67/21/322096721.db2.gz XYVQUDQDOHTJFF-UHFFFAOYSA-N 0 3 293.361 3.274 20 30 CGEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cn2ccccc2n1 ZINC000571825505 322308895 /nfs/dbraw/zinc/30/88/95/322308895.db2.gz RQKVTPHZUKKSGP-CQSZACIVSA-N 0 3 290.370 3.099 20 30 CGEDHN CC1(C)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000572606416 322346093 /nfs/dbraw/zinc/34/60/93/322346093.db2.gz RDIYLHYGXBFVNW-UHFFFAOYSA-N 0 3 287.363 3.479 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CC1 ZINC000573328512 322382510 /nfs/dbraw/zinc/38/25/10/322382510.db2.gz OZHJAPCTQQDORU-UHFFFAOYSA-N 0 3 273.336 3.088 20 30 CGEDHN N#CC(C(=O)c1ccccc1OCC1CC1)c1ccccn1 ZINC000102118879 328395026 /nfs/dbraw/zinc/39/50/26/328395026.db2.gz XJNMEFWZSLETSP-OAHLLOKOSA-N 0 3 292.338 3.360 20 30 CGEDHN C[C@H](CCc1ccc(Cl)s1)NC[C@H](C)C#N ZINC000381047699 327086742 /nfs/dbraw/zinc/08/67/42/327086742.db2.gz FYLJZKVABBJBCX-NXEZZACHSA-N 0 3 256.802 3.472 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cc(C)ccc1OC ZINC000090883901 327101591 /nfs/dbraw/zinc/10/15/91/327101591.db2.gz OFFUVNSICVYHST-CQSZACIVSA-N 0 3 263.381 3.247 20 30 CGEDHN CC(C)Oc1ccccc1[C@H](C)NCCOCCC#N ZINC000559147150 327143290 /nfs/dbraw/zinc/14/32/90/327143290.db2.gz MPIBVPOXHGTPCG-AWEZNQCLSA-N 0 3 276.380 3.055 20 30 CGEDHN C=CCOCCN1CCC(c2cccc(F)c2F)CC1 ZINC000559154810 327143751 /nfs/dbraw/zinc/14/37/51/327143751.db2.gz GGVSBTOZRSTFHQ-UHFFFAOYSA-N 0 3 281.346 3.347 20 30 CGEDHN C[C@@H](c1ccco1)N(CCCSCC#N)C1CC1 ZINC000086233769 327156385 /nfs/dbraw/zinc/15/63/85/327156385.db2.gz HHBRZGDIYONXOY-LBPRGKRZSA-N 0 3 264.394 3.452 20 30 CGEDHN C=CCN(CCCCC#N)Cc1ccc(OC)cc1 ZINC000102397666 327227047 /nfs/dbraw/zinc/22/70/47/327227047.db2.gz GTRHDXHTLTWEBK-UHFFFAOYSA-N 0 3 258.365 3.377 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc(C(C)C)n2ccccc12 ZINC000582126696 327331488 /nfs/dbraw/zinc/33/14/88/327331488.db2.gz PIJCVQCWGXKYOR-YOEHRIQHSA-N 0 3 299.418 3.138 20 30 CGEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C1CC1 ZINC000427576036 327397750 /nfs/dbraw/zinc/39/77/50/327397750.db2.gz ZCVQBGZAKZLENI-IRXDYDNUSA-N 0 3 296.414 3.406 20 30 CGEDHN C=CCSCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156477249 327405264 /nfs/dbraw/zinc/40/52/64/327405264.db2.gz NNEGVXDBBHMLHE-ZDUSSCGKSA-N 0 3 251.395 3.352 20 30 CGEDHN C=C[C@@H](CO)NCc1ccc2c(c1)c1ccccc1n2CC ZINC000352454486 328751368 /nfs/dbraw/zinc/75/13/68/328751368.db2.gz UQHIMCPTXZYHTQ-HNNXBMFYSA-N 0 3 294.398 3.451 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1ccc(OC)nc1OC ZINC000563920274 328836664 /nfs/dbraw/zinc/83/66/64/328836664.db2.gz DMPVSRANLSJLKN-CQSZACIVSA-N 0 3 278.396 3.323 20 30 CGEDHN C=C[C@H](C)N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358745458 328893158 /nfs/dbraw/zinc/89/31/58/328893158.db2.gz DZUYNIIAEVQZHI-XJKSGUPXSA-N 0 3 267.376 3.414 20 30 CGEDHN CC#CCCNCc1cccc(OCC)c1OC(F)F ZINC000360968633 328913388 /nfs/dbraw/zinc/91/33/88/328913388.db2.gz LABAXLCRINQMEO-UHFFFAOYSA-N 0 3 283.318 3.190 20 30 CGEDHN COc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000193703669 329061226 /nfs/dbraw/zinc/06/12/26/329061226.db2.gz GEMMYCCTCVNKOP-CQSZACIVSA-N 0 3 296.370 3.448 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cnn(C=C)c1 ZINC000193801966 329063006 /nfs/dbraw/zinc/06/30/06/329063006.db2.gz UKPWEJBQXVKFFZ-UHFFFAOYSA-N 0 3 267.376 3.214 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cc(Cl)ccc1Cl ZINC000320989991 329151254 /nfs/dbraw/zinc/15/12/54/329151254.db2.gz IYLYKIDKTGTWIC-LBPRGKRZSA-N 0 3 274.191 3.410 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@]2(C)CO)cc1Cl ZINC000530359163 329356049 /nfs/dbraw/zinc/35/60/49/329356049.db2.gz BVHPFXVIFYNRED-INIZCTEOSA-N 0 3 295.810 3.252 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000321537062 329372607 /nfs/dbraw/zinc/37/26/07/329372607.db2.gz ZMYXUBSKGVIVOF-GOEBONIOSA-N 0 3 292.379 3.353 20 30 CGEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(OCC)cc1 ZINC000137438869 329675867 /nfs/dbraw/zinc/67/58/67/329675867.db2.gz WFWONLBWUQSEQP-UHFFFAOYSA-N 0 3 288.391 3.088 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000079324083 330022216 /nfs/dbraw/zinc/02/22/16/330022216.db2.gz WDPUWIMJAARMPH-HOTGVXAUSA-N 0 3 286.419 3.235 20 30 CGEDHN C=C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000264472026 330061216 /nfs/dbraw/zinc/06/12/16/330061216.db2.gz NUSXPRJNNZHAIE-UHFFFAOYSA-N 0 3 253.349 3.024 20 30 CGEDHN COc1ccc([C@@H](NCCCC#N)C2CC2)c(F)c1 ZINC000421845828 330095055 /nfs/dbraw/zinc/09/50/55/330095055.db2.gz YBLIZHOVBIGUIT-HNNXBMFYSA-N 0 3 262.328 3.179 20 30 CGEDHN N#CCCC[C@H](N)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000424088632 330224296 /nfs/dbraw/zinc/22/42/96/330224296.db2.gz HFOPNNLUGMUCFR-IRXDYDNUSA-N 0 3 299.418 3.151 20 30 CGEDHN C[C@H]1C[C@H](C)N1Cc1cccc(OCCCC#N)c1 ZINC000527238691 330240461 /nfs/dbraw/zinc/24/04/61/330240461.db2.gz OZMGINDRSCHYQG-KBPBESRZSA-N 0 3 258.365 3.352 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2c(C3CC3)nc3sccn23)C1 ZINC000424198482 330326098 /nfs/dbraw/zinc/32/60/98/330326098.db2.gz PJVTYSUOOBNNQK-PWSUYJOCSA-N 0 3 286.404 3.055 20 30 CGEDHN C=CCn1cc(CN[C@H](Cc2ccc(C)cc2)C(C)C)nn1 ZINC000424296050 330336026 /nfs/dbraw/zinc/33/60/26/330336026.db2.gz OAQFFKBKAZTJHP-GOSISDBHSA-N 0 3 298.434 3.129 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000424300451 330337129 /nfs/dbraw/zinc/33/71/29/330337129.db2.gz XQUCCVOOTMOEBH-MSOLQXFVSA-N 0 3 296.418 3.280 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCOc2ccc(OC)cc21 ZINC000090451354 330392717 /nfs/dbraw/zinc/39/27/17/330392717.db2.gz SFOIXLXGYDEXGH-INIZCTEOSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CCCOCCN[C@H]1CSCCc2ccccc21 ZINC000090883988 330396595 /nfs/dbraw/zinc/39/65/95/330396595.db2.gz QUILUNMMDICKDS-INIZCTEOSA-N 0 3 277.433 3.199 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000537092343 330398472 /nfs/dbraw/zinc/39/84/72/330398472.db2.gz STWHCXOYJUFACF-STQMWFEESA-N 0 3 299.361 3.432 20 30 CGEDHN Cc1nccn1-c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000442794827 330784103 /nfs/dbraw/zinc/78/41/03/330784103.db2.gz QKHKPGFQNUYSLN-UKRRQHHQSA-N 0 3 298.365 3.102 20 30 CGEDHN C=CCOc1cccc(CN2CCC(CF)CC2)c1 ZINC000449451579 330926865 /nfs/dbraw/zinc/92/68/65/330926865.db2.gz DGFOFRHWRNZJAP-UHFFFAOYSA-N 0 3 263.356 3.433 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc(Cl)c(F)c2)C1 ZINC000449483820 330929690 /nfs/dbraw/zinc/92/96/90/330929690.db2.gz CLMFPQZQHUMKNU-WDEREUQCSA-N 0 3 282.746 3.140 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccccc2)s1 ZINC000449518754 330933175 /nfs/dbraw/zinc/93/31/75/330933175.db2.gz KVZWDMSYXVOMQD-CABCVRRESA-N 0 3 286.400 3.243 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000449733802 330946713 /nfs/dbraw/zinc/94/67/13/330946713.db2.gz KGPLDHVLSDWTLJ-GFCCVEGCSA-N 0 3 276.380 3.270 20 30 CGEDHN CN(CC1(C#N)CCC1)C1CCN(c2ccccc2)CC1 ZINC000450897466 331005665 /nfs/dbraw/zinc/00/56/65/331005665.db2.gz PWRBVEXWYXNIGH-UHFFFAOYSA-N 0 3 283.419 3.281 20 30 CGEDHN C=CCC1(C(=O)N(C)CC2(N(C)C)CCC2)CCCC1 ZINC000451002799 331011324 /nfs/dbraw/zinc/01/13/24/331011324.db2.gz CYLHYDOHBVUFPO-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC(C)(C)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000451211215 331020714 /nfs/dbraw/zinc/02/07/14/331020714.db2.gz LVHSMINDGSZNFQ-UHFFFAOYSA-N 0 3 255.365 3.379 20 30 CGEDHN CC[C@H]1CN(CC)CCN1CC#Cc1ccc(Cl)cc1 ZINC000451734344 331040594 /nfs/dbraw/zinc/04/05/94/331040594.db2.gz WPDFNEBTMYPCJG-KRWDZBQOSA-N 0 3 290.838 3.108 20 30 CGEDHN CC1(C)COC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000451815363 331043532 /nfs/dbraw/zinc/04/35/32/331043532.db2.gz ZFTFRIMOQKEUNB-CQSZACIVSA-N 0 3 297.320 3.072 20 30 CGEDHN CC(C)(C#N)CCN[C@H](c1cccs1)C1(CO)CCC1 ZINC000452064136 331052550 /nfs/dbraw/zinc/05/25/50/331052550.db2.gz ZAJMXSNXUCBUGG-CQSZACIVSA-N 0 3 292.448 3.481 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452343166 331062784 /nfs/dbraw/zinc/06/27/84/331062784.db2.gz KESSDBYCIUFDBH-RDJZCZTQSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000452720450 331073739 /nfs/dbraw/zinc/07/37/39/331073739.db2.gz WZEMIVHRYWWJQG-UHFFFAOYSA-N 0 3 286.375 3.190 20 30 CGEDHN C=C(CC)CN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000453353411 331120989 /nfs/dbraw/zinc/12/09/89/331120989.db2.gz JCDYDMRYMZBIHI-OAHLLOKOSA-N 0 3 261.365 3.465 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000453372276 331124276 /nfs/dbraw/zinc/12/42/76/331124276.db2.gz SELCCVOAQMUYCO-GFCCVEGCSA-N 0 3 276.380 3.270 20 30 CGEDHN C=CCC1(NC(=O)NC[C@H](C)N(C)C2CC2)CCCCC1 ZINC000458289849 331247436 /nfs/dbraw/zinc/24/74/36/331247436.db2.gz LZQNCKBAYDSMHW-AWEZNQCLSA-N 0 3 293.455 3.047 20 30 CGEDHN C=C[C@@H](C)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459433269 331281148 /nfs/dbraw/zinc/28/11/48/331281148.db2.gz BNDABDDBODAREJ-SECBINFHSA-N 0 3 255.745 3.108 20 30 CGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459668058 331293182 /nfs/dbraw/zinc/29/31/82/331293182.db2.gz DTRLBGUYJXWBOW-GFCCVEGCSA-N 0 3 264.417 3.327 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1nnc(C(C)(C)C)[nH]1 ZINC000459668058 331293183 /nfs/dbraw/zinc/29/31/83/331293183.db2.gz DTRLBGUYJXWBOW-GFCCVEGCSA-N 0 3 264.417 3.327 20 30 CGEDHN CC#CCCN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000462322659 331319480 /nfs/dbraw/zinc/31/94/80/331319480.db2.gz ZELSMHTVMDMLNT-UHFFFAOYSA-N 0 3 271.282 3.430 20 30 CGEDHN C=CC[C@@H](CC)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000466403498 331395163 /nfs/dbraw/zinc/39/51/63/331395163.db2.gz FXSVCJKBOPQBHQ-LLVKDONJSA-N 0 3 299.317 3.461 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@H](CCC)NC(C)C)c1 ZINC000473320268 331550420 /nfs/dbraw/zinc/55/04/20/331550420.db2.gz LFHHASUPZAYPDU-INIZCTEOSA-N 0 3 290.407 3.357 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](COC)CC(C)C ZINC000482887743 331850764 /nfs/dbraw/zinc/85/07/64/331850764.db2.gz IYZFAIKBDWDTIM-MRXNPFEDSA-N 0 3 277.408 3.402 20 30 CGEDHN C=CCCCCCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000488437798 332008355 /nfs/dbraw/zinc/00/83/55/332008355.db2.gz XAANGNKUYIPLBF-LBPRGKRZSA-N 0 3 265.319 3.122 20 30 CGEDHN C=CCCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488989886 332036761 /nfs/dbraw/zinc/03/67/61/332036761.db2.gz VHTJAGAMCOSROT-CYBMUJFWSA-N 0 3 264.344 3.030 20 30 CGEDHN C=CCCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000488989888 332036831 /nfs/dbraw/zinc/03/68/31/332036831.db2.gz VHTJAGAMCOSROT-ZDUSSCGKSA-N 0 3 264.344 3.030 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)C[C@H](C)CC ZINC000489337919 332047394 /nfs/dbraw/zinc/04/73/94/332047394.db2.gz XWUVUYBBLCLOPW-HUUCEWRRSA-N 0 3 268.445 3.168 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)C[C@@H](C)CC ZINC000489337918 332047532 /nfs/dbraw/zinc/04/75/32/332047532.db2.gz XWUVUYBBLCLOPW-GJZGRUSLSA-N 0 3 268.445 3.168 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(-n2cccn2)cc1 ZINC000489409034 332050648 /nfs/dbraw/zinc/05/06/48/332050648.db2.gz XBXHNMVOANITCY-INIZCTEOSA-N 0 3 267.376 3.413 20 30 CGEDHN C=C[C@@H]1CCCCN1CCOc1ccc(OC)cc1 ZINC000489502516 332057111 /nfs/dbraw/zinc/05/71/11/332057111.db2.gz YUZJQFZVCPIMBL-CQSZACIVSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC000172173393 335096478 /nfs/dbraw/zinc/09/64/78/335096478.db2.gz FRVFRTGLHFJBJD-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccc(/C=C\C)cc2)CC1 ZINC000491661554 332271369 /nfs/dbraw/zinc/27/13/69/332271369.db2.gz PBVFEHYYMVFBMG-HYXAFXHYSA-N 0 3 282.387 3.003 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1ccccc1C)C1CCCC1 ZINC000494813715 332486638 /nfs/dbraw/zinc/48/66/38/332486638.db2.gz QSDNHOQDLRIOMJ-GOSISDBHSA-N 0 3 286.419 3.118 20 30 CGEDHN C=CCN1CC[C@H](NC2(c3ccccc3)CCCCC2)C1=O ZINC000499563087 332588561 /nfs/dbraw/zinc/58/85/61/332588561.db2.gz KREXPAXPGZWRPW-KRWDZBQOSA-N 0 3 298.430 3.223 20 30 CGEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000248708982 334314346 /nfs/dbraw/zinc/31/43/46/334314346.db2.gz IOWSEWGVGARMGL-VNHYZAJKSA-N 0 3 287.363 3.055 20 30 CGEDHN C[C@@H]1CSC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000512204513 332957678 /nfs/dbraw/zinc/95/76/78/332957678.db2.gz URRKYUZUOFUPAV-RISCZKNCSA-N 0 3 265.809 3.033 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000309950178 333051768 /nfs/dbraw/zinc/05/17/68/333051768.db2.gz FRCOQDWMNDKYAO-NSHDSACASA-N 0 3 276.808 3.022 20 30 CGEDHN C=CCCCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000517682655 333105665 /nfs/dbraw/zinc/10/56/65/333105665.db2.gz WNSVQISPAKZQCP-CYBMUJFWSA-N 0 3 279.346 3.368 20 30 CGEDHN COc1ccc([C@H](C)[C@H](C)NCC2(C#N)CC2)cc1 ZINC000522034565 333231183 /nfs/dbraw/zinc/23/11/83/333231183.db2.gz FDICONMIULXAQX-OLZOCXBDSA-N 0 3 258.365 3.081 20 30 CGEDHN C=C(C)COCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000194113905 333265859 /nfs/dbraw/zinc/26/58/59/333265859.db2.gz BBCFKMMGKIYEGD-HNNXBMFYSA-N 0 3 283.799 3.210 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2c(OC)cccc21 ZINC000194938584 333279778 /nfs/dbraw/zinc/27/97/78/333279778.db2.gz COXOUICMKBQSQO-INIZCTEOSA-N 0 3 275.392 3.255 20 30 CGEDHN Cc1ccc(OCCCNCc2ccc(C#N)o2)cc1 ZINC000174329287 335152765 /nfs/dbraw/zinc/15/27/65/335152765.db2.gz FQDUWNGPZCUFMV-UHFFFAOYSA-N 0 3 270.332 3.018 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cnc(C2CCCCC2)s1 ZINC000539224931 333662019 /nfs/dbraw/zinc/66/20/19/333662019.db2.gz KNTHQSZIGGBDQZ-CYBMUJFWSA-N 0 3 294.464 3.465 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@H](C)C1)C(C)C ZINC000539560429 333678820 /nfs/dbraw/zinc/67/88/20/333678820.db2.gz JHQFLULEUVFDNO-YESZJQIVSA-N 0 3 292.467 3.237 20 30 CGEDHN C=C[C@H](CC(=O)N(CCC)CCN(C)C)c1ccccc1 ZINC000130246583 333826040 /nfs/dbraw/zinc/82/60/40/333826040.db2.gz JQSYLICSPLCNRT-MRXNPFEDSA-N 0 3 288.435 3.147 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000174653677 335162529 /nfs/dbraw/zinc/16/25/29/335162529.db2.gz KLDXRCYKVYLQKZ-JTQLQIEISA-N 0 3 276.286 3.323 20 30 CGEDHN CN(CCCSCC#N)Cc1ccc(Cl)cc1 ZINC000074981456 334021809 /nfs/dbraw/zinc/02/18/09/334021809.db2.gz QNQCCIGSLZRECD-UHFFFAOYSA-N 0 3 268.813 3.419 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)o2)C1(CC)CC ZINC000175037579 335171726 /nfs/dbraw/zinc/17/17/26/335171726.db2.gz FRDLSFFQCWPOJW-CABCVRRESA-N 0 3 276.380 3.225 20 30 CGEDHN C=C(C)COCCNCc1cc(F)cc2cccnc21 ZINC000134502329 334092217 /nfs/dbraw/zinc/09/22/17/334092217.db2.gz GHCFDZXZTLSJNS-UHFFFAOYSA-N 0 3 274.339 3.056 20 30 CGEDHN C=C(C)COCCNCc1cc2cc(F)ccc2o1 ZINC000134504048 334092575 /nfs/dbraw/zinc/09/25/75/334092575.db2.gz LRIXYZCNQXAQHX-UHFFFAOYSA-N 0 3 263.312 3.254 20 30 CGEDHN C=C(C)CN(CCCN1CCCC1=O)Cc1ccccc1 ZINC000548754275 334170033 /nfs/dbraw/zinc/17/00/33/334170033.db2.gz NYJQLHLTBBWALK-UHFFFAOYSA-N 0 3 286.419 3.077 20 30 CGEDHN CC(C)c1nc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)no1 ZINC000549401669 334192431 /nfs/dbraw/zinc/19/24/31/334192431.db2.gz SHOWQJGDWQPROC-TZMCWYRMSA-N 0 3 288.395 3.065 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090450919 334361206 /nfs/dbraw/zinc/36/12/06/334361206.db2.gz FVPLOUNMJQCYFD-ZDUSSCGKSA-N 0 3 278.352 3.147 20 30 CGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(O)c1 ZINC000343749189 335218749 /nfs/dbraw/zinc/21/87/49/335218749.db2.gz JCAVWIBLHZYXGT-CYBMUJFWSA-N 0 3 266.344 3.309 20 30 CGEDHN COC(=O)c1cccc(CN[C@H]2CC3CCC2CC3)c1C#N ZINC000576574217 335220198 /nfs/dbraw/zinc/22/01/98/335220198.db2.gz DIICJLQHOBEUEH-FVKWTLKZSA-N 0 3 298.386 3.013 20 30 CGEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576758716 335244390 /nfs/dbraw/zinc/24/43/90/335244390.db2.gz DUPGLAZBFFGRHT-IUODEOHRSA-N 0 3 287.363 3.477 20 30 CGEDHN C[C@H]1Cc2ccccc2N1CCNCc1ccc(C#N)s1 ZINC000176957319 335344781 /nfs/dbraw/zinc/34/47/81/335344781.db2.gz UYGMCMKSONWNJE-ZDUSSCGKSA-N 0 3 297.427 3.161 20 30 CGEDHN Cc1ccc([C@@H](CNCc2cc(C#N)cs2)N(C)C)cc1 ZINC000177692473 335379176 /nfs/dbraw/zinc/37/91/76/335379176.db2.gz GWDXZQKUZHKWRS-QGZVFWFLSA-N 0 3 299.443 3.321 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)cs2)C12CCC2 ZINC000177705957 335380064 /nfs/dbraw/zinc/38/00/64/335380064.db2.gz KCBIZPXSGBNFRA-KBPBESRZSA-N 0 3 276.405 3.057 20 30 CGEDHN CC(C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000577653849 335386361 /nfs/dbraw/zinc/38/63/61/335386361.db2.gz VURRZJXLZOFKNM-HNKHHVNMSA-N 0 3 268.360 3.083 20 30 CGEDHN N#Cc1ccc(OCCNC2(c3cccc(F)c3)CC2)cc1 ZINC000179693340 335508479 /nfs/dbraw/zinc/50/84/79/335508479.db2.gz RQWOWSFJOXJMMS-UHFFFAOYSA-N 0 3 296.345 3.355 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1nccc2ccccc21 ZINC000580920772 335983944 /nfs/dbraw/zinc/98/39/44/335983944.db2.gz NGDACBRBCIJTQF-AWEZNQCLSA-N 0 3 270.376 3.478 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000347080295 534281872 /nfs/dbraw/zinc/28/18/72/534281872.db2.gz WPCNVVKUSKHFSO-CYBMUJFWSA-N 0 3 278.355 3.490 20 30 CGEDHN C=CCCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184593997 518702390 /nfs/dbraw/zinc/70/23/90/518702390.db2.gz NGYMAWNDJYYZTN-INIZCTEOSA-N 0 3 273.355 3.204 20 30 CGEDHN CC(C)(C)[C@@H](CCO)NCC#Cc1ccc(Cl)cc1 ZINC000183667431 518916699 /nfs/dbraw/zinc/91/66/99/518916699.db2.gz KWJVVENSMOFGDT-OAHLLOKOSA-N 0 3 279.811 3.078 20 30 CGEDHN CC(C)(C)[C@H](CCO)NCC#Cc1cccc(Cl)c1 ZINC000183674090 518956251 /nfs/dbraw/zinc/95/62/51/518956251.db2.gz KPRYKAPTGHESSE-HNNXBMFYSA-N 0 3 279.811 3.078 20 30 CGEDHN COc1ccc(CNCCOC2CCCCC2)cc1C#N ZINC000087824322 524070975 /nfs/dbraw/zinc/07/09/75/524070975.db2.gz MFEUCEKFZJXYHC-UHFFFAOYSA-N 0 3 288.391 3.006 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cccc(OC)n1 ZINC000353298241 526313483 /nfs/dbraw/zinc/31/34/83/526313483.db2.gz VELBKFAYZVTKLY-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN C=CCN1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301411172 526454190 /nfs/dbraw/zinc/45/41/90/526454190.db2.gz YEKDEQOXOJBNKH-UHFFFAOYSA-N 0 3 295.770 3.311 20 30 CGEDHN C=C(C)CN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347380518 526570132 /nfs/dbraw/zinc/57/01/32/526570132.db2.gz SFNIWMXAURZKNB-KBPBESRZSA-N 0 3 263.406 3.063 20 30 CGEDHN C#CCCOc1ccc(CNCc2ccc(OC)cc2)cc1 ZINC000113311539 526744787 /nfs/dbraw/zinc/74/47/87/526744787.db2.gz VWZCEELOAWVYQK-UHFFFAOYSA-N 0 3 295.382 3.387 20 30 CGEDHN C=CCOCCCN(C)Cc1ccc(Cl)s1 ZINC000347970126 526748305 /nfs/dbraw/zinc/74/83/05/526748305.db2.gz LYBLQFRGMAUYBR-UHFFFAOYSA-N 0 3 259.802 3.426 20 30 CGEDHN C=CCOCCCN[C@@](C)(CC)c1nc(C)cs1 ZINC000348057875 526760512 /nfs/dbraw/zinc/76/05/12/526760512.db2.gz UODJPYJETBSGNL-AWEZNQCLSA-N 0 3 268.426 3.259 20 30 CGEDHN C=C(CC)CN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000347635025 526860188 /nfs/dbraw/zinc/86/01/88/526860188.db2.gz GWRKAEQLRDOUHC-AWEZNQCLSA-N 0 3 253.773 3.319 20 30 CGEDHN C=C(CC)CN[C@H](CCO)c1ccc(Cl)cc1 ZINC000347635026 526861969 /nfs/dbraw/zinc/86/19/69/526861969.db2.gz GWRKAEQLRDOUHC-CQSZACIVSA-N 0 3 253.773 3.319 20 30 CGEDHN C=CCOc1cccc(CN2CCC(C)(COC)CC2)c1 ZINC000354734391 526898056 /nfs/dbraw/zinc/89/80/56/526898056.db2.gz FGNCSUCGROXGEN-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(C)(COC)CC1 ZINC000354778708 526930670 /nfs/dbraw/zinc/93/06/70/526930670.db2.gz FABRSZXTFPMYLM-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@H]1SC ZINC000344958865 526950161 /nfs/dbraw/zinc/95/01/61/526950161.db2.gz VZMUYBHXVWDNTD-UKRRQHHQSA-N 0 3 263.406 3.235 20 30 CGEDHN C=CCCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113094031 527066582 /nfs/dbraw/zinc/06/65/82/527066582.db2.gz NNFOHHLBNOQDLT-UHFFFAOYSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2ccc(F)cc21 ZINC000344334660 527369560 /nfs/dbraw/zinc/36/95/60/527369560.db2.gz SVMDYRYVEQXJGF-INIZCTEOSA-N 0 3 263.356 3.385 20 30 CGEDHN C=CCC[C@@H](NCCOC(F)(F)F)c1ccco1 ZINC000353685996 527446934 /nfs/dbraw/zinc/44/69/34/527446934.db2.gz WHCMLOHYZXSUBI-SNVBAGLBSA-N 0 3 263.259 3.413 20 30 CGEDHN C=CCC[C@@H](NCC1(CCO)CCC1)c1ccco1 ZINC000353633183 527448173 /nfs/dbraw/zinc/44/81/73/527448173.db2.gz RXEJIIJTNSQCIG-CQSZACIVSA-N 0 3 263.381 3.429 20 30 CGEDHN C=CCC[C@H](N[C@@H](C)CC[S@](C)=O)c1ccco1 ZINC000353633145 527486625 /nfs/dbraw/zinc/48/66/25/527486625.db2.gz RQPAQZWHDAHWQK-LXIYXOSZSA-N 0 3 269.410 3.034 20 30 CGEDHN C=C[C@H](C)NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000344788934 527569677 /nfs/dbraw/zinc/56/96/77/527569677.db2.gz LLXUOPSYIRFSJB-AWEZNQCLSA-N 0 3 298.386 3.333 20 30 CGEDHN CC(C)CN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437424386 527914545 /nfs/dbraw/zinc/91/45/45/527914545.db2.gz JEPZHAJJCVFSEH-UHFFFAOYSA-N 0 3 268.307 3.247 20 30 CGEDHN CCOC1CC(CN(CCC#N)CC(CC)CC)C1 ZINC000352023814 528496470 /nfs/dbraw/zinc/49/64/70/528496470.db2.gz ASYLWYCOBAIBTM-UHFFFAOYSA-N 0 3 266.429 3.453 20 30 CGEDHN CCC[C@@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000344546313 528987513 /nfs/dbraw/zinc/98/75/13/528987513.db2.gz ICNCJNMOEPBJJA-NOZJJQNGSA-N 0 3 266.291 3.082 20 30 CGEDHN C=CCN1CC[C@H](N2CCCC[C@@H]2c2ccccc2)C1=O ZINC000337181620 571822945 /nfs/dbraw/zinc/82/29/45/571822945.db2.gz BADIJCYNLCAJFE-SJORKVTESA-N 0 3 284.403 3.001 20 30 CGEDHN CCCCCCCN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000740874624 572463603 /nfs/dbraw/zinc/46/36/03/572463603.db2.gz WIINCROMTNWESZ-INIZCTEOSA-N 0 3 292.423 3.331 20 30 CGEDHN CCCCCCCN1CCN(Cc2cscn2)CC1 ZINC000740875197 572463872 /nfs/dbraw/zinc/46/38/72/572463872.db2.gz KPNIDURHSVBTRH-UHFFFAOYSA-N 0 3 281.469 3.231 20 30 CGEDHN CCCCCCCN(C)Cc1c(C)nn(C)c1C ZINC000740876675 572465070 /nfs/dbraw/zinc/46/50/70/572465070.db2.gz YEHUOVREHIJNIL-UHFFFAOYSA-N 0 3 251.418 3.439 20 30 CGEDHN C=C(Cl)CN1CCCN(Cc2ccccc2)C[C@H]1C ZINC000741054599 572479231 /nfs/dbraw/zinc/47/92/31/572479231.db2.gz QOVJMKUEYZGBMK-OAHLLOKOSA-N 0 3 278.827 3.335 20 30 CGEDHN C#CCOc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000733322801 572555293 /nfs/dbraw/zinc/55/52/93/572555293.db2.gz UUBOLXNWFMNMTK-LJQANCHMSA-N 0 3 277.367 3.476 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000733324202 572555670 /nfs/dbraw/zinc/55/56/70/572555670.db2.gz MUULNZUXNWPJTH-HNNXBMFYSA-N 0 3 290.366 3.421 20 30 CGEDHN CCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000726859942 572602912 /nfs/dbraw/zinc/60/29/12/572602912.db2.gz PTTGXIBSKHQGML-JTQLQIEISA-N 0 3 256.305 3.440 20 30 CGEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1C#N ZINC000743495280 572666691 /nfs/dbraw/zinc/66/66/91/572666691.db2.gz BYNVRDSRNGEXGT-CYBMUJFWSA-N 0 3 291.354 3.289 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(C#N)c1 ZINC000743495723 572666895 /nfs/dbraw/zinc/66/68/95/572666895.db2.gz IHYPNTWGPJPMAE-ZDUSSCGKSA-N 0 3 278.355 3.344 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccco2)c1 ZINC000744027839 572697863 /nfs/dbraw/zinc/69/78/63/572697863.db2.gz BEQWDZBOKQZQIB-OCCSQVGLSA-N 0 3 296.326 3.039 20 30 CGEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000744028069 572698370 /nfs/dbraw/zinc/69/83/70/572698370.db2.gz FLFWSUDZKHZHLW-OCCSQVGLSA-N 0 3 296.326 3.039 20 30 CGEDHN C=C(Cl)COC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000735940661 572750909 /nfs/dbraw/zinc/75/09/09/572750909.db2.gz SUOQKTJXLNAXCN-HNNXBMFYSA-N 0 3 293.794 3.194 20 30 CGEDHN CC[C@H]1C[C@H](C)CN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744443224 572754104 /nfs/dbraw/zinc/75/41/04/572754104.db2.gz IJQDBRFQDXDFIQ-YOEHRIQHSA-N 0 3 294.402 3.500 20 30 CGEDHN N=C(N)N=NC1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000747624613 572937620 /nfs/dbraw/zinc/93/76/20/572937620.db2.gz OSQIVXSTNFYEDU-LLVKDONJSA-N 0 3 298.312 3.202 20 30 CGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCCCCCC1 ZINC000748806391 572984881 /nfs/dbraw/zinc/98/48/81/572984881.db2.gz YPYZQFGDXQQAGK-KRWDZBQOSA-N 0 3 293.455 3.086 20 30 CGEDHN CC(C)CON=Cc1ccc(OCCN2CCCC2)cc1 ZINC000749631997 573025516 /nfs/dbraw/zinc/02/55/16/573025516.db2.gz UJWNDSBVGULXER-UHFFFAOYSA-N 0 3 290.407 3.168 20 30 CGEDHN C[C@@H]1CC(=Nn2cnnc2)C[C@@H](c2ccccc2)C1 ZINC000749849818 573047107 /nfs/dbraw/zinc/04/71/07/573047107.db2.gz GEGPNXMJOBHNMX-JSGCOSHPSA-N 0 3 254.337 3.086 20 30 CGEDHN C=C(CC)C[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823878010 608307644 /nfs/dbraw/zinc/30/76/44/608307644.db2.gz MBTNIDSPNSKPIG-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=C(CC)C[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823878010 608307646 /nfs/dbraw/zinc/30/76/46/608307646.db2.gz MBTNIDSPNSKPIG-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=C(CC)C[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823878010 608307648 /nfs/dbraw/zinc/30/76/48/608307648.db2.gz MBTNIDSPNSKPIG-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=C(CC)C[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823878010 608307642 /nfs/dbraw/zinc/30/76/42/608307642.db2.gz MBTNIDSPNSKPIG-UHFFFAOYSA-N 0 3 285.395 3.045 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC000970946587 613301663 /nfs/dbraw/zinc/30/16/63/613301663.db2.gz CYNMMEOPSOAWCV-AWEZNQCLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977321789 613342345 /nfs/dbraw/zinc/34/23/45/613342345.db2.gz SRBROCSQZHBJCP-AWEZNQCLSA-N 0 3 292.448 3.073 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000963255702 613374464 /nfs/dbraw/zinc/37/44/64/613374464.db2.gz ZTMZKBMCTKLXIO-CABCVRRESA-N 0 3 298.858 3.098 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC000968804449 613685387 /nfs/dbraw/zinc/68/53/87/613685387.db2.gz UWVFADVQLYMDIW-AWEZNQCLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC000968914130 613687005 /nfs/dbraw/zinc/68/70/05/613687005.db2.gz OSDIHTBNSGZSSL-AWEZNQCLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000940886788 613746379 /nfs/dbraw/zinc/74/63/79/613746379.db2.gz SIUDDXOCTPSDEU-RBSFLKMASA-N 0 3 292.467 3.071 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)[C@@H](C)C1 ZINC000943290672 613750380 /nfs/dbraw/zinc/75/03/80/613750380.db2.gz YRLQOIVSPDTXKI-CMPLNLGQSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@H](C)C1 ZINC000945942697 613798701 /nfs/dbraw/zinc/79/87/01/613798701.db2.gz KIUOYXVVVZSCFI-CJNGLKHVSA-N 0 3 298.386 3.059 20 30 CGEDHN CN(CCSC(F)(F)F)Cc1cccc(C#N)c1 ZINC000127614809 617832882 /nfs/dbraw/zinc/83/28/82/617832882.db2.gz DAPBKINHWFDLOM-UHFFFAOYSA-N 0 3 274.311 3.243 20 30 CGEDHN C#C[C@H](N[C@@H]1CCC[C@@H](OC)C1)c1ccc(F)cc1 ZINC000812793599 617855817 /nfs/dbraw/zinc/85/58/17/617855817.db2.gz ZMIGWPOESOSMRU-OAGGEKHMSA-N 0 3 261.340 3.047 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(CC)cc2)CCC1 ZINC000933301452 618196446 /nfs/dbraw/zinc/19/64/46/618196446.db2.gz GMINQCNGWWZVAO-AWEZNQCLSA-N 0 3 284.403 3.112 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2c(C)cccc2C)CCC1 ZINC000933302119 618197212 /nfs/dbraw/zinc/19/72/12/618197212.db2.gz SGLCOZCYNXZDNT-HNNXBMFYSA-N 0 3 284.403 3.166 20 30 CGEDHN C#CCC1(N[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)CCC1 ZINC000933302828 618197219 /nfs/dbraw/zinc/19/72/19/618197219.db2.gz IUUJCYZFFLLVFD-INIZCTEOSA-N 0 3 298.430 3.474 20 30 CGEDHN COCCN(Cc1csc(C#N)c1)C1CCCC1 ZINC000891678765 618245973 /nfs/dbraw/zinc/24/59/73/618245973.db2.gz LPHARNMNPLFVBI-UHFFFAOYSA-N 0 3 264.394 3.011 20 30 CGEDHN N#Cc1cc(Cl)ccc1CN[C@@H](CCO)C1CCCC1 ZINC000934009984 618419770 /nfs/dbraw/zinc/41/97/70/618419770.db2.gz QTLHAMNQOLCXHC-INIZCTEOSA-N 0 3 292.810 3.242 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001022591216 618515794 /nfs/dbraw/zinc/51/57/94/618515794.db2.gz SDKSTMTTYVIVQJ-TXEJJXNPSA-N 0 3 296.798 3.006 20 30 CGEDHN CSCC[C@@H](C)N(C)Cc1csc(C#N)c1 ZINC000892083491 618522984 /nfs/dbraw/zinc/52/29/84/618522984.db2.gz JOUNPRAQIZWRHE-SNVBAGLBSA-N 0 3 254.424 3.193 20 30 CGEDHN CN(C)[C@@H](C/N=C\c1ccccc1O)c1ccccc1 ZINC000255562981 618683445 /nfs/dbraw/zinc/68/34/45/618683445.db2.gz VOJYJCWUEVNDCW-JIHKLPAASA-N 0 3 268.360 3.114 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(-c2ccccc2)no1 ZINC000926544714 618732584 /nfs/dbraw/zinc/73/25/84/618732584.db2.gz DPUHEHZMXMRRJB-UKRRQHHQSA-N 0 3 286.375 3.319 20 30 CGEDHN CCN(Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCCOC1 ZINC000930851996 619083658 /nfs/dbraw/zinc/08/36/58/619083658.db2.gz FBZUATVYTVRCPJ-OAHLLOKOSA-N 0 3 278.783 3.213 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925697517 619149400 /nfs/dbraw/zinc/14/94/00/619149400.db2.gz PAPUDYCCCWPHFR-LPHOPBHVSA-N 0 3 296.414 3.254 20 30 CGEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)Cc2c[nH]nc21 ZINC000931464954 619172392 /nfs/dbraw/zinc/17/23/92/619172392.db2.gz CMEBCYMWDWBHKI-ZDUSSCGKSA-N 0 3 272.396 3.193 20 30 CGEDHN CN(C)[C@@H](C/N=C/c1ccccc1O)c1ccccc1 ZINC000072658200 625326929 /nfs/dbraw/zinc/32/69/29/625326929.db2.gz VOJYJCWUEVNDCW-IQFISFIMSA-N 0 3 268.360 3.114 20 30 CGEDHN N#Cc1ccc(CNC2CC(c3ccc(F)cc3F)C2)nc1 ZINC000893865223 619324787 /nfs/dbraw/zinc/32/47/87/619324787.db2.gz CAPAOFZFBMPYCY-UHFFFAOYSA-N 0 3 299.324 3.267 20 30 CGEDHN C(#Cc1ccccc1)CNCC1(c2ccccn2)CCC1 ZINC000894426339 619531456 /nfs/dbraw/zinc/53/14/56/619531456.db2.gz MQBMENHNRJENPB-UHFFFAOYSA-N 0 3 276.383 3.145 20 30 CGEDHN C#CCCCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183687600 619725744 /nfs/dbraw/zinc/72/57/44/619725744.db2.gz WIAHPWHFXSNOHK-KRWDZBQOSA-N 0 3 268.335 3.313 20 30 CGEDHN COc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000237222411 619730621 /nfs/dbraw/zinc/73/06/21/619730621.db2.gz WJQKCTIRZKKHSA-AWEZNQCLSA-N 0 3 296.370 3.276 20 30 CGEDHN C=CCCCCC[C@@H](C)NCc1nnc2n1CCCC2 ZINC000793555784 619731759 /nfs/dbraw/zinc/73/17/59/619731759.db2.gz VKOCRSPMVALECP-CQSZACIVSA-N 0 3 276.428 3.229 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895563262 619850585 /nfs/dbraw/zinc/85/05/85/619850585.db2.gz YIJGJOGYXBVNOF-JTQLQIEISA-N 0 3 288.338 3.093 20 30 CGEDHN C#CCCCCCCNCc1nc2c(s1)CCC2 ZINC000896288127 619987940 /nfs/dbraw/zinc/98/79/40/619987940.db2.gz VNTNGGZLOZDUGB-UHFFFAOYSA-N 0 3 262.422 3.305 20 30 CGEDHN COc1cc(CN[C@@H](c2ccncc2)C2CC2)ccc1C#N ZINC000898319537 620505574 /nfs/dbraw/zinc/50/55/74/620505574.db2.gz HERMFSQWLJUWKD-GOSISDBHSA-N 0 3 293.370 3.203 20 30 CGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001014524258 620540220 /nfs/dbraw/zinc/54/02/20/620540220.db2.gz RLAMPQXDJVKUNO-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN Cc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1C#N ZINC000926959709 620555453 /nfs/dbraw/zinc/55/54/53/620555453.db2.gz BVXRKPKYPCAYBB-QGZVFWFLSA-N 0 3 282.391 3.087 20 30 CGEDHN Cc1ccc(CN[C@H](C)c2cccc(CO)c2)cc1C#N ZINC000926967171 620556773 /nfs/dbraw/zinc/55/67/73/620556773.db2.gz PSSNYIQUTDADGO-CQSZACIVSA-N 0 3 280.371 3.210 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCc3cccnc32)C1 ZINC000927064493 620569364 /nfs/dbraw/zinc/56/93/64/620569364.db2.gz VTIMDYLILFJMSG-YUELXQCFSA-N 0 3 255.365 3.131 20 30 CGEDHN C[C@@H](NC[C@H]1CCC2(CCCCC2)O1)c1cc(C#N)ccn1 ZINC000902969346 621502664 /nfs/dbraw/zinc/50/26/64/621502664.db2.gz DKWLZXCSELEGOT-GDBMZVCRSA-N 0 3 299.418 3.486 20 30 CGEDHN C=CCC[C@@H](NCc1nccn1CC)[C@@]1(C)CCCCO1 ZINC000903006120 621528644 /nfs/dbraw/zinc/52/86/44/621528644.db2.gz DLOIGJROYPUOQD-NVXWUHKLSA-N 0 3 291.439 3.287 20 30 CGEDHN C[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1cc(C#N)ccn1 ZINC000903008052 621531917 /nfs/dbraw/zinc/53/19/17/621531917.db2.gz LCKDKSGVONZIMK-BXKDBHETSA-N 0 3 284.190 3.188 20 30 CGEDHN CO[C@](C)(CN[C@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000903008245 621531965 /nfs/dbraw/zinc/53/19/65/621531965.db2.gz MUWRTAVZQUBQNZ-RDTXWAMCSA-N 0 3 295.386 3.166 20 30 CGEDHN C[C@@H](NCC(C)(C)C(C)(F)F)c1cc(C#N)ccn1 ZINC000903080742 621561835 /nfs/dbraw/zinc/56/18/35/621561835.db2.gz LIXKHDSUYSLGMQ-SNVBAGLBSA-N 0 3 267.323 3.285 20 30 CGEDHN COC1([C@@H](C)NCC2(C#N)CCCC2)CCCC1 ZINC000903109552 621583028 /nfs/dbraw/zinc/58/30/28/621583028.db2.gz REPSXDSUVCORMN-CYBMUJFWSA-N 0 3 250.386 3.008 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cn(C)nc2Br)C1 ZINC000903187359 621627107 /nfs/dbraw/zinc/62/71/07/621627107.db2.gz BHAFOYPHHHVGMD-ZYHUDNBSSA-N 0 3 298.228 3.017 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nc(CN(C)C)cs2)C1 ZINC000903220954 621634280 /nfs/dbraw/zinc/63/42/80/621634280.db2.gz RSVDSYYUFDVRKE-STQMWFEESA-N 0 3 279.453 3.039 20 30 CGEDHN CC1(C)[C@H](N)c2ccccc2N1C(=O)c1cscc1C#N ZINC000904940837 622025023 /nfs/dbraw/zinc/02/50/23/622025023.db2.gz UKDRVPGUTNKZQU-CQSZACIVSA-N 0 3 297.383 3.059 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccccc1)C(C)C ZINC000911959161 622580939 /nfs/dbraw/zinc/58/09/39/622580939.db2.gz CFZAPQSNMFCNIN-MRXNPFEDSA-N 0 3 274.408 3.107 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)c1cccc(C)c1 ZINC000912245609 622624984 /nfs/dbraw/zinc/62/49/84/622624984.db2.gz ZSYDXLGRUAWAOK-OAHLLOKOSA-N 0 3 260.381 3.032 20 30 CGEDHN N#CC(C(=O)C=CSCc1ccco1)c1ccccn1 ZINC000150927838 622695749 /nfs/dbraw/zinc/69/57/49/622695749.db2.gz NZIQCHBMIPOVNO-YSKGHYERSA-N 0 3 284.340 3.298 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000229892108 623174843 /nfs/dbraw/zinc/17/48/43/623174843.db2.gz HIRLQXPQCKWPTP-JTQLQIEISA-N 0 3 259.246 3.346 20 30 CGEDHN C#CCCCNCc1c(F)ccc(Br)c1F ZINC000230312776 623233403 /nfs/dbraw/zinc/23/34/03/623233403.db2.gz BKNKSSPGWQNYEB-UHFFFAOYSA-N 0 3 288.135 3.230 20 30 CGEDHN C#CCN(CCCCCCCO)Cc1ccc(F)cc1 ZINC000173581272 623331915 /nfs/dbraw/zinc/33/19/15/623331915.db2.gz PCRMQGPPKBJLPU-UHFFFAOYSA-N 0 3 277.383 3.204 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)ccc3C)CCC[C@@H]12 ZINC000992453055 623568560 /nfs/dbraw/zinc/56/85/60/623568560.db2.gz DPMCMMJFXGBRDG-MJGOQNOKSA-N 0 3 298.430 3.216 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@H]12 ZINC000992458635 623573456 /nfs/dbraw/zinc/57/34/56/623573456.db2.gz KSQOEZDYOPGEGJ-PKOBYXMFSA-N 0 3 298.430 3.216 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(CC)cc3)CCC[C@@H]12 ZINC000992484338 623595734 /nfs/dbraw/zinc/59/57/34/623595734.db2.gz DYKQVFWWJACWQR-IEBWSBKVSA-N 0 3 298.430 3.162 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN(C)CCOCC1CC1 ZINC000929825317 623791206 /nfs/dbraw/zinc/79/12/06/623791206.db2.gz QFJPCFROSJJCSG-UHFFFAOYSA-N 0 3 272.392 3.034 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993307616 624005461 /nfs/dbraw/zinc/00/54/61/624005461.db2.gz HACJVWSAZSAYBT-UONOGXRCSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993774470 624061777 /nfs/dbraw/zinc/06/17/77/624061777.db2.gz MIIUUIBWNXYQEH-AAEUAGOBSA-N 0 3 296.798 3.092 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(C)(F)F ZINC000916844973 624217613 /nfs/dbraw/zinc/21/76/13/624217613.db2.gz LWVMVCJBZBKNQE-SNVBAGLBSA-N 0 3 291.301 3.185 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=Cc2cccc(F)c2)nc(C)n1 ZINC000916879646 624221566 /nfs/dbraw/zinc/22/15/66/624221566.db2.gz CUNUYHBVPDSSTI-XHPSBEMXSA-N 0 3 295.317 3.122 20 30 CGEDHN CCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000916901993 624221597 /nfs/dbraw/zinc/22/15/97/624221597.db2.gz AUSLINPPBCDQNR-CQSZACIVSA-N 0 3 286.375 3.259 20 30 CGEDHN C#CCN1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000917138198 624247333 /nfs/dbraw/zinc/24/73/33/624247333.db2.gz DRUBPFXBPNJIDT-SFHVURJKSA-N 0 3 299.414 3.069 20 30 CGEDHN CN1CCC[C@H]1CSc1cccc(C#N)c1Cl ZINC000920289756 624472771 /nfs/dbraw/zinc/47/27/71/624472771.db2.gz WMOLDSQMCBJGGD-NSHDSACASA-N 0 3 266.797 3.398 20 30 CGEDHN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000175106535 624614009 /nfs/dbraw/zinc/61/40/09/624614009.db2.gz MKSVYWDLEHCMIJ-CQSZACIVSA-N 0 3 296.326 3.166 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2c(c1)CCO2 ZINC000921650960 625807081 /nfs/dbraw/zinc/80/70/81/625807081.db2.gz PQCKPWPDUZLCLN-UHFFFAOYSA-N 0 3 292.382 3.400 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2=CCCCC2)C1 ZINC000998553440 625815605 /nfs/dbraw/zinc/81/56/05/625815605.db2.gz WVIUWBZHVBLZHI-UHFFFAOYSA-N 0 3 296.842 3.208 20 30 CGEDHN C=CCN1CC=C(CNC(=O)c2ccc(C(C)C)cc2)CC1 ZINC001001392720 625895681 /nfs/dbraw/zinc/89/56/81/625895681.db2.gz NBAKTIRWDFHYBG-UHFFFAOYSA-N 0 3 298.430 3.358 20 30 CGEDHN C=CCCCCCNCc1nc(Br)c[nH]1 ZINC000922227140 625986319 /nfs/dbraw/zinc/98/63/19/625986319.db2.gz UAORKIISEACHRQ-UHFFFAOYSA-N 0 3 272.190 3.008 20 30 CGEDHN Cc1cc(CO)cc(C)c1CNCc1cc(C#N)cs1 ZINC000922559939 626012562 /nfs/dbraw/zinc/01/25/62/626012562.db2.gz DXURIDKOQHTOTF-UHFFFAOYSA-N 0 3 286.400 3.019 20 30 CGEDHN C#CCC1(NCc2cnc([C@@H]3CCCO3)s2)CCC1 ZINC000922998076 626117419 /nfs/dbraw/zinc/11/74/19/626117419.db2.gz PQROUXIAIPVTGC-ZDUSSCGKSA-N 0 3 276.405 3.030 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C=C)cc2)CC1 ZINC001006038718 626144239 /nfs/dbraw/zinc/14/42/39/626144239.db2.gz LKIFRCXUSXWQOS-UHFFFAOYSA-N 0 3 284.403 3.052 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCC1 ZINC000838791713 626255631 /nfs/dbraw/zinc/25/56/31/626255631.db2.gz XREQDZLBCOWTFM-PWSUYJOCSA-N 0 3 268.316 3.440 20 30 CGEDHN C#CCC[C@@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000839042492 626308659 /nfs/dbraw/zinc/30/86/59/626308659.db2.gz WDRIGHVAEOGFEO-OAHLLOKOSA-N 0 3 285.387 3.241 20 30 CGEDHN CC(C)(C)O[C@@H]1C[C@@H](NCC2(C#N)CCC2)C1(C)C ZINC000839200547 626332206 /nfs/dbraw/zinc/33/22/06/626332206.db2.gz UYORYZONWUFPLO-CHWSQXEVSA-N 0 3 264.413 3.252 20 30 CGEDHN CCOC(=O)/C=C\CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000756094308 626676571 /nfs/dbraw/zinc/67/65/71/626676571.db2.gz RDCSTTULJFOIMJ-LMVHVUTASA-N 0 3 286.375 3.060 20 30 CGEDHN C#CC[C@H](NCc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000756995800 626745656 /nfs/dbraw/zinc/74/56/56/626745656.db2.gz AJZNWHSKSIFJJS-KRWDZBQOSA-N 0 3 275.355 3.417 20 30 CGEDHN C#CC[C@H](NCc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000756996100 626745918 /nfs/dbraw/zinc/74/59/18/626745918.db2.gz ONUXNIASGVYGTJ-IBGZPJMESA-N 0 3 292.382 3.499 20 30 CGEDHN C=CCN(Cc1ccc(OCOCC)cc1)C1CC1 ZINC000757923453 626814742 /nfs/dbraw/zinc/81/47/42/626814742.db2.gz MJFHDHKBGPBQIH-UHFFFAOYSA-N 0 3 261.365 3.210 20 30 CGEDHN C=CCN(C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759850962 626926211 /nfs/dbraw/zinc/92/62/11/626926211.db2.gz NLQDAIPGZIEERC-AWEZNQCLSA-N 0 3 269.747 3.163 20 30 CGEDHN N#CCC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759868376 626928540 /nfs/dbraw/zinc/92/85/40/626928540.db2.gz NQDVGBUIDLGOPI-OAHLLOKOSA-N 0 3 296.773 3.138 20 30 CGEDHN C[C@H]1CC(N=Nc2cccc(C(F)(F)F)c2)CN1C ZINC000761792163 627060940 /nfs/dbraw/zinc/06/09/40/627060940.db2.gz BQXHGRFVOWZSGD-VIFPVBQESA-N 0 3 271.286 3.197 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000765015905 627236607 /nfs/dbraw/zinc/23/66/07/627236607.db2.gz RSSRIOTXQDGLJT-HNNXBMFYSA-N 0 3 290.366 3.421 20 30 CGEDHN CCC#C[C@@H](C)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000765498346 627254023 /nfs/dbraw/zinc/25/40/23/627254023.db2.gz AXMFVKGBPPSUFO-WBVHZDCISA-N 0 3 259.393 3.152 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)CCc1ccccc1F ZINC000766900876 627368227 /nfs/dbraw/zinc/36/82/27/627368227.db2.gz HBZBIDVRUHBHIN-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN C#CCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000766901038 627368679 /nfs/dbraw/zinc/36/86/79/627368679.db2.gz JEOPUPVIOPJKEC-HLLBOEOZSA-N 0 3 257.377 3.250 20 30 CGEDHN C#CCN(CC)Cc1ccc(Br)c(C)c1 ZINC000769103904 627522587 /nfs/dbraw/zinc/52/25/87/627522587.db2.gz DNFCFQMAJYCHDH-UHFFFAOYSA-N 0 3 266.182 3.213 20 30 CGEDHN Cc1cccc(F)c1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000769840063 627583026 /nfs/dbraw/zinc/58/30/26/627583026.db2.gz HHMWOESGGPJMFX-NSHDSACASA-N 0 3 261.344 3.159 20 30 CGEDHN CCN(CC)CCON=C(c1ccccc1)C(F)(F)F ZINC000772301949 627782746 /nfs/dbraw/zinc/78/27/46/627782746.db2.gz YDJVJPZTSXZCJA-UHFFFAOYSA-N 0 3 288.313 3.311 20 30 CGEDHN C#CCCCCN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000773035888 627844880 /nfs/dbraw/zinc/84/48/80/627844880.db2.gz LQSAICYNNOXAQF-CQSZACIVSA-N 0 3 282.391 3.030 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775269692 628076928 /nfs/dbraw/zinc/07/69/28/628076928.db2.gz IEJALLGRUOJLCZ-HUUCEWRRSA-N 0 3 284.403 3.266 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@H](C)c2c1cccc2C)[C@H]1CCCO1 ZINC000775572364 628108797 /nfs/dbraw/zinc/10/87/97/628108797.db2.gz RDTVJAMABLPYAL-QMCVQRASSA-N 0 3 269.388 3.314 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000775571860 628108843 /nfs/dbraw/zinc/10/88/43/628108843.db2.gz LTCVBFQJYFTTSM-SNPRPXQTSA-N 0 3 289.444 3.458 20 30 CGEDHN N#CCCCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785715773 628882771 /nfs/dbraw/zinc/88/27/71/628882771.db2.gz SMMNRYOJHATXKJ-UHFFFAOYSA-N 0 3 286.375 3.133 20 30 CGEDHN C=CCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000786578744 628949083 /nfs/dbraw/zinc/94/90/83/628949083.db2.gz MPSOFRWDGUHRAO-UHFFFAOYSA-N 0 3 284.197 3.471 20 30 CGEDHN C=CCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000786578744 628949085 /nfs/dbraw/zinc/94/90/85/628949085.db2.gz MPSOFRWDGUHRAO-UHFFFAOYSA-N 0 3 284.197 3.471 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCCCC#N)c1 ZINC000805854810 629031871 /nfs/dbraw/zinc/03/18/71/629031871.db2.gz YMLFCJBKYZJWAB-OAHLLOKOSA-N 0 3 297.358 3.116 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(Br)cc1 ZINC000787998144 629038653 /nfs/dbraw/zinc/03/86/53/629038653.db2.gz XIEZEPRQEVDKRT-UHFFFAOYSA-N 0 3 266.182 3.293 20 30 CGEDHN COc1cc(N=NC2CN(C3CC3)C[C@H]2C)ccc1Cl ZINC000788468760 629056734 /nfs/dbraw/zinc/05/67/34/629056734.db2.gz XWYUWWCLYMTIGT-SNVBAGLBSA-N 0 3 293.798 3.231 20 30 CGEDHN CCC(CC)NN=Cc1ccc(N(C)C(C)C)nc1 ZINC000790164407 629187990 /nfs/dbraw/zinc/18/79/90/629187990.db2.gz PIVSGBPVIHOQPY-UHFFFAOYSA-N 0 3 262.401 3.038 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(OC2CC2)c1)C(C)(C)C ZINC000862369930 629355003 /nfs/dbraw/zinc/35/50/03/629355003.db2.gz ZMUQZUUCRLJLSO-QGZVFWFLSA-N 0 3 287.403 3.374 20 30 CGEDHN C#CCOc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000862466501 629382930 /nfs/dbraw/zinc/38/29/30/629382930.db2.gz JFWUXUBOFUNFAL-UHFFFAOYSA-N 0 3 279.330 3.320 20 30 CGEDHN C#CCN(CCCCCF)Cc1ccc(F)cc1 ZINC000792866773 629388529 /nfs/dbraw/zinc/38/85/29/629388529.db2.gz JHVSFDPRQINHEJ-UHFFFAOYSA-N 0 3 251.320 3.401 20 30 CGEDHN CCOc1ccc(C(C)=NNc2ccnc(C)c2)cc1 ZINC000863158782 629484445 /nfs/dbraw/zinc/48/44/45/629484445.db2.gz QMFIPNUMQAOKMC-UHFFFAOYSA-N 0 3 269.348 3.047 20 30 CGEDHN Fc1ccc(/C=C\C=NNCCN2CCCCC2)cc1F ZINC000794897291 629596319 /nfs/dbraw/zinc/59/63/19/629596319.db2.gz SFRPKFRQWWTSIP-MRHCBGIFSA-N 0 3 293.361 3.039 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000864346138 629815314 /nfs/dbraw/zinc/81/53/14/629815314.db2.gz ONBVKJROMNEKAN-ZNBBLSJYSA-N 0 3 292.810 3.481 20 30 CGEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000864346138 629815317 /nfs/dbraw/zinc/81/53/17/629815317.db2.gz ONBVKJROMNEKAN-ZNBBLSJYSA-N 0 3 292.810 3.481 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)c1ccccn1 ZINC000797943893 630005111 /nfs/dbraw/zinc/00/51/11/630005111.db2.gz XKJRLEFJPYACQS-QWRGUYRKSA-N 0 3 264.275 3.083 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CNCC(C)(C)C(F)(F)F ZINC000865558399 630187456 /nfs/dbraw/zinc/18/74/56/630187456.db2.gz MGQAGNDMLHAIRS-UHFFFAOYSA-N 0 3 299.340 3.302 20 30 CGEDHN CC(C)Oc1ccccc1[C@H](C)NCCO[C@@H](C)C#N ZINC000801937441 630370838 /nfs/dbraw/zinc/37/08/38/630370838.db2.gz NBCWCPGUKKBWRF-KBPBESRZSA-N 0 3 276.380 3.053 20 30 CGEDHN C#CCCN1CCN(c2ccnc3c(Cl)cccc23)CC1 ZINC000804429657 630526744 /nfs/dbraw/zinc/52/67/44/630526744.db2.gz HLKOMOMEKYGEJW-UHFFFAOYSA-N 0 3 299.805 3.034 20 30 CGEDHN C#C[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000809683433 630779152 /nfs/dbraw/zinc/77/91/52/630779152.db2.gz CZYAQAWUMVVJJY-HNNXBMFYSA-N 0 3 290.366 3.249 20 30 CGEDHN C#C[C@H](NCc1cc2cc(OC)ccc2o1)C(C)C ZINC000809684509 630779823 /nfs/dbraw/zinc/77/98/23/630779823.db2.gz DVUSQGXHJAGNMO-HNNXBMFYSA-N 0 3 257.333 3.189 20 30 CGEDHN C#C[C@H](NCc1ccccc1OCC1CC1)C(C)C ZINC000809685187 630780532 /nfs/dbraw/zinc/78/05/32/630780532.db2.gz FDOMORFYSQEDJD-INIZCTEOSA-N 0 3 257.377 3.223 20 30 CGEDHN C#C[C@H](NCc1cnc(CC(C)C)s1)C(C)C ZINC000809684622 630781035 /nfs/dbraw/zinc/78/10/35/630781035.db2.gz IRJGQKWQEBBYHA-ZDUSSCGKSA-N 0 3 250.411 3.089 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(Cl)cc2cccnc21 ZINC000809686292 630782778 /nfs/dbraw/zinc/78/27/78/630782778.db2.gz IGQVEJSCXQIJIK-AWEZNQCLSA-N 0 3 258.752 3.390 20 30 CGEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccc(OC)cc1)C(C)(C)C ZINC000809781424 630806116 /nfs/dbraw/zinc/80/61/16/630806116.db2.gz RAVLMMMRWUOFDU-MRXNPFEDSA-N 0 3 297.402 3.223 20 30 CGEDHN C=CCCCCCCCNC(=S)NC1CCN(C)CC1 ZINC000811701878 631112927 /nfs/dbraw/zinc/11/29/27/631112927.db2.gz ICUVMFGQBYPHAE-UHFFFAOYSA-N 0 3 297.512 3.071 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC2CC2)cc1 ZINC000813059513 631343935 /nfs/dbraw/zinc/34/39/35/631343935.db2.gz AXWVIIGBJZGVOL-MRXNPFEDSA-N 0 3 298.386 3.477 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(Cl)c1C ZINC000876545750 634853957 /nfs/dbraw/zinc/85/39/57/634853957.db2.gz NOQCODQYLRJAHO-SNVBAGLBSA-N 0 3 273.163 3.057 20 30 CGEDHN CCC(=NNCc1ccccc1N(C)C)c1cccc(N)c1 ZINC000814926066 631685023 /nfs/dbraw/zinc/68/50/23/631685023.db2.gz RCUNVKKWJFQQGA-UHFFFAOYSA-N 0 3 296.418 3.239 20 30 CGEDHN C[C@H](NCc1ccncc1C#N)[C@]12C[C@H]1CCCC2 ZINC000879266057 635742402 /nfs/dbraw/zinc/74/24/02/635742402.db2.gz LTXWYCZJRGFEKC-MAZHCROVSA-N 0 3 255.365 3.012 20 30 CGEDHN CC(C)c1ccc2c(c1)CCCN2C(=O)[C@H](N)CCCC#N ZINC000818060607 632282592 /nfs/dbraw/zinc/28/25/92/632282592.db2.gz RMKAQIUQDCSOBG-MRXNPFEDSA-N 0 3 299.418 3.110 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)nc1 ZINC000818355510 632312917 /nfs/dbraw/zinc/31/29/17/632312917.db2.gz GZVFJMBVPDQRKW-JFGNBEQYSA-N 0 3 294.196 3.187 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000865752647 632878206 /nfs/dbraw/zinc/87/82/06/632878206.db2.gz BSBSASVJBYEIAA-OASPWFOLSA-N 0 3 284.281 3.018 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccc(Cl)o1)C2 ZINC000865847385 632915413 /nfs/dbraw/zinc/91/54/13/632915413.db2.gz CYFUWOITCSTJOF-ZDUSSCGKSA-N 0 3 272.735 3.062 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000822469277 632935845 /nfs/dbraw/zinc/93/58/45/632935845.db2.gz UGTGPWZQCPERJE-AWEZNQCLSA-N 0 3 294.464 3.241 20 30 CGEDHN CN(CCC#N)c1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000822520630 632957717 /nfs/dbraw/zinc/95/77/17/632957717.db2.gz JKNAFMSRMYOECG-UHFFFAOYSA-N 0 3 293.361 3.123 20 30 CGEDHN C[C@H]1CN(CCCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880059602 635905835 /nfs/dbraw/zinc/90/58/35/635905835.db2.gz JOXMMGJTGRFJCH-NWDGAFQWSA-N 0 3 292.345 3.358 20 30 CGEDHN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)cc1 ZINC000866237484 633039871 /nfs/dbraw/zinc/03/98/71/633039871.db2.gz KCBCPDBMLXIAQN-SFHVURJKSA-N 0 3 278.355 3.344 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000823618187 633128285 /nfs/dbraw/zinc/12/82/85/633128285.db2.gz PGQUMQQYRZGJCN-BBRMVZONSA-N 0 3 298.386 3.037 20 30 CGEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ccncc1Cl ZINC000866617214 633216456 /nfs/dbraw/zinc/21/64/56/633216456.db2.gz ZJIZYROZWNMGPY-NHYWBVRUSA-N 0 3 297.789 3.425 20 30 CGEDHN C=CCCCC(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867990769 633285757 /nfs/dbraw/zinc/28/57/57/633285757.db2.gz ZYSWJOCITBYLAS-OAHLLOKOSA-N 0 3 258.365 3.168 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(OCOCC)cc2)c1 ZINC000825226892 633337428 /nfs/dbraw/zinc/33/74/28/633337428.db2.gz NVTZMSHNYBLZNH-UHFFFAOYSA-N 0 3 295.382 3.331 20 30 CGEDHN C#CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000830326328 633850366 /nfs/dbraw/zinc/85/03/66/633850366.db2.gz KOFKNVMOKOXIGD-GFCCVEGCSA-N 0 3 258.321 3.001 20 30 CGEDHN C#CC[C@@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000831211143 633929232 /nfs/dbraw/zinc/92/92/32/633929232.db2.gz DUSIQPLXEYDZDA-OAHLLOKOSA-N 0 3 299.418 3.015 20 30 CGEDHN N#Cc1c(F)cccc1CNCC[C@H]1CC1(Cl)Cl ZINC000873140142 634256783 /nfs/dbraw/zinc/25/67/83/634256783.db2.gz KAHHSADWNIZXSB-JTQLQIEISA-N 0 3 287.165 3.371 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834889666 634269866 /nfs/dbraw/zinc/26/98/66/634269866.db2.gz WFOWQOLNIOAXDX-LHMODEAPSA-N 0 3 277.339 3.013 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000876630031 634870776 /nfs/dbraw/zinc/87/07/76/634870776.db2.gz YLRVMLIIRYZSIN-CABCVRRESA-N 0 3 298.858 3.418 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000876907117 634926165 /nfs/dbraw/zinc/92/61/65/634926165.db2.gz BONGPJCZNNFJPT-OCCSQVGLSA-N 0 3 298.858 3.275 20 30 CGEDHN CC(C)CCCNCc1cc(C#N)cnc1Cl ZINC000876914326 634928858 /nfs/dbraw/zinc/92/88/58/634928858.db2.gz DCNBBHUMMQQHLS-UHFFFAOYSA-N 0 3 251.761 3.132 20 30 CGEDHN C=CC(C)(C)CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000877303477 635021500 /nfs/dbraw/zinc/02/15/00/635021500.db2.gz IPLSBBFMMNAXSY-HNNXBMFYSA-N 0 3 274.408 3.185 20 30 CGEDHN Cc1ccc(C[NH2+]CC2CCC(C#N)CC2)c([O-])c1 ZINC000877501689 635063674 /nfs/dbraw/zinc/06/36/74/635063674.db2.gz RWBVVGDPOZVSGN-UHFFFAOYSA-N 0 3 258.365 3.120 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000877553096 635086283 /nfs/dbraw/zinc/08/62/83/635086283.db2.gz XPFJXSUISWENFS-HOCLYGCPSA-N 0 3 297.789 3.500 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2C[C@H]2C2CCC2)c1 ZINC000877599027 635106765 /nfs/dbraw/zinc/10/67/65/635106765.db2.gz XDXSHDCVECWFCK-JSGCOSHPSA-N 0 3 275.783 3.132 20 30 CGEDHN C#CCCCCCCNCc1nn(C)cc1C(F)F ZINC000877733204 635166965 /nfs/dbraw/zinc/16/69/65/635166965.db2.gz PEDQRNHKYKXUBC-UHFFFAOYSA-N 0 3 269.339 3.031 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@H](C)C1)c1ccccc1 ZINC000877935549 635279161 /nfs/dbraw/zinc/27/91/61/635279161.db2.gz TYRJGGPRNGFPSN-QAPCUYQASA-N 0 3 284.403 3.159 20 30 CGEDHN C=CC[C@@H](C)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000877960233 635289294 /nfs/dbraw/zinc/28/92/94/635289294.db2.gz IVXBKITWOQYIDP-CQSZACIVSA-N 0 3 267.376 3.195 20 30 CGEDHN CC1(C)C[C@H](CN2CCC[C@@](C)(C#N)C2)C(C)(C)O1 ZINC000878406522 635491660 /nfs/dbraw/zinc/49/16/60/635491660.db2.gz XJYXLRQHHHJJKI-CJNGLKHVSA-N 0 3 264.413 3.206 20 30 CGEDHN C=CCN(C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878461584 635519021 /nfs/dbraw/zinc/51/90/21/635519021.db2.gz MVNWUDPVTDXUTG-LBPRGKRZSA-N 0 3 260.164 3.145 20 30 CGEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942351 635522058 /nfs/dbraw/zinc/52/20/58/635522058.db2.gz XQXKMUUFZPPVLO-ONGXEEELSA-N 0 3 280.418 3.338 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3ccsc3)CC2)nc1 ZINC000879023933 635683933 /nfs/dbraw/zinc/68/39/33/635683933.db2.gz QLHCHHVPDKQOEJ-UHFFFAOYSA-N 0 3 283.400 3.394 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879239556 635731494 /nfs/dbraw/zinc/73/14/94/635731494.db2.gz CWCCSHDMFIAYTJ-RTBURBONSA-N 0 3 292.382 3.256 20 30 CGEDHN C=CC(C)(C)CC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000879927479 635884325 /nfs/dbraw/zinc/88/43/25/635884325.db2.gz XPQWSINADHRRRL-KGLIPLIRSA-N 0 3 292.423 3.427 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000846110138 636145109 /nfs/dbraw/zinc/14/51/09/636145109.db2.gz ZJVVFEARBJXINS-MRXNPFEDSA-N 0 3 291.341 3.320 20 30 CGEDHN C[C@@H](NCC1(Br)CC1)c1cccc(C#N)c1 ZINC000846844119 636258124 /nfs/dbraw/zinc/25/81/24/636258124.db2.gz LQWDTYFRLDTWKR-SNVBAGLBSA-N 0 3 279.181 3.136 20 30 CGEDHN C#C[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000847026605 636316690 /nfs/dbraw/zinc/31/66/90/636316690.db2.gz QDNIQDOEWQHNSY-QWHCGFSZSA-N 0 3 258.321 3.001 20 30 CGEDHN C#Cc1ccc(CNCc2cc(OC)c(OC)cc2C)cc1 ZINC000883132545 636551490 /nfs/dbraw/zinc/55/14/90/636551490.db2.gz VMBQFWCHXJMEMQ-UHFFFAOYSA-N 0 3 295.382 3.283 20 30 CGEDHN Cc1ccc(N=NC2CCCN3CCCC[C@@H]23)cc1 ZINC000848398780 636566803 /nfs/dbraw/zinc/56/68/03/636566803.db2.gz FFUHSVQMRIOZDL-INIZCTEOSA-N 0 3 257.381 3.411 20 30 CGEDHN C=CCCC[C@@H](N[C@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000883203008 636581806 /nfs/dbraw/zinc/58/18/06/636581806.db2.gz QGNMVJDGFUKTRH-GDBMZVCRSA-N 0 3 295.448 3.107 20 30 CGEDHN C=CC[C@H](N[C@H](C)c1ccnc(OC)c1)c1ccncc1 ZINC000848530477 636591424 /nfs/dbraw/zinc/59/14/24/636591424.db2.gz HUEPGTIUYMXDBR-CJNGLKHVSA-N 0 3 283.375 3.453 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2C)C1 ZINC000848923300 636694411 /nfs/dbraw/zinc/69/44/11/636694411.db2.gz IMBMBYXOUZZQQX-INIZCTEOSA-N 0 3 279.387 3.026 20 30 CGEDHN C[C@@H](c1ccco1)N(C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886077381 637401424 /nfs/dbraw/zinc/40/14/24/637401424.db2.gz YTGMAZPWHNEUTB-ZFWWWQNUSA-N 0 3 288.391 3.250 20 30 CGEDHN CC(C)[C@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000886217712 637462159 /nfs/dbraw/zinc/46/21/59/637462159.db2.gz GIHQPGBVANWPPK-HNNXBMFYSA-N 0 3 285.416 3.372 20 30 CGEDHN C#CC[C@H]1CCN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886353183 637509700 /nfs/dbraw/zinc/50/97/00/637509700.db2.gz CZZFCNDJQGKYBI-GJZGRUSLSA-N 0 3 295.386 3.451 20 30 CGEDHN C#CC[C@@H]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000886355514 637510945 /nfs/dbraw/zinc/51/09/45/637510945.db2.gz JQSGDYGLRSZFGG-UONOGXRCSA-N 0 3 281.359 3.143 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000886357933 637513157 /nfs/dbraw/zinc/51/31/57/637513157.db2.gz NGMVYPBUOSSXDE-HNNXBMFYSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2nc3cc(C)ccc3s2)C1 ZINC000886366038 637515320 /nfs/dbraw/zinc/51/53/20/637515320.db2.gz VTPGLYQCLPCWPV-CYBMUJFWSA-N 0 3 270.401 3.450 20 30 CGEDHN CC(C)[C@@H](Cc1ccccc1)NCc1ccncc1C#N ZINC000886422643 637527328 /nfs/dbraw/zinc/52/73/28/637527328.db2.gz VNJAGFYSDWHHOZ-GOSISDBHSA-N 0 3 279.387 3.310 20 30 CGEDHN C#CCCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852126940 637602180 /nfs/dbraw/zinc/60/21/80/637602180.db2.gz KCMGHHHFQGWMMC-SNVBAGLBSA-N 0 3 261.756 3.232 20 30 CGEDHN C=CCN(Cc1ccc(CF)cc1)[C@@H](C)COC ZINC000852356647 637641681 /nfs/dbraw/zinc/64/16/81/637641681.db2.gz KPCZUWQRBXHNLQ-ZDUSSCGKSA-N 0 3 251.345 3.179 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2Cc3ccccc3OC3(CCC3)C2)C1 ZINC000887150124 637764173 /nfs/dbraw/zinc/76/41/73/637764173.db2.gz YBCRDNDHTOZZIX-ZBFHGGJFSA-N 0 3 282.387 3.496 20 30 CGEDHN CO[C@H](C=Nn1cnc2ccccc21)C1CCCC1 ZINC000853284121 637800417 /nfs/dbraw/zinc/80/04/17/637800417.db2.gz QGOLNMIHRNMLQG-OAHLLOKOSA-N 0 3 257.337 3.075 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853599916 637871465 /nfs/dbraw/zinc/87/14/65/637871465.db2.gz YJTXZTCSWKFFJX-OKILXGFUSA-N 0 3 298.346 3.085 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CCCCO1)c1nc2ccccc2[nH]1 ZINC000111943160 637990898 /nfs/dbraw/zinc/99/08/98/637990898.db2.gz SZLFKPQTQRZUOB-CHWSQXEVSA-N 0 3 297.358 3.088 20 30 CGEDHN Cc1ccc(CN(CCO)CCCCC2(C#N)CCC2)o1 ZINC000930294603 638272615 /nfs/dbraw/zinc/27/26/15/638272615.db2.gz BSIDPQMOMFOIQM-UHFFFAOYSA-N 0 3 290.407 3.247 20 30 CGEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)CC(C)(C)C#N ZINC000925084743 638448617 /nfs/dbraw/zinc/44/86/17/638448617.db2.gz WXPKFGSJBANNKE-RISCZKNCSA-N 0 3 272.396 3.080 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccnc(F)c1 ZINC000858179238 638651076 /nfs/dbraw/zinc/65/10/76/638651076.db2.gz JVPUPYVWJDRMAT-INIZCTEOSA-N 0 3 281.334 3.260 20 30 CGEDHN C#Cc1ccc(CN[C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858341671 638686530 /nfs/dbraw/zinc/68/65/30/638686530.db2.gz KCKOCLJDVJKVSY-LJQANCHMSA-N 0 3 292.382 3.312 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc(CO)on1 ZINC000926592028 638789430 /nfs/dbraw/zinc/78/94/30/638789430.db2.gz QWSBSKAYDXTEBR-UKRRQHHQSA-N 0 3 286.375 3.005 20 30 CGEDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(C#N)cc1 ZINC000927139313 638846814 /nfs/dbraw/zinc/84/68/14/638846814.db2.gz KYIGAPXWLWLOEU-BKTGTZMESA-N 0 3 292.382 3.257 20 30 CGEDHN N#CC1(CCCCN2CCCC[C@H]2C2OCCO2)CCC1 ZINC000929503448 638928889 /nfs/dbraw/zinc/92/88/89/638928889.db2.gz HHJKXTIUAUXPNF-HNNXBMFYSA-N 0 3 292.423 3.078 20 30 CGEDHN N#CC[C@@H](O)CN[C@H](CCc1ccccc1)c1ccccc1 ZINC000930208395 638982898 /nfs/dbraw/zinc/98/28/98/638982898.db2.gz OXUZTTJWAWCSOP-RTBURBONSA-N 0 3 294.398 3.225 20 30 CGEDHN C[C@]1(Cc2cccc(Cl)c2)CCCN1C[C@H](O)CC#N ZINC000930850493 639076450 /nfs/dbraw/zinc/07/64/50/639076450.db2.gz SCVARCAGTCKNQH-HZPDHXFCSA-N 0 3 292.810 3.012 20 30 CGEDHN C=CCN(Cc1ccccc1CF)[C@@H](C)COC ZINC000930932729 639088096 /nfs/dbraw/zinc/08/80/96/639088096.db2.gz MVKMBKZYVQZIHI-ZDUSSCGKSA-N 0 3 251.345 3.179 20 30 CGEDHN N#Cc1cncc(CN2CCCC3(CCCC3)CC2)c1 ZINC000930930819 639088194 /nfs/dbraw/zinc/08/81/94/639088194.db2.gz MRSULDJIAGGDEO-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ccn(C)n2)CC1 ZINC000932142172 639273795 /nfs/dbraw/zinc/27/37/95/639273795.db2.gz MUTGOPKFUHLDHZ-CQSZACIVSA-N 0 3 294.402 3.232 20 30 CGEDHN Cn1nccc1[C@@H]1CCCN1CCCCC(C)(C)C#N ZINC000932265704 639305132 /nfs/dbraw/zinc/30/51/32/639305132.db2.gz RPSAQYPGIXOKFT-HNNXBMFYSA-N 0 3 274.412 3.277 20 30 CGEDHN N#CC(C(=O)CC1CCC(F)(F)CC1)c1ccccn1 ZINC000860467648 639353643 /nfs/dbraw/zinc/35/36/43/639353643.db2.gz NAFWZRHKQCTESZ-GFCCVEGCSA-N 0 3 278.302 3.473 20 30 CGEDHN CCN(CCCCC1(C#N)CCC1)C(C)(C)C(=O)OC ZINC000933185974 639427618 /nfs/dbraw/zinc/42/76/18/639427618.db2.gz AEBYVRRLPWTNGV-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933242374 639430401 /nfs/dbraw/zinc/43/04/01/639430401.db2.gz WBTGDVYOVGSGRH-MFKMUULPSA-N 0 3 286.297 3.021 20 30 CGEDHN Clc1cccc(C#CCN[C@H]2CCOC23CCCC3)c1 ZINC000934385007 639600271 /nfs/dbraw/zinc/60/02/71/639600271.db2.gz UPYCXILIZOWWHQ-INIZCTEOSA-N 0 3 289.806 3.383 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cc2ccccc2c(OC)c1 ZINC000934631742 639645016 /nfs/dbraw/zinc/64/50/16/639645016.db2.gz UGKBRTIWFDOTPA-CXAGYDPISA-N 0 3 285.387 3.436 20 30 CGEDHN N#CCOc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000934694151 639658066 /nfs/dbraw/zinc/65/80/66/639658066.db2.gz XQVQAPMBWLMLRG-GOSISDBHSA-N 0 3 293.370 3.225 20 30 CGEDHN C=C(Br)CN1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934837146 639686344 /nfs/dbraw/zinc/68/63/44/639686344.db2.gz RONSZWHQIVCKKC-STQMWFEESA-N 0 3 288.229 3.034 20 30 CGEDHN C#CCN(C[C@H](O)c1ccccc1Cl)C1CCCC1 ZINC000155874423 639954207 /nfs/dbraw/zinc/95/42/07/639954207.db2.gz ZONKQGVPMAMSBJ-INIZCTEOSA-N 0 3 277.795 3.251 20 30 CGEDHN C=C(Cl)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253085978 640871177 /nfs/dbraw/zinc/87/11/77/640871177.db2.gz AEQVECBEGIYEJA-MGPQQGTHSA-N 0 3 257.805 3.145 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001008431325 640950790 /nfs/dbraw/zinc/95/07/90/640950790.db2.gz WZZQBSMNOAYGTP-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014637057 640974185 /nfs/dbraw/zinc/97/41/85/640974185.db2.gz BNOOOVHRPLNPLU-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001155580115 805595793 /nfs/dbraw/zinc/59/57/93/805595793.db2.gz RWFREVOWVUYQID-UHFFFAOYSA-N 0 3 298.789 3.041 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001156414688 805687672 /nfs/dbraw/zinc/68/76/72/805687672.db2.gz AMZKTSIUZQZRTB-OAHLLOKOSA-N 0 3 298.430 3.028 20 30 CGEDHN C[C@H](Nc1cccc(N(C)C)n1)c1cccc(C#N)c1 ZINC001156871965 805742485 /nfs/dbraw/zinc/74/24/85/805742485.db2.gz XLEKVYUTNYRDFG-LBPRGKRZSA-N 0 3 266.348 3.192 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)c(C)o1 ZINC001157807585 805876663 /nfs/dbraw/zinc/87/66/63/805876663.db2.gz WALFMTCQZXXXKG-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1CC2(CCC2)C1 ZINC001158350585 805945434 /nfs/dbraw/zinc/94/54/34/805945434.db2.gz SHXGVUNJTDMKDC-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001158512082 805962327 /nfs/dbraw/zinc/96/23/27/805962327.db2.gz BKTBTVFMRZRKRB-BRWVUGGUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CCC[C@H](C)CCC ZINC001158822894 806007744 /nfs/dbraw/zinc/00/77/44/806007744.db2.gz SJBKUXRQQCFKBB-CYBMUJFWSA-N 0 3 288.863 3.441 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1ccnc(F)c1 ZINC001252139318 806023137 /nfs/dbraw/zinc/02/31/37/806023137.db2.gz JPHYTDGKTVZANO-HNNXBMFYSA-N 0 3 282.403 3.422 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1(C)CCCCCC1 ZINC001160095867 806222034 /nfs/dbraw/zinc/22/20/34/806222034.db2.gz JHTCVKYPNINEJM-UHFFFAOYSA-N 0 3 286.847 3.195 20 30 CGEDHN C=C[C@H](O)CN1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001253578403 806264179 /nfs/dbraw/zinc/26/41/79/806264179.db2.gz ANEFNECCWPTYOK-RYUDHWBXSA-N 0 3 286.202 3.330 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001160932954 806322846 /nfs/dbraw/zinc/32/28/46/806322846.db2.gz NZZUXMROCQHHIA-WBVHZDCISA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cncc(SCCC)n1 ZINC001160956913 806327794 /nfs/dbraw/zinc/32/77/94/806327794.db2.gz ABHCZRAFFOAYPK-ZDUSSCGKSA-N 0 3 292.452 3.041 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001161035816 806340901 /nfs/dbraw/zinc/34/09/01/806340901.db2.gz BKORYASAHBZQNS-DOTOQJQBSA-N 0 3 290.451 3.137 20 30 CGEDHN Cc1cccc2c1[C@H](N[C@H]1CC[C@@H](C#N)C1)CCO2 ZINC001254636753 806467242 /nfs/dbraw/zinc/46/72/42/806467242.db2.gz ZWPYILWEHLXVGM-HZSPNIEDSA-N 0 3 256.349 3.101 20 30 CGEDHN CC(=O)C1(c2ccccc2)CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254667167 806479569 /nfs/dbraw/zinc/47/95/69/806479569.db2.gz ALIYEBMABXDVMP-FUHWJXTLSA-N 0 3 296.414 3.301 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001254672510 806481234 /nfs/dbraw/zinc/48/12/34/806481234.db2.gz CDRAZQLEJVALCU-SJORKVTESA-N 0 3 296.414 3.360 20 30 CGEDHN CC[C@H](CC#N)NC(C)(C)Cc1cccc(OC)c1 ZINC001255162022 806560284 /nfs/dbraw/zinc/56/02/84/806560284.db2.gz FGEGKKVQAZBTAS-CQSZACIVSA-N 0 3 260.381 3.298 20 30 CGEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H](C)CCCC ZINC001255328876 806615323 /nfs/dbraw/zinc/61/53/23/806615323.db2.gz NKDFQIFALRCTJW-GOEBONIOSA-N 0 3 291.439 3.101 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](CC)CCCC ZINC001162770399 806662796 /nfs/dbraw/zinc/66/27/96/806662796.db2.gz PXFBRDICTZTNPA-CQSZACIVSA-N 0 3 288.863 3.441 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](CC)CCCC ZINC001162770385 806663488 /nfs/dbraw/zinc/66/34/88/806663488.db2.gz PXFBRDICTZTNPA-AWEZNQCLSA-N 0 3 288.863 3.441 20 30 CGEDHN Cc1cc(CNCc2ccc(C#N)cc2)cc(C)c1O ZINC000037505856 798868965 /nfs/dbraw/zinc/86/89/65/798868965.db2.gz LMYQZHVRUYQCBH-UHFFFAOYSA-N 0 3 266.344 3.171 20 30 CGEDHN C=CCCCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000176586361 799101182 /nfs/dbraw/zinc/10/11/82/799101182.db2.gz XALXXSIKROCPFT-INIZCTEOSA-N 0 3 273.376 3.160 20 30 CGEDHN N#CC(C(=O)C=Cc1cccs1)c1ccccn1 ZINC000255320705 799170919 /nfs/dbraw/zinc/17/09/19/799170919.db2.gz VFUOAICPZLKSFJ-DGMVEKRQSA-N 0 3 254.314 3.033 20 30 CGEDHN CC/C=C\CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000588483046 799699674 /nfs/dbraw/zinc/69/96/74/799699674.db2.gz VDIIBXUSTCUPAV-ABMHTHFZSA-N 0 3 288.391 3.230 20 30 CGEDHN C=CCC1(NCc2cc(Cl)n(C)n2)CCCC1 ZINC000706169959 799959519 /nfs/dbraw/zinc/95/95/19/799959519.db2.gz XZVHXMGGTXHCPV-UHFFFAOYSA-N 0 3 253.777 3.052 20 30 CGEDHN C=CCCC(C)(C)CNCc1cnn(C)c1Cl ZINC000712469266 800091333 /nfs/dbraw/zinc/09/13/33/800091333.db2.gz NCGXCVMCGKWPSK-UHFFFAOYSA-N 0 3 255.793 3.156 20 30 CGEDHN C=CCCC(C)(C)CN[C@H](C)c1cn(CCC)nn1 ZINC000715853996 800149119 /nfs/dbraw/zinc/14/91/19/800149119.db2.gz KOXXQGMOQOFFNM-CYBMUJFWSA-N 0 3 264.417 3.331 20 30 CGEDHN C#CC[C@H](COC)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000716950452 800186864 /nfs/dbraw/zinc/18/68/64/800186864.db2.gz WRKWJFZULUWZTQ-LOWVWBTDSA-N 0 3 281.446 3.301 20 30 CGEDHN CCCCCCCCCN[C@@H](C)c1cn(C)nn1 ZINC000720551154 800261158 /nfs/dbraw/zinc/26/11/58/800261158.db2.gz BLGWJOVPOJWSLL-ZDUSSCGKSA-N 0 3 252.406 3.216 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000809539705 800442672 /nfs/dbraw/zinc/44/26/72/800442672.db2.gz YECXOSJIIZQOOF-KRWDZBQOSA-N 0 3 250.345 3.333 20 30 CGEDHN Cc1nc2c(o1)CCC[C@@H]2NCCc1ccc(C#N)cc1 ZINC000826779455 800477509 /nfs/dbraw/zinc/47/75/09/800477509.db2.gz JEGYCXVXYGTHAI-HNNXBMFYSA-N 0 3 281.359 3.064 20 30 CGEDHN COC(C)(C)[C@@H](C)NCc1ccc(C#N)cc1OC(F)F ZINC000932370075 800659104 /nfs/dbraw/zinc/65/91/04/800659104.db2.gz PDKSLIPTEWINOS-SNVBAGLBSA-N 0 3 298.333 3.063 20 30 CGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1sccc1C ZINC001024307497 800722761 /nfs/dbraw/zinc/72/27/61/800722761.db2.gz YMGLTDDBUQEYRR-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccoc1CCC ZINC001028262634 800837780 /nfs/dbraw/zinc/83/77/80/800837780.db2.gz YZXMOEFGLKOYKP-AWEZNQCLSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)Cl ZINC001032423560 800928029 /nfs/dbraw/zinc/92/80/29/800928029.db2.gz SCYLFYGAXMNVBS-KBPBESRZSA-N 0 3 296.842 3.016 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032562317 800930087 /nfs/dbraw/zinc/93/00/87/800930087.db2.gz PAWTVGQMYRUEKJ-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCCC1 ZINC001032761788 800936543 /nfs/dbraw/zinc/93/65/43/800936543.db2.gz HYMHEKGJQMVJHU-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033104968 800952281 /nfs/dbraw/zinc/95/22/81/800952281.db2.gz WZUPYDCDUGGOQQ-MRXNPFEDSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896010 800987670 /nfs/dbraw/zinc/98/76/70/800987670.db2.gz WIKXTWOTXDTKEP-BZUAXINKSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033989706 800993550 /nfs/dbraw/zinc/99/35/50/800993550.db2.gz OOPJXGBWXRBICW-OAHLLOKOSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034506080 801029821 /nfs/dbraw/zinc/02/98/21/801029821.db2.gz MNKWVQSJSRBSIE-KRWDZBQOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034517511 801030574 /nfs/dbraw/zinc/03/05/74/801030574.db2.gz ZSOKUDSVRLUGQB-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001034538663 801031953 /nfs/dbraw/zinc/03/19/53/801031953.db2.gz UQLZUXVODOAIAR-SJLPKXTDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001038663132 801130440 /nfs/dbraw/zinc/13/04/40/801130440.db2.gz MTFFIGCYLOEFBM-CQSZACIVSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001038880513 801134565 /nfs/dbraw/zinc/13/45/65/801134565.db2.gz GHXWCWHTWNQLGK-QGZVFWFLSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039053708 801142946 /nfs/dbraw/zinc/14/29/46/801142946.db2.gz LMHCTOOIHXEKDJ-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC1 ZINC001039422241 801160966 /nfs/dbraw/zinc/16/09/66/801160966.db2.gz PIMGQSDBDDEEKO-CVEARBPZSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)cccc3C)C[C@H]21 ZINC001042243175 801203620 /nfs/dbraw/zinc/20/36/20/801203620.db2.gz PVLIEGQXLBYBHN-DLBZAZTESA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(C)c3C)C[C@H]21 ZINC001042339475 801204933 /nfs/dbraw/zinc/20/49/33/801204933.db2.gz XCZSNYPOBDIIBC-SJLPKXTDSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccccc2CC)CC1 ZINC001045539706 801278526 /nfs/dbraw/zinc/27/85/26/801278526.db2.gz SMKDLHBDQBZAAV-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001045649855 801284691 /nfs/dbraw/zinc/28/46/91/801284691.db2.gz WWYBMENTIAFQCZ-UHFFFAOYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046413916 801310011 /nfs/dbraw/zinc/31/00/11/801310011.db2.gz CZHJQROIVIDRDN-AEFFLSMTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046797341 801325032 /nfs/dbraw/zinc/32/50/32/801325032.db2.gz YQLVTHUPLRFVMF-GOSISDBHSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)c2cccc3ccccc32)C1 ZINC001046811160 801326412 /nfs/dbraw/zinc/32/64/12/801326412.db2.gz AMEJDNWRPNTINO-IBGZPJMESA-N 0 3 294.398 3.220 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001046848530 801327226 /nfs/dbraw/zinc/32/72/26/801327226.db2.gz IGWAXCVLIAUVQA-IBGZPJMESA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001046848531 801329098 /nfs/dbraw/zinc/32/90/98/801329098.db2.gz IGWAXCVLIAUVQA-LJQANCHMSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)=C1CCCC1 ZINC001049412846 801370599 /nfs/dbraw/zinc/37/05/99/801370599.db2.gz QDBBBQXRYCNEEJ-SJORKVTESA-N 0 3 288.435 3.128 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)(C)C ZINC001049637510 801379633 /nfs/dbraw/zinc/37/96/33/801379633.db2.gz HIGOTKIDWMSHLP-CABCVRRESA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001050196835 801399940 /nfs/dbraw/zinc/39/99/40/801399940.db2.gz NFJKYGZUXHEIAD-ZWKOTPCHSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CC)cc2C1 ZINC001054283169 801483755 /nfs/dbraw/zinc/48/37/55/801483755.db2.gz OKEOHDPOSPYZET-CRAIPNDOSA-N 0 3 298.430 3.241 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2sccc2C)CC[C@H]1C ZINC001071315228 801526048 /nfs/dbraw/zinc/52/60/48/801526048.db2.gz UJUODKCIFNMEGU-KGLIPLIRSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@H]1C ZINC001072006389 801558881 /nfs/dbraw/zinc/55/88/81/801558881.db2.gz SNSMZHCLGHWBLU-QBPKDAKJSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001079751479 801647658 /nfs/dbraw/zinc/64/76/58/801647658.db2.gz XMKDGGWDXVQBGX-BRWVUGGUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001080880473 801656202 /nfs/dbraw/zinc/65/62/02/801656202.db2.gz DZUCBIRAFVUSJE-RDTXWAMCSA-N 0 3 294.398 3.076 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001081012222 801657036 /nfs/dbraw/zinc/65/70/36/801657036.db2.gz IVDIFMJEOAGUSA-RDTXWAMCSA-N 0 3 298.430 3.190 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1CC ZINC001087558410 801757296 /nfs/dbraw/zinc/75/72/96/801757296.db2.gz GFXNINPDJUBHSM-LSDHHAIUSA-N 0 3 290.407 3.001 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1CC ZINC001087621416 801759168 /nfs/dbraw/zinc/75/91/68/801759168.db2.gz UEIGAZDVEBBIOC-IXDOHACOSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCC2CC2)C1 ZINC001088284247 801780136 /nfs/dbraw/zinc/78/01/36/801780136.db2.gz YKGLWDLLPOCJDT-HNNXBMFYSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089067393 801818463 /nfs/dbraw/zinc/81/84/63/801818463.db2.gz FGHCYIKQSYVGTD-PMPSAXMXSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CC=CCC1)C2 ZINC001097129996 801899113 /nfs/dbraw/zinc/89/91/13/801899113.db2.gz BBJJGXDLTKLVEG-CBZIJGRNSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C1CCCC1)C2 ZINC001098191093 801908090 /nfs/dbraw/zinc/90/80/90/801908090.db2.gz ZXHYBTJJZJHSCE-SVGFKBNWSA-N 0 3 290.451 3.110 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC1CCC1 ZINC001099000478 801924960 /nfs/dbraw/zinc/92/49/60/801924960.db2.gz JTTPTSQAKYDSSZ-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C(/C)CC ZINC001099054350 801928561 /nfs/dbraw/zinc/92/85/61/801928561.db2.gz DLTDLKUKZVDTAQ-QKXCFHHRSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1(CC)CC1 ZINC001099219851 801933825 /nfs/dbraw/zinc/93/38/25/801933825.db2.gz FKMOQJULGAIPQZ-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C ZINC001103810367 802039001 /nfs/dbraw/zinc/03/90/01/802039001.db2.gz LSPAUPQJXIIFKS-IUODEOHRSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)(C)C)C2 ZINC001110038943 802130139 /nfs/dbraw/zinc/13/01/39/802130139.db2.gz ZXTJIDIDMQMEDT-WCVJEAGWSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001112723809 802185811 /nfs/dbraw/zinc/18/58/11/802185811.db2.gz CRIKDUZCCWKZRR-FEAKQIBJSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)CC)CCCCC1 ZINC001115413954 802261676 /nfs/dbraw/zinc/26/16/76/802261676.db2.gz CXPCAIKTUWYDBC-LBPRGKRZSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C[C@H]2C[C@H]2C)CCCCC1 ZINC001115711058 802273398 /nfs/dbraw/zinc/27/33/98/802273398.db2.gz TZYXJIJTFVULRG-TZMCWYRMSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CCC)CC1 ZINC001116191189 802308771 /nfs/dbraw/zinc/30/87/71/802308771.db2.gz QVZKOGOTDGYIMH-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccccc1C(F)(F)F)CC1CC1 ZINC001116366770 802337856 /nfs/dbraw/zinc/33/78/56/802337856.db2.gz WAAVZADFZLFEAU-OAHLLOKOSA-N 0 3 297.320 3.084 20 30 CGEDHN C=C(CC)CN(C)Cc1ccc(OCC)c(OC)c1 ZINC001116462115 802356910 /nfs/dbraw/zinc/35/69/10/802356910.db2.gz JCMWZNIVXZZFQT-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C#CCCCC(=O)N(CCC)C1CCN(CC(=C)C)CC1 ZINC001266386923 808254809 /nfs/dbraw/zinc/25/48/09/808254809.db2.gz XNYPVTPSRZERSH-UHFFFAOYSA-N 0 3 290.451 3.069 20 30 CGEDHN Cc1cncc([C@H](C)NCc2cccc(OCC#N)c2)c1 ZINC001116637268 802389498 /nfs/dbraw/zinc/38/94/98/802389498.db2.gz RNXCAYAAETURIB-AWEZNQCLSA-N 0 3 281.359 3.143 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001116643455 802391737 /nfs/dbraw/zinc/39/17/37/802391737.db2.gz PAVUMXZRLDFLEI-TZMCWYRMSA-N 0 3 251.757 3.118 20 30 CGEDHN CCCCCCCC[C@@H](CC)n1nncc1CN ZINC001172501605 808357085 /nfs/dbraw/zinc/35/70/85/808357085.db2.gz DHKVPNMQVMHAAO-CYBMUJFWSA-N 0 3 252.406 3.439 20 30 CGEDHN Cc1ccn2cc(CN(C)[C@H](C)CCCC#N)nc2c1 ZINC001172501458 808357602 /nfs/dbraw/zinc/35/76/02/808357602.db2.gz DAALPGXOVJPSRW-CQSZACIVSA-N 0 3 270.380 3.157 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CC=CCC2)c1 ZINC001122449206 802870386 /nfs/dbraw/zinc/87/03/86/802870386.db2.gz RPAZTRYGDKZGHO-GOEBONIOSA-N 0 3 296.370 3.389 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132244047 803386085 /nfs/dbraw/zinc/38/60/85/803386085.db2.gz FBYDRRUQCSDIAB-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132244912 803387172 /nfs/dbraw/zinc/38/71/72/803387172.db2.gz KXWZRXCDFMUCDL-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CC)C2)CCCC1 ZINC001132546193 803413372 /nfs/dbraw/zinc/41/33/72/803413372.db2.gz JLSHJDPUAOBTRG-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN CN(C)Cc1cccc(-c2cccc(Cl)c2C#N)n1 ZINC001244725527 803514490 /nfs/dbraw/zinc/51/44/90/803514490.db2.gz XHCCTBQQJRCSFA-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN C=CCN(Cc1cc(C(=O)OC)ccc1OC)C(C)(C)C ZINC001137251711 803703648 /nfs/dbraw/zinc/70/36/48/803703648.db2.gz QKAXTMNINIOPAX-UHFFFAOYSA-N 0 3 291.391 3.268 20 30 CGEDHN Cc1cc(CC#N)ccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245423330 803732774 /nfs/dbraw/zinc/73/27/74/803732774.db2.gz BKPRMMPLJIUDRA-GOSISDBHSA-N 0 3 296.414 3.329 20 30 CGEDHN N#CCc1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245423891 803733028 /nfs/dbraw/zinc/73/30/28/803733028.db2.gz QBDMPCDWJPRERZ-GOSISDBHSA-N 0 3 282.387 3.021 20 30 CGEDHN COc1ccc2c(CN3CCC[C@H](CC#N)C3)c[nH]c2c1 ZINC001138588026 803974119 /nfs/dbraw/zinc/97/41/19/803974119.db2.gz KFQSPTWGUQGSSU-CYBMUJFWSA-N 0 3 283.375 3.302 20 30 CGEDHN C=CCc1cccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1[O-] ZINC001138624348 803984072 /nfs/dbraw/zinc/98/40/72/803984072.db2.gz FBJUBAQUHRDUAT-HUUCEWRRSA-N 0 3 257.377 3.353 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1[O-] ZINC001138630538 803984920 /nfs/dbraw/zinc/98/49/20/803984920.db2.gz YCKWYTNWNMBEIQ-UHFFFAOYSA-N 0 3 295.382 3.385 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1[O-] ZINC001138630538 803984926 /nfs/dbraw/zinc/98/49/26/803984926.db2.gz YCKWYTNWNMBEIQ-UHFFFAOYSA-N 0 3 295.382 3.385 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1[O-] ZINC001138629252 803986827 /nfs/dbraw/zinc/98/68/27/803986827.db2.gz SFFFCULKHBKXSV-SOUVJXGZSA-N 0 3 261.340 3.053 20 30 CGEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1[O-] ZINC001138629252 803986829 /nfs/dbraw/zinc/98/68/29/803986829.db2.gz SFFFCULKHBKXSV-SOUVJXGZSA-N 0 3 261.340 3.053 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCN(CC)C[C@H]1C ZINC001138667143 804000564 /nfs/dbraw/zinc/00/05/64/804000564.db2.gz PRIUFPDZGYJQCD-MRXNPFEDSA-N 0 3 288.435 3.168 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@]2(CCCO2)C1 ZINC001139029419 804112732 /nfs/dbraw/zinc/11/27/32/804112732.db2.gz XMFIMAPPTPSWTB-KRWDZBQOSA-N 0 3 273.376 3.006 20 30 CGEDHN C=CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC001139096897 804126305 /nfs/dbraw/zinc/12/63/05/804126305.db2.gz PHBPBMGCAJZKDC-UHFFFAOYSA-N 0 3 297.406 3.187 20 30 CGEDHN C=CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC001139096897 804126311 /nfs/dbraw/zinc/12/63/11/804126311.db2.gz PHBPBMGCAJZKDC-UHFFFAOYSA-N 0 3 297.406 3.187 20 30 CGEDHN C=CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001139096897 804126318 /nfs/dbraw/zinc/12/63/18/804126318.db2.gz PHBPBMGCAJZKDC-UHFFFAOYSA-N 0 3 297.406 3.187 20 30 CGEDHN C=CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001139096897 804126322 /nfs/dbraw/zinc/12/63/22/804126322.db2.gz PHBPBMGCAJZKDC-UHFFFAOYSA-N 0 3 297.406 3.187 20 30 CGEDHN C=CCCCCN(C)Cc1c(N)c(OC)ccc1OC ZINC001139277997 804172204 /nfs/dbraw/zinc/17/22/04/804172204.db2.gz PSJXQJXMTRNANP-UHFFFAOYSA-N 0 3 278.396 3.074 20 30 CGEDHN C=C(C)CN(CC)Cc1c(C)nc2cc(C)ccn21 ZINC001139677609 804250622 /nfs/dbraw/zinc/25/06/22/804250622.db2.gz PNHMYEYBLIPDEC-UHFFFAOYSA-N 0 3 257.381 3.349 20 30 CGEDHN CCCCCCC[C@H](CC(C)C)N[C@H]1CNCCC1=O ZINC001246287117 804259963 /nfs/dbraw/zinc/25/99/63/804259963.db2.gz FJKSTDACVOTUKG-CVEARBPZSA-N 0 3 282.472 3.282 20 30 CGEDHN Cc1ccc(CN2CCC(c3ncccn3)CC2)cc1C#N ZINC001139726493 804266814 /nfs/dbraw/zinc/26/68/14/804266814.db2.gz RYCIMCMBQXXGQX-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN Cn1c(CN2CCC[C@@H](C#N)CC2)cc2ccccc21 ZINC001139871850 804303315 /nfs/dbraw/zinc/30/33/15/804303315.db2.gz UDTWJQFNWSJMAS-CQSZACIVSA-N 0 3 267.376 3.304 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H]4OCCC[C@@H]4C3)c2c1 ZINC001140112470 804381191 /nfs/dbraw/zinc/38/11/91/804381191.db2.gz VJZCPGOPAVHUEI-KDOFPFPSSA-N 0 3 295.386 3.040 20 30 CGEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)c(C)cc1O ZINC001140201639 804400540 /nfs/dbraw/zinc/40/05/40/804400540.db2.gz UISZQZCTAQDJSE-CQSZACIVSA-N 0 3 258.365 3.135 20 30 CGEDHN CCCCCCC[C@H](C)N1CCC(F)(F)[C@@H](N)C1 ZINC001246584846 804428326 /nfs/dbraw/zinc/42/83/26/804428326.db2.gz VFIGWVUJDVBQNK-STQMWFEESA-N 0 3 262.388 3.404 20 30 CGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2Cl)CC[C@@]1(C)O ZINC001140808252 804525587 /nfs/dbraw/zinc/52/55/87/804525587.db2.gz NORONLKCQBYPPI-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN CC[C@@H]1CCN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113479 804592539 /nfs/dbraw/zinc/59/25/39/804592539.db2.gz IQIQSAICJMBPHH-MRVPVSSYSA-N 0 3 269.801 3.087 20 30 CGEDHN C=CC[C@@H](C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC001247519075 804761824 /nfs/dbraw/zinc/76/18/24/804761824.db2.gz DPKZJEXNJWPFDV-GFCCVEGCSA-N 0 3 271.364 3.478 20 30 CGEDHN O=C1C=C2CN(Cc3csc(Cl)c3)CCC2S1 ZINC001142763337 804765201 /nfs/dbraw/zinc/76/52/01/804765201.db2.gz XGMGGGUBRWAQMX-JTQLQIEISA-N 0 3 285.821 3.176 20 30 CGEDHN N#Cc1ccc2c(CN3CCC4(CCOC4)CC3)c[nH]c2c1 ZINC001142911633 804781488 /nfs/dbraw/zinc/78/14/88/804781488.db2.gz CFPUXHLVHYANEM-UHFFFAOYSA-N 0 3 295.386 3.042 20 30 CGEDHN N#Cc1ccc2c(CN3CC[C@H](C(F)(F)F)C3)c[nH]c2c1 ZINC001142921926 804784621 /nfs/dbraw/zinc/78/46/21/804784621.db2.gz ZGYIYLQPLGHHHQ-LBPRGKRZSA-N 0 3 293.292 3.424 20 30 CGEDHN CC(C)N1CCN(Cc2c(Cl)cccc2C#N)C[C@@H]1C ZINC001143731723 804889945 /nfs/dbraw/zinc/88/99/45/804889945.db2.gz CNBFYOKWGHOOSV-ZDUSSCGKSA-N 0 3 291.826 3.126 20 30 CGEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)nc1 ZINC001144166850 804946880 /nfs/dbraw/zinc/94/68/80/804946880.db2.gz ZKYOGRMTELGZQE-GASCZTMLSA-N 0 3 275.355 3.040 20 30 CGEDHN C=CCN(C)Cc1n[nH]c2cc(C(F)(F)F)ccc21 ZINC001248846539 805022263 /nfs/dbraw/zinc/02/22/63/805022263.db2.gz ALVIRIYNJOZZAR-UHFFFAOYSA-N 0 3 269.270 3.200 20 30 CGEDHN N#Cc1ccc2cc(CN3CC[C@@H]4OCCC[C@@H]4C3)[nH]c2c1 ZINC001249426325 805146473 /nfs/dbraw/zinc/14/64/73/805146473.db2.gz MIRCUIIBOZQWMZ-QAPCUYQASA-N 0 3 295.386 3.040 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC[C@@H](CF)C3)[nH]c2c1 ZINC001249428906 805146743 /nfs/dbraw/zinc/14/67/43/805146743.db2.gz GPFINZMMXSSOAL-ZDUSSCGKSA-N 0 3 271.339 3.221 20 30 CGEDHN N#Cc1ccc(C2CCC(NCc3cocn3)CC2)cc1 ZINC001257011077 807026310 /nfs/dbraw/zinc/02/63/10/807026310.db2.gz SDDHDDGSOFRNBZ-UHFFFAOYSA-N 0 3 281.359 3.362 20 30 CGEDHN CC[C@@H]1C[C@@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001257113701 807055736 /nfs/dbraw/zinc/05/57/36/807055736.db2.gz JKDPNQVVVPCJFD-MELADBBJSA-N 0 3 295.427 3.056 20 30 CGEDHN C=CCOCc1nn(C)c2c1CN([C@@H](CC)CCC)CC2 ZINC001257261419 807078270 /nfs/dbraw/zinc/07/82/70/807078270.db2.gz VFRCDFVIMKJSGT-AWEZNQCLSA-N 0 3 291.439 3.060 20 30 CGEDHN C[C@H](Cc1ccc(Br)cc1)N1CC(CC#N)C1 ZINC001257560775 807197814 /nfs/dbraw/zinc/19/78/14/807197814.db2.gz MBBJIQFDIJWSJX-LLVKDONJSA-N 0 3 293.208 3.226 20 30 CGEDHN C[C@@H](CC#N)NC1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257578882 807201272 /nfs/dbraw/zinc/20/12/72/807201272.db2.gz JPXJIWNVEYCXCL-AVGNSLFASA-N 0 3 295.427 3.055 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001167583745 807209899 /nfs/dbraw/zinc/20/98/99/807209899.db2.gz PHAKSZWKGFQLSR-UKRRQHHQSA-N 0 3 298.858 3.051 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCC(=O)[C@@H](C(=O)OCC)C1 ZINC001258044769 807274425 /nfs/dbraw/zinc/27/44/25/807274425.db2.gz UWGFUDZOWKGIJD-CABCVRRESA-N 0 3 297.439 3.190 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCC(O)=C(C(=O)OCC)C1 ZINC001258044769 807274429 /nfs/dbraw/zinc/27/44/29/807274429.db2.gz UWGFUDZOWKGIJD-CABCVRRESA-N 0 3 297.439 3.190 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(CCC#N)CC1 ZINC001258048264 807275401 /nfs/dbraw/zinc/27/54/01/807275401.db2.gz RXTJQXGKHKOWTE-MRXNPFEDSA-N 0 3 265.445 3.267 20 30 CGEDHN CCCCCCCCC[C@@H](C)N[C@@](N)(CC)CO ZINC001258230995 807378810 /nfs/dbraw/zinc/37/88/10/807378810.db2.gz FQBLVGYJHQAXEZ-CABCVRRESA-N 0 3 258.450 3.163 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168610104 807455918 /nfs/dbraw/zinc/45/59/18/807455918.db2.gz QCWZGKUHSJTOHX-BFYDXBDKSA-N 0 3 288.391 3.197 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)s1 ZINC001169833445 807714015 /nfs/dbraw/zinc/71/40/15/807714015.db2.gz PEUDPRBESPVVOD-UHFFFAOYSA-N 0 3 272.845 3.341 20 30 CGEDHN CN(Cc1cc2ccccc2[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC001261237210 807717889 /nfs/dbraw/zinc/71/78/89/807717889.db2.gz KVMDOJDZDGEUSF-WFASDCNBSA-N 0 3 253.349 3.292 20 30 CGEDHN CCCCCC[C@@H](CC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001170593703 807863438 /nfs/dbraw/zinc/86/34/38/807863438.db2.gz SXXBGRLZRRELHL-MJBXVCDLSA-N 0 3 272.433 3.245 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(F)c(N)c1 ZINC001262554147 807870186 /nfs/dbraw/zinc/87/01/86/807870186.db2.gz TXWMYYLTGPRDAY-CQSZACIVSA-N 0 3 295.402 3.424 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1c(C)c(C)nn1C ZINC001263092079 807933562 /nfs/dbraw/zinc/93/35/62/807933562.db2.gz FXVDKRJJVWMCPB-CQSZACIVSA-N 0 3 294.443 3.053 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCc2c(Cl)cccc2C1 ZINC001171022033 807962237 /nfs/dbraw/zinc/96/22/37/807962237.db2.gz IVZCOJAPFOQNEM-OLZOCXBDSA-N 0 3 262.784 3.479 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001263616538 807978339 /nfs/dbraw/zinc/97/83/39/807978339.db2.gz YUQMQEMTWWSXTF-BARDWOONSA-N 0 3 285.391 3.296 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001263804890 808007032 /nfs/dbraw/zinc/00/70/32/808007032.db2.gz JASWROGNOVNADJ-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NC1(CC#N)CCCC1 ZINC001171202559 808008990 /nfs/dbraw/zinc/00/89/90/808008990.db2.gz CWJQGSBOBBVGFK-AWEZNQCLSA-N 0 3 267.376 3.305 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2occc2C1 ZINC001171229304 808013718 /nfs/dbraw/zinc/01/37/18/808013718.db2.gz LQBNNUJFMRHFHG-CYBMUJFWSA-N 0 3 266.344 3.141 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CCCCC(C)(C)C)[C@H]1C ZINC001264143164 808040201 /nfs/dbraw/zinc/04/02/01/808040201.db2.gz LPRDBCHYHQASCI-CABCVRRESA-N 0 3 280.456 3.358 20 30 CGEDHN C#C[C@@H]1CCCN([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171386989 808040936 /nfs/dbraw/zinc/04/09/36/808040936.db2.gz HIVCMGKRQBMVGE-IUODEOHRSA-N 0 3 275.342 3.167 20 30 CGEDHN CC1(C#N)CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171436924 808056320 /nfs/dbraw/zinc/05/63/20/808056320.db2.gz IMSIXUJZUNKIAT-CQSZACIVSA-N 0 3 272.367 3.309 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CC=C(C)C)[C@@H]1C ZINC001264717749 808088575 /nfs/dbraw/zinc/08/85/75/808088575.db2.gz JLJZIIDWGYOJLS-VYDXJSESSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001265306338 808129069 /nfs/dbraw/zinc/12/90/69/808129069.db2.gz NWKABMCGGGYBFK-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001266651882 808301614 /nfs/dbraw/zinc/30/16/14/808301614.db2.gz LGBUEONPZVTEDF-JCZQEFQBSA-N 0 3 296.842 3.207 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001266836989 808321027 /nfs/dbraw/zinc/32/10/27/808321027.db2.gz GPEVOHDKJOMLQC-HZPDHXFCSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](CC)CCC ZINC001266857575 808326032 /nfs/dbraw/zinc/32/60/32/808326032.db2.gz NGAJKOZZMXGAMW-HZPDHXFCSA-N 0 3 280.456 3.360 20 30 CGEDHN Cc1ccc(F)c(CN[C@H](C)CCCC#N)c1F ZINC001172481854 808345194 /nfs/dbraw/zinc/34/51/94/808345194.db2.gz YPNMMJYJXXECRD-LLVKDONJSA-N 0 3 252.308 3.445 20 30 CGEDHN N=C(N[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc(F)cn1 ZINC001172552006 808381663 /nfs/dbraw/zinc/38/16/63/808381663.db2.gz VFVVYYWCHUNGGH-UKRRQHHQSA-N 0 3 283.350 3.262 20 30 CGEDHN N#Cc1ccccc1CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172710226 808415151 /nfs/dbraw/zinc/41/51/51/808415151.db2.gz SIIHIKUSZHRQCX-QGZVFWFLSA-N 0 3 282.774 3.469 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)C[C@H](C)CC)c1ccccc1 ZINC001267356647 808419871 /nfs/dbraw/zinc/41/98/71/808419871.db2.gz GUSHIAZSRARCAH-NVXWUHKLSA-N 0 3 288.435 3.446 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C1CCC=CCC1)c1ccccc1 ZINC001267382222 808422502 /nfs/dbraw/zinc/42/25/02/808422502.db2.gz NECUPMLLWUXLSQ-SFHVURJKSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CCCCC(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1 ZINC001267790859 808494155 /nfs/dbraw/zinc/49/41/55/808494155.db2.gz NDPOUMGOBGNIER-INIZCTEOSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCCC(=O)N(CC)CCN[C@@H](C)c1ccccc1F ZINC001268441458 808588073 /nfs/dbraw/zinc/58/80/73/808588073.db2.gz RPZYQJBAAICVPG-AWEZNQCLSA-N 0 3 292.398 3.291 20 30 CGEDHN C=CCOC1CCC(NCc2cc(F)cnc2Cl)CC1 ZINC001173317463 808608565 /nfs/dbraw/zinc/60/85/65/808608565.db2.gz XRDPCXDPUYQARL-UHFFFAOYSA-N 0 3 298.789 3.478 20 30 CGEDHN CC(C)C[C@H]([NH2+][C@H]1CCCC2(CCCCC2)C1)C(=O)N[O-] ZINC001173345305 808622935 /nfs/dbraw/zinc/62/29/35/808622935.db2.gz DZGWHEWBWIPCQA-GJZGRUSLSA-N 0 3 296.455 3.389 20 30 CGEDHN CC1(C#N)CCC(n2nc(-c3ccncc3)cc2CN)CC1 ZINC001173590412 808647062 /nfs/dbraw/zinc/64/70/62/808647062.db2.gz IDCUSHVNKMBDDO-UHFFFAOYSA-N 0 3 295.390 3.049 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001269268227 808661279 /nfs/dbraw/zinc/66/12/79/808661279.db2.gz JHYKIJCHJIIMLH-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1CCCC1CCC1 ZINC001269284827 808663842 /nfs/dbraw/zinc/66/38/42/808663842.db2.gz GAXPBJBZIKOOHS-FUHWJXTLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNC[C@@]1(NC(=O)CCC)CCCC[C@@H]1C ZINC001269656707 808694520 /nfs/dbraw/zinc/69/45/20/808694520.db2.gz FHEAJVXILSGXHJ-WFASDCNBSA-N 0 3 286.847 3.194 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H](C)CCCCC)C1 ZINC001270631917 808739153 /nfs/dbraw/zinc/73/91/53/808739153.db2.gz GWTZJBJYCRRLSQ-WBVHZDCISA-N 0 3 280.456 3.360 20 30 CGEDHN CN(C)Cc1ccccc1Nc1ccccc1C#N ZINC001173929988 808769734 /nfs/dbraw/zinc/76/97/34/808769734.db2.gz PBGSBLUTXLVWRE-UHFFFAOYSA-N 0 3 251.333 3.363 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(C)oc(C)c1C ZINC001272897751 808826964 /nfs/dbraw/zinc/82/69/64/808826964.db2.gz MXVADPKYLVXXDW-JTQLQIEISA-N 0 3 298.814 3.055 20 30 CGEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(CC)cc2)C1=O ZINC001272972893 808828726 /nfs/dbraw/zinc/82/87/26/808828726.db2.gz ZZEOBCSQTLBMIE-IBGZPJMESA-N 0 3 298.430 3.002 20 30 CGEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(C)cc2)C1=O ZINC001272972005 808829261 /nfs/dbraw/zinc/82/92/61/808829261.db2.gz NZDFOZVHWBTRLE-LJQANCHMSA-N 0 3 298.430 3.138 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C12CCC(CC1)CC2 ZINC001273191693 808837975 /nfs/dbraw/zinc/83/79/75/808837975.db2.gz FFDTZTAMYUHDEI-HLIUYOAVSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1csc(Cl)c1 ZINC001275151281 808917346 /nfs/dbraw/zinc/91/73/46/808917346.db2.gz ZACMONXUWOGPKE-LBPRGKRZSA-N 0 3 298.839 3.124 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(C2CC2)cc1 ZINC001275166996 808918457 /nfs/dbraw/zinc/91/84/57/808918457.db2.gz KJFVOBRPMUKVJU-GOSISDBHSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCCCCCCCCN1CC2(CCN2C)C1 ZINC001276042923 808985852 /nfs/dbraw/zinc/98/58/52/808985852.db2.gz LSIDEQMWRUJFDO-UHFFFAOYSA-N 0 3 250.430 3.293 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)C2CC2)C(C)(C)C1 ZINC001276578677 809018144 /nfs/dbraw/zinc/01/81/44/809018144.db2.gz HWVMNCKVXQJPRG-OAHLLOKOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CCC(C)C)CCCC1 ZINC001276986200 809052129 /nfs/dbraw/zinc/05/21/29/809052129.db2.gz SKHUEOOSOZEHKN-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C(CCC)CCC)[C@@H]1C ZINC001278520810 809139321 /nfs/dbraw/zinc/13/93/21/809139321.db2.gz ISWXWMDZHWEWGA-RDJZCZTQSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCC1(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001279399998 809171743 /nfs/dbraw/zinc/17/17/43/809171743.db2.gz LLFHRGUOVFDLJZ-QGZVFWFLSA-N 0 3 296.430 3.204 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001280139636 809181629 /nfs/dbraw/zinc/18/16/29/809181629.db2.gz JXITVZLELMNNEG-CQSZACIVSA-N 0 3 298.858 3.169 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C/C=C(/C)C=C)cc1 ZINC001280354341 809186035 /nfs/dbraw/zinc/18/60/35/809186035.db2.gz NOIKQRULYFWPPN-UJPCXNRSSA-N 0 3 296.414 3.109 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1c2ccccc2CCN1CCC ZINC001281775695 809220977 /nfs/dbraw/zinc/22/09/77/809220977.db2.gz DFBQLUUBXAHTBQ-QGZVFWFLSA-N 0 3 286.419 3.078 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001282741368 809261719 /nfs/dbraw/zinc/26/17/19/809261719.db2.gz POOIMSXUALXPKZ-AWEZNQCLSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001282812655 809263641 /nfs/dbraw/zinc/26/36/41/809263641.db2.gz PBNVZODUIIXVIC-ZBFHGGJFSA-N 0 3 294.483 3.461 20 30 CGEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCCCCC(C)C)C1 ZINC001284015466 809292730 /nfs/dbraw/zinc/29/27/30/809292730.db2.gz SQGPEANZWASWPQ-DLBZAZTESA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H](F)c1ccccc1)C(C)C ZINC001284544928 809310130 /nfs/dbraw/zinc/31/01/30/809310130.db2.gz QNIMWYHMXYTFHH-INIZCTEOSA-N 0 3 292.398 3.052 20 30 CGEDHN C#CCN1CCC([C@H](C)NC(=O)C(CCC)CCC)CC1 ZINC001284723281 809316511 /nfs/dbraw/zinc/31/65/11/809316511.db2.gz LFKHJIZLYDWNBY-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)CCCC)CC1 ZINC001284711924 809316624 /nfs/dbraw/zinc/31/66/24/809316624.db2.gz FPKLLSGDPHJAJH-HOTGVXAUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001177155751 809783494 /nfs/dbraw/zinc/78/34/94/809783494.db2.gz ORNDXPLXJDAJJM-CYBMUJFWSA-N 0 3 286.847 3.051 20 30 CGEDHN CCc1ncsc1NC(=O)C(C#N)Cc1cccs1 ZINC001177908522 809830670 /nfs/dbraw/zinc/83/06/70/809830670.db2.gz LKOLHYCTZOCYSM-SECBINFHSA-N 0 3 291.401 3.088 20 30 CGEDHN C=CCCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001181543845 810058439 /nfs/dbraw/zinc/05/84/39/810058439.db2.gz WEKRBNVPQRCXPZ-ZIAGYGMSSA-N 0 3 290.382 3.043 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCC[C@H](C)CCC)[C@@H]2C1 ZINC001188043397 810446115 /nfs/dbraw/zinc/44/61/15/810446115.db2.gz JTTLZDWMWQBXFH-IXDOHACOSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCN(C/C=C(/C)COC)[C@H]1CCc2ccccc21 ZINC001190530031 810632461 /nfs/dbraw/zinc/63/24/61/810632461.db2.gz YXERUTSWSIXZGK-RXBGNRNISA-N 0 3 269.388 3.202 20 30 CGEDHN CCCCCCCCNC(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001191068506 810669407 /nfs/dbraw/zinc/66/94/07/810669407.db2.gz PKFADZOUKMJNDV-JKSUJKDBSA-N 0 3 295.471 3.083 20 30 CGEDHN CCCCCCCCNC(=O)NC[C@@H]1CCCCN1C ZINC001191074038 810671268 /nfs/dbraw/zinc/67/12/68/810671268.db2.gz BDIYQNNZBHAQQK-HNNXBMFYSA-N 0 3 283.460 3.130 20 30 CGEDHN CC[C@@H](C)N1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001194377079 811063075 /nfs/dbraw/zinc/06/30/75/811063075.db2.gz RERMGXVEZOCOEU-CYBMUJFWSA-N 0 3 291.826 3.128 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC001195966554 811305402 /nfs/dbraw/zinc/30/54/02/811305402.db2.gz KYLGYWRHWNPKDY-HNNXBMFYSA-N 0 3 296.430 3.037 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC001195966555 811306236 /nfs/dbraw/zinc/30/62/36/811306236.db2.gz KYLGYWRHWNPKDY-OAHLLOKOSA-N 0 3 296.430 3.037 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001196724559 811359564 /nfs/dbraw/zinc/35/95/64/811359564.db2.gz KLDFSBDWVXOGQI-BQYQJAHWSA-N 0 3 292.467 3.479 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC001197032788 811390608 /nfs/dbraw/zinc/39/06/08/811390608.db2.gz SKILVWIQARMDPI-HUUCEWRRSA-N 0 3 291.847 3.376 20 30 CGEDHN C#CCCN1CCCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC001197354105 811419559 /nfs/dbraw/zinc/41/95/59/811419559.db2.gz NBUZATFOEURYDH-QGZVFWFLSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CCc1cc(CN[C@@H](C)c2ccc[nH]2)cc(OC)c1O ZINC001201842469 811971226 /nfs/dbraw/zinc/97/12/26/811971226.db2.gz LEKQEXBDZQJBII-LBPRGKRZSA-N 0 3 286.375 3.308 20 30 CGEDHN N#Cc1cccc(C2CCN(Cc3ccc[nH]3)CC2)c1 ZINC001204010848 812518032 /nfs/dbraw/zinc/51/80/32/812518032.db2.gz WPZMTJLVJJQJOU-UHFFFAOYSA-N 0 3 265.360 3.266 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(N2CCCC2)cc1 ZINC001204322561 812612672 /nfs/dbraw/zinc/61/26/72/812612672.db2.gz SADDSXAZNWZSSV-UHFFFAOYSA-N 0 3 256.393 3.461 20 30 CGEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001204352084 812617122 /nfs/dbraw/zinc/61/71/22/812617122.db2.gz OKTGSTFNMZKUSO-HNNXBMFYSA-N 0 3 273.401 3.078 20 30 CGEDHN CCCCCCC[C@@H](C)OCCCN1CCN(C)CC1 ZINC001206588884 813365133 /nfs/dbraw/zinc/36/51/33/813365133.db2.gz BSAIRKGKQXFHED-QGZVFWFLSA-N 0 3 284.488 3.390 20 30 CGEDHN C=C(C)CO[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001206750394 813420255 /nfs/dbraw/zinc/42/02/55/813420255.db2.gz HZTAVTSHZKHILA-HUUCEWRRSA-N 0 3 260.381 3.200 20 30 CGEDHN COc1cc(C)ccc1CN1CCC[C@@H](C#N)CC1 ZINC001206768761 813430587 /nfs/dbraw/zinc/43/05/87/813430587.db2.gz AMSBLZAJFAYNEQ-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1F ZINC001207505020 813579655 /nfs/dbraw/zinc/57/96/55/813579655.db2.gz SLQFHDLDFMHCBD-XMQYKBBCSA-N 0 3 258.340 3.135 20 30 CGEDHN C[C@H](NCC1(C#N)CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC001207773807 813648865 /nfs/dbraw/zinc/64/88/65/813648865.db2.gz HIDKCVBJCBZPTB-MELADBBJSA-N 0 3 290.432 3.150 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@@H](N2CCOCC2)C1 ZINC001208118502 813696573 /nfs/dbraw/zinc/69/65/73/813696573.db2.gz JSBFAYSLRPLIBE-GFOMBABLSA-N 0 3 294.483 3.310 20 30 CGEDHN C=CCN(CCN(CC)Cc1ccccc1)C(=O)OCC ZINC001209015579 813917014 /nfs/dbraw/zinc/91/70/14/813917014.db2.gz NBJQYWVPKMXVIX-UHFFFAOYSA-N 0 3 290.407 3.153 20 30 CGEDHN N#CC1CCN(CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001209123724 813940987 /nfs/dbraw/zinc/94/09/87/813940987.db2.gz GBWPTUQKJLPNIJ-UHFFFAOYSA-N 0 3 282.309 3.483 20 30 CGEDHN C=CCCCN1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001209160842 813951728 /nfs/dbraw/zinc/95/17/28/813951728.db2.gz APBGDNSALGOZNS-UHFFFAOYSA-N 0 3 285.435 3.388 20 30 CGEDHN C=CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001209160303 813952520 /nfs/dbraw/zinc/95/25/20/813952520.db2.gz OKYSQTZZTXIXEH-AWEZNQCLSA-N 0 3 282.428 3.284 20 30 CGEDHN C=CCCCCN1CCN(c2ccccc2F)CC1 ZINC001209202447 813967328 /nfs/dbraw/zinc/96/73/28/813967328.db2.gz HKMOOFQWJXEASQ-UHFFFAOYSA-N 0 3 262.372 3.304 20 30 CGEDHN C[C@H]1C[C@H]1CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209429433 814030464 /nfs/dbraw/zinc/03/04/64/814030464.db2.gz XBIFSJCZVDRNKU-KBPBESRZSA-N 0 3 272.367 3.339 20 30 CGEDHN C=CCCCCCCCN1CCN(c2cccnn2)CC1 ZINC001209438245 814036849 /nfs/dbraw/zinc/03/68/49/814036849.db2.gz CUSHUGJGXATOMF-UHFFFAOYSA-N 0 3 288.439 3.125 20 30 CGEDHN C#CCN(C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209517249 814070544 /nfs/dbraw/zinc/07/05/44/814070544.db2.gz FIJFFXNRJSISTC-UHFFFAOYSA-N 0 3 252.361 3.159 20 30 CGEDHN C=CCCCCN(C)Cc1nn(C)c2ccccc12 ZINC001209583130 814091012 /nfs/dbraw/zinc/09/10/12/814091012.db2.gz GRQAJCJLMUPYOS-UHFFFAOYSA-N 0 3 257.381 3.361 20 30 CGEDHN CN(Cc1cn(C)c2ncccc12)Cc1ccc(C#N)cc1 ZINC001209748631 814129109 /nfs/dbraw/zinc/12/91/09/814129109.db2.gz ITYBVUMIWTTWQS-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001211512743 814900349 /nfs/dbraw/zinc/90/03/49/814900349.db2.gz CDZDIDMPFNOMEZ-WXFDERKXSA-N 0 3 298.430 3.021 20 30 CGEDHN N#Cc1ccc(-c2ccc(O[C@@H]3CCNC[C@H]3F)cc2)cc1 ZINC001218064403 816082784 /nfs/dbraw/zinc/08/27/84/816082784.db2.gz KVLVHGSBKMFWCO-QZTJIDSGSA-N 0 3 296.345 3.304 20 30 CGEDHN C[NH2+]Cc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001242994468 823202834 /nfs/dbraw/zinc/20/28/34/823202834.db2.gz ZEOAREKYYKIKGF-VCHYOVAHSA-N 0 3 258.296 3.020 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001224187662 816751014 /nfs/dbraw/zinc/75/10/14/816751014.db2.gz WXZSVKBHKCNTND-GDBMZVCRSA-N 0 3 298.446 3.165 20 30 CGEDHN C=CCCCO[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001224511860 816817773 /nfs/dbraw/zinc/81/77/73/816817773.db2.gz VJOVYBFIBXHCKG-LSDHHAIUSA-N 0 3 260.381 3.200 20 30 CGEDHN C#CCN1CCC(CNC(=O)CCCCCC(C)C)CC1 ZINC001224762452 816875809 /nfs/dbraw/zinc/87/58/09/816875809.db2.gz PSAPFAYZKGXSFJ-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CC/C=C/CCC ZINC001231169955 818050561 /nfs/dbraw/zinc/05/05/61/818050561.db2.gz LRZMMXKKNWIHJE-FDMDGMSGSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001231179952 818055122 /nfs/dbraw/zinc/05/51/22/818055122.db2.gz YALIPDHAZMKSSG-OAHLLOKOSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCN(Cc1ccc(OC(F)F)nc1)C(C)(C)C ZINC001232956545 818484507 /nfs/dbraw/zinc/48/45/07/818484507.db2.gz CVAGURDFFNZZLD-UHFFFAOYSA-N 0 3 270.323 3.470 20 30 CGEDHN Cc1ccc(CN2CC[C@H](c3ccncc3)C2)c(C#N)c1 ZINC001232966787 818485989 /nfs/dbraw/zinc/48/59/89/818485989.db2.gz WATBRETVSIEFON-KRWDZBQOSA-N 0 3 277.371 3.251 20 30 CGEDHN CN1CCC(Oc2cc(C(F)(F)F)ccc2C#N)CC1 ZINC001233724921 818692085 /nfs/dbraw/zinc/69/20/85/818692085.db2.gz DEQHMURWIXQKGG-UHFFFAOYSA-N 0 3 284.281 3.050 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001234030739 818761500 /nfs/dbraw/zinc/76/15/00/818761500.db2.gz WVMURAPBXVIHQP-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234038385 818763648 /nfs/dbraw/zinc/76/36/48/818763648.db2.gz AVMNQQWWNQKZOV-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCCC ZINC001234555614 818881477 /nfs/dbraw/zinc/88/14/77/818881477.db2.gz XLQCNTIPSAUQGU-CYBMUJFWSA-N 0 3 286.847 3.098 20 30 CGEDHN C#CC1CCN(Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001235671482 819133673 /nfs/dbraw/zinc/13/36/73/819133673.db2.gz ASFCCQMJLJCQJY-UHFFFAOYSA-N 0 3 299.292 3.136 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3sc(C)nc3c2)C1 ZINC001235861738 819190502 /nfs/dbraw/zinc/19/05/02/819190502.db2.gz DSPTXOBDHCNAOB-CYBMUJFWSA-N 0 3 270.401 3.450 20 30 CGEDHN COc1ccc(-c2ccc(F)c(C#N)c2)cc1CN(C)C ZINC001235895469 819205426 /nfs/dbraw/zinc/20/54/26/819205426.db2.gz KMWCWJOLEGDCCJ-UHFFFAOYSA-N 0 3 284.334 3.435 20 30 CGEDHN CN(C)Cc1cncc(-c2ccc(C3(C#N)CC3)cc2)c1 ZINC001243422107 823400587 /nfs/dbraw/zinc/40/05/87/823400587.db2.gz GCGZPONBJYHXOV-UHFFFAOYSA-N 0 3 277.371 3.365 20 30 CGEDHN N#C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237126516 819673600 /nfs/dbraw/zinc/67/36/00/819673600.db2.gz MHIBFSWCWCBCQN-SNVBAGLBSA-N 0 3 282.746 3.310 20 30 CGEDHN N#C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237126516 819673603 /nfs/dbraw/zinc/67/36/03/819673603.db2.gz MHIBFSWCWCBCQN-SNVBAGLBSA-N 0 3 282.746 3.310 20 30 CGEDHN CN(CCc1cccc(Cl)c1)Cc1ccnc(C#N)c1 ZINC001237470897 819759167 /nfs/dbraw/zinc/75/91/67/819759167.db2.gz XKUIZWUCHSSNQB-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN CN(Cc1cc(C#N)c(F)cc1F)C1CCCC1 ZINC001237535146 819774186 /nfs/dbraw/zinc/77/41/86/819774186.db2.gz UGDSCXBKGRJQQJ-UHFFFAOYSA-N 0 3 250.292 3.211 20 30 CGEDHN Cc1c(Cl)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001237733717 819823887 /nfs/dbraw/zinc/82/38/87/819823887.db2.gz GBZNNUBLFNUHMN-CQSZACIVSA-N 0 3 293.819 3.423 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001238000828 819907406 /nfs/dbraw/zinc/90/74/06/819907406.db2.gz PUTZKEJRSKGALB-LLVKDONJSA-N 0 3 273.767 3.062 20 30 CGEDHN Cc1ncncc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001238179209 819948847 /nfs/dbraw/zinc/94/88/47/819948847.db2.gz RZSDQCFLZLXZSM-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN CCc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)ccc1C#N ZINC001238776785 820114287 /nfs/dbraw/zinc/11/42/87/820114287.db2.gz WCWGVRSPISLFRK-HRCADAONSA-N 0 3 258.340 3.053 20 30 CGEDHN C[NH+](C)CCOc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001242152464 822896356 /nfs/dbraw/zinc/89/63/56/822896356.db2.gz GTFNIAFSIZSXQF-UHFFFAOYSA-N 0 3 284.359 3.102 20 30 CGEDHN CN(C)Cc1cccc(-c2cc(Cl)cc(C#N)c2)n1 ZINC001242569101 823037570 /nfs/dbraw/zinc/03/75/70/823037570.db2.gz JCZWLNMNVYJRQK-UHFFFAOYSA-N 0 3 271.751 3.335 20 30 CGEDHN Cc1ccccc1[C@H](CO)NCc1c(C)cc(C#N)cc1C ZINC001340989239 936422646 /nfs/dbraw/zinc/42/26/46/936422646.db2.gz HHJRUXBJKSOFTM-IBGZPJMESA-N 0 3 294.398 3.307 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H](C)c1cncs1 ZINC001341520510 936440773 /nfs/dbraw/zinc/44/07/73/936440773.db2.gz FGPGOOWRSWULJD-OLZOCXBDSA-N 0 3 297.468 3.398 20 30 CGEDHN N#CC(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccn1 ZINC001342036633 936457496 /nfs/dbraw/zinc/45/74/96/936457496.db2.gz PWCCIDFHCHPKDY-XJFOESAGSA-N 0 3 254.333 3.084 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1cc2cc(C)ccc2o1 ZINC001342222023 936462431 /nfs/dbraw/zinc/46/24/31/936462431.db2.gz ZFXCHIPNXGEUGT-OAHLLOKOSA-N 0 3 286.375 3.041 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001342923479 936483480 /nfs/dbraw/zinc/48/34/80/936483480.db2.gz DYZLJZTXECYJJW-BZUAXINKSA-N 0 3 293.370 3.180 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)Cc1ccc(C2CCC2)cc1 ZINC001342926318 936483652 /nfs/dbraw/zinc/48/36/52/936483652.db2.gz YDCQXRDFYMKHIR-INIZCTEOSA-N 0 3 293.370 3.107 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(SCC)c1 ZINC001343263103 936492317 /nfs/dbraw/zinc/49/23/17/936492317.db2.gz WLAXSAIWPCLPOH-AWEZNQCLSA-N 0 3 278.421 3.421 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(F)c1SC ZINC001343974637 936520998 /nfs/dbraw/zinc/52/09/98/936520998.db2.gz TXSBYSUSPRJKMG-NSHDSACASA-N 0 3 282.384 3.170 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cscc1C(F)F ZINC001345643218 936818939 /nfs/dbraw/zinc/81/89/39/936818939.db2.gz NTKKSMFPXITVNX-QMMMGPOBSA-N 0 3 295.314 3.392 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC001346097107 936837852 /nfs/dbraw/zinc/83/78/52/936837852.db2.gz XYIDXXXKGVVNKJ-LBPRGKRZSA-N 0 3 299.399 3.333 20 30 CGEDHN C#CCN(Cc1cn(C)nc1-c1ccc(F)cc1)CC1CC1 ZINC001347782778 936895813 /nfs/dbraw/zinc/89/58/13/936895813.db2.gz VGNWOTCGGSDYAR-UHFFFAOYSA-N 0 3 297.377 3.071 20 30 CGEDHN C=C(CC(C)C)C(=O)Nc1cccc(CN(C)C)c1 ZINC001348507354 936924492 /nfs/dbraw/zinc/92/44/92/936924492.db2.gz YUPFWUCUNAMDMB-UHFFFAOYSA-N 0 3 260.381 3.289 20 30 CGEDHN C=CCN(CCNC(=O)C[C@H]1CCCCC1(C)C)C1CC1 ZINC001481199515 926907240 /nfs/dbraw/zinc/90/72/40/926907240.db2.gz UAGHMGKYAOQRKV-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](CC)CC(C)C)C1 ZINC001481779570 927087407 /nfs/dbraw/zinc/08/74/07/927087407.db2.gz UJAJUCNWLKECSM-DLBZAZTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCCC(=O)N(C)CCN(C)[C@H](C)c1ccccc1 ZINC001496770279 927359913 /nfs/dbraw/zinc/35/99/13/927359913.db2.gz FFQDZDUEBVZGNV-MRXNPFEDSA-N 0 3 288.435 3.494 20 30 CGEDHN C/C=C(/C)C(=O)NC[C@@H]1CCN1CCCCCCC ZINC001483641702 927558910 /nfs/dbraw/zinc/55/89/10/927558910.db2.gz PJWQZQOBBZCWTL-AGKVCYSUSA-N 0 3 266.429 3.114 20 30 CGEDHN CC#CCN1CCC(C)(NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001483974099 927656424 /nfs/dbraw/zinc/65/64/24/927656424.db2.gz RAZDQTGQHVRKQB-MRXNPFEDSA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CC(C)C)cc1 ZINC001484556529 927721771 /nfs/dbraw/zinc/72/17/71/927721771.db2.gz ALDPIUZJKGIUDP-HNNXBMFYSA-N 0 3 286.419 3.023 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C=C2CCC2)cc1 ZINC001484561435 927722009 /nfs/dbraw/zinc/72/20/09/927722009.db2.gz ZATURAUDVDGDCV-OAHLLOKOSA-N 0 3 296.414 3.087 20 30 CGEDHN C=C1CC(C)(C(=O)NCc2ccc3c(c2)CN(C(C)C)C3)C1 ZINC001484875945 927764088 /nfs/dbraw/zinc/76/40/88/927764088.db2.gz VTZZNWIGLFZCGG-UHFFFAOYSA-N 0 3 298.430 3.383 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)C1(CC=C)CCCCC1 ZINC001485387190 927862160 /nfs/dbraw/zinc/86/21/60/927862160.db2.gz FWVBKBMYXFTOQD-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)C2CC=CC2)CCCCC1 ZINC001485448562 927867144 /nfs/dbraw/zinc/86/71/44/927867144.db2.gz XTGCYSCIZVEWEI-UHFFFAOYSA-N 0 3 296.842 3.114 20 30 CGEDHN C#CCN(CCOCC=C)[C@@H]1CCCc2ccccc21 ZINC001473826891 937202009 /nfs/dbraw/zinc/20/20/09/937202009.db2.gz WZWYAWRVRODPHP-GOSISDBHSA-N 0 3 269.388 3.202 20 30 CGEDHN CCN1CCN(Cc2ccc(C#N)cc2Cl)C(C)(C)C1 ZINC001238088465 927933252 /nfs/dbraw/zinc/93/32/52/927933252.db2.gz FKNCBFGNIRQJTG-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN C#Cc1ccc(CN2CC[C@](CF)(C(F)(F)F)C2)cc1 ZINC001144568265 928198332 /nfs/dbraw/zinc/19/83/32/928198332.db2.gz OWOZQTGPZOPKJA-CQSZACIVSA-N 0 3 285.284 3.392 20 30 CGEDHN C[C@@H](CCCC#N)NCc1ccncc1Br ZINC001172486030 928223345 /nfs/dbraw/zinc/22/33/45/928223345.db2.gz XVQCHADXTOUVPE-JTQLQIEISA-N 0 3 282.185 3.016 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@](C)(C=C)CC ZINC001488653393 928286479 /nfs/dbraw/zinc/28/64/79/928286479.db2.gz IVIZJINKZVALRF-NVXWUHKLSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(C)CCCCC1 ZINC001488652042 928287222 /nfs/dbraw/zinc/28/72/22/928287222.db2.gz CUDUBLKHYSLNEL-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1[O-] ZINC001560970804 937238620 /nfs/dbraw/zinc/23/86/20/937238620.db2.gz JKSDXAZVJYJQCM-AWEZNQCLSA-N 0 3 251.329 3.095 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001490547825 928369418 /nfs/dbraw/zinc/36/94/18/928369418.db2.gz HEJQKSYRFSBXHT-WBVHZDCISA-N 0 3 286.419 3.294 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1 ZINC001490758560 928387697 /nfs/dbraw/zinc/38/76/97/928387697.db2.gz JJBXQWQWBCALKA-HMZQOCAUSA-N 0 3 298.858 3.266 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@]1(C)CCC[C@H]1CC ZINC001320021578 928487611 /nfs/dbraw/zinc/48/76/11/928487611.db2.gz QVMDOHVKVIHOIN-NVXWUHKLSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001491216053 928843303 /nfs/dbraw/zinc/84/33/03/928843303.db2.gz XJTIVXKIYKUMHU-WMZOPIPTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001440669747 937333231 /nfs/dbraw/zinc/33/32/31/937333231.db2.gz AYRMESLZIQIXHP-QGZVFWFLSA-N 0 3 288.435 3.324 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N1CCCC(CC)(CC)C1 ZINC001460414499 937530343 /nfs/dbraw/zinc/53/03/43/937530343.db2.gz HZEUBURKIGCAQJ-ZDUSSCGKSA-N 0 3 253.386 3.006 20 30 CGEDHN CCCCN(O)C(=O)c1oc2ccccc2c1CN(C)C ZINC001161832486 931987191 /nfs/dbraw/zinc/98/71/91/931987191.db2.gz NXGSNDFEXAYAQB-UHFFFAOYSA-N 0 3 290.363 3.126 20 30 CGEDHN CCCCN([O-])C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC001161832486 931987195 /nfs/dbraw/zinc/98/71/95/931987195.db2.gz NXGSNDFEXAYAQB-UHFFFAOYSA-N 0 3 290.363 3.126 20 30 CGEDHN CC(C)N1CCC[C@@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229251566 932123574 /nfs/dbraw/zinc/12/35/74/932123574.db2.gz ZHXDSJKVEMYMKB-CYBMUJFWSA-N 0 3 278.783 3.463 20 30 CGEDHN C#C[C@@H]1CCC[C@@H]1Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301959 932129127 /nfs/dbraw/zinc/12/91/27/932129127.db2.gz FASHZAIWQNRTID-KDOFPFPSSA-N 0 3 285.387 3.002 20 30 CGEDHN CCC1=C(Oc2cccc([C@H](C)N(C)C)c2)C(=O)[C@@H](C)O1 ZINC001229628675 932181277 /nfs/dbraw/zinc/18/12/77/932181277.db2.gz WCOXPVLWHOFJTR-NWDGAFQWSA-N 0 3 289.375 3.297 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(CC(F)(F)F)cc1 ZINC001462157311 937621232 /nfs/dbraw/zinc/62/12/32/937621232.db2.gz LANKXDIWRBFWGE-NSHDSACASA-N 0 3 255.283 3.245 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001491965329 932799948 /nfs/dbraw/zinc/79/99/48/932799948.db2.gz JWWOSIDQBSFQGD-IAGOWNOFSA-N 0 3 292.467 3.005 20 30 CGEDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1cccc(C#N)c1 ZINC001462429817 937640864 /nfs/dbraw/zinc/64/08/64/937640864.db2.gz QZABDKWIKCCXDT-UHFFFAOYSA-N 0 3 284.334 3.428 20 30 CGEDHN CCCCCCCCCN1CCN2C(=O)OCC[C@H]2C1 ZINC001307591036 932972472 /nfs/dbraw/zinc/97/24/72/932972472.db2.gz DEQFNQAMTJBAAX-HNNXBMFYSA-N 0 3 282.428 3.264 20 30 CGEDHN C#CCOCCN[C@H](Cc1ccccc1)c1ccccc1F ZINC001307625703 932977943 /nfs/dbraw/zinc/97/79/43/932977943.db2.gz SKYVANLHRLUMGS-LJQANCHMSA-N 0 3 297.373 3.349 20 30 CGEDHN C[C@@H](C#N)CN(C[C@@H]1CCCC12CCOCC2)C1CC1 ZINC001307643199 932979262 /nfs/dbraw/zinc/97/92/62/932979262.db2.gz KFQVLDLHFDFLKC-GJZGRUSLSA-N 0 3 276.424 3.207 20 30 CGEDHN C=C[C@@H](COC)NCc1cccc(CC2CCC2)c1 ZINC001308379775 933104033 /nfs/dbraw/zinc/10/40/33/933104033.db2.gz DQPAVWRIJIBTFS-KRWDZBQOSA-N 0 3 259.393 3.320 20 30 CGEDHN N#Cc1ccc(CCNCc2nc3ccccc3o2)cc1 ZINC001308463207 933114875 /nfs/dbraw/zinc/11/48/75/933114875.db2.gz AFYBLWGZSZKPFP-UHFFFAOYSA-N 0 3 277.327 3.032 20 30 CGEDHN C=CCOc1cccc(CNCc2ccc3nonc3c2)c1 ZINC001308543704 933128004 /nfs/dbraw/zinc/12/80/04/933128004.db2.gz NONWKVAUGLODHJ-UHFFFAOYSA-N 0 3 295.342 3.077 20 30 CGEDHN C#CCCCCCCN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001308784427 933175921 /nfs/dbraw/zinc/17/59/21/933175921.db2.gz IKHFWUUUKRGENI-IAGOWNOFSA-N 0 3 261.409 3.214 20 30 CGEDHN C=C(C)CCC(=O)N1CCC[C@@H](CN(C)C[C@@H](F)CC)C1 ZINC001317037472 933519068 /nfs/dbraw/zinc/51/90/68/933519068.db2.gz SYCGRJAIXHJZOA-HOTGVXAUSA-N 0 3 298.446 3.261 20 30 CGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001317380625 933582217 /nfs/dbraw/zinc/58/22/17/933582217.db2.gz FPKPFSGNOFBBAO-INIZCTEOSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC001317714659 933636618 /nfs/dbraw/zinc/63/66/18/933636618.db2.gz HRKWATASFCCEOA-HZPDHXFCSA-N 0 3 286.419 3.056 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCCCC)CC1 ZINC001318215466 933697449 /nfs/dbraw/zinc/69/74/49/933697449.db2.gz GPXMDMUVCQUFQE-IRXDYDNUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H]1C=CCCC1)C(C)C ZINC001319922252 933958831 /nfs/dbraw/zinc/95/88/31/933958831.db2.gz LXJXQYLMWYSMGP-GJZGRUSLSA-N 0 3 298.858 3.216 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1cc(CCC)c(C)s1 ZINC001320080305 933995612 /nfs/dbraw/zinc/99/56/12/933995612.db2.gz LSVJFCAGWRPOOJ-UHFFFAOYSA-N 0 3 294.464 3.199 20 30 CGEDHN COc1cccc2cc(CN[C@H]3CC[C@H](C#N)C3)oc21 ZINC001321180197 934159069 /nfs/dbraw/zinc/15/90/69/934159069.db2.gz RSTFQYXELIJHRC-AAEUAGOBSA-N 0 3 270.332 3.223 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CCc2c1cccc2Cl ZINC001321242437 934168805 /nfs/dbraw/zinc/16/88/05/934168805.db2.gz XVHKITAMMDDOFB-IINYFYTJSA-N 0 3 251.757 3.118 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001323354864 934388729 /nfs/dbraw/zinc/38/87/29/934388729.db2.gz CKAOTIDCHFGVOK-PQUAAJSLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001323763613 934423679 /nfs/dbraw/zinc/42/36/79/934423679.db2.gz OSTWHMWEHSJDTC-IYBDPMFKSA-N 0 3 278.440 3.064 20 30 CGEDHN CCN(CC)[C@@H](CNc1cc(C)c(C#N)cn1)c1ccco1 ZINC001472674496 937780288 /nfs/dbraw/zinc/78/02/88/937780288.db2.gz CMRFLOYXSQSJJM-HNNXBMFYSA-N 0 3 298.390 3.350 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001324958234 934876173 /nfs/dbraw/zinc/87/61/73/934876173.db2.gz REUMLESDPHAMHW-MAUKXSAKSA-N 0 3 292.467 3.217 20 30 CGEDHN C[C@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC001325398370 934909835 /nfs/dbraw/zinc/90/98/35/934909835.db2.gz IJHXFSADOPXFFL-CQSZACIVSA-N 0 3 298.361 3.080 20 30 CGEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)C(CC)CC)[C@@H]2C1 ZINC001325942116 934940251 /nfs/dbraw/zinc/94/02/51/934940251.db2.gz GXHVVRMTIHZNSE-HYVNUMGLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001326405033 934977106 /nfs/dbraw/zinc/97/71/06/934977106.db2.gz SWGGEDOIHZGCFC-AWEZNQCLSA-N 0 3 298.858 3.147 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1nc(C)nc1-c1ccccc1 ZINC001328027954 935110573 /nfs/dbraw/zinc/11/05/73/935110573.db2.gz XPFYNHCSYVUAEE-CALCHBBNSA-N 0 3 294.402 3.394 20 30 CGEDHN C#C[C@H](NCc1sc(N2CCCCC2)nc1C)C(C)C ZINC001329800017 935246383 /nfs/dbraw/zinc/24/63/83/935246383.db2.gz GOVSWBPXRQZDOE-AWEZNQCLSA-N 0 3 291.464 3.189 20 30 CGEDHN Nc1ccc2c(c1)C(=NN[C@H]1CCCSC1)CCCC2 ZINC001331365457 935373397 /nfs/dbraw/zinc/37/33/97/935373397.db2.gz VTNUIICEJAEZOY-AWEZNQCLSA-N 0 3 289.448 3.185 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001332523397 935475264 /nfs/dbraw/zinc/47/52/64/935475264.db2.gz QAAPOXYANLWTRG-CABCVRRESA-N 0 3 299.374 3.479 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CCC ZINC001337257352 936245836 /nfs/dbraw/zinc/24/58/36/936245836.db2.gz CZWBDASKJHRUTR-CABCVRRESA-N 0 3 266.429 3.112 20 30 CGEDHN C#C[C@@H]1CCCCN1Cc1c(C)cc(C#N)cc1C ZINC001473868853 937826038 /nfs/dbraw/zinc/82/60/38/937826038.db2.gz XNQAQVLYWVNXIL-MRXNPFEDSA-N 0 3 252.361 3.163 20 30 CGEDHN C=C(CNCc1ccnn1-c1ccncc1)c1ccccc1 ZINC001473982476 937833690 /nfs/dbraw/zinc/83/36/90/937833690.db2.gz PBLCQQOFLJDVBP-UHFFFAOYSA-N 0 3 290.370 3.070 20 30 CGEDHN C#CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C1CCCCC1 ZINC001474339536 937852456 /nfs/dbraw/zinc/85/24/56/937852456.db2.gz LSZMUWDTGAIQTN-UHFFFAOYSA-N 0 3 287.403 3.477 20 30 CGEDHN C#CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C1CCCCC1 ZINC001474339536 937852458 /nfs/dbraw/zinc/85/24/58/937852458.db2.gz LSZMUWDTGAIQTN-UHFFFAOYSA-N 0 3 287.403 3.477 20 30 CGEDHN C#CCN(CC#CC)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001474369689 937855591 /nfs/dbraw/zinc/85/55/91/937855591.db2.gz OPEOFUYEHAYEFS-OALUTQOASA-N 0 3 265.400 3.455 20 30 CGEDHN C=C1CC(C)(C(=O)NCCCN(C)Cc2ccsc2)C1 ZINC001479795204 937925853 /nfs/dbraw/zinc/92/58/53/937925853.db2.gz ILQHRZOKTPCSKV-UHFFFAOYSA-N 0 3 292.448 3.043 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001479904500 937928851 /nfs/dbraw/zinc/92/88/51/937928851.db2.gz NLSHYDFILHWUDB-INIZCTEOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001479960112 937929682 /nfs/dbraw/zinc/92/96/82/937929682.db2.gz AJDFOTXQEWRRSF-NVXWUHKLSA-N 0 3 298.430 3.077 20 30 CGEDHN C=C[C@H](C(=O)N[C@@H]1CCN(CC=C(C)C)C1)c1ccccc1 ZINC001479971524 937930293 /nfs/dbraw/zinc/93/02/93/937930293.db2.gz BNXXXIUHBLAGRA-MSOLQXFVSA-N 0 3 298.430 3.113 20 30 CGEDHN CC#CCNC/C=C/CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001497763496 937966739 /nfs/dbraw/zinc/96/67/39/937966739.db2.gz GMMAUSCIUMCEIM-WAVCKPEOSA-N 0 3 298.430 3.099 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001498978636 937971949 /nfs/dbraw/zinc/97/19/49/937971949.db2.gz HVBRIARVRPFWHM-ARFHVFGLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1CC/C=C/CC ZINC001499059053 937972224 /nfs/dbraw/zinc/97/22/24/937972224.db2.gz ZNESFKSWCPMGTF-PJZFAXFVSA-N 0 3 278.440 3.136 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)=C2CCC2)cc1 ZINC001501676947 937980163 /nfs/dbraw/zinc/98/01/63/937980163.db2.gz QHDKPAGDEJIGRG-HNNXBMFYSA-N 0 3 296.414 3.087 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C(C)(C)C1CC1 ZINC001506934893 937992813 /nfs/dbraw/zinc/99/28/13/937992813.db2.gz CPPCVKYMVSRNMD-LBPRGKRZSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H](C)CC)C(C)C ZINC001507786804 937996779 /nfs/dbraw/zinc/99/67/79/937996779.db2.gz FJZTWCIYPHLJFB-HNNXBMFYSA-N 0 3 268.445 3.168 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC001521216574 938030424 /nfs/dbraw/zinc/03/04/24/938030424.db2.gz IWONBUCYPSXRTN-CVEARBPZSA-N 0 3 290.382 3.173 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1nc(C(C)C)c(C)s1 ZINC001521929464 938035408 /nfs/dbraw/zinc/03/54/08/938035408.db2.gz BIQUPNHTXINUKX-LLVKDONJSA-N 0 3 281.425 3.197 20 30 CGEDHN CC(C)c1ccc(C(=O)C(C#N)c2cccc(F)n2)cn1 ZINC001524705262 938044934 /nfs/dbraw/zinc/04/49/34/938044934.db2.gz PLDVSUUGXIBCLH-LBPRGKRZSA-N 0 3 283.306 3.229 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](O)[C@H](C)c1ccccc1 ZINC001559821704 938236743 /nfs/dbraw/zinc/23/67/43/938236743.db2.gz ZKXGVNNJSQZCQS-XLIONFOSSA-N 0 3 293.410 3.286 20 30 CGEDHN C=CCN(Cc1cccc(OCCC)c1)[C@@H](C)COC ZINC001559993139 938241187 /nfs/dbraw/zinc/24/11/87/938241187.db2.gz QIALSESWHFVZGH-HNNXBMFYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=CCC[C@H]1CCCN1Cc1csnc1OC ZINC001560200327 938246797 /nfs/dbraw/zinc/24/67/97/938246797.db2.gz SYASFSCGHSLVBD-LBPRGKRZSA-N 0 3 252.383 3.082 20 30 CGEDHN C=CC(C)(C)CCCNCc1ccoc1C(=O)OC ZINC001560996947 938288642 /nfs/dbraw/zinc/28/86/42/938288642.db2.gz GNQHUQGWVNLOJY-UHFFFAOYSA-N 0 3 265.353 3.148 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H]1CCOCC12CCCC2 ZINC001561051021 938291988 /nfs/dbraw/zinc/29/19/88/938291988.db2.gz MZSCRBZYPFITQJ-INIZCTEOSA-N 0 3 288.366 3.136 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001490798930 957900766 /nfs/dbraw/zinc/90/07/66/957900766.db2.gz NWJFSAMPMYPUPQ-VVLHAWIVSA-N 0 3 292.467 3.308 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC001574851872 960469767 /nfs/dbraw/zinc/46/97/67/960469767.db2.gz LWQOUETZBKRRBA-MCIONIFRSA-N 0 3 286.847 3.177 20 30 CGEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001566525059 960560673 /nfs/dbraw/zinc/56/06/73/960560673.db2.gz HIMIKFZXLFWFTJ-ZFWWWQNUSA-N 0 3 298.858 3.288 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCC)CCCCC1 ZINC001565835451 960842317 /nfs/dbraw/zinc/84/23/17/960842317.db2.gz NJUHDFNPSAAFOS-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)[C@H]1C ZINC001566109239 960881321 /nfs/dbraw/zinc/88/13/21/960881321.db2.gz DVVYSORMWYRDMU-ILXRZTDVSA-N 0 3 280.456 3.214 20 30 CGEDHN C=C(C)CCC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001567284633 961255889 /nfs/dbraw/zinc/25/58/89/961255889.db2.gz QBIBZPVEFWXHOW-UHFFFAOYSA-N 0 3 288.435 3.208 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)CC(C)C)c1ccccc1 ZINC001567654121 961381351 /nfs/dbraw/zinc/38/13/51/961381351.db2.gz KQFMNNXLRNSZBM-MRXNPFEDSA-N 0 3 274.408 3.056 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)/C=C(/C)CC)C1 ZINC001567683739 961389605 /nfs/dbraw/zinc/38/96/05/961389605.db2.gz ZNQNHLWYRUASEE-UVQBRAAOSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCC(CC=C)C(=O)N(CCC)[C@@H]1CCN(CC)C1 ZINC001567683383 961399184 /nfs/dbraw/zinc/39/91/84/961399184.db2.gz VRGBVSQLKHHAJE-MRXNPFEDSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(C)C ZINC001567854835 961442953 /nfs/dbraw/zinc/44/29/53/961442953.db2.gz MHRNVQKUPCFQPS-HRCADAONSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccoc1C1CC1 ZINC001568671348 961625907 /nfs/dbraw/zinc/62/59/07/961625907.db2.gz PCMWXLRIFIKTSV-LLVKDONJSA-N 0 3 296.798 3.008 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCC2CCCC2)C1 ZINC001569628919 961811573 /nfs/dbraw/zinc/81/15/73/961811573.db2.gz XWBUAXHYSOAFHP-QGZVFWFLSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C(C)=C2CCCC2)C1 ZINC001569712404 961827423 /nfs/dbraw/zinc/82/74/23/961827423.db2.gz VACHLFLUGKQKKF-GOSISDBHSA-N 0 3 290.451 3.281 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1ccc(C)o1)C(C)C ZINC001571615168 962189609 /nfs/dbraw/zinc/18/96/09/962189609.db2.gz HZGTZESIEVNGOH-OAHLLOKOSA-N 0 3 292.423 3.046 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc2ccccc21 ZINC001574857753 962323462 /nfs/dbraw/zinc/32/34/62/962323462.db2.gz ZCXDOSYGKOJWAG-ZDUSSCGKSA-N 0 3 274.751 3.248 20 30 CGEDHN CC#CC[C@@H](N)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC001574962183 962327886 /nfs/dbraw/zinc/32/78/86/962327886.db2.gz GZCFETCIDKZJPM-HZPDHXFCSA-N 0 3 286.419 3.021 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC001574901502 962329533 /nfs/dbraw/zinc/32/95/33/962329533.db2.gz KLNAQNAUMOCIRR-HZPDHXFCSA-N 0 3 286.419 3.280 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@@H]1CCC ZINC001574908092 962330585 /nfs/dbraw/zinc/33/05/85/962330585.db2.gz CUCYWYMOAHMBNK-XHSDSOJGSA-N 0 3 280.456 3.393 20 30 CGEDHN CC[C@@H](CN1CCCC1)Nc1nc(C)c(C#N)cc1Cl ZINC000589688042 346807533 /nfs/dbraw/zinc/80/75/33/346807533.db2.gz RKSIJUALEHASPI-ZDUSSCGKSA-N 0 3 292.814 3.201 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H]1OC(F)F)c1cccc(C#N)c1 ZINC000337550366 214153052 /nfs/dbraw/zinc/15/30/52/214153052.db2.gz NXYXNWTWZILONC-BPNCWPANSA-N 0 3 280.318 3.369 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC000127803777 187333828 /nfs/dbraw/zinc/33/38/28/187333828.db2.gz CGFZIYJEMMAOFJ-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN CC(C)(NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000337695698 214221837 /nfs/dbraw/zinc/22/18/37/214221837.db2.gz XZLGCWOXNHLCOW-UHFFFAOYSA-N 0 3 293.370 3.022 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCS[C@H](c3ccccc3)C2)C1 ZINC000590161673 346833564 /nfs/dbraw/zinc/83/35/64/346833564.db2.gz GJLRNDFWTMLZMN-KBMXLJTQSA-N 0 3 272.417 3.469 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)CC1(C#N)CC1 ZINC000590308509 346841305 /nfs/dbraw/zinc/84/13/05/346841305.db2.gz WZNKYEHLCKZVCZ-UHFFFAOYSA-N 0 3 297.402 3.223 20 30 CGEDHN C[C@H]1CSC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000590653601 346859147 /nfs/dbraw/zinc/85/91/47/346859147.db2.gz ZZDUKPSGSJNKHA-ZANVPECISA-N 0 3 266.797 3.053 20 30 CGEDHN C=CCCC[C@H](C)NCc1cnnn1-c1ccccc1 ZINC000651748533 398281468 /nfs/dbraw/zinc/28/14/68/398281468.db2.gz PCAHIIRQEDQIEG-AWEZNQCLSA-N 0 3 270.380 3.102 20 30 CGEDHN CC[C@H](C[C@@H](C)CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000358577787 529420798 /nfs/dbraw/zinc/42/07/98/529420798.db2.gz VGPDTBGGDMWGLH-YRGRVCCFSA-N 0 3 278.371 3.145 20 30 CGEDHN CC[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000449238615 529447561 /nfs/dbraw/zinc/44/75/61/529447561.db2.gz GZFAPZDEHCKFSX-MRVWCRGKSA-N 0 3 276.355 3.306 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc2cnccc2c1 ZINC000590970446 346892044 /nfs/dbraw/zinc/89/20/44/346892044.db2.gz FGVHWPZCTLKQPI-UHFFFAOYSA-N 0 3 253.349 3.264 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc(Cl)s1 ZINC000347102791 529535220 /nfs/dbraw/zinc/53/52/20/529535220.db2.gz IJMLWXPHUMAENA-YUMQZZPRSA-N 0 3 256.758 3.128 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1cccc(C#N)c1 ZINC000591255919 346912168 /nfs/dbraw/zinc/91/21/68/346912168.db2.gz GQDLYHCYMIORCR-OUJBWJOFSA-N 0 3 250.292 3.253 20 30 CGEDHN CCOc1ccc(C[C@H](C)CNC[C@H](C#N)CCC#N)cc1 ZINC000591376431 346918183 /nfs/dbraw/zinc/91/81/83/346918183.db2.gz BWLSCZPTIVJFCJ-RDJZCZTQSA-N 0 3 299.418 3.297 20 30 CGEDHN C=C[C@@H](C)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000623445606 349811668 /nfs/dbraw/zinc/81/16/68/349811668.db2.gz YEEQVUDOSOYKCD-SECBINFHSA-N 0 3 259.271 3.378 20 30 CGEDHN C=CC(C)(C)CCNCc1cc(OC)ccc1OC ZINC000623592188 349843383 /nfs/dbraw/zinc/84/33/83/349843383.db2.gz AEWIDVRVMVYWTB-UHFFFAOYSA-N 0 3 263.381 3.396 20 30 CGEDHN C=CC(C)(C)CCNCc1ccc(OC)c(OC)c1OC ZINC000623592708 349843658 /nfs/dbraw/zinc/84/36/58/349843658.db2.gz YUHGLKLLJWWQGB-UHFFFAOYSA-N 0 3 293.407 3.404 20 30 CGEDHN C=CCOCCCNCc1csc(C(F)(F)F)c1 ZINC000623569594 349837683 /nfs/dbraw/zinc/83/76/83/349837683.db2.gz NLIBXMNGPUWDCT-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN CC(C)N(CC1(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592154445 346967759 /nfs/dbraw/zinc/96/77/59/346967759.db2.gz STTSAULUJKZTBL-SFHVURJKSA-N 0 3 297.446 3.275 20 30 CGEDHN C[C@@H]1CC2(CN1Cc1cccc(C#N)c1F)CCOCC2 ZINC000592185100 346970061 /nfs/dbraw/zinc/97/00/61/346970061.db2.gz VVXAMLWLYRNTHN-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000593032316 347030305 /nfs/dbraw/zinc/03/03/05/347030305.db2.gz XDCZFZCIQRBUCC-HGMXIMQMSA-N 0 3 285.347 3.135 20 30 CGEDHN N#Cc1cccc(OCCCN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593119364 347041880 /nfs/dbraw/zinc/04/18/80/347041880.db2.gz WJRHLWGUUKWGFK-OAHLLOKOSA-N 0 3 292.329 3.058 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@]2(CC2(F)F)C1 ZINC000593117980 347042308 /nfs/dbraw/zinc/04/23/08/347042308.db2.gz UOZFKOLUCDEXNS-FZMZJTMJSA-N 0 3 262.303 3.350 20 30 CGEDHN C[C@H](COCC1CC1)N[C@H](C)c1ccc(C#N)cc1 ZINC000593183356 347048960 /nfs/dbraw/zinc/04/89/60/347048960.db2.gz UXJWFRDYHBXDOS-CHWSQXEVSA-N 0 3 258.365 3.024 20 30 CGEDHN C=CCOCCN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000623957287 349926943 /nfs/dbraw/zinc/92/69/43/349926943.db2.gz DDLMOQDMSADPMW-AWEZNQCLSA-N 0 3 269.747 3.259 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2cc(CC)ccc2CC)CC1 ZINC000075365604 345503125 /nfs/dbraw/zinc/50/31/25/345503125.db2.gz ROQWGMKLQONMHG-UHFFFAOYSA-N 0 3 298.430 3.095 20 30 CGEDHN C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1ccc(C#N)cc1 ZINC000094078974 345894651 /nfs/dbraw/zinc/89/46/51/345894651.db2.gz KUXGIAFNQRPYQS-XIKOKIGWSA-N 0 3 277.371 3.479 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623996526 349940221 /nfs/dbraw/zinc/94/02/21/349940221.db2.gz JNYCQCKCYZGYLT-GDBMZVCRSA-N 0 3 299.418 3.065 20 30 CGEDHN Cc1noc(C)c1[C@H](C)CNCc1cc(C#N)cs1 ZINC000128587840 346042479 /nfs/dbraw/zinc/04/24/79/346042479.db2.gz ZTHSMUUDSROYAV-SECBINFHSA-N 0 3 275.377 3.118 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC000171716938 346210221 /nfs/dbraw/zinc/21/02/21/346210221.db2.gz UNUFBSIATSMJDY-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN Cc1cnccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000228654768 346314502 /nfs/dbraw/zinc/31/45/02/346314502.db2.gz YNYOOWASODWSAW-ZDUSSCGKSA-N 0 3 251.333 3.113 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCCC3)O2)cc1 ZINC000229274273 346317204 /nfs/dbraw/zinc/31/72/04/346317204.db2.gz PBPUADKRBGLQIF-MRXNPFEDSA-N 0 3 270.376 3.140 20 30 CGEDHN CC(C)(C#N)CCN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000276931838 346414940 /nfs/dbraw/zinc/41/49/40/346414940.db2.gz AKMWPPQERYTMPO-CABCVRRESA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCSCCN[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000279972177 346417264 /nfs/dbraw/zinc/41/72/64/346417264.db2.gz CZZZZXSCTIYKNU-AWEZNQCLSA-N 0 3 293.432 3.200 20 30 CGEDHN COC[C@@H](CC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC000593639831 347098475 /nfs/dbraw/zinc/09/84/75/347098475.db2.gz AHWOUDZVKIFWML-CQSZACIVSA-N 0 3 278.371 3.238 20 30 CGEDHN N#Cc1cc(CN(CCCO)Cc2ccccc2)ccc1F ZINC000269011893 232538963 /nfs/dbraw/zinc/53/89/63/232538963.db2.gz VJRYLLVFNGGHRB-UHFFFAOYSA-N 0 3 298.361 3.082 20 30 CGEDHN N#CC[C@H]1CCCN(C[C@@H]2CCOc3ccccc32)C1 ZINC000397656153 346583903 /nfs/dbraw/zinc/58/39/03/346583903.db2.gz FZVSAWNTAGXXBT-CABCVRRESA-N 0 3 270.376 3.178 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](c2ccccc2)C2CCCC2)C1=O ZINC000499537913 346634277 /nfs/dbraw/zinc/63/42/77/346634277.db2.gz KQMMDRAYQKCSSO-QZTJIDSGSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCCCCCNCc1csc([N+](=O)[O-])c1 ZINC000584790931 346714997 /nfs/dbraw/zinc/71/49/97/346714997.db2.gz YLGSVZIGMWPCKZ-UHFFFAOYSA-N 0 3 254.355 3.492 20 30 CGEDHN CN(C)Cc1ccccc1NC(=O)CCCCCC#N ZINC000588282496 346758160 /nfs/dbraw/zinc/75/81/60/346758160.db2.gz DVHSIQPTKBKOPB-UHFFFAOYSA-N 0 3 273.380 3.161 20 30 CGEDHN C[C@H](CCc1ccc(F)cc1F)NCC(C)(C)C#N ZINC000589174712 346787337 /nfs/dbraw/zinc/78/73/37/346787337.db2.gz XAEXPYCTADGXMC-LLVKDONJSA-N 0 3 266.335 3.425 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(CC)C(C)C)C(C)C ZINC000589188244 346788272 /nfs/dbraw/zinc/78/82/72/346788272.db2.gz CHNSGGYCKIIZSO-MRXNPFEDSA-N 0 3 295.471 3.125 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000589300235 346792873 /nfs/dbraw/zinc/79/28/73/346792873.db2.gz ILGUGSGZWLKPHN-ROUUACIJSA-N 0 3 296.414 3.400 20 30 CGEDHN C[C@@]1(c2ccccc2)CCN(Cc2ccc(C#N)cn2)C1 ZINC000593960642 347124002 /nfs/dbraw/zinc/12/40/02/347124002.db2.gz BAFKDBMKYNNALS-GOSISDBHSA-N 0 3 277.371 3.117 20 30 CGEDHN CC[C@@H](NCc1ccc(F)c(C#N)c1)[C@@H]1CCCCO1 ZINC000594045836 347144081 /nfs/dbraw/zinc/14/40/81/347144081.db2.gz ZVSVEOVZPWYGTR-CVEARBPZSA-N 0 3 276.355 3.135 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1OC)[C@@H]1CCCCO1 ZINC000594045508 347144299 /nfs/dbraw/zinc/14/42/99/347144299.db2.gz YXGJUAPCIQCMEL-CVEARBPZSA-N 0 3 288.391 3.004 20 30 CGEDHN C[C@H](CCC#N)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594059758 347146634 /nfs/dbraw/zinc/14/66/34/347146634.db2.gz ZZENMGQZJAIHRK-ZIAGYGMSSA-N 0 3 250.386 3.102 20 30 CGEDHN N#Cc1cc(F)ccc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594604385 347200945 /nfs/dbraw/zinc/20/09/45/347200945.db2.gz YUPRPVOUQRQHQI-JKSUJKDBSA-N 0 3 273.355 3.126 20 30 CGEDHN CCCCN(C(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594425435 347173771 /nfs/dbraw/zinc/17/37/71/347173771.db2.gz IXFZIWNAOTUSJE-MRXNPFEDSA-N 0 3 287.407 3.231 20 30 CGEDHN C[C@H](CCC1CCCCC1)NC(=O)[C@H](N)CCCCC#N ZINC000594447909 347174869 /nfs/dbraw/zinc/17/48/69/347174869.db2.gz XMGAFROHABSDBS-GDBMZVCRSA-N 0 3 293.455 3.263 20 30 CGEDHN C[C@H]1CC[C@H](NCc2ccc(C#N)cc2F)CS1 ZINC000594494510 347177999 /nfs/dbraw/zinc/17/79/99/347177999.db2.gz GXQHGKRTDSOOQV-GWCFXTLKSA-N 0 3 264.369 3.071 20 30 CGEDHN C[C@@H](NC[C@H](C)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000594510603 347183204 /nfs/dbraw/zinc/18/32/04/347183204.db2.gz AVVSBVLVWGXZHQ-QWHCGFSZSA-N 0 3 288.391 3.187 20 30 CGEDHN C[C@@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)[C@@H](C)O1 ZINC000594517280 347186464 /nfs/dbraw/zinc/18/64/64/347186464.db2.gz KDJQKGAREJHSOQ-XJKCOSOUSA-N 0 3 270.376 3.093 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@H]1CCCCO1 ZINC000594519762 347188276 /nfs/dbraw/zinc/18/82/76/347188276.db2.gz LFCOXBICWUQWER-ZIAGYGMSSA-N 0 3 264.394 3.057 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000594970234 347245565 /nfs/dbraw/zinc/24/55/65/347245565.db2.gz WEMBQNUMAUOGPC-JCNLHEQBSA-N 0 3 288.391 3.026 20 30 CGEDHN C[C@H](O)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000595101283 347284486 /nfs/dbraw/zinc/28/44/86/347284486.db2.gz CSVMZLXUPBCESB-MJXNMMHHSA-N 0 3 292.382 3.257 20 30 CGEDHN N#CC1(CC(=O)Nc2ccc3c(c2)CNC3)CCCCC1 ZINC000595252276 347285822 /nfs/dbraw/zinc/28/58/22/347285822.db2.gz CCJJMFDELWINOD-UHFFFAOYSA-N 0 3 283.375 3.092 20 30 CGEDHN CCN(CCc1ccc(C#N)cc1)Cc1ccoc1 ZINC000595308308 347290321 /nfs/dbraw/zinc/29/03/21/347290321.db2.gz GRNXFNNQUYNWRC-UHFFFAOYSA-N 0 3 254.333 3.216 20 30 CGEDHN Cc1nc([C@@H](C)NCCc2ccc(C#N)cc2)cs1 ZINC000595058203 347273518 /nfs/dbraw/zinc/27/35/18/347273518.db2.gz ZHFWTMYZWQACTK-LLVKDONJSA-N 0 3 271.389 3.217 20 30 CGEDHN COC[C@@H](NCC1(C#N)CCCCC1)C1CCCC1 ZINC000595092227 347281315 /nfs/dbraw/zinc/28/13/15/347281315.db2.gz ZPZGIRSGGSLANX-OAHLLOKOSA-N 0 3 264.413 3.255 20 30 CGEDHN CC(C)[C@H](O)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000595097132 347282465 /nfs/dbraw/zinc/28/24/65/347282465.db2.gz PUVCSVMFCZVUCJ-HPBDAGMYSA-N 0 3 286.419 3.417 20 30 CGEDHN COCC[C@H](c1ccccc1)N1CCC[C@@H](CC#N)C1 ZINC000595621505 347328790 /nfs/dbraw/zinc/32/87/90/347328790.db2.gz VTHIXWZUICFJOR-DOTOQJQBSA-N 0 3 272.392 3.390 20 30 CGEDHN COc1cncc(/C=C\CCN2CCC[C@@H](CC#N)C2)c1 ZINC000595622401 347329111 /nfs/dbraw/zinc/32/91/11/347329111.db2.gz ABZVGEMHTUWVPA-PRSOIBJXSA-N 0 3 285.391 3.119 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595659888 347334053 /nfs/dbraw/zinc/33/40/53/347334053.db2.gz QRZPNKOVYQDDGF-CYBMUJFWSA-N 0 3 285.347 3.255 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000595657904 347334474 /nfs/dbraw/zinc/33/44/74/347334474.db2.gz CFTFQUJHPBEELE-CYBMUJFWSA-N 0 3 291.366 3.400 20 30 CGEDHN COc1cccc([C@]2(C)CCN([C@@H]3CC[C@H](C#N)C3)C2)c1 ZINC000595771086 347353714 /nfs/dbraw/zinc/35/37/14/347353714.db2.gz ZNNBRSYVWCBSPK-YXJHDRRASA-N 0 3 284.403 3.351 20 30 CGEDHN CC[C@H](NCCc1ccc(C#N)cc1)c1c(C)noc1C ZINC000595430721 347303101 /nfs/dbraw/zinc/30/31/01/347303101.db2.gz KTJROOCIFXEKRL-INIZCTEOSA-N 0 3 283.375 3.447 20 30 CGEDHN Cc1nsc(N[C@@H]2CCN(C3CCCCC3)C2)c1C#N ZINC000596479599 347465032 /nfs/dbraw/zinc/46/50/32/347465032.db2.gz NVCIQUZCGBMJEO-GFCCVEGCSA-N 0 3 290.436 3.142 20 30 CGEDHN CCOc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000597174639 347544321 /nfs/dbraw/zinc/54/43/21/347544321.db2.gz SJKSOXCGBYULMK-CQSZACIVSA-N 0 3 258.365 3.211 20 30 CGEDHN CCOCCN(CC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596995065 347525507 /nfs/dbraw/zinc/52/55/07/347525507.db2.gz GORMIXKVNZTZEX-UHFFFAOYSA-N 0 3 272.392 3.100 20 30 CGEDHN C[C@H](Cc1ccc(O)cc1)NCC1(C#N)CCCCC1 ZINC000597215706 347555826 /nfs/dbraw/zinc/55/58/26/347555826.db2.gz LRBWQYNBPODTCS-CQSZACIVSA-N 0 3 272.392 3.387 20 30 CGEDHN C=CCCC(C)(C)NCc1cc(C(=O)OC)oc1C ZINC000597242774 347561651 /nfs/dbraw/zinc/56/16/51/347561651.db2.gz GQBCTWWEMWEEKL-UHFFFAOYSA-N 0 3 265.353 3.209 20 30 CGEDHN CC(C)(F)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000598199198 347634293 /nfs/dbraw/zinc/63/42/93/347634293.db2.gz NTJVILAEZWFVGC-CQSZACIVSA-N 0 3 276.355 3.013 20 30 CGEDHN C[C@@H]1CCN(C[C@H](O)CC(C)(C)C#N)[C@@H](c2ccco2)C1 ZINC000598594317 347668268 /nfs/dbraw/zinc/66/82/68/347668268.db2.gz FROQVICJEVQFIS-RBSFLKMASA-N 0 3 290.407 3.353 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCc2ccccc2C1(C)C ZINC000598601759 347669862 /nfs/dbraw/zinc/66/98/62/347669862.db2.gz VWSZNAGXWZLDKE-HNNXBMFYSA-N 0 3 286.419 3.081 20 30 CGEDHN CC1=C(c2ccco2)CN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598616846 347671619 /nfs/dbraw/zinc/67/16/19/347671619.db2.gz ZKBOXOFLIMBAFO-CQSZACIVSA-N 0 3 288.391 3.060 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000598628619 347673055 /nfs/dbraw/zinc/67/30/55/347673055.db2.gz QEPSVIXNXFUQSD-MAUKXSAKSA-N 0 3 286.419 3.202 20 30 CGEDHN COc1ccc(CN2C[C@@H]3CCCC[C@@]32C)cc1C#N ZINC000599669953 347763501 /nfs/dbraw/zinc/76/35/01/347763501.db2.gz GVOLOFYUBACNHK-RDJZCZTQSA-N 0 3 270.376 3.331 20 30 CGEDHN CC1(CN2CCc3c(CC#N)cccc3C2)CCC1 ZINC000599678478 347764752 /nfs/dbraw/zinc/76/47/52/347764752.db2.gz RHQQTKBKERCOJH-UHFFFAOYSA-N 0 3 254.377 3.301 20 30 CGEDHN CO[C@@H](CN1CCc2c(CC#N)cccc2C1)C1CCCC1 ZINC000599679011 347764886 /nfs/dbraw/zinc/76/48/86/347764886.db2.gz VAWYZYUIHGQWIK-IBGZPJMESA-N 0 3 298.430 3.316 20 30 CGEDHN C/C=C\C[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000599691182 347766950 /nfs/dbraw/zinc/76/69/50/347766950.db2.gz QXNLLTKTPLHESV-PYLYLYNFSA-N 0 3 255.365 3.131 20 30 CGEDHN C/C=C/C[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000599691181 347766979 /nfs/dbraw/zinc/76/69/79/347766979.db2.gz QXNLLTKTPLHESV-HSWBROFVSA-N 0 3 255.365 3.131 20 30 CGEDHN Cc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C#N ZINC000599331081 347736219 /nfs/dbraw/zinc/73/62/19/347736219.db2.gz GHOPNCMFRGTQBH-MAUKXSAKSA-N 0 3 294.402 3.146 20 30 CGEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)s1 ZINC000599359239 347739589 /nfs/dbraw/zinc/73/95/89/347739589.db2.gz MAULVIIUCGROBS-WDEREUQCSA-N 0 3 298.839 3.497 20 30 CGEDHN Cc1ccc(CN2CCSC[C@H](C)C2)cc1C#N ZINC000599384769 347741683 /nfs/dbraw/zinc/74/16/83/347741683.db2.gz SPJWHCUKHGFXGZ-GFCCVEGCSA-N 0 3 260.406 3.052 20 30 CGEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512776 347749326 /nfs/dbraw/zinc/74/93/26/347749326.db2.gz MQVHMJZIEVWQMD-BETUJISGSA-N 0 3 294.345 3.160 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552123 347753332 /nfs/dbraw/zinc/75/33/32/347753332.db2.gz FZLYOZLOJVUCCP-CABCVRRESA-N 0 3 258.390 3.028 20 30 CGEDHN C[C@H]1CN(CCC(C)(C)C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599580890 347755865 /nfs/dbraw/zinc/75/58/65/347755865.db2.gz HFDFXHOFZIBQLO-UONOGXRCSA-N 0 3 294.439 3.226 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(O)cc3)C2)c(F)c1 ZINC000600213410 347794300 /nfs/dbraw/zinc/79/43/00/347794300.db2.gz DPUZKDAXWSMVLD-OAHLLOKOSA-N 0 3 296.345 3.392 20 30 CGEDHN CC[C@H](CCc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000600606731 347813691 /nfs/dbraw/zinc/81/36/91/347813691.db2.gz QLZSECZVLBRSNX-IAGOWNOFSA-N 0 3 269.392 3.431 20 30 CGEDHN N#Cc1cc(-c2ccc(C[C@@H]3CC[NH2+]C3)cc2)ccc1[O-] ZINC000600780789 347834849 /nfs/dbraw/zinc/83/48/49/347834849.db2.gz VSHBLGLFWNAVBL-AWEZNQCLSA-N 0 3 278.355 3.083 20 30 CGEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(F)cc2C#N)cc1 ZINC000600789444 347836422 /nfs/dbraw/zinc/83/64/22/347836422.db2.gz QPGZRUOJKKMVNV-KPZWWZAWSA-N 0 3 296.345 3.414 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000601173674 347877596 /nfs/dbraw/zinc/87/75/96/347877596.db2.gz HDHGKVRTPVEVEV-INIZCTEOSA-N 0 3 294.402 3.309 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000601287404 347888884 /nfs/dbraw/zinc/88/88/84/347888884.db2.gz IHLZLTFBRBGHJR-SRMUXQRQSA-N 0 3 290.794 3.452 20 30 CGEDHN N#CC1(C[C@H](O)CN2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000601957931 347929197 /nfs/dbraw/zinc/92/91/97/347929197.db2.gz KICJXEDINLMTST-DLBZAZTESA-N 0 3 296.414 3.268 20 30 CGEDHN COCC(C)(C)CCCNCc1cccc(F)c1C#N ZINC000602018232 347933399 /nfs/dbraw/zinc/93/33/99/347933399.db2.gz WPNYGEOXHPRCIK-UHFFFAOYSA-N 0 3 278.371 3.240 20 30 CGEDHN N#Cc1c(F)cccc1CNC1CCC(OC(F)F)CC1 ZINC000602024340 347934300 /nfs/dbraw/zinc/93/43/00/347934300.db2.gz LHXWMVCGNZEQNF-UHFFFAOYSA-N 0 3 298.308 3.337 20 30 CGEDHN C[C@@H](CCC#N)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602439739 347958221 /nfs/dbraw/zinc/95/82/21/347958221.db2.gz MNCFSWPBZUAMID-ZDUSSCGKSA-N 0 3 287.363 3.499 20 30 CGEDHN CCN(Cc1ccc(=O)[nH]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444795 347958885 /nfs/dbraw/zinc/95/88/85/347958885.db2.gz QEDMOFFAGVMNNA-CYBMUJFWSA-N 0 3 281.359 3.242 20 30 CGEDHN C=CCN(CCC[C@H]1CCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000602452200 347960390 /nfs/dbraw/zinc/96/03/90/347960390.db2.gz HNURBBWBRYSXCZ-INIZCTEOSA-N 0 3 290.363 3.152 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(I)s1 ZINC000602567148 347984351 /nfs/dbraw/zinc/98/43/51/347984351.db2.gz IKHWSZYPGMBTBN-SSDOTTSWSA-N 0 3 293.173 3.017 20 30 CGEDHN Cc1ccccc1C[C@@H](C)N(C)Cc1cccc(C#N)n1 ZINC000602636542 347997805 /nfs/dbraw/zinc/99/78/05/347997805.db2.gz IKWCWDRFDGQQFY-OAHLLOKOSA-N 0 3 279.387 3.325 20 30 CGEDHN C[C@H](CCC#N)CNCc1c(F)cc(F)c(F)c1F ZINC000602638925 347998440 /nfs/dbraw/zinc/99/84/40/347998440.db2.gz HNUSTDMCLKUJGU-MRVPVSSYSA-N 0 3 274.261 3.272 20 30 CGEDHN N#CC1(CN[C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602644642 347999949 /nfs/dbraw/zinc/99/99/49/347999949.db2.gz ZSOWPNNLRSLJRV-AEFFLSMTSA-N 0 3 295.430 3.248 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@@H]1CCc2cc(C#N)ccc21)OC ZINC000602642472 348000035 /nfs/dbraw/zinc/00/00/35/348000035.db2.gz YEIQMVSTKXVFPH-JCURWCKSSA-N 0 3 272.392 3.196 20 30 CGEDHN CCN(CC1(CC#N)CC1)[C@H](C)c1cccc(O)c1 ZINC000602781439 348028554 /nfs/dbraw/zinc/02/85/54/348028554.db2.gz XVMVXKBEZSPIKN-CYBMUJFWSA-N 0 3 258.365 3.469 20 30 CGEDHN C[C@H](NC1CCC(C#N)CC1)c1c(F)cncc1F ZINC000602654953 348002279 /nfs/dbraw/zinc/00/22/79/348002279.db2.gz MDQOFFOWRUWKJC-WHXUTIOJSA-N 0 3 265.307 3.093 20 30 CGEDHN C[C@H](CCC#N)CN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000602673162 348005920 /nfs/dbraw/zinc/00/59/20/348005920.db2.gz OXSQQMACLCPEOK-CABCVRRESA-N 0 3 289.398 3.276 20 30 CGEDHN N#CC1(CNC[C@H]2CCN(c3ccccc3)C2)CCCC1 ZINC000602699722 348011948 /nfs/dbraw/zinc/01/19/48/348011948.db2.gz MRHXXWQXEVXERD-MRXNPFEDSA-N 0 3 283.419 3.186 20 30 CGEDHN C[C@@H](CCC#N)CN[C@H]1CCc2ccccc2-n2ccnc21 ZINC000602714112 348015673 /nfs/dbraw/zinc/01/56/73/348015673.db2.gz GGXGACUQOIHWRL-HOCLYGCPSA-N 0 3 294.402 3.389 20 30 CGEDHN COc1cc(C[C@H](C)NCC2(C#N)CCCCC2)ccn1 ZINC000602719276 348016428 /nfs/dbraw/zinc/01/64/28/348016428.db2.gz NZQSQEIJHNABJQ-AWEZNQCLSA-N 0 3 287.407 3.085 20 30 CGEDHN N#CCC1(CN2CCS[C@@H]3CCCC[C@H]32)CC1 ZINC000602786250 348029643 /nfs/dbraw/zinc/02/96/43/348029643.db2.gz FEBGQQWXSYNCLV-CHWSQXEVSA-N 0 3 250.411 3.040 20 30 CGEDHN N#CCC1(CN2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000602806644 348032266 /nfs/dbraw/zinc/03/22/66/348032266.db2.gz NSYYPRCMLMGILT-OAHLLOKOSA-N 0 3 270.376 3.081 20 30 CGEDHN N#CCC1(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000602917963 348043615 /nfs/dbraw/zinc/04/36/15/348043615.db2.gz KBAIYMMEYYCBSD-CABCVRRESA-N 0 3 290.794 3.453 20 30 CGEDHN N#Cc1cccc(OCCN2CCC(CCF)CC2)c1 ZINC000602948252 348046817 /nfs/dbraw/zinc/04/68/17/348046817.db2.gz BTILVGCLGIBBIN-UHFFFAOYSA-N 0 3 276.355 3.009 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCC3)CC2)nc1 ZINC000603000057 348053588 /nfs/dbraw/zinc/05/35/88/348053588.db2.gz SUTTVAYROOJSCI-MRXNPFEDSA-N 0 3 269.392 3.355 20 30 CGEDHN CC#CCN1CCC(CCc2ccc(O)cc2)CC1 ZINC000607726117 348258501 /nfs/dbraw/zinc/25/85/01/348258501.db2.gz HYSZVBXAZIMPKQ-UHFFFAOYSA-N 0 3 257.377 3.060 20 30 CGEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)c2ccccc2)cc1 ZINC000609620042 348348631 /nfs/dbraw/zinc/34/86/31/348348631.db2.gz KMTPEDANTVOALG-GUYCJALGSA-N 0 3 294.354 3.060 20 30 CGEDHN N#Cc1cccc(OCCN2CCCc3sccc3C2)c1 ZINC000609323446 348342148 /nfs/dbraw/zinc/34/21/48/348342148.db2.gz MDNYNIVVZAFBDW-UHFFFAOYSA-N 0 3 298.411 3.447 20 30 CGEDHN N#CCN1CCC(NCc2cccc(Cl)c2Cl)CC1 ZINC000609334958 348342191 /nfs/dbraw/zinc/34/21/91/348342191.db2.gz MXGQWRIVIWKLAY-UHFFFAOYSA-N 0 3 298.217 3.071 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCc3ccccc3C2)o1 ZINC000610271091 348369578 /nfs/dbraw/zinc/36/95/78/348369578.db2.gz ZECWIRKLPIFZDX-ZDUSSCGKSA-N 0 3 266.344 3.046 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610422382 348382446 /nfs/dbraw/zinc/38/24/46/348382446.db2.gz QOHQJDTZNXBZAX-GXTWGEPZSA-N 0 3 281.359 3.034 20 30 CGEDHN CC[C@H](CN1CCCC1)Nc1c(F)cc(C#N)cc1F ZINC000610715980 348399039 /nfs/dbraw/zinc/39/90/39/348399039.db2.gz SIAITLNITWMPBN-GFCCVEGCSA-N 0 3 279.334 3.123 20 30 CGEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccc(F)cc1Cl ZINC000610812675 348404603 /nfs/dbraw/zinc/40/46/03/348404603.db2.gz HWBFLZFQNMCTAH-NSHDSACASA-N 0 3 295.789 3.118 20 30 CGEDHN Cc1ccc2ccccc2c1CN1CCN(CCC#N)CC1 ZINC000611174104 348426369 /nfs/dbraw/zinc/42/63/69/348426369.db2.gz WAAGSDXYFLVDOX-UHFFFAOYSA-N 0 3 293.414 3.180 20 30 CGEDHN COc1ccc(C2(CNC[C@@H](C#N)CCC#N)CCC2)cc1 ZINC000612051947 348488766 /nfs/dbraw/zinc/48/87/66/348488766.db2.gz YOAWMAVYCASYFK-OAHLLOKOSA-N 0 3 297.402 3.150 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(CO)c1 ZINC000611392030 348445390 /nfs/dbraw/zinc/44/53/90/348445390.db2.gz IQMNWHPYBNYFJU-LJQANCHMSA-N 0 3 292.382 3.218 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@H](c1cccs1)N(C)C ZINC000611399134 348446972 /nfs/dbraw/zinc/44/69/72/348446972.db2.gz PXEJTRHYZLFTKN-CYBMUJFWSA-N 0 3 286.404 3.038 20 30 CGEDHN CC(C)(C#N)CN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000612588225 348531792 /nfs/dbraw/zinc/53/17/92/348531792.db2.gz SSQBIYZJBOPWEZ-INIZCTEOSA-N 0 3 285.435 3.179 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc3cccnc3c2)C1 ZINC000613661467 348626157 /nfs/dbraw/zinc/62/61/57/348626157.db2.gz PQRKUHQHZBBVIW-IUODEOHRSA-N 0 3 251.333 3.017 20 30 CGEDHN CCN1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1C ZINC000613886240 348638264 /nfs/dbraw/zinc/63/82/64/348638264.db2.gz UUBYZZGEYSFXSE-LLVKDONJSA-N 0 3 297.324 3.107 20 30 CGEDHN Cc1ccncc1[C@H](C)NCc1ccc(C#N)cc1C ZINC000614406153 348674802 /nfs/dbraw/zinc/67/48/02/348674802.db2.gz SFJSQGHEMHFFKI-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN CC(C)(CC(F)(F)F)NCc1cccc(C#N)c1 ZINC000614822438 348695029 /nfs/dbraw/zinc/69/50/29/348695029.db2.gz MDBHBTDQMDUHOB-UHFFFAOYSA-N 0 3 256.271 3.379 20 30 CGEDHN C=CCN(C(=O)[C@H](C)NC(C)(C)CC)c1ccccc1 ZINC000615001198 348705974 /nfs/dbraw/zinc/70/59/74/348705974.db2.gz BCAWPLBENMYMLG-AWEZNQCLSA-N 0 3 274.408 3.372 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000617781940 349010627 /nfs/dbraw/zinc/01/06/27/349010627.db2.gz VVJXYKACEHLESC-WBVHZDCISA-N 0 3 290.451 3.208 20 30 CGEDHN Cc1ccncc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000619431010 349249538 /nfs/dbraw/zinc/24/95/38/349249538.db2.gz FZLGUSHBUWPYQP-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccccc1-n1cccn1 ZINC000619535093 349258020 /nfs/dbraw/zinc/25/80/20/349258020.db2.gz AZSQBQXOEIVVGL-AWEZNQCLSA-N 0 3 280.375 3.217 20 30 CGEDHN N#CC1(CCCN2CCC[C@@H]2c2ccccn2)CCOCC1 ZINC000619620729 349262778 /nfs/dbraw/zinc/26/27/78/349262778.db2.gz QEQRJOMFBXIQEF-QGZVFWFLSA-N 0 3 299.418 3.319 20 30 CGEDHN CC1(C)SC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000619823331 349285987 /nfs/dbraw/zinc/28/59/87/349285987.db2.gz REAWKBFFTDVOGD-HUUCEWRRSA-N 0 3 272.417 3.419 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC000620310171 349355708 /nfs/dbraw/zinc/35/57/08/349355708.db2.gz WPHTYLSOBPJNIU-CALCHBBNSA-N 0 3 284.403 3.071 20 30 CGEDHN C[C@H](CN1CCCCCC1)NCc1ccc(C#N)cc1F ZINC000359145949 233268947 /nfs/dbraw/zinc/26/89/47/233268947.db2.gz QVFQKNPIRTUMIU-CQSZACIVSA-N 0 3 289.398 3.051 20 30 CGEDHN C=CCOCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008077 350245988 /nfs/dbraw/zinc/24/59/88/350245988.db2.gz HRWOHBZFJBHPRY-UHFFFAOYSA-N 0 3 285.309 3.266 20 30 CGEDHN C=CCN(CC=C)[C@H](CNCc1oc(C)nc1C)C(C)C ZINC000628202014 350438544 /nfs/dbraw/zinc/43/85/44/350438544.db2.gz DYDSYKQWORMNRR-MRXNPFEDSA-N 0 3 291.439 3.080 20 30 CGEDHN C=CC(C)(C)CCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000628314784 350496489 /nfs/dbraw/zinc/49/64/89/350496489.db2.gz MVTTWLBFJGNBQT-HNNXBMFYSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCOCCNCc1ccc(CC(F)(F)F)cc1 ZINC000631110742 350956860 /nfs/dbraw/zinc/95/68/60/350956860.db2.gz OHEBSTKJUXSREW-UHFFFAOYSA-N 0 3 273.298 3.084 20 30 CGEDHN CSCC[C@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000122920387 187060217 /nfs/dbraw/zinc/06/02/17/187060217.db2.gz AXNWCJKZUXJGCW-ZDUSSCGKSA-N 0 3 265.397 3.251 20 30 CGEDHN Cn1cc(CN2CCC(c3ccc(F)cc3)CC2)cc1C#N ZINC000365266176 234092977 /nfs/dbraw/zinc/09/29/77/234092977.db2.gz LZQXXYOUMVPUBY-UHFFFAOYSA-N 0 3 297.377 3.415 20 30 CGEDHN CN(C)[C@@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000135669640 187847445 /nfs/dbraw/zinc/84/74/45/187847445.db2.gz JWTQCKLFYUPHJC-INIZCTEOSA-N 0 3 285.416 3.012 20 30 CGEDHN CC#CCCN1CCC(Nc2cccc(C)c2)CC1 ZINC000156652910 188274476 /nfs/dbraw/zinc/27/44/76/188274476.db2.gz ITLXMERITVRIDG-UHFFFAOYSA-N 0 3 256.393 3.285 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCC1=CCCOC1 ZINC000334293215 283192484 /nfs/dbraw/zinc/19/24/84/283192484.db2.gz PNKKAYAZVGVESD-GOSISDBHSA-N 0 3 282.387 3.262 20 30 CGEDHN Cc1cccnc1CCCNCc1ccc(C#N)cc1F ZINC000294720720 199151224 /nfs/dbraw/zinc/15/12/24/199151224.db2.gz CMUGXEMNIIAPCR-UHFFFAOYSA-N 0 3 283.350 3.123 20 30 CGEDHN CCC[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000297445956 200192631 /nfs/dbraw/zinc/19/26/31/200192631.db2.gz WOOCANVLESMMKZ-FZMZJTMJSA-N 0 3 264.344 3.163 20 30 CGEDHN COCc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176945014 189015889 /nfs/dbraw/zinc/01/58/89/189015889.db2.gz RZTBBSPIEHBYCK-UHFFFAOYSA-N 0 3 272.373 3.056 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)c1ccccc1 ZINC000176947847 189016596 /nfs/dbraw/zinc/01/65/96/189016596.db2.gz DWMKQKCCQCTYPK-ZDUSSCGKSA-N 0 3 285.416 3.234 20 30 CGEDHN Cc1ccc([C@H](CNc2cc(C)nc(C#N)c2)N(C)C)cc1 ZINC000341923618 216154254 /nfs/dbraw/zinc/15/42/54/216154254.db2.gz AUUVBHATDPWAPQ-SFHVURJKSA-N 0 3 294.402 3.285 20 30 CGEDHN COc1ccc(CNCc2cccc(C#N)c2)c(C)c1OC ZINC000342089329 216215255 /nfs/dbraw/zinc/21/52/55/216215255.db2.gz UFTPCZVBMXSFQX-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C=C(C)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179760415 189219074 /nfs/dbraw/zinc/21/90/74/189219074.db2.gz LLJASEXPZPGZHF-MRXNPFEDSA-N 0 3 259.349 3.075 20 30 CGEDHN N#Cc1csc(CNC2CC(C(F)(F)F)C2)c1 ZINC000342297953 216299648 /nfs/dbraw/zinc/29/96/48/216299648.db2.gz KKPXWLRKBRPIIQ-UHFFFAOYSA-N 0 3 260.284 3.050 20 30 CGEDHN C[C@H](NC[C@H](O)C1CCCCC1)c1ccc(C#N)cc1 ZINC000181674281 189303675 /nfs/dbraw/zinc/30/36/75/189303675.db2.gz MSLOQOWRBMRCIP-GUYCJALGSA-N 0 3 272.392 3.150 20 30 CGEDHN CCC(CC)[C@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000181738122 189305407 /nfs/dbraw/zinc/30/54/07/189305407.db2.gz FOEGFQQZUABHFP-BLLLJJGKSA-N 0 3 260.381 3.006 20 30 CGEDHN C[C@@]12CN(Cc3ccc(C#N)c(F)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368962 240284129 /nfs/dbraw/zinc/28/41/29/240284129.db2.gz MUSHTZJSJSDRHC-VKZRIFJHSA-N 0 3 282.362 3.341 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000452010331 240393335 /nfs/dbraw/zinc/39/33/35/240393335.db2.gz FAWSUIMJMJVVHM-APHBMKBZSA-N 0 3 258.365 3.166 20 30 CGEDHN C=CCC(CC=C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000121110814 370829426 /nfs/dbraw/zinc/82/94/26/370829426.db2.gz FUXOKIRXJKFAGE-KRWDZBQOSA-N 0 3 286.419 3.174 20 30 CGEDHN N#Cc1ccc(CNC2CCC(C(F)F)CC2)o1 ZINC000459715738 242190014 /nfs/dbraw/zinc/19/00/14/242190014.db2.gz QWCJBNFTWDSXNC-UHFFFAOYSA-N 0 3 254.280 3.065 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1CC#Cc1ccccc1 ZINC000124302201 370923738 /nfs/dbraw/zinc/92/37/38/370923738.db2.gz YJBPCLOUDRIIGR-WMZOPIPTSA-N 0 3 271.404 3.054 20 30 CGEDHN CCN(CC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000019846876 368773052 /nfs/dbraw/zinc/77/30/52/368773052.db2.gz SOEVCMOVEBNQEB-UHFFFAOYSA-N 0 3 285.391 3.151 20 30 CGEDHN Cc1ccc2c(CCNC[C@@H](C#N)CCC#N)cn(C)c2c1 ZINC000574261213 335004836 /nfs/dbraw/zinc/00/48/36/335004836.db2.gz KKJXAPGVIYSSJF-OAHLLOKOSA-N 0 3 294.402 3.062 20 30 CGEDHN CC(C)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000036190327 369014689 /nfs/dbraw/zinc/01/46/89/369014689.db2.gz UDCKRJFZUMSABN-UHFFFAOYSA-N 0 3 297.324 3.107 20 30 CGEDHN C=CCN[C@H](C)c1ccc(F)c(Br)c1 ZINC000037185037 369074473 /nfs/dbraw/zinc/07/44/73/369074473.db2.gz BSEGLILHRRDKRR-MRVPVSSYSA-N 0 3 258.134 3.425 20 30 CGEDHN C[C@@H](CCc1ccco1)NCc1ccc(C#N)cc1F ZINC000049566488 369410875 /nfs/dbraw/zinc/41/08/75/369410875.db2.gz QWFZZIGGKMRTGA-LBPRGKRZSA-N 0 3 272.323 3.401 20 30 CGEDHN C=C(C)CNCc1cc(Br)ccc1F ZINC000051753437 369454911 /nfs/dbraw/zinc/45/49/11/369454911.db2.gz PNQMXADIPCYVSM-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN N#CCCCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128713291 370965246 /nfs/dbraw/zinc/96/52/46/370965246.db2.gz UMNVLEDVHVSLLF-CYBMUJFWSA-N 0 3 278.783 3.487 20 30 CGEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000055386537 369516463 /nfs/dbraw/zinc/51/64/63/369516463.db2.gz UIGIHLFPKPHJDB-BBRMVZONSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCN(CCc1cnn(CC)c1)Cc1ccccc1 ZINC000276354127 193297664 /nfs/dbraw/zinc/29/76/64/193297664.db2.gz XBJFVLQGPAQPMF-UHFFFAOYSA-N 0 3 269.392 3.134 20 30 CGEDHN C=CCN(CCc1ccccn1)Cc1cccs1 ZINC000060942695 369594453 /nfs/dbraw/zinc/59/44/53/369594453.db2.gz KPTVEMMSSIVYDX-UHFFFAOYSA-N 0 3 258.390 3.374 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000090883776 370069612 /nfs/dbraw/zinc/06/96/12/370069612.db2.gz FSKIDYFVSYIADP-OAHLLOKOSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CCCN1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000091980403 370084564 /nfs/dbraw/zinc/08/45/64/370084564.db2.gz OTXTZTAOWBJJQY-CQSZACIVSA-N 0 3 262.372 3.080 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(SCC)cc1 ZINC000103499901 370331178 /nfs/dbraw/zinc/33/11/78/370331178.db2.gz FVSBUMUCIDGXAN-STQMWFEESA-N 0 3 292.448 3.140 20 30 CGEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)C(C)(C)C ZINC000512659090 245044918 /nfs/dbraw/zinc/04/49/18/245044918.db2.gz CTTKGRRYDVJNRX-IAQYHMDHSA-N 0 3 278.371 3.409 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C3CC3)C2)c(F)c1 ZINC000344000196 217011109 /nfs/dbraw/zinc/01/11/09/217011109.db2.gz XAZQZDPCSQDDAT-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN CC(C)[C@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000117348637 370589026 /nfs/dbraw/zinc/58/90/26/370589026.db2.gz HRAUIZLWEVEGQR-MRXNPFEDSA-N 0 3 285.391 3.007 20 30 CGEDHN CC(C)C[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000130334544 371025787 /nfs/dbraw/zinc/02/57/87/371025787.db2.gz VZBNBDUCLXAPHC-INIZCTEOSA-N 0 3 285.391 3.007 20 30 CGEDHN N#Cc1ccc(CN2CCC(C3CCOCC3)CC2)s1 ZINC000131472300 371110530 /nfs/dbraw/zinc/11/05/30/371110530.db2.gz OVZHUGCVODEMMW-UHFFFAOYSA-N 0 3 290.432 3.258 20 30 CGEDHN C=CCCN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000132394598 371172623 /nfs/dbraw/zinc/17/26/23/371172623.db2.gz FZQMFNQYOSNMLI-HNNXBMFYSA-N 0 3 261.365 3.417 20 30 CGEDHN C=CCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000132780239 371201909 /nfs/dbraw/zinc/20/19/09/371201909.db2.gz KFPKXPAYOIQPQE-AWEZNQCLSA-N 0 3 259.349 3.171 20 30 CGEDHN C[C@H](NCCCC1(O)CCC1)c1ccc(C#N)c(F)c1 ZINC000421854760 371677157 /nfs/dbraw/zinc/67/71/57/371677157.db2.gz KYZBRNPIJZQLQL-LBPRGKRZSA-N 0 3 276.355 3.043 20 30 CGEDHN C[C@@H](NCCCC1(O)CCC1)c1ccc(C#N)c(F)c1 ZINC000421854758 371677755 /nfs/dbraw/zinc/67/77/55/371677755.db2.gz KYZBRNPIJZQLQL-GFCCVEGCSA-N 0 3 276.355 3.043 20 30 CGEDHN C[C@@H](NCCCC1(O)CCC1)c1ccc(C#N)cc1F ZINC000421865969 371688832 /nfs/dbraw/zinc/68/88/32/371688832.db2.gz ZHRFXKUMVQQZRK-GFCCVEGCSA-N 0 3 276.355 3.043 20 30 CGEDHN CC[C@@H](C)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000337323430 214006529 /nfs/dbraw/zinc/00/65/29/214006529.db2.gz SHEKRVYGJZXFKT-CABCVRRESA-N 0 3 271.408 3.035 20 30 CGEDHN N#Cc1c(CN2CC[C@H](C3CC3)C2)cn2ccccc12 ZINC000344043464 217026462 /nfs/dbraw/zinc/02/64/62/217026462.db2.gz ZUNACSGAVZAOSN-AWEZNQCLSA-N 0 3 265.360 3.043 20 30 CGEDHN CC(C)(C)OC(=O)[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000156581630 371986098 /nfs/dbraw/zinc/98/60/98/371986098.db2.gz WFWHMCWQMJEZOZ-AWEZNQCLSA-N 0 3 294.439 3.370 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000344188942 217091341 /nfs/dbraw/zinc/09/13/41/217091341.db2.gz LYYVIPJNTTXPOW-GDBMZVCRSA-N 0 3 295.386 3.076 20 30 CGEDHN C=C(C)C(C)(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000424620885 372088787 /nfs/dbraw/zinc/08/87/87/372088787.db2.gz AALLNWDWBWPKKQ-UHFFFAOYSA-N 0 3 290.407 3.168 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1cc(-n2ccnc2)cs1 ZINC000426559770 372164405 /nfs/dbraw/zinc/16/44/05/372164405.db2.gz NGEZUUVGXMEEGX-CYBMUJFWSA-N 0 3 273.405 3.474 20 30 CGEDHN N#Cc1csc(CNCCCNc2ccccc2F)c1 ZINC000344278415 217129896 /nfs/dbraw/zinc/12/98/96/217129896.db2.gz UGAHCSLYCBKEFI-UHFFFAOYSA-N 0 3 289.379 3.351 20 30 CGEDHN C=CCN1CC[C@H](N(C(C)C)[C@H](C)c2ccccc2)C1=O ZINC000428864313 372274027 /nfs/dbraw/zinc/27/40/27/372274027.db2.gz SVJWNFZQIOEDJE-WBVHZDCISA-N 0 3 286.419 3.245 20 30 CGEDHN N#CCC1(CNCc2ccc(Br)c(F)c2)CC1 ZINC000430024407 372381094 /nfs/dbraw/zinc/38/10/94/372381094.db2.gz ZWMXJODUKODCAF-UHFFFAOYSA-N 0 3 297.171 3.372 20 30 CGEDHN N#CCC1(CNCc2cc3cc(F)ccc3o2)CC1 ZINC000430022656 372381179 /nfs/dbraw/zinc/38/11/79/372381179.db2.gz LZSSIERPEMFIEZ-UHFFFAOYSA-N 0 3 258.296 3.355 20 30 CGEDHN N#CCC1(CNCc2ccccc2OCC2CC2)CC1 ZINC000430045150 372382985 /nfs/dbraw/zinc/38/29/85/372382985.db2.gz XNVWWLMWZRIJNC-UHFFFAOYSA-N 0 3 270.376 3.259 20 30 CGEDHN COCC1(C#N)CCN(Cc2ccc3c(c2)CCCC3)CC1 ZINC000430059320 372383358 /nfs/dbraw/zinc/38/33/58/372383358.db2.gz ITQDAJZETAMBIM-UHFFFAOYSA-N 0 3 298.430 3.318 20 30 CGEDHN C[C@H](NC[C@@H]1CSCCS1)c1cccc(C#N)c1 ZINC000164607927 372526672 /nfs/dbraw/zinc/52/66/72/372526672.db2.gz TYZGBJGNXPVCIY-SMDDNHRTSA-N 0 3 278.446 3.057 20 30 CGEDHN C=C[C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433286289 372585573 /nfs/dbraw/zinc/58/55/73/372585573.db2.gz JFWPONDIRQSFFB-HZMBPMFUSA-N 0 3 260.337 3.481 20 30 CGEDHN C[C@H](NCc1ccc(C#N)s1)[C@@H]1COc2ccccc21 ZINC000169135854 372624967 /nfs/dbraw/zinc/62/49/67/372624967.db2.gz BHEBSCYQKKWOML-NHYWBVRUSA-N 0 3 284.384 3.274 20 30 CGEDHN C=CCN1CCC(N=Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000171647840 372800439 /nfs/dbraw/zinc/80/04/39/372800439.db2.gz BTFLIFWUEMWVRA-CPNJWEJPSA-N 0 3 295.386 3.010 20 30 CGEDHN C=CCc1cc(CN2CCC=C(C)C2)cc(OC)c1O ZINC000437351059 372846517 /nfs/dbraw/zinc/84/65/17/372846517.db2.gz YKAKYMDTRUTNEB-UHFFFAOYSA-N 0 3 273.376 3.281 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437268852 372846880 /nfs/dbraw/zinc/84/68/80/372846880.db2.gz NNQMBCNMIWXFIA-INNHCVQGSA-N 0 3 283.158 3.125 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2cccc(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000295837611 372928864 /nfs/dbraw/zinc/92/88/64/372928864.db2.gz CTSXWBLHANMMQB-OAGGEKHMSA-N 0 3 289.806 3.095 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H]1Cc1ccccc1 ZINC000438481880 372962504 /nfs/dbraw/zinc/96/25/04/372962504.db2.gz ZAZICVNILDZBSA-GOSISDBHSA-N 0 3 292.382 3.384 20 30 CGEDHN C=CCCC[C@H](C)NCc1cc(C(F)(F)F)n[nH]1 ZINC000440621513 372988689 /nfs/dbraw/zinc/98/86/89/372988689.db2.gz YNSYSFFKRVMHMF-VIFPVBQESA-N 0 3 261.291 3.263 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000442647819 373060843 /nfs/dbraw/zinc/06/08/43/373060843.db2.gz MAFHYEIEDFUBQU-BZUAXINKSA-N 0 3 287.407 3.088 20 30 CGEDHN N#Cc1c(CN2CCCC23CCC3)cn2ccccc12 ZINC000444778850 373272437 /nfs/dbraw/zinc/27/24/37/373272437.db2.gz AISKLTRDTXBNOI-UHFFFAOYSA-N 0 3 265.360 3.329 20 30 CGEDHN CCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1C ZINC000444677836 373232787 /nfs/dbraw/zinc/23/27/87/373232787.db2.gz QIALXTULFNEKIK-WMLDXEAASA-N 0 3 299.418 3.397 20 30 CGEDHN C=CC[C@@H]1N(Cc2cnc(C)cn2)CCCC1(C)C ZINC000444772515 373267191 /nfs/dbraw/zinc/26/71/91/373267191.db2.gz ASJSSTNCOHSKOL-HNNXBMFYSA-N 0 3 259.397 3.352 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000446875020 373374327 /nfs/dbraw/zinc/37/43/27/373374327.db2.gz HPNPDSPVUWCAIG-NHYWBVRUSA-N 0 3 274.339 3.333 20 30 CGEDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc(C#N)cc1F ZINC000447806094 373493680 /nfs/dbraw/zinc/49/36/80/373493680.db2.gz LXSUCBLMEYLQFM-HNNXBMFYSA-N 0 3 275.371 3.230 20 30 CGEDHN C=CCCCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000175660458 373499967 /nfs/dbraw/zinc/49/99/67/373499967.db2.gz VMOKFMLAQHUJRJ-UHFFFAOYSA-N 0 3 260.381 3.351 20 30 CGEDHN C=CCN(CCCCCCO)Cc1cccc(C#N)c1 ZINC000175752754 373513346 /nfs/dbraw/zinc/51/33/46/373513346.db2.gz OZMCVMNIYTXVQK-UHFFFAOYSA-N 0 3 272.392 3.099 20 30 CGEDHN C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nnc(CC)[n-]1 ZINC000449203772 373670916 /nfs/dbraw/zinc/67/09/16/373670916.db2.gz KXESDFBBCWSOJS-RYUDHWBXSA-N 0 3 250.390 3.153 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nnc(CC)[nH]1 ZINC000449203772 373670919 /nfs/dbraw/zinc/67/09/19/373670919.db2.gz KXESDFBBCWSOJS-RYUDHWBXSA-N 0 3 250.390 3.153 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCOc2ccc(F)c(Cl)c2)C1 ZINC000449401634 373687235 /nfs/dbraw/zinc/68/72/35/373687235.db2.gz NMYLTHPMBXMUTN-QWRGUYRKSA-N 0 3 282.746 3.140 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177569422 373692855 /nfs/dbraw/zinc/69/28/55/373692855.db2.gz RPIUBRGOYYBUSF-CWRNSKLLSA-N 0 3 297.402 3.007 20 30 CGEDHN C[C@@H]1CCCCN1CCNc1c(C#N)cnc2ccccc21 ZINC000301354368 373756065 /nfs/dbraw/zinc/75/60/65/373756065.db2.gz KBFJHRDFSNQEJJ-CQSZACIVSA-N 0 3 294.402 3.393 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2cc(OC)ccc2c1 ZINC000449521216 373819763 /nfs/dbraw/zinc/81/97/63/373819763.db2.gz RDOYZCFLTMVXBV-MSOLQXFVSA-N 0 3 283.371 3.282 20 30 CGEDHN CC1(C)COC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000449626431 373835905 /nfs/dbraw/zinc/83/59/05/373835905.db2.gz WJVVPEFXFAWVIZ-ZDUSSCGKSA-N 0 3 298.308 3.092 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC000179778503 373917369 /nfs/dbraw/zinc/91/73/69/373917369.db2.gz YFNWXAWZMCLVRK-LSDHHAIUSA-N 0 3 266.429 3.110 20 30 CGEDHN COc1ccc([C@H](C)CN2CCC(C#N)CC2)cc1 ZINC000179924376 373940227 /nfs/dbraw/zinc/94/02/27/373940227.db2.gz RQUZUFVHDIHFQK-CYBMUJFWSA-N 0 3 258.365 3.034 20 30 CGEDHN C=CCSCCN[C@H](C)c1sc(C)nc1C ZINC000180455219 374011081 /nfs/dbraw/zinc/01/10/81/374011081.db2.gz ZXYSRNVYBFOYSD-SECBINFHSA-N 0 3 256.440 3.330 20 30 CGEDHN CCC(CC)[C@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305824260 374117329 /nfs/dbraw/zinc/11/73/29/374117329.db2.gz QJBGGTNIDZCZFD-BDJLRTHQSA-N 0 3 278.371 3.145 20 30 CGEDHN C=C(C)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181448108 374124452 /nfs/dbraw/zinc/12/44/52/374124452.db2.gz UKDQDYDXKWIRIA-CYBMUJFWSA-N 0 3 258.365 3.040 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccc(Cl)cn1 ZINC000182684550 374313599 /nfs/dbraw/zinc/31/35/99/374313599.db2.gz CDGYDGQMCBPMGS-UHFFFAOYSA-N 0 3 251.761 3.155 20 30 CGEDHN CC[C@H]1CCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000329180915 374400258 /nfs/dbraw/zinc/40/02/58/374400258.db2.gz NFKDOAOENJAHHY-WDEREUQCSA-N 0 3 293.436 3.388 20 30 CGEDHN CCC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000453260993 374377152 /nfs/dbraw/zinc/37/71/52/374377152.db2.gz YJQUMPQPUXONQY-AAEUAGOBSA-N 0 3 264.344 3.163 20 30 CGEDHN CO[C@@H]([C@H](C)N[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000453339992 374431313 /nfs/dbraw/zinc/43/13/13/374431313.db2.gz BOGPGHANPMQAOJ-GDLVEWKHSA-N 0 3 276.355 3.161 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(C#N)s1 ZINC000185194160 374607494 /nfs/dbraw/zinc/60/74/94/374607494.db2.gz PUWLRXBYQOMSRQ-GJZGRUSLSA-N 0 3 278.421 3.303 20 30 CGEDHN C[C@H](NCc1ccc(F)c(C#N)c1)[C@H]1COc2ccccc21 ZINC000185630346 374702814 /nfs/dbraw/zinc/70/28/14/374702814.db2.gz IWDQFYUSCFLRHC-BLLLJJGKSA-N 0 3 296.345 3.352 20 30 CGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](c1ccccc1)N(C)C ZINC000185673395 374710599 /nfs/dbraw/zinc/71/05/99/374710599.db2.gz FBEUUWMIYGDMGU-SUMWQHHRSA-N 0 3 299.443 3.401 20 30 CGEDHN CCOc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185816326 374744265 /nfs/dbraw/zinc/74/42/65/374744265.db2.gz XCPIZGZBMKFIHM-DZGCQCFKSA-N 0 3 258.365 3.257 20 30 CGEDHN Cc1cc(-n2ccnc2)ccc1CN1CCC(C)(C#N)CC1 ZINC000334535186 374831249 /nfs/dbraw/zinc/83/12/49/374831249.db2.gz PADQUHYEBTYELA-UHFFFAOYSA-N 0 3 294.402 3.306 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OCC ZINC000186703060 374901289 /nfs/dbraw/zinc/90/12/89/374901289.db2.gz JGDADHSDQUPXSG-AAEUAGOBSA-N 0 3 283.799 3.326 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Br)s1 ZINC000186688641 374898805 /nfs/dbraw/zinc/89/88/05/374898805.db2.gz DYEDQKOEWMUTES-DTWKUNHWSA-N 0 3 290.226 3.098 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186696170 374899889 /nfs/dbraw/zinc/89/98/89/374899889.db2.gz SYIYDQBRCIQEEW-JQWIXIFHSA-N 0 3 289.297 3.173 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccccc1OC(F)(F)F ZINC000186696440 374900232 /nfs/dbraw/zinc/90/02/32/374900232.db2.gz HIABVBCSVYVLBH-WDEREUQCSA-N 0 3 289.297 3.173 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](CC(C)C)C1 ZINC000466735194 374969825 /nfs/dbraw/zinc/96/98/25/374969825.db2.gz ABHFIFKFTACGCX-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469733318 374991487 /nfs/dbraw/zinc/99/14/87/374991487.db2.gz JMUCLVQBZOTXDK-UHFFFAOYSA-N 0 3 259.271 3.202 20 30 CGEDHN C=CCSCCNCc1ccc2c(c1)COC(C)(C)O2 ZINC000187337228 375005819 /nfs/dbraw/zinc/00/58/19/375005819.db2.gz CZVXVZQOZOZXDV-UHFFFAOYSA-N 0 3 293.432 3.341 20 30 CGEDHN OCCC1(NCC#Cc2ccc(Cl)cc2)CCCCC1 ZINC000474274024 375093918 /nfs/dbraw/zinc/09/39/18/375093918.db2.gz LYFLBUWLQJCMSG-UHFFFAOYSA-N 0 3 291.822 3.366 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)C1CC1)C(C)C ZINC000480939364 375161856 /nfs/dbraw/zinc/16/18/56/375161856.db2.gz IUXIZWWEZJPLKC-MRXNPFEDSA-N 0 3 292.467 3.237 20 30 CGEDHN COCCN(CC#Cc1ccc(F)cc1)[C@H]1CC[C@H](C)C1 ZINC000484871229 375188737 /nfs/dbraw/zinc/18/87/37/375188737.db2.gz MINVMXQZZAOYQP-YJBOKZPZSA-N 0 3 289.394 3.314 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000188550389 375230003 /nfs/dbraw/zinc/23/00/03/375230003.db2.gz BXUPQRBSASSKFN-NUJGCVRESA-N 0 3 286.419 3.150 20 30 CGEDHN COCCN(CC#Cc1ccc(F)cc1)[C@H]1CCC[C@@H]1C ZINC000487946703 375288500 /nfs/dbraw/zinc/28/85/00/375288500.db2.gz BXPRTCQUXZGWBY-YJBOKZPZSA-N 0 3 289.394 3.314 20 30 CGEDHN CO[C@]1(C)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000335763654 375410493 /nfs/dbraw/zinc/41/04/93/375410493.db2.gz QETKMOBPMABRNQ-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN CC1=C(c2ccco2)CN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335767439 375413389 /nfs/dbraw/zinc/41/33/89/375413389.db2.gz MPMXVBCUSJCTKV-UONOGXRCSA-N 0 3 256.349 3.451 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](C2CC2)C1 ZINC000494755054 375491786 /nfs/dbraw/zinc/49/17/86/375491786.db2.gz AWKUNNSKCBHIGP-QZTJIDSGSA-N 0 3 296.414 3.408 20 30 CGEDHN C=CCN(C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000494704482 375492136 /nfs/dbraw/zinc/49/21/36/375492136.db2.gz UVSXCOBYXDHLCI-OAHLLOKOSA-N 0 3 294.398 3.273 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H]1CCSC1 ZINC000495077447 375497447 /nfs/dbraw/zinc/49/74/47/375497447.db2.gz FEGYZYKOGMXHDV-LBPRGKRZSA-N 0 3 253.436 3.489 20 30 CGEDHN Cn1cc(CN2CCCC3(CCCCC3)C2)cc1C#N ZINC000191358006 375615959 /nfs/dbraw/zinc/61/59/59/375615959.db2.gz LJSUXBMLTUMDEK-UHFFFAOYSA-N 0 3 271.408 3.443 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000498922303 375628206 /nfs/dbraw/zinc/62/82/06/375628206.db2.gz KZRJTIONPFRZGP-HZPDHXFCSA-N 0 3 299.462 3.402 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000335998044 375604769 /nfs/dbraw/zinc/60/47/69/375604769.db2.gz HPRWAEDIZWWNKP-MRVPVSSYSA-N 0 3 271.147 3.111 20 30 CGEDHN CCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1[O-] ZINC000191290037 375605152 /nfs/dbraw/zinc/60/51/52/375605152.db2.gz WFNCOSUUCRQLPY-UHFFFAOYSA-N 0 3 283.375 3.015 20 30 CGEDHN CCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1[O-] ZINC000191290037 375605163 /nfs/dbraw/zinc/60/51/63/375605163.db2.gz WFNCOSUUCRQLPY-UHFFFAOYSA-N 0 3 283.375 3.015 20 30 CGEDHN C=C(C)CN(CC)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000505842295 375661834 /nfs/dbraw/zinc/66/18/34/375661834.db2.gz HDDUEKCCUQOTDY-UHFFFAOYSA-N 0 3 299.374 3.203 20 30 CGEDHN C=CCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192461306 375752692 /nfs/dbraw/zinc/75/26/92/375752692.db2.gz PFEMKCDWXCYQDV-UHFFFAOYSA-N 0 3 261.340 3.297 20 30 CGEDHN C=CCCCCCN(C)Cc1ccc(N(C)C)nc1 ZINC000127771588 542047835 /nfs/dbraw/zinc/04/78/35/542047835.db2.gz PDJKIKDFFKOZHJ-UHFFFAOYSA-N 0 3 261.413 3.326 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2-n2ccnc2)C1 ZINC000192727029 375783725 /nfs/dbraw/zinc/78/37/25/375783725.db2.gz XAZITHSZGWVUBO-HOCLYGCPSA-N 0 3 280.375 3.044 20 30 CGEDHN C=C(C)CCN1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000509828195 375784011 /nfs/dbraw/zinc/78/40/11/375784011.db2.gz RUCIUNMJBYIKLC-UHFFFAOYSA-N 0 3 288.435 3.169 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CC(C)(C)C1)C(C)C ZINC000512339123 375796582 /nfs/dbraw/zinc/79/65/82/375796582.db2.gz PVWVSAHUXAGCBI-INIZCTEOSA-N 0 3 292.467 3.237 20 30 CGEDHN Cc1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1C#N ZINC000336546574 375823591 /nfs/dbraw/zinc/82/35/91/375823591.db2.gz YRFHJBQSPKPOAV-WFASDCNBSA-N 0 3 271.364 3.002 20 30 CGEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cn1 ZINC000519806593 375851531 /nfs/dbraw/zinc/85/15/31/375851531.db2.gz UIELCVGXXVEPPD-XJKSGUPXSA-N 0 3 295.361 3.470 20 30 CGEDHN C[C@H]1[C@@H](Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000336710783 375913756 /nfs/dbraw/zinc/91/37/56/375913756.db2.gz KWKQOFWWJDMPOH-YOEHRIQHSA-N 0 3 292.386 3.028 20 30 CGEDHN C[C@@H]1[C@H](C(=O)C(C#N)c2nc3ccccc3o2)[C@H]1C1CC1 ZINC000528928440 375915540 /nfs/dbraw/zinc/91/55/40/375915540.db2.gz NVUSNHLUURSDNP-NDMCHQMPSA-N 0 3 280.327 3.296 20 30 CGEDHN CC(C)(C#N)CCCN1CCc2ccc(O)cc2C1 ZINC000336802099 375951154 /nfs/dbraw/zinc/95/11/54/375951154.db2.gz SOFPINKIDNRUIG-UHFFFAOYSA-N 0 3 258.365 3.080 20 30 CGEDHN C=CCN1CC[C@@H](N(CC)[C@H](CC)c2ccccc2)C1=O ZINC000337137569 376093855 /nfs/dbraw/zinc/09/38/55/376093855.db2.gz OFZASQHMXCHUSY-IAGOWNOFSA-N 0 3 286.419 3.247 20 30 CGEDHN C=CCN1CC[C@H](N2CCCC[C@H]2c2ccc(C)cc2)C1=O ZINC000337185077 376121987 /nfs/dbraw/zinc/12/19/87/376121987.db2.gz OBFMPIHLZPWAIK-ROUUACIJSA-N 0 3 298.430 3.309 20 30 CGEDHN COC(=O)c1cccc(CN(C)C2CCCCC2)c1C#N ZINC000535978858 376075659 /nfs/dbraw/zinc/07/56/59/376075659.db2.gz RTPCMAHBHDMOJF-UHFFFAOYSA-N 0 3 286.375 3.109 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000337197732 376130640 /nfs/dbraw/zinc/13/06/40/376130640.db2.gz YXNHTTRQBCXUHE-RDTXWAMCSA-N 0 3 298.430 3.003 20 30 CGEDHN CCC1(CNC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000537284773 376158580 /nfs/dbraw/zinc/15/85/80/376158580.db2.gz NTKYWQLQUDBGDJ-MRXNPFEDSA-N 0 3 284.403 3.455 20 30 CGEDHN C=CCCCN(C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000537635695 376187479 /nfs/dbraw/zinc/18/74/79/376187479.db2.gz MGSXFSWZUDBSMM-ZDUSSCGKSA-N 0 3 275.392 3.417 20 30 CGEDHN N#CCCN(CCCCC1CCOCC1)CC1CC1 ZINC000337185587 376123547 /nfs/dbraw/zinc/12/35/47/376123547.db2.gz OMPXFPQVVYNSRM-UHFFFAOYSA-N 0 3 264.413 3.209 20 30 CGEDHN C=C(CC)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000538003118 376217451 /nfs/dbraw/zinc/21/74/51/376217451.db2.gz VGEHORCTEKSXMD-YFHOEESVSA-N 0 3 270.420 3.284 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000538166439 376222714 /nfs/dbraw/zinc/22/27/14/376222714.db2.gz YSWIPIMNCOMLQC-CQSZACIVSA-N 0 3 275.392 3.404 20 30 CGEDHN C=CCOCCCN1CCc2cc(F)cc(C)c2C1 ZINC000337471391 376223931 /nfs/dbraw/zinc/22/39/31/376223931.db2.gz VSWBHDPENWEPEB-UHFFFAOYSA-N 0 3 263.356 3.085 20 30 CGEDHN CN(CCc1ccccc1)Cc1cccc(C#N)c1F ZINC000223523234 376255723 /nfs/dbraw/zinc/25/57/23/376255723.db2.gz CIJLXOYUKZAYFU-UHFFFAOYSA-N 0 3 268.335 3.372 20 30 CGEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C#N)c1 ZINC000338370153 376353286 /nfs/dbraw/zinc/35/32/86/376353286.db2.gz ZWCJMKIPDAAGFH-UHFFFAOYSA-N 0 3 295.342 3.141 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1ccccc1OC(C)C ZINC000539226336 376300714 /nfs/dbraw/zinc/30/07/14/376300714.db2.gz SQLQHHRRDFEPIQ-CABCVRRESA-N 0 3 277.408 3.452 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000539388788 376306528 /nfs/dbraw/zinc/30/65/28/376306528.db2.gz SFCSYBLNBVIBPA-CVEARBPZSA-N 0 3 295.471 3.151 20 30 CGEDHN CC1(C)CCN(Cc2ccc(F)c(C#N)c2)CCS1 ZINC000228088798 376428852 /nfs/dbraw/zinc/42/88/52/376428852.db2.gz YMMBOWKKPKHSRN-UHFFFAOYSA-N 0 3 278.396 3.415 20 30 CGEDHN C[C@@H](C#N)CNC1CCC(c2ccc(O)cc2)CC1 ZINC000542693018 376567317 /nfs/dbraw/zinc/56/73/17/376567317.db2.gz UOEGRUHNDHFZIF-OPFPJEHXSA-N 0 3 258.365 3.168 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1F ZINC000233847453 376605354 /nfs/dbraw/zinc/60/53/54/376605354.db2.gz ZYKDBTNDXNMIOJ-CABCVRRESA-N 0 3 278.396 3.461 20 30 CGEDHN CCN(C[C@H](C)C#N)C[C@@H]1CCc2ccccc2C1 ZINC000542917121 376593143 /nfs/dbraw/zinc/59/31/43/376593143.db2.gz UUUPFKQMLKASDW-HUUCEWRRSA-N 0 3 256.393 3.273 20 30 CGEDHN COc1cc(CNCCSc2ccccc2)ccc1C#N ZINC000234910266 376623700 /nfs/dbraw/zinc/62/37/00/376623700.db2.gz DRKYCXREEKWTLE-UHFFFAOYSA-N 0 3 298.411 3.449 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000543762471 376674747 /nfs/dbraw/zinc/67/47/47/376674747.db2.gz ZGBBMPWLDDPGCM-GFQSEFKGSA-N 0 3 276.355 3.304 20 30 CGEDHN Cc1nc2ccccc2nc1CN1CCC(CC#N)CC1 ZINC000543807881 376679733 /nfs/dbraw/zinc/67/97/33/376679733.db2.gz SMROALHWCYKNPE-UHFFFAOYSA-N 0 3 280.375 3.064 20 30 CGEDHN N#CCC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000543806266 376681223 /nfs/dbraw/zinc/68/12/23/376681223.db2.gz AQRSZQUDWURQRQ-UHFFFAOYSA-N 0 3 281.359 3.467 20 30 CGEDHN C=CCOCCN(C)[C@@H](CC)c1ccccc1OC ZINC000339206871 376734109 /nfs/dbraw/zinc/73/41/09/376734109.db2.gz WBKRXLHWUKZXAG-HNNXBMFYSA-N 0 3 263.381 3.281 20 30 CGEDHN CC(C)(CO)[C@H](NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000339724719 376826293 /nfs/dbraw/zinc/82/62/93/376826293.db2.gz LCKXIIZNXMZYFR-OAHLLOKOSA-N 0 3 292.810 3.098 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000555420661 376855974 /nfs/dbraw/zinc/85/59/74/376855974.db2.gz KRYYWNAQSBHCOM-ZDUSSCGKSA-N 0 3 293.382 3.468 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000555413995 376856432 /nfs/dbraw/zinc/85/64/32/376856432.db2.gz ACVOKWLEXSOPHZ-FRFSOERESA-N 0 3 285.366 3.495 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000245884993 376925552 /nfs/dbraw/zinc/92/55/52/376925552.db2.gz ISZSSTLBENQMHZ-CHWSQXEVSA-N 0 3 258.365 3.045 20 30 CGEDHN COc1ccccc1/C=C\CNCc1cccc(C#N)c1 ZINC000340196197 376944215 /nfs/dbraw/zinc/94/42/15/376944215.db2.gz XUYRKPUSNGVMGY-UITAMQMPSA-N 0 3 278.355 3.370 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1cccc(F)c1 ZINC000246009089 376952484 /nfs/dbraw/zinc/95/24/84/376952484.db2.gz KRNRRHNJENRGBJ-HOTGVXAUSA-N 0 3 263.356 3.290 20 30 CGEDHN C=CCC[C@@H](O)CN1CCSC[C@H]1c1ccccc1 ZINC000247561624 377223840 /nfs/dbraw/zinc/22/38/40/377223840.db2.gz RSLCNXXWRZHDAP-CVEARBPZSA-N 0 3 277.433 3.104 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N1CCNc1ccc(C#N)cc1F ZINC000341098114 377394706 /nfs/dbraw/zinc/39/47/06/377394706.db2.gz JJUMMBFWCHBRLR-BETUJISGSA-N 0 3 275.371 3.372 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000248933961 377429577 /nfs/dbraw/zinc/42/95/77/377429577.db2.gz YCSLUQSDIMJJDC-OUCADQQQSA-N 0 3 272.348 3.148 20 30 CGEDHN CC[C@@]1(CO)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249002244 377441659 /nfs/dbraw/zinc/44/16/59/377441659.db2.gz YXUPQMNBNQFUEL-RHSMWYFYSA-N 0 3 272.392 3.104 20 30 CGEDHN Cc1noc([C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249472853 377506178 /nfs/dbraw/zinc/50/61/78/377506178.db2.gz SJTOOAZKAFJXPJ-MLGOLLRUSA-N 0 3 296.374 3.190 20 30 CGEDHN CCC[C@@H](C)[C@@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000566305484 377495317 /nfs/dbraw/zinc/49/53/17/377495317.db2.gz XPPSEPWPQKWQBF-CZUORRHYSA-N 0 3 279.811 3.078 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H](N3CCCC3)C2)CCCCC1 ZINC000566836774 377500419 /nfs/dbraw/zinc/50/04/19/377500419.db2.gz TXBPDCOIMGJIET-INIZCTEOSA-N 0 3 290.451 3.210 20 30 CGEDHN CC[C@@H](CC#N)NCCCOc1cc(C)cc(C)c1 ZINC000568289983 377517760 /nfs/dbraw/zinc/51/77/60/377517760.db2.gz WUHPXSYMLWISHK-HNNXBMFYSA-N 0 3 260.381 3.354 20 30 CGEDHN C[C@@H]1CCN(CCC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000567791301 377509918 /nfs/dbraw/zinc/50/99/18/377509918.db2.gz MZACWTQVJCUEBP-KGLIPLIRSA-N 0 3 294.439 3.226 20 30 CGEDHN CCOC(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000275770498 249066767 /nfs/dbraw/zinc/06/67/67/249066767.db2.gz UWADCIIYNKIAAU-NSHDSACASA-N 0 3 264.344 3.163 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000290284410 249072151 /nfs/dbraw/zinc/07/21/51/249072151.db2.gz MKMLSOFOJWVYOB-PMUMKWKESA-N 0 3 280.371 3.331 20 30 CGEDHN N#CC[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2cncnc2)C1 ZINC000572713636 377551161 /nfs/dbraw/zinc/55/11/61/377551161.db2.gz HZVYQFONUBTBBG-JCGIZDLHSA-N 0 3 292.386 3.238 20 30 CGEDHN Cc1ccccc1C[C@@H](C)N(C)Cc1ccc(C#N)cn1 ZINC000573697159 377565032 /nfs/dbraw/zinc/56/50/32/377565032.db2.gz ZSSOCJJVIQNFEO-OAHLLOKOSA-N 0 3 279.387 3.325 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000342642483 377705624 /nfs/dbraw/zinc/70/56/24/377705624.db2.gz XGEALMWARAQRHW-OAHLLOKOSA-N 0 3 290.363 3.009 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000342714736 377750667 /nfs/dbraw/zinc/75/06/67/377750667.db2.gz AFXWUZXLSKOYAU-KRWDZBQOSA-N 0 3 265.360 3.418 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000342736325 377764000 /nfs/dbraw/zinc/76/40/00/377764000.db2.gz WNEGFDYHKXUDDS-CQSZACIVSA-N 0 3 290.370 3.365 20 30 CGEDHN C=CCC1(C(=O)N(CCC)CCN2CCCCC2)CCC1 ZINC000342778285 377786790 /nfs/dbraw/zinc/78/67/90/377786790.db2.gz COIPMWGHKFCJBO-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN Cc1ccoc1CNCCSCc1ccccc1C#N ZINC000343074375 377894643 /nfs/dbraw/zinc/89/46/43/377894643.db2.gz VYYGCOJKXMHMTG-UHFFFAOYSA-N 0 3 286.400 3.483 20 30 CGEDHN CC1CCC(N(C[C@@H]2CCCO2)CC2(C#N)CC2)CC1 ZINC000343312318 377950370 /nfs/dbraw/zinc/95/03/70/377950370.db2.gz AGQCRDCBTYRMHC-GPANFISMSA-N 0 3 276.424 3.350 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1sc(C)nc1C ZINC000268580661 378076208 /nfs/dbraw/zinc/07/62/08/378076208.db2.gz SWRSXKWQXNDAJF-YPMHNXCESA-N 0 3 268.426 3.080 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1sc(CC)nc1C ZINC000268577286 378076355 /nfs/dbraw/zinc/07/63/55/378076355.db2.gz SDVQTELOMUXGFA-QWHCGFSZSA-N 0 3 282.453 3.334 20 30 CGEDHN N#Cc1ccc(CNC2(C3CCC3)CCC2)c([N+](=O)[O-])c1 ZINC000578538343 378078983 /nfs/dbraw/zinc/07/89/83/378078983.db2.gz TXBNPTGKPDSZTI-UHFFFAOYSA-N 0 3 285.347 3.279 20 30 CGEDHN C=CCCCCCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000579251919 378145184 /nfs/dbraw/zinc/14/51/84/378145184.db2.gz NHUNKEGYKLUPHO-HNNXBMFYSA-N 0 3 294.826 3.072 20 30 CGEDHN C[C@@H](c1ccco1)N(C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268659698 378087436 /nfs/dbraw/zinc/08/74/36/378087436.db2.gz ITMPQQVXOUYRNG-GUYCJALGSA-N 0 3 296.370 3.410 20 30 CGEDHN N#CCc1ccc(CN2CCc3ccsc3C2)cc1 ZINC000343775967 378089101 /nfs/dbraw/zinc/08/91/01/378089101.db2.gz XBEFUEJRFVUWPJ-UHFFFAOYSA-N 0 3 268.385 3.372 20 30 CGEDHN C#CCCN(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000268724686 378097437 /nfs/dbraw/zinc/09/74/37/378097437.db2.gz PCKUWQVVPCCVHV-UHFFFAOYSA-N 0 3 283.318 3.142 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCCC3)CC2)nc1 ZINC000578783891 378100889 /nfs/dbraw/zinc/10/08/89/378100889.db2.gz SXXLSJNQNFGLGH-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN N#Cc1ccc(CNCC2(CCO)CCCCC2)c(F)c1 ZINC000269423408 378220201 /nfs/dbraw/zinc/22/02/01/378220201.db2.gz MRALHVLEQGNOFR-UHFFFAOYSA-N 0 3 290.382 3.120 20 30 CGEDHN C[C@@H]1C[C@@H](CO)CCN1Cc1ccccc1C(C)(C)C#N ZINC000344145248 378160705 /nfs/dbraw/zinc/16/07/05/378160705.db2.gz OVZYTICHSNEJKJ-CABCVRRESA-N 0 3 286.419 3.081 20 30 CGEDHN CN(C)c1ccccc1CN(C)Cc1ccc(CC#N)cc1 ZINC000344134846 378160788 /nfs/dbraw/zinc/16/07/88/378160788.db2.gz ZQMQWXCJYVXMCM-UHFFFAOYSA-N 0 3 293.414 3.451 20 30 CGEDHN C=C(CC)CN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344154250 378161868 /nfs/dbraw/zinc/16/18/68/378161868.db2.gz IOOOPISFVLPZLY-KRWDZBQOSA-N 0 3 277.383 3.019 20 30 CGEDHN CCC(CC)[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)CCO1 ZINC000580186593 378230723 /nfs/dbraw/zinc/23/07/23/378230723.db2.gz AITCCEOFNQEBTM-BMFZPTHFSA-N 0 3 277.412 3.003 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc2c(c1)OCO2 ZINC000345942212 378415853 /nfs/dbraw/zinc/41/58/53/378415853.db2.gz WHEVNGLUFRKMTN-LLVKDONJSA-N 0 3 260.337 3.006 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@@H](CC)N(CC)CC)c1 ZINC000345997945 378434231 /nfs/dbraw/zinc/43/42/31/378434231.db2.gz HFXXUQOZKYSXEN-MRXNPFEDSA-N 0 3 290.407 3.310 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](COc3ccccc3)C2)c1 ZINC000272644141 378683176 /nfs/dbraw/zinc/68/31/76/378683176.db2.gz YBFKKZXWXXEUAK-SFHVURJKSA-N 0 3 292.382 3.459 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(OC)c(O)cc1Cl ZINC000638611400 378852642 /nfs/dbraw/zinc/85/26/42/378852642.db2.gz UMSMKBCSHYZJSJ-SECBINFHSA-N 0 3 255.745 3.108 20 30 CGEDHN C=CCCOCCNCc1cc(Cl)cc(Cl)c1N ZINC000638812221 378918780 /nfs/dbraw/zinc/91/87/80/378918780.db2.gz TVZAKBWCUHUSSN-UHFFFAOYSA-N 0 3 289.206 3.258 20 30 CGEDHN N#Cc1ccc(OCCN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278578668 194053544 /nfs/dbraw/zinc/05/35/44/194053544.db2.gz CPJXEIXOHHFNNM-CYBMUJFWSA-N 0 3 298.308 3.211 20 30 CGEDHN CC[C@]1(C)CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000347238016 218164857 /nfs/dbraw/zinc/16/48/57/218164857.db2.gz AFRFLCPYEZXYII-MRXNPFEDSA-N 0 3 258.365 3.189 20 30 CGEDHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000348837911 379078939 /nfs/dbraw/zinc/07/89/39/379078939.db2.gz LBGVTNNAXJSRLB-KSSFIOAISA-N 0 3 279.387 3.480 20 30 CGEDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000348837912 379079100 /nfs/dbraw/zinc/07/91/00/379079100.db2.gz LBGVTNNAXJSRLB-RDTXWAMCSA-N 0 3 279.387 3.480 20 30 CGEDHN C=CCC[C@H](C)[NH2+][C@@H](C)c1nnc([C@H](C)CC)[n-]1 ZINC000277263863 379113559 /nfs/dbraw/zinc/11/35/59/379113559.db2.gz PCUBQDDHJIOFIJ-WOPDTQHZSA-N 0 3 250.390 3.324 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000277263863 379113564 /nfs/dbraw/zinc/11/35/64/379113564.db2.gz PCUBQDDHJIOFIJ-WOPDTQHZSA-N 0 3 250.390 3.324 20 30 CGEDHN C[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1 ZINC000266471982 190259708 /nfs/dbraw/zinc/25/97/08/190259708.db2.gz OFGIEBYIBDFCOA-GHMZBOCLSA-N 0 3 286.297 3.176 20 30 CGEDHN C=CCn1cc(CN[C@@H](C)[C@H]2CCC(C)=C(C)C2)nn1 ZINC000639273378 379219023 /nfs/dbraw/zinc/21/90/23/379219023.db2.gz CIKGCSISAYMPSD-GJZGRUSLSA-N 0 3 274.412 3.079 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnc(CCOC)s2)C1 ZINC000639309077 379259586 /nfs/dbraw/zinc/25/95/86/379259586.db2.gz KHQAWHHAUWTGDO-ZDUSSCGKSA-N 0 3 280.437 3.120 20 30 CGEDHN C=CCOCCCNCc1cc(Cl)cc(Cl)c1N ZINC000639316646 379268282 /nfs/dbraw/zinc/26/82/82/379268282.db2.gz ONYWKOXQTAAQST-UHFFFAOYSA-N 0 3 289.206 3.258 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000349417155 379274369 /nfs/dbraw/zinc/27/43/69/379274369.db2.gz PPBRHFRCWQUMEV-KYOSRNDESA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCC1(N[C@H](c2nccn2C)C2CC2)CCCC1 ZINC000639322567 379275435 /nfs/dbraw/zinc/27/54/35/379275435.db2.gz WJCZIKVDVGMZNV-AWEZNQCLSA-N 0 3 259.397 3.350 20 30 CGEDHN N#Cc1ccccc1CN1CC[C@@H](c2ccco2)C1 ZINC000374001812 379360257 /nfs/dbraw/zinc/36/02/57/379360257.db2.gz IUFDUSDPGNISEW-OAHLLOKOSA-N 0 3 252.317 3.141 20 30 CGEDHN C=C(C)CN(CC[C@@H]1CCOC1=O)Cc1ccccc1 ZINC000279232864 379417380 /nfs/dbraw/zinc/41/73/80/379417380.db2.gz DZOZEQYDZYKVQX-MRXNPFEDSA-N 0 3 273.376 3.018 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCc2c[nH]nc2C1)c1ccco1 ZINC000375812007 379512112 /nfs/dbraw/zinc/51/21/12/379512112.db2.gz XINGTSPAJRQWKB-ZIAGYGMSSA-N 0 3 271.364 3.157 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC2(CC1)c1ccccc1N=C2C ZINC000639715663 379557593 /nfs/dbraw/zinc/55/75/93/379557593.db2.gz RDTYUODYSDNEKW-QGZVFWFLSA-N 0 3 284.403 3.063 20 30 CGEDHN C=CC[C@H](CO)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000351592289 379728567 /nfs/dbraw/zinc/72/85/67/379728567.db2.gz JMULOKDGWNQBHI-MRXNPFEDSA-N 0 3 299.418 3.022 20 30 CGEDHN CC(C)CSCCCN1CCC(F)(C#N)CC1 ZINC000352481153 379831808 /nfs/dbraw/zinc/83/18/08/379831808.db2.gz DFVPWOYKXUWGDV-UHFFFAOYSA-N 0 3 258.406 3.093 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@@H]2CCCC23CCOCC3)c1 ZINC000282123875 379858594 /nfs/dbraw/zinc/85/85/94/379858594.db2.gz QWNPIZKEUGXGNP-MRXNPFEDSA-N 0 3 288.366 3.136 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000352453544 379821736 /nfs/dbraw/zinc/82/17/36/379821736.db2.gz OAPBJPLYRALFBN-OAHLLOKOSA-N 0 3 299.370 3.124 20 30 CGEDHN C[C@@H](CCNCc1nc(C#N)cs1)c1ccccc1 ZINC000352843844 379998966 /nfs/dbraw/zinc/99/89/66/379998966.db2.gz COOIZAUVVIYUGH-LBPRGKRZSA-N 0 3 271.389 3.298 20 30 CGEDHN CN(Cc1cccc(C#N)c1F)C(C1CC1)C1CC1 ZINC000352872851 380014848 /nfs/dbraw/zinc/01/48/48/380014848.db2.gz XHIUUGUNLUDCFO-UHFFFAOYSA-N 0 3 258.340 3.318 20 30 CGEDHN CCCN(CCN1CCCC1)Cc1cccc(C#N)c1F ZINC000352893317 380023034 /nfs/dbraw/zinc/02/30/34/380023034.db2.gz NSAFNCNCGPXDDV-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc2c[nH]nc2c1 ZINC000352931830 380045862 /nfs/dbraw/zinc/04/58/62/380045862.db2.gz OFHXUMAULVARCY-UHFFFAOYSA-N 0 3 281.359 3.387 20 30 CGEDHN C=C(C)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352932220 380047275 /nfs/dbraw/zinc/04/72/75/380047275.db2.gz FGDOCHCYLIGOGW-UHFFFAOYSA-N 0 3 254.255 3.243 20 30 CGEDHN N#CC1(CCN2CCC[C@@H](n3cccn3)C2)CCCCC1 ZINC000411231808 380136659 /nfs/dbraw/zinc/13/66/59/380136659.db2.gz WUYJUFOZSOFNJJ-MRXNPFEDSA-N 0 3 286.423 3.384 20 30 CGEDHN C[C@H](CCC#N)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000411313469 380139435 /nfs/dbraw/zinc/13/94/35/380139435.db2.gz XTPNYALVIGKUQV-AEFFLSMTSA-N 0 3 286.419 3.402 20 30 CGEDHN CN(CCc1ccncc1)CCC1(C#N)CCCCC1 ZINC000411435744 380146653 /nfs/dbraw/zinc/14/66/53/380146653.db2.gz CTLJKWKSRJVABP-UHFFFAOYSA-N 0 3 271.408 3.420 20 30 CGEDHN C=C(C)CN1CCC(Nc2ccnc(Cl)c2)CC1 ZINC000268129577 190379320 /nfs/dbraw/zinc/37/93/20/190379320.db2.gz AHXXFVGHSUYWIL-UHFFFAOYSA-N 0 3 265.788 3.187 20 30 CGEDHN CC(C)CCOC1CCN([C@H](C)CCC#N)CC1 ZINC000411172672 380131200 /nfs/dbraw/zinc/13/12/00/380131200.db2.gz IPMUDYCHCIGCNI-CQSZACIVSA-N 0 3 252.402 3.206 20 30 CGEDHN C[C@@H](CCC#N)N1CC=C(c2ccc(O)cc2)CC1 ZINC000411141476 380132349 /nfs/dbraw/zinc/13/23/49/380132349.db2.gz ZARBORVHQSWUBA-ZDUSSCGKSA-N 0 3 256.349 3.174 20 30 CGEDHN Cc1ccsc1[C@@H](CO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353267205 380197803 /nfs/dbraw/zinc/19/78/03/380197803.db2.gz PENNSKWAQQIZLQ-HZPDHXFCSA-N 0 3 298.411 3.239 20 30 CGEDHN COc1cc2c(cc1F)CC[C@H]2NCC(C)(C)CC#N ZINC000414172493 380198785 /nfs/dbraw/zinc/19/87/85/380198785.db2.gz WBORMGNTAPNYHP-CQSZACIVSA-N 0 3 276.355 3.351 20 30 CGEDHN CC(C)(C)c1ccncc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000414227551 380203016 /nfs/dbraw/zinc/20/30/16/380203016.db2.gz KVNRCVQDVJGBHG-TZMCWYRMSA-N 0 3 257.381 3.161 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1nccn1C ZINC000414310630 380213163 /nfs/dbraw/zinc/21/31/63/380213163.db2.gz WPXQEYGGHZOHGF-ZBFHGGJFSA-N 0 3 269.392 3.258 20 30 CGEDHN CCC#C[C@H](C)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000643391193 380303812 /nfs/dbraw/zinc/30/38/12/380303812.db2.gz WWWIFSLLLOSOHG-HKUYNNGSSA-N 0 3 285.431 3.106 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cc(C)on1 ZINC000414540244 380308913 /nfs/dbraw/zinc/30/89/13/380308913.db2.gz UBMITQNXNSCVLD-OAHLLOKOSA-N 0 3 256.349 3.260 20 30 CGEDHN N#CC(=C([O-])c1ccc2ccccc2c1)c1ccncn1 ZINC000354459696 380448013 /nfs/dbraw/zinc/44/80/13/380448013.db2.gz FFDBXFHIERZMHA-OAHLLOKOSA-N 0 3 273.295 3.120 20 30 CGEDHN N#CC(C(=O)c1ccc2ccccc2c1)c1ccncn1 ZINC000354459696 380448018 /nfs/dbraw/zinc/44/80/18/380448018.db2.gz FFDBXFHIERZMHA-OAHLLOKOSA-N 0 3 273.295 3.120 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000644785809 380510376 /nfs/dbraw/zinc/51/03/76/380510376.db2.gz CJOUQEGLDNIYNG-ZOWXZIJZSA-N 0 3 263.406 3.142 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000355141865 380596753 /nfs/dbraw/zinc/59/67/53/380596753.db2.gz YOWIMCLFHFXFNJ-SJORKVTESA-N 0 3 287.403 3.252 20 30 CGEDHN CCn1cncc1CN[C@H](CCCC#N)c1ccccc1 ZINC000418064574 380699305 /nfs/dbraw/zinc/69/93/05/380699305.db2.gz JNTJECXEDNTODZ-QGZVFWFLSA-N 0 3 282.391 3.428 20 30 CGEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccccc3)C2(C)C)C1=O ZINC000421019052 380870201 /nfs/dbraw/zinc/87/02/01/380870201.db2.gz LVHUDAVRAQHMDU-DLBZAZTESA-N 0 3 298.430 3.041 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](CC(F)(F)F)C2)C1 ZINC000420957113 380861795 /nfs/dbraw/zinc/86/17/95/380861795.db2.gz ZEWPZOULANYTGO-IJLUTSLNSA-N 0 3 260.303 3.343 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](O)CC23CCC3)c1 ZINC000421378735 380921166 /nfs/dbraw/zinc/92/11/66/380921166.db2.gz WBBGTQKERYRPJO-INIZCTEOSA-N 0 3 287.403 3.131 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000421387477 380932697 /nfs/dbraw/zinc/93/26/97/380932697.db2.gz TTXDWAHYQAQUTC-QGZVFWFLSA-N 0 3 298.361 3.045 20 30 CGEDHN CC(C)[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000357658402 381239286 /nfs/dbraw/zinc/23/92/86/381239286.db2.gz ZVXGTMIQJUUKKY-MRXNPFEDSA-N 0 3 267.376 3.431 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000358308071 381303996 /nfs/dbraw/zinc/30/39/96/381303996.db2.gz XTHOIMOPCNKOOD-ZIAGYGMSSA-N 0 3 255.365 3.157 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1cccc(OC)c1 ZINC000358346718 381304910 /nfs/dbraw/zinc/30/49/10/381304910.db2.gz AQRQHWCKYYCTHU-MRXNPFEDSA-N 0 3 263.381 3.329 20 30 CGEDHN C=C[C@@H](C)N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358745453 381326167 /nfs/dbraw/zinc/32/61/67/381326167.db2.gz DZUYNIIAEVQZHI-CJNGLKHVSA-N 0 3 267.376 3.414 20 30 CGEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CCC1 ZINC000358497074 381311857 /nfs/dbraw/zinc/31/18/57/381311857.db2.gz NTKUKAZXZRNLII-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCOCC1CC1 ZINC000360656128 381607946 /nfs/dbraw/zinc/60/79/46/381607946.db2.gz GCXJPQKABFVZSN-GOSISDBHSA-N 0 3 284.403 3.342 20 30 CGEDHN COCCN(Cc1cc(C#N)cs1)[C@H]1CC[C@@H](C)C1 ZINC000361626149 381844659 /nfs/dbraw/zinc/84/46/59/381844659.db2.gz BMNNVZGLHFBDDV-OCCSQVGLSA-N 0 3 278.421 3.257 20 30 CGEDHN COc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)CCCO2 ZINC000366838515 382319217 /nfs/dbraw/zinc/31/92/17/382319217.db2.gz ZLBVMIKZNSHODL-OAHLLOKOSA-N 0 3 286.375 3.192 20 30 CGEDHN CC(C)(C#N)CCCCN1CCC[C@H](c2ccncn2)C1 ZINC000368998975 382385101 /nfs/dbraw/zinc/38/51/01/382385101.db2.gz CPSGJMWOBMJHGW-HNNXBMFYSA-N 0 3 286.423 3.376 20 30 CGEDHN COc1ccccc1[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000347108126 533020481 /nfs/dbraw/zinc/02/04/81/533020481.db2.gz OBXXMCSXZGWNEN-SUMWQHHRSA-N 0 3 294.354 3.060 20 30 CGEDHN CC(C#N)C(=O)N(C)C1CCC(C(C)(C)C)CC1 ZINC000347074373 533108389 /nfs/dbraw/zinc/10/83/89/533108389.db2.gz QZKNNOGXXCIVFT-HIFPTAJRSA-N 0 3 250.386 3.209 20 30 CGEDHN C=CCOc1ccccc1CNCC(CC)(CC)CO ZINC000120487977 262198669 /nfs/dbraw/zinc/19/86/69/262198669.db2.gz DYUYRFVPDQCBSM-UHFFFAOYSA-N 0 3 277.408 3.140 20 30 CGEDHN COc1cc(F)cc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000193066586 262215743 /nfs/dbraw/zinc/21/57/43/262215743.db2.gz PEOHKDXDIUDHME-SMDDNHRTSA-N 0 3 262.328 3.006 20 30 CGEDHN COc1cc(C)ccc1CNCCc1cccc(C#N)c1 ZINC000449306730 533668353 /nfs/dbraw/zinc/66/83/53/533668353.db2.gz XLUXHZXSFUGIIA-UHFFFAOYSA-N 0 3 280.371 3.208 20 30 CGEDHN CCC(=O)CCN(Cc1ccc(C#N)cc1)C(C)C ZINC000190202239 130073138 /nfs/dbraw/zinc/07/31/38/130073138.db2.gz XQHTUVSVSGGQHG-UHFFFAOYSA-N 0 3 258.365 3.138 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(Br)cc1 ZINC000381312456 542596599 /nfs/dbraw/zinc/59/65/99/542596599.db2.gz LZCCZLWYSYPUFM-ZWNOBZJWSA-N 0 3 284.197 3.037 20 30 CGEDHN Cn1cc(CN(Cc2ccc(F)cc2)CC2CC2)cc1C#N ZINC000191375764 130229421 /nfs/dbraw/zinc/22/94/21/130229421.db2.gz QPPNBTMYUAAZHZ-UHFFFAOYSA-N 0 3 297.377 3.448 20 30 CGEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cc(C#N)n(C)c1 ZINC000191385833 130230527 /nfs/dbraw/zinc/23/05/27/130230527.db2.gz MWYZJIWBCSDZFR-XJKSGUPXSA-N 0 3 297.377 3.414 20 30 CGEDHN CN(CC(C)(C)CCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104830 392235964 /nfs/dbraw/zinc/23/59/64/392235964.db2.gz ZHOPOMDWBNKKNF-INIZCTEOSA-N 0 3 299.418 3.054 20 30 CGEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)C2CCCC2)o1 ZINC000093665886 392239425 /nfs/dbraw/zinc/23/94/25/392239425.db2.gz NVGNZWDAGDOBLK-OAHLLOKOSA-N 0 3 274.364 3.075 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cc(C)on1)C(C)C ZINC000284217951 392310514 /nfs/dbraw/zinc/31/05/14/392310514.db2.gz TVUQCNMXHFTBGB-RDJZCZTQSA-N 0 3 291.439 3.332 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cc(C)on1)C(C)C ZINC000284217946 392310938 /nfs/dbraw/zinc/31/09/38/392310938.db2.gz TVUQCNMXHFTBGB-DOTOQJQBSA-N 0 3 291.439 3.332 20 30 CGEDHN C=CCCOCCN[C@H](CCCOC)c1ccc(F)cc1 ZINC000282439559 392291109 /nfs/dbraw/zinc/29/11/09/392291109.db2.gz ULQZGQUFHIUGKY-QGZVFWFLSA-N 0 3 295.398 3.476 20 30 CGEDHN C=CCN(Cc1ccc(OC)nn1)CC1CCCCC1 ZINC000282632458 392293558 /nfs/dbraw/zinc/29/35/58/392293558.db2.gz AXXLPXJSEAOAGQ-UHFFFAOYSA-N 0 3 275.396 3.054 20 30 CGEDHN C=CCC[C@@H](NCCCOC[C@H]1CCCO1)c1ccco1 ZINC000285614044 392326764 /nfs/dbraw/zinc/32/67/64/392326764.db2.gz KKCFETDPRUZNMK-HZPDHXFCSA-N 0 3 293.407 3.462 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000285601573 392327045 /nfs/dbraw/zinc/32/70/45/392327045.db2.gz BWCZSPASXHLQDX-UHFFFAOYSA-N 0 3 290.432 3.304 20 30 CGEDHN C[C@H](c1cccc(O)c1)N(C)CCOc1cccc(C#N)c1 ZINC000109781034 392372587 /nfs/dbraw/zinc/37/25/87/392372587.db2.gz LBERPYFCVXSSIH-CQSZACIVSA-N 0 3 296.370 3.336 20 30 CGEDHN C=CCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000263858667 131347419 /nfs/dbraw/zinc/34/74/19/131347419.db2.gz XACRFRLGIIEUCP-QGZVFWFLSA-N 0 3 286.419 3.214 20 30 CGEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(C)c1C)C(C)C ZINC000289621428 392426510 /nfs/dbraw/zinc/42/65/10/392426510.db2.gz WJHQHLCUWPWVOX-ZBFHGGJFSA-N 0 3 286.419 3.268 20 30 CGEDHN C#Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000290087138 392440222 /nfs/dbraw/zinc/44/02/22/392440222.db2.gz MLUUTGOIZRLNON-SFHVURJKSA-N 0 3 294.398 3.188 20 30 CGEDHN Cc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)CCCO2 ZINC000366826760 392459535 /nfs/dbraw/zinc/45/95/35/392459535.db2.gz NJSZTLVJFQYSTG-HNNXBMFYSA-N 0 3 270.376 3.492 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000121097223 392409018 /nfs/dbraw/zinc/40/90/18/392409018.db2.gz GIKJGGGIXGGQJN-GFCCVEGCSA-N 0 3 264.344 3.051 20 30 CGEDHN N#Cc1c(CN2C[C@H]3CCC[C@@H]3C2)cn2ccccc12 ZINC000153340564 392514722 /nfs/dbraw/zinc/51/47/22/392514722.db2.gz RBMBEMQGZJVYGS-ZIAGYGMSSA-N 0 3 265.360 3.043 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000371680073 392545334 /nfs/dbraw/zinc/54/53/34/392545334.db2.gz HINLIMXLGLDQJA-GOSISDBHSA-N 0 3 277.371 3.018 20 30 CGEDHN COc1ccccc1C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000177856560 392668475 /nfs/dbraw/zinc/66/84/75/392668475.db2.gz DUPIPKVCJGXXBO-CYBMUJFWSA-N 0 3 298.361 3.427 20 30 CGEDHN C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000374271775 392674433 /nfs/dbraw/zinc/67/44/33/392674433.db2.gz HQCSLNUHOZNSJG-HZPDHXFCSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC(C)=C(c2ccco2)C1 ZINC000374512896 392679728 /nfs/dbraw/zinc/67/97/28/392679728.db2.gz IKTRHUAMJXOGAO-CQSZACIVSA-N 0 3 261.365 3.086 20 30 CGEDHN COc1ccc([C@@H](C)NCCCCC#N)c(F)c1 ZINC000178641143 392682591 /nfs/dbraw/zinc/68/25/91/392682591.db2.gz QGKAAYLKGQTKED-LLVKDONJSA-N 0 3 250.317 3.179 20 30 CGEDHN C=CCCCC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000178921549 392685647 /nfs/dbraw/zinc/68/56/47/392685647.db2.gz ZDWFRHHYDNOYOW-UHFFFAOYSA-N 0 3 288.435 3.370 20 30 CGEDHN CC(C)(C#N)CCCN1CCN(CCc2ccccc2)CC1 ZINC000174813655 392645779 /nfs/dbraw/zinc/64/57/79/392645779.db2.gz FWPKNZLLHAQJOJ-UHFFFAOYSA-N 0 3 299.462 3.177 20 30 CGEDHN CC[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(C#N)cc1 ZINC000373172720 392658642 /nfs/dbraw/zinc/65/86/42/392658642.db2.gz KIDYIOSDDIZVLZ-IPMKNSEASA-N 0 3 292.382 3.257 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(Nc3ccc(F)cc3)CC2)C1 ZINC000334263898 392716258 /nfs/dbraw/zinc/71/62/58/392716258.db2.gz KFYWFBUWLXOCJW-GUYCJALGSA-N 0 3 287.382 3.394 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)COc1cccc2ccccc21 ZINC000181246819 392723287 /nfs/dbraw/zinc/72/32/87/392723287.db2.gz JORCDMVUZXDCJL-MRXNPFEDSA-N 0 3 285.387 3.087 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000335730495 392812314 /nfs/dbraw/zinc/81/23/14/392812314.db2.gz STUIEPBDZDFWBR-BLLLJJGKSA-N 0 3 281.359 3.381 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)[C@@H]1CCCCO1 ZINC000381731919 392913314 /nfs/dbraw/zinc/91/33/14/392913314.db2.gz XCJMZFNDNYACAT-HOCLYGCPSA-N 0 3 275.392 3.299 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000524756896 392935980 /nfs/dbraw/zinc/93/59/80/392935980.db2.gz PMGFAWXBSVZLRA-XQQFMLRXSA-N 0 3 260.406 3.445 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1-n1cccn1 ZINC000339070251 392945477 /nfs/dbraw/zinc/94/54/77/392945477.db2.gz ZUGXUBZZANYVPD-RRFJBIMHSA-N 0 3 280.375 3.215 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCCCS2)cc1F ZINC000404155163 392963122 /nfs/dbraw/zinc/96/31/22/392963122.db2.gz VFEYYHFIMGJSGT-ZDUSSCGKSA-N 0 3 264.369 3.073 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000411657311 392984942 /nfs/dbraw/zinc/98/49/42/392984942.db2.gz GJNSZZMOOODQEC-ZBFHGGJFSA-N 0 3 290.382 3.499 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000533446891 392995838 /nfs/dbraw/zinc/99/58/38/392995838.db2.gz WSZBLCDBMGOTOP-SJLPKXTDSA-N 0 3 280.346 3.418 20 30 CGEDHN C=CCCN(C)Cc1cc2cc(Cl)cnc2o1 ZINC000648539172 393093276 /nfs/dbraw/zinc/09/32/76/393093276.db2.gz SUJOVEMQMCJMEZ-UHFFFAOYSA-N 0 3 250.729 3.489 20 30 CGEDHN CC1(C)CC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000346125027 393076531 /nfs/dbraw/zinc/07/65/31/393076531.db2.gz YDANIGGXBRCRHU-HUUCEWRRSA-N 0 3 270.376 3.064 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000346117191 393077027 /nfs/dbraw/zinc/07/70/27/393077027.db2.gz XMQCGWABSXIHPT-QWRGUYRKSA-N 0 3 298.308 3.254 20 30 CGEDHN C=CCN(CCc1cncc(C)n1)Cc1ccc(OC)cc1 ZINC000649492128 393451951 /nfs/dbraw/zinc/45/19/51/393451951.db2.gz LVMRAYFRLVNMEN-UHFFFAOYSA-N 0 3 297.402 3.024 20 30 CGEDHN CCCC[C@@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000356510628 393467904 /nfs/dbraw/zinc/46/79/04/393467904.db2.gz WRVIWKQHZFGREI-CYBMUJFWSA-N 0 3 270.380 3.216 20 30 CGEDHN Cc1cc(CN2CCN(C3CCCCC3)CC2)ccc1C#N ZINC000488196149 393469696 /nfs/dbraw/zinc/46/96/96/393469696.db2.gz MFFFVLRJENYIAD-UHFFFAOYSA-N 0 3 297.446 3.317 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000359306906 393543759 /nfs/dbraw/zinc/54/37/59/393543759.db2.gz NDZOFFGBTIHQLM-UONOGXRCSA-N 0 3 270.376 3.163 20 30 CGEDHN CC(C)(C)C[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000488681024 393544673 /nfs/dbraw/zinc/54/46/73/393544673.db2.gz FXRSMNXFMRKSDJ-INIZCTEOSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000359071578 393534557 /nfs/dbraw/zinc/53/45/57/393534557.db2.gz LNUOSSYGCNHOMB-NVXWUHKLSA-N 0 3 286.419 3.294 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1Cl ZINC000489469057 393599552 /nfs/dbraw/zinc/59/95/52/393599552.db2.gz CPYPHZWAVVGUEB-ZIAGYGMSSA-N 0 3 295.810 3.120 20 30 CGEDHN C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000361028921 393650320 /nfs/dbraw/zinc/65/03/20/393650320.db2.gz FTVZJJKJCPQJLW-FABXCBLPSA-N 0 3 288.366 3.306 20 30 CGEDHN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)CN1C ZINC000443514366 393761101 /nfs/dbraw/zinc/76/11/01/393761101.db2.gz FSQWGRLMBKURPL-QWRGUYRKSA-N 0 3 297.324 3.106 20 30 CGEDHN CC1(C)CCCN(CCNc2ccc(F)cc2C#N)C1 ZINC000443954227 393778274 /nfs/dbraw/zinc/77/82/74/393778274.db2.gz BSKNVXKDUWSCKL-UHFFFAOYSA-N 0 3 275.371 3.231 20 30 CGEDHN N#Cc1csc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449541747 393891483 /nfs/dbraw/zinc/89/14/83/393891483.db2.gz OUJLTHORWXWQSM-GJZGRUSLSA-N 0 3 258.390 3.240 20 30 CGEDHN N#Cc1csc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449541749 393891513 /nfs/dbraw/zinc/89/15/13/393891513.db2.gz OUJLTHORWXWQSM-LSDHHAIUSA-N 0 3 258.390 3.240 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2cc(C#N)n(C)c2)[C@@H]1C(C)C ZINC000449559765 393902604 /nfs/dbraw/zinc/90/26/04/393902604.db2.gz ZAPKCHLMYQXIEJ-JKSUJKDBSA-N 0 3 259.397 3.009 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000667745705 542925088 /nfs/dbraw/zinc/92/50/88/542925088.db2.gz QFDQQAWWCFFTIX-CYBMUJFWSA-N 0 3 287.407 3.199 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(COC)on1 ZINC000668434669 543012433 /nfs/dbraw/zinc/01/24/33/543012433.db2.gz PWLHHQPPSFNNFS-IUODEOHRSA-N 0 3 264.369 3.046 20 30 CGEDHN COCC#CCN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000676846383 543421335 /nfs/dbraw/zinc/42/13/35/543421335.db2.gz GFBYDPZMQINGKQ-ZDUSSCGKSA-N 0 3 271.335 3.279 20 30 CGEDHN Cc1ccc(NC[C@H](c2ccc(F)cc2)N(C)C)nc1C#N ZINC000302618763 292161429 /nfs/dbraw/zinc/16/14/29/292161429.db2.gz GMTRMEMVUFWWAU-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000678235697 543498573 /nfs/dbraw/zinc/49/85/73/543498573.db2.gz YHCMLQPAIQHLIV-QGZVFWFLSA-N 0 3 297.402 3.285 20 30 CGEDHN C=C(CC)CN[C@H](Cn1cccn1)c1ccccc1 ZINC000678626559 543547272 /nfs/dbraw/zinc/54/72/72/543547272.db2.gz GBGYSEGHYWBPQB-MRXNPFEDSA-N 0 3 255.365 3.180 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000678745325 543552488 /nfs/dbraw/zinc/55/24/88/543552488.db2.gz QCLIIIROXHPNII-BBRMVZONSA-N 0 3 263.381 3.061 20 30 CGEDHN C=CCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000678780861 543557729 /nfs/dbraw/zinc/55/77/29/543557729.db2.gz RZACYZJAKKVQLG-GFCCVEGCSA-N 0 3 259.271 3.169 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)C[C@H]1C ZINC000121031602 287191430 /nfs/dbraw/zinc/19/14/30/287191430.db2.gz OHIUPFHJJZYBTQ-CHWSQXEVSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H]1CCCCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000334778754 287250385 /nfs/dbraw/zinc/25/03/85/287250385.db2.gz GECGOBAYBYJBAJ-RHSMWYFYSA-N 0 3 295.386 3.032 20 30 CGEDHN C=CCN(Cc1cccs1)[C@@H]1CCO[C@H](C)C1 ZINC000420904395 416562485 /nfs/dbraw/zinc/56/24/85/416562485.db2.gz PJPWBQKJCJIPNL-CHWSQXEVSA-N 0 3 251.395 3.304 20 30 CGEDHN C=C(C)CN(C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000679219693 543601269 /nfs/dbraw/zinc/60/12/69/543601269.db2.gz SPSHUTRRBIPBOE-UHFFFAOYSA-N 0 3 253.729 3.077 20 30 CGEDHN C=CCOCCN[C@H]1CCc2c1cccc2Cl ZINC000679462393 543637595 /nfs/dbraw/zinc/63/75/95/543637595.db2.gz CBPUFFUVWYVWIU-AWEZNQCLSA-N 0 3 251.757 3.120 20 30 CGEDHN C=CCOCCN[C@H]1CCSc2ccc(F)cc21 ZINC000679576157 543647997 /nfs/dbraw/zinc/64/79/97/543647997.db2.gz JGSFVRWAYIBSPW-ZDUSSCGKSA-N 0 3 267.369 3.155 20 30 CGEDHN C=CCOCCN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000679576759 543648386 /nfs/dbraw/zinc/64/83/86/543648386.db2.gz SPTQSNXMTVBOLO-LRDDRELGSA-N 0 3 263.356 3.241 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc(C)ccc1OC(F)F ZINC000679576024 543648416 /nfs/dbraw/zinc/64/84/16/543648416.db2.gz GULZVDYHEFTXPN-GFCCVEGCSA-N 0 3 285.334 3.450 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc2c(s1)CCC2 ZINC000679576799 543648680 /nfs/dbraw/zinc/64/86/80/543648680.db2.gz UPNFUXUJFJVXPX-NSHDSACASA-N 0 3 251.395 3.090 20 30 CGEDHN CO[C@H](CNCc1cccc(OCCCC#N)c1)C(C)C ZINC000344718753 225154971 /nfs/dbraw/zinc/15/49/71/225154971.db2.gz UQUXKNDYWKSDMO-QGZVFWFLSA-N 0 3 290.407 3.130 20 30 CGEDHN CCC#C[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000680427676 543710606 /nfs/dbraw/zinc/71/06/06/543710606.db2.gz WTJJYHGBHCMSEC-ZOMKSWQUSA-N 0 3 257.377 3.331 20 30 CGEDHN CC(C#N)C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000334852032 225337576 /nfs/dbraw/zinc/33/75/76/225337576.db2.gz JXSRKLJNDRALNS-KDOFPFPSSA-N 0 3 290.366 3.472 20 30 CGEDHN Cc1cccc(CN(Cc2ccco2)C(=O)C(C)C#N)c1 ZINC000347061306 226010493 /nfs/dbraw/zinc/01/04/93/226010493.db2.gz FDSJNORWRNCVOW-CQSZACIVSA-N 0 3 282.343 3.277 20 30 CGEDHN N#CCCCCN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347347022 226121216 /nfs/dbraw/zinc/12/12/16/226121216.db2.gz QWBAMGLJEWDIAH-CABCVRRESA-N 0 3 290.432 3.181 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000685599290 544088493 /nfs/dbraw/zinc/08/84/93/544088493.db2.gz LOFULCNXAVAURH-CRAIPNDOSA-N 0 3 283.415 3.472 20 30 CGEDHN C=CCN1CCC(NC(=O)N(CCCCC)C(C)C)CC1 ZINC000171737815 335076597 /nfs/dbraw/zinc/07/65/97/335076597.db2.gz HFRLGJHQDMPRBD-UHFFFAOYSA-N 0 3 295.471 3.247 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(C(F)F)cc2)C1 ZINC000354640488 227054729 /nfs/dbraw/zinc/05/47/29/227054729.db2.gz VJGTUFVRSLUZEI-DGCLKSJQSA-N 0 3 250.292 3.406 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000336534945 227099703 /nfs/dbraw/zinc/09/97/03/227099703.db2.gz ONVSOMIZSLFJIK-ZDUSSCGKSA-N 0 3 276.339 3.225 20 30 CGEDHN C=CCC[C@@H](NCCC1(CO)CCC1)c1ccco1 ZINC000652312264 418951443 /nfs/dbraw/zinc/95/14/43/418951443.db2.gz KTKPRAHHJPMDRN-CQSZACIVSA-N 0 3 263.381 3.429 20 30 CGEDHN C=CCCn1cc(CN(CC(C)C)C2CCCC2)nn1 ZINC000653519946 419042574 /nfs/dbraw/zinc/04/25/74/419042574.db2.gz OCSADNFMQYRADQ-UHFFFAOYSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CNC(C)(C)CC(C)(C)C)nn1 ZINC000653540475 419044036 /nfs/dbraw/zinc/04/40/36/419044036.db2.gz JRHYDOJHQCUBCP-UHFFFAOYSA-N 0 3 264.417 3.159 20 30 CGEDHN C=CCCCCCN[C@H](C)c1nnc2n1CCCCC2 ZINC000660266229 419118028 /nfs/dbraw/zinc/11/80/28/419118028.db2.gz SQUUKOAHSUVUPT-CQSZACIVSA-N 0 3 276.428 3.402 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@@H](N)CCC)nn1 ZINC000656457025 419173052 /nfs/dbraw/zinc/17/30/52/419173052.db2.gz CQCSOLGRVSTHHG-HOTGVXAUSA-N 0 3 284.407 3.438 20 30 CGEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000661379410 419255374 /nfs/dbraw/zinc/25/53/74/419255374.db2.gz YASOYFNUZDHLRQ-HUUCEWRRSA-N 0 3 272.392 3.302 20 30 CGEDHN C=CCCn1cc(CNCC[C@H]2CCC[C@H](C)C2)nn1 ZINC000657362652 419260684 /nfs/dbraw/zinc/26/06/84/419260684.db2.gz FOWBSKFIKHZMJJ-LSDHHAIUSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1F)C(C)C ZINC000661484639 419263754 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264221820 /nfs/dbraw/zinc/22/18/20/264221820.db2.gz WAPBLVFOXGYHDW-CYBMUJFWSA-N 0 3 278.371 3.489 20 30 CGEDHN C=CCCCCN[C@@H](C)c1cc(OC)ncc1F ZINC000286858504 264593411 /nfs/dbraw/zinc/59/34/11/264593411.db2.gz ACRFTCYNEYRQML-NSHDSACASA-N 0 3 252.333 3.236 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000334917311 265080250 /nfs/dbraw/zinc/08/02/50/265080250.db2.gz WLOZSMAINJTNMT-NXEZZACHSA-N 0 3 295.180 3.128 20 30 CGEDHN COc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1F ZINC000345930057 265102381 /nfs/dbraw/zinc/10/23/81/265102381.db2.gz BNELEXPFSINZPR-LLVKDONJSA-N 0 3 264.344 3.425 20 30 CGEDHN C=CCOCCCN(C)[C@H](C)c1ccccc1F ZINC000347966565 265139069 /nfs/dbraw/zinc/13/90/69/265139069.db2.gz HCCLNSCNYMQVQO-CYBMUJFWSA-N 0 3 251.345 3.411 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000357822902 266373055 /nfs/dbraw/zinc/37/30/55/266373055.db2.gz JVFDGKVJXKPHOI-SKDRFNHKSA-N 0 3 250.729 3.067 20 30 CGEDHN CC(C)CCN(CCC#N)C(=O)[C@H](C)N1CCCCCC1 ZINC000360110085 266684566 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/nfs/dbraw/zinc/05/94/09/268059409.db2.gz KZXOWJUPSMNAIM-MRXNPFEDSA-N 0 3 296.345 3.099 20 30 CGEDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000532967381 270220358 /nfs/dbraw/zinc/22/03/58/270220358.db2.gz AVJMGZRXABADCW-PBHICJAKSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@H]1CCC[C@H](C)C1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459479183 274557178 /nfs/dbraw/zinc/55/71/78/274557178.db2.gz UURPKQTYEQRVAE-RYUDHWBXSA-N 0 3 287.363 3.381 20 30 CGEDHN CCN(CCOC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356082453 276133532 /nfs/dbraw/zinc/13/35/32/276133532.db2.gz HXIIFIWFKHEZRA-UHFFFAOYSA-N 0 3 286.297 3.045 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCC2(CN(C)C)CCCC2)c1 ZINC000302179373 277106773 /nfs/dbraw/zinc/10/67/73/277106773.db2.gz YSFVFRKIWZVLNC-UHFFFAOYSA-N 0 3 299.418 3.295 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187259033 277828084 /nfs/dbraw/zinc/82/80/84/277828084.db2.gz QKGXRSPOBMVGPY-YOEHRIQHSA-N 0 3 274.408 3.150 20 30 CGEDHN COc1cccc2c1CC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000192957607 278034049 /nfs/dbraw/zinc/03/40/49/278034049.db2.gz OJHPXFHSOSCQFT-XEZPLFJOSA-N 0 3 270.376 3.354 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 ZINC000290462113 278364611 /nfs/dbraw/zinc/36/46/11/278364611.db2.gz WNYXZAHDFQXPBM-IYOUNJFTSA-N 0 3 280.371 3.331 20 30 CGEDHN C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(C#N)cc1 ZINC000036991956 278370675 /nfs/dbraw/zinc/37/06/75/278370675.db2.gz IQZPCJVXPZCQOE-MLGOLLRUSA-N 0 3 280.375 3.020 20 30 CGEDHN CCCC[C@H](COC)N[C@H](C)c1ccc(C#N)cc1 ZINC000174112650 278737566 /nfs/dbraw/zinc/73/75/66/278737566.db2.gz ZWOAOFMGDBACJB-CZUORRHYSA-N 0 3 260.381 3.414 20 30 CGEDHN Cc1ccccc1[C@H](CO)N[C@H](C)c1ccc(C#N)cc1 ZINC000540595535 288662952 /nfs/dbraw/zinc/66/29/52/288662952.db2.gz XVUOUGCJOKZCLP-KDOFPFPSSA-N 0 3 280.371 3.251 20 30 CGEDHN COC(=O)c1cccc(CN[C@H]2CCCC[C@H]2C)c1C#N ZINC000548114975 288990654 /nfs/dbraw/zinc/99/06/54/288990654.db2.gz SWFIXEBXSTWEPH-WBMJQRKESA-N 0 3 286.375 3.013 20 30 CGEDHN N#Cc1cccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC000548385516 289002739 /nfs/dbraw/zinc/00/27/39/289002739.db2.gz QSYBDSNOXZDJDL-KRWDZBQOSA-N 0 3 297.402 3.294 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000334149329 289235742 /nfs/dbraw/zinc/23/57/42/289235742.db2.gz HHIKTFLMARVBKF-MFKMUULPSA-N 0 3 262.740 3.163 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc(OC)cc1 ZINC000054183562 327887885 /nfs/dbraw/zinc/88/78/85/327887885.db2.gz TZJLOUDUPKRQON-DZGCQCFKSA-N 0 3 260.381 3.298 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000278697899 328229935 /nfs/dbraw/zinc/22/99/35/328229935.db2.gz SUVLKHZCXODJHC-UKRRQHHQSA-N 0 3 292.386 3.344 20 30 CGEDHN N#CCCOCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000292948054 328274192 /nfs/dbraw/zinc/27/41/92/328274192.db2.gz BLACCBVUPDMLBT-UHFFFAOYSA-N 0 3 278.783 3.235 20 30 CGEDHN CN(CCOCCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000293434993 328276164 /nfs/dbraw/zinc/27/61/64/328276164.db2.gz JNHUHHVMALQERJ-UHFFFAOYSA-N 0 3 287.190 3.355 20 30 CGEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(=O)[nH]n1 ZINC000340443317 328278061 /nfs/dbraw/zinc/27/80/61/328278061.db2.gz GGHXWLROZBBURV-XJKSGUPXSA-N 0 3 296.374 3.268 20 30 CGEDHN C#CCN(CCCCn1ccnc1C)Cc1ccc(F)cc1 ZINC000119596152 328307134 /nfs/dbraw/zinc/30/71/34/328307134.db2.gz WKCAPWGYXCSJPJ-UHFFFAOYSA-N 0 3 299.393 3.246 20 30 CGEDHN C[C@H]1CN(Cc2cccc(C#N)c2)c2cc(F)ccc2CN1 ZINC000565043343 322056499 /nfs/dbraw/zinc/05/64/99/322056499.db2.gz DOWXHNAMVOPAHO-ZDUSSCGKSA-N 0 3 295.361 3.196 20 30 CGEDHN CCC[C@H](C)[C@H](CO)NCc1ccc(C#N)cc1Cl ZINC000565050270 322057523 /nfs/dbraw/zinc/05/75/23/322057523.db2.gz ZKQBTSKPJUCFRN-NHYWBVRUSA-N 0 3 280.799 3.098 20 30 CGEDHN C[C@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566681307 322134027 /nfs/dbraw/zinc/13/40/27/322134027.db2.gz GVBIHPJRGQDYBS-NSHDSACASA-N 0 3 273.336 3.229 20 30 CGEDHN CC[C@@H](C)[C@H](C)N(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000569464497 322248088 /nfs/dbraw/zinc/24/80/88/322248088.db2.gz HTLXCZBQVCOERC-KGLIPLIRSA-N 0 3 299.418 3.396 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000569851955 322258944 /nfs/dbraw/zinc/25/89/44/322258944.db2.gz NERNHVTTWQRTHP-LBPRGKRZSA-N 0 3 275.352 3.333 20 30 CGEDHN C[C@H](N[C@H]1COc2cc(F)ccc2C1)c1cccc(C#N)c1 ZINC000572856971 322358649 /nfs/dbraw/zinc/35/86/49/322358649.db2.gz JPTDCTAXWMSYNY-YVEFUNNKSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCC(C)(C)CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415893062 328429764 /nfs/dbraw/zinc/42/97/64/328429764.db2.gz JQUUZJUQWKALIQ-UHFFFAOYSA-N 0 3 287.407 3.056 20 30 CGEDHN C=C(C)CN1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000291383175 328534427 /nfs/dbraw/zinc/53/44/27/328534427.db2.gz AXECJUOVKAMQLV-QGZVFWFLSA-N 0 3 275.392 3.017 20 30 CGEDHN C=CCCCCN[C@@H](c1nnc2ccccn21)C(C)C ZINC000560239468 327292263 /nfs/dbraw/zinc/29/22/63/327292263.db2.gz OWNOZDXBTJJXAS-OAHLLOKOSA-N 0 3 272.396 3.372 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(c2ccccc2)CC1 ZINC000157540932 327435969 /nfs/dbraw/zinc/43/59/69/327435969.db2.gz LSBBJYFBBBNUHP-UHFFFAOYSA-N 0 3 271.408 3.139 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000565151860 327523084 /nfs/dbraw/zinc/52/30/84/327523084.db2.gz RMUPZMLZQWDTFM-LLVKDONJSA-N 0 3 276.355 3.012 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC)c(OC(F)F)c1)C(C)C ZINC000289554400 327531047 /nfs/dbraw/zinc/53/10/47/327531047.db2.gz RIWGJLKWYOYSHZ-GFCCVEGCSA-N 0 3 283.318 3.044 20 30 CGEDHN CN(C)Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1F ZINC000361426080 328925400 /nfs/dbraw/zinc/92/54/00/328925400.db2.gz LKZFIRYNCAVHEP-BBRMVZONSA-N 0 3 289.398 3.059 20 30 CGEDHN C#Cc1ccc(CNC[C@@H]2OCCc3ccccc32)cc1 ZINC000377652760 329023096 /nfs/dbraw/zinc/02/30/96/329023096.db2.gz QJOCTGUYEWROQT-IBGZPJMESA-N 0 3 277.367 3.072 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000177905616 329190139 /nfs/dbraw/zinc/19/01/39/329190139.db2.gz LWNJAFBBYMMAJI-LBPRGKRZSA-N 0 3 280.362 3.266 20 30 CGEDHN C=CCOc1cccc(CN(C)CCOCC2CC2)c1 ZINC000180098798 329215426 /nfs/dbraw/zinc/21/54/26/329215426.db2.gz BNMSAKDXZXWAJV-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN C=C(C)[C@@H](NCCn1ccnc1)c1ccc(F)c(F)c1 ZINC000187773666 329360785 /nfs/dbraw/zinc/36/07/85/329360785.db2.gz VCMPOFGOEBNUFZ-OAHLLOKOSA-N 0 3 277.318 3.068 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCOc3c(F)cccc32)C1 ZINC000193333157 329440417 /nfs/dbraw/zinc/44/04/17/329440417.db2.gz VURWFVQDLDYNPI-HUBLWGQQSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCC(C)(C)CN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000419164695 329709933 /nfs/dbraw/zinc/70/99/33/329709933.db2.gz AOHAVIJJDXIWRX-OAHLLOKOSA-N 0 3 274.408 3.008 20 30 CGEDHN COc1ccc(OC)c([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248924790 329902557 /nfs/dbraw/zinc/90/25/57/329902557.db2.gz XAQDMRGLSHJVHD-BFHYXJOUSA-N 0 3 288.391 3.437 20 30 CGEDHN C=CCCCCCCNCc1cc(C(N)=O)cs1 ZINC000290083479 330016675 /nfs/dbraw/zinc/01/66/75/330016675.db2.gz JAJYSQKLKWKEEQ-UHFFFAOYSA-N 0 3 266.410 3.073 20 30 CGEDHN N#CCCCNCc1ccc(Cl)c(Br)c1 ZINC000273118164 330090318 /nfs/dbraw/zinc/09/03/18/330090318.db2.gz YVXWMBIWYZVQDZ-UHFFFAOYSA-N 0 3 287.588 3.496 20 30 CGEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc2ccccc21 ZINC000424066546 330219264 /nfs/dbraw/zinc/21/92/64/330219264.db2.gz NOLPIWDACWOEJY-GUYCJALGSA-N 0 3 295.386 3.038 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3cccc(F)c3)CC2)C1 ZINC000527936604 330298015 /nfs/dbraw/zinc/29/80/15/330298015.db2.gz POQJRVNRLAFTFO-DZGCQCFKSA-N 0 3 288.366 3.361 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(OC)cc1F ZINC000424290028 330334490 /nfs/dbraw/zinc/33/44/90/330334490.db2.gz ARNACGNSYZWIIV-MKBNYLNASA-N 0 3 279.355 3.076 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000424293674 330335390 /nfs/dbraw/zinc/33/53/90/330335390.db2.gz JCRUEGBCBXFHTG-JYJNAYRXSA-N 0 3 289.423 3.212 20 30 CGEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000424316117 330339480 /nfs/dbraw/zinc/33/94/80/330339480.db2.gz ANGICFYTEZKAIZ-QEORTHHSSA-N 0 3 270.376 3.354 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000424327593 330341682 /nfs/dbraw/zinc/34/16/82/330341682.db2.gz MYODMNXBDOHXBR-NORZTCDRSA-N 0 3 285.347 3.254 20 30 CGEDHN COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000424334461 330343083 /nfs/dbraw/zinc/34/30/83/330343083.db2.gz VPBRBTYJRQECRE-FRRDWIJNSA-N 0 3 274.364 3.047 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCOc2cc(C)ccc21 ZINC000090451202 330392608 /nfs/dbraw/zinc/39/26/08/330392608.db2.gz MVGLLMFJKCBNDJ-INIZCTEOSA-N 0 3 275.392 3.391 20 30 CGEDHN C=CC1CCN(Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000093359252 330419573 /nfs/dbraw/zinc/41/95/73/330419573.db2.gz SVTMYXBEIIJRGS-UHFFFAOYSA-N 0 3 291.391 3.110 20 30 CGEDHN C[C@@H](C#N)CN[C@@H](C)CCc1ccc(F)cc1F ZINC000515344949 330475640 /nfs/dbraw/zinc/47/56/40/330475640.db2.gz XQLMHHBGJWAVQI-QWRGUYRKSA-N 0 3 252.308 3.035 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000429701242 330552924 /nfs/dbraw/zinc/55/29/24/330552924.db2.gz TYCMSWAWMQDVHL-SJKOYZFVSA-N 0 3 286.375 3.191 20 30 CGEDHN Cc1c([C@@H](C)NCC2(CC#N)CC2)cnn1C(C)C ZINC000430732543 330571802 /nfs/dbraw/zinc/57/18/02/330571802.db2.gz BLWRUFFZJNMTLE-GFCCVEGCSA-N 0 3 260.385 3.117 20 30 CGEDHN CC(C)C(=O)Nc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442649603 330778149 /nfs/dbraw/zinc/77/81/49/330778149.db2.gz NDFYVNHIELSSJT-ZBFHGGJFSA-N 0 3 285.391 3.063 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000442784532 330783183 /nfs/dbraw/zinc/78/31/83/330783183.db2.gz PWSBEYUZYCUTGG-AAEUAGOBSA-N 0 3 298.308 3.366 20 30 CGEDHN CCc1cnccc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000446809334 330854764 /nfs/dbraw/zinc/85/47/64/330854764.db2.gz IEWAORRKQAOGKN-KCQAQPDRSA-N 0 3 257.381 3.377 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](C)c1cc(C(=O)OC)co1 ZINC000447580850 330871155 /nfs/dbraw/zinc/87/11/55/330871155.db2.gz QLOVJRWAHXKIIB-VXGBXAGGSA-N 0 3 265.353 3.462 20 30 CGEDHN CC1(C)OCC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000449412394 330923523 /nfs/dbraw/zinc/92/35/23/330923523.db2.gz CKZGDYOEIGYECA-INIZCTEOSA-N 0 3 288.391 3.026 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449697444 330944551 /nfs/dbraw/zinc/94/45/51/330944551.db2.gz KZHILXBJLILLST-ZYHUDNBSSA-N 0 3 285.309 3.008 20 30 CGEDHN N#CCCOCCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451357074 331025609 /nfs/dbraw/zinc/02/56/09/331025609.db2.gz SIXVGAZNQBBSNF-OAHLLOKOSA-N 0 3 296.773 3.450 20 30 CGEDHN CCCCN(CC1(C#N)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451647357 331037882 /nfs/dbraw/zinc/03/78/82/331037882.db2.gz AYIQEFFCQNAMGS-HUUCEWRRSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000451670533 331038221 /nfs/dbraw/zinc/03/82/21/331038221.db2.gz DFGNQOVUYCAWLG-OLZOCXBDSA-N 0 3 278.396 3.037 20 30 CGEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cn[nH]c1 ZINC000453224453 331103469 /nfs/dbraw/zinc/10/34/69/331103469.db2.gz AWTBJXXOIBLLSM-XJKSGUPXSA-N 0 3 268.364 3.495 20 30 CGEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cn[nH]c1 ZINC000453224445 331103483 /nfs/dbraw/zinc/10/34/83/331103483.db2.gz AWTBJXXOIBLLSM-BBRMVZONSA-N 0 3 268.364 3.495 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccccc1OC ZINC000453355539 331121443 /nfs/dbraw/zinc/12/14/43/331121443.db2.gz LQJKTCHENBRNGU-KFWWJZLASA-N 0 3 261.365 3.079 20 30 CGEDHN C=CC(C)(C)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000454307106 331143919 /nfs/dbraw/zinc/14/39/19/331143919.db2.gz VXNTZOUCLONNLS-UHFFFAOYSA-N 0 3 275.396 3.082 20 30 CGEDHN C=CCCCCC[N@@H+](C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459337989 331276793 /nfs/dbraw/zinc/27/67/93/331276793.db2.gz KEEKBZCQEULDSO-UHFFFAOYSA-N 0 3 275.396 3.238 20 30 CGEDHN C=CCCCCC[N@H+](C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459337989 331276794 /nfs/dbraw/zinc/27/67/94/331276794.db2.gz KEEKBZCQEULDSO-UHFFFAOYSA-N 0 3 275.396 3.238 20 30 CGEDHN CC#CCCN[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459477563 331283981 /nfs/dbraw/zinc/28/39/81/331283981.db2.gz HNDIHRRNFOJFTM-BRWVUGGUSA-N 0 3 289.444 3.328 20 30 CGEDHN COc1ccccc1/C=C/CNCC(C)(C)CC#N ZINC000459683630 331294260 /nfs/dbraw/zinc/29/42/60/331294260.db2.gz CLMFAXHHTNCGLR-SOFGYWHQSA-N 0 3 258.365 3.238 20 30 CGEDHN C=CCCCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000474080412 331568580 /nfs/dbraw/zinc/56/85/80/331568580.db2.gz MOZWYTFXEZCKGQ-UHFFFAOYSA-N 0 3 295.471 3.106 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000489283372 332045179 /nfs/dbraw/zinc/04/51/79/332045179.db2.gz AJBKGMCLUMHYRO-GOEBONIOSA-N 0 3 270.376 3.160 20 30 CGEDHN C[C@@H]1OCC[C@]1(C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000494234416 332467753 /nfs/dbraw/zinc/46/77/53/332467753.db2.gz PHQBGKNVEPTVKB-WFASDCNBSA-N 0 3 297.320 3.214 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248823319 334318323 /nfs/dbraw/zinc/31/83/23/334318323.db2.gz WJCPVIMHFFNRMW-NWDGAFQWSA-N 0 3 279.346 3.224 20 30 CGEDHN C=CCCC[C@@H](C)N(CC)CC(=O)N1CCCCCC1 ZINC000513218408 333009269 /nfs/dbraw/zinc/00/92/69/333009269.db2.gz MDXNNLUYUNSZBE-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN N#CCC[C@@H](C#N)CNCCc1cccc2ccccc21 ZINC000521091160 333111536 /nfs/dbraw/zinc/11/15/36/333111536.db2.gz VLUAGEMRXVZZDD-HNNXBMFYSA-N 0 3 277.371 3.415 20 30 CGEDHN CC(C)C[C@H](CO)N(C)CC#Cc1ccc(Cl)cc1 ZINC000185332887 333138829 /nfs/dbraw/zinc/13/88/29/333138829.db2.gz BITZTDLLGJZOKT-MRXNPFEDSA-N 0 3 279.811 3.030 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cccc3cccnc32)C1 ZINC000185882633 333150924 /nfs/dbraw/zinc/15/09/24/333150924.db2.gz FAVQNBJMWRLWCB-XJKSGUPXSA-N 0 3 265.360 3.407 20 30 CGEDHN CCC[C@@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000189341602 333190698 /nfs/dbraw/zinc/19/06/98/333190698.db2.gz RCKQIRBBYJVTLU-WBVHZDCISA-N 0 3 271.408 3.057 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000223003238 333203269 /nfs/dbraw/zinc/20/32/69/333203269.db2.gz XVUZGECJGXQNEN-MGPQQGTHSA-N 0 3 295.427 3.104 20 30 CGEDHN CCc1ccc([C@@H](NC(=O)C(C)C#N)C(C)C)cc1 ZINC000522846548 333296700 /nfs/dbraw/zinc/29/67/00/333296700.db2.gz LHILEGWOGRXZHT-WFASDCNBSA-N 0 3 258.365 3.222 20 30 CGEDHN CCc1ccc([C@@H](NC(=O)C(C)C#N)C(C)C)cc1 ZINC000522846545 333296770 /nfs/dbraw/zinc/29/67/70/333296770.db2.gz LHILEGWOGRXZHT-DOMZBBRYSA-N 0 3 258.365 3.222 20 30 CGEDHN C[C@H]1c2c(F)cccc2CCN1CCCSCC#N ZINC000524791712 333388181 /nfs/dbraw/zinc/38/81/81/333388181.db2.gz MJHJJGNVHUARAI-LBPRGKRZSA-N 0 3 278.396 3.392 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](c2cccc(C)c2)C(C)C)C1=O ZINC000528771126 333456679 /nfs/dbraw/zinc/45/66/79/333456679.db2.gz RLVAQTTUFFXFTM-DLBZAZTESA-N 0 3 286.419 3.069 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539197110 333660401 /nfs/dbraw/zinc/66/04/01/333660401.db2.gz LNTZZGIEPYGLCD-QGZVFWFLSA-N 0 3 297.446 3.421 20 30 CGEDHN N#CCC1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000542853114 333845343 /nfs/dbraw/zinc/84/53/43/333845343.db2.gz DSWLXECGNIDQES-UHFFFAOYSA-N 0 3 280.318 3.414 20 30 CGEDHN Cc1cccnc1[C@H]1CCC[C@@H](NCC2(C#N)CC2)C1 ZINC000546699240 334046874 /nfs/dbraw/zinc/04/68/74/334046874.db2.gz XWPFMORQXWFPHG-LSDHHAIUSA-N 0 3 269.392 3.310 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000076738492 334088347 /nfs/dbraw/zinc/08/83/47/334088347.db2.gz KDIQJYBRJXFTPX-CQSZACIVSA-N 0 3 274.408 3.474 20 30 CGEDHN C=C(C)COCCNCc1cccc(-c2ccncc2)c1 ZINC000134500847 334092391 /nfs/dbraw/zinc/09/23/91/334092391.db2.gz DZBYZSTYTLEFQQ-UHFFFAOYSA-N 0 3 282.387 3.431 20 30 CGEDHN CC(C)c1nc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)no1 ZINC000549401668 334192498 /nfs/dbraw/zinc/19/24/98/334192498.db2.gz SHOWQJGDWQPROC-OCCSQVGLSA-N 0 3 288.395 3.065 20 30 CGEDHN C=CCCCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549618046 334199738 /nfs/dbraw/zinc/19/97/38/334199738.db2.gz XTQRACBAXIVXIC-HNNXBMFYSA-N 0 3 294.826 3.415 20 30 CGEDHN Cc1cccc2c(CCNC[C@H](C#N)CCC#N)c[nH]c21 ZINC000555914366 334492075 /nfs/dbraw/zinc/49/20/75/334492075.db2.gz MUBSHOUMBPVNNM-AWEZNQCLSA-N 0 3 280.375 3.052 20 30 CGEDHN C=CCC[C@H](CCC)NCc1ncccc1N(C)C ZINC000564495916 334509672 /nfs/dbraw/zinc/50/96/72/334509672.db2.gz INCFLWQTTGGDGO-AWEZNQCLSA-N 0 3 261.413 3.372 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000166152029 334906009 /nfs/dbraw/zinc/90/60/09/334906009.db2.gz DUEANPXFJIBJPL-NWDGAFQWSA-N 0 3 288.819 3.022 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000166152161 334906020 /nfs/dbraw/zinc/90/60/20/334906020.db2.gz DUEANPXFJIBJPL-VXGBXAGGSA-N 0 3 288.819 3.022 20 30 CGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576706810 335238061 /nfs/dbraw/zinc/23/80/61/335238061.db2.gz AHAIDSOFHQBEND-SMDDNHRTSA-N 0 3 273.336 3.087 20 30 CGEDHN N#Cc1ccc(CNCCOc2ccc(Cl)cc2)s1 ZINC000176942345 335341956 /nfs/dbraw/zinc/34/19/56/335341956.db2.gz YWLSWXFMSRDPHA-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN C[C@H](CNCc1cc(C#N)cs1)N(C)c1ccccc1 ZINC000177685363 335378895 /nfs/dbraw/zinc/37/88/95/335378895.db2.gz FHODMXQSDPFWMY-CYBMUJFWSA-N 0 3 285.416 3.234 20 30 CGEDHN C=CCNC/C(C)=C/c1ccccc1OC(F)F ZINC000578053980 335472838 /nfs/dbraw/zinc/47/28/38/335472838.db2.gz DCWAFCLVBLMBRE-PKNBQFBNSA-N 0 3 253.292 3.467 20 30 CGEDHN COc1cc(CNCc2csc(C)c2)ccc1C#N ZINC000381438106 336063531 /nfs/dbraw/zinc/06/35/31/336063531.db2.gz XSZQAKJTXHUIQM-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN C=CC[C@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000382353757 336086240 /nfs/dbraw/zinc/08/62/40/336086240.db2.gz FBRQSYYDOJWYHX-VHSXEESVSA-N 0 3 269.186 3.459 20 30 CGEDHN CC#CCCNCc1cnc(-c2cccs2)s1 ZINC000499213167 500583664 /nfs/dbraw/zinc/58/36/64/500583664.db2.gz LDCGOMQMOBUSQI-UHFFFAOYSA-N 0 3 262.403 3.375 20 30 CGEDHN C[C@H](NC[C@@H]1NCCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446303 533889852 /nfs/dbraw/zinc/88/98/52/533889852.db2.gz ZANBYGHACYENRG-LIRRHRJNSA-N 0 3 291.398 3.096 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000358448271 533972503 /nfs/dbraw/zinc/97/25/03/533972503.db2.gz QTAFRXWZWDGEIT-MKBNYLNASA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@@H]1CC[C@]2(CCN(Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000368086553 534265208 /nfs/dbraw/zinc/26/52/08/534265208.db2.gz QNXACZFPALAVCL-KDOFPFPSSA-N 0 3 294.402 3.218 20 30 CGEDHN C=CCCOCCN[C@@H]1CCSc2ccc(OC)cc21 ZINC000191538333 534779142 /nfs/dbraw/zinc/77/91/42/534779142.db2.gz RDHMQFDBNOOFCA-OAHLLOKOSA-N 0 3 293.432 3.414 20 30 CGEDHN N#Cc1ccc(F)c(CN2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177575309 534785679 /nfs/dbraw/zinc/78/56/79/534785679.db2.gz OXCVPAHRPJTTQK-OKILXGFUSA-N 0 3 258.340 3.319 20 30 CGEDHN C=C(C)CCN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000352016555 526440609 /nfs/dbraw/zinc/44/06/09/526440609.db2.gz YCWWOHCLGRRYIV-MRXNPFEDSA-N 0 3 272.392 3.080 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000106037945 526600169 /nfs/dbraw/zinc/60/01/69/526600169.db2.gz BJQXSKGHTAYPLR-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCSCCN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000353390567 527004802 /nfs/dbraw/zinc/00/48/02/527004802.db2.gz ZRMCHQGWUDBFKB-SNVBAGLBSA-N 0 3 285.434 3.105 20 30 CGEDHN C=CCC[C@H](NCCc1ncc(C)cn1)c1ccco1 ZINC000353621710 527484259 /nfs/dbraw/zinc/48/42/59/527484259.db2.gz MOIZERLFDBUYRX-AWEZNQCLSA-N 0 3 271.364 3.218 20 30 CGEDHN CC(C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354481193 528081626 /nfs/dbraw/zinc/08/16/26/528081626.db2.gz YAMZTXGSXBWOEZ-CQSZACIVSA-N 0 3 265.316 3.090 20 30 CGEDHN CC(C)c1ccc(CNCCCC#N)cc1[N+](=O)[O-] ZINC000344330366 528099769 /nfs/dbraw/zinc/09/97/69/528099769.db2.gz OCVFJWLGHYKAHE-UHFFFAOYSA-N 0 3 261.325 3.112 20 30 CGEDHN CC(C)c1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000359677896 528170979 /nfs/dbraw/zinc/17/09/79/528170979.db2.gz UZXOZRSUTIQDJI-UHFFFAOYSA-N 0 3 267.376 3.310 20 30 CGEDHN CC[C@@H]1CCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000449404648 529277887 /nfs/dbraw/zinc/27/78/87/529277887.db2.gz CZDKNHIVXUUBCH-VXGBXAGGSA-N 0 3 263.410 3.321 20 30 CGEDHN COc1ccc(C#N)cc1CN1[C@H](C)CCC[C@@H]1C ZINC000123789382 536645231 /nfs/dbraw/zinc/64/52/31/536645231.db2.gz GCCDMJBVRKOHMF-BETUJISGSA-N 0 3 258.365 3.330 20 30 CGEDHN CCCCCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC000725803305 572409315 /nfs/dbraw/zinc/40/93/15/572409315.db2.gz GTCXWIPLRAOUIS-HNNXBMFYSA-N 0 3 268.445 3.195 20 30 CGEDHN N#CC(C(=O)C1CC=CC1)c1ccc2ccccc2n1 ZINC000741110588 572480612 /nfs/dbraw/zinc/48/06/12/572480612.db2.gz IVLAOPLFNMCONN-AWEZNQCLSA-N 0 3 262.312 3.377 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc3ccccc3n2)CCN1C ZINC000741451481 572498404 /nfs/dbraw/zinc/49/84/04/572498404.db2.gz ILIZUKFRWPTIIY-GFCCVEGCSA-N 0 3 268.364 3.117 20 30 CGEDHN C[C@H]1CC(N=Nc2nc3ccccc3s2)CCN1C ZINC000741450794 572498854 /nfs/dbraw/zinc/49/88/54/572498854.db2.gz BCGPFOTZSSDTBI-JTQLQIEISA-N 0 3 274.393 3.178 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@]2(C)CCOC2)c([O-])c1 ZINC000733080899 572507082 /nfs/dbraw/zinc/50/70/82/572507082.db2.gz FPDNPSGSLRBJLQ-SZLZGVTBSA-N 0 3 290.407 3.084 20 30 CGEDHN C=CCOCCN[C@@H]1CCc2ccc(Br)cc21 ZINC000302325831 572516335 /nfs/dbraw/zinc/51/63/35/572516335.db2.gz FNFSZWXCHSTQCG-CQSZACIVSA-N 0 3 296.208 3.229 20 30 CGEDHN CCCCCCCCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000741722886 572520498 /nfs/dbraw/zinc/52/04/98/572520498.db2.gz TYRRQOQVRUOVPM-CABCVRRESA-N 0 3 268.445 3.336 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(C#N)c1 ZINC000743495721 572666960 /nfs/dbraw/zinc/66/69/60/572666960.db2.gz IHYPNTWGPJPMAE-CYBMUJFWSA-N 0 3 278.355 3.344 20 30 CGEDHN CC[C@H]1C[C@@H](C)CN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744443221 572754226 /nfs/dbraw/zinc/75/42/26/572754226.db2.gz IJQDBRFQDXDFIQ-PBHICJAKSA-N 0 3 294.402 3.500 20 30 CGEDHN C#CCN(Cc1ccc2cc(OC)ccc2c1)C1CC1 ZINC000746114861 572854141 /nfs/dbraw/zinc/85/41/41/572854141.db2.gz XZCGBBXLDLFUGV-UHFFFAOYSA-N 0 3 265.356 3.446 20 30 CGEDHN C#CCN(CC)CCOc1ccc(C(F)(F)F)cc1 ZINC000746456833 572872134 /nfs/dbraw/zinc/87/21/34/572872134.db2.gz MWUBFKTYMFTXLJ-UHFFFAOYSA-N 0 3 271.282 3.039 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccn(C)c2)c([O-])c1 ZINC000748285516 572972230 /nfs/dbraw/zinc/97/22/30/572972230.db2.gz KEVMKPCGJZOLKV-PDGQHHTCSA-N 0 3 285.391 3.196 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819729824 607012146 /nfs/dbraw/zinc/01/21/46/607012146.db2.gz NGIXYXJRSBHZKC-RWMBFGLXSA-N 0 3 285.395 3.118 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819729824 607012148 /nfs/dbraw/zinc/01/21/48/607012148.db2.gz NGIXYXJRSBHZKC-RWMBFGLXSA-N 0 3 285.395 3.118 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2csc(Cl)c2)C1 ZINC000970525549 613301525 /nfs/dbraw/zinc/30/15/25/613301525.db2.gz HKJHBXQGYGIVEH-SNVBAGLBSA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964770924 613332715 /nfs/dbraw/zinc/33/27/15/613332715.db2.gz JNLKWWVQYOIWFE-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC000964682906 613533413 /nfs/dbraw/zinc/53/34/13/613533413.db2.gz GQCLJFKGJMEWRZ-GXTWGEPZSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000972456491 613629615 /nfs/dbraw/zinc/62/96/15/613629615.db2.gz AGMFCVABGHQBKK-RDJZCZTQSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC000972736515 613632833 /nfs/dbraw/zinc/63/28/33/613632833.db2.gz YXSIEODTMWOSSU-JKSUJKDBSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC000968913448 613685372 /nfs/dbraw/zinc/68/53/72/613685372.db2.gz GMXGJAOIKXXJDV-HOTGVXAUSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2occc2C(C)C)[C@@H](C)C1 ZINC000942577602 613800986 /nfs/dbraw/zinc/80/09/86/613800986.db2.gz MTKGLFDUQHBVHR-ZFWWWQNUSA-N 0 3 290.407 3.029 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001021080654 617895576 /nfs/dbraw/zinc/89/55/76/617895576.db2.gz OHAFWFVYZGPJGM-IIAWOOMASA-N 0 3 296.842 3.112 20 30 CGEDHN CCCCCCCC[C@@H](N)c1nc([C@@H]2CCCN2)no1 ZINC000900009792 620745288 /nfs/dbraw/zinc/74/52/88/620745288.db2.gz KFVSMIYBPVKVQJ-OLZOCXBDSA-N 0 3 280.416 3.245 20 30 CGEDHN C#C[C@H](N[C@@H]1CCC[C@H](OC)C1)c1ccc(F)cc1 ZINC000812793602 617855355 /nfs/dbraw/zinc/85/53/55/617855355.db2.gz ZMIGWPOESOSMRU-PMPSAXMXSA-N 0 3 261.340 3.047 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001021111606 617899341 /nfs/dbraw/zinc/89/93/41/617899341.db2.gz LJGVPQMCOXYBQZ-HAQNSBGRSA-N 0 3 296.798 3.006 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2C)C1 ZINC001021118195 617899992 /nfs/dbraw/zinc/89/99/92/617899992.db2.gz HFDWCECXACRUKU-FAAHXZRKSA-N 0 3 298.858 3.192 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1C[C@]1(C)Br ZINC000891605005 618241609 /nfs/dbraw/zinc/24/16/09/618241609.db2.gz VXDBRLBHKMQQQW-KGLIPLIRSA-N 0 3 293.208 3.164 20 30 CGEDHN CN(C)[C@@H](CNCC#Cc1ccccc1)c1cccc(F)c1 ZINC000892420522 618768325 /nfs/dbraw/zinc/76/83/25/618768325.db2.gz RWIHDDFSLKYUOR-IBGZPJMESA-N 0 3 296.389 3.070 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)C#Cc1ccccc1 ZINC000177315379 618815447 /nfs/dbraw/zinc/81/54/47/618815447.db2.gz BCQOSJCUGDKEHP-UHFFFAOYSA-N 0 3 292.382 3.047 20 30 CGEDHN CN(C)[C@@H](CNCC#Cc1ccccc1)c1ccc(F)cc1 ZINC000892626256 618878884 /nfs/dbraw/zinc/87/88/84/618878884.db2.gz QQIFYQDEDANILW-IBGZPJMESA-N 0 3 296.389 3.070 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000775183425 619005723 /nfs/dbraw/zinc/00/57/23/619005723.db2.gz LYJVANJMQDFOCR-SNVBAGLBSA-N 0 3 257.255 3.039 20 30 CGEDHN CC(C)(C#N)CNCCc1cccc(OC(F)(F)F)c1 ZINC000893551801 619221713 /nfs/dbraw/zinc/22/17/13/619221713.db2.gz PBVHNLKEQACBFF-UHFFFAOYSA-N 0 3 286.297 3.267 20 30 CGEDHN CC1(C)C[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000178770455 619385108 /nfs/dbraw/zinc/38/51/08/619385108.db2.gz SKEZWTRWHGDRAG-VHSXEESVSA-N 0 3 254.289 3.050 20 30 CGEDHN C#C[C@H](NC1CC2(C1)CO[C@H](C)C2)c1ccc(F)cc1 ZINC000894576016 619580001 /nfs/dbraw/zinc/58/00/01/619580001.db2.gz YMCIYBBJGHOCDZ-XBOHUIDSSA-N 0 3 273.351 3.047 20 30 CGEDHN C=CCC1(NCc2ncc(C(=O)OC)s2)CCCCC1 ZINC000894913110 619682039 /nfs/dbraw/zinc/68/20/39/619682039.db2.gz GKLIMFMCWNLGPF-UHFFFAOYSA-N 0 3 294.420 3.298 20 30 CGEDHN C=CCNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000794999207 619801729 /nfs/dbraw/zinc/80/17/29/619801729.db2.gz CKGZOXGXFKOJSM-ODPMDTCJSA-N 0 3 255.365 3.059 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cs1 ZINC000895403970 619823816 /nfs/dbraw/zinc/82/38/16/619823816.db2.gz HWOPFFMBJMGNCR-HOCLYGCPSA-N 0 3 290.432 3.401 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN([C@@H](C)c2ccccc2)CC1 ZINC000895551274 619848521 /nfs/dbraw/zinc/84/85/21/619848521.db2.gz HRZGWCDQXUHJKK-IRXDYDNUSA-N 0 3 285.435 3.305 20 30 CGEDHN COCC1(C2CC2)CN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000895751280 619881072 /nfs/dbraw/zinc/88/10/72/619881072.db2.gz JBAXWHYMCSTHRM-UHFFFAOYSA-N 0 3 284.403 3.034 20 30 CGEDHN C=CCC1(O)CCN(C/C=C/c2ccccc2OC)CC1 ZINC000895835701 619894875 /nfs/dbraw/zinc/89/48/75/619894875.db2.gz LZPZBSIXGRMFHS-SOFGYWHQSA-N 0 3 287.403 3.111 20 30 CGEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc2c(c1)CCO2 ZINC000897419536 620298141 /nfs/dbraw/zinc/29/81/41/620298141.db2.gz LEGZQPHFXCPUKI-LLVKDONJSA-N 0 3 284.384 3.405 20 30 CGEDHN CSc1cc(CN[C@H](C)CC(C)(C)C#N)ccn1 ZINC000925293799 620364841 /nfs/dbraw/zinc/36/48/41/620364841.db2.gz DWPNOOVSQAHSPB-LLVKDONJSA-N 0 3 263.410 3.221 20 30 CGEDHN C=Cn1cc(CN2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC000897588487 620404934 /nfs/dbraw/zinc/40/49/34/620404934.db2.gz DDCZZYJCCDYTRJ-UHFFFAOYSA-N 0 3 292.386 3.235 20 30 CGEDHN CC1=CCC[C@H](C)[C@H]1CNCc1nc(C#N)cs1 ZINC000897628610 620413546 /nfs/dbraw/zinc/41/35/46/620413546.db2.gz LRRBBVPWOYBBSM-AAEUAGOBSA-N 0 3 261.394 3.097 20 30 CGEDHN C[C@@H](CCc1ccc(F)cc1)NCc1nc(C#N)cs1 ZINC000897628087 620413949 /nfs/dbraw/zinc/41/39/49/620413949.db2.gz CAORNONAYXOKTB-NSHDSACASA-N 0 3 289.379 3.265 20 30 CGEDHN Cc1cccc(OC[C@H](C)N[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902760668 621429846 /nfs/dbraw/zinc/42/98/46/621429846.db2.gz JSQMIPISEJPFGS-GJZGRUSLSA-N 0 3 295.386 3.380 20 30 CGEDHN Cc1ccccc1O[C@@H](C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902822351 621456701 /nfs/dbraw/zinc/45/67/01/621456701.db2.gz VXYYGRLLTPNTOA-LSDHHAIUSA-N 0 3 295.386 3.380 20 30 CGEDHN Cc1cccc(OCCCN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902850926 621472473 /nfs/dbraw/zinc/47/24/73/621472473.db2.gz XRPKBANXPLROJK-OAHLLOKOSA-N 0 3 295.386 3.381 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC2(CCCCC2)O1)c1cc(C#N)ccn1 ZINC000902969352 621502795 /nfs/dbraw/zinc/50/27/95/621502795.db2.gz DKWLZXCSELEGOT-ZBFHGGJFSA-N 0 3 299.418 3.486 20 30 CGEDHN CO[C@@H]1CCC[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000903127782 621590776 /nfs/dbraw/zinc/59/07/76/621590776.db2.gz LOYKGPVJVASUBH-ARFHVFGLSA-N 0 3 258.365 3.189 20 30 CGEDHN CO[C@@H]1CCC[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000903127785 621590791 /nfs/dbraw/zinc/59/07/91/621590791.db2.gz LOYKGPVJVASUBH-OWCLPIDISA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCC[C@@H](NC[C@]1(OC(C)C)CCOC1)c1ccco1 ZINC000903358293 621714091 /nfs/dbraw/zinc/71/40/91/621714091.db2.gz SSZFCDYMUUACEL-NVXWUHKLSA-N 0 3 293.407 3.461 20 30 CGEDHN CCCCCC[C@H](O)CNCc1cc(C#N)ccc1F ZINC000905517590 622083577 /nfs/dbraw/zinc/08/35/77/622083577.db2.gz DSOWZPGHGSPTIV-HNNXBMFYSA-N 0 3 278.371 3.118 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1C ZINC000911918145 622562374 /nfs/dbraw/zinc/56/23/74/622562374.db2.gz STNURBDPOJYUQW-LBPRGKRZSA-N 0 3 266.772 3.271 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000912230345 622621638 /nfs/dbraw/zinc/62/16/38/622621638.db2.gz MRVPFVJLSVXKHQ-OAHLLOKOSA-N 0 3 299.374 3.272 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000912292576 622628555 /nfs/dbraw/zinc/62/85/55/622628555.db2.gz FVELFLGPSRZGED-SWLSCSKDSA-N 0 3 278.371 3.029 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1cccc(Cl)c1 ZINC000876600502 622792500 /nfs/dbraw/zinc/79/25/00/622792500.db2.gz KBCQQYJMZDLWCD-GFCCVEGCSA-N 0 3 287.190 3.163 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000229899919 623177590 /nfs/dbraw/zinc/17/75/90/623177590.db2.gz VKUABJUIXGDBBU-GFCCVEGCSA-N 0 3 283.318 3.188 20 30 CGEDHN C[C@@H](NCc1cccc(O)c1)c1ccc(OCC#N)cc1 ZINC000171768705 623190137 /nfs/dbraw/zinc/19/01/37/623190137.db2.gz FZEWCLCNODVQNR-CYBMUJFWSA-N 0 3 282.343 3.145 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)C3CCC(=C)CC3)CCC[C@@H]12 ZINC000992151148 623451259 /nfs/dbraw/zinc/45/12/59/623451259.db2.gz KIFBKJLZUBDAIN-AEFFLSMTSA-N 0 3 288.435 3.032 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)cc3C)CCC[C@H]12 ZINC000992486528 623596359 /nfs/dbraw/zinc/59/63/59/623596359.db2.gz HEMBXLQWQCEKJL-PKOBYXMFSA-N 0 3 298.430 3.216 20 30 CGEDHN C#CCN(CC)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760842332 623646412 /nfs/dbraw/zinc/64/64/12/623646412.db2.gz HCODZAUSVKWLMT-UHFFFAOYSA-N 0 3 288.391 3.489 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993151441 623877491 /nfs/dbraw/zinc/87/74/91/623877491.db2.gz GEECRSXWLSVXPC-WBVHZDCISA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993312480 624010951 /nfs/dbraw/zinc/01/09/51/624010951.db2.gz NGDSFAXJZHXNCS-GDBMZVCRSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CC=C(C)C)[C@H]2C)C1 ZINC000993782610 624061725 /nfs/dbraw/zinc/06/17/25/624061725.db2.gz ADUZOJJRMLSKJT-JKSUJKDBSA-N 0 3 290.451 3.278 20 30 CGEDHN C#CCN(CCOC(C)(C)C)[C@H]1CCc2ccccc21 ZINC000920258523 624463353 /nfs/dbraw/zinc/46/33/53/624463353.db2.gz OYOKTAOLPZVQFA-KRWDZBQOSA-N 0 3 271.404 3.424 20 30 CGEDHN C[C@H](C[C@H](O)c1cccs1)NCc1csc(C#N)c1 ZINC000921950930 625942820 /nfs/dbraw/zinc/94/28/20/625942820.db2.gz UHTLMQIXMQLZTR-MFKMUULPSA-N 0 3 292.429 3.283 20 30 CGEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1csc(C#N)c1 ZINC000922184093 625981289 /nfs/dbraw/zinc/98/12/89/625981289.db2.gz OOBBCXUHZPAAQA-CVEARBPZSA-N 0 3 284.384 3.022 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1C[C@H](O)c2ccccc21 ZINC000922246544 625989579 /nfs/dbraw/zinc/98/95/79/625989579.db2.gz RMRCQGIIZRYQMN-OALUTQOASA-N 0 3 292.382 3.443 20 30 CGEDHN N#Cc1cc(CNC2CC(Nc3ccccc3)C2)cs1 ZINC000922327515 625998808 /nfs/dbraw/zinc/99/88/08/625998808.db2.gz IHJQSJWVLOEVGI-UHFFFAOYSA-N 0 3 283.400 3.352 20 30 CGEDHN C[C@]1(CNCc2csc(C#N)c2)OCCc2ccccc21 ZINC000922335376 625999796 /nfs/dbraw/zinc/99/97/96/625999796.db2.gz RCPIHUYTGSNNFN-QGZVFWFLSA-N 0 3 298.411 3.197 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCCN1[C@H](C)CCC[C@H]1C ZINC000754032395 626472666 /nfs/dbraw/zinc/47/26/66/626472666.db2.gz UGPNXDANNLNJBM-ZIAGYGMSSA-N 0 3 299.418 3.436 20 30 CGEDHN C#CC[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000756997784 626746039 /nfs/dbraw/zinc/74/60/39/626746039.db2.gz NDYJLNNRTAZTGH-SFHVURJKSA-N 0 3 260.340 3.412 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000839612944 626766458 /nfs/dbraw/zinc/76/64/58/626766458.db2.gz BXTITDZADXQWAQ-LLVKDONJSA-N 0 3 288.819 3.117 20 30 CGEDHN C#C[C@H](NCc1cc(Cl)c(OC)c(OCC)c1)C(C)C ZINC000809685908 626768877 /nfs/dbraw/zinc/76/88/77/626768877.db2.gz YTJNWSWSOCGBQN-AWEZNQCLSA-N 0 3 295.810 3.495 20 30 CGEDHN C[C@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1C ZINC000766376310 627324378 /nfs/dbraw/zinc/32/43/78/627324378.db2.gz YQZMPCQVTCGXFX-LSDHHAIUSA-N 0 3 294.402 3.357 20 30 CGEDHN CCON=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000767463696 627409705 /nfs/dbraw/zinc/40/97/05/627409705.db2.gz FYWAOJZLIILSFX-UHFFFAOYSA-N 0 3 276.380 3.052 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2ccc(OC)cc2)cc1 ZINC000768159225 627464603 /nfs/dbraw/zinc/46/46/03/627464603.db2.gz FJVOGWRIXVAXAR-UHFFFAOYSA-N 0 3 295.382 3.339 20 30 CGEDHN Cc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)c(C)n1 ZINC000772957825 627835070 /nfs/dbraw/zinc/83/50/70/627835070.db2.gz HSRNKDDXDLHMAX-AWEZNQCLSA-N 0 3 295.386 3.452 20 30 CGEDHN C=C(CC)CN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000773430299 627883436 /nfs/dbraw/zinc/88/34/36/627883436.db2.gz XMEHKZRCNYXCCB-CQSZACIVSA-N 0 3 282.428 3.284 20 30 CGEDHN CC(=Nn1cnnc1)C1(c2ccccc2)CCCC1 ZINC000774302223 627974210 /nfs/dbraw/zinc/97/42/10/627974210.db2.gz RCYZGIOBPQVWSJ-UHFFFAOYSA-N 0 3 254.337 3.014 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccccc1N1CCCCC1 ZINC000775179811 628070150 /nfs/dbraw/zinc/07/01/50/628070150.db2.gz RROXTLTWQSPIJB-HNNXBMFYSA-N 0 3 256.393 3.130 20 30 CGEDHN N#CCC[C@H](NC[C@@H](O)c1ccccc1F)c1ccccc1 ZINC000775553447 628105694 /nfs/dbraw/zinc/10/56/94/628105694.db2.gz ONXUHLAAVCOMKY-ZWKOTPCHSA-N 0 3 298.361 3.494 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@@H](C)c2c1cccc2C)[C@H]1CCCO1 ZINC000775572368 628109185 /nfs/dbraw/zinc/10/91/85/628109185.db2.gz RDTVJAMABLPYAL-XLNGHYISSA-N 0 3 269.388 3.314 20 30 CGEDHN C#CCN(C[C@H](O)c1ccc(F)cc1Cl)C1CCCC1 ZINC000775612261 628114429 /nfs/dbraw/zinc/11/44/29/628114429.db2.gz CKXANRWITCTGGG-INIZCTEOSA-N 0 3 295.785 3.390 20 30 CGEDHN C#C[C@@H](NCc1c(C)ccc2ccccc21)[C@H]1CCCO1 ZINC000775785574 628136249 /nfs/dbraw/zinc/13/62/49/628136249.db2.gz QBPGPQNYTQKYDL-RTBURBONSA-N 0 3 279.383 3.419 20 30 CGEDHN C[C@@H]1CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000776511148 628215237 /nfs/dbraw/zinc/21/52/37/628215237.db2.gz JUPMCJQXEQYONA-IJLUTSLNSA-N 0 3 268.316 3.440 20 30 CGEDHN Cc1cc(C#N)ccc1CN[C@H](CCO)c1cccs1 ZINC000776798861 628232890 /nfs/dbraw/zinc/23/28/90/628232890.db2.gz JWORSPSCBZUTHI-OAHLLOKOSA-N 0 3 286.400 3.142 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC1CCCC1 ZINC000778150623 628328262 /nfs/dbraw/zinc/32/82/62/628328262.db2.gz HHPISWCBUKMNTE-UHFFFAOYSA-N 0 3 263.768 3.384 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCCCSC ZINC000778169549 628330592 /nfs/dbraw/zinc/33/05/92/628330592.db2.gz XUCSKRLLYBGUMI-UHFFFAOYSA-N 0 3 283.824 3.195 20 30 CGEDHN C#CCCCCCC(=O)Nc1cccc(CN(C)C)c1 ZINC000779837939 628437284 /nfs/dbraw/zinc/43/72/84/628437284.db2.gz ZSUZLUFVSJEWBR-UHFFFAOYSA-N 0 3 272.392 3.270 20 30 CGEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)cn2)c2c1c(F)ccc2O ZINC000783293853 628699573 /nfs/dbraw/zinc/69/95/73/628699573.db2.gz JWYXPSXAOMZZSA-IINYFYTJSA-N 0 3 297.333 3.136 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)c2c1c(F)ccc2O ZINC000783293854 628699632 /nfs/dbraw/zinc/69/96/32/628699632.db2.gz JWYXPSXAOMZZSA-QMTHXVAHSA-N 0 3 297.333 3.136 20 30 CGEDHN Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000785616170 628875194 /nfs/dbraw/zinc/87/51/94/628875194.db2.gz VPDVXSJNLYYVQY-QGZVFWFLSA-N 0 3 263.344 3.039 20 30 CGEDHN C=C(CC)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785716129 628882811 /nfs/dbraw/zinc/88/28/11/628882811.db2.gz KDZCKKOBNRJZJJ-UHFFFAOYSA-N 0 3 273.376 3.405 20 30 CGEDHN CN(CCC#N)c1ccc(C=NNC2CCCCC2)cc1 ZINC000786040630 628910110 /nfs/dbraw/zinc/91/01/10/628910110.db2.gz PSYDEQRTVYVKPN-UHFFFAOYSA-N 0 3 284.407 3.293 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc2c(c1)CCC(=O)N2C ZINC000787309472 629008011 /nfs/dbraw/zinc/00/80/11/629008011.db2.gz JBJPGRGMAIOMOJ-INIZCTEOSA-N 0 3 284.403 3.136 20 30 CGEDHN CC(C)[C@@H](NCc1ccccc1C#N)[C@@H](O)c1ccccc1 ZINC000788536185 629063021 /nfs/dbraw/zinc/06/30/21/629063021.db2.gz FQFMUDVBTWQIGX-MOPGFXCFSA-N 0 3 294.398 3.406 20 30 CGEDHN C=C[C@H]1CCCCN1[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790357395 629208072 /nfs/dbraw/zinc/20/80/72/629208072.db2.gz PBDGGXLAMXCIAB-ROUUACIJSA-N 0 3 298.430 3.218 20 30 CGEDHN C=C[C@@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805923157 629208893 /nfs/dbraw/zinc/20/88/93/629208893.db2.gz BXGAGMAKANTXFQ-CYBMUJFWSA-N 0 3 259.349 3.014 20 30 CGEDHN C=CC[C@@H](NCc1ccc(N(C)CC)nc1)c1ccncc1 ZINC000790964630 629243640 /nfs/dbraw/zinc/24/36/40/629243640.db2.gz AFOIOUYMGSBOPI-QGZVFWFLSA-N 0 3 296.418 3.340 20 30 CGEDHN CCCCCCCCN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000791589891 629290883 /nfs/dbraw/zinc/29/08/83/629290883.db2.gz JKEHZHRXMCVYSG-JKSUJKDBSA-N 0 3 269.429 3.227 20 30 CGEDHN C=C[C@H](OC(=O)C1CCN(C2CC2)CC1)C(C)(C)C ZINC000805962348 629295939 /nfs/dbraw/zinc/29/59/39/629295939.db2.gz GLZCPTCWBVPDBV-AWEZNQCLSA-N 0 3 265.397 3.005 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CCOC1)c1nccc2ccccc21 ZINC000792100276 629337362 /nfs/dbraw/zinc/33/73/62/629337362.db2.gz DISLNSIUFFDPQA-BBRMVZONSA-N 0 3 294.354 3.228 20 30 CGEDHN C#CCCCN1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC000792337043 629357483 /nfs/dbraw/zinc/35/74/83/629357483.db2.gz WSLVXLASFCOHBF-LJQANCHMSA-N 0 3 299.414 3.040 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(OCC)c(OC)cc2F)C1 ZINC000862447993 629380518 /nfs/dbraw/zinc/38/05/18/629380518.db2.gz UNYXAYUQEXGESV-ZDUSSCGKSA-N 0 3 291.366 3.078 20 30 CGEDHN CCC(=NNCCCOc1ccccc1)c1ccc(N)cc1 ZINC000863092032 629470678 /nfs/dbraw/zinc/47/06/78/629470678.db2.gz BZWHPOIBLJLDHP-UHFFFAOYSA-N 0 3 297.402 3.442 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000793554039 629483623 /nfs/dbraw/zinc/48/36/23/629483623.db2.gz PMFXBHPQMJDPBY-BBRMVZONSA-N 0 3 292.398 3.467 20 30 CGEDHN CC(=NNc1ccnc(C)c1)c1c(C)nn(C(C)C)c1C ZINC000863158413 629484836 /nfs/dbraw/zinc/48/48/36/629484836.db2.gz APLYMXGACGYGHB-UHFFFAOYSA-N 0 3 285.395 3.042 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@@H](C)c1nnc2n1CCC2 ZINC000793586093 629487402 /nfs/dbraw/zinc/48/74/02/629487402.db2.gz FOIXQGVRULKAPN-KBPBESRZSA-N 0 3 276.428 3.400 20 30 CGEDHN CSCCON=Cc1ccc(N2CCCCC2)cc1 ZINC000794571738 629557260 /nfs/dbraw/zinc/55/72/60/629557260.db2.gz GKVOXVBAPAIUCD-UHFFFAOYSA-N 0 3 278.421 3.390 20 30 CGEDHN C#CCCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000796575495 629801851 /nfs/dbraw/zinc/80/18/51/629801851.db2.gz XKCXWHBQSMRZBK-LBPRGKRZSA-N 0 3 291.700 3.005 20 30 CGEDHN C=CCN1CCC(Nc2cc(CCC)nc(Cl)n2)CC1 ZINC000865522303 630166635 /nfs/dbraw/zinc/16/66/35/630166635.db2.gz OTUSLUGCQOLYPU-UHFFFAOYSA-N 0 3 294.830 3.145 20 30 CGEDHN C=CCCC(C)(C)CNCc1ncc(C2OCCO2)s1 ZINC000865678764 630348046 /nfs/dbraw/zinc/34/80/46/630348046.db2.gz FRPUZAXANZRKEX-UHFFFAOYSA-N 0 3 296.436 3.271 20 30 CGEDHN C[C@H](C#N)OCCN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000801924499 630368083 /nfs/dbraw/zinc/36/80/83/630368083.db2.gz PUXIAZHTXUYSIL-ZENOOKHLSA-N 0 3 276.355 3.137 20 30 CGEDHN C#C[C@H](N[C@H]1CCCc2c3ccccc3[nH]c21)[C@H]1CCCO1 ZINC000808714102 630669815 /nfs/dbraw/zinc/66/98/15/630669815.db2.gz MOIBCQSGRKXYQB-RYQLBKOJSA-N 0 3 294.398 3.316 20 30 CGEDHN C#Cc1ccc(CNCc2cccc(COC)c2)cc1 ZINC000809606103 630760284 /nfs/dbraw/zinc/76/02/84/630760284.db2.gz MCPBDMSUORFXPH-UHFFFAOYSA-N 0 3 265.356 3.104 20 30 CGEDHN C#Cc1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000809617754 630763272 /nfs/dbraw/zinc/76/32/72/630763272.db2.gz VKEHMKQRDUDUTP-UHFFFAOYSA-N 0 3 292.382 3.175 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000809618356 630763717 /nfs/dbraw/zinc/76/37/17/630763717.db2.gz HGDSDRFHJRDXDX-GFCCVEGCSA-N 0 3 291.354 3.101 20 30 CGEDHN C#Cc1ccc(CNCc2cc(F)cc(OC)c2)cc1 ZINC000809629188 630767500 /nfs/dbraw/zinc/76/75/00/630767500.db2.gz HLKULAANHVVOKB-UHFFFAOYSA-N 0 3 269.319 3.105 20 30 CGEDHN C=CCN(C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809644256 630773445 /nfs/dbraw/zinc/77/34/45/630773445.db2.gz GFIYONCTERYFEV-UHFFFAOYSA-N 0 3 270.417 3.140 20 30 CGEDHN C#C[C@H](NCc1nccc2ccccc21)C(C)(C)C ZINC000809781587 630806640 /nfs/dbraw/zinc/80/66/40/630806640.db2.gz WWCMJFGXIWKCIV-INIZCTEOSA-N 0 3 252.361 3.372 20 30 CGEDHN C#C[C@H](NCc1ccnn1-c1ccccc1C)C(C)(C)C ZINC000809782488 630807921 /nfs/dbraw/zinc/80/79/21/630807921.db2.gz WBFGDUYJVHMICF-KRWDZBQOSA-N 0 3 281.403 3.318 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810048239 630833746 /nfs/dbraw/zinc/83/37/46/630833746.db2.gz ZGCLSLBPEOGLJR-MAUKXSAKSA-N 0 3 269.388 3.258 20 30 CGEDHN CC(=NN[C@@H](C)COc1ccccc1)c1ccc(N)cc1C ZINC000811665236 631105174 /nfs/dbraw/zinc/10/51/74/631105174.db2.gz MPIBKVCOAPMLHX-AWEZNQCLSA-N 0 3 297.402 3.358 20 30 CGEDHN C=CCCCCCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000811892495 631131016 /nfs/dbraw/zinc/13/10/16/631131016.db2.gz UUTGYUJMRWZUPI-OAHLLOKOSA-N 0 3 293.455 3.049 20 30 CGEDHN CO[C@@](C)(C(=O)C(C#N)c1nccc2ccccc21)C1CC1 ZINC000813089289 631350807 /nfs/dbraw/zinc/35/08/07/631350807.db2.gz AVAPWAUQRCEHAZ-MAUKXSAKSA-N 0 3 294.354 3.226 20 30 CGEDHN N#CC(C(=O)C=CC1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813218493 631390122 /nfs/dbraw/zinc/39/01/22/631390122.db2.gz WPTHZFYORQUYTB-BYCRGOAPSA-N 0 3 280.249 3.243 20 30 CGEDHN COC(=O)/C(C)=C\CN[C@H](CCCC#N)c1ccccc1 ZINC000814660414 631618009 /nfs/dbraw/zinc/61/80/09/631618009.db2.gz UTOJRJWFVPKUIV-SYCZXOQXSA-N 0 3 286.375 3.130 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC[C@H](C)F ZINC000815149610 631731169 /nfs/dbraw/zinc/73/11/69/631731169.db2.gz SOTNUHIZIRRQGO-NSHDSACASA-N 0 3 269.747 3.190 20 30 CGEDHN CO[C@@H]1CCC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000815915514 631834320 /nfs/dbraw/zinc/83/43/20/631834320.db2.gz QWCLUHZUMRKDDP-XQQFMLRXSA-N 0 3 298.342 3.209 20 30 CGEDHN CC(C)c1ccc(C2(O)CCC(NCCC#N)CC2)cc1 ZINC000816593178 632018758 /nfs/dbraw/zinc/01/87/58/632018758.db2.gz HNWRFRZABYJIOL-UHFFFAOYSA-N 0 3 286.419 3.443 20 30 CGEDHN C#CCN(C)CCCNC(=O)[C@@H](CCC)CC1CCCC1 ZINC000818592824 632338605 /nfs/dbraw/zinc/33/86/05/632338605.db2.gz ASLQASNIRPDWSL-KRWDZBQOSA-N 0 3 292.467 3.054 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1ccccc1F ZINC000823617175 633127160 /nfs/dbraw/zinc/12/71/60/633127160.db2.gz GJRYDYCBKIQYSW-SCLBCKFNSA-N 0 3 298.361 3.424 20 30 CGEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cccnc1Cl ZINC000866617335 633216523 /nfs/dbraw/zinc/21/65/23/633216523.db2.gz HMROYSYMJZEANH-ABAIWWIYSA-N 0 3 297.789 3.425 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)CC ZINC000876560848 634857565 /nfs/dbraw/zinc/85/75/65/634857565.db2.gz OOKZTAOZKLSZTQ-ZFWWWQNUSA-N 0 3 294.826 3.284 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1cc(C)cc(C)c1 ZINC000876611811 634867491 /nfs/dbraw/zinc/86/74/91/634867491.db2.gz SGHHQCIBKPUNSR-CQSZACIVSA-N 0 3 280.799 3.126 20 30 CGEDHN Cc1cc(C)c(CNCc2ccc(O[C@@H](C)C#N)cc2)cn1 ZINC000825221627 633336879 /nfs/dbraw/zinc/33/68/79/633336879.db2.gz UPYXFZXXLHWZSH-HNNXBMFYSA-N 0 3 295.386 3.279 20 30 CGEDHN C=CC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827920476 633534692 /nfs/dbraw/zinc/53/46/92/633534692.db2.gz ZYIHOKWSRSNQCY-INIZCTEOSA-N 0 3 292.423 3.038 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000870907013 633668794 /nfs/dbraw/zinc/66/87/94/633668794.db2.gz OROXNPPCMFWKOX-KRWDZBQOSA-N 0 3 286.419 3.042 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NCc2cnccc2C)cc1 ZINC000834889346 634268753 /nfs/dbraw/zinc/26/87/53/634268753.db2.gz WFSRKQNYHYWBLE-OAHLLOKOSA-N 0 3 280.371 3.253 20 30 CGEDHN C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834902502 634278936 /nfs/dbraw/zinc/27/89/36/634278936.db2.gz BPADCQPJEYHQLF-AAEUAGOBSA-N 0 3 283.799 3.332 20 30 CGEDHN C#Cc1cccc(CN[C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000834902285 634279345 /nfs/dbraw/zinc/27/93/45/634279345.db2.gz GSJCSBMTECUANZ-KRWDZBQOSA-N 0 3 294.402 3.197 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C2=CCC(C)(C)CC2)nc(C)n1 ZINC000835058657 634341068 /nfs/dbraw/zinc/34/10/68/634341068.db2.gz AAJDXFHAMXSSRD-AWEZNQCLSA-N 0 3 283.375 3.406 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(C)C ZINC000876547691 634854831 /nfs/dbraw/zinc/85/48/31/634854831.db2.gz HEKRNCVYTYAIHR-LBPRGKRZSA-N 0 3 266.772 3.218 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(COC(C)C)cc1 ZINC000876610957 634867655 /nfs/dbraw/zinc/86/76/55/634867655.db2.gz NJYCKNMVJLTNSL-CQSZACIVSA-N 0 3 296.798 3.020 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(COC(C)C)c1 ZINC000876623429 634869852 /nfs/dbraw/zinc/86/98/52/634869852.db2.gz HWOCYGDVTNSEAX-CQSZACIVSA-N 0 3 296.798 3.020 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000876654001 634875680 /nfs/dbraw/zinc/87/56/80/634875680.db2.gz WHHVDFPHQWUMQD-LBPRGKRZSA-N 0 3 287.190 3.081 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1CCC(C)C ZINC000876705617 634884478 /nfs/dbraw/zinc/88/44/78/634884478.db2.gz RRRSYNZPENFOPS-UONOGXRCSA-N 0 3 286.847 3.274 20 30 CGEDHN C#CCCCCCCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000876736783 634888330 /nfs/dbraw/zinc/88/83/30/634888330.db2.gz NBIAMPOKHCKKTF-GOSISDBHSA-N 0 3 299.462 3.344 20 30 CGEDHN CC(C)C[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877112137 634987185 /nfs/dbraw/zinc/98/71/85/634987185.db2.gz QGLPQVRFHCIGRO-JTQLQIEISA-N 0 3 251.761 3.131 20 30 CGEDHN C#C[C@H](NC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000877544318 635082098 /nfs/dbraw/zinc/08/20/98/635082098.db2.gz OEQNRNKSMDSAQC-MOQPWLNLSA-N 0 3 256.324 3.172 20 30 CGEDHN C#C[C@H](NCc1cn(-c2cccc(F)c2)nc1C)C(C)C ZINC000840944963 635089165 /nfs/dbraw/zinc/08/91/65/635089165.db2.gz PXSNECJQYTUPML-KRWDZBQOSA-N 0 3 285.366 3.067 20 30 CGEDHN C#CCCOc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000840964068 635094826 /nfs/dbraw/zinc/09/48/26/635094826.db2.gz WWKPICFAWGTJHX-IAGOWNOFSA-N 0 3 275.367 3.459 20 30 CGEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000840963704 635094892 /nfs/dbraw/zinc/09/48/92/635094892.db2.gz SWUTXYMMKFJMOJ-IAGOWNOFSA-N 0 3 289.398 3.407 20 30 CGEDHN C[C@@H](NCc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000877615520 635113450 /nfs/dbraw/zinc/11/34/50/635113450.db2.gz VPIRGGHWYSAZAL-SECBINFHSA-N 0 3 251.761 3.131 20 30 CGEDHN C=CCCCCC[C@H](C)NCc1cc(OC)no1 ZINC000877635573 635125485 /nfs/dbraw/zinc/12/54/85/635125485.db2.gz XAGIPJGERLVVJU-LBPRGKRZSA-N 0 3 252.358 3.298 20 30 CGEDHN N#Cc1cccc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)n1 ZINC000877658448 635135653 /nfs/dbraw/zinc/13/56/53/635135653.db2.gz YVBCWEPIFJRDJZ-ZYSHUDEJSA-N 0 3 289.382 3.189 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCCCC2CC2)c1 ZINC000877730027 635165979 /nfs/dbraw/zinc/16/59/79/635165979.db2.gz KDOZOKYSEYQZEK-UHFFFAOYSA-N 0 3 263.772 3.277 20 30 CGEDHN Cc1cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)n(C)n1 ZINC000841762927 635233408 /nfs/dbraw/zinc/23/34/08/635233408.db2.gz SGDGTUVIHYXFMJ-DYVFJYSZSA-N 0 3 294.402 3.328 20 30 CGEDHN COCC(C)(C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000842294951 635318633 /nfs/dbraw/zinc/31/86/33/635318633.db2.gz ZQJLZKFBRNYJOE-LLVKDONJSA-N 0 3 286.331 3.067 20 30 CGEDHN C#CCCCCCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000878169014 635390646 /nfs/dbraw/zinc/39/06/46/635390646.db2.gz HWAFHOHOTZESFS-LJQANCHMSA-N 0 3 277.433 3.049 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CCC2(CCC2)C1)c1ccccc1 ZINC000878187989 635402538 /nfs/dbraw/zinc/40/25/38/635402538.db2.gz KJKAWELDCUOQLK-LJQANCHMSA-N 0 3 296.414 3.303 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](C)[C@@H](C)C1)c1ccccc1 ZINC000878328808 635463237 /nfs/dbraw/zinc/46/32/37/635463237.db2.gz OWBPXCOSZLYGEY-TXPKVOOTSA-N 0 3 298.430 3.405 20 30 CGEDHN C=CC[C@H](C)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000878463063 635517491 /nfs/dbraw/zinc/51/74/91/635517491.db2.gz VRWBMXBMHQMNEF-LBPRGKRZSA-N 0 3 281.346 3.213 20 30 CGEDHN Cc1ccccc1[C@H](O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000878606334 635567946 /nfs/dbraw/zinc/56/79/46/635567946.db2.gz ODQAHWFCZLKIIX-GOSISDBHSA-N 0 3 298.430 3.434 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000843423710 635668160 /nfs/dbraw/zinc/66/81/60/635668160.db2.gz IRHBAOXRRXZNKU-HNNXBMFYSA-N 0 3 279.387 3.312 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H]1CC3(CCC3)CO1)C2 ZINC000879065132 635693389 /nfs/dbraw/zinc/69/33/89/635693389.db2.gz TUOIHPIIEDOJGL-KRWDZBQOSA-N 0 3 296.414 3.070 20 30 CGEDHN Cc1cncc([C@@H]2CCCN2CC2(CC#N)CC2)c1 ZINC000879751794 635854372 /nfs/dbraw/zinc/85/43/72/635854372.db2.gz INZFACWHHOOSOD-HNNXBMFYSA-N 0 3 255.365 3.221 20 30 CGEDHN CCc1ccc(CN2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000880249289 635956234 /nfs/dbraw/zinc/95/62/34/635956234.db2.gz VHNNHNLXQKHEFA-OALUTQOASA-N 0 3 297.446 3.059 20 30 CGEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc2ccccc2[nH]1 ZINC000845436579 636035710 /nfs/dbraw/zinc/03/57/10/636035710.db2.gz FNLDLISKDNYVRC-XQQFMLRXSA-N 0 3 279.343 3.175 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccccn1 ZINC000845441784 636036406 /nfs/dbraw/zinc/03/64/06/636036406.db2.gz UOMATXSOVMYRKB-RDBSUJKOSA-N 0 3 254.333 3.084 20 30 CGEDHN Clc1cccc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848410469 636570896 /nfs/dbraw/zinc/57/08/96/636570896.db2.gz OYTXHWOHQLHSKF-LBPRGKRZSA-N 0 3 278.787 3.151 20 30 CGEDHN C=CCC[C@@H](NCc1oc(CC)nc1C)[C@@H]1CCCO1 ZINC000883223940 636596822 /nfs/dbraw/zinc/59/68/22/636596822.db2.gz AWZRBSISXFZTKJ-KGLIPLIRSA-N 0 3 278.396 3.149 20 30 CGEDHN C=CCC[C@H](NCc1cnc(CCC)o1)[C@@H]1CCCO1 ZINC000883227004 636597616 /nfs/dbraw/zinc/59/76/16/636597616.db2.gz JMPXUSNFEAUPMX-GJZGRUSLSA-N 0 3 278.396 3.231 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848784903 636657139 /nfs/dbraw/zinc/65/71/39/636657139.db2.gz HHSFISYYMGAPJW-AEFFLSMTSA-N 0 3 297.402 3.190 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc3cc(Cl)cnc3o2)C1 ZINC000848923989 636695617 /nfs/dbraw/zinc/69/56/17/636695617.db2.gz MBEYRRKXAGVMCH-NSHDSACASA-N 0 3 274.751 3.326 20 30 CGEDHN C#CC1(NCc2cccc(OCCCC#N)c2)CCCC1 ZINC000883362450 636703005 /nfs/dbraw/zinc/70/30/05/636703005.db2.gz DHLWHFVCKKHRTN-UHFFFAOYSA-N 0 3 282.387 3.405 20 30 CGEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc[nH]1 ZINC000850229093 636990862 /nfs/dbraw/zinc/99/08/62/636990862.db2.gz SMYPNNLHYWUUTI-CYBMUJFWSA-N 0 3 265.360 3.421 20 30 CGEDHN C=CCCNCc1c(C)nn(CCCC)c1Cl ZINC000850354703 637025452 /nfs/dbraw/zinc/02/54/52/637025452.db2.gz VFISXNDYXXFMCD-UHFFFAOYSA-N 0 3 255.793 3.311 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000850498901 637091292 /nfs/dbraw/zinc/09/12/92/637091292.db2.gz FMSCCMCDYPHVBQ-MJBXVCDLSA-N 0 3 262.401 3.399 20 30 CGEDHN C=C(Cl)COc1ccc([C@@H](C)NC/C=C\CO)cc1 ZINC000850510658 637096208 /nfs/dbraw/zinc/09/62/08/637096208.db2.gz ZMJOVSDRFJIQSW-DHCBQETCSA-N 0 3 281.783 3.017 20 30 CGEDHN CC[C@](C)(CC(=O)OC)NCC#Cc1ccccc1Cl ZINC000135210819 637096693 /nfs/dbraw/zinc/09/66/93/637096693.db2.gz DKVIGODRUSYHEF-MRXNPFEDSA-N 0 3 293.794 3.013 20 30 CGEDHN C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc(C#N)cc1F ZINC000886125082 637425914 /nfs/dbraw/zinc/42/59/14/637425914.db2.gz IYSUABCITBAJDU-PZSREKOKSA-N 0 3 288.366 3.306 20 30 CGEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886355524 637511620 /nfs/dbraw/zinc/51/16/20/637511620.db2.gz JWACMTHILZWRKL-DLBZAZTESA-N 0 3 298.430 3.284 20 30 CGEDHN C#CC(C)(C)N(C)CCSc1cccc(OC)c1 ZINC000851986165 637565854 /nfs/dbraw/zinc/56/58/54/637565854.db2.gz DHFJPSFEKDSVPS-UHFFFAOYSA-N 0 3 263.406 3.131 20 30 CGEDHN C#C[C@](C)(CC)NCc1cc(=O)oc2cc(CC)ccc12 ZINC000852102505 637596277 /nfs/dbraw/zinc/59/62/77/637596277.db2.gz YOYLBXKXHHVVQK-GOSISDBHSA-N 0 3 283.371 3.247 20 30 CGEDHN N#CC[C@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000852320735 637634605 /nfs/dbraw/zinc/63/46/05/637634605.db2.gz OGGBAXOMEVPHIV-GHMZBOCLSA-N 0 3 261.196 3.196 20 30 CGEDHN C=CCN(Cc1cccc2c1OCCO2)C(C)(C)C ZINC000852554385 637678772 /nfs/dbraw/zinc/67/87/72/637678772.db2.gz LDBFAPMZWZPOSZ-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccccn2)CCC1 ZINC000852565261 637679884 /nfs/dbraw/zinc/67/98/84/637679884.db2.gz FQIOHSQMXMLTJV-GDBMZVCRSA-N 0 3 269.392 3.076 20 30 CGEDHN C=CCC1(O)CCN(Cc2ccccc2OC2CC2)CC1 ZINC000886778514 637686447 /nfs/dbraw/zinc/68/64/47/637686447.db2.gz FAAWYEZWRXRAEV-UHFFFAOYSA-N 0 3 287.403 3.131 20 30 CGEDHN CO[C@H](C=Nn1cnc2ccccc21)C1CCCCC1 ZINC000853284229 637800052 /nfs/dbraw/zinc/80/00/52/637800052.db2.gz USIDOVKMPFWJKT-MRXNPFEDSA-N 0 3 271.364 3.466 20 30 CGEDHN FC(F)(F)[C@@H]1C=C(NNc2ccnc(Cl)c2)CCO1 ZINC000853395027 637833893 /nfs/dbraw/zinc/83/38/93/637833893.db2.gz IJOQQEYDKAZNLT-VIFPVBQESA-N 0 3 293.676 3.244 20 30 CGEDHN CC[C@@H]([NH2+]CCCN(CC)CC)c1cccc(C#N)c1[O-] ZINC000924528946 638351401 /nfs/dbraw/zinc/35/14/01/638351401.db2.gz RXIIXZOBSGZYAT-MRXNPFEDSA-N 0 3 289.423 3.036 20 30 CGEDHN C=CCC1(CN[C@@H]2C[C@@H](C)n3ncnc32)CCCC1 ZINC000926538605 638782614 /nfs/dbraw/zinc/78/26/14/638782614.db2.gz AIGMHAMOLPPCCD-CHWSQXEVSA-N 0 3 260.385 3.010 20 30 CGEDHN N#CC1(CN[C@H]2CCOC23CCCCC3)CCCC1 ZINC000926878606 638820443 /nfs/dbraw/zinc/82/04/43/638820443.db2.gz GLOCUPREDCQKGB-AWEZNQCLSA-N 0 3 262.397 3.152 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCc3cccnc32)C1 ZINC000927061976 638836340 /nfs/dbraw/zinc/83/63/40/638836340.db2.gz VTIMDYLILFJMSG-BPLDGKMQSA-N 0 3 255.365 3.131 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCCc3cccnc32)C1 ZINC000927061977 638836425 /nfs/dbraw/zinc/83/64/25/638836425.db2.gz VTIMDYLILFJMSG-NWANDNLSSA-N 0 3 255.365 3.131 20 30 CGEDHN C[C@H](NC1([C@@H]2CCCCO2)CC1)c1ccc(C#N)c(F)c1 ZINC000927165127 638849619 /nfs/dbraw/zinc/84/96/19/638849619.db2.gz ZSFZUPCEKBIUGT-LRDDRELGSA-N 0 3 288.366 3.450 20 30 CGEDHN C[C@H](C(=O)Nc1ccc(CCC#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000928406952 638881338 /nfs/dbraw/zinc/88/13/38/638881338.db2.gz ZUIHYUSZOFDTNF-QLFBSQMISA-N 0 3 299.418 3.343 20 30 CGEDHN CN(CCc1ccc(Cl)cc1)Cc1cncc(C#N)c1 ZINC000929640221 638936444 /nfs/dbraw/zinc/93/64/44/638936444.db2.gz JOQGGXXPJGUAKX-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN Cc1ccc(CN(C)CCCOc2ccc(C#N)cc2)o1 ZINC000035699743 639047515 /nfs/dbraw/zinc/04/75/15/639047515.db2.gz ALBANDGCMAVKPB-UHFFFAOYSA-N 0 3 284.359 3.361 20 30 CGEDHN C[C@@]1(Cc2cccc(Cl)c2)CCCN1C[C@H](O)CC#N ZINC000930850488 639075838 /nfs/dbraw/zinc/07/58/38/639075838.db2.gz SCVARCAGTCKNQH-CVEARBPZSA-N 0 3 292.810 3.012 20 30 CGEDHN C=C(C)CCN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931794967 639206556 /nfs/dbraw/zinc/20/65/56/639206556.db2.gz DIODDWXQMGMGEO-QGZVFWFLSA-N 0 3 267.376 3.323 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccccc2C2(C)CC2)CC1 ZINC000932140746 639273732 /nfs/dbraw/zinc/27/37/32/639273732.db2.gz HSDMCYFUGWJVPV-UHFFFAOYSA-N 0 3 298.430 3.118 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cnn(CC2CCC2)c1 ZINC000934560630 639631076 /nfs/dbraw/zinc/63/10/76/639631076.db2.gz FTWFLYKASORIDD-ZDUSSCGKSA-N 0 3 272.396 3.028 20 30 CGEDHN C=CCCCN(CC)CC(=O)N[C@H](C)c1cccs1 ZINC000934650540 639650816 /nfs/dbraw/zinc/65/08/16/639650816.db2.gz KVRQAYDLKCPCGD-CYBMUJFWSA-N 0 3 280.437 3.213 20 30 CGEDHN C=CCCCCN1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934791003 639677442 /nfs/dbraw/zinc/67/74/42/639677442.db2.gz JAYUGYCRPLFGRM-BETUJISGSA-N 0 3 278.362 3.300 20 30 CGEDHN Cc1cccc(C2=CCN(CCO[C@@H](C)C#N)CC2)c1C ZINC000934841400 639688629 /nfs/dbraw/zinc/68/86/29/639688629.db2.gz PDNSCBAPAPVSMK-HNNXBMFYSA-N 0 3 284.403 3.321 20 30 CGEDHN C#CCN(CCOC(C)C)[C@H]1CCc2ccccc21 ZINC000079997228 640442704 /nfs/dbraw/zinc/44/27/04/640442704.db2.gz DSRGMDUMJHPEGT-KRWDZBQOSA-N 0 3 257.377 3.034 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCCOC2)c([O-])c1 ZINC000193680108 640488507 /nfs/dbraw/zinc/48/85/07/640488507.db2.gz NQGSXBZRQHIGCL-QCUKBLKESA-N 0 3 290.407 3.084 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016433031 640999152 /nfs/dbraw/zinc/99/91/52/640999152.db2.gz NQFICQZFOULOPO-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@@H]1C ZINC001017576831 641013222 /nfs/dbraw/zinc/01/32/22/641013222.db2.gz DUQHFZLZFAAMEG-VVLHAWIVSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)(C)C1 ZINC001017912762 641018776 /nfs/dbraw/zinc/01/87/76/641018776.db2.gz FQDBUHAYKNHTFU-HRCADAONSA-N 0 3 290.451 3.064 20 30 CGEDHN N#Cc1ccc([C@@H](NCC2CCCCCCC2)C(N)=O)cc1 ZINC000115597795 641022434 /nfs/dbraw/zinc/02/24/34/641022434.db2.gz ITRUFJWORDEZAM-QGZVFWFLSA-N 0 3 299.418 3.035 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCc2ccccc21)c1ccccn1 ZINC000115903177 641028326 /nfs/dbraw/zinc/02/83/26/641028326.db2.gz WVZXETQPKAUZCT-GDBMZVCRSA-N 0 3 276.339 3.378 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC001155438728 805582100 /nfs/dbraw/zinc/58/21/00/805582100.db2.gz GVSUSMFGJJECJQ-JKSUJKDBSA-N 0 3 294.483 3.299 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)CCCC(C)(C)C ZINC001155702158 805605095 /nfs/dbraw/zinc/60/50/95/805605095.db2.gz QHTQBXRWGNIRIP-UHFFFAOYSA-N 0 3 274.836 3.051 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@](C)(CC)CCC ZINC001156036579 805645401 /nfs/dbraw/zinc/64/54/01/805645401.db2.gz WBGZGLQADKNBKZ-NVXWUHKLSA-N 0 3 280.456 3.053 20 30 CGEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001157661958 805847426 /nfs/dbraw/zinc/84/74/26/805847426.db2.gz QYARRMKGNRZKFK-MRXNPFEDSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C=C(CC)CC ZINC001157796620 805871379 /nfs/dbraw/zinc/87/13/79/805871379.db2.gz LWBMLMQKTOXYHQ-MRXNPFEDSA-N 0 3 278.440 3.232 20 30 CGEDHN CC[C@@H](O)CN(CCC#N)C1CCCCCCC1 ZINC001251771592 805932558 /nfs/dbraw/zinc/93/25/58/805932558.db2.gz XVXBEJYEWRPMSO-OAHLLOKOSA-N 0 3 252.402 3.086 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C=C)CC ZINC001158370293 805946209 /nfs/dbraw/zinc/94/62/09/805946209.db2.gz SYRMDGQALDWNPH-HZPDHXFCSA-N 0 3 278.440 3.088 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1ccccn1 ZINC001252119798 806006156 /nfs/dbraw/zinc/00/61/56/806006156.db2.gz GJMFAOJAWJDAKC-INIZCTEOSA-N 0 3 264.413 3.283 20 30 CGEDHN CCCCCCCC[C@@H](O)CNC(C)(C)C(C)=O ZINC001252131200 806018039 /nfs/dbraw/zinc/01/80/39/806018039.db2.gz IVXBLZHQBVDCGP-CQSZACIVSA-N 0 3 257.418 3.055 20 30 CGEDHN C=C[C@](C)(O)CN[C@H](c1ccncc1)c1ccccc1C ZINC001252541593 806059245 /nfs/dbraw/zinc/05/92/45/806059245.db2.gz PEGQQEGLVCVIDL-MSOLQXFVSA-N 0 3 282.387 3.006 20 30 CGEDHN C=C[C@](C)(O)CNCc1cc(C(F)(F)F)ccc1Cl ZINC001252572012 806072775 /nfs/dbraw/zinc/07/27/75/806072775.db2.gz MFKHEUDUVUERQY-LBPRGKRZSA-N 0 3 293.716 3.385 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1)c1ccncc1 ZINC001252614482 806090113 /nfs/dbraw/zinc/09/01/13/806090113.db2.gz KHPPQYUMVQNHMT-ROUUACIJSA-N 0 3 282.387 3.088 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNCc1ccnn1C ZINC001252980307 806145616 /nfs/dbraw/zinc/14/56/16/806145616.db2.gz NGAXFPKYKWNYKP-KRWDZBQOSA-N 0 3 295.471 3.401 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCc1cncn1C ZINC001252980880 806145845 /nfs/dbraw/zinc/14/58/45/806145845.db2.gz VMKLYXDRGIHWFT-QGZVFWFLSA-N 0 3 295.471 3.401 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CN1CC2(CN(C)C2)C1 ZINC001252983730 806146430 /nfs/dbraw/zinc/14/64/30/806146430.db2.gz YVDQTASPKNQLJD-QGZVFWFLSA-N 0 3 296.499 3.126 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ccco1 ZINC001253229812 806185692 /nfs/dbraw/zinc/18/56/92/806185692.db2.gz QZTRWAHPPUFWGY-CQSZACIVSA-N 0 3 251.370 3.257 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1CCC[C@@H]1CF ZINC001253242197 806192069 /nfs/dbraw/zinc/19/20/69/806192069.db2.gz IGRKJALBXVCCEU-CABCVRRESA-N 0 3 257.393 3.308 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1ccoc1 ZINC001253248910 806195054 /nfs/dbraw/zinc/19/50/54/806195054.db2.gz CMOMACWZDNIWLO-OAHLLOKOSA-N 0 3 251.370 3.257 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1ccc(F)cn1 ZINC001253250970 806196322 /nfs/dbraw/zinc/19/63/22/806196322.db2.gz GPTIZOUNLXWBFH-INIZCTEOSA-N 0 3 280.387 3.198 20 30 CGEDHN CN(C)c1cccc(N[C@@H]2CCc3c2cccc3C#N)n1 ZINC001159914407 806198135 /nfs/dbraw/zinc/19/81/35/806198135.db2.gz MAAAQKYBIIWWCW-OAHLLOKOSA-N 0 3 278.359 3.119 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1ncc2cc(C)ccc2n1 ZINC001160954066 806328651 /nfs/dbraw/zinc/32/86/51/806328651.db2.gz PKSRXBNVBBRNJT-HNNXBMFYSA-N 0 3 282.391 3.001 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)cc(C2CC2)n1 ZINC001160953711 806329006 /nfs/dbraw/zinc/32/90/06/806329006.db2.gz HPCQDHCYUBBVNC-LBPRGKRZSA-N 0 3 292.814 3.070 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001160979459 806333417 /nfs/dbraw/zinc/33/34/17/806333417.db2.gz SMJXRMRKJCCNSI-ZFWWWQNUSA-N 0 3 286.847 3.051 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001161035818 806340540 /nfs/dbraw/zinc/34/05/40/806340540.db2.gz BKORYASAHBZQNS-RDJZCZTQSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001161125790 806350417 /nfs/dbraw/zinc/35/04/17/806350417.db2.gz AUQOGMHYJDOHQW-IRXDYDNUSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001161125788 806351165 /nfs/dbraw/zinc/35/11/65/806351165.db2.gz AUQOGMHYJDOHQW-DLBZAZTESA-N 0 3 290.451 3.137 20 30 CGEDHN CC(=O)CN(C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254352752 806382300 /nfs/dbraw/zinc/38/23/00/806382300.db2.gz CVUMZWQBWZFKDT-UHFFFAOYSA-N 0 3 288.366 3.050 20 30 CGEDHN COc1ccc(C2=CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254676988 806484363 /nfs/dbraw/zinc/48/43/63/806484363.db2.gz PJRWRSBVWMNTPK-PBHICJAKSA-N 0 3 282.387 3.477 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H]1CCc2ccc(Cl)cc2C1 ZINC001255155872 806556813 /nfs/dbraw/zinc/55/68/13/806556813.db2.gz BVXXKHKKJNWLAM-LSDHHAIUSA-N 0 3 262.784 3.479 20 30 CGEDHN CC[C@H](CC#N)NCC1(Cc2ccccn2)CCC1 ZINC001255161366 806560112 /nfs/dbraw/zinc/56/01/12/806560112.db2.gz ZVHMPFLZYRHWGD-CQSZACIVSA-N 0 3 257.381 3.076 20 30 CGEDHN C#CCCCNc1cccc(N2CCCC[C@@H]2C)n1 ZINC001162440047 806585973 /nfs/dbraw/zinc/58/59/73/806585973.db2.gz LLZCBTUHHZMMSP-AWEZNQCLSA-N 0 3 257.381 3.286 20 30 CGEDHN CN(C)/C=N/c1ccc(NC(C)(C)C2CC2)cc1C#N ZINC001162521913 806607688 /nfs/dbraw/zinc/60/76/88/806607688.db2.gz AYGLCEYDYDWCGP-WOJGMQOQSA-N 0 3 270.380 3.380 20 30 CGEDHN C[C@H](N)c1nc2ccccc2n1-c1cccc(F)c1CC#N ZINC001162778347 806663495 /nfs/dbraw/zinc/66/34/95/806663495.db2.gz JNPQQGUOASQCMV-NSHDSACASA-N 0 3 294.333 3.250 20 30 CGEDHN N#CC(C(=O)CCCOc1ccccc1F)c1ccccn1 ZINC000125472003 799001828 /nfs/dbraw/zinc/00/18/28/799001828.db2.gz OSNJBKDBWGPEKG-ZDUSSCGKSA-N 0 3 298.317 3.256 20 30 CGEDHN COc1cc(N[C@@H]2CNCc3ccsc32)ccc1CC#N ZINC001163230748 806732264 /nfs/dbraw/zinc/73/22/64/806732264.db2.gz ZLZVHNIBRFGCQY-CQSZACIVSA-N 0 3 299.399 3.079 20 30 CGEDHN C=C(Br)CN[C@@H](CC(F)(F)F)C(C)C ZINC000379635898 799351668 /nfs/dbraw/zinc/35/16/68/799351668.db2.gz QZJWKBNUBSPELR-QMMMGPOBSA-N 0 3 274.124 3.462 20 30 CGEDHN C#C[C@H](NCc1cc(Cl)c(OC)c(OC)c1)C(C)C ZINC000387637448 799447868 /nfs/dbraw/zinc/44/78/68/799447868.db2.gz UWSDODCMYVGFJB-ZDUSSCGKSA-N 0 3 281.783 3.105 20 30 CGEDHN C=C(Br)CN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000389265661 799461050 /nfs/dbraw/zinc/46/10/50/799461050.db2.gz IFUIKYRXEYUCIB-ZJUUUORDSA-N 0 3 278.259 3.405 20 30 CGEDHN C[C@H](Cc1ccccc1F)NCc1ccccc1C#N ZINC001255831538 806761049 /nfs/dbraw/zinc/76/10/49/806761049.db2.gz SUPNMQZKHQBJDQ-CYBMUJFWSA-N 0 3 268.335 3.418 20 30 CGEDHN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)c1ccccn1 ZINC000695929229 799835572 /nfs/dbraw/zinc/83/55/72/799835572.db2.gz DHJOYSDILYFGBO-QWHCGFSZSA-N 0 3 254.333 3.228 20 30 CGEDHN COc1ccc(CN[C@H](C)CC(C)(C)C#N)c(OC)c1 ZINC000695842810 799836181 /nfs/dbraw/zinc/83/61/81/799836181.db2.gz MPTVGJWNCCNAQC-GFCCVEGCSA-N 0 3 276.380 3.122 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCCC2(CC2)C1)c1ccccn1 ZINC000695929228 799836303 /nfs/dbraw/zinc/83/63/03/799836303.db2.gz DHJOYSDILYFGBO-OLZOCXBDSA-N 0 3 254.333 3.228 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC(F)F)cc1)C(C)(C)C ZINC000702290909 799906681 /nfs/dbraw/zinc/90/66/81/799906681.db2.gz QIQSLULFIZISFZ-CYBMUJFWSA-N 0 3 267.319 3.426 20 30 CGEDHN C#C[C@H](NCc1ccc(OC(F)F)cc1)C(C)(C)C ZINC000702290912 799907248 /nfs/dbraw/zinc/90/72/48/799907248.db2.gz QIQSLULFIZISFZ-ZDUSSCGKSA-N 0 3 267.319 3.426 20 30 CGEDHN CC(C)CN(CCC#N)C[C@@H]1CC(C)(C)OC1(C)C ZINC000711278353 800051037 /nfs/dbraw/zinc/05/10/37/800051037.db2.gz IKJSPVUVCOFYGT-AWEZNQCLSA-N 0 3 266.429 3.452 20 30 CGEDHN C=CCCC(C)(C)CN[C@@H](C)c1cn(CCC)nn1 ZINC000715853999 800148348 /nfs/dbraw/zinc/14/83/48/800148348.db2.gz KOXXQGMOQOFFNM-ZDUSSCGKSA-N 0 3 264.417 3.331 20 30 CGEDHN CC(C)N(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000721571831 800294368 /nfs/dbraw/zinc/29/43/68/800294368.db2.gz KRSPXHHYVWXYAS-UHFFFAOYSA-N 0 3 265.360 3.364 20 30 CGEDHN CC(C)(C)C[C@@H]1CCN(Cc2cncc(C#N)c2)C1 ZINC000721616449 800297082 /nfs/dbraw/zinc/29/70/82/800297082.db2.gz YRJSMVVNBAPISN-ZDUSSCGKSA-N 0 3 257.381 3.211 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000809424240 800437546 /nfs/dbraw/zinc/43/75/46/800437546.db2.gz FUBDJBNNCXPUOW-CQSZACIVSA-N 0 3 292.382 3.477 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2cccc(OC)c2)cc1 ZINC000809538929 800443249 /nfs/dbraw/zinc/44/32/49/800443249.db2.gz WLRLYDRIXZFMRG-UHFFFAOYSA-N 0 3 265.356 3.309 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000809540087 800443705 /nfs/dbraw/zinc/44/37/05/800443705.db2.gz JYFBGJIEPYPTJN-GOSISDBHSA-N 0 3 264.372 3.344 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001006210221 800698762 /nfs/dbraw/zinc/69/87/62/800698762.db2.gz HZCASLAMKPPXBY-DOTOQJQBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001023628591 800713207 /nfs/dbraw/zinc/71/32/07/800713207.db2.gz CYDRDONQJUICIC-LLVKDONJSA-N 0 3 298.839 3.029 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001024706041 800736011 /nfs/dbraw/zinc/73/60/11/800736011.db2.gz REKLSJWGXJUMHR-HNNXBMFYSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001024804857 800736753 /nfs/dbraw/zinc/73/67/53/800736753.db2.gz JHGOKGCLZYVPQT-QGZVFWFLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001028018197 800828117 /nfs/dbraw/zinc/82/81/17/800828117.db2.gz OXUYOQUOKGBECG-MRXNPFEDSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028296196 800840833 /nfs/dbraw/zinc/84/08/33/800840833.db2.gz PXVSERHPOQIVNJ-KRWDZBQOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001029419610 800867997 /nfs/dbraw/zinc/86/79/97/800867997.db2.gz HOXHYWUFHZIICY-KFWWJZLASA-N 0 3 296.430 3.012 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032612826 800933132 /nfs/dbraw/zinc/93/31/32/800933132.db2.gz CMRMCBHGLNWMJV-JYJNAYRXSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033458374 800965805 /nfs/dbraw/zinc/96/58/05/800965805.db2.gz PXUYHMIQGIYWRG-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033706846 800976520 /nfs/dbraw/zinc/97/65/20/800976520.db2.gz JCLDCKMQDNSZHX-AWEZNQCLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2coc3ccccc23)C1 ZINC001033712255 800976801 /nfs/dbraw/zinc/97/68/01/800976801.db2.gz YZRMSHQABKRJJM-AWEZNQCLSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033786798 800982173 /nfs/dbraw/zinc/98/21/73/800982173.db2.gz YZKGTKPDCZZVDA-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001034386223 801023758 /nfs/dbraw/zinc/02/37/58/801023758.db2.gz XLOWHPSAMWDLBM-OAHLLOKOSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034517510 801030781 /nfs/dbraw/zinc/03/07/81/801030781.db2.gz ZSOKUDSVRLUGQB-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038287288 801123439 /nfs/dbraw/zinc/12/34/39/801123439.db2.gz KOZMESYZENUMOP-DLBZAZTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C1CC1 ZINC001039372150 801159926 /nfs/dbraw/zinc/15/99/26/801159926.db2.gz NJEYSGQAPXYNGW-CVEARBPZSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)CC1 ZINC001039887930 801167785 /nfs/dbraw/zinc/16/77/85/801167785.db2.gz LULJKPVQQZQOIQ-CALCHBBNSA-N 0 3 290.451 3.207 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 ZINC001042336747 801204767 /nfs/dbraw/zinc/20/47/67/801204767.db2.gz ZJLXYIJRVSVKHX-SJLPKXTDSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(C=C)cc2)CC1 ZINC001045568399 801280963 /nfs/dbraw/zinc/28/09/63/801280963.db2.gz QCMSVMQZINQNJP-UHFFFAOYSA-N 0 3 284.403 3.100 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001045648736 801284399 /nfs/dbraw/zinc/28/43/99/801284399.db2.gz AWXONBJZLHVTBT-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046748904 801320525 /nfs/dbraw/zinc/32/05/25/801320525.db2.gz BBAKWCPGFSGHKX-SFHVURJKSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2csc(Cl)c2)C1 ZINC001046674639 801321346 /nfs/dbraw/zinc/32/13/46/801321346.db2.gz YLZTWVODEQVRBI-AWEZNQCLSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccccc2Cl)C1 ZINC001046790012 801326757 /nfs/dbraw/zinc/32/67/57/801326757.db2.gz XHBPECKJKYAFCK-INIZCTEOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(C(C)C)n1 ZINC001256460957 806903759 /nfs/dbraw/zinc/90/37/59/806903759.db2.gz QYQUOQFPTPGPQO-TZMCWYRMSA-N 0 3 280.437 3.337 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049500176 801375378 /nfs/dbraw/zinc/37/53/78/801375378.db2.gz CXTMEJNCMRIXCM-UONOGXRCSA-N 0 3 296.842 3.016 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CC ZINC001049671428 801383331 /nfs/dbraw/zinc/38/33/31/801383331.db2.gz LHOLNKGHYRNOOY-MSOLQXFVSA-N 0 3 298.430 3.114 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001049701045 801386548 /nfs/dbraw/zinc/38/65/48/801386548.db2.gz YSPXBVLTXQSYJN-HRCADAONSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001049701040 801386787 /nfs/dbraw/zinc/38/67/87/801386787.db2.gz YSPXBVLTXQSYJN-ARFHVFGLSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(C/C=C/Cl)CC2)C1 ZINC001052693711 801449375 /nfs/dbraw/zinc/44/93/75/801449375.db2.gz XZZARXIUEQEUFI-GBXSZLQWSA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085594575 801695455 /nfs/dbraw/zinc/69/54/55/801695455.db2.gz JYUNFELJRFCQGS-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085727864 801701185 /nfs/dbraw/zinc/70/11/85/801701185.db2.gz KEUNZRYXYUZINQ-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCC(=C)C)cc1 ZINC001085835890 801707245 /nfs/dbraw/zinc/70/72/45/801707245.db2.gz WGDXRHLASXEEDM-GOSISDBHSA-N 0 3 298.430 3.442 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001086688958 801733192 /nfs/dbraw/zinc/73/31/92/801733192.db2.gz RXMQZDDVOCTLSQ-GXTWGEPZSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1CC ZINC001087581973 801757948 /nfs/dbraw/zinc/75/79/48/801757948.db2.gz LNWGOKOHVQDKTP-JKSUJKDBSA-N 0 3 298.386 3.202 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1CC ZINC001087837277 801768148 /nfs/dbraw/zinc/76/81/48/801768148.db2.gz CGXUWVQGTIKDHB-JZXOWHBKSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC(C)C)C1 ZINC001088252320 801777267 /nfs/dbraw/zinc/77/72/67/801777267.db2.gz NPQZPIYZKBORQD-CQSZACIVSA-N 0 3 286.847 3.146 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC2CCC2)C1 ZINC001088287999 801781093 /nfs/dbraw/zinc/78/10/93/801781093.db2.gz KFQUILPKGBYXSZ-HNNXBMFYSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)/C(C)=C/C)C1 ZINC001088291953 801781665 /nfs/dbraw/zinc/78/16/65/801781665.db2.gz QDCWRVNBJLDHAL-RUJPKEBESA-N 0 3 284.831 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(C)CCC2)C1 ZINC001088362447 801786240 /nfs/dbraw/zinc/78/62/40/801786240.db2.gz RZTIFGROTVBWGK-AWEZNQCLSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)ccc1C)C2 ZINC001096425524 801889197 /nfs/dbraw/zinc/88/91/97/801889197.db2.gz VQSCDYGOJUQZBK-NJAFHUGGSA-N 0 3 298.430 3.215 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C1CCCCC1)C2 ZINC001096859670 801896166 /nfs/dbraw/zinc/89/61/66/801896166.db2.gz PJEADVHLAQYJPS-ZACQAIPSSA-N 0 3 288.435 3.175 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C1CCCC1)C2 ZINC001098191092 801906477 /nfs/dbraw/zinc/90/64/77/801906477.db2.gz ZXHYBTJJZJHSCE-DZUCGIPZSA-N 0 3 290.451 3.110 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001098939756 801921994 /nfs/dbraw/zinc/92/19/94/801921994.db2.gz SVCIARDQAJLVDJ-UKYUDJEDSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCCCC(=O)NC[C@H]1CCC(C)(C)CN1CC=C ZINC001099200277 801934097 /nfs/dbraw/zinc/93/40/97/801934097.db2.gz YHBVLKKMZXGZBI-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC(C)C ZINC001099286369 801935682 /nfs/dbraw/zinc/93/56/82/801935682.db2.gz VPFHUNSABUEHMQ-CVEARBPZSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104491906 802049033 /nfs/dbraw/zinc/04/90/33/802049033.db2.gz HPIAHNVHCBKMQG-TZMCWYRMSA-N 0 3 298.858 3.025 20 30 CGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(F)CCCC)C2 ZINC001109467200 802116478 /nfs/dbraw/zinc/11/64/78/802116478.db2.gz NVMKXVIUYCJZOV-WBTNSWJXSA-N 0 3 296.430 3.202 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC(C)C)C2 ZINC001109944129 802127902 /nfs/dbraw/zinc/12/79/02/802127902.db2.gz BFYMNLFCCAOFIV-YVSFHVDLSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2CCCC2)CC1 ZINC001112598582 802181282 /nfs/dbraw/zinc/18/12/82/802181282.db2.gz RLNFJPJRJLTMPN-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C#CCCCCC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001112773915 802190131 /nfs/dbraw/zinc/19/01/31/802190131.db2.gz BBSYCZVHAHEBCD-KRWDZBQOSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001113217860 802206470 /nfs/dbraw/zinc/20/64/70/802206470.db2.gz MPHIZJKJQFFEEJ-HTRKUNOGSA-N 0 3 276.424 3.008 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C=C(C)C)CCCCC1 ZINC001115392482 802259164 /nfs/dbraw/zinc/25/91/64/802259164.db2.gz XGUFBLVUYZOQFB-UHFFFAOYSA-N 0 3 284.831 3.114 20 30 CGEDHN N#CC1(CN[C@@H]2CCO[C@H](c3ccccc3)C2)CCC1 ZINC001256783977 806977395 /nfs/dbraw/zinc/97/73/95/806977395.db2.gz FQKAOGGIHJVOOJ-CVEARBPZSA-N 0 3 270.376 3.190 20 30 CGEDHN N#Cc1cccc(C2(NC[C@@H](O)c3cccc(F)c3)CC2)c1 ZINC001117067901 802432840 /nfs/dbraw/zinc/43/28/40/802432840.db2.gz DHWOPTOAYYGXTD-QGZVFWFLSA-N 0 3 296.345 3.010 20 30 CGEDHN C#C[C@H]1CCCN(c2c(C)cnc3ccccc32)C1 ZINC001118337250 802550838 /nfs/dbraw/zinc/55/08/38/802550838.db2.gz ZPUJUMHTKFWFSM-AWEZNQCLSA-N 0 3 250.345 3.393 20 30 CGEDHN CS[C@H]1CC[C@H](N(C)CC#Cc2ccccc2)C1 ZINC001119929104 802708200 /nfs/dbraw/zinc/70/82/00/802708200.db2.gz JDKAJHRETPXTEB-HOTGVXAUSA-N 0 3 259.418 3.254 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C1(CCc2ccccc2)CC1 ZINC001122518899 802873988 /nfs/dbraw/zinc/87/39/88/802873988.db2.gz RYIKTXVKMMRRGA-HNNXBMFYSA-N 0 3 293.370 3.009 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001123335988 802930167 /nfs/dbraw/zinc/93/01/67/802930167.db2.gz AVOPSSIOJIQRBQ-DGAVXFQQSA-N 0 3 273.380 3.152 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC001123337971 802931101 /nfs/dbraw/zinc/93/11/01/802931101.db2.gz WNQOIHRVJJZZGX-DZGCQCFKSA-N 0 3 281.359 3.273 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131817385 803348949 /nfs/dbraw/zinc/34/89/49/803348949.db2.gz MLSPBQRREDPLJM-HUUCEWRRSA-N 0 3 266.429 3.112 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132369424 803397566 /nfs/dbraw/zinc/39/75/66/803397566.db2.gz XDYWBHUNRXSUKC-HZPDHXFCSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(CC)CC)CC[C@H]1C ZINC001132392568 803399498 /nfs/dbraw/zinc/39/94/98/803399498.db2.gz MNQFYFMFOGAIEK-GDBMZVCRSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN1C[C@H](NC(=O)CCCCCC)CC[C@H]1C ZINC001132463964 803406113 /nfs/dbraw/zinc/40/61/13/803406113.db2.gz KWZVYUQDOVTBEH-HUUCEWRRSA-N 0 3 266.429 3.112 20 30 CGEDHN CC#CCNCCNC(=O)[C@@H](CCC)CC1CCCCC1 ZINC001134679309 803551166 /nfs/dbraw/zinc/55/11/66/803551166.db2.gz DPMLPMIKVQVCBC-KRWDZBQOSA-N 0 3 292.467 3.102 20 30 CGEDHN CCc1cc(-c2cncc(CN(C)C)c2)ccc1C#N ZINC001244956023 803591078 /nfs/dbraw/zinc/59/10/78/803591078.db2.gz RBGATFWYLUGSPJ-UHFFFAOYSA-N 0 3 265.360 3.244 20 30 CGEDHN COC[C@H]1CCN1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336364 803899058 /nfs/dbraw/zinc/89/90/58/803899058.db2.gz QXLPPQWQSASGEN-HXUWFJFHSA-N 0 3 291.394 3.307 20 30 CGEDHN C=C(C)COc1ccccc1CN(C)CC1(C)COC1 ZINC001138665682 803997373 /nfs/dbraw/zinc/99/73/73/803997373.db2.gz SORHPPNVTCYBQC-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN Cn1ccc2cc(CN3CCC[C@H](CC#N)C3)ccc21 ZINC001139190743 804154042 /nfs/dbraw/zinc/15/40/42/804154042.db2.gz UUFXNHMKRFUXBL-CQSZACIVSA-N 0 3 267.376 3.304 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139393618 804185235 /nfs/dbraw/zinc/18/52/35/804185235.db2.gz XUMCSYPFTUUADW-UHFFFAOYSA-N 0 3 292.386 3.269 20 30 CGEDHN C=CCn1cc(CN(C)[C@@H](C)Cc2ccccc2OC)cn1 ZINC001139771374 804277114 /nfs/dbraw/zinc/27/71/14/804277114.db2.gz YCNGMSAABITNBY-HNNXBMFYSA-N 0 3 299.418 3.141 20 30 CGEDHN COCC[C@H]1CCCCN1Cc1cc(F)cc(C#N)c1 ZINC001139874729 804305092 /nfs/dbraw/zinc/30/50/92/804305092.db2.gz JSCKAOBTWZZVNG-MRXNPFEDSA-N 0 3 276.355 3.088 20 30 CGEDHN N#Cc1cc(F)cc(CN2CCC[C@@H]2Cc2ccccn2)c1 ZINC001139875149 804305948 /nfs/dbraw/zinc/30/59/48/804305948.db2.gz IMAOLXHEAAQPSD-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2n[nH]cc2c1 ZINC001140387856 804428017 /nfs/dbraw/zinc/42/80/17/804428017.db2.gz VWEJMBCEXJYHPK-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN CN(C)c1ccc(CN2CCC(S)CC2)c(Cl)c1 ZINC001140925165 804550907 /nfs/dbraw/zinc/55/09/07/804550907.db2.gz PBDWHLGCXOOXQQ-UHFFFAOYSA-N 0 3 284.856 3.300 20 30 CGEDHN CSc1nc(CN2C[C@@H]3CCCC[C@@H]3C2)ccc1C#N ZINC001141932109 804680174 /nfs/dbraw/zinc/68/01/74/804680174.db2.gz SVTAPECURBKQFF-OKILXGFUSA-N 0 3 287.432 3.297 20 30 CGEDHN CC(C)(C)c1ccc(-c2noc([C@H]3CCCN3)n2)c(C#N)c1 ZINC001247497917 804752291 /nfs/dbraw/zinc/75/22/91/804752291.db2.gz MTFFBWKXAPSQMS-CQSZACIVSA-N 0 3 296.374 3.330 20 30 CGEDHN C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1[O-] ZINC001142922392 804784799 /nfs/dbraw/zinc/78/47/99/804784799.db2.gz GLQUEEFCRGGZSM-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN C[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1[O-] ZINC001142922392 804784804 /nfs/dbraw/zinc/78/48/04/804784804.db2.gz GLQUEEFCRGGZSM-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN Cn1ccc(-c2ccc(CN3CCC(C)(C#N)CC3)cc2)n1 ZINC001248766959 804988008 /nfs/dbraw/zinc/98/80/08/804988008.db2.gz OCRUCEVTMVFXPZ-UHFFFAOYSA-N 0 3 294.402 3.213 20 30 CGEDHN Cc1cc(-c2noc(C34CCCN3CCC4)n2)ccc1C#N ZINC001249223920 805115738 /nfs/dbraw/zinc/11/57/38/805115738.db2.gz VSAHFMNETPYGFU-UHFFFAOYSA-N 0 3 294.358 3.002 20 30 CGEDHN CCO[C@H]1CCCN(Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249429247 805147131 /nfs/dbraw/zinc/14/71/31/805147131.db2.gz SZJFMEUEAYSMSS-INIZCTEOSA-N 0 3 283.375 3.040 20 30 CGEDHN CC(C)(C)c1c[nH]c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001249476867 805156435 /nfs/dbraw/zinc/15/64/35/805156435.db2.gz JKJFZEXTVXKQNC-AWEZNQCLSA-N 0 3 290.432 3.086 20 30 CGEDHN Cc1cccc(NC2=CC[C@@H](N3CCOCC3)CC2)c1C#N ZINC001249557449 805175932 /nfs/dbraw/zinc/17/59/32/805175932.db2.gz YOVHRYYUKWVUSD-MRXNPFEDSA-N 0 3 297.402 3.047 20 30 CGEDHN C[C@@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)CCO1 ZINC001257016752 807028256 /nfs/dbraw/zinc/02/82/56/807028256.db2.gz IECHMUNNDLYJJL-RWBZWWBESA-N 0 3 284.403 3.305 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)CCCC2CC2)CC1 ZINC001166716985 807087255 /nfs/dbraw/zinc/08/72/55/807087255.db2.gz WSXLXTFTQHEYMM-UHFFFAOYSA-N 0 3 298.858 3.195 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166756322 807091943 /nfs/dbraw/zinc/09/19/43/807091943.db2.gz SVKUYNSVBQXDPN-CQSZACIVSA-N 0 3 298.858 3.217 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001167296653 807177771 /nfs/dbraw/zinc/17/77/71/807177771.db2.gz UTSQOGXOMQYJJX-ZIAGYGMSSA-N 0 3 298.858 3.051 20 30 CGEDHN C=CCN1CCC[C@H]1c1ccc(NC2CC(=O)C2)cc1 ZINC001167348111 807184734 /nfs/dbraw/zinc/18/47/34/807184734.db2.gz PVFCYLMRYVKZOW-KRWDZBQOSA-N 0 3 270.376 3.153 20 30 CGEDHN C=CCN1CCC[C@@H]1c1ccc(NCC(C)=O)cc1 ZINC001167631515 807220278 /nfs/dbraw/zinc/22/02/78/807220278.db2.gz CQSZOQVDXATJJO-MRXNPFEDSA-N 0 3 258.365 3.010 20 30 CGEDHN CCCCCCC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001258042956 807272481 /nfs/dbraw/zinc/27/24/81/807272481.db2.gz FLLAJBLTRJOJLJ-KBPBESRZSA-N 0 3 272.433 3.245 20 30 CGEDHN COC(=O)C1(C#N)CCN([C@@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258074184 807290928 /nfs/dbraw/zinc/29/09/28/807290928.db2.gz CLQNJWOWUZVUBB-CABCVRRESA-N 0 3 294.439 3.226 20 30 CGEDHN C=CCc1cc(C)cnc1N(C(=N)N)c1ccc(F)cc1 ZINC001167993804 807292875 /nfs/dbraw/zinc/29/28/75/807292875.db2.gz UXDQEOVAVIKQKV-UHFFFAOYSA-N 0 3 284.338 3.289 20 30 CGEDHN CN1CCCC[C@@H]1c1ccc(NCCCCC#N)nc1 ZINC001168429210 807412513 /nfs/dbraw/zinc/41/25/13/807412513.db2.gz NECUFNIJTRKEFJ-OAHLLOKOSA-N 0 3 272.396 3.344 20 30 CGEDHN CCCC1CCC(NCc2ncc(C#N)s2)CC1 ZINC001258531188 807487486 /nfs/dbraw/zinc/48/74/86/807487486.db2.gz WXRPNPYOYUYQPL-UHFFFAOYSA-N 0 3 263.410 3.463 20 30 CGEDHN CC(C)[Si](C#CNCC1OCCO1)(C(C)C)C(C)C ZINC001169064910 807564435 /nfs/dbraw/zinc/56/44/35/807564435.db2.gz WADCBFJMDMTVIQ-UHFFFAOYSA-N 0 3 283.488 3.128 20 30 CGEDHN C=CCC[C@@H](C)NCc1c(F)cc(OC)cc1F ZINC001258718045 807567719 /nfs/dbraw/zinc/56/77/19/807567719.db2.gz DESJWCOBSGHKMC-SNVBAGLBSA-N 0 3 255.308 3.418 20 30 CGEDHN C=CCC[C@H](C)[NH2+]Cc1cc(Cl)c([O-])c(OC)c1 ZINC001258721467 807570345 /nfs/dbraw/zinc/57/03/45/807570345.db2.gz WJBICQXEMRPZHF-JTQLQIEISA-N 0 3 269.772 3.499 20 30 CGEDHN C=CCC[C@H](C)N[C@H](CO)c1ccccc1Cl ZINC001258723535 807571110 /nfs/dbraw/zinc/57/11/10/807571110.db2.gz XHDHSCMCJVSKFL-SMDDNHRTSA-N 0 3 253.773 3.318 20 30 CGEDHN C=CCC[C@H](C)N1CCN(Cc2c(F)cccc2F)CC1 ZINC001258734014 807580501 /nfs/dbraw/zinc/58/05/01/807580501.db2.gz QDMZOYBCZIJCMV-AWEZNQCLSA-N 0 3 294.389 3.437 20 30 CGEDHN N#CC1(c2ccccc2)CCC(N2CCCC(=O)CC2)CC1 ZINC001170383882 807832353 /nfs/dbraw/zinc/83/23/53/807832353.db2.gz RMJJGZGAGIKJJX-UHFFFAOYSA-N 0 3 296.414 3.446 20 30 CGEDHN Fc1ccc(NCCCS)cc1CN1CCCC1 ZINC001171003224 807957272 /nfs/dbraw/zinc/95/72/72/807957272.db2.gz ONYXXRLWLRGWPW-UHFFFAOYSA-N 0 3 268.401 3.153 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2occc2C1 ZINC001171229306 808014632 /nfs/dbraw/zinc/01/46/32/808014632.db2.gz LQBNNUJFMRHFHG-ZDUSSCGKSA-N 0 3 266.344 3.141 20 30 CGEDHN N#C[C@H]1CCCN([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382715 808040086 /nfs/dbraw/zinc/04/00/86/808040086.db2.gz CYIVQXUHVGLZHR-SWLSCSKDSA-N 0 3 290.357 3.448 20 30 CGEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C=C(C)C)C1 ZINC001264442173 808072030 /nfs/dbraw/zinc/07/20/30/808072030.db2.gz NSNOOAWDKCTEKK-ZWKOTPCHSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001265082931 808108541 /nfs/dbraw/zinc/10/85/41/808108541.db2.gz ISNLGRFNNLOOHY-HIFRSBDPSA-N 0 3 296.842 3.208 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001265327295 808131969 /nfs/dbraw/zinc/13/19/69/808131969.db2.gz FEVZBCSALCVUMM-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001265560347 808154638 /nfs/dbraw/zinc/15/46/38/808154638.db2.gz OEVBPGYFDFQEFB-MJBXVCDLSA-N 0 3 286.847 3.048 20 30 CGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001265575756 808155227 /nfs/dbraw/zinc/15/52/27/808155227.db2.gz LLDFGRUMSIPWGG-IRXDYDNUSA-N 0 3 292.467 3.054 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1noc2ccccc21 ZINC001172297081 808218854 /nfs/dbraw/zinc/21/88/54/808218854.db2.gz AKHWSYXLRAISRR-ZDUSSCGKSA-N 0 3 291.354 3.420 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC001172311768 808223537 /nfs/dbraw/zinc/22/35/37/808223537.db2.gz XQTZNMJLVMVPIK-CQSZACIVSA-N 0 3 280.371 3.327 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC001172311768 808223542 /nfs/dbraw/zinc/22/35/42/808223542.db2.gz XQTZNMJLVMVPIK-CQSZACIVSA-N 0 3 280.371 3.327 20 30 CGEDHN C=C1CCC(C(=O)NCCN(C)CC2=CCCCC2)CC1 ZINC001266321039 808241265 /nfs/dbraw/zinc/24/12/65/808241265.db2.gz PWQPKZAJMUSHIP-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001266444338 808265298 /nfs/dbraw/zinc/26/52/98/808265298.db2.gz YYONBNHVBGSVLB-UHFFFAOYSA-N 0 3 296.361 3.036 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001267614886 808458486 /nfs/dbraw/zinc/45/84/86/808458486.db2.gz DXKUPCNJZRYQML-WBVHZDCISA-N 0 3 298.446 3.452 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001267690482 808470789 /nfs/dbraw/zinc/47/07/89/808470789.db2.gz BTQDSEVNTSPUAE-GOSISDBHSA-N 0 3 290.451 3.137 20 30 CGEDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C#N ZINC001173219134 808540160 /nfs/dbraw/zinc/54/01/60/808540160.db2.gz XGVPPMRSZXZHQV-CYBMUJFWSA-N 0 3 295.342 3.187 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC001268356954 808579529 /nfs/dbraw/zinc/57/95/29/808579529.db2.gz DIYINOPXLQVHQU-NSHDSACASA-N 0 3 288.794 3.021 20 30 CGEDHN C=CCOC1CCC(NCc2nc(C)ccc2F)CC1 ZINC001173313630 808607672 /nfs/dbraw/zinc/60/76/72/808607672.db2.gz CHFYWZUQJOGQHL-UHFFFAOYSA-N 0 3 278.371 3.133 20 30 CGEDHN N#CCC1CCC([NH2+]Cc2ccc([O-])cc2F)CC1 ZINC001173333176 808617013 /nfs/dbraw/zinc/61/70/13/808617013.db2.gz DZUIFOHIIDBBQT-UHFFFAOYSA-N 0 3 262.328 3.093 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001268742765 808620502 /nfs/dbraw/zinc/62/05/02/808620502.db2.gz KZQLYKPWFJQTAY-CQSZACIVSA-N 0 3 292.398 3.119 20 30 CGEDHN CCCCN(CC(=O)OCC)C1CCC(C)(C#N)CC1 ZINC001173601439 808652115 /nfs/dbraw/zinc/65/21/15/808652115.db2.gz UBRPXQVVQVHQTB-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001269293342 808665840 /nfs/dbraw/zinc/66/58/40/808665840.db2.gz WXDKNSMQYPADAK-ZIAGYGMSSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001269330997 808670183 /nfs/dbraw/zinc/67/01/83/808670183.db2.gz HNLQEGJMQOOXFL-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](CNC[C@H](F)CC)C1CCCC1 ZINC001270421684 808729864 /nfs/dbraw/zinc/72/98/64/808729864.db2.gz HJOAUZSSBPRIGE-HUUCEWRRSA-N 0 3 298.446 3.211 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](CC)CCCC)CC1 ZINC001273394367 808842322 /nfs/dbraw/zinc/84/23/22/808842322.db2.gz YMIDIETWXZVLNJ-IRXDYDNUSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(CCCC)C2 ZINC001273486103 808848345 /nfs/dbraw/zinc/84/83/45/808848345.db2.gz CCUPQFWXIXLGJR-KRWDZBQOSA-N 0 3 278.440 3.210 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)CCCCC(C)(C)C)C[C@H]1C ZINC001274623888 808879910 /nfs/dbraw/zinc/87/99/10/808879910.db2.gz NTAINPUYGXYKGB-HZPDHXFCSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1CCCCCCC1 ZINC001275122170 808912526 /nfs/dbraw/zinc/91/25/26/808912526.db2.gz WVZGOHXWXGHQSJ-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001276802027 809034191 /nfs/dbraw/zinc/03/41/91/809034191.db2.gz WGENJCDYCIHIHL-WMZOPIPTSA-N 0 3 298.430 3.221 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001276893053 809042366 /nfs/dbraw/zinc/04/23/66/809042366.db2.gz WNDGGKHDQSAVGA-SOLBZPMBSA-N 0 3 292.467 3.338 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CC[C@H](C)C2)C1 ZINC001277027192 809054208 /nfs/dbraw/zinc/05/42/08/809054208.db2.gz OBFVWCMDLFCDLA-MXAVVETBSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001277040499 809056245 /nfs/dbraw/zinc/05/62/45/809056245.db2.gz VNXXQKUNWLDORV-TUVASFSCSA-N 0 3 298.858 3.050 20 30 CGEDHN CCCCCCCCCCCN1CC[C@H]2C[C@]21C(N)=O ZINC001278182210 809118214 /nfs/dbraw/zinc/11/82/14/809118214.db2.gz RCKDVAOIZPBDQQ-DOTOQJQBSA-N 0 3 280.456 3.467 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC[C@H](C)CC)C1 ZINC001279302028 809169654 /nfs/dbraw/zinc/16/96/54/809169654.db2.gz VALOCULYQZVCEE-LMWSTFAQSA-N 0 3 286.847 3.144 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)C1CCC(C)(C)CC1 ZINC001280884327 809204290 /nfs/dbraw/zinc/20/42/90/809204290.db2.gz ZLQXANSCVKQJNS-UHFFFAOYSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCC1(C(=O)N[C@H](C)C2CN(CC(=C)C)C2)CCCC1 ZINC001282739933 809261545 /nfs/dbraw/zinc/26/15/45/809261545.db2.gz LYWCZDZURWUNES-OAHLLOKOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCCC)C[C@H]2C1 ZINC001282938036 809266925 /nfs/dbraw/zinc/26/69/25/809266925.db2.gz JBSHEJRWKGTECJ-KKUMJFAQSA-N 0 3 298.858 3.146 20 30 CGEDHN C=CCCCC(=O)N[C@]12CCC[C@@H]1N(C[C@@H](F)CC)CC2 ZINC001284070329 809294836 /nfs/dbraw/zinc/29/48/36/809294836.db2.gz SKXJAUOFRKCCMP-ZOBUZTSGSA-N 0 3 296.430 3.204 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NC/C=C/Cl)C(C)(C)C1 ZINC001284291317 809303423 /nfs/dbraw/zinc/30/34/23/809303423.db2.gz BVUZKRYKGUBHKZ-SBDDDAINSA-N 0 3 298.858 3.168 20 30 CGEDHN C=CCC1(C(=O)N(C)C2CC(NCC(=C)Cl)C2)CCC1 ZINC001284790217 809318702 /nfs/dbraw/zinc/31/87/02/809318702.db2.gz NSPVJPQPHJLLMZ-UHFFFAOYSA-N 0 3 296.842 3.064 20 30 CGEDHN C#CCCCCCCN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001175513794 809435969 /nfs/dbraw/zinc/43/59/69/809435969.db2.gz WWNKGJITHKCQLJ-GOSISDBHSA-N 0 3 297.446 3.450 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1sccc1C(C)C ZINC001297378989 809516149 /nfs/dbraw/zinc/51/61/49/809516149.db2.gz LWEBZEVHFIHTGY-UHFFFAOYSA-N 0 3 294.464 3.451 20 30 CGEDHN C=CCn1cc(Nc2cccc3c2OCC[C@@H]3N(C)C)cn1 ZINC001176549449 809715008 /nfs/dbraw/zinc/71/50/08/809715008.db2.gz RJNXJFLSUYQCBZ-INIZCTEOSA-N 0 3 298.390 3.198 20 30 CGEDHN Cc1cc(C#N)c(NC(=O)c2ccc(CN(C)C)cc2)s1 ZINC001187277685 810393773 /nfs/dbraw/zinc/39/37/73/810393773.db2.gz MRJJTFNBDFUOGD-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](CC)CCCC)[C@@H]2C1 ZINC001188616435 810494294 /nfs/dbraw/zinc/49/42/94/810494294.db2.gz DJNOXIMFHKQAHQ-IXDOHACOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](CC)CCCCC)[C@@H]2C1 ZINC001190282804 810617374 /nfs/dbraw/zinc/61/73/74/810617374.db2.gz XBAAEGPXVGNAJD-IXDOHACOSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@H](Cc1ccsc1)N(C)Cc1cncc(C#N)c1 ZINC001191408316 810711963 /nfs/dbraw/zinc/71/19/63/810711963.db2.gz NVRHIAOEOSJNFX-GFCCVEGCSA-N 0 3 271.389 3.078 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192514275 810804380 /nfs/dbraw/zinc/80/43/80/810804380.db2.gz WVBRVLVVOXGEKX-LSDHHAIUSA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCCOC(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001194004645 810998623 /nfs/dbraw/zinc/99/86/23/810998623.db2.gz ZBFOEWQKBHDDRO-CABCVRRESA-N 0 3 282.428 3.119 20 30 CGEDHN C=CCN(Cc1ccc(Br)cc1)[C@H](C)COC ZINC001196047680 811312552 /nfs/dbraw/zinc/31/25/52/811312552.db2.gz BHQSFNJLPYHECI-GFCCVEGCSA-N 0 3 298.224 3.472 20 30 CGEDHN C=CCCN1CCCN(C(=O)C(C)(C)CC(C)C)CC1 ZINC001197761265 811451478 /nfs/dbraw/zinc/45/14/78/811451478.db2.gz YWHPNECIDDYVQL-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](C)CC(C)C)CC1 ZINC001197777515 811452773 /nfs/dbraw/zinc/45/27/73/811452773.db2.gz JWBUYRZFGGDKGH-INIZCTEOSA-N 0 3 280.456 3.169 20 30 CGEDHN C#CCN(CCSC)[C@@H]1CCCc2ccccc21 ZINC001198105805 811476411 /nfs/dbraw/zinc/47/64/11/811476411.db2.gz ZHOAXJDAKRMONA-MRXNPFEDSA-N 0 3 259.418 3.362 20 30 CGEDHN CCc1ccc2c(c1)CN(CC1(CC#N)CC1)CC2 ZINC001198851502 811548658 /nfs/dbraw/zinc/54/86/58/811548658.db2.gz IPFQWBUYPUGAKC-UHFFFAOYSA-N 0 3 254.377 3.301 20 30 CGEDHN C=CCOCc1ncn2c1CN(CC(CC)CC)CCC2 ZINC001201525136 811884362 /nfs/dbraw/zinc/88/43/62/811884362.db2.gz ANZXKCDSONRRFI-UHFFFAOYSA-N 0 3 291.439 3.228 20 30 CGEDHN C=CCNC(=O)CNCc1cccc(-c2ccc(C)cc2)c1 ZINC001201684201 811937409 /nfs/dbraw/zinc/93/74/09/811937409.db2.gz FYAAAPYTWJFWOC-UHFFFAOYSA-N 0 3 294.398 3.054 20 30 CGEDHN CCCCCCN1CCN(c2cccc(C#N)c2)CC1 ZINC001201756352 811960521 /nfs/dbraw/zinc/96/05/21/811960521.db2.gz KKQUIKUFUPZEAE-UHFFFAOYSA-N 0 3 271.408 3.261 20 30 CGEDHN CCCCCCCN1CCN(c2cccc(C)n2)CC1 ZINC001201761952 811962797 /nfs/dbraw/zinc/96/27/97/811962797.db2.gz XFVGHXTYDAHKJL-UHFFFAOYSA-N 0 3 275.440 3.482 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C(C)=C\CC)C12CCC2 ZINC001202581793 812127549 /nfs/dbraw/zinc/12/75/49/812127549.db2.gz HRBDKMNHXUSQFQ-FLFDDASRSA-N 0 3 296.842 3.112 20 30 CGEDHN Cc1ccccc1CN1CCN(c2cccc(C#N)c2)CC1 ZINC001203708524 812435874 /nfs/dbraw/zinc/43/58/74/812435874.db2.gz MTSUTZRZTPDULG-UHFFFAOYSA-N 0 3 291.398 3.189 20 30 CGEDHN O=C1C=C2CN(Cc3sccc3Cl)CCC2S1 ZINC001205319999 812952597 /nfs/dbraw/zinc/95/25/97/812952597.db2.gz SQIFAUJVTAKKSR-JTQLQIEISA-N 0 3 285.821 3.176 20 30 CGEDHN N#Cc1cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc1F ZINC001205459132 812986246 /nfs/dbraw/zinc/98/62/46/812986246.db2.gz CLIVZLCMOOCZSO-BETUJISGSA-N 0 3 280.293 3.174 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(F)c2F)no1 ZINC001206094297 813198675 /nfs/dbraw/zinc/19/86/75/813198675.db2.gz FSWCTONCBNSMPY-UHFFFAOYSA-N 0 3 291.301 3.124 20 30 CGEDHN Cn1cc(CN2CCC3(CC[C@H](F)C3)CC2)cc1C#N ZINC001207108390 813487038 /nfs/dbraw/zinc/48/70/38/813487038.db2.gz ASTNWOJFLAOLNG-AWEZNQCLSA-N 0 3 275.371 3.001 20 30 CGEDHN C=CCN1CCN(CCc2ccc(C(C)C)cc2)CC1 ZINC001207521097 813585969 /nfs/dbraw/zinc/58/59/69/813585969.db2.gz OHJCTYAWSDSOHP-UHFFFAOYSA-N 0 3 272.436 3.156 20 30 CGEDHN N#CCCN1CCN(CC2(c3ccccc3)CCCC2)CC1 ZINC001208777337 813842429 /nfs/dbraw/zinc/84/24/29/813842429.db2.gz IOUAHHJQQPOCPM-UHFFFAOYSA-N 0 3 297.446 3.030 20 30 CGEDHN CC(C)Oc1ncccc1CCN1CCC[C@@H](C#N)CC1 ZINC001208798827 813852770 /nfs/dbraw/zinc/85/27/70/813852770.db2.gz NUPWRXGUTHDACF-OAHLLOKOSA-N 0 3 287.407 3.037 20 30 CGEDHN CN1CC=C(Nc2cc(C#N)cc(C(F)(F)F)c2)CC1 ZINC001208857654 813868534 /nfs/dbraw/zinc/86/85/34/813868534.db2.gz NRORXAKLQACIJQ-UHFFFAOYSA-N 0 3 281.281 3.208 20 30 CGEDHN C=CCCCCN1CCOC[C@H]1Cc1ccccc1 ZINC001209207061 813968361 /nfs/dbraw/zinc/96/83/61/813968361.db2.gz JYOMSQNFTFHOBI-QGZVFWFLSA-N 0 3 259.393 3.286 20 30 CGEDHN COCCCCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209222319 813972994 /nfs/dbraw/zinc/97/29/94/813972994.db2.gz BVWHEJIMHDCNBC-UHFFFAOYSA-N 0 3 290.382 3.109 20 30 CGEDHN CCCCN(CCC#N)CC1C[C@H](C)O[C@@H](C)C1 ZINC001209388655 814010885 /nfs/dbraw/zinc/01/08/85/814010885.db2.gz NYMRTYANHXXHBC-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN C=CCCCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001209427231 814028800 /nfs/dbraw/zinc/02/88/00/814028800.db2.gz LCEDRGQBWSLBCV-UHFFFAOYSA-N 0 3 283.419 3.427 20 30 CGEDHN C=CCCCCCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC001209435419 814034649 /nfs/dbraw/zinc/03/46/49/814034649.db2.gz CNQNTLJSSBEGOS-UHFFFAOYSA-N 0 3 298.434 3.212 20 30 CGEDHN C=CCCCCCCCN(C)C1CCS(=O)(=O)CC1 ZINC001209441595 814040532 /nfs/dbraw/zinc/04/05/32/814040532.db2.gz IVOSCUFDFKJXSC-UHFFFAOYSA-N 0 3 287.469 3.022 20 30 CGEDHN C=CCCCCCCCN1CCc2c(cnn2C)C1 ZINC001209442282 814042802 /nfs/dbraw/zinc/04/28/02/814042802.db2.gz PLZLSHLRIFHFST-UHFFFAOYSA-N 0 3 261.413 3.305 20 30 CGEDHN C=CCCCCCCCCN1CCN(C(C)=O)[C@H](C)C1 ZINC001209445012 814045953 /nfs/dbraw/zinc/04/59/53/814045953.db2.gz CWNIOKOBTZIUFI-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN Cc1[nH]c2ncccc2c1CN(C)Cc1cccc(C#N)c1 ZINC001209593142 814094142 /nfs/dbraw/zinc/09/41/42/814094142.db2.gz OAJXJJFQGMIBEN-UHFFFAOYSA-N 0 3 290.370 3.375 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001210415718 814450869 /nfs/dbraw/zinc/45/08/69/814450869.db2.gz AHNFCSMUAJNKLD-BZUAXINKSA-N 0 3 280.456 3.071 20 30 CGEDHN C#C[C@@H](Oc1ccc2c(n1)CCNC2)[C@H](CC)CCCC ZINC001218291657 816154324 /nfs/dbraw/zinc/15/43/24/816154324.db2.gz JIWJYDHBZDUWKY-RHSMWYFYSA-N 0 3 286.419 3.324 20 30 CGEDHN C=CCOc1ccccc1O[C@H]1CNCc2ccccc21 ZINC001218485668 816240608 /nfs/dbraw/zinc/24/06/08/816240608.db2.gz AKTRCPQFPFJSBR-SFHVURJKSA-N 0 3 281.355 3.475 20 30 CGEDHN Cc1cc(O[C@H]2CNCc3ccccc32)c(C)cc1C#N ZINC001218487208 816242924 /nfs/dbraw/zinc/24/29/24/816242924.db2.gz NGQDYYOMYKULEF-SFHVURJKSA-N 0 3 278.355 3.398 20 30 CGEDHN C=CCc1ccc(O)c(O[C@@H]2CNCc3ccccc32)c1 ZINC001218490130 816245650 /nfs/dbraw/zinc/24/56/50/816245650.db2.gz RPWNWXWYTYOJGG-GOSISDBHSA-N 0 3 281.355 3.344 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221576864 816320545 /nfs/dbraw/zinc/32/05/45/816320545.db2.gz PEWPYJJFQISEIJ-HZPDHXFCSA-N 0 3 290.451 3.088 20 30 CGEDHN C[NH2+]Cc1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001242998676 823205899 /nfs/dbraw/zinc/20/58/99/823205899.db2.gz WBTOIQVVIFPTKO-VCHYOVAHSA-N 0 3 258.296 3.020 20 30 CGEDHN C=CCCCC(=O)N1CC[C@H]2CCN(C[C@H](F)CC)[C@H]2C1 ZINC001223401962 816623073 /nfs/dbraw/zinc/62/30/73/816623073.db2.gz UHAHFCUMFDVFMV-OAGGEKHMSA-N 0 3 296.430 3.014 20 30 CGEDHN CCCCCCCCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC001224253868 816761967 /nfs/dbraw/zinc/76/19/67/816761967.db2.gz MYTMKFCHFWSSGZ-MRXNPFEDSA-N 0 3 297.487 3.473 20 30 CGEDHN CC(C)N1CCC[C@@H](Oc2ccc(C#N)c(F)c2F)C1 ZINC001226017435 817250229 /nfs/dbraw/zinc/25/02/29/817250229.db2.gz KFXDCHCPXLVQDW-GFCCVEGCSA-N 0 3 280.318 3.088 20 30 CGEDHN CN1CCC[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC001226143146 817283974 /nfs/dbraw/zinc/28/39/74/817283974.db2.gz OXBKHSYUMHIQAK-GFCCVEGCSA-N 0 3 284.281 3.050 20 30 CGEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001232112184 818258435 /nfs/dbraw/zinc/25/84/35/818258435.db2.gz QJOLAKDYSWFELZ-ZIAGYGMSSA-N 0 3 260.768 3.444 20 30 CGEDHN N#Cc1ccc(F)cc1CN(C1CCC1)C1CCOCC1 ZINC001232892120 818467194 /nfs/dbraw/zinc/46/71/94/818467194.db2.gz AETHNZBIQPHNPM-UHFFFAOYSA-N 0 3 288.366 3.231 20 30 CGEDHN N#Cc1cccc(CN2CCCC3(CC(F)C3)CC2)n1 ZINC001232925937 818475946 /nfs/dbraw/zinc/47/59/46/818475946.db2.gz TZOBJMDCTKNCCY-UHFFFAOYSA-N 0 3 273.355 3.057 20 30 CGEDHN CN(C)c1ccc(CN2CCCCCC2)c(F)c1C#N ZINC001233096852 818520918 /nfs/dbraw/zinc/52/09/18/818520918.db2.gz MJWLJFMJDCSBSW-UHFFFAOYSA-N 0 3 275.371 3.139 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001234554715 818881410 /nfs/dbraw/zinc/88/14/10/818881410.db2.gz MRIUKKFIXYMOKP-AWEZNQCLSA-N 0 3 298.858 3.098 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001234604600 818890340 /nfs/dbraw/zinc/89/03/40/818890340.db2.gz RKECGLQJCYQIDL-QGZVFWFLSA-N 0 3 290.451 3.376 20 30 CGEDHN C#CC[N@@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234997150 818972717 /nfs/dbraw/zinc/97/27/17/818972717.db2.gz UUSKQFDHABNBTL-UHFFFAOYSA-N 0 3 251.329 3.124 20 30 CGEDHN C#CC[N@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234997150 818972719 /nfs/dbraw/zinc/97/27/19/818972719.db2.gz UUSKQFDHABNBTL-UHFFFAOYSA-N 0 3 251.329 3.124 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc(N3CCCC3)c2)C1 ZINC001235092775 818999782 /nfs/dbraw/zinc/99/97/82/818999782.db2.gz OHBWOMYOFHWLNG-MRXNPFEDSA-N 0 3 283.419 3.412 20 30 CGEDHN Cc1cc(OC(C)C)ncc1CN1CCC(S)CC1 ZINC001235430680 819094241 /nfs/dbraw/zinc/09/42/41/819094241.db2.gz ZGMWYIVIHFWDKK-UHFFFAOYSA-N 0 3 280.437 3.071 20 30 CGEDHN C=CCCCCN(C)Cc1ccc(C(=O)OCC)cn1 ZINC001235873121 819191694 /nfs/dbraw/zinc/19/16/94/819191694.db2.gz LWTVGZGQXGGSGG-UHFFFAOYSA-N 0 3 276.380 3.046 20 30 CGEDHN N#Cc1ccnnc1-c1cccc(CN2CCCCC2)c1F ZINC001236003173 819268698 /nfs/dbraw/zinc/26/86/98/819268698.db2.gz SSAGCLDXUCHRSZ-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001236914889 819636251 /nfs/dbraw/zinc/63/62/51/819636251.db2.gz WNFXNIDXEDPNNQ-AWEZNQCLSA-N 0 3 299.805 3.371 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCNC[C@@H]2C(F)(F)F)CC1 ZINC001236975532 819639653 /nfs/dbraw/zinc/63/96/53/819639653.db2.gz JKXINXGIYFWUBJ-ZIAGYGMSSA-N 0 3 288.357 3.125 20 30 CGEDHN C=CCN(Cc1n[nH]c2cc(OC)ccc21)C(C)(C)C ZINC001237397976 819743912 /nfs/dbraw/zinc/74/39/12/819743912.db2.gz NSTWSASEPCUMPE-UHFFFAOYSA-N 0 3 273.380 3.358 20 30 CGEDHN C[C@@]1(CO)CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC001238080122 819926931 /nfs/dbraw/zinc/92/69/31/819926931.db2.gz LOPVARYMUJXHSH-MRXNPFEDSA-N 0 3 292.810 3.196 20 30 CGEDHN CCc1cc(CN2CC[C@@]3(C2)CCCCO3)ccc1C#N ZINC001238761587 820111476 /nfs/dbraw/zinc/11/14/76/820111476.db2.gz VELMJZKUVZRQBQ-GOSISDBHSA-N 0 3 284.403 3.266 20 30 CGEDHN N#Cc1ccc(/C=C/c2ccc3c(c2)COC32CNC2)cc1 ZINC001239304171 820257751 /nfs/dbraw/zinc/25/77/51/820257751.db2.gz KXYNREOPTNICGW-DAFODLJHSA-N 0 3 288.350 3.057 20 30 CGEDHN CN1CCc2ccc(-c3cc(F)c(C#N)c(F)c3)cc2C1 ZINC001239934372 820714260 /nfs/dbraw/zinc/71/42/60/820714260.db2.gz OMGCCCCKZRYDQZ-UHFFFAOYSA-N 0 3 284.309 3.491 20 30 CGEDHN CC[N@@H+]1CCc2cc(-c3ccc([O-])c(C#N)c3)ccc2C1 ZINC001242564035 823034740 /nfs/dbraw/zinc/03/47/40/823034740.db2.gz PJUXBUWQEARTQS-UHFFFAOYSA-N 0 3 278.355 3.309 20 30 CGEDHN CC[N@H+]1CCc2cc(-c3ccc([O-])c(C#N)c3)ccc2C1 ZINC001242564035 823034745 /nfs/dbraw/zinc/03/47/45/823034745.db2.gz PJUXBUWQEARTQS-UHFFFAOYSA-N 0 3 278.355 3.309 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1cnn(C)c1C)c1cccc(C#N)c1 ZINC001339193703 936357654 /nfs/dbraw/zinc/35/76/54/936357654.db2.gz KCWCOMSCVAMGPZ-YVEFUNNKSA-N 0 3 282.391 3.402 20 30 CGEDHN C=C(C)CCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC001340771674 936413728 /nfs/dbraw/zinc/41/37/28/936413728.db2.gz ULKDHNBASIDVAH-FUHWJXTLSA-N 0 3 298.430 3.486 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H](C)c1ccccn1 ZINC001340789379 936414363 /nfs/dbraw/zinc/41/43/63/936414363.db2.gz FWCGSBJIXYKJDC-LSDHHAIUSA-N 0 3 291.439 3.337 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1CCSC ZINC001341500406 936440217 /nfs/dbraw/zinc/44/02/17/936440217.db2.gz CLWWTIAZACZZLY-AWEZNQCLSA-N 0 3 292.448 3.214 20 30 CGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCC=CCCC1 ZINC001342717623 936476484 /nfs/dbraw/zinc/47/64/84/936476484.db2.gz MSHCQCVGHVVBNX-HOCLYGCPSA-N 0 3 296.370 3.470 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCc1ccccc1 ZINC001344321880 936529353 /nfs/dbraw/zinc/52/93/53/936529353.db2.gz CTFPVPPGDGABPX-HNNXBMFYSA-N 0 3 281.359 3.102 20 30 CGEDHN C#C[C@@H](NCC1CC(OC)C1)c1ccc(Cl)cc1 ZINC001474556320 937866821 /nfs/dbraw/zinc/86/68/21/937866821.db2.gz IQXUQGSTVPSMLY-WDIPEOLASA-N 0 3 263.768 3.029 20 30 CGEDHN C[C@H](Cc1ccco1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346001252 936833731 /nfs/dbraw/zinc/83/37/31/936833731.db2.gz WWUIAYOAUFDWSE-SKDRFNHKSA-N 0 3 290.269 3.008 20 30 CGEDHN N#CC(C(=O)c1csc(Cl)c1)c1cccc(F)n1 ZINC001347173401 936872796 /nfs/dbraw/zinc/87/27/96/936872796.db2.gz ZIMQKQAPGHHQOO-QMMMGPOBSA-N 0 3 280.711 3.426 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001347813693 936897236 /nfs/dbraw/zinc/89/72/36/936897236.db2.gz MNQQRMONCJVPOT-AWEZNQCLSA-N 0 3 278.440 3.064 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCCCCC(C)=O ZINC001349701250 936958447 /nfs/dbraw/zinc/95/84/47/936958447.db2.gz BDELQHJWLNSPRF-AWEZNQCLSA-N 0 3 289.379 3.009 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H](NC/C=C/Cl)C2)CCCC1 ZINC001480123563 937038084 /nfs/dbraw/zinc/03/80/84/937038084.db2.gz LWOCPRWMCLUOHL-SEIPJRMCSA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCCC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC001353146470 937058684 /nfs/dbraw/zinc/05/86/84/937058684.db2.gz NCHYECOIBXXXQR-SJORKVTESA-N 0 3 299.418 3.221 20 30 CGEDHN C=C(C)CCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC001354899583 937115814 /nfs/dbraw/zinc/11/58/14/937115814.db2.gz ULKDHNBASIDVAH-AEFFLSMTSA-N 0 3 298.430 3.486 20 30 CGEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](C)CC ZINC001481670829 927050673 /nfs/dbraw/zinc/05/06/73/927050673.db2.gz KUFLKAQOOHUPNJ-XIRDDKMYSA-N 0 3 290.451 3.086 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H](C)CC ZINC001481679803 927056379 /nfs/dbraw/zinc/05/63/79/927056379.db2.gz MXIKUQKGOHJQJH-JYJNAYRXSA-N 0 3 278.440 3.064 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC001356566741 937161273 /nfs/dbraw/zinc/16/12/73/937161273.db2.gz DZZDIIWNXGDJLQ-AWEZNQCLSA-N 0 3 299.349 3.103 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(C)c1 ZINC001483342785 927486553 /nfs/dbraw/zinc/48/65/53/927486553.db2.gz OAECHFTZWIABGF-INIZCTEOSA-N 0 3 288.435 3.288 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1c(F)cccc1Cl ZINC001473431354 937199614 /nfs/dbraw/zinc/19/96/14/937199614.db2.gz BNUMENYQTZRZIP-UHFFFAOYSA-N 0 3 284.806 3.419 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848754 928073847 /nfs/dbraw/zinc/07/38/47/928073847.db2.gz KNXRDWWGVGFOPF-GJZGRUSLSA-N 0 3 298.496 3.017 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC[C@](C)(F)C1 ZINC001171208873 928202137 /nfs/dbraw/zinc/20/21/37/928202137.db2.gz GKZHCJNLAHZUMH-CJNGLKHVSA-N 0 3 260.356 3.313 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(C)CCC(C)CC1 ZINC001488698240 928293531 /nfs/dbraw/zinc/29/35/31/928293531.db2.gz ILTBDSLWIQTKJU-UPTPFMHGSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001492865599 937242772 /nfs/dbraw/zinc/24/27/72/937242772.db2.gz CMXRTJGNJKWECF-ZDUSSCGKSA-N 0 3 294.826 3.068 20 30 CGEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1(C)CC1 ZINC001490804635 928408642 /nfs/dbraw/zinc/40/86/42/928408642.db2.gz ULIPPKCRRJCAOH-IYBDPMFKSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)C(C)(C)C)C1 ZINC001423673707 937246877 /nfs/dbraw/zinc/24/68/77/937246877.db2.gz NRSXXCHDLWVBGZ-HIFPTAJRSA-N 0 3 286.847 3.000 20 30 CGEDHN C[C@H](NC1CC(Nc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000903086040 928768506 /nfs/dbraw/zinc/76/85/06/928768506.db2.gz AZNHNOGODLVIFC-IGEOTXOUSA-N 0 3 292.386 3.247 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)C#Cc2cccs2)c1 ZINC001446185536 937361863 /nfs/dbraw/zinc/36/18/63/937361863.db2.gz SFPCROMFGFVBNQ-UHFFFAOYSA-N 0 3 298.411 3.108 20 30 CGEDHN C=CCN(C)CCN(CC)c1nc2cccc(C)c2o1 ZINC001458453759 937463402 /nfs/dbraw/zinc/46/34/02/937463402.db2.gz CVXWYOYGQHUBGS-UHFFFAOYSA-N 0 3 273.380 3.080 20 30 CGEDHN C[C@@H](c1ccco1)N(C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459722250 937497572 /nfs/dbraw/zinc/49/75/72/937497572.db2.gz YEIDZWRMXKKQGH-SUMWQHHRSA-N 0 3 296.370 3.410 20 30 CGEDHN C#CCN(CCSc1ccc(F)cc1F)C(C)C ZINC001460819220 937546452 /nfs/dbraw/zinc/54/64/52/937546452.db2.gz UDRJXOLPNCHFJQ-UHFFFAOYSA-N 0 3 269.360 3.401 20 30 CGEDHN C#CCN(Cc1cccc(C(=O)OC(C)(C)C)c1)C(C)C ZINC001460817406 937546782 /nfs/dbraw/zinc/54/67/82/937546782.db2.gz OWTNAJOUZWYNDI-UHFFFAOYSA-N 0 3 287.403 3.486 20 30 CGEDHN CC(C)(C)c1cc(C#N)ccc1O[C@H]1CN2CCC1CC2 ZINC001228994647 932068295 /nfs/dbraw/zinc/06/82/95/932068295.db2.gz DWCUQMMXPJXDET-KRWDZBQOSA-N 0 3 284.403 3.329 20 30 CGEDHN N#Cc1cccc(OC2CCN(C3CC3)CC2)c1Cl ZINC001229067205 932085288 /nfs/dbraw/zinc/08/52/88/932085288.db2.gz LKLYNOKMPWZJJE-UHFFFAOYSA-N 0 3 276.767 3.217 20 30 CGEDHN C[C@H](C[NH+](C)C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229933043 932505140 /nfs/dbraw/zinc/50/51/40/932505140.db2.gz MCIIFBHVWDZAHW-ONDHQXCVSA-N 0 3 298.386 3.472 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001316604811 932746649 /nfs/dbraw/zinc/74/66/49/932746649.db2.gz UYYOBGMNWBIZRL-OAHLLOKOSA-N 0 3 278.440 3.088 20 30 CGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001491933990 932798687 /nfs/dbraw/zinc/79/86/87/932798687.db2.gz GWNDFFVGIHXWOY-RDJZCZTQSA-N 0 3 292.467 3.005 20 30 CGEDHN C[C@]1(CNCc2cccc(F)c2C#N)C[C@H]2C[C@H]2C1 ZINC001462488859 937644818 /nfs/dbraw/zinc/64/48/18/937644818.db2.gz VPJIDZAWGAPMEQ-VIKVFOODSA-N 0 3 258.340 3.223 20 30 CGEDHN CO[C@]1(C)C[C@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001307778318 932999806 /nfs/dbraw/zinc/99/98/06/932999806.db2.gz JFBWINZLPKQLOZ-DOTOQJQBSA-N 0 3 291.822 3.485 20 30 CGEDHN Cc1ccc(CN2CCN(C)C[C@@H]2CC(C)C)cc1C#N ZINC001308099245 933048696 /nfs/dbraw/zinc/04/86/96/933048696.db2.gz DMZDHWKQUVBXDV-SFHVURJKSA-N 0 3 285.435 3.029 20 30 CGEDHN C=CC[C@@H](NCc1cccc2nccn21)c1ccncc1 ZINC001308272471 933086582 /nfs/dbraw/zinc/08/65/82/933086582.db2.gz ASOPQKJQRGMYJZ-MRXNPFEDSA-N 0 3 278.359 3.136 20 30 CGEDHN COc1ccc(CNCc2cccn2C(F)F)cc1C#N ZINC001308920136 933204851 /nfs/dbraw/zinc/20/48/51/933204851.db2.gz VDNSLZBSWBLZLH-UHFFFAOYSA-N 0 3 291.301 3.053 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001317174656 933547504 /nfs/dbraw/zinc/54/75/04/933547504.db2.gz VYXRZVXHOHWBBQ-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(CCNC(=O)c1c(C)cccc1C)C1CC1 ZINC001317558529 933619745 /nfs/dbraw/zinc/61/97/45/933619745.db2.gz JWKOSTKYQNGQGY-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CCC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001317870177 933661429 /nfs/dbraw/zinc/66/14/29/933661429.db2.gz OLMXCGYBULSSEL-WTKPLQERSA-N 0 3 298.858 3.266 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001318201101 933693884 /nfs/dbraw/zinc/69/38/84/933693884.db2.gz FSBHBKRJTSAVBB-HOTGVXAUSA-N 0 3 278.440 3.208 20 30 CGEDHN C=C[C@@H](COC)NCc1cccc(-c2ccccn2)c1 ZINC001320299613 934026795 /nfs/dbraw/zinc/02/67/95/934026795.db2.gz SYSJFGOOAZJJEK-INIZCTEOSA-N 0 3 268.360 3.039 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(SC)cc1 ZINC001320427775 934047890 /nfs/dbraw/zinc/04/78/90/934047890.db2.gz JWOZJZDWJYYKKT-DGCLKSJQSA-N 0 3 251.395 3.260 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@H](OC)C1 ZINC001321769201 934210959 /nfs/dbraw/zinc/21/09/59/934210959.db2.gz DOGRIPMBBPBLEK-STQMWFEESA-N 0 3 293.794 3.009 20 30 CGEDHN C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(=C)C ZINC001323774120 934424193 /nfs/dbraw/zinc/42/41/93/934424193.db2.gz MUGVIVQXYYWMDQ-CALCHBBNSA-N 0 3 290.451 3.374 20 30 CGEDHN Cc1cc(F)c(C#N)c(NC[C@H]2CCN2C(C)(C)C)c1 ZINC001472829950 937785792 /nfs/dbraw/zinc/78/57/92/937785792.db2.gz GUBGSZQUINUHLB-GFCCVEGCSA-N 0 3 275.371 3.291 20 30 CGEDHN CC[C@H](C)[C@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC001473641186 937815586 /nfs/dbraw/zinc/81/55/86/937815586.db2.gz OAWWQBPIMUIJSF-STQMWFEESA-N 0 3 277.437 3.176 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C)c2ccccc12 ZINC001329560125 935228135 /nfs/dbraw/zinc/22/81/35/935228135.db2.gz MWIQNZZYAOCQOI-HNNXBMFYSA-N 0 3 296.414 3.384 20 30 CGEDHN C#C[C@H](NCc1ccc(-c2cnn(C)c2)cc1)C(C)(C)C ZINC001329849476 935249497 /nfs/dbraw/zinc/24/94/97/935249497.db2.gz LURMAUUJLFCPFZ-KRWDZBQOSA-N 0 3 281.403 3.225 20 30 CGEDHN N#CC1(CN2CCCC[C@@H]2CC2(O)CCCCC2)CC1 ZINC001331705138 935404189 /nfs/dbraw/zinc/40/41/89/935404189.db2.gz DQBFQFROYJUSTG-OAHLLOKOSA-N 0 3 276.424 3.230 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001332523400 935475061 /nfs/dbraw/zinc/47/50/61/935475061.db2.gz QAAPOXYANLWTRG-LSDHHAIUSA-N 0 3 299.374 3.479 20 30 CGEDHN C=CCN(C)CCN(C(=O)C[C@@H](C)c1ccco1)C(C)C ZINC001332736075 935486541 /nfs/dbraw/zinc/48/65/41/935486541.db2.gz VLFZLNXGKRWZIH-OAHLLOKOSA-N 0 3 292.423 3.128 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@](C)(CC)CCC)CC1 ZINC001333419308 935534298 /nfs/dbraw/zinc/53/42/98/935534298.db2.gz GKKXOODASMDNES-KRWDZBQOSA-N 0 3 278.440 3.137 20 30 CGEDHN C#C[C@@H](CCC)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC001335434438 936145599 /nfs/dbraw/zinc/14/55/99/936145599.db2.gz YBVLAJHOYQZRMI-SMDDNHRTSA-N 0 3 285.309 3.130 20 30 CGEDHN C=C(CNCc1cncn1CCC)c1ccccc1 ZINC001473982428 937833920 /nfs/dbraw/zinc/83/39/20/937833920.db2.gz MYIBSOSQVAQBOR-UHFFFAOYSA-N 0 3 255.365 3.096 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)CCC)C1 ZINC001479312858 937919084 /nfs/dbraw/zinc/91/90/84/937919084.db2.gz BWEUVPXYAUOIQD-BETUJISGSA-N 0 3 286.847 3.050 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001479904639 937929237 /nfs/dbraw/zinc/92/92/37/937929237.db2.gz SYPURAVQGLWQKQ-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CCCC)CC1 ZINC001494668967 937955710 /nfs/dbraw/zinc/95/57/10/937955710.db2.gz VNHAPBCJSRZCBN-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001496384676 937962373 /nfs/dbraw/zinc/96/23/73/937962373.db2.gz AHLCFLFLSFAPTL-BMOGTNHUSA-N 0 3 298.858 3.456 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccccc1C)C(C)C ZINC001496517874 937962714 /nfs/dbraw/zinc/96/27/14/937962714.db2.gz DWZCVRUHSBTUHE-OAHLLOKOSA-N 0 3 294.826 3.092 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001499071835 937972573 /nfs/dbraw/zinc/97/25/73/937972573.db2.gz KVYNMJNTDQPGEF-HOTGVXAUSA-N 0 3 292.467 3.338 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)C1(CC=C)CCCC1 ZINC001499138640 937972696 /nfs/dbraw/zinc/97/26/96/937972696.db2.gz RLNLAEFGWPLXDP-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](CC)CCC)CCC[C@H]12 ZINC001507353144 937995233 /nfs/dbraw/zinc/99/52/33/937995233.db2.gz SZGAVNKYAQZFGD-YQQAZPJKSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccc(C)cc1C)C(C)C ZINC001507863794 937997140 /nfs/dbraw/zinc/99/71/40/937997140.db2.gz MHAYLXVFXFYBPF-UHFFFAOYSA-N 0 3 288.435 3.272 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)[C@@H](C)C(C)C)c(F)c1 ZINC001508242977 937998668 /nfs/dbraw/zinc/99/86/68/937998668.db2.gz QOYSTXGOPATNKK-ZDUSSCGKSA-N 0 3 292.398 3.010 20 30 CGEDHN C=C(C)CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001519538350 938019623 /nfs/dbraw/zinc/01/96/23/938019623.db2.gz RNBIWXSLYMUQBM-XHDPSFHLSA-N 0 3 295.310 3.432 20 30 CGEDHN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001520447909 938025838 /nfs/dbraw/zinc/02/58/38/938025838.db2.gz DBOHYGPAQGMDMK-YUSALJHKSA-N 0 3 278.302 3.362 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001529585209 938073699 /nfs/dbraw/zinc/07/36/99/938073699.db2.gz MUZUBGZSRDKRDH-AQFXKWCLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(CC(C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001542420299 938136081 /nfs/dbraw/zinc/13/60/81/938136081.db2.gz ZPZYOOZVRTZGQW-QGZVFWFLSA-N 0 3 288.435 3.316 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(\C)c1ccccc1 ZINC001556466092 938203883 /nfs/dbraw/zinc/20/38/83/938203883.db2.gz IUPGAUOZZYCNIW-FOCLMDBBSA-N 0 3 286.419 3.056 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@](C)(CC)CCC ZINC001556466565 938203934 /nfs/dbraw/zinc/20/39/34/938203934.db2.gz DQZFTDPZKITNQA-MRXNPFEDSA-N 0 3 268.445 3.169 20 30 CGEDHN C=CCC[C@@H](NCC(=O)Nc1ccccn1)c1ccccc1 ZINC001559696416 938233219 /nfs/dbraw/zinc/23/32/19/938233219.db2.gz XBVMMYVPKNDYLF-MRXNPFEDSA-N 0 3 295.386 3.317 20 30 CGEDHN C#C[C@H](C)N(C)CCOc1cc(Cl)cc(Cl)c1 ZINC001559797328 938236168 /nfs/dbraw/zinc/23/61/68/938236168.db2.gz NCIGWLAYMWLZIQ-JTQLQIEISA-N 0 3 272.175 3.326 20 30 CGEDHN CC#CC[C@H](CO)NCc1cccc(Oc2ccccc2)c1 ZINC001560519424 938261174 /nfs/dbraw/zinc/26/11/74/938261174.db2.gz BYHBFDYFJSSUKO-QGZVFWFLSA-N 0 3 295.382 3.343 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](NCC#Cc2ccccc2)C1(C)C ZINC001560737105 938273096 /nfs/dbraw/zinc/27/30/96/938273096.db2.gz SFLGZFUIWGVWML-SJORKVTESA-N 0 3 271.404 3.220 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001565822328 960830971 /nfs/dbraw/zinc/83/09/71/960830971.db2.gz CZSQIYXXCHNNSO-HNNXBMFYSA-N 0 3 298.446 3.261 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001566756363 961001541 /nfs/dbraw/zinc/00/15/41/961001541.db2.gz MXBKSFLKFLWKBE-KFWWJZLASA-N 0 3 278.440 3.062 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCCN1C/C=C\c1ccccc1 ZINC001567367118 961301936 /nfs/dbraw/zinc/30/19/36/961301936.db2.gz VLKKQTMAKKDZDY-RLGIIYIFSA-N 0 3 298.430 3.247 20 30 CGEDHN CC#CCNCCN(C)C(=O)C1CCC(CCCC)CC1 ZINC001567600443 961370954 /nfs/dbraw/zinc/37/09/54/961370954.db2.gz JINATMCKUZVMEH-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)CC1(C)CC1)c1ccccc1 ZINC001567661243 961377179 /nfs/dbraw/zinc/37/71/79/961377179.db2.gz SXDMVOHBAZRDJB-MRXNPFEDSA-N 0 3 286.419 3.200 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)CC(C)C)c1ccccc1 ZINC001567654120 961377438 /nfs/dbraw/zinc/37/74/38/961377438.db2.gz KQFMNNXLRNSZBM-INIZCTEOSA-N 0 3 274.408 3.056 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001567922716 961464299 /nfs/dbraw/zinc/46/42/99/961464299.db2.gz XZHAGEQVMSOODZ-CABCVRRESA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001568502645 961597730 /nfs/dbraw/zinc/59/77/30/961597730.db2.gz MSXIWSRQYIBHJL-WKILWMFISA-N 0 3 280.456 3.169 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1c(F)cccc1Cl ZINC001568551540 961614394 /nfs/dbraw/zinc/61/43/94/961614394.db2.gz IRUBKEKFWMQYRO-UHFFFAOYSA-N 0 3 298.789 3.059 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001569122273 961703586 /nfs/dbraw/zinc/70/35/86/961703586.db2.gz ZEFHWBGRONNCAX-DJIMGWMZSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C ZINC001569234276 961723241 /nfs/dbraw/zinc/72/32/41/961723241.db2.gz LEZHHFXVOVQQEB-GXTWGEPZSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C(CC)CC ZINC001569444792 961768814 /nfs/dbraw/zinc/76/88/14/961768814.db2.gz LETRRXCJBVVIHX-SJORKVTESA-N 0 3 290.451 3.374 20 30 CGEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](CC)CCCC)CC1 ZINC001569697482 961835935 /nfs/dbraw/zinc/83/59/35/961835935.db2.gz GVGHZVLLSNHJPP-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1ccoc1)c1ccccc1CC ZINC001569800005 961839627 /nfs/dbraw/zinc/83/96/27/961839627.db2.gz LNEAYFDPNODRAK-QGZVFWFLSA-N 0 3 298.386 3.089 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)C2CCC2)cc1 ZINC001570031265 961884353 /nfs/dbraw/zinc/88/43/53/961884353.db2.gz KPXDCUNIJSWMQR-CABCVRRESA-N 0 3 298.430 3.023 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001570022485 961887177 /nfs/dbraw/zinc/88/71/77/961887177.db2.gz VKZCWKNXSAVUOG-TZMCWYRMSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001570750414 962067732 /nfs/dbraw/zinc/06/77/32/962067732.db2.gz RPICNXOTFGHVRA-WBVHZDCISA-N 0 3 288.435 3.193 20 30 CGEDHN CC(C)CN(C(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC001575586385 962401296 /nfs/dbraw/zinc/40/12/96/962401296.db2.gz ISDKFOWQXWNVPJ-MRXNPFEDSA-N 0 3 287.407 3.087 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1(C)CCC1 ZINC001588649325 963296731 /nfs/dbraw/zinc/29/67/31/963296731.db2.gz ZCERHFJPBHXRGC-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1(C)CCC1 ZINC001588649325 963296739 /nfs/dbraw/zinc/29/67/39/963296739.db2.gz ZCERHFJPBHXRGC-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1(C)CCC1 ZINC001588649325 963296752 /nfs/dbraw/zinc/29/67/52/963296752.db2.gz ZCERHFJPBHXRGC-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1(C)CCC1 ZINC001588649325 963296761 /nfs/dbraw/zinc/29/67/61/963296761.db2.gz ZCERHFJPBHXRGC-UHFFFAOYSA-N 0 3 297.406 3.045 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCS[C@H](c3ccccc3)C2)C1 ZINC000590161671 346833263 /nfs/dbraw/zinc/83/32/63/346833263.db2.gz GJLRNDFWTMLZMN-BMFZPTHFSA-N 0 3 272.417 3.469 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](CO)c2ccccc2OC)C1 ZINC000651713714 398273752 /nfs/dbraw/zinc/27/37/52/398273752.db2.gz APZHKDLASDBAID-IIAWOOMASA-N 0 3 275.392 3.063 20 30 CGEDHN CC(C)n1cc(C2=CCCN([C@H]3CC[C@@H](C#N)C3)CC2)nn1 ZINC000590659210 346860599 /nfs/dbraw/zinc/86/05/99/346860599.db2.gz YHZZZIQENIGTAN-ZBFHGGJFSA-N 0 3 299.422 3.030 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2ncnn2-c2ccccc2)C1 ZINC000651787703 398288457 /nfs/dbraw/zinc/28/84/57/398288457.db2.gz CCYMAZBRVNJOIC-LSDHHAIUSA-N 0 3 282.391 3.102 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)cc1Cl ZINC000651823054 398294304 /nfs/dbraw/zinc/29/43/04/398294304.db2.gz UJDDFDUWOVLSCC-CABCVRRESA-N 0 3 265.784 3.472 20 30 CGEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000590779113 346875201 /nfs/dbraw/zinc/87/52/01/346875201.db2.gz WTMSLKHMFBUPHR-SFHVURJKSA-N 0 3 277.371 3.429 20 30 CGEDHN CC[C@@H](C)N1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000590761904 346872619 /nfs/dbraw/zinc/87/26/19/346872619.db2.gz MZLLDDRNQHHJDJ-MRXNPFEDSA-N 0 3 299.462 3.404 20 30 CGEDHN CCc1ccc([C@@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000336603790 529712995 /nfs/dbraw/zinc/71/29/95/529712995.db2.gz PYJKAFYACCPOOX-CZUORRHYSA-N 0 3 270.376 3.115 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccsc1C(F)(F)F ZINC000623483914 349817674 /nfs/dbraw/zinc/81/76/74/349817674.db2.gz XBKASZFAJTUVJO-SECBINFHSA-N 0 3 279.327 3.041 20 30 CGEDHN CC[C@H](COCC(F)(F)F)NCc1cccc(C#N)c1 ZINC000295041630 199315402 /nfs/dbraw/zinc/31/54/02/199315402.db2.gz DYBDOLPFBDDCFF-CYBMUJFWSA-N 0 3 286.297 3.005 20 30 CGEDHN CN(CC#Cc1ccccc1)CCCN(C)Cc1ccco1 ZINC000353579861 529822786 /nfs/dbraw/zinc/82/27/86/529822786.db2.gz XOXDYHHOANXCSV-UHFFFAOYSA-N 0 3 296.414 3.085 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000592071161 346960048 /nfs/dbraw/zinc/96/00/48/346960048.db2.gz DLCOHHSAYGCEHK-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccncc1C#N ZINC000592072882 346960731 /nfs/dbraw/zinc/96/07/31/346960731.db2.gz QGKLLVPVGAJSHX-DVOMOZLQSA-N 0 3 255.365 3.106 20 30 CGEDHN N#CCSCCCNC1(c2ccccc2F)CCC1 ZINC000592144569 346966835 /nfs/dbraw/zinc/96/68/35/346966835.db2.gz NXVPAASEVLYDQW-UHFFFAOYSA-N 0 3 278.396 3.441 20 30 CGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC(C)(C)C ZINC000592144285 346967074 /nfs/dbraw/zinc/96/70/74/346967074.db2.gz HKQXGMMEHPYOFD-AWEZNQCLSA-N 0 3 293.455 3.086 20 30 CGEDHN CC(C)(C#N)CCCCN1CCOC[C@H]1C1CCC1 ZINC000592153505 346967635 /nfs/dbraw/zinc/96/76/35/346967635.db2.gz BKERSPGFLMCIGN-HNNXBMFYSA-N 0 3 264.413 3.207 20 30 CGEDHN CC(C)[C@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000592103790 346963755 /nfs/dbraw/zinc/96/37/55/346963755.db2.gz LDWUNTBUZIMKID-HZPDHXFCSA-N 0 3 257.381 3.258 20 30 CGEDHN CC(=O)Nc1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000592136080 346966201 /nfs/dbraw/zinc/96/62/01/346966201.db2.gz DYUFEEQYXJWBAO-UHFFFAOYSA-N 0 3 285.391 3.161 20 30 CGEDHN COc1ccccc1C1(N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000592393318 346982134 /nfs/dbraw/zinc/98/21/34/346982134.db2.gz GFZFPAODBMKBTH-KBPBESRZSA-N 0 3 270.376 3.356 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC12CCCC2 ZINC000593040097 347030786 /nfs/dbraw/zinc/03/07/86/347030786.db2.gz YMYZYEKUCKPKJK-UHFFFAOYSA-N 0 3 256.349 3.085 20 30 CGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCOC1 ZINC000356113665 529983991 /nfs/dbraw/zinc/98/39/91/529983991.db2.gz QXTJAFSISXNRDY-GFCCVEGCSA-N 0 3 298.308 3.045 20 30 CGEDHN C=CCN(CC=C)CCCC(=O)c1ccc(F)cc1 ZINC000002001287 344857457 /nfs/dbraw/zinc/85/74/57/344857457.db2.gz SUMLUORDKGEKNC-UHFFFAOYSA-N 0 3 261.340 3.463 20 30 CGEDHN CN(CCCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000052927857 345111096 /nfs/dbraw/zinc/11/10/96/345111096.db2.gz SAODWJONLMUIRR-UHFFFAOYSA-N 0 3 256.271 3.441 20 30 CGEDHN C=CCNC(=O)CN[C@H](CCC)c1cc(C)sc1C ZINC000623945838 349924227 /nfs/dbraw/zinc/92/42/27/349924227.db2.gz DZEOFJOGXVPLEV-CQSZACIVSA-N 0 3 280.437 3.098 20 30 CGEDHN COc1ccc2c(c1)CCCN(CCCSCC#N)C2 ZINC000074990250 345490049 /nfs/dbraw/zinc/49/00/49/345490049.db2.gz RDFNQQBULRNCFV-UHFFFAOYSA-N 0 3 290.432 3.090 20 30 CGEDHN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)C(C)C ZINC000075673597 345518384 /nfs/dbraw/zinc/51/83/84/345518384.db2.gz OVNBOHTYQDXKCZ-ZDUSSCGKSA-N 0 3 298.390 3.475 20 30 CGEDHN C[C@@H](NCc1ccc([S@](C)=O)cc1)c1cccc(C#N)c1 ZINC000085330979 345745700 /nfs/dbraw/zinc/74/57/00/345745700.db2.gz HUTDZNJEUJTNDX-LRTDBIEQSA-N 0 3 298.411 3.146 20 30 CGEDHN CC(C)N1CCC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000092626543 345848080 /nfs/dbraw/zinc/84/80/80/345848080.db2.gz SLGKBMZIOROPCQ-SNVBAGLBSA-N 0 3 298.843 3.200 20 30 CGEDHN C[C@H](N[C@H]1CCc2cc(N)ccc21)c1ccc(C#N)cc1 ZINC000094078972 345894443 /nfs/dbraw/zinc/89/44/43/345894443.db2.gz KUXGIAFNQRPYQS-SGTLLEGYSA-N 0 3 277.371 3.479 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@H](CC)C(C)C)CC1 ZINC000106034974 345930053 /nfs/dbraw/zinc/93/00/53/345930053.db2.gz YILKVIPHIICGCC-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000281491335 346418428 /nfs/dbraw/zinc/41/84/28/346418428.db2.gz GIAUMGXVVKABPO-AWEZNQCLSA-N 0 3 287.432 3.442 20 30 CGEDHN COc1ccc2c(c1)C1(CC1)CN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000293542521 346431581 /nfs/dbraw/zinc/43/15/81/346431581.db2.gz KJUWFSRHWROQKC-HIFRSBDPSA-N 0 3 282.387 3.235 20 30 CGEDHN CCOC(=O)[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)C[C@@H]1C ZINC000593653392 347100161 /nfs/dbraw/zinc/10/01/61/347100161.db2.gz JGFAESVVMZIBRI-RRFJBIMHSA-N 0 3 292.423 3.028 20 30 CGEDHN COc1cccc2c1CC[C@H](NCC1(C#N)CCCC1)C2 ZINC000593654475 347101351 /nfs/dbraw/zinc/10/13/51/347101351.db2.gz CRLDTSFRKBTHOJ-HNNXBMFYSA-N 0 3 284.403 3.226 20 30 CGEDHN C[C@H]1CN(Cc2ccnc(C#N)c2)CCc2ccccc21 ZINC000404723211 346600806 /nfs/dbraw/zinc/60/08/06/346600806.db2.gz WDDMUBOVQKVQEZ-AWEZNQCLSA-N 0 3 277.371 3.115 20 30 CGEDHN C=CCCCNCc1cnc(-c2ccccc2)nc1 ZINC000584760086 346712188 /nfs/dbraw/zinc/71/21/88/346712188.db2.gz AXMOGZDVEHNARZ-UHFFFAOYSA-N 0 3 253.349 3.199 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000586794542 346736671 /nfs/dbraw/zinc/73/66/71/346736671.db2.gz JPQJDLJHJREYMJ-HZPDHXFCSA-N 0 3 270.376 3.423 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594021928 347137993 /nfs/dbraw/zinc/13/79/93/347137993.db2.gz ZVUQKKMZVRZGBB-SFHVURJKSA-N 0 3 284.403 3.286 20 30 CGEDHN N#Cc1ccc(C2(NCc3ccc(CO)cc3)CCC2)cc1 ZINC000594033720 347140843 /nfs/dbraw/zinc/14/08/43/347140843.db2.gz ZRHMPHBOWFKBQN-UHFFFAOYSA-N 0 3 292.382 3.220 20 30 CGEDHN CN(Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC[C@@H](C#N)C1 ZINC000594035710 347141762 /nfs/dbraw/zinc/14/17/62/347141762.db2.gz SZSRAULEPLZBAI-ZYHUDNBSSA-N 0 3 294.301 3.132 20 30 CGEDHN CC(C)N1CCCC[C@H]1CSc1cccnc1C#N ZINC000594450972 347175595 /nfs/dbraw/zinc/17/55/95/347175595.db2.gz AJJIOCXHZPNPIO-ZDUSSCGKSA-N 0 3 275.421 3.308 20 30 CGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000594463652 347177162 /nfs/dbraw/zinc/17/71/62/347177162.db2.gz JHSFIEBHRZFPKL-LBPRGKRZSA-N 0 3 299.296 3.055 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000594517637 347187338 /nfs/dbraw/zinc/18/73/38/347187338.db2.gz LLNFEJKOGUMMTB-HDJSIYSDSA-N 0 3 276.355 3.133 20 30 CGEDHN CC[C@H](Cc1ccc(F)cc1)NCc1ccc(C#N)o1 ZINC000594950903 347238282 /nfs/dbraw/zinc/23/82/82/347238282.db2.gz KNECZEZZVIQUJE-CQSZACIVSA-N 0 3 272.323 3.401 20 30 CGEDHN C=CCCC1(CNC(=O)[C@H](N)CCCCC#N)CCCC1 ZINC000595256510 347285666 /nfs/dbraw/zinc/28/56/66/347285666.db2.gz MPXSJIUEXYXABD-OAHLLOKOSA-N 0 3 291.439 3.040 20 30 CGEDHN CC(C)N(CCc1ccc(C#N)cc1)Cc1ccccn1 ZINC000595293451 347287216 /nfs/dbraw/zinc/28/72/16/347287216.db2.gz NZVQUKGNJHDRRU-UHFFFAOYSA-N 0 3 279.387 3.406 20 30 CGEDHN C[C@H](NC[C@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055068 347270938 /nfs/dbraw/zinc/27/09/38/347270938.db2.gz ZXOUOOJMRHQSBE-GXTWGEPZSA-N 0 3 289.398 3.221 20 30 CGEDHN COCc1csc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000595079365 347278763 /nfs/dbraw/zinc/27/87/63/347278763.db2.gz WZCHSBWQDNQVHT-AAEUAGOBSA-N 0 3 264.394 3.066 20 30 CGEDHN COC(=O)CC(C)(C)C[C@H](C)NCC1(C#N)CCCCC1 ZINC000595092256 347281077 /nfs/dbraw/zinc/28/10/77/347281077.db2.gz WLGQHFJDASVKGO-AWEZNQCLSA-N 0 3 294.439 3.418 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccoc1C(=O)OC ZINC000595602454 347324779 /nfs/dbraw/zinc/32/47/79/347324779.db2.gz IVXJYYMPWFTEAZ-TZMCWYRMSA-N 0 3 277.364 3.291 20 30 CGEDHN COc1cccc(SCCN2CCC[C@H](CC#N)C2)c1 ZINC000595614506 347327212 /nfs/dbraw/zinc/32/72/12/347327212.db2.gz DBWRGCHKAFJIED-CQSZACIVSA-N 0 3 290.432 3.413 20 30 CGEDHN COc1cccc(CCCN2CCC[C@@H](CC#N)C2)c1 ZINC000595615369 347327707 /nfs/dbraw/zinc/32/77/07/347327707.db2.gz QEMOJHFSNAOHEC-INIZCTEOSA-N 0 3 272.392 3.253 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC(c2ccco2)CC1 ZINC000595618650 347328423 /nfs/dbraw/zinc/32/84/23/347328423.db2.gz RXOAZKKPKXQDLT-UHFFFAOYSA-N 0 3 296.370 3.410 20 30 CGEDHN C=CCN(CCC1(C#N)CCCCC1)[C@H](C)COC ZINC000595640014 347331906 /nfs/dbraw/zinc/33/19/06/347331906.db2.gz YXISXONGKOREMJ-OAHLLOKOSA-N 0 3 264.413 3.373 20 30 CGEDHN N#CCC[C@H](C#N)CN1CCCC2(CCCC2)CC1 ZINC000595643864 347332305 /nfs/dbraw/zinc/33/23/05/347332305.db2.gz ZXPRHUFPDFLHNV-OAHLLOKOSA-N 0 3 259.397 3.476 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)s1 ZINC000595788020 347356236 /nfs/dbraw/zinc/35/62/36/347356236.db2.gz MBRAWZGICRRTRZ-CZUORRHYSA-N 0 3 290.432 3.401 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)OC)s1 ZINC000595844907 347367312 /nfs/dbraw/zinc/36/73/12/347367312.db2.gz HKVZQANBUQPRKJ-TXEJJXNPSA-N 0 3 277.389 3.218 20 30 CGEDHN C=C(CC)CN1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595918657 347372651 /nfs/dbraw/zinc/37/26/51/347372651.db2.gz KBENQVWQDWDNKA-GFCCVEGCSA-N 0 3 294.420 3.075 20 30 CGEDHN CC1(C)C[C@@]1(CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000596050751 347377161 /nfs/dbraw/zinc/37/71/61/347377161.db2.gz OGTSOCJVJRCDKS-MAUKXSAKSA-N 0 3 281.403 3.387 20 30 CGEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084900 347534526 /nfs/dbraw/zinc/53/45/26/347534526.db2.gz QQDJKEYTJSNEQL-GOSISDBHSA-N 0 3 297.446 3.014 20 30 CGEDHN CO[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1C ZINC000597110712 347535606 /nfs/dbraw/zinc/53/56/06/347535606.db2.gz KIYUHUVBXLOLDD-WMLDXEAASA-N 0 3 284.403 3.099 20 30 CGEDHN C=CCC[C@H](C)NCc1ccc(C(=O)OC)cc1F ZINC000597221821 347556914 /nfs/dbraw/zinc/55/69/14/347556914.db2.gz KWNHNHXWCJZRPZ-NSHDSACASA-N 0 3 265.328 3.057 20 30 CGEDHN C[C@H](CCc1ccccc1)CN1CC[C@@](C)(C#N)C1 ZINC000597232038 347559770 /nfs/dbraw/zinc/55/97/70/347559770.db2.gz RCCPQUAVGLPXHT-WBVHZDCISA-N 0 3 256.393 3.491 20 30 CGEDHN CN(C)c1c(F)c(F)ccc1CNCC(C)(C)CC#N ZINC000598981089 347703213 /nfs/dbraw/zinc/70/32/13/347703213.db2.gz KAVIOVBKYPWJCJ-UHFFFAOYSA-N 0 3 281.350 3.060 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000599009372 347706089 /nfs/dbraw/zinc/70/60/89/347706089.db2.gz KHZFLLWGUFFJQQ-SJORKVTESA-N 0 3 284.403 3.145 20 30 CGEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1Cl ZINC000598596314 347669106 /nfs/dbraw/zinc/66/91/06/347669106.db2.gz ZYTIJMPCVNIGAV-NWDGAFQWSA-N 0 3 280.799 3.291 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2ccc(Cl)cc2)CC1 ZINC000598602264 347670052 /nfs/dbraw/zinc/67/00/52/347670052.db2.gz MPVQCQSAZHIGEM-CQSZACIVSA-N 0 3 292.810 3.219 20 30 CGEDHN CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598622214 347672222 /nfs/dbraw/zinc/67/22/22/347672222.db2.gz GHCVIGQECLPZAV-SWLSCSKDSA-N 0 3 278.371 3.167 20 30 CGEDHN CC(C)[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598627449 347673038 /nfs/dbraw/zinc/67/30/38/347673038.db2.gz UFHAZSWTJDNEFI-CZUORRHYSA-N 0 3 292.398 3.413 20 30 CGEDHN CC(C)OC1CC(N2CCc3c(CC#N)cccc3C2)C1 ZINC000599677723 347764443 /nfs/dbraw/zinc/76/44/43/347764443.db2.gz KMIYABAMFHWWND-UHFFFAOYSA-N 0 3 284.403 3.067 20 30 CGEDHN Cc1ccc(CN2CCC[C@]3(CCCOC3)C2)cc1C#N ZINC000599307854 347734696 /nfs/dbraw/zinc/73/46/96/347734696.db2.gz NJSZOCFIXMNCGF-SFHVURJKSA-N 0 3 284.403 3.259 20 30 CGEDHN CCO[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599434221 347744561 /nfs/dbraw/zinc/74/45/61/347744561.db2.gz VDZQIVSQLBQSPH-RHSMWYFYSA-N 0 3 272.392 3.114 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599530020 347751396 /nfs/dbraw/zinc/75/13/96/347751396.db2.gz SEVJQLDQDVIASF-GFCCVEGCSA-N 0 3 276.336 3.001 20 30 CGEDHN N#Cc1csc(CN2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000600214008 347794130 /nfs/dbraw/zinc/79/41/30/347794130.db2.gz KBDLXHXZCPYWHY-AWEZNQCLSA-N 0 3 284.384 3.315 20 30 CGEDHN CCc1ccc(C2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000600681380 347828037 /nfs/dbraw/zinc/82/80/37/347828037.db2.gz HIAKWSXRHOJYAU-ZDUSSCGKSA-N 0 3 270.376 3.115 20 30 CGEDHN C=CC(C)(C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000600169002 347788347 /nfs/dbraw/zinc/78/83/47/347788347.db2.gz CQJNLONOMGSGMO-INIZCTEOSA-N 0 3 284.403 3.477 20 30 CGEDHN C[NH2+]CC1(c2ccc(-c3ccc([O-])c(C#N)c3)cc2)CC1 ZINC000600780645 347834358 /nfs/dbraw/zinc/83/43/58/347834358.db2.gz SVIMHDKXRSXDGB-UHFFFAOYSA-N 0 3 278.355 3.182 20 30 CGEDHN N#CCCC[C@H](NCc1ccc(=O)[nH]c1)c1ccccc1 ZINC000601124770 347872242 /nfs/dbraw/zinc/87/22/42/347872242.db2.gz SMPWUHPZVHAPHE-INIZCTEOSA-N 0 3 281.359 3.312 20 30 CGEDHN Cc1scc(CNCc2cnc3ccc(C#N)cn23)c1C ZINC000601144391 347875112 /nfs/dbraw/zinc/87/51/12/347875112.db2.gz SZZKMHBIQNJGLD-UHFFFAOYSA-N 0 3 296.399 3.174 20 30 CGEDHN CC[C@H](NCCCC#N)c1cccc(OC)c1OC ZINC000601277512 347888333 /nfs/dbraw/zinc/88/83/33/347888333.db2.gz WSTSBWQZOWKVKK-ZDUSSCGKSA-N 0 3 262.353 3.048 20 30 CGEDHN CC(C)(C)C1CCC(N2CCN(CCC#N)CC2)CC1 ZINC000601315257 347891050 /nfs/dbraw/zinc/89/10/50/347891050.db2.gz WKDSIFQJTLRVNN-UHFFFAOYSA-N 0 3 277.456 3.123 20 30 CGEDHN C[C@@H]1C[C@@H](CCNCc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000602015454 347933310 /nfs/dbraw/zinc/93/33/10/347933310.db2.gz FCVOHWSPGQEJQJ-BTTYYORXSA-N 0 3 290.382 3.381 20 30 CGEDHN C[C@H](NCc1cccc(C#N)n1)C(C)(C)c1ccccc1 ZINC000602528980 347976607 /nfs/dbraw/zinc/97/66/07/347976607.db2.gz DJHCIWKQEDCTBF-AWEZNQCLSA-N 0 3 279.387 3.409 20 30 CGEDHN CCCOc1ncccc1CNC1CCC(C#N)CC1 ZINC000602533301 347976753 /nfs/dbraw/zinc/97/67/53/347976753.db2.gz WGSWUIHIOYGDEH-UHFFFAOYSA-N 0 3 273.380 3.042 20 30 CGEDHN CC[C@@H](C)[C@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602475487 347965243 /nfs/dbraw/zinc/96/52/43/347965243.db2.gz BVEVMGNYRNRXDO-CZUORRHYSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)[C@H](CNCc1cccc(C#N)n1)Nc1ccccc1 ZINC000602510456 347972616 /nfs/dbraw/zinc/97/26/16/347972616.db2.gz IZQLSQFAFYIANJ-SFHVURJKSA-N 0 3 294.402 3.180 20 30 CGEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(C)c1 ZINC000602521433 347974833 /nfs/dbraw/zinc/97/48/33/347974833.db2.gz QPBSYRRMLWXPSW-INIZCTEOSA-N 0 3 286.419 3.492 20 30 CGEDHN C[C@H](CCC#N)CNCc1ccccc1Br ZINC000602524665 347975737 /nfs/dbraw/zinc/97/57/37/347975737.db2.gz OPHBDGBACNXJOB-LLVKDONJSA-N 0 3 281.197 3.479 20 30 CGEDHN CCCCO[C@@H]1C[C@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602573625 347985701 /nfs/dbraw/zinc/98/57/01/347985701.db2.gz SUQPRDLHELTRKI-JKSUJKDBSA-N 0 3 287.407 3.027 20 30 CGEDHN N#CCC[C@@H](NCCC[C@@H]1CCO1)c1ccccc1 ZINC000602580210 347987278 /nfs/dbraw/zinc/98/72/78/347987278.db2.gz FJOIJRYQYGKHDY-HZPDHXFCSA-N 0 3 258.365 3.190 20 30 CGEDHN CCOCC(C)(C)NCc1ccc(C#N)cc1OC(F)F ZINC000339369441 215127492 /nfs/dbraw/zinc/12/74/92/215127492.db2.gz GFMKBAHZTRPJPH-UHFFFAOYSA-N 0 3 298.333 3.064 20 30 CGEDHN CCC[C@@]1(C(=O)OCC)CCCN1C[C@@H](C)CCC#N ZINC000602637169 347998464 /nfs/dbraw/zinc/99/84/64/347998464.db2.gz LPRMOZPMTIXPIP-HOCLYGCPSA-N 0 3 280.412 3.124 20 30 CGEDHN CO[C@H](CN[C@H]1CCc2cc(C#N)ccc21)C1CCCC1 ZINC000602640223 347999364 /nfs/dbraw/zinc/99/93/64/347999364.db2.gz KYAOVKIVFJKWSI-ZWKOTPCHSA-N 0 3 284.403 3.340 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2CCCCC(F)(F)C2)n1 ZINC000602672914 348005609 /nfs/dbraw/zinc/00/56/09/348005609.db2.gz ROQMWFLRRNJIMU-LBPRGKRZSA-N 0 3 279.334 3.258 20 30 CGEDHN Cc1csc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602674168 348006835 /nfs/dbraw/zinc/00/68/35/348006835.db2.gz FVNBEWIIHCQCGD-CYBMUJFWSA-N 0 3 278.421 3.245 20 30 CGEDHN COc1ccccc1-c1cc(CNC[C@H](C)CCC#N)on1 ZINC000602717458 348016380 /nfs/dbraw/zinc/01/63/80/348016380.db2.gz ZHGOCHQXIKSCTI-CYBMUJFWSA-N 0 3 299.374 3.380 20 30 CGEDHN CC[C@@H](C)[C@@H](CNCC1(C#N)CCCCC1)OC ZINC000602717826 348016637 /nfs/dbraw/zinc/01/66/37/348016637.db2.gz DIXHOPLMNIOWNQ-ZIAGYGMSSA-N 0 3 252.402 3.111 20 30 CGEDHN COc1ccc([C@H]2CCN(CC3(CC#N)CC3)C2)cc1 ZINC000602769888 348026196 /nfs/dbraw/zinc/02/61/96/348026196.db2.gz KVAFYTUDKGALPB-HNNXBMFYSA-N 0 3 270.376 3.178 20 30 CGEDHN Cc1ccccc1[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602772546 348026387 /nfs/dbraw/zinc/02/63/87/348026387.db2.gz SPTLCPKAYXZVGD-HNNXBMFYSA-N 0 3 254.377 3.478 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCO[C@H]1C ZINC000602775812 348027303 /nfs/dbraw/zinc/02/73/03/348027303.db2.gz BEZHQCOSSUWLDN-ZFWWWQNUSA-N 0 3 252.402 3.063 20 30 CGEDHN Cc1cccc([C@@H](C)CNCc2cccc(C#N)n2)c1 ZINC000602556071 347981528 /nfs/dbraw/zinc/98/15/28/347981528.db2.gz QGDQJBXRBWKJGL-AWEZNQCLSA-N 0 3 265.360 3.155 20 30 CGEDHN N#CCC1(CN[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000602804291 348031428 /nfs/dbraw/zinc/03/14/28/348031428.db2.gz FMLITKAFNRCAIJ-HZPDHXFCSA-N 0 3 270.376 3.048 20 30 CGEDHN COc1ncc(CN2CCC(CC#N)CC2)c2ccccc21 ZINC000602804827 348031629 /nfs/dbraw/zinc/03/16/29/348031629.db2.gz GSWLGBDHGJIDNG-UHFFFAOYSA-N 0 3 295.386 3.369 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888861 348040780 /nfs/dbraw/zinc/04/07/80/348040780.db2.gz SZLWSDUTQNJLKI-OAHLLOKOSA-N 0 3 294.402 3.359 20 30 CGEDHN CN(CCCCC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602979476 348050422 /nfs/dbraw/zinc/05/04/22/348050422.db2.gz DSNIDBMOFNERJM-UONOGXRCSA-N 0 3 280.412 3.122 20 30 CGEDHN C[C@@]1(C2CCCCC2)CCN1Cc1ccnc(C#N)c1 ZINC000603028763 348054490 /nfs/dbraw/zinc/05/44/90/348054490.db2.gz FZXLVAXIHBLPPA-KRWDZBQOSA-N 0 3 269.392 3.498 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2OCCc3ccccc32)c(F)c1 ZINC000610946964 348411275 /nfs/dbraw/zinc/41/12/75/348411275.db2.gz YFTKNPVAHFMRGN-GOSISDBHSA-N 0 3 296.345 3.101 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(CO)c1 ZINC000611164891 348425318 /nfs/dbraw/zinc/42/53/18/348425318.db2.gz QLSAVNWRHOFPIS-UONOGXRCSA-N 0 3 280.371 3.462 20 30 CGEDHN COCCN(Cc1cccc(C#N)c1F)C1CCCC1 ZINC000611371226 348441496 /nfs/dbraw/zinc/44/14/96/348441496.db2.gz LKAMXRWDTLEWDU-UHFFFAOYSA-N 0 3 276.355 3.088 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](CO)c1ccccc1 ZINC000611393808 348445939 /nfs/dbraw/zinc/44/59/39/348445939.db2.gz MKSNHNBJULCRHZ-OALUTQOASA-N 0 3 292.382 3.259 20 30 CGEDHN CCC1(O)CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000611587702 348462661 /nfs/dbraw/zinc/46/26/61/348462661.db2.gz OKJRCDRZDNUPEX-RFSCMCKOSA-N 0 3 290.382 3.432 20 30 CGEDHN CO[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1C ZINC000615236137 348725852 /nfs/dbraw/zinc/72/58/52/348725852.db2.gz ZYKKNKDTFDUVMX-YOEHRIQHSA-N 0 3 286.419 3.345 20 30 CGEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccccc2C#N)C1 ZINC000339503773 215214666 /nfs/dbraw/zinc/21/46/66/215214666.db2.gz GSCOHEOXJOADHN-KSSFIOAISA-N 0 3 286.419 3.225 20 30 CGEDHN CO[C@]1(C(F)(F)F)CCCN(CCCC(C)(C)C#N)C1 ZINC000614923482 348700165 /nfs/dbraw/zinc/70/01/65/348700165.db2.gz AVJHNTNPNBJXIQ-CYBMUJFWSA-N 0 3 292.345 3.360 20 30 CGEDHN C=CCN(C(=O)[C@@H](C)NC(C)(C)CC)c1ccccc1 ZINC000615001199 348706186 /nfs/dbraw/zinc/70/61/86/348706186.db2.gz BCAWPLBENMYMLG-CQSZACIVSA-N 0 3 274.408 3.372 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H](C)CC)C(C)C ZINC000616088234 348785954 /nfs/dbraw/zinc/78/59/54/348785954.db2.gz ONIWOIIMFOMABO-CVEARBPZSA-N 0 3 295.471 3.125 20 30 CGEDHN C[C@H](NCC1CCSCC1)c1ccc(C#N)cc1F ZINC000358557893 233154564 /nfs/dbraw/zinc/15/45/64/233154564.db2.gz NVORFSZRMMUZOX-NSHDSACASA-N 0 3 278.396 3.491 20 30 CGEDHN COc1ccc(CN(C)C)cc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000618574731 349109587 /nfs/dbraw/zinc/10/95/87/349109587.db2.gz IROAAALKEXUIFE-HIFRSBDPSA-N 0 3 287.407 3.251 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000618807930 349157716 /nfs/dbraw/zinc/15/77/16/349157716.db2.gz YBPMNZUXPSXVRJ-PVUWLOKVSA-N 0 3 265.360 3.218 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(O)cc1 ZINC000618831426 349158648 /nfs/dbraw/zinc/15/86/48/349158648.db2.gz QKODXLAAHVFDNX-KRWDZBQOSA-N 0 3 264.328 3.041 20 30 CGEDHN CCN(CCCC1(C#N)CCOCC1)Cc1ccoc1 ZINC000619620209 349262665 /nfs/dbraw/zinc/26/26/65/349262665.db2.gz UOJXOECXCQLROC-UHFFFAOYSA-N 0 3 276.380 3.202 20 30 CGEDHN N#C[C@@H]1CC[C@H](NC2(c3ccc(F)cc3)CCC2)C1 ZINC000619673452 349269782 /nfs/dbraw/zinc/26/97/82/349269782.db2.gz MBPMMHSNVBHFKL-DOMZBBRYSA-N 0 3 258.340 3.487 20 30 CGEDHN C=CCC[C@H](NCC(=O)NCC(C)(C)C)c1ccccc1 ZINC000625301486 350155826 /nfs/dbraw/zinc/15/58/26/350155826.db2.gz WJAXGLXNDYVUTR-INIZCTEOSA-N 0 3 288.435 3.446 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000625699737 350197808 /nfs/dbraw/zinc/19/78/08/350197808.db2.gz GPQNKEDRTANLOJ-BRWVUGGUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCOc1c(Cl)cc(CN(C)CC)cc1OC ZINC000628129722 350404646 /nfs/dbraw/zinc/40/46/46/350404646.db2.gz QVWWUBCRWJYRRT-UHFFFAOYSA-N 0 3 269.772 3.365 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNCc1oc(C)nc1C)C(C)C ZINC000628202013 350438425 /nfs/dbraw/zinc/43/84/25/350438425.db2.gz DYDSYKQWORMNRR-INIZCTEOSA-N 0 3 291.439 3.080 20 30 CGEDHN C=CC(C)(C)CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000628316657 350497791 /nfs/dbraw/zinc/49/77/91/350497791.db2.gz DMYKFPZDAUPFIE-UHFFFAOYSA-N 0 3 274.408 3.080 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000628405440 350528907 /nfs/dbraw/zinc/52/89/07/350528907.db2.gz MDJJPEFGHDMRTE-AWEZNQCLSA-N 0 3 285.366 3.409 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000628405752 350529429 /nfs/dbraw/zinc/52/94/29/350529429.db2.gz TUSYIAWXICYDNV-ZDUSSCGKSA-N 0 3 291.391 3.110 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccnn2-c2ccccc2OC)C1 ZINC000628406401 350529847 /nfs/dbraw/zinc/52/98/47/350529847.db2.gz JCOXIPPAPIOENE-OAHLLOKOSA-N 0 3 297.402 3.279 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000628544295 350573286 /nfs/dbraw/zinc/57/32/86/350573286.db2.gz AAVUYEDJUBWNCW-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCOc2c(OC)cccc21 ZINC000631603279 351087252 /nfs/dbraw/zinc/08/72/52/351087252.db2.gz RKULXBBRLVCZFR-OAHLLOKOSA-N 0 3 291.391 3.091 20 30 CGEDHN C=C1CC(C)(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000632686830 351209433 /nfs/dbraw/zinc/20/94/33/351209433.db2.gz POFGZXFDRVFPLV-UHFFFAOYSA-N 0 3 272.392 3.086 20 30 CGEDHN CCc1ccc(F)cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000633899157 351393022 /nfs/dbraw/zinc/39/30/22/351393022.db2.gz DQWISYZVHLNEFW-HNNXBMFYSA-N 0 3 297.333 3.285 20 30 CGEDHN CC(C)CSCCCNCc1ccc(C#N)s1 ZINC000120639564 186914695 /nfs/dbraw/zinc/91/46/95/186914695.db2.gz CBJSOOJDKLWMNO-UHFFFAOYSA-N 0 3 268.451 3.489 20 30 CGEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1F ZINC000124254310 187128763 /nfs/dbraw/zinc/12/87/63/187128763.db2.gz GLPAEQFWKXPRLO-BBRMVZONSA-N 0 3 290.382 3.213 20 30 CGEDHN CC[C@H](C)CN(CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157184280 188302196 /nfs/dbraw/zinc/30/21/96/188302196.db2.gz SJDYVITUPYEGGV-NSHDSACASA-N 0 3 291.395 3.075 20 30 CGEDHN COC1([C@H](C)NCc2ccc(C#N)cc2Cl)CCC1 ZINC000412030059 235107300 /nfs/dbraw/zinc/10/73/00/235107300.db2.gz ZAPOHXBLCDYXFZ-NSHDSACASA-N 0 3 278.783 3.259 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(F)cc1)CC2 ZINC000336396479 283198906 /nfs/dbraw/zinc/19/89/06/283198906.db2.gz RMTCMNQZPHQOQA-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN CC(C)=CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713819 138350723 /nfs/dbraw/zinc/35/07/23/138350723.db2.gz WXHVNDQGXUNLEW-UHFFFAOYSA-N 0 3 270.376 3.368 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)s1)Oc1cccc(F)c1 ZINC000176976990 189018088 /nfs/dbraw/zinc/01/80/88/189018088.db2.gz QLTBUOVGVOGXLR-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN CN1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1c1ccccc1 ZINC000179045748 189164688 /nfs/dbraw/zinc/16/46/88/189164688.db2.gz MQCCAJPRLJYLJR-IRXDYDNUSA-N 0 3 297.427 3.155 20 30 CGEDHN N#Cc1cccc(NCCN2CCC3(CCCCC3)CC2)n1 ZINC000440669398 238337681 /nfs/dbraw/zinc/33/76/81/238337681.db2.gz SMAXTQDIYJXORE-UHFFFAOYSA-N 0 3 298.434 3.411 20 30 CGEDHN C[C@H](NCCN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000181557138 189300475 /nfs/dbraw/zinc/30/04/75/189300475.db2.gz NUCBYRIVFULZET-INIZCTEOSA-N 0 3 293.414 3.341 20 30 CGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C)c1ccc(C#N)cc1 ZINC000181767868 189305834 /nfs/dbraw/zinc/30/58/34/189305834.db2.gz FBPQNSUHTJWGHU-WFASDCNBSA-N 0 3 260.381 3.006 20 30 CGEDHN C=CC[C@H](C(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000275363505 193010788 /nfs/dbraw/zinc/01/07/88/193010788.db2.gz TZWFTDFOTUFOPY-QAPCUYQASA-N 0 3 298.430 3.113 20 30 CGEDHN N#Cc1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000121020852 370823890 /nfs/dbraw/zinc/82/38/90/370823890.db2.gz WZSIHLLIIDCGRA-UHFFFAOYSA-N 0 3 283.419 3.009 20 30 CGEDHN CCC[C@H](NCc1nc(C#N)cs1)C1CCCC1 ZINC000459782012 242230630 /nfs/dbraw/zinc/23/06/30/242230630.db2.gz WZWRPCZSCVWWIM-ZDUSSCGKSA-N 0 3 263.410 3.463 20 30 CGEDHN C[C@@H](COCC(F)(F)F)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353274003 220002271 /nfs/dbraw/zinc/00/22/71/220002271.db2.gz NXGVSDWNABPKQC-HZMBPMFUSA-N 0 3 298.308 3.103 20 30 CGEDHN C=CCC[C@@H](O)CN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000126283302 370944227 /nfs/dbraw/zinc/94/42/27/370944227.db2.gz ONVDJTKDWAHIKF-MRXNPFEDSA-N 0 3 277.408 3.071 20 30 CGEDHN CN(CCOc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000034674373 368976667 /nfs/dbraw/zinc/97/66/67/368976667.db2.gz HOFLEWXPNBZTFC-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN COc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000037680642 369100913 /nfs/dbraw/zinc/10/09/13/369100913.db2.gz PRTBMGAGUDJZMW-CYBMUJFWSA-N 0 3 266.344 3.418 20 30 CGEDHN COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000042267110 369209287 /nfs/dbraw/zinc/20/92/87/369209287.db2.gz ZVJUGGGQFAHQKN-UHFFFAOYSA-N 0 3 266.344 3.199 20 30 CGEDHN N#Cc1ccc(CNCc2ccc(-n3cccn3)cc2)cc1 ZINC000047798173 369327946 /nfs/dbraw/zinc/32/79/46/369327946.db2.gz VTAROCLVJLSZSY-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN N#Cc1ccc([C@H](O)CN(Cc2cccs2)C2CC2)cc1 ZINC000049024118 369382796 /nfs/dbraw/zinc/38/27/96/369382796.db2.gz AYVKTHHQTDBXHC-QGZVFWFLSA-N 0 3 298.411 3.318 20 30 CGEDHN C=CCN(CCc1ccnn1CC)Cc1ccccc1 ZINC000276265966 193263814 /nfs/dbraw/zinc/26/38/14/193263814.db2.gz BWOWYEKKXRGIHQ-UHFFFAOYSA-N 0 3 269.392 3.134 20 30 CGEDHN CC(C)OCCN(Cc1ccc(C#N)cc1)C(C)C ZINC000063750911 369648553 /nfs/dbraw/zinc/64/85/53/369648553.db2.gz OCSQRCKPESQPRT-UHFFFAOYSA-N 0 3 260.381 3.194 20 30 CGEDHN C=C(C)CN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000064400328 369653724 /nfs/dbraw/zinc/65/37/24/369653724.db2.gz WOEYLNZXKNVZDT-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN N#Cc1cccnc1N1CCN(CCC2CCCCC2)CC1 ZINC000072558572 369825657 /nfs/dbraw/zinc/82/56/57/369825657.db2.gz AWINCSPXUYTQCD-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2nc(C)sc21 ZINC000090883654 370070141 /nfs/dbraw/zinc/07/01/41/370070141.db2.gz FPGKBUVWWOUXMO-LBPRGKRZSA-N 0 3 266.410 3.011 20 30 CGEDHN CCS[C@@H]1CCCCN(Cc2ccc(C#N)o2)C1 ZINC000093361765 370120575 /nfs/dbraw/zinc/12/05/75/370120575.db2.gz PGCNICBDULCUSL-CQSZACIVSA-N 0 3 264.394 3.259 20 30 CGEDHN N#Cc1cc(Cl)ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000110259003 370375219 /nfs/dbraw/zinc/37/52/19/370375219.db2.gz SGFQBSNQDUISAN-HNNXBMFYSA-N 0 3 289.810 3.276 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)CC1CCCC1 ZINC000130465752 371036732 /nfs/dbraw/zinc/03/67/32/371036732.db2.gz YJUWGKSNDTWBDL-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN N#Cc1csc(CN2CCCN(c3ccccc3)CC2)c1 ZINC000130788446 371058296 /nfs/dbraw/zinc/05/82/96/371058296.db2.gz YOLWMDIGBIQLEF-UHFFFAOYSA-N 0 3 297.427 3.332 20 30 CGEDHN N#Cc1cccc(OCCCN2CCc3ccsc3C2)c1 ZINC000132926121 371212258 /nfs/dbraw/zinc/21/22/58/371212258.db2.gz GKRHNXFDLKLKCF-UHFFFAOYSA-N 0 3 298.411 3.447 20 30 CGEDHN Cc1nc(CCN[C@@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000344079172 217042305 /nfs/dbraw/zinc/04/23/05/217042305.db2.gz SZFFHDPOXALSLW-NSHDSACASA-N 0 3 269.348 3.056 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(F)c2)sc1C ZINC000155655221 371938843 /nfs/dbraw/zinc/93/88/43/371938843.db2.gz AMOIPCQPHNKWLZ-LBPRGKRZSA-N 0 3 289.335 3.145 20 30 CGEDHN CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000290194275 371929801 /nfs/dbraw/zinc/92/98/01/371929801.db2.gz PAMQPIJBHHQKGD-GOSISDBHSA-N 0 3 297.402 3.488 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(F)c1 ZINC000290326467 371964272 /nfs/dbraw/zinc/96/42/72/371964272.db2.gz DJAHASLEJUJTSD-CGTJXYLNSA-N 0 3 278.330 3.125 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)s1 ZINC000290522054 372008757 /nfs/dbraw/zinc/00/87/57/372008757.db2.gz QCSFCEPXLZFPMW-OWCLPIDISA-N 0 3 266.369 3.048 20 30 CGEDHN C[C@@H](Nc1ccc(C#N)nc1)[C@H](c1ccccc1)N(C)C ZINC000290964387 372084064 /nfs/dbraw/zinc/08/40/64/372084064.db2.gz OUZGUNXUZPYEMP-CXAGYDPISA-N 0 3 280.375 3.057 20 30 CGEDHN CC[C@]1(C)CCN(CCOc2ccccc2C#N)C1 ZINC000344211592 217099998 /nfs/dbraw/zinc/09/99/98/217099998.db2.gz CHFSPWWZIPHATC-MRXNPFEDSA-N 0 3 258.365 3.059 20 30 CGEDHN C=C(C)CN(CC)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000159012990 372098766 /nfs/dbraw/zinc/09/87/66/372098766.db2.gz UEASPSFCECAXMD-UHFFFAOYSA-N 0 3 285.391 3.483 20 30 CGEDHN COc1ccc(C#N)cc1CN(C1CC1)C1CCCC1 ZINC000160084577 372210839 /nfs/dbraw/zinc/21/08/39/372210839.db2.gz TZYKJJAMVITPMA-UHFFFAOYSA-N 0 3 270.376 3.474 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(C)c2C)n1 ZINC000160095288 372212829 /nfs/dbraw/zinc/21/28/29/372212829.db2.gz OEXAGIQFNWXAAV-GFCCVEGCSA-N 0 3 285.372 3.314 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000160160176 372219883 /nfs/dbraw/zinc/21/98/83/372219883.db2.gz OKNKUUQSEWCMDY-ZDUSSCGKSA-N 0 3 285.372 3.260 20 30 CGEDHN CSC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000292516768 372194022 /nfs/dbraw/zinc/19/40/22/372194022.db2.gz WANAGTPNHVWWIG-HNNXBMFYSA-N 0 3 277.408 3.252 20 30 CGEDHN N#Cc1ccc(CNC23CC4CC(CC(C4)C2)C3)o1 ZINC000161034087 372296855 /nfs/dbraw/zinc/29/68/55/372296855.db2.gz ZGUNTNUAZQTNAR-UHFFFAOYSA-N 0 3 256.349 3.210 20 30 CGEDHN C=CCOCCN(C)[C@H](C)c1sc(CC)nc1C ZINC000292916201 372247845 /nfs/dbraw/zinc/24/78/45/372247845.db2.gz XNZPNJRCCMTAPE-GFCCVEGCSA-N 0 3 268.426 3.209 20 30 CGEDHN CC[C@H](C)CN(CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000160528826 372256512 /nfs/dbraw/zinc/25/65/12/372256512.db2.gz JDLQGYHNDLKJGP-WMLDXEAASA-N 0 3 299.418 3.032 20 30 CGEDHN N#Cc1c(F)cccc1CN(CC1CC1)C1CCC1 ZINC000428943228 372287619 /nfs/dbraw/zinc/28/76/19/372287619.db2.gz DVOFLIFOYHYUMW-UHFFFAOYSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1c(F)cccc1F ZINC000429710312 372378081 /nfs/dbraw/zinc/37/80/81/372378081.db2.gz VOLNLEMOOJWZKL-CYBMUJFWSA-N 0 3 282.378 3.466 20 30 CGEDHN N#CCC1(CNCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430021606 372381346 /nfs/dbraw/zinc/38/13/46/372381346.db2.gz SIZLXSTZHAMQFT-UHFFFAOYSA-N 0 3 284.281 3.369 20 30 CGEDHN COc1ccc([C@@H](C)NCC2(CC#N)CC2)c(OC)c1 ZINC000430738915 372394655 /nfs/dbraw/zinc/39/46/55/372394655.db2.gz GYXZSSZNERTZCG-GFCCVEGCSA-N 0 3 274.364 3.048 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(N2CCCC2=O)c1 ZINC000430751131 372396572 /nfs/dbraw/zinc/39/65/72/372396572.db2.gz SMRMVPPWKCBIFV-AWEZNQCLSA-N 0 3 297.402 3.158 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c(F)c1 ZINC000162710971 372411765 /nfs/dbraw/zinc/41/17/65/372411765.db2.gz UXIBRVQRMWKASA-SJORKVTESA-N 0 3 298.365 3.167 20 30 CGEDHN CN(Cc1ccco1)C(=O)C(C#N)CCc1ccccc1 ZINC000433111539 372582243 /nfs/dbraw/zinc/58/22/43/372582243.db2.gz VDQHVYMFOBKMPV-OAHLLOKOSA-N 0 3 282.343 3.011 20 30 CGEDHN C[C@@H](O)CN(Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000170691163 372650305 /nfs/dbraw/zinc/65/03/05/372650305.db2.gz NXRDPZFHTAFSQT-CYBMUJFWSA-N 0 3 290.382 3.213 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000294449387 372656835 /nfs/dbraw/zinc/65/68/35/372656835.db2.gz OTUWOXFIQCMIOR-MRXNPFEDSA-N 0 3 286.419 3.152 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434898074 372716790 /nfs/dbraw/zinc/71/67/90/372716790.db2.gz AXLRFYZQGFOFNU-FUHWJXTLSA-N 0 3 298.430 3.065 20 30 CGEDHN Cc1cc(C)cc(CNCc2ccc(OCC#N)cc2)c1 ZINC000171769341 372825212 /nfs/dbraw/zinc/82/52/12/372825212.db2.gz UJRAPMPIAUIADQ-UHFFFAOYSA-N 0 3 280.371 3.496 20 30 CGEDHN C=CC(C)(C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000295483844 372799854 /nfs/dbraw/zinc/79/98/54/372799854.db2.gz JMWBIAYBZNVAGR-UHFFFAOYSA-N 0 3 260.381 3.207 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(F)cccc1F ZINC000435748900 372802990 /nfs/dbraw/zinc/80/29/90/372802990.db2.gz QLBMYWCHQLDSJD-IAQYHMDHSA-N 0 3 267.319 3.036 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000171679871 372806006 /nfs/dbraw/zinc/80/60/06/372806006.db2.gz VENORCMLGSTHRG-UHFFFAOYSA-N 0 3 293.798 3.112 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C(C)C)C2)cc1C#N ZINC000438326671 372926513 /nfs/dbraw/zinc/92/65/13/372926513.db2.gz JOWXAMCNKXAJTQ-OAHLLOKOSA-N 0 3 272.392 3.435 20 30 CGEDHN C=CCN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000441176505 372998332 /nfs/dbraw/zinc/99/83/32/372998332.db2.gz MCHSPNDDQXFLRI-MAUKXSAKSA-N 0 3 287.451 3.108 20 30 CGEDHN CC(C)c1ccc(OCCN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442785288 373081719 /nfs/dbraw/zinc/08/17/19/373081719.db2.gz RNDIFAZJWAFCFM-GOEBONIOSA-N 0 3 272.392 3.471 20 30 CGEDHN Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[C@H](C#N)C2)n1 ZINC000442794958 373086030 /nfs/dbraw/zinc/08/60/30/373086030.db2.gz QZWOWJUSGKYAQF-DOTOQJQBSA-N 0 3 294.402 3.271 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCc2nc(-c3ccccn3)cs2)C1 ZINC000442821619 373096612 /nfs/dbraw/zinc/09/66/12/373096612.db2.gz BRNSTLSLLUFGPT-QWHCGFSZSA-N 0 3 298.415 3.029 20 30 CGEDHN CCc1ccc([C@H](CNCc2ccc(C#N)o2)N(C)C)cc1 ZINC000174238054 373272782 /nfs/dbraw/zinc/27/27/82/373272782.db2.gz WOWJVUKDASAQIG-SFHVURJKSA-N 0 3 297.402 3.106 20 30 CGEDHN C=CCN(C)CCOc1cc(F)cc(Br)c1 ZINC000445999030 373317462 /nfs/dbraw/zinc/31/74/62/373317462.db2.gz QKQAAEXXDMWPFX-UHFFFAOYSA-N 0 3 288.160 3.085 20 30 CGEDHN N#Cc1ccc(CNCCC[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000344960743 217369432 /nfs/dbraw/zinc/36/94/32/217369432.db2.gz DZIDYMLIJQPZML-PBHICJAKSA-N 0 3 290.382 3.118 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000298761155 373401928 /nfs/dbraw/zinc/40/19/28/373401928.db2.gz KQTKJWQEJWNKJA-INIZCTEOSA-N 0 3 251.333 3.223 20 30 CGEDHN CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(C)C#N ZINC000447864059 373510583 /nfs/dbraw/zinc/51/05/83/373510583.db2.gz CLOUXCYDUROTOR-FZMZJTMJSA-N 0 3 262.328 3.141 20 30 CGEDHN C=CCCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000448033668 373541421 /nfs/dbraw/zinc/54/14/21/373541421.db2.gz YVAWEURGFHAERM-MRXNPFEDSA-N 0 3 273.355 3.204 20 30 CGEDHN N#CCC1(CNCc2cc(F)cc(Br)c2)CC1 ZINC000449301395 373679892 /nfs/dbraw/zinc/67/98/92/373679892.db2.gz RIFOAUHKMANNTL-UHFFFAOYSA-N 0 3 297.171 3.372 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncnc3ccc(C)cc32)CC1 ZINC000301186785 373686419 /nfs/dbraw/zinc/68/64/19/373686419.db2.gz SQUIFPNUTQQMPV-UHFFFAOYSA-N 0 3 296.418 3.391 20 30 CGEDHN N#CCCCOc1cccc(CN2CC[C@@H]2C2CC2)c1 ZINC000449424779 373697932 /nfs/dbraw/zinc/69/79/32/373697932.db2.gz FYXCBLLUYYTCRC-QGZVFWFLSA-N 0 3 270.376 3.353 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H]2C2CC2)cc1OC ZINC000449426030 373699343 /nfs/dbraw/zinc/69/93/43/373699343.db2.gz OMYJJYUIPCNPKQ-OAHLLOKOSA-N 0 3 273.376 3.244 20 30 CGEDHN C[C@H]1CCc2nc(CN[C@H]3CC[C@@H](CC#N)C3)sc2C1 ZINC000449445964 373723565 /nfs/dbraw/zinc/72/35/65/373723565.db2.gz MXLBHQZMGFETSZ-AVGNSLFASA-N 0 3 289.448 3.440 20 30 CGEDHN Cc1cc(CN2CCSC[C@H]2C2CC2)ccc1C#N ZINC000449527416 373825614 /nfs/dbraw/zinc/82/56/14/373825614.db2.gz IDBGUKUVHGYRKV-INIZCTEOSA-N 0 3 272.417 3.194 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1COc2ccccc21 ZINC000179006511 373827341 /nfs/dbraw/zinc/82/73/41/373827341.db2.gz IIVAASMOHXUELS-LRDDRELGSA-N 0 3 296.345 3.352 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncnc3c(C)cccc23)CC1 ZINC000301712585 373799273 /nfs/dbraw/zinc/79/92/73/373799273.db2.gz IMDXYYCZODFGND-UHFFFAOYSA-N 0 3 296.418 3.391 20 30 CGEDHN C=CCCCC[C@@H](C)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449724332 373856115 /nfs/dbraw/zinc/85/61/15/373856115.db2.gz YDJIPKRGVYRFMJ-CYBMUJFWSA-N 0 3 285.395 3.091 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1nc(-c2ccccn2)n[nH]1 ZINC000449724332 373856130 /nfs/dbraw/zinc/85/61/30/373856130.db2.gz YDJIPKRGVYRFMJ-CYBMUJFWSA-N 0 3 285.395 3.091 20 30 CGEDHN C=C(CC)CNCc1cccc(OCCCC#N)c1 ZINC000449733158 373860439 /nfs/dbraw/zinc/86/04/39/373860439.db2.gz NUTULDRVZCXRTE-UHFFFAOYSA-N 0 3 258.365 3.425 20 30 CGEDHN C=CCC[C@H](NCC(=O)N(C)CC1CC1)c1ccccc1 ZINC000180036513 373957316 /nfs/dbraw/zinc/95/73/16/373957316.db2.gz LYLOGZXOYFMBHF-KRWDZBQOSA-N 0 3 286.419 3.152 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(OC)cc1OC ZINC000180455064 374010793 /nfs/dbraw/zinc/01/07/93/374010793.db2.gz BGQQPAVGVAANRZ-GFCCVEGCSA-N 0 3 281.421 3.274 20 30 CGEDHN C=CCSCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000180454841 374011153 /nfs/dbraw/zinc/01/11/53/374011153.db2.gz XBGULBDYNFUFCQ-GFCCVEGCSA-N 0 3 280.393 3.473 20 30 CGEDHN C#CCSCCN[C@H](C)c1sc(CC)nc1C ZINC000181092906 374078456 /nfs/dbraw/zinc/07/84/56/374078456.db2.gz AOPCWNTWSILYFH-SNVBAGLBSA-N 0 3 268.451 3.031 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc(OCC)c1 ZINC000180708843 374038517 /nfs/dbraw/zinc/03/85/17/374038517.db2.gz ZQYVJKJCVDRNAK-HIFRSBDPSA-N 0 3 263.381 3.063 20 30 CGEDHN C[C@H]1[C@@H](Nc2cccc(Cl)c2C#N)CCCN1C ZINC000450434190 374127800 /nfs/dbraw/zinc/12/78/00/374127800.db2.gz GCEYGPGGFPNIPW-GWCFXTLKSA-N 0 3 263.772 3.106 20 30 CGEDHN CC#CCN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181150434 374087272 /nfs/dbraw/zinc/08/72/72/374087272.db2.gz IXIADAIYLRSFQH-AWEZNQCLSA-N 0 3 267.376 3.074 20 30 CGEDHN CC#CCN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181150434 374087276 /nfs/dbraw/zinc/08/72/76/374087276.db2.gz IXIADAIYLRSFQH-AWEZNQCLSA-N 0 3 267.376 3.074 20 30 CGEDHN N#CC1(CN[C@@H](Cc2ccccc2)C2CC2)CCC1 ZINC000450685136 374170611 /nfs/dbraw/zinc/17/06/11/374170611.db2.gz KNXDAQVTCGXDKE-INIZCTEOSA-N 0 3 254.377 3.291 20 30 CGEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCC2)C1(CC)CC ZINC000450759799 374178252 /nfs/dbraw/zinc/17/82/52/374178252.db2.gz PPBYGWFEXDVOBE-KBPBESRZSA-N 0 3 264.413 3.254 20 30 CGEDHN CCN(CC(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182651914 374306091 /nfs/dbraw/zinc/30/60/91/374306091.db2.gz RQOVEFLFQQDEEL-QGZVFWFLSA-N 0 3 299.418 3.032 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000320683769 374351328 /nfs/dbraw/zinc/35/13/28/374351328.db2.gz VGVJQSARGSZWJR-GXTWGEPZSA-N 0 3 289.375 3.419 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1csc(Cl)c1 ZINC000320809074 374352409 /nfs/dbraw/zinc/35/24/09/374352409.db2.gz WXPOTGSRSFCWNQ-GXSJLCMTSA-N 0 3 259.802 3.379 20 30 CGEDHN CC[C@H](C)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000453273559 374384213 /nfs/dbraw/zinc/38/42/13/374384213.db2.gz WIGWRMANVZUFDE-OZVIIMIRSA-N 0 3 278.371 3.409 20 30 CGEDHN C=C(C)CN(CC)Cc1cn(C)nc1-c1ccccc1 ZINC000183476542 374418727 /nfs/dbraw/zinc/41/87/27/374418727.db2.gz PYLVIXKPVBXHCY-UHFFFAOYSA-N 0 3 269.392 3.485 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000185190519 374605084 /nfs/dbraw/zinc/60/50/84/374605084.db2.gz SAMHMZTWECLIBO-GJZGRUSLSA-N 0 3 278.421 3.303 20 30 CGEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000185635606 374703257 /nfs/dbraw/zinc/70/32/57/374703257.db2.gz BOSHWSDZCQRHAJ-DOTOQJQBSA-N 0 3 299.418 3.054 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000185812676 374742227 /nfs/dbraw/zinc/74/22/27/374742227.db2.gz UTJLCYUSPLJGFL-HZUKXOBISA-N 0 3 258.340 3.485 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(SC)c(F)c1 ZINC000186698603 374900642 /nfs/dbraw/zinc/90/06/42/374900642.db2.gz AVMJOGUEXPHLGW-JQWIXIFHSA-N 0 3 269.385 3.135 20 30 CGEDHN C=CCNC(=O)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C ZINC000469446245 374988685 /nfs/dbraw/zinc/98/86/85/374988685.db2.gz MGPTWPMJBFOXMU-HNNXBMFYSA-N 0 3 288.435 3.225 20 30 CGEDHN CCC[C@H](CCc1ccccc1)NC(=O)C(C)C#N ZINC000469730959 374991392 /nfs/dbraw/zinc/99/13/92/374991392.db2.gz HUZBGOFZJIUSFS-DZGCQCFKSA-N 0 3 258.365 3.064 20 30 CGEDHN CC[C@@H]1CN(C(=O)C(C)C#N)CC[C@H]1c1ccccc1 ZINC000470187635 374996169 /nfs/dbraw/zinc/99/61/69/374996169.db2.gz IOLPXZSLLJKLBR-IIAWOOMASA-N 0 3 270.376 3.188 20 30 CGEDHN COc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1O ZINC000187368265 375010414 /nfs/dbraw/zinc/01/04/14/375010414.db2.gz ICPIOWJFRFILOZ-CYBMUJFWSA-N 0 3 296.370 3.465 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H]1CCSc2cc(C)c(C)cc21 ZINC000187545191 375038713 /nfs/dbraw/zinc/03/87/13/375038713.db2.gz XOGNPSROOCKHJI-DZGCQCFKSA-N 0 3 277.433 3.367 20 30 CGEDHN C=C(C)[C@H](NCCCCCO)c1ccc(F)c(F)c1 ZINC000187777377 375091708 /nfs/dbraw/zinc/09/17/08/375091708.db2.gz NWQILWNBYZOIAK-HNNXBMFYSA-N 0 3 269.335 3.334 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H](C)C1 ZINC000187946252 375124505 /nfs/dbraw/zinc/12/45/05/375124505.db2.gz OYZDWDZGPDDNKG-KGLIPLIRSA-N 0 3 285.391 3.007 20 30 CGEDHN COCCN(CC#Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC000484874770 375188566 /nfs/dbraw/zinc/18/85/66/375188566.db2.gz YHBKATKBAPEGLT-SJLPKXTDSA-N 0 3 271.404 3.175 20 30 CGEDHN COCCN(CC#Cc1ccccc1)[C@@H]1CCC[C@@H]1C ZINC000487966964 375289978 /nfs/dbraw/zinc/28/99/78/375289978.db2.gz YEVVWGIFSBQBOE-FUHWJXTLSA-N 0 3 271.404 3.175 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000335862480 375492747 /nfs/dbraw/zinc/49/27/47/375492747.db2.gz JIZVJJKKPSUKEX-IINYFYTJSA-N 0 3 278.302 3.178 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCSC1 ZINC000494924366 375495372 /nfs/dbraw/zinc/49/53/72/375495372.db2.gz PXSZHHFKHYQDFX-AWEZNQCLSA-N 0 3 254.443 3.391 20 30 CGEDHN C=C(CC)CN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495721036 375501566 /nfs/dbraw/zinc/50/15/66/375501566.db2.gz XPSGVPHAWCLZTR-INIZCTEOSA-N 0 3 282.428 3.189 20 30 CGEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191147551 375585409 /nfs/dbraw/zinc/58/54/09/375585409.db2.gz RLERGPXWKWALME-UHFFFAOYSA-N 0 3 267.376 3.307 20 30 CGEDHN CC(C)C[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191411683 375623921 /nfs/dbraw/zinc/62/39/21/375623921.db2.gz DGSUOYLEJOIIKC-AWEZNQCLSA-N 0 3 259.397 3.155 20 30 CGEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1c[nH]c2ccccc12 ZINC000191541833 375638423 /nfs/dbraw/zinc/63/84/23/375638423.db2.gz RCWJUCYDAXRLHZ-UHFFFAOYSA-N 0 3 292.386 3.400 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C)CCC1CCCCC1 ZINC000507603663 375715926 /nfs/dbraw/zinc/71/59/26/375715926.db2.gz YOCKELJWAGLYPC-UHFFFAOYSA-N 0 3 278.440 3.089 20 30 CGEDHN Clc1cccc(C#CCN2CCC3(C2)CCOCC3)c1 ZINC000336165769 375742574 /nfs/dbraw/zinc/74/25/74/375742574.db2.gz RDBVVTSRIGWHNT-UHFFFAOYSA-N 0 3 289.806 3.194 20 30 CGEDHN C=C(C)CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000508976499 375766760 /nfs/dbraw/zinc/76/67/60/375766760.db2.gz HAXPFBWYJGZNAO-KRWDZBQOSA-N 0 3 257.377 3.127 20 30 CGEDHN C[C@H]1N(Cc2ccc(C#N)cc2F)CCC12CCOCC2 ZINC000336532622 375811832 /nfs/dbraw/zinc/81/18/32/375811832.db2.gz YXOFKGVPIXUPOG-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Br)s2)C1 ZINC000336598902 375864645 /nfs/dbraw/zinc/86/46/45/375864645.db2.gz LZRWGLSMFWFNRP-RKDXNWHRSA-N 0 3 285.210 3.292 20 30 CGEDHN COCCC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000528576580 375904387 /nfs/dbraw/zinc/90/43/87/375904387.db2.gz BHOLZFDCUNNZTB-UHFFFAOYSA-N 0 3 272.392 3.115 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2cc(C)ccc2s1 ZINC000528519466 375904719 /nfs/dbraw/zinc/90/47/19/375904719.db2.gz NOLIUTIWZNXTHJ-OCCSQVGLSA-N 0 3 288.416 3.428 20 30 CGEDHN C=CCCC[C@@H](C)N1CCc2nc(C3CC3)ncc2C1 ZINC000528739533 375908848 /nfs/dbraw/zinc/90/88/48/375908848.db2.gz KOLWJJZTMSMWNA-CYBMUJFWSA-N 0 3 271.408 3.457 20 30 CGEDHN Cc1csc([C@H](C)NCCCC2(C#N)CCOCC2)n1 ZINC000337206360 376136266 /nfs/dbraw/zinc/13/62/66/376136266.db2.gz MIGRVJAUNPXVQP-ZDUSSCGKSA-N 0 3 293.436 3.203 20 30 CGEDHN CC(C)(C#N)CCCN[C@@H](CO)c1cccc(Cl)c1F ZINC000337222365 376148311 /nfs/dbraw/zinc/14/83/11/376148311.db2.gz LVZAOKMBMJYDSG-ZDUSSCGKSA-N 0 3 298.789 3.432 20 30 CGEDHN CC[C@H](C)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000337447893 376222914 /nfs/dbraw/zinc/22/29/14/376222914.db2.gz DAJULFWYWLIUKC-BBRMVZONSA-N 0 3 291.826 3.321 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000538286868 376230438 /nfs/dbraw/zinc/23/04/38/376230438.db2.gz SEVPSHNXEKEEGX-OAHLLOKOSA-N 0 3 295.471 3.295 20 30 CGEDHN COC[C@@H](Cc1ccccc1)N[C@H](C)c1cccc(C#N)c1 ZINC000538395180 376238514 /nfs/dbraw/zinc/23/85/14/376238514.db2.gz FTEPLEOHOGMDLU-DNVCBOLYSA-N 0 3 294.398 3.467 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539065666 376289654 /nfs/dbraw/zinc/28/96/54/376289654.db2.gz UDRYUKJNGSTZDX-ZDUSSCGKSA-N 0 3 278.352 3.147 20 30 CGEDHN C[C@@H](N[C@@H](CO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000540976560 376409977 /nfs/dbraw/zinc/40/99/77/376409977.db2.gz NXOFMQKUAOIPEE-PXAZEXFGSA-N 0 3 290.382 3.289 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000540344422 376370710 /nfs/dbraw/zinc/37/07/10/376370710.db2.gz BIGJRSOKJYSWLY-UONOGXRCSA-N 0 3 274.399 3.393 20 30 CGEDHN N#CCc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000541283342 376435001 /nfs/dbraw/zinc/43/50/01/376435001.db2.gz XZBXOJZUZWTDRB-LJQANCHMSA-N 0 3 291.398 3.439 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCC2(CCCC2)O1 ZINC000229315982 376461659 /nfs/dbraw/zinc/46/16/59/376461659.db2.gz FAMMCQHKHSKBKL-QGZVFWFLSA-N 0 3 284.403 3.482 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC2(CCCCC2)CC1 ZINC000338725965 376502244 /nfs/dbraw/zinc/50/22/44/376502244.db2.gz MIEMRRGGBMSVHI-UHFFFAOYSA-N 0 3 290.451 3.233 20 30 CGEDHN CCS[C@H]1CCC[C@H]1NCc1cc(C#N)ccc1OC ZINC000233846438 376604319 /nfs/dbraw/zinc/60/43/19/376604319.db2.gz FSNCLBAKURJSHY-ZBFHGGJFSA-N 0 3 290.432 3.331 20 30 CGEDHN Cn1cc(CNCc2ccccc2C(F)(F)F)cc1C#N ZINC000232315193 376578644 /nfs/dbraw/zinc/57/86/44/376578644.db2.gz HRFZFKYHDJNLNM-UHFFFAOYSA-N 0 3 293.292 3.205 20 30 CGEDHN C=CCCOCCN[C@H]1CCc2c1cc(F)cc2F ZINC000155639602 542124723 /nfs/dbraw/zinc/12/47/23/542124723.db2.gz XPAPLTWANUUIKJ-HNNXBMFYSA-N 0 3 267.319 3.134 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000554075164 376848280 /nfs/dbraw/zinc/84/82/80/376848280.db2.gz SIJNEGWEQYUGOH-JYYAWHABSA-N 0 3 292.467 3.214 20 30 CGEDHN N#CCC[C@H](C#N)CNCCCn1ccc2ccccc21 ZINC000554546734 376851811 /nfs/dbraw/zinc/85/18/11/376851811.db2.gz VUKJFSPFKPCSCK-OAHLLOKOSA-N 0 3 280.375 3.065 20 30 CGEDHN C=CCOCCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000555376877 376856466 /nfs/dbraw/zinc/85/64/66/376856466.db2.gz DMMGBCKOBIHQPF-BBRMVZONSA-N 0 3 263.356 3.411 20 30 CGEDHN CC[C@]1(C)CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000340197102 376947514 /nfs/dbraw/zinc/94/75/14/376947514.db2.gz ZQUUVAZZMVHRMN-MRXNPFEDSA-N 0 3 258.365 3.189 20 30 CGEDHN COc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1)CC2 ZINC000340744899 377244180 /nfs/dbraw/zinc/24/41/80/377244180.db2.gz YNRLDAMBMZWLDR-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000248905097 377424175 /nfs/dbraw/zinc/42/41/75/377424175.db2.gz UTJLCYUSPLJGFL-DJSGYFEHSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CC[C@H](CO)CNCc1csc(-c2ccsc2)n1 ZINC000341317700 377504740 /nfs/dbraw/zinc/50/47/40/377504740.db2.gz WZACEPIMMSAYNK-NSHDSACASA-N 0 3 294.445 3.146 20 30 CGEDHN C=CCCCCN1CCN(CCC(C)(C)C)CC1 ZINC000567839238 377510013 /nfs/dbraw/zinc/51/00/13/377510013.db2.gz XBKFOXXKQFQLJK-UHFFFAOYSA-N 0 3 252.446 3.397 20 30 CGEDHN C=CCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000567840418 377510401 /nfs/dbraw/zinc/51/04/01/377510401.db2.gz ABYYZQGXEXIXQX-UHFFFAOYSA-N 0 3 269.392 3.295 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCCC[C@H]1O ZINC000569931762 377531380 /nfs/dbraw/zinc/53/13/80/377531380.db2.gz KMYNUSLMVBHFIX-AKHDSKFASA-N 0 3 298.430 3.309 20 30 CGEDHN Cc1ccc(-c2n[nH]cc2CN2CCC(CCC#N)CC2)o1 ZINC000572962114 377553033 /nfs/dbraw/zinc/55/30/33/377553033.db2.gz OFIGAQGQEPVDIK-UHFFFAOYSA-N 0 3 298.390 3.494 20 30 CGEDHN Cc1cc(OCC(=O)C2CC3CCC2C3)ccc1C#N ZINC000434650807 249135409 /nfs/dbraw/zinc/13/54/09/249135409.db2.gz RLDUMYGEWFESDW-HEHGZKQESA-N 0 3 269.344 3.251 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000341443238 377565862 /nfs/dbraw/zinc/56/58/62/377565862.db2.gz VBNPWBKRWWOZNV-MJBXVCDLSA-N 0 3 276.428 3.256 20 30 CGEDHN COCCN(Cc1ccccc1C#N)[C@H]1CCC[C@@H]1C ZINC000487967505 249172081 /nfs/dbraw/zinc/17/20/81/249172081.db2.gz ZEEMNMUQILUWAL-YOEHRIQHSA-N 0 3 272.392 3.195 20 30 CGEDHN C=CC[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000265310187 190174202 /nfs/dbraw/zinc/17/42/02/190174202.db2.gz FAPVWQRHJXNWSI-HNNXBMFYSA-N 0 3 286.419 3.367 20 30 CGEDHN Cc1ccc([C@H](CNc2cccc(C#N)n2)N2CCCC2)o1 ZINC000265504748 190187196 /nfs/dbraw/zinc/18/71/96/190187196.db2.gz JAFUICKPDYFRFS-HNNXBMFYSA-N 0 3 296.374 3.104 20 30 CGEDHN CCN(CCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000573873606 377588113 /nfs/dbraw/zinc/58/81/13/377588113.db2.gz HVYGASMGYOIMQH-UHFFFAOYSA-N 0 3 265.360 3.018 20 30 CGEDHN C=C(CC)CN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000341579743 377607928 /nfs/dbraw/zinc/60/79/28/377607928.db2.gz AAFKQJGYSQQDCF-AWEZNQCLSA-N 0 3 261.365 3.465 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](C)c2cccnc2)c1 ZINC000342085386 377627951 /nfs/dbraw/zinc/62/79/51/377627951.db2.gz KLIWWUAOYSCPKV-AWEZNQCLSA-N 0 3 268.360 3.497 20 30 CGEDHN C=CCCN(C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000342729533 377760625 /nfs/dbraw/zinc/76/06/25/377760625.db2.gz FUQBOHSLKJCGHQ-INIZCTEOSA-N 0 3 290.382 3.137 20 30 CGEDHN Cc1ccc([C@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000342736323 377764888 /nfs/dbraw/zinc/76/48/88/377764888.db2.gz WNEGFDYHKXUDDS-AWEZNQCLSA-N 0 3 290.370 3.365 20 30 CGEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000342800289 377803728 /nfs/dbraw/zinc/80/37/28/377803728.db2.gz QXPRSMOOUNAZBN-MGPQQGTHSA-N 0 3 282.391 3.072 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000342787864 377793109 /nfs/dbraw/zinc/79/31/09/377793109.db2.gz NWGRXRLYHKERNZ-QPUJVOFHSA-N 0 3 295.264 3.047 20 30 CGEDHN Cc1cccc2ncc(CN[C@@H](C)c3ccc(C#N)cc3)n21 ZINC000343191905 377924049 /nfs/dbraw/zinc/92/40/49/377924049.db2.gz JLIHAJBLFYFREO-AWEZNQCLSA-N 0 3 290.370 3.365 20 30 CGEDHN CC[C@@H](C)N[C@@H](CNc1nc(C)ccc1C#N)c1ccco1 ZINC000343252181 377939603 /nfs/dbraw/zinc/93/96/03/377939603.db2.gz QAIIPLQLINRGGH-DOMZBBRYSA-N 0 3 298.390 3.396 20 30 CGEDHN CCN(CCc1nccs1)Cc1ccc(CC#N)cc1 ZINC000343430251 377978638 /nfs/dbraw/zinc/97/86/38/377978638.db2.gz UBDAMWRXNDKXGJ-UHFFFAOYSA-N 0 3 285.416 3.274 20 30 CGEDHN Cn1cccc1[C@@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000343603957 378036866 /nfs/dbraw/zinc/03/68/66/378036866.db2.gz HPCALOOVMHYSDU-SFHVURJKSA-N 0 3 279.387 3.428 20 30 CGEDHN CCCN(CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000578202887 378047351 /nfs/dbraw/zinc/04/73/51/378047351.db2.gz ATKQHUXKKCCTBE-UHFFFAOYSA-N 0 3 293.436 3.296 20 30 CGEDHN Cc1nc2sccn2c1CN(C)CCCC(C)(C)C#N ZINC000268469363 378063155 /nfs/dbraw/zinc/06/31/55/378063155.db2.gz HOISSMRYAMRWRI-UHFFFAOYSA-N 0 3 290.436 3.466 20 30 CGEDHN C=C(CC)CN[C@@H](c1cccs1)C(C)(C)CO ZINC000578403648 378067080 /nfs/dbraw/zinc/06/70/80/378067080.db2.gz NPCABVYODYWQTJ-ZDUSSCGKSA-N 0 3 253.411 3.364 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCc2c1ccc(OC)c2F ZINC000343735485 378078164 /nfs/dbraw/zinc/07/81/64/378078164.db2.gz YAXQIFGHMYXEHX-CQSZACIVSA-N 0 3 279.355 3.004 20 30 CGEDHN C[C@H](c1ccco1)N(C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268659696 378086817 /nfs/dbraw/zinc/08/68/17/378086817.db2.gz ITMPQQVXOUYRNG-DYVFJYSZSA-N 0 3 296.370 3.410 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000268680579 378089376 /nfs/dbraw/zinc/08/93/76/378089376.db2.gz WYVYAIKNDOEBJS-YPMHNXCESA-N 0 3 269.335 3.285 20 30 CGEDHN CN(CCc1ccc(Cl)cc1)Cc1ccc(C#N)cn1 ZINC000579371333 378155868 /nfs/dbraw/zinc/15/58/68/378155868.db2.gz ZURSOYRPUGVBGT-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)nc1 ZINC000580325243 378242072 /nfs/dbraw/zinc/24/20/72/378242072.db2.gz MMLUXMDIESBASM-INIZCTEOSA-N 0 3 277.371 3.018 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(C#N)CCCC2)c1 ZINC000270345605 378339298 /nfs/dbraw/zinc/33/92/98/378339298.db2.gz AFRFZWRGMFPBBF-UHFFFAOYSA-N 0 3 285.391 3.079 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccs1 ZINC000618742650 378410836 /nfs/dbraw/zinc/41/08/36/378410836.db2.gz NZAIVQBSKRAJNS-HNNXBMFYSA-N 0 3 254.358 3.397 20 30 CGEDHN COCc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742971 378410946 /nfs/dbraw/zinc/41/09/46/378410946.db2.gz UJOTWCMAEUGGQJ-LJQANCHMSA-N 0 3 292.382 3.482 20 30 CGEDHN N#CC(C(=O)c1cc(F)c2ccccc2c1)c1ccncn1 ZINC000345998322 378433512 /nfs/dbraw/zinc/43/35/12/378433512.db2.gz VIRPBIDNKAQDGM-AWEZNQCLSA-N 0 3 291.285 3.259 20 30 CGEDHN CC(C)[C@H](O)C(C)(C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271983576 378536136 /nfs/dbraw/zinc/53/61/36/378536136.db2.gz XKBFKRMEWNJUEH-WBMJQRKESA-N 0 3 292.398 3.391 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@H](OC)C1CCOCC1 ZINC000637870569 378607865 /nfs/dbraw/zinc/60/78/65/378607865.db2.gz CDTVAOYKKZVGKD-INIZCTEOSA-N 0 3 295.448 3.178 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000272532941 378659130 /nfs/dbraw/zinc/65/91/30/378659130.db2.gz JMNCEIPRRXLWDT-NSHDSACASA-N 0 3 271.307 3.141 20 30 CGEDHN Cc1ccc(CCN(Cc2ccco2)C(=O)C(C)C#N)cc1 ZINC000346887657 378695909 /nfs/dbraw/zinc/69/59/09/378695909.db2.gz JXKLHKLJRKVRBS-OAHLLOKOSA-N 0 3 296.370 3.319 20 30 CGEDHN C=CCOCCCN(C)Cc1cc2ccccc2o1 ZINC000348024516 378756746 /nfs/dbraw/zinc/75/67/46/378756746.db2.gz CFIWNKMRKVXZTC-UHFFFAOYSA-N 0 3 259.349 3.457 20 30 CGEDHN C=CCOCCCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000348041356 378762785 /nfs/dbraw/zinc/76/27/85/378762785.db2.gz XLIWKPIBDBJZRH-QGZVFWFLSA-N 0 3 299.418 3.303 20 30 CGEDHN C=CCOCCCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000348117312 378798511 /nfs/dbraw/zinc/79/85/11/378798511.db2.gz ZSTNVXWMUYLSDM-GOSISDBHSA-N 0 3 287.403 3.101 20 30 CGEDHN COc1cccc([C@H](C)NCc2ccc(OC)c(C#N)c2)c1 ZINC000266221502 190240911 /nfs/dbraw/zinc/24/09/11/190240911.db2.gz RKVAKGBESKXSQB-ZDUSSCGKSA-N 0 3 296.370 3.426 20 30 CGEDHN C=CCC[C@H](NC[C@H](CO)c1cccnc1)c1ccco1 ZINC000348245146 378860464 /nfs/dbraw/zinc/86/04/64/378860464.db2.gz OKSFFLHZWCPEMW-CVEARBPZSA-N 0 3 286.375 3.048 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2cccnc2)cc1 ZINC000346983027 218077655 /nfs/dbraw/zinc/07/76/55/218077655.db2.gz YYAFPICGSIDSQY-GOSISDBHSA-N 0 3 293.370 3.169 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)c1ccc2c(c1)CNC2 ZINC000638873592 378942987 /nfs/dbraw/zinc/94/29/87/378942987.db2.gz BYBVQLFCXQZKAN-UHFFFAOYSA-N 0 3 272.392 3.012 20 30 CGEDHN CCC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000347229847 218162263 /nfs/dbraw/zinc/16/22/63/218162263.db2.gz IRDSWVYULBSCRK-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCC1(C(=O)Nc2ccccc2CCN(C)C)CCC1 ZINC000276996927 379040698 /nfs/dbraw/zinc/04/06/98/379040698.db2.gz XWYSTFGZVVJDOE-UHFFFAOYSA-N 0 3 286.419 3.476 20 30 CGEDHN Cc1cc(CN(C)Cc2ccc(O)cc2)ccc1C#N ZINC000349418448 379276233 /nfs/dbraw/zinc/27/62/33/379276233.db2.gz NTPIOFOXDMSTND-UHFFFAOYSA-N 0 3 266.344 3.204 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000349758156 379371239 /nfs/dbraw/zinc/37/12/39/379371239.db2.gz MERAYVINKPEHRU-STQMWFEESA-N 0 3 289.375 3.337 20 30 CGEDHN CC[C@H](N[C@H](C)c1cnn(C)c1C)c1ccc(C#N)cc1 ZINC000278351236 379359584 /nfs/dbraw/zinc/35/95/84/379359584.db2.gz ZGRPCEWWDGELMI-PXAZEXFGSA-N 0 3 282.391 3.402 20 30 CGEDHN C[C@]1(c2ccccc2)CCN(Cc2ccc(C#N)o2)C1 ZINC000374268673 379403516 /nfs/dbraw/zinc/40/35/16/379403516.db2.gz FVLSXZDEVNAFFW-KRWDZBQOSA-N 0 3 266.344 3.315 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000349828778 379406408 /nfs/dbraw/zinc/40/64/08/379406408.db2.gz NDOQPPRHDBCQKG-WCQYABFASA-N 0 3 268.282 3.487 20 30 CGEDHN CO[C@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000374682411 379473701 /nfs/dbraw/zinc/47/37/01/379473701.db2.gz ZLLOCZCENPHLEV-INIZCTEOSA-N 0 3 277.795 3.192 20 30 CGEDHN C=CCN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375855423 379514158 /nfs/dbraw/zinc/51/41/58/379514158.db2.gz AJUWJHMDKQVREO-AWEZNQCLSA-N 0 3 285.309 3.183 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000280812413 379797893 /nfs/dbraw/zinc/79/78/93/379797893.db2.gz MHGNHMNVZSEYNX-KEYYUXOJSA-N 0 3 275.392 3.332 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1csc(C)n1 ZINC000280902110 379808650 /nfs/dbraw/zinc/80/86/50/379808650.db2.gz RELXAYJGTXYZEK-JKOKRWQUSA-N 0 3 266.410 3.083 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc2ccccc2n1C ZINC000280900622 379808762 /nfs/dbraw/zinc/80/87/62/379808762.db2.gz RCGXLSKOECQKCT-ZQIUZPCESA-N 0 3 299.418 3.205 20 30 CGEDHN C=C(C)CCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640568138 379824228 /nfs/dbraw/zinc/82/42/28/379824228.db2.gz PXFHGAFLSJHXTG-KBPBESRZSA-N 0 3 287.325 3.077 20 30 CGEDHN C=CCCC[C@H](C)NCc1cnc2ccccc2n1 ZINC000398186686 379929275 /nfs/dbraw/zinc/92/92/75/379929275.db2.gz QEAFUECLRRHWJY-ZDUSSCGKSA-N 0 3 255.365 3.464 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 ZINC000352808194 379971331 /nfs/dbraw/zinc/97/13/31/379971331.db2.gz BPQSBNLMULMPEU-SDDRHHMPSA-N 0 3 261.394 3.073 20 30 CGEDHN CCC[C@@]1(NCc2ccc(C#N)cc2Cl)CCOC1 ZINC000352814156 379976537 /nfs/dbraw/zinc/97/65/37/379976537.db2.gz DWWVKGMXRFTRCQ-OAHLLOKOSA-N 0 3 278.783 3.260 20 30 CGEDHN C=CCOc1ccc(CNCc2cnccc2N(C)C)cc1 ZINC000352913320 380034481 /nfs/dbraw/zinc/03/44/81/380034481.db2.gz GVEYRNUOQOSKPV-UHFFFAOYSA-N 0 3 297.402 3.002 20 30 CGEDHN C[C@H](CCc1ccccc1)NCc1nc(C#N)cs1 ZINC000352843663 379998416 /nfs/dbraw/zinc/99/84/16/379998416.db2.gz BNMTWRKKZLYTKW-GFCCVEGCSA-N 0 3 271.389 3.126 20 30 CGEDHN C#CCOc1ccc(CNCc2ccccc2N(C)C)cc1 ZINC000267857318 190359247 /nfs/dbraw/zinc/35/92/47/190359247.db2.gz FHBQOBRQCCDLTF-UHFFFAOYSA-N 0 3 294.398 3.054 20 30 CGEDHN CC[C@@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000352856403 380008379 /nfs/dbraw/zinc/00/83/79/380008379.db2.gz WLWNPQAVPHVYJH-ZDUSSCGKSA-N 0 3 271.389 3.126 20 30 CGEDHN CCCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1[O-] ZINC000282976304 380018401 /nfs/dbraw/zinc/01/84/01/380018401.db2.gz JAFUWTAPQDIPQQ-UHFFFAOYSA-N 0 3 297.402 3.405 20 30 CGEDHN CCCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1[O-] ZINC000282976304 380018412 /nfs/dbraw/zinc/01/84/12/380018412.db2.gz JAFUWTAPQDIPQQ-UHFFFAOYSA-N 0 3 297.402 3.405 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc(CC)nc2)cc1 ZINC000352957963 380057297 /nfs/dbraw/zinc/05/72/97/380057297.db2.gz WRELGXZYQJXCRN-UHFFFAOYSA-N 0 3 282.387 3.499 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](COC(F)F)C1 ZINC000353027194 380081150 /nfs/dbraw/zinc/08/11/50/380081150.db2.gz MKVYSBWFUMKJEG-AAEUAGOBSA-N 0 3 280.318 3.180 20 30 CGEDHN N#CC1(CCN2CC[C@H](Oc3ccncc3)C2)CCCCC1 ZINC000411326625 380141283 /nfs/dbraw/zinc/14/12/83/380141283.db2.gz PYURYDMAGACHME-KRWDZBQOSA-N 0 3 299.418 3.399 20 30 CGEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(N2CCCC2=O)c1 ZINC000411446993 380146825 /nfs/dbraw/zinc/14/68/25/380146825.db2.gz BHZDBYGCHGKODA-UONOGXRCSA-N 0 3 285.391 3.156 20 30 CGEDHN N#Cc1ccc(CNCC2(c3ccccn3)CCC2)c(F)c1 ZINC000353082724 380107267 /nfs/dbraw/zinc/10/72/67/380107267.db2.gz GFBKKCIRDHRDTA-UHFFFAOYSA-N 0 3 295.361 3.304 20 30 CGEDHN Cc1cccc2c1OC[C@@H](NCc1cc(C#N)cs1)C2 ZINC000353106162 380118197 /nfs/dbraw/zinc/11/81/97/380118197.db2.gz GMLXLXVRCQTFDL-AWEZNQCLSA-N 0 3 284.384 3.022 20 30 CGEDHN COc1cc(CNCc2ccc(F)c(C)c2)ccc1C#N ZINC000353214373 380170871 /nfs/dbraw/zinc/17/08/71/380170871.db2.gz UVSCXTCBZJUPTH-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC)cc1C ZINC000414088129 380189344 /nfs/dbraw/zinc/18/93/44/380189344.db2.gz IWGHJWWYNNQNFR-AWEZNQCLSA-N 0 3 263.381 3.247 20 30 CGEDHN COc1ncc([C@@H](C)NCC(C)(C)CC#N)cc1Cl ZINC000414174900 380198604 /nfs/dbraw/zinc/19/86/04/380198604.db2.gz YLKVUVJYTHFZEU-SNVBAGLBSA-N 0 3 281.787 3.334 20 30 CGEDHN CC(C)(C)c1ccncc1CN[C@H]1CC[C@H](C#N)C1 ZINC000414227547 380203822 /nfs/dbraw/zinc/20/38/22/380203822.db2.gz KVNRCVQDVJGBHG-JSGCOSHPSA-N 0 3 257.381 3.161 20 30 CGEDHN C=CCCN(C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414427578 380230622 /nfs/dbraw/zinc/23/06/22/380230622.db2.gz AAWARIAMWUMOQE-UHFFFAOYSA-N 0 3 273.355 3.328 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)cc1F)c1cccnc1 ZINC000414556639 380317961 /nfs/dbraw/zinc/31/79/61/380317961.db2.gz KLFYICYUOHAYMA-UHFFFAOYSA-N 0 3 283.350 3.160 20 30 CGEDHN C=CCOc1ccc(CN(C)CCOCC2CC2)cc1 ZINC000354068695 380307689 /nfs/dbraw/zinc/30/76/89/380307689.db2.gz RHRIPUYLDRMUIL-UHFFFAOYSA-N 0 3 275.392 3.110 20 30 CGEDHN C=C(C)CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646079827 380824152 /nfs/dbraw/zinc/82/41/52/380824152.db2.gz RZTCHYUWILBKGW-INIZCTEOSA-N 0 3 257.377 3.222 20 30 CGEDHN CN(Cc1cc(C#N)cs1)C1CC(OC(C)(C)C)C1 ZINC000421376032 380916491 /nfs/dbraw/zinc/91/64/91/380916491.db2.gz QXJFTTZRVKOXNV-UHFFFAOYSA-N 0 3 278.421 3.398 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357040612 381006650 /nfs/dbraw/zinc/00/66/50/381006650.db2.gz OFVNUJOBBMUMJW-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000357730187 381268122 /nfs/dbraw/zinc/26/81/22/381268122.db2.gz ADQUMLOBFRIDOV-KGLIPLIRSA-N 0 3 285.391 3.007 20 30 CGEDHN CC[C@H](CC#N)NC1CCC2(CCOCC2)CC1 ZINC000358290260 381301569 /nfs/dbraw/zinc/30/15/69/381301569.db2.gz QMKFXFZFAZKPRU-CYBMUJFWSA-N 0 3 250.386 3.008 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000358312609 381304080 /nfs/dbraw/zinc/30/40/80/381304080.db2.gz BOYLBRDTNVVUCC-STQMWFEESA-N 0 3 275.396 3.442 20 30 CGEDHN C[C@H](NCCOCC1CCC1)c1ccc(C#N)cc1 ZINC000360504982 381563296 /nfs/dbraw/zinc/56/32/96/381563296.db2.gz RGLFHLYADMWKSC-ZDUSSCGKSA-N 0 3 258.365 3.026 20 30 CGEDHN C=CCCCN(C)Cc1cncc(C(F)(F)F)c1 ZINC000361317423 381692501 /nfs/dbraw/zinc/69/25/01/381692501.db2.gz AGYINGXSJBXGNC-UHFFFAOYSA-N 0 3 258.287 3.498 20 30 CGEDHN N#CC(C(=O)c1ccoc1)c1nccc2ccccc21 ZINC000361540294 381791867 /nfs/dbraw/zinc/79/18/67/381791867.db2.gz IVFWTGHBXKOSQS-CQSZACIVSA-N 0 3 262.268 3.318 20 30 CGEDHN COCCN(Cc1cc(C#N)cs1)[C@@H]1CC[C@H](C)C1 ZINC000361626139 381845322 /nfs/dbraw/zinc/84/53/22/381845322.db2.gz BMNNVZGLHFBDDV-GXTWGEPZSA-N 0 3 278.421 3.257 20 30 CGEDHN Cn1cc(CN2CCC[C@H](Cc3ccccc3)C2)cc1C#N ZINC000361575079 381812963 /nfs/dbraw/zinc/81/29/63/381812963.db2.gz ACVBZUFJEZJQCZ-QGZVFWFLSA-N 0 3 293.414 3.351 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)OC ZINC000361573688 381813739 /nfs/dbraw/zinc/81/37/39/381813739.db2.gz NDLLQRJCBQEIFJ-NSHDSACASA-N 0 3 298.333 3.016 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](C)(CC)C1 ZINC000362390380 381970024 /nfs/dbraw/zinc/97/00/24/381970024.db2.gz ITYUFWXDUAAZDL-WBVHZDCISA-N 0 3 280.456 3.312 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)o1 ZINC000362391028 381972717 /nfs/dbraw/zinc/97/27/17/381972717.db2.gz YBKVMIMSLVPJTQ-MSOLQXFVSA-N 0 3 296.370 3.239 20 30 CGEDHN CC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000363786168 382255717 /nfs/dbraw/zinc/25/57/17/382255717.db2.gz FIGGOWXLPMBPTD-INMHGKMJSA-N 0 3 297.402 3.156 20 30 CGEDHN C#Cc1ccc(CN2CCC(c3ccccn3)CC2)cc1 ZINC000367298174 382343519 /nfs/dbraw/zinc/34/35/19/382343519.db2.gz BGIVWGLCVNLTAS-UHFFFAOYSA-N 0 3 276.383 3.443 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H](F)C2)c(F)c1 ZINC000335374695 208308978 /nfs/dbraw/zinc/30/89/78/208308978.db2.gz ZJNZVYIPUVQLKC-CHWSQXEVSA-N 0 3 250.292 3.068 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000335367207 208289377 /nfs/dbraw/zinc/28/93/77/208289377.db2.gz DIPXWOMPSNRNJQ-YOEHRIQHSA-N 0 3 288.366 3.088 20 30 CGEDHN C=CCC[C@H](CO)N[C@H]1CCSc2c(F)cccc21 ZINC000321051751 542438954 /nfs/dbraw/zinc/43/89/54/542438954.db2.gz VXHLDPTXVCTUSG-RISCZKNCSA-N 0 3 281.396 3.279 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000184353009 129303452 /nfs/dbraw/zinc/30/34/52/129303452.db2.gz BLBNUSKNRHPFGA-VXGBXAGGSA-N 0 3 288.416 3.243 20 30 CGEDHN Cc1cccc(CN(C)CCOc2cccc(C#N)c2)c1 ZINC000048336949 391997058 /nfs/dbraw/zinc/99/70/58/391997058.db2.gz YGZZCVLMOKJYIM-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN Cc1cccc(CN(C)CCOc2ccccc2C#N)c1 ZINC000048554391 392003681 /nfs/dbraw/zinc/00/36/81/392003681.db2.gz UHELYEKTIYKDGN-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000048777746 392014641 /nfs/dbraw/zinc/01/46/41/392014641.db2.gz KSMPITOTKMHHLF-SFHVURJKSA-N 0 3 297.377 3.090 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](c2ccccc2C)C(C)C)C1=O ZINC000281955793 392262615 /nfs/dbraw/zinc/26/26/15/392262615.db2.gz JXVHVRQIRAJPBN-IAGOWNOFSA-N 0 3 286.419 3.069 20 30 CGEDHN C=CCN1CC[C@@H](N[C@@H](CC)c2ccc(Cl)cc2)C1=O ZINC000281987568 392269233 /nfs/dbraw/zinc/26/92/33/392269233.db2.gz MNKLCYGDKZIDPF-LSDHHAIUSA-N 0 3 292.810 3.168 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](CC)c2cccc(Cl)c2)C1=O ZINC000282129039 392282950 /nfs/dbraw/zinc/28/29/50/392282950.db2.gz YNHQBBFBKSYWAC-HUUCEWRRSA-N 0 3 292.810 3.168 20 30 CGEDHN C=CCCOCCNCc1ccc(Br)cc1 ZINC000120879414 392405020 /nfs/dbraw/zinc/40/50/20/392405020.db2.gz DIXPWNPLLOBXCK-UHFFFAOYSA-N 0 3 284.197 3.131 20 30 CGEDHN C=CCCCCCN(C)CC[S@@](=O)c1ccccc1 ZINC000150896883 392483184 /nfs/dbraw/zinc/48/31/84/392483184.db2.gz AEBDZFUBUWBGGS-IBGZPJMESA-N 0 3 279.449 3.472 20 30 CGEDHN CC[C@H](N[C@@H](CC)[C@@H](O)C(F)F)c1ccc(C#N)cc1 ZINC000296440934 392558208 /nfs/dbraw/zinc/55/82/08/392558208.db2.gz MHYDNEVXEPMFKX-MELADBBJSA-N 0 3 282.334 3.004 20 30 CGEDHN N#CCCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374307876 392676656 /nfs/dbraw/zinc/67/66/56/392676656.db2.gz IVJLKPFCTZXJHC-UHFFFAOYSA-N 0 3 265.360 3.341 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000374410273 392677649 /nfs/dbraw/zinc/67/76/49/392677649.db2.gz GTALLMVMSOSWQV-CVEARBPZSA-N 0 3 289.806 3.050 20 30 CGEDHN N#CC1(NC(=O)CN2CCC[C@@H]2C2CCCCC2)CCC1 ZINC000329516165 392685508 /nfs/dbraw/zinc/68/55/08/392685508.db2.gz YTHUMGDHIJWERH-OAHLLOKOSA-N 0 3 289.423 3.434 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000181534589 392733603 /nfs/dbraw/zinc/73/36/03/392733603.db2.gz RPLKTGRWSJLRQN-CVEARBPZSA-N 0 3 288.435 3.193 20 30 CGEDHN CCN(CCc1nccs1)Cc1ccc(C#N)cc1C ZINC000186312222 392782850 /nfs/dbraw/zinc/78/28/50/392782850.db2.gz NJJMUUUSBBAHRM-UHFFFAOYSA-N 0 3 285.416 3.388 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](C)OC)cc1Cl ZINC000191153519 392823179 /nfs/dbraw/zinc/82/31/79/392823179.db2.gz XWSQYMQRTJQBRT-NSHDSACASA-N 0 3 269.772 3.029 20 30 CGEDHN C=CCNC(=O)CN(CCC)[C@H](CC)c1ccccc1 ZINC000519907150 392902143 /nfs/dbraw/zinc/90/21/43/392902143.db2.gz MJCODWCBNFHKIH-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338362108 392912434 /nfs/dbraw/zinc/91/24/34/392912434.db2.gz TWUDQUMANFOYTH-QWHCGFSZSA-N 0 3 291.357 3.368 20 30 CGEDHN C=CC1CCN(Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000648008390 392866958 /nfs/dbraw/zinc/86/69/58/392866958.db2.gz GJLSWJWLDJSWCB-UHFFFAOYSA-N 0 3 285.391 3.387 20 30 CGEDHN C=CCCCCCNCc1c(Br)cnn1C ZINC000519616873 392874383 /nfs/dbraw/zinc/87/43/83/392874383.db2.gz QRPYNFBFZIVDSM-UHFFFAOYSA-N 0 3 286.217 3.019 20 30 CGEDHN C=CCOCCN(C)Cc1ccc(SC)c(OC)c1 ZINC000338941424 392936716 /nfs/dbraw/zinc/93/67/16/392936716.db2.gz HMJNZBRPWNCHGK-UHFFFAOYSA-N 0 3 281.421 3.052 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](Oc3ccccc3)C2)C1 ZINC000338997597 392939441 /nfs/dbraw/zinc/93/94/41/392939441.db2.gz PJQXOBFQGCZPJT-VYDXJSESSA-N 0 3 270.376 3.222 20 30 CGEDHN C=CCOCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000339002841 392939861 /nfs/dbraw/zinc/93/98/61/392939861.db2.gz LQTYGZTXYCRNHF-GOEBONIOSA-N 0 3 277.433 3.368 20 30 CGEDHN CC(C)[C@@H]1CN(CCC2(C#N)CCCCC2)CCN1C ZINC000411632957 392984232 /nfs/dbraw/zinc/98/42/32/392984232.db2.gz NCADUOVULOUDPV-INIZCTEOSA-N 0 3 277.456 3.123 20 30 CGEDHN C=CC[C@@H]1N(Cc2ncc(C)n2C)CCCC1(C)C ZINC000342848826 393011484 /nfs/dbraw/zinc/01/14/84/393011484.db2.gz RJZXAKKWIMYGOF-AWEZNQCLSA-N 0 3 261.413 3.295 20 30 CGEDHN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(C)C#N)CCC2 ZINC000342973445 393014938 /nfs/dbraw/zinc/01/49/38/393014938.db2.gz BSCPDBJHOCZKBN-LRDDRELGSA-N 0 3 270.376 3.463 20 30 CGEDHN C=CCCCC(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413903168 393033678 /nfs/dbraw/zinc/03/36/78/393033678.db2.gz QKPRAWNRBAGPQP-UHFFFAOYSA-N 0 3 294.370 3.061 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1nccs1 ZINC000413881568 393033777 /nfs/dbraw/zinc/03/37/77/393033777.db2.gz OHKRMHKUKQHBDX-GXTWGEPZSA-N 0 3 299.399 3.093 20 30 CGEDHN Cc1ccccc1C1CC(N(C(=O)C(C)C#N)C2CC2)C1 ZINC000346381393 393088160 /nfs/dbraw/zinc/08/81/60/393088160.db2.gz JHSJSMUTYVKBOX-VQCLRJIVSA-N 0 3 282.387 3.392 20 30 CGEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1C(C)C ZINC000344722102 393048309 /nfs/dbraw/zinc/04/83/09/393048309.db2.gz IOHIMRHAQCBDKF-OAHLLOKOSA-N 0 3 296.374 3.274 20 30 CGEDHN CC(C)(O)CN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000271574557 393251933 /nfs/dbraw/zinc/25/19/33/393251933.db2.gz QFBUKMRUMPGBRX-UHFFFAOYSA-N 0 3 294.398 3.331 20 30 CGEDHN C=C(C)CCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000274765676 393289163 /nfs/dbraw/zinc/28/91/63/393289163.db2.gz GBZWDANPQBEAFT-SCLBCKFNSA-N 0 3 265.422 3.383 20 30 CGEDHN C=CCN(Cc1ccccc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000355414791 393313685 /nfs/dbraw/zinc/31/36/85/393313685.db2.gz WWMLVIAOJLHMLZ-HOTGVXAUSA-N 0 3 286.419 3.074 20 30 CGEDHN C[C@@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCN1C ZINC000475516757 393406242 /nfs/dbraw/zinc/40/62/42/393406242.db2.gz OBENEVYQCOKBSO-ZYHUDNBSSA-N 0 3 297.324 3.472 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000429565175 393482679 /nfs/dbraw/zinc/48/26/79/393482679.db2.gz HBHJVNRADIYNOY-WFASDCNBSA-N 0 3 258.365 3.187 20 30 CGEDHN Cc1cnc(CCN(C)Cc2ccc(C#N)c(C)c2)s1 ZINC000488105932 393459460 /nfs/dbraw/zinc/45/94/60/393459460.db2.gz OQLKBZNQNIXZLW-UHFFFAOYSA-N 0 3 285.416 3.306 20 30 CGEDHN Cc1cc(CN2CCSC(C)(C)C2)ccc1C#N ZINC000488200642 393469388 /nfs/dbraw/zinc/46/93/88/393469388.db2.gz LEKUZLWINMBKLY-UHFFFAOYSA-N 0 3 260.406 3.194 20 30 CGEDHN CC[C@H]1CN(Cc2ccc(C#N)c(C)c2)CCS1 ZINC000488415988 393504648 /nfs/dbraw/zinc/50/46/48/393504648.db2.gz HXTMIJDHWPGMMC-HNNXBMFYSA-N 0 3 260.406 3.194 20 30 CGEDHN CC(C)(C)C[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000488681032 393544862 /nfs/dbraw/zinc/54/48/62/393544862.db2.gz FXRSMNXFMRKSDJ-MRXNPFEDSA-N 0 3 299.418 3.397 20 30 CGEDHN C#C[C@@H](CC)NCc1c(C)nc2scc(C3CC3)n12 ZINC000491661908 393697772 /nfs/dbraw/zinc/69/77/72/393697772.db2.gz LBFZMQXKWIDENS-LBPRGKRZSA-N 0 3 273.405 3.083 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCCSCC#N ZINC000425540500 393697911 /nfs/dbraw/zinc/69/79/11/393697911.db2.gz VOGGYPFJGJLACE-CYBMUJFWSA-N 0 3 273.405 3.198 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(CC)C2)CCCCC1 ZINC000448916713 393873168 /nfs/dbraw/zinc/87/31/68/393873168.db2.gz HSCIHXZCEKCDMS-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CC)C2)CCCCC1 ZINC000448916714 393873252 /nfs/dbraw/zinc/87/32/52/393873252.db2.gz HSCIHXZCEKCDMS-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN CCc1cc(OC)ccc1CNCc1cccc(C#N)c1 ZINC000501383604 393851469 /nfs/dbraw/zinc/85/14/69/393851469.db2.gz TUAMXDGEUOAMJY-UHFFFAOYSA-N 0 3 280.371 3.419 20 30 CGEDHN CO[C@@H]1C[C@H](N(C)Cc2cc(C#N)cs2)C12CCC2 ZINC000449627821 393926265 /nfs/dbraw/zinc/92/62/65/393926265.db2.gz AUTPICMDGZSDLG-UONOGXRCSA-N 0 3 276.405 3.009 20 30 CGEDHN CC[C@]1(C(C)C)C[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000453617926 394260094 /nfs/dbraw/zinc/26/00/94/394260094.db2.gz UEVNLJLRLWVBNR-DOTOQJQBSA-N 0 3 282.391 3.120 20 30 CGEDHN C=CCOc1cccc(CN2C[C@]3(C)COC[C@]3(C)C2)c1 ZINC000668516595 543022615 /nfs/dbraw/zinc/02/26/15/543022615.db2.gz VQCVNSBGSROGMW-HDICACEKSA-N 0 3 287.403 3.110 20 30 CGEDHN C=CCOc1ccccc1CN1CC(C2CCOCC2)C1 ZINC000669715533 543122184 /nfs/dbraw/zinc/12/21/84/543122184.db2.gz SZNUDSWXOYBZOS-UHFFFAOYSA-N 0 3 287.403 3.110 20 30 CGEDHN C=CCCCCN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649827423 397731200 /nfs/dbraw/zinc/73/12/00/397731200.db2.gz OBNDQZBJXDRJEO-SFHVURJKSA-N 0 3 272.436 3.201 20 30 CGEDHN C=C(C)CNCc1cccc(Br)c1F ZINC000394921231 397696384 /nfs/dbraw/zinc/69/63/84/397696384.db2.gz WTVITNXHKDHOCH-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000677802174 543466129 /nfs/dbraw/zinc/46/61/29/543466129.db2.gz FFZVMKYEBOQQBA-ZDUSSCGKSA-N 0 3 274.191 3.362 20 30 CGEDHN COCC#CCN(Cc1cccc(F)c1)C1CCCC1 ZINC000677818686 543468212 /nfs/dbraw/zinc/46/82/12/543468212.db2.gz FXAQXOFFSUMHNQ-UHFFFAOYSA-N 0 3 275.367 3.220 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1ccccc1OC(F)F ZINC000678743681 543552110 /nfs/dbraw/zinc/55/21/10/543552110.db2.gz HBLFYOXOKDOIAG-QWHCGFSZSA-N 0 3 285.334 3.266 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000678737316 543552161 /nfs/dbraw/zinc/55/21/61/543552161.db2.gz NZIQUKPXBJPOJH-GXFFZTMASA-N 0 3 289.297 3.173 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000678729352 543551402 /nfs/dbraw/zinc/55/14/02/543551402.db2.gz QWFZUESMFPTNQP-ZWNOBZJWSA-N 0 3 273.298 3.293 20 30 CGEDHN COc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000090107693 165229343 /nfs/dbraw/zinc/22/93/43/165229343.db2.gz DPIYIUFMAHDPOL-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000020121196 171000286 /nfs/dbraw/zinc/00/02/86/171000286.db2.gz NAZVKCGZZNWDEU-QWHCGFSZSA-N 0 3 251.333 3.365 20 30 CGEDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 ZINC000020146040 171031738 /nfs/dbraw/zinc/03/17/38/171031738.db2.gz HBJQENZZBMMWHZ-AWEZNQCLSA-N 0 3 279.387 3.475 20 30 CGEDHN CC[C@H]1CN(CCCOc2cccc(C#N)c2)CCS1 ZINC000127307880 287285425 /nfs/dbraw/zinc/28/54/25/287285425.db2.gz PPUUFHRQGABTHM-INIZCTEOSA-N 0 3 290.432 3.155 20 30 CGEDHN Cc1ccccc1CN(C)Cc1ccc(C#N)cc1 ZINC000038977785 174160802 /nfs/dbraw/zinc/16/08/02/174160802.db2.gz MCDBYCCMQDMOAV-UHFFFAOYSA-N 0 3 250.345 3.499 20 30 CGEDHN CCC1(CO)CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000127820489 287296982 /nfs/dbraw/zinc/29/69/82/287296982.db2.gz MYRAJLQDRNWQIQ-AWEZNQCLSA-N 0 3 272.392 3.104 20 30 CGEDHN C=C(C)CCN[C@@H](CCSC)c1nnc2ccccn21 ZINC000275033934 416524897 /nfs/dbraw/zinc/52/48/97/416524897.db2.gz AWUNUGBDEXVGIN-ZDUSSCGKSA-N 0 3 290.436 3.079 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000342734304 416541351 /nfs/dbraw/zinc/54/13/51/416541351.db2.gz JPYFFTDBAXNMIM-OLZOCXBDSA-N 0 3 294.826 3.414 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(SC)c(F)c1 ZINC000679576261 543648287 /nfs/dbraw/zinc/64/82/87/543648287.db2.gz LISZMWIXQLYZEE-LLVKDONJSA-N 0 3 269.385 3.401 20 30 CGEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2=O)c1ccccn1 ZINC000344739412 225146903 /nfs/dbraw/zinc/14/69/03/225146903.db2.gz NJLCIUZJFHOADU-HNNXBMFYSA-N 0 3 290.322 3.091 20 30 CGEDHN C=CCC[C@H](CC)NCc1nn(C)c2ccccc12 ZINC000680636556 543721859 /nfs/dbraw/zinc/72/18/59/543721859.db2.gz MTWBMLHLNCDPQQ-ZDUSSCGKSA-N 0 3 257.381 3.408 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(c2ccccc2C)CC1 ZINC000680433130 543711223 /nfs/dbraw/zinc/71/12/23/543711223.db2.gz OMKFBFKUOGFMLO-QGZVFWFLSA-N 0 3 259.393 3.111 20 30 CGEDHN CC[C@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000683041448 543892493 /nfs/dbraw/zinc/89/24/93/543892493.db2.gz KYYRUYSPVUIXCT-HNNXBMFYSA-N 0 3 297.320 3.216 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000684205605 543972627 /nfs/dbraw/zinc/97/26/27/543972627.db2.gz XPCJEDJYJMOMPX-SNVBAGLBSA-N 0 3 273.298 3.347 20 30 CGEDHN CCC#C[C@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000685599293 544088396 /nfs/dbraw/zinc/08/83/96/544088396.db2.gz LOFULCNXAVAURH-YJBOKZPZSA-N 0 3 283.415 3.472 20 30 CGEDHN C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000659019320 418956056 /nfs/dbraw/zinc/95/60/56/418956056.db2.gz YXTJYVMFFBZSRD-UHFFFAOYSA-N 0 3 287.407 3.199 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000654315588 418958523 /nfs/dbraw/zinc/95/85/23/418958523.db2.gz SXIIDOGELSRDAV-HOTGVXAUSA-N 0 3 290.451 3.256 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](N)c1ccccc1 ZINC000659328794 418976427 /nfs/dbraw/zinc/97/64/27/418976427.db2.gz IWFZAXGUPRXIFX-IXDOHACOSA-N 0 3 286.419 3.328 20 30 CGEDHN C=CCCC(C)(C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000664757998 419000476 /nfs/dbraw/zinc/00/04/76/419000476.db2.gz GIHJTEDHDIXYNS-OAHLLOKOSA-N 0 3 293.455 3.047 20 30 CGEDHN CC1(C)Cc2cccc(C(=O)C(C#N)c3ccccn3)c2O1 ZINC000654969684 419012072 /nfs/dbraw/zinc/01/20/72/419012072.db2.gz AYBVZBRYGQRCDD-AWEZNQCLSA-N 0 3 292.338 3.285 20 30 CGEDHN C=CCN(Cc1cc2ccccc2o1)[C@H](C)COC ZINC000661243667 419243934 /nfs/dbraw/zinc/24/39/34/419243934.db2.gz LQHGQMZRNGFMCJ-CYBMUJFWSA-N 0 3 259.349 3.456 20 30 CGEDHN C=CCN(Cc1cc(F)cc2cccnc21)[C@@H](C)COC ZINC000661243416 419244099 /nfs/dbraw/zinc/24/40/99/419244099.db2.gz KUJUAZMMNUSNKP-ZDUSSCGKSA-N 0 3 288.366 3.397 20 30 CGEDHN C=CCN(C[C@H]1CCC2(CCCC2)O1)[C@H](C)COC ZINC000661241438 419244728 /nfs/dbraw/zinc/24/47/28/419244728.db2.gz YFGODUQAFALRBA-HUUCEWRRSA-N 0 3 267.413 3.001 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2c(C)nc3ccccn32)C1 ZINC000661381215 419255353 /nfs/dbraw/zinc/25/53/53/419255353.db2.gz XRWQXCGMCHRTDA-HNNXBMFYSA-N 0 3 269.392 3.431 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000661378197 419255940 /nfs/dbraw/zinc/25/59/40/419255940.db2.gz ADOOTZQLTADSSP-RDJZCZTQSA-N 0 3 286.419 3.104 20 30 CGEDHN C=CCCOCCNCc1ccc(OCC)cc1C ZINC000657419835 419274143 /nfs/dbraw/zinc/27/41/43/419274143.db2.gz YRFCNCCEBKMERV-UHFFFAOYSA-N 0 3 263.381 3.076 20 30 CGEDHN C=CCCn1cc(CNCC[C@H](C)CC(C)(C)C)nn1 ZINC000657442281 419279544 /nfs/dbraw/zinc/27/95/44/419279544.db2.gz REQOCDULPFLNRE-AWEZNQCLSA-N 0 3 278.444 3.406 20 30 CGEDHN C=CCCCNCc1cc(F)ccc1OC(F)F ZINC000657453831 419282580 /nfs/dbraw/zinc/28/25/80/419282580.db2.gz DIZHRCSUDFDCKI-UHFFFAOYSA-N 0 3 259.271 3.483 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@@H](C)[C@@H]2C)nn1 ZINC000657454314 419282740 /nfs/dbraw/zinc/28/27/40/419282740.db2.gz KMQYHQTXBCMNQL-ILXRZTDVSA-N 0 3 276.428 3.016 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H]1CCN1C(C)(C)C ZINC000657523850 419297114 /nfs/dbraw/zinc/29/71/14/419297114.db2.gz LIPZDMINFCHQDK-MRXNPFEDSA-N 0 3 288.435 3.214 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(C2CCC2)nn1 ZINC000657530047 419299800 /nfs/dbraw/zinc/29/98/00/419299800.db2.gz LWTVPRZCOTUJMH-BBRMVZONSA-N 0 3 274.412 3.228 20 30 CGEDHN Cc1cc(CN[C@@H](CCCC#N)c2ccccc2)n(C)n1 ZINC000418071383 228003589 /nfs/dbraw/zinc/00/35/89/228003589.db2.gz WGDLSPJZLNXDCZ-KRWDZBQOSA-N 0 3 282.391 3.253 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(OCC)n1 ZINC000662091296 419334623 /nfs/dbraw/zinc/33/46/23/419334623.db2.gz WTXLKIZMYFXZJZ-GASCZTMLSA-N 0 3 258.365 3.163 20 30 CGEDHN C=CCNC(=O)CN(C(C)C)[C@@H](CC)c1ccccc1 ZINC000662109669 419336271 /nfs/dbraw/zinc/33/62/71/419336271.db2.gz ZOUGJKACEYEDCL-INIZCTEOSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCCn2ccnc21 ZINC000658061055 419535790 /nfs/dbraw/zinc/53/57/90/419535790.db2.gz SCWXCELPGGNDHT-KFWWJZLASA-N 0 3 259.397 3.443 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1snnc1C ZINC000658020617 419497326 /nfs/dbraw/zinc/49/73/26/419497326.db2.gz AFLYLKZTZAMLPV-VXGBXAGGSA-N 0 3 251.399 3.071 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000658027425 419502886 /nfs/dbraw/zinc/50/28/86/419502886.db2.gz NATYSVRQJRZWGD-STQMWFEESA-N 0 3 262.401 3.153 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000658207305 419657149 /nfs/dbraw/zinc/65/71/49/419657149.db2.gz UTJPUGQGERONOZ-HNNXBMFYSA-N 0 3 299.418 3.330 20 30 CGEDHN C=CC[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000116927597 260006929 /nfs/dbraw/zinc/00/69/29/260006929.db2.gz PONYHJSEHHOGBQ-VIFPVBQESA-N 0 3 254.717 3.302 20 30 CGEDHN C#CCOc1ccccc1CNCc1ccc(N(C)C)cc1 ZINC000078422274 260167079 /nfs/dbraw/zinc/16/70/79/260167079.db2.gz MXLVTTRJFQYNHJ-UHFFFAOYSA-N 0 3 294.398 3.054 20 30 CGEDHN CC(C)(C#N)CCCN1CCN(c2ccccc2)CC1 ZINC000087608410 260215406 /nfs/dbraw/zinc/21/54/06/260215406.db2.gz GFVNDYULFGQURU-UHFFFAOYSA-N 0 3 271.408 3.139 20 30 CGEDHN COc1cccc([C@H]2C[C@H](C)CN2CCCC#N)c1 ZINC000360464450 261064367 /nfs/dbraw/zinc/06/43/67/261064367.db2.gz CEAGBUAIQIMSCS-XJKSGUPXSA-N 0 3 258.365 3.382 20 30 CGEDHN CC(C)(C)[C@H]1CN(CC(C)(C)CCC#N)CCO1 ZINC000448364077 261127823 /nfs/dbraw/zinc/12/78/23/261127823.db2.gz SNMVDWPIIOQKBJ-CYBMUJFWSA-N 0 3 252.402 3.063 20 30 CGEDHN COc1ccc(OC)c([C@H](C)NCCCCC#N)c1 ZINC000183674198 261984430 /nfs/dbraw/zinc/98/44/30/261984430.db2.gz VNZNENIXVIMEOF-LBPRGKRZSA-N 0 3 262.353 3.048 20 30 CGEDHN CO[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@@H]1C ZINC000189275599 262170422 /nfs/dbraw/zinc/17/04/22/262170422.db2.gz DEXPWRHBGUIXHO-YOEHRIQHSA-N 0 3 286.419 3.345 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OC(F)F)cc2)C1 ZINC000192607286 262206027 /nfs/dbraw/zinc/20/60/27/262206027.db2.gz JCUXXALGKJHVBJ-QWHCGFSZSA-N 0 3 280.318 3.460 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000527482109 269887597 /nfs/dbraw/zinc/88/75/97/269887597.db2.gz HQRMATSGCIJDFN-FRRDWIJNSA-N 0 3 260.406 3.445 20 30 CGEDHN Cc1[nH]c2ccc(CNCc3cc(C#N)n(C)c3)cc2c1C ZINC000359963108 269900364 /nfs/dbraw/zinc/90/03/64/269900364.db2.gz IUPZNUSDHINZLD-UHFFFAOYSA-N 0 3 292.386 3.285 20 30 CGEDHN C[C@@H]([NH2+]CCCC#N)c1cc2c(cc1[O-])CCCC2 ZINC000273443910 263017005 /nfs/dbraw/zinc/01/70/05/263017005.db2.gz NIXPFUOPAJDBAR-GFCCVEGCSA-N 0 3 258.365 3.225 20 30 CGEDHN CN(CCOc1cccc(Cl)c1)[C@H]1CC[C@H](C#N)C1 ZINC000278525508 263048706 /nfs/dbraw/zinc/04/87/06/263048706.db2.gz DEMRRKQZUUTQHO-JSGCOSHPSA-N 0 3 278.783 3.343 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000278724924 263050072 /nfs/dbraw/zinc/05/00/72/263050072.db2.gz VHPMDZPDBFRVKQ-MRAWALMUSA-N 0 3 298.386 3.191 20 30 CGEDHN COC[C@H](NCCCCC(C)(C)C#N)c1ccco1 ZINC000278739749 263050427 /nfs/dbraw/zinc/05/04/27/263050427.db2.gz LQJGVBPRJGVSBX-ZDUSSCGKSA-N 0 3 264.369 3.277 20 30 CGEDHN CC1(C)CCN(Cc2ccc(OCC#N)cc2)CCS1 ZINC000279699523 263056852 /nfs/dbraw/zinc/05/68/52/263056852.db2.gz IQUQWLHXDWEPGF-UHFFFAOYSA-N 0 3 290.432 3.306 20 30 CGEDHN CCc1nn(C)c(Cl)c1CNCC1CCC(C#N)CC1 ZINC000282468003 263077026 /nfs/dbraw/zinc/07/70/26/263077026.db2.gz ULYXIOQXBFAUPK-UHFFFAOYSA-N 0 3 294.830 3.055 20 30 CGEDHN COc1cc([C@@H](C)NCC2CCC(C#N)CC2)c(F)cn1 ZINC000286859586 263099994 /nfs/dbraw/zinc/09/99/94/263099994.db2.gz AZEAQBREKYFMIL-PNESKVBLSA-N 0 3 291.370 3.210 20 30 CGEDHN CSC[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000292491975 263132768 /nfs/dbraw/zinc/13/27/68/263132768.db2.gz TUUQEBYVVQLWCU-HNNXBMFYSA-N 0 3 290.432 3.164 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](c3ccccc3F)C2)C1 ZINC000293133408 263138135 /nfs/dbraw/zinc/13/81/35/263138135.db2.gz PVLJQYAEVBAYMY-RDBSUJKOSA-N 0 3 258.340 3.307 20 30 CGEDHN C=C(CNCc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000340437168 263147389 /nfs/dbraw/zinc/14/73/89/263147389.db2.gz NWMCQPGUHVRFLU-UHFFFAOYSA-N 0 3 280.371 3.448 20 30 CGEDHN C=C(CNCc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000340437684 263147805 /nfs/dbraw/zinc/14/78/05/263147805.db2.gz YPHBCBKHLJMANH-UHFFFAOYSA-N 0 3 290.370 3.070 20 30 CGEDHN CC[C@H](c1cccc(OC)c1)N(C)CCOCCC#N ZINC000293719351 263147817 /nfs/dbraw/zinc/14/78/17/263147817.db2.gz YJJNDFKVOQRVEM-MRXNPFEDSA-N 0 3 276.380 3.008 20 30 CGEDHN CC[C@H](NCCOCCC#N)c1ccccc1OC(F)F ZINC000293873247 263151558 /nfs/dbraw/zinc/15/15/58/263151558.db2.gz SUNBKUXDGNLVOQ-ZDUSSCGKSA-N 0 3 298.333 3.259 20 30 CGEDHN CCC[C@@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000294697640 263166396 /nfs/dbraw/zinc/16/63/96/263166396.db2.gz UGTUHQXZJWGQAG-OAHLLOKOSA-N 0 3 282.334 3.326 20 30 CGEDHN C=CCN(CCc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000298305314 263217358 /nfs/dbraw/zinc/21/73/58/263217358.db2.gz YHFYUPHXDAUDTC-IRXDYDNUSA-N 0 3 254.377 3.409 20 30 CGEDHN Cc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000298559221 263222096 /nfs/dbraw/zinc/22/20/96/263222096.db2.gz HSGRTRZKIBMKSY-UHFFFAOYSA-N 0 3 294.402 3.030 20 30 CGEDHN COc1cc(C)c([C@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000299561599 263247534 /nfs/dbraw/zinc/24/75/34/263247534.db2.gz GUFDTUQQDZRQOY-STQMWFEESA-N 0 3 276.380 3.355 20 30 CGEDHN C=CCCOCCNCc1ccc(SC)cc1 ZINC000120803791 263288785 /nfs/dbraw/zinc/28/87/85/263288785.db2.gz NSWAFOPGJGRZAB-UHFFFAOYSA-N 0 3 251.395 3.091 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](CC)c1ccc(F)cc1F ZINC000341877692 263361361 /nfs/dbraw/zinc/36/13/61/263361361.db2.gz MHVYYLHYNDQNHO-IAQYHMDHSA-N 0 3 269.335 3.190 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](CC)c1cc(F)ccc1F ZINC000341873960 263361387 /nfs/dbraw/zinc/36/13/87/263361387.db2.gz FYWGTXCCKYKTAN-XHDPSFHLSA-N 0 3 269.335 3.190 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1cc(F)ccc1F ZINC000341873951 263361612 /nfs/dbraw/zinc/36/16/12/263361612.db2.gz FYWGTXCCKYKTAN-ABAIWWIYSA-N 0 3 269.335 3.190 20 30 CGEDHN C=C1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000341997579 263373636 /nfs/dbraw/zinc/37/36/36/263373636.db2.gz UPEFWTDNRRVGPV-UHFFFAOYSA-N 0 3 289.404 3.383 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000342006704 263377190 /nfs/dbraw/zinc/37/71/90/263377190.db2.gz PKESSRGJTDJOGT-UHFFFAOYSA-N 0 3 278.783 3.321 20 30 CGEDHN COCC1(C#N)CCN(CCSC2CCCCC2)CC1 ZINC000341984592 263379987 /nfs/dbraw/zinc/37/99/87/263379987.db2.gz DISGOTGNJLTQRY-UHFFFAOYSA-N 0 3 296.480 3.304 20 30 CGEDHN Cc1cc2cc(CN[C@H]3CC[C@@H](C#N)C3)ccc2[nH]1 ZINC000334420912 263620751 /nfs/dbraw/zinc/62/07/51/263620751.db2.gz QOWAMLZINRJWKH-DOMZBBRYSA-N 0 3 253.349 3.258 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](CO)[C@H]2C)cc1Cl ZINC000425962748 264227878 /nfs/dbraw/zinc/22/78/78/264227878.db2.gz JBZWPDLLGASGSR-TZMCWYRMSA-N 0 3 295.810 3.108 20 30 CGEDHN N#CC(C(=O)c1ccc(Cl)c(F)c1)c1ccccn1 ZINC000161936299 264301889 /nfs/dbraw/zinc/30/18/89/264301889.db2.gz BFCVGXKFIJOGDQ-SNVBAGLBSA-N 0 3 274.682 3.364 20 30 CGEDHN C=CCC[C@@H](O)CN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000129528727 264323662 /nfs/dbraw/zinc/32/36/62/264323662.db2.gz VGHOFARZSGAICO-OIISXLGYSA-N 0 3 291.460 3.492 20 30 CGEDHN C=CCC[C@@H](NCC(=O)N[C@@H](C)CC)c1ccccc1 ZINC000180043410 264394534 /nfs/dbraw/zinc/39/45/34/264394534.db2.gz NJECMOBJRHYYBY-GOEBONIOSA-N 0 3 274.408 3.198 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cn1)[C@@H]1CCC[C@@H](C)C1 ZINC000521062879 270100184 /nfs/dbraw/zinc/10/01/84/270100184.db2.gz BWIZPGYNRHPSSL-VNHYZAJKSA-N 0 3 257.381 3.258 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc3cc(F)ccc3o2)CC1 ZINC000114449783 266275116 /nfs/dbraw/zinc/27/51/16/266275116.db2.gz DKERUIMMUJXLFK-UHFFFAOYSA-N 0 3 289.354 3.419 20 30 CGEDHN C=C(CNCc1ccc(N(C)CC)nc1)c1ccccc1 ZINC000359727248 266629921 /nfs/dbraw/zinc/62/99/21/266629921.db2.gz GNCJDFULXNFHCY-UHFFFAOYSA-N 0 3 281.403 3.341 20 30 CGEDHN CC(C)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301341045 273533099 /nfs/dbraw/zinc/53/30/99/273533099.db2.gz QGUCUCIJBBMSMB-UHFFFAOYSA-N 0 3 297.324 3.107 20 30 CGEDHN C[C@@H](CC(F)(F)F)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353630231 274207340 /nfs/dbraw/zinc/20/73/40/274207340.db2.gz IRYRVICTIFUOSH-ZANVPECISA-N 0 3 268.282 3.476 20 30 CGEDHN C[C@@H](N[C@H]1COc2ccc(F)cc2C1)c1ccc(C#N)cc1 ZINC000290167813 274263988 /nfs/dbraw/zinc/26/39/88/274263988.db2.gz DQEQZELTSKCECT-SJKOYZFVSA-N 0 3 296.345 3.352 20 30 CGEDHN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000336078048 274525564 /nfs/dbraw/zinc/52/55/64/274525564.db2.gz XASDLPKEQFMNEW-UGSOOPFHSA-N 0 3 294.402 3.410 20 30 CGEDHN COc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1C#N ZINC000174318857 277899884 /nfs/dbraw/zinc/89/98/84/277899884.db2.gz NOOKKRWUCICMCM-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccccc1-n1cccn1 ZINC000345960229 278342641 /nfs/dbraw/zinc/34/26/41/278342641.db2.gz PIJHBURAFCZDEG-CQSZACIVSA-N 0 3 282.391 3.463 20 30 CGEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccnc1 ZINC000335184604 278375366 /nfs/dbraw/zinc/37/53/66/278375366.db2.gz MRHXOGTYRIVERE-SJKOYZFVSA-N 0 3 263.344 3.291 20 30 CGEDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356418992 280062472 /nfs/dbraw/zinc/06/24/72/280062472.db2.gz GTOQYUSZDLZQPB-QMTHXVAHSA-N 0 3 298.308 3.234 20 30 CGEDHN Cc1cccc(C)c1OCCCNCc1ccc(C#N)o1 ZINC000540583193 288660947 /nfs/dbraw/zinc/66/09/47/288660947.db2.gz HGWXUBLCDDDEAD-UHFFFAOYSA-N 0 3 284.359 3.327 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000343656205 289236523 /nfs/dbraw/zinc/23/65/23/289236523.db2.gz JGCDTSLLLMGBJP-GMSGAONNSA-N 0 3 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C#C[C@H](CC)N[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000491667229 332275553 /nfs/dbraw/zinc/27/55/53/332275553.db2.gz HXYTZJWJIKAXTG-CHWSQXEVSA-N 0 3 292.810 3.367 20 30 CGEDHN C=CCC[C@H](NCCOC[C@@H]1CCCO1)c1ccco1 ZINC000520937404 333107772 /nfs/dbraw/zinc/10/77/72/333107772.db2.gz PXCGPHJWKDGBFD-GJZGRUSLSA-N 0 3 279.380 3.072 20 30 CGEDHN C=CCSCCNCc1nc2ccccc2n1CCC ZINC000217800007 333123767 /nfs/dbraw/zinc/12/37/67/333123767.db2.gz JYOVGRVWHFDECN-UHFFFAOYSA-N 0 3 289.448 3.455 20 30 CGEDHN C=CCC[C@H](CC)NCc1nc2cc(OC)ccc2n1C ZINC000186545100 333162468 /nfs/dbraw/zinc/16/24/68/333162468.db2.gz ADXOFLRRGGQHDU-ZDUSSCGKSA-N 0 3 287.407 3.416 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000223003360 333203187 /nfs/dbraw/zinc/20/31/87/333203187.db2.gz XVUZGECJGXQNEN-HZSPNIEDSA-N 0 3 295.427 3.104 20 30 CGEDHN C=CCCCCCN(C)C(=O)NCCN1CCC(C)CC1 ZINC000523569861 333333349 /nfs/dbraw/zinc/33/33/49/333333349.db2.gz GUOZGTCPRGZOII-UHFFFAOYSA-N 0 3 295.471 3.106 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2cc(C)ccn2)CC1 ZINC000538148197 333576510 /nfs/dbraw/zinc/57/65/10/333576510.db2.gz RPNSIAMBAMFUPZ-MRXNPFEDSA-N 0 3 273.424 3.257 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000539197164 333660392 /nfs/dbraw/zinc/66/03/92/333660392.db2.gz PQKBQZBGSBJIOS-MRXNPFEDSA-N 0 3 283.419 3.425 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H](C)C1)C(C)C ZINC000539560426 333678936 /nfs/dbraw/zinc/67/89/36/333678936.db2.gz JHQFLULEUVFDNO-GVDBMIGSSA-N 0 3 292.467 3.237 20 30 CGEDHN C=C(C)COCCNCc1cnc(-c2ccccc2)s1 ZINC000134507154 334092528 /nfs/dbraw/zinc/09/25/28/334092528.db2.gz WAFAQXOMTSBLLA-UHFFFAOYSA-N 0 3 288.416 3.492 20 30 CGEDHN C=CCC(C)(C)CNCc1cn(-c2ccccc2C)nn1 ZINC000550229937 334216957 /nfs/dbraw/zinc/21/69/57/334216957.db2.gz TVBWUMKTPCFBNQ-UHFFFAOYSA-N 0 3 284.407 3.268 20 30 CGEDHN C=C(C)CN1CCC(Nc2nc(CC)cc(CC)n2)CC1 ZINC000553407887 334382939 /nfs/dbraw/zinc/38/29/39/334382939.db2.gz DFEGCRMVEPFHMZ-UHFFFAOYSA-N 0 3 288.439 3.054 20 30 CGEDHN N#CCC[C@@H](C#N)CNCCCc1c[nH]c2ccccc12 ZINC000554551468 334437371 /nfs/dbraw/zinc/43/73/71/334437371.db2.gz KNGRUEOZRYJYNW-AWEZNQCLSA-N 0 3 280.375 3.134 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cc(C(=O)OC)c(CC)o1 ZINC000555314473 334474369 /nfs/dbraw/zinc/47/43/69/334474369.db2.gz AKYIJFKWICXKIG-GFCCVEGCSA-N 0 3 279.380 3.463 20 30 CGEDHN C=CCCCCCN[C@H](CO)c1ccccc1OC ZINC000569297501 334865705 /nfs/dbraw/zinc/86/57/05/334865705.db2.gz CQRNOSGMUJFGQP-OAHLLOKOSA-N 0 3 263.381 3.065 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000576870059 335257958 /nfs/dbraw/zinc/25/79/58/335257958.db2.gz KMOMQQXLNBVVPL-AEFFLSMTSA-N 0 3 287.378 3.068 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000177708646 335380388 /nfs/dbraw/zinc/38/03/88/335380388.db2.gz BASSOBJVAGUBKQ-HUUCEWRRSA-N 0 3 286.404 3.090 20 30 CGEDHN Cc1ccc(O[C@H](C)CNCc2cc(C#N)cs2)cc1 ZINC000177707218 335380604 /nfs/dbraw/zinc/38/06/04/335380604.db2.gz RKTKTIXMNSSANQ-CYBMUJFWSA-N 0 3 286.400 3.485 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](OC)[C@H](C)CC ZINC000381398120 336061447 /nfs/dbraw/zinc/06/14/47/336061447.db2.gz PBOCGCPVVKHHIZ-RHSMWYFYSA-N 0 3 277.408 3.402 20 30 CGEDHN Cc1ccc(C2(CNC(=O)C(C)C#N)CCCC2)c(C)c1 ZINC000581569320 336104463 /nfs/dbraw/zinc/10/44/63/336104463.db2.gz XCFHSIYJZRRWIZ-OAHLLOKOSA-N 0 3 284.403 3.391 20 30 CGEDHN CC[C@H](CC#N)NCCCOc1cccc(Cl)c1 ZINC000582011671 336191869 /nfs/dbraw/zinc/19/18/69/336191869.db2.gz KBYNRRHPRQHUQC-CYBMUJFWSA-N 0 3 266.772 3.391 20 30 CGEDHN Cc1cc(CN[C@@H]2C[C@H]2c2ccco2)ccc1C#N ZINC000414598382 533725834 /nfs/dbraw/zinc/72/58/34/533725834.db2.gz YCHAKXYIPMIQLF-HUUCEWRRSA-N 0 3 252.317 3.105 20 30 CGEDHN COc1ccccc1C[C@@H](NCC1(C#N)CC1)C(C)C ZINC000348277733 534108150 /nfs/dbraw/zinc/10/81/50/534108150.db2.gz HJZHYHGIIMCXBM-OAHLLOKOSA-N 0 3 272.392 3.156 20 30 CGEDHN C[C@@H](F)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000375713264 534276154 /nfs/dbraw/zinc/27/61/54/534276154.db2.gz BQDUSIZHCASGMR-CYBMUJFWSA-N 0 3 276.355 3.150 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000334672830 534283464 /nfs/dbraw/zinc/28/34/64/534283464.db2.gz MPVZGAKITKRFGW-RQJHMYQMSA-N 0 3 289.137 3.469 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000347441812 534284419 /nfs/dbraw/zinc/28/44/19/534284419.db2.gz CAAOEIMZDQMJLQ-OUAUKWLOSA-N 0 3 298.308 3.473 20 30 CGEDHN C=CCCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000183488223 518702170 /nfs/dbraw/zinc/70/21/70/518702170.db2.gz CHOSJNFVSHOSLI-LLVKDONJSA-N 0 3 267.344 3.460 20 30 CGEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccc(C)cc2)s1 ZINC000184272475 519104502 /nfs/dbraw/zinc/10/45/02/519104502.db2.gz IXFGQOQANBCYIQ-AWEZNQCLSA-N 0 3 288.416 3.145 20 30 CGEDHN C=CC[C@H](CO)NCc1cc(Cl)c(OC)cc1Cl ZINC000184276135 519117745 /nfs/dbraw/zinc/11/77/45/519117745.db2.gz PVQYUUJZUYURIV-SNVBAGLBSA-N 0 3 290.190 3.029 20 30 CGEDHN Cc1nc(NCCN2CCC[C@H](C)C2)c(Cl)cc1C#N ZINC000359871411 534490235 /nfs/dbraw/zinc/49/02/35/534490235.db2.gz GNCPSYIMXIQYFF-NSHDSACASA-N 0 3 292.814 3.059 20 30 CGEDHN CC[C@@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000157569927 523249002 /nfs/dbraw/zinc/24/90/02/523249002.db2.gz UCTFQJOUFFPMCI-CQSZACIVSA-N 0 3 288.391 3.068 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OCC3CC3)nc2)C1 ZINC000192790579 534748255 /nfs/dbraw/zinc/74/82/55/534748255.db2.gz WSMHXBKNVDFFSV-GOEBONIOSA-N 0 3 285.391 3.042 20 30 CGEDHN COc1ccc(CNCc2ccc(C)s2)cc1C#N ZINC000087824120 524073012 /nfs/dbraw/zinc/07/30/12/524073012.db2.gz YVKNZDSGGJUDPU-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN N#Cc1c(CN2CC[C@@H]3CCC[C@H]32)cn2ccccc12 ZINC000426486228 534761811 /nfs/dbraw/zinc/76/18/11/534761811.db2.gz LAEHHMIUYZLBND-XJKSGUPXSA-N 0 3 265.360 3.185 20 30 CGEDHN Cc1nc(C)c(CNC(=O)[C@@H]2CCCN2C2CCCC2)o1 ZINC000329162041 534881547 /nfs/dbraw/zinc/88/15/47/534881547.db2.gz FWKWACBDEBLQHR-AWEZNQCLSA-N 0 3 291.395 3.155 20 30 CGEDHN C=C(C)CCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000351992518 526446268 /nfs/dbraw/zinc/44/62/68/526446268.db2.gz DERGHAHJSYVUIB-AWEZNQCLSA-N 0 3 264.438 3.393 20 30 CGEDHN N#Cc1ccc(CN(C[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000299368836 526609381 /nfs/dbraw/zinc/60/93/81/526609381.db2.gz KINJEPYWLRFNLL-IBGZPJMESA-N 0 3 292.382 3.256 20 30 CGEDHN C=CCNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352246802 526663462 /nfs/dbraw/zinc/66/34/62/526663462.db2.gz SKGLNBBAOBRXEN-UHFFFAOYSA-N 0 3 281.281 3.167 20 30 CGEDHN C=CCCCN[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000344588433 527233753 /nfs/dbraw/zinc/23/37/53/527233753.db2.gz IHAAYCBSGKFAIY-MRXNPFEDSA-N 0 3 274.408 3.152 20 30 CGEDHN C=CCC[C@H](NCC[C@@H](C)[S@@](C)=O)c1ccco1 ZINC000353612500 527483453 /nfs/dbraw/zinc/48/34/53/527483453.db2.gz JONDUGJJMRQTCP-FHSNZYRGSA-N 0 3 269.410 3.034 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCn2ccnc2C1)c1ccco1 ZINC000353675720 527488192 /nfs/dbraw/zinc/48/81/92/527488192.db2.gz WCYQMMHEOSYTDB-KBPBESRZSA-N 0 3 271.364 3.088 20 30 CGEDHN C/C(=C\c1ccccc1)CN(C)Cc1cc(C#N)n(C)c1 ZINC000426372794 527533255 /nfs/dbraw/zinc/53/32/55/527533255.db2.gz PNXAWUNILHRIHW-OQLLNIDSSA-N 0 3 279.387 3.432 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000439459262 529182169 /nfs/dbraw/zinc/18/21/69/529182169.db2.gz VUOXUYNGQYKJNB-HUUCEWRRSA-N 0 3 278.783 3.259 20 30 CGEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000486798019 535656801 /nfs/dbraw/zinc/65/68/01/535656801.db2.gz FLCQYQHJHUARKM-YOEHRIQHSA-N 0 3 299.418 3.397 20 30 CGEDHN CCN(CC)c1ccc(C=NNC2CCCC2)c(O)c1 ZINC000727652701 571760991 /nfs/dbraw/zinc/76/09/91/571760991.db2.gz VLEOPANBUHTLRS-UHFFFAOYSA-N 0 3 275.396 3.105 20 30 CGEDHN CS[C@@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000728765171 571818573 /nfs/dbraw/zinc/81/85/73/571818573.db2.gz ZVKBTYUXQGMXNO-IUCAKERBSA-N 0 3 276.386 3.224 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)o1)c1cccc(F)c1 ZINC000742369345 572568787 /nfs/dbraw/zinc/56/87/87/572568787.db2.gz VYRZVFUZAUYAKV-LLVKDONJSA-N 0 3 258.296 3.184 20 30 CGEDHN C=CCN(CCOc1ccccc1OCC)C(C)C ZINC000743841798 572686767 /nfs/dbraw/zinc/68/67/67/572686767.db2.gz XKYWBPIUWVCQOX-UHFFFAOYSA-N 0 3 263.381 3.361 20 30 CGEDHN C#CCOc1ccccc1CNCCc1ccc(C)cc1 ZINC000734847825 572687152 /nfs/dbraw/zinc/68/71/52/572687152.db2.gz WQFMGWYFAQAHIA-UHFFFAOYSA-N 0 3 279.383 3.339 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C\C(C)(C)C)C(C)C ZINC000735054581 572699053 /nfs/dbraw/zinc/69/90/53/572699053.db2.gz UQJHKROWCMKINF-SNGWPZLWSA-N 0 3 292.467 3.404 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC(C)(C)C)nc21 ZINC000735793825 572742182 /nfs/dbraw/zinc/74/21/82/572742182.db2.gz ZVGHTNGILOUIIO-LLVKDONJSA-N 0 3 269.348 3.484 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CC(C)(C)C)[nH]c21 ZINC000735793825 572742183 /nfs/dbraw/zinc/74/21/83/572742183.db2.gz ZVGHTNGILOUIIO-LLVKDONJSA-N 0 3 269.348 3.484 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1csc2ccccc21 ZINC000736675283 572804726 /nfs/dbraw/zinc/80/47/26/572804726.db2.gz ZGRXCJARTMRLDN-VHSXEESVSA-N 0 3 258.346 3.238 20 30 CGEDHN COc1ccc(CNCc2cccc3cc[nH]c32)cc1C#N ZINC000746733914 572894065 /nfs/dbraw/zinc/89/40/65/572894065.db2.gz MDHOYRULPYUINK-UHFFFAOYSA-N 0 3 291.354 3.338 20 30 CGEDHN Fc1ccc(C#CCN2CCC3(CCCC3)C2)cc1 ZINC000747620235 572936708 /nfs/dbraw/zinc/93/67/08/572936708.db2.gz YDXCFVCPHDBCSL-UHFFFAOYSA-N 0 3 257.352 3.443 20 30 CGEDHN Cc1cc(N(C)C)ccc1CNCc1cc(C#N)cs1 ZINC000748099244 572960190 /nfs/dbraw/zinc/96/01/90/572960190.db2.gz KFBAURSVSTURAL-UHFFFAOYSA-N 0 3 285.416 3.284 20 30 CGEDHN C1CCC(NN=C2CCCC[C@H]2N2CCCCC2)C1 ZINC000748788049 572984087 /nfs/dbraw/zinc/98/40/87/572984087.db2.gz LKXYVISCELHZNM-MRXNPFEDSA-N 0 3 263.429 3.303 20 30 CGEDHN CC(C)CON=C1CCN(CCc2ccccc2)CC1 ZINC000749626307 573025730 /nfs/dbraw/zinc/02/57/30/573025730.db2.gz PKXKNXPUPKXKNY-UHFFFAOYSA-N 0 3 274.408 3.354 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894039 608487758 /nfs/dbraw/zinc/48/77/58/608487758.db2.gz FTUFYTRTEPOUPR-OLZOCXBDSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894039 608487761 /nfs/dbraw/zinc/48/77/61/608487761.db2.gz FTUFYTRTEPOUPR-OLZOCXBDSA-N 0 3 285.395 3.262 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819729107 607085314 /nfs/dbraw/zinc/08/53/14/607085314.db2.gz CLXBGMBXRYZLFV-RWMBFGLXSA-N 0 3 285.395 3.118 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819729107 607085315 /nfs/dbraw/zinc/08/53/15/607085315.db2.gz CLXBGMBXRYZLFV-RWMBFGLXSA-N 0 3 285.395 3.118 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823888622 609249519 /nfs/dbraw/zinc/24/95/19/609249519.db2.gz RXCNBEKLYFYQBB-STQMWFEESA-N 0 3 297.406 3.046 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823888622 609249520 /nfs/dbraw/zinc/24/95/20/609249520.db2.gz RXCNBEKLYFYQBB-STQMWFEESA-N 0 3 297.406 3.046 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964770923 613325655 /nfs/dbraw/zinc/32/56/55/613325655.db2.gz JNLKWWVQYOIWFE-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974491310 613337658 /nfs/dbraw/zinc/33/76/58/613337658.db2.gz JTXUBZZJWOYLBX-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972774018 613338622 /nfs/dbraw/zinc/33/86/22/613338622.db2.gz LLESWOAVGMOIMP-MRXNPFEDSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)C)C[C@@H]2C1 ZINC000980226190 613381576 /nfs/dbraw/zinc/38/15/76/613381576.db2.gz PGYKGSQQSVGJRM-BFHYXJOUSA-N 0 3 298.858 3.002 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451411 613495224 /nfs/dbraw/zinc/49/52/24/613495224.db2.gz SDTCIAYQFNUFDS-WMZOPIPTSA-N 0 3 292.467 3.313 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2CN(CC(=C)C)CC[C@@H]2C)cc1 ZINC000968339415 613515723 /nfs/dbraw/zinc/51/57/23/613515723.db2.gz GWFPOQNJQRNTBI-YJBOKZPZSA-N 0 3 298.430 3.346 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000980565991 613629129 /nfs/dbraw/zinc/62/91/29/613629129.db2.gz GVDFKVDMGWOMHH-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000972613865 613632352 /nfs/dbraw/zinc/63/23/52/613632352.db2.gz CVDBSZNYIDCYDK-ULQDDVLXSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)oc3ccccc32)C1 ZINC000971596989 613634741 /nfs/dbraw/zinc/63/47/41/613634741.db2.gz MUKYJZHFZLYMEQ-AWEZNQCLSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000968946810 613684091 /nfs/dbraw/zinc/68/40/91/613684091.db2.gz IHESAXFGHFFNPE-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000969121854 613686022 /nfs/dbraw/zinc/68/60/22/613686022.db2.gz PILULQPSISVNBC-ULQDDVLXSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000941226218 613741927 /nfs/dbraw/zinc/74/19/27/613741927.db2.gz MJJLRCYFGHXVCB-MRXNPFEDSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cscc2Cl)C[C@H]1C ZINC000947427309 613760455 /nfs/dbraw/zinc/76/04/55/613760455.db2.gz ZZGUIOAPLNNQFM-GHMZBOCLSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000941052239 613789805 /nfs/dbraw/zinc/78/98/05/613789805.db2.gz OKBSGLCZUDFXMP-KRWDZBQOSA-N 0 3 298.430 3.346 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)C[C@H]1C ZINC000947997983 613790850 /nfs/dbraw/zinc/79/08/50/613790850.db2.gz HFXCZLXITWJCKK-MNOVXSKESA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2coc3ccccc23)C[C@H]1C ZINC000948093781 613798301 /nfs/dbraw/zinc/79/83/01/613798301.db2.gz AKDXTZWQHLZKTR-KGLIPLIRSA-N 0 3 298.386 3.202 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001021102452 617896730 /nfs/dbraw/zinc/89/67/30/617896730.db2.gz LFNHTSUOJVYQQO-GVARAGBVSA-N 0 3 298.858 3.048 20 30 CGEDHN CC(C)(C#N)CCN[C@]1(C)CCOc2ccccc21 ZINC000933376042 618222394 /nfs/dbraw/zinc/22/23/94/618222394.db2.gz VXLHMXALGJUKMZ-MRXNPFEDSA-N 0 3 258.365 3.214 20 30 CGEDHN C=CC1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900655761 620804939 /nfs/dbraw/zinc/80/49/39/620804939.db2.gz LMZGYYWFMFDZJT-UHFFFAOYSA-N 0 3 297.402 3.329 20 30 CGEDHN C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc([O-])cc(F)c1 ZINC000926512072 618718270 /nfs/dbraw/zinc/71/82/70/618718270.db2.gz JZRAUJXPXZBRAO-MJVIPROJSA-N 0 3 262.328 3.264 20 30 CGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CC1CC1 ZINC000311885841 618920760 /nfs/dbraw/zinc/92/07/60/618920760.db2.gz VNTOWGCGLRHILN-LBPRGKRZSA-N 0 3 298.839 3.044 20 30 CGEDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)NCC#Cc1ccccc1 ZINC000893267193 619054066 /nfs/dbraw/zinc/05/40/66/619054066.db2.gz KTCRKKZXKQWJNB-DNVCBOLYSA-N 0 3 297.373 3.279 20 30 CGEDHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCC#Cc1ccccc1 ZINC000893267199 619054078 /nfs/dbraw/zinc/05/40/78/619054078.db2.gz KTCRKKZXKQWJNB-HNAYVOBHSA-N 0 3 297.373 3.279 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925697516 619149507 /nfs/dbraw/zinc/14/95/07/619149507.db2.gz PAPUDYCCCWPHFR-APWZRJJASA-N 0 3 296.414 3.254 20 30 CGEDHN CCCCCCCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000314212111 619221584 /nfs/dbraw/zinc/22/15/84/619221584.db2.gz VAQRWYMVHHTKLY-UHFFFAOYSA-N 0 3 290.407 3.468 20 30 CGEDHN CC1(C)[C@H](c2ccccc2Cl)CCN1C[C@H](O)CC#N ZINC000931688076 619233510 /nfs/dbraw/zinc/23/35/10/619233510.db2.gz CLNXJWONVOCFBZ-OCCSQVGLSA-N 0 3 292.810 3.182 20 30 CGEDHN C#C[C@H](NCc1cc2c(ccnc2Cl)o1)C(C)C ZINC000877512855 619394896 /nfs/dbraw/zinc/39/48/96/619394896.db2.gz DOFNIASSOFSJFE-LBPRGKRZSA-N 0 3 262.740 3.229 20 30 CGEDHN CC(C)n1cc([C@H](C)N[C@H](C)CC(C)(C)C#N)cn1 ZINC000925045466 619509103 /nfs/dbraw/zinc/50/91/03/619509103.db2.gz KYCBCYJJZDQZCE-OLZOCXBDSA-N 0 3 262.401 3.443 20 30 CGEDHN Fc1ccccc1N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC000894591327 619580902 /nfs/dbraw/zinc/58/09/02/619580902.db2.gz SAHDSLAUSLSRRW-KRWDZBQOSA-N 0 3 294.373 3.046 20 30 CGEDHN COc1ccc(CN2CCC[C@H](CC#N)C2)c(C)c1 ZINC000895314409 619804388 /nfs/dbraw/zinc/80/43/88/619804388.db2.gz VNIIHCDSOGMQHH-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccnn2C2CCC2)C1 ZINC000895337741 619807193 /nfs/dbraw/zinc/80/71/93/619807193.db2.gz KSZZUPRBMHNMAE-AWEZNQCLSA-N 0 3 259.397 3.396 20 30 CGEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989925627 620532533 /nfs/dbraw/zinc/53/25/33/620532533.db2.gz OFQHOPIDXGPTJT-GDBMZVCRSA-N 0 3 290.432 3.051 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)C(F)=C3CCCC3)CCC[C@H]12 ZINC000990224737 620539306 /nfs/dbraw/zinc/53/93/06/620539306.db2.gz SYTXTCPJEUBWKH-WMLDXEAASA-N 0 3 292.398 3.083 20 30 CGEDHN CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccccc1N(C)C ZINC000901305868 620851991 /nfs/dbraw/zinc/85/19/91/620851991.db2.gz GJSBLKAIIOOIRH-STQMWFEESA-N 0 3 289.423 3.022 20 30 CGEDHN N#CCC[C@@H](C#N)CNCCC1CCC(F)(F)CC1 ZINC000901685885 620986786 /nfs/dbraw/zinc/98/67/86/620986786.db2.gz RLISEUKFWLQREQ-ZDUSSCGKSA-N 0 3 269.339 3.235 20 30 CGEDHN C[C@@H](N[C@@H](C)COc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902759426 621428584 /nfs/dbraw/zinc/42/85/84/621428584.db2.gz XBUFMMIZJQKZBE-QWHCGFSZSA-N 0 3 299.349 3.210 20 30 CGEDHN CCc1cc(CN[C@@H](CC)c2cccc(C#N)c2)n[nH]1 ZINC000902804452 621442281 /nfs/dbraw/zinc/44/22/81/621442281.db2.gz RDSUJKLUHUABDI-INIZCTEOSA-N 0 3 268.364 3.085 20 30 CGEDHN CC[C@H](N[C@@H](C)c1cn(C)nc1C)c1cccc(C#N)c1 ZINC000902789701 621447508 /nfs/dbraw/zinc/44/75/08/621447508.db2.gz IYSIFDKIWMEDIO-SJCJKPOMSA-N 0 3 282.391 3.402 20 30 CGEDHN CCC1(CC)[C@H](N[C@H](C)c2cc(C#N)ccn2)C[C@@H]1OC ZINC000902880644 621481440 /nfs/dbraw/zinc/48/14/40/621481440.db2.gz KTELNLICWLWJKU-WQVCFCJDSA-N 0 3 287.407 3.198 20 30 CGEDHN Cc1csc([C@@H](C)CN[C@H](C)c2cc(C#N)ccn2)n1 ZINC000902952136 621503239 /nfs/dbraw/zinc/50/32/39/621503239.db2.gz VKNDYQCISUPQOB-CMPLNLGQSA-N 0 3 286.404 3.173 20 30 CGEDHN C=CCC1(CN[C@H](C)c2cn(CCC)nn2)CCCC1 ZINC000903012809 621534069 /nfs/dbraw/zinc/53/40/69/621534069.db2.gz UJRZTWJUWGMBAV-CQSZACIVSA-N 0 3 276.428 3.475 20 30 CGEDHN Cc1ccc([C@@H](C)NCC2(C#N)CCC2)c(O)c1C ZINC000903032623 621536788 /nfs/dbraw/zinc/53/67/88/621536788.db2.gz KZNBSFAEZKTVEY-CYBMUJFWSA-N 0 3 258.365 3.354 20 30 CGEDHN CCC(O)(CC)C(C)(C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000903047152 621554763 /nfs/dbraw/zinc/55/47/63/621554763.db2.gz IEWXYNOKGMOECX-CYBMUJFWSA-N 0 3 289.423 3.181 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cn(C)nc2Br)C1 ZINC000903187356 621627246 /nfs/dbraw/zinc/62/72/46/621627246.db2.gz BHAFOYPHHHVGMD-CMPLNLGQSA-N 0 3 298.228 3.017 20 30 CGEDHN C=CCCCC[C@H](C)NCc1nc(CN(C)C)cs1 ZINC000903219852 621632816 /nfs/dbraw/zinc/63/28/16/621632816.db2.gz LBEFHLYZQUWCGN-ZDUSSCGKSA-N 0 3 281.469 3.429 20 30 CGEDHN C=CCNCc1cc(-c2c(C)noc2C)ccc1F ZINC000904765236 621977647 /nfs/dbraw/zinc/97/76/47/621977647.db2.gz BHPHSSROCWGNIU-UHFFFAOYSA-N 0 3 260.312 3.373 20 30 CGEDHN CC(C)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905083152 622033397 /nfs/dbraw/zinc/03/33/97/622033397.db2.gz ZSAZWJSSHYBJAQ-KYJZABPNSA-N 0 3 267.332 3.242 20 30 CGEDHN CC1/C(=C\c2cscc2C(F)(F)F)C(=O)c2ncnn21 ZINC000905086934 622033676 /nfs/dbraw/zinc/03/36/76/622033676.db2.gz URDNERAGJDVCNZ-YYHMDIAISA-N 0 3 299.277 3.199 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907807582 622313207 /nfs/dbraw/zinc/31/32/07/622313207.db2.gz MHMMUDKMBUOQTP-INIZCTEOSA-N 0 3 297.402 3.472 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000912067573 622591169 /nfs/dbraw/zinc/59/11/69/622591169.db2.gz HMPWORKTBJVANE-SJORKVTESA-N 0 3 286.419 3.206 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccs1 ZINC000912070133 622597304 /nfs/dbraw/zinc/59/73/04/622597304.db2.gz ZFLQRZMFTPTJBY-OLZOCXBDSA-N 0 3 278.421 3.095 20 30 CGEDHN C[C@H]1Cc2cc(CNCc3cccc(C#N)c3)ccc2O1 ZINC000921519989 625628820 /nfs/dbraw/zinc/62/88/20/625628820.db2.gz GWBLDMOPASYJFG-ZDUSSCGKSA-N 0 3 278.355 3.171 20 30 CGEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000173969046 623350510 /nfs/dbraw/zinc/35/05/10/623350510.db2.gz WBZBUHHHDSVGIE-SWLSCSKDSA-N 0 3 286.375 3.333 20 30 CGEDHN C=CCN1CCC[C@@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000993007951 623785276 /nfs/dbraw/zinc/78/52/76/623785276.db2.gz ZVCDUQDHCIFPTE-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993198950 623944265 /nfs/dbraw/zinc/94/42/65/623944265.db2.gz FWZHCUYPJWCVPU-ZFWWWQNUSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993288520 623999778 /nfs/dbraw/zinc/99/97/78/623999778.db2.gz ZBRZWZLHYWOHCR-GOEBONIOSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993651928 624055583 /nfs/dbraw/zinc/05/55/83/624055583.db2.gz AMVJSBOQOIOSMN-GOEBONIOSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CC[C@H](C)N[C@H]1COCc2cccc(Cl)c21 ZINC000925430276 624201773 /nfs/dbraw/zinc/20/17/73/624201773.db2.gz LINHPXDCDLAHKF-GWCFXTLKSA-N 0 3 251.757 3.466 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(F)c2)cc1 ZINC000237578567 624659732 /nfs/dbraw/zinc/65/97/32/624659732.db2.gz HODNFQQRKBTKPS-CYBMUJFWSA-N 0 3 284.334 3.406 20 30 CGEDHN C#CCN(CCCCCn1cccn1)Cc1ccc(F)cc1 ZINC000068458828 624719529 /nfs/dbraw/zinc/71/95/29/624719529.db2.gz OKZGAXBZXMBHKV-UHFFFAOYSA-N 0 3 299.393 3.328 20 30 CGEDHN C=CC(C)(C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000835244465 634411235 /nfs/dbraw/zinc/41/12/35/634411235.db2.gz HRMFGXYBQYEDPO-UHFFFAOYSA-N 0 3 291.391 3.247 20 30 CGEDHN CC1CC(NCc2cc(C#N)ccc2Br)C1 ZINC000921809525 625885569 /nfs/dbraw/zinc/88/55/69/625885569.db2.gz HXRLVWIPLOAQQR-UHFFFAOYSA-N 0 3 279.181 3.209 20 30 CGEDHN C=CCCC[C@@H](C)NCc1csc(-c2ccn(C)n2)n1 ZINC000921969972 625947144 /nfs/dbraw/zinc/94/71/44/625947144.db2.gz YMQLVSAPKSESBV-GFCCVEGCSA-N 0 3 290.436 3.378 20 30 CGEDHN C=CCC(C)(C)CNCc1csc(-c2ccn(C)n2)n1 ZINC000922145779 625972600 /nfs/dbraw/zinc/97/26/00/625972600.db2.gz VEALYSBRGBHVMJ-UHFFFAOYSA-N 0 3 290.436 3.236 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1C[C@@H](O)c2ccccc21 ZINC000922246547 625989461 /nfs/dbraw/zinc/98/94/61/625989461.db2.gz RMRCQGIIZRYQMN-RBUKOAKNSA-N 0 3 292.382 3.443 20 30 CGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001004356398 626042291 /nfs/dbraw/zinc/04/22/91/626042291.db2.gz XSPMFTHSPSHWNC-HNNXBMFYSA-N 0 3 298.858 3.098 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000751482388 626392697 /nfs/dbraw/zinc/39/26/97/626392697.db2.gz LVFHRTJFORSXGS-SFHVURJKSA-N 0 3 293.370 3.321 20 30 CGEDHN C[C@H]1CN(C)CC1N=Nc1ccnc2cc(Cl)ccc12 ZINC000752154936 626420429 /nfs/dbraw/zinc/42/04/29/626420429.db2.gz MFDDSQDYQROWPS-JTQLQIEISA-N 0 3 288.782 3.238 20 30 CGEDHN Cc1cc(N)cc(C)c1C=NOCc1ccccc1 ZINC000752722973 626435930 /nfs/dbraw/zinc/43/59/30/626435930.db2.gz GLIAEFXXYUQNHG-UHFFFAOYSA-N 0 3 254.333 3.436 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2cnccc2C)cc1 ZINC000809632142 626572981 /nfs/dbraw/zinc/57/29/81/626572981.db2.gz MJCLBBHOWIYPBP-CQSZACIVSA-N 0 3 250.345 3.222 20 30 CGEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(OC(F)F)cc1 ZINC000755890039 626656094 /nfs/dbraw/zinc/65/60/94/626656094.db2.gz NQORZDAXPRYHNY-SNVBAGLBSA-N 0 3 295.333 3.170 20 30 CGEDHN C#CCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000760859643 626997222 /nfs/dbraw/zinc/99/72/22/626997222.db2.gz IWHMYMHEJDDUKN-UHFFFAOYSA-N 0 3 251.329 3.328 20 30 CGEDHN C#Cc1cccc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC000764052227 627192271 /nfs/dbraw/zinc/19/22/71/627192271.db2.gz KDSKTXWSLFSFSQ-GOSISDBHSA-N 0 3 296.414 3.404 20 30 CGEDHN c1sc(N=NC2CCN3CCC[C@H]23)nc1-c1ccccc1 ZINC000765569391 627259797 /nfs/dbraw/zinc/25/97/97/627259797.db2.gz KGLZUUXTYCNRGF-OAHLLOKOSA-N 0 3 298.415 3.446 20 30 CGEDHN C#CCN(Cc1c(C)nn(CC)c1C)C1CCCCC1 ZINC000769146308 627526251 /nfs/dbraw/zinc/52/62/51/627526251.db2.gz SGGAFWDJIAHDTM-UHFFFAOYSA-N 0 3 273.424 3.288 20 30 CGEDHN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000769280546 627535550 /nfs/dbraw/zinc/53/55/50/627535550.db2.gz AEOOQVXDPDGBHL-CQDKDKBSSA-N 0 3 292.338 3.143 20 30 CGEDHN Cc1cccc(F)c1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000769840062 627583251 /nfs/dbraw/zinc/58/32/51/627583251.db2.gz HHMWOESGGPJMFX-LLVKDONJSA-N 0 3 261.344 3.159 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cc(Cl)cc2cccnc21 ZINC000769963037 627593224 /nfs/dbraw/zinc/59/32/24/627593224.db2.gz PLZBXKZQKZHFMT-NSHDSACASA-N 0 3 258.752 3.342 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1ccc(C)cc1C)[C@@H]1CCCO1 ZINC000775572464 628109015 /nfs/dbraw/zinc/10/90/15/628109015.db2.gz AVANQIXXGFSRED-XIRDDKMYSA-N 0 3 257.377 3.135 20 30 CGEDHN C[C@@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000776511147 628214855 /nfs/dbraw/zinc/21/48/55/628214855.db2.gz JUPMCJQXEQYONA-GRYCIOLGSA-N 0 3 268.316 3.440 20 30 CGEDHN C=CCN(C)CCOc1ccccc1C(=O)OC(C)(C)C ZINC000778170585 628331164 /nfs/dbraw/zinc/33/11/64/628331164.db2.gz TVDGKZFEXBZIPY-UHFFFAOYSA-N 0 3 291.391 3.139 20 30 CGEDHN FC(F)(F)c1ccc(C2CC(=Nn3cnnc3)C2)cc1 ZINC000781573493 628573778 /nfs/dbraw/zinc/57/37/78/628573778.db2.gz GVCCLRFVKMKHAT-UHFFFAOYSA-N 0 3 280.253 3.079 20 30 CGEDHN C#CCN(C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCc2ccccc21 ZINC000789308720 629123034 /nfs/dbraw/zinc/12/30/34/629123034.db2.gz AZCAEARBAGOVHQ-UWWQBHOKSA-N 0 3 269.388 3.177 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCc3ccccc32)n1 ZINC000789325306 629123911 /nfs/dbraw/zinc/12/39/11/629123911.db2.gz BWQAAXFOVUXLCI-KRWDZBQOSA-N 0 3 293.414 3.068 20 30 CGEDHN C=CCC[C@H](OC(=O)C1CCN(C2CC2)CC1)C1CC1 ZINC000805900515 629158172 /nfs/dbraw/zinc/15/81/72/629158172.db2.gz POTMVFRYNZHCRB-INIZCTEOSA-N 0 3 277.408 3.149 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H]2C(C)=CCC[C@@H]2C)n1 ZINC000789761833 629165870 /nfs/dbraw/zinc/16/58/70/629165870.db2.gz LAYCLUXJMCPLGX-FUHWJXTLSA-N 0 3 285.435 3.331 20 30 CGEDHN CC(C)N(C)c1ccc(C=NNC2CCCCC2)cn1 ZINC000790175458 629189393 /nfs/dbraw/zinc/18/93/93/629189393.db2.gz ZMFFIJXTLQYQMO-UHFFFAOYSA-N 0 3 274.412 3.182 20 30 CGEDHN N#CC(C(=O)CC[C@H]1CCCO1)c1nccc2ccccc21 ZINC000792100162 629337417 /nfs/dbraw/zinc/33/74/17/629337417.db2.gz KMLLIRAHIXGUQG-ZBFHGGJFSA-N 0 3 294.354 3.370 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccccc2Br)C1 ZINC000862442944 629375369 /nfs/dbraw/zinc/37/53/69/629375369.db2.gz ITZQSUDCJCNKHX-LBPRGKRZSA-N 0 3 278.193 3.294 20 30 CGEDHN C#CCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793230252 629432565 /nfs/dbraw/zinc/43/25/65/629432565.db2.gz FNWRAJWFOKJAQV-SWLSCSKDSA-N 0 3 297.320 3.471 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@H]1C ZINC000796527471 629795374 /nfs/dbraw/zinc/79/53/74/629795374.db2.gz ZLHWMTDWHIRZNQ-RISCZKNCSA-N 0 3 263.768 3.240 20 30 CGEDHN C=CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccncc1 ZINC000799336413 630168704 /nfs/dbraw/zinc/16/87/04/630168704.db2.gz MOJYDNFMSARKDG-QGZVFWFLSA-N 0 3 293.370 3.369 20 30 CGEDHN C#CCCCC(=O)OC[C@H]1CCCCN1Cc1ccccc1 ZINC000799631205 630204215 /nfs/dbraw/zinc/20/42/15/630204215.db2.gz HITKKMPZKOQHFF-GOSISDBHSA-N 0 3 299.414 3.388 20 30 CGEDHN N#Cc1ccc(N2CCN(CCCC3CCCC3)CC2)cn1 ZINC000801553903 630342931 /nfs/dbraw/zinc/34/29/31/630342931.db2.gz ZDSMJGJLWVIGAE-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN C=CCCC(C)(C)CNCc1cn(C)nc1Cl ZINC000865678783 630347940 /nfs/dbraw/zinc/34/79/40/630347940.db2.gz GCVBROAPGOIDBA-UHFFFAOYSA-N 0 3 255.793 3.156 20 30 CGEDHN CCc1oc2ccccc2c1CN(C)CCO[C@H](C)C#N ZINC000801910720 630364430 /nfs/dbraw/zinc/36/44/30/630364430.db2.gz WEIGJBGFWMBBKC-CYBMUJFWSA-N 0 3 286.375 3.356 20 30 CGEDHN C[C@H](C#N)OCCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000801921390 630366475 /nfs/dbraw/zinc/36/64/75/630366475.db2.gz BLLYVFGLOQEOIM-FMKPAKJESA-N 0 3 290.432 3.094 20 30 CGEDHN CC[C@H](NCCO[C@@H](C)C#N)c1ccccc1OC(F)F ZINC000801937781 630370535 /nfs/dbraw/zinc/37/05/35/630370535.db2.gz WJHSEFYFXYDQMV-AAEUAGOBSA-N 0 3 298.333 3.257 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1ccc2ccccc2n1 ZINC000802034248 630374864 /nfs/dbraw/zinc/37/48/64/630374864.db2.gz GDPKMSHAMKXSCH-SRVKXCTJSA-N 0 3 286.281 3.312 20 30 CGEDHN CCCC[C@@H](C)N(CCCC)Cn1cccc(C#N)c1=O ZINC000840092961 630589632 /nfs/dbraw/zinc/58/96/32/630589632.db2.gz ZZPYLVQEZIDICE-OAHLLOKOSA-N 0 3 289.423 3.358 20 30 CGEDHN C#C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C(C)(C)C ZINC000807880263 630602493 /nfs/dbraw/zinc/60/24/93/630602493.db2.gz FVBQQUFWCFUTIL-KRWDZBQOSA-N 0 3 298.430 3.060 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000809630241 630767950 /nfs/dbraw/zinc/76/79/50/630767950.db2.gz PWVPGAOWSITJCR-SZNDQCEHSA-N 0 3 297.423 3.256 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@@H](CC(=O)OC(C)C)C2)cc1 ZINC000809640176 630772135 /nfs/dbraw/zinc/77/21/35/630772135.db2.gz BTQDLKCUSFKXOZ-SFHVURJKSA-N 0 3 299.414 3.222 20 30 CGEDHN C#Cc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000809651750 630774630 /nfs/dbraw/zinc/77/46/30/630774630.db2.gz NWXCTPRLGFGKFM-UHFFFAOYSA-N 0 3 280.327 3.174 20 30 CGEDHN C#C[C@H](NCc1cccc(OCc2ccccn2)c1)C(C)C ZINC000809684413 630780067 /nfs/dbraw/zinc/78/00/67/630780067.db2.gz BDXRWQPINHNJJU-IBGZPJMESA-N 0 3 294.398 3.408 20 30 CGEDHN C#C[C@H](CC)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000809686037 630781784 /nfs/dbraw/zinc/78/17/84/630781784.db2.gz IYKOCXIHRPJKKN-GFCCVEGCSA-N 0 3 281.783 3.249 20 30 CGEDHN C#C[C@H](CC)NCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000809686358 630783415 /nfs/dbraw/zinc/78/34/15/630783415.db2.gz NQSLWSWZZQOPTI-OAHLLOKOSA-N 0 3 293.370 3.335 20 30 CGEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729557 630792960 /nfs/dbraw/zinc/79/29/60/630792960.db2.gz VSJCJVYDZBTLIB-LJQANCHMSA-N 0 3 292.382 3.431 20 30 CGEDHN C#C[C@H](NCc1ccnn1-c1ccc(F)cc1)C(C)(C)C ZINC000809780948 630805151 /nfs/dbraw/zinc/80/51/51/630805151.db2.gz BHGADPRAJCFSAR-INIZCTEOSA-N 0 3 285.366 3.149 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H]2CC(C)=C[C@H](C)C2)n1 ZINC000811497871 631076063 /nfs/dbraw/zinc/07/60/63/631076063.db2.gz WWTMENUOJQEDRM-DOTOQJQBSA-N 0 3 285.435 3.331 20 30 CGEDHN C#C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000811505461 631076800 /nfs/dbraw/zinc/07/68/00/631076800.db2.gz MEODODQMXNUOPD-AWEZNQCLSA-N 0 3 280.293 3.324 20 30 CGEDHN CCN(CC#Cc1ccccc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847902 631325180 /nfs/dbraw/zinc/32/51/80/631325180.db2.gz HHFSRCXDPQUFJK-PXNSSMCTSA-N 0 3 293.410 3.482 20 30 CGEDHN N#CC(C(=O)C1=CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813214070 631388795 /nfs/dbraw/zinc/38/87/95/631388795.db2.gz OVBCKXHTJGLCAT-LLVKDONJSA-N 0 3 280.249 3.387 20 30 CGEDHN C#CCOc1ccccc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000814169222 631535639 /nfs/dbraw/zinc/53/56/39/631535639.db2.gz FIICBQQSHVOPJE-JKSUJKDBSA-N 0 3 291.341 3.176 20 30 CGEDHN Cc1cccc(C2(O)CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1C ZINC000815053325 631707949 /nfs/dbraw/zinc/70/79/49/631707949.db2.gz HOCZDWYRBIWNNV-IAGOWNOFSA-N 0 3 298.430 3.279 20 30 CGEDHN C[C@H]1C[C@H](c2ccccc2F)N(CCOCCC#N)C1 ZINC000815054505 631708613 /nfs/dbraw/zinc/70/86/13/631708613.db2.gz LEOAYCUBCKMAON-XJKSGUPXSA-N 0 3 276.355 3.139 20 30 CGEDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@H](C#N)CCC#N ZINC000819377750 632444543 /nfs/dbraw/zinc/44/45/43/632444543.db2.gz UTEISFQPGRDJPP-CVEARBPZSA-N 0 3 298.434 3.025 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000822494611 632947453 /nfs/dbraw/zinc/94/74/53/632947453.db2.gz RWRAETINICJSJS-FZMZJTMJSA-N 0 3 281.783 3.035 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1nn(C)cc1C(F)F ZINC000866563410 633192584 /nfs/dbraw/zinc/19/25/84/633192584.db2.gz LFTHCAQXFLEYLF-ZJUUUORDSA-N 0 3 257.328 3.048 20 30 CGEDHN Cc1ccc([C@@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)c([O-])c1 ZINC000866616752 633216205 /nfs/dbraw/zinc/21/62/05/633216205.db2.gz AWUYHDVVIKZNOE-DYVFJYSZSA-N 0 3 292.382 3.390 20 30 CGEDHN C#CCN(CCc1ccncc1C)Cc1ccc(F)cc1 ZINC000827815720 633521431 /nfs/dbraw/zinc/52/14/31/633521431.db2.gz ZZRJQYDWRCJIOW-UHFFFAOYSA-N 0 3 282.362 3.207 20 30 CGEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000829774383 633780263 /nfs/dbraw/zinc/78/02/63/633780263.db2.gz POYKZRHRYZHDPH-SJORKVTESA-N 0 3 298.430 3.366 20 30 CGEDHN C#CC[C@@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000829804455 633790228 /nfs/dbraw/zinc/79/02/28/633790228.db2.gz HKEMSERBVGIOOU-UONOGXRCSA-N 0 3 289.375 3.171 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872060133 633982503 /nfs/dbraw/zinc/98/25/03/633982503.db2.gz MNQKTMMDYBFTQR-LLVKDONJSA-N 0 3 296.392 3.170 20 30 CGEDHN Cc1nnc(C)n1N=C/C=C\c1c(C)cc(C)cc1C ZINC000872335717 634110864 /nfs/dbraw/zinc/11/08/64/634110864.db2.gz FWPGBTAPARLIIT-OIHZLXORSA-N 0 3 268.364 3.368 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1nc2ccccc2[nH]1 ZINC000835036545 634327665 /nfs/dbraw/zinc/32/76/65/634327665.db2.gz LKNHVESLOVHDHD-WUHRBBMRSA-N 0 3 279.343 3.175 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000876576486 634861083 /nfs/dbraw/zinc/86/10/83/634861083.db2.gz HWLIWJLMMRKDII-CABCVRRESA-N 0 3 292.810 3.128 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000876958101 634938022 /nfs/dbraw/zinc/93/80/22/634938022.db2.gz RIOLRVGISMOCRS-STQMWFEESA-N 0 3 284.831 3.076 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1F)C(C)C ZINC000876962752 634939088 /nfs/dbraw/zinc/93/90/88/634939088.db2.gz VTGAZUVAXXEKHO-KBPBESRZSA-N 0 3 298.789 3.109 20 30 CGEDHN CS[C@@H]1CCC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877035825 634958199 /nfs/dbraw/zinc/95/81/99/634958199.db2.gz JYJAHGWTZUPUGW-QWHCGFSZSA-N 0 3 295.839 3.370 20 30 CGEDHN CSCCCCCNCc1cc(C#N)cnc1Cl ZINC000877423227 635038077 /nfs/dbraw/zinc/03/80/77/635038077.db2.gz VAVYJGFTGFEAFQ-UHFFFAOYSA-N 0 3 283.828 3.230 20 30 CGEDHN Cc1csc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC000877812527 635217120 /nfs/dbraw/zinc/21/71/20/635217120.db2.gz CIVYLWIGEQZAHK-LLVKDONJSA-N 0 3 289.429 3.374 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](OC)C1 ZINC000878002070 635315479 /nfs/dbraw/zinc/31/54/79/635315479.db2.gz MERUJQGQRLODTL-FZNQNYSPSA-N 0 3 290.363 3.008 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(CO)cc2)cc1 ZINC000842895723 635508981 /nfs/dbraw/zinc/50/89/81/635508981.db2.gz PTCUDNVKKWXRPA-HNNXBMFYSA-N 0 3 295.382 3.042 20 30 CGEDHN C#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000843424310 635668894 /nfs/dbraw/zinc/66/88/94/635668894.db2.gz RDDFDXFQNKNEPQ-CQSZACIVSA-N 0 3 273.376 3.026 20 30 CGEDHN C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000843424310 635668897 /nfs/dbraw/zinc/66/88/97/635668897.db2.gz RDDFDXFQNKNEPQ-CQSZACIVSA-N 0 3 273.376 3.026 20 30 CGEDHN C=C(C)CN[C@@H](COC)c1cccc(Br)c1 ZINC000879662342 635830425 /nfs/dbraw/zinc/83/04/25/635830425.db2.gz XDPIZHFKYJGVOB-ZDUSSCGKSA-N 0 3 284.197 3.302 20 30 CGEDHN C[C@H](c1ccccc1)N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000880251057 635956471 /nfs/dbraw/zinc/95/64/71/635956471.db2.gz POTUESWXFNEDEM-SOLBZPMBSA-N 0 3 283.419 3.057 20 30 CGEDHN N#Cc1cccc(CN2CCC3(CCCCO3)CC2)c1 ZINC000880453021 636003191 /nfs/dbraw/zinc/00/31/91/636003191.db2.gz AHRHLSHJIHJUAK-UHFFFAOYSA-N 0 3 270.376 3.093 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1C)[C@H](CO)c1ccccc1 ZINC000880463198 636006031 /nfs/dbraw/zinc/00/60/31/636006031.db2.gz LIFNPNCCUOTQIV-LJQANCHMSA-N 0 3 294.398 3.422 20 30 CGEDHN C=CCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878136 636113105 /nfs/dbraw/zinc/11/31/05/636113105.db2.gz UQISDUCPESNKKI-IINYFYTJSA-N 0 3 281.283 3.041 20 30 CGEDHN CCc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000845939512 636121113 /nfs/dbraw/zinc/12/11/13/636121113.db2.gz JMSMFBZRAZESDC-UHFFFAOYSA-N 0 3 280.371 3.441 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cn(-c3ccccc3)nn2)C1 ZINC000845951275 636122974 /nfs/dbraw/zinc/12/29/74/636122974.db2.gz HWAZWDFXKAOBLV-LSDHHAIUSA-N 0 3 282.391 3.102 20 30 CGEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000845966163 636124924 /nfs/dbraw/zinc/12/49/24/636124924.db2.gz GABRZJIQRLJJQS-GXTWGEPZSA-N 0 3 261.365 3.235 20 30 CGEDHN COc1ccc(N=NC2CCCN3CCCC[C@H]23)cc1 ZINC000848407309 636568791 /nfs/dbraw/zinc/56/87/91/636568791.db2.gz OPQREYFHGIIIQM-MRXNPFEDSA-N 0 3 273.380 3.111 20 30 CGEDHN Fc1cccc(N=NC2CCCN3CCCC[C@H]23)c1F ZINC000848406319 636568899 /nfs/dbraw/zinc/56/88/99/636568899.db2.gz LVXMKMYCIWOKBN-CQSZACIVSA-N 0 3 279.334 3.381 20 30 CGEDHN C=CCC[C@H](COc1ccccc1)N[C@H](C)c1ccn(C)n1 ZINC000883228781 636600035 /nfs/dbraw/zinc/60/00/35/636600035.db2.gz UOMCQHQVXDYWLQ-HZPDHXFCSA-N 0 3 299.418 3.485 20 30 CGEDHN C#CC1(NCc2cnc(-c3ccncc3)s2)CCCC1 ZINC000883361812 636703724 /nfs/dbraw/zinc/70/37/24/636703724.db2.gz MLVPBGZXOQHDSW-UHFFFAOYSA-N 0 3 283.400 3.241 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1ccc(Oc2ccccc2)o1 ZINC000883400531 636741339 /nfs/dbraw/zinc/74/13/39/636741339.db2.gz PBICHMWYASKZPG-CQSZACIVSA-N 0 3 287.359 3.489 20 30 CGEDHN C=C(C)C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000883401497 636743128 /nfs/dbraw/zinc/74/31/28/636743128.db2.gz OCVQRJOVLANVGJ-SFHVURJKSA-N 0 3 297.398 3.476 20 30 CGEDHN C=CCCC(C)(C)NCc1cn(-c2ccccc2)nn1 ZINC000850417387 637054075 /nfs/dbraw/zinc/05/40/75/637054075.db2.gz VQZHBFFWIATTOR-UHFFFAOYSA-N 0 3 270.380 3.102 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc2cnccc2o1 ZINC000850462309 637075690 /nfs/dbraw/zinc/07/56/90/637075690.db2.gz OGJPHSACTTWEBY-DMDPSCGWSA-N 0 3 255.321 3.171 20 30 CGEDHN N#CC(C(=O)CCCF)c1ccc2ccccc2n1 ZINC000850741149 637137795 /nfs/dbraw/zinc/13/77/95/637137795.db2.gz FTRZPVIMQPTUTD-LBPRGKRZSA-N 0 3 256.280 3.161 20 30 CGEDHN CN(CCSC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000885937705 637321195 /nfs/dbraw/zinc/32/11/95/637321195.db2.gz HZIPBWNZRJCKIY-UHFFFAOYSA-N 0 3 274.311 3.243 20 30 CGEDHN C=CC(C)(C)CCOC(=O)C1CCN(C2CC2)CC1 ZINC000851299934 637339643 /nfs/dbraw/zinc/33/96/43/637339643.db2.gz FZANMFPXVTYRLR-UHFFFAOYSA-N 0 3 265.397 3.006 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1C[C@@]12CCOC2 ZINC000886028117 637372709 /nfs/dbraw/zinc/37/27/09/637372709.db2.gz MJQDSJYFKGAJSL-ZSYWTGECSA-N 0 3 296.414 3.185 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](OC)C1 ZINC000851738881 637485167 /nfs/dbraw/zinc/48/51/67/637485167.db2.gz WAFDIDMJRHKTMF-HOCLYGCPSA-N 0 3 290.363 3.150 20 30 CGEDHN C#CC[C@H]1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000886356385 637511173 /nfs/dbraw/zinc/51/11/73/637511173.db2.gz YVOUYBXSIHLFAQ-GJZGRUSLSA-N 0 3 295.386 3.451 20 30 CGEDHN C#CC[C@@H]1CCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000886363766 637513965 /nfs/dbraw/zinc/51/39/65/637513965.db2.gz CGYCUUQARBUROF-QWHCGFSZSA-N 0 3 254.333 3.234 20 30 CGEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](CCC)c1ccccc1 ZINC000852098653 637592857 /nfs/dbraw/zinc/59/28/57/637592857.db2.gz RWUZQPOOVXBTTC-WMZOPIPTSA-N 0 3 286.419 3.036 20 30 CGEDHN C#C[C@](C)(CC)NCc1cccc(SC(=O)N(C)C)c1 ZINC000852100811 637594219 /nfs/dbraw/zinc/59/42/19/637594219.db2.gz AZTAXCBTZKFQSM-MRXNPFEDSA-N 0 3 290.432 3.352 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886816792 637705376 /nfs/dbraw/zinc/70/53/76/637705376.db2.gz YOXMXMPNSUSHOH-RDJZCZTQSA-N 0 3 289.806 3.192 20 30 CGEDHN C[C@H](NCc1ccnc(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000852780204 637710963 /nfs/dbraw/zinc/71/09/63/637710963.db2.gz IZJPCWUGCCOJGO-ZDUSSCGKSA-N 0 3 293.370 3.129 20 30 CGEDHN CCC(Cc1ccc(C(F)(F)F)cc1)=Nn1cnnc1 ZINC000853254090 637794670 /nfs/dbraw/zinc/79/46/70/637794670.db2.gz LYXKBWQVVLRGOQ-UHFFFAOYSA-N 0 3 282.269 3.154 20 30 CGEDHN C#C[C@H](NCc1ccc(Br)c(F)c1)C(C)C ZINC000300964379 637856876 /nfs/dbraw/zinc/85/68/76/637856876.db2.gz RJDCKCRUJIYQRC-ZDUSSCGKSA-N 0 3 284.172 3.336 20 30 CGEDHN C=CCCC1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC000855300302 638168318 /nfs/dbraw/zinc/16/83/18/638168318.db2.gz SOWCEPBGZIKHGK-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCOc1ccc(CNCc2cccc(F)c2)cc1 ZINC000113318259 638185137 /nfs/dbraw/zinc/18/51/37/638185137.db2.gz GMVXWCFAYFMYGD-UHFFFAOYSA-N 0 3 269.319 3.128 20 30 CGEDHN CC[C@H]([NH2+]CCCN(C)C(C)C)c1cccc(C#N)c1[O-] ZINC000924616957 638376185 /nfs/dbraw/zinc/37/61/85/638376185.db2.gz HGIMCOXEEATXBA-INIZCTEOSA-N 0 3 289.423 3.035 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1ncco1)C(C)C ZINC000924642274 638381954 /nfs/dbraw/zinc/38/19/54/638381954.db2.gz GRWZWYKSSLIWOG-LSDHHAIUSA-N 0 3 277.412 3.024 20 30 CGEDHN COc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1OC ZINC000924713078 638393626 /nfs/dbraw/zinc/39/36/26/638393626.db2.gz HBQHAPAUWYPDQK-LBPRGKRZSA-N 0 3 276.380 3.122 20 30 CGEDHN COc1ccc(C)cc1CN[C@@H](C)CC(C)(C)C#N ZINC000925305322 638493634 /nfs/dbraw/zinc/49/36/34/638493634.db2.gz NJECTECDHYRJBK-ZDUSSCGKSA-N 0 3 260.381 3.422 20 30 CGEDHN C=CCSCC[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000925354682 638496822 /nfs/dbraw/zinc/49/68/22/638496822.db2.gz XSZHPEDEUZCGDV-SNVBAGLBSA-N 0 3 255.358 3.101 20 30 CGEDHN COc1ccc(CN[C@@H](C)CC(C)(C)C#N)c(F)c1 ZINC000925516102 638516500 /nfs/dbraw/zinc/51/65/00/638516500.db2.gz HHRBIGLRCLICQA-NSHDSACASA-N 0 3 264.344 3.252 20 30 CGEDHN CC[C@@H]1COC[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000925601396 638541853 /nfs/dbraw/zinc/54/18/53/638541853.db2.gz LBMKQDKUEJZNSN-KBMXLJTQSA-N 0 3 258.365 3.046 20 30 CGEDHN C#CC[C@@H](COC)NCc1ccc(C(F)(F)F)cc1C ZINC000858335598 638685218 /nfs/dbraw/zinc/68/52/18/638685218.db2.gz ZURVERPXLOAUQB-AWEZNQCLSA-N 0 3 285.309 3.142 20 30 CGEDHN COCC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccco1 ZINC000926113774 638710027 /nfs/dbraw/zinc/71/00/27/638710027.db2.gz AQNGBBHKSJYBCH-CHWSQXEVSA-N 0 3 264.369 3.275 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CC=C(C(=O)OC)C1)c1ccco1 ZINC000858471761 638727952 /nfs/dbraw/zinc/72/79/52/638727952.db2.gz FADYPDFVDIYCES-UONOGXRCSA-N 0 3 275.348 3.138 20 30 CGEDHN C=CCCCCCCN[C@@H](C)c1cc(OC)no1 ZINC000926422029 638769829 /nfs/dbraw/zinc/76/98/29/638769829.db2.gz GAAUXDPQVSQSNW-LBPRGKRZSA-N 0 3 252.358 3.470 20 30 CGEDHN COC1(OC)CC[C@H]1N[C@H](CCCC#N)c1ccccc1 ZINC000926478607 638775334 /nfs/dbraw/zinc/77/53/34/638775334.db2.gz AIUYUYQQQRKHOZ-HZPDHXFCSA-N 0 3 288.391 3.163 20 30 CGEDHN C=C(C)CCN[C@H]1COCc2cccc(Cl)c21 ZINC000926519422 638780766 /nfs/dbraw/zinc/78/07/66/638780766.db2.gz LKQLOUBUTQKKQG-ZDUSSCGKSA-N 0 3 251.757 3.467 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1cnn(C2CCC2)c1 ZINC000926567983 638786026 /nfs/dbraw/zinc/78/60/26/638786026.db2.gz KAWLPPRVMDDZCW-GFCCVEGCSA-N 0 3 260.385 3.199 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000929586034 638932619 /nfs/dbraw/zinc/93/26/19/638932619.db2.gz JGOZQRTZVARMAL-QGZVFWFLSA-N 0 3 291.398 3.408 20 30 CGEDHN N#Cc1cncc(CN2CCCC3(CCCCC3)C2)c1 ZINC000929622473 638935415 /nfs/dbraw/zinc/93/54/15/638935415.db2.gz BGLFBSNCVSBHHQ-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN C[C@]1(NCc2cncc(C#N)c2)CCCc2ccccc21 ZINC000929970563 638965463 /nfs/dbraw/zinc/96/54/63/638965463.db2.gz FHTNIEDCNCQBOM-SFHVURJKSA-N 0 3 277.371 3.295 20 30 CGEDHN CC[C@@]1(C)COCCN1CCCCC1(C#N)CCC1 ZINC000930123158 638976321 /nfs/dbraw/zinc/97/63/21/638976321.db2.gz AIQZYYCKFPEREB-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN C=C[C@@H](CC)CC(=O)Nc1ccccc1CN(C)C ZINC000930128361 638976919 /nfs/dbraw/zinc/97/69/19/638976919.db2.gz MQNSMHLXLIQWCA-ZDUSSCGKSA-N 0 3 260.381 3.289 20 30 CGEDHN C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@@H]1CCO ZINC000930971441 639093270 /nfs/dbraw/zinc/09/32/70/639093270.db2.gz QMODUGFUWLCZRO-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@@H]1CCO ZINC000930971439 639093710 /nfs/dbraw/zinc/09/37/10/639093710.db2.gz QMODUGFUWLCZRO-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@@H]1CN(CC2CCC(C#N)CC2)C[C@](C)(C(F)F)O1 ZINC000931079384 639108225 /nfs/dbraw/zinc/10/82/25/639108225.db2.gz JPRVNVQWBBKZSK-XZNOPERXSA-N 0 3 286.366 3.061 20 30 CGEDHN FC(F)(F)CCN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910921 639225839 /nfs/dbraw/zinc/22/58/39/639225839.db2.gz GYZYYQZOGVAASE-ZETCQYMHSA-N 0 3 279.199 3.305 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932196856 639293201 /nfs/dbraw/zinc/29/32/01/639293201.db2.gz MLTGKHVNMJNZJG-MRXNPFEDSA-N 0 3 297.427 3.469 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCOc2ccccc21)c1ccccn1 ZINC000118142190 639552735 /nfs/dbraw/zinc/55/27/35/639552735.db2.gz VKCDVTKYEUWPSM-UKRRQHHQSA-N 0 3 292.338 3.214 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)Cc1cccs1 ZINC000934358410 639595999 /nfs/dbraw/zinc/59/59/99/639595999.db2.gz PBUFXZKKLIAHET-CQSZACIVSA-N 0 3 294.464 3.241 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cc(=O)oc2cc(C)ccc12 ZINC000934465101 639614023 /nfs/dbraw/zinc/61/40/23/639614023.db2.gz CLWQWFVTMVLOHK-AWEZNQCLSA-N 0 3 269.344 3.252 20 30 CGEDHN N#CC(C(=O)CCCc1cccs1)c1ccccn1 ZINC000041494080 639904035 /nfs/dbraw/zinc/90/40/35/639904035.db2.gz HYVIVGZASMMUEN-CYBMUJFWSA-N 0 3 270.357 3.342 20 30 CGEDHN CC#CCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000158636618 640012152 /nfs/dbraw/zinc/01/21/52/640012152.db2.gz WUROJDZNZWYAEO-UHFFFAOYSA-N 0 3 256.393 3.132 20 30 CGEDHN CS[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080456740 640480480 /nfs/dbraw/zinc/48/04/80/640480480.db2.gz RHQPVAPOPBZIAO-RKDXNWHRSA-N 0 3 268.407 3.194 20 30 CGEDHN Cc1cc(CNCc2ccc(OCC#N)cc2)ccc1F ZINC000194515190 640537048 /nfs/dbraw/zinc/53/70/48/640537048.db2.gz NJCGAOHKZDSQSP-UHFFFAOYSA-N 0 3 284.334 3.326 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2CCOCC2)c([O-])c1 ZINC000194613743 640544307 /nfs/dbraw/zinc/54/43/07/640544307.db2.gz FOTQJQLDSBCCGF-QGOAFFKASA-N 0 3 290.407 3.084 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001007844507 640944877 /nfs/dbraw/zinc/94/48/77/640944877.db2.gz KWGOHJSYMGUHQQ-ZDUSSCGKSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014637054 640973886 /nfs/dbraw/zinc/97/38/86/640973886.db2.gz BNOOOVHRPLNPLU-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCCCC(C)C ZINC001155644968 805597944 /nfs/dbraw/zinc/59/79/44/805597944.db2.gz UDLJASBJLKVNMV-MRXNPFEDSA-N 0 3 280.456 3.053 20 30 CGEDHN CCCCCCCC[C@H](O)CNc1ccnc(CO)c1 ZINC001252123146 806011127 /nfs/dbraw/zinc/01/11/27/806011127.db2.gz DINJZAWNYHRPNB-INIZCTEOSA-N 0 3 280.412 3.097 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCc2[nH]ccc2C1 ZINC001252132262 806019066 /nfs/dbraw/zinc/01/90/66/806019066.db2.gz DCAJYDZFKIVPQY-INIZCTEOSA-N 0 3 278.440 3.484 20 30 CGEDHN C=C[C@@](C)(O)CN[C@@H](c1ccncc1)c1ccccc1C ZINC001252541596 806059127 /nfs/dbraw/zinc/05/91/27/806059127.db2.gz PEGQQEGLVCVIDL-ZWKOTPCHSA-N 0 3 282.387 3.006 20 30 CGEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc(Cl)c1F ZINC001252613029 806087780 /nfs/dbraw/zinc/08/77/80/806087780.db2.gz UQHBOXHMYICRNL-MNOVXSKESA-N 0 3 271.763 3.457 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1CCC(C#N)CC1 ZINC001253227709 806184869 /nfs/dbraw/zinc/18/48/69/806184869.db2.gz LCUMTNXOSRSARU-INIZCTEOSA-N 0 3 264.413 3.109 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cc(F)ccn1 ZINC001253251498 806196947 /nfs/dbraw/zinc/19/69/47/806196947.db2.gz LREMKVHTRIEXOL-MRXNPFEDSA-N 0 3 280.387 3.198 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1cccc(OC(C)(C)C)n1 ZINC001160953934 806328335 /nfs/dbraw/zinc/32/83/35/806328335.db2.gz MCBACALUJJMULH-AWEZNQCLSA-N 0 3 289.423 3.321 20 30 CGEDHN CN(C)/C=N/c1ccc(NCC(C)(C)C)cc1C#N ZINC001161641885 806409412 /nfs/dbraw/zinc/40/94/12/806409412.db2.gz OUMZRVHRCFPGMI-WOJGMQOQSA-N 0 3 258.369 3.238 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001161688725 806420167 /nfs/dbraw/zinc/42/01/67/806420167.db2.gz QAMZAEQCKHZASQ-INIZCTEOSA-N 0 3 292.467 3.383 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC001255019619 806526988 /nfs/dbraw/zinc/52/69/88/806526988.db2.gz RURCURBEVGMFDT-BBRMVZONSA-N 0 3 285.391 3.032 20 30 CGEDHN CC[C@H](CC#N)NCC1(Cc2ccccc2F)CC1 ZINC001255162174 806561889 /nfs/dbraw/zinc/56/18/89/806561889.db2.gz JIEVQDNWXAVYGV-CQSZACIVSA-N 0 3 260.356 3.430 20 30 CGEDHN CC[C@H](CC#N)N1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001255173937 806566272 /nfs/dbraw/zinc/56/62/72/806566272.db2.gz GJDJQASBSITWBQ-MJGOQNOKSA-N 0 3 297.446 3.374 20 30 CGEDHN N=C(NC1CCC(C(F)(F)F)CC1)c1ccc(F)cn1 ZINC001255507484 806657260 /nfs/dbraw/zinc/65/72/60/806657260.db2.gz PHMVTFMHGWRROV-UHFFFAOYSA-N 0 3 289.276 3.047 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000128413501 799018514 /nfs/dbraw/zinc/01/85/14/799018514.db2.gz UJYOOBOYAZGEKP-OAHLLOKOSA-N 0 3 286.375 3.333 20 30 CGEDHN N#Cc1ccc(F)c(N[C@H]2CNCc3ccsc32)c1 ZINC001163227192 806728112 /nfs/dbraw/zinc/72/81/12/806728112.db2.gz RMAQUZJIEIACAZ-ZDUSSCGKSA-N 0 3 273.336 3.015 20 30 CGEDHN Cc1nc(N[C@@H]2CNCc3ccsc32)c(C#N)c(C)c1C ZINC001163226292 806728576 /nfs/dbraw/zinc/72/85/76/806728576.db2.gz FIGZAEFWOXSHCV-CQSZACIVSA-N 0 3 298.415 3.196 20 30 CGEDHN Cc1cccc(N[C@@H]2CNCc3ccsc32)c1C#N ZINC001163230637 806731943 /nfs/dbraw/zinc/73/19/43/806731943.db2.gz YTNBIWRJXGREPY-CQSZACIVSA-N 0 3 269.373 3.185 20 30 CGEDHN N#CCc1cc(F)cc(N[C@H]2CNCc3ccsc32)c1 ZINC001163235610 806732101 /nfs/dbraw/zinc/73/21/01/806732101.db2.gz CJLIDRRPAWGGGV-AWEZNQCLSA-N 0 3 287.363 3.210 20 30 CGEDHN N#Cc1cc2[nH]ccc2c(N[C@H]2CNCc3ccsc32)c1 ZINC001163230941 806732231 /nfs/dbraw/zinc/73/22/31/806732231.db2.gz SSVHHCGUGQPKJA-HNNXBMFYSA-N 0 3 294.383 3.357 20 30 CGEDHN CCCCCCCCNCc1cn(C(C)C)nn1 ZINC000380749810 799366899 /nfs/dbraw/zinc/36/68/99/799366899.db2.gz MWOXOGMEEJFKMI-UHFFFAOYSA-N 0 3 252.406 3.309 20 30 CGEDHN C#C[C@@H](NCc1c(C)nn(-c2ccccc2)c1C)C(C)C ZINC000384785272 799419067 /nfs/dbraw/zinc/41/90/67/799419067.db2.gz XAHLXXMYETVHET-GOSISDBHSA-N 0 3 281.403 3.237 20 30 CGEDHN C=C(Br)CN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000389265660 799460894 /nfs/dbraw/zinc/46/08/94/799460894.db2.gz IFUIKYRXEYUCIB-VHSXEESVSA-N 0 3 278.259 3.405 20 30 CGEDHN C#C[C@H](NCc1c[nH]nc1-c1ccc(C)o1)C(C)(C)C ZINC000705244003 799947031 /nfs/dbraw/zinc/94/70/31/799947031.db2.gz KTIBFZNWATWIFM-AWEZNQCLSA-N 0 3 271.364 3.116 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCC2(CCC2)O1 ZINC000712387142 800086516 /nfs/dbraw/zinc/08/65/16/800086516.db2.gz KWYDWPNXJHLSIY-MRXNPFEDSA-N 0 3 270.376 3.092 20 30 CGEDHN C#CC[C@H](COC)N[C@@H](C)c1cc2ccccc2o1 ZINC000716812320 800181593 /nfs/dbraw/zinc/18/15/93/800181593.db2.gz SGOBSKHVYYTZPV-GXTWGEPZSA-N 0 3 257.333 3.122 20 30 CGEDHN C=C1CCC(CN[C@@H](C)c2cn(CCC)nn2)CC1 ZINC000724446351 800362037 /nfs/dbraw/zinc/36/20/37/800362037.db2.gz HJSOAECGXKLFAG-ZDUSSCGKSA-N 0 3 262.401 3.085 20 30 CGEDHN N#Cc1ccc(CN2CCC(F)(C3CC3)CC2)cc1 ZINC000724836828 800366844 /nfs/dbraw/zinc/36/68/44/800366844.db2.gz XXSIRQZNXBKECC-UHFFFAOYSA-N 0 3 258.340 3.272 20 30 CGEDHN C[C@@H]1C[C@@H]([NH2+]CCCCC#N)c2c1c(F)ccc2[O-] ZINC000756534351 800380601 /nfs/dbraw/zinc/38/06/01/800380601.db2.gz KEDZVIBBLVSHHT-ZYHUDNBSSA-N 0 3 262.328 3.363 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2cc(OC)cc(OC)c2)cc1 ZINC000809547994 800444947 /nfs/dbraw/zinc/44/49/47/800444947.db2.gz YKKKLIJLQDIUMI-UHFFFAOYSA-N 0 3 295.382 3.317 20 30 CGEDHN CCCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000822876863 800464401 /nfs/dbraw/zinc/46/44/01/800464401.db2.gz JIIXIQGFJMSSDZ-GQVHDAKQSA-N 0 3 297.358 3.298 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001006210229 800699594 /nfs/dbraw/zinc/69/95/94/800699594.db2.gz HZCASLAMKPPXBY-RDJZCZTQSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCC[C@@H](CNC(=O)c2sccc2Cl)C1 ZINC001023385249 800709848 /nfs/dbraw/zinc/70/98/48/800709848.db2.gz UFUVONQCLVASGI-NSHDSACASA-N 0 3 298.839 3.029 20 30 CGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001024294092 800722516 /nfs/dbraw/zinc/72/25/16/800722516.db2.gz BENBNXBGRXOUCN-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001027898841 800825721 /nfs/dbraw/zinc/82/57/21/800825721.db2.gz PRSONBJSCAPZOB-CYBMUJFWSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001028202802 800836523 /nfs/dbraw/zinc/83/65/23/800836523.db2.gz IFUKOSLZHCYWJK-CQSZACIVSA-N 0 3 294.345 3.004 20 30 CGEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC ZINC001029323252 800867205 /nfs/dbraw/zinc/86/72/05/800867205.db2.gz VLVFDKZQKQJYFA-OKILXGFUSA-N 0 3 298.858 3.240 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001033152344 800954144 /nfs/dbraw/zinc/95/41/44/800954144.db2.gz QPJVULVSXZINLW-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033181219 800954791 /nfs/dbraw/zinc/95/47/91/800954791.db2.gz GVRLFNFVIYKGFL-IAGOWNOFSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033237557 800956426 /nfs/dbraw/zinc/95/64/26/800956426.db2.gz JVHUEOBORQCFQW-ZDUSSCGKSA-N 0 3 292.448 3.033 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033693083 800974449 /nfs/dbraw/zinc/97/44/49/800974449.db2.gz OPPXOWATPKKMSO-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736201 800980926 /nfs/dbraw/zinc/98/09/26/800980926.db2.gz JMKRWFCIQHCVJR-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033873507 800987342 /nfs/dbraw/zinc/98/73/42/800987342.db2.gz PKZXWAGGJKKYOA-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033945328 800991605 /nfs/dbraw/zinc/99/16/05/800991605.db2.gz LSMCPRHHLLLQCV-GFCCVEGCSA-N 0 3 296.798 3.046 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034331039 801016968 /nfs/dbraw/zinc/01/69/68/801016968.db2.gz POBVPPLJKHQILG-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034354564 801019383 /nfs/dbraw/zinc/01/93/83/801019383.db2.gz MUCWIRQZFUTBNU-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001034560650 801033676 /nfs/dbraw/zinc/03/36/76/801033676.db2.gz XDDYMGSXILVUKX-CQSZACIVSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001038952986 801137426 /nfs/dbraw/zinc/13/74/26/801137426.db2.gz PUJBAVUJRLUUPL-KRWDZBQOSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038972317 801140219 /nfs/dbraw/zinc/14/02/19/801140219.db2.gz IPQBNOCOFRQCTD-KRWDZBQOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC001038991183 801140782 /nfs/dbraw/zinc/14/07/82/801140782.db2.gz YPDCQCKCZSPZFO-INIZCTEOSA-N 0 3 294.398 3.220 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001038980126 801140964 /nfs/dbraw/zinc/14/09/64/801140964.db2.gz VAMAHZNNBGTFRB-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2coc3ccccc23)CC1 ZINC001045651870 801284579 /nfs/dbraw/zinc/28/45/79/801284579.db2.gz JIZVYVSAFVJGRC-UHFFFAOYSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2csc(Cl)c2)C1 ZINC001046674640 801320727 /nfs/dbraw/zinc/32/07/27/801320727.db2.gz YLZTWVODEQVRBI-CQSZACIVSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049300590 801362892 /nfs/dbraw/zinc/36/28/92/801362892.db2.gz COMVUOOXHSZXND-ZIAGYGMSSA-N 0 3 290.432 3.003 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049904976 801394028 /nfs/dbraw/zinc/39/40/28/801394028.db2.gz UVGZVTGJCADJJE-HUUCEWRRSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(C[C@@H](F)CC)CC2)C1 ZINC001052693687 801448942 /nfs/dbraw/zinc/44/89/42/801448942.db2.gz XFMDZQYQFRSOJS-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)C3CC=CC3)cc2C1 ZINC001054259696 801481286 /nfs/dbraw/zinc/48/12/86/801481286.db2.gz NJSMEYMMLGVWKC-UHFFFAOYSA-N 0 3 296.414 3.161 20 30 CGEDHN C=CCN1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071420982 801536742 /nfs/dbraw/zinc/53/67/42/801536742.db2.gz WIDHWXVEUUMBCH-XJKSGUPXSA-N 0 3 276.424 3.032 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001071491150 801541395 /nfs/dbraw/zinc/54/13/95/801541395.db2.gz XHRBQOSPJIECGB-VXGBXAGGSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C3CC3)CCC2)CC[C@@H]1C ZINC001071709017 801546756 /nfs/dbraw/zinc/54/67/56/801546756.db2.gz PMZGXWJIIIYIFF-HOCLYGCPSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071761894 801549803 /nfs/dbraw/zinc/54/98/03/801549803.db2.gz FEMXVTWVIADLON-ZBFHGGJFSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)N(CC=C(C)C)C2)C1 ZINC001071804162 801554990 /nfs/dbraw/zinc/55/49/90/801554990.db2.gz XQZHKEXNUCJCFG-JKSUJKDBSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC=CCC2)CC[C@@H]1C ZINC001072079684 801563277 /nfs/dbraw/zinc/56/32/77/801563277.db2.gz QWZXORPHULDTLV-RDJZCZTQSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3)[C@@H]2C1 ZINC001076492208 801619584 /nfs/dbraw/zinc/61/95/84/801619584.db2.gz COMYNKZYYSIJPE-ZWKOTPCHSA-N 0 3 298.430 3.142 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC001085131655 801677626 /nfs/dbraw/zinc/67/76/26/801677626.db2.gz WXOVFCXBBWDMIK-RBSFLKMASA-N 0 3 296.842 3.112 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085675750 801697508 /nfs/dbraw/zinc/69/75/08/801697508.db2.gz ZFUVJLCHIKISII-PQUAAJSLSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC001086461991 801728702 /nfs/dbraw/zinc/72/87/02/801728702.db2.gz GXVRJPZGOUHSDC-MXAVVETBSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001086461992 801728727 /nfs/dbraw/zinc/72/87/27/801728727.db2.gz GXVRJPZGOUHSDC-NMFUWQPSSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1CC ZINC001087805004 801768257 /nfs/dbraw/zinc/76/82/57/801768257.db2.gz IXAGUFLAFFTPNL-LSDHHAIUSA-N 0 3 292.810 3.109 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2CCCC2)C1 ZINC001088248107 801777385 /nfs/dbraw/zinc/77/73/85/801777385.db2.gz ILEAGPGDMJGAQN-HNNXBMFYSA-N 0 3 298.858 3.290 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1C ZINC001088627293 801804685 /nfs/dbraw/zinc/80/46/85/801804685.db2.gz IJPCUJVJCCBCTQ-ZBFHGGJFSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1C ZINC001089068125 801821188 /nfs/dbraw/zinc/82/11/88/801821188.db2.gz NJLOYQPHKXCHMT-NDUQDZPOSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001098888373 801917738 /nfs/dbraw/zinc/91/77/38/801917738.db2.gz MOTRFULKIUXAGJ-CVEARBPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102264671 802004117 /nfs/dbraw/zinc/00/41/17/802004117.db2.gz VBSSSEAOUASBDF-ZQXYTJGRSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H](C)CC)C2 ZINC001109874582 802126719 /nfs/dbraw/zinc/12/67/19/802126719.db2.gz KNOJRQCDPTVWEH-WCVJEAGWSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(F)CCCC)C2 ZINC001110742649 802147465 /nfs/dbraw/zinc/14/74/65/802147465.db2.gz NVMKXVIUYCJZOV-AIANPOQGSA-N 0 3 296.430 3.202 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110966690 802152404 /nfs/dbraw/zinc/15/24/04/802152404.db2.gz BIVDLPDIVYVWDG-OAGGEKHMSA-N 0 3 276.424 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CCC)C2 ZINC001110970372 802152711 /nfs/dbraw/zinc/15/27/11/802152711.db2.gz RTNDDCZMBCYXDG-KFWWJZLASA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110964442 802152858 /nfs/dbraw/zinc/15/28/58/802152858.db2.gz LHPVCMMZQFZQBS-KURKYZTESA-N 0 3 298.430 3.264 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001113217862 802207558 /nfs/dbraw/zinc/20/75/58/802207558.db2.gz MPHIZJKJQFFEEJ-QOBZYLRHSA-N 0 3 276.424 3.008 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CC2(C)C)CCCCC1 ZINC001115486951 802266829 /nfs/dbraw/zinc/26/68/29/802266829.db2.gz YQRLYOYHXUKLGE-ZDUSSCGKSA-N 0 3 298.858 3.194 20 30 CGEDHN C#CCN(Cc1ccc([S@@](C)=O)cc1)C1CCCCC1 ZINC001116443210 802348816 /nfs/dbraw/zinc/34/88/16/802348816.db2.gz KFQKNBVLKXLJAR-HXUWFJFHSA-N 0 3 289.444 3.192 20 30 CGEDHN C[C@@H](N)c1nc2ccccc2n1[C@H](C)CCCC#N ZINC001172476294 808342553 /nfs/dbraw/zinc/34/25/53/808342553.db2.gz JOTBYIUNMHIZRN-VXGBXAGGSA-N 0 3 256.353 3.311 20 30 CGEDHN C=C[C@H](COC)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC001117504703 802468773 /nfs/dbraw/zinc/46/87/73/802468773.db2.gz YXNZJYLQUUUAEI-MLGOLLRUSA-N 0 3 270.376 3.336 20 30 CGEDHN COC[C@H]1CCCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001119819600 802701984 /nfs/dbraw/zinc/70/19/84/802701984.db2.gz QOEORRVRFUDPJJ-ZDUSSCGKSA-N 0 3 292.810 3.460 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC001122038881 802858047 /nfs/dbraw/zinc/85/80/47/802858047.db2.gz QYWAAPSRQAWXPT-DOTOQJQBSA-N 0 3 276.424 3.019 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(F)F)cc1 ZINC001122227856 802863999 /nfs/dbraw/zinc/86/39/99/802863999.db2.gz RKPFOTXZHAIWHD-SNVBAGLBSA-N 0 3 274.698 3.033 20 30 CGEDHN CC[C@H](F)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC001122392956 802868079 /nfs/dbraw/zinc/86/80/79/802868079.db2.gz GNUOQSBZNGLAKX-NEPJUHHUSA-N 0 3 256.280 3.159 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CC=CCC2)c1 ZINC001122449208 802870147 /nfs/dbraw/zinc/87/01/47/802870147.db2.gz RPAZTRYGDKZGHO-ZBFHGGJFSA-N 0 3 296.370 3.389 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCC=CCCC1 ZINC001123336508 802929913 /nfs/dbraw/zinc/92/99/13/802929913.db2.gz IBQZGFNSGORLMT-RYUDHWBXSA-N 0 3 291.782 3.386 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCC=CCCC1 ZINC001123336509 802930355 /nfs/dbraw/zinc/93/03/55/802930355.db2.gz IBQZGFNSGORLMT-VXGBXAGGSA-N 0 3 291.782 3.386 20 30 CGEDHN N#CC1(c2cccc(-c3ccc4[nH]c(N)nc4c3)c2)CC1 ZINC001244073818 803172113 /nfs/dbraw/zinc/17/21/13/803172113.db2.gz KTPLCBJILDLNDC-UHFFFAOYSA-N 0 3 274.327 3.367 20 30 CGEDHN N#CC1(c2cccc(-c3ccc4nc(N)[nH]c4c3)c2)CC1 ZINC001244073818 803172116 /nfs/dbraw/zinc/17/21/16/803172116.db2.gz KTPLCBJILDLNDC-UHFFFAOYSA-N 0 3 274.327 3.367 20 30 CGEDHN CCCCCCCN1C[C@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131742772 803339721 /nfs/dbraw/zinc/33/97/21/803339721.db2.gz HFDMRPLNIADJIZ-QWHCGFSZSA-N 0 3 290.398 3.191 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@H]1C ZINC001132079060 803372600 /nfs/dbraw/zinc/37/26/00/803372600.db2.gz SIESZWIKVPPRSH-TZMCWYRMSA-N 0 3 298.858 3.310 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001132302204 803393198 /nfs/dbraw/zinc/39/31/98/803393198.db2.gz NXWBNQDOODEVRY-UHFFFAOYSA-N 0 3 294.826 3.148 20 30 CGEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001132569636 803414647 /nfs/dbraw/zinc/41/46/47/803414647.db2.gz VPMGCNOJPGFHSN-QWHCGFSZSA-N 0 3 294.826 3.004 20 30 CGEDHN N#CCc1cccc(C2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001245423645 803732753 /nfs/dbraw/zinc/73/27/53/803732753.db2.gz JGRNIHZYNLSNEI-SFHVURJKSA-N 0 3 282.387 3.021 20 30 CGEDHN COc1ccc(CN2CCCCCCC2)c(C#N)c1 ZINC001137704857 803760996 /nfs/dbraw/zinc/76/09/96/803760996.db2.gz XHRXIGKLIQYXSV-UHFFFAOYSA-N 0 3 258.365 3.333 20 30 CGEDHN Cc1c(CN2CCC(C#N)CC2)c2ccccc2n1C ZINC001138252842 803882638 /nfs/dbraw/zinc/88/26/38/803882638.db2.gz WMGIPHCEXRPJAF-UHFFFAOYSA-N 0 3 267.376 3.222 20 30 CGEDHN CN(Cc1ccc(C#Cc2ccccc2)cc1)[C@@H]1CCOC1 ZINC001138336031 803899238 /nfs/dbraw/zinc/89/92/38/803899238.db2.gz IAQMCPUYVLKKLG-HXUWFJFHSA-N 0 3 291.394 3.307 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1[O-] ZINC001138625635 803983375 /nfs/dbraw/zinc/98/33/75/803983375.db2.gz RFHYGADZCZAXHU-GOSISDBHSA-N 0 3 287.403 3.123 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1[O-] ZINC001138625635 803983379 /nfs/dbraw/zinc/98/33/79/803983379.db2.gz RFHYGADZCZAXHU-GOSISDBHSA-N 0 3 287.403 3.123 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@]2(CCCO2)C1 ZINC001139029420 804112858 /nfs/dbraw/zinc/11/28/58/804112858.db2.gz XMFIMAPPTPSWTB-QGZVFWFLSA-N 0 3 273.376 3.006 20 30 CGEDHN C=CCOc1ccccc1CN(CCOC)C(C)C ZINC001139029516 804113929 /nfs/dbraw/zinc/11/39/29/804113929.db2.gz BLTTYAMLAHXWAL-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN CCCCCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094060 804125720 /nfs/dbraw/zinc/12/57/20/804125720.db2.gz QZILZUHMJWIDDE-UHFFFAOYSA-N 0 3 287.411 3.269 20 30 CGEDHN CCCCCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094060 804125723 /nfs/dbraw/zinc/12/57/23/804125723.db2.gz QZILZUHMJWIDDE-UHFFFAOYSA-N 0 3 287.411 3.269 20 30 CGEDHN CCCCCCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094060 804125726 /nfs/dbraw/zinc/12/57/26/804125726.db2.gz QZILZUHMJWIDDE-UHFFFAOYSA-N 0 3 287.411 3.269 20 30 CGEDHN CCCCCCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094060 804125730 /nfs/dbraw/zinc/12/57/30/804125730.db2.gz QZILZUHMJWIDDE-UHFFFAOYSA-N 0 3 287.411 3.269 20 30 CGEDHN N#CCC1CCN(Cc2cc3ccccc3cn2)CC1 ZINC001139999642 804347279 /nfs/dbraw/zinc/34/72/79/804347279.db2.gz XVKRVXMBSQGRDV-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN C=CCN(C)Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001140414999 804430119 /nfs/dbraw/zinc/43/01/19/804430119.db2.gz FYAMUDZZWXGJLR-UHFFFAOYSA-N 0 3 273.767 3.415 20 30 CGEDHN CCCCCCCC[C@H](CC)N1CC2(C1)CNCCO2 ZINC001246618495 804452214 /nfs/dbraw/zinc/45/22/14/804452214.db2.gz GBSPKDVWKCDKQJ-INIZCTEOSA-N 0 3 282.472 3.190 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)cn1 ZINC001140543160 804457983 /nfs/dbraw/zinc/45/79/83/804457983.db2.gz LEESCSMCDPXGGI-QGZVFWFLSA-N 0 3 291.398 3.408 20 30 CGEDHN COc1ccc(F)c(CNC2CCC(C#N)CC2)c1F ZINC001256956482 807014587 /nfs/dbraw/zinc/01/45/87/807014587.db2.gz VMRYNQDAKFCHHD-UHFFFAOYSA-N 0 3 280.318 3.145 20 30 CGEDHN CC[C@@H]1CCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141112198 804591510 /nfs/dbraw/zinc/59/15/10/804591510.db2.gz SKTBDSMVFXYGQX-MRVPVSSYSA-N 0 3 269.801 3.230 20 30 CGEDHN CCCc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001142353928 804717482 /nfs/dbraw/zinc/71/74/82/804717482.db2.gz FBTZFKDNDZVBMR-MRXNPFEDSA-N 0 3 287.428 3.413 20 30 CGEDHN CCCc1ccc(CN2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001142353928 804717488 /nfs/dbraw/zinc/71/74/88/804717488.db2.gz FBTZFKDNDZVBMR-MRXNPFEDSA-N 0 3 287.428 3.413 20 30 CGEDHN N#Cc1ccc(C2CCC(N3C[C@H]4C[C@@H](C3)O4)CC2)cc1 ZINC001257020083 807029462 /nfs/dbraw/zinc/02/94/62/807029462.db2.gz ZFJVCQVPJBXVKO-OWCVQMPJSA-N 0 3 282.387 3.058 20 30 CGEDHN N#Cc1cncc(CN2CCCC3(CC(F)C3)CC2)c1 ZINC001144083722 804935326 /nfs/dbraw/zinc/93/53/26/804935326.db2.gz QJONDJRWUAFUFC-UHFFFAOYSA-N 0 3 273.355 3.057 20 30 CGEDHN N#C[C@H]1CCCN(Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817612 805003926 /nfs/dbraw/zinc/00/39/26/805003926.db2.gz CWAXELHSEWZHOI-LBPRGKRZSA-N 0 3 271.339 3.433 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)CCC(C)(C)C)C2)C1 ZINC001148620624 805201534 /nfs/dbraw/zinc/20/15/34/805201534.db2.gz UMTVSMDCCZIDJB-OAHLLOKOSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)C(C)(C)CCCCC)C2)C1 ZINC001148804729 805210808 /nfs/dbraw/zinc/21/08/08/805210808.db2.gz XRWAIIBUYQUHNL-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN COCC[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC001249685023 805211171 /nfs/dbraw/zinc/21/11/71/805211171.db2.gz AULXCQYSOBMPSE-HNNXBMFYSA-N 0 3 276.355 3.088 20 30 CGEDHN CCC[C@H](CC)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001257267229 807081627 /nfs/dbraw/zinc/08/16/27/807081627.db2.gz VQYZVXHQIYAGRO-HNNXBMFYSA-N 0 3 289.398 3.398 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)CCCCC ZINC001167694364 807227701 /nfs/dbraw/zinc/22/77/01/807227701.db2.gz TTZXWPDLVPMQBG-CYBMUJFWSA-N 0 3 288.863 3.441 20 30 CGEDHN C[Si](C)(C)C#CNCc1nccc2ccccc21 ZINC001167703011 807229962 /nfs/dbraw/zinc/22/99/62/807229962.db2.gz DAWCVHPQEOMAEO-UHFFFAOYSA-N 0 3 254.409 3.163 20 30 CGEDHN CCCCCCC[C@@H](C)n1cc(CN)c(C)nc1=N ZINC001258042433 807272093 /nfs/dbraw/zinc/27/20/93/807272093.db2.gz ARXRDJPJFFYGIF-GFCCVEGCSA-N 0 3 264.417 3.051 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(c2cnccn2)CC1 ZINC001258044528 807274494 /nfs/dbraw/zinc/27/44/94/807274494.db2.gz PUDODSGLPWNALZ-MRXNPFEDSA-N 0 3 290.455 3.348 20 30 CGEDHN CCCCCCC[C@@H](C)N1CCN(C(C)=O)[C@@H](C)C1 ZINC001258049205 807275216 /nfs/dbraw/zinc/27/52/16/807275216.db2.gz BNCIYVZLCQBSCT-CABCVRRESA-N 0 3 268.445 3.288 20 30 CGEDHN C=CC[C@@H](C)N1CCO[C@@H](CCc2ccccc2)C1 ZINC001169080923 807569344 /nfs/dbraw/zinc/56/93/44/807569344.db2.gz XKVAZTHCZMWFQD-WBVHZDCISA-N 0 3 259.393 3.285 20 30 CGEDHN CC(C)[C@H](C#N)c1ccc(-n2ccc([C@H](C)N)n2)cc1 ZINC001169232382 807609633 /nfs/dbraw/zinc/60/96/33/807609633.db2.gz DVQQMPNVGHPILP-WFASDCNBSA-N 0 3 268.364 3.155 20 30 CGEDHN Cc1c2[nH]cnc2ccc1NCc1ccc(C#N)s1 ZINC001170203443 807795190 /nfs/dbraw/zinc/79/51/90/807795190.db2.gz WSGSEVDGCDUOQO-UHFFFAOYSA-N 0 3 268.345 3.417 20 30 CGEDHN CC(C)(S)CNc1cc(CN2CCCCC2)ccn1 ZINC001170302709 807822259 /nfs/dbraw/zinc/82/22/59/807822259.db2.gz UTXCTFWRKCIMHN-UHFFFAOYSA-N 0 3 279.453 3.188 20 30 CGEDHN COC[C@@H](NCCCCC1(C#N)CCC1)c1ccco1 ZINC001262256953 807842557 /nfs/dbraw/zinc/84/25/57/807842557.db2.gz YRFVECLXRIIXMI-CQSZACIVSA-N 0 3 276.380 3.421 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(C)(C)C)nc1 ZINC001263255575 807942524 /nfs/dbraw/zinc/94/25/24/807942524.db2.gz DSGMQNIXXCECEZ-ZDUSSCGKSA-N 0 3 275.396 3.001 20 30 CGEDHN C=C(C)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC001263332088 807947948 /nfs/dbraw/zinc/94/79/48/807947948.db2.gz HCOWIJCDNOIGGG-NSHDSACASA-N 0 3 254.289 3.360 20 30 CGEDHN N#CC(C(=O)CCC1CC1)c1nccn1Cc1ccccc1 ZINC001263332311 807948274 /nfs/dbraw/zinc/94/82/74/807948274.db2.gz LNAASAJSYOVVQC-MRXNPFEDSA-N 0 3 293.370 3.298 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC[C@H]1c1cnccn1 ZINC001171220855 808011543 /nfs/dbraw/zinc/01/15/43/808011543.db2.gz FADMIOYHVGLFLL-KDOFPFPSSA-N 0 3 292.386 3.116 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC(CC)CC)C1 ZINC001263847951 808011560 /nfs/dbraw/zinc/01/15/60/808011560.db2.gz CCEOLDBPNFJLAC-OKILXGFUSA-N 0 3 286.847 3.050 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N(C)Cc1cncs1 ZINC001171230042 808014207 /nfs/dbraw/zinc/01/42/07/808014207.db2.gz RVBXNRLHZVADNJ-LBPRGKRZSA-N 0 3 271.389 3.078 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171300034 808023012 /nfs/dbraw/zinc/02/30/12/808023012.db2.gz VLBICLQHIOYCHK-VXGBXAGGSA-N 0 3 292.810 3.488 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001264370955 808060123 /nfs/dbraw/zinc/06/01/23/808060123.db2.gz MYPIXOUZKOMKNI-FTJRJAGUSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001171459174 808064654 /nfs/dbraw/zinc/06/46/54/808064654.db2.gz SKEHMGBFPLNTPN-RRFJBIMHSA-N 0 3 279.424 3.252 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001265297703 808126599 /nfs/dbraw/zinc/12/65/99/808126599.db2.gz WJJBDWZPNXIDEY-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001265306340 808129196 /nfs/dbraw/zinc/12/91/96/808129196.db2.gz NWKABMCGGGYBFK-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001265596596 808159715 /nfs/dbraw/zinc/15/97/15/808159715.db2.gz GQIRUUQKYNLOFJ-DLBZAZTESA-N 0 3 292.467 3.054 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CC(N2CC(F)C2)C1 ZINC001172356417 808252622 /nfs/dbraw/zinc/25/26/22/808252622.db2.gz ITVFBGZDFBYBHC-OAHLLOKOSA-N 0 3 270.436 3.463 20 30 CGEDHN CCCCCCC[C@H](CC)N1CCN(C(=O)NC)CC1 ZINC001172362356 808256422 /nfs/dbraw/zinc/25/64/22/808256422.db2.gz WPSHIFANKGFITN-HNNXBMFYSA-N 0 3 283.460 3.083 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCC=CCCC1)C1CC1 ZINC001266597084 808293855 /nfs/dbraw/zinc/29/38/55/808293855.db2.gz UXOHRISVESHFGF-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001266853439 808323465 /nfs/dbraw/zinc/32/34/65/808323465.db2.gz MINHWQIMYSCSDH-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCN1CC(=C)C ZINC001266853540 808323588 /nfs/dbraw/zinc/32/35/88/808323588.db2.gz NPXDNUCWUZWSLK-HOTGVXAUSA-N 0 3 278.440 3.136 20 30 CGEDHN Cc1ccc(F)c(CN[C@@H](C)CCCC#N)c1F ZINC001172481855 808345168 /nfs/dbraw/zinc/34/51/68/808345168.db2.gz YPNMMJYJXXECRD-NSHDSACASA-N 0 3 252.308 3.445 20 30 CGEDHN COc1ccc(F)c(F)c1CN[C@H](C)CCCC#N ZINC001172483290 808345427 /nfs/dbraw/zinc/34/54/27/808345427.db2.gz OJXBZWXESBYISZ-SNVBAGLBSA-N 0 3 268.307 3.145 20 30 CGEDHN COc1cc2c(cc1OC)CN([C@@H](C)CCCC#N)CC2 ZINC001172506888 808361638 /nfs/dbraw/zinc/36/16/38/808361638.db2.gz LGTVIAYWACXPJN-ZDUSSCGKSA-N 0 3 288.391 3.144 20 30 CGEDHN CCCCCCCC[C@@H](CC)N1CCO[C@@H](CO)C1 ZINC001172506010 808363217 /nfs/dbraw/zinc/36/32/17/808363217.db2.gz ZBQMNFFTCUUJGU-HZPDHXFCSA-N 0 3 271.445 3.209 20 30 CGEDHN C=CCN[C@H](CNC(=O)C[C@@H]1C=CCCC1)c1ccccc1 ZINC001267362744 808421710 /nfs/dbraw/zinc/42/17/10/808421710.db2.gz VMGPKLSITJNDQX-SJLPKXTDSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001267750963 808483403 /nfs/dbraw/zinc/48/34/03/808483403.db2.gz LETHQMWDNCNPTM-HZPDHXFCSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)c2ccsc2)CCCC1 ZINC001268032398 808530065 /nfs/dbraw/zinc/53/00/65/808530065.db2.gz KQRKYCDZFHBWDN-UHFFFAOYSA-N 0 3 298.839 3.133 20 30 CGEDHN CCc1ccc(C[C@H](C)NC(=N)c2ccc(F)cn2)cc1 ZINC001173236061 808544372 /nfs/dbraw/zinc/54/43/72/808544372.db2.gz ROCBNFBIGBTHKW-LBPRGKRZSA-N 0 3 285.366 3.120 20 30 CGEDHN C=CC1(CC(=O)N(C)CCN(C)CCCF)CCCCC1 ZINC001268252855 808569430 /nfs/dbraw/zinc/56/94/30/808569430.db2.gz HANMKZBXCQNNDC-UHFFFAOYSA-N 0 3 298.446 3.263 20 30 CGEDHN CCCCN(CCC#N)[C@@H](C)CCCCC(=O)OC ZINC001173454596 808639596 /nfs/dbraw/zinc/63/95/96/808639596.db2.gz GQYZATTTZRYAGD-AWEZNQCLSA-N 0 3 268.401 3.124 20 30 CGEDHN Cc1cccc(C2(NC3CCC(C)(C#N)CC3)COC2)c1 ZINC001173586478 808647307 /nfs/dbraw/zinc/64/73/07/808647307.db2.gz SQMJBXGMGBIJSR-UHFFFAOYSA-N 0 3 284.403 3.283 20 30 CGEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001269193147 808652558 /nfs/dbraw/zinc/65/25/58/808652558.db2.gz BOYIYZGCAARNOT-OAHLLOKOSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001269215765 808655950 /nfs/dbraw/zinc/65/59/50/808655950.db2.gz QZWJEWMBZIYBEX-ZFWWWQNUSA-N 0 3 290.407 3.055 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001269353005 808673603 /nfs/dbraw/zinc/67/36/03/808673603.db2.gz YOKCTNMMYHVZCB-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C1CCC(C(=O)N2CCC[C@@H]2CNC[C@H](F)CC)CC1 ZINC001270128889 808718438 /nfs/dbraw/zinc/71/84/38/808718438.db2.gz KMABLHKNEDCZFS-HZPDHXFCSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)CCCCCC(C)C)C1 ZINC001270633649 808741022 /nfs/dbraw/zinc/74/10/22/808741022.db2.gz VUMBGYKJQSCUKQ-KRWDZBQOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(Cl)c1C ZINC001272021255 808794127 /nfs/dbraw/zinc/79/41/27/808794127.db2.gz XNLMSIVOZQEHQF-UHFFFAOYSA-N 0 3 294.826 3.228 20 30 CGEDHN C=CCC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001272726582 808822528 /nfs/dbraw/zinc/82/25/28/808822528.db2.gz WWSXUSCCVBVCQK-HNNXBMFYSA-N 0 3 278.440 3.254 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001273464356 808846933 /nfs/dbraw/zinc/84/69/33/808846933.db2.gz BPTFCULNHWPCDX-SJORKVTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCN1CCCC[C@]12CC(=O)N(CC=C(C)C)C2 ZINC001273487293 808848978 /nfs/dbraw/zinc/84/89/78/808848978.db2.gz XCRWIBFKFAHFSV-GOSISDBHSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CC1(C)CCCCC1 ZINC001275121538 808912395 /nfs/dbraw/zinc/91/23/95/808912395.db2.gz OQCSXZSKNOMXJD-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN CC(C)(C)c1cc(Nc2cnccc2C#N)ccn1 ZINC001213162975 815248093 /nfs/dbraw/zinc/24/80/93/815248093.db2.gz PKZATHYQZNXCQF-UHFFFAOYSA-N 0 3 252.321 3.389 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001276956824 809049736 /nfs/dbraw/zinc/04/97/36/809049736.db2.gz OGEZMSXIZREEHF-CQSZACIVSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CC12CCCC2 ZINC001277335144 809069617 /nfs/dbraw/zinc/06/96/17/809069617.db2.gz IOKOJEARXYTUDJ-KGLIPLIRSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCCC(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001277570598 809081766 /nfs/dbraw/zinc/08/17/66/809081766.db2.gz NWLVXFYBNIHRDK-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001278437200 809133908 /nfs/dbraw/zinc/13/39/08/809133908.db2.gz AANXWKOMEOSFCN-WBVHZDCISA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)C1CC1 ZINC001281767665 809220019 /nfs/dbraw/zinc/22/00/19/809220019.db2.gz CMSRDZNRBLEVSP-GOSISDBHSA-N 0 3 298.430 3.078 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](C)C(CC)CC)C(C)(C)C1 ZINC001282812654 809263741 /nfs/dbraw/zinc/26/37/41/809263741.db2.gz PBNVZODUIIXVIC-HOCLYGCPSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CC=C(C)C)[C@@H]1C ZINC001284128894 809297488 /nfs/dbraw/zinc/29/74/88/809297488.db2.gz DXQPKYYTMWSDSX-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1ccccc1)C(C)C ZINC001284559004 809309546 /nfs/dbraw/zinc/30/95/46/809309546.db2.gz SLFRSXWMUCFQBP-MRXNPFEDSA-N 0 3 288.435 3.145 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1ccccc1 ZINC001175314324 809351343 /nfs/dbraw/zinc/35/13/43/809351343.db2.gz ASFRBJQYHNYXQD-ZDUSSCGKSA-N 0 3 294.826 3.029 20 30 CGEDHN N#Cc1cncc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175505117 809433028 /nfs/dbraw/zinc/43/30/28/809433028.db2.gz KWABKYHLOAFUTP-UHFFFAOYSA-N 0 3 290.370 3.155 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2ccccc2c1 ZINC001297377853 809515970 /nfs/dbraw/zinc/51/59/70/809515970.db2.gz BLZXTDCMHJJMHR-UHFFFAOYSA-N 0 3 296.414 3.420 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1sccc1SC ZINC001297373317 809516215 /nfs/dbraw/zinc/51/62/15/809516215.db2.gz ROKKRFWQZIDHDM-UHFFFAOYSA-N 0 3 298.477 3.050 20 30 CGEDHN N#Cc1ccc(CCNCc2nc3cc(F)ccc3o2)cc1 ZINC001179143047 809906563 /nfs/dbraw/zinc/90/65/63/809906563.db2.gz PUUXZKDCYCXUNC-UHFFFAOYSA-N 0 3 295.317 3.171 20 30 CGEDHN C(#Cc1ccccc1)CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001181869474 810077815 /nfs/dbraw/zinc/07/78/15/810077815.db2.gz CGXCRWPJCFJWQV-ROUUACIJSA-N 0 3 251.373 3.159 20 30 CGEDHN C=CCC[C@@H](CC)N[C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184328651 810192985 /nfs/dbraw/zinc/19/29/85/810192985.db2.gz QDULFHGKRBVJBL-ZIAGYGMSSA-N 0 3 280.799 3.201 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001192161361 810771977 /nfs/dbraw/zinc/77/19/77/810771977.db2.gz IMGFNRWGNZPXBU-DOTOQJQBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192514272 810804481 /nfs/dbraw/zinc/80/44/81/810804481.db2.gz WVBRVLVVOXGEKX-CABCVRRESA-N 0 3 280.456 3.168 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N[C@@H]1CCN(CC)C1 ZINC001192949754 810833608 /nfs/dbraw/zinc/83/36/08/810833608.db2.gz PKURVVKAUIARRS-LSDHHAIUSA-N 0 3 283.460 3.129 20 30 CGEDHN C#CCCN1CCN(Cc2ccc(CC(C)C)cc2)CC1 ZINC001193044930 810847497 /nfs/dbraw/zinc/84/74/97/810847497.db2.gz SEOXCWLOZWPCPL-UHFFFAOYSA-N 0 3 284.447 3.026 20 30 CGEDHN CCCN(CCCC(C)(C)C#N)[C@@H](CC)C(=O)OCC ZINC001193364520 810879181 /nfs/dbraw/zinc/87/91/81/810879181.db2.gz MDLGUALUBUEQPV-AWEZNQCLSA-N 0 3 282.428 3.370 20 30 CGEDHN CCCCO[C@@H]1C[C@H](NCc2cc(C#N)ccn2)C1(C)C ZINC001194193618 811032394 /nfs/dbraw/zinc/03/23/94/811032394.db2.gz VOSPDASGFWPZND-JKSUJKDBSA-N 0 3 287.407 3.027 20 30 CGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001198457636 811505089 /nfs/dbraw/zinc/50/50/89/811505089.db2.gz GANRPZRAPJLLKI-CQSZACIVSA-N 0 3 290.407 3.310 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCO[C@H](c3ccccc3)CC2)C1 ZINC001198708562 811536640 /nfs/dbraw/zinc/53/66/40/811536640.db2.gz ZDYWKVHIJVKKAQ-OIISXLGYSA-N 0 3 270.376 3.142 20 30 CGEDHN CCCC[C@H](CC)CN1CCC(C#N)(C(=O)OCC)CC1 ZINC001201567604 811907792 /nfs/dbraw/zinc/90/77/92/811907792.db2.gz FWPSTBPEMAOBRX-HNNXBMFYSA-N 0 3 294.439 3.372 20 30 CGEDHN CCCCCCCCCN1C[C@H](F)C[C@@H](CO)C1 ZINC001201838880 811969912 /nfs/dbraw/zinc/96/99/12/811969912.db2.gz GBXRDLQZDYNAAK-HUUCEWRRSA-N 0 3 259.409 3.389 20 30 CGEDHN CCCCCCCCCCN1CCN(C2COC2)CC1 ZINC001201852855 811972378 /nfs/dbraw/zinc/97/23/78/811972378.db2.gz OYPGBUIBUBMPTM-UHFFFAOYSA-N 0 3 282.472 3.144 20 30 CGEDHN C=C[C@@H](COC)NC/C=C/c1c(C)cc(C)cc1C ZINC001202093111 812014883 /nfs/dbraw/zinc/01/48/83/812014883.db2.gz QMPMIHIXGIMWLS-WAVCKPEOSA-N 0 3 259.393 3.416 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCCC)C12CCC2 ZINC001202459346 812097867 /nfs/dbraw/zinc/09/78/67/812097867.db2.gz OIXUVYAUPBUEHG-UONOGXRCSA-N 0 3 298.858 3.336 20 30 CGEDHN CNc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC001203666060 812422227 /nfs/dbraw/zinc/42/22/27/812422227.db2.gz XNGBOBLXAOYDSI-ZDUSSCGKSA-N 0 3 265.360 3.451 20 30 CGEDHN CCOc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001203968890 812504447 /nfs/dbraw/zinc/50/44/47/812504447.db2.gz PAEWLMINJLSNEM-AWEZNQCLSA-N 0 3 258.365 3.211 20 30 CGEDHN C=CC[N@H+](Cc1ccc(O)cc1[O-])C1CCCCC1 ZINC001204277870 812593465 /nfs/dbraw/zinc/59/34/65/812593465.db2.gz MZCCTIKZQKVDNF-UHFFFAOYSA-N 0 3 261.365 3.419 20 30 CGEDHN C=CC[N@@H+](Cc1ccc(O)cc1[O-])C1CCCCC1 ZINC001204277870 812593459 /nfs/dbraw/zinc/59/34/59/812593459.db2.gz MZCCTIKZQKVDNF-UHFFFAOYSA-N 0 3 261.365 3.419 20 30 CGEDHN Cc1cc(C)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001204520268 812665424 /nfs/dbraw/zinc/66/54/24/812665424.db2.gz XPAWZYKKDPUMNQ-HNNXBMFYSA-N 0 3 273.401 3.078 20 30 CGEDHN COC(C)(C)[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC001205493777 812991917 /nfs/dbraw/zinc/99/19/17/812991917.db2.gz PSFRLCWXRFFVRY-HNNXBMFYSA-N 0 3 276.355 3.087 20 30 CGEDHN CCCCCCCCCN1CCC(F)(F)[C@H](N)C1 ZINC001206649151 813387704 /nfs/dbraw/zinc/38/77/04/813387704.db2.gz ROEJDPPXYVBCKO-CYBMUJFWSA-N 0 3 262.388 3.405 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1C ZINC001207107987 813487702 /nfs/dbraw/zinc/48/77/02/813487702.db2.gz TVGLHBBQCKKFTL-NVXWUHKLSA-N 0 3 290.451 3.158 20 30 CGEDHN COc1ccccc1CCN1CCc2ccc(C#N)cc2C1 ZINC001207453371 813567253 /nfs/dbraw/zinc/56/72/53/813567253.db2.gz FTSSRRRVYKRDIK-UHFFFAOYSA-N 0 3 292.382 3.168 20 30 CGEDHN C=CCCCCCCCCCN1CCNC(=O)CC1 ZINC001207896638 813667477 /nfs/dbraw/zinc/66/74/77/813667477.db2.gz RLNOVLIBCLLQOP-UHFFFAOYSA-N 0 3 266.429 3.115 20 30 CGEDHN C=CCN(CCN(C)Cc1ccccc1C)C(=O)OCC ZINC001209021525 813916919 /nfs/dbraw/zinc/91/69/19/813916919.db2.gz ICBGJFJMJHLCFA-UHFFFAOYSA-N 0 3 290.407 3.071 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001209125598 813941357 /nfs/dbraw/zinc/94/13/57/813941357.db2.gz OLIIHNLUUNQJLW-HYVNUMGLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001209188411 813959217 /nfs/dbraw/zinc/95/92/17/813959217.db2.gz VSFJDJYZLWNBBI-RRFJBIMHSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCCCCCCCCN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001209443534 814042494 /nfs/dbraw/zinc/04/24/94/814042494.db2.gz UWIDSXIMESPCEE-OKZBNKHCSA-N 0 3 295.467 3.375 20 30 CGEDHN C=C1CCC(C(=O)N2CCC[C@H](NC[C@@H](F)CC)C2)CC1 ZINC001209465505 814050811 /nfs/dbraw/zinc/05/08/11/814050811.db2.gz RDTMFXKBHBDINW-HOTGVXAUSA-N 0 3 296.430 3.062 20 30 CGEDHN CC1(C)CC(=O)C=C(Nc2cnccc2N2CCCC2)C1 ZINC001210150673 814312819 /nfs/dbraw/zinc/31/28/19/814312819.db2.gz IZFOZHWOUIJDPO-UHFFFAOYSA-N 0 3 285.391 3.367 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001210245081 814363230 /nfs/dbraw/zinc/36/32/30/814363230.db2.gz XYAQEKVRJUNYAW-QLFBSQMISA-N 0 3 280.456 3.071 20 30 CGEDHN Cc1ccccc1[C@H](O[C@@H]1CNC[C@H]1C#N)c1ccccc1 ZINC001217830066 815971450 /nfs/dbraw/zinc/97/14/50/815971450.db2.gz COAAWERDZHNPPD-BHIYHBOVSA-N 0 3 292.382 3.213 20 30 CGEDHN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H]1COC(C)(C)N1 ZINC001217895402 815994807 /nfs/dbraw/zinc/99/48/07/815994807.db2.gz APHIFLFRIAOTIV-XGUBFFRZSA-N 0 3 267.413 3.108 20 30 CGEDHN [O-]c1ccccc1/N=C/c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001218283367 816151932 /nfs/dbraw/zinc/15/19/32/816151932.db2.gz HMTPSNUXKZIUPA-RVZJCZPVSA-N 0 3 296.370 3.274 20 30 CGEDHN N#Cc1cc(Cl)cc(O[C@@H]2CNCc3ccccc32)c1 ZINC001218484010 816237893 /nfs/dbraw/zinc/23/78/93/816237893.db2.gz DNFCOGNNBLVTES-MRXNPFEDSA-N 0 3 284.746 3.435 20 30 CGEDHN C=C[C@@H]1C[C@]1(N)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C ZINC001219038552 816263527 /nfs/dbraw/zinc/26/35/27/816263527.db2.gz YNHHVMZOVDPYEC-VNBZBWLYSA-N 0 3 284.403 3.313 20 30 CGEDHN CCc1cc(NC(=O)[C@@H](N)CC2CCC2)cc(CC)c1C#N ZINC001219114801 816265151 /nfs/dbraw/zinc/26/51/51/816265151.db2.gz OKYNRURGRJSLRF-KRWDZBQOSA-N 0 3 299.418 3.139 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCC)[C@@H]2C1 ZINC001221301591 816309522 /nfs/dbraw/zinc/30/95/22/816309522.db2.gz VGKJCVYACIAPFH-GVDBMIGSSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCN1CC[C@@H]2CN(C(=O)[C@@](C)(F)CCCC)[C@@H]2C1 ZINC001221661251 816323858 /nfs/dbraw/zinc/32/38/58/816323858.db2.gz QPQPLJKPRULZKL-INMHGKMJSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](CCC)C(C)C)C[C@@H]21 ZINC001223595691 816655443 /nfs/dbraw/zinc/65/54/43/816655443.db2.gz WRQGQXHQFUNKIM-ZACQAIPSSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224386739 816790906 /nfs/dbraw/zinc/79/09/06/816790906.db2.gz SJMFKJVETRVIMC-DOTOQJQBSA-N 0 3 298.446 3.165 20 30 CGEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)CCCCC)CC1 ZINC001224772502 816878136 /nfs/dbraw/zinc/87/81/36/816878136.db2.gz XITPXEVAOVLLLE-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN Cc1cc(C#N)cc(Cl)c1O[C@H]1CCN(C(C)C)C1 ZINC001226596187 817409154 /nfs/dbraw/zinc/40/91/54/817409154.db2.gz WJRRDURZJYOOGN-ZDUSSCGKSA-N 0 3 278.783 3.382 20 30 CGEDHN CCN1CCC[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227161886 817576766 /nfs/dbraw/zinc/57/67/66/817576766.db2.gz AVGQSBXJIHDSQS-GFCCVEGCSA-N 0 3 298.308 3.440 20 30 CGEDHN C(#Cc1ccccc1CN1CC=CC1)c1ccccc1 ZINC001231576981 818126192 /nfs/dbraw/zinc/12/61/92/818126192.db2.gz MDWZTXFUWXPKTM-UHFFFAOYSA-N 0 3 259.352 3.458 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C[C@@H]1C ZINC001231618583 818138452 /nfs/dbraw/zinc/13/84/52/818138452.db2.gz OHIUPFHJJZYBTQ-STQMWFEESA-N 0 3 258.365 3.187 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccnc3c(F)cccc23)C1 ZINC001232212331 818278988 /nfs/dbraw/zinc/27/89/88/818278988.db2.gz QTILJGSXJWIYQK-ZDUSSCGKSA-N 0 3 268.335 3.219 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(OC)ccc1OCC ZINC001232384733 818332054 /nfs/dbraw/zinc/33/20/54/818332054.db2.gz CMVFCFQROCCYCM-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN N#Cc1ccnc(CN2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001232481106 818363737 /nfs/dbraw/zinc/36/37/37/818363737.db2.gz UVZQVYGCQKJFDN-SFHVURJKSA-N 0 3 291.398 3.408 20 30 CGEDHN CC(C)N1CCN(Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC001232608548 818394496 /nfs/dbraw/zinc/39/44/96/818394496.db2.gz MPKLSQGALWFCBX-ZDUSSCGKSA-N 0 3 291.826 3.126 20 30 CGEDHN CC[C@H]1CCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101305 818521038 /nfs/dbraw/zinc/52/10/38/818521038.db2.gz VPMGMRBUGTWQHM-ZDUSSCGKSA-N 0 3 275.371 3.138 20 30 CGEDHN CC[C@@H]1CCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101304 818521872 /nfs/dbraw/zinc/52/18/72/818521872.db2.gz VPMGMRBUGTWQHM-CYBMUJFWSA-N 0 3 275.371 3.138 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cscc1C ZINC001233511783 818631493 /nfs/dbraw/zinc/63/14/93/818631493.db2.gz ORVNYUXCACFOII-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1ccccc1 ZINC001233947261 818737189 /nfs/dbraw/zinc/73/71/89/818737189.db2.gz JVNUJDPOIDEERD-SJLPKXTDSA-N 0 3 298.430 3.084 20 30 CGEDHN C=CC[C@H](C=C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234241606 818813946 /nfs/dbraw/zinc/81/39/46/818813946.db2.gz UJDTVXRRGRGYNO-ZDUSSCGKSA-N 0 3 279.355 3.405 20 30 CGEDHN C#C[C@H](CC(C)C)Oc1cccc2c1CCN(C)C2 ZINC001234424447 818852152 /nfs/dbraw/zinc/85/21/52/818852152.db2.gz PXPKHBBFHRSLRF-OAHLLOKOSA-N 0 3 257.377 3.101 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235190344 819029687 /nfs/dbraw/zinc/02/96/87/819029687.db2.gz BEPQINAQKNODLK-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN CN(Cc1cccc(O)c1)Cc1ccccc1CC#N ZINC001235511578 819112689 /nfs/dbraw/zinc/11/26/89/819112689.db2.gz IIYGJQYBGWATCC-UHFFFAOYSA-N 0 3 266.344 3.090 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@@H](F)[C@@H](N)C1 ZINC001235905711 819216120 /nfs/dbraw/zinc/21/61/20/819216120.db2.gz IFBIUQQEEYXHSO-PQAPVRDISA-N 0 3 256.409 3.274 20 30 CGEDHN C[NH+](C)Cc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001236426114 819472709 /nfs/dbraw/zinc/47/27/09/819472709.db2.gz SSCIBKYIDFHVMW-VCHYOVAHSA-N 0 3 272.323 3.362 20 30 CGEDHN CSCCN(C)Cc1ccc(C#N)c(Br)c1 ZINC001236867159 819626200 /nfs/dbraw/zinc/62/62/00/819626200.db2.gz ZGGAYACXELAYRV-UHFFFAOYSA-N 0 3 299.237 3.116 20 30 CGEDHN C[C@H]1CN(Cc2cn3cc(C#N)ccc3n2)CCC[C@@H]1C ZINC001237608291 819785851 /nfs/dbraw/zinc/78/58/51/819785851.db2.gz FVHSFOZCRNBYNB-KBPBESRZSA-N 0 3 282.391 3.074 20 30 CGEDHN C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CCC[C@@]1(C)O ZINC001237747435 819835451 /nfs/dbraw/zinc/83/54/51/819835451.db2.gz WLJKJMNRVXNNHH-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001238001087 819908324 /nfs/dbraw/zinc/90/83/24/819908324.db2.gz RLEHAHGIKHGNNM-NSHDSACASA-N 0 3 288.782 3.342 20 30 CGEDHN C#CC1CCN(Cc2cnc(OC(C)C)c(C)c2)CC1 ZINC001238377258 819982458 /nfs/dbraw/zinc/98/24/58/819982458.db2.gz FNHOULUTXVBDCO-UHFFFAOYSA-N 0 3 272.392 3.022 20 30 CGEDHN C#CC1CCN(Cc2ccc(F)c(OC(C)C)c2)CC1 ZINC001238458547 820008211 /nfs/dbraw/zinc/00/82/11/820008211.db2.gz PPYFSSUVFSEHNF-UHFFFAOYSA-N 0 3 275.367 3.458 20 30 CGEDHN CCc1cc(CN2CC[C@H]3CCCO[C@H]3C2)ccc1C#N ZINC001238760332 820109148 /nfs/dbraw/zinc/10/91/48/820109148.db2.gz HWHJQFNQDIZROR-AEFFLSMTSA-N 0 3 284.403 3.122 20 30 CGEDHN C(=NNCc1ccccc1)c1ccc(N2CCCC2)cc1 ZINC001330167624 935272532 /nfs/dbraw/zinc/27/25/32/935272532.db2.gz GRPDZBFLAGZFSM-UHFFFAOYSA-N 0 3 279.387 3.411 20 30 CGEDHN Cc1c([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)cnn1C ZINC001327179950 935040875 /nfs/dbraw/zinc/04/08/75/935040875.db2.gz CCERPEQHQPSCHJ-CYBMUJFWSA-N 0 3 294.402 3.135 20 30 CGEDHN Cc1cnc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)c1 ZINC001340557598 936407535 /nfs/dbraw/zinc/40/75/35/936407535.db2.gz DEFFFONAXCKNJY-GFCCVEGCSA-N 0 3 290.326 3.065 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N[C@H](C)c1ccccn1 ZINC001340789376 936414117 /nfs/dbraw/zinc/41/41/17/936414117.db2.gz FWCGSBJIXYKJDC-CABCVRRESA-N 0 3 291.439 3.337 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC001342279635 936464105 /nfs/dbraw/zinc/46/41/05/936464105.db2.gz VUCRWHKCJAZQAY-ZBFHGGJFSA-N 0 3 293.370 3.107 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC001342283825 936464206 /nfs/dbraw/zinc/46/42/06/936464206.db2.gz GNHYUXTVQCPWTQ-OCCSQVGLSA-N 0 3 292.448 3.341 20 30 CGEDHN CCc1ccc(C(=O)C(C#N)c2ccncn2)cc1CC ZINC001342579338 936470409 /nfs/dbraw/zinc/47/04/09/936470409.db2.gz DTHVBEIYXVEKSU-OAHLLOKOSA-N 0 3 279.343 3.091 20 30 CGEDHN N#CC(C(=O)C=Cc1ccccc1)c1cccc(F)n1 ZINC001343312960 936494330 /nfs/dbraw/zinc/49/43/30/936494330.db2.gz SJJDLGUTPLSORA-WTNCMQEWSA-N 0 3 266.275 3.110 20 30 CGEDHN N#CC(C(=O)[C@H]1CCC=CCCC1)c1ccccn1 ZINC001343578971 936506758 /nfs/dbraw/zinc/50/67/58/936506758.db2.gz XKCVDIUFBYEXSV-UONOGXRCSA-N 0 3 254.333 3.394 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(CCCCCF)C1 ZINC001479909815 936922656 /nfs/dbraw/zinc/92/26/56/936922656.db2.gz RLUVUGQFUVMFSN-NVXWUHKLSA-N 0 3 298.446 3.309 20 30 CGEDHN Cc1c([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)cnn1C ZINC001349823595 936964355 /nfs/dbraw/zinc/96/43/55/936964355.db2.gz NOZJMAMDHDRZAG-CYBMUJFWSA-N 0 3 296.418 3.381 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001481750399 927079042 /nfs/dbraw/zinc/07/90/42/927079042.db2.gz LUIZMLNFYSMRMG-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](CC)CC(C)C)C1 ZINC001481779571 927087984 /nfs/dbraw/zinc/08/79/84/927087984.db2.gz UJAJUCNWLKECSM-IAGOWNOFSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC=C(c2ccc(C)cc2)CC1 ZINC001355742395 937145866 /nfs/dbraw/zinc/14/58/66/937145866.db2.gz XKHGICCRMQAPMU-SFHVURJKSA-N 0 3 298.430 3.294 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1c(C)nn(C)c1C ZINC001356512892 927274312 /nfs/dbraw/zinc/27/43/12/927274312.db2.gz PVCKEQJUUKRDCS-CQSZACIVSA-N 0 3 294.443 3.053 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001482630548 927333206 /nfs/dbraw/zinc/33/32/06/927333206.db2.gz RXBGNKJAWTVZFO-UHFFFAOYSA-N 0 3 298.789 3.059 20 30 CGEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001483341294 927486163 /nfs/dbraw/zinc/48/61/63/927486163.db2.gz BSJDGAIPPSJHIT-CQSZACIVSA-N 0 3 292.398 3.119 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@](C)(CC)c1ccccc1 ZINC001357253830 937168715 /nfs/dbraw/zinc/16/87/15/937168715.db2.gz KOYUFPPDWLACIC-DOTOQJQBSA-N 0 3 274.408 3.112 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC001483690273 927576881 /nfs/dbraw/zinc/57/68/81/927576881.db2.gz XDELBCBDJLJBHQ-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001484317643 927691870 /nfs/dbraw/zinc/69/18/70/927691870.db2.gz HULVGYWBIOEREE-XPGCVZSKSA-N 0 3 296.842 3.064 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)/C=C(/C)CC)cc1 ZINC001484559271 927719817 /nfs/dbraw/zinc/71/98/17/927719817.db2.gz OYWZNABKLBZMAM-UGEDRFTOSA-N 0 3 298.430 3.333 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001484721248 927744091 /nfs/dbraw/zinc/74/40/91/927744091.db2.gz DUJBHKKKGRJPDE-APFBBLRHSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(C)cccc1C ZINC001485068909 927799462 /nfs/dbraw/zinc/79/94/62/927799462.db2.gz ILLQEMNGLDYVGY-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)C(CC)CC ZINC001485060403 927801267 /nfs/dbraw/zinc/80/12/67/927801267.db2.gz CISIRIWAQSUPLS-HOCLYGCPSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)C(CC)CC ZINC001485060401 927801594 /nfs/dbraw/zinc/80/15/94/927801594.db2.gz CISIRIWAQSUPLS-GOEBONIOSA-N 0 3 280.456 3.168 20 30 CGEDHN CO[C@@H]1C[C@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001559846441 937211184 /nfs/dbraw/zinc/21/11/84/937211184.db2.gz VLDKUAPVROEORH-LSDHHAIUSA-N 0 3 277.795 3.095 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001488662747 928294290 /nfs/dbraw/zinc/29/42/90/928294290.db2.gz LKVXAJWRJNMOMI-BRWVUGGUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)CC1CCCCC1 ZINC001493143206 928324315 /nfs/dbraw/zinc/32/43/15/928324315.db2.gz TUKSRSWXRMTILK-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1cc2sccc2s1 ZINC001492973441 937244738 /nfs/dbraw/zinc/24/47/38/937244738.db2.gz FRBOXDRVAYZPAO-UHFFFAOYSA-N 0 3 294.445 3.201 20 30 CGEDHN COc1ccc(CNCc2ccccc2C)cc1C#N ZINC000087823743 928686593 /nfs/dbraw/zinc/68/65/93/928686593.db2.gz NKUYBYZTLIIWHR-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN CC#CCN1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC001460086548 937514676 /nfs/dbraw/zinc/51/46/76/937514676.db2.gz VDRCDTDZPAFYIT-HOCLYGCPSA-N 0 3 257.377 3.492 20 30 CGEDHN COCC#CCNC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001460489707 937533246 /nfs/dbraw/zinc/53/32/46/937533246.db2.gz WFXYDJWFLXOQDZ-UHFFFAOYSA-N 0 3 297.320 3.324 20 30 CGEDHN N#Cc1cc(F)ccc1N1CCN(CC2CCCC2)CC1 ZINC001460641482 937537590 /nfs/dbraw/zinc/53/75/90/937537590.db2.gz XDSNLDBUQSITTD-UHFFFAOYSA-N 0 3 287.382 3.010 20 30 CGEDHN C=CCSCCNCc1ncccc1C(F)(F)F ZINC001461427977 937580120 /nfs/dbraw/zinc/58/01/20/937580120.db2.gz MYBMCPIAHCUIFR-UHFFFAOYSA-N 0 3 276.327 3.109 20 30 CGEDHN CN(C)Cc1ccccc1O[C@@H](C#N)c1ccccc1 ZINC001229700300 932470817 /nfs/dbraw/zinc/47/08/17/932470817.db2.gz XIVHPYZFOKGMSL-KRWDZBQOSA-N 0 3 266.344 3.392 20 30 CGEDHN N#Cc1ccc(F)cc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001230637102 932603283 /nfs/dbraw/zinc/60/32/83/932603283.db2.gz UAFTYPXZJMFTMT-KRWDZBQOSA-N 0 3 296.345 3.351 20 30 CGEDHN COc1cccc(C(F)(F)F)c1CN[C@H]1CC[C@H](C#N)C1 ZINC001254643434 932725054 /nfs/dbraw/zinc/72/50/54/932725054.db2.gz OEFKWPLCHFWUSZ-QWRGUYRKSA-N 0 3 298.308 3.496 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001316601120 932744426 /nfs/dbraw/zinc/74/44/26/932744426.db2.gz OKNKXXDSQIAKHS-ROJDOSBLSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001316608935 932748183 /nfs/dbraw/zinc/74/81/83/932748183.db2.gz IOSRARCGYHDLTG-SJLPKXTDSA-N 0 3 290.451 3.232 20 30 CGEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001491960773 932800154 /nfs/dbraw/zinc/80/01/54/932800154.db2.gz XDTHNVWJDUPSNK-MRXNPFEDSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CC[C@@H]1N(CC(=O)NCC(C)(C)C)CCCC1(C)C ZINC001307729374 932992272 /nfs/dbraw/zinc/99/22/72/932992272.db2.gz LVDILQJVLXFTSB-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C#CCN(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001307753809 932997370 /nfs/dbraw/zinc/99/73/70/932997370.db2.gz QCFGWOUORSWNKL-UHFFFAOYSA-N 0 3 292.426 3.254 20 30 CGEDHN C#Cc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1 ZINC001308410702 933107958 /nfs/dbraw/zinc/10/79/58/933107958.db2.gz UMKNRITXHCYQJN-UHFFFAOYSA-N 0 3 287.366 3.348 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cc2nc(Cl)ccc2s1 ZINC001308724119 933166096 /nfs/dbraw/zinc/16/60/96/933166096.db2.gz MLZBWTNRBJFHCF-VIFPVBQESA-N 0 3 264.781 3.403 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC001308854248 933190161 /nfs/dbraw/zinc/19/01/61/933190161.db2.gz CVATUJULDSQMHG-ZDUSSCGKSA-N 0 3 291.391 3.417 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCCC ZINC001317051808 933522032 /nfs/dbraw/zinc/52/20/32/933522032.db2.gz MZLXRAHPVACILC-IYBDPMFKSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CCN[C@H](CNC(=O)C(C)(C)C(=C)C)c1ccccc1 ZINC001317722168 933638550 /nfs/dbraw/zinc/63/85/50/933638550.db2.gz NOIJOZVXDHMSKN-MRXNPFEDSA-N 0 3 286.419 3.222 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C ZINC001318201372 933693931 /nfs/dbraw/zinc/69/39/31/933693931.db2.gz MKQFINJIKKQQKW-HOTGVXAUSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCC(C)C ZINC001318215822 933694278 /nfs/dbraw/zinc/69/42/78/933694278.db2.gz UCNPXGMBYKGHLV-HOTGVXAUSA-N 0 3 278.440 3.064 20 30 CGEDHN CCCCCCCNCc1c(Cl)nc(OC)n1C ZINC001318339102 933710423 /nfs/dbraw/zinc/71/04/23/933710423.db2.gz JKZSYZUXNWDQCC-UHFFFAOYSA-N 0 3 273.808 3.142 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001320043332 933985491 /nfs/dbraw/zinc/98/54/91/933985491.db2.gz STBKFBNVEQIMII-GOSISDBHSA-N 0 3 288.435 3.179 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001320085993 933995352 /nfs/dbraw/zinc/99/53/52/933995352.db2.gz VLQZSLCTXQEDRM-UHFFFAOYSA-N 0 3 282.472 3.415 20 30 CGEDHN C[NH+](C)[C@@H]1CCCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC001321695660 934204666 /nfs/dbraw/zinc/20/46/66/934204666.db2.gz TYELRMUAIUMLKL-SRDPGZLCSA-N 0 3 280.799 3.337 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)CCCc1sccc1C ZINC001322284951 934271795 /nfs/dbraw/zinc/27/17/95/934271795.db2.gz HTSLVRMJORBQNO-AWEZNQCLSA-N 0 3 294.464 3.002 20 30 CGEDHN C=C(CNC(=O)[C@H]1CCCCN1CCC)c1ccccc1 ZINC001324767436 934566072 /nfs/dbraw/zinc/56/60/72/934566072.db2.gz JIDLVDPYVXMULZ-QGZVFWFLSA-N 0 3 286.419 3.081 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001324960727 934876609 /nfs/dbraw/zinc/87/66/09/934876609.db2.gz JBFGMLVPDXOWSF-SJLPKXTDSA-N 0 3 294.483 3.463 20 30 CGEDHN C=C[C@@H](COC)N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC001325619433 934920526 /nfs/dbraw/zinc/92/05/26/934920526.db2.gz GDNMIRDJFMMPMO-WPRPVWTQSA-N 0 3 289.206 3.427 20 30 CGEDHN CCOc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC001326241187 934962191 /nfs/dbraw/zinc/96/21/91/934962191.db2.gz WGBOAYJGQVOAMR-DZGCQCFKSA-N 0 3 288.391 3.218 20 30 CGEDHN CC(C)(NCc1ccc2nonc2c1)c1cccc(C#N)c1 ZINC001473637312 937815353 /nfs/dbraw/zinc/81/53/53/937815353.db2.gz QQURHPNQSONEFB-UHFFFAOYSA-N 0 3 292.342 3.119 20 30 CGEDHN CC(C)(CC#N)CNC1CC(C#N)(c2ccccc2)C1 ZINC001326796830 935007892 /nfs/dbraw/zinc/00/78/92/935007892.db2.gz JXBNXZNTPQHHKB-UHFFFAOYSA-N 0 3 267.376 3.140 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001329577047 935229668 /nfs/dbraw/zinc/22/96/68/935229668.db2.gz WGVYKGFAGGRMRV-HNNXBMFYSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CC1)c1ccc(C)cc1 ZINC001332093495 935439379 /nfs/dbraw/zinc/43/93/79/935439379.db2.gz CRVGQHLXXWZPNF-OAHLLOKOSA-N 0 3 292.810 3.208 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C(C)C)[C@@H]1C ZINC001332186504 935447425 /nfs/dbraw/zinc/44/74/25/935447425.db2.gz UFNZWHLWDOPIJN-GJZGRUSLSA-N 0 3 280.456 3.214 20 30 CGEDHN N#CC[C@@H](O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC001332726069 935485021 /nfs/dbraw/zinc/48/50/21/935485021.db2.gz FFPKEHJRHYQXOB-IAGOWNOFSA-N 0 3 272.392 3.172 20 30 CGEDHN C[C@H](COc1ccccc1F)N[C@@H](C)c1cc(C#N)ccn1 ZINC001333150881 935514479 /nfs/dbraw/zinc/51/44/79/935514479.db2.gz UBQQGMRNVGHDCE-OLZOCXBDSA-N 0 3 299.349 3.210 20 30 CGEDHN C=CCO[C@@H]1CCN(CCc2nsc3ccccc23)C1 ZINC001333585649 935549298 /nfs/dbraw/zinc/54/92/98/935549298.db2.gz FBFZOALLTZDVSI-CYBMUJFWSA-N 0 3 288.416 3.116 20 30 CGEDHN N#Cc1ccc(F)c(CNCCc2ccc(F)cc2F)c1 ZINC001336768035 936215412 /nfs/dbraw/zinc/21/54/12/936215412.db2.gz REVBRTBXAOXDGK-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN CN(C)c1ccc(/C=C/C=NNC2CCSCC2)cc1 ZINC001336993384 936231624 /nfs/dbraw/zinc/23/16/24/936231624.db2.gz YRHLNYUEFOKIKQ-SUAIPXQRSA-N 0 3 289.448 3.237 20 30 CGEDHN C#CCC1(NCc2ccc(Cl)cc2OC)CCC1 ZINC001473820069 937823567 /nfs/dbraw/zinc/82/35/67/937823567.db2.gz WRQBURFYMMKWOD-UHFFFAOYSA-N 0 3 263.768 3.384 20 30 CGEDHN C#C[C@H]1CCCCN1CCCOc1ccccc1C ZINC001473868400 937825986 /nfs/dbraw/zinc/82/59/86/937825986.db2.gz QMRMLOLDFURWFT-INIZCTEOSA-N 0 3 257.377 3.252 20 30 CGEDHN C=C[C@H](C)NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC001474067463 937838860 /nfs/dbraw/zinc/83/88/60/937838860.db2.gz VHJYXMKKNKTBAY-NSHDSACASA-N 0 3 275.783 3.498 20 30 CGEDHN C=C(CC)CNCc1ccc(OC(F)F)cc1F ZINC001474178383 937842795 /nfs/dbraw/zinc/84/27/95/937842795.db2.gz GSXFOZYCPHGUHK-UHFFFAOYSA-N 0 3 259.271 3.483 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1cccc(C)c1Br ZINC001474247239 937846192 /nfs/dbraw/zinc/84/61/92/937846192.db2.gz WAVNROIIRVHJJS-CYBMUJFWSA-N 0 3 298.224 3.174 20 30 CGEDHN CC(C)(CCC#N)CNCc1ncccc1Br ZINC001474299283 937849254 /nfs/dbraw/zinc/84/92/54/937849254.db2.gz WMNGMYNPNKFZKR-UHFFFAOYSA-N 0 3 296.212 3.264 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cc(F)cc(OCC)c2)C1 ZINC001474646800 937872705 /nfs/dbraw/zinc/87/27/05/937872705.db2.gz IJAHMTIGIATEJC-CYBMUJFWSA-N 0 3 261.340 3.070 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(CC=C)CCCC1 ZINC001479276026 937918830 /nfs/dbraw/zinc/91/88/30/937918830.db2.gz STVGNSZQQUTVRN-INIZCTEOSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001497311764 937965539 /nfs/dbraw/zinc/96/55/39/937965539.db2.gz KQRIXFINZRZNJU-MRVWCRGKSA-N 0 3 286.847 3.050 20 30 CGEDHN CC#CCNC/C=C/CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001497763483 937966684 /nfs/dbraw/zinc/96/66/84/937966684.db2.gz GMMAUSCIUMCEIM-KXPUMZMLSA-N 0 3 298.430 3.099 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C1CC=CC1 ZINC001498953101 937971471 /nfs/dbraw/zinc/97/14/71/937971471.db2.gz REYVXWYPJKIKKS-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1CC/C=C/CC ZINC001499059051 937972140 /nfs/dbraw/zinc/97/21/40/937972140.db2.gz ZNESFKSWCPMGTF-IVAPMYIESA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001499063855 937972318 /nfs/dbraw/zinc/97/23/18/937972318.db2.gz RQSGZVKZZUHTHV-QGZVFWFLSA-N 0 3 284.403 3.100 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](C=C)c1ccccc1 ZINC001499123840 937972480 /nfs/dbraw/zinc/97/24/80/937972480.db2.gz CXWHRIFISHIRSD-SJLPKXTDSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCCC ZINC001499514757 937973799 /nfs/dbraw/zinc/97/37/99/937973799.db2.gz HMMSNIDFNIKJFF-CVEARBPZSA-N 0 3 278.440 3.208 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001506733617 937991820 /nfs/dbraw/zinc/99/18/20/937991820.db2.gz ZYNYRXIEWADSOC-LSDHHAIUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001506961711 937993198 /nfs/dbraw/zinc/99/31/98/937993198.db2.gz XWKCFAOXNXPVDN-TWGQIWQCSA-N 0 3 298.858 3.264 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCF)[C@H]2C)CCC1 ZINC001507386339 937995921 /nfs/dbraw/zinc/99/59/21/937995921.db2.gz UZOQQPRZBNJAGQ-LSDHHAIUSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C2(C)CCC(C)CC2)CC1 ZINC001508228662 937998833 /nfs/dbraw/zinc/99/88/33/937998833.db2.gz HOGNVIJTBZPNCI-UHFFFAOYSA-N 0 3 290.451 3.137 20 30 CGEDHN CCCCSCCC(=O)C(C#N)c1ncc(F)cc1F ZINC001518062719 938014079 /nfs/dbraw/zinc/01/40/79/938014079.db2.gz BIWOELIJYGONOZ-NSHDSACASA-N 0 3 298.358 3.459 20 30 CGEDHN N#CC(C(=O)C1CCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001520068347 938023045 /nfs/dbraw/zinc/02/30/45/938023045.db2.gz GHRKGNYWCILIER-SECBINFHSA-N 0 3 273.723 3.193 20 30 CGEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC001544742633 938146735 /nfs/dbraw/zinc/14/67/35/938146735.db2.gz ONEPXAAGCPVYHK-UHFFFAOYSA-N 0 3 288.435 3.179 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@](C)(CC)CCC ZINC001556466564 938203964 /nfs/dbraw/zinc/20/39/64/938203964.db2.gz DQZFTDPZKITNQA-INIZCTEOSA-N 0 3 268.445 3.169 20 30 CGEDHN C#CCOCCN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001559661654 938232032 /nfs/dbraw/zinc/23/20/32/938232032.db2.gz FKXLWVPGMBKSNZ-HXUWFJFHSA-N 0 3 291.394 3.436 20 30 CGEDHN C#CCCCCCCN1CCN(c2cccc(O)c2)CC1 ZINC001560721611 938272352 /nfs/dbraw/zinc/27/23/52/938272352.db2.gz AGHYEHGNPJZMTE-UHFFFAOYSA-N 0 3 286.419 3.098 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](NCC#Cc2ccccc2)C1(C)C ZINC001560737103 938273088 /nfs/dbraw/zinc/27/30/88/938273088.db2.gz SFLGZFUIWGVWML-IAGOWNOFSA-N 0 3 271.404 3.220 20 30 CGEDHN C#Cc1cccc(CNCc2cc(C)c(O)c(C)c2)c1 ZINC001560887300 938281963 /nfs/dbraw/zinc/28/19/63/938281963.db2.gz RDHZVHNVYCJQSO-UHFFFAOYSA-N 0 3 265.356 3.280 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC001568697905 960449109 /nfs/dbraw/zinc/44/91/09/960449109.db2.gz UMDXHOGWFOTAKZ-OLZOCXBDSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN(C)CCN(C(=O)C(F)=C1CCCC1)C(C)C ZINC001571610921 960467740 /nfs/dbraw/zinc/46/77/40/960467740.db2.gz GIQUMPUKVIBMGK-UHFFFAOYSA-N 0 3 282.403 3.139 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2(C)CCCC2)C1 ZINC001565904918 960861116 /nfs/dbraw/zinc/86/11/16/960861116.db2.gz WVKDNNSJMPWMIH-UONOGXRCSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](CC)CCCC)[C@H]1C ZINC001566098582 960880682 /nfs/dbraw/zinc/88/06/82/960880682.db2.gz REIKZPGYNPOQON-PMPSAXMXSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)CCCCC)[C@H]1C ZINC001566106004 960881731 /nfs/dbraw/zinc/88/17/31/960881731.db2.gz ZREJDPFXHSJVTL-OAGGEKHMSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CCC(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001567284646 961255801 /nfs/dbraw/zinc/25/58/01/961255801.db2.gz QMDALHAGEHVEJV-CQSZACIVSA-N 0 3 292.398 3.291 20 30 CGEDHN C#CCCCC(=O)NC[C@H](NCC=C(C)C)c1ccccc1 ZINC001567658118 961381195 /nfs/dbraw/zinc/38/11/95/961381195.db2.gz YHNFYAOIYGYCFD-SFHVURJKSA-N 0 3 298.430 3.203 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(CC=C(C)C)C1 ZINC001567775153 961425562 /nfs/dbraw/zinc/42/55/62/961425562.db2.gz QKAGGJUKFYRNKJ-KRWDZBQOSA-N 0 3 290.451 3.302 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCCCC ZINC001567863640 961445853 /nfs/dbraw/zinc/44/58/53/961445853.db2.gz ISKYMZGAEOOTMG-HOTGVXAUSA-N 0 3 278.440 3.208 20 30 CGEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001567922717 961462661 /nfs/dbraw/zinc/46/26/61/961462661.db2.gz XZHAGEQVMSOODZ-GJZGRUSLSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)CCC(C)C)CCCC1 ZINC001567993541 961487687 /nfs/dbraw/zinc/48/76/87/961487687.db2.gz UWCLBNOAAVJTNX-UHFFFAOYSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H](CNC[C@H](F)CC)CC(C)C)C1 ZINC001568335404 961551692 /nfs/dbraw/zinc/55/16/92/961551692.db2.gz GFZAYBKLPBZXEU-HUUCEWRRSA-N 0 3 298.446 3.211 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)C[C@H]1CCCCC1(C)C ZINC001568506429 961602244 /nfs/dbraw/zinc/60/22/44/961602244.db2.gz JFENTSZDELZUFH-OAHLLOKOSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc2ccccc21 ZINC001568504336 961602433 /nfs/dbraw/zinc/60/24/33/961602433.db2.gz ZPNCSVMQNKOQMO-UHFFFAOYSA-N 0 3 296.414 3.420 20 30 CGEDHN CC#CCNCCN(CC)C(=O)CCCCC(C)(C)C ZINC001568744935 961636585 /nfs/dbraw/zinc/63/65/85/961636585.db2.gz AMBJAIPDYFBLMI-UHFFFAOYSA-N 0 3 280.456 3.054 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001569369533 961756301 /nfs/dbraw/zinc/75/63/01/961756301.db2.gz HRNHEXICCOZBBJ-WMZOPIPTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)CC2(C)CCCC2)C1 ZINC001569712908 961832708 /nfs/dbraw/zinc/83/27/08/961832708.db2.gz FUFXCRGNYLIGRO-GOSISDBHSA-N 0 3 292.467 3.361 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@H](C)CC)C1 ZINC001569978193 961874036 /nfs/dbraw/zinc/87/40/36/961874036.db2.gz XTLKITBFMXBVMA-JSGCOSHPSA-N 0 3 286.847 3.003 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)C2CC2)cc1 ZINC001570030000 961882210 /nfs/dbraw/zinc/88/22/10/961882210.db2.gz LVVLLJMTTGLCJM-GJZGRUSLSA-N 0 3 298.430 3.023 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@H]1C=CCC1 ZINC001570025721 961883166 /nfs/dbraw/zinc/88/31/66/961883166.db2.gz MXEMXKKQZDHXTK-INIZCTEOSA-N 0 3 298.430 3.277 20 30 CGEDHN C=C/C(C)=C/CC(=O)N(C)CC(C)(C)CNCC(=C)Cl ZINC001570681520 962029276 /nfs/dbraw/zinc/02/92/76/962029276.db2.gz XWCIKFFQFPMNOQ-MDWZMJQESA-N 0 3 298.858 3.336 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C[C@@H]1CC=CCC1 ZINC001571296534 962126689 /nfs/dbraw/zinc/12/66/89/962126689.db2.gz APSNYWZLDHNPFN-LSDHHAIUSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001571565063 962185457 /nfs/dbraw/zinc/18/54/57/962185457.db2.gz QFIDEHRWZOTCFO-KGLIPLIRSA-N 0 3 298.446 3.163 20 30 CGEDHN C#CCN(C(=O)C[C@H]1NCc2ccccc21)C1CCCCC1 ZINC001574583775 962308388 /nfs/dbraw/zinc/30/83/88/962308388.db2.gz NHNITBNAYMHJPA-GOSISDBHSA-N 0 3 296.414 3.016 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc2ccccc21 ZINC001574857752 962325135 /nfs/dbraw/zinc/32/51/35/962325135.db2.gz ZCXDOSYGKOJWAG-CYBMUJFWSA-N 0 3 274.751 3.248 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1CSC ZINC001574908107 962334528 /nfs/dbraw/zinc/33/45/28/962334528.db2.gz DLWLYNVNQOXZRS-CYBMUJFWSA-N 0 3 278.421 3.172 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC001574902779 962335551 /nfs/dbraw/zinc/33/55/51/962335551.db2.gz GVLPBNJAOAAJDW-CVEARBPZSA-N 0 3 278.440 3.145 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCCc2ccc(C)cc21 ZINC001574908196 962335906 /nfs/dbraw/zinc/33/59/06/962335906.db2.gz HFKUIAXZMUKBOM-SJORKVTESA-N 0 3 286.419 3.172 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000167465139 334925884 /nfs/dbraw/zinc/92/58/84/334925884.db2.gz ROIPOGFQLFIDAE-LBPRGKRZSA-N 0 3 288.819 3.118 20 30 CGEDHN C=CCN(Cc1ccc(Cl)cc1)[C@@H](C)COC ZINC000621317428 349494511 /nfs/dbraw/zinc/49/45/11/349494511.db2.gz BUJOOGIQLLWBKK-LBPRGKRZSA-N 0 3 253.773 3.363 20 30 CGEDHN C=CCN(Cc1ccc(Cl)cc1)[C@H](C)COC ZINC000621317427 349494784 /nfs/dbraw/zinc/49/47/84/349494784.db2.gz BUJOOGIQLLWBKK-GFCCVEGCSA-N 0 3 253.773 3.363 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000589996704 346820998 /nfs/dbraw/zinc/82/09/98/346820998.db2.gz DEHHUKPWQMQPSC-CABCVRRESA-N 0 3 276.330 3.344 20 30 CGEDHN CN(CCOCCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000590153165 346832802 /nfs/dbraw/zinc/83/28/02/346832802.db2.gz JESLVCIZMBWUAN-UHFFFAOYSA-N 0 3 286.297 3.067 20 30 CGEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc[nH]c(=O)c1 ZINC000590259528 346838832 /nfs/dbraw/zinc/83/88/32/346838832.db2.gz CZXJCORWNFBNOR-YVEFUNNKSA-N 0 3 293.370 3.387 20 30 CGEDHN C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nnc(C(C)C)[n-]2)C1 ZINC000651745965 398280821 /nfs/dbraw/zinc/28/08/21/398280821.db2.gz BSMDSQRJXXOBGD-JHJVBQTASA-N 0 3 262.401 3.324 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2nnc(C(C)C)[nH]2)C1 ZINC000651745965 398280823 /nfs/dbraw/zinc/28/08/23/398280823.db2.gz BSMDSQRJXXOBGD-JHJVBQTASA-N 0 3 262.401 3.324 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2nnc(C)s2)C1 ZINC000651761828 398284570 /nfs/dbraw/zinc/28/45/70/398284570.db2.gz JRBKTCVEMXIECW-JLLWLGSASA-N 0 3 251.399 3.242 20 30 CGEDHN CC[C@H](C[C@H](C)CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000358577781 529423261 /nfs/dbraw/zinc/42/32/61/529423261.db2.gz VGPDTBGGDMWGLH-OUCADQQQSA-N 0 3 278.371 3.145 20 30 CGEDHN CC1(C)CN(CCC2(C#N)CCCCC2)CCCO1 ZINC000591014518 346894518 /nfs/dbraw/zinc/89/45/18/346894518.db2.gz DKZUUFLFMUWWLK-UHFFFAOYSA-N 0 3 264.413 3.351 20 30 CGEDHN Cc1cc(C#N)ccc1CN(Cc1cnn(C)c1)CC(C)C ZINC000590967956 346891944 /nfs/dbraw/zinc/89/19/44/346891944.db2.gz LGFDWPWSRADCAW-UHFFFAOYSA-N 0 3 296.418 3.258 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC2CCN(CC3CC3)CC2)c1 ZINC000273163750 192062137 /nfs/dbraw/zinc/06/21/37/192062137.db2.gz CHPQGBRBUZZIJR-UHFFFAOYSA-N 0 3 297.402 3.047 20 30 CGEDHN CO[C@@H](CN[C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000591845568 346941970 /nfs/dbraw/zinc/94/19/70/346941970.db2.gz MSPKCHHWLHVUKS-HOTGVXAUSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCCC[C@@H](C)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000623485113 349818111 /nfs/dbraw/zinc/81/81/11/349818111.db2.gz OSXSPENGENZUPG-CYBMUJFWSA-N 0 3 288.370 3.241 20 30 CGEDHN CCC[C@@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000592106390 346963300 /nfs/dbraw/zinc/96/33/00/346963300.db2.gz HSYDZOVNBJBQFJ-CJNGLKHVSA-N 0 3 257.381 3.402 20 30 CGEDHN N#Cc1cnccc1CN1CCCC12CCCCC2 ZINC000592084916 346961279 /nfs/dbraw/zinc/96/12/79/346961279.db2.gz MXNMAIMXNGGCRK-UHFFFAOYSA-N 0 3 255.365 3.252 20 30 CGEDHN CC(C)(C)CN(CCC#N)CCC[C@H]1CCOC1 ZINC000592073421 346961400 /nfs/dbraw/zinc/96/14/00/346961400.db2.gz YHGYBLUKFAXPTM-AWEZNQCLSA-N 0 3 252.402 3.065 20 30 CGEDHN N#CC[C@@]1(O)CCN(Cc2ccc(-c3ccsc3)cc2)C1 ZINC000592154890 346967749 /nfs/dbraw/zinc/96/77/49/346967749.db2.gz VLTSVHNXWPRGAB-QGZVFWFLSA-N 0 3 298.411 3.266 20 30 CGEDHN CC(C)(C#N)CCCN[C@@H](CCO)c1ccccc1F ZINC000592159122 346967909 /nfs/dbraw/zinc/96/79/09/346967909.db2.gz CIZXOTVHCUCXKL-HNNXBMFYSA-N 0 3 278.371 3.169 20 30 CGEDHN CC(C)C[C@@]1(C)CCCN1Cc1ccncc1C#N ZINC000592124338 346965039 /nfs/dbraw/zinc/96/50/39/346965039.db2.gz CNTHKWMTANVISP-MRXNPFEDSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(CO)c1 ZINC000592391437 346981637 /nfs/dbraw/zinc/98/16/37/346981637.db2.gz LMRRZWQOBJNHTO-CQSZACIVSA-N 0 3 280.371 3.096 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000005382753 344860803 /nfs/dbraw/zinc/86/08/03/344860803.db2.gz JASIHQMCHWWCGH-GOSISDBHSA-N 0 3 297.398 3.254 20 30 CGEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000030148957 344921498 /nfs/dbraw/zinc/92/14/98/344921498.db2.gz GRDXMAJLONFUON-NSHDSACASA-N 0 3 293.798 3.126 20 30 CGEDHN C=CCN(CCC(=O)N1CCCCC1)Cc1ccccc1 ZINC000046517026 345040657 /nfs/dbraw/zinc/04/06/57/345040657.db2.gz RLETYVAXEGHEOB-UHFFFAOYSA-N 0 3 286.419 3.077 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OCC)c(OC)c1 ZINC000053132355 345115416 /nfs/dbraw/zinc/11/54/16/345115416.db2.gz BPNAJOPMUJDJNB-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN Cc1ccccc1[C@@H](C)NCc1ccnc(C#N)c1 ZINC000068753913 345361417 /nfs/dbraw/zinc/36/14/17/345361417.db2.gz LTDUTDJLJDIMJH-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN CCOc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000079732179 345653308 /nfs/dbraw/zinc/65/33/08/345653308.db2.gz KURQTVFTKVFUIQ-MRVPVSSYSA-N 0 3 286.253 3.094 20 30 CGEDHN N#CCCCN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000081535623 345712050 /nfs/dbraw/zinc/71/20/50/345712050.db2.gz MFMGWHZQDWITLZ-QGZVFWFLSA-N 0 3 272.392 3.052 20 30 CGEDHN C=CCCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116722 345729700 /nfs/dbraw/zinc/72/97/00/345729700.db2.gz YTBTXQFNPXLVTF-OAHLLOKOSA-N 0 3 255.365 3.286 20 30 CGEDHN N#Cc1ccncc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000094131892 345895829 /nfs/dbraw/zinc/89/58/29/345895829.db2.gz RGDDZWPOKOFVAG-GOSISDBHSA-N 0 3 292.386 3.202 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000127523442 187312508 /nfs/dbraw/zinc/31/25/08/187312508.db2.gz QPHOUKQRNXMJKU-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@H](C)C#N)CC3 ZINC000133041554 346075072 /nfs/dbraw/zinc/07/50/72/346075072.db2.gz JWQAYHBWNWGZDC-CHWSQXEVSA-N 0 3 267.376 3.083 20 30 CGEDHN C=CC[C@@H](C)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000134747248 346084295 /nfs/dbraw/zinc/08/42/95/346084295.db2.gz KGDLOVYCBPIBHQ-VXGBXAGGSA-N 0 3 261.365 3.073 20 30 CGEDHN CCN1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1 ZINC000138950004 346098192 /nfs/dbraw/zinc/09/81/92/346098192.db2.gz IGTFAZMYCOUHQO-UHFFFAOYSA-N 0 3 251.333 3.149 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cccc(C#N)n2)C1 ZINC000339217870 215019946 /nfs/dbraw/zinc/01/99/46/215019946.db2.gz LNPPMNFMYPODAS-RHSMWYFYSA-N 0 3 292.386 3.201 20 30 CGEDHN C=CCCCNCc1c(C)nn(-c2ccccn2)c1Cl ZINC000285404331 346420913 /nfs/dbraw/zinc/42/09/13/346420913.db2.gz BBCRPIOIILHCMA-UHFFFAOYSA-N 0 3 290.798 3.285 20 30 CGEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337488787 346499294 /nfs/dbraw/zinc/49/92/94/346499294.db2.gz BWJKJLPJGCPBJJ-ZFWWWQNUSA-N 0 3 290.407 3.225 20 30 CGEDHN CC1(C)[C@@H]2CN(Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000380380773 346557042 /nfs/dbraw/zinc/55/70/42/346557042.db2.gz OPTXVWGRFWGOCV-BETUJISGSA-N 0 3 260.768 3.299 20 30 CGEDHN N#CCCCCNCc1ccsc1Br ZINC000388405358 346570464 /nfs/dbraw/zinc/57/04/64/346570464.db2.gz RXAKPFPNWAQMIM-UHFFFAOYSA-N 0 3 273.199 3.294 20 30 CGEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000404015609 346598950 /nfs/dbraw/zinc/59/89/50/346598950.db2.gz WKUKSOQALNSBOI-UONOGXRCSA-N 0 3 252.402 3.206 20 30 CGEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1CCCC#N ZINC000404440402 346599292 /nfs/dbraw/zinc/59/92/92/346599292.db2.gz UHFXKKCNWAFPOJ-GVDBMIGSSA-N 0 3 285.435 3.273 20 30 CGEDHN N#Cc1c(NCCN2CCCCC2)cccc1C(F)F ZINC000584665433 346706389 /nfs/dbraw/zinc/70/63/89/346706389.db2.gz MHRRECMRISLOER-UHFFFAOYSA-N 0 3 279.334 3.394 20 30 CGEDHN Cc1ccc(C#N)nc1NC[C@H](c1cccc(F)c1)N(C)C ZINC000589104073 346783187 /nfs/dbraw/zinc/78/31/87/346783187.db2.gz TVCRGFCGAYWFCJ-MRXNPFEDSA-N 0 3 298.365 3.116 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000589300236 346792749 /nfs/dbraw/zinc/79/27/49/346792749.db2.gz ILGUGSGZWLKPHN-ZWKOTPCHSA-N 0 3 296.414 3.400 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000593784966 347115826 /nfs/dbraw/zinc/11/58/26/347115826.db2.gz WZGUZSPGGBKYJF-MLGOLLRUSA-N 0 3 290.794 3.423 20 30 CGEDHN CC[C@@H](NCc1cccc(C#N)c1F)[C@H]1CCCCO1 ZINC000594040472 347142697 /nfs/dbraw/zinc/14/26/97/347142697.db2.gz GCDLVCOQCGRLGR-HUUCEWRRSA-N 0 3 276.355 3.135 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc2ccccc21 ZINC000594425049 347173869 /nfs/dbraw/zinc/17/38/69/347173869.db2.gz JKALNAVCXUHFIE-OAHLLOKOSA-N 0 3 281.359 3.190 20 30 CGEDHN CCc1ccc(CC)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594446713 347174622 /nfs/dbraw/zinc/17/46/22/347174622.db2.gz WQUKGMNMONUOIR-OAHLLOKOSA-N 0 3 287.407 3.161 20 30 CGEDHN CC(C)CC[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594445454 347174777 /nfs/dbraw/zinc/17/47/77/347174777.db2.gz GASFDWYGNUJMPA-CVEARBPZSA-N 0 3 293.455 3.215 20 30 CGEDHN CCCCC1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594431706 347174898 /nfs/dbraw/zinc/17/48/98/347174898.db2.gz PXDNAWNZJDAGOG-GPANFISMSA-N 0 3 293.455 3.263 20 30 CGEDHN Cc1ccncc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594507064 347181750 /nfs/dbraw/zinc/18/17/50/347181750.db2.gz KPSWCAWDWPISBS-UHFFFAOYSA-N 0 3 279.387 3.481 20 30 CGEDHN C[C@@H]1CC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)O1 ZINC000594508839 347182500 /nfs/dbraw/zinc/18/25/00/347182500.db2.gz WYPSCYYJKFYUTB-CJNGLKHVSA-N 0 3 272.392 3.145 20 30 CGEDHN Cc1cc(CN[C@H]2C[C@H](OC(C)(C)C)C2)ccc1C#N ZINC000594517183 347186333 /nfs/dbraw/zinc/18/63/33/347186333.db2.gz HMHINCILCOEDMY-WKILWMFISA-N 0 3 272.392 3.302 20 30 CGEDHN CO[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594927899 347231699 /nfs/dbraw/zinc/23/16/99/347231699.db2.gz BJCZOXDCLKBELB-INIZCTEOSA-N 0 3 272.392 3.002 20 30 CGEDHN N#CCCC[C@@H](NCc1cnn2c1CCC2)c1ccccc1 ZINC000594945433 347237829 /nfs/dbraw/zinc/23/78/29/347237829.db2.gz VGWSYXVMBVFSQB-QGZVFWFLSA-N 0 3 294.402 3.354 20 30 CGEDHN C=CCCSCCNCc1c[nH]c(-c2ccccc2)n1 ZINC000594960896 347242523 /nfs/dbraw/zinc/24/25/23/347242523.db2.gz ZVGOOQZBTMDYCB-UHFFFAOYSA-N 0 3 287.432 3.476 20 30 CGEDHN C=CCCSCCNCc1cnc(-c2ccccc2)[nH]1 ZINC000594960896 347242526 /nfs/dbraw/zinc/24/25/26/347242526.db2.gz ZVGOOQZBTMDYCB-UHFFFAOYSA-N 0 3 287.432 3.476 20 30 CGEDHN N#Cc1cccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000594972480 347246495 /nfs/dbraw/zinc/24/64/95/347246495.db2.gz GRZUNIQKONDQJU-SAABIXHNSA-N 0 3 278.355 3.258 20 30 CGEDHN CC(C)N(CCO[C@@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595297020 347288101 /nfs/dbraw/zinc/28/81/01/347288101.db2.gz OWPDKGIDDHUFHG-OAHLLOKOSA-N 0 3 294.345 3.193 20 30 CGEDHN COCCN(CCC=C(C)C)Cc1ccc(C#N)cc1 ZINC000595296318 347288556 /nfs/dbraw/zinc/28/85/56/347288556.db2.gz AFYUURXDZXRTPD-UHFFFAOYSA-N 0 3 272.392 3.363 20 30 CGEDHN N#CCC[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000595023911 347260293 /nfs/dbraw/zinc/26/02/93/347260293.db2.gz ZTMXIJHTBVGLRP-JKSUJKDBSA-N 0 3 270.376 3.333 20 30 CGEDHN C[C@H](CSCCF)NC1(c2cccc(C#N)c2)CC1 ZINC000595029693 347262773 /nfs/dbraw/zinc/26/27/73/347262773.db2.gz KIOJNRCEIDZXDQ-GFCCVEGCSA-N 0 3 278.396 3.228 20 30 CGEDHN C=CCCSCCN[C@@H]1CCCc2cccnc21 ZINC000595057719 347272365 /nfs/dbraw/zinc/27/23/65/347272365.db2.gz CXVTVESWIHZZIZ-CQSZACIVSA-N 0 3 262.422 3.358 20 30 CGEDHN Cc1nc([C@H](C)NCCc2ccc(C#N)cc2)cs1 ZINC000595058204 347273546 /nfs/dbraw/zinc/27/35/46/347273546.db2.gz ZHFWTMYZWQACTK-NSHDSACASA-N 0 3 271.389 3.217 20 30 CGEDHN N#CC[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000595622675 347329382 /nfs/dbraw/zinc/32/93/82/347329382.db2.gz CMCINGSEJWNDHM-OAHLLOKOSA-N 0 3 259.397 3.476 20 30 CGEDHN CCC(C)(C)[C@H](C)NCc1cccc(C(=O)OC)c1C#N ZINC000595641286 347331716 /nfs/dbraw/zinc/33/17/16/347331716.db2.gz HMVNOOAOWVFCGA-LBPRGKRZSA-N 0 3 288.391 3.259 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000595657763 347334308 /nfs/dbraw/zinc/33/43/08/347334308.db2.gz BWOITDQPUSNUSA-ZDUSSCGKSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000595658418 347334595 /nfs/dbraw/zinc/33/45/95/347334595.db2.gz IQLGQKLWNUNCRO-CYBMUJFWSA-N 0 3 277.364 3.244 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](C3CCCCC3)C2)nc1 ZINC000595739742 347348768 /nfs/dbraw/zinc/34/87/68/347348768.db2.gz QHZVQFFXSWCPES-MRXNPFEDSA-N 0 3 269.392 3.355 20 30 CGEDHN N#CCC[C@H](C#N)CN1CC[C@H](C2CCCCC2)C1 ZINC000595733873 347348844 /nfs/dbraw/zinc/34/88/44/347348844.db2.gz KGBWOYZLNSXHDF-ZBFHGGJFSA-N 0 3 259.397 3.332 20 30 CGEDHN N#Cc1ccc(CCN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000595466998 347307868 /nfs/dbraw/zinc/30/78/68/347307868.db2.gz VFDLCDMFEODDTC-CQSZACIVSA-N 0 3 282.309 3.375 20 30 CGEDHN N#Cc1ccc(CCN2CCC3(CC3(F)F)CC2)cc1 ZINC000595559643 347319079 /nfs/dbraw/zinc/31/90/79/347319079.db2.gz TUXHAXIATGXADW-UHFFFAOYSA-N 0 3 276.330 3.222 20 30 CGEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000595567196 347320512 /nfs/dbraw/zinc/32/05/12/347320512.db2.gz KHEXJCZTKQIVOE-HNNXBMFYSA-N 0 3 284.403 3.134 20 30 CGEDHN N#CCc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000595827712 347362019 /nfs/dbraw/zinc/36/20/19/347362019.db2.gz GBTALIQWJZPHLE-UHFFFAOYSA-N 0 3 281.359 3.120 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595913385 347372672 /nfs/dbraw/zinc/37/26/72/347372672.db2.gz SZWDRYSKMVXPOB-GFCCVEGCSA-N 0 3 294.420 3.075 20 30 CGEDHN Cn1nccc1-c1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000597178499 347545166 /nfs/dbraw/zinc/54/51/66/347545166.db2.gz YZEROACDBKTQOT-HNNXBMFYSA-N 0 3 294.402 3.213 20 30 CGEDHN CC[C@@H](Cc1ccc(Cl)cc1)NC[C@H](C)C#N ZINC000597082466 347535056 /nfs/dbraw/zinc/53/50/56/347535056.db2.gz KONLHFKTXKRWKN-RISCZKNCSA-N 0 3 250.773 3.410 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2nccc3ccccc32)C1 ZINC000597173241 347543586 /nfs/dbraw/zinc/54/35/86/347543586.db2.gz HEVFLPBLPKVDFS-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN COc1ccc2c(c1)CCN(CC(C)(C)CCC#N)C2 ZINC000597212047 347554977 /nfs/dbraw/zinc/55/49/77/347554977.db2.gz RGIVZKKWVHVUFV-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN C=CC(C)(C)CCNCc1csc([N+](=O)[O-])c1 ZINC000598985532 347703517 /nfs/dbraw/zinc/70/35/17/347703517.db2.gz RJLBWLYGCHKFCZ-UHFFFAOYSA-N 0 3 254.355 3.348 20 30 CGEDHN CC1(C)CCC[C@](CO)(NCc2ccc(C#N)s2)C1 ZINC000598994886 347704921 /nfs/dbraw/zinc/70/49/21/347704921.db2.gz JABNQPXGWICDFN-HNNXBMFYSA-N 0 3 278.421 3.041 20 30 CGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1Cl ZINC000598596313 347669179 /nfs/dbraw/zinc/66/91/79/347669179.db2.gz ZYTIJMPCVNIGAV-NEPJUHHUSA-N 0 3 280.799 3.291 20 30 CGEDHN CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598622213 347672106 /nfs/dbraw/zinc/67/21/06/347672106.db2.gz GHCVIGQECLPZAV-IUODEOHRSA-N 0 3 278.371 3.167 20 30 CGEDHN N#CCCCN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599669215 347763094 /nfs/dbraw/zinc/76/30/94/347763094.db2.gz XMKNTCKICKGYRS-ZDUSSCGKSA-N 0 3 287.190 3.310 20 30 CGEDHN CC(C)(C)OCCCN1CCc2c(CC#N)cccc2C1 ZINC000599677949 347764985 /nfs/dbraw/zinc/76/49/85/347764985.db2.gz FDVWFNWLZKTZJB-UHFFFAOYSA-N 0 3 286.419 3.316 20 30 CGEDHN C/C=C/C[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000599691180 347766614 /nfs/dbraw/zinc/76/66/14/347766614.db2.gz QXNLLTKTPLHESV-BAABZTOOSA-N 0 3 255.365 3.131 20 30 CGEDHN CSC[C@@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC000599319627 347735218 /nfs/dbraw/zinc/73/52/18/347735218.db2.gz OTZHUEQEIDFJBE-HNNXBMFYSA-N 0 3 260.406 3.194 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1C#N ZINC000599331082 347736191 /nfs/dbraw/zinc/73/61/91/347736191.db2.gz GHOPNCMFRGTQBH-QAPCUYQASA-N 0 3 294.402 3.146 20 30 CGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)cc1Cl ZINC000599355764 347739065 /nfs/dbraw/zinc/73/90/65/347739065.db2.gz GHGZBGGCUGYARZ-JQWIXIFHSA-N 0 3 296.773 3.184 20 30 CGEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cc2ccccc2o1 ZINC000599358135 347739468 /nfs/dbraw/zinc/73/94/68/347739468.db2.gz FAKNWRSTXUBRTM-GXTWGEPZSA-N 0 3 284.359 3.138 20 30 CGEDHN Cc1ccc(CN2CCSCC[C@@H]2C)cc1C#N ZINC000599383955 347741351 /nfs/dbraw/zinc/74/13/51/347741351.db2.gz CSAWZBDPBBOGEU-ZDUSSCGKSA-N 0 3 260.406 3.194 20 30 CGEDHN CO[C@H]1C[C@H](N(C)Cc2ccc(C)c(C#N)c2)C12CCC2 ZINC000599434850 347744347 /nfs/dbraw/zinc/74/43/47/347744347.db2.gz JWVUXHBPAJJQJK-IRXDYDNUSA-N 0 3 284.403 3.256 20 30 CGEDHN CC(C)[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000599465755 347746837 /nfs/dbraw/zinc/74/68/37/347746837.db2.gz QITLODDGUGZISW-BBRMVZONSA-N 0 3 290.382 3.167 20 30 CGEDHN C[C@H]1CN(CCOc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599512561 347749524 /nfs/dbraw/zinc/74/95/24/347749524.db2.gz KHYHIUDWMUUGCK-STQMWFEESA-N 0 3 294.345 3.160 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000599526137 347750599 /nfs/dbraw/zinc/75/05/99/347750599.db2.gz FUNBTMLEODVRFV-LBPRGKRZSA-N 0 3 276.336 3.001 20 30 CGEDHN CCC(F)(F)C(C)(C)CNC[C@H](C#N)CCC#N ZINC000600615131 347814739 /nfs/dbraw/zinc/81/47/39/347814739.db2.gz WNUBRMUUPWMPJG-NSHDSACASA-N 0 3 257.328 3.091 20 30 CGEDHN CCC(F)(F)C(C)(C)CNC[C@@H](C#N)CCC#N ZINC000600615129 347814853 /nfs/dbraw/zinc/81/48/53/347814853.db2.gz WNUBRMUUPWMPJG-LLVKDONJSA-N 0 3 257.328 3.091 20 30 CGEDHN COCCC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000600188743 347791694 /nfs/dbraw/zinc/79/16/94/347791694.db2.gz OGCBZTRLFJTQDO-UHFFFAOYSA-N 0 3 298.430 3.490 20 30 CGEDHN N#Cc1ccc(CNCC[C@@H]2CCc3ccccc3N2)o1 ZINC000600767651 347832713 /nfs/dbraw/zinc/83/27/13/347832713.db2.gz BZRHIHHTRGVGRY-AWEZNQCLSA-N 0 3 281.359 3.058 20 30 CGEDHN Cc1ccc(-c2ccc([C@H]3CNCCO3)cc2)c(C#N)c1 ZINC000600774588 347833338 /nfs/dbraw/zinc/83/33/38/347833338.db2.gz DSVBQOSCCPJABC-GOSISDBHSA-N 0 3 278.355 3.195 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000601263351 347886720 /nfs/dbraw/zinc/88/67/20/347886720.db2.gz JNVJVSLXFXMTOV-QGZVFWFLSA-N 0 3 263.344 3.120 20 30 CGEDHN COc1cccc2c1OCCC[C@H]2NCC(C)(C)CC#N ZINC000601280167 347888296 /nfs/dbraw/zinc/88/82/96/347888296.db2.gz DBLRSYQVCVRCCD-CQSZACIVSA-N 0 3 288.391 3.438 20 30 CGEDHN N#CCc1ccc(CN[C@H]2CCCc3ncccc32)cc1 ZINC000601283191 347888875 /nfs/dbraw/zinc/88/88/75/347888875.db2.gz RBNSRHMPAMIKFB-SFHVURJKSA-N 0 3 277.371 3.315 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000601305493 347890598 /nfs/dbraw/zinc/89/05/98/347890598.db2.gz WMRDKJAEPUFKRF-GMXVVIOVSA-N 0 3 285.347 3.266 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000601306247 347890652 /nfs/dbraw/zinc/89/06/52/347890652.db2.gz DQTUJXJGMVGFTO-GGZOMVNGSA-N 0 3 254.255 3.160 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000602010582 347932331 /nfs/dbraw/zinc/93/23/31/347932331.db2.gz GGSGRJBLJIDUAJ-SZVBFZGTSA-N 0 3 292.357 3.373 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCC12CC2 ZINC000601704348 347908485 /nfs/dbraw/zinc/90/84/85/347908485.db2.gz JPHZTUXXTSYDMO-JKSUJKDBSA-N 0 3 282.387 3.208 20 30 CGEDHN CCC(C)(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601744594 347910870 /nfs/dbraw/zinc/91/08/70/347910870.db2.gz LQORKCPRWAKQMG-INIZCTEOSA-N 0 3 297.402 3.183 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]2Cc2cccc(F)c2)n1 ZINC000602452180 347960173 /nfs/dbraw/zinc/96/01/73/347960173.db2.gz IMJVCAAWSGIBRR-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN C[C@H](CCC#N)CN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000602470996 347963783 /nfs/dbraw/zinc/96/37/83/347963783.db2.gz AUVDKJPNUVOLNZ-NVXWUHKLSA-N 0 3 299.418 3.054 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)n1)[C@@H](C)c1ccccc1 ZINC000602565078 347983457 /nfs/dbraw/zinc/98/34/57/347983457.db2.gz PEEXWTJHJCQCHD-ZIAGYGMSSA-N 0 3 265.360 3.235 20 30 CGEDHN CC(C)CC1(CNCc2cccc(C#N)n2)CCC1 ZINC000602570842 347985065 /nfs/dbraw/zinc/98/50/65/347985065.db2.gz WRGHHSPIWNAGGG-UHFFFAOYSA-N 0 3 257.381 3.259 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000602573140 347985994 /nfs/dbraw/zinc/98/59/94/347985994.db2.gz OTPZKJDALKOIAI-RYUDHWBXSA-N 0 3 297.324 3.412 20 30 CGEDHN C[C@@H](CCC#N)CNCc1cccc(OC(C)(C)C)n1 ZINC000602577279 347986349 /nfs/dbraw/zinc/98/63/49/347986349.db2.gz GKZFQHSWBBMZKG-ZDUSSCGKSA-N 0 3 275.396 3.288 20 30 CGEDHN C[C@@H](C1CC1)N(C(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000602582260 347988305 /nfs/dbraw/zinc/98/83/05/347988305.db2.gz QCWUUWQISOKNBP-WMLDXEAASA-N 0 3 299.418 3.229 20 30 CGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc2cc[nH]c21 ZINC000602624489 347995909 /nfs/dbraw/zinc/99/59/09/347995909.db2.gz BTUMDIKSAXQRJU-AWEZNQCLSA-N 0 3 297.402 3.356 20 30 CGEDHN C[C@@H](CCC#N)CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000602639072 347998528 /nfs/dbraw/zinc/99/85/28/347998528.db2.gz ZHCULPLYMCHFEA-UONOGXRCSA-N 0 3 291.370 3.004 20 30 CGEDHN CO[C@@H](CN[C@@H]1CCc2cc(C#N)ccc21)C1CCCC1 ZINC000602640214 347999161 /nfs/dbraw/zinc/99/91/61/347999161.db2.gz KYAOVKIVFJKWSI-MSOLQXFVSA-N 0 3 284.403 3.340 20 30 CGEDHN CO[C@H](CN[C@H]1CCc2cc(C#N)ccc21)CC(C)C ZINC000602640300 347999249 /nfs/dbraw/zinc/99/92/49/347999249.db2.gz MQSMDXNYZYZUJK-RDJZCZTQSA-N 0 3 272.392 3.196 20 30 CGEDHN N#Cc1cccc(CN[C@H]2C[C@H](c3ccccc3F)C2)n1 ZINC000602646670 348000494 /nfs/dbraw/zinc/00/04/94/348000494.db2.gz SCTQAHLCQGLGEB-NNUKFRKNSA-N 0 3 281.334 3.128 20 30 CGEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CS1 ZINC000602657265 348002762 /nfs/dbraw/zinc/00/27/62/348002762.db2.gz CWEIZSSGIHWVBN-SKDRFNHKSA-N 0 3 266.797 3.195 20 30 CGEDHN C[C@@H](CCC#N)CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000602691187 348009717 /nfs/dbraw/zinc/00/97/17/348009717.db2.gz DPBHHHSINHXBHF-APHBMKBZSA-N 0 3 292.810 3.388 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCC[C@H](C3CC3)C2)n1 ZINC000602693893 348010541 /nfs/dbraw/zinc/01/05/41/348010541.db2.gz WCQJMNUACSABBV-UONOGXRCSA-N 0 3 255.365 3.012 20 30 CGEDHN C[C@H]1CN(Cc2cccc(C#N)n2)CCc2ccccc21 ZINC000602711310 348015963 /nfs/dbraw/zinc/01/59/63/348015963.db2.gz JCNLIELTVYDIDV-AWEZNQCLSA-N 0 3 277.371 3.115 20 30 CGEDHN C[C@@H](CCC#N)CNCc1cccc2c1OC(F)(F)O2 ZINC000602723015 348017913 /nfs/dbraw/zinc/01/79/13/348017913.db2.gz PRJWICOTBULAFO-JTQLQIEISA-N 0 3 282.290 3.038 20 30 CGEDHN N#CCC1(CN2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000602771878 348026261 /nfs/dbraw/zinc/02/62/61/348026261.db2.gz HTTHHLCDUQJATE-CQSZACIVSA-N 0 3 258.340 3.309 20 30 CGEDHN N#CCC1(CN2CCC(CCCn3ccnc3)CC2)CC1 ZINC000602803957 348031185 /nfs/dbraw/zinc/03/11/85/348031185.db2.gz HKURHCCKKZTUFJ-UHFFFAOYSA-N 0 3 286.423 3.069 20 30 CGEDHN CC(C)(CO)[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602817540 348033436 /nfs/dbraw/zinc/03/34/36/348033436.db2.gz JHRYMECLGBJQFB-HNNXBMFYSA-N 0 3 272.392 3.030 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3cccnc3)C2)cc1F ZINC000602857646 348037684 /nfs/dbraw/zinc/03/76/84/348037684.db2.gz WYBXSYWXZPRRBL-KRWDZBQOSA-N 0 3 295.361 3.472 20 30 CGEDHN N#CCC1(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000602926735 348044880 /nfs/dbraw/zinc/04/48/80/348044880.db2.gz WRKYKQVTJIOXNG-AWEZNQCLSA-N 0 3 296.773 3.186 20 30 CGEDHN N#CCc1ccc(CN2CCC(CCF)CC2)cc1 ZINC000602948258 348047024 /nfs/dbraw/zinc/04/70/24/348047024.db2.gz PLGNSIGUANJOAI-UHFFFAOYSA-N 0 3 260.356 3.324 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000606816588 348201329 /nfs/dbraw/zinc/20/13/29/348201329.db2.gz CDBXEXMVBIVOLV-MRXNPFEDSA-N 0 3 280.456 3.456 20 30 CGEDHN CC#CCN(CC)CCOc1ccc(Br)cc1 ZINC000607751842 348261027 /nfs/dbraw/zinc/26/10/27/348261027.db2.gz LBNGAWLDHZSFLC-UHFFFAOYSA-N 0 3 296.208 3.173 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC(C2CCCC2)CC1 ZINC000608501978 348316447 /nfs/dbraw/zinc/31/64/47/348316447.db2.gz OUGVRXFEBWTJIL-UHFFFAOYSA-N 0 3 290.451 3.089 20 30 CGEDHN C[C@H](NCc1n[nH]c2ccccc21)c1ccc(C#N)cc1 ZINC000608982570 348334833 /nfs/dbraw/zinc/33/48/33/348334833.db2.gz ROYPVJXLMSSEQN-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN C[C@H](NCc1[nH]nc2ccccc21)c1ccc(C#N)cc1 ZINC000608982570 348334835 /nfs/dbraw/zinc/33/48/35/348334835.db2.gz ROYPVJXLMSSEQN-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000609921033 348358039 /nfs/dbraw/zinc/35/80/39/348358039.db2.gz GAIFNAYZDVTXNS-OLZOCXBDSA-N 0 3 288.391 3.027 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2ccco2)C1 ZINC000610957479 348411942 /nfs/dbraw/zinc/41/19/42/348411942.db2.gz NHCOEHFYBZTWPT-CQSZACIVSA-N 0 3 282.343 3.149 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000273353332 192123891 /nfs/dbraw/zinc/12/38/91/192123891.db2.gz BMJMUKUCIIUEEM-LBPRGKRZSA-N 0 3 275.323 3.112 20 30 CGEDHN CN(CCc1ccc(Cl)cc1)Cc1ccnc(C#N)c1 ZINC000610993247 348415558 /nfs/dbraw/zinc/41/55/58/348415558.db2.gz JUZVHGCTJDERFV-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccnc(C#N)c1 ZINC000610994685 348416011 /nfs/dbraw/zinc/41/60/11/348416011.db2.gz MXYRGNGNXLRMMC-KSSFIOAISA-N 0 3 277.371 3.331 20 30 CGEDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cc1ccnc(C#N)c1 ZINC000610993710 348416134 /nfs/dbraw/zinc/41/61/34/348416134.db2.gz DCYRHAIXATZSDE-MAUKXSAKSA-N 0 3 291.398 3.406 20 30 CGEDHN N#Cc1cc(CN2CCc3ccc(O)cc3CC2)ccc1F ZINC000610719372 348398732 /nfs/dbraw/zinc/39/87/32/348398732.db2.gz WTQRTZUWKRCNHI-UHFFFAOYSA-N 0 3 296.345 3.004 20 30 CGEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccc(F)cc1Cl ZINC000610812674 348404416 /nfs/dbraw/zinc/40/44/16/348404416.db2.gz HWBFLZFQNMCTAH-LLVKDONJSA-N 0 3 295.789 3.118 20 30 CGEDHN C=CCSCCN[C@H]1CCc2c1cc(F)cc2F ZINC000611335499 348439010 /nfs/dbraw/zinc/43/90/10/348439010.db2.gz QDQOYXFLYSTBLO-AWEZNQCLSA-N 0 3 269.360 3.461 20 30 CGEDHN CC(C)(C#N)CCN1CCCO[C@@H](c2ccccc2)C1 ZINC000611462615 348453748 /nfs/dbraw/zinc/45/37/48/348453748.db2.gz XPUVALVGVUFZDR-MRXNPFEDSA-N 0 3 272.392 3.390 20 30 CGEDHN CC[C@H](Cc1ccc(OC)c(OC)c1)NCC(C)(C)C#N ZINC000613145975 348568345 /nfs/dbraw/zinc/56/83/45/348568345.db2.gz YKKJMRXBTIVDFM-CQSZACIVSA-N 0 3 290.407 3.164 20 30 CGEDHN N#Cc1ccc(CNC2CCC3(CCCO3)CC2)c(F)c1 ZINC000615967055 348778541 /nfs/dbraw/zinc/77/85/41/348778541.db2.gz FSZKHDPCCKOAOO-UHFFFAOYSA-N 0 3 288.366 3.279 20 30 CGEDHN Cc1cc(CN2CCOCC3(CCCC3)C2)ccc1C#N ZINC000618609088 349121689 /nfs/dbraw/zinc/12/16/89/349121689.db2.gz LKHJYSMURYPKES-UHFFFAOYSA-N 0 3 284.403 3.259 20 30 CGEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccnc1 ZINC000618805756 349157001 /nfs/dbraw/zinc/15/70/01/349157001.db2.gz KJXZSZSJWAEMCR-SJCJKPOMSA-N 0 3 263.344 3.291 20 30 CGEDHN N#CCC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000619073724 349200899 /nfs/dbraw/zinc/20/08/99/349200899.db2.gz ORXVPQVCMUXBLY-UHFFFAOYSA-N 0 3 253.349 3.294 20 30 CGEDHN COc1cc(CNC(C)(C)CC(F)(F)F)ccc1C#N ZINC000619654717 349267223 /nfs/dbraw/zinc/26/72/23/349267223.db2.gz QRHZNDNKRXYJPO-UHFFFAOYSA-N 0 3 286.297 3.387 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccsc1 ZINC000619782818 349285276 /nfs/dbraw/zinc/28/52/76/349285276.db2.gz LAONMSFBISMRDY-GFCCVEGCSA-N 0 3 299.399 3.299 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc(Cl)ccc1Cl ZINC000273486944 192172173 /nfs/dbraw/zinc/17/21/73/192172173.db2.gz MNTBCLUTLOJLDQ-NSHDSACASA-N 0 3 260.164 3.020 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000625705665 350200674 /nfs/dbraw/zinc/20/06/74/350200674.db2.gz WZIPDBIHVWPGGO-HNAYVOBHSA-N 0 3 298.430 3.152 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000625704234 350200884 /nfs/dbraw/zinc/20/08/84/350200884.db2.gz WTYXUGSKISKDJB-INIZCTEOSA-N 0 3 281.403 3.329 20 30 CGEDHN C=CCN(CCC(=O)Nc1ccc(Cl)cc1F)C1CC1 ZINC000271332786 191079744 /nfs/dbraw/zinc/07/97/44/191079744.db2.gz ATNVTQWACLSMBS-UHFFFAOYSA-N 0 3 296.773 3.458 20 30 CGEDHN C=CC(C)(C)CCNC(=O)Nc1ccccc1CNC ZINC000625895654 350224170 /nfs/dbraw/zinc/22/41/70/350224170.db2.gz XEEQCGVAERZULQ-UHFFFAOYSA-N 0 3 275.396 3.130 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](CC)c1cccc(OC)c1OC ZINC000631634074 351098823 /nfs/dbraw/zinc/09/88/23/351098823.db2.gz UXFDJVLYVDANQF-HIFRSBDPSA-N 0 3 293.407 3.072 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000632517828 351203033 /nfs/dbraw/zinc/20/30/33/351203033.db2.gz SBWOJKJFGCCVNC-GDBMZVCRSA-N 0 3 286.419 3.150 20 30 CGEDHN N#Cc1cccc(CN2CCC(C3CCOCC3)CC2)c1 ZINC000336492041 213364603 /nfs/dbraw/zinc/36/46/03/213364603.db2.gz FOMPSUAQMDWTHH-UHFFFAOYSA-N 0 3 284.403 3.197 20 30 CGEDHN C[C@@H]1CC[C@H](C)N1Cc1cn2ccccc2c1C#N ZINC000123221602 187078582 /nfs/dbraw/zinc/07/85/82/187078582.db2.gz KJVIDNPFMPEFQJ-BETUJISGSA-N 0 3 253.349 3.184 20 30 CGEDHN C=CC[C@H](C)N[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271543443 191203769 /nfs/dbraw/zinc/20/37/69/191203769.db2.gz YXJBIMZTNKBMKV-KBPBESRZSA-N 0 3 284.407 3.499 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCOC3CCC3)CC2)cc1 ZINC000367875371 234257891 /nfs/dbraw/zinc/25/78/91/234257891.db2.gz TUZLSIXILWHRMV-UHFFFAOYSA-N 0 3 282.387 3.216 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)o1 ZINC000157378876 188313569 /nfs/dbraw/zinc/31/35/69/188313569.db2.gz JQNLUZZOTJGLGY-PBHICJAKSA-N 0 3 282.343 3.161 20 30 CGEDHN Cc1cnc(CCN(C)Cc2ccc(F)c(C#N)c2)s1 ZINC000157815786 188340083 /nfs/dbraw/zinc/34/00/83/188340083.db2.gz XREYLQYXTWVJJK-UHFFFAOYSA-N 0 3 289.379 3.137 20 30 CGEDHN C[C@H](N[C@H]1CCCSC1)c1ccc(C#N)cc1F ZINC000336376895 213230351 /nfs/dbraw/zinc/23/03/51/213230351.db2.gz BRSSQQXLIWQKLB-JQWIXIFHSA-N 0 3 264.369 3.244 20 30 CGEDHN C[C@H](COCC(F)(F)F)N[C@H](C)c1cccc(C#N)c1 ZINC000271844124 191362567 /nfs/dbraw/zinc/36/25/67/191362567.db2.gz HJUKTQRQXAQKRL-GHMZBOCLSA-N 0 3 286.297 3.176 20 30 CGEDHN C[C@H](NC[C@@](C)(O)c1cccs1)c1cccc(C#N)c1 ZINC000271852776 191367971 /nfs/dbraw/zinc/36/79/71/191367971.db2.gz IVANBXBJSPPFGA-BLLLJJGKSA-N 0 3 286.400 3.178 20 30 CGEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000360053665 283146885 /nfs/dbraw/zinc/14/68/85/283146885.db2.gz DOFCLOIFVSQBPJ-YOEHRIQHSA-N 0 3 298.411 3.487 20 30 CGEDHN COc1ccc(CN2C[C@H](C)CC[C@@H]2C)cc1C#N ZINC000088704605 138342682 /nfs/dbraw/zinc/34/26/82/138342682.db2.gz JFLRDSNAXDAVPU-OLZOCXBDSA-N 0 3 258.365 3.187 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000336275689 213114907 /nfs/dbraw/zinc/11/49/07/213114907.db2.gz AGNJJXSRNPJCPA-CABCVRRESA-N 0 3 292.329 3.044 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1OCCNCc1ccc(C#N)s1 ZINC000176951863 189016481 /nfs/dbraw/zinc/01/64/81/189016481.db2.gz GWNYDOXQQKGOBL-DOMZBBRYSA-N 0 3 278.421 3.305 20 30 CGEDHN C[C@@H](Cc1ccccc1F)NCc1ccc(C#N)s1 ZINC000176953779 189016626 /nfs/dbraw/zinc/01/66/26/189016626.db2.gz TYBGQYLTCYTUPO-NSHDSACASA-N 0 3 274.364 3.480 20 30 CGEDHN Cc1ccccc1O[C@@H](C)CNCc1ccc(C#N)s1 ZINC000176978149 189017809 /nfs/dbraw/zinc/01/78/09/189017809.db2.gz XPRFJYQDIPZLSE-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN CCN(CC)[C@H](CNc1cc(C)nc(C#N)c1)c1ccco1 ZINC000341924515 216153474 /nfs/dbraw/zinc/15/34/74/216153474.db2.gz FQYOWYXITXKWCA-MRXNPFEDSA-N 0 3 298.390 3.350 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC000341977718 216175435 /nfs/dbraw/zinc/17/54/35/216175435.db2.gz MUIPOAMXPFYWRU-MRXNPFEDSA-N 0 3 290.794 3.214 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2ccc(CC)o2)CC1 ZINC000177914331 189079086 /nfs/dbraw/zinc/07/90/86/189079086.db2.gz XUHLZNZXDGSMAT-ZDUSSCGKSA-N 0 3 262.397 3.143 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000179677339 189212640 /nfs/dbraw/zinc/21/26/40/189212640.db2.gz KGXCPEIDKWVGGL-GDBMZVCRSA-N 0 3 277.408 3.452 20 30 CGEDHN COc1cc(CN(CCC(C)(C)C#N)C2CC2)ccc1O ZINC000119618520 370692127 /nfs/dbraw/zinc/69/21/27/370692127.db2.gz ZHAFULKRTPPWQD-UHFFFAOYSA-N 0 3 288.391 3.305 20 30 CGEDHN Cc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)o1 ZINC000119581043 370689042 /nfs/dbraw/zinc/68/90/42/370689042.db2.gz YSPQHJALRQIYOB-ZDUSSCGKSA-N 0 3 270.332 3.189 20 30 CGEDHN C[C@@H]1CCCN(CCNc2ccc(Cl)cc2C#N)C1 ZINC000301519525 201043524 /nfs/dbraw/zinc/04/35/24/201043524.db2.gz KVGMNCHYLGIJCD-GFCCVEGCSA-N 0 3 277.799 3.355 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(CO)cc1 ZINC000182655508 189330193 /nfs/dbraw/zinc/33/01/93/189330193.db2.gz PGIBUDLYUQFQHH-UHFFFAOYSA-N 0 3 294.398 3.463 20 30 CGEDHN C[C@H]1CCCCN1CCNc1nc2c(cc1C#N)CCCC2 ZINC000301885637 201247325 /nfs/dbraw/zinc/24/73/25/201247325.db2.gz LZYFWOHIODQCLZ-AWEZNQCLSA-N 0 3 298.434 3.118 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000120233707 370751349 /nfs/dbraw/zinc/75/13/49/370751349.db2.gz XWUJSZHDYBPGMF-LSDHHAIUSA-N 0 3 295.448 3.183 20 30 CGEDHN C=C(C)C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000120257004 370753772 /nfs/dbraw/zinc/75/37/72/370753772.db2.gz FPRZBVVTBFPYMY-CQSZACIVSA-N 0 3 268.364 3.185 20 30 CGEDHN C=C(C)C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000120257004 370753775 /nfs/dbraw/zinc/75/37/75/370753775.db2.gz FPRZBVVTBFPYMY-CQSZACIVSA-N 0 3 268.364 3.185 20 30 CGEDHN CCCO[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000120469201 370770199 /nfs/dbraw/zinc/77/01/99/370770199.db2.gz LPJWQCOPYILAOU-MRXNPFEDSA-N 0 3 290.382 3.478 20 30 CGEDHN CC[C@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000120558666 370780453 /nfs/dbraw/zinc/78/04/53/370780453.db2.gz HQAHMFQFLGFHKV-HNNXBMFYSA-N 0 3 258.365 3.331 20 30 CGEDHN CC(C)[C@H]1N(Cc2cc(C#N)cs2)CC12CCOCC2 ZINC000335641723 212358125 /nfs/dbraw/zinc/35/81/25/212358125.db2.gz XQADJCXHCPTTQT-OAHLLOKOSA-N 0 3 290.432 3.257 20 30 CGEDHN CC(C)[C@@H](CO)[C@@H](NCc1cc(C#N)ccc1F)C(C)C ZINC000451591657 240331599 /nfs/dbraw/zinc/33/15/99/240331599.db2.gz BAINLVSNVBWWCV-WBVHZDCISA-N 0 3 292.398 3.076 20 30 CGEDHN CC(C)[C@@H](CO)[C@H](NCc1cccc(C#N)c1F)C(C)C ZINC000451600777 240333424 /nfs/dbraw/zinc/33/34/24/240333424.db2.gz SRNSVFPLAPOAHD-NVXWUHKLSA-N 0 3 292.398 3.076 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)CCc1ccccc1 ZINC000120654872 370788905 /nfs/dbraw/zinc/78/89/05/370788905.db2.gz JYMOZTDVYPMZPG-UHFFFAOYSA-N 0 3 280.371 3.241 20 30 CGEDHN C[C@H](CN(C)Cc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000459773592 242225030 /nfs/dbraw/zinc/22/50/30/242225030.db2.gz PCVBGNZULNMMKK-LLVKDONJSA-N 0 3 294.420 3.029 20 30 CGEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2Cl)C12CCC2 ZINC000459774459 242225778 /nfs/dbraw/zinc/22/57/78/242225778.db2.gz UDXDHSLDKQAZBZ-GJZGRUSLSA-N 0 3 290.794 3.259 20 30 CGEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777645 242227890 /nfs/dbraw/zinc/22/78/90/242227890.db2.gz LGDGRRKVZMMPID-WKPIXPDZSA-N 0 3 260.768 3.490 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2c(Cl)cccc2C#N)CCN1C ZINC000462885401 242372261 /nfs/dbraw/zinc/37/22/61/242372261.db2.gz UQRKAEZOZIDFEH-PWSUYJOCSA-N 0 3 263.772 3.106 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C)s2)n1 ZINC000121950071 370902333 /nfs/dbraw/zinc/90/23/33/370902333.db2.gz FLNGGXZVHMDXIO-SECBINFHSA-N 0 3 277.374 3.067 20 30 CGEDHN Cc1cnc([C@@H](C)NCCCC(C)(C)C#N)s1 ZINC000124353685 370923310 /nfs/dbraw/zinc/92/33/10/370923310.db2.gz APRCUIHYNDYTRC-LLVKDONJSA-N 0 3 251.399 3.432 20 30 CGEDHN COc1cccc([C@H](C)NCc2cccc(C#N)c2)c1 ZINC000037748658 369102911 /nfs/dbraw/zinc/10/29/11/369102911.db2.gz XEFVLGVQIUKUJA-ZDUSSCGKSA-N 0 3 266.344 3.418 20 30 CGEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000037199130 369075221 /nfs/dbraw/zinc/07/52/21/369075221.db2.gz RIHAZUAWDLVPRG-CYBMUJFWSA-N 0 3 266.344 3.418 20 30 CGEDHN CC[C@@H](C)N1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000055079973 369510626 /nfs/dbraw/zinc/51/06/26/369510626.db2.gz IVYHUXRAEJRDBJ-GFCCVEGCSA-N 0 3 277.799 3.132 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000062016418 369613856 /nfs/dbraw/zinc/61/38/56/369613856.db2.gz JRCSIEQVBLLAOP-ZJUUUORDSA-N 0 3 250.729 3.019 20 30 CGEDHN C=CCC[C@H](NC[C@@H](C)C[C@H](C)O)c1ccco1 ZINC000276511558 193362701 /nfs/dbraw/zinc/36/27/01/193362701.db2.gz ZLHAHCKPTGWNMS-IHRRRGAJSA-N 0 3 251.370 3.284 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)CC(C)C)CC1 ZINC000084599915 370014134 /nfs/dbraw/zinc/01/41/34/370014134.db2.gz AKXWJLIIXNTEFN-UHFFFAOYSA-N 0 3 280.456 3.215 20 30 CGEDHN COc1ccccc1C[C@@H](C)N(C)Cc1ccc(C#N)o1 ZINC000093102324 370109475 /nfs/dbraw/zinc/10/94/75/370109475.db2.gz LVNLKQNIOHYMPJ-CYBMUJFWSA-N 0 3 284.359 3.223 20 30 CGEDHN C=CCCCN(C)Cc1cnc(N(CC)CC)s1 ZINC000093533522 370139353 /nfs/dbraw/zinc/13/93/53/370139353.db2.gz GGFKLHSAUOBOKV-UHFFFAOYSA-N 0 3 267.442 3.387 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC(C)(C)CC1 ZINC000130457513 371035333 /nfs/dbraw/zinc/03/53/33/371035333.db2.gz CBDRHVGSJGEMDF-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN Cc1ccc2[nH]c([C@@H]3CCCN(CCCC#N)C3)nc2c1 ZINC000130788376 371058880 /nfs/dbraw/zinc/05/88/80/371058880.db2.gz SEHWYRJPDKCRRP-CQSZACIVSA-N 0 3 282.391 3.355 20 30 CGEDHN Cc1ccc2nc([C@@H]3CCCN(CCCC#N)C3)[nH]c2c1 ZINC000130788376 371058886 /nfs/dbraw/zinc/05/88/86/371058886.db2.gz SEHWYRJPDKCRRP-CQSZACIVSA-N 0 3 282.391 3.355 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000131466314 371109380 /nfs/dbraw/zinc/10/93/80/371109380.db2.gz NRPBBBFCCHDOPW-AWEZNQCLSA-N 0 3 286.375 3.492 20 30 CGEDHN C=CCCN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000133123721 371228735 /nfs/dbraw/zinc/22/87/35/371228735.db2.gz JWSIOUGIIZIWQZ-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN CC[C@H](CC#N)N[C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000133198965 371235828 /nfs/dbraw/zinc/23/58/28/371235828.db2.gz ZIGNTTLUKBZUFQ-HUUCEWRRSA-N 0 3 290.407 3.307 20 30 CGEDHN CC[C@H](C)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000337323433 214006462 /nfs/dbraw/zinc/00/64/62/214006462.db2.gz SHEKRVYGJZXFKT-LSDHHAIUSA-N 0 3 271.408 3.035 20 30 CGEDHN Cc1nc(CCN[C@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000344079171 217043350 /nfs/dbraw/zinc/04/33/50/217043350.db2.gz SZFFHDPOXALSLW-LLVKDONJSA-N 0 3 269.348 3.056 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)CC1CCOCC1 ZINC000155771222 371944091 /nfs/dbraw/zinc/94/40/91/371944091.db2.gz VLJPRAURSVZTBV-UHFFFAOYSA-N 0 3 277.795 3.050 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C2CC2)C1 ZINC000344095169 217047640 /nfs/dbraw/zinc/04/76/40/217047640.db2.gz LMYOCNNKMCNMLJ-HNNXBMFYSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000290351775 371969633 /nfs/dbraw/zinc/96/96/33/371969633.db2.gz QERQFNILXIJNIW-ZJNRKIDTSA-N 0 3 298.361 3.470 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000159011780 372098563 /nfs/dbraw/zinc/09/85/63/372098563.db2.gz AVFWTTFXEXJTDW-AWEZNQCLSA-N 0 3 291.391 3.025 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000291047568 372104899 /nfs/dbraw/zinc/10/48/99/372104899.db2.gz ZQUPSFINIAGFFI-QGZVFWFLSA-N 0 3 297.402 3.203 20 30 CGEDHN C=CCN(C/C=C/c1ccncc1)CCc1ccco1 ZINC000426163359 372150039 /nfs/dbraw/zinc/15/00/39/372150039.db2.gz VRJUHUFQUVITMN-HWKANZROSA-N 0 3 268.360 3.419 20 30 CGEDHN N#CCCCN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427883476 372176951 /nfs/dbraw/zinc/17/69/51/372176951.db2.gz FCBRJEBRYPKIBR-GFCCVEGCSA-N 0 3 283.297 3.371 20 30 CGEDHN C=CCOc1ccc(CNC2CC(F)(F)C2)cc1OC ZINC000428645844 372242794 /nfs/dbraw/zinc/24/27/94/372242794.db2.gz OFYDJGZSPRIJNW-UHFFFAOYSA-N 0 3 283.318 3.147 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000292344845 372189278 /nfs/dbraw/zinc/18/92/78/372189278.db2.gz YHWWTWVLUWMXFC-HNNXBMFYSA-N 0 3 274.408 3.008 20 30 CGEDHN C=CCC(C)(C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000292937492 372254408 /nfs/dbraw/zinc/25/44/08/372254408.db2.gz JPFXOLFSGJJJJE-UHFFFAOYSA-N 0 3 294.351 3.001 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1cccc(OC)c1 ZINC000429709269 372377440 /nfs/dbraw/zinc/37/74/40/372377440.db2.gz PHWRDEQSTVSVCV-OAHLLOKOSA-N 0 3 276.424 3.196 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000429702199 372377567 /nfs/dbraw/zinc/37/75/67/372377567.db2.gz MZRMITYMBSBGDX-AWEZNQCLSA-N 0 3 264.388 3.326 20 30 CGEDHN Cc1cc(CNCC2(CC#N)CC2)cc2cccnc12 ZINC000430066606 372383033 /nfs/dbraw/zinc/38/30/33/372383033.db2.gz NJIGHNUPCMRAGU-UHFFFAOYSA-N 0 3 265.360 3.327 20 30 CGEDHN CC(C)(C)OC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000162342914 372388886 /nfs/dbraw/zinc/38/88/86/372388886.db2.gz SWUUZHWXAYHPOV-UHFFFAOYSA-N 0 3 272.392 3.338 20 30 CGEDHN N#CCC1(CN[C@H](c2cccnc2)C2CCC2)CC1 ZINC000430725028 372392520 /nfs/dbraw/zinc/39/25/20/372392520.db2.gz PPGBNEZQGZRLDW-HNNXBMFYSA-N 0 3 255.365 3.206 20 30 CGEDHN C[C@H](c1ccc(Cl)cc1)N(C)CCOCCC#N ZINC000293627625 372429135 /nfs/dbraw/zinc/42/91/35/372429135.db2.gz WOZBDJRWKRIKRU-GFCCVEGCSA-N 0 3 266.772 3.263 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(Br)cc1 ZINC000052921236 541876070 /nfs/dbraw/zinc/87/60/70/541876070.db2.gz RZFXSSJEZCJKLU-UHFFFAOYSA-N 0 3 254.171 3.457 20 30 CGEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433117202 372581851 /nfs/dbraw/zinc/58/18/51/372581851.db2.gz NAEJSLLEZGFCIX-SFHVURJKSA-N 0 3 292.382 3.384 20 30 CGEDHN C=CCC[C@H](O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433307509 372588433 /nfs/dbraw/zinc/58/84/33/372588433.db2.gz VPSSLFGXABPSTN-HOCLYGCPSA-N 0 3 279.811 3.456 20 30 CGEDHN CC[C@@H](C)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000171348016 372741940 /nfs/dbraw/zinc/74/19/40/372741940.db2.gz NXVVGOHQOJBFCI-CQSZACIVSA-N 0 3 294.402 3.027 20 30 CGEDHN C=CCN(CC[C@H]1CCOC1)Cc1ccc(OC)cc1 ZINC000437594824 372853455 /nfs/dbraw/zinc/85/34/55/372853455.db2.gz RDTZFGKKHXMXHD-INIZCTEOSA-N 0 3 275.392 3.110 20 30 CGEDHN CCSCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000172765547 373029358 /nfs/dbraw/zinc/02/93/58/373029358.db2.gz YACUPPKDLSYTAD-UHFFFAOYSA-N 0 3 260.406 3.276 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCOc2cccc(Cl)c2)C1 ZINC000442789594 373082972 /nfs/dbraw/zinc/08/29/72/373082972.db2.gz YIEGGLPEHAGQPF-YPMHNXCESA-N 0 3 264.756 3.001 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000442903200 373125007 /nfs/dbraw/zinc/12/50/07/373125007.db2.gz XXTRCWZWGMTORW-XOKHGSTOSA-N 0 3 286.419 3.348 20 30 CGEDHN C=CC[C@@H]1N(C(=O)CN2[C@H](C)CC[C@H]2C)CCCC1(C)C ZINC000444641488 373218810 /nfs/dbraw/zinc/21/88/10/373218810.db2.gz VDMUWVJEBCTJAP-OAGGEKHMSA-N 0 3 292.467 3.453 20 30 CGEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)[C@H](C)[C@@H](C)O1 ZINC000444677262 373231745 /nfs/dbraw/zinc/23/17/45/373231745.db2.gz SLUWXKVBCUFJHP-MGPQQGTHSA-N 0 3 252.402 3.204 20 30 CGEDHN Cc1cc(CN(C)CCCSCC#N)ccc1F ZINC000444746468 373258274 /nfs/dbraw/zinc/25/82/74/373258274.db2.gz XVXSYFDGNUIKAB-UHFFFAOYSA-N 0 3 266.385 3.213 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncnc(Cl)c2CC)CC1 ZINC000297163114 373258948 /nfs/dbraw/zinc/25/89/48/373258948.db2.gz OZMBNBVAMKXYQM-UHFFFAOYSA-N 0 3 294.830 3.145 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCO[C@H]2c2ccccc2)o1 ZINC000174305335 373288622 /nfs/dbraw/zinc/28/86/22/373288622.db2.gz FNAHVGVNNUGRQY-QAPCUYQASA-N 0 3 296.370 3.409 20 30 CGEDHN Cc1ccccc1C1(CNCc2ccc(C#N)o2)CC1 ZINC000174336782 373294637 /nfs/dbraw/zinc/29/46/37/373294637.db2.gz VQXJEXWDDSHMNY-UHFFFAOYSA-N 0 3 266.344 3.281 20 30 CGEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccncc1 ZINC000174437634 373317610 /nfs/dbraw/zinc/31/76/10/373317610.db2.gz ZPMROPYKSHVAFJ-MRXNPFEDSA-N 0 3 251.333 3.194 20 30 CGEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3)CC2)o1 ZINC000174276340 373282392 /nfs/dbraw/zinc/28/23/92/373282392.db2.gz HBOCUWFRCSVUBW-UHFFFAOYSA-N 0 3 270.307 3.112 20 30 CGEDHN Cc1cccc(O[C@H](C)CNCc2ccc(C#N)o2)c1 ZINC000174571579 373339052 /nfs/dbraw/zinc/33/90/52/373339052.db2.gz MUAOHNMUWWWZBH-CYBMUJFWSA-N 0 3 270.332 3.017 20 30 CGEDHN COc1cccc(O[C@@H](C)CNCc2ccc(C#N)cc2)c1 ZINC000174587424 373341109 /nfs/dbraw/zinc/34/11/09/373341109.db2.gz SIHPPPCJAKFKTD-AWEZNQCLSA-N 0 3 296.370 3.124 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)o1)Oc1cccc(Cl)c1 ZINC000174587857 373341235 /nfs/dbraw/zinc/34/12/35/373341235.db2.gz PVGSTWNSFSGZNI-LLVKDONJSA-N 0 3 290.750 3.362 20 30 CGEDHN N#Cc1ccc(CNCCC[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000344960749 217369693 /nfs/dbraw/zinc/36/96/93/217369693.db2.gz DZIDYMLIJQPZML-YOEHRIQHSA-N 0 3 290.382 3.118 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000298777631 373407146 /nfs/dbraw/zinc/40/71/46/373407146.db2.gz RZRWEWXKIDNLEX-QGZVFWFLSA-N 0 3 281.359 3.102 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000448608561 373623438 /nfs/dbraw/zinc/62/34/38/373623438.db2.gz WPKLRENIXGDWOO-CYBMUJFWSA-N 0 3 292.448 3.213 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C(F)(F)F)ccc1F ZINC000449521938 373820147 /nfs/dbraw/zinc/82/01/47/373820147.db2.gz UBDNNAQGDZRKMP-OLZOCXBDSA-N 0 3 289.272 3.278 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000449523808 373822608 /nfs/dbraw/zinc/82/26/08/373822608.db2.gz YOZVUBVUMMHXAJ-KGLIPLIRSA-N 0 3 296.292 3.010 20 30 CGEDHN N#Cc1cccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449530500 373828970 /nfs/dbraw/zinc/82/89/70/373828970.db2.gz ADWIIWHQYPUQIL-SJORKVTESA-N 0 3 252.361 3.179 20 30 CGEDHN C=C(CC)CNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000449732976 373857997 /nfs/dbraw/zinc/85/79/97/373857997.db2.gz NDWHLHJTHYRGJP-UHFFFAOYSA-N 0 3 259.328 3.272 20 30 CGEDHN C=C(CC)CNCc1ccc(OC)cc1OC(F)F ZINC000449737123 373864619 /nfs/dbraw/zinc/86/46/19/373864619.db2.gz XWZZMUIQUNOPDE-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN C=CCC[C@@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000179990937 373950881 /nfs/dbraw/zinc/95/08/81/373950881.db2.gz DHXBNRADSJVRLE-CYBMUJFWSA-N 0 3 281.346 3.261 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CCCCC1 ZINC000449869266 373951729 /nfs/dbraw/zinc/95/17/29/373951729.db2.gz NCDCZHKDFGOXDP-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CC2)cc1 ZINC000179925254 373939958 /nfs/dbraw/zinc/93/99/58/373939958.db2.gz MLZMGMFMJHIXTI-UHFFFAOYSA-N 0 3 278.355 3.428 20 30 CGEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C2CC2)cc1 ZINC000179925254 373939964 /nfs/dbraw/zinc/93/99/64/373939964.db2.gz MLZMGMFMJHIXTI-UHFFFAOYSA-N 0 3 278.355 3.428 20 30 CGEDHN Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000181779930 374170857 /nfs/dbraw/zinc/17/08/57/374170857.db2.gz SQPYYIBMBAVTOV-NEPJUHHUSA-N 0 3 283.375 3.445 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000450693616 374172115 /nfs/dbraw/zinc/17/21/15/374172115.db2.gz BXGFOWYSJMKTDZ-UHFFFAOYSA-N 0 3 267.756 3.135 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1csc(Cl)c1 ZINC000309569554 374188739 /nfs/dbraw/zinc/18/87/39/374188739.db2.gz NGKBSXMURLDMBD-VHSXEESVSA-N 0 3 259.802 3.237 20 30 CGEDHN CC[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000182314478 374256713 /nfs/dbraw/zinc/25/67/13/374256713.db2.gz ONDPZGVQHIRQIX-HZPDHXFCSA-N 0 3 277.795 3.239 20 30 CGEDHN CC[C@@H](NCCOc1cccc(C#N)c1)c1c(C)noc1C ZINC000182392946 374267145 /nfs/dbraw/zinc/26/71/45/374267145.db2.gz UFPVUZMWMHXQBW-MRXNPFEDSA-N 0 3 299.374 3.283 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCOCC2)c([O-])c1 ZINC000182698987 374317064 /nfs/dbraw/zinc/31/70/64/374317064.db2.gz ZLOUFGYJTXOTBB-COYFKBPASA-N 0 3 290.407 3.226 20 30 CGEDHN Cc1c([C@H](C)NC2CC(C#N)(c3ccccc3)C2)cnn1C ZINC000315403692 374328157 /nfs/dbraw/zinc/32/81/57/374328157.db2.gz OHWRQQGNPJAMOL-BELGNNRLSA-N 0 3 294.402 3.003 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1csc(Cl)c1 ZINC000320809075 374353121 /nfs/dbraw/zinc/35/31/21/374353121.db2.gz WXPOTGSRSFCWNQ-KOLCDFICSA-N 0 3 259.802 3.379 20 30 CGEDHN C[C@H](CN(C)Cc1cc(C#N)cs1)c1nccs1 ZINC000183259687 374392667 /nfs/dbraw/zinc/39/26/67/374392667.db2.gz OOPSBTWQQJQPOX-SNVBAGLBSA-N 0 3 277.418 3.312 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cccc(C#N)c1 ZINC000185198356 374611245 /nfs/dbraw/zinc/61/12/45/374611245.db2.gz ABJBMBZDSMVZMF-IRXDYDNUSA-N 0 3 272.392 3.242 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000185246187 374620021 /nfs/dbraw/zinc/62/00/21/374620021.db2.gz IOLMYCZCDXYYFX-AWEZNQCLSA-N 0 3 292.423 3.081 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(CC(F)(F)F)CC2)C1 ZINC000334180086 374654471 /nfs/dbraw/zinc/65/44/71/374654471.db2.gz DQWGYIOQTQDEGW-RYUDHWBXSA-N 0 3 260.303 3.343 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000185898599 374763303 /nfs/dbraw/zinc/76/33/03/374763303.db2.gz JQHSAZUQVFHWGB-IAQYHMDHSA-N 0 3 290.794 3.447 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](CC)c1ccccc1OC(F)F ZINC000186707314 374903443 /nfs/dbraw/zinc/90/34/43/374903443.db2.gz NHMMKACGDNIWIA-AAEUAGOBSA-N 0 3 285.334 3.266 20 30 CGEDHN N#Cc1csc(CNC2CCc3ccccc3CC2)n1 ZINC000334620207 374913214 /nfs/dbraw/zinc/91/32/14/374913214.db2.gz NFHOTFSFHITHGI-UHFFFAOYSA-N 0 3 283.400 3.052 20 30 CGEDHN CC(C)COc1ccc(C(C)(C)NC(=O)C(C)C#N)cc1 ZINC000468798482 374984470 /nfs/dbraw/zinc/98/44/70/374984470.db2.gz BXDKVHJYADJNOO-ZDUSSCGKSA-N 0 3 288.391 3.232 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187259067 374994363 /nfs/dbraw/zinc/99/43/63/374994363.db2.gz QKGXRSPOBMVGPY-WMLDXEAASA-N 0 3 274.408 3.150 20 30 CGEDHN C=CC[C@H](CO)N[C@H]1CCSc2cc(C)c(C)cc21 ZINC000187545209 375039253 /nfs/dbraw/zinc/03/92/53/375039253.db2.gz XOGNPSROOCKHJI-HIFRSBDPSA-N 0 3 277.433 3.367 20 30 CGEDHN C=C(C)[C@@H](NCC[C@@H]1CCOC1=O)c1ccc(F)c(F)c1 ZINC000187777811 375093495 /nfs/dbraw/zinc/09/34/95/375093495.db2.gz QSLATUJSAQBGSJ-IAQYHMDHSA-N 0 3 295.329 3.125 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129634996 296225750 /nfs/dbraw/zinc/22/57/50/296225750.db2.gz LVRZUHLPYWLYQA-VKJFTORMSA-N 0 3 294.402 3.399 20 30 CGEDHN C=C(C)[C@@H](NCC1(C)COC1)c1ccc(F)c(F)c1 ZINC000481626221 375165192 /nfs/dbraw/zinc/16/51/92/375165192.db2.gz MDFUXCSJUGQWHI-CQSZACIVSA-N 0 3 267.319 3.208 20 30 CGEDHN C=C1CCN(CCCc2ccc3c(c2)CCO3)CC1 ZINC000482157587 375168035 /nfs/dbraw/zinc/16/80/35/375168035.db2.gz OIKWYTQPUYTEDW-UHFFFAOYSA-N 0 3 257.377 3.206 20 30 CGEDHN C[C@@H](CO)N(CC#Cc1ccc(Cl)cc1)CC1CCC1 ZINC000483154844 375176361 /nfs/dbraw/zinc/17/63/61/375176361.db2.gz VSVFTCNHZCWOON-AWEZNQCLSA-N 0 3 291.822 3.174 20 30 CGEDHN CC(C#N)C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC000335084156 375117196 /nfs/dbraw/zinc/11/71/96/375117196.db2.gz NFTAFADDSTVKMP-JSGCOSHPSA-N 0 3 256.349 3.146 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC(F)(F)C2)cc1F ZINC000335233327 375250344 /nfs/dbraw/zinc/25/03/44/375250344.db2.gz REKWNGCERJZMNF-GFCCVEGCSA-N 0 3 268.282 3.365 20 30 CGEDHN C=CCCCCCN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000487916126 375284735 /nfs/dbraw/zinc/28/47/35/375284735.db2.gz PZQGPWKYPJCEOY-NWDGAFQWSA-N 0 3 265.319 3.120 20 30 CGEDHN N#Cc1csc(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000335442103 375296642 /nfs/dbraw/zinc/29/66/42/375296642.db2.gz HYXVYPCFTPWTSM-CQSZACIVSA-N 0 3 269.373 3.004 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)s1 ZINC000335445577 375299591 /nfs/dbraw/zinc/29/95/91/375299591.db2.gz XKPSQAODOBHZTJ-CYBMUJFWSA-N 0 3 269.373 3.004 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000488285626 375306826 /nfs/dbraw/zinc/30/68/26/375306826.db2.gz YGOOYKTTWLAHHM-HIFRSBDPSA-N 0 3 262.397 3.498 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000488234915 375307078 /nfs/dbraw/zinc/30/70/78/375307078.db2.gz SDMVRSDBJYGURD-CRAIPNDOSA-N 0 3 292.382 3.289 20 30 CGEDHN N#Cc1csc(CNC[C@@H]2CCCCC(F)(F)C2)n1 ZINC000491590762 375334560 /nfs/dbraw/zinc/33/45/60/375334560.db2.gz DJSCMGYSCVLBGP-SNVBAGLBSA-N 0 3 285.363 3.320 20 30 CGEDHN CC(C(=O)N(C)c1cc(Cl)ccc1C#N)C(F)(F)F ZINC000335810296 375448720 /nfs/dbraw/zinc/44/87/20/375448720.db2.gz NURMZPXZQHZZJM-ZETCQYMHSA-N 0 3 290.672 3.373 20 30 CGEDHN C[C@@H]1OCC[C@@]1(C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000494234415 375487020 /nfs/dbraw/zinc/48/70/20/375487020.db2.gz PHQBGKNVEPTVKB-SWLSCSKDSA-N 0 3 297.320 3.214 20 30 CGEDHN C=CCN(C)Cc1cccc(Br)c1C ZINC000494643932 375489549 /nfs/dbraw/zinc/48/95/49/375489549.db2.gz WNCIUQKLTSGEBR-UHFFFAOYSA-N 0 3 254.171 3.375 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000335862482 375492094 /nfs/dbraw/zinc/49/20/94/375492094.db2.gz JIZVJJKKPSUKEX-QMTHXVAHSA-N 0 3 278.302 3.178 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CC#N)CC1 ZINC000335978641 375587339 /nfs/dbraw/zinc/58/73/39/375587339.db2.gz NYFVTUMXTKOMLD-CYBMUJFWSA-N 0 3 253.349 3.245 20 30 CGEDHN Cn1cc(CN2CCC[C@H]2Cc2cccc(F)c2)cc1C#N ZINC000191260138 375602639 /nfs/dbraw/zinc/60/26/39/375602639.db2.gz XSCPVKMYQXAJJU-KRWDZBQOSA-N 0 3 297.377 3.243 20 30 CGEDHN CC#CCCNCc1cnc(-c2ccccc2)s1 ZINC000499208523 375630789 /nfs/dbraw/zinc/63/07/89/375630789.db2.gz BOOJFTIYMOQLML-UHFFFAOYSA-N 0 3 256.374 3.313 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000336320997 375776248 /nfs/dbraw/zinc/77/62/48/375776248.db2.gz JCZRVTDWISZVLD-RDDDGLTNSA-N 0 3 283.158 3.257 20 30 CGEDHN CCC[C@@]1(NCC#Cc2cccc(Cl)c2)CCOC1 ZINC000512292086 375796255 /nfs/dbraw/zinc/79/62/55/375796255.db2.gz NWGOJADGIIQQNO-MRXNPFEDSA-N 0 3 277.795 3.240 20 30 CGEDHN C=CCCCN1CCN(c2ccccc2OCC)CC1 ZINC000522776403 375879471 /nfs/dbraw/zinc/87/94/71/375879471.db2.gz BXQYHNGZJRMGSH-UHFFFAOYSA-N 0 3 274.408 3.174 20 30 CGEDHN Cc1cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)ccc1C#N ZINC000336619900 375880932 /nfs/dbraw/zinc/88/09/32/375880932.db2.gz CPIWFKRBMOPZQG-MRXNPFEDSA-N 0 3 293.370 3.135 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000524756893 375881284 /nfs/dbraw/zinc/88/12/84/375881284.db2.gz PMGFAWXBSVZLRA-FRRDWIJNSA-N 0 3 260.406 3.445 20 30 CGEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2C2CCCC2)cc1 ZINC000193675355 375908086 /nfs/dbraw/zinc/90/80/86/375908086.db2.gz ARYFTOXBTBABGQ-QGZVFWFLSA-N 0 3 297.402 3.151 20 30 CGEDHN N#Cc1ccc(NC(=O)CN2CCC[C@H]2C2CCCC2)cc1 ZINC000193675374 375909402 /nfs/dbraw/zinc/90/94/02/375909402.db2.gz ARYFTOXBTBABGQ-KRWDZBQOSA-N 0 3 297.402 3.151 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000528763862 375909907 /nfs/dbraw/zinc/90/99/07/375909907.db2.gz NQBARFJSUMUSTG-BCUIYNNISA-N 0 3 277.795 3.093 20 30 CGEDHN C=CCCOCCNc1cc(CC)nc2ccccc21 ZINC000533782196 375957510 /nfs/dbraw/zinc/95/75/10/375957510.db2.gz DEPGHYVYQUQXSF-UHFFFAOYSA-N 0 3 270.376 3.224 20 30 CGEDHN C[C@@H]1[C@@H](Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000336710778 375913257 /nfs/dbraw/zinc/91/32/57/375913257.db2.gz KWKQOFWWJDMPOH-PBHICJAKSA-N 0 3 292.386 3.028 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529623875 375930856 /nfs/dbraw/zinc/93/08/56/375930856.db2.gz WJPJNFFCSFLWLC-ZDUSSCGKSA-N 0 3 253.349 3.294 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529715226 375934299 /nfs/dbraw/zinc/93/42/99/375934299.db2.gz YNQPXDDQXCCMNJ-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C(CC)CC)CC1 ZINC000535654694 376045921 /nfs/dbraw/zinc/04/59/21/376045921.db2.gz IJYANYJKOVLHOE-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN CC(C)CCN(CCC#N)CCCC1(C#N)CCOCC1 ZINC000337196490 376129005 /nfs/dbraw/zinc/12/90/05/376129005.db2.gz WHVJEOIWQBPZFJ-UHFFFAOYSA-N 0 3 291.439 3.349 20 30 CGEDHN Cc1cccc2c1CN(CCCC1(C#N)CCOCC1)CC2 ZINC000337222775 376148263 /nfs/dbraw/zinc/14/82/63/376148263.db2.gz CZAMFKNACNFURI-UHFFFAOYSA-N 0 3 298.430 3.454 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]2Cc2ccccc2)s1 ZINC000537619149 376182698 /nfs/dbraw/zinc/18/26/98/376182698.db2.gz XHVDEIYBUCHRCP-CQSZACIVSA-N 0 3 268.385 3.437 20 30 CGEDHN COC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000538508464 376246328 /nfs/dbraw/zinc/24/63/28/376246328.db2.gz NJASUOBAYSFRTR-NHYWBVRUSA-N 0 3 264.344 3.019 20 30 CGEDHN CS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000223264246 376249787 /nfs/dbraw/zinc/24/97/87/376249787.db2.gz ISSBSRZSQNSTLX-HUUCEWRRSA-N 0 3 278.396 3.461 20 30 CGEDHN C=CCN[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000539223980 376298224 /nfs/dbraw/zinc/29/82/24/376298224.db2.gz RUQPJVHIEGXALO-AWEZNQCLSA-N 0 3 268.360 3.497 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000228013417 376422368 /nfs/dbraw/zinc/42/23/68/376422368.db2.gz ABOUZQXZUKPVFP-XJKSGUPXSA-N 0 3 258.340 3.462 20 30 CGEDHN C=CCCN1CCN(Cc2ccc(CC)s2)CC1 ZINC000338547330 376422386 /nfs/dbraw/zinc/42/23/86/376422386.db2.gz SKCMQJLFFMMPMV-UHFFFAOYSA-N 0 3 264.438 3.004 20 30 CGEDHN CCN(CC1CCC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000230316484 376505273 /nfs/dbraw/zinc/50/52/73/376505273.db2.gz QDBQQRUWAPOKPD-ZDUSSCGKSA-N 0 3 285.391 3.007 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCc1cc(C#N)ccc1F ZINC000233844988 376604769 /nfs/dbraw/zinc/60/47/69/376604769.db2.gz HTGOJRIXQCOPPK-HUUCEWRRSA-N 0 3 278.396 3.461 20 30 CGEDHN OC[C@H](NCC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000542912396 376590560 /nfs/dbraw/zinc/59/05/60/376590560.db2.gz YZDJRXQIHFHHLC-KRWDZBQOSA-N 0 3 291.822 3.222 20 30 CGEDHN COc1cc(CN2CCC[C@@H](C)CC2)ccc1C#N ZINC000234973810 376627272 /nfs/dbraw/zinc/62/72/72/376627272.db2.gz YVYCVURDNGJCHY-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1CCC ZINC000544528750 376742092 /nfs/dbraw/zinc/74/20/92/376742092.db2.gz ITTZWSVWXBPQNZ-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000339429516 376756733 /nfs/dbraw/zinc/75/67/33/376756733.db2.gz YKOLWSXQMFRFPU-KCQAQPDRSA-N 0 3 298.365 3.354 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)C[C@H]1CCCC[C@H]1O ZINC000245559021 376854358 /nfs/dbraw/zinc/85/43/58/376854358.db2.gz VVVGENHSJNNJLE-NVXWUHKLSA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245597798 376865533 /nfs/dbraw/zinc/86/55/33/376865533.db2.gz LVRZUHLPYWLYQA-RVKKMQEKSA-N 0 3 294.402 3.399 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245960966 376944772 /nfs/dbraw/zinc/94/47/72/376944772.db2.gz YEHRGVJILPFYFT-BYNSBNAKSA-N 0 3 266.429 3.109 20 30 CGEDHN N#Cc1ccc(CNC2(CCOCc3ccccc3)CC2)o1 ZINC000340598640 377165548 /nfs/dbraw/zinc/16/55/48/377165548.db2.gz RRYRWNIXQTYCGD-UHFFFAOYSA-N 0 3 296.370 3.380 20 30 CGEDHN C[C@H](C1CC1)N(Cc1cccc(C#N)c1F)C1CC1 ZINC000340766476 377247980 /nfs/dbraw/zinc/24/79/80/377247980.db2.gz YVBQVSWIXGEUPP-LLVKDONJSA-N 0 3 258.340 3.460 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000248709095 377384612 /nfs/dbraw/zinc/38/46/12/377384612.db2.gz BPJWKCQLUIZWAS-QGPMSJSTSA-N 0 3 288.435 3.396 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H](CO)c1ccccc1OC ZINC000563859867 377473762 /nfs/dbraw/zinc/47/37/62/377473762.db2.gz OAKOTCCIMIOIEC-ZBFHGGJFSA-N 0 3 277.408 3.453 20 30 CGEDHN C=CC[C@H](CO)CNCc1nc(-c2ccccc2)cs1 ZINC000341261240 377474603 /nfs/dbraw/zinc/47/46/03/377474603.db2.gz NOGHDRVYICMWFO-ZDUSSCGKSA-N 0 3 288.416 3.084 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000565246037 377485384 /nfs/dbraw/zinc/48/53/84/377485384.db2.gz LFUPHJDIWXBTEM-MFKMUULPSA-N 0 3 298.367 3.265 20 30 CGEDHN CCC[C@H](C)[C@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000566305482 377495533 /nfs/dbraw/zinc/49/55/33/377495533.db2.gz XPPSEPWPQKWQBF-BBRMVZONSA-N 0 3 279.811 3.078 20 30 CGEDHN CCOCc1ccccc1CNCc1cc(C#N)cs1 ZINC000093492248 249037836 /nfs/dbraw/zinc/03/78/36/249037836.db2.gz UXKVSIOPISEXCB-UHFFFAOYSA-N 0 3 286.400 3.446 20 30 CGEDHN Cc1cc(CNCCc2c(F)cccc2F)ccc1C#N ZINC000443981795 249137453 /nfs/dbraw/zinc/13/74/53/249137453.db2.gz UAESMEJCHYAZAB-UHFFFAOYSA-N 0 3 286.325 3.477 20 30 CGEDHN CC(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000515852123 249222195 /nfs/dbraw/zinc/22/21/95/249222195.db2.gz ORPVSELBPXTUPQ-AWEZNQCLSA-N 0 3 273.336 3.087 20 30 CGEDHN N#Cc1ccc(Cl)cc1NC1CCN(C2CC2)CC1 ZINC000265547930 190189723 /nfs/dbraw/zinc/18/97/23/190189723.db2.gz PZCXVWWUQUJKQN-UHFFFAOYSA-N 0 3 275.783 3.250 20 30 CGEDHN CO[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@@H]1C ZINC000251531357 377586712 /nfs/dbraw/zinc/58/67/12/377586712.db2.gz DEXPWRHBGUIXHO-WMLDXEAASA-N 0 3 286.419 3.345 20 30 CGEDHN CCCCCCCN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000252801732 377663886 /nfs/dbraw/zinc/66/38/86/377663886.db2.gz HBOSSAFWGWMGNB-BZUAXINKSA-N 0 3 269.429 3.225 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000342727622 377758546 /nfs/dbraw/zinc/75/85/46/377758546.db2.gz VPNVXPIOTHNMGW-CABCVRRESA-N 0 3 274.408 3.069 20 30 CGEDHN C=C(CNCc1c(C)nn(CC)c1C)c1ccccc1 ZINC000264358333 377979543 /nfs/dbraw/zinc/97/95/43/377979543.db2.gz HDNHJQZGIXQDOX-UHFFFAOYSA-N 0 3 269.392 3.323 20 30 CGEDHN Cc1ccc([C@@H](CNc2nccc(C)c2C#N)N(C)C)cc1 ZINC000343448462 377982842 /nfs/dbraw/zinc/98/28/42/377982842.db2.gz ZUFGHTUHPMTVJS-QGZVFWFLSA-N 0 3 294.402 3.285 20 30 CGEDHN C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579114890 378131320 /nfs/dbraw/zinc/13/13/20/378131320.db2.gz GZBCOQOPCGKFMV-WFASDCNBSA-N 0 3 287.363 3.477 20 30 CGEDHN CCN1C[C@@H](C)N(c2cc(C#N)c3ccccc3n2)C[C@H]1C ZINC000345155533 378206608 /nfs/dbraw/zinc/20/66/08/378206608.db2.gz XIKXQCXHYYTSOI-ZIAGYGMSSA-N 0 3 294.402 3.025 20 30 CGEDHN Cc1noc(C)c1C[C@H](C)NCc1ccc(C#N)cc1F ZINC000269436619 378222169 /nfs/dbraw/zinc/22/21/69/378222169.db2.gz RGJUHWAZYDVUDJ-JTQLQIEISA-N 0 3 287.338 3.023 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000580258930 378235829 /nfs/dbraw/zinc/23/58/29/378235829.db2.gz OUOKVLXJRWKIJT-GASCZTMLSA-N 0 3 290.838 3.106 20 30 CGEDHN Cc1nc(CCN[C@H](C)c2ccc(C#N)c(F)c2)c(C)o1 ZINC000346123341 378470410 /nfs/dbraw/zinc/47/04/10/378470410.db2.gz ACJQESOPJDFARS-SNVBAGLBSA-N 0 3 287.338 3.196 20 30 CGEDHN CSC[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271933621 378522403 /nfs/dbraw/zinc/52/24/03/378522403.db2.gz JHCFXWLMWVJFDA-VHSXEESVSA-N 0 3 252.358 3.099 20 30 CGEDHN C=C(C)COc1cc(CN[C@@H]2CCSC2)ccc1OC ZINC000266124332 190232445 /nfs/dbraw/zinc/23/24/45/190232445.db2.gz BCBJWNMNSSXGDX-CQSZACIVSA-N 0 3 293.432 3.245 20 30 CGEDHN CCCCOCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271964641 378531798 /nfs/dbraw/zinc/53/17/98/378531798.db2.gz SHOXHQSTAISXQM-LBPRGKRZSA-N 0 3 264.344 3.165 20 30 CGEDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271978902 378536082 /nfs/dbraw/zinc/53/60/82/378536082.db2.gz WMWQGXMYJALFBX-DYVFJYSZSA-N 0 3 298.361 3.124 20 30 CGEDHN C=CCOCCCN1CCc2cc(OCC)ccc2C1 ZINC000348024927 378756779 /nfs/dbraw/zinc/75/67/79/378756779.db2.gz BEBIQMHMTXJOIO-UHFFFAOYSA-N 0 3 275.392 3.036 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1cc(F)ccc1OC ZINC000348029050 378758660 /nfs/dbraw/zinc/75/86/60/378758660.db2.gz HMFPVJRNYHWQJX-LBPRGKRZSA-N 0 3 267.344 3.078 20 30 CGEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000348320636 378905527 /nfs/dbraw/zinc/90/55/27/378905527.db2.gz MTJUDSFPDYPYLO-LBPRGKRZSA-N 0 3 296.374 3.277 20 30 CGEDHN C=CCN1CC[C@@H](N(C)CCCC2CCCCC2)C1=O ZINC000348282963 378884028 /nfs/dbraw/zinc/88/40/28/378884028.db2.gz BCIUPGCVZMDAJE-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000274854462 378908186 /nfs/dbraw/zinc/90/81/86/378908186.db2.gz RYFPBMWEQOBMIP-NSHDSACASA-N 0 3 267.344 3.460 20 30 CGEDHN N#Cc1ccc(OCCN2CC[C@@H]2c2ccccc2)cc1 ZINC000348527497 378977450 /nfs/dbraw/zinc/97/74/50/378977450.db2.gz SBLKDFZRGDDYIY-GOSISDBHSA-N 0 3 278.355 3.384 20 30 CGEDHN C=CCC[C@H](C)[NH2+][C@H](C)c1nnc([C@H](C)CC)[n-]1 ZINC000277263855 379113843 /nfs/dbraw/zinc/11/38/43/379113843.db2.gz PCUBQDDHJIOFIJ-GRYCIOLGSA-N 0 3 250.390 3.324 20 30 CGEDHN C=CCC[C@H](C)N[C@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000277263855 379113847 /nfs/dbraw/zinc/11/38/47/379113847.db2.gz PCUBQDDHJIOFIJ-GRYCIOLGSA-N 0 3 250.390 3.324 20 30 CGEDHN C#CCCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000373437408 379277053 /nfs/dbraw/zinc/27/70/53/379277053.db2.gz WULUPMUEGVHIBP-UHFFFAOYSA-N 0 3 268.360 3.339 20 30 CGEDHN CC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000278233648 379324700 /nfs/dbraw/zinc/32/47/00/379324700.db2.gz KPJGTYWVKSWCQQ-QZTJIDSGSA-N 0 3 298.361 3.472 20 30 CGEDHN CC[C@H](NCc1cnn(CC)c1)c1ccc(C#N)cc1 ZINC000278158413 379304965 /nfs/dbraw/zinc/30/49/65/379304965.db2.gz ASOUSYSJODPMNU-INIZCTEOSA-N 0 3 268.364 3.016 20 30 CGEDHN C[C@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000347588841 218282559 /nfs/dbraw/zinc/28/25/59/218282559.db2.gz XDWGWAFZVVWLKB-UONOGXRCSA-N 0 3 267.376 3.289 20 30 CGEDHN Cn1cc(CN2CC[C@](C)(c3ccc(F)cc3)C2)cc1C#N ZINC000373609646 379307334 /nfs/dbraw/zinc/30/73/34/379307334.db2.gz LSXSXXQCYNULFX-SFHVURJKSA-N 0 3 297.377 3.199 20 30 CGEDHN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccc(C#N)o2)C1 ZINC000373614211 379307743 /nfs/dbraw/zinc/30/77/43/379307743.db2.gz WTLGCDMZFAWQRG-KRWDZBQOSA-N 0 3 284.334 3.454 20 30 CGEDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000279462336 379440871 /nfs/dbraw/zinc/44/08/71/379440871.db2.gz JFORUNJUVNTCBO-IUIKQTSFSA-N 0 3 276.355 3.306 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OC(F)F)C1 ZINC000349821278 379402702 /nfs/dbraw/zinc/40/27/02/379402702.db2.gz JTLGPKKNLBZBGZ-ZYHUDNBSSA-N 0 3 266.291 3.070 20 30 CGEDHN C=C(C)[C@@H](NCCc1cnccn1)c1ccc(F)c(F)c1 ZINC000639593751 379498358 /nfs/dbraw/zinc/49/83/58/379498358.db2.gz IASMGYKKCWXGJY-MRXNPFEDSA-N 0 3 289.329 3.204 20 30 CGEDHN Cc1cc(C#N)cc(N[C@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000376401288 379550554 /nfs/dbraw/zinc/55/05/54/379550554.db2.gz AAPDNMJVJBXLKP-WMZOPIPTSA-N 0 3 292.386 3.119 20 30 CGEDHN C=CCC[C@H](N[C@H]1CCc2c[nH]nc2C1)c1ccco1 ZINC000375812002 379511125 /nfs/dbraw/zinc/51/11/25/379511125.db2.gz XINGTSPAJRQWKB-KBPBESRZSA-N 0 3 271.364 3.157 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1ccc2c(c1)nnn2C ZINC000351582770 379728811 /nfs/dbraw/zinc/72/88/11/379728811.db2.gz NPBMBRVQGFTEHX-UHFFFAOYSA-N 0 3 292.386 3.157 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000280910363 379809091 /nfs/dbraw/zinc/80/90/91/379809091.db2.gz RZURABQQGAEXCJ-AHIWAGSCSA-N 0 3 291.391 3.033 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(OC)cc1F ZINC000280779149 379787394 /nfs/dbraw/zinc/78/73/94/379787394.db2.gz IBPBFQMDEJLCNM-XNJGSVPQSA-N 0 3 293.382 3.466 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccccc1SC ZINC000281674463 379843580 /nfs/dbraw/zinc/84/35/80/379843580.db2.gz LVQOVPOAFCVYHQ-STQMWFEESA-N 0 3 265.422 3.386 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(-c2ccccc2)s1 ZINC000352454152 379822288 /nfs/dbraw/zinc/82/22/88/379822288.db2.gz RYPSNMBMDORUNC-CYBMUJFWSA-N 0 3 259.374 3.052 20 30 CGEDHN N#Cc1ccc(CN2CCc3ccccc3CC2)cc1F ZINC000404249149 379979152 /nfs/dbraw/zinc/97/91/52/379979152.db2.gz IYCKMTMNROPUKZ-UHFFFAOYSA-N 0 3 280.346 3.298 20 30 CGEDHN Cc1cc(CNCc2ccc(CC#N)cc2)cs1 ZINC000399016048 379933019 /nfs/dbraw/zinc/93/30/19/379933019.db2.gz DYYBHXLOZGKWSA-UHFFFAOYSA-N 0 3 256.374 3.412 20 30 CGEDHN Cc1ccccc1C(C)(C)CNCc1nc(C#N)cs1 ZINC000352851625 380003886 /nfs/dbraw/zinc/00/38/86/380003886.db2.gz INKVQCPOQVIKGJ-UHFFFAOYSA-N 0 3 285.416 3.391 20 30 CGEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CC2)c(F)c1 ZINC000353055666 380095161 /nfs/dbraw/zinc/09/51/61/380095161.db2.gz SVWUQWAZRBDDED-UHFFFAOYSA-N 0 3 272.245 3.129 20 30 CGEDHN C[C@H]1C[C@H](Nc2ccc(C#N)cn2)CN1Cc1ccccc1 ZINC000268117796 190378032 /nfs/dbraw/zinc/37/80/32/190378032.db2.gz FFWQOAKVNKPKEE-YOEHRIQHSA-N 0 3 292.386 3.028 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000268151824 190381274 /nfs/dbraw/zinc/38/12/74/190381274.db2.gz KZZDTBMNLWEFLV-SFHVURJKSA-N 0 3 298.430 3.146 20 30 CGEDHN COc1ccc([C@H](C)NCC2(CC#N)CC2)c(C)c1 ZINC000414141722 380193415 /nfs/dbraw/zinc/19/34/15/380193415.db2.gz KJTWDCQTPSHPID-ZDUSSCGKSA-N 0 3 258.365 3.348 20 30 CGEDHN COc1ccc(OC)c([C@H](C)NCC(C)(C)CC#N)c1 ZINC000414158538 380194080 /nfs/dbraw/zinc/19/40/80/380194080.db2.gz AHJSQUCBKZGDCP-LBPRGKRZSA-N 0 3 276.380 3.294 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1cccc([N+](=O)[O-])c1 ZINC000414171335 380197265 /nfs/dbraw/zinc/19/72/65/380197265.db2.gz UMUIOCALNDKYDD-NSHDSACASA-N 0 3 261.325 3.185 20 30 CGEDHN CC(C)(C)c1ccncc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000414227545 380203476 /nfs/dbraw/zinc/20/34/76/380203476.db2.gz KVNRCVQDVJGBHG-GXTWGEPZSA-N 0 3 257.381 3.161 20 30 CGEDHN N#CC1(CCN[C@@H](CO)c2cccc(F)c2)CCCCC1 ZINC000411503580 380150136 /nfs/dbraw/zinc/15/01/36/380150136.db2.gz KSFZYNQRPGMPSC-INIZCTEOSA-N 0 3 290.382 3.313 20 30 CGEDHN C=CCC[C@H](NCc1nnc(C2CC2)s1)C1CC1 ZINC000414321804 380212838 /nfs/dbraw/zinc/21/28/38/380212838.db2.gz FNUAVKUNQRGTOI-LBPRGKRZSA-N 0 3 263.410 3.250 20 30 CGEDHN Cc1cnn(C)c1CN[C@H](CCCC#N)c1ccccc1 ZINC000353917212 380234420 /nfs/dbraw/zinc/23/44/20/380234420.db2.gz SZZBOKYUSYMZJP-MRXNPFEDSA-N 0 3 282.391 3.253 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1cn(C(C)C)nn1 ZINC000414539868 380309404 /nfs/dbraw/zinc/30/94/04/380309404.db2.gz SWUVPDHQLAQCSM-MRXNPFEDSA-N 0 3 284.407 3.136 20 30 CGEDHN C=CCC(C)(C)CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000416007779 380518514 /nfs/dbraw/zinc/51/85/14/380518514.db2.gz LNTVBCPDZDLELO-UHFFFAOYSA-N 0 3 273.380 3.014 20 30 CGEDHN CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000417361505 380609013 /nfs/dbraw/zinc/60/90/13/380609013.db2.gz IXKJQXQTHDTFEH-QZTJIDSGSA-N 0 3 294.402 3.410 20 30 CGEDHN CC(C)C[C@@]1(CO)CCCN1Cc1cccc(C#N)c1F ZINC000355745827 380767367 /nfs/dbraw/zinc/76/73/67/380767367.db2.gz MRHICAGSEGGHAA-QGZVFWFLSA-N 0 3 290.382 3.070 20 30 CGEDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCC(C)(C)C#N)C1 ZINC000421024314 380871592 /nfs/dbraw/zinc/87/15/92/380871592.db2.gz PXKPZXWMUVYVBQ-UONOGXRCSA-N 0 3 294.439 3.226 20 30 CGEDHN C=CC[C@H](C)[C@H](C)NCc1nnc(C(C)C)s1 ZINC000358284134 381300211 /nfs/dbraw/zinc/30/02/11/381300211.db2.gz HIFWGGJECVUYMJ-QWRGUYRKSA-N 0 3 253.415 3.352 20 30 CGEDHN CCC(C)(C)N(C)Cc1cn2ccccc2c1C#N ZINC000357748681 381276073 /nfs/dbraw/zinc/27/60/73/381276073.db2.gz CWHFKASJOFPAMZ-UHFFFAOYSA-N 0 3 255.365 3.431 20 30 CGEDHN CC(C)CCN(CCC#N)CCCC1CCOCC1 ZINC000361465795 381758403 /nfs/dbraw/zinc/75/84/03/381758403.db2.gz OOMRFQUXKWQRCZ-UHFFFAOYSA-N 0 3 266.429 3.455 20 30 CGEDHN C[C@@H](CO)N(Cc1ccc(C#N)cc1Cl)CC1CCC1 ZINC000361492894 381772460 /nfs/dbraw/zinc/77/24/60/381772460.db2.gz NJGMAORPRRRHMB-LBPRGKRZSA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1ccnc(N2CCN(CCCC3CCCC3)CC2)c1 ZINC000361645060 381856182 /nfs/dbraw/zinc/85/61/82/381856182.db2.gz BWRSTBQYCZIJFY-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN C=CCCC[C@H](C)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000361648888 381859011 /nfs/dbraw/zinc/85/90/11/381859011.db2.gz VINUEFSLZJZICU-ARFHVFGLSA-N 0 3 267.413 3.001 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@](C)(CCC)C1 ZINC000362433859 381989057 /nfs/dbraw/zinc/98/90/57/381989057.db2.gz IMAWKZXXGYGTOU-QGZVFWFLSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCC[C@@H](CC)N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000368188063 382368744 /nfs/dbraw/zinc/36/87/44/382368744.db2.gz KPVNONPIXWRMQP-HZPDHXFCSA-N 0 3 291.439 3.241 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)c(F)c1 ZINC000335368928 208295480 /nfs/dbraw/zinc/29/54/80/208295480.db2.gz PKYVAMHDWBKEBS-WBVHZDCISA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000335380747 208321933 /nfs/dbraw/zinc/32/19/33/208321933.db2.gz QGHTUERCADQKGY-NVXWUHKLSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000346980492 533113359 /nfs/dbraw/zinc/11/33/59/533113359.db2.gz LWURATZZEIAVHJ-NSHDSACASA-N 0 3 291.420 3.009 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000347100884 533117151 /nfs/dbraw/zinc/11/71/51/533117151.db2.gz CNTUQORMHLIZLV-SWLSCSKDSA-N 0 3 256.349 3.194 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000301763093 542413636 /nfs/dbraw/zinc/41/36/36/542413636.db2.gz UINAFEWDBPNKKQ-JTQLQIEISA-N 0 3 257.736 3.332 20 30 CGEDHN C=CCOCCN[C@H](C)c1cnc2ccsc2c1 ZINC000310732910 542428708 /nfs/dbraw/zinc/42/87/08/542428708.db2.gz XLHVRXVZZSZTOJ-LLVKDONJSA-N 0 3 262.378 3.150 20 30 CGEDHN C=CCN(Cc1cccs1)[C@@H]1CCCC[C@H]1O ZINC000344606213 542503896 /nfs/dbraw/zinc/50/38/96/542503896.db2.gz PHFFJMRKYSAQIZ-ZIAGYGMSSA-N 0 3 251.395 3.040 20 30 CGEDHN C[C@@H](NCC(C)(C)C[C@H](C)O)c1ccc(C#N)cc1F ZINC000358575416 533351552 /nfs/dbraw/zinc/35/15/52/533351552.db2.gz SPHPZDMJOASDRD-NWDGAFQWSA-N 0 3 278.371 3.145 20 30 CGEDHN C=CCN(CCc1cscn1)Cc1ccc(OC)cc1 ZINC000284390816 392312332 /nfs/dbraw/zinc/31/23/32/392312332.db2.gz VRELHIVQGVYQDP-UHFFFAOYSA-N 0 3 288.416 3.382 20 30 CGEDHN C#CCCOc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000285224673 392319775 /nfs/dbraw/zinc/31/97/75/392319775.db2.gz RXGPWBXEWPSXLH-RBUKOAKNSA-N 0 3 299.414 3.232 20 30 CGEDHN CC[C@@H](N[C@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283514946 392305705 /nfs/dbraw/zinc/30/57/05/392305705.db2.gz ZWCYAAPCJFFVLI-KGLIPLIRSA-N 0 3 260.406 3.493 20 30 CGEDHN C=CCC[C@@H](NCCN(C)CC(F)(F)F)c1ccco1 ZINC000285914470 392347607 /nfs/dbraw/zinc/34/76/07/392347607.db2.gz DKMPUSAXGBDNKF-GFCCVEGCSA-N 0 3 290.329 3.371 20 30 CGEDHN C=CCOc1cccc(CN2CCC(n3cccn3)CC2)c1 ZINC000121925843 392417551 /nfs/dbraw/zinc/41/75/51/392417551.db2.gz YDGIWDOJTKPKAW-UHFFFAOYSA-N 0 3 297.402 3.285 20 30 CGEDHN C#C[C@@H](N[C@H](C)CC(=O)Nc1cccc(C)c1C)C(C)C ZINC000289621417 392425940 /nfs/dbraw/zinc/42/59/40/392425940.db2.gz WJHQHLCUWPWVOX-GDBMZVCRSA-N 0 3 286.419 3.268 20 30 CGEDHN C#Cc1ccc(CN(C)C[C@@H](C)c2nccs2)cc1 ZINC000290331813 392444769 /nfs/dbraw/zinc/44/47/69/392444769.db2.gz KIVZRQCFFNJMPK-CYBMUJFWSA-N 0 3 270.401 3.360 20 30 CGEDHN C#Cc1ccc(CN(C)C[C@H](C)c2nccs2)cc1 ZINC000290331822 392445413 /nfs/dbraw/zinc/44/54/13/392445413.db2.gz KIVZRQCFFNJMPK-ZDUSSCGKSA-N 0 3 270.401 3.360 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000121147318 392408839 /nfs/dbraw/zinc/40/88/39/392408839.db2.gz HJJFCGLVQDRZNF-LSDHHAIUSA-N 0 3 266.429 3.064 20 30 CGEDHN CC#CCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000155195454 392539961 /nfs/dbraw/zinc/53/99/61/392539961.db2.gz LVJHBRWETCPTGS-KRWDZBQOSA-N 0 3 257.377 3.081 20 30 CGEDHN CC#CCCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000156533136 392547604 /nfs/dbraw/zinc/54/76/04/392547604.db2.gz YEXFYAGHHYLKCM-CQSZACIVSA-N 0 3 268.360 3.421 20 30 CGEDHN CO[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000178527241 392680507 /nfs/dbraw/zinc/68/05/07/392680507.db2.gz JDTWGUNOUJMAAP-OAHLLOKOSA-N 0 3 272.392 3.099 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]2CCCC[C@H]21 ZINC000302846605 392621880 /nfs/dbraw/zinc/62/18/80/392621880.db2.gz JLNSDDONKFJPHV-HZPDHXFCSA-N 0 3 278.440 3.066 20 30 CGEDHN CN(CCCC(C)(C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000174856697 392647153 /nfs/dbraw/zinc/64/71/53/392647153.db2.gz HIBZDZZADKWBLW-MRXNPFEDSA-N 0 3 299.418 3.054 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(CC(F)(F)F)CC2)C1 ZINC000334180085 392708491 /nfs/dbraw/zinc/70/84/91/392708491.db2.gz DQWGYIOQTQDEGW-NWDGAFQWSA-N 0 3 260.303 3.343 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000334319939 392719479 /nfs/dbraw/zinc/71/94/79/392719479.db2.gz VCQCGELUSQVODH-IONNQARKSA-N 0 3 268.769 3.055 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1F)C1CCSCC1 ZINC000187173780 392788038 /nfs/dbraw/zinc/78/80/38/392788038.db2.gz LKNPLZBQKRUQEW-NSHDSACASA-N 0 3 278.396 3.319 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000519704062 392885344 /nfs/dbraw/zinc/88/53/44/392885344.db2.gz HCFOMUUPIXWHGD-DABQJJPHSA-N 0 3 280.293 3.465 20 30 CGEDHN CCOc1ccc2c(c1)CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000336625674 392865801 /nfs/dbraw/zinc/86/58/01/392865801.db2.gz SCHQTFMVULIBOR-XJKSGUPXSA-N 0 3 270.376 3.136 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000648292909 392960885 /nfs/dbraw/zinc/96/08/85/392960885.db2.gz ABQFILXERKNKTQ-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN COc1ccc([C@@H](NCc2ccc(C#N)cc2)C2CC2)cn1 ZINC000527842380 392961426 /nfs/dbraw/zinc/96/14/26/392961426.db2.gz XNABFGABNZBFHB-SFHVURJKSA-N 0 3 293.370 3.203 20 30 CGEDHN CCN1C[C@@H](C)N(CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411723054 392987216 /nfs/dbraw/zinc/98/72/16/392987216.db2.gz RXDACKQUZOJPQX-IYBDPMFKSA-N 0 3 277.456 3.265 20 30 CGEDHN C[C@@H](CCC#N)N1CCC2(CC1)OCCc1ccccc12 ZINC000411887218 392990309 /nfs/dbraw/zinc/99/03/09/392990309.db2.gz YVLAMBHGHOVRRD-HNNXBMFYSA-N 0 3 284.403 3.243 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2[nH]cnc2c1 ZINC000534336805 392998419 /nfs/dbraw/zinc/99/84/19/392998419.db2.gz BZAVREHVMUJYSA-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000534336805 392998428 /nfs/dbraw/zinc/99/84/28/392998428.db2.gz BZAVREHVMUJYSA-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN CC(C)C[C@@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000466673849 393046707 /nfs/dbraw/zinc/04/67/07/393046707.db2.gz VEYGTLXRHIVXNH-KRWDZBQOSA-N 0 3 299.418 3.397 20 30 CGEDHN C=C(C)CN(CC[C@H]1CCOC1)Cc1cnn(C(C)C)c1 ZINC000348873112 393134170 /nfs/dbraw/zinc/13/41/70/393134170.db2.gz DUCQUBAKMCDFNW-INIZCTEOSA-N 0 3 291.439 3.269 20 30 CGEDHN C=CCOc1ccc(CN(C)C[C@@H](C)OC)cc1Cl ZINC000348847014 393134853 /nfs/dbraw/zinc/13/48/53/393134853.db2.gz HLCRWZBGKKRRCY-GFCCVEGCSA-N 0 3 283.799 3.372 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000352721406 393207918 /nfs/dbraw/zinc/20/79/18/393207918.db2.gz MEOSZFFOBDLINI-GOEBONIOSA-N 0 3 266.429 3.453 20 30 CGEDHN COC1(CNCc2ccc(C#N)cc2F)CCC(C)CC1 ZINC000355417695 393314893 /nfs/dbraw/zinc/31/48/93/393314893.db2.gz TWKKUEZTZKOGOD-UHFFFAOYSA-N 0 3 290.382 3.382 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N(C)CC[C@@H]2CCCCN2C)c1 ZINC000273198597 393273355 /nfs/dbraw/zinc/27/33/55/393273355.db2.gz KSPWWIXWQFZXCI-KRWDZBQOSA-N 0 3 299.418 3.071 20 30 CGEDHN COCCCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000419391918 393368461 /nfs/dbraw/zinc/36/84/61/393368461.db2.gz XPZSDNPDQBOFBA-UHFFFAOYSA-N 0 3 298.333 3.018 20 30 CGEDHN CC(C)(C)[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000475634471 393409927 /nfs/dbraw/zinc/40/99/27/393409927.db2.gz JNFONODNINWBMG-HNNXBMFYSA-N 0 3 296.418 3.464 20 30 CGEDHN CCc1cnccc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000361131965 393679719 /nfs/dbraw/zinc/67/97/19/393679719.db2.gz MPUFZLXUPGDYIZ-AWEZNQCLSA-N 0 3 295.386 3.245 20 30 CGEDHN C=CCOc1cccc(CN(CC)C[C@H](C)OC)c1 ZINC000361015437 393641344 /nfs/dbraw/zinc/64/13/44/393641344.db2.gz BJSZASRZNQMHNJ-AWEZNQCLSA-N 0 3 263.381 3.108 20 30 CGEDHN N#Cc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)c(F)c1 ZINC000449535406 393887268 /nfs/dbraw/zinc/88/72/68/393887268.db2.gz HQPUMIFZNLGLHI-NVXWUHKLSA-N 0 3 270.351 3.318 20 30 CGEDHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1OC ZINC000501212157 393848700 /nfs/dbraw/zinc/84/87/00/393848700.db2.gz VJWYIGYWOIOQKG-DOMZBBRYSA-N 0 3 258.365 3.187 20 30 CGEDHN CCC(C)(C)OCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000453407855 394236831 /nfs/dbraw/zinc/23/68/31/394236831.db2.gz MRNLITTYRRVOOH-INIZCTEOSA-N 0 3 272.392 3.340 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)Nc1cccc(CN)c1 ZINC000667736939 542923925 /nfs/dbraw/zinc/92/39/25/542923925.db2.gz YTEOZPAFGZGACA-GFCCVEGCSA-N 0 3 261.369 3.012 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](CO)c2ccc(F)cc2F)C1 ZINC000668754412 543056193 /nfs/dbraw/zinc/05/61/93/543056193.db2.gz MTRRRMTYUBWFPK-AXAPSJFSSA-N 0 3 281.346 3.333 20 30 CGEDHN COC1(CN(Cc2ccc(C#N)cc2)C2CC2)CCCC1 ZINC000361508941 292109739 /nfs/dbraw/zinc/10/97/39/292109739.db2.gz RIRVDZRFTKHLAY-UHFFFAOYSA-N 0 3 284.403 3.482 20 30 CGEDHN CCN(Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000735309915 572714202 /nfs/dbraw/zinc/71/42/02/572714202.db2.gz NDRVQTGQEYLXGO-UHFFFAOYSA-N 0 3 266.772 3.473 20 30 CGEDHN C=CCOCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649916667 397753324 /nfs/dbraw/zinc/75/33/24/397753324.db2.gz JGDRRRZFNLRLJD-BZSNNMDCSA-N 0 3 287.403 3.184 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000677480347 543451256 /nfs/dbraw/zinc/45/12/56/543451256.db2.gz XLFXUZZODPRLFU-HOTGVXAUSA-N 0 3 263.356 3.194 20 30 CGEDHN COCC#CCN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000677820263 543467832 /nfs/dbraw/zinc/46/78/32/543467832.db2.gz KSLTWJZHVDXLEQ-QZTJIDSGSA-N 0 3 271.404 3.213 20 30 CGEDHN C=C(C)[C@@H](CO)N(CC)Cc1cccc(Br)c1 ZINC000678050390 543479210 /nfs/dbraw/zinc/47/92/10/543479210.db2.gz ZPFTVUBJWNNWLY-CQSZACIVSA-N 0 3 298.224 3.208 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(SCC)cc1 ZINC000678764044 543554305 /nfs/dbraw/zinc/55/43/05/543554305.db2.gz KXJNKTFXSABAEF-SWLSCSKDSA-N 0 3 265.422 3.386 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000678779659 543557391 /nfs/dbraw/zinc/55/73/91/543557391.db2.gz LRQWYOPIDDGCIV-GJZGRUSLSA-N 0 3 267.376 3.325 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc2ccccc21 ZINC000678728846 543550772 /nfs/dbraw/zinc/55/07/72/543550772.db2.gz PZLIHURSCQWVNO-DYVFJYSZSA-N 0 3 255.361 3.427 20 30 CGEDHN C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000336412552 287067074 /nfs/dbraw/zinc/06/70/74/287067074.db2.gz AUHWJDDJVGHUON-PXAZEXFGSA-N 0 3 280.375 3.400 20 30 CGEDHN CCC[C@@H](NCCOc1ccc(C#N)cc1)c1ccccn1 ZINC000090106927 165228351 /nfs/dbraw/zinc/22/83/51/165228351.db2.gz GLJGVLBCMXWFMS-QGZVFWFLSA-N 0 3 295.386 3.463 20 30 CGEDHN C[C@H]1C[C@H](Nc2cc(C#N)c3ccccc3n2)CCN1C ZINC000090795399 165242754 /nfs/dbraw/zinc/24/27/54/165242754.db2.gz CFDIMVCUVOGHPL-GXTWGEPZSA-N 0 3 280.375 3.001 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2cccc(F)c2)o1 ZINC000092121043 165282611 /nfs/dbraw/zinc/28/26/11/165282611.db2.gz WGIZVIWYLULZPH-HNNXBMFYSA-N 0 3 284.334 3.497 20 30 CGEDHN COc1ccccc1C[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000092660831 165308210 /nfs/dbraw/zinc/30/82/10/165308210.db2.gz AZMRQGJMSMXXSK-OAHLLOKOSA-N 0 3 296.370 3.367 20 30 CGEDHN C[C@@H](Cc1cccs1)NCc1ccc(C#N)cc1F ZINC000071270123 176103896 /nfs/dbraw/zinc/10/38/96/176103896.db2.gz RLKXZPRCQCCMMY-NSHDSACASA-N 0 3 274.364 3.480 20 30 CGEDHN C=C(C)CCN[C@H](CCSC)c1nnc2ccccn21 ZINC000275033933 416525029 /nfs/dbraw/zinc/52/50/29/416525029.db2.gz AWUNUGBDEXVGIN-CYBMUJFWSA-N 0 3 290.436 3.079 20 30 CGEDHN C=CCOCCNCc1ccc(-c2ccccc2)o1 ZINC000679487057 543640751 /nfs/dbraw/zinc/64/07/51/543640751.db2.gz WLIJTZGDHAAMTQ-UHFFFAOYSA-N 0 3 257.333 3.239 20 30 CGEDHN C[C@H]1OCC[C@@]1(C)NCc1cccc(OCCCC#N)c1 ZINC000344387981 225056516 /nfs/dbraw/zinc/05/65/16/225056516.db2.gz FLILSQLLUQKTGW-RHSMWYFYSA-N 0 3 288.391 3.026 20 30 CGEDHN C=CCOCCN[C@H](C)c1sc(C(C)C)nc1C ZINC000679576934 543648758 /nfs/dbraw/zinc/64/87/58/543648758.db2.gz YZZFRFXTJYBWBX-LLVKDONJSA-N 0 3 268.426 3.428 20 30 CGEDHN COCC#CCN[C@@H](CC(C)C)c1cccs1 ZINC000680390640 543708056 /nfs/dbraw/zinc/70/80/56/543708056.db2.gz OUJVRJNFZFQVQP-ZDUSSCGKSA-N 0 3 251.395 3.075 20 30 CGEDHN C=CCOCCN[C@@H]1CCCSc2ccc(OC)cc21 ZINC000682140641 543828449 /nfs/dbraw/zinc/82/84/49/543828449.db2.gz JYDHKTAIKHPBPT-OAHLLOKOSA-N 0 3 293.432 3.414 20 30 CGEDHN C=CCC[C@@H](NCC1(OC)CCOCC1)c1ccco1 ZINC000682805870 543870223 /nfs/dbraw/zinc/87/02/23/543870223.db2.gz NLQCRVDHQNLJCP-CQSZACIVSA-N 0 3 279.380 3.072 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000347102808 226049528 /nfs/dbraw/zinc/04/95/28/226049528.db2.gz IMZIJWUUDJQAEZ-CYBMUJFWSA-N 0 3 286.375 3.174 20 30 CGEDHN COC[C@H](Cc1ccccc1)N(C)CCC(C)(C)C#N ZINC000347179712 226070928 /nfs/dbraw/zinc/07/09/28/226070928.db2.gz ZNECBSLGFGUSDC-INIZCTEOSA-N 0 3 274.408 3.116 20 30 CGEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(C)C#N)o1 ZINC000347734189 226233159 /nfs/dbraw/zinc/23/31/59/226233159.db2.gz NYJOWOHSGGJRIN-GVXVVHGQSA-N 0 3 260.337 3.047 20 30 CGEDHN N#CC(C(=O)c1ccccc1OC1CC1)c1ccccn1 ZINC000347762367 226241208 /nfs/dbraw/zinc/24/12/08/226241208.db2.gz WUFTWXJQEJSFGP-CQSZACIVSA-N 0 3 278.311 3.113 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000352616065 227113535 /nfs/dbraw/zinc/11/35/35/227113535.db2.gz MTWXDVLTXKYWFZ-LBPRGKRZSA-N 0 3 276.405 3.226 20 30 CGEDHN C=CCOCCN1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805541 419087853 /nfs/dbraw/zinc/08/78/53/419087853.db2.gz VSJRNFNVQGVIQK-UHFFFAOYSA-N 0 3 297.402 3.012 20 30 CGEDHN C=CCN(CCc1nsc2ccccc21)C1CC1 ZINC000660170390 419092100 /nfs/dbraw/zinc/09/21/00/419092100.db2.gz QXPSOSWZQGFPPO-UHFFFAOYSA-N 0 3 258.390 3.489 20 30 CGEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000665269839 419097045 /nfs/dbraw/zinc/09/70/45/419097045.db2.gz NSKPPPOMQQUROD-GJZGRUSLSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000660338015 419128947 /nfs/dbraw/zinc/12/89/47/419128947.db2.gz BSOHMURLSPGUDS-CQSZACIVSA-N 0 3 295.452 3.006 20 30 CGEDHN C=CCN(Cc1ccc(OC(F)F)cc1)[C@H](C)COC ZINC000661244029 419244378 /nfs/dbraw/zinc/24/43/78/419244378.db2.gz PVJQAZGGAREALH-GFCCVEGCSA-N 0 3 285.334 3.311 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)nn1 ZINC000657298187 419245394 /nfs/dbraw/zinc/24/53/94/419245394.db2.gz UMAUIMAOAPPGNQ-OWCLPIDISA-N 0 3 288.439 3.303 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000661377912 419255043 /nfs/dbraw/zinc/25/50/43/419255043.db2.gz WNWYLQKMOWSHTK-CYBMUJFWSA-N 0 3 291.366 3.480 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nccc(OC)c1OC ZINC000661115879 419231728 /nfs/dbraw/zinc/23/17/28/419231728.db2.gz UYMDDHYLONVLST-KBPBESRZSA-N 0 3 290.407 3.323 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncnn1C(C)C ZINC000661115003 419232251 /nfs/dbraw/zinc/23/22/51/419232251.db2.gz OBENGOBAJDBLPE-UONOGXRCSA-N 0 3 262.401 3.084 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCCC(C)(C)C2)nn1 ZINC000657485225 419291035 /nfs/dbraw/zinc/29/10/35/419291035.db2.gz VVWUQLQERKJLBW-CQSZACIVSA-N 0 3 276.428 3.160 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCCC2=O)CC1 ZINC000661956094 419315104 /nfs/dbraw/zinc/31/51/04/419315104.db2.gz WBHYFGKTXGSDKW-AWEZNQCLSA-N 0 3 282.387 3.454 20 30 CGEDHN C=CCC1(NCc2ncc(COC)s2)CCCC1 ZINC000657702725 419330142 /nfs/dbraw/zinc/33/01/42/419330142.db2.gz OUUVJDAQOGQJIX-UHFFFAOYSA-N 0 3 266.410 3.268 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000662079247 419333205 /nfs/dbraw/zinc/33/32/05/419333205.db2.gz LUEBJPVITPYOLO-RYQLBKOJSA-N 0 3 298.430 3.389 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000662079245 419333473 /nfs/dbraw/zinc/33/34/73/419333473.db2.gz LUEBJPVITPYOLO-NXHRZFHOSA-N 0 3 298.430 3.389 20 30 CGEDHN Cc1cccc2nc(CNC3CCC(C)(C#N)CC3)cn21 ZINC000336229041 228218122 /nfs/dbraw/zinc/21/81/22/228218122.db2.gz RDWBPMXCGONLOK-UHFFFAOYSA-N 0 3 282.391 3.205 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(-c2ccc(C)cc2)s1 ZINC000657791359 419354506 /nfs/dbraw/zinc/35/45/06/419354506.db2.gz UWUQWLQOHMTPAP-CQSZACIVSA-N 0 3 273.401 3.360 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H](C)C1(OC)CCC1 ZINC000657878756 419401088 /nfs/dbraw/zinc/40/10/88/419401088.db2.gz IULZUMNEQJHTKD-AWEZNQCLSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOc1ccccc1CNC1CC(CF)(CF)C1 ZINC000657881704 419403403 /nfs/dbraw/zinc/40/34/03/419403403.db2.gz UWPYFZHHTAZNHG-UHFFFAOYSA-N 0 3 281.346 3.429 20 30 CGEDHN C=CCCC1(CNC(=O)C2(NC3CC3)CCC2)CCCC1 ZINC000662851361 419499100 /nfs/dbraw/zinc/49/91/00/419499100.db2.gz VMUSOPIAJUBPFL-UHFFFAOYSA-N 0 3 290.451 3.304 20 30 CGEDHN C=CCOCCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000658210144 419659909 /nfs/dbraw/zinc/65/99/09/419659909.db2.gz OVHWFQTWYHNZND-HNNXBMFYSA-N 0 3 279.355 3.222 20 30 CGEDHN C#CC[C@H](NCC[C@H](O)c1ccccc1)c1ccccc1 ZINC000298716726 260161652 /nfs/dbraw/zinc/16/16/52/260161652.db2.gz AXSZABQUDRIWKE-OALUTQOASA-N 0 3 279.383 3.464 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090450834 260358924 /nfs/dbraw/zinc/35/89/24/260358924.db2.gz HLNQNGUTGWDIGO-CYBMUJFWSA-N 0 3 278.352 3.147 20 30 CGEDHN N#CCCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153278560 261076058 /nfs/dbraw/zinc/07/60/58/261076058.db2.gz ZWMWAXNEDSYWFG-UHFFFAOYSA-N 0 3 273.336 3.253 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccc(/C=C\C)cc2)CC1 ZINC000497421303 262158835 /nfs/dbraw/zinc/15/88/35/262158835.db2.gz VRZSTXQGUSNJMM-HYXAFXHYSA-N 0 3 299.418 3.492 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2Cn2cccn2)C1 ZINC000192625824 262206703 /nfs/dbraw/zinc/20/67/03/262206703.db2.gz KUXNUMUCJJNKSH-CRAIPNDOSA-N 0 3 294.402 3.103 20 30 CGEDHN COc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000192953361 262212910 /nfs/dbraw/zinc/21/29/10/262212910.db2.gz YHICMECWCMWQMH-HIFRSBDPSA-N 0 3 258.365 3.176 20 30 CGEDHN C=CCCOCCNCc1cccc2c1OC(C)(C)C2 ZINC000120863962 262238837 /nfs/dbraw/zinc/23/88/37/262238837.db2.gz OAWMHSMRPBLEIK-UHFFFAOYSA-N 0 3 275.392 3.082 20 30 CGEDHN N#CCC[C@H](NC[C@H]1CCC=CO1)c1ccccc1 ZINC000194523673 262239073 /nfs/dbraw/zinc/23/90/73/262239073.db2.gz WTHBZFDPKYVZPB-CVEARBPZSA-N 0 3 256.349 3.314 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000111260389 262258769 /nfs/dbraw/zinc/25/87/69/262258769.db2.gz GSJHTBZYNRTTAS-ZBFHGGJFSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000188379615 262292974 /nfs/dbraw/zinc/29/29/74/262292974.db2.gz SLEUQGDJUIVGTA-QAPCUYQASA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCOc1ccccc1CNC[C@](C)(OC)C1CC1 ZINC000336829799 262398601 /nfs/dbraw/zinc/39/86/01/262398601.db2.gz BACDQQRYPQZDPE-KRWDZBQOSA-N 0 3 275.392 3.156 20 30 CGEDHN Cc1ccc([C@H]2CCCN2CCOCCC#N)s1 ZINC000338998277 262578846 /nfs/dbraw/zinc/57/88/46/262578846.db2.gz GRVSJUQSGZQRMH-CYBMUJFWSA-N 0 3 264.394 3.124 20 30 CGEDHN Cc1cc(O)c(CN2CCC(C)(C#N)CC2)cc1C ZINC000272494824 263005396 /nfs/dbraw/zinc/00/53/96/263005396.db2.gz QLGMCIHSGPNVBF-UHFFFAOYSA-N 0 3 258.365 3.135 20 30 CGEDHN Cc1cc([O-])c(C[NH+]2CCC(C)(C#N)CC2)cc1C ZINC000272494824 263005397 /nfs/dbraw/zinc/00/53/97/263005397.db2.gz QLGMCIHSGPNVBF-UHFFFAOYSA-N 0 3 258.365 3.135 20 30 CGEDHN C[C@H](CN(C)CCC(C)(C)C#N)c1nccs1 ZINC000273058008 263011811 /nfs/dbraw/zinc/01/18/11/263011811.db2.gz LRFSIFMJGYCQSO-LLVKDONJSA-N 0 3 251.399 3.118 20 30 CGEDHN C[C@H](CCC#N)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000276310795 263035985 /nfs/dbraw/zinc/03/59/85/263035985.db2.gz MEHRDCHBDZZTIU-OAHLLOKOSA-N 0 3 289.398 3.026 20 30 CGEDHN N#CCCCCN1CCN(c2cncc3ccccc32)CC1 ZINC000276505047 263036941 /nfs/dbraw/zinc/03/69/41/263036941.db2.gz YMLICLOTPFTROM-UHFFFAOYSA-N 0 3 294.402 3.051 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000278724918 263050085 /nfs/dbraw/zinc/05/00/85/263050085.db2.gz VHPMDZPDBFRVKQ-DWQUBVKVSA-N 0 3 298.386 3.191 20 30 CGEDHN CN(Cc1ccc(OC(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278748620 263050326 /nfs/dbraw/zinc/05/03/26/263050326.db2.gz WVRYJHSKZMSOIQ-QWHCGFSZSA-N 0 3 280.318 3.412 20 30 CGEDHN CCOC(=O)c1oc2c(c1C)[C@@H](NCCCC#N)CCC2 ZINC000278760390 263050649 /nfs/dbraw/zinc/05/06/49/263050649.db2.gz OOFNCWISMXVXEL-LBPRGKRZSA-N 0 3 290.363 3.036 20 30 CGEDHN C#CC(C)(C)N(C)Cc1ccccc1C(C)(C)C#N ZINC000279305912 263054677 /nfs/dbraw/zinc/05/46/77/263054677.db2.gz QWVCROBSCRJZIX-UHFFFAOYSA-N 0 3 254.377 3.331 20 30 CGEDHN CN(CCCC1(C#N)CCOCC1)Cc1ccccc1F ZINC000282052145 263073917 /nfs/dbraw/zinc/07/39/17/263073917.db2.gz ROYMCFMLIBGQQZ-UHFFFAOYSA-N 0 3 290.382 3.358 20 30 CGEDHN COCCC[C@H](NCCCC#N)c1ccc(F)cc1 ZINC000282134123 263074400 /nfs/dbraw/zinc/07/44/00/263074400.db2.gz BONMRWFFIJFCAN-HNNXBMFYSA-N 0 3 264.344 3.187 20 30 CGEDHN C[C@@H](NCCCC(C)(C)C#N)c1c(F)cncc1F ZINC000285734033 263095434 /nfs/dbraw/zinc/09/54/34/263095434.db2.gz QADMGDXOLLGQOH-SNVBAGLBSA-N 0 3 267.323 3.340 20 30 CGEDHN COC[C@H](NCCCSCC#N)c1cccc(Cl)c1 ZINC000288891599 263106401 /nfs/dbraw/zinc/10/64/01/263106401.db2.gz RVKCIBDSZNNZFT-AWEZNQCLSA-N 0 3 298.839 3.264 20 30 CGEDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCOCCC#N)C1 ZINC000292837206 263135575 /nfs/dbraw/zinc/13/55/75/263135575.db2.gz PFEMHCJGZPPCCA-CJNGLKHVSA-N 0 3 276.355 3.139 20 30 CGEDHN CC/C=C/CNCc1ccc(N(C)CCC#N)cc1 ZINC000295115518 263172817 /nfs/dbraw/zinc/17/28/17/263172817.db2.gz VRKFXIJPCAHSEC-SNAWJCMRSA-N 0 3 257.381 3.092 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cn1 ZINC000296465908 263191887 /nfs/dbraw/zinc/19/18/87/263191887.db2.gz NMWFHNMOYCKGSU-GVXVVHGQSA-N 0 3 263.772 3.468 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1cccnc1Cl ZINC000296584754 263193885 /nfs/dbraw/zinc/19/38/85/263193885.db2.gz UPLSJESSVKGCNN-SRVKXCTJSA-N 0 3 263.772 3.468 20 30 CGEDHN C[C@H](CCC#N)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000297919805 263212025 /nfs/dbraw/zinc/21/20/25/263212025.db2.gz QIJPJMQNPQEKRG-PBHICJAKSA-N 0 3 272.392 3.124 20 30 CGEDHN CC[C@@H](N[C@@H](C)CCC#N)c1ccc(OC)c(OC)c1 ZINC000298670326 263223668 /nfs/dbraw/zinc/22/36/68/263223668.db2.gz YMKJGAQNODSLHE-GXTWGEPZSA-N 0 3 276.380 3.437 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC(C2CCC2)C1 ZINC000341336058 263332439 /nfs/dbraw/zinc/33/24/39/263332439.db2.gz JCXWTHUZCLVFCO-INIZCTEOSA-N 0 3 282.387 3.017 20 30 CGEDHN CC(C)(C#N)CCN(Cc1ccccc1)CC1(CO)CC1 ZINC000341976875 263368640 /nfs/dbraw/zinc/36/86/40/263368640.db2.gz UGWGKBWXWPBZMK-UHFFFAOYSA-N 0 3 286.419 3.201 20 30 CGEDHN C=C1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000341998735 263373927 /nfs/dbraw/zinc/37/39/27/263373927.db2.gz VHUGKQPMNYNSMT-GOSISDBHSA-N 0 3 298.430 3.222 20 30 CGEDHN CCc1ccccc1CN1CCC(C#N)(COC)CC1 ZINC000341989523 263381250 /nfs/dbraw/zinc/38/12/50/263381250.db2.gz LRGVQTDQTKGZSV-UHFFFAOYSA-N 0 3 272.392 3.001 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C3CC3)cc2F)C1 ZINC000425961468 264227215 /nfs/dbraw/zinc/22/72/15/264227215.db2.gz SWUKRPWPIHIRAV-XHDPSFHLSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCC[C@@H](O)CN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000129528910 264323198 /nfs/dbraw/zinc/32/31/98/264323198.db2.gz VGHOFARZSGAICO-UAGQMJEPSA-N 0 3 291.460 3.492 20 30 CGEDHN C=CCN1CCC(NC(=O)/C=C/c2cc(C)cc(C)c2)CC1 ZINC000181256146 264443258 /nfs/dbraw/zinc/44/32/58/264443258.db2.gz LFTIIKUULFANMD-AATRIKPKSA-N 0 3 298.430 3.083 20 30 CGEDHN C=CCC[C@@H](NCCNC(=O)OC(C)(C)C)c1ccco1 ZINC000286292725 264572798 /nfs/dbraw/zinc/57/27/98/264572798.db2.gz WHELSKMDXSQGLS-CYBMUJFWSA-N 0 3 294.395 3.401 20 30 CGEDHN Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1cccc(C#N)c1 ZINC000191572955 270075174 /nfs/dbraw/zinc/07/51/74/270075174.db2.gz GOMGUCREWDYSIR-KXBFYZLASA-N 0 3 294.398 3.121 20 30 CGEDHN C=CCN(Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000357548724 266319475 /nfs/dbraw/zinc/31/94/75/266319475.db2.gz ANUJZZHWGWZHFQ-UHFFFAOYSA-N 0 3 253.292 3.438 20 30 CGEDHN C=CCN(CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000357554968 266324052 /nfs/dbraw/zinc/32/40/52/266324052.db2.gz RMHQSDLBOXWYIL-UHFFFAOYSA-N 0 3 276.336 3.014 20 30 CGEDHN CC[C@@H]1C[C@H](C)CN1Cc1cc(C#N)ccc1OC ZINC000399742143 266385531 /nfs/dbraw/zinc/38/55/31/266385531.db2.gz JJRKYACRWMRNDG-SWLSCSKDSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCC[C@H](O)CN1CCC(c2c(F)cccc2F)CC1 ZINC000362578427 267009928 /nfs/dbraw/zinc/00/99/28/267009928.db2.gz DUWAZESUEBQIEE-AWEZNQCLSA-N 0 3 295.373 3.471 20 30 CGEDHN C#Cc1ccc(CNCc2ccccc2-n2ccnc2)cc1 ZINC000368019689 267135046 /nfs/dbraw/zinc/13/50/46/267135046.db2.gz SSUKRCHKTKTHTD-UHFFFAOYSA-N 0 3 287.366 3.143 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000368625702 267191782 /nfs/dbraw/zinc/19/17/82/267191782.db2.gz QRXCOJBVIBTWFQ-IAGOWNOFSA-N 0 3 285.435 3.321 20 30 CGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C#N)cc1 ZINC000424332934 267196395 /nfs/dbraw/zinc/19/63/95/267196395.db2.gz TYZAGDOEFIXFOE-NUEKZKHPSA-N 0 3 253.349 3.291 20 30 CGEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000120108344 267382245 /nfs/dbraw/zinc/38/22/45/267382245.db2.gz ORXQJYIZYZGZHR-HUUCEWRRSA-N 0 3 266.429 3.064 20 30 CGEDHN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000532344323 270215779 /nfs/dbraw/zinc/21/57/79/270215779.db2.gz ZTSVULAPVFBZCQ-AWEZNQCLSA-N 0 3 298.361 3.080 20 30 CGEDHN C[C@@H]1CC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000453637889 274317123 /nfs/dbraw/zinc/31/71/23/274317123.db2.gz YZPWSKRATGFVJO-ZWNOBZJWSA-N 0 3 298.308 3.234 20 30 CGEDHN CC(C)C[C@@H](CN1CCCC1)Nc1ncc(C#N)cc1F ZINC000413329761 277439710 /nfs/dbraw/zinc/43/97/10/277439710.db2.gz OMRNDFSNVGXHEX-AWEZNQCLSA-N 0 3 290.386 3.015 20 30 CGEDHN C[C@H](O)CN(Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000170691159 278289163 /nfs/dbraw/zinc/28/91/63/278289163.db2.gz NXRDPZFHTAFSQT-ZDUSSCGKSA-N 0 3 290.382 3.213 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2c1cnn2C)c1cccc(C#N)c1 ZINC000037304892 278382916 /nfs/dbraw/zinc/38/29/16/278382916.db2.gz CWLQLGBRZXGXGS-WBMJQRKESA-N 0 3 280.375 3.020 20 30 CGEDHN C[C@@H](N[C@H]1COc2ccccc2C1)c1cccc(C#N)c1 ZINC000181622289 278389009 /nfs/dbraw/zinc/38/90/09/278389009.db2.gz QJUFOODMKTXFJI-CXAGYDPISA-N 0 3 278.355 3.213 20 30 CGEDHN C[C@@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCCOC1 ZINC000356438122 279172150 /nfs/dbraw/zinc/17/21/50/279172150.db2.gz MFDYUMNULYEOFW-CQSZACIVSA-N 0 3 298.308 3.236 20 30 CGEDHN Cc1cc(C#N)cc(N[C@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC000357690080 280315531 /nfs/dbraw/zinc/31/55/31/280315531.db2.gz YSNZQWBWHIGJPU-RDTXWAMCSA-N 0 3 294.402 3.365 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CCN([C@@H]3C=CCCCCC3)C2)nc1 ZINC000550105613 289066885 /nfs/dbraw/zinc/06/68/85/289066885.db2.gz NZUJKWCJIFVXHL-IAGOWNOFSA-N 0 3 297.402 3.295 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(Br)s1 ZINC000378746999 327755263 /nfs/dbraw/zinc/75/52/63/327755263.db2.gz RUXDBCVNHXXBQO-VIFPVBQESA-N 0 3 290.226 3.364 20 30 CGEDHN COC(C)(C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000531575811 328018875 /nfs/dbraw/zinc/01/88/75/328018875.db2.gz AZIFREDDQIVTHY-UHFFFAOYSA-N 0 3 265.784 3.048 20 30 CGEDHN CC#CCCN(C)Cc1ccc(OC)c(Cl)c1 ZINC000412040616 328102019 /nfs/dbraw/zinc/10/20/19/328102019.db2.gz LTNUSENNZZMXIR-UHFFFAOYSA-N 0 3 251.757 3.194 20 30 CGEDHN CC[C@@H](CC#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412253370 328106909 /nfs/dbraw/zinc/10/69/09/328106909.db2.gz RIHHVFPNAXGASY-KRWDZBQOSA-N 0 3 299.418 3.095 20 30 CGEDHN C=CC[C@H]1N(Cc2ccc(C)nn2)CCCC1(C)C ZINC000414444191 328171565 /nfs/dbraw/zinc/17/15/65/328171565.db2.gz KBVBRAALSIDSIK-OAHLLOKOSA-N 0 3 259.397 3.352 20 30 CGEDHN C[C@H](NCCCC#N)c1ccccc1OC(F)F ZINC000271841284 328197885 /nfs/dbraw/zinc/19/78/85/328197885.db2.gz YOPWFCIDSJXZHG-JTQLQIEISA-N 0 3 254.280 3.242 20 30 CGEDHN N#CCCCNCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000273083126 328203732 /nfs/dbraw/zinc/20/37/32/328203732.db2.gz RCDVCDCDXXJGOW-UHFFFAOYSA-N 0 3 274.755 3.123 20 30 CGEDHN COc1ccccc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000274209262 328209448 /nfs/dbraw/zinc/20/94/48/328209448.db2.gz NHEPNKSHXNHUPJ-BFHYXJOUSA-N 0 3 258.365 3.428 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000274389225 328211008 /nfs/dbraw/zinc/21/10/08/328211008.db2.gz ASIWJCMGOBSHKK-JBLDHEPKSA-N 0 3 250.292 3.308 20 30 CGEDHN COc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1C ZINC000278623627 328228699 /nfs/dbraw/zinc/22/86/99/328228699.db2.gz NOAGFWHRAJDEAI-ZFWWWQNUSA-N 0 3 258.365 3.128 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000282226312 328241660 /nfs/dbraw/zinc/24/16/60/328241660.db2.gz IHLZLTFBRBGHJR-IPOQPSJVSA-N 0 3 290.794 3.452 20 30 CGEDHN CCC[C@H]1[C@H](C)CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564211505 322023205 /nfs/dbraw/zinc/02/32/05/322023205.db2.gz KWKBRNGTWBKWOJ-CJNGLKHVSA-N 0 3 297.406 3.002 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000565895329 322095926 /nfs/dbraw/zinc/09/59/26/322095926.db2.gz RTJWHPAKVJRTIP-LLVKDONJSA-N 0 3 273.336 3.087 20 30 CGEDHN CC(C)C[C@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000567415758 322162540 /nfs/dbraw/zinc/16/25/40/322162540.db2.gz PYDCHLGWTTWWMW-AWEZNQCLSA-N 0 3 289.398 3.254 20 30 CGEDHN C[C@@H](NCCN1CC[C@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235642 322268432 /nfs/dbraw/zinc/26/84/32/322268432.db2.gz LJVSWECJLVNXFR-QWHCGFSZSA-N 0 3 291.826 3.204 20 30 CGEDHN CC[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570283045 322269770 /nfs/dbraw/zinc/26/97/70/322269770.db2.gz KENGQCJIIKMUTC-JSGCOSHPSA-N 0 3 273.336 3.135 20 30 CGEDHN C[C@@H]1CCC[C@H](C)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571807579 322308379 /nfs/dbraw/zinc/30/83/79/322308379.db2.gz YIMLSRXHAOMSMY-QWHCGFSZSA-N 0 3 287.363 3.477 20 30 CGEDHN C=CCN1CCC(n2c3ccccc3nc2CC)CC1 ZINC000093299910 328509787 /nfs/dbraw/zinc/50/97/87/328509787.db2.gz LGUAXOIABVCTKL-UHFFFAOYSA-N 0 3 269.392 3.422 20 30 CGEDHN C=CCOCCCN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451405248 331027929 /nfs/dbraw/zinc/02/79/29/331027929.db2.gz HSIFHBXJHQXGQD-NEPJUHHUSA-N 0 3 265.319 3.242 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(OC)c(F)c1 ZINC000090884012 327101655 /nfs/dbraw/zinc/10/16/55/327101655.db2.gz IQPHYZYVXIHIBH-GFCCVEGCSA-N 0 3 267.344 3.078 20 30 CGEDHN COc1ccc(Cl)cc1CN(C)CCCSCC#N ZINC000074980423 327122496 /nfs/dbraw/zinc/12/24/96/327122496.db2.gz YYKVEUACLVRWHC-UHFFFAOYSA-N 0 3 298.839 3.427 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152803215 327297820 /nfs/dbraw/zinc/29/78/20/327297820.db2.gz AKSZQEIVFKTHIK-WBVHZDCISA-N 0 3 289.806 3.192 20 30 CGEDHN CCO[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)C12CCCCC2 ZINC000560405223 327305022 /nfs/dbraw/zinc/30/50/22/327305022.db2.gz IRMJAUUADVELOF-BZUAXINKSA-N 0 3 289.423 3.147 20 30 CGEDHN CCC[C@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000560828244 327346170 /nfs/dbraw/zinc/34/61/70/327346170.db2.gz BQCFZGZZAAIGIK-QGZVFWFLSA-N 0 3 299.418 3.095 20 30 CGEDHN C=C(C)[C@H](N[C@@H]1CCO[C@H]1C)c1ccc(F)c(F)c1 ZINC000248563396 327499632 /nfs/dbraw/zinc/49/96/32/327499632.db2.gz NVTHUKAGYBNCPI-VQISRLSMSA-N 0 3 267.319 3.349 20 30 CGEDHN N#CCc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000526083810 328609485 /nfs/dbraw/zinc/60/94/85/328609485.db2.gz FZTGFNGGHSRALN-GOSISDBHSA-N 0 3 277.371 3.389 20 30 CGEDHN C=CCSCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000358015716 328880810 /nfs/dbraw/zinc/88/08/10/328880810.db2.gz FTAMPCXKPQZEIK-CYBMUJFWSA-N 0 3 269.360 3.461 20 30 CGEDHN C=CCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000175225001 329166443 /nfs/dbraw/zinc/16/64/43/329166443.db2.gz WPLYNVKEBTVVLG-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CCSCCNCc1c[nH]nc1-c1cccs1 ZINC000222058803 329219951 /nfs/dbraw/zinc/21/99/51/329219951.db2.gz UEULGCFCQKWCDF-UHFFFAOYSA-N 0 3 279.434 3.147 20 30 CGEDHN CO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000185848071 329333439 /nfs/dbraw/zinc/33/34/39/329333439.db2.gz YNQWOLUKTUPRFG-APHBMKBZSA-N 0 3 276.355 3.185 20 30 CGEDHN C=C(C)[C@@H](NC[C@@](C)(O)CC)c1ccc(F)c(F)c1 ZINC000189237848 329376969 /nfs/dbraw/zinc/37/69/69/329376969.db2.gz FKEKLWVWMCXVIN-CABCVRRESA-N 0 3 269.335 3.333 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000152511613 329675144 /nfs/dbraw/zinc/67/51/44/329675144.db2.gz VLUNZGKLJOVIGF-CQSZACIVSA-N 0 3 299.336 3.283 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000248931546 329902675 /nfs/dbraw/zinc/90/26/75/329902675.db2.gz XVSVVNGNRYLVOY-SQWLQELKSA-N 0 3 295.390 3.000 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000421830568 330084473 /nfs/dbraw/zinc/08/44/73/330084473.db2.gz CBDWJEUOLOLDNV-SJKOYZFVSA-N 0 3 293.382 3.060 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(Cl)cc1OC ZINC000421848615 330095463 /nfs/dbraw/zinc/09/54/63/330095463.db2.gz AQAYPZRWPCAFOS-YPMHNXCESA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1CCN(C)C ZINC000275571830 330110538 /nfs/dbraw/zinc/11/05/38/330110538.db2.gz FRKKCAXKVDMMGW-CQSZACIVSA-N 0 3 274.408 3.332 20 30 CGEDHN C#CCOc1ccc([C@H](C)NC2CC(F)(F)C2)cc1 ZINC000277207925 330115560 /nfs/dbraw/zinc/11/55/60/330115560.db2.gz WGXQXWKDCXTSTO-NSHDSACASA-N 0 3 265.303 3.147 20 30 CGEDHN CCCCCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424064435 330219149 /nfs/dbraw/zinc/21/91/49/330219149.db2.gz KFHAOTLNBUALRO-INIZCTEOSA-N 0 3 287.407 3.379 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2c2ccc(C)cc2)nn1 ZINC000424290061 330334500 /nfs/dbraw/zinc/33/45/00/330334500.db2.gz AYEQADBVMXDNGP-MSOLQXFVSA-N 0 3 296.418 3.198 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424336700 330343504 /nfs/dbraw/zinc/34/35/04/330343504.db2.gz YKLKNDAWSSHWCW-OCVGTWLNSA-N 0 3 258.365 3.044 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000090451406 330392729 /nfs/dbraw/zinc/39/27/29/330392729.db2.gz MXFKSHZQGKRNEZ-CQSZACIVSA-N 0 3 293.407 3.256 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000090919482 330397162 /nfs/dbraw/zinc/39/71/62/330397162.db2.gz MPCSECYWAKHBNA-CQSZACIVSA-N 0 3 250.345 3.423 20 30 CGEDHN CC(C)CCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000429347749 330544112 /nfs/dbraw/zinc/54/41/12/330544112.db2.gz UQSZGXYRSOGDQW-GOSISDBHSA-N 0 3 285.435 3.305 20 30 CGEDHN C=CCCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000439990504 330745434 /nfs/dbraw/zinc/74/54/34/330745434.db2.gz PORWSVMGXUCYDA-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccccc2OC2CCC2)C1 ZINC000442875386 330789599 /nfs/dbraw/zinc/78/95/99/330789599.db2.gz TUYTWEYTFCFRNW-ZFWWWQNUSA-N 0 3 270.376 3.400 20 30 CGEDHN Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c(CN(C)C)c1 ZINC000442881711 330790275 /nfs/dbraw/zinc/79/02/75/330790275.db2.gz NOGXBMPSKXCWDM-ZFWWWQNUSA-N 0 3 257.381 3.161 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](CO)C(C)(C)C)cc1Cl ZINC000446841883 330856248 /nfs/dbraw/zinc/85/62/48/330856248.db2.gz BNBACGSXIZCKMT-HNNXBMFYSA-N 0 3 297.826 3.401 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000448921774 330888477 /nfs/dbraw/zinc/88/84/77/330888477.db2.gz OIUXJUAOJMSIOC-NVXWUHKLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCNCc1nc2cc(Cl)ccc2n1C ZINC000449473664 330928714 /nfs/dbraw/zinc/92/87/14/330928714.db2.gz ICIINTKAAUOPRQ-UHFFFAOYSA-N 0 3 263.772 3.283 20 30 CGEDHN C=CC(C)(C)CNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449486208 330929983 /nfs/dbraw/zinc/92/99/83/330929983.db2.gz QZVCZSOQWRELSE-UHFFFAOYSA-N 0 3 285.391 3.183 20 30 CGEDHN C=CCC1(CNCc2ccc(C(=O)OC)o2)CCCC1 ZINC000449606253 330939002 /nfs/dbraw/zinc/93/90/02/330939002.db2.gz QBPDMKUXCBRVST-UHFFFAOYSA-N 0 3 277.364 3.292 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(OCC=C)c(Cl)c1 ZINC000449701073 330944926 /nfs/dbraw/zinc/94/49/26/330944926.db2.gz VVZNQVTVJSNZJM-CQSZACIVSA-N 0 3 295.810 3.322 20 30 CGEDHN C=CCN1CC[C@H](N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)C1=O ZINC000451180366 331018998 /nfs/dbraw/zinc/01/89/98/331018998.db2.gz GCXKQFVGUMXVJS-AHCXZYCDSA-N 0 3 298.430 3.040 20 30 CGEDHN C=CCN1CC[C@H](N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)C1=O ZINC000451180368 331019061 /nfs/dbraw/zinc/01/90/61/331019061.db2.gz GCXKQFVGUMXVJS-FZCLSBEQSA-N 0 3 298.430 3.040 20 30 CGEDHN C=CCN1CC[C@H](N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)C1=O ZINC000451180369 331019138 /nfs/dbraw/zinc/01/91/38/331019138.db2.gz GCXKQFVGUMXVJS-LMSBXDPUSA-N 0 3 298.430 3.040 20 30 CGEDHN C=CCCCCCNC(C)(C)c1nnc2n1CCCC2 ZINC000451408159 331028127 /nfs/dbraw/zinc/02/81/27/331028127.db2.gz YWBMQZCTDSVOHH-UHFFFAOYSA-N 0 3 276.428 3.186 20 30 CGEDHN CC#CCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543503 331033488 /nfs/dbraw/zinc/03/34/88/331033488.db2.gz CCJAFBURAKGRGZ-OAHLLOKOSA-N 0 3 272.348 3.188 20 30 CGEDHN C=C(C)CN[C@H](c1cccs1)C1(CO)CCC1 ZINC000452060206 331052423 /nfs/dbraw/zinc/05/24/23/331052423.db2.gz LXZZLWOCSKMSGU-CYBMUJFWSA-N 0 3 251.395 3.118 20 30 CGEDHN C=C(C)CCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000452726677 331074455 /nfs/dbraw/zinc/07/44/55/331074455.db2.gz VYOHVYYEXXRYMH-UHFFFAOYSA-N 0 3 286.419 3.367 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453144185 331093923 /nfs/dbraw/zinc/09/39/23/331093923.db2.gz QDVAGFLFRBQEJC-QWHCGFSZSA-N 0 3 255.365 3.312 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2c1cccc2F ZINC000453332451 331117883 /nfs/dbraw/zinc/11/78/83/331117883.db2.gz CLIVCSMGNNRPLR-XHSDSOJGSA-N 0 3 261.340 3.136 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1ccccc1OC ZINC000453334569 331118208 /nfs/dbraw/zinc/11/82/08/331118208.db2.gz DYYZQPZEJRDZPE-XHSDSOJGSA-N 0 3 275.392 3.470 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc2ccccc2n1 ZINC000453339139 331118906 /nfs/dbraw/zinc/11/89/06/331118906.db2.gz CUXZYIAVNPLGGW-HIFRSBDPSA-N 0 3 270.376 3.213 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Cl)cn1 ZINC000453361130 331122464 /nfs/dbraw/zinc/12/24/64/331122464.db2.gz QJXYERIWVWZRCV-GDLCADMTSA-N 0 3 266.772 3.119 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000453379976 331125621 /nfs/dbraw/zinc/12/56/21/331125621.db2.gz ZGGYDHDEZIXLPO-MJEQTWJJSA-N 0 3 292.398 3.276 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1sc(CCOC)nc1C ZINC000453380618 331125688 /nfs/dbraw/zinc/12/56/88/331125688.db2.gz WSKVLYPNCUORAX-NSHDSACASA-N 0 3 268.426 3.257 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458225127 331245624 /nfs/dbraw/zinc/24/56/24/331245624.db2.gz OTKYFWKPOLYTBC-CQSZACIVSA-N 0 3 294.464 3.241 20 30 CGEDHN C=CC(C)(C)CNC(=O)N(CCC)CCN1CCCCC1 ZINC000458987270 331264232 /nfs/dbraw/zinc/26/42/32/331264232.db2.gz LTWFQOFHGUSCSZ-UHFFFAOYSA-N 0 3 295.471 3.106 20 30 CGEDHN C=CCOc1cccc(CNCC(C)(C)CC#N)c1 ZINC000459705248 331295211 /nfs/dbraw/zinc/29/52/11/331295211.db2.gz XZHMNQLUZOLECR-UHFFFAOYSA-N 0 3 258.365 3.281 20 30 CGEDHN CC(C)Cc1ncc(CNCC(C)(C)CC#N)s1 ZINC000459738774 331297218 /nfs/dbraw/zinc/29/72/18/331297218.db2.gz XYNQZEVASSBTEC-UHFFFAOYSA-N 0 3 265.426 3.371 20 30 CGEDHN CC#CCCNCc1c(OC)ccc2ccccc21 ZINC000166300100 331307089 /nfs/dbraw/zinc/30/70/89/331307089.db2.gz ZEDSMQSVLNKUDK-UHFFFAOYSA-N 0 3 253.345 3.351 20 30 CGEDHN CC#CCCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000462321337 331319552 /nfs/dbraw/zinc/31/95/52/331319552.db2.gz VDGPWYSLMBCWLZ-UHFFFAOYSA-N 0 3 290.838 3.261 20 30 CGEDHN C=C[C@@H]1CCCCN1CCc1nc2ccccc2n1C ZINC000489461264 332053881 /nfs/dbraw/zinc/05/38/81/332053881.db2.gz ILFVKZSFNVEMBD-CQSZACIVSA-N 0 3 269.392 3.156 20 30 CGEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C1(C)CCCC1 ZINC000489842663 332069898 /nfs/dbraw/zinc/06/98/98/332069898.db2.gz LTYRIJSYQXUJIY-UHFFFAOYSA-N 0 3 299.418 3.198 20 30 CGEDHN C=CCC(C)(C)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000489958044 332074463 /nfs/dbraw/zinc/07/44/63/332074463.db2.gz RLAZKWNSKJOLNL-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C#CCN(Cc1c[nH]nc1-c1cccnc1)C1CCCCC1 ZINC000490875773 332124143 /nfs/dbraw/zinc/12/41/43/332124143.db2.gz RXLWNPLGFUAGPX-UHFFFAOYSA-N 0 3 294.402 3.240 20 30 CGEDHN C#C[C@@H](N[C@@H](C)C1CCOCC1)c1ccc(Cl)cc1 ZINC000491232132 332171371 /nfs/dbraw/zinc/17/13/71/332171371.db2.gz YNWDVLRSVGEQPL-BLLLJJGKSA-N 0 3 277.795 3.419 20 30 CGEDHN C#CCN(Cc1ccccc1C(=O)N(C)C)C1CCCCC1 ZINC000491656014 332268025 /nfs/dbraw/zinc/26/80/25/332268025.db2.gz ICGVOAMWSDSTKO-UHFFFAOYSA-N 0 3 298.430 3.156 20 30 CGEDHN FC(F)O[C@@H]1CCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000503516127 332691107 /nfs/dbraw/zinc/69/11/07/332691107.db2.gz JWRVVCROHYXUHF-ZIAGYGMSSA-N 0 3 299.748 3.441 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C[C@H](C)CC)CC1 ZINC000176499838 333042514 /nfs/dbraw/zinc/04/25/14/333042514.db2.gz SJEINKPSQOYNAX-HUUCEWRRSA-N 0 3 295.471 3.151 20 30 CGEDHN CC(C)(C#N)CCCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000312218594 333078454 /nfs/dbraw/zinc/07/84/54/333078454.db2.gz CZXKYIZEFPTFCZ-ZDUSSCGKSA-N 0 3 292.345 3.096 20 30 CGEDHN C=CCCCCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000517682661 333105584 /nfs/dbraw/zinc/10/55/84/333105584.db2.gz WNSVQISPAKZQCP-ZDUSSCGKSA-N 0 3 279.346 3.368 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000186367289 333159562 /nfs/dbraw/zinc/15/95/62/333159562.db2.gz HZDCPFGCIWMBMX-ROUUACIJSA-N 0 3 289.394 3.361 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)CCC)C1 ZINC000193327586 333247969 /nfs/dbraw/zinc/24/79/69/333247969.db2.gz STSNCGXVYNWVJV-OAHLLOKOSA-N 0 3 266.429 3.114 20 30 CGEDHN CC#CCCNCc1cccc(OC(F)(F)F)c1 ZINC000226745937 333268476 /nfs/dbraw/zinc/26/84/76/333268476.db2.gz QHDFEYVNDLYBKL-UHFFFAOYSA-N 0 3 257.255 3.088 20 30 CGEDHN CC1(C#N)CCN(CCCOc2ccccc2)CC1 ZINC000227352990 333281607 /nfs/dbraw/zinc/28/16/07/333281607.db2.gz ARRXYERZJZJIAJ-UHFFFAOYSA-N 0 3 258.365 3.081 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](OC)C1(C)C ZINC000227827074 333288897 /nfs/dbraw/zinc/28/88/97/333288897.db2.gz TZXVYPRMRYPAFP-HZPDHXFCSA-N 0 3 275.392 3.155 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1C[C@H](OC)C1(C)C ZINC000227827089 333288918 /nfs/dbraw/zinc/28/89/18/333288918.db2.gz TZXVYPRMRYPAFP-HOTGVXAUSA-N 0 3 275.392 3.155 20 30 CGEDHN CSC1(CNC2CC(C#N)(c3ccccc3)C2)CC1 ZINC000228020884 333292619 /nfs/dbraw/zinc/29/26/19/333292619.db2.gz QJTAGGHEZLEDJW-UHFFFAOYSA-N 0 3 272.417 3.096 20 30 CGEDHN Cc1nc(CNCC(C)(C)CCC#N)sc1C ZINC000174434089 335154637 /nfs/dbraw/zinc/15/46/37/335154637.db2.gz URFUGUQXRLTTMU-UHFFFAOYSA-N 0 3 251.399 3.180 20 30 CGEDHN Cc1cc(C)cc(C[C@H](C)NCc2ccc(C#N)o2)c1 ZINC000174582090 335159514 /nfs/dbraw/zinc/15/95/14/335159514.db2.gz IMLZAFBHAFTASN-AWEZNQCLSA-N 0 3 268.360 3.489 20 30 CGEDHN C=CCCCCCNCc1cn(C)nc1C(F)F ZINC000576172400 335165071 /nfs/dbraw/zinc/16/50/71/335165071.db2.gz LKZVKPSOXNBNPD-UHFFFAOYSA-N 0 3 257.328 3.194 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(F)cc1F ZINC000576182721 335166240 /nfs/dbraw/zinc/16/62/40/335166240.db2.gz GRVRJLISNWDXKI-DOMZBBRYSA-N 0 3 267.319 3.036 20 30 CGEDHN CC[C@H](NCC#Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000544455094 333932240 /nfs/dbraw/zinc/93/22/40/333932240.db2.gz NSAPQLMEJFNWSS-JKSUJKDBSA-N 0 3 277.795 3.239 20 30 CGEDHN Cc1cccnc1[C@@H]1CCC[C@@H](NC[C@H](C)C#N)C1 ZINC000545984814 334010555 /nfs/dbraw/zinc/01/05/55/334010555.db2.gz XCFNMDLNBREFON-BPLDGKMQSA-N 0 3 257.381 3.166 20 30 CGEDHN C=C(C)COCCNCc1c(C)nn(-c2ccccc2)c1C ZINC000134502654 334092352 /nfs/dbraw/zinc/09/23/52/334092352.db2.gz ULRBTBCNTARIPU-UHFFFAOYSA-N 0 3 299.418 3.171 20 30 CGEDHN CS[C@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000134551580 334095069 /nfs/dbraw/zinc/09/50/69/334095069.db2.gz UDBXFOZSUFRNGN-INIZCTEOSA-N 0 3 277.408 3.395 20 30 CGEDHN C=CCOCCN1CCC(OCC2CCCCC2)CC1 ZINC000549465650 334194618 /nfs/dbraw/zinc/19/46/18/334194618.db2.gz UAOSNVSRPPYTOH-UHFFFAOYSA-N 0 3 281.440 3.250 20 30 CGEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576706808 335237997 /nfs/dbraw/zinc/23/79/97/335237997.db2.gz AHAIDSOFHQBEND-FZMZJTMJSA-N 0 3 273.336 3.087 20 30 CGEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576758718 335244449 /nfs/dbraw/zinc/24/44/49/335244449.db2.gz DUPGLAZBFFGRHT-WFASDCNBSA-N 0 3 287.363 3.477 20 30 CGEDHN CC(C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000577653848 335386505 /nfs/dbraw/zinc/38/65/05/335386505.db2.gz VURRZJXLZOFKNM-DMRZNYOFSA-N 0 3 268.360 3.083 20 30 CGEDHN C=CCN(C)Cc1ccc(F)c(Br)c1 ZINC000194969017 336041285 /nfs/dbraw/zinc/04/12/85/336041285.db2.gz JLRDZNPGTFSUHZ-UHFFFAOYSA-N 0 3 258.134 3.206 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(Br)cc1 ZINC000194999920 336042396 /nfs/dbraw/zinc/04/23/96/336042396.db2.gz DVXFLHKFJXRLAH-UHFFFAOYSA-N 0 3 284.197 3.084 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1nc(C)c(C)[nH]1 ZINC000581559485 336103187 /nfs/dbraw/zinc/10/31/87/336103187.db2.gz AVUVBILCTMFSNX-INIZCTEOSA-N 0 3 269.392 3.304 20 30 CGEDHN C[C@@H](CSc1cccc(Cl)c1C#N)N(C)C ZINC000358801718 534195878 /nfs/dbraw/zinc/19/58/78/534195878.db2.gz NETPLVPPSGOQSD-VIFPVBQESA-N 0 3 254.786 3.254 20 30 CGEDHN CCc1ccccc1CNCc1ccc(OC)c(C#N)c1 ZINC000087824465 521839696 /nfs/dbraw/zinc/83/96/96/521839696.db2.gz VBFUKGPYAUVWQE-UHFFFAOYSA-N 0 3 280.371 3.419 20 30 CGEDHN CN(CCNc1ccc(C(F)(F)F)c(C#N)c1)C1CC1 ZINC000163995686 522869824 /nfs/dbraw/zinc/86/98/24/522869824.db2.gz JYVXSZCUTXPXAZ-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(C)s2)cc1 ZINC000113323324 527104713 /nfs/dbraw/zinc/10/47/13/527104713.db2.gz OTBXPDTXMIEOOW-UHFFFAOYSA-N 0 3 271.385 3.358 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@H]1CCCc2cn(CCOC)nc21 ZINC000355033399 527141805 /nfs/dbraw/zinc/14/18/05/527141805.db2.gz JLNJVKLMMQXXPR-DZKIICNBSA-N 0 3 291.439 3.097 20 30 CGEDHN C=CCCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347359582 527196737 /nfs/dbraw/zinc/19/67/37/527196737.db2.gz WIFCHVGHWVNHJW-LSDHHAIUSA-N 0 3 277.433 3.453 20 30 CGEDHN C=CCCOCCN[C@@H](c1ccc(F)cn1)C(C)C ZINC000354037265 527367808 /nfs/dbraw/zinc/36/78/08/527367808.db2.gz CPDFVSHSNBVLSY-OAHLLOKOSA-N 0 3 266.360 3.100 20 30 CGEDHN C=CCC[C@H](NCCC(=O)NC(C)(C)C)c1ccco1 ZINC000353389138 527483471 /nfs/dbraw/zinc/48/34/71/527483471.db2.gz SYEIVKBYZAAGFO-ZDUSSCGKSA-N 0 3 278.396 3.181 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCN(C2CC2)C1)c1ccco1 ZINC000353513958 527487426 /nfs/dbraw/zinc/48/74/26/527487426.db2.gz GGFNPDVPHMQZAX-HIFRSBDPSA-N 0 3 260.381 3.113 20 30 CGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000404582258 527943035 /nfs/dbraw/zinc/94/30/35/527943035.db2.gz HFKHFLQODLFENV-JKSUJKDBSA-N 0 3 288.366 3.135 20 30 CGEDHN CC(C)COCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425538069 528095131 /nfs/dbraw/zinc/09/51/31/528095131.db2.gz RFANMDDUKAVKHX-CQSZACIVSA-N 0 3 260.381 3.224 20 30 CGEDHN CCC[C@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000344546327 528198556 /nfs/dbraw/zinc/19/85/56/528198556.db2.gz ICNCJNMOEPBJJA-RNCFNFMXSA-N 0 3 266.291 3.082 20 30 CGEDHN CCOCCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358560564 528656218 /nfs/dbraw/zinc/65/62/18/528656218.db2.gz FEFPIUJVLLXYES-LBPRGKRZSA-N 0 3 264.344 3.165 20 30 CGEDHN CS[C@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000728765169 571818268 /nfs/dbraw/zinc/81/82/68/571818268.db2.gz ZVKBTYUXQGMXNO-BDAKNGLRSA-N 0 3 276.386 3.224 20 30 CGEDHN C=CC1CC[NH+](Cc2cc3c(cc2[O-])CCC3)CC1 ZINC000732181124 572450762 /nfs/dbraw/zinc/45/07/62/572450762.db2.gz KVQVORUOZQCNAH-UHFFFAOYSA-N 0 3 257.377 3.279 20 30 CGEDHN C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000732408454 572463477 /nfs/dbraw/zinc/46/34/77/572463477.db2.gz AOYIWIFZJAWODI-CYBMUJFWSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000732408454 572463481 /nfs/dbraw/zinc/46/34/81/572463481.db2.gz AOYIWIFZJAWODI-CYBMUJFWSA-N 0 3 275.392 3.361 20 30 CGEDHN C[C@@H]1CC(N=Nc2cccc3ncccc23)CCN1C ZINC000741459777 572499618 /nfs/dbraw/zinc/49/96/18/572499618.db2.gz HOUYSUKORKLVJF-GFCCVEGCSA-N 0 3 268.364 3.117 20 30 CGEDHN C#CCOc1ccc(CNCCOc2ccccc2F)cc1 ZINC000733323216 572555430 /nfs/dbraw/zinc/55/54/30/572555430.db2.gz QCAIWLQIIJAPAR-UHFFFAOYSA-N 0 3 299.345 3.006 20 30 CGEDHN Cc1ccccc1[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000741781987 572615448 /nfs/dbraw/zinc/61/54/48/572615448.db2.gz WIBKVXLLZLQFGF-GOSISDBHSA-N 0 3 280.371 3.032 20 30 CGEDHN C#CCN(C(=O)[C@@H](C)N1CCCCCC1)C1CCCCC1 ZINC000733926945 572619654 /nfs/dbraw/zinc/61/96/54/572619654.db2.gz IWTAXXXHZHBUOW-MRXNPFEDSA-N 0 3 290.451 3.045 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CCOC2CCC2)c([O-])c1 ZINC000743044216 572635752 /nfs/dbraw/zinc/63/57/52/572635752.db2.gz HAXZQXCAKHGBRK-AQTBWJFISA-N 0 3 290.407 3.226 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCC2CC2)c([O-])c1 ZINC000743044092 572635763 /nfs/dbraw/zinc/63/57/63/572635763.db2.gz DXRVCLWMTNHNDY-SFQUDFHCSA-N 0 3 260.381 3.457 20 30 CGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000735208229 572709060 /nfs/dbraw/zinc/70/90/60/572709060.db2.gz KWSKYFFDYABLMB-KSHIFHCESA-N 0 3 290.750 3.344 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=CC2CCCCC2)nc(C)n1 ZINC000735592609 572731172 /nfs/dbraw/zinc/73/11/72/572731172.db2.gz BZBJEUUNGCGZJQ-WHLNPGIBSA-N 0 3 283.375 3.406 20 30 CGEDHN N#CC(C(=O)C=CC1CCCCC1)C(=O)Nc1ccccc1 ZINC000735594325 572731291 /nfs/dbraw/zinc/73/12/91/572731291.db2.gz XKCXNKHUVCMTJX-JNSOCZORSA-N 0 3 296.370 3.470 20 30 CGEDHN c1cncc(CON=C2CCCC[C@H]2N2CCCCC2)c1 ZINC000746586344 572882594 /nfs/dbraw/zinc/88/25/94/572882594.db2.gz WMJWYPDIRLJJFZ-QGZVFWFLSA-N 0 3 287.407 3.383 20 30 CGEDHN C=CCCCC(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000748305310 572973111 /nfs/dbraw/zinc/97/31/11/572973111.db2.gz ZRMHDTSSLGEIOZ-UHFFFAOYSA-N 0 3 274.408 3.063 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CC(C)C ZINC000823915319 608870972 /nfs/dbraw/zinc/87/09/72/608870972.db2.gz UPCSBBQRPDQULR-AWEZNQCLSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CC(C)C ZINC000823915319 608870973 /nfs/dbraw/zinc/87/09/73/608870973.db2.gz UPCSBBQRPDQULR-AWEZNQCLSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CC(C)C ZINC000823915319 608870974 /nfs/dbraw/zinc/87/09/74/608870974.db2.gz UPCSBBQRPDQULR-AWEZNQCLSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CC(C)C ZINC000823915319 608870975 /nfs/dbraw/zinc/87/09/75/608870975.db2.gz UPCSBBQRPDQULR-AWEZNQCLSA-N 0 3 299.422 3.289 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841308 613326000 /nfs/dbraw/zinc/32/60/00/613326000.db2.gz YWSHTSBBPFYXPD-NVXWUHKLSA-N 0 3 286.419 3.011 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964770919 613333940 /nfs/dbraw/zinc/33/39/40/613333940.db2.gz JNLKWWVQYOIWFE-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000980564252 613611520 /nfs/dbraw/zinc/61/15/20/613611520.db2.gz IINCFAZMGKNEIK-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC000972456492 613632683 /nfs/dbraw/zinc/63/26/83/613632683.db2.gz AGMFCVABGHQBKK-WBVHZDCISA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC000969144509 613683505 /nfs/dbraw/zinc/68/35/05/613683505.db2.gz NMEHCNIGKAGUOB-QGZVFWFLSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC000969127235 613686754 /nfs/dbraw/zinc/68/67/54/613686754.db2.gz SRHPTLUBGNGEBV-KRWDZBQOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(C)c2C)C[C@@H]1C ZINC000947343041 613760560 /nfs/dbraw/zinc/76/05/60/613760560.db2.gz NKCTXSOMXIKKID-SMDDNHRTSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](C)C1 ZINC000943332834 613760761 /nfs/dbraw/zinc/76/07/61/613760761.db2.gz FNHVIDXJWKNTJD-CMPLNLGQSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000940731393 613787831 /nfs/dbraw/zinc/78/78/31/613787831.db2.gz SWMOIJGHELRIPX-AWEZNQCLSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000947956328 613790825 /nfs/dbraw/zinc/79/08/25/613790825.db2.gz BRLGXFDMWSRGLN-DOMZBBRYSA-N 0 3 292.810 3.109 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc3occc3c2)C[C@@H]1C ZINC000947334758 613791620 /nfs/dbraw/zinc/79/16/20/613791620.db2.gz RRMQTXNUINXJOF-BBRMVZONSA-N 0 3 298.386 3.202 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C)c1 ZINC000121683368 618466061 /nfs/dbraw/zinc/46/60/61/618466061.db2.gz NHUKXPVMDYRFOA-CQSZACIVSA-N 0 3 286.375 3.469 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001022775632 618643459 /nfs/dbraw/zinc/64/34/59/618643459.db2.gz BBYPKBUWJGTYEU-GASCZTMLSA-N 0 3 298.858 3.336 20 30 CGEDHN CN(C)[C@H](C/N=C\c1ccccc1O)c1ccccc1 ZINC000255562985 618683150 /nfs/dbraw/zinc/68/31/50/618683150.db2.gz VOJYJCWUEVNDCW-UWCCDQBKSA-N 0 3 268.360 3.114 20 30 CGEDHN N#CC(C(=O)CCc1cc(F)ccc1F)c1ccccn1 ZINC000066507138 618854413 /nfs/dbraw/zinc/85/44/13/618854413.db2.gz RNTFSAFKUFEMNS-ZDUSSCGKSA-N 0 3 286.281 3.169 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OC(F)(F)F)cc1 ZINC000229897171 618870044 /nfs/dbraw/zinc/87/00/44/618870044.db2.gz ZIUWYWBWLCWAEY-NSHDSACASA-N 0 3 257.255 3.087 20 30 CGEDHN C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000926835968 618923381 /nfs/dbraw/zinc/92/33/81/618923381.db2.gz ATCGSRXFFUMBGW-HUBLWGQQSA-N 0 3 261.340 3.374 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC001020325835 618979870 /nfs/dbraw/zinc/97/98/70/618979870.db2.gz HXTPVUFVVNRPGZ-ZQDZILKHSA-N 0 3 298.858 3.192 20 30 CGEDHN O[C@@H](c1ccccc1)C1(CNCC#Cc2ccccc2)CC1 ZINC000893180490 619020780 /nfs/dbraw/zinc/02/07/80/619020780.db2.gz HILJETPDZYQXNJ-IBGZPJMESA-N 0 3 291.394 3.142 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC(C)C)c(OC)c1)C(C)C ZINC000312161126 619040375 /nfs/dbraw/zinc/04/03/75/619040375.db2.gz OYLDLLNZQCOZLW-OAHLLOKOSA-N 0 3 275.392 3.230 20 30 CGEDHN Cc1cc(CNCC2(CC#N)CC2)c2c(n1)CCCC2 ZINC000894198130 619411305 /nfs/dbraw/zinc/41/13/05/619411305.db2.gz VWTUVTSTALLGBF-UHFFFAOYSA-N 0 3 269.392 3.052 20 30 CGEDHN CN(CCc1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl ZINC000877704196 619415740 /nfs/dbraw/zinc/41/57/40/619415740.db2.gz FKLKDNWEHHSYBQ-ZDUSSCGKSA-N 0 3 283.202 3.226 20 30 CGEDHN C[C@H](C(=O)Nc1ccc(CCC#N)cc1)N1CCCCCC1 ZINC000928404925 619516419 /nfs/dbraw/zinc/51/64/19/619516419.db2.gz USMCPJWOQNWMHY-OAHLLOKOSA-N 0 3 299.418 3.346 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc3c2NCCC3)CC1 ZINC000894431654 619531989 /nfs/dbraw/zinc/53/19/89/619531989.db2.gz VTHHYQAIHFMDMY-UHFFFAOYSA-N 0 3 269.392 3.170 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000895376969 619815970 /nfs/dbraw/zinc/81/59/70/619815970.db2.gz HXBJPIGUBKCHJS-PMACEKPBSA-N 0 3 291.394 3.200 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCC2(CC3CC3)CC2)c1 ZINC000895531678 619842500 /nfs/dbraw/zinc/84/25/00/619842500.db2.gz OEAMUQNNMOMJBO-UHFFFAOYSA-N 0 3 275.783 3.277 20 30 CGEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)CC(F)F ZINC000895534172 619843059 /nfs/dbraw/zinc/84/30/59/619843059.db2.gz GUTAFWDSAPBXJH-UHFFFAOYSA-N 0 3 287.741 3.378 20 30 CGEDHN COc1cccc([C@@H](CNCC#Cc2ccccc2)OC)c1 ZINC000895561698 619850108 /nfs/dbraw/zinc/85/01/08/619850108.db2.gz RYVLOWCZBIJQSL-LJQANCHMSA-N 0 3 295.382 3.024 20 30 CGEDHN C=CCC1(O)CCN(C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000895834404 619895078 /nfs/dbraw/zinc/89/50/78/619895078.db2.gz KMPHEOWNORHFFX-CYBMUJFWSA-N 0 3 295.373 3.471 20 30 CGEDHN C#CCN(Cc1ccc2c(c1)COC(C)(C)O2)C(C)C ZINC000897170855 620155193 /nfs/dbraw/zinc/15/51/93/620155193.db2.gz JLSKOQDSIIELCC-UHFFFAOYSA-N 0 3 273.376 3.175 20 30 CGEDHN CCc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)s1 ZINC000897602846 620407040 /nfs/dbraw/zinc/40/70/40/620407040.db2.gz XIGDLJOIWFPUSU-UHFFFAOYSA-N 0 3 291.416 3.148 20 30 CGEDHN Cc1ccc(CCCN(C)Cc2cc(C#N)cs2)cn1 ZINC000897625056 620412560 /nfs/dbraw/zinc/41/25/60/620412560.db2.gz AXFAQCPAIIZIGG-UHFFFAOYSA-N 0 3 285.416 3.388 20 30 CGEDHN CC[C@H](Cc1cccs1)NCc1nc(C#N)cs1 ZINC000897629300 620414233 /nfs/dbraw/zinc/41/42/33/620414233.db2.gz TZJJPZGZKBRFFX-SNVBAGLBSA-N 0 3 277.418 3.187 20 30 CGEDHN CC[C@H](N[C@H]1CCCc2c1cnn2C)c1cccc(C#N)c1 ZINC000902742708 621422362 /nfs/dbraw/zinc/42/23/62/621422362.db2.gz WCYRVCBJSZEJHO-IRXDYDNUSA-N 0 3 294.402 3.410 20 30 CGEDHN C[C@H](C[C@H](O)c1ccccc1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902848608 621471948 /nfs/dbraw/zinc/47/19/48/621471948.db2.gz UDYHZKBIRONOOY-LBTNJELSSA-N 0 3 295.386 3.116 20 30 CGEDHN Cc1ccc([C@H](O)[C@H](C)N[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902986497 621511978 /nfs/dbraw/zinc/51/19/78/621511978.db2.gz BNZRIYNLCWVTKV-QWQRMKEZSA-N 0 3 295.386 3.034 20 30 CGEDHN Cc1ccccc1C[C@H](NCC(C)(C)C#N)C1CC1 ZINC000903102430 621575476 /nfs/dbraw/zinc/57/54/76/621575476.db2.gz ZFHXZPGMRKTARR-INIZCTEOSA-N 0 3 256.393 3.456 20 30 CGEDHN C[C@H](NCC1(C#N)CCCC1)[C@@H]1COc2ccccc2C1 ZINC000903108413 621581504 /nfs/dbraw/zinc/58/15/04/621581504.db2.gz BZURYBHUXPTLBZ-HOCLYGCPSA-N 0 3 284.403 3.300 20 30 CGEDHN C=CCC[C@@H](CC)NCc1nc(CN(C)C)cs1 ZINC000903225312 621628952 /nfs/dbraw/zinc/62/89/52/621628952.db2.gz FKGVMDIEEUKXGA-GFCCVEGCSA-N 0 3 267.442 3.039 20 30 CGEDHN C=CCC[C@H](NCc1nc(CN(C)C)cs1)C1CC1 ZINC000903222863 621634059 /nfs/dbraw/zinc/63/40/59/621634059.db2.gz MUQKJVKEGWQILS-AWEZNQCLSA-N 0 3 279.453 3.039 20 30 CGEDHN Cc1cc(C)c(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905081827 622033230 /nfs/dbraw/zinc/03/32/30/622033230.db2.gz TWDDLEGBHVITID-AISSWFOISA-N 0 3 267.332 3.044 20 30 CGEDHN CC(C)c1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905084626 622033563 /nfs/dbraw/zinc/03/35/63/622033563.db2.gz JJHDPFLZQJFAOR-KSSSLANASA-N 0 3 267.332 3.242 20 30 CGEDHN N#Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1Cl ZINC000906165011 622162945 /nfs/dbraw/zinc/16/29/45/622162945.db2.gz PCGXDJCTPIXZCH-CQSZACIVSA-N 0 3 284.750 3.093 20 30 CGEDHN C=CCc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906207351 622186692 /nfs/dbraw/zinc/18/66/92/622186692.db2.gz UZCBCSORDZAWEJ-INIZCTEOSA-N 0 3 265.360 3.297 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Br)cc1 ZINC000911907249 622569663 /nfs/dbraw/zinc/56/96/63/622569663.db2.gz JDGHECVGGBPMHV-LBPRGKRZSA-N 0 3 297.196 3.071 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1C ZINC000911960360 622580129 /nfs/dbraw/zinc/58/01/29/622580129.db2.gz QFHJTXPIYVPVJD-LBPRGKRZSA-N 0 3 266.772 3.271 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](N)C[C@@H](C)CC ZINC000912080878 622598356 /nfs/dbraw/zinc/59/83/56/622598356.db2.gz BDVXPIDNOKIYIN-GXTWGEPZSA-N 0 3 280.437 3.026 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000912353569 622640214 /nfs/dbraw/zinc/64/02/14/622640214.db2.gz UOZIKBZFVWAABM-NHYWBVRUSA-N 0 3 296.361 3.168 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1C ZINC000912394103 622645512 /nfs/dbraw/zinc/64/55/12/622645512.db2.gz HWQQDKWCAFKSRO-IRXDYDNUSA-N 0 3 286.419 3.342 20 30 CGEDHN N#CC(C(=O)C=Cc1cccs1)c1ccccn1 ZINC000046439286 622969505 /nfs/dbraw/zinc/96/95/05/622969505.db2.gz VFUOAICPZLKSFJ-NNNHXZLVSA-N 0 3 254.314 3.033 20 30 CGEDHN N#Cc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921520387 625627802 /nfs/dbraw/zinc/62/78/02/625627802.db2.gz HSVYUFYSVXPICK-UHFFFAOYSA-N 0 3 278.355 3.173 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992164603 623457835 /nfs/dbraw/zinc/45/78/35/623457835.db2.gz YMFGVLVJDAGXAW-HDMKZQKVSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992164606 623458989 /nfs/dbraw/zinc/45/89/89/623458989.db2.gz YMFGVLVJDAGXAW-RLFYNMQTSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@H]12 ZINC000992429656 623554974 /nfs/dbraw/zinc/55/49/74/623554974.db2.gz MQVLUYWMXZJLSQ-IEZWGBDMSA-N 0 3 298.430 3.089 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(C)c3C)CCC[C@@H]12 ZINC000992468732 623581016 /nfs/dbraw/zinc/58/10/16/623581016.db2.gz QQMYHERQGAWKLW-MJGOQNOKSA-N 0 3 298.430 3.216 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)C3CCC=CCC3)CCC[C@H]12 ZINC000992492836 623602315 /nfs/dbraw/zinc/60/23/15/623602315.db2.gz HYECTCIPIUZTQE-WMZOPIPTSA-N 0 3 288.435 3.032 20 30 CGEDHN Cc1cccc(OC[C@H](C)NCc2csc(C#N)c2)c1 ZINC000921582774 625691663 /nfs/dbraw/zinc/69/16/63/625691663.db2.gz MCYNLCZQYPGPFT-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994251569 624129385 /nfs/dbraw/zinc/12/93/85/624129385.db2.gz NAHVRPLKYGGWMB-LUKYLMHMSA-N 0 3 292.467 3.358 20 30 CGEDHN CC(C)(C)Oc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000873518153 634399586 /nfs/dbraw/zinc/39/95/86/634399586.db2.gz DLFZQJQPXCSBMA-CQSZACIVSA-N 0 3 295.342 3.144 20 30 CGEDHN C=C(C)CN(C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000181274887 624839363 /nfs/dbraw/zinc/83/93/63/624839363.db2.gz WMXVJVMDHBFFHK-UHFFFAOYSA-N 0 3 271.360 3.418 20 30 CGEDHN C=CCNC(=O)CN[C@@H](CCCCC)c1ccccc1 ZINC000181746033 624892339 /nfs/dbraw/zinc/89/23/39/624892339.db2.gz JDTRPKDMWDFGDC-INIZCTEOSA-N 0 3 274.408 3.200 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)=C2CCCC2)C1 ZINC000998612159 625817655 /nfs/dbraw/zinc/81/76/55/625817655.db2.gz AEYHDEPFTNEOJY-UHFFFAOYSA-N 0 3 296.842 3.208 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000998826318 625821194 /nfs/dbraw/zinc/82/11/94/625821194.db2.gz DXMUCQLYHOBCRP-XUJLQICISA-N 0 3 296.842 3.064 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC000999672567 625832867 /nfs/dbraw/zinc/83/28/67/625832867.db2.gz PHNDJDATBGWWKS-LRVUVFPRSA-N 0 3 298.858 3.144 20 30 CGEDHN C[C@H](CNCc1csc(C#N)c1)Oc1ccccc1F ZINC000921792458 625877032 /nfs/dbraw/zinc/87/70/32/625877032.db2.gz MJNSLMHHIDZHGH-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN CC[C@@H](CNCc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000922600516 626018247 /nfs/dbraw/zinc/01/82/47/626018247.db2.gz VOYRKKHRUNEELX-LBPRGKRZSA-N 0 3 294.420 3.077 20 30 CGEDHN C#CCOc1ccc(CNCc2ccc(C)c(OC)c2)cc1 ZINC000172116302 626089470 /nfs/dbraw/zinc/08/94/70/626089470.db2.gz YWCFUYYWWLXJOH-UHFFFAOYSA-N 0 3 295.382 3.305 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2csc(C)c2)CC1 ZINC001006135903 626162347 /nfs/dbraw/zinc/16/23/47/626162347.db2.gz ICFNHMOMOQPWAZ-UHFFFAOYSA-N 0 3 292.448 3.169 20 30 CGEDHN COc1cccc2cc(CNCC(C)(C)CC#N)oc21 ZINC000839163828 626330611 /nfs/dbraw/zinc/33/06/11/626330611.db2.gz RQUXWOKFWFTHKY-UHFFFAOYSA-N 0 3 272.348 3.471 20 30 CGEDHN Cc1cc(CNCC(C)(C)CC#N)cc(Cl)n1 ZINC000839163794 626330798 /nfs/dbraw/zinc/33/07/98/626330798.db2.gz PNXLUMSMSXDZJR-UHFFFAOYSA-N 0 3 251.761 3.073 20 30 CGEDHN C=C(Cl)CN(C)[C@H]1CCCN(CC(=C)Cl)CC1 ZINC000839529345 626362969 /nfs/dbraw/zinc/36/29/69/626362969.db2.gz VCWNPMKAGUJXSF-ZDUSSCGKSA-N 0 3 277.239 3.278 20 30 CGEDHN Cc1cc(N=NC2CN(C)C[C@H]2C)ccc1Br ZINC000752165784 626420694 /nfs/dbraw/zinc/42/06/94/626420694.db2.gz YYWHJWSCQIXADT-SNVBAGLBSA-N 0 3 296.212 3.107 20 30 CGEDHN N#CCc1ccc(CN[C@@H](CCO)c2cccs2)cc1 ZINC000754391710 626571008 /nfs/dbraw/zinc/57/10/08/626571008.db2.gz ZTHFGMJTOFMZRC-HNNXBMFYSA-N 0 3 286.400 3.027 20 30 CGEDHN C[C@H]1C[C@H]([NH2+]CCCCC#N)c2c1c(F)ccc2[O-] ZINC000756534345 626713131 /nfs/dbraw/zinc/71/31/31/626713131.db2.gz KEDZVIBBLVSHHT-JQWIXIFHSA-N 0 3 262.328 3.363 20 30 CGEDHN C=CCCN(C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839575838 626762492 /nfs/dbraw/zinc/76/24/92/626762492.db2.gz KGYJTESNEFMURK-UHFFFAOYSA-N 0 3 271.282 3.440 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(N(CC)CC)c(F)c1 ZINC000809685982 626771807 /nfs/dbraw/zinc/77/18/07/626771807.db2.gz FRIWVMZERWGUMR-AWEZNQCLSA-N 0 3 262.372 3.173 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccccc2C(F)(F)F)CN1C ZINC000761795372 627060834 /nfs/dbraw/zinc/06/08/34/627060834.db2.gz ZLBCVPGAHSLAAO-SECBINFHSA-N 0 3 271.286 3.197 20 30 CGEDHN CCCCCCCC(=O)NCCN1CC=C(C)CC1 ZINC000762703337 627120897 /nfs/dbraw/zinc/12/08/97/627120897.db2.gz CNKGBPIUOKIJKO-UHFFFAOYSA-N 0 3 266.429 3.115 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)CC(F)(F)F)cc1 ZINC000766477495 627335029 /nfs/dbraw/zinc/33/50/29/627335029.db2.gz CUYGBBZJAVDEPY-WDEREUQCSA-N 0 3 286.297 3.408 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000766572239 627344779 /nfs/dbraw/zinc/34/47/79/627344779.db2.gz OFKUOFCXSRJKNC-STQMWFEESA-N 0 3 255.365 3.406 20 30 CGEDHN C=C(Br)CN[C@H](C)CSC(C)(C)C ZINC000125086045 634572537 /nfs/dbraw/zinc/57/25/37/634572537.db2.gz YUVQDOUKAMROTG-SECBINFHSA-N 0 3 266.248 3.405 20 30 CGEDHN N#Cc1ccc(CN(CCc2ccccc2)C2CC2)o1 ZINC000768252838 627471044 /nfs/dbraw/zinc/47/10/44/627471044.db2.gz SNXMSDBPGFEECL-UHFFFAOYSA-N 0 3 266.344 3.358 20 30 CGEDHN C=CCN(Cc1cc(OC)cc2c1O[C@@H](C)C2)C(C)C ZINC000768548104 627485787 /nfs/dbraw/zinc/48/57/87/627485787.db2.gz WSUNSSHQGBWPSU-ZDUSSCGKSA-N 0 3 275.392 3.415 20 30 CGEDHN C#CCOc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000769142359 627525367 /nfs/dbraw/zinc/52/53/67/627525367.db2.gz WCBRYILFXPJWLT-OKILXGFUSA-N 0 3 275.417 3.024 20 30 CGEDHN C#CCN(Cc1cnc2nc(C)cc(C)n12)C1CCCCC1 ZINC000769145611 627525824 /nfs/dbraw/zinc/52/58/24/627525824.db2.gz JKNJGSBFBTZZDT-UHFFFAOYSA-N 0 3 296.418 3.114 20 30 CGEDHN C#CCN(Cc1cnc2cccc(C)n12)C1CCCCC1 ZINC000769146236 627525977 /nfs/dbraw/zinc/52/59/77/627525977.db2.gz PQLJTGOBQUIKBP-UHFFFAOYSA-N 0 3 281.403 3.411 20 30 CGEDHN C#CCOc1ccc(CN2CCS[C@@H](CC)C2)cc1 ZINC000769447717 627553695 /nfs/dbraw/zinc/55/36/95/627553695.db2.gz WJYMVOAMEQJKOU-INIZCTEOSA-N 0 3 275.417 3.026 20 30 CGEDHN C#C[C@@H](C)N(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000769960984 627592659 /nfs/dbraw/zinc/59/26/59/627592659.db2.gz JUDTULNUHGPOMZ-LLVKDONJSA-N 0 3 271.282 3.038 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1sc2nc(C)nc(C)c2c1C ZINC000775184682 628070757 /nfs/dbraw/zinc/07/07/57/628070757.db2.gz XMUZNVARFLLKPU-SECBINFHSA-N 0 3 273.405 3.070 20 30 CGEDHN C#C[C@H](C)NCc1c(-c2ccccc2)nc2sccn12 ZINC000775431434 628094674 /nfs/dbraw/zinc/09/46/74/628094674.db2.gz YSVYCYAUACPDJH-LBPRGKRZSA-N 0 3 281.384 3.174 20 30 CGEDHN N#CCC[C@H](NC[C@H](O)c1ccccc1)c1ccccc1 ZINC000775552142 628105652 /nfs/dbraw/zinc/10/56/52/628105652.db2.gz FRRXTGBQHJQENT-ROUUACIJSA-N 0 3 280.371 3.355 20 30 CGEDHN C#C[C@H](N[C@H]1CCCc2ccc(C)cc21)[C@H]1CCCO1 ZINC000775572717 628109139 /nfs/dbraw/zinc/10/91/39/628109139.db2.gz UDCYYPBOANXNIU-OKZBNKHCSA-N 0 3 269.388 3.143 20 30 CGEDHN C=C(Br)CN1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000782502031 628650890 /nfs/dbraw/zinc/65/08/90/628650890.db2.gz DPCBZQQGKRIOLJ-DLOVCJGASA-N 0 3 258.203 3.406 20 30 CGEDHN C#CCN(Cc1ccc2nc(C)ccc2c1)C1CC1 ZINC000783676682 628738561 /nfs/dbraw/zinc/73/85/61/628738561.db2.gz IRKDGGDCMYDNCL-UHFFFAOYSA-N 0 3 250.345 3.141 20 30 CGEDHN N#CCOc1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000788511098 629061252 /nfs/dbraw/zinc/06/12/52/629061252.db2.gz CBBFSGWHQBIDMS-UHFFFAOYSA-N 0 3 291.354 3.360 20 30 CGEDHN C=CCN1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000791408026 629273515 /nfs/dbraw/zinc/27/35/15/629273515.db2.gz PLULPWPYNIHOQR-UHFFFAOYSA-N 0 3 295.770 3.311 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnc(Cl)c(C)c2)C1 ZINC000862441585 629374139 /nfs/dbraw/zinc/37/41/39/629374139.db2.gz UBHGJAPTRLXVTB-LBPRGKRZSA-N 0 3 250.773 3.441 20 30 CGEDHN Cc1ccccc1C(N=Nc1ccncc1C)C1CC1 ZINC000863157056 629483458 /nfs/dbraw/zinc/48/34/58/629483458.db2.gz GPWFPCSBQIHJQP-UHFFFAOYSA-N 0 3 265.360 3.347 20 30 CGEDHN Cc1cc(NN=Cc2cnc(C(C)(C)C)s2)ccn1 ZINC000863158675 629484535 /nfs/dbraw/zinc/48/45/35/629484535.db2.gz LOQYXTVSDJGTKN-UHFFFAOYSA-N 0 3 274.393 3.012 20 30 CGEDHN CC(C)CN(CCC#N)CCCc1ccc2c(c1)CCO2 ZINC000795861791 629721769 /nfs/dbraw/zinc/72/17/69/629721769.db2.gz WMEQBADZRZNDLV-UHFFFAOYSA-N 0 3 286.419 3.426 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CC[C@H]1C ZINC000796527469 629795856 /nfs/dbraw/zinc/79/58/56/629795856.db2.gz ZLHWMTDWHIRZNQ-BXUZGUMPSA-N 0 3 263.768 3.240 20 30 CGEDHN C=CC[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccncc1 ZINC000796771959 629830517 /nfs/dbraw/zinc/83/05/17/629830517.db2.gz MZSLGYFHJGTQIE-LSDHHAIUSA-N 0 3 268.364 3.089 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CC(C)(C)C2)cc1 ZINC000796795923 629836046 /nfs/dbraw/zinc/83/60/46/629836046.db2.gz ADPDEUYVBIDGQE-HNNXBMFYSA-N 0 3 298.386 3.333 20 30 CGEDHN C=CCN(Cc1c(C)nn(-c2ccccn2)c1C)C(C)C ZINC000802638448 630400296 /nfs/dbraw/zinc/40/02/96/630400296.db2.gz ODPLHHIOEREUBZ-UHFFFAOYSA-N 0 3 284.407 3.281 20 30 CGEDHN N#CC[C@@H](O)CN1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000809577010 630753039 /nfs/dbraw/zinc/75/30/39/630753039.db2.gz IZAOCXQDLYGOFQ-QAZIKRLUSA-N 0 3 284.403 3.219 20 30 CGEDHN C#Cc1ccc(CNCc2ccc([C@H](C)O)cc2)cc1 ZINC000809610423 630761029 /nfs/dbraw/zinc/76/10/29/630761029.db2.gz ZOODJDRSGAZNRD-AWEZNQCLSA-N 0 3 265.356 3.011 20 30 CGEDHN C=CCCC[C@@H](C)NCc1ncc(C2OCCO2)s1 ZINC000809631826 630767627 /nfs/dbraw/zinc/76/76/27/630767627.db2.gz JIEDSAOMMCIGAQ-LLVKDONJSA-N 0 3 282.409 3.023 20 30 CGEDHN C#C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000809683465 630779252 /nfs/dbraw/zinc/77/92/52/630779252.db2.gz CGLOEZUHPKBOAQ-LLVKDONJSA-N 0 3 286.356 3.435 20 30 CGEDHN C#C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809683701 630779447 /nfs/dbraw/zinc/77/94/47/630779447.db2.gz KUFJOCNABGTWDW-ZDUSSCGKSA-N 0 3 251.329 3.171 20 30 CGEDHN C#C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809683030 630779897 /nfs/dbraw/zinc/77/98/97/630779897.db2.gz MPBYKZCEAWACKL-AWEZNQCLSA-N 0 3 281.355 3.083 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000809686150 630781667 /nfs/dbraw/zinc/78/16/67/630781667.db2.gz VHCIYTOMQZNZPT-HIFRSBDPSA-N 0 3 275.392 3.374 20 30 CGEDHN C#C[C@H](NCc1c[nH]nc1-c1ccccc1F)C(C)(C)C ZINC000809780942 630805159 /nfs/dbraw/zinc/80/51/59/630805159.db2.gz BAIVRLWDWKTVRN-HNNXBMFYSA-N 0 3 285.366 3.353 20 30 CGEDHN C#C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)C(C)(C)C ZINC000809781930 630807591 /nfs/dbraw/zinc/80/75/91/630807591.db2.gz DLDGSUXEJQLNNA-MRXNPFEDSA-N 0 3 267.376 3.214 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000876558996 634856630 /nfs/dbraw/zinc/85/66/30/634856630.db2.gz RLLQKYRJZLJJHV-ZDUSSCGKSA-N 0 3 266.772 3.218 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000817714978 632205234 /nfs/dbraw/zinc/20/52/34/632205234.db2.gz YWJKPOKCKDQTLG-QNWHQSFQSA-N 0 3 279.343 3.175 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000818347295 632311841 /nfs/dbraw/zinc/31/18/41/632311841.db2.gz PUSQQWYRZBNUJT-MPXAEWJHSA-N 0 3 291.366 3.260 20 30 CGEDHN C=CCCCCC[C@H](C)NCc1nn(CC)nc1C ZINC000818345718 632312230 /nfs/dbraw/zinc/31/22/30/632312230.db2.gz OGZZAAZRNKDNNR-ZDUSSCGKSA-N 0 3 264.417 3.221 20 30 CGEDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@@H](C#N)CCC#N ZINC000819377753 632444339 /nfs/dbraw/zinc/44/43/39/632444339.db2.gz UTEISFQPGRDJPP-JKSUJKDBSA-N 0 3 298.434 3.025 20 30 CGEDHN C#CCOc1ccc(CN[C@@H]2CCCc3ncccc32)cc1 ZINC000866367554 633104312 /nfs/dbraw/zinc/10/43/12/633104312.db2.gz KMWDIKVZPLJYLX-LJQANCHMSA-N 0 3 292.382 3.261 20 30 CGEDHN C#Cc1cccc(CN[C@H]2CCc3cc(OC)ccc32)c1 ZINC000866368369 633105732 /nfs/dbraw/zinc/10/57/32/633105732.db2.gz AZDHPKLWHFVCNT-IBGZPJMESA-N 0 3 277.367 3.454 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000876561849 634858202 /nfs/dbraw/zinc/85/82/02/634858202.db2.gz MDQOAIDUKGQXRR-CABCVRRESA-N 0 3 294.826 3.360 20 30 CGEDHN C#CCOc1ccccc1CNC[C@@]1(C)CC1(Cl)Cl ZINC000824758045 633284800 /nfs/dbraw/zinc/28/48/00/633284800.db2.gz GUXMHJDGNHJXEU-CQSZACIVSA-N 0 3 298.213 3.372 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2sccc2[C@H]1CC ZINC000876602071 634865658 /nfs/dbraw/zinc/86/56/58/634865658.db2.gz GSTVMYASZIFYSW-VXGBXAGGSA-N 0 3 298.839 3.054 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC(C)C)cc1C ZINC000876607376 634866722 /nfs/dbraw/zinc/86/67/22/634866722.db2.gz URYYHLWNIVZAQX-CYBMUJFWSA-N 0 3 296.798 3.191 20 30 CGEDHN C=CCCCCC[C@@H](C)NCc1nc(-c2ccccn2)n[nH]1 ZINC000825188309 633334672 /nfs/dbraw/zinc/33/46/72/633334672.db2.gz IRQTVVHJTFBZAZ-CQSZACIVSA-N 0 3 299.422 3.481 20 30 CGEDHN C=CCN1CCC(NC(=O)/C(F)=C/C2CCCCC2)CC1 ZINC000825756146 633380840 /nfs/dbraw/zinc/38/08/40/633380840.db2.gz JQOYNCVRLWKDSF-SSZFMOIBSA-N 0 3 294.414 3.187 20 30 CGEDHN C#C[C@@H](NCc1ccc(C(=O)OC)c(Cl)c1)C(C)(C)C ZINC000825940282 633389608 /nfs/dbraw/zinc/38/96/08/633389608.db2.gz RPTAUYSKXJJQQF-CQSZACIVSA-N 0 3 293.794 3.264 20 30 CGEDHN Cc1ccncc1CCCNCC1(C#N)CCCCC1 ZINC000827384435 633488420 /nfs/dbraw/zinc/48/84/20/633488420.db2.gz SNWPMGVYWOOUHH-UHFFFAOYSA-N 0 3 271.408 3.386 20 30 CGEDHN C=CCN(C[C@@H]1CN(C2CCCCC2)C(=O)O1)C(C)C ZINC000827799291 633518081 /nfs/dbraw/zinc/51/80/81/633518081.db2.gz QBUPMEVCQMMWNS-OAHLLOKOSA-N 0 3 280.412 3.036 20 30 CGEDHN C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@](O)(CC#N)C1 ZINC000829975795 633814543 /nfs/dbraw/zinc/81/45/43/633814543.db2.gz TXWJIBFSHBQPID-RISCZKNCSA-N 0 3 298.308 3.117 20 30 CGEDHN Nc1ccc2c(c1)CCCC2=NNCC1CCCC1 ZINC000834979677 634302258 /nfs/dbraw/zinc/30/22/58/634302258.db2.gz LEAYSBOAXLCCFL-UHFFFAOYSA-N 0 3 257.381 3.089 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C2=CC[C@H](C)CC2)nc(C)n1 ZINC000835060602 634341992 /nfs/dbraw/zinc/34/19/92/634341992.db2.gz RXBPPLSCHZAZAC-IINYFYTJSA-N 0 3 269.348 3.016 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(C)cc1C ZINC000876589864 634863469 /nfs/dbraw/zinc/86/34/69/634863469.db2.gz PKUFMLBCYUXHTA-UKRRQHHQSA-N 0 3 294.826 3.293 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@@H]1CC(C)C ZINC000876674886 634879124 /nfs/dbraw/zinc/87/91/24/634879124.db2.gz VSJGGWYCOBXCFL-ZIAGYGMSSA-N 0 3 286.847 3.274 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCC2CCCC2)c1 ZINC000876912148 634927673 /nfs/dbraw/zinc/92/76/73/634927673.db2.gz CXFXAOPBJFDDIK-UHFFFAOYSA-N 0 3 263.772 3.277 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1F)C(C)C ZINC000876962755 634939180 /nfs/dbraw/zinc/93/91/80/634939180.db2.gz VTGAZUVAXXEKHO-ZIAGYGMSSA-N 0 3 298.789 3.109 20 30 CGEDHN Cc1cccc(F)c1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000877067624 634969421 /nfs/dbraw/zinc/96/94/21/634969421.db2.gz HLSJLEQQDNRZOD-AWEZNQCLSA-N 0 3 290.382 3.323 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC2CCC(F)(F)CC2)c1 ZINC000877125568 634992482 /nfs/dbraw/zinc/99/24/82/634992482.db2.gz PDGZWZPXRMWUDS-UHFFFAOYSA-N 0 3 285.725 3.274 20 30 CGEDHN N#Cc1cccc(CN2CCCC3(CCCC3)C2)n1 ZINC000877462020 635046007 /nfs/dbraw/zinc/04/60/07/635046007.db2.gz JVJMSDSPVGDOQK-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN C#C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000877544423 635081790 /nfs/dbraw/zinc/08/17/90/635081790.db2.gz PKYXHALJLQFAKM-CABCVRRESA-N 0 3 261.340 3.047 20 30 CGEDHN C#C[C@H](NCC1CCSCC1)c1ccc(F)cc1 ZINC000877544837 635083448 /nfs/dbraw/zinc/08/34/48/635083448.db2.gz YOCOKCYGDJASAY-HNNXBMFYSA-N 0 3 263.381 3.233 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000877744910 635179241 /nfs/dbraw/zinc/17/92/41/635179241.db2.gz ANYRKXSTRFOKOT-UHFFFAOYSA-N 0 3 296.418 3.010 20 30 CGEDHN C[C@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)c1ccccc1[O-] ZINC000877758369 635187810 /nfs/dbraw/zinc/18/78/10/635187810.db2.gz WKLOQSTVOBIXCS-ZDUSSCGKSA-N 0 3 295.386 3.181 20 30 CGEDHN Clc1ccc([C@@H]2CCCC(=Nn3cnnc3)C2)cc1 ZINC000841603381 635194994 /nfs/dbraw/zinc/19/49/94/635194994.db2.gz HHWKBVNUNPALSB-GFCCVEGCSA-N 0 3 274.755 3.493 20 30 CGEDHN C[C@@H](C#N)CNN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841633512 635202475 /nfs/dbraw/zinc/20/24/75/635202475.db2.gz OSWBHCMXGRVRJM-KBXCAEBGSA-N 0 3 296.418 3.091 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN(C)CCC(C)C)c1ccccc1 ZINC000877975877 635301006 /nfs/dbraw/zinc/30/10/06/635301006.db2.gz RJPCJADVNBENPW-SFHVURJKSA-N 0 3 286.419 3.405 20 30 CGEDHN CCN(CC)c1ccc(C=NNC23CC(C2)C3)cc1 ZINC000842547995 635399932 /nfs/dbraw/zinc/39/99/32/635399932.db2.gz CFOJERKHEYERHU-UHFFFAOYSA-N 0 3 257.381 3.009 20 30 CGEDHN C[C@@H](NC[C@@H]1CC2(CCC2)CO1)c1ccc(C#N)cc1F ZINC000878407187 635492460 /nfs/dbraw/zinc/49/24/60/635492460.db2.gz NAHZXXLIDVYVQC-OCCSQVGLSA-N 0 3 288.366 3.307 20 30 CGEDHN O[C@@H](c1ccccc1)[C@H]1CCCN1CC#Cc1ccccc1 ZINC000879246794 635734216 /nfs/dbraw/zinc/73/42/16/635734216.db2.gz XVBJMLHYIIRIKB-UXHICEINSA-N 0 3 291.394 3.236 20 30 CGEDHN C[C@]1(C(F)(F)F)CCN(CCOc2ccccc2C#N)C1 ZINC000880000215 635895534 /nfs/dbraw/zinc/89/55/34/635895534.db2.gz KDSFVZGDENROCB-AWEZNQCLSA-N 0 3 298.308 3.211 20 30 CGEDHN N#CC1(CCN2C[C@H]3[C@@H](C2)C3(F)F)CCCCC1 ZINC000844461984 635909536 /nfs/dbraw/zinc/90/95/36/635909536.db2.gz MHBMRHNDYVXWEV-TXEJJXNPSA-N 0 3 254.324 3.047 20 30 CGEDHN C#CCCCN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000846144162 636149289 /nfs/dbraw/zinc/14/92/89/636149289.db2.gz GFUWRWSKIDZSEO-SFHVURJKSA-N 0 3 280.371 3.183 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000847027836 636316940 /nfs/dbraw/zinc/31/69/40/636316940.db2.gz CZPMNQONGRECJY-HNNXBMFYSA-N 0 3 295.382 3.255 20 30 CGEDHN c1ccc(CON=C2CCCN3CCCC[C@H]23)cc1 ZINC000848404193 636567558 /nfs/dbraw/zinc/56/75/58/636567558.db2.gz GGQBTHYEMWROJM-MRXNPFEDSA-N 0 3 258.365 3.208 20 30 CGEDHN C=CCC[C@H](NCc1cn2c(cccc2C)n1)[C@@H]1CCCO1 ZINC000883188228 636573163 /nfs/dbraw/zinc/57/31/63/636573163.db2.gz HBEDHXPRZQILPG-IRXDYDNUSA-N 0 3 299.418 3.246 20 30 CGEDHN C=CCC[C@H](NCc1ncc(C)s1)[C@H]1CCCO1 ZINC000883192998 636576974 /nfs/dbraw/zinc/57/69/74/636576974.db2.gz MISADZOAQDBFFU-QWHCGFSZSA-N 0 3 266.410 3.055 20 30 CGEDHN C=CCC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000883200206 636580673 /nfs/dbraw/zinc/58/06/73/636580673.db2.gz CXCICPHRXHPGQL-GDBMZVCRSA-N 0 3 290.363 3.198 20 30 CGEDHN C=CCC[C@H](NCc1noc2ccccc12)[C@@H]1CCCO1 ZINC000883234090 636603565 /nfs/dbraw/zinc/60/35/65/636603565.db2.gz WGKJIMXEZVIPIF-YOEHRIQHSA-N 0 3 286.375 3.431 20 30 CGEDHN C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000848923730 636695303 /nfs/dbraw/zinc/69/53/03/636695303.db2.gz IXPQMTBLEDJWMX-LBPRGKRZSA-N 0 3 263.768 3.199 20 30 CGEDHN C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000848923730 636695306 /nfs/dbraw/zinc/69/53/06/636695306.db2.gz IXPQMTBLEDJWMX-LBPRGKRZSA-N 0 3 263.768 3.199 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000883392293 636737455 /nfs/dbraw/zinc/73/74/55/636737455.db2.gz DTRIHQXQOOZPQB-RYUDHWBXSA-N 0 3 283.799 3.326 20 30 CGEDHN C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000883392634 636738352 /nfs/dbraw/zinc/73/83/52/636738352.db2.gz LQILRJWRFUURMS-DGCLKSJQSA-N 0 3 283.799 3.332 20 30 CGEDHN CC(C)(C)[N@@H+]1CC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000849170592 636763304 /nfs/dbraw/zinc/76/33/04/636763304.db2.gz NGIOFBZBAYSOON-YRUBURHZSA-N 0 3 280.799 3.337 20 30 CGEDHN CC(C)(C)[N@H+]1CC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000849170592 636763310 /nfs/dbraw/zinc/76/33/10/636763310.db2.gz NGIOFBZBAYSOON-YRUBURHZSA-N 0 3 280.799 3.337 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2COC(C)(C)C2)c([O-])c1 ZINC000849171011 636763895 /nfs/dbraw/zinc/76/38/95/636763895.db2.gz PWBBOIBOLWGZIB-DZBQEORWSA-N 0 3 290.407 3.225 20 30 CGEDHN N#Cc1cccc(C2(NCCSC(F)(F)F)CC2)c1 ZINC000886112144 637419856 /nfs/dbraw/zinc/41/98/56/637419856.db2.gz QNEKAGYUQNWHJZ-UHFFFAOYSA-N 0 3 286.322 3.390 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC000886302399 637489631 /nfs/dbraw/zinc/48/96/31/637489631.db2.gz LIMOGUNGCWRKAT-PKOBYXMFSA-N 0 3 296.414 3.068 20 30 CGEDHN N#CC[C@@H]1CCCN(C[C@H](O)c2cccc3ccccc32)C1 ZINC000852320193 637635111 /nfs/dbraw/zinc/63/51/11/637635111.db2.gz XIEQURZXQGDUHW-KXBFYZLASA-N 0 3 294.398 3.499 20 30 CGEDHN C=CC[C@@H]1CCCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000852410922 637648465 /nfs/dbraw/zinc/64/84/65/637648465.db2.gz QGXYRAPRWHWCQM-WBMJQRKESA-N 0 3 281.346 3.286 20 30 CGEDHN C=CCC[C@H](NCc1cc(C2CC2)no1)[C@@H]1CCCO1 ZINC000886686845 637652311 /nfs/dbraw/zinc/65/23/11/637652311.db2.gz YKFQMNMTLAHUCK-HOCLYGCPSA-N 0 3 276.380 3.155 20 30 CGEDHN C=CCC1(O)CCN(Cc2cnc3ccccc3c2)CC1 ZINC000886778561 637685677 /nfs/dbraw/zinc/68/56/77/637685677.db2.gz HJAMZHHMPDTQHT-UHFFFAOYSA-N 0 3 282.387 3.138 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1ccc(F)cc1F ZINC000852685328 637695124 /nfs/dbraw/zinc/69/51/24/637695124.db2.gz FJPUTMXEHZXKPJ-ZENOOKHLSA-N 0 3 279.330 3.181 20 30 CGEDHN C#CCC1(NCc2cc(OC)ccc2Cl)CCOCC1 ZINC000887120677 637752457 /nfs/dbraw/zinc/75/24/57/637752457.db2.gz LPZNIPLJRDCYSX-UHFFFAOYSA-N 0 3 293.794 3.011 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2C[C@H](OC)C2)c([O-])c1 ZINC000887268905 637785491 /nfs/dbraw/zinc/78/54/91/637785491.db2.gz XZFFFBQTVYEFGJ-CBTUFHEFSA-N 0 3 290.407 3.082 20 30 CGEDHN C#C[C@@H](NCc1csc(Br)c1)C(C)C ZINC000301006098 637857179 /nfs/dbraw/zinc/85/71/79/637857179.db2.gz XWVUHABQBDFKEI-SNVBAGLBSA-N 0 3 272.211 3.258 20 30 CGEDHN C#Cc1cccc(NC(=O)CN[C@H](CC)c2ccccc2)c1 ZINC000112532681 638089636 /nfs/dbraw/zinc/08/96/36/638089636.db2.gz ZFRGPHKOWMTVLQ-GOSISDBHSA-N 0 3 292.382 3.347 20 30 CGEDHN Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925084746 638448977 /nfs/dbraw/zinc/44/89/77/638448977.db2.gz WXPKFGSJBANNKE-SMDDNHRTSA-N 0 3 272.396 3.080 20 30 CGEDHN C=CCSCCN[C@H](CC)c1cccc(OC)n1 ZINC000925353864 638496541 /nfs/dbraw/zinc/49/65/41/638496541.db2.gz YUCRVFTWYHPHLD-GFCCVEGCSA-N 0 3 266.410 3.050 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000925471155 638507280 /nfs/dbraw/zinc/50/72/80/638507280.db2.gz NQRVMXZFTCENCT-IIAWOOMASA-N 0 3 299.418 3.098 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000925918548 638654461 /nfs/dbraw/zinc/65/44/61/638654461.db2.gz PIZXLDXCQTWPTL-GFCCVEGCSA-N 0 3 286.375 3.322 20 30 CGEDHN CSC1CC(N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000926148174 638722223 /nfs/dbraw/zinc/72/22/23/638722223.db2.gz OPDJRXWKCCGSTK-GCVQQVDUSA-N 0 3 264.369 3.242 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2c(Cl)ccnc21 ZINC000926526935 638781477 /nfs/dbraw/zinc/78/14/77/638781477.db2.gz OFSZWTANIYUZTM-RDBSUJKOSA-N 0 3 278.783 3.046 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1cnn(C2CCC2)c1 ZINC000926567984 638786069 /nfs/dbraw/zinc/78/60/69/638786069.db2.gz KAWLPPRVMDDZCW-LBPRGKRZSA-N 0 3 260.385 3.199 20 30 CGEDHN C[C@H](NC[C@H]1CCCC2(CCC2)O1)c1cc(C#N)ccn1 ZINC000927013719 638831522 /nfs/dbraw/zinc/83/15/22/638831522.db2.gz YHBCNDKIQWDYSS-DZGCQCFKSA-N 0 3 285.391 3.096 20 30 CGEDHN CC(C)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000927071748 638838517 /nfs/dbraw/zinc/83/85/17/638838517.db2.gz UKYGARLSLJMYMB-DYVFJYSZSA-N 0 3 282.391 3.340 20 30 CGEDHN C=CCC[C@H](NCCOC1CCOCC1)c1ccco1 ZINC000927078095 638838743 /nfs/dbraw/zinc/83/87/43/638838743.db2.gz DUQZIKOVSMCYKU-HNNXBMFYSA-N 0 3 279.380 3.072 20 30 CGEDHN Cc1cc([C@@H]2CCCN2CC2CCC(C#N)CC2)no1 ZINC000929184457 638906313 /nfs/dbraw/zinc/90/63/13/638906313.db2.gz ACJHLKCIWZLOGW-XUJLQICISA-N 0 3 273.380 3.450 20 30 CGEDHN CCS[C@@H]1CC[C@H](N(C)Cc2cncc(C#N)c2)C1 ZINC000929751358 638947016 /nfs/dbraw/zinc/94/70/16/638947016.db2.gz TVHOJXKUYYHHHV-LSDHHAIUSA-N 0 3 275.421 3.059 20 30 CGEDHN CC(C)C[C@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000929830764 638955058 /nfs/dbraw/zinc/95/50/58/638955058.db2.gz AOEKIFHUGNCHCS-CQSZACIVSA-N 0 3 257.381 3.211 20 30 CGEDHN C[C@@]1(NCc2cncc(C#N)c2)CCCc2ccccc21 ZINC000929970562 638965690 /nfs/dbraw/zinc/96/56/90/638965690.db2.gz FHTNIEDCNCQBOM-GOSISDBHSA-N 0 3 277.371 3.295 20 30 CGEDHN Cc1cccc([C@H](C)NCc2cncc(C#N)c2)c1C ZINC000930224761 638984610 /nfs/dbraw/zinc/98/46/10/638984610.db2.gz QRYSKLWRUTVGFI-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)[C@H](C)[C@@H](C)O1 ZINC000930251010 638986111 /nfs/dbraw/zinc/98/61/11/638986111.db2.gz HYCQMDQDJHOYIY-RBSFLKMASA-N 0 3 264.413 3.348 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CCCCC[C@@H]2CCO)c1 ZINC000930370515 638993574 /nfs/dbraw/zinc/99/35/74/638993574.db2.gz HPKQGWIPKGQIFU-MRXNPFEDSA-N 0 3 292.810 3.339 20 30 CGEDHN COc1cccc2c1CN(CC1CCC(C#N)CC1)CC2 ZINC000930646032 639045776 /nfs/dbraw/zinc/04/57/76/639045776.db2.gz BMYGTPCVXMCVOB-UHFFFAOYSA-N 0 3 284.403 3.383 20 30 CGEDHN C=CCCCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931793386 639206045 /nfs/dbraw/zinc/20/60/45/639206045.db2.gz BKIRUUXYCGFRNT-KRWDZBQOSA-N 0 3 267.376 3.323 20 30 CGEDHN N#CCC1(CN2CCC[C@@H](Cc3nccs3)C2)CC1 ZINC000932198622 639293243 /nfs/dbraw/zinc/29/32/43/639293243.db2.gz UDQRSMPVAZBQCW-ZDUSSCGKSA-N 0 3 275.421 3.091 20 30 CGEDHN CC(C)CN(Cc1ccccn1)CC1(CC#N)CC1 ZINC000932448844 639335546 /nfs/dbraw/zinc/33/55/46/639335546.db2.gz XNBVCWCYSPFECP-UHFFFAOYSA-N 0 3 257.381 3.233 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000932721817 639376441 /nfs/dbraw/zinc/37/64/41/639376441.db2.gz BHZAJENKAHVIOE-HNNXBMFYSA-N 0 3 280.456 3.168 20 30 CGEDHN N#Cc1ccccc1CN1CCC[C@H](C2CCOCC2)C1 ZINC000933081142 639412433 /nfs/dbraw/zinc/41/24/33/639412433.db2.gz GJKFJDICEDIDIL-KRWDZBQOSA-N 0 3 284.403 3.197 20 30 CGEDHN CN(CCc1ccc2c(c1)CCO2)Cc1cc(C#N)cs1 ZINC000933776820 639489225 /nfs/dbraw/zinc/48/92/25/639489225.db2.gz AZZMDOLZWGIXJR-UHFFFAOYSA-N 0 3 298.411 3.229 20 30 CGEDHN C(#Cc1ccccc1)CN[C@H]1CCOC12CCCCC2 ZINC000933871831 639500917 /nfs/dbraw/zinc/50/09/17/639500917.db2.gz SSVBSGLBQVKLEP-KRWDZBQOSA-N 0 3 269.388 3.120 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cc(=O)oc2cc(C)ccc12 ZINC000934465113 639613171 /nfs/dbraw/zinc/61/31/71/639613171.db2.gz CLWQWFVTMVLOHK-CQSZACIVSA-N 0 3 269.344 3.252 20 30 CGEDHN N#CCc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000934699283 639660676 /nfs/dbraw/zinc/66/06/76/639660676.db2.gz UBVDXOUILOLJSS-GOSISDBHSA-N 0 3 277.371 3.389 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001006479348 640487006 /nfs/dbraw/zinc/48/70/06/640487006.db2.gz XFTQKPGOSXHCDJ-UHFFFAOYSA-N 0 3 292.467 3.168 20 30 CGEDHN C#CCN(CCO[C@@H]1CCCCO1)[C@H]1CCc2ccccc21 ZINC000249728304 640807013 /nfs/dbraw/zinc/80/70/13/640807013.db2.gz VBPAMCVCJPBIHX-RBUKOAKNSA-N 0 3 299.414 3.152 20 30 CGEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2sccc2F)C1 ZINC001007281425 640854911 /nfs/dbraw/zinc/85/49/11/640854911.db2.gz RMMRTWCRBKRTDG-LBPRGKRZSA-N 0 3 296.411 3.048 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001015380207 640979045 /nfs/dbraw/zinc/97/90/45/640979045.db2.gz ZAHZFWFSOUUNEQ-INIZCTEOSA-N 0 3 298.430 3.253 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001016181028 640994740 /nfs/dbraw/zinc/99/47/40/640994740.db2.gz OKTGROCHBXXBTK-ZDUSSCGKSA-N 0 3 290.432 3.006 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001018197210 641020370 /nfs/dbraw/zinc/02/03/70/641020370.db2.gz ITCISSNDRUDZAH-KGASUQACSA-N 0 3 290.451 3.064 20 30 CGEDHN N#Cc1ccc([C@H](NCC2CCCCCCC2)C(N)=O)cc1 ZINC000115597793 641021818 /nfs/dbraw/zinc/02/18/18/641021818.db2.gz ITRUFJWORDEZAM-KRWDZBQOSA-N 0 3 299.418 3.035 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001020173913 641040988 /nfs/dbraw/zinc/04/09/88/641040988.db2.gz KXJMQRDJWYDVNM-XDQVBPFNSA-N 0 3 298.858 3.048 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1(CC=C)CCCCC1 ZINC001156678408 805725499 /nfs/dbraw/zinc/72/54/99/805725499.db2.gz BGHUQIFQIHBZPH-UHFFFAOYSA-N 0 3 292.467 3.479 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)CCC ZINC001158673273 805982569 /nfs/dbraw/zinc/98/25/69/805982569.db2.gz ITKQWFODFILBPG-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1CCC=CCC1 ZINC001158866145 806015179 /nfs/dbraw/zinc/01/51/79/806015179.db2.gz LRBSAUXHSMECSU-QGZVFWFLSA-N 0 3 290.451 3.232 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCN(CCC)CC1 ZINC001252130140 806015457 /nfs/dbraw/zinc/01/54/57/806015457.db2.gz LTWNZJYHIJCESV-KRWDZBQOSA-N 0 3 284.488 3.126 20 30 CGEDHN C=CCOC[C@H](O)CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC001252472902 806048263 /nfs/dbraw/zinc/04/82/63/806048263.db2.gz CFQMDVGKZITEOY-HZPDHXFCSA-N 0 3 295.810 3.040 20 30 CGEDHN N#Cc1cnn(-c2ccc(Cl)cc2)c1NC1=CNCCC1 ZINC001159268426 806072153 /nfs/dbraw/zinc/07/21/53/806072153.db2.gz MTADCTQBAWOKQD-UHFFFAOYSA-N 0 3 299.765 3.034 20 30 CGEDHN C=CCC[C@H](O)CNCc1cccc(C(F)(F)F)c1F ZINC001252611690 806088783 /nfs/dbraw/zinc/08/87/83/806088783.db2.gz DFSWMJBPAIUMCG-NSHDSACASA-N 0 3 291.288 3.261 20 30 CGEDHN N#Cc1ccc(C2(NC[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001252864065 806136013 /nfs/dbraw/zinc/13/60/13/806136013.db2.gz VEWYTIKFBMPRAA-KRWDZBQOSA-N 0 3 296.345 3.010 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1cccc(C)n1 ZINC001253226924 806184335 /nfs/dbraw/zinc/18/43/35/806184335.db2.gz CHGDUWCKXDIOSK-QGZVFWFLSA-N 0 3 276.424 3.367 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1C[C@@H](C)[C@@H](F)C1 ZINC001253234315 806188139 /nfs/dbraw/zinc/18/81/39/806188139.db2.gz YUEGCQGCAKDFKN-KFWWJZLASA-N 0 3 257.393 3.164 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN1CC(N2CCCCC2)C1 ZINC001253240317 806189905 /nfs/dbraw/zinc/18/99/05/806189905.db2.gz IZUKEPQRIULFKG-GOSISDBHSA-N 0 3 294.483 3.044 20 30 CGEDHN C=C[C@@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC001253579185 806263547 /nfs/dbraw/zinc/26/35/47/806263547.db2.gz NLXABFVAYLCYAF-BXUZGUMPSA-N 0 3 251.757 3.024 20 30 CGEDHN Cc1ccncc1[C@@H](C)NCc1cccc(OCC#N)c1 ZINC001254110742 806344035 /nfs/dbraw/zinc/34/40/35/806344035.db2.gz QCSOKIXKVQXQGN-CQSZACIVSA-N 0 3 281.359 3.143 20 30 CGEDHN C=CCN(C(=O)[C@@H](N)CC1CCCC1)C1CCCCC1 ZINC001161247715 806360280 /nfs/dbraw/zinc/36/02/80/806360280.db2.gz HVAUVERUJVKURR-INIZCTEOSA-N 0 3 278.440 3.241 20 30 CGEDHN N#CC1(c2ccc(F)cc2)CCC(NCc2cocn2)CC1 ZINC001254347128 806382460 /nfs/dbraw/zinc/38/24/60/806382460.db2.gz BXEXVZIPQVURDG-UHFFFAOYSA-N 0 3 299.349 3.307 20 30 CGEDHN Cc1cccc2c1[C@H](N[C@H]1CC[C@H](C#N)C1)CCO2 ZINC001254636755 806466939 /nfs/dbraw/zinc/46/69/39/806466939.db2.gz ZWPYILWEHLXVGM-MELADBBJSA-N 0 3 256.349 3.101 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cc3cccc(OC)c3o2)C1 ZINC001254645821 806470092 /nfs/dbraw/zinc/47/00/92/806470092.db2.gz RPOVXVMEJCUOFF-AWEZNQCLSA-N 0 3 287.359 3.218 20 30 CGEDHN N#C[C@H]1CC[C@H](N[C@@H](CCO)c2ccc(Cl)cc2)C1 ZINC001254646821 806471319 /nfs/dbraw/zinc/47/13/19/806471319.db2.gz OZWRNWGGSMIOQF-CQDKDKBSSA-N 0 3 278.783 3.045 20 30 CGEDHN COc1ccccc1C(C)(C)N[C@@H]1CC[C@@H](C#N)C1 ZINC001254649761 806473005 /nfs/dbraw/zinc/47/30/05/806473005.db2.gz QOUGXLGTQQVDAQ-CHWSQXEVSA-N 0 3 258.365 3.212 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC001255019621 806527588 /nfs/dbraw/zinc/52/75/88/806527588.db2.gz RURCURBEVGMFDT-CZUORRHYSA-N 0 3 285.391 3.032 20 30 CGEDHN CC[C@@H](CC#N)n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001255156223 806556661 /nfs/dbraw/zinc/55/66/61/806556661.db2.gz GIHNMLXJXMHSPB-JSGCOSHPSA-N 0 3 268.364 3.435 20 30 CGEDHN CC[C@@H](CC#N)NC(C)(C)Cc1ccccc1OC ZINC001255162515 806561753 /nfs/dbraw/zinc/56/17/53/806561753.db2.gz RVMIJTRCBSUSGT-AWEZNQCLSA-N 0 3 260.381 3.298 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)C2(C(C)C)CC2)CC1 ZINC001167147813 807162510 /nfs/dbraw/zinc/16/25/10/807162510.db2.gz BMKLTLDNWLWYMA-UHFFFAOYSA-N 0 3 298.858 3.051 20 30 CGEDHN N#CC(C(=O)CCCOc1cccc(F)c1)c1ccccn1 ZINC000125469631 799001620 /nfs/dbraw/zinc/00/16/20/799001620.db2.gz NSTSRDWDPPLQBP-OAHLLOKOSA-N 0 3 298.317 3.256 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(Br)c(C)c1 ZINC000381341198 799377983 /nfs/dbraw/zinc/37/79/83/799377983.db2.gz XRFMGDWGESDTRK-LBPRGKRZSA-N 0 3 284.197 3.048 20 30 CGEDHN C=CCOCCN[C@H]1CCSc2c(F)cccc21 ZINC000385416802 799426231 /nfs/dbraw/zinc/42/62/31/799426231.db2.gz AFFKQFMYUBMQRC-ZDUSSCGKSA-N 0 3 267.369 3.155 20 30 CGEDHN Cc1c(CN[C@H](C)CC(C)(C)C#N)cccc1[N+](=O)[O-] ZINC000695843736 799836603 /nfs/dbraw/zinc/83/66/03/799836603.db2.gz RBMOHNQJCYHUGM-LLVKDONJSA-N 0 3 275.352 3.321 20 30 CGEDHN C#C[C@H](NCc1cc(COC)cs1)C(C)(C)C ZINC000702241456 799905610 /nfs/dbraw/zinc/90/56/10/799905610.db2.gz MSPHRLDMOICYSX-ZDUSSCGKSA-N 0 3 251.395 3.032 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(F)c(F)c1 ZINC000709975926 800025007 /nfs/dbraw/zinc/02/50/07/800025007.db2.gz MEBTUJDKSKUKRN-SNVBAGLBSA-N 0 3 252.308 3.383 20 30 CGEDHN N#Cc1cncc(CN2CCC3(CCCCC3)CC2)c1 ZINC000721573165 800294891 /nfs/dbraw/zinc/29/48/91/800294891.db2.gz SIPHFNLLZBIEGZ-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@]1(C)CC1(F)F ZINC000850379866 800517699 /nfs/dbraw/zinc/51/76/99/800517699.db2.gz ZFGNWNRVQHEFJN-AWEZNQCLSA-N 0 3 299.748 3.487 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745178 800734914 /nfs/dbraw/zinc/73/49/14/800734914.db2.gz PRPCIKYNOIJWLH-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001028017109 800827623 /nfs/dbraw/zinc/82/76/23/800827623.db2.gz QLDSWQFWEASZAD-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001028350192 800845020 /nfs/dbraw/zinc/84/50/20/800845020.db2.gz ZVXNSXOTTMTYTR-AWEZNQCLSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCC)c1ccccc1 ZINC001032797178 800935836 /nfs/dbraw/zinc/93/58/36/800935836.db2.gz MCTPOOIUYMJSND-BZSNNMDCSA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C2CC2)c1 ZINC001032808868 800937156 /nfs/dbraw/zinc/93/71/56/800937156.db2.gz UQTSGBDLWHBFDJ-ROUUACIJSA-N 0 3 296.414 3.039 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033076066 800953221 /nfs/dbraw/zinc/95/32/21/800953221.db2.gz KYFRGTLZNRPTCP-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252792 800955393 /nfs/dbraw/zinc/95/53/93/800955393.db2.gz JVZGWNHMWJWPTL-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033605244 800969752 /nfs/dbraw/zinc/96/97/52/800969752.db2.gz ZNGHQDGCQYXMCF-CYBMUJFWSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016296 800993628 /nfs/dbraw/zinc/99/36/28/800993628.db2.gz HHQGCXIVIZTVJU-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001034089633 801004257 /nfs/dbraw/zinc/00/42/57/801004257.db2.gz HHRZVTWDQZRFFP-MRXNPFEDSA-N 0 3 286.419 3.155 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001034193847 801010298 /nfs/dbraw/zinc/01/02/98/801010298.db2.gz JAQAFIDAOQHLCU-HNNXBMFYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001034317138 801017021 /nfs/dbraw/zinc/01/70/21/801017021.db2.gz ZJBFJUNKLGZQMS-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001034389931 801024476 /nfs/dbraw/zinc/02/44/76/801024476.db2.gz AHJRLCSUMNBDSK-KGLIPLIRSA-N 0 3 292.448 3.008 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034477695 801027715 /nfs/dbraw/zinc/02/77/15/801027715.db2.gz PDHQQVIVOLZTFG-HZPDHXFCSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039059000 801143892 /nfs/dbraw/zinc/14/38/92/801143892.db2.gz CREXQNZPRHXJPG-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CCCCCC3)C[C@@H]21 ZINC001041974186 801198606 /nfs/dbraw/zinc/19/86/06/801198606.db2.gz ZPCSRQOKNZHLEI-WBVHZDCISA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2csc(C)c2C)CC1 ZINC001045450312 801275927 /nfs/dbraw/zinc/27/59/27/801275927.db2.gz MIEXFLMHNCNEPN-UHFFFAOYSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001045485586 801276037 /nfs/dbraw/zinc/27/60/37/801276037.db2.gz GLVKMXZSIOPSNR-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176617 801303698 /nfs/dbraw/zinc/30/36/98/801303698.db2.gz BRKVMCATOQVYGE-QGZVFWFLSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001046337677 801309146 /nfs/dbraw/zinc/30/91/46/801309146.db2.gz ATORBNSXZKSYAH-WMZOPIPTSA-N 0 3 290.451 3.280 20 30 CGEDHN C[C@@H]1CN(c2cc(F)ccc2C#N)CCN1C1CCCC1 ZINC001164145829 806901364 /nfs/dbraw/zinc/90/13/64/806901364.db2.gz HQOQFWKCAFDUSL-CYBMUJFWSA-N 0 3 287.382 3.150 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCCCC1 ZINC001049696021 801384735 /nfs/dbraw/zinc/38/47/35/801384735.db2.gz WZOJFRXOPVXURQ-HZPDHXFCSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CCCC1 ZINC001049814824 801388824 /nfs/dbraw/zinc/38/88/24/801388824.db2.gz BCMKGUIHVHGNGD-JKSUJKDBSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(C)c2)CC[C@H]1C ZINC001071317240 801526746 /nfs/dbraw/zinc/52/67/46/801526746.db2.gz QCEBRVPGCXJKFK-NVXWUHKLSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2C)CC[C@H]1C ZINC001071319759 801527783 /nfs/dbraw/zinc/52/77/83/801527783.db2.gz UQFANJBKUFHOCW-CVEARBPZSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071322137 801528799 /nfs/dbraw/zinc/52/87/99/801528799.db2.gz TZPDZFHCLZAKIH-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457993 801537323 /nfs/dbraw/zinc/53/73/23/801537323.db2.gz OVHVMYALXWPLOM-DOTOQJQBSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(CC=C(C)C)C2)C1 ZINC001071804159 801553649 /nfs/dbraw/zinc/55/36/49/801553649.db2.gz XQZHKEXNUCJCFG-CVEARBPZSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(C)C)cc3)C2)C1 ZINC001073146475 801579851 /nfs/dbraw/zinc/57/98/51/801579851.db2.gz SWEBILUIGMSSFM-UHFFFAOYSA-N 0 3 298.430 3.144 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3(C)CCCCC3)[C@@H]2C1 ZINC001076021103 801614151 /nfs/dbraw/zinc/61/41/51/801614151.db2.gz ABSPNFKPMGKPID-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085857237 801710305 /nfs/dbraw/zinc/71/03/05/801710305.db2.gz TXAMCLYSKUYPDO-NSHDSACASA-N 0 3 298.839 3.124 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940611 801711668 /nfs/dbraw/zinc/71/16/68/801711668.db2.gz KSCWZVKKUDOYJR-OAHLLOKOSA-N 0 3 292.810 3.062 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001086450393 801728276 /nfs/dbraw/zinc/72/82/76/801728276.db2.gz SOQDUYAOBGAFDZ-IHRRRGAJSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2C)C1 ZINC001086461669 801728926 /nfs/dbraw/zinc/72/89/26/801728926.db2.gz ARBXOCHMDVRPIC-CYUUQNCZSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1CC ZINC001087845872 801771722 /nfs/dbraw/zinc/77/17/22/801771722.db2.gz WLBKSFQAEWEARD-SSHXOBKSSA-N 0 3 292.467 3.214 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2CC(C)C2)C1 ZINC001088293597 801781763 /nfs/dbraw/zinc/78/17/63/801781763.db2.gz AVIKETPCDARLIJ-PESDSKBTSA-N 0 3 298.858 3.146 20 30 CGEDHN C=C1CCC(C(=O)N2CCCCC[C@@H](NCCF)C2)CC1 ZINC001088375076 801788325 /nfs/dbraw/zinc/78/83/25/801788325.db2.gz WLRMYQWFABKTMV-MRXNPFEDSA-N 0 3 296.430 3.063 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565214 801802566 /nfs/dbraw/zinc/80/25/66/801802566.db2.gz HDSISZFKAZKJDQ-OAGGEKHMSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCCC1)C2 ZINC001095607040 801885835 /nfs/dbraw/zinc/88/58/35/801885835.db2.gz NNCURWJZCWZSRP-YVSFHVDLSA-N 0 3 288.435 3.030 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC1(C)C)C2 ZINC001095885040 801886277 /nfs/dbraw/zinc/88/62/77/801886277.db2.gz MZKNYYPUKLWYQU-UGUYLWEFSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C)c1C)C2 ZINC001098315534 801909149 /nfs/dbraw/zinc/90/91/49/801909149.db2.gz AGRSVDRAZNZDED-NXHRZFHOSA-N 0 3 298.430 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001098888375 801917951 /nfs/dbraw/zinc/91/79/51/801917951.db2.gz MOTRFULKIUXAGJ-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)C=C ZINC001099094052 801927795 /nfs/dbraw/zinc/92/77/95/801927795.db2.gz WNUHJJOJTCTPDX-HNNXBMFYSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001099098210 801928752 /nfs/dbraw/zinc/92/87/52/801928752.db2.gz LXIQCQVHYMUVLI-HNNXBMFYSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C(=C)C ZINC001099171493 801930685 /nfs/dbraw/zinc/93/06/85/801930685.db2.gz QHBGODRHQXWLBX-HNNXBMFYSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CC2CC(C)(C)C2)C1 ZINC001100604648 801955861 /nfs/dbraw/zinc/95/58/61/801955861.db2.gz RWCDDLQTMBITJO-UHFFFAOYSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC2(C)CC2)C1 ZINC001103244270 802028827 /nfs/dbraw/zinc/02/88/27/802028827.db2.gz PTFREJUCSIFSME-TZMCWYRMSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CC(C)C)C2 ZINC001111266387 802158107 /nfs/dbraw/zinc/15/81/07/802158107.db2.gz CHBUCJUWZMQAFI-VQHPVUNQSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001112599228 802181368 /nfs/dbraw/zinc/18/13/68/802181368.db2.gz GONBEGNRMMAJQH-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001112688318 802185879 /nfs/dbraw/zinc/18/58/79/802185879.db2.gz NJPPTGUWDVRDGH-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=C(C)CCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001112904166 802195544 /nfs/dbraw/zinc/19/55/44/802195544.db2.gz IMDVPMFOFPGZOS-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113390566 802218537 /nfs/dbraw/zinc/21/85/37/802218537.db2.gz JCHVUSZEAVVDAG-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN C=C(C)CN(CC)c1ncccc1CN1CCCC1 ZINC001165141511 806972376 /nfs/dbraw/zinc/97/23/76/806972376.db2.gz KWALWKKZXRTTBI-UHFFFAOYSA-N 0 3 259.397 3.080 20 30 CGEDHN Cc1ccc(N=NC2C[C@@H](C)N(C)C2)cc1Cl ZINC001116276563 802321972 /nfs/dbraw/zinc/32/19/72/802321972.db2.gz UDSLQAQPEXGBJK-SNVBAGLBSA-N 0 3 251.761 3.140 20 30 CGEDHN C=CCCn1cc(CNC(C)(C)C2CCCCC2)nn1 ZINC001118387870 802558111 /nfs/dbraw/zinc/55/81/11/802558111.db2.gz VFRGBMYYTWHMSZ-UHFFFAOYSA-N 0 3 276.428 3.303 20 30 CGEDHN Cc1cnccc1Nc1sc2c(c1C#N)CCCC2 ZINC001174536057 809067187 /nfs/dbraw/zinc/06/71/87/809067187.db2.gz JNEYTITXSCOWQQ-UHFFFAOYSA-N 0 3 269.373 3.368 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN1CC2CCC1CC2)c1ccccc1 ZINC001119309278 802646837 /nfs/dbraw/zinc/64/68/37/802646837.db2.gz URMRAZQSYXQNHK-KVZIAJEVSA-N 0 3 296.414 3.301 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)CCCCC ZINC001176721303 809750317 /nfs/dbraw/zinc/75/03/17/809750317.db2.gz PMBNJQZZOSSWSG-UHFFFAOYSA-N 0 3 288.863 3.441 20 30 CGEDHN CCN(CCCCC1(C#N)CCC1)C[C@@H](O)C(F)(F)F ZINC001119825312 802702018 /nfs/dbraw/zinc/70/20/18/802702018.db2.gz OIOULYXFTVZEQF-GFCCVEGCSA-N 0 3 292.345 3.096 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)C(C)(C)C)CCCCC1 ZINC001120045964 802729086 /nfs/dbraw/zinc/72/90/86/802729086.db2.gz KLFZGZFSCYIPLQ-UHFFFAOYSA-N 0 3 286.847 3.194 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001123234312 802920398 /nfs/dbraw/zinc/92/03/98/802920398.db2.gz UCMVPCSJUVHUKN-MCIONIFRSA-N 0 3 285.391 3.318 20 30 CGEDHN C=CCCC(=O)NCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001124655399 803032664 /nfs/dbraw/zinc/03/26/64/803032664.db2.gz CHDUXEBNKBDSDI-NSHDSACASA-N 0 3 298.789 3.212 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132244914 803387387 /nfs/dbraw/zinc/38/73/87/803387387.db2.gz KXWZRXCDFMUCDL-HOCLYGCPSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CC(=C)C)C2)CCC1 ZINC001132283476 803391479 /nfs/dbraw/zinc/39/14/79/803391479.db2.gz XXHNMPKLPQXPRZ-CVEARBPZSA-N 0 3 290.451 3.278 20 30 CGEDHN C=CCCCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001133154981 803458034 /nfs/dbraw/zinc/45/80/34/803458034.db2.gz ZZPJQGCTBUGHPS-UHFFFAOYSA-N 0 3 298.789 3.041 20 30 CGEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001133883771 803508985 /nfs/dbraw/zinc/50/89/85/803508985.db2.gz GIWWDDVWLRRGRH-HPPFBBELSA-N 0 3 293.238 3.145 20 30 CGEDHN CCc1cc(-c2ccc3c(c2)COC32CNC2)ccc1C#N ZINC001244955005 803590686 /nfs/dbraw/zinc/59/06/86/803590686.db2.gz ZDMZQRUSCUJPFT-UHFFFAOYSA-N 0 3 290.366 3.116 20 30 CGEDHN C=CCN1CCN(Cc2c[nH]c3c2cccc3CC)CC1 ZINC001138360714 803904637 /nfs/dbraw/zinc/90/46/37/803904637.db2.gz AJIGFZUYLXSGLC-UHFFFAOYSA-N 0 3 283.419 3.034 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(-n2ccnc2C)cc1 ZINC001138547237 803964844 /nfs/dbraw/zinc/96/48/44/803964844.db2.gz IKDNECLYXFSAMG-UHFFFAOYSA-N 0 3 267.376 3.355 20 30 CGEDHN COc1ccc2c(CN3CCC[C@@H](CC#N)C3)c[nH]c2c1 ZINC001138588027 803974993 /nfs/dbraw/zinc/97/49/93/803974993.db2.gz KFQSPTWGUQGSSU-ZDUSSCGKSA-N 0 3 283.375 3.302 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(C)(OC)CC2)c1[O-] ZINC001138625640 803982131 /nfs/dbraw/zinc/98/21/31/803982131.db2.gz RIRDDZFRDBQFLA-UHFFFAOYSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1[O-] ZINC001138624351 803983401 /nfs/dbraw/zinc/98/34/01/803983401.db2.gz FEKKTWCPJNTYLP-KGLIPLIRSA-N 0 3 279.330 3.208 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1[O-] ZINC001138624351 803983406 /nfs/dbraw/zinc/98/34/06/803983406.db2.gz FEKKTWCPJNTYLP-KGLIPLIRSA-N 0 3 279.330 3.208 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](OCC)C2)c1[O-] ZINC001138629151 803985097 /nfs/dbraw/zinc/98/50/97/803985097.db2.gz PZLAOYFGAKPJRG-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](OCC)C2)c1[O-] ZINC001138629151 803985099 /nfs/dbraw/zinc/98/50/99/803985099.db2.gz PZLAOYFGAKPJRG-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](OCCC)C2)c1[O-] ZINC001138629286 803986132 /nfs/dbraw/zinc/98/61/32/803986132.db2.gz TXRHADRIIMHGBU-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](OCCC)C2)c1[O-] ZINC001138629286 803986135 /nfs/dbraw/zinc/98/61/35/803986135.db2.gz TXRHADRIIMHGBU-MRXNPFEDSA-N 0 3 275.392 3.122 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1[O-] ZINC001138627862 803986570 /nfs/dbraw/zinc/98/65/70/803986570.db2.gz HEGBOAQXXAMAMN-CQSZACIVSA-N 0 3 270.376 3.246 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1[O-] ZINC001138627862 803986573 /nfs/dbraw/zinc/98/65/73/803986573.db2.gz HEGBOAQXXAMAMN-CQSZACIVSA-N 0 3 270.376 3.246 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](C#N)CC1 ZINC001139029770 804115047 /nfs/dbraw/zinc/11/50/47/804115047.db2.gz MLTXQIRHVMWAMM-OAHLLOKOSA-N 0 3 270.376 3.377 20 30 CGEDHN Cc1ccc(CN2CCC3(CCCO3)CC2)cc1C#N ZINC001139726272 804266456 /nfs/dbraw/zinc/26/64/56/804266456.db2.gz DOFHKSBVQCPVLH-UHFFFAOYSA-N 0 3 270.376 3.012 20 30 CGEDHN C=CCn1cc(CN2CCC[C@H]3CCCC[C@H]32)cn1 ZINC001139772579 804277978 /nfs/dbraw/zinc/27/79/78/804277978.db2.gz LIOJHPFLCVKXII-HZPDHXFCSA-N 0 3 259.397 3.224 20 30 CGEDHN N#Cc1cc(F)cc(CN2CCC3(CCOCC3)CC2)c1 ZINC001139875969 804308421 /nfs/dbraw/zinc/30/84/21/804308421.db2.gz JLKYQXMMDIRWEP-UHFFFAOYSA-N 0 3 288.366 3.090 20 30 CGEDHN O=C1C=C2CN(Cc3cccc4cnccc43)CCC2S1 ZINC001140140833 804386788 /nfs/dbraw/zinc/38/67/88/804386788.db2.gz HBLXGBGSXROURH-MRXNPFEDSA-N 0 3 296.395 3.009 20 30 CGEDHN N#CC1CCN(Cc2ccccc2-c2cccnc2)CC1 ZINC001140314427 804410769 /nfs/dbraw/zinc/41/07/69/804410769.db2.gz YEAQFUWZASZUMR-UHFFFAOYSA-N 0 3 277.371 3.484 20 30 CGEDHN C#CC1CCN(Cc2ccc(OC)c(OCC3CC3)c2)CC1 ZINC001140490860 804447006 /nfs/dbraw/zinc/44/70/06/804447006.db2.gz GJIOYKJBDIWXGS-UHFFFAOYSA-N 0 3 299.414 3.329 20 30 CGEDHN CCCN(Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140543939 804458775 /nfs/dbraw/zinc/45/87/75/804458775.db2.gz VYMGMSQWHYEZTE-UHFFFAOYSA-N 0 3 265.360 3.365 20 30 CGEDHN C[C@@]1(CO)CCCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001140808511 804525781 /nfs/dbraw/zinc/52/57/81/804525781.db2.gz UGYDCHFUSFHRHD-MRXNPFEDSA-N 0 3 292.810 3.196 20 30 CGEDHN C[C@H](N)c1nc2ccccc2n1C1CCC(C#N)CC1 ZINC001256950435 807015263 /nfs/dbraw/zinc/01/52/63/807015263.db2.gz DLHCUYBNHZEGRI-HIFPTAJRSA-N 0 3 268.364 3.311 20 30 CGEDHN N#Cc1c(N)sc(CN2CC[C@H]3CCC[C@@H]3C2)c1Cl ZINC001141106543 804590260 /nfs/dbraw/zinc/59/02/60/804590260.db2.gz BPALWNQJKZNZTC-NXEZZACHSA-N 0 3 295.839 3.477 20 30 CGEDHN C[Si](C)(C)c1ccc(CN2CCC(CC#N)CC2)cc1 ZINC001141732059 804665211 /nfs/dbraw/zinc/66/52/11/804665211.db2.gz ATGDIGKZDHPFND-UHFFFAOYSA-N 0 3 286.495 3.357 20 30 CGEDHN CSc1nc(CN2CC3CCC(CC3)C2)ccc1C#N ZINC001141944086 804682010 /nfs/dbraw/zinc/68/20/10/804682010.db2.gz XBLSUNZCZNKOHR-UHFFFAOYSA-N 0 3 287.432 3.297 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccnc2[nH]ccc21 ZINC001142881430 804779101 /nfs/dbraw/zinc/77/91/01/804779101.db2.gz UICMIBBYDYNMTR-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN N#Cc1ccn2ncc(CN3CCCC4(CCCC4)C3)c2c1 ZINC001249086931 805086673 /nfs/dbraw/zinc/08/66/73/805086673.db2.gz RMNDHPDRLATNBD-UHFFFAOYSA-N 0 3 294.402 3.362 20 30 CGEDHN CC[C@@H]1C[C@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001257113692 807054515 /nfs/dbraw/zinc/05/45/15/807054515.db2.gz JKDPNQVVVPCJFD-BFHYXJOUSA-N 0 3 295.427 3.056 20 30 CGEDHN Cn1ccc(CNC2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001257010666 807026156 /nfs/dbraw/zinc/02/61/56/807026156.db2.gz FHIHQJLYDVGPIK-UHFFFAOYSA-N 0 3 294.402 3.108 20 30 CGEDHN C=C(C)CCN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167412709 807191091 /nfs/dbraw/zinc/19/10/91/807191091.db2.gz QEBTXJTXXPZZRZ-KBPBESRZSA-N 0 3 282.428 3.282 20 30 CGEDHN C=C1C[C@@H]2CC(NCc3nccc(C)n3)C[C@H](C1)C2 ZINC001257887307 807238893 /nfs/dbraw/zinc/23/88/93/807238893.db2.gz OJYMITYMXCDQCH-YIONKMFJSA-N 0 3 257.381 3.010 20 30 CGEDHN C=CCCCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001167784473 807250339 /nfs/dbraw/zinc/25/03/39/807250339.db2.gz JDFYTDADDFXFFX-SFHVURJKSA-N 0 3 283.419 3.225 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(C(C)=O)[C@@H](C)C1 ZINC001258049206 807275721 /nfs/dbraw/zinc/27/57/21/807275721.db2.gz BNCIYVZLCQBSCT-GJZGRUSLSA-N 0 3 268.445 3.288 20 30 CGEDHN CCCCCCC[C@H](C)N1Cc2ccnn2CC[C@H]1CO ZINC001258050765 807277435 /nfs/dbraw/zinc/27/74/35/807277435.db2.gz XTYRYBZKFVRRLR-RDJZCZTQSA-N 0 3 293.455 3.199 20 30 CGEDHN C=C[C@@H](N[C@@H](C)CC(=O)N(CC)CC)c1ccccc1 ZINC001169456515 807645993 /nfs/dbraw/zinc/64/59/93/807645993.db2.gz KNNAQJIBHXUGNL-GOEBONIOSA-N 0 3 274.408 3.150 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cc(F)cc(F)c3C2)CCCC1 ZINC001170654778 807869278 /nfs/dbraw/zinc/86/92/78/807869278.db2.gz KIAUNCIFPMXCDL-CQSZACIVSA-N 0 3 290.357 3.496 20 30 CGEDHN C=CCC[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001262654219 807887633 /nfs/dbraw/zinc/88/76/33/807887633.db2.gz APYSOZIZHAKRPH-QGZVFWFLSA-N 0 3 286.419 3.319 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC1(c2cccc(F)c2)CCC1 ZINC001263134854 807935306 /nfs/dbraw/zinc/93/53/06/807935306.db2.gz FYPKVIMRPUWFMH-HNNXBMFYSA-N 0 3 290.382 3.005 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2c(C)cc(C#N)cc2C)n1 ZINC001263284028 807943268 /nfs/dbraw/zinc/94/32/68/807943268.db2.gz SCFCQVNNEBXQEU-ZDUSSCGKSA-N 0 3 295.367 3.430 20 30 CGEDHN N#CC[C@H]1CCCN([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171493040 808075830 /nfs/dbraw/zinc/07/58/30/808075830.db2.gz LIJRLEAFIJJBOC-IUODEOHRSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)/C=C\C(C)(C)C)CC1 ZINC001265337552 808132673 /nfs/dbraw/zinc/13/26/73/808132673.db2.gz NKUCXMDCEXUTPH-FLIBITNWSA-N 0 3 292.467 3.478 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCCCN(C)Cc1ccsc1 ZINC001265917354 808193129 /nfs/dbraw/zinc/19/31/29/808193129.db2.gz LGPNMCUQCJQEMP-MRXNPFEDSA-N 0 3 294.464 3.289 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001266280497 808237007 /nfs/dbraw/zinc/23/70/07/808237007.db2.gz HPTYLPSHYVFQDR-JCYILVPMSA-N 0 3 294.483 3.463 20 30 CGEDHN C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001266651883 808302331 /nfs/dbraw/zinc/30/23/31/808302331.db2.gz LGBUEONPZVTEDF-UMXODINHSA-N 0 3 296.842 3.207 20 30 CGEDHN C=C1CC(C)(C(=O)N2CCCC[C@@H]2CNC[C@H](F)CC)C1 ZINC001266877059 808328144 /nfs/dbraw/zinc/32/81/44/808328144.db2.gz BIGRRDVODPKOQM-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN N#CC[C@@H]1CCCN([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722234 808419308 /nfs/dbraw/zinc/41/93/08/808419308.db2.gz RSBJDMJPXLLJQF-LRDDRELGSA-N 0 3 274.795 3.433 20 30 CGEDHN C=C1CC(C)(C(=O)NCC2CN(CC/C=C\CCC)C2)C1 ZINC001267693082 808472941 /nfs/dbraw/zinc/47/29/41/808472941.db2.gz SIBRZJVUHDJSJP-SREVYHEPSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H](C)CC(C)C)C1 ZINC001267778223 808490103 /nfs/dbraw/zinc/49/01/03/808490103.db2.gz YAYGXVNYWJUBAA-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN CCc1ccc(C[C@@H](C)NC(=N)c2ccc(F)cn2)cc1 ZINC001173236060 808544339 /nfs/dbraw/zinc/54/43/39/808544339.db2.gz ROCBNFBIGBTHKW-GFCCVEGCSA-N 0 3 285.366 3.120 20 30 CGEDHN CCSC[C@@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001173299376 808599732 /nfs/dbraw/zinc/59/97/32/808599732.db2.gz GEWSZWYZJRQYOI-GFCCVEGCSA-N 0 3 260.406 3.058 20 30 CGEDHN CCSC[C@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001173300643 808599906 /nfs/dbraw/zinc/59/99/06/808599906.db2.gz MPUAOZLYPBNJCL-LBPRGKRZSA-N 0 3 260.406 3.058 20 30 CGEDHN C=CCOC1CCC(NCc2csc(C)n2)CC1 ZINC001173308734 808604994 /nfs/dbraw/zinc/60/49/94/808604994.db2.gz MHRHCFDTVZRYOG-UHFFFAOYSA-N 0 3 266.410 3.055 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001269229303 808658384 /nfs/dbraw/zinc/65/83/84/808658384.db2.gz GWAOWXUEBUSOKJ-UONOGXRCSA-N 0 3 290.407 3.001 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](CC)CCCCC)C1 ZINC001269296801 808665211 /nfs/dbraw/zinc/66/52/11/808665211.db2.gz RKWNCWWAOJEVAT-IAGOWNOFSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C(C)(C)CC(C)C ZINC001269331000 808670358 /nfs/dbraw/zinc/67/03/58/808670358.db2.gz HNLQEGJMQOOXFL-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001269352978 808673674 /nfs/dbraw/zinc/67/36/74/808673674.db2.gz YDTXDXDRIYPFLT-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001271008109 808758976 /nfs/dbraw/zinc/75/89/76/808758976.db2.gz URNGZYYVVWGTHV-FUHWJXTLSA-N 0 3 294.483 3.463 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(CC)c(CC)c1 ZINC001272186132 808800182 /nfs/dbraw/zinc/80/01/82/808800182.db2.gz XYDPERWPRCDSRO-UHFFFAOYSA-N 0 3 288.435 3.001 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001273464354 808846832 /nfs/dbraw/zinc/84/68/32/808846832.db2.gz BPTFCULNHWPCDX-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)C3(C)CCC3)cc2C1 ZINC001274036661 808868055 /nfs/dbraw/zinc/86/80/55/808868055.db2.gz PDNWCHDPCVNNIX-UHFFFAOYSA-N 0 3 298.430 3.385 20 30 CGEDHN C=CCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001274974036 808895141 /nfs/dbraw/zinc/89/51/41/808895141.db2.gz CNCKDUPXRNIVFS-CALCHBBNSA-N 0 3 273.424 3.020 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC001275671810 808956940 /nfs/dbraw/zinc/95/69/40/808956940.db2.gz DHPBRRNHZXYASK-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN(C)C[C@@H](C)NC(=O)CCCc1ccc(C)s1 ZINC001275736938 808961185 /nfs/dbraw/zinc/96/11/85/808961185.db2.gz DAHIBXSCBVSJJO-CYBMUJFWSA-N 0 3 294.464 3.002 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@H](CC)C(C)C)C1 ZINC001276453759 809010000 /nfs/dbraw/zinc/01/00/00/809010000.db2.gz POXJQSZZJGPBRU-GJZGRUSLSA-N 0 3 280.456 3.071 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](CCC)C(C)C)C(C)(C)C1 ZINC001282823653 809265396 /nfs/dbraw/zinc/26/53/96/809265396.db2.gz WUQWXBDFHHUBBR-HOTGVXAUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@H](NC/C=C/Cl)C(C)(C)C1 ZINC001284291315 809303249 /nfs/dbraw/zinc/30/32/49/809303249.db2.gz BVUZKRYKGUBHKZ-GWJCSSMESA-N 0 3 298.858 3.168 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCC1=CCN(CC=C(C)C)CC1 ZINC001284950080 809321277 /nfs/dbraw/zinc/32/12/77/809321277.db2.gz ZUBJPKVARNITRN-MRXNPFEDSA-N 0 3 290.451 3.303 20 30 CGEDHN CN1CCC=C(Nc2sc3c(c2C#N)CCCC3)C1 ZINC001175574122 809456291 /nfs/dbraw/zinc/45/62/91/809456291.db2.gz MPVCSUXSPIEFSM-UHFFFAOYSA-N 0 3 273.405 3.130 20 30 CGEDHN CN1CCC=C(Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC001175580150 809460041 /nfs/dbraw/zinc/46/00/41/809460041.db2.gz VIIQDCMLPRPUIG-UHFFFAOYSA-N 0 3 255.365 3.119 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1CCC ZINC001297372915 809516393 /nfs/dbraw/zinc/51/63/93/809516393.db2.gz IXANHTIUIPGFIZ-UHFFFAOYSA-N 0 3 288.435 3.219 20 30 CGEDHN CCCCCCCCC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC001300704121 809572512 /nfs/dbraw/zinc/57/25/12/809572512.db2.gz AXTFVNCYAGQOTQ-OAHLLOKOSA-N 0 3 268.445 3.290 20 30 CGEDHN C#C[C@@H]1CCCCN1CCSc1cccc(OC)c1 ZINC001176833441 809763750 /nfs/dbraw/zinc/76/37/50/809763750.db2.gz WOZIRRBIVSQDMG-CQSZACIVSA-N 0 3 275.417 3.275 20 30 CGEDHN CCCCCCC[C@@H](C)C(=O)N1CC(C)(N(C)C)C1 ZINC001181122661 810038837 /nfs/dbraw/zinc/03/88/37/810038837.db2.gz NIAMFENIBHXTMT-CQSZACIVSA-N 0 3 268.445 3.146 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)CCCCCC)[C@@H]2C1 ZINC001189506930 810573786 /nfs/dbraw/zinc/57/37/86/810573786.db2.gz NEWCHFQDQNAXKS-IXDOHACOSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCCNC(=O)NC[C@H]1CCCCN1C ZINC001191074039 810670459 /nfs/dbraw/zinc/67/04/59/810670459.db2.gz BDIYQNNZBHAQQK-OAHLLOKOSA-N 0 3 283.460 3.130 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001191684372 810730416 /nfs/dbraw/zinc/73/04/16/810730416.db2.gz QFGTXHKBLFHSAX-HNNXBMFYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC001192326977 810787211 /nfs/dbraw/zinc/78/72/11/810787211.db2.gz VZSKYTUCAGWOAZ-RLGIIYIFSA-N 0 3 298.430 3.199 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@H](OC)C1CCCC1 ZINC001194165453 811024791 /nfs/dbraw/zinc/02/47/91/811024791.db2.gz SICLTKJWMUAAAY-SFHVURJKSA-N 0 3 271.404 3.327 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194326367 811052251 /nfs/dbraw/zinc/05/22/51/811052251.db2.gz OOYQXWZFDJFKIC-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001196854818 811375891 /nfs/dbraw/zinc/37/58/91/811375891.db2.gz UKNCMLWUGCSBKI-PRJTXATQSA-N 0 3 292.467 3.335 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001196880502 811375956 /nfs/dbraw/zinc/37/59/56/811375956.db2.gz LFLGXGKRJOKFPM-DKRLNXSXSA-N 0 3 292.467 3.479 20 30 CGEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC001197701244 811447195 /nfs/dbraw/zinc/44/71/95/811447195.db2.gz GCMUGNBEOSAARX-OLZOCXBDSA-N 0 3 290.794 3.012 20 30 CGEDHN CCCCCCCN1CCC(F)(C(=O)OCC)CC1 ZINC001201776852 811964710 /nfs/dbraw/zinc/96/47/10/811964710.db2.gz ODSOPZBDNPYKPV-UHFFFAOYSA-N 0 3 273.392 3.324 20 30 CGEDHN CCCCCCCN1CCN(c2ccc(OC)cn2)CC1 ZINC001201797682 811966366 /nfs/dbraw/zinc/96/63/66/811966366.db2.gz CPZAJFKNBWHSAP-UHFFFAOYSA-N 0 3 291.439 3.183 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)/C=C(\C)CC)C12CCC2 ZINC001202845853 812187105 /nfs/dbraw/zinc/18/71/05/812187105.db2.gz FMFUBJKGOFQEFD-GELOPOQCSA-N 0 3 296.842 3.112 20 30 CGEDHN Cc1cc(CNCc2ccc(CC#N)cc2)ccc1C#N ZINC001202964469 812211877 /nfs/dbraw/zinc/21/18/77/812211877.db2.gz NDVHVVCTXVNWPE-UHFFFAOYSA-N 0 3 275.355 3.223 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001203340947 812314986 /nfs/dbraw/zinc/31/49/86/812314986.db2.gz NCEGMSKJHGPKKS-ZIAGYGMSSA-N 0 3 296.842 3.112 20 30 CGEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2csc(C#N)c2)C1(C)C ZINC001204359816 812620732 /nfs/dbraw/zinc/62/07/32/812620732.db2.gz RJIZUIPUZXPCHH-HIFRSBDPSA-N 0 3 278.421 3.255 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204431992 812635914 /nfs/dbraw/zinc/63/59/14/812635914.db2.gz JJFUUGFQOWKBOT-LBPRGKRZSA-N 0 3 283.293 3.430 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2cccc(OC(F)F)c2)CC1 ZINC001204843366 812752751 /nfs/dbraw/zinc/75/27/51/812752751.db2.gz VYZMBBHPJFNFEZ-GFCCVEGCSA-N 0 3 280.318 3.414 20 30 CGEDHN C[C@H](c1ccccn1)N1CCC[C@@H](OCCCCC#N)C1 ZINC001205672102 813049992 /nfs/dbraw/zinc/04/99/92/813049992.db2.gz HWGNXQUEOOSMKM-HZPDHXFCSA-N 0 3 287.407 3.317 20 30 CGEDHN C#C[C@H](CC)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001205714328 813059253 /nfs/dbraw/zinc/05/92/53/813059253.db2.gz ZGXZYQKVGDYDFM-MWQQHZPXSA-N 0 3 289.444 3.326 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc3nonc3c2)cc1 ZINC001205752299 813067412 /nfs/dbraw/zinc/06/74/12/813067412.db2.gz ITWVIVGUIOTWMX-UHFFFAOYSA-N 0 3 295.342 3.077 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cc(C)cc(OC)c2)no1 ZINC001206094709 813198141 /nfs/dbraw/zinc/19/81/41/813198141.db2.gz VHJICIGICVVYBZ-UHFFFAOYSA-N 0 3 299.374 3.163 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1C ZINC001206491055 813334627 /nfs/dbraw/zinc/33/46/27/813334627.db2.gz XSCAAMQUWVDXLP-FFHQTSAVSA-N 0 3 298.430 3.103 20 30 CGEDHN Cc1ccccc1C1CC(NCC2(C#N)CCOCC2)C1 ZINC001207774057 813648877 /nfs/dbraw/zinc/64/88/77/813648877.db2.gz JNEZZDVEHXJSML-UHFFFAOYSA-N 0 3 284.403 3.151 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCOC[C@@H]2C2CC2)CC1 ZINC001208178577 813729741 /nfs/dbraw/zinc/72/97/41/813729741.db2.gz RUZADXRDNSQVIQ-NVXWUHKLSA-N 0 3 261.409 3.400 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001208179043 813730993 /nfs/dbraw/zinc/73/09/93/813730993.db2.gz ZZQCZZOVRDJQNS-OAHLLOKOSA-N 0 3 284.403 3.448 20 30 CGEDHN CN1CC=C(Nc2c(C#N)cccc2C(F)(F)F)CC1 ZINC001208856782 813868802 /nfs/dbraw/zinc/86/88/02/813868802.db2.gz JHEICRGMMBNSRU-UHFFFAOYSA-N 0 3 281.281 3.208 20 30 CGEDHN C=CCN(CCN(CC)Cc1cccs1)C(=O)OCC ZINC001209021375 813917175 /nfs/dbraw/zinc/91/71/75/813917175.db2.gz ZMMRXZDKDLROKR-UHFFFAOYSA-N 0 3 296.436 3.215 20 30 CGEDHN N#CCCN(CCCc1cccnc1)C1CCCC1 ZINC001209176725 813957033 /nfs/dbraw/zinc/95/70/33/813957033.db2.gz MXYCAOLQMSCOAR-UHFFFAOYSA-N 0 3 257.381 3.172 20 30 CGEDHN C=CCCCCCN1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001209423328 814026944 /nfs/dbraw/zinc/02/69/44/814026944.db2.gz SJMHIXRYMLZSHQ-INIZCTEOSA-N 0 3 291.439 3.102 20 30 CGEDHN C=CCCCCCCCN1CCN(C(C)=O)C[C@@H]1C ZINC001209442077 814041176 /nfs/dbraw/zinc/04/11/76/814041176.db2.gz OFWUHRVNQJITGB-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCN(Cc1cc2c(cn1)OCCC2)C(C)(C)C ZINC001209505444 814067227 /nfs/dbraw/zinc/06/72/27/814067227.db2.gz BITZOQUUCQKQKB-UHFFFAOYSA-N 0 3 260.381 3.193 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001211406030 814888844 /nfs/dbraw/zinc/88/88/44/814888844.db2.gz IKPIMHMKAHWREE-BRWVUGGUSA-N 0 3 294.483 3.461 20 30 CGEDHN F[C@H]1CNCC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217793869 815964558 /nfs/dbraw/zinc/96/45/58/815964558.db2.gz HGVMLOLRNJNZQV-IJUQLDHVSA-N 0 3 298.361 3.482 20 30 CGEDHN C=CCC(CC=C)Oc1nc2onc(C)c2c2c1CNCC2 ZINC001218107599 816101250 /nfs/dbraw/zinc/10/12/50/816101250.db2.gz DNJLNRZHDLGRJA-UHFFFAOYSA-N 0 3 299.374 3.077 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CNCc3ccccc32)c(Cl)c1 ZINC001218484570 816239251 /nfs/dbraw/zinc/23/92/51/816239251.db2.gz RMJPNVWAFTUKPK-MRXNPFEDSA-N 0 3 284.746 3.435 20 30 CGEDHN Cc1cc(O[C@@H]2CNCc3ccccc32)ccc1C#N ZINC001218487520 816242292 /nfs/dbraw/zinc/24/22/92/816242292.db2.gz JAEAPAGHKRMSGZ-QGZVFWFLSA-N 0 3 264.328 3.090 20 30 CGEDHN C=C[C@@H]1C[C@]1(N)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C ZINC001219038551 816263054 /nfs/dbraw/zinc/26/30/54/816263054.db2.gz YNHHVMZOVDPYEC-SEDUGSJDSA-N 0 3 284.403 3.313 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC001219673692 816274664 /nfs/dbraw/zinc/27/46/64/816274664.db2.gz MODPGGSWGJOPGZ-PMPSAXMXSA-N 0 3 280.456 3.393 20 30 CGEDHN C#CCN1CCC(CNC(=O)CCCC[C@H](C)CC)CC1 ZINC001223321178 816605120 /nfs/dbraw/zinc/60/51/20/816605120.db2.gz VOPQCUIRWOHURM-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C[C@@H](c1ccccn1)N1CC[C@@H](OCCCCCC#N)C1 ZINC001224690154 816854212 /nfs/dbraw/zinc/85/42/12/816854212.db2.gz PHNRIDMZDASPCH-JKSUJKDBSA-N 0 3 287.407 3.317 20 30 CGEDHN CC(C)c1ccc(C#N)c(OC2CCN(C3CC3)CC2)n1 ZINC001226355465 817334367 /nfs/dbraw/zinc/33/43/67/817334367.db2.gz GVALFSWBDUXFBW-UHFFFAOYSA-N 0 3 285.391 3.082 20 30 CGEDHN CCN1CCC[C@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227787817 817720155 /nfs/dbraw/zinc/72/01/55/817720155.db2.gz LJLUVLJTOHXYBI-NSHDSACASA-N 0 3 264.756 3.075 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@H]2c2ccccn2)c1 ZINC001231658976 818150044 /nfs/dbraw/zinc/15/00/44/818150044.db2.gz CCZNEBHHCAJUTM-SFHVURJKSA-N 0 3 262.356 3.400 20 30 CGEDHN C=CCCN(Cc1n[nH]c2c1CCC2)Cc1ccccc1 ZINC001232426979 818348195 /nfs/dbraw/zinc/34/81/95/818348195.db2.gz QCMSILXVRYHUMF-UHFFFAOYSA-N 0 3 281.403 3.477 20 30 CGEDHN COc1ccccc1C[C@@H](C)N(C)Cc1cc(C#N)ccn1 ZINC001232480048 818364625 /nfs/dbraw/zinc/36/46/25/818364625.db2.gz GWRJGPZYKKRQRX-CQSZACIVSA-N 0 3 295.386 3.025 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(c2ncccn2)CC1 ZINC001233083021 818520716 /nfs/dbraw/zinc/52/07/16/818520716.db2.gz PIVIYLYPILDDOD-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001233491322 818626761 /nfs/dbraw/zinc/62/67/61/818626761.db2.gz WJKOSMSUFLSECE-OAHLLOKOSA-N 0 3 290.407 3.009 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234170026 818797632 /nfs/dbraw/zinc/79/76/32/818797632.db2.gz HLKNNXNXCBBJGV-KRWDZBQOSA-N 0 3 292.467 3.149 20 30 CGEDHN C#C[C@@H](CCCC)Oc1cccc2c1CCN(C)C2 ZINC001234424013 818851186 /nfs/dbraw/zinc/85/11/86/818851186.db2.gz MYFOAPYGSLPHFK-HNNXBMFYSA-N 0 3 257.377 3.245 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCC(=C)C ZINC001234518898 818871457 /nfs/dbraw/zinc/87/14/57/818871457.db2.gz YDSUMLFWKVDPAE-KRWDZBQOSA-N 0 3 290.451 3.254 20 30 CGEDHN CCCCCCCN(C)Cc1cc(C(=O)OC)ccn1 ZINC001235201896 819034917 /nfs/dbraw/zinc/03/49/17/819034917.db2.gz FYDYSJTWKCLLHO-UHFFFAOYSA-N 0 3 278.396 3.270 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CCc2cc(N)ccc2C1 ZINC001236107701 819324255 /nfs/dbraw/zinc/32/42/55/819324255.db2.gz AKTBTIOGAHWDPY-UHFFFAOYSA-N 0 3 291.398 3.261 20 30 CGEDHN N#CC1(c2ccc(-c3ccc4[nH]c(N)nc4c3)cc2)CC1 ZINC001243422940 823400976 /nfs/dbraw/zinc/40/09/76/823400976.db2.gz ZPPKVEDEOCQYJQ-UHFFFAOYSA-N 0 3 274.327 3.367 20 30 CGEDHN N#CC1(c2ccc(-c3ccc4nc(N)[nH]c4c3)cc2)CC1 ZINC001243422940 823400978 /nfs/dbraw/zinc/40/09/78/823400978.db2.gz ZPPKVEDEOCQYJQ-UHFFFAOYSA-N 0 3 274.327 3.367 20 30 CGEDHN C=CCN(Cc1n[nH]c2cc(N)ccc21)C1CCCCC1 ZINC001236433242 819477014 /nfs/dbraw/zinc/47/70/14/819477014.db2.gz HEMUHTLILCRLKK-UHFFFAOYSA-N 0 3 284.407 3.466 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@@]1(C)O ZINC001237747331 819835317 /nfs/dbraw/zinc/83/53/17/819835317.db2.gz UMHQSURVMRHSBM-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN Cc1ncncc1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001238162985 819944389 /nfs/dbraw/zinc/94/43/89/819944389.db2.gz BOTQPSGKKYZXBZ-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N1CC2CC1(C)C2 ZINC001340805334 936414896 /nfs/dbraw/zinc/41/48/96/936414896.db2.gz DHDNCDNICSESRY-NPCAHTBFSA-N 0 3 266.429 3.075 20 30 CGEDHN C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@H](N)CCCC#N)c21 ZINC001341004940 936424103 /nfs/dbraw/zinc/42/41/03/936424103.db2.gz MAUCWSYSVKQXSV-TZMCWYRMSA-N 0 3 299.418 3.431 20 30 CGEDHN C[C@H](NC(=O)[C@@H](N)C1CCCCCC1)c1cccc(C#N)c1 ZINC001341610912 936444432 /nfs/dbraw/zinc/44/44/32/936444432.db2.gz YLXJCIJDHJRNMF-GUYCJALGSA-N 0 3 299.418 3.033 20 30 CGEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@H](C)F)CCC1 ZINC001479244578 936463893 /nfs/dbraw/zinc/46/38/93/936463893.db2.gz KRSCTGQAQSTEKF-LSDHHAIUSA-N 0 3 296.430 3.014 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1 ZINC001343273461 936493298 /nfs/dbraw/zinc/49/32/98/936493298.db2.gz CVUVMGOWDUDJGK-UHFFFAOYSA-N 0 3 281.403 3.321 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1(CC(C)C)CCC1 ZINC001344325781 936529493 /nfs/dbraw/zinc/52/94/93/936529493.db2.gz LKLXQWBGVYXSLY-ZDUSSCGKSA-N 0 3 273.380 3.296 20 30 CGEDHN CC(NNc1ccc(C(C)(C)C)nn1)=C1CC1(F)F ZINC001345128746 936803201 /nfs/dbraw/zinc/80/32/01/936803201.db2.gz CZKZPZGMBYYYDC-VIFPVBQESA-N 0 3 268.311 3.217 20 30 CGEDHN C=CCC[C@H](NCc1cnc(C)o1)[C@H]1Cc2ccccc2O1 ZINC001349785512 936962365 /nfs/dbraw/zinc/96/23/65/936962365.db2.gz FEIRCRKLTTYPNZ-FUHWJXTLSA-N 0 3 298.386 3.411 20 30 CGEDHN Cc1c([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)cnn1C ZINC001349823598 936964239 /nfs/dbraw/zinc/96/42/39/936964239.db2.gz NOZJMAMDHDRZAG-ZDUSSCGKSA-N 0 3 296.418 3.381 20 30 CGEDHN C=C[C@@H](COC)NCc1cc(Br)c(C)s1 ZINC001352175154 937038351 /nfs/dbraw/zinc/03/83/51/937038351.db2.gz HTXKTAUEFKVHHM-VIFPVBQESA-N 0 3 290.226 3.110 20 30 CGEDHN C=CCN(C)CCNC(=O)c1cc2cccc(C)c2s1 ZINC001480882327 926717764 /nfs/dbraw/zinc/71/77/64/926717764.db2.gz YKOVHZVOYZHNMF-UHFFFAOYSA-N 0 3 288.416 3.057 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCC(CC)(CC)C(F)(F)F ZINC001354511982 937104924 /nfs/dbraw/zinc/10/49/24/937104924.db2.gz LNMRZZMCYVGOAZ-NSHDSACASA-N 0 3 294.361 3.155 20 30 CGEDHN C=CC(C)(C)C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001481639561 927043701 /nfs/dbraw/zinc/04/37/01/927043701.db2.gz ZPXPZLXXWXFAJP-CQSZACIVSA-N 0 3 286.419 3.008 20 30 CGEDHN C=CC(C)(C)C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001481639560 927044250 /nfs/dbraw/zinc/04/42/50/927044250.db2.gz ZPXPZLXXWXFAJP-AWEZNQCLSA-N 0 3 286.419 3.008 20 30 CGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H](CC)CC(C)C)C1 ZINC001481779573 927087294 /nfs/dbraw/zinc/08/72/94/927087294.db2.gz UJAJUCNWLKECSM-SJORKVTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H](C)C1CC1)C1CC1 ZINC001481950402 927115325 /nfs/dbraw/zinc/11/53/25/927115325.db2.gz FSDAGFAPYNXNOR-MEDUHNTESA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001482642251 927338943 /nfs/dbraw/zinc/33/89/43/927338943.db2.gz AUVYXTZQVOCNNI-HNNXBMFYSA-N 0 3 282.472 3.415 20 30 CGEDHN C=C(C)CN1CCc2c(CNC(=O)CCC)cccc2C1 ZINC001484611956 927728408 /nfs/dbraw/zinc/72/84/08/927728408.db2.gz ZHLOYWRVUISLAC-UHFFFAOYSA-N 0 3 286.419 3.037 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001484722387 927749186 /nfs/dbraw/zinc/74/91/86/927749186.db2.gz VEVRJTHZOOVAJF-HOTGVXAUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC001485057794 927798768 /nfs/dbraw/zinc/79/87/68/927798768.db2.gz ZWQLDQZBVOSSHZ-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CC[C@H]1N(CC[S@](=O)C(F)(F)F)CCCC1(C)C ZINC001473432129 937198979 /nfs/dbraw/zinc/19/89/79/937198979.db2.gz IVONEZNNLFKTKG-WYRIXSBYSA-N 0 3 297.386 3.322 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(C)CCCCC1 ZINC001488652041 928287000 /nfs/dbraw/zinc/28/70/00/928287000.db2.gz CUDUBLKHYSLNEL-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001490798497 928402696 /nfs/dbraw/zinc/40/26/96/928402696.db2.gz BEUAQFCTLBCLAT-HRCADAONSA-N 0 3 290.451 3.207 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(OCCCC)cc1 ZINC001321242736 928501553 /nfs/dbraw/zinc/50/15/53/928501553.db2.gz ZDNKXIJJOMYTJH-HNNXBMFYSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@@H](NC1CC(Nc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000903086041 928768644 /nfs/dbraw/zinc/76/86/44/928768644.db2.gz AZNHNOGODLVIFC-NVPAJSRCSA-N 0 3 292.386 3.247 20 30 CGEDHN C#CC1CCN([C@H](CC)C(=O)Nc2ccc(C)cc2)CC1 ZINC001460291443 937525316 /nfs/dbraw/zinc/52/53/16/937525316.db2.gz XIRFADLXVTYMEO-QGZVFWFLSA-N 0 3 284.403 3.057 20 30 CGEDHN CC[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1[O-] ZINC001139530059 931953176 /nfs/dbraw/zinc/95/31/76/931953176.db2.gz JHNAGVYIASQCTC-UHFFFAOYSA-N 0 3 284.334 3.425 20 30 CGEDHN CC[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1[O-] ZINC001139530059 931953182 /nfs/dbraw/zinc/95/31/82/931953182.db2.gz JHNAGVYIASQCTC-UHFFFAOYSA-N 0 3 284.334 3.425 20 30 CGEDHN N#CCOc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000237833831 931972607 /nfs/dbraw/zinc/97/26/07/931972607.db2.gz GISQWIBELRALNN-UHFFFAOYSA-N 0 3 291.354 3.360 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001330068616 932034546 /nfs/dbraw/zinc/03/45/46/932034546.db2.gz BAYXOXDEWHMSFP-HOCLYGCPSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1cc(Cl)ccc1Cl ZINC001461719845 937593620 /nfs/dbraw/zinc/59/36/20/937593620.db2.gz YPJQVIBSUIIMEU-LBPRGKRZSA-N 0 3 274.191 3.410 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1cc(Cl)ccc1Cl ZINC001461719844 937593841 /nfs/dbraw/zinc/59/38/41/937593841.db2.gz YPJQVIBSUIIMEU-GFCCVEGCSA-N 0 3 274.191 3.410 20 30 CGEDHN C#CCN1CCC[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC001461751239 937595875 /nfs/dbraw/zinc/59/58/75/937595875.db2.gz FJVIEXXSEVRTIH-CQSZACIVSA-N 0 3 297.229 3.181 20 30 CGEDHN Cc1cc(Cl)c(C#N)c(O[C@H]2CCCN(C(C)C)C2)n1 ZINC001230183629 932539731 /nfs/dbraw/zinc/53/97/31/932539731.db2.gz OOEQADLIURRPQD-LBPRGKRZSA-N 0 3 293.798 3.167 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230604384 932596684 /nfs/dbraw/zinc/59/66/84/932596684.db2.gz YVAJZFUUCVSWJF-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C(C)C)[C@@H]1C ZINC001332186508 932735382 /nfs/dbraw/zinc/73/53/82/932735382.db2.gz UFNZWHLWDOPIJN-LSDHHAIUSA-N 0 3 280.456 3.214 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001316599105 932743348 /nfs/dbraw/zinc/74/33/48/932743348.db2.gz AOHBMJVBICFBJP-GJZGRUSLSA-N 0 3 290.407 3.089 20 30 CGEDHN C=CC1(CC(=O)NC[C@H](C)NC/C=C/Cl)CCCCC1 ZINC001317279517 932824742 /nfs/dbraw/zinc/82/47/42/932824742.db2.gz YHUUJENRKYTDAK-RNVIBTMRSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCCCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC001307794773 933001632 /nfs/dbraw/zinc/00/16/32/933001632.db2.gz VYIVEZJGIKNQMA-HUUCEWRRSA-N 0 3 280.456 3.310 20 30 CGEDHN C=C(CC)CN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001307838488 933006410 /nfs/dbraw/zinc/00/64/10/933006410.db2.gz FFIORGQOEHWNBT-INIZCTEOSA-N 0 3 258.409 3.159 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(Cl)cc2OC)C1 ZINC001308067701 933043566 /nfs/dbraw/zinc/04/35/66/933043566.db2.gz JAGFLWPYZQTYLP-LBPRGKRZSA-N 0 3 263.768 3.194 20 30 CGEDHN C=CCCCN(CC)Cc1ccc(C(=O)OCC)o1 ZINC001462637371 937656199 /nfs/dbraw/zinc/65/61/99/937656199.db2.gz WJFAANXDFPEJBJ-UHFFFAOYSA-N 0 3 265.353 3.244 20 30 CGEDHN C=CCCn1cc(CNCC2CCC(C(C)C)CC2)nn1 ZINC001308317034 933093708 /nfs/dbraw/zinc/09/37/08/933093708.db2.gz XILPGCJICXBYBX-UHFFFAOYSA-N 0 3 290.455 3.406 20 30 CGEDHN C[C@H](Cc1ccsc1)N(C)Cc1cccc(C#N)n1 ZINC001308595369 933140552 /nfs/dbraw/zinc/14/05/52/933140552.db2.gz RUTSXSKCCOTQIR-GFCCVEGCSA-N 0 3 271.389 3.078 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2(CC)CCCCC2)CC1 ZINC001316936839 933498197 /nfs/dbraw/zinc/49/81/97/933498197.db2.gz HIVSSLSWPBIGJQ-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C#CCCCCCC(=O)NC[C@H]1CCCCN1CC(=C)C ZINC001317174335 933548330 /nfs/dbraw/zinc/54/83/30/933548330.db2.gz SOKNCCPFNKWHRV-QGZVFWFLSA-N 0 3 290.451 3.117 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(C)(C)CC(C)C ZINC001317508331 933606897 /nfs/dbraw/zinc/60/68/97/933606897.db2.gz KFSAZJYZGKMIOC-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN CC#CCN1CC[C@H](CNC(=O)C(C)(C)CCCCC)C1 ZINC001317535939 933612005 /nfs/dbraw/zinc/61/20/05/933612005.db2.gz LCDWBLLKHNSRNP-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001317984556 933671924 /nfs/dbraw/zinc/67/19/24/933671924.db2.gz GGWPHIOGGFTLMR-KRWDZBQOSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001318224927 933700013 /nfs/dbraw/zinc/70/00/13/933700013.db2.gz SYPRYHJOXXDLEK-NJAFHUGGSA-N 0 3 298.430 3.248 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001318282058 933704541 /nfs/dbraw/zinc/70/45/41/933704541.db2.gz QDCXMTXMIGAIAT-INIZCTEOSA-N 0 3 290.451 3.280 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001318309562 933707875 /nfs/dbraw/zinc/70/78/75/933707875.db2.gz UUXHPAAMVRGGKW-WMZOPIPTSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)CCC)C1CC1 ZINC001318685141 933763014 /nfs/dbraw/zinc/76/30/14/933763014.db2.gz CLGMFLKSQHPNPF-NHYWBVRUSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001467728758 937721435 /nfs/dbraw/zinc/72/14/35/937721435.db2.gz OVEVMTIXQGTDPT-DLBZAZTESA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1(CC=C)CCCC1 ZINC001467728216 937721617 /nfs/dbraw/zinc/72/16/17/937721617.db2.gz AHWPBSHDUNGTRF-UHFFFAOYSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CCC1(CNC(=O)CN(C)CC(C)(C)C)CCCC1 ZINC001467992049 937723609 /nfs/dbraw/zinc/72/36/09/937723609.db2.gz NWQKYJOHABMGIJ-UHFFFAOYSA-N 0 3 280.456 3.217 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCC(CCN(C)CCF)CC1 ZINC001319880449 933951293 /nfs/dbraw/zinc/95/12/93/933951293.db2.gz LKOILWMAMQMLLC-UHFFFAOYSA-N 0 3 298.446 3.119 20 30 CGEDHN C=C(Cl)CN[C@H](CNC(=O)C1(CC)CCC1)C(C)C ZINC001319934645 933960990 /nfs/dbraw/zinc/96/09/90/933960990.db2.gz DZWATHHMZXYGDP-CYBMUJFWSA-N 0 3 286.847 3.050 20 30 CGEDHN C#CCN(Cc1ccccc1N1CCCC1)CC1CC1 ZINC001319972827 933969249 /nfs/dbraw/zinc/96/92/49/933969249.db2.gz MIQHPRGLHHIHCK-UHFFFAOYSA-N 0 3 268.404 3.132 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001320073347 933992655 /nfs/dbraw/zinc/99/26/55/933992655.db2.gz YFXKAFRKVGXLBH-INIZCTEOSA-N 0 3 298.446 3.261 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC(C)C)cc2)C1 ZINC001320376955 934039591 /nfs/dbraw/zinc/03/95/91/934039591.db2.gz IKZWMLMUQAGDSY-QGZVFWFLSA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC001321044600 934142127 /nfs/dbraw/zinc/14/21/27/934142127.db2.gz OCXAMJOZGNAPJK-CQSZACIVSA-N 0 3 267.319 3.401 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC001321044599 934142544 /nfs/dbraw/zinc/14/25/44/934142544.db2.gz OCXAMJOZGNAPJK-AWEZNQCLSA-N 0 3 267.319 3.401 20 30 CGEDHN C=C[C@@H](COC)NCc1ccc(C(C)(C)C)s1 ZINC001321239606 934166953 /nfs/dbraw/zinc/16/69/53/934166953.db2.gz LEZPIWRPOQADGJ-NSHDSACASA-N 0 3 253.411 3.336 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@@H](OC)C1 ZINC001321769200 934210185 /nfs/dbraw/zinc/21/01/85/934210185.db2.gz DOGRIPMBBPBLEK-QWHCGFSZSA-N 0 3 293.794 3.009 20 30 CGEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001322852613 934341101 /nfs/dbraw/zinc/34/11/01/934341101.db2.gz SKJYONWVVXBROX-YMAMQOFZSA-N 0 3 298.858 3.003 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001323277170 934379270 /nfs/dbraw/zinc/37/92/70/934379270.db2.gz KSEFYWDTCKPOCH-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C[C@H](COC)NC/C(C)=C/c1ccccc1OC(F)F ZINC001324159418 934467455 /nfs/dbraw/zinc/46/74/55/934467455.db2.gz XUPIUEQOPXHXIL-BRADTZPFSA-N 0 3 297.345 3.482 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)[C@@H](CO)CC(C)(C)C ZINC001473475290 937808317 /nfs/dbraw/zinc/80/83/17/937808317.db2.gz CPTFLJKPUSHDAA-OAHLLOKOSA-N 0 3 293.838 3.420 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CCCC ZINC001325899925 934937868 /nfs/dbraw/zinc/93/78/68/934937868.db2.gz OMCSPYZEMFOOFA-HRCADAONSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCOCCN1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001473601384 937813265 /nfs/dbraw/zinc/81/32/65/937813265.db2.gz JGDRRRZFNLRLJD-KZNAEPCWSA-N 0 3 287.403 3.184 20 30 CGEDHN C=CCC1(NCc2csc(C(C)C)n2)CCOCC1 ZINC001327582521 935072576 /nfs/dbraw/zinc/07/25/76/935072576.db2.gz MSAASPOQUILCHR-UHFFFAOYSA-N 0 3 280.437 3.481 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCC1CC1 ZINC001329277680 935200451 /nfs/dbraw/zinc/20/04/51/935200451.db2.gz JJRFTNWMVOGXSH-UHFFFAOYSA-N 0 3 286.847 3.003 20 30 CGEDHN C#C[C@@H](NCc1sc(N2CCCCC2)nc1C)C(C)C ZINC001329800020 935246222 /nfs/dbraw/zinc/24/62/22/935246222.db2.gz GOVSWBPXRQZDOE-CQSZACIVSA-N 0 3 291.464 3.189 20 30 CGEDHN CC[C@H](NCc1cccc(OCC#N)c1)c1ccncc1 ZINC001330715874 935316475 /nfs/dbraw/zinc/31/64/75/935316475.db2.gz VGUJCGGBWATRDH-KRWDZBQOSA-N 0 3 281.359 3.225 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCC(F)F)C1 ZINC001331993442 935431752 /nfs/dbraw/zinc/43/17/52/935431752.db2.gz KAYOIMITZKOMQP-AWEZNQCLSA-N 0 3 297.345 3.107 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC001334319980 936096564 /nfs/dbraw/zinc/09/65/64/936096564.db2.gz NMKZNQCPMLBANA-OBJOEFQTSA-N 0 3 275.783 3.132 20 30 CGEDHN C#CCN(Cc1cccc(OC(F)F)c1)C(C)C ZINC001473817780 937823510 /nfs/dbraw/zinc/82/35/10/937823510.db2.gz YDTVJUDJJZORHN-UHFFFAOYSA-N 0 3 253.292 3.132 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)CCCC#CC)c1ccccc1 ZINC001493899093 937951862 /nfs/dbraw/zinc/95/18/62/937951862.db2.gz XQPNWQOLOMJJBV-GOSISDBHSA-N 0 3 298.430 3.203 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2CC(C)(C)C2)C1 ZINC001493946164 937952296 /nfs/dbraw/zinc/95/22/96/937952296.db2.gz DXDIIZJLIVHKTJ-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCCC ZINC001494651732 937955297 /nfs/dbraw/zinc/95/52/97/937955297.db2.gz GRBNEDGJXVPLSS-JYJNAYRXSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCCN1CC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001494792084 937956343 /nfs/dbraw/zinc/95/63/43/937956343.db2.gz AMHSWVGBFLDCHB-CQSZACIVSA-N 0 3 292.448 3.081 20 30 CGEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1F ZINC001496019077 937961091 /nfs/dbraw/zinc/96/10/91/937961091.db2.gz XSTBMPVMRIFYSD-AWEZNQCLSA-N 0 3 292.398 3.037 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(CC=C)CCCC1 ZINC001499138641 937972818 /nfs/dbraw/zinc/97/28/18/937972818.db2.gz RLNLAEFGWPLXDP-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CCNCC(=C)Cl)C1 ZINC001501571112 937979955 /nfs/dbraw/zinc/97/99/55/937979955.db2.gz PLPBGGAKNACRMB-CQSZACIVSA-N 0 3 298.858 3.169 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CCC2(C)CC2)cc1 ZINC001501682113 937980176 /nfs/dbraw/zinc/98/01/76/937980176.db2.gz YBXJFOGVKYHTQF-OAHLLOKOSA-N 0 3 298.430 3.167 20 30 CGEDHN C=C(C)CCC(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001502337887 937981786 /nfs/dbraw/zinc/98/17/86/937981786.db2.gz ARGCHFPVLNGPPS-UHFFFAOYSA-N 0 3 294.361 3.075 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCCC#CC ZINC001505829350 937987151 /nfs/dbraw/zinc/98/71/51/937987151.db2.gz JSZKXHKETZKHFK-UHFFFAOYSA-N 0 3 298.858 3.007 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001507379287 937995565 /nfs/dbraw/zinc/99/55/65/937995565.db2.gz AWBSFYLFCNHMSB-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC001521291005 938031027 /nfs/dbraw/zinc/03/10/27/938031027.db2.gz MCXXMTZKNJSOKZ-INIZCTEOSA-N 0 3 299.418 3.085 20 30 CGEDHN N#CC(C(=O)CCc1ccccc1F)c1cccc(F)n1 ZINC001524704415 938044958 /nfs/dbraw/zinc/04/49/58/938044958.db2.gz KSQNFBBAOVXZOE-GFCCVEGCSA-N 0 3 286.281 3.169 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1CCCC[C@H]1C ZINC001526593823 938056596 /nfs/dbraw/zinc/05/65/96/938056596.db2.gz JFTIYAOIFPMLBR-MGPQQGTHSA-N 0 3 273.380 3.296 20 30 CGEDHN C#Cc1cccc(N(C(=O)[C@@H]2CCCN2C(C)C)C(C)C)c1 ZINC001528199231 938066167 /nfs/dbraw/zinc/06/61/67/938066167.db2.gz MXXZSOSWGHXBSE-SFHVURJKSA-N 0 3 298.430 3.282 20 30 CGEDHN C#CCCCCCC(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001529008020 938070318 /nfs/dbraw/zinc/07/03/18/938070318.db2.gz ZWNXMRKHMQVTRX-INIZCTEOSA-N 0 3 290.451 3.045 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2C)CCCCC1 ZINC001537278995 938109083 /nfs/dbraw/zinc/10/90/83/938109083.db2.gz SHOKBDYFGDHOJD-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCN(Cc1ccccc1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC001559821705 938236651 /nfs/dbraw/zinc/23/66/51/938236651.db2.gz ZKXGVNNJSQZCQS-YLJYHZDGSA-N 0 3 293.410 3.286 20 30 CGEDHN CCCCCCCCN1CCO[C@](C)(COC)C1 ZINC001560042206 938242419 /nfs/dbraw/zinc/24/24/19/938242419.db2.gz IPYMXJNJKFTUQJ-HNNXBMFYSA-N 0 3 257.418 3.084 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(OCCC)c(C)c1 ZINC001560807801 938276992 /nfs/dbraw/zinc/27/69/92/938276992.db2.gz PCUIBSYPULQCIT-UHFFFAOYSA-N 0 3 277.408 3.418 20 30 CGEDHN C#C[C@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001560822506 938278051 /nfs/dbraw/zinc/27/80/51/938278051.db2.gz GUEIVXCINNKCQT-INIZCTEOSA-N 0 3 290.410 3.361 20 30 CGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@](C)(CC)CCC)CC1 ZINC001486441498 957835324 /nfs/dbraw/zinc/83/53/24/957835324.db2.gz RMDBOWKPIIEHSP-CRAIPNDOSA-N 0 3 292.467 3.053 20 30 CGEDHN COc1cccc(CN2CCC[C@@H](CC#N)C2)c1C ZINC000930921583 958803969 /nfs/dbraw/zinc/80/39/69/958803969.db2.gz FQMBJEDJSZGOFT-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@H](OC)CC[C@@H]1C ZINC001577426408 960477235 /nfs/dbraw/zinc/47/72/35/960477235.db2.gz NJWLYHDAIDCIFT-XHSDSOJGSA-N 0 3 298.471 3.090 20 30 CGEDHN C=CCCC(=O)NCCN(CC)[C@@H](C)c1cccc(F)c1 ZINC001567327465 961277744 /nfs/dbraw/zinc/27/77/44/961277744.db2.gz PVJGYNGXYSHESO-AWEZNQCLSA-N 0 3 292.398 3.291 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1(CC)CCCCC1 ZINC001568551693 961612911 /nfs/dbraw/zinc/61/29/11/961612911.db2.gz OVCSKQPZJJKYCJ-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001569347297 961743086 /nfs/dbraw/zinc/74/30/86/961743086.db2.gz YUXCGXPHKZFNNG-NEPJUHHUSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H](C)CC)C1 ZINC001569978192 961870844 /nfs/dbraw/zinc/87/08/44/961870844.db2.gz XTLKITBFMXBVMA-GXTWGEPZSA-N 0 3 286.847 3.003 20 30 CGEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001570218464 961938064 /nfs/dbraw/zinc/93/80/64/961938064.db2.gz UYDBCNZDDOHUSD-INIZCTEOSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1CCC2(CC2)CC1 ZINC001570536945 961984884 /nfs/dbraw/zinc/98/48/84/961984884.db2.gz VYICJIVBVNKNGP-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC(=C)C ZINC001570519610 961992690 /nfs/dbraw/zinc/99/26/90/961992690.db2.gz UZHYASLNPJWUIW-IEBWSBKVSA-N 0 3 298.430 3.291 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1(CC=C)CCCC1 ZINC001570549462 962001145 /nfs/dbraw/zinc/00/11/45/962001145.db2.gz YFDIBVQKMBPYIJ-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CCC1(C)C ZINC001571297133 962125457 /nfs/dbraw/zinc/12/54/57/962125457.db2.gz NSYVXSHXQOYIRE-QWHCGFSZSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(F)cccc1NC(C)C ZINC001574856628 962321095 /nfs/dbraw/zinc/32/10/95/962321095.db2.gz CLNYYLHISRNERK-NSHDSACASA-N 0 3 299.777 3.054 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(F)cc1)C(C)C ZINC001574850228 962323303 /nfs/dbraw/zinc/32/33/03/962323303.db2.gz WUIVLVXBJDLUBM-AWEZNQCLSA-N 0 3 298.789 3.033 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC001574903473 962330775 /nfs/dbraw/zinc/33/07/75/962330775.db2.gz RLGPMURZEUITNY-QLFBSQMISA-N 0 3 280.456 3.391 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)C1CCCCCCC1 ZINC001574901184 962331899 /nfs/dbraw/zinc/33/18/99/962331899.db2.gz BFECYOBGBMXMKH-OAHLLOKOSA-N 0 3 266.429 3.241 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H](N)C[C@@H](C)CC ZINC001574927651 962333980 /nfs/dbraw/zinc/33/39/80/962333980.db2.gz RROOMKGAEQPFSI-HOCLYGCPSA-N 0 3 280.456 3.345 20 30 CGEDHN C=CCCCC[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588595920 963283752 /nfs/dbraw/zinc/28/37/52/963283752.db2.gz AFQSHRLIEPYEPN-UHFFFAOYSA-N 0 3 299.422 3.435 20 30 CGEDHN C=CCCCC[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588595920 963283761 /nfs/dbraw/zinc/28/37/61/963283761.db2.gz AFQSHRLIEPYEPN-UHFFFAOYSA-N 0 3 299.422 3.435 20 30 CGEDHN C=CCCCC[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588595920 963283766 /nfs/dbraw/zinc/28/37/66/963283766.db2.gz AFQSHRLIEPYEPN-UHFFFAOYSA-N 0 3 299.422 3.435 20 30 CGEDHN C=CCCCC[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588595920 963283777 /nfs/dbraw/zinc/28/37/77/963283777.db2.gz AFQSHRLIEPYEPN-UHFFFAOYSA-N 0 3 299.422 3.435 20 30 CGEDHN C=CC[C@H](C)[NH+]1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588539337 963288138 /nfs/dbraw/zinc/28/81/38/963288138.db2.gz HKQXCZRJPFZCFH-ZDUSSCGKSA-N 0 3 297.406 3.011 20 30 CGEDHN C=CC[C@H](C)[NH+]1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588539337 963288146 /nfs/dbraw/zinc/28/81/46/963288146.db2.gz HKQXCZRJPFZCFH-ZDUSSCGKSA-N 0 3 297.406 3.011 20 30 CGEDHN N#Cc1ccc(CNCCc2nc3ccccc3s2)o1 ZINC000337569843 214162012 /nfs/dbraw/zinc/16/20/12/214162012.db2.gz CHQNJFKRAPYWSC-UHFFFAOYSA-N 0 3 283.356 3.093 20 30 CGEDHN C=CCN1CCC(NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC000621858790 349597525 /nfs/dbraw/zinc/59/75/25/349597525.db2.gz DQKJFCWTWQWPQX-MRXNPFEDSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CC(C)(C)CNCc1cc(F)c(OC)cc1OC ZINC000651822491 398293428 /nfs/dbraw/zinc/29/34/28/398293428.db2.gz ZJBHFYIMLWLABR-UHFFFAOYSA-N 0 3 267.344 3.145 20 30 CGEDHN C=CCOc1cccc(CN(CC)[C@H]2CCCOC2)c1 ZINC000651947609 398310361 /nfs/dbraw/zinc/31/03/61/398310361.db2.gz OLUNJOUTWSJTDN-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C2CCC2)C1 ZINC000591062254 346898261 /nfs/dbraw/zinc/89/82/61/346898261.db2.gz ZRXWONHXSRGBDD-BBRMVZONSA-N 0 3 297.402 3.007 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000439459263 529626023 /nfs/dbraw/zinc/62/60/23/529626023.db2.gz VUOXUYNGQYKJNB-LSDHHAIUSA-N 0 3 278.783 3.259 20 30 CGEDHN Cc1ccc(C[C@H](C)NC[C@H](C#N)CCC#N)s1 ZINC000591743522 346934281 /nfs/dbraw/zinc/93/42/81/346934281.db2.gz BPGQNBRBRXEBRS-AAEUAGOBSA-N 0 3 261.394 3.021 20 30 CGEDHN Cc1nn(C)c(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334171577 282262174 /nfs/dbraw/zinc/26/21/74/282262174.db2.gz ARGJUSPWTCWCGY-SFHVURJKSA-N 0 3 294.402 3.076 20 30 CGEDHN CN(C)CCSc1c(C#N)cnc2c(Cl)cccc21 ZINC000591925032 346947304 /nfs/dbraw/zinc/94/73/04/346947304.db2.gz HBLNONOHGFJGMB-UHFFFAOYSA-N 0 3 291.807 3.414 20 30 CGEDHN CC(C)(C)OC(=O)C1(C)CCN(CCCCC#N)CC1 ZINC000592157354 346967709 /nfs/dbraw/zinc/96/77/09/346967709.db2.gz VBCCHNSVBYMPDA-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN C=C(C)[C@H](CO)S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000592354518 346978055 /nfs/dbraw/zinc/97/80/55/346978055.db2.gz JSSDZUYTPQHOOC-IRXDYDNUSA-N 0 3 291.460 3.321 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000592375130 346980274 /nfs/dbraw/zinc/98/02/74/346980274.db2.gz RNZJJHWAQMAEGH-OKILXGFUSA-N 0 3 276.355 3.133 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H]2CSc3ccccc3O2)C1 ZINC000592391434 346981751 /nfs/dbraw/zinc/98/17/51/346981751.db2.gz LCRQHAUVYSWZBI-MGPQQGTHSA-N 0 3 288.416 3.212 20 30 CGEDHN C[C@@H]1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CO1 ZINC000592399623 346984835 /nfs/dbraw/zinc/98/48/35/346984835.db2.gz OTKXMVKRWADACH-PVUWLOKVSA-N 0 3 270.376 3.093 20 30 CGEDHN CC(C)(C)C[C@@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000592500540 346993769 /nfs/dbraw/zinc/99/37/69/346993769.db2.gz VFJITRJWCDXPCI-HNNXBMFYSA-N 0 3 297.406 3.002 20 30 CGEDHN CN(CCC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592683183 347007435 /nfs/dbraw/zinc/00/74/35/347007435.db2.gz CGKYAWHQHSAVQQ-MRXNPFEDSA-N 0 3 297.402 3.135 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000593115816 347041558 /nfs/dbraw/zinc/04/15/58/347041558.db2.gz FPTHUITZXKSFGN-CQSZACIVSA-N 0 3 262.303 3.098 20 30 CGEDHN C[C@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000593183357 347048659 /nfs/dbraw/zinc/04/86/59/347048659.db2.gz UXJWFRDYHBXDOS-OLZOCXBDSA-N 0 3 258.365 3.024 20 30 CGEDHN CN(CCC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046529049 345040595 /nfs/dbraw/zinc/04/05/95/345040595.db2.gz AGDUBPCXKQRVCT-UHFFFAOYSA-N 0 3 293.370 3.019 20 30 CGEDHN CC(C)(C)CCN1CCN(Cc2cccc(C#N)c2)CC1 ZINC000059744732 345208253 /nfs/dbraw/zinc/20/82/53/345208253.db2.gz CWKRTLPXXDHMEE-UHFFFAOYSA-N 0 3 285.435 3.112 20 30 CGEDHN N#CCCCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066898898 345309671 /nfs/dbraw/zinc/30/96/71/345309671.db2.gz QFSZRJSYJBQRGF-OAHLLOKOSA-N 0 3 286.375 3.289 20 30 CGEDHN CCc1cc(C#N)c(NC(=O)C(C)C(F)(F)F)s1 ZINC000074721824 345479457 /nfs/dbraw/zinc/47/94/57/345479457.db2.gz NAKNZVZPRLWEGV-ZCFIWIBFSA-N 0 3 276.283 3.319 20 30 CGEDHN C=CCNC(=O)CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000077372168 345571316 /nfs/dbraw/zinc/57/13/16/345571316.db2.gz DHDNPZLWLWAKRN-HNNXBMFYSA-N 0 3 286.419 3.152 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCc2scnc21 ZINC000623977115 349934298 /nfs/dbraw/zinc/93/42/98/349934298.db2.gz HLKMSYGIPOYKCN-XUJVJEKNSA-N 0 3 278.421 3.091 20 30 CGEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)cs1 ZINC000092063916 345829414 /nfs/dbraw/zinc/82/94/14/345829414.db2.gz BCOFGQFGZKVYHJ-SJKOYZFVSA-N 0 3 298.411 3.444 20 30 CGEDHN N#CCCN(CC1CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000093091411 345869041 /nfs/dbraw/zinc/86/90/41/345869041.db2.gz LCJQSUZGAVFNKY-SJORKVTESA-N 0 3 254.377 3.416 20 30 CGEDHN C=CCOc1ccc(CNCCSC)cc1Cl ZINC000237505757 346346277 /nfs/dbraw/zinc/34/62/77/346346277.db2.gz JMWOZQWWPNFUMJ-UHFFFAOYSA-N 0 3 271.813 3.357 20 30 CGEDHN C=C(C)[C@H](NC[C@@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC000293000942 346430680 /nfs/dbraw/zinc/43/06/80/346430680.db2.gz SULWMBRKCAGTPY-CABCVRRESA-N 0 3 269.335 3.189 20 30 CGEDHN N#CCCCCNCc1cscc1Br ZINC000286540560 346421744 /nfs/dbraw/zinc/42/17/44/346421744.db2.gz ODECKDCAIWMYFH-UHFFFAOYSA-N 0 3 273.199 3.294 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2ccc(C(=O)OCC)o2)C1 ZINC000593627254 347096210 /nfs/dbraw/zinc/09/62/10/347096210.db2.gz BKNJXRAMKAILHN-OLZOCXBDSA-N 0 3 277.364 3.291 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593653753 347100412 /nfs/dbraw/zinc/10/04/12/347100412.db2.gz WNCKRMXGWMWJNL-FUHWJXTLSA-N 0 3 297.446 3.495 20 30 CGEDHN C[C@@H](NCC1(C#N)CCCC1)C1CCSCC1 ZINC000593654579 347101003 /nfs/dbraw/zinc/10/10/03/347101003.db2.gz IPNMRVJJGJZHED-GFCCVEGCSA-N 0 3 252.427 3.192 20 30 CGEDHN C[C@@H](Cc1ccc(F)cc1)NCC1(C#N)CCCC1 ZINC000405127027 346602545 /nfs/dbraw/zinc/60/25/45/346602545.db2.gz BFCWZZPVNCLBAT-ZDUSSCGKSA-N 0 3 260.356 3.430 20 30 CGEDHN N#CC1(CCN2CCC[C@]23CCOC3)CCCCC1 ZINC000411762400 346607155 /nfs/dbraw/zinc/60/71/55/346607155.db2.gz BLXLKXRVKGMFHO-MRXNPFEDSA-N 0 3 262.397 3.105 20 30 CGEDHN C=C1CCN(CC/C=C\c2cncc(OC)c2)CC1 ZINC000565305057 346661635 /nfs/dbraw/zinc/66/16/35/346661635.db2.gz USESRVUXOAFJQG-HYXAFXHYSA-N 0 3 258.365 3.146 20 30 CGEDHN C=CCCCCN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000571512756 346667415 /nfs/dbraw/zinc/66/74/15/346667415.db2.gz XGOBQQQSZSADBP-CYBMUJFWSA-N 0 3 278.362 3.159 20 30 CGEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccsc1)C(C)(C)C ZINC000491672343 346629357 /nfs/dbraw/zinc/62/93/57/346629357.db2.gz UAXCKBPBAUWWQO-CYBMUJFWSA-N 0 3 273.405 3.276 20 30 CGEDHN C#C[C@@H](NCc1ccc(SC)c(OC)c1)C(C)C ZINC000491704114 346629884 /nfs/dbraw/zinc/62/98/84/346629884.db2.gz HEULYNQURTXNCE-CYBMUJFWSA-N 0 3 263.406 3.165 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000586794543 346736717 /nfs/dbraw/zinc/73/67/17/346736717.db2.gz JPQJDLJHJREYMJ-JKSUJKDBSA-N 0 3 270.376 3.423 20 30 CGEDHN COc1ccc([C@@H](NCCCCC#N)c2ccccn2)cc1 ZINC000593705304 347105718 /nfs/dbraw/zinc/10/57/18/347105718.db2.gz XOCZWXPFUVISTO-GOSISDBHSA-N 0 3 295.386 3.463 20 30 CGEDHN C[C@@H]1CC[C@@H](CNC2(c3ccc(C#N)cc3)CCC2)O1 ZINC000594033420 347140859 /nfs/dbraw/zinc/14/08/59/347140859.db2.gz PRGHPLGORGEKQN-CJNGLKHVSA-N 0 3 270.376 3.095 20 30 CGEDHN N#Cc1ccc(C2(NCCOC3CCC3)CCC2)cc1 ZINC000594033683 347141050 /nfs/dbraw/zinc/14/10/50/347141050.db2.gz XVEWQFGJTUPLDT-UHFFFAOYSA-N 0 3 270.376 3.096 20 30 CGEDHN CC[C@H](C)N1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000594583049 347195764 /nfs/dbraw/zinc/19/57/64/347195764.db2.gz SEYBPEYCDSMAOC-LBPRGKRZSA-N 0 3 293.361 3.416 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCCC1CC1 ZINC000594400296 347172256 /nfs/dbraw/zinc/17/22/56/347172256.db2.gz AUXNZLWOZDEXQY-MRXNPFEDSA-N 0 3 270.376 3.065 20 30 CGEDHN CCCCc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594424389 347173780 /nfs/dbraw/zinc/17/37/80/347173780.db2.gz CMKYBNMHFQFVAA-MRXNPFEDSA-N 0 3 287.407 3.379 20 30 CGEDHN CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594424649 347173937 /nfs/dbraw/zinc/17/39/37/347173937.db2.gz CHNMABQUBKXITB-JKSUJKDBSA-N 0 3 287.407 3.055 20 30 CGEDHN CC(C)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594424662 347173974 /nfs/dbraw/zinc/17/39/74/347173974.db2.gz HSDBTCZNZOFBRH-OAHLLOKOSA-N 0 3 273.380 3.160 20 30 CGEDHN CC(F)(F)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594456355 347176388 /nfs/dbraw/zinc/17/63/88/347176388.db2.gz MWIWYIJVLAHPRN-CYBMUJFWSA-N 0 3 295.333 3.148 20 30 CGEDHN N#CCSCCCN1CCSC[C@@H]1c1ccccc1 ZINC000080628870 260316897 /nfs/dbraw/zinc/31/68/97/260316897.db2.gz FXTOOUHUUNTMIQ-OAHLLOKOSA-N 0 3 292.473 3.423 20 30 CGEDHN C[C@H](CN[C@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000594510599 347182958 /nfs/dbraw/zinc/18/29/58/347182958.db2.gz AVVSBVLVWGXZHQ-CHWSQXEVSA-N 0 3 288.391 3.187 20 30 CGEDHN C[C@@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)[C@H](C)O1 ZINC000594517279 347186638 /nfs/dbraw/zinc/18/66/38/347186638.db2.gz KDJQKGAREJHSOQ-WWGRRREGSA-N 0 3 270.376 3.093 20 30 CGEDHN C=CCN(CCCSCC#N)Cc1cccc(C#N)c1 ZINC000080627581 260317472 /nfs/dbraw/zinc/31/74/72/260317472.db2.gz ZDKBKKZBSKRSHU-UHFFFAOYSA-N 0 3 285.416 3.193 20 30 CGEDHN COC[C@H](C)Oc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000594943316 347236898 /nfs/dbraw/zinc/23/68/98/347236898.db2.gz BUYUDCRBDQAORZ-AWEZNQCLSA-N 0 3 290.407 3.130 20 30 CGEDHN C=CCCSCCNCc1cnc2cccc(C)n12 ZINC000594960095 347241552 /nfs/dbraw/zinc/24/15/52/347241552.db2.gz JQYYWYZHAFBPFM-UHFFFAOYSA-N 0 3 275.421 3.042 20 30 CGEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCCCC2)C1(C)C ZINC000595090481 347280578 /nfs/dbraw/zinc/28/05/78/347280578.db2.gz GFBIYSNDBNKDFY-KBPBESRZSA-N 0 3 264.413 3.254 20 30 CGEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCCCC2)cn1 ZINC000595092082 347281025 /nfs/dbraw/zinc/28/10/25/347281025.db2.gz WEHXKGZDEUZEPR-CQSZACIVSA-N 0 3 287.407 3.085 20 30 CGEDHN COC(=O)CC(C)(C)C[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595092257 347281166 /nfs/dbraw/zinc/28/11/66/347281166.db2.gz WLGQHFJDASVKGO-CQSZACIVSA-N 0 3 294.439 3.418 20 30 CGEDHN C[C@@H]1CCCC[C@H]1OCCN1CCC[C@@H](CC#N)C1 ZINC000595611535 347326211 /nfs/dbraw/zinc/32/62/11/347326211.db2.gz KIOWPIYYRLHOAF-OWCLPIDISA-N 0 3 264.413 3.207 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@@H](CC#N)C1 ZINC000595611536 347326242 /nfs/dbraw/zinc/32/62/42/347326242.db2.gz KIOWPIYYRLHOAF-PMPSAXMXSA-N 0 3 264.413 3.207 20 30 CGEDHN COCC[C@@H](c1ccccc1)N1CCC[C@H](CC#N)C1 ZINC000595621512 347328642 /nfs/dbraw/zinc/32/86/42/347328642.db2.gz VTHIXWZUICFJOR-WBVHZDCISA-N 0 3 272.392 3.390 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CC#N)C1 ZINC000595623102 347329577 /nfs/dbraw/zinc/32/95/77/347329577.db2.gz HMELHIHTPNOUAF-KBPBESRZSA-N 0 3 253.349 3.245 20 30 CGEDHN CC(C)(NC[C@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000595638350 347331023 /nfs/dbraw/zinc/33/10/23/347331023.db2.gz AXNZBLGOJQPCTB-OAHLLOKOSA-N 0 3 272.392 3.341 20 30 CGEDHN CCC1(CC)CCCN(Cc2ccc(C#N)cn2)C1 ZINC000595753454 347350422 /nfs/dbraw/zinc/35/04/22/347350422.db2.gz ULOGBYXGPLIXES-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OCC)cn1)C(C)(C)C ZINC000595766662 347353583 /nfs/dbraw/zinc/35/35/83/347353583.db2.gz YNYPJDLRUGYDKQ-UHFFFAOYSA-N 0 3 276.380 3.045 20 30 CGEDHN CO[C@H](CN1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000595428117 347302068 /nfs/dbraw/zinc/30/20/68/347302068.db2.gz MAPMNUAKTYKGJC-OAHLLOKOSA-N 0 3 264.413 3.207 20 30 CGEDHN CC(C)N1CCCC[C@@H]1COc1ccc(C#N)cc1F ZINC000596266740 347407667 /nfs/dbraw/zinc/40/76/67/347407667.db2.gz VABMGIOTNMDQBD-CQSZACIVSA-N 0 3 276.355 3.339 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1OC ZINC000595845447 347367017 /nfs/dbraw/zinc/36/70/17/347367017.db2.gz ODMPXYOZVMDZRZ-IYBDPMFKSA-N 0 3 268.360 3.250 20 30 CGEDHN C=C(C)CCN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595913387 347372607 /nfs/dbraw/zinc/37/26/07/347372607.db2.gz SZWDRYSKMVXPOB-LBPRGKRZSA-N 0 3 294.420 3.075 20 30 CGEDHN C[C@@H](NCC1(O)CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000596096017 347383260 /nfs/dbraw/zinc/38/32/60/347383260.db2.gz TZWIRLLVIWVNGE-UIORMTCPSA-N 0 3 290.382 3.289 20 30 CGEDHN C[C@@H](CC#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000596787961 347511300 /nfs/dbraw/zinc/51/13/00/347511300.db2.gz JIJVBHQEMMSYHD-AWEZNQCLSA-N 0 3 285.391 3.161 20 30 CGEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597010885 347527686 /nfs/dbraw/zinc/52/76/86/347527686.db2.gz YIHNQXMSJCRCHR-UHFFFAOYSA-N 0 3 284.403 3.243 20 30 CGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)CC1=CCCOC1 ZINC000597207234 347554411 /nfs/dbraw/zinc/55/44/11/347554411.db2.gz YZNYZQFLOLNMAO-UHFFFAOYSA-N 0 3 282.387 3.020 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000597781169 347592373 /nfs/dbraw/zinc/59/23/73/347592373.db2.gz QHCOODRDYKRETC-BMFZPTHFSA-N 0 3 270.376 3.331 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N(CC1CC1)CC1CC1 ZINC000598443130 347659284 /nfs/dbraw/zinc/65/92/84/347659284.db2.gz DINNEMLXKIOICP-GOSISDBHSA-N 0 3 296.414 3.408 20 30 CGEDHN CC(C)CN(Cc1cccc(Cl)c1)C(=O)C(C)C#N ZINC000598782746 347688235 /nfs/dbraw/zinc/68/82/35/347688235.db2.gz CHXUZCLJGVQQLN-GFCCVEGCSA-N 0 3 278.783 3.484 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1C[C@H]1C1CC1 ZINC000598961888 347700945 /nfs/dbraw/zinc/70/09/45/347700945.db2.gz BFPUUVXBKNOKLU-ONERCXAPSA-N 0 3 258.340 3.222 20 30 CGEDHN COc1cc(CNCC2(CC#N)CC2)cc(C(F)(F)F)c1 ZINC000598974422 347702292 /nfs/dbraw/zinc/70/22/92/347702292.db2.gz LDHCNTGQWRTZDV-UHFFFAOYSA-N 0 3 298.308 3.497 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc[nH]c1=O ZINC000599089029 347716290 /nfs/dbraw/zinc/71/62/90/347716290.db2.gz WICKRJABHFZSRN-KRWDZBQOSA-N 0 3 293.370 3.216 20 30 CGEDHN CCC(CC)(CNC(=O)C(C)C#N)c1ccc(F)cc1 ZINC000598581141 347665940 /nfs/dbraw/zinc/66/59/40/347665940.db2.gz BZEWPFZBFXIAAM-GFCCVEGCSA-N 0 3 276.355 3.159 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNC1(c2ccc(Cl)cc2)CC1 ZINC000598602261 347670083 /nfs/dbraw/zinc/67/00/83/347670083.db2.gz MPVQCQSAZHIGEM-AWEZNQCLSA-N 0 3 292.810 3.219 20 30 CGEDHN Cc1ccc(CN2CCC(OC(C)C)CC2)cc1C#N ZINC000599286341 347731861 /nfs/dbraw/zinc/73/18/61/347731861.db2.gz HSSYKMVZSVGZTR-UHFFFAOYSA-N 0 3 272.392 3.256 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(Cl)c1 ZINC000599344534 347737364 /nfs/dbraw/zinc/73/73/64/347737364.db2.gz FLTBRSPBUBUXBD-BXUZGUMPSA-N 0 3 278.783 3.045 20 30 CGEDHN CSC[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599426744 347743960 /nfs/dbraw/zinc/74/39/60/347743960.db2.gz OOPXQZCRGHKLME-HNNXBMFYSA-N 0 3 274.433 3.442 20 30 CGEDHN C=C(CC)CN1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587574 347755930 /nfs/dbraw/zinc/75/59/30/347755930.db2.gz FSMGCQUPVBGEDG-ZIAGYGMSSA-N 0 3 267.413 3.252 20 30 CGEDHN N#CC1(CNC[C@@H](O)CCc2ccccc2)CCCCC1 ZINC000600757241 347831896 /nfs/dbraw/zinc/83/18/96/347831896.db2.gz SUWLGTIATZYTGL-KRWDZBQOSA-N 0 3 286.419 3.044 20 30 CGEDHN COc1cc(F)cc(OC)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000601124034 347872160 /nfs/dbraw/zinc/87/21/60/347872160.db2.gz BSRTVCKMJWGPFL-AAEUAGOBSA-N 0 3 292.354 3.015 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)[C@@H](C)O1 ZINC000601149712 347875693 /nfs/dbraw/zinc/87/56/93/347875693.db2.gz QJYMVFLZKXJGPO-CKEIUWERSA-N 0 3 288.391 3.025 20 30 CGEDHN COc1cccc2c1OCCC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000601283121 347888922 /nfs/dbraw/zinc/88/89/22/347888922.db2.gz OSNFREVEMVUSTG-GZBFAFLISA-N 0 3 286.375 3.191 20 30 CGEDHN CS[C@H]1CCC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000602006342 347932671 /nfs/dbraw/zinc/93/26/71/347932671.db2.gz JZCUTPNKVNHWLN-OLZOCXBDSA-N 0 3 278.396 3.461 20 30 CGEDHN CN(Cc1cccc(C#N)n1)[C@@H]1CCCc2ccccc21 ZINC000602436619 347957209 /nfs/dbraw/zinc/95/72/09/347957209.db2.gz XWFBWMSVTNQMAL-GOSISDBHSA-N 0 3 277.371 3.463 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(=O)[nH]c1 ZINC000602443001 347958932 /nfs/dbraw/zinc/95/89/32/347958932.db2.gz FBKIIRBSGCOKKR-UHFFFAOYSA-N 0 3 281.359 3.071 20 30 CGEDHN CN(C)Cc1cccc(NC2CCC(C#N)CC2)c1 ZINC000602484803 347968036 /nfs/dbraw/zinc/96/80/36/347968036.db2.gz RHFJIGVUYVNREU-UHFFFAOYSA-N 0 3 257.381 3.242 20 30 CGEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602498846 347969853 /nfs/dbraw/zinc/96/98/53/347969853.db2.gz LLSSCPOXANMMQC-HNNXBMFYSA-N 0 3 272.392 3.184 20 30 CGEDHN CCCCO[C@@H]1C[C@@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602573624 347985601 /nfs/dbraw/zinc/98/56/01/347985601.db2.gz SUQPRDLHELTRKI-HZPDHXFCSA-N 0 3 287.407 3.027 20 30 CGEDHN C[C@H](CCC#N)CN[C@H]1COc2ccc(Cl)cc21 ZINC000602572438 347985752 /nfs/dbraw/zinc/98/57/52/347985752.db2.gz ZMBAISDAYZQSOI-MFKMUULPSA-N 0 3 264.756 3.303 20 30 CGEDHN C[C@H](C[C@@H]1CCCC(=O)N1)N[C@H](CCC#N)c1ccccc1 ZINC000602581905 347987947 /nfs/dbraw/zinc/98/79/47/347987947.db2.gz LUESQTULAWDRPR-HYVNUMGLSA-N 0 3 299.418 3.068 20 30 CGEDHN CC[C@H](C)[C@H](CNCc1ccc(C#N)c(Cl)c1)OC ZINC000602659974 348003518 /nfs/dbraw/zinc/00/35/18/348003518.db2.gz ZKKQENKKOPDPHI-NHYWBVRUSA-N 0 3 280.799 3.362 20 30 CGEDHN C[C@H](CCC#N)CN[C@H](C)c1nccn1-c1ccccc1 ZINC000602667825 348004847 /nfs/dbraw/zinc/00/48/47/348004847.db2.gz UJBBRNMSCHGSKH-HUUCEWRRSA-N 0 3 282.391 3.463 20 30 CGEDHN N#Cc1cccc(CNC[C@H](c2ccccc2)C2CC2)n1 ZINC000602670011 348004873 /nfs/dbraw/zinc/00/48/73/348004873.db2.gz LBHJFVLBBWRXJO-GOSISDBHSA-N 0 3 277.371 3.237 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2CCCCC(F)(F)C2)n1 ZINC000602672913 348005592 /nfs/dbraw/zinc/00/55/92/348005592.db2.gz ROQMWFLRRNJIMU-GFCCVEGCSA-N 0 3 279.334 3.258 20 30 CGEDHN C[C@@H](CCC#N)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000602672925 348006102 /nfs/dbraw/zinc/00/61/02/348006102.db2.gz RXGAGICUHYYULS-DZGCQCFKSA-N 0 3 257.381 3.404 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2cccc(C#N)n2)[C@H]1C(C)C ZINC000602683044 348008445 /nfs/dbraw/zinc/00/84/45/348008445.db2.gz OTCCKCHMFLNFRY-HOTGVXAUSA-N 0 3 257.381 3.066 20 30 CGEDHN C[C@H](CCC#N)CN[C@H](Cc1ccccc1)c1nccn1C ZINC000602698276 348012082 /nfs/dbraw/zinc/01/20/82/348012082.db2.gz JFXABMWNJSYFLR-NVXWUHKLSA-N 0 3 296.418 3.233 20 30 CGEDHN N#CCC1(CN2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000602788760 348029304 /nfs/dbraw/zinc/02/93/04/348029304.db2.gz QMIVYOALBHEVPR-AWEZNQCLSA-N 0 3 258.340 3.309 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(C#N)n2)CCc2ccccc21 ZINC000602711312 348015735 /nfs/dbraw/zinc/01/57/35/348015735.db2.gz JCNLIELTVYDIDV-CQSZACIVSA-N 0 3 277.371 3.115 20 30 CGEDHN CC1(C)CCC[C@@H]1CCNCc1cccc(C#N)n1 ZINC000602720979 348017270 /nfs/dbraw/zinc/01/72/70/348017270.db2.gz NQACRYRNNPOEGZ-CYBMUJFWSA-N 0 3 257.381 3.259 20 30 CGEDHN COc1cccc(C[C@@H]2CCCN2CC2(CC#N)CC2)c1 ZINC000602769675 348026354 /nfs/dbraw/zinc/02/63/54/348026354.db2.gz URLFLJYMKQDAMB-INIZCTEOSA-N 0 3 284.403 3.396 20 30 CGEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)CC1(CC#N)CC1 ZINC000602794716 348030614 /nfs/dbraw/zinc/03/06/14/348030614.db2.gz JHPRDQUSAWUZRP-CJNGLKHVSA-N 0 3 270.376 3.004 20 30 CGEDHN N#CCC1(CN[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000602805773 348031360 /nfs/dbraw/zinc/03/13/60/348031360.db2.gz PZOSRAFMOCFLCI-GOSISDBHSA-N 0 3 297.446 3.497 20 30 CGEDHN N#CCC1(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602842723 348035831 /nfs/dbraw/zinc/03/58/31/348035831.db2.gz SFRYJFDIYUARSG-HNNXBMFYSA-N 0 3 299.374 3.468 20 30 CGEDHN CCC[C@H](C)CCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849717 348036207 /nfs/dbraw/zinc/03/62/07/348036207.db2.gz MUSUSVDMSZIGCL-HRCADAONSA-N 0 3 265.445 3.121 20 30 CGEDHN N#CCC1(CN2CCC3(CCSCC3)CC2)CC1 ZINC000602950106 348047060 /nfs/dbraw/zinc/04/70/60/348047060.db2.gz ITFAWWHYMUAGLX-UHFFFAOYSA-N 0 3 264.438 3.289 20 30 CGEDHN COc1ccccc1C(C)(C)CNCc1ccc(C#N)o1 ZINC000610270759 348369515 /nfs/dbraw/zinc/36/95/15/348369515.db2.gz CKAQPDOURQMHQQ-UHFFFAOYSA-N 0 3 284.359 3.227 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000609920329 348357906 /nfs/dbraw/zinc/35/79/06/348357906.db2.gz GHYUXMYMPCWQMT-VXGBXAGGSA-N 0 3 299.399 3.162 20 30 CGEDHN C[C@H]1COCCCN1Cc1ccccc1C(C)(C)C#N ZINC000610990573 348414143 /nfs/dbraw/zinc/41/41/43/348414143.db2.gz BHVCYNHMBWMLRD-AWEZNQCLSA-N 0 3 272.392 3.099 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]2Cc2ccc(F)cc2)ccn1 ZINC000610991507 348414296 /nfs/dbraw/zinc/41/42/96/348414296.db2.gz MCXUTJIVVAGTQR-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN CC[C@H](C)[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610993344 348414746 /nfs/dbraw/zinc/41/47/46/348414746.db2.gz NOTIHJYOGLWNHR-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN CN(Cc1ccnc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000610992011 348415258 /nfs/dbraw/zinc/41/52/58/348415258.db2.gz ZIYOEKPZCMUEMV-KRWDZBQOSA-N 0 3 263.344 3.073 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(C)nc1C ZINC000611335540 348438772 /nfs/dbraw/zinc/43/87/72/348438772.db2.gz AVOCJQPSZALGGV-GFCCVEGCSA-N 0 3 250.411 3.268 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(C)nc1C ZINC000611335541 348438898 /nfs/dbraw/zinc/43/88/98/348438898.db2.gz AVOCJQPSZALGGV-LBPRGKRZSA-N 0 3 250.411 3.268 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCNc1ccccn1 ZINC000611393674 348445896 /nfs/dbraw/zinc/44/58/96/348445896.db2.gz ZUBUAVRLXAVXCS-KRWDZBQOSA-N 0 3 292.386 3.032 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@@H]1Cc2ccccc2NC1=O ZINC000624182642 349994651 /nfs/dbraw/zinc/99/46/51/349994651.db2.gz LNWWCPCAYVBEQG-CZUORRHYSA-N 0 3 272.392 3.274 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000614167397 348654256 /nfs/dbraw/zinc/65/42/56/348654256.db2.gz HTMCSVGNFGJZTQ-UHFFFAOYSA-N 0 3 297.446 3.158 20 30 CGEDHN C[C@H](O)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166901 348654577 /nfs/dbraw/zinc/65/45/77/348654577.db2.gz KFNAPVPOMGCZEV-AWEZNQCLSA-N 0 3 286.419 3.081 20 30 CGEDHN CCOc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H](C#N)C1)CCO2 ZINC000613666881 348626587 /nfs/dbraw/zinc/62/65/87/348626587.db2.gz VEOKAFYASXTASM-DVOMOZLQSA-N 0 3 286.375 3.191 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](CO)c1ccccc1 ZINC000614397410 348673050 /nfs/dbraw/zinc/67/30/50/348673050.db2.gz RMFGJXYABCIGGZ-SFHVURJKSA-N 0 3 280.371 3.032 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCCOC(C)(C)C1 ZINC000615438941 348739622 /nfs/dbraw/zinc/73/96/22/348739622.db2.gz BKXLAZVMSBJOHM-CYBMUJFWSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccccc2C#N)C1 ZINC000339503769 215215619 /nfs/dbraw/zinc/21/56/19/215215619.db2.gz GSCOHEOXJOADHN-KDOFPFPSSA-N 0 3 286.419 3.225 20 30 CGEDHN CCN(C)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000616475735 348824323 /nfs/dbraw/zinc/82/43/23/348824323.db2.gz DCGMIACZDWEHFY-CQSZACIVSA-N 0 3 294.402 3.260 20 30 CGEDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000358557644 233154521 /nfs/dbraw/zinc/15/45/21/233154521.db2.gz CGPHSOIAPHUZNT-XFBWCDHKSA-N 0 3 276.355 3.306 20 30 CGEDHN Cc1cc(C[C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)[nH]n1 ZINC000358557650 233154529 /nfs/dbraw/zinc/15/45/29/233154529.db2.gz CHJYCMFCEBAELD-ZYHUDNBSSA-N 0 3 286.354 3.011 20 30 CGEDHN Cc1cc(C[C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358557650 233154530 /nfs/dbraw/zinc/15/45/30/233154530.db2.gz CHJYCMFCEBAELD-ZYHUDNBSSA-N 0 3 286.354 3.011 20 30 CGEDHN CN1CCC(N(C(=O)CC(C)(C)C#N)c2ccccc2)CC1 ZINC000618638691 349133677 /nfs/dbraw/zinc/13/36/77/349133677.db2.gz YHPYHZPNZPOVKP-UHFFFAOYSA-N 0 3 299.418 3.054 20 30 CGEDHN C[C@H](c1ccsc1)N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000618887830 349175519 /nfs/dbraw/zinc/17/55/19/349175519.db2.gz KWSWDFMCSOMKBK-LSDHHAIUSA-N 0 3 291.464 3.367 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cocc1C)C(C)C ZINC000625557278 350183922 /nfs/dbraw/zinc/18/39/22/350183922.db2.gz OCKVOPFCXKXYEW-MRXNPFEDSA-N 0 3 290.407 3.016 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000625702943 350200078 /nfs/dbraw/zinc/20/00/78/350200078.db2.gz KBKFRGHQMMONMO-CYBMUJFWSA-N 0 3 269.348 3.135 20 30 CGEDHN C=C(C)CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625741992 350206678 /nfs/dbraw/zinc/20/66/78/350206678.db2.gz IAKKKYZAWAQWIH-DGCLKSJQSA-N 0 3 271.282 3.087 20 30 CGEDHN C=C(C)CN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625996279 350242855 /nfs/dbraw/zinc/24/28/55/350242855.db2.gz YAYZVCBBNSVDMM-UHFFFAOYSA-N 0 3 275.396 3.168 20 30 CGEDHN C=CCN(Cc1ccc(OC)c(OC2CC2)c1)C1CC1 ZINC000628238259 350460002 /nfs/dbraw/zinc/46/00/02/350460002.db2.gz RIJSQWBPADRGSK-UHFFFAOYSA-N 0 3 273.376 3.387 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000628406244 350529659 /nfs/dbraw/zinc/52/96/59/350529659.db2.gz FPJIJHPGBUYVSA-HNNXBMFYSA-N 0 3 297.402 3.279 20 30 CGEDHN C=CCC1(CNCc2ncnn2C(C)C)CCCC1 ZINC000631152743 350971956 /nfs/dbraw/zinc/97/19/56/350971956.db2.gz LCKWCNSRCTXZHM-UHFFFAOYSA-N 0 3 262.401 3.085 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCOc2c(OC)cccc21 ZINC000631598995 351085882 /nfs/dbraw/zinc/08/58/82/351085882.db2.gz HQUWNZSJGLRNQV-HNNXBMFYSA-N 0 3 291.391 3.091 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633376718 351289062 /nfs/dbraw/zinc/28/90/62/351289062.db2.gz ZISZJZPBIMYWOZ-CYBMUJFWSA-N 0 3 290.407 3.298 20 30 CGEDHN CCC(CC)N(CCOC)Cc1ccc(C#N)s1 ZINC000124243865 187127797 /nfs/dbraw/zinc/12/77/97/187127797.db2.gz BXQYLYTXCIOFJZ-UHFFFAOYSA-N 0 3 266.410 3.257 20 30 CGEDHN C=CCN(CCC(=O)Nc1ccccc1OCC)C1CC1 ZINC000271519619 191189520 /nfs/dbraw/zinc/18/95/20/191189520.db2.gz VOJFXZBYXXRFPI-UHFFFAOYSA-N 0 3 288.391 3.064 20 30 CGEDHN C#CCSCCNCc1ccc(CSC(F)F)o1 ZINC000152935328 188054518 /nfs/dbraw/zinc/05/45/18/188054518.db2.gz CFNIOHLANUGDAG-UHFFFAOYSA-N 0 3 291.388 3.191 20 30 CGEDHN C#CCOc1ccc([C@H](C)NC[C@@H](O)c2ccccc2)cc1 ZINC000153802204 188104728 /nfs/dbraw/zinc/10/47/28/188104728.db2.gz YBZPHHNXQQBWNZ-HNAYVOBHSA-N 0 3 295.382 3.083 20 30 CGEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1C1CCOCC1 ZINC000336420679 213279057 /nfs/dbraw/zinc/27/90/57/213279057.db2.gz OFCZPLICSDMEKX-QGZVFWFLSA-N 0 3 288.366 3.088 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000334736583 283058612 /nfs/dbraw/zinc/05/86/12/283058612.db2.gz MFPIVEUYTRFJEC-CJNGLKHVSA-N 0 3 268.360 3.174 20 30 CGEDHN Cc1cccc([C@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000271825652 191350396 /nfs/dbraw/zinc/35/03/96/191350396.db2.gz DBJBZTPCGIGWAY-KBXCAEBGSA-N 0 3 280.371 3.251 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC000449449818 283139256 /nfs/dbraw/zinc/13/92/56/283139256.db2.gz FBUCQTXVNQYNCE-XHSDSOJGSA-N 0 3 290.432 3.135 20 30 CGEDHN COc1ccc(O[C@H](C)CNCc2ccc(C#N)cc2)cc1 ZINC000174604776 188909267 /nfs/dbraw/zinc/90/92/67/188909267.db2.gz MLLRVIPXQYIQDD-CQSZACIVSA-N 0 3 296.370 3.124 20 30 CGEDHN Cc1nc2ccccn2c1CN[C@H](C)c1ccc(C#N)cc1 ZINC000124610958 138376300 /nfs/dbraw/zinc/37/63/00/138376300.db2.gz COERAHJCRAJVET-CYBMUJFWSA-N 0 3 290.370 3.365 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000177445376 189051506 /nfs/dbraw/zinc/05/15/06/189051506.db2.gz YWCHDYVKUPJGRA-DOTOQJQBSA-N 0 3 286.419 3.122 20 30 CGEDHN C=CCCCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000177849445 189074043 /nfs/dbraw/zinc/07/40/43/189074043.db2.gz YLYJPYYQSGOVMA-UHFFFAOYSA-N 0 3 290.407 3.059 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC000178791980 189146348 /nfs/dbraw/zinc/14/63/48/189146348.db2.gz NDWSXQMDLIYCKZ-CVEARBPZSA-N 0 3 288.366 3.135 20 30 CGEDHN CCC(CC)[C@H]1C[C@H](NCc2ccc(C#N)o2)CCO1 ZINC000180375459 189251991 /nfs/dbraw/zinc/25/19/91/189251991.db2.gz FHCLNVMOXHPDEP-CZUORRHYSA-N 0 3 276.380 3.225 20 30 CGEDHN CC1(C)C[C@@H](NCc2ccc(C#N)s2)C(C)(C)O1 ZINC000180366744 189251931 /nfs/dbraw/zinc/25/19/31/189251931.db2.gz ICIOBGDLIHVHFJ-GFCCVEGCSA-N 0 3 264.394 3.055 20 30 CGEDHN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccc(C#N)cc1 ZINC000181564513 189300826 /nfs/dbraw/zinc/30/08/26/189300826.db2.gz UBESFXUDWVRQMQ-KGLIPLIRSA-N 0 3 280.371 3.462 20 30 CGEDHN N#Cc1ccc(CNC2CC(C(F)(F)F)C2)c(F)c1 ZINC000342310124 216306092 /nfs/dbraw/zinc/30/60/92/216306092.db2.gz TZYACQGPZMHNKQ-UHFFFAOYSA-N 0 3 272.245 3.128 20 30 CGEDHN C[C@@H](NCCC(=O)N1CCCCCC1)c1cccc(C#N)c1 ZINC000181634469 189302731 /nfs/dbraw/zinc/30/27/31/189302731.db2.gz YYLXEHSTDRRTJM-OAHLLOKOSA-N 0 3 299.418 3.002 20 30 CGEDHN Cc1noc(C)c1CCN[C@H](C)c1cccc(C#N)c1 ZINC000181980947 189311443 /nfs/dbraw/zinc/31/14/43/189311443.db2.gz RQEITXWGSKIWOG-LLVKDONJSA-N 0 3 269.348 3.056 20 30 CGEDHN C[C@H](NCCc1ccco1)c1ccc(C#N)cc1F ZINC000119614087 370692098 /nfs/dbraw/zinc/69/20/98/370692098.db2.gz GPSUUXDKBLEJKV-NSHDSACASA-N 0 3 258.296 3.184 20 30 CGEDHN CC[C@@H]1CCCCN1CCNc1cc(C#N)ccc1C(C)=O ZINC000302132269 201355324 /nfs/dbraw/zinc/35/53/24/201355324.db2.gz YNNQIVCXIPQBPO-MRXNPFEDSA-N 0 3 299.418 3.437 20 30 CGEDHN N#Cc1ccc(CNCC[C@H]2CCc3ccccc32)o1 ZINC000449381913 239370896 /nfs/dbraw/zinc/37/08/96/239370896.db2.gz ZTQIPCUZPTXELJ-CQSZACIVSA-N 0 3 266.344 3.361 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000120561138 370781867 /nfs/dbraw/zinc/78/18/67/370781867.db2.gz STRBXWFBXGXWSF-STQMWFEESA-N 0 3 258.365 3.045 20 30 CGEDHN CC(C)[C@@H]1N(Cc2ccc(C#N)s2)CC12CCOCC2 ZINC000335638902 212354604 /nfs/dbraw/zinc/35/46/04/212354604.db2.gz NBBCKPFRIHAACK-HNNXBMFYSA-N 0 3 290.432 3.257 20 30 CGEDHN COc1cc(C#N)ccc1CN1[C@@H](C)CCC1(C)C ZINC000452007963 240394774 /nfs/dbraw/zinc/39/47/74/240394774.db2.gz ODCDLJNEHNEQPZ-LBPRGKRZSA-N 0 3 258.365 3.330 20 30 CGEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000121553347 370873275 /nfs/dbraw/zinc/87/32/75/370873275.db2.gz ANDRLEJWVZMIDO-SFHVURJKSA-N 0 3 298.361 3.253 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000121786810 370896315 /nfs/dbraw/zinc/89/63/15/370896315.db2.gz VGNUNSDJXKVKPT-NXHRZFHOSA-N 0 3 299.414 3.299 20 30 CGEDHN C#CCOc1ccccc1CNc1cccc(CN(C)C)c1 ZINC000121751931 370891259 /nfs/dbraw/zinc/89/12/59/370891259.db2.gz JFRYPKQKQRJSIZ-UHFFFAOYSA-N 0 3 294.398 3.372 20 30 CGEDHN Cc1cnc([C@H](C)NCCCC(C)(C)C#N)s1 ZINC000124353951 370922478 /nfs/dbraw/zinc/92/24/78/370922478.db2.gz APRCUIHYNDYTRC-NSHDSACASA-N 0 3 251.399 3.432 20 30 CGEDHN C=CCc1cc(CN2CCC[C@@H]2C)cc(OC)c1O ZINC000124324191 370922816 /nfs/dbraw/zinc/92/28/16/370922816.db2.gz OSRGDPHGXFGNLF-LBPRGKRZSA-N 0 3 261.365 3.114 20 30 CGEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000026466430 368859924 /nfs/dbraw/zinc/85/99/24/368859924.db2.gz ABGYQYIXZZINBK-XJKSGUPXSA-N 0 3 285.391 3.007 20 30 CGEDHN CN(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000034674005 368976902 /nfs/dbraw/zinc/97/69/02/368976902.db2.gz HMVMZSRSSJJBOR-UHFFFAOYSA-N 0 3 266.344 3.069 20 30 CGEDHN N#CC(C(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 ZINC000046706264 369295833 /nfs/dbraw/zinc/29/58/33/369295833.db2.gz PHXXYNFWWZEMSF-LBPRGKRZSA-N 0 3 297.264 3.331 20 30 CGEDHN C=CCCN(C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000276167811 193231197 /nfs/dbraw/zinc/23/11/97/193231197.db2.gz SAWBYYNFWKWCPG-UHFFFAOYSA-N 0 3 279.380 3.110 20 30 CGEDHN N#Cc1ccc(NCCN2CCCC2)cc1C(F)(F)F ZINC000054134226 369496332 /nfs/dbraw/zinc/49/63/32/369496332.db2.gz KBNISZYGCXGQLH-UHFFFAOYSA-N 0 3 283.297 3.085 20 30 CGEDHN C=CCOc1ccccc1CN(C)CC(C)(C)OC ZINC000537725649 376196661 /nfs/dbraw/zinc/19/66/61/376196661.db2.gz ZOGQXCHJQGGHSM-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN Cn1cccc1[C@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000057623020 369543278 /nfs/dbraw/zinc/54/32/78/369543278.db2.gz YCJMVPFDTMKPLC-GOSISDBHSA-N 0 3 295.386 3.113 20 30 CGEDHN C=CCCN(C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000276489538 193353680 /nfs/dbraw/zinc/35/36/80/193353680.db2.gz UNPYKIVOBIMFGS-UHFFFAOYSA-N 0 3 271.360 3.363 20 30 CGEDHN CCOCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000069678460 369765778 /nfs/dbraw/zinc/76/57/78/369765778.db2.gz BBLYTZSVRNFQND-UHFFFAOYSA-N 0 3 280.371 3.385 20 30 CGEDHN N#Cc1ccc(CN(CCc2cccc(F)c2)C2CC2)o1 ZINC000093438585 370128764 /nfs/dbraw/zinc/12/87/64/370128764.db2.gz URRLUUAGAYPMQF-UHFFFAOYSA-N 0 3 284.334 3.497 20 30 CGEDHN C=CCCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129688791 370998015 /nfs/dbraw/zinc/99/80/15/370998015.db2.gz HMRCEOJGTXGZNF-LBPRGKRZSA-N 0 3 296.296 3.079 20 30 CGEDHN CCCCN(CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000132637412 371190184 /nfs/dbraw/zinc/19/01/84/371190184.db2.gz QMMCWKFKEZTYDL-GFCCVEGCSA-N 0 3 291.395 3.217 20 30 CGEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)cc1 ZINC000134227130 371312876 /nfs/dbraw/zinc/31/28/76/371312876.db2.gz DIUDSWGKOGLAOG-LIRRHRJNSA-N 0 3 292.382 3.382 20 30 CGEDHN COc1ccccc1CCNCc1ccc(C#N)cc1F ZINC000219955783 376205788 /nfs/dbraw/zinc/20/57/88/376205788.db2.gz ISODSVIQVHTZQU-UHFFFAOYSA-N 0 3 284.334 3.038 20 30 CGEDHN CS[C@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000134565359 371350283 /nfs/dbraw/zinc/35/02/83/371350283.db2.gz HWKZSWUYUHJMIC-AWEZNQCLSA-N 0 3 278.396 3.415 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000151851856 371642050 /nfs/dbraw/zinc/64/20/50/371642050.db2.gz MMQXKNXPMKYQPI-IRXDYDNUSA-N 0 3 296.370 3.239 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000289559905 371761418 /nfs/dbraw/zinc/76/14/18/371761418.db2.gz AHWLFNKIIVQKMI-WCQYABFASA-N 0 3 283.799 3.325 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CC=CCC1 ZINC000344066546 217035112 /nfs/dbraw/zinc/03/51/12/217035112.db2.gz PLYLSMKEAQYELS-GJZGRUSLSA-N 0 3 297.402 3.173 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000289978207 371868522 /nfs/dbraw/zinc/86/85/22/371868522.db2.gz XTJQYPULFUYGPD-JSGCOSHPSA-N 0 3 265.422 3.385 20 30 CGEDHN C=CCN(C)Cc1ccc(OCCC)c(OCC)c1 ZINC000154794933 371879442 /nfs/dbraw/zinc/87/94/42/371879442.db2.gz YSKSJMRRCRKSTN-UHFFFAOYSA-N 0 3 263.381 3.492 20 30 CGEDHN C#C[C@H](NCc1c(C)nn(-c2ccccn2)c1C)C(C)(C)C ZINC000290234133 371942232 /nfs/dbraw/zinc/94/22/32/371942232.db2.gz TXUJAHJUDORDJV-INIZCTEOSA-N 0 3 296.418 3.022 20 30 CGEDHN C[C@H](NCCn1cnc2ccccc21)c1cccc(C#N)c1 ZINC000344104363 217051679 /nfs/dbraw/zinc/05/16/79/217051679.db2.gz JERXXWGYVICPAU-AWEZNQCLSA-N 0 3 290.370 3.259 20 30 CGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cccs1 ZINC000344114233 217057058 /nfs/dbraw/zinc/05/70/58/217057058.db2.gz NGHBJWKNFDTXCV-UHFFFAOYSA-N 0 3 286.400 3.268 20 30 CGEDHN CCOCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000344124515 217060430 /nfs/dbraw/zinc/06/04/30/217060430.db2.gz XCGRDDKTOCPUEM-LBPRGKRZSA-N 0 3 278.371 3.411 20 30 CGEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)[C@H](C)C1 ZINC000425034490 372108486 /nfs/dbraw/zinc/10/84/86/372108486.db2.gz CERVLWYMPXACGH-BFYDXBDKSA-N 0 3 284.403 3.406 20 30 CGEDHN O[C@@H]1CCCC[C@@H]1[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000291080065 372112836 /nfs/dbraw/zinc/11/28/36/372112836.db2.gz GLYNGVYMVNQCMD-VAMGGRTRSA-N 0 3 297.442 3.444 20 30 CGEDHN C[C@H](Cc1cccc(O)c1)NCc1ccc(C#N)cc1F ZINC000344205947 217097970 /nfs/dbraw/zinc/09/79/70/217097970.db2.gz DBBFYNFIXUKAGG-GFCCVEGCSA-N 0 3 284.334 3.124 20 30 CGEDHN C=CCCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554077 372132289 /nfs/dbraw/zinc/13/22/89/372132289.db2.gz VGDHVUJHXXRWDD-HUUCEWRRSA-N 0 3 265.784 3.414 20 30 CGEDHN CC(C)N(CC#Cc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000291602236 372171414 /nfs/dbraw/zinc/17/14/14/372171414.db2.gz BXTDCYYJAVOOJC-INIZCTEOSA-N 0 3 277.795 3.191 20 30 CGEDHN Cc1cccc([C@H]2CCCN2CCCSCC#N)n1 ZINC000160035133 372204745 /nfs/dbraw/zinc/20/47/45/372204745.db2.gz BDDDVWQINQVYKT-OAHLLOKOSA-N 0 3 275.421 3.174 20 30 CGEDHN CCC(CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000433122619 372581780 /nfs/dbraw/zinc/58/17/80/372581780.db2.gz WGZQTIRMDGAIEL-CQSZACIVSA-N 0 3 258.365 3.064 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@H](O)CC(C)(C)C2)c1 ZINC000295143988 372695499 /nfs/dbraw/zinc/69/54/99/372695499.db2.gz BZXBVRTXAITLGU-INIZCTEOSA-N 0 3 289.419 3.234 20 30 CGEDHN N#CCC[C@H](NCC[C@@H]1CCOC1)c1ccccc1 ZINC000437760646 372857710 /nfs/dbraw/zinc/85/77/10/372857710.db2.gz QQYHORDJVLMJQN-ZBFHGGJFSA-N 0 3 258.365 3.048 20 30 CGEDHN CC1(C)CCC[C@@](O)(CNCc2ccc(C#N)cc2F)C1 ZINC000438332091 372927689 /nfs/dbraw/zinc/92/76/89/372927689.db2.gz QCXICCDOZDPBCS-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2cccc(Cl)c2)[C@@H]2CCO[C@H]21 ZINC000295837607 372929873 /nfs/dbraw/zinc/92/98/73/372929873.db2.gz CTSXWBLHANMMQB-ARFHVFGLSA-N 0 3 289.806 3.095 20 30 CGEDHN C=CCN(Cc1ccccc1)CC1(CC(=O)OC)CC1 ZINC000440705729 372991100 /nfs/dbraw/zinc/99/11/00/372991100.db2.gz PKSCUWBIXHVDGR-UHFFFAOYSA-N 0 3 273.376 3.018 20 30 CGEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442774375 373077276 /nfs/dbraw/zinc/07/72/76/373077276.db2.gz FADMGXKMGGHSNU-JQWIXIFHSA-N 0 3 298.308 3.496 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccncc1OCC(F)F ZINC000442859949 373107451 /nfs/dbraw/zinc/10/74/51/373107451.db2.gz VYNZHSRCJKGPAC-VXGBXAGGSA-N 0 3 284.350 3.416 20 30 CGEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000442874186 373114024 /nfs/dbraw/zinc/11/40/24/373114024.db2.gz LZKWYBWNMMFFAO-GUTXKFCHSA-N 0 3 256.349 3.019 20 30 CGEDHN CSCc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442878482 373114313 /nfs/dbraw/zinc/11/43/13/373114313.db2.gz UEDKPQYDTJFBLM-WFASDCNBSA-N 0 3 260.406 3.331 20 30 CGEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000443968965 373164779 /nfs/dbraw/zinc/16/47/79/373164779.db2.gz FCZPWSFQRGFLEX-LBPRGKRZSA-N 0 3 272.392 3.495 20 30 CGEDHN COc1cc(CN2CCCC[C@@H](SC)C2)ccc1C#N ZINC000442890243 373122761 /nfs/dbraw/zinc/12/27/61/373122761.db2.gz NZRXMZBWKJEJIV-OAHLLOKOSA-N 0 3 290.432 3.284 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](C)c2cncc(C)c2)cc1 ZINC000296469801 373145670 /nfs/dbraw/zinc/14/56/70/373145670.db2.gz NRWMTZUFFBFDIZ-HNNXBMFYSA-N 0 3 280.371 3.253 20 30 CGEDHN C=CC[C@H]1N(CC(=O)NC2CCCC2)CCCC1(C)C ZINC000444776979 373272029 /nfs/dbraw/zinc/27/20/29/373272029.db2.gz QTOGQJBEOKEVCL-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN COc1cccc(O[C@H](C)CNCc2cccc(C#N)c2)c1 ZINC000174587628 373341168 /nfs/dbraw/zinc/34/11/68/373341168.db2.gz RMPPUHDXGWDSJO-CQSZACIVSA-N 0 3 296.370 3.124 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)o1)Sc1ccccc1 ZINC000174608196 373344337 /nfs/dbraw/zinc/34/43/37/373344337.db2.gz MOTWCIHHEOTYJV-GFCCVEGCSA-N 0 3 272.373 3.422 20 30 CGEDHN CCc1cnccc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000446809335 373364834 /nfs/dbraw/zinc/36/48/34/373364834.db2.gz IEWAORRKQAOGKN-YDHLFZDLSA-N 0 3 257.381 3.377 20 30 CGEDHN C=CCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000175099819 373407570 /nfs/dbraw/zinc/40/75/70/373407570.db2.gz BAXNQMDGVQEGCK-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000447589151 373459899 /nfs/dbraw/zinc/45/98/99/373459899.db2.gz WZJWMSIAIHZKJA-WQVCFCJDSA-N 0 3 276.355 3.185 20 30 CGEDHN COc1cc(CN[C@H](c2cccnc2)C(C)C)ccc1C#N ZINC000353634014 220208491 /nfs/dbraw/zinc/20/84/91/220208491.db2.gz YVBGKKNVDOJKOC-SFHVURJKSA-N 0 3 295.386 3.449 20 30 CGEDHN CCS[C@H]1CCC[C@@H]1NCc1cccc(C#N)c1F ZINC000300669059 373637522 /nfs/dbraw/zinc/63/75/22/373637522.db2.gz QLXHRDVWSPFCEX-KBPBESRZSA-N 0 3 278.396 3.461 20 30 CGEDHN CC#CCCNCc1cnc(-c2ccccc2F)s1 ZINC000449224962 373673138 /nfs/dbraw/zinc/67/31/38/373673138.db2.gz IYOKHSVMIGVGBQ-UHFFFAOYSA-N 0 3 274.364 3.452 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H]2C2CC2)cc1OC ZINC000449426029 373697684 /nfs/dbraw/zinc/69/76/84/373697684.db2.gz OMYJJYUIPCNPKQ-HNNXBMFYSA-N 0 3 273.376 3.244 20 30 CGEDHN C=CC(C)(C)CNCc1nccn1Cc1ccccc1 ZINC000449486424 373775567 /nfs/dbraw/zinc/77/55/67/373775567.db2.gz SFHCNGSWMHKMPK-UHFFFAOYSA-N 0 3 269.392 3.233 20 30 CGEDHN C=CCC1(NCc2cn(C(C)(C)C)nn2)CCCCC1 ZINC000449575857 373834416 /nfs/dbraw/zinc/83/44/16/373834416.db2.gz ONOCKRZHDRCYDB-UHFFFAOYSA-N 0 3 276.428 3.402 20 30 CGEDHN C=CCC1(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CCCC1 ZINC000449612871 373835772 /nfs/dbraw/zinc/83/57/72/373835772.db2.gz PCLJFTPZBHGHQZ-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000449643356 373837859 /nfs/dbraw/zinc/83/78/59/373837859.db2.gz AMLYHIIZQVMVFS-ZNMIVQPWSA-N 0 3 286.419 3.297 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)s1 ZINC000449760375 373886974 /nfs/dbraw/zinc/88/69/74/373886974.db2.gz OCVBOFUZWRKZRA-ZIAGYGMSSA-N 0 3 264.394 3.057 20 30 CGEDHN CN(C)[C@H](CNc1c(C#N)cccc1C#N)c1ccccc1 ZINC000302410719 373863957 /nfs/dbraw/zinc/86/39/57/373863957.db2.gz GRHKGXBXBZKONQ-QGZVFWFLSA-N 0 3 290.370 3.145 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000179797362 373919358 /nfs/dbraw/zinc/91/93/58/373919358.db2.gz FKMQOAQSPDDZAK-CQSZACIVSA-N 0 3 274.408 3.223 20 30 CGEDHN C=CCN(CC(=O)N1CCC[C@@H](C)C1)CC1CCCCC1 ZINC000303426331 374015650 /nfs/dbraw/zinc/01/56/50/374015650.db2.gz BZQFNQKBEGKWSF-MRXNPFEDSA-N 0 3 292.467 3.313 20 30 CGEDHN CCCc1ccc2nccc(NCCCC#N)c2c1 ZINC000450433205 374125574 /nfs/dbraw/zinc/12/55/74/374125574.db2.gz DKIWBVDGGYXSGU-UHFFFAOYSA-N 0 3 253.349 3.325 20 30 CGEDHN CCS[C@@H]1CC[C@@H](N(C)CC2(C#N)CCC2)C1 ZINC000450457829 374143917 /nfs/dbraw/zinc/14/39/17/374143917.db2.gz SLISRUJUWFFWAV-CHWSQXEVSA-N 0 3 252.427 3.286 20 30 CGEDHN C[C@H](NCCCSCC#N)c1ccc(F)cc1F ZINC000181595997 374144536 /nfs/dbraw/zinc/14/45/36/374144536.db2.gz SPJQYKWMDCVFOL-JTQLQIEISA-N 0 3 270.348 3.262 20 30 CGEDHN CCC(C)(C)OCCN[C@@H](C)c1cccc(C#N)c1 ZINC000308733261 374178092 /nfs/dbraw/zinc/17/80/92/374178092.db2.gz KKKGGOVAFYBLOG-ZDUSSCGKSA-N 0 3 260.381 3.414 20 30 CGEDHN CC[C@H](NCCOc1cccc(C#N)c1)c1c(C)noc1C ZINC000182392927 374267658 /nfs/dbraw/zinc/26/76/58/374267658.db2.gz UFPVUZMWMHXQBW-INIZCTEOSA-N 0 3 299.374 3.283 20 30 CGEDHN C=CCCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181192 541910322 /nfs/dbraw/zinc/91/03/22/541910322.db2.gz ALBZABMYHZBFAR-OCAPTIKFSA-N 0 3 261.209 3.235 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC(C)(C)CC1 ZINC000316579495 374334721 /nfs/dbraw/zinc/33/47/21/374334721.db2.gz RYEVNJVBOKGTDM-CQSZACIVSA-N 0 3 299.418 3.397 20 30 CGEDHN C=CCC[C@@H](CO)NCc1c(OC)ccc2ccccc21 ZINC000320216743 374349533 /nfs/dbraw/zinc/34/95/33/374349533.db2.gz GEKFJKNGLQFYNY-HNNXBMFYSA-N 0 3 285.387 3.265 20 30 CGEDHN C=C(C)COCCNCc1cn(C)nc1C1CCCCC1 ZINC000183915026 374471999 /nfs/dbraw/zinc/47/19/99/374471999.db2.gz IETPMEBWNYEEGE-UHFFFAOYSA-N 0 3 291.439 3.150 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccccc1C#N ZINC000185196565 374609657 /nfs/dbraw/zinc/60/96/57/374609657.db2.gz SVRWVCNJTVSPLJ-IAGOWNOFSA-N 0 3 272.392 3.242 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000185221083 374612810 /nfs/dbraw/zinc/61/28/10/374612810.db2.gz RSGFIEZSOVFQOR-CVEARBPZSA-N 0 3 290.382 3.379 20 30 CGEDHN C[C@@H](NCc1cc(C#N)ccc1F)[C@H]1COc2ccccc21 ZINC000185571123 374689540 /nfs/dbraw/zinc/68/95/40/374689540.db2.gz UNEBJJUZTINPSG-MLGOLLRUSA-N 0 3 296.345 3.352 20 30 CGEDHN Cn1cccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334375592 374694645 /nfs/dbraw/zinc/69/46/45/374694645.db2.gz DOXKGAKIIOWGRO-KRWDZBQOSA-N 0 3 265.360 3.064 20 30 CGEDHN C[C@H](NCc1ccc(C#N)s1)[C@@H](c1ccccc1)N(C)C ZINC000185673352 374710254 /nfs/dbraw/zinc/71/02/54/374710254.db2.gz FBEUUWMIYGDMGU-GUYCJALGSA-N 0 3 299.443 3.401 20 30 CGEDHN COc1ccc(OC)c([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185759566 374731461 /nfs/dbraw/zinc/73/14/61/374731461.db2.gz XAQDMRGLSHJVHD-MELADBBJSA-N 0 3 288.391 3.437 20 30 CGEDHN C=C(C)[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccc(F)c(F)c1 ZINC000186452643 374853835 /nfs/dbraw/zinc/85/38/35/374853835.db2.gz NVTHUKAGYBNCPI-VCTAVGKDSA-N 0 3 267.319 3.349 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCOCC2(CCC2)C1 ZINC000334632275 374923818 /nfs/dbraw/zinc/92/38/18/374923818.db2.gz FMOGPSFWIFTXMK-CQSZACIVSA-N 0 3 270.376 3.122 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000186719277 374905392 /nfs/dbraw/zinc/90/53/92/374905392.db2.gz XQRSITWGOMWAMD-CMPLNLGQSA-N 0 3 289.297 3.173 20 30 CGEDHN C=CCN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469450078 374988489 /nfs/dbraw/zinc/98/84/89/374988489.db2.gz KERIKOIYPBJDQN-UHFFFAOYSA-N 0 3 251.320 3.405 20 30 CGEDHN COC1(CNCc2cc(C#N)cs2)CCCCC1 ZINC000187441734 375021913 /nfs/dbraw/zinc/02/19/13/375021913.db2.gz HFAZUJMRDGKGGY-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCSC(C)(C)C1 ZINC000187695608 375075300 /nfs/dbraw/zinc/07/53/00/375075300.db2.gz OPOMIESGMJOAER-LBPRGKRZSA-N 0 3 260.406 3.447 20 30 CGEDHN CC(C#N)C(=O)NCC1(Cc2ccccc2)CCCCC1 ZINC000474168449 375086487 /nfs/dbraw/zinc/08/64/87/375086487.db2.gz HMIKDHVZXPXHRI-HNNXBMFYSA-N 0 3 284.403 3.455 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474864672 375128778 /nfs/dbraw/zinc/12/87/78/375128778.db2.gz PFLXYEGGOPFPBE-GRYCIOLGSA-N 0 3 278.783 3.450 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)C1CC1)C(C)C ZINC000480939363 375161697 /nfs/dbraw/zinc/16/16/97/375161697.db2.gz IUXIZWWEZJPLKC-INIZCTEOSA-N 0 3 292.467 3.237 20 30 CGEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000481269802 375163707 /nfs/dbraw/zinc/16/37/07/375163707.db2.gz PIDYBCQUQWXXGB-MRXNPFEDSA-N 0 3 291.435 3.232 20 30 CGEDHN C=CCN(Cc1cc(C#N)n(C)c1)CC1CCCCC1 ZINC000483260226 375178035 /nfs/dbraw/zinc/17/80/35/375178035.db2.gz OQXIAAXRFHKGCQ-UHFFFAOYSA-N 0 3 271.408 3.465 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000335175863 375202188 /nfs/dbraw/zinc/20/21/88/375202188.db2.gz QCCPVRFXVUCGPC-CYBMUJFWSA-N 0 3 280.375 3.222 20 30 CGEDHN CCCCN(CCOC)Cc1ccc(C#N)c(C)c1 ZINC000487863448 375278665 /nfs/dbraw/zinc/27/86/65/375278665.db2.gz UZDXJXFZSZMYLV-UHFFFAOYSA-N 0 3 260.381 3.115 20 30 CGEDHN C[C@@H]1N(Cc2cccc(C#N)c2F)CCC12CCOCC2 ZINC000335467940 375313038 /nfs/dbraw/zinc/31/30/38/375313038.db2.gz AOIVPAGXWMDMQW-ZDUSSCGKSA-N 0 3 288.366 3.088 20 30 CGEDHN Cn1cc(CNCc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000189592435 375420590 /nfs/dbraw/zinc/42/05/90/375420590.db2.gz KQKZFNMJLIEMLU-UHFFFAOYSA-N 0 3 293.292 3.205 20 30 CGEDHN C[C@H]1CC[C@@](CO)(N(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000495247364 375499515 /nfs/dbraw/zinc/49/95/15/375499515.db2.gz NDPZFKWGBOLRFJ-WMLDXEAASA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC1CCCC1)C(C)C ZINC000496014403 375510981 /nfs/dbraw/zinc/51/09/81/375510981.db2.gz OMIVHUOQHGBKCL-KRWDZBQOSA-N 0 3 292.467 3.382 20 30 CGEDHN CCS[C@H]1CC[C@H](N(C)Cc2cc(C#N)n(C)c2)C1 ZINC000191433741 375628082 /nfs/dbraw/zinc/62/80/82/375628082.db2.gz XRIAQIJDYXEHIL-ZFWWWQNUSA-N 0 3 277.437 3.003 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000335999386 375606199 /nfs/dbraw/zinc/60/61/99/375606199.db2.gz XWCKPDDOOOZCIF-WDEREUQCSA-N 0 3 294.757 3.172 20 30 CGEDHN C=C(C)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192039411 375692228 /nfs/dbraw/zinc/69/22/28/375692228.db2.gz ZTUZGIQRANAUIY-KGLIPLIRSA-N 0 3 251.757 3.336 20 30 CGEDHN COc1ccccc1CCN(C)Cc1ccc(C#N)c(F)c1 ZINC000191996138 375688459 /nfs/dbraw/zinc/68/84/59/375688459.db2.gz GYWGLGFJRMMBFV-UHFFFAOYSA-N 0 3 298.361 3.380 20 30 CGEDHN Cc1ccc2nc(CN[C@@H]3CCC[C@@H](C#N)C3)[nH]c2c1 ZINC000336251898 375764725 /nfs/dbraw/zinc/76/47/25/375764725.db2.gz KSKDQTCENSJZEP-CHWSQXEVSA-N 0 3 268.364 3.043 20 30 CGEDHN C=C(C)CCN1CCN(c2nc3ccccc3s2)CC1 ZINC000508981096 375766261 /nfs/dbraw/zinc/76/62/61/375766261.db2.gz XWZSQCINBVHCME-UHFFFAOYSA-N 0 3 287.432 3.385 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-n2ccnn2)cc1 ZINC000193051213 375820457 /nfs/dbraw/zinc/82/04/57/375820457.db2.gz PSLBOCFKERDYMT-OFQRWUPVSA-N 0 3 295.390 3.000 20 30 CGEDHN C=CCOc1cccc(CN[C@]2(CCC)CCOC2)c1 ZINC000512884032 375799670 /nfs/dbraw/zinc/79/96/70/375799670.db2.gz BKICHEANUWVFPZ-QGZVFWFLSA-N 0 3 275.392 3.300 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H](O)Cc1ccccc1 ZINC000193290691 375854281 /nfs/dbraw/zinc/85/42/81/375854281.db2.gz KDFLRJALGLQRHS-INIZCTEOSA-N 0 3 287.428 3.340 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000525179030 375881395 /nfs/dbraw/zinc/88/13/95/375881395.db2.gz VLXZGEMLQCFVBP-ZDUSSCGKSA-N 0 3 288.366 3.303 20 30 CGEDHN CC(C)(CCC#N)CNCc1ncc(Cl)s1 ZINC000336679880 375902201 /nfs/dbraw/zinc/90/22/01/375902201.db2.gz QYAQNRCYNRXXSO-UHFFFAOYSA-N 0 3 257.790 3.216 20 30 CGEDHN N#CCCCN1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528734620 375908965 /nfs/dbraw/zinc/90/89/65/375908965.db2.gz LOQQZLDNCLNQJB-KRWDZBQOSA-N 0 3 270.376 3.150 20 30 CGEDHN N#CC(C(=O)CC1(c2ccccc2)CC1)c1ccccn1 ZINC000528920099 375914284 /nfs/dbraw/zinc/91/42/84/375914284.db2.gz MMYOBGMBBFTXTH-OAHLLOKOSA-N 0 3 276.339 3.380 20 30 CGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000531177851 375945029 /nfs/dbraw/zinc/94/50/29/375945029.db2.gz KWXDVFWMGSFBAG-UHFFFAOYSA-N 0 3 297.320 3.168 20 30 CGEDHN C=CCC[C@H](O)CN1CCc2cccc(F)c2[C@@H]1C ZINC000532378402 375950849 /nfs/dbraw/zinc/95/08/49/375950849.db2.gz VGKKSKSIWHUZCJ-JSGCOSHPSA-N 0 3 263.356 3.072 20 30 CGEDHN CC(C)COCCN(Cc1ccc(C#N)cc1)C(C)C ZINC000336827864 375986200 /nfs/dbraw/zinc/98/62/00/375986200.db2.gz LWQQZKKRLKYIGJ-UHFFFAOYSA-N 0 3 274.408 3.441 20 30 CGEDHN C=CCN(C(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000195328652 376097688 /nfs/dbraw/zinc/09/76/88/376097688.db2.gz WGVWOQFBGZVYFE-UHFFFAOYSA-N 0 3 284.403 3.080 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3cc[nH]c32)cc1 ZINC000218113657 376184167 /nfs/dbraw/zinc/18/41/67/376184167.db2.gz QGCWYJVQFIQIOW-UHFFFAOYSA-N 0 3 261.328 3.329 20 30 CGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000338371682 376354692 /nfs/dbraw/zinc/35/46/92/376354692.db2.gz IKSFEPPNZNYCHZ-CQSZACIVSA-N 0 3 291.354 3.160 20 30 CGEDHN C=C(CC)CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000540197897 376365655 /nfs/dbraw/zinc/36/56/55/376365655.db2.gz QLQGMUDOYWTNCR-AWEZNQCLSA-N 0 3 298.224 3.381 20 30 CGEDHN CCCCN1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC000540609144 376385832 /nfs/dbraw/zinc/38/58/32/376385832.db2.gz CYEABXPGRGUJIL-AWEZNQCLSA-N 0 3 291.464 3.364 20 30 CGEDHN OC[C@H](NCC#Cc1ccccc1Cl)C1CCCCC1 ZINC000541980723 376499828 /nfs/dbraw/zinc/49/98/28/376499828.db2.gz KROABGSFVYPUON-KRWDZBQOSA-N 0 3 291.822 3.222 20 30 CGEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000542577303 376559666 /nfs/dbraw/zinc/55/96/66/376559666.db2.gz BPBHKYVQBWQCPE-DZGCQCFKSA-N 0 3 277.795 3.096 20 30 CGEDHN COc1cc(CN2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000235003717 376628540 /nfs/dbraw/zinc/62/85/40/376628540.db2.gz BMLXNNXGEWXNCK-BETUJISGSA-N 0 3 258.365 3.045 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](O)CCc1ccccc1 ZINC000543479491 376648328 /nfs/dbraw/zinc/64/83/28/376648328.db2.gz DSOGZSDRMFAJHA-GOSISDBHSA-N 0 3 299.414 3.304 20 30 CGEDHN C=CCN(CC=C)[C@H](CNCc1ccc(C)o1)C(C)C ZINC000236696091 376684161 /nfs/dbraw/zinc/68/41/61/376684161.db2.gz KBQWBFBNKDHPQX-QGZVFWFLSA-N 0 3 276.424 3.376 20 30 CGEDHN N#Cc1csc(CNC2CC(OCc3ccccc3)C2)c1 ZINC000545210547 376796265 /nfs/dbraw/zinc/79/62/65/376796265.db2.gz CBGWCVJEAHWSCA-UHFFFAOYSA-N 0 3 298.411 3.457 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(C)c(Cl)c1 ZINC000556036685 376859791 /nfs/dbraw/zinc/85/97/91/376859791.db2.gz BPRDKLIDNOMYCR-UHFFFAOYSA-N 0 3 253.773 3.283 20 30 CGEDHN C=C(CC)CN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556529408 376863797 /nfs/dbraw/zinc/86/37/97/376863797.db2.gz FNSBEGQABDMXTO-UHFFFAOYSA-N 0 3 280.362 3.443 20 30 CGEDHN Cc1cc(CN2CCCO[C@H](C(C)C)C2)ccc1C#N ZINC000339835207 376868530 /nfs/dbraw/zinc/86/85/30/376868530.db2.gz UHBHVRJHOBXTLC-KRWDZBQOSA-N 0 3 272.392 3.114 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000245948533 376941186 /nfs/dbraw/zinc/94/11/86/376941186.db2.gz SDRMEXRJFYSTLJ-CHWSQXEVSA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H](C)C1 ZINC000246117626 376969153 /nfs/dbraw/zinc/96/91/53/376969153.db2.gz KDJISSJKLNAYLH-KGLIPLIRSA-N 0 3 282.391 3.074 20 30 CGEDHN CC(C)(CNCc1cc(C#N)cs1)C(F)(F)F ZINC000558680177 377031695 /nfs/dbraw/zinc/03/16/95/377031695.db2.gz CSDADPKCNGTSSN-UHFFFAOYSA-N 0 3 262.300 3.298 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cn1)C(C)(C)c1ccccc1 ZINC000558244158 376988172 /nfs/dbraw/zinc/98/81/72/376988172.db2.gz PXGLLPLYVSIXMN-CQSZACIVSA-N 0 3 279.387 3.409 20 30 CGEDHN C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]21 ZINC000248417239 377314119 /nfs/dbraw/zinc/31/41/19/377314119.db2.gz JJIBCJAJTUBFMH-KBRIMQKVSA-N 0 3 297.402 3.007 20 30 CGEDHN C#CCOc1ccc(CNCc2sccc2C)cc1 ZINC000264967334 190148640 /nfs/dbraw/zinc/14/86/40/190148640.db2.gz QAFLKMDIXQLALG-UHFFFAOYSA-N 0 3 271.385 3.358 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000564203550 377475502 /nfs/dbraw/zinc/47/55/02/377475502.db2.gz QUPJCXYFSHLEQS-IXDOHACOSA-N 0 3 282.387 3.064 20 30 CGEDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)C(C)C#N ZINC000341381155 377538762 /nfs/dbraw/zinc/53/87/62/377538762.db2.gz SEHVUZBTUZQHGV-GUTXKFCHSA-N 0 3 286.375 3.154 20 30 CGEDHN N#Cc1cccnc1NC[C@H]1CCCN1Cc1ccccc1 ZINC000265167390 190162886 /nfs/dbraw/zinc/16/28/86/190162886.db2.gz XRMCWGHEEKWOGS-QGZVFWFLSA-N 0 3 292.386 3.030 20 30 CGEDHN CN(C(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000572245794 377547710 /nfs/dbraw/zinc/54/77/10/377547710.db2.gz CBOSRMXDGXWDGW-CQSZACIVSA-N 0 3 258.365 3.016 20 30 CGEDHN C=CCCNCc1cc(OC)ccc1Br ZINC000168751118 542178416 /nfs/dbraw/zinc/17/84/16/542178416.db2.gz FZFLNGOFELDLHD-UHFFFAOYSA-N 0 3 270.170 3.123 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2ccoc2C2CC2)nc(C)n1 ZINC000342640755 377705394 /nfs/dbraw/zinc/70/53/94/377705394.db2.gz XSTBZHVLZGOYNP-CYBMUJFWSA-N 0 3 281.315 3.054 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](OCCCc3ccccc3)C2)C1 ZINC000575022534 377738872 /nfs/dbraw/zinc/73/88/72/377738872.db2.gz HERTZSWNLLDUCZ-GUDVDZBRSA-N 0 3 298.430 3.402 20 30 CGEDHN COCC[C@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000342702746 377745048 /nfs/dbraw/zinc/74/50/48/377745048.db2.gz PAFXSCAWCJQBEF-CQSZACIVSA-N 0 3 290.382 3.336 20 30 CGEDHN C=CCCN(C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000342728678 377760058 /nfs/dbraw/zinc/76/00/58/377760058.db2.gz IJHCKQVQYSGBHR-AWEZNQCLSA-N 0 3 292.448 3.092 20 30 CGEDHN Cc1cc(N2CCC(F)(C#N)CC2)c2ccccc2n1 ZINC000343228840 377934758 /nfs/dbraw/zinc/93/47/58/377934758.db2.gz YYZYSNHPAIMGIO-UHFFFAOYSA-N 0 3 269.323 3.375 20 30 CGEDHN CCCN(CCN1CCCC1)c1ccc(C#N)cc1F ZINC000343278187 377945521 /nfs/dbraw/zinc/94/55/21/377945521.db2.gz WOVWVZWJVPWNCK-UHFFFAOYSA-N 0 3 275.371 3.010 20 30 CGEDHN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C)C1 ZINC000343286187 377946706 /nfs/dbraw/zinc/94/67/06/377946706.db2.gz MIRXMFCRCBDKKR-LLVKDONJSA-N 0 3 297.324 3.107 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343498104 377996275 /nfs/dbraw/zinc/99/62/75/377996275.db2.gz ACXXWKRZJQWBOP-HOCLYGCPSA-N 0 3 278.440 3.254 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000343498102 377996944 /nfs/dbraw/zinc/99/69/44/377996944.db2.gz ACXXWKRZJQWBOP-GDBMZVCRSA-N 0 3 278.440 3.254 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2ccc(CC#N)cc2)CCS1 ZINC000343585282 378028861 /nfs/dbraw/zinc/02/88/61/378028861.db2.gz TTZXDVPQCPVCAF-INIZCTEOSA-N 0 3 274.433 3.326 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1sc(CC)nc1C ZINC000268577291 378076629 /nfs/dbraw/zinc/07/66/29/378076629.db2.gz SDVQTELOMUXGFA-STQMWFEESA-N 0 3 282.453 3.334 20 30 CGEDHN C=CCCCN(C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343742020 378080314 /nfs/dbraw/zinc/08/03/14/378080314.db2.gz OAPXGOOMFVSNJM-MRXNPFEDSA-N 0 3 290.382 3.219 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@H](O)C(C)(C)C ZINC000343892288 378126911 /nfs/dbraw/zinc/12/69/11/378126911.db2.gz ZDJMWSBDGDRSFA-CQSZACIVSA-N 0 3 254.418 3.045 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1Cl ZINC000579352830 378152637 /nfs/dbraw/zinc/15/26/37/378152637.db2.gz MTZSLJVQGOKAIV-YPMHNXCESA-N 0 3 281.783 3.172 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCOc3ccccc32)c(F)c1 ZINC000269410026 378217899 /nfs/dbraw/zinc/21/78/99/378217899.db2.gz JADAUOWXJYFEKZ-CQSZACIVSA-N 0 3 296.345 3.353 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@H]1CC=CCC1 ZINC000344026185 378155902 /nfs/dbraw/zinc/15/59/02/378155902.db2.gz BKSJRAQZIUFFFV-HOTGVXAUSA-N 0 3 278.440 3.088 20 30 CGEDHN N#Cc1ccc(CNCC2([C@@H](O)c3ccccc3)CC2)cc1 ZINC000269830738 378271660 /nfs/dbraw/zinc/27/16/60/378271660.db2.gz RUZNJSGFHYUFSZ-SFHVURJKSA-N 0 3 292.382 3.162 20 30 CGEDHN Cc1cc(CN[C@@H]2COc3c(C)cccc3C2)ccc1C#N ZINC000582032673 378280360 /nfs/dbraw/zinc/28/03/60/378280360.db2.gz UIYZTFGBJKUHJC-SFHVURJKSA-N 0 3 292.382 3.268 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C3CC3)c2)CC1 ZINC000580213183 378233304 /nfs/dbraw/zinc/23/33/04/378233304.db2.gz JAFKZPWJXSXKSF-UHFFFAOYSA-N 0 3 298.430 3.334 20 30 CGEDHN CCN(CCn1ccnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000270678596 378387511 /nfs/dbraw/zinc/38/75/11/378387511.db2.gz UCKVJCSDJRTSBV-AWEZNQCLSA-N 0 3 282.391 3.146 20 30 CGEDHN C#CCCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000270991247 378424092 /nfs/dbraw/zinc/42/40/92/378424092.db2.gz DWXZBZSVOPXTOD-AWEZNQCLSA-N 0 3 297.402 3.349 20 30 CGEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](CC)N(CC)CC ZINC000345978978 378428266 /nfs/dbraw/zinc/42/82/66/378428266.db2.gz BHLGEWQLGMXLPR-KRWDZBQOSA-N 0 3 288.435 3.322 20 30 CGEDHN C[C@@H](N[C@H](CO)CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271985172 378538251 /nfs/dbraw/zinc/53/82/51/378538251.db2.gz XZZRJIUBVYARPX-RISCZKNCSA-N 0 3 278.371 3.145 20 30 CGEDHN CC(C)[C@@H](O)C1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271987834 378539527 /nfs/dbraw/zinc/53/95/27/378539527.db2.gz YKVCTUIDURXAKQ-BLLLJJGKSA-N 0 3 290.382 3.145 20 30 CGEDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271978906 378535389 /nfs/dbraw/zinc/53/53/89/378535389.db2.gz WMWQGXMYJALFBX-GUYCJALGSA-N 0 3 298.361 3.124 20 30 CGEDHN CC(C)C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000271981493 378535843 /nfs/dbraw/zinc/53/58/43/378535843.db2.gz JXZRDJQDYUFSOA-JKSUJKDBSA-N 0 3 290.382 3.381 20 30 CGEDHN CC(C)[C@@H](NCCCC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000346828682 378692685 /nfs/dbraw/zinc/69/26/85/378692685.db2.gz JQZHITJSNDUUPU-CQSZACIVSA-N 0 3 273.336 3.124 20 30 CGEDHN C=CCOCCCN1CCSC[C@@H]1c1ccccc1 ZINC000348040561 378763578 /nfs/dbraw/zinc/76/35/78/378763578.db2.gz DQZGUWWACAJVPK-MRXNPFEDSA-N 0 3 277.433 3.369 20 30 CGEDHN C=C(C)CCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000274765679 378890780 /nfs/dbraw/zinc/89/07/80/378890780.db2.gz GBZWDANPQBEAFT-UGSOOPFHSA-N 0 3 265.422 3.383 20 30 CGEDHN COC1(CNCc2ccc(C#N)cc2F)CCCCC1 ZINC000274779674 378894174 /nfs/dbraw/zinc/89/41/74/378894174.db2.gz KHZVVTZQJXFZCU-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274864660 378909310 /nfs/dbraw/zinc/90/93/10/378909310.db2.gz DPPSSBOVZPOWBC-JTQLQIEISA-N 0 3 256.802 3.305 20 30 CGEDHN C=C(C)CCN[C@H](CO)c1cccc(Br)c1 ZINC000274863062 378909695 /nfs/dbraw/zinc/90/96/95/378909695.db2.gz UYUFYAGFSFZCOJ-CYBMUJFWSA-N 0 3 284.197 3.038 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000347088708 218117173 /nfs/dbraw/zinc/11/71/73/218117173.db2.gz ODYWADLISQAGBM-RDTXWAMCSA-N 0 3 293.370 3.168 20 30 CGEDHN CC[C@H](CO)N(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000347350941 218202137 /nfs/dbraw/zinc/20/21/37/218202137.db2.gz QTSOUKAWUQOFQF-LJQANCHMSA-N 0 3 294.398 3.331 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2ccccc2nc1C ZINC000639145937 379069410 /nfs/dbraw/zinc/06/94/10/379069410.db2.gz OGJPHUGYINUQJO-KSSFIOAISA-N 0 3 297.402 3.009 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000347451267 218239128 /nfs/dbraw/zinc/23/91/28/218239128.db2.gz QCXCJGUNSDFYNU-OKILXGFUSA-N 0 3 299.418 3.436 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1snnc1C ZINC000639265893 379212330 /nfs/dbraw/zinc/21/23/30/379212330.db2.gz MLLQXVJJZXFIQP-AWEZNQCLSA-N 0 3 273.405 3.124 20 30 CGEDHN CCN(Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1)C1CC1 ZINC000349434935 379282557 /nfs/dbraw/zinc/28/25/57/379282557.db2.gz VHOMXGLJSNJOFJ-AWEZNQCLSA-N 0 3 299.418 3.045 20 30 CGEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1Cl ZINC000349856783 379424523 /nfs/dbraw/zinc/42/45/23/379424523.db2.gz SKNWCVKYMMAYLN-JQWIXIFHSA-N 0 3 264.756 3.130 20 30 CGEDHN CCC[C@@H](NCc1ccc(C#N)o1)[C@H](O)c1ccccc1 ZINC000279671150 379485911 /nfs/dbraw/zinc/48/59/11/379485911.db2.gz NICPGMNJHMVSON-IAGOWNOFSA-N 0 3 284.359 3.143 20 30 CGEDHN C=CCN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000350263647 379533612 /nfs/dbraw/zinc/53/36/12/379533612.db2.gz JEERRLAFJREAKU-ALCCZGGFSA-N 0 3 258.321 3.258 20 30 CGEDHN C=C(C)COCCNC/C=C/c1ccc(F)cc1F ZINC000350093911 379503489 /nfs/dbraw/zinc/50/34/89/379503489.db2.gz GUDRXJCXGHFTNY-ONEGZZNKSA-N 0 3 267.319 3.160 20 30 CGEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000351866761 379748845 /nfs/dbraw/zinc/74/88/45/379748845.db2.gz XQESQMFSOGROMN-GOSISDBHSA-N 0 3 298.430 3.002 20 30 CGEDHN N#CCc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000352448276 379818935 /nfs/dbraw/zinc/81/89/35/379818935.db2.gz QVBZBLYCJFOTCI-QZTJIDSGSA-N 0 3 296.414 3.286 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(Oc2cccc(F)c2)cc1 ZINC000352453376 379822205 /nfs/dbraw/zinc/82/22/05/379822205.db2.gz NBGRIWJHVPATHS-OAHLLOKOSA-N 0 3 287.334 3.255 20 30 CGEDHN CN(CCCOCc1ccccc1)CC1(CC#N)CC1 ZINC000384287052 379874765 /nfs/dbraw/zinc/87/47/65/379874765.db2.gz SPIWZWAOFXIXEQ-UHFFFAOYSA-N 0 3 272.392 3.219 20 30 CGEDHN C[C@@H]1CSC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000352795750 379966045 /nfs/dbraw/zinc/96/60/45/379966045.db2.gz FENXBWBBKPYFRI-SKDRFNHKSA-N 0 3 298.358 3.001 20 30 CGEDHN C[C@@H](NCc1nc(C#N)cs1)[C@H](C)c1ccccc1 ZINC000352809741 379974055 /nfs/dbraw/zinc/97/40/55/379974055.db2.gz JCWPJWVZXCMOHP-NWDGAFQWSA-N 0 3 271.389 3.297 20 30 CGEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)C[C@H](CC)O1 ZINC000398521942 379931323 /nfs/dbraw/zinc/93/13/23/379931323.db2.gz MVPZGLHTTBZDGR-OKILXGFUSA-N 0 3 252.402 3.206 20 30 CGEDHN COc1cc(CN2CCC(CCC#N)CC2)ccc1C#N ZINC000399298230 379938497 /nfs/dbraw/zinc/93/84/97/379938497.db2.gz DSVBMSJLWNHLKC-UHFFFAOYSA-N 0 3 283.375 3.083 20 30 CGEDHN CC1(C)CCC(CNCc2nc(C#N)cs2)CC1 ZINC000352820441 379981295 /nfs/dbraw/zinc/98/12/95/379981295.db2.gz APONSBWEHQIIHP-UHFFFAOYSA-N 0 3 263.410 3.321 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000352837446 379993154 /nfs/dbraw/zinc/99/31/54/379993154.db2.gz AHRUTYJPPYXRKD-FRRDWIJNSA-N 0 3 275.421 3.463 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)COC(C)C)cc1 ZINC000352913394 380034609 /nfs/dbraw/zinc/03/46/09/380034609.db2.gz ICWYOMHCXHRXTG-CQSZACIVSA-N 0 3 263.381 3.155 20 30 CGEDHN N#CCC1(CNCc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000352873499 380014531 /nfs/dbraw/zinc/01/45/31/380014531.db2.gz SLOWPDIMAPWCME-UHFFFAOYSA-N 0 3 284.281 3.194 20 30 CGEDHN C=C(C)CN(CCc1cccnc1)Cc1cnn(C(C)C)c1 ZINC000352899410 380025760 /nfs/dbraw/zinc/02/57/60/380025760.db2.gz CVRGGHCFKFLBRB-UHFFFAOYSA-N 0 3 298.434 3.480 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2n[nH]cc2c1 ZINC000353095022 380112673 /nfs/dbraw/zinc/11/26/73/380112673.db2.gz WNRCFTODPYHUAO-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc2n[nH]cc2c1 ZINC000353112298 380120389 /nfs/dbraw/zinc/12/03/89/380120389.db2.gz QOYLUPDBIRUBHY-JTQLQIEISA-N 0 3 282.372 3.347 20 30 CGEDHN N#CC1(CCN[C@H](CO)c2cccc(F)c2)CCCCC1 ZINC000411503583 380149714 /nfs/dbraw/zinc/14/97/14/380149714.db2.gz KSFZYNQRPGMPSC-MRXNPFEDSA-N 0 3 290.382 3.313 20 30 CGEDHN C=CCN(CCCC(=O)NCCC)Cc1cccs1 ZINC000411138224 380129910 /nfs/dbraw/zinc/12/99/10/380129910.db2.gz PSEXCHWMZVFCOK-UHFFFAOYSA-N 0 3 280.437 3.043 20 30 CGEDHN CC(C)(CC#N)CN[C@H](c1cccnc1)C1CCC1 ZINC000414162193 380195184 /nfs/dbraw/zinc/19/51/84/380195184.db2.gz GRPPBKLUFMGFFK-HNNXBMFYSA-N 0 3 257.381 3.452 20 30 CGEDHN Cc1nc2c(s1)[C@H](NCC(C)(C)CC#N)CCC2 ZINC000414162185 380195501 /nfs/dbraw/zinc/19/55/01/380195501.db2.gz GRCQDDANERJRIP-LLVKDONJSA-N 0 3 263.410 3.358 20 30 CGEDHN CC(C)(CC#N)CN[C@@H]1CCCc2c(O)cccc21 ZINC000414167157 380197559 /nfs/dbraw/zinc/19/75/59/380197559.db2.gz OTJWYKNEXRWNAV-CQSZACIVSA-N 0 3 258.365 3.299 20 30 CGEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccc(C(=O)OC)cc1 ZINC000414173322 380198457 /nfs/dbraw/zinc/19/84/57/380198457.db2.gz WVOLNGJKPVQROM-OAHLLOKOSA-N 0 3 288.391 3.454 20 30 CGEDHN CC[C@H](C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354459367 380448290 /nfs/dbraw/zinc/44/82/90/380448290.db2.gz DQZXLVXSMFJCNO-SWLSCSKDSA-N 0 3 295.342 3.144 20 30 CGEDHN CC[C@H](C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354459367 380448295 /nfs/dbraw/zinc/44/82/95/380448295.db2.gz DQZXLVXSMFJCNO-SWLSCSKDSA-N 0 3 295.342 3.144 20 30 CGEDHN CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000417361504 380609028 /nfs/dbraw/zinc/60/90/28/380609028.db2.gz IXKJQXQTHDTFEH-MSOLQXFVSA-N 0 3 294.402 3.410 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)[C@H](C)C1CCC1 ZINC000357044724 381009619 /nfs/dbraw/zinc/00/96/19/381009619.db2.gz SLCJKJQLRFFUPI-GFCCVEGCSA-N 0 3 258.365 3.187 20 30 CGEDHN C=CCCCCCN(C)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358830483 381328772 /nfs/dbraw/zinc/32/87/72/381328772.db2.gz QOXMUTFXODUEAJ-MRXNPFEDSA-N 0 3 292.398 3.073 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000359142562 381337407 /nfs/dbraw/zinc/33/74/07/381337407.db2.gz MCQJCYVLJZDQGV-SNVBAGLBSA-N 0 3 294.757 3.377 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CCC1 ZINC000358497084 381311646 /nfs/dbraw/zinc/31/16/46/381311646.db2.gz NTKUKAZXZRNLII-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN(CC(=C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000358486054 381312285 /nfs/dbraw/zinc/31/22/85/381312285.db2.gz CHKFDBUIDSRGDS-HNNXBMFYSA-N 0 3 297.406 3.178 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](O)CCC(C)C ZINC000361317266 381692475 /nfs/dbraw/zinc/69/24/75/381692475.db2.gz YOEBLJOYGUJELS-OAHLLOKOSA-N 0 3 265.397 3.107 20 30 CGEDHN CC(C)[C@H]1CN(CCOc2ccccc2C#N)CCS1 ZINC000362384566 381965950 /nfs/dbraw/zinc/96/59/50/381965950.db2.gz HPHGKRWGSZMNEG-MRXNPFEDSA-N 0 3 290.432 3.010 20 30 CGEDHN COCC[C@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC000368654626 382379564 /nfs/dbraw/zinc/37/95/64/382379564.db2.gz ATMFBFGGUJSLCF-CQSZACIVSA-N 0 3 290.382 3.336 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCOC2)ccc1F ZINC000335379120 208321285 /nfs/dbraw/zinc/32/12/85/208321285.db2.gz JNLKLNGNNGDTEN-RHSMWYFYSA-N 0 3 288.366 3.088 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000347362382 533115182 /nfs/dbraw/zinc/11/51/82/533115182.db2.gz BSWFRLBTMAELES-STQMWFEESA-N 0 3 279.343 3.085 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(OCCC)cc1 ZINC000381770198 542598540 /nfs/dbraw/zinc/59/85/40/542598540.db2.gz AYDWKTNAENYSCH-CQSZACIVSA-N 0 3 263.381 3.329 20 30 CGEDHN CC[C@@H](NCC#CCOC)c1ccc(Cl)s1 ZINC000390620763 542611454 /nfs/dbraw/zinc/61/14/54/542611454.db2.gz IKGNXZCMNVQSTL-SNVBAGLBSA-N 0 3 257.786 3.092 20 30 CGEDHN C[C@H](c1ccccc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191184902 130198358 /nfs/dbraw/zinc/19/83/58/130198358.db2.gz KYWNYZHCZREDAF-CYBMUJFWSA-N 0 3 253.349 3.090 20 30 CGEDHN CCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000191240433 130208211 /nfs/dbraw/zinc/20/82/11/130208211.db2.gz ACXXCBLDSNPYIC-CQSZACIVSA-N 0 3 292.386 3.352 20 30 CGEDHN Cn1cc(CNCc2ccc(C(F)F)cc2)cc1C#N ZINC000191606002 130261563 /nfs/dbraw/zinc/26/15/63/130261563.db2.gz DFYOMEFBPNHACS-UHFFFAOYSA-N 0 3 275.302 3.124 20 30 CGEDHN CSCc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000191621086 130265285 /nfs/dbraw/zinc/26/52/85/130265285.db2.gz QUBXPIRPEWABPP-UHFFFAOYSA-N 0 3 285.416 3.050 20 30 CGEDHN CCCO[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000192015615 130351722 /nfs/dbraw/zinc/35/17/22/130351722.db2.gz MQLPIDZXPAGGSY-GOSISDBHSA-N 0 3 271.404 3.319 20 30 CGEDHN CC(C)(C)OC(=O)c1ccc(CNCCCC#N)cc1 ZINC000361260167 392270084 /nfs/dbraw/zinc/27/00/84/392270084.db2.gz FZYYWFIOANNNNM-UHFFFAOYSA-N 0 3 274.364 3.035 20 30 CGEDHN C=CC[C@H]1N(Cc2ccc(OC)nn2)CCCC1(C)C ZINC000282543409 392292408 /nfs/dbraw/zinc/29/24/08/392292408.db2.gz RPDBVYNQXPJULE-CQSZACIVSA-N 0 3 275.396 3.052 20 30 CGEDHN C=CCC[C@H](NCCCOC[C@H]1CCCO1)c1ccco1 ZINC000285614038 392327097 /nfs/dbraw/zinc/32/70/97/392327097.db2.gz KKCFETDPRUZNMK-CVEARBPZSA-N 0 3 293.407 3.462 20 30 CGEDHN N#Cc1ccc(CN(CCCO)Cc2ccccc2)cc1F ZINC000361835508 392339138 /nfs/dbraw/zinc/33/91/38/392339138.db2.gz AJZYYKXAXAMEKI-UHFFFAOYSA-N 0 3 298.361 3.082 20 30 CGEDHN C#CCN(CCc1scnc1C)Cc1ccccc1 ZINC000285864956 392341865 /nfs/dbraw/zinc/34/18/65/392341865.db2.gz XUZYCAYIXJTZGA-UHFFFAOYSA-N 0 3 270.401 3.129 20 30 CGEDHN C=CCC[C@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000286158960 392377130 /nfs/dbraw/zinc/37/71/30/392377130.db2.gz PGRFWLXSBVAESG-CJNGLKHVSA-N 0 3 283.375 3.128 20 30 CGEDHN C=CCCCCCN(CCOC)Cc1ccccn1 ZINC000287311123 392395975 /nfs/dbraw/zinc/39/59/75/392395975.db2.gz JLUNDQBYVWZBPY-UHFFFAOYSA-N 0 3 262.397 3.276 20 30 CGEDHN CCCN(Cc1ccc(C#N)s1)C[C@@H]1CCCCO1 ZINC000119567626 392396649 /nfs/dbraw/zinc/39/66/49/392396649.db2.gz QQSAWKJRIGDFRH-ZDUSSCGKSA-N 0 3 278.421 3.401 20 30 CGEDHN C#C[C@@H](N[C@@H](C)CC(=O)Nc1ccccc1CC)C(C)C ZINC000289650304 392428194 /nfs/dbraw/zinc/42/81/94/392428194.db2.gz XZANQXLSONYSOF-GOEBONIOSA-N 0 3 286.419 3.214 20 30 CGEDHN C=CCCCN(C)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000121081251 392407308 /nfs/dbraw/zinc/40/73/08/392407308.db2.gz AELVJGNFMQSFSE-INIZCTEOSA-N 0 3 290.407 3.310 20 30 CGEDHN C=CCN1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000301401989 392590395 /nfs/dbraw/zinc/59/03/95/392590395.db2.gz QVQRUQIAYOHHHM-UHFFFAOYSA-N 0 3 285.366 3.436 20 30 CGEDHN C=CCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000374172866 392671557 /nfs/dbraw/zinc/67/15/57/392671557.db2.gz AJJLPGRSOMUBJO-UHFFFAOYSA-N 0 3 298.430 3.076 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374412309 392678215 /nfs/dbraw/zinc/67/82/15/392678215.db2.gz RIKRKLZEYIKWBD-HZPDHXFCSA-N 0 3 289.806 3.050 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](n2cccn2)C1 ZINC000334656735 392743504 /nfs/dbraw/zinc/74/35/04/392743504.db2.gz YFOBCGCUTYGRFU-PBHICJAKSA-N 0 3 280.375 3.153 20 30 CGEDHN COc1ccc([C@H]2CCCCCN2C(=O)C(C)C#N)cc1 ZINC000334338882 392720640 /nfs/dbraw/zinc/72/06/40/392720640.db2.gz ZOZNZSZRZICHMR-XJKSGUPXSA-N 0 3 286.375 3.299 20 30 CGEDHN Cc1ccn(-c2ccccc2CN[C@H]2CCC[C@H](C#N)C2)n1 ZINC000193026794 392868583 /nfs/dbraw/zinc/86/85/83/392868583.db2.gz FCSURBPRRRCACV-RDJZCZTQSA-N 0 3 294.402 3.353 20 30 CGEDHN C=CCCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000338571978 392920923 /nfs/dbraw/zinc/92/09/23/392920923.db2.gz ZLUUTYZAFJBNTN-UHFFFAOYSA-N 0 3 274.191 3.364 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc2cccc(F)c2o1 ZINC000339119559 392949036 /nfs/dbraw/zinc/94/90/36/392949036.db2.gz LMQHGXSUKJRANG-LLVKDONJSA-N 0 3 263.312 3.425 20 30 CGEDHN CC[C@H]1CN(CCC2(C#N)CCCCC2)CCCO1 ZINC000411677416 392984805 /nfs/dbraw/zinc/98/48/05/392984805.db2.gz RUVPRPPUGYIUOI-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000411743114 392986984 /nfs/dbraw/zinc/98/69/84/392986984.db2.gz FPHXRJZSPWNIDA-YOEHRIQHSA-N 0 3 270.376 3.148 20 30 CGEDHN CC(C)CCN(CCC#N)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412166469 392996713 /nfs/dbraw/zinc/99/67/13/392996713.db2.gz FVCRBEMGNDCXAW-OWCLPIDISA-N 0 3 293.455 3.036 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000342820111 393008579 /nfs/dbraw/zinc/00/85/79/393008579.db2.gz FYCAMBXVSKSCGB-WMZOPIPTSA-N 0 3 287.403 3.395 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H]2C(C)C)cc1OC ZINC000342861090 393010648 /nfs/dbraw/zinc/01/06/48/393010648.db2.gz LJAQNZOJNBINTL-HNNXBMFYSA-N 0 3 275.392 3.490 20 30 CGEDHN COc1cccc(-c2ccc(CNC(=O)C(C)C#N)cc2)c1 ZINC000346314073 393081881 /nfs/dbraw/zinc/08/18/81/393081881.db2.gz XTIRULHFESOTAR-ZDUSSCGKSA-N 0 3 294.354 3.138 20 30 CGEDHN C=CCN(Cc1cccs1)CC1(O)CCCC1 ZINC000348965687 393136230 /nfs/dbraw/zinc/13/62/30/393136230.db2.gz NPSFNILFUIFMHY-UHFFFAOYSA-N 0 3 251.395 3.041 20 30 CGEDHN C=CCCCCNCc1nccn1Cc1ccccc1 ZINC000349632984 393151652 /nfs/dbraw/zinc/15/16/52/393151652.db2.gz RKHIMLZJOVAAQH-UHFFFAOYSA-N 0 3 269.392 3.377 20 30 CGEDHN CC(C)N(Cc1ccco1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268730713 393202821 /nfs/dbraw/zinc/20/28/21/393202821.db2.gz XKBHYUQDTXHXCV-KRWDZBQOSA-N 0 3 284.359 3.095 20 30 CGEDHN CCC(O)(CC)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000471800205 393307513 /nfs/dbraw/zinc/30/75/13/393307513.db2.gz QWZFXVNIHFGDJI-LBPRGKRZSA-N 0 3 278.371 3.289 20 30 CGEDHN N#CCCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324274 393347615 /nfs/dbraw/zinc/34/76/15/393347615.db2.gz BTYQKMFIMZWDKP-HNNXBMFYSA-N 0 3 273.336 3.256 20 30 CGEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000649231594 393379685 /nfs/dbraw/zinc/37/96/85/393379685.db2.gz ONEOBIDQNXFBEU-GOSISDBHSA-N 0 3 285.387 3.217 20 30 CGEDHN Cc1cc(CN2CCS[C@H](C)[C@H]2C)ccc1C#N ZINC000488413374 393502984 /nfs/dbraw/zinc/50/29/84/393502984.db2.gz ZIYWSIODTQKDRO-CHWSQXEVSA-N 0 3 260.406 3.193 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1cccnc1C#N)C(C)C ZINC000358855150 393528643 /nfs/dbraw/zinc/52/86/43/393528643.db2.gz QLTDTKCPOXIBRO-KRWDZBQOSA-N 0 3 284.407 3.064 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@H]1CC2CCC1CC2 ZINC000433058300 393678843 /nfs/dbraw/zinc/67/88/43/393678843.db2.gz AEKJHPXHHNDWRN-PPUFBPAQSA-N 0 3 258.340 3.366 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)c(C)c1)C(C)(C)C ZINC000444004254 393783205 /nfs/dbraw/zinc/78/32/05/393783205.db2.gz QFZGLYYAOWOSPW-OAHLLOKOSA-N 0 3 260.381 3.017 20 30 CGEDHN N#Cc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000449535408 393887540 /nfs/dbraw/zinc/88/75/40/393887540.db2.gz HQPUMIFZNLGLHI-WBVHZDCISA-N 0 3 270.351 3.318 20 30 CGEDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453422231 394242768 /nfs/dbraw/zinc/24/27/68/394242768.db2.gz XFFZDUYBHRFAIS-IUIKQTSFSA-N 0 3 276.355 3.306 20 30 CGEDHN C=CC[C@H](C)[C@H](C)N[C@H](CO)c1ccc(F)cc1F ZINC000668745924 543055347 /nfs/dbraw/zinc/05/53/47/543055347.db2.gz IFLOUVDOBIYCKN-ZIBATOQPSA-N 0 3 269.335 3.189 20 30 CGEDHN C=CCC[C@@H](CC)NCc1cn2cc(C)ccc2n1 ZINC000675818552 543367715 /nfs/dbraw/zinc/36/77/15/543367715.db2.gz UCKDRXRWVLMWTN-CQSZACIVSA-N 0 3 257.381 3.477 20 30 CGEDHN C=C(CC)CN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000678624707 543547486 /nfs/dbraw/zinc/54/74/86/543547486.db2.gz MFNVISDKGHOEPF-AWEZNQCLSA-N 0 3 287.325 3.469 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000678742748 543552429 /nfs/dbraw/zinc/55/24/29/543552429.db2.gz PYONYCLUISERQG-OLZOCXBDSA-N 0 3 291.391 3.165 20 30 CGEDHN CCCC[C@@H](NCC#CCOC)c1ccc(OC)cc1 ZINC000678763032 543553990 /nfs/dbraw/zinc/55/39/90/543553990.db2.gz BMKSAPSSIVYXAT-QGZVFWFLSA-N 0 3 275.392 3.166 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC1CC1)c1ccccc1 ZINC000678777293 543557823 /nfs/dbraw/zinc/55/78/23/543557823.db2.gz ROCMHRJDKQWYAP-SFHVURJKSA-N 0 3 298.430 3.318 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000072745014 165077042 /nfs/dbraw/zinc/07/70/42/165077042.db2.gz BIOMDMRZJYYVDD-SJORKVTESA-N 0 3 280.375 3.028 20 30 CGEDHN CC1(C)CCCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000087657822 165190429 /nfs/dbraw/zinc/19/04/29/165190429.db2.gz HZQDCPGHXWPDEY-UHFFFAOYSA-N 0 3 285.391 3.009 20 30 CGEDHN CC[C@H](C)CN(CC)Cc1cnc2ccc(C#N)cn12 ZINC000093844910 165338477 /nfs/dbraw/zinc/33/84/77/165338477.db2.gz BXSKUMCJAKEESI-ZDUSSCGKSA-N 0 3 270.380 3.074 20 30 CGEDHN N#Cc1cc(CN2C[C@H]3CCCC[C@@H]3C2)ccc1F ZINC000121694775 287202055 /nfs/dbraw/zinc/20/20/55/287202055.db2.gz NHZOJNOZHWMKNH-ZIAGYGMSSA-N 0 3 258.340 3.319 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(C#N)cc1 ZINC000020127562 171013194 /nfs/dbraw/zinc/01/31/94/171013194.db2.gz KVQVSAQWTPBMDM-OLZOCXBDSA-N 0 3 251.333 3.365 20 30 CGEDHN COc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000035256318 172086437 /nfs/dbraw/zinc/08/64/37/172086437.db2.gz RRZBGWAPGODYGB-CYBMUJFWSA-N 0 3 266.344 3.418 20 30 CGEDHN Cc1nsc(NC[C@@H](c2cccs2)N(C)C)c1C#N ZINC000285805217 196404467 /nfs/dbraw/zinc/40/44/67/196404467.db2.gz YIHIUKNQBJQUMG-NSHDSACASA-N 0 3 292.433 3.100 20 30 CGEDHN C[C@@H]1[C@H](C)SCCN1CCCOc1cccc(C#N)c1 ZINC000127298341 287285019 /nfs/dbraw/zinc/28/50/19/287285019.db2.gz ZOVHINVMHSBWAR-KGLIPLIRSA-N 0 3 290.432 3.153 20 30 CGEDHN Cn1cc(C(=O)C(C#N)c2ccccn2)c2ccccc21 ZINC000049456633 416472037 /nfs/dbraw/zinc/47/20/37/416472037.db2.gz VOGJQDJPMRLWKR-ZDUSSCGKSA-N 0 3 275.311 3.063 20 30 CGEDHN C=CCOCCN[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000679575750 543647906 /nfs/dbraw/zinc/64/79/06/543647906.db2.gz ALDSKHDSQQAUES-KRWDZBQOSA-N 0 3 287.403 3.181 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000679576575 543648052 /nfs/dbraw/zinc/64/80/52/543648052.db2.gz POCVQKCPDPPQGJ-LLVKDONJSA-N 0 3 299.798 3.210 20 30 CGEDHN C=CCOCCNCc1c(Cl)ccc2cccnc21 ZINC000679720925 543657592 /nfs/dbraw/zinc/65/75/92/543657592.db2.gz YVISPYNJKDIXBT-UHFFFAOYSA-N 0 3 276.767 3.180 20 30 CGEDHN C=CCC[C@@H](NCc1nn(C)c2ccccc12)C1CC1 ZINC000680636451 543721765 /nfs/dbraw/zinc/72/17/65/543721765.db2.gz LALRAQZDARDVPA-OAHLLOKOSA-N 0 3 269.392 3.408 20 30 CGEDHN COCC#CCN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000680401833 543708306 /nfs/dbraw/zinc/70/83/06/543708306.db2.gz HURFLNPXDPCELH-QWHCGFSZSA-N 0 3 299.336 3.437 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)s2)C[C@@H]1OC ZINC000131372635 287377621 /nfs/dbraw/zinc/37/76/21/287377621.db2.gz WXFSAEMBUGVXQJ-KGLIPLIRSA-N 0 3 278.421 3.303 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc3ncccc3c2)C1 ZINC000335283496 226227636 /nfs/dbraw/zinc/22/76/36/226227636.db2.gz KIABQRNCBFVSDD-DOMZBBRYSA-N 0 3 251.333 3.017 20 30 CGEDHN C=CCN1CC[C@H](N2CCc3ccccc3[C@@H]2C(C)C)C1=O ZINC000685002234 544050769 /nfs/dbraw/zinc/05/07/69/544050769.db2.gz CHSSOKWVSVPMDV-ROUUACIJSA-N 0 3 298.430 3.029 20 30 CGEDHN C=CCC1(NC(=O)N[C@@H](CC)CN2CCCC2)CCCC1 ZINC000664410566 418953774 /nfs/dbraw/zinc/95/37/74/418953774.db2.gz XGJGLHFRBRZSQK-HNNXBMFYSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000659329869 418976250 /nfs/dbraw/zinc/97/62/50/418976250.db2.gz SICCBBPXLLZLGW-DYVFJYSZSA-N 0 3 284.403 3.155 20 30 CGEDHN C=CCCn1cc(CN2CCCCC[C@@H]2CC)nn1 ZINC000653558828 419048651 /nfs/dbraw/zinc/04/86/51/419048651.db2.gz YYARTDCJAAMFOP-HNNXBMFYSA-N 0 3 262.401 3.009 20 30 CGEDHN C=CCCCCN[C@H](C)c1nnc2n1CCCCC2 ZINC000660264744 419116364 /nfs/dbraw/zinc/11/63/64/419116364.db2.gz FAUBAIDHNFYHJA-CYBMUJFWSA-N 0 3 262.401 3.011 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@@H]2CCC)nn1 ZINC000653620743 419061305 /nfs/dbraw/zinc/06/13/05/419061305.db2.gz VXIGKTHMCJMKFS-GOEBONIOSA-N 0 3 276.428 3.303 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)nn1 ZINC000653754958 419079954 /nfs/dbraw/zinc/07/99/54/419079954.db2.gz ASUDXCJUKJNWOF-KKUMJFAQSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@@](C)(N)CC)nn1 ZINC000656458120 419173516 /nfs/dbraw/zinc/17/35/16/419173516.db2.gz XYZOUFYBWISIBT-RDJZCZTQSA-N 0 3 284.407 3.222 20 30 CGEDHN C=C(CC)CN1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660716820 419186483 /nfs/dbraw/zinc/18/64/83/419186483.db2.gz ATSLCFUCEJLLMZ-UHFFFAOYSA-N 0 3 274.412 3.304 20 30 CGEDHN C=C(CNCc1cc(C(F)(F)F)nn1C)c1ccccc1 ZINC000657333861 419252689 /nfs/dbraw/zinc/25/26/89/419252689.db2.gz BVYPYUFEXZXZFW-UHFFFAOYSA-N 0 3 295.308 3.242 20 30 CGEDHN C=CC[C@@H]1CCCN([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000661378839 419255736 /nfs/dbraw/zinc/25/57/36/419255736.db2.gz MZRBJCZLFZNOGJ-UONOGXRCSA-N 0 3 298.390 3.481 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cn(C)nc2C(F)F)C1 ZINC000661384983 419256162 /nfs/dbraw/zinc/25/61/62/419256162.db2.gz MPPGFRDKVXHVCD-LLVKDONJSA-N 0 3 269.339 3.146 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2ccccn2)no1 ZINC000661115678 419231647 /nfs/dbraw/zinc/23/16/47/419231647.db2.gz DKWUFAJWGOMAKZ-KBPBESRZSA-N 0 3 298.390 3.356 20 30 CGEDHN C=CCC1(NCc2ncc(C(C)C)s2)CCOCC1 ZINC000657633162 419317075 /nfs/dbraw/zinc/31/70/75/419317075.db2.gz JFUYWYUCTURIRX-UHFFFAOYSA-N 0 3 280.437 3.481 20 30 CGEDHN COCCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356084863 228115050 /nfs/dbraw/zinc/11/50/50/228115050.db2.gz LUAKIDXDZGKNFP-UHFFFAOYSA-N 0 3 286.297 3.045 20 30 CGEDHN C=CCOCCCNCc1ccc(OC)c(OC)c1Cl ZINC000657658378 419320468 /nfs/dbraw/zinc/32/04/68/419320468.db2.gz VHFYCEODSRIWKF-UHFFFAOYSA-N 0 3 299.798 3.040 20 30 CGEDHN C=C[C@H](CO)NCc1ccc(OCc2ccc(C)cc2)cc1 ZINC000657791300 419353940 /nfs/dbraw/zinc/35/39/40/419353940.db2.gz CLUACOSOMWVUPS-GOSISDBHSA-N 0 3 297.398 3.211 20 30 CGEDHN C=C(CC)CN1CCN(CC(=C)CC)[C@H](C)[C@H]1C ZINC000662226450 419367032 /nfs/dbraw/zinc/36/70/32/419367032.db2.gz ZXPZUFCCMAMWLQ-HZPDHXFCSA-N 0 3 250.430 3.313 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000657817141 419367892 /nfs/dbraw/zinc/36/78/92/419367892.db2.gz MQIUQIRJGLLQHK-DNVCBOLYSA-N 0 3 297.398 3.463 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncnn1-c1ccccc1 ZINC000657994569 419486278 /nfs/dbraw/zinc/48/62/78/419486278.db2.gz VKQQORFHBFKMAO-DOTOQJQBSA-N 0 3 296.418 3.492 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nn(C)cc1Cl ZINC000658027774 419501386 /nfs/dbraw/zinc/50/13/86/419501386.db2.gz OQCIEAVEXCYREB-DGCLKSJQSA-N 0 3 267.804 3.298 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncccc1OC ZINC000658031441 419507777 /nfs/dbraw/zinc/50/77/77/419507777.db2.gz FQJUMQIXMPCTDA-ZIAGYGMSSA-N 0 3 260.381 3.315 20 30 CGEDHN C=CCC[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1ccco1 ZINC000658251994 419705286 /nfs/dbraw/zinc/70/52/86/419705286.db2.gz PRNXFWBOHDNLAO-CFVMTHIKSA-N 0 3 261.365 3.180 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1sccc1OC ZINC000658206068 419657237 /nfs/dbraw/zinc/65/72/37/419657237.db2.gz LNWWFQIYGAWHGU-NSHDSACASA-N 0 3 255.383 3.000 20 30 CGEDHN C=CC[C@H](C)N[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000116907776 260006923 /nfs/dbraw/zinc/00/69/23/260006923.db2.gz CVKRFBDNKNZNNE-HOCLYGCPSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CCCCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000521369666 260088195 /nfs/dbraw/zinc/08/81/95/260088195.db2.gz CQGZMKXRWKRVIS-HNNXBMFYSA-N 0 3 288.370 3.369 20 30 CGEDHN CC(C)[C@@H](C)N1Cc2cccc(N[C@@H](C)C#N)c2C1 ZINC000069165380 260260080 /nfs/dbraw/zinc/26/00/80/260260080.db2.gz VOZPHDKSBAHGPE-QWHCGFSZSA-N 0 3 257.381 3.371 20 30 CGEDHN C=C(CC)CNCc1cc(Cl)c(OC)c(OC)c1 ZINC000313508595 260299890 /nfs/dbraw/zinc/29/98/90/260299890.db2.gz WUWBSLSJUZWSRY-UHFFFAOYSA-N 0 3 269.772 3.413 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2cc(OC)ccc21 ZINC000090450941 260359602 /nfs/dbraw/zinc/35/96/02/260359602.db2.gz YZXYSKYXJIJJTK-QGZVFWFLSA-N 0 3 275.392 3.255 20 30 CGEDHN C=CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000249273278 261248085 /nfs/dbraw/zinc/24/80/85/261248085.db2.gz KROZBQBFJQLCCD-FGTMMUONSA-N 0 3 298.430 3.041 20 30 CGEDHN N#CCCCCN[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000171034615 261456083 /nfs/dbraw/zinc/45/60/83/261456083.db2.gz DGYCROWNWVDVLK-KRWDZBQOSA-N 0 3 299.418 3.024 20 30 CGEDHN COc1ccc(CN(C)CCCC(C)(C)C#N)c(OC)c1 ZINC000174809018 261584184 /nfs/dbraw/zinc/58/41/84/261584184.db2.gz KZNYDGHDMPJPMY-UHFFFAOYSA-N 0 3 290.407 3.466 20 30 CGEDHN CCOCc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185769591 262069647 /nfs/dbraw/zinc/06/96/47/262069647.db2.gz WACFOSNUVDVORG-RHSMWYFYSA-N 0 3 272.392 3.395 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(Cn3cccn3)c2)C1 ZINC000185792637 262071471 /nfs/dbraw/zinc/07/14/71/262071471.db2.gz CQKVPIRWOSZOIH-CRAIPNDOSA-N 0 3 294.402 3.103 20 30 CGEDHN C=CC[C@H](C)NCc1cc2c(cc1Br)OCO2 ZINC000116927475 262195975 /nfs/dbraw/zinc/19/59/75/262195975.db2.gz CPRYWIOIYYKKIV-VIFPVBQESA-N 0 3 298.180 3.232 20 30 CGEDHN CC(C)C(=O)Nc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192627451 262206614 /nfs/dbraw/zinc/20/66/14/262206614.db2.gz ZFOYMGRLLHACBO-WBVHZDCISA-N 0 3 299.418 3.453 20 30 CGEDHN CN(C)CCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000193111024 262216386 /nfs/dbraw/zinc/21/63/86/262216386.db2.gz YBCGUGHPHIHBEZ-HOCLYGCPSA-N 0 3 287.407 3.121 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(OCC3CCCC3)CC2)C1 ZINC000339013474 262582591 /nfs/dbraw/zinc/58/25/91/262582591.db2.gz HCRQGPJINJHGAJ-HOTGVXAUSA-N 0 3 276.424 3.350 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(C#N)cc1 ZINC000274217308 263022096 /nfs/dbraw/zinc/02/20/96/263022096.db2.gz OYPOHZKTRCNCGF-DUVNUKRYSA-N 0 3 253.349 3.291 20 30 CGEDHN CN(C)CCc1ccccc1NC(=O)C1(C#N)CCCCC1 ZINC000275682043 263033875 /nfs/dbraw/zinc/03/38/75/263033875.db2.gz QGXJQOHZPFVRFN-UHFFFAOYSA-N 0 3 299.418 3.203 20 30 CGEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@H](C#N)C1)CCO2 ZINC000278667696 263049556 /nfs/dbraw/zinc/04/95/56/263049556.db2.gz IZMNDFVSGKUQBW-ZENOOKHLSA-N 0 3 286.375 3.191 20 30 CGEDHN CN(Cc1ccc(OC(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278748616 263050305 /nfs/dbraw/zinc/05/03/05/263050305.db2.gz WVRYJHSKZMSOIQ-CHWSQXEVSA-N 0 3 280.318 3.412 20 30 CGEDHN N#CC1CCC(CNCc2cccc(F)c2F)CC1 ZINC000281845184 263072292 /nfs/dbraw/zinc/07/22/92/263072292.db2.gz YRWKFDLKBVUTGF-UHFFFAOYSA-N 0 3 264.319 3.384 20 30 CGEDHN FCCCCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000283854860 263084650 /nfs/dbraw/zinc/08/46/50/263084650.db2.gz CAKUXEGKIRRTAQ-NBVRZTHBSA-N 0 3 294.370 3.014 20 30 CGEDHN CC(C)(C#N)CCCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289709618 263111497 /nfs/dbraw/zinc/11/14/97/263111497.db2.gz CGHXACFGHNCGJJ-CYBMUJFWSA-N 0 3 280.803 3.113 20 30 CGEDHN Cc1ccoc1CN(C)CCCC1(C#N)CCOCC1 ZINC000292346213 263131276 /nfs/dbraw/zinc/13/12/76/263131276.db2.gz PLMXSHVMHWITEU-UHFFFAOYSA-N 0 3 276.380 3.120 20 30 CGEDHN COC[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(F)c(F)c1 ZINC000296433084 263191481 /nfs/dbraw/zinc/19/14/81/263191481.db2.gz LYWRGJIKVNFQML-RBOXIYTFSA-N 0 3 294.345 3.324 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1nc2ccccc2n1C ZINC000296648824 263194847 /nfs/dbraw/zinc/19/48/47/263194847.db2.gz YRRLEEYAKILYJC-IHRRRGAJSA-N 0 3 282.391 3.306 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000297716318 263208721 /nfs/dbraw/zinc/20/87/21/263208721.db2.gz BFKPFKJHEUONOT-DOTOQJQBSA-N 0 3 265.360 3.239 20 30 CGEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@@H](C)CCC#N ZINC000297921873 263212058 /nfs/dbraw/zinc/21/20/58/263212058.db2.gz QMJOWSYZLNGALA-ZDUSSCGKSA-N 0 3 276.380 3.218 20 30 CGEDHN CCN(Cc1ccc(OC)cc1OC)[C@@H]1CC[C@H](C#N)C1 ZINC000298027852 263214379 /nfs/dbraw/zinc/21/43/79/263214379.db2.gz FBUUGIGERABNBP-DZGCQCFKSA-N 0 3 288.391 3.218 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000299566016 263247255 /nfs/dbraw/zinc/24/72/55/263247255.db2.gz GZZOLKAYPLUPDA-CHWSQXEVSA-N 0 3 285.391 3.378 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000121064879 263290301 /nfs/dbraw/zinc/29/03/01/263290301.db2.gz JBDDNZJPFXBCAW-CQSZACIVSA-N 0 3 290.407 3.310 20 30 CGEDHN CCOc1ccc([C@H](C)NCCCC#N)cc1OC ZINC000341478237 263338581 /nfs/dbraw/zinc/33/85/81/263338581.db2.gz XEJFVTJUFHVJOQ-LBPRGKRZSA-N 0 3 262.353 3.048 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(Cl)ccc1OC ZINC000341869326 263360399 /nfs/dbraw/zinc/36/03/99/263360399.db2.gz BDUWGXGBDCTHGG-RYUDHWBXSA-N 0 3 283.799 3.184 20 30 CGEDHN C=CCN[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341877409 263361047 /nfs/dbraw/zinc/36/10/47/263361047.db2.gz PFFIRTUWHGKJMK-CYBMUJFWSA-N 0 3 281.359 3.171 20 30 CGEDHN C=CCCN(C)Cc1ccc(-c2ccccn2)nc1 ZINC000425437635 264320059 /nfs/dbraw/zinc/32/00/59/264320059.db2.gz BJHGHTIHZASSDR-UHFFFAOYSA-N 0 3 253.349 3.152 20 30 CGEDHN C=CCOc1cccc(CN(C)CCc2nccs2)c1 ZINC000180179109 264392469 /nfs/dbraw/zinc/39/24/69/264392469.db2.gz HWFNGEFMKTWZDZ-UHFFFAOYSA-N 0 3 288.416 3.382 20 30 CGEDHN C#CCCCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000090397997 264399773 /nfs/dbraw/zinc/39/97/73/264399773.db2.gz AVKFKNWCQZREEF-GFCCVEGCSA-N 0 3 262.422 3.476 20 30 CGEDHN C=CCCOCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000182169860 264495274 /nfs/dbraw/zinc/49/52/74/264495274.db2.gz FIYKGSDXPHCGIF-HNNXBMFYSA-N 0 3 279.355 3.222 20 30 CGEDHN CO[C@]1(C)C[C@H](N(C)CCC(C)(C)C#N)C1(C)C ZINC000345706045 265097621 /nfs/dbraw/zinc/09/76/21/265097621.db2.gz FUVFOQKNEGLJDF-SWLSCSKDSA-N 0 3 252.402 3.062 20 30 CGEDHN CC(C)c1ccc(OCCNCc2cc(C#N)n(C)c2)cc1 ZINC000190834321 270073943 /nfs/dbraw/zinc/07/39/43/270073943.db2.gz VGZSAEYMCFYYRQ-UHFFFAOYSA-N 0 3 297.402 3.189 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000356505829 266127313 /nfs/dbraw/zinc/12/73/13/266127313.db2.gz NOLYFRONBIDTOC-KRWDZBQOSA-N 0 3 297.402 3.203 20 30 CGEDHN Cc1ccccc1CN(Cc1cccnc1)C(=O)C(C)C#N ZINC000357814710 266371099 /nfs/dbraw/zinc/37/10/99/266371099.db2.gz XBHYIXKVYJLCFV-OAHLLOKOSA-N 0 3 293.370 3.079 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000357842561 266375858 /nfs/dbraw/zinc/37/58/58/266375858.db2.gz WHYZHKJBAZQADK-LBPRGKRZSA-N 0 3 298.317 3.394 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(C(=O)OC)c(C)n1C ZINC000361185208 266797254 /nfs/dbraw/zinc/79/72/54/266797254.db2.gz DUMKZCXLWARYAQ-UHFFFAOYSA-N 0 3 292.423 3.298 20 30 CGEDHN C[C@@H](NCC[C@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000527923110 270144592 /nfs/dbraw/zinc/14/45/92/270144592.db2.gz BVOBFDSTCYPKOA-CHWSQXEVSA-N 0 3 276.355 3.165 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)CC(F)(F)F ZINC000396879590 266932436 /nfs/dbraw/zinc/93/24/36/266932436.db2.gz BEFJAJXXCCNFTM-SECBINFHSA-N 0 3 274.261 3.375 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000362690233 267036191 /nfs/dbraw/zinc/03/61/91/267036191.db2.gz PJZQBUFYSTUVSL-NHYWBVRUSA-N 0 3 274.339 3.333 20 30 CGEDHN CCCCC[C@H]1CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000362943353 267064476 /nfs/dbraw/zinc/06/44/76/267064476.db2.gz XYVMDZKLOIVHDU-HOTGVXAUSA-N 0 3 293.455 3.039 20 30 CGEDHN CC(C)(C#N)CCCN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000368070369 267143545 /nfs/dbraw/zinc/14/35/45/267143545.db2.gz CPSPWWVMSSHDKS-ZIAGYGMSSA-N 0 3 264.413 3.206 20 30 CGEDHN COCC[C@H](Cc1cccc(F)c1)NCC1(C#N)CCC1 ZINC000418144373 267365681 /nfs/dbraw/zinc/36/56/81/267365681.db2.gz SZCDTFGXMCLXPF-MRXNPFEDSA-N 0 3 290.382 3.057 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@]3(CC=CCC3)C2)nc1 ZINC000519577608 268219775 /nfs/dbraw/zinc/21/97/75/268219775.db2.gz OFHBFDLYTFDDOP-KRWDZBQOSA-N 0 3 267.376 3.276 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000348173124 273484022 /nfs/dbraw/zinc/48/40/22/273484022.db2.gz UVDSOZDJVBNDOD-LSDHHAIUSA-N 0 3 298.430 3.251 20 30 CGEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341762396 274111074 /nfs/dbraw/zinc/11/10/74/274111074.db2.gz VBOIWPIVFANXLC-KRWDZBQOSA-N 0 3 293.370 3.129 20 30 CGEDHN C=Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418142622 275440605 /nfs/dbraw/zinc/44/06/05/275440605.db2.gz HNXFOURLRLINLN-KRWDZBQOSA-N 0 3 278.359 3.022 20 30 CGEDHN COC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000538508462 288575722 /nfs/dbraw/zinc/57/57/22/288575722.db2.gz NJASUOBAYSFRTR-ABAIWWIYSA-N 0 3 264.344 3.019 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)nc1 ZINC000554066328 289254167 /nfs/dbraw/zinc/25/41/67/289254167.db2.gz GKVNXIXOUMAPMB-IEBWSBKVSA-N 0 3 291.398 3.454 20 30 CGEDHN C[C@H](Nc1ccc(C#N)nc1)[C@H](c1ccccc1)N(C)C ZINC000290964393 290063242 /nfs/dbraw/zinc/06/32/42/290063242.db2.gz OUZGUNXUZPYEMP-SUMWQHHRSA-N 0 3 280.375 3.057 20 30 CGEDHN COCc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185766682 327844845 /nfs/dbraw/zinc/84/48/45/327844845.db2.gz OBMBMURPNFRAAX-HOTGVXAUSA-N 0 3 258.365 3.005 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000185881421 327849597 /nfs/dbraw/zinc/84/95/97/327849597.db2.gz GJMBEMSWAYYTFD-HOCLYGCPSA-N 0 3 280.375 3.044 20 30 CGEDHN C=CC[C@H](C)NCc1conc1Cc1ccccc1 ZINC000339264409 328004002 /nfs/dbraw/zinc/00/40/02/328004002.db2.gz NZUFBSGUODMRAT-ZDUSSCGKSA-N 0 3 256.349 3.320 20 30 CGEDHN C=C(C)[C@@H](NCCCC(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000565163381 328054099 /nfs/dbraw/zinc/05/40/99/328054099.db2.gz KYPRODYYGUMJGY-MRXNPFEDSA-N 0 3 296.361 3.040 20 30 CGEDHN C=CCN(Cc1c(C)cnn1C)CC1CCCCC1 ZINC000571126183 328086596 /nfs/dbraw/zinc/08/65/96/328086596.db2.gz TXTSJNKHVVAECT-UHFFFAOYSA-N 0 3 261.413 3.297 20 30 CGEDHN C=CCC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412587860 328112994 /nfs/dbraw/zinc/11/29/94/328112994.db2.gz WZABBGAVHYYOQL-UHFFFAOYSA-N 0 3 278.371 3.428 20 30 CGEDHN CN(Cc1cccs1)Cc1ccc(OCC#N)cc1 ZINC000264550967 328160164 /nfs/dbraw/zinc/16/01/64/328160164.db2.gz LGUNGDBHOXLAPI-UHFFFAOYSA-N 0 3 272.373 3.282 20 30 CGEDHN Cc1ccccc1CN1CCN(CCC(C)(C)C#N)CC1 ZINC000266046438 328167693 /nfs/dbraw/zinc/16/76/93/328167693.db2.gz WGLNAZIOFCFWMY-UHFFFAOYSA-N 0 3 285.435 3.053 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3c(n2)CCCC3)C1 ZINC000278511872 328225961 /nfs/dbraw/zinc/22/59/61/328225961.db2.gz ROCPLLLCMKGVAQ-UKRRQHHQSA-N 0 3 269.392 3.132 20 30 CGEDHN C=CCOc1cccc(CN2CCSC[C@H]2C)c1 ZINC000179662810 329210207 /nfs/dbraw/zinc/21/02/07/329210207.db2.gz JDRDFRWHEWICBY-CYBMUJFWSA-N 0 3 263.406 3.189 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)[C@]1(C)CCCO1 ZINC000340240037 328250230 /nfs/dbraw/zinc/25/02/30/328250230.db2.gz QQUKDYHTNMVVMJ-PBHICJAKSA-N 0 3 275.392 3.299 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@H](c2ccncc2)C1 ZINC000295930522 328288100 /nfs/dbraw/zinc/28/81/00/328288100.db2.gz KHGITCPJYIBWJP-OAHLLOKOSA-N 0 3 257.381 3.201 20 30 CGEDHN CC[C@H](CSC)N(C)Cc1cc(C#N)cs1 ZINC000564324161 322027460 /nfs/dbraw/zinc/02/74/60/322027460.db2.gz FWZDIFHKBSMUTH-LLVKDONJSA-N 0 3 254.424 3.193 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000565049401 322056957 /nfs/dbraw/zinc/05/69/57/322056957.db2.gz PMYYRINEOKRJMJ-KBPBESRZSA-N 0 3 287.363 3.381 20 30 CGEDHN CC(C)C1(C)CCN(Cc2ccc(C#N)cn2)CC1 ZINC000568643067 322217347 /nfs/dbraw/zinc/21/73/47/322217347.db2.gz AOFXYRJDUWKAOG-UHFFFAOYSA-N 0 3 257.381 3.211 20 30 CGEDHN C[C@H](CC1CCCCC1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000575206962 322478982 /nfs/dbraw/zinc/47/89/82/322478982.db2.gz YMIABBIOEHTJTL-DYVFJYSZSA-N 0 3 299.418 3.033 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000535010401 328376530 /nfs/dbraw/zinc/37/65/30/328376530.db2.gz MXUFSFWAOVCHSR-HNNXBMFYSA-N 0 3 280.456 3.454 20 30 CGEDHN C=CCOc1ccccc1CNC[C@H](OC)C(C)C ZINC000344743488 327050459 /nfs/dbraw/zinc/05/04/59/327050459.db2.gz SAHPIUSRLNSNNW-INIZCTEOSA-N 0 3 263.381 3.012 20 30 CGEDHN C=C(C)CCN1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000558723938 327117596 /nfs/dbraw/zinc/11/75/96/327117596.db2.gz MULWJXOGNZEGAQ-UHFFFAOYSA-N 0 3 299.340 3.189 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@]3(C2)CCc2ccccc2O3)C1 ZINC000559247786 327150035 /nfs/dbraw/zinc/15/00/35/327150035.db2.gz IMVYCKNUMKSHFP-HFTRVMKXSA-N 0 3 282.387 3.148 20 30 CGEDHN CC(C)O[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000572598961 327173034 /nfs/dbraw/zinc/17/30/34/327173034.db2.gz HJFLWTWMDMKXCQ-MRXNPFEDSA-N 0 3 286.419 3.487 20 30 CGEDHN C=CCCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255025989 327251017 /nfs/dbraw/zinc/25/10/17/327251017.db2.gz DPWAEXMMRWBZMJ-FLIBITNWSA-N 0 3 270.420 3.284 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000561334092 327386594 /nfs/dbraw/zinc/38/65/94/327386594.db2.gz WFMGOTBKPDMGEU-LBPRGKRZSA-N 0 3 258.365 3.188 20 30 CGEDHN N#CC1(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000562629461 327500389 /nfs/dbraw/zinc/50/03/89/327500389.db2.gz QGELXILYZGZESO-HZPDHXFCSA-N 0 3 254.377 3.291 20 30 CGEDHN CC#CCCNCc1cccc(OCc2ccccn2)c1 ZINC000360959671 328912709 /nfs/dbraw/zinc/91/27/09/328912709.db2.gz VLKOIASFVUKDJL-UHFFFAOYSA-N 0 3 280.371 3.164 20 30 CGEDHN C=C(C)CN(C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000181315870 329231028 /nfs/dbraw/zinc/23/10/28/329231028.db2.gz LTSZZGNKNQQJLX-UHFFFAOYSA-N 0 3 273.332 3.227 20 30 CGEDHN Cc1cc(CN2C[C@@H](C)S[C@@H](C)C2)ccc1C#N ZINC000582940413 329291584 /nfs/dbraw/zinc/29/15/84/329291584.db2.gz BMWCIFNXWUIFKT-BETUJISGSA-N 0 3 260.406 3.193 20 30 CGEDHN CC(C)(C#N)CCCN1CC(C)(C)OC(C)(C)C1 ZINC000189648949 329385026 /nfs/dbraw/zinc/38/50/26/329385026.db2.gz UZMAAPOIAZSHTC-UHFFFAOYSA-N 0 3 252.402 3.206 20 30 CGEDHN COCc1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC000399177181 329449037 /nfs/dbraw/zinc/44/90/37/329449037.db2.gz KFBSAUHWXCLGNZ-UHFFFAOYSA-N 0 3 280.371 3.189 20 30 CGEDHN N#CC1CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000123703271 329561692 /nfs/dbraw/zinc/56/16/92/329561692.db2.gz LXNPJIFJIUEDBY-UHFFFAOYSA-N 0 3 277.371 3.484 20 30 CGEDHN N#CCCCOc1cccc(CNCc2ccc(O)cc2)c1 ZINC000238144519 329695522 /nfs/dbraw/zinc/69/55/22/329695522.db2.gz GBZCDVCWIVVPLZ-UHFFFAOYSA-N 0 3 296.370 3.365 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(Cl)cc1OC ZINC000421831554 330090940 /nfs/dbraw/zinc/09/09/40/330090940.db2.gz FFEXWFKBDFMKEA-VXGBXAGGSA-N 0 3 283.799 3.184 20 30 CGEDHN C#CCSCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273443106 330093187 /nfs/dbraw/zinc/09/31/87/330093187.db2.gz DNDAOQWHPAMBLD-CYBMUJFWSA-N 0 3 263.406 3.026 20 30 CGEDHN C[C@@H]1CC(F)(F)CCN1CCCC1(C#N)CCOCC1 ZINC000528774203 330282839 /nfs/dbraw/zinc/28/28/39/330282839.db2.gz UFCGNJKYOUMAGG-CYBMUJFWSA-N 0 3 286.366 3.207 20 30 CGEDHN CCO[C@@]1(C)C[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000527783802 330283124 /nfs/dbraw/zinc/28/31/24/330283124.db2.gz VJILGMOSYXSLAS-SJORKVTESA-N 0 3 288.391 3.026 20 30 CGEDHN C=CCN1CCC(NCc2c(F)cc(C)cc2F)CC1 ZINC000424148742 330295248 /nfs/dbraw/zinc/29/52/48/330295248.db2.gz UZCNKGJZVMIPEU-UHFFFAOYSA-N 0 3 280.362 3.013 20 30 CGEDHN COc1cccc([C@H](CN[C@H]2CCC[C@@H](C#N)C2)OC)c1 ZINC000527923424 330296099 /nfs/dbraw/zinc/29/60/99/330296099.db2.gz DAPWLOAZDHAWCM-KMFMINBZSA-N 0 3 288.391 3.055 20 30 CGEDHN C=CCn1cc(CN[C@H](C)C[C@H](C)CC(C)C)nn1 ZINC000424296679 330336176 /nfs/dbraw/zinc/33/61/76/330336176.db2.gz PEXOJNRMHKALFR-ZIAGYGMSSA-N 0 3 264.417 3.015 20 30 CGEDHN CCc1nc2c(s1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000424317785 330339735 /nfs/dbraw/zinc/33/97/35/330339735.db2.gz CGYPWNMMVLEADT-QJPTWQEYSA-N 0 3 275.421 3.365 20 30 CGEDHN N#CC1CCN(CCCOc2cccc(Cl)c2)CC1 ZINC000057872981 330379187 /nfs/dbraw/zinc/37/91/87/330379187.db2.gz NTTWCKFZCZAUGE-UHFFFAOYSA-N 0 3 278.783 3.344 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCOc2ccc(C)cc21 ZINC000090451285 330392720 /nfs/dbraw/zinc/39/27/20/330392720.db2.gz GSIDABZNBUZFAQ-INIZCTEOSA-N 0 3 275.392 3.391 20 30 CGEDHN CN(C)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000442645080 330778065 /nfs/dbraw/zinc/77/80/65/330778065.db2.gz IEQAYBJIDFTIDX-XJKCOSOUSA-N 0 3 291.826 3.225 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)c(Cl)c1 ZINC000449546638 330935422 /nfs/dbraw/zinc/93/54/22/330935422.db2.gz CRHSTWZNGHAUMP-CABCVRRESA-N 0 3 265.784 3.472 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000449694759 330944016 /nfs/dbraw/zinc/94/40/16/330944016.db2.gz CLYHEGHSFSTZTG-OAHLLOKOSA-N 0 3 271.360 3.363 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451554483 331034152 /nfs/dbraw/zinc/03/41/52/331034152.db2.gz ZZCTUBSJIHNHPA-UKPHBRMFSA-N 0 3 299.374 3.466 20 30 CGEDHN CC(F)(F)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000452605088 331070045 /nfs/dbraw/zinc/07/00/45/331070045.db2.gz VPVABRLBWZJKAR-AWEZNQCLSA-N 0 3 294.345 3.311 20 30 CGEDHN C=C(C)CCN[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000453324515 331116949 /nfs/dbraw/zinc/11/69/49/331116949.db2.gz SYIWOGYYEZQSJZ-LBPRGKRZSA-N 0 3 276.380 3.270 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)cc1F ZINC000453342725 331119460 /nfs/dbraw/zinc/11/94/60/331119460.db2.gz IVCFAMFFVGRADK-KMUNFCNLSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2nc(C)sc21 ZINC000453360020 331122435 /nfs/dbraw/zinc/12/24/35/331122435.db2.gz PSYAGBWWAZARCC-BNOWGMLFSA-N 0 3 278.421 3.152 20 30 CGEDHN C=CC(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000456115567 331184422 /nfs/dbraw/zinc/18/44/22/331184422.db2.gz KVSQCMQICVOYJM-HNNXBMFYSA-N 0 3 270.376 3.087 20 30 CGEDHN CC(C#N)C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000456777393 331203064 /nfs/dbraw/zinc/20/30/64/331203064.db2.gz QZSHTZUXSSSYPG-FVQBIDKESA-N 0 3 270.376 3.236 20 30 CGEDHN CC(C)(C)C1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000457338795 331219479 /nfs/dbraw/zinc/21/94/79/331219479.db2.gz GAFNSFOMRJOBGQ-OAHLLOKOSA-N 0 3 284.403 3.263 20 30 CGEDHN CC#CCCCC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458265149 331246737 /nfs/dbraw/zinc/24/67/37/331246737.db2.gz NESULVPTJKHBLZ-UHFFFAOYSA-N 0 3 272.392 3.189 20 30 CGEDHN Cc1nn(-c2ccccc2)cc1CNCC(C)(C)CC#N ZINC000459705236 331295192 /nfs/dbraw/zinc/29/51/92/331295192.db2.gz XXXUHANMXXFCTO-UHFFFAOYSA-N 0 3 282.391 3.210 20 30 CGEDHN C=CCNC(=O)CN1CCCC[C@@H]1c1cccc(C)c1C ZINC000464781506 331367849 /nfs/dbraw/zinc/36/78/49/331367849.db2.gz SPNASCOOWAGUMV-QGZVFWFLSA-N 0 3 286.419 3.133 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000465094276 331378020 /nfs/dbraw/zinc/37/80/20/331378020.db2.gz MAXRKOZUVWRJGD-ZDUSSCGKSA-N 0 3 288.366 3.299 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000467937475 331425822 /nfs/dbraw/zinc/42/58/22/331425822.db2.gz ICJYHPFLBQKVJM-SFHVURJKSA-N 0 3 292.467 3.313 20 30 CGEDHN CO[C@@H]1CCCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000483710083 331882471 /nfs/dbraw/zinc/88/24/71/331882471.db2.gz HFPKANNFRBUHGA-JKSUJKDBSA-N 0 3 277.795 3.239 20 30 CGEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCC#Cc2ccccc2)C1 ZINC000484070656 331891942 /nfs/dbraw/zinc/89/19/42/331891942.db2.gz RZLMSYKNSONZTD-QFBILLFUSA-N 0 3 285.431 3.205 20 30 CGEDHN C=CCOc1ccc(CN2CCN(C)[C@@H](C(C)C)C2)cc1 ZINC000488556725 332017171 /nfs/dbraw/zinc/01/71/71/332017171.db2.gz JYTVUFGRXIJMGB-GOSISDBHSA-N 0 3 288.435 3.023 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccc(OC)cc1 ZINC000489477806 332055389 /nfs/dbraw/zinc/05/53/89/332055389.db2.gz MMFWAYJVSCIIJI-HNNXBMFYSA-N 0 3 288.391 3.064 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000489510935 332057581 /nfs/dbraw/zinc/05/75/81/332057581.db2.gz MSFQNILQLXAPRO-HNNXBMFYSA-N 0 3 294.345 3.334 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2ccc(C3CC3)c(C)c2)CC1 ZINC000491038385 332141323 /nfs/dbraw/zinc/14/13/23/332141323.db2.gz JHAXOIQFMSAKJL-UHFFFAOYSA-N 0 3 296.414 3.156 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(OCc2ccccn2)c1 ZINC000491699335 332293759 /nfs/dbraw/zinc/29/37/59/332293759.db2.gz NBWGLRKFGIWHQZ-HNNXBMFYSA-N 0 3 280.371 3.114 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000249892674 334341760 /nfs/dbraw/zinc/34/17/60/334341760.db2.gz RAAQAQXMKXKARO-WKILWMFISA-N 0 3 292.467 3.360 20 30 CGEDHN C[C@@H]1CSC[C@@H]1NCC#Cc1ccccc1Cl ZINC000512176050 332956263 /nfs/dbraw/zinc/95/62/63/332956263.db2.gz AVKJNAHJRFYCIM-RISCZKNCSA-N 0 3 265.809 3.033 20 30 CGEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc2n[nH]cc2c1 ZINC000513425588 333018641 /nfs/dbraw/zinc/01/86/41/333018641.db2.gz YMUSYLROKQPCQW-CYBMUJFWSA-N 0 3 293.345 3.404 20 30 CGEDHN N#CCC1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000517404141 333098807 /nfs/dbraw/zinc/09/88/07/333098807.db2.gz NMIZJTCSWAZUIS-UHFFFAOYSA-N 0 3 294.301 3.134 20 30 CGEDHN C[C@H]1COCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000192128285 333230410 /nfs/dbraw/zinc/23/04/10/333230410.db2.gz IXSOPIOHEDSCDV-SWLSCSKDSA-N 0 3 297.320 3.072 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000522984175 333303334 /nfs/dbraw/zinc/30/33/34/333303334.db2.gz HWYCZNJFRFFXPX-GFCCVEGCSA-N 0 3 290.794 3.428 20 30 CGEDHN C=C(C)COCCNCc1cc2cc(OC)ccc2o1 ZINC000126740270 333603989 /nfs/dbraw/zinc/60/39/89/333603989.db2.gz NCZKTBYNSLRKGG-UHFFFAOYSA-N 0 3 275.348 3.124 20 30 CGEDHN Cc1[nH]c2ccccc2c1CCNCc1ccc(C#N)o1 ZINC000174337478 335153062 /nfs/dbraw/zinc/15/30/62/335153062.db2.gz LEVPBOHRSLXNRO-UHFFFAOYSA-N 0 3 279.343 3.273 20 30 CGEDHN Cc1cccc([C@H](C)CNCc2ccc(C#N)o2)c1 ZINC000174425019 335154312 /nfs/dbraw/zinc/15/43/12/335154312.db2.gz ZVZTYMKHPBJVLY-CYBMUJFWSA-N 0 3 254.333 3.353 20 30 CGEDHN Cc1cccc(O[C@@H](C)CNCc2ccc(C#N)cc2)c1 ZINC000174571600 335159127 /nfs/dbraw/zinc/15/91/27/335159127.db2.gz XXKIYLZAUZSEIO-HNNXBMFYSA-N 0 3 280.371 3.424 20 30 CGEDHN CCOc1ccc(CN2CCC(CC#N)CC2)cc1OC ZINC000541921354 333801174 /nfs/dbraw/zinc/80/11/74/333801174.db2.gz FFZWRYQNQJJDTM-UHFFFAOYSA-N 0 3 288.391 3.220 20 30 CGEDHN Cc1ccc(O[C@H](C)CNCc2cccc(C#N)c2)cc1 ZINC000174593938 335159978 /nfs/dbraw/zinc/15/99/78/335159978.db2.gz XJWHWVQUCLRCSN-OAHLLOKOSA-N 0 3 280.371 3.424 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H](O)Cc1ccc(F)cc1 ZINC000576244303 335177301 /nfs/dbraw/zinc/17/73/01/335177301.db2.gz NPAUKEMCGJDVIG-LJQANCHMSA-N 0 3 299.389 3.417 20 30 CGEDHN Fc1ccc(C#CCN2CC[C@@H](CC3CC3)C2)cc1 ZINC000550029143 334211796 /nfs/dbraw/zinc/21/17/96/334211796.db2.gz NZZOCEBASDNFLC-INIZCTEOSA-N 0 3 257.352 3.299 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249032370 334325160 /nfs/dbraw/zinc/32/51/60/334325160.db2.gz SSOLIRRLSUVPKH-CHWSQXEVSA-N 0 3 281.346 3.081 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000566850171 334666640 /nfs/dbraw/zinc/66/66/40/334666640.db2.gz SJXDKTYAMUFIIG-JLSDUUJJSA-N 0 3 292.386 3.042 20 30 CGEDHN N#CCCCN[C@@H]1CCc2c1cccc2Br ZINC000273042347 334759978 /nfs/dbraw/zinc/75/99/78/334759978.db2.gz VJUVQSFUVMXSCW-CYBMUJFWSA-N 0 3 279.181 3.330 20 30 CGEDHN N#Cc1csc(CNCCOc2ccc(Cl)cc2)c1 ZINC000177681363 335378518 /nfs/dbraw/zinc/37/85/18/335378518.db2.gz GKSVQCOCHPFDJP-UHFFFAOYSA-N 0 3 292.791 3.442 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000177702200 335379949 /nfs/dbraw/zinc/37/99/49/335379949.db2.gz IVVZPMNNIJGZTN-HNNXBMFYSA-N 0 3 297.427 3.378 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)cs1)Oc1cccc(F)c1 ZINC000177706856 335380300 /nfs/dbraw/zinc/38/03/00/335380300.db2.gz ZHDXYCKDKCDVCK-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000181363430 335759175 /nfs/dbraw/zinc/75/91/75/335759175.db2.gz ZFCMXLHRYKHXFW-CQSZACIVSA-N 0 3 293.370 3.238 20 30 CGEDHN CSC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358574363 533784277 /nfs/dbraw/zinc/78/42/77/533784277.db2.gz RXAUJMULTJLGPO-VHSXEESVSA-N 0 3 252.358 3.099 20 30 CGEDHN C[C@@H]1Cc2ccccc2CN1CCOc1ccccc1C#N ZINC000357807099 534074238 /nfs/dbraw/zinc/07/42/38/534074238.db2.gz NUUKSCQNSIDCPF-OAHLLOKOSA-N 0 3 292.382 3.384 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCc1cscn1 ZINC000425536650 534081373 /nfs/dbraw/zinc/08/13/73/534081373.db2.gz PCFOACMLYREJRD-LBPRGKRZSA-N 0 3 271.389 3.250 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000336118567 534283875 /nfs/dbraw/zinc/28/38/75/534283875.db2.gz TVJKVPMLMUIVFK-SFYZADRCSA-N 0 3 271.147 3.330 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC(C)(C)C[C@H]1C ZINC000412050757 534297621 /nfs/dbraw/zinc/29/76/21/534297621.db2.gz ZJPDCKNOSAKDBW-CHWSQXEVSA-N 0 3 285.391 3.006 20 30 CGEDHN C=CC[C@H](C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000190184769 534328710 /nfs/dbraw/zinc/32/87/10/534328710.db2.gz SRHODFTZQZGBLH-ZVZYQTTQSA-N 0 3 298.430 3.088 20 30 CGEDHN C#CCOc1ccccc1CNC[C@H](C)c1nccs1 ZINC000184293679 518333601 /nfs/dbraw/zinc/33/36/01/518333601.db2.gz UUZMJCZSORKWGR-ZDUSSCGKSA-N 0 3 286.400 3.048 20 30 CGEDHN C=CCSCCN[C@@H](C)c1sccc1OC ZINC000186205004 519075185 /nfs/dbraw/zinc/07/51/85/519075185.db2.gz KUVDYWXTHIBFPT-JTQLQIEISA-N 0 3 257.424 3.327 20 30 CGEDHN C=CC[C@H](CO)NCc1cccc(Cl)c1Cl ZINC000184285595 519118855 /nfs/dbraw/zinc/11/88/55/519118855.db2.gz OKPXEZBMAUFTGZ-SNVBAGLBSA-N 0 3 260.164 3.020 20 30 CGEDHN CCCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)c([O-])c1 ZINC000236830269 520368437 /nfs/dbraw/zinc/36/84/37/520368437.db2.gz OCMWBORBUYNBME-UHFFFAOYSA-N 0 3 296.370 3.342 20 30 CGEDHN N#CCCCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352792555 534613688 /nfs/dbraw/zinc/61/36/88/534613688.db2.gz MHWKTCSOLCUYPG-ZDUSSCGKSA-N 0 3 287.190 3.310 20 30 CGEDHN COc1ccc(CN2CCC[C@H](CSC)C2)cc1C#N ZINC000292429401 524028773 /nfs/dbraw/zinc/02/87/73/524028773.db2.gz NLTGBNPFBDWVDI-AWEZNQCLSA-N 0 3 290.432 3.142 20 30 CGEDHN COc1ccc(CN[C@@H]2CCc3ccccc32)cc1C#N ZINC000087822550 524086867 /nfs/dbraw/zinc/08/68/67/524086867.db2.gz KDTGZPODINYNLE-QGZVFWFLSA-N 0 3 278.355 3.344 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCSC(C)(C)C1 ZINC000083415597 526042462 /nfs/dbraw/zinc/04/24/62/526042462.db2.gz ARPKZPKAFQLXEW-GFCCVEGCSA-N 0 3 260.406 3.447 20 30 CGEDHN C=CCN(CCC(=O)OC(C)(C)C)CCc1ccco1 ZINC000352700931 526273914 /nfs/dbraw/zinc/27/39/14/526273914.db2.gz CIDUEJNNQLCKBD-UHFFFAOYSA-N 0 3 279.380 3.042 20 30 CGEDHN C=CCN(CCOC(C)(C)C)CCc1ccco1 ZINC000352700051 526276915 /nfs/dbraw/zinc/27/69/15/526276915.db2.gz KVYVTFIPHDYYTK-UHFFFAOYSA-N 0 3 251.370 3.125 20 30 CGEDHN C=C(C)CN1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113338766 526602718 /nfs/dbraw/zinc/60/27/18/526602718.db2.gz COOAXMAZPMQDJX-UHFFFAOYSA-N 0 3 294.826 3.176 20 30 CGEDHN C=C(C)CNCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000352853109 526624869 /nfs/dbraw/zinc/62/48/69/526624869.db2.gz LENHTBGXRQCANV-UHFFFAOYSA-N 0 3 289.297 3.302 20 30 CGEDHN C=CCOCCCN(C)Cc1ccc(SC)c(OC)c1 ZINC000347975495 526748126 /nfs/dbraw/zinc/74/81/26/526748126.db2.gz WDZUXCUJLCLVTA-UHFFFAOYSA-N 0 3 295.448 3.442 20 30 CGEDHN C=CCOc1ccccc1CN(C[C@H](C)OC)C(C)C ZINC000353819731 526929375 /nfs/dbraw/zinc/92/93/75/526929375.db2.gz UOZQHSPULLGGFI-HNNXBMFYSA-N 0 3 277.408 3.497 20 30 CGEDHN C=CCSCCN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000353390566 527005706 /nfs/dbraw/zinc/00/57/06/527005706.db2.gz ZRMCHQGWUDBFKB-JTQLQIEISA-N 0 3 285.434 3.105 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296381087 527210453 /nfs/dbraw/zinc/21/04/53/527210453.db2.gz JEFRCXXGXIVTJP-HUUCEWRRSA-N 0 3 298.386 3.462 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000344461422 527296754 /nfs/dbraw/zinc/29/67/54/527296754.db2.gz MUROOBAFXQVRIX-KBPBESRZSA-N 0 3 285.395 3.058 20 30 CGEDHN C=CCCOCCN[C@H](COC)c1cccc(Cl)c1 ZINC000353272094 527367543 /nfs/dbraw/zinc/36/75/43/527367543.db2.gz ZZHASLQZXDIVNC-OAHLLOKOSA-N 0 3 283.799 3.210 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](CCC)c1ccc(Cl)cc1 ZINC000353572542 527444475 /nfs/dbraw/zinc/44/44/75/527444475.db2.gz SJVOFABEWCIGJZ-KBPBESRZSA-N 0 3 253.773 3.318 20 30 CGEDHN C=C[C@@H](CO)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000353581099 527444853 /nfs/dbraw/zinc/44/48/53/527444853.db2.gz YLDDTCLGFOPIJU-DOTOQJQBSA-N 0 3 259.393 3.324 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C)C1CCC(CC)CC1 ZINC000353457009 527606591 /nfs/dbraw/zinc/60/65/91/527606591.db2.gz XYZUHKMQOMJLAN-UHFFFAOYSA-N 0 3 278.440 3.088 20 30 CGEDHN CC1(C)C[C@@H](NCc2cccc(C#N)c2F)C(C)(C)O1 ZINC000358981440 529139679 /nfs/dbraw/zinc/13/96/79/529139679.db2.gz IPATYPNWXFISRJ-CYBMUJFWSA-N 0 3 276.355 3.133 20 30 CGEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Cl)[C@H]2CCO[C@@H]21 ZINC000451460822 535073134 /nfs/dbraw/zinc/07/31/34/535073134.db2.gz AESSJKKXOHGCAO-YUELXQCFSA-N 0 3 290.794 3.115 20 30 CGEDHN COc1ccc(C#N)cc1CN1[C@H](C)CCC1(C)C ZINC000452012605 536646451 /nfs/dbraw/zinc/64/64/51/536646451.db2.gz SALQCOJCNSYRQG-GFCCVEGCSA-N 0 3 258.365 3.330 20 30 CGEDHN CC(C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416336 572351795 /nfs/dbraw/zinc/35/17/95/572351795.db2.gz CMWZLABDUOXITM-SECBINFHSA-N 0 3 262.309 3.268 20 30 CGEDHN C#Cc1cccc(NC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000730897994 572383158 /nfs/dbraw/zinc/38/31/58/572383158.db2.gz UHFUTJQYGMWGIA-GJZGRUSLSA-N 0 3 299.418 3.052 20 30 CGEDHN C#CCSCCNCc1cc(C(F)(F)F)ccc1F ZINC000740013863 572428559 /nfs/dbraw/zinc/42/85/59/572428559.db2.gz AQBNHSXMZCXUOM-UHFFFAOYSA-N 0 3 291.313 3.301 20 30 CGEDHN CCCCCCCN1CCCC[C@@H]1C1OCCO1 ZINC000740876001 572465009 /nfs/dbraw/zinc/46/50/09/572465009.db2.gz LYKALGQCAJVXSI-CQSZACIVSA-N 0 3 255.402 3.184 20 30 CGEDHN C#CCN1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC000741255811 572490920 /nfs/dbraw/zinc/49/09/20/572490920.db2.gz LTBQUQKIACYYBX-CYBMUJFWSA-N 0 3 277.795 3.236 20 30 CGEDHN N#Cc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000726606881 572589071 /nfs/dbraw/zinc/58/90/71/572589071.db2.gz FVRNFNGHFBENEI-HYXAFXHYSA-N 0 3 293.326 3.269 20 30 CGEDHN C=CC[C@H](NCc1n[nH]c2ccccc12)c1ccncc1 ZINC000734509694 572661606 /nfs/dbraw/zinc/66/16/06/572661606.db2.gz PCNSPDJDVDTFID-HNNXBMFYSA-N 0 3 278.359 3.365 20 30 CGEDHN C=CC[C@H](NCc1[nH]nc2ccccc21)c1ccncc1 ZINC000734509694 572661610 /nfs/dbraw/zinc/66/16/10/572661610.db2.gz PCNSPDJDVDTFID-HNNXBMFYSA-N 0 3 278.359 3.365 20 30 CGEDHN CC(C)CN(Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000744129217 572711017 /nfs/dbraw/zinc/71/10/17/572711017.db2.gz HEBPQVLVTJMCHC-UHFFFAOYSA-N 0 3 294.402 3.500 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=CC2CCCCC2)nc(C)n1 ZINC000735592605 572731518 /nfs/dbraw/zinc/73/15/18/572731518.db2.gz BZBJEUUNGCGZJQ-CDNLZTBQSA-N 0 3 283.375 3.406 20 30 CGEDHN CC(=NOCC(C)C)c1cccc(OCCN(C)C)c1 ZINC000749636482 573026868 /nfs/dbraw/zinc/02/68/68/573026868.db2.gz LXWVBSYAWGWYMS-UHFFFAOYSA-N 0 3 278.396 3.024 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000947968385 613267720 /nfs/dbraw/zinc/26/77/20/613267720.db2.gz YQFDVLSNEJEHGI-YJBOKZPZSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC000969953943 613301742 /nfs/dbraw/zinc/30/17/42/613301742.db2.gz OHKGAUOIKTZKTG-JKSUJKDBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC000968735916 613306812 /nfs/dbraw/zinc/30/68/12/613306812.db2.gz VPHJQUAGRKHFGY-OAHLLOKOSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972967827 613337661 /nfs/dbraw/zinc/33/76/61/613337661.db2.gz KNRAUTHCYWZPNR-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974938854 613341960 /nfs/dbraw/zinc/34/19/60/613341960.db2.gz VMOISVWIMJZJOF-CABCVRRESA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977518164 613342203 /nfs/dbraw/zinc/34/22/03/613342203.db2.gz XWSAAOPHBDNZIQ-INIZCTEOSA-N 0 3 286.419 3.011 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000980565993 613612760 /nfs/dbraw/zinc/61/27/60/613612760.db2.gz GVDFKVDMGWOMHH-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC000980506904 613620429 /nfs/dbraw/zinc/62/04/29/613620429.db2.gz HZPYPQVIQFTGCI-CYBMUJFWSA-N 0 3 292.448 3.204 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000972791344 613621606 /nfs/dbraw/zinc/62/16/06/613621606.db2.gz LGRYPCXEUIOHGH-GOSISDBHSA-N 0 3 294.398 3.172 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC000972432660 613627118 /nfs/dbraw/zinc/62/71/18/613627118.db2.gz BYEUMAZEISIEFS-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC000980514014 613632276 /nfs/dbraw/zinc/63/22/76/613632276.db2.gz CDWRTTLAFPPJAC-WMZOPIPTSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000972483364 613633891 /nfs/dbraw/zinc/63/38/91/613633891.db2.gz SKSJHWOEBVWIFT-MPGHIAIKSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)csc2Cl)C1 ZINC000980274006 613635076 /nfs/dbraw/zinc/63/50/76/613635076.db2.gz FZHLCMCBZNAYAK-NSHDSACASA-N 0 3 298.839 3.042 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2C2CCC2)C1 ZINC000980287194 613638631 /nfs/dbraw/zinc/63/86/31/613638631.db2.gz WEXKGILXURREKH-INIZCTEOSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC000968832195 613684534 /nfs/dbraw/zinc/68/45/34/613684534.db2.gz UXCMRZFKVUVMCY-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000940974377 613741866 /nfs/dbraw/zinc/74/18/66/613741866.db2.gz AXSYBOJGFXWUNG-OAHLLOKOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2sc(C)cc2C)C[C@@H]1C ZINC000947352521 613763164 /nfs/dbraw/zinc/76/31/64/613763164.db2.gz MEGDEUGEEYKMFT-GXTWGEPZSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H](C)C1 ZINC000944633227 613789247 /nfs/dbraw/zinc/78/92/47/613789247.db2.gz DZJCAQRZOWZQGH-HIFRSBDPSA-N 0 3 298.386 3.059 20 30 CGEDHN C=CCCCN(CC)C(=O)c1cccc(CN(C)C)c1 ZINC000890813527 617870494 /nfs/dbraw/zinc/87/04/94/617870494.db2.gz KVMFGGNQVYDIHO-UHFFFAOYSA-N 0 3 274.408 3.177 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001022213310 618243261 /nfs/dbraw/zinc/24/32/61/618243261.db2.gz BSWVIVMYHDGIPC-OKILXGFUSA-N 0 3 298.858 3.336 20 30 CGEDHN C=CCC(C)(C)CNCc1c(Cl)c(C)nn1C ZINC000310542300 618799421 /nfs/dbraw/zinc/79/94/21/618799421.db2.gz CPGWGZWKECBPSA-UHFFFAOYSA-N 0 3 255.793 3.074 20 30 CGEDHN CC(C)c1nc(CCNCC#Cc2ccccc2)cs1 ZINC000892807082 618938145 /nfs/dbraw/zinc/93/81/45/618938145.db2.gz PSQLDALEDHYXEC-UHFFFAOYSA-N 0 3 284.428 3.450 20 30 CGEDHN C=C(Br)CN[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000162548136 619100571 /nfs/dbraw/zinc/10/05/71/619100571.db2.gz VRZQRPKHVYSBAG-NWDGAFQWSA-N 0 3 288.229 3.222 20 30 CGEDHN C=C(C)[C@H](N[C@@H](C)COCCOC)c1ccc(F)c(F)c1 ZINC000893667819 619275895 /nfs/dbraw/zinc/27/58/95/619275895.db2.gz HDMSGCKNNGUFJS-LRDDRELGSA-N 0 3 299.361 3.223 20 30 CGEDHN C[C@H](CC1CCC1)NCc1cc(C#N)cnc1Cl ZINC000877700258 619415257 /nfs/dbraw/zinc/41/52/57/619415257.db2.gz KOSWLWGWJAPXJU-SNVBAGLBSA-N 0 3 263.772 3.275 20 30 CGEDHN C=C(Br)CN[C@H]1CCc2ccc(OC)cc2C1 ZINC000121282915 620032079 /nfs/dbraw/zinc/03/20/79/620032079.db2.gz OMUUBLFASIXHGY-ZDUSSCGKSA-N 0 3 296.208 3.051 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@](C)(CC)OC)c([O-])c1 ZINC000840708295 620093538 /nfs/dbraw/zinc/09/35/38/620093538.db2.gz WDNNDPLDNLWAFM-YPOUMIDOSA-N 0 3 292.423 3.472 20 30 CGEDHN CC1(C)C[C@H](CNCc2cccc(F)c2C#N)C(C)(C)O1 ZINC000897226001 620165090 /nfs/dbraw/zinc/16/50/90/620165090.db2.gz YDGAKDFRHNTING-CYBMUJFWSA-N 0 3 290.382 3.381 20 30 CGEDHN C[C@@H](NN=Cc1ccc2c(c1)CCN2C)c1ccccc1 ZINC000752727419 620291888 /nfs/dbraw/zinc/29/18/88/620291888.db2.gz PGBPMQPUUOSDFM-CQSZACIVSA-N 0 3 279.387 3.364 20 30 CGEDHN C[C@@H](CCc1ccccc1)CNCc1nc(C#N)cs1 ZINC000897628584 620413634 /nfs/dbraw/zinc/41/36/34/620413634.db2.gz LDJKLKSSRINTGN-ZDUSSCGKSA-N 0 3 285.416 3.373 20 30 CGEDHN CCCC[C@H](C)[C@@H](C)NCc1nc(C#N)cs1 ZINC000897630327 620414398 /nfs/dbraw/zinc/41/43/98/620414398.db2.gz VPROERLOLRMKAI-WDEREUQCSA-N 0 3 251.399 3.319 20 30 CGEDHN N#Cc1csc(CNC[C@@H]2CCC=CCCC2)n1 ZINC000898032236 620470100 /nfs/dbraw/zinc/47/01/00/620470100.db2.gz MVQMETRKDMKSSF-GFCCVEGCSA-N 0 3 261.394 3.241 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2coc3ccccc23)CC1 ZINC000989792705 620524717 /nfs/dbraw/zinc/52/47/17/620524717.db2.gz AAYJLHSMMCLQNL-UHFFFAOYSA-N 0 3 298.386 3.157 20 30 CGEDHN N#CCCCOc1cccc(CNC/C=C\Cl)c1 ZINC000898436030 620587988 /nfs/dbraw/zinc/58/79/88/620587988.db2.gz PRJDOYDGDDYXED-DAXSKMNVSA-N 0 3 264.756 3.211 20 30 CGEDHN C=CC(C)(C)NCc1cc(C)c(Br)cn1 ZINC000898460509 620590074 /nfs/dbraw/zinc/59/00/74/620590074.db2.gz MWPFHYKIFAFGCK-UHFFFAOYSA-N 0 3 269.186 3.207 20 30 CGEDHN C=CC(C)(C)NCc1cnc([C@@H]2CCCO2)s1 ZINC000898458217 620589854 /nfs/dbraw/zinc/58/98/54/620589854.db2.gz ZLUVPUVEFUEMBU-NSHDSACASA-N 0 3 252.383 3.049 20 30 CGEDHN CC[C@@H](NCc1ccccc1CO)c1cccc(C#N)c1 ZINC000902761827 621429960 /nfs/dbraw/zinc/42/99/60/621429960.db2.gz ANAZJBBDPKDOTQ-GOSISDBHSA-N 0 3 280.371 3.291 20 30 CGEDHN C[C@H](COc1ccccc1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902778975 621436741 /nfs/dbraw/zinc/43/67/41/621436741.db2.gz LGJQBQNKIVMPRE-ZIAGYGMSSA-N 0 3 281.359 3.071 20 30 CGEDHN CC[C@H](N[C@H](C)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000902816833 621463362 /nfs/dbraw/zinc/46/33/62/621463362.db2.gz RUAJKMXZUQQUQT-WBMJQRKESA-N 0 3 268.364 3.094 20 30 CGEDHN C=CC[C@H](CO)N[C@H]1CCCc2ccc(OC)c(Cl)c21 ZINC000903154782 621600330 /nfs/dbraw/zinc/60/03/30/621600330.db2.gz WPTOBYMZQGOQAZ-OLZOCXBDSA-N 0 3 295.810 3.253 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1cnn(CC2CCC2)c1 ZINC000903186888 621627104 /nfs/dbraw/zinc/62/71/04/621627104.db2.gz WFSDIRCRIXXHID-CYBMUJFWSA-N 0 3 274.412 3.274 20 30 CGEDHN CCC[C@@H](C)[C@@H](CC)NCc1nc(C#N)cs1 ZINC000903262233 621647965 /nfs/dbraw/zinc/64/79/65/621647965.db2.gz BNCFCXHGEPSVGV-ZYHUDNBSSA-N 0 3 251.399 3.319 20 30 CGEDHN CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1nc(C#N)cs1 ZINC000903263344 621648434 /nfs/dbraw/zinc/64/84/34/621648434.db2.gz MJKQOORDGXAFRJ-DMDPSCGWSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](c2ncccn2)C2CC2)C1 ZINC000903321635 621676366 /nfs/dbraw/zinc/67/63/66/621676366.db2.gz BGWAEVJTOXMHAD-YUELXQCFSA-N 0 3 257.381 3.262 20 30 CGEDHN C#Cc1cccc(N(C)C(=O)c2cccc(CN(C)C)c2)c1 ZINC000073366954 625515951 /nfs/dbraw/zinc/51/59/51/625515951.db2.gz VDDFVSIFTPFMSR-UHFFFAOYSA-N 0 3 292.382 3.006 20 30 CGEDHN CC1/C(=C/c2ccc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905085014 622033891 /nfs/dbraw/zinc/03/38/91/622033891.db2.gz LCJGXMSSNBBIQQ-MDXIRLPMSA-N 0 3 287.388 3.478 20 30 CGEDHN CC1/C(=C\c2ccsc2C(F)(F)F)C(=O)c2ncnn21 ZINC000905086945 622033917 /nfs/dbraw/zinc/03/39/17/622033917.db2.gz UWBPLIHTJOPMGI-VWOAIRDFSA-N 0 3 299.277 3.199 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(SC)c1 ZINC000911904858 622567176 /nfs/dbraw/zinc/56/71/76/622567176.db2.gz VAKYGJJBWGNTHL-ZDUSSCGKSA-N 0 3 264.394 3.031 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000912116211 622602592 /nfs/dbraw/zinc/60/25/92/622602592.db2.gz SUMNMVJGUBHBAQ-CVEARBPZSA-N 0 3 274.408 3.184 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000912352186 622637435 /nfs/dbraw/zinc/63/74/35/622637435.db2.gz MDPMUCNRLICQSQ-GOEBONIOSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000912353568 622639815 /nfs/dbraw/zinc/63/98/15/622639815.db2.gz UOZIKBZFVWAABM-IAQYHMDHSA-N 0 3 296.361 3.168 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N(CC)c1cccc(C)c1C ZINC000912497606 622669684 /nfs/dbraw/zinc/66/96/84/622669684.db2.gz DRLJIKLORNDYFP-OAHLLOKOSA-N 0 3 274.408 3.340 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1CCC(C)C ZINC000876705618 622824695 /nfs/dbraw/zinc/82/46/95/622824695.db2.gz RRRSYNZPENFOPS-ZIAGYGMSSA-N 0 3 286.847 3.274 20 30 CGEDHN C[C@@H](NCc1ccc(O)c(F)c1)c1ccc(C#N)cc1 ZINC000224662923 622881857 /nfs/dbraw/zinc/88/18/57/622881857.db2.gz GCZMNLSZQPNSLY-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN C[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)c1ccc(C#N)cc1 ZINC000224662923 622881860 /nfs/dbraw/zinc/88/18/60/622881860.db2.gz GCZMNLSZQPNSLY-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)cc3C)CCC[C@@H]12 ZINC000992486518 623595823 /nfs/dbraw/zinc/59/58/23/623595823.db2.gz HEMBXLQWQCEKJL-IEBWSBKVSA-N 0 3 298.430 3.216 20 30 CGEDHN COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000925406977 623705237 /nfs/dbraw/zinc/70/52/37/623705237.db2.gz IYTMFHCTOWAIJQ-UKRRQHHQSA-N 0 3 260.381 3.292 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993036726 623800351 /nfs/dbraw/zinc/80/03/51/623800351.db2.gz LTYRHVVYXZASRE-NEPJUHHUSA-N 0 3 296.798 3.092 20 30 CGEDHN CC(C)OCCON=C/C=C\c1ccc(N(C)C)cc1 ZINC000834981671 623843555 /nfs/dbraw/zinc/84/35/55/623843555.db2.gz VZDSBLCUWUCGGR-CFSTZTKKSA-N 0 3 276.380 3.193 20 30 CGEDHN C=CCN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993143432 623867875 /nfs/dbraw/zinc/86/78/75/623867875.db2.gz SGGVHEOWKNSADQ-GOEBONIOSA-N 0 3 276.424 3.032 20 30 CGEDHN N#CC(C(=O)CC1CC1)c1ccc2ccccc2n1 ZINC000916848129 624216399 /nfs/dbraw/zinc/21/63/99/624216399.db2.gz BWNAZDINCHJLOA-CYBMUJFWSA-N 0 3 250.301 3.211 20 30 CGEDHN C#CCN1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000917138197 624247960 /nfs/dbraw/zinc/24/79/60/624247960.db2.gz DRUBPFXBPNJIDT-GOSISDBHSA-N 0 3 299.414 3.069 20 30 CGEDHN CCCCCCCCCN(C)[C@H](C)C(=O)N(C)C ZINC000918778193 624374624 /nfs/dbraw/zinc/37/46/24/624374624.db2.gz FOQHOMLVXOMWCW-CQSZACIVSA-N 0 3 256.434 3.146 20 30 CGEDHN CCCCCCCCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000919655690 624415353 /nfs/dbraw/zinc/41/53/53/624415353.db2.gz WKKXTBCAIFVTLH-OAHLLOKOSA-N 0 3 283.460 3.130 20 30 CGEDHN CC(C)C[N@H+](CCC#N)Cc1c([O-])ccc2ccncc21 ZINC000919944229 624434432 /nfs/dbraw/zinc/43/44/32/624434432.db2.gz AFRNLIXNSNNALG-UHFFFAOYSA-N 0 3 283.375 3.312 20 30 CGEDHN CC(C)C[N@@H+](CCC#N)Cc1c([O-])ccc2ccncc21 ZINC000919944229 624434435 /nfs/dbraw/zinc/43/44/35/624434435.db2.gz AFRNLIXNSNNALG-UHFFFAOYSA-N 0 3 283.375 3.312 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCCCO2)c([O-])c1 ZINC000920387284 624489345 /nfs/dbraw/zinc/48/93/45/624489345.db2.gz OLYWMZJOHAKEJC-YAJBTMAUSA-N 0 3 290.407 3.226 20 30 CGEDHN C[C@@H](CNCc1csc(C#N)c1)Oc1ccccc1 ZINC000921741118 625859812 /nfs/dbraw/zinc/85/98/12/625859812.db2.gz DJVRAITVEYLASR-LBPRGKRZSA-N 0 3 272.373 3.177 20 30 CGEDHN C[C@H](CNCc1csc(C#N)c1)Oc1cccc(F)c1 ZINC000921790992 625876174 /nfs/dbraw/zinc/87/61/74/625876174.db2.gz IHPBOOYYPRPMNC-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN Cc1cnc(Cl)c(CN[C@@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000922320670 625997341 /nfs/dbraw/zinc/99/73/41/625997341.db2.gz NKIQBURJFXOALG-MRXNPFEDSA-N 0 3 297.789 3.172 20 30 CGEDHN C#CCC1(NCc2nn(CC)c3ccccc23)CCC1 ZINC000922997822 626117371 /nfs/dbraw/zinc/11/73/71/626117371.db2.gz MUCZDCWIXOHHQE-UHFFFAOYSA-N 0 3 267.376 3.092 20 30 CGEDHN CCCCCCC[C@H](C)N[C@@H](C)c1ncnn1C ZINC000789594934 626364156 /nfs/dbraw/zinc/36/41/56/626364156.db2.gz QDAHKSWAXPCMHT-STQMWFEESA-N 0 3 252.406 3.215 20 30 CGEDHN C[C@@H]1CN(C)CC1N=Nc1cccc(C(F)(F)F)c1 ZINC000752158123 626420314 /nfs/dbraw/zinc/42/03/14/626420314.db2.gz VHWLUMRMERVUPS-SECBINFHSA-N 0 3 271.286 3.055 20 30 CGEDHN C[C@@H]1CN(C)CC1N=Nc1cccc2ccccc21 ZINC000752164958 626420857 /nfs/dbraw/zinc/42/08/57/626420857.db2.gz NPGXQNGGDCXGNO-GFCCVEGCSA-N 0 3 253.349 3.189 20 30 CGEDHN C#CCOCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000753769663 626465353 /nfs/dbraw/zinc/46/53/53/626465353.db2.gz PECFRBIGRGMKHC-SFHVURJKSA-N 0 3 283.346 3.155 20 30 CGEDHN COC[C@H](NCc1cc(Cl)ccc1OCC#N)C(C)C ZINC000754382134 626570323 /nfs/dbraw/zinc/57/03/23/626570323.db2.gz DQQMESPBBOQCMX-AWEZNQCLSA-N 0 3 296.798 3.003 20 30 CGEDHN C#CCCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756755671 626729228 /nfs/dbraw/zinc/72/92/28/626729228.db2.gz CJWZVJSRFZKHIO-DGCLKSJQSA-N 0 3 261.340 3.473 20 30 CGEDHN C=C(C)COCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756761963 626730259 /nfs/dbraw/zinc/73/02/59/626730259.db2.gz VMNDLTMWDYMJKU-YPMHNXCESA-N 0 3 279.355 3.262 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)cs2)CC1 ZINC000760278119 626953678 /nfs/dbraw/zinc/95/36/78/626953678.db2.gz AJVTWPVPXWPLGK-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C#CCCNC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000760291203 626955957 /nfs/dbraw/zinc/95/59/57/626955957.db2.gz WDMPIMJMBFLHQW-UHFFFAOYSA-N 0 3 295.382 3.406 20 30 CGEDHN COCC#CCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767878272 627441008 /nfs/dbraw/zinc/44/10/08/627441008.db2.gz YFBKNQYFGNJIOO-CQSZACIVSA-N 0 3 297.320 3.145 20 30 CGEDHN C=CC1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000769401806 627548807 /nfs/dbraw/zinc/54/88/07/627548807.db2.gz PVMYTAHSRFTIDJ-UHFFFAOYSA-N 0 3 261.365 3.189 20 30 CGEDHN C#CCOc1ccc(CN2CCSC(C)(C)C2)cc1 ZINC000769447732 627553917 /nfs/dbraw/zinc/55/39/17/627553917.db2.gz KDVDOFFXNFLGRB-UHFFFAOYSA-N 0 3 275.417 3.026 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cc(Cl)nc2ccccc12 ZINC000769961015 627593181 /nfs/dbraw/zinc/59/31/81/627593181.db2.gz LASWMZNXUQZVBZ-NSHDSACASA-N 0 3 258.752 3.342 20 30 CGEDHN C[C@@H](CC#N)NN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000771882834 627739975 /nfs/dbraw/zinc/73/99/75/627739975.db2.gz BERWAPATLSXQIA-GZGGGGAOSA-N 0 3 282.391 3.175 20 30 CGEDHN CCOCCON=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000774430208 627988318 /nfs/dbraw/zinc/98/83/18/627988318.db2.gz AQBVMZCPTHCECZ-GJWZEZQRSA-N 0 3 288.391 3.337 20 30 CGEDHN CCOCCON=Cc1ccc(N2CCCCC2)cc1 ZINC000774430469 627988455 /nfs/dbraw/zinc/98/84/55/627988455.db2.gz GHOAWIBLDLVJLY-UHFFFAOYSA-N 0 3 276.380 3.064 20 30 CGEDHN C#CC[C@H](NC[C@@H](O)c1ccccc1F)c1ccccc1 ZINC000775398802 628090663 /nfs/dbraw/zinc/09/06/63/628090663.db2.gz LYZBKZJLVFCVJM-ZWKOTPCHSA-N 0 3 283.346 3.213 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cc(C)ccc1C)[C@@H]1CCCO1 ZINC000775574471 628110014 /nfs/dbraw/zinc/11/00/14/628110014.db2.gz PNBJPFPMCIQLIS-PVAVHDDUSA-N 0 3 257.377 3.135 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(C#N)c(F)c1 ZINC000776728529 628227881 /nfs/dbraw/zinc/22/78/81/628227881.db2.gz IBYMYXDGHYSMKC-GFCCVEGCSA-N 0 3 279.318 3.420 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@H](C)SC ZINC000778171727 628331082 /nfs/dbraw/zinc/33/10/82/628331082.db2.gz NZHYKJHYHCOTSU-NSHDSACASA-N 0 3 283.824 3.193 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCC=CO2)c([O-])c1 ZINC000780149872 628457399 /nfs/dbraw/zinc/45/73/99/628457399.db2.gz OYTYIXAOPKNDDE-UWCCDQBKSA-N 0 3 288.391 3.350 20 30 CGEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1 ZINC000780510852 628494511 /nfs/dbraw/zinc/49/45/11/628494511.db2.gz XVVYKPDFDDXRFS-UHFFFAOYSA-N 0 3 294.383 3.300 20 30 CGEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000805747248 628723389 /nfs/dbraw/zinc/72/33/89/628723389.db2.gz AKJHTPZRASBTKS-GOSISDBHSA-N 0 3 293.370 3.321 20 30 CGEDHN C#C[C@@H](NCCc1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000785816708 628889378 /nfs/dbraw/zinc/88/93/78/628889378.db2.gz WJPIVGPVHCQQTN-HUUCEWRRSA-N 0 3 298.213 3.306 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000787329880 629009159 /nfs/dbraw/zinc/00/91/59/629009159.db2.gz AOHOJBPFGRAEQU-INIZCTEOSA-N 0 3 282.318 3.180 20 30 CGEDHN CCN(C)c1ccc(C(C)=NNCCc2ccccn2)cc1 ZINC000789102415 629105163 /nfs/dbraw/zinc/10/51/63/629105163.db2.gz AITVCSQTAUWMER-UHFFFAOYSA-N 0 3 296.418 3.094 20 30 CGEDHN CCCCCCCCCN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000792231134 629350483 /nfs/dbraw/zinc/35/04/83/629350483.db2.gz KZFRQJTUARCLAY-OAHLLOKOSA-N 0 3 289.485 3.104 20 30 CGEDHN CCCCCCCCCN1CCN(CCC#N)CC1 ZINC000792264155 629353117 /nfs/dbraw/zinc/35/31/17/629353117.db2.gz KDOGVZBOOWLOCX-UHFFFAOYSA-N 0 3 265.445 3.268 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000862401194 629363645 /nfs/dbraw/zinc/36/36/45/629363645.db2.gz AWWROWSPBDUIET-CQSZACIVSA-N 0 3 285.387 3.082 20 30 CGEDHN N#Cc1csc(CN2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000862482566 629386034 /nfs/dbraw/zinc/38/60/34/629386034.db2.gz JVSDPZBPSYXRMY-KRWDZBQOSA-N 0 3 298.411 3.103 20 30 CGEDHN COCCCC1(C=Nn2cnnc2-c2ccccc2)CCC1 ZINC000863078247 629468163 /nfs/dbraw/zinc/46/81/63/629468163.db2.gz UMXGSUYETOAAEP-UHFFFAOYSA-N 0 3 298.390 3.376 20 30 CGEDHN CCC(=NN[C@@H](C)COc1ccccc1)c1ccc(N)cc1 ZINC000863112917 629476318 /nfs/dbraw/zinc/47/63/18/629476318.db2.gz OVYYHVMKTXKLBJ-AWEZNQCLSA-N 0 3 297.402 3.440 20 30 CGEDHN CC(=NNCc1ccccc1N(C)C)c1ccc(N)cc1C ZINC000794955946 629605789 /nfs/dbraw/zinc/60/57/89/629605789.db2.gz CDEJDCZHOFSVDL-UHFFFAOYSA-N 0 3 296.418 3.157 20 30 CGEDHN CC#Cc1cccc(-c2cccc([C@H]3CNCCO3)c2)c1 ZINC000863691704 629649083 /nfs/dbraw/zinc/64/90/83/629649083.db2.gz RTWXTPZAEQDYFO-LJQANCHMSA-N 0 3 277.367 3.386 20 30 CGEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000796788226 629834660 /nfs/dbraw/zinc/83/46/60/629834660.db2.gz INFFHBGYQRVJBA-IUODEOHRSA-N 0 3 286.375 3.469 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000798086884 630021174 /nfs/dbraw/zinc/02/11/74/630021174.db2.gz XHVWHCGTPSQUAH-LRDDRELGSA-N 0 3 295.810 3.425 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccn3)C2)s1 ZINC000798964871 630130745 /nfs/dbraw/zinc/13/07/45/630130745.db2.gz NJJOQGNOADTSNH-GFCCVEGCSA-N 0 3 269.373 3.004 20 30 CGEDHN CCOc1cc(F)cc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000865608875 630218647 /nfs/dbraw/zinc/21/86/47/630218647.db2.gz DEMSHJRIQHKJOF-SMDDNHRTSA-N 0 3 262.328 3.006 20 30 CGEDHN C[C@H]1CC[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000800809216 630300821 /nfs/dbraw/zinc/30/08/21/630300821.db2.gz FZSGFMKINNTTQO-QWHCGFSZSA-N 0 3 254.337 3.215 20 30 CGEDHN C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])[C@H]1CCCO1 ZINC000808713241 630669172 /nfs/dbraw/zinc/66/91/72/630669172.db2.gz FXLGATTXLIIWSD-TUKIKUTGSA-N 0 3 293.794 3.185 20 30 CGEDHN C#C[C@H](C)NCc1cc(C)c(OC(F)F)c(C)c1 ZINC000809683181 630779976 /nfs/dbraw/zinc/77/99/76/630779976.db2.gz SYXAEWNEIYFNKU-NSHDSACASA-N 0 3 253.292 3.016 20 30 CGEDHN C#C[C@H](NCc1ccc(OC(F)F)c(F)c1)C(C)C ZINC000809685349 630781028 /nfs/dbraw/zinc/78/10/28/630781028.db2.gz OWUNQNHMZAZDML-LBPRGKRZSA-N 0 3 271.282 3.175 20 30 CGEDHN C[C@H](O)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810212967 630854832 /nfs/dbraw/zinc/85/48/32/630854832.db2.gz IOZYLWUIQOKLSR-ORAYPTAESA-N 0 3 292.382 3.389 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCCSC3)nc21 ZINC000810590591 630899279 /nfs/dbraw/zinc/89/92/79/630899279.db2.gz QCKUXLSXTUEHFO-VXGBXAGGSA-N 0 3 299.399 3.191 20 30 CGEDHN CCN(CC)c1ccc(C=NNC[C@H]2CCSC2)cc1 ZINC000811660411 631101937 /nfs/dbraw/zinc/10/19/37/631101937.db2.gz MMOYVAZDFHHIFY-OAHLLOKOSA-N 0 3 291.464 3.209 20 30 CGEDHN Cc1cccc(C(C)C)c1N=NC1CN(C)C[C@@H]1C ZINC000812232642 631224849 /nfs/dbraw/zinc/22/48/49/631224849.db2.gz JLSVDYCCJJNFCL-ZDUSSCGKSA-N 0 3 259.397 3.468 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1nn(C)cc1C(F)F ZINC000866563408 633192086 /nfs/dbraw/zinc/19/20/86/633192086.db2.gz LFTHCAQXFLEYLF-VHSXEESVSA-N 0 3 257.328 3.048 20 30 CGEDHN N#Cc1ccc2c(c1)C[C@@H](N[C@@H]1CCCc3scnc31)C2 ZINC000866617020 633216123 /nfs/dbraw/zinc/21/61/23/633216123.db2.gz WWYBNXJNVUXHLV-LSDHHAIUSA-N 0 3 295.411 3.149 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2c(Cl)n(C)nc2CC)C1 ZINC000826946048 633445065 /nfs/dbraw/zinc/44/50/65/633445065.db2.gz DGAPXOBGLWXYCZ-LBPRGKRZSA-N 0 3 281.831 3.424 20 30 CGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000826948503 633445781 /nfs/dbraw/zinc/44/57/81/633445781.db2.gz ZVJSPFPYEICXOF-CYBMUJFWSA-N 0 3 261.365 3.189 20 30 CGEDHN C=CC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000826948503 633445784 /nfs/dbraw/zinc/44/57/84/633445784.db2.gz ZVJSPFPYEICXOF-CYBMUJFWSA-N 0 3 261.365 3.189 20 30 CGEDHN C#C[C@@H](NCc1ccccc1C(F)(F)F)C1CCOCC1 ZINC000827576076 633501351 /nfs/dbraw/zinc/50/13/51/633501351.db2.gz YEEHKTVOCXKIOP-OAHLLOKOSA-N 0 3 297.320 3.223 20 30 CGEDHN C=C1CCC(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000830997899 633907609 /nfs/dbraw/zinc/90/76/09/633907609.db2.gz FQUGWUZZCALNAG-UHFFFAOYSA-N 0 3 286.419 3.224 20 30 CGEDHN C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc([O-])c2F)CC1 ZINC000872139916 634063407 /nfs/dbraw/zinc/06/34/07/634063407.db2.gz SKZDYLTUHZCIFR-AVGNSLFASA-N 0 3 261.340 3.374 20 30 CGEDHN Cc1cc(F)ccc1[C@@H]1CCCN1CCO[C@@H](C)C#N ZINC000832524719 634070505 /nfs/dbraw/zinc/07/05/05/634070505.db2.gz RCBLGVWNKABJJR-BBRMVZONSA-N 0 3 276.355 3.200 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccnc1Cl ZINC000834894348 634272287 /nfs/dbraw/zinc/27/22/87/634272287.db2.gz RKCOZRYVNAOGHG-UHTWSYAYSA-N 0 3 266.772 3.119 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CCSC)cc1 ZINC000876641584 634873416 /nfs/dbraw/zinc/87/34/16/634873416.db2.gz PQTRMIDQGPEVSA-ZDUSSCGKSA-N 0 3 298.839 3.001 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000876886431 634921490 /nfs/dbraw/zinc/92/14/90/634921490.db2.gz VPJAZGWYDSZDJB-SMDDNHRTSA-N 0 3 292.810 3.387 20 30 CGEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877165423 635005240 /nfs/dbraw/zinc/00/52/40/635005240.db2.gz KUNSBXJQTPASEC-UHFFFAOYSA-N 0 3 291.345 3.373 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)CCc1cncc2ccccc21 ZINC000877321555 635025513 /nfs/dbraw/zinc/02/55/13/635025513.db2.gz OAUJYLSXHRYJJU-KGLIPLIRSA-N 0 3 267.376 3.305 20 30 CGEDHN C#C[C@H](C)NCc1cc2nc(Cl)ccc2s1 ZINC000877513630 635066386 /nfs/dbraw/zinc/06/63/86/635066386.db2.gz BNKLTLBERGBVSL-QMMMGPOBSA-N 0 3 250.754 3.061 20 30 CGEDHN C#C[C@H](NCc1ccc(C(F)F)nc1)C(C)(C)C ZINC000877534857 635076607 /nfs/dbraw/zinc/07/66/07/635076607.db2.gz PGKBZDOFUWOVJW-LBPRGKRZSA-N 0 3 252.308 3.157 20 30 CGEDHN CS[C@@H]1CCCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877610898 635111669 /nfs/dbraw/zinc/11/16/69/635111669.db2.gz LSCAGPWPMFRKQF-CHWSQXEVSA-N 0 3 295.839 3.370 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758287 635187534 /nfs/dbraw/zinc/18/75/34/635187534.db2.gz RGUIBNRKHKYBAO-KGLIPLIRSA-N 0 3 288.391 3.142 20 30 CGEDHN N#CCC1(CN2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000877928394 635274417 /nfs/dbraw/zinc/27/44/17/635274417.db2.gz UTZVYEWATIBXND-KRWDZBQOSA-N 0 3 284.403 3.126 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H](C)C1)c1ccccc1 ZINC000877935546 635279382 /nfs/dbraw/zinc/27/93/82/635279382.db2.gz TYRJGGPRNGFPSN-CRAIPNDOSA-N 0 3 284.403 3.159 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CCC12CCCC2)c1ccccc1 ZINC000878802186 635632134 /nfs/dbraw/zinc/63/21/34/635632134.db2.gz XILFEMUIYDDFHV-LJQANCHMSA-N 0 3 296.414 3.446 20 30 CGEDHN C#CC[C@H]1CCCN(Cc2cnc(N(CC)CC)s2)C1 ZINC000843424163 635668883 /nfs/dbraw/zinc/66/88/83/635668883.db2.gz PWZQNRIZDLWAAH-AWEZNQCLSA-N 0 3 291.464 3.225 20 30 CGEDHN C#CC1CCN(Cc2ccc(OC)c(OCC(=C)C)c2)CC1 ZINC000843426707 635671400 /nfs/dbraw/zinc/67/14/00/635671400.db2.gz HNTLPUTUXQZNBS-UHFFFAOYSA-N 0 3 299.414 3.495 20 30 CGEDHN C#CC1CCN(Cc2ccc(OC)c(OCCC)c2)CC1 ZINC000843428690 635673355 /nfs/dbraw/zinc/67/33/55/635673355.db2.gz MFBSXUFIFDKTDT-UHFFFAOYSA-N 0 3 287.403 3.329 20 30 CGEDHN CC1(C)CCC[C@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000879064625 635693572 /nfs/dbraw/zinc/69/35/72/635693572.db2.gz KWGACCKAIRQDIQ-QGZVFWFLSA-N 0 3 298.430 3.458 20 30 CGEDHN O[C@H](c1ccccc1)[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000879246795 635734617 /nfs/dbraw/zinc/73/46/17/635734617.db2.gz XVBJMLHYIIRIKB-VQTJNVASSA-N 0 3 291.394 3.236 20 30 CGEDHN CN(C[C@@H]1CC(C)(C)OC1(C)C)[C@@H]1CCC[C@H]1C#N ZINC000879310545 635752815 /nfs/dbraw/zinc/75/28/15/635752815.db2.gz VMSOIDAKZCMEGL-MELADBBJSA-N 0 3 264.413 3.204 20 30 CGEDHN C=C(Br)CNC[C@H](C)c1ccc(F)cc1 ZINC000127877715 635817274 /nfs/dbraw/zinc/81/72/74/635817274.db2.gz FLRYNQDHQJMXAB-VIFPVBQESA-N 0 3 272.161 3.427 20 30 CGEDHN N#Cc1ccccc1OCCN1CCC[C@@]2(CC2(F)F)C1 ZINC000844440472 635902239 /nfs/dbraw/zinc/90/22/39/635902239.db2.gz USLWKFPFWRSXKV-OAHLLOKOSA-N 0 3 292.329 3.058 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2C=C)CC1 ZINC000880215394 635941533 /nfs/dbraw/zinc/94/15/33/635941533.db2.gz WEUGVHQZDCEZNC-UHFFFAOYSA-N 0 3 285.391 3.102 20 30 CGEDHN C#CCC1(O)CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000880479366 636008237 /nfs/dbraw/zinc/00/82/37/636008237.db2.gz OFJSOXJFCQMDLZ-CYBMUJFWSA-N 0 3 277.795 3.251 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCC[C@]23CCCO3)c(Cl)c1 ZINC000880500773 636010569 /nfs/dbraw/zinc/01/05/69/636010569.db2.gz BSIZIKPWTDPWHP-CVEARBPZSA-N 0 3 290.794 3.403 20 30 CGEDHN N#Cc1cccc(C2(NCC3(Br)CC3)CC2)c1 ZINC000846844336 636258034 /nfs/dbraw/zinc/25/80/34/636258034.db2.gz BCRMCOBRZPYCDD-UHFFFAOYSA-N 0 3 291.192 3.064 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccccc2OC(C)C)C1 ZINC000847024732 636315153 /nfs/dbraw/zinc/31/51/53/636315153.db2.gz SAMLXUSXBJQSTJ-OAHLLOKOSA-N 0 3 257.377 3.319 20 30 CGEDHN Fc1ccc(N=NC2CCCN3CCCC[C@H]23)c(F)c1 ZINC000848398591 636566383 /nfs/dbraw/zinc/56/63/83/636566383.db2.gz KCPYPPKFACDEAE-OAHLLOKOSA-N 0 3 279.334 3.381 20 30 CGEDHN O=[N+]([O-])c1cccc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848399372 636567842 /nfs/dbraw/zinc/56/78/42/636567842.db2.gz PHKGFMZOIGPOSS-OAHLLOKOSA-N 0 3 288.351 3.011 20 30 CGEDHN c1cnc(C2CCC2)c(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848410901 636570739 /nfs/dbraw/zinc/57/07/39/636570739.db2.gz KEASRAUKNJEHFI-HNNXBMFYSA-N 0 3 299.422 3.160 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000848923505 636694111 /nfs/dbraw/zinc/69/41/11/636694111.db2.gz FYAOOCXLFMNANA-AWEZNQCLSA-N 0 3 297.377 3.071 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000848924261 636695653 /nfs/dbraw/zinc/69/56/53/636695653.db2.gz OWWUCQNPDMDATG-QGZVFWFLSA-N 0 3 293.414 3.334 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@H](CC)c1cc(F)ccc1F ZINC000883389567 636732795 /nfs/dbraw/zinc/73/27/95/636732795.db2.gz UBEDNXCWDFPUBN-IUODEOHRSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000883400018 636741533 /nfs/dbraw/zinc/74/15/33/636741533.db2.gz BMZDYSFFFISZMC-LBPRGKRZSA-N 0 3 291.288 3.261 20 30 CGEDHN C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(C#N)cc1F ZINC000886125083 637426380 /nfs/dbraw/zinc/42/63/80/637426380.db2.gz IYSUABCITBAJDU-YLVFBTJISA-N 0 3 288.366 3.306 20 30 CGEDHN C#CC[C@@H]1CCN(CC(=O)Nc2cccc3ccccc32)C1 ZINC000886359770 637512285 /nfs/dbraw/zinc/51/22/85/637512285.db2.gz JQRJYFWJBPCYSF-OAHLLOKOSA-N 0 3 292.382 3.124 20 30 CGEDHN C#CCC1(NCc2cc(Cl)ccc2F)CCOCC1 ZINC000886379100 637521183 /nfs/dbraw/zinc/52/11/83/637521183.db2.gz NTWHLQBTWKBXIO-UHFFFAOYSA-N 0 3 281.758 3.141 20 30 CGEDHN C#CCN(C(=O)[C@H](CCCC)C(C)C)C1CCN(C)CC1 ZINC000886573309 637586519 /nfs/dbraw/zinc/58/65/19/637586519.db2.gz DTEFFYWFMODTSF-QGZVFWFLSA-N 0 3 292.467 3.005 20 30 CGEDHN C#CCN(C(=O)CCCCCC(C)C)C1CCN(C)CC1 ZINC000886581187 637590796 /nfs/dbraw/zinc/59/07/96/637590796.db2.gz MPDLENLKPAPZRV-UHFFFAOYSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CC[C@H]1CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000852410468 637649078 /nfs/dbraw/zinc/64/90/78/637649078.db2.gz MKFWLURSWUDIKW-WFASDCNBSA-N 0 3 281.346 3.286 20 30 CGEDHN C=CCN(C[C@H](O)c1c(F)cccc1F)C(C)(C)C ZINC000852552718 637676733 /nfs/dbraw/zinc/67/67/33/637676733.db2.gz CWPAWKOVTDNRJF-ZDUSSCGKSA-N 0 3 269.335 3.285 20 30 CGEDHN C=CCC1(O)CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000886762512 637680221 /nfs/dbraw/zinc/68/02/21/637680221.db2.gz ZXNCWULCAJIDBN-UHFFFAOYSA-N 0 3 289.419 3.377 20 30 CGEDHN COc1ccc2c(c1)nccc2N1CCC[C@H](CC#N)C1 ZINC000853761459 637911314 /nfs/dbraw/zinc/91/13/14/637911314.db2.gz OHPNFXDMBKVOBG-CYBMUJFWSA-N 0 3 281.359 3.373 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCOC23CCCCC3)c(F)c1 ZINC000924977448 638434384 /nfs/dbraw/zinc/43/43/84/638434384.db2.gz AGTALXZYZNZGSM-INIZCTEOSA-N 0 3 288.366 3.279 20 30 CGEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000925601946 638542778 /nfs/dbraw/zinc/54/27/78/638542778.db2.gz PWXYIHOVQTWUQY-XJKSGUPXSA-N 0 3 281.359 3.483 20 30 CGEDHN C=CC[C@@H](CO)CN[C@H](CCC)c1ncccc1Cl ZINC000925700144 638572530 /nfs/dbraw/zinc/57/25/30/638572530.db2.gz ZAZHTNJRALVTHX-TZMCWYRMSA-N 0 3 282.815 3.350 20 30 CGEDHN N#CCC[C@@H](Nc1ccnc(CO)c1)c1ccccc1 ZINC000858455077 638723587 /nfs/dbraw/zinc/72/35/87/638723587.db2.gz QOFAHILETCSIQE-MRXNPFEDSA-N 0 3 267.332 3.031 20 30 CGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccnn1CC1CCC1 ZINC000926568268 638786109 /nfs/dbraw/zinc/78/61/09/638786109.db2.gz KRDIBKGFKVUXAT-CYBMUJFWSA-N 0 3 274.412 3.274 20 30 CGEDHN C=CCCC(C)(C)CN[C@H](C)c1cc(OC)no1 ZINC000926781618 638810816 /nfs/dbraw/zinc/81/08/16/638810816.db2.gz SXOXOECLSLUTHW-LLVKDONJSA-N 0 3 252.358 3.326 20 30 CGEDHN CN(Cc1cncc(C#N)c1)[C@H]1CCCc2ccccc21 ZINC000929129108 638901022 /nfs/dbraw/zinc/90/10/22/638901022.db2.gz HGRQVCTWLXDJKI-SFHVURJKSA-N 0 3 277.371 3.463 20 30 CGEDHN CC[C@H]1CO[C@@H](C)CN1CCCCC1(C#N)CCC1 ZINC000929270308 638913408 /nfs/dbraw/zinc/91/34/08/638913408.db2.gz NLMXDVWUFBLDMD-GJZGRUSLSA-N 0 3 264.413 3.350 20 30 CGEDHN N#CCOc1ccc(CNCc2cccc(F)c2)cc1 ZINC000035254870 638927611 /nfs/dbraw/zinc/92/76/11/638927611.db2.gz HVNVGMJCZLLYII-UHFFFAOYSA-N 0 3 270.307 3.018 20 30 CGEDHN C=C1CCN(Cc2ccc(C(=O)OC)c3cccnc23)CC1 ZINC000929603413 638933977 /nfs/dbraw/zinc/93/39/77/638933977.db2.gz IEJYVTSXMLTTQH-UHFFFAOYSA-N 0 3 296.370 3.173 20 30 CGEDHN CC[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@H](C)O1 ZINC000929618468 638935002 /nfs/dbraw/zinc/93/50/02/638935002.db2.gz AHVTWEIMBPPRLA-LSDHHAIUSA-N 0 3 264.413 3.350 20 30 CGEDHN C#CC[C@H](CCOC)Nc1ccnc2cc(OC)ccc21 ZINC000858857653 639030426 /nfs/dbraw/zinc/03/04/26/639030426.db2.gz XDLSDYMPWVEOSP-CYBMUJFWSA-N 0 3 284.359 3.084 20 30 CGEDHN C=CC[C@H]1CCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000859446438 639143041 /nfs/dbraw/zinc/14/30/41/639143041.db2.gz ZWZNNWLZBVTNNG-NHYWBVRUSA-N 0 3 283.774 3.411 20 30 CGEDHN Cc1n[nH]cc1CN(C)CCCCC1(C#N)CCC1 ZINC000931417783 639146180 /nfs/dbraw/zinc/14/61/80/639146180.db2.gz OZAMMMYENSBJET-UHFFFAOYSA-N 0 3 260.385 3.014 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000932348320 639317311 /nfs/dbraw/zinc/31/73/11/639317311.db2.gz RWJGRKYCJYQPEA-AWEZNQCLSA-N 0 3 272.392 3.099 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000932348321 639317908 /nfs/dbraw/zinc/31/79/08/639317908.db2.gz RWJGRKYCJYQPEA-CQSZACIVSA-N 0 3 272.392 3.099 20 30 CGEDHN C=CC1(CC(=O)N2CCCN(CC)CC2)CCCCC1 ZINC000932353472 639319413 /nfs/dbraw/zinc/31/94/13/639319413.db2.gz ZKQYLVJTRWKKEY-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C#CCN(Cc1ccc(SC(=O)N(C)C)cc1)C(C)C ZINC000932390808 639325219 /nfs/dbraw/zinc/32/52/19/639325219.db2.gz QCEVXXCMCUOBAQ-UHFFFAOYSA-N 0 3 290.432 3.304 20 30 CGEDHN CC[C@@H](NCCCC#N)c1cc(F)ccc1OC ZINC000932467316 639337344 /nfs/dbraw/zinc/33/73/44/639337344.db2.gz AXGXZRCUOZVTTE-CYBMUJFWSA-N 0 3 250.317 3.179 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](CC)c1cc(F)ccc1OC ZINC000932475730 639340930 /nfs/dbraw/zinc/34/09/30/639340930.db2.gz WDIIVDLHKBMXEJ-ZFWWWQNUSA-N 0 3 281.371 3.202 20 30 CGEDHN C#CCC1(NCc2ccn(C(C)C)n2)CCCCC1 ZINC000933268977 639434193 /nfs/dbraw/zinc/43/41/93/639434193.db2.gz HYTOTFMNELGHOQ-UHFFFAOYSA-N 0 3 259.397 3.280 20 30 CGEDHN C=CCCCN(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000934649180 639649951 /nfs/dbraw/zinc/64/99/51/639649951.db2.gz MTRHIVCJQFXOCQ-UHFFFAOYSA-N 0 3 299.418 3.221 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001006450555 640261949 /nfs/dbraw/zinc/26/19/49/640261949.db2.gz FQCGOMCKDYWIMM-GJZGRUSLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001006458384 640318564 /nfs/dbraw/zinc/31/85/64/640318564.db2.gz LYFKGNUXBOWGCT-OAHLLOKOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC1CCN(Cc2cc(OC)ccc2OCOC)CC1 ZINC000093359291 640769197 /nfs/dbraw/zinc/76/91/97/640769197.db2.gz QRSPBVSJJUIBOS-UHFFFAOYSA-N 0 3 291.391 3.076 20 30 CGEDHN C=C(Cl)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253085976 640870846 /nfs/dbraw/zinc/87/08/46/640870846.db2.gz AEQVECBEGIYEJA-BFHYXJOUSA-N 0 3 257.805 3.145 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001007299880 640941208 /nfs/dbraw/zinc/94/12/08/640941208.db2.gz RYPKNIVFFKOWFC-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016111857 640993153 /nfs/dbraw/zinc/99/31/53/640993153.db2.gz VHDTVRYIBBCZNO-NSHDSACASA-N 0 3 298.839 3.090 20 30 CGEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001016338196 640995468 /nfs/dbraw/zinc/99/54/68/640995468.db2.gz XIMJCPDJAMSTAT-OAHLLOKOSA-N 0 3 298.386 3.121 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001017655738 641015091 /nfs/dbraw/zinc/01/50/91/641015091.db2.gz IOLTZTYONXDZFH-OIISXLGYSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001155586988 805596024 /nfs/dbraw/zinc/59/60/24/805596024.db2.gz SQURITAEEIRSDW-UHFFFAOYSA-N 0 3 298.789 3.041 20 30 CGEDHN C=CCCC(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001155601489 805596483 /nfs/dbraw/zinc/59/64/83/805596483.db2.gz CQLUAPPXDSWNIN-LBPRGKRZSA-N 0 3 296.361 3.088 20 30 CGEDHN Cc1c2[nH]c(Cc3ccc(C#N)cc3)nc2ccc1F ZINC001250587230 805709774 /nfs/dbraw/zinc/70/97/74/805709774.db2.gz CJIWZONPFLJFJY-UHFFFAOYSA-N 0 3 265.291 3.473 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001157347960 805796960 /nfs/dbraw/zinc/79/69/60/805796960.db2.gz YNAFHYJTXJDDRN-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1sccc1C ZINC001157459210 805816963 /nfs/dbraw/zinc/81/69/63/805816963.db2.gz ULIXQKXPOOMSJM-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1C=CCCC1 ZINC001158113827 805923021 /nfs/dbraw/zinc/92/30/21/805923021.db2.gz XCDUSFGOLSCOJO-IAGOWNOFSA-N 0 3 290.451 3.232 20 30 CGEDHN Cc1ccc(C#N)c(N(C2CCCC2)C2CCN(C)CC2)n1 ZINC001158488406 805960622 /nfs/dbraw/zinc/96/06/22/805960622.db2.gz XVLWPWSQRNMMCQ-UHFFFAOYSA-N 0 3 298.434 3.105 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC[C@@H](C)CC ZINC001158631641 805979025 /nfs/dbraw/zinc/97/90/25/805979025.db2.gz VPHQEAKMOOQWNL-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN CCCCCCCC[C@@H](O)CN[C@@H](C)c1cncnc1 ZINC001252133170 806018204 /nfs/dbraw/zinc/01/82/04/806018204.db2.gz GXYFJRKOLQQTBA-GOEBONIOSA-N 0 3 279.428 3.239 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1ccc(OC)cn1 ZINC001252138536 806023814 /nfs/dbraw/zinc/02/38/14/806023814.db2.gz AUFFTIJSMICCIO-MRXNPFEDSA-N 0 3 294.439 3.291 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cncc(F)c1 ZINC001252136618 806024171 /nfs/dbraw/zinc/02/41/71/806024171.db2.gz RZYOZXVHJPLZNC-INIZCTEOSA-N 0 3 282.403 3.422 20 30 CGEDHN C=CCOC[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001252464797 806048219 /nfs/dbraw/zinc/04/82/19/806048219.db2.gz AFNIJXGTSJTOLB-JKSUJKDBSA-N 0 3 295.810 3.040 20 30 CGEDHN C=C[C@](C)(O)CNCc1cc(Cl)ccc1Cl ZINC001252573140 806072685 /nfs/dbraw/zinc/07/26/85/806072685.db2.gz ZPONFRLOTGPSQV-LBPRGKRZSA-N 0 3 260.164 3.020 20 30 CGEDHN C=C[C@](C)(O)CNCc1cccc(C(F)(F)F)c1Cl ZINC001252576514 806074297 /nfs/dbraw/zinc/07/42/97/806074297.db2.gz MFMJTRJBGMRZEF-LBPRGKRZSA-N 0 3 293.716 3.385 20 30 CGEDHN C=CCC[C@@H](O)CNCc1ccc(C(F)(F)F)cc1F ZINC001252616738 806090568 /nfs/dbraw/zinc/09/05/68/806090568.db2.gz SKMNEBBFEQCBNU-GFCCVEGCSA-N 0 3 291.288 3.261 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNC1(C)COC1 ZINC001252982445 806145131 /nfs/dbraw/zinc/14/51/31/806145131.db2.gz DVVODHXCBABNBL-OAHLLOKOSA-N 0 3 271.445 3.257 20 30 CGEDHN C=CCCCCCC[C@H](O)CN1CCc2[nH]ccc2C1 ZINC001253242553 806191560 /nfs/dbraw/zinc/19/15/60/806191560.db2.gz NEYPCADPXMUEAR-INIZCTEOSA-N 0 3 276.424 3.260 20 30 CGEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C#N)CC1 ZINC001254559487 806449440 /nfs/dbraw/zinc/44/94/40/806449440.db2.gz KBYNKSCNCZNKRF-KGLIPLIRSA-N 0 3 287.363 3.151 20 30 CGEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC#N)C1 ZINC001254558490 806449611 /nfs/dbraw/zinc/44/96/11/806449611.db2.gz BTBDNCNRPNQPBM-KGLIPLIRSA-N 0 3 287.363 3.151 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCOc3ccc(Cl)cc32)C1 ZINC001254652167 806474236 /nfs/dbraw/zinc/47/42/36/806474236.db2.gz BAZGSEDSCSBHMX-QKCSRTOESA-N 0 3 276.767 3.445 20 30 CGEDHN CC[C@@H](CC#N)NC[C@H](c1ccccc1)N1CCCC1 ZINC001255153004 806554631 /nfs/dbraw/zinc/55/46/31/806554631.db2.gz NAKOKXLADYKJKN-DLBZAZTESA-N 0 3 271.408 3.105 20 30 CGEDHN CC[C@H](CC#N)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001255153007 806555341 /nfs/dbraw/zinc/55/53/41/806555341.db2.gz NAKOKXLADYKJKN-SJORKVTESA-N 0 3 271.408 3.105 20 30 CGEDHN CC(C)(C)C(=N)Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001162664286 806643523 /nfs/dbraw/zinc/64/35/23/806643523.db2.gz BJUNRPFJSOQKTL-UHFFFAOYSA-N 0 3 270.258 3.407 20 30 CGEDHN N#Cc1cnc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001255698565 806709184 /nfs/dbraw/zinc/70/91/84/806709184.db2.gz YCYZRNIYZBBUIG-BDAKNGLRSA-N 0 3 289.326 3.225 20 30 CGEDHN CC(C)(CCC#N)CNCc1occc1Br ZINC000381113706 799373507 /nfs/dbraw/zinc/37/35/07/799373507.db2.gz GQKHYWZFQVYOSZ-UHFFFAOYSA-N 0 3 285.185 3.462 20 30 CGEDHN C=C(Br)CN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000389265658 799460957 /nfs/dbraw/zinc/46/09/57/799460957.db2.gz IFUIKYRXEYUCIB-UWVGGRQHSA-N 0 3 278.259 3.405 20 30 CGEDHN CC[C@@H](CC#N)N[C@H](C)CCOCc1ccccc1 ZINC000390291580 799469147 /nfs/dbraw/zinc/46/91/47/799469147.db2.gz YZKIFEWUCGXVDP-ZBFHGGJFSA-N 0 3 260.381 3.264 20 30 CGEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000393755828 799490045 /nfs/dbraw/zinc/49/00/45/799490045.db2.gz XBNDZMPIOOQFJB-GFCCVEGCSA-N 0 3 269.772 3.499 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2nc(C#N)cs2)CC(C)(C)C1 ZINC000708294459 799985633 /nfs/dbraw/zinc/98/56/33/799985633.db2.gz OCYWCDKGKGISTN-GHMZBOCLSA-N 0 3 263.410 3.319 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)/C=C/C(C)(C)C)CC1 ZINC001163832010 806834090 /nfs/dbraw/zinc/83/40/90/806834090.db2.gz YPPFGVSXRIONEN-AATRIKPKSA-N 0 3 298.858 3.217 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cncc(CN2CC[C@H]2CC=C)c1 ZINC000934459276 800679042 /nfs/dbraw/zinc/67/90/42/800679042.db2.gz HPCCJCLRHLGPPJ-RTBURBONSA-N 0 3 297.446 3.382 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024641241 800733616 /nfs/dbraw/zinc/73/36/16/800733616.db2.gz IBHIZGPNZLEGPM-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001028278983 800837211 /nfs/dbraw/zinc/83/72/11/800837211.db2.gz HEEMMYUZZCVEPO-GOSISDBHSA-N 0 3 294.398 3.220 20 30 CGEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)(C)C)C1 ZINC001032614670 800932758 /nfs/dbraw/zinc/93/27/58/800932758.db2.gz WOEVAHQUTHMMQC-GJZGRUSLSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(CC)(CC)CC ZINC001032703490 800934591 /nfs/dbraw/zinc/93/45/91/800934591.db2.gz WYWOGUBFUHBXCD-HOTGVXAUSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033806868 800984033 /nfs/dbraw/zinc/98/40/33/800984033.db2.gz JGSHSVFGDHWETK-KRWDZBQOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016298 800993477 /nfs/dbraw/zinc/99/34/77/800993477.db2.gz HHQGCXIVIZTVJU-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001034092690 801004158 /nfs/dbraw/zinc/00/41/58/801004158.db2.gz RULNESZNXJBSCL-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001034207487 801010218 /nfs/dbraw/zinc/01/02/18/801010218.db2.gz LPSGRYDOHYQZSN-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001034226348 801012136 /nfs/dbraw/zinc/01/21/36/801012136.db2.gz RDADMQJBFGJCEB-MRXNPFEDSA-N 0 3 298.386 3.203 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001038189134 801119666 /nfs/dbraw/zinc/11/96/66/801119666.db2.gz CUNNZPSNDCIJQF-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001038330747 801124052 /nfs/dbraw/zinc/12/40/52/801124052.db2.gz URQKNYXQWHVNDW-HNNXBMFYSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039044287 801141712 /nfs/dbraw/zinc/14/17/12/801141712.db2.gz YAFPMIZVYGFBDC-SFHVURJKSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)CCC)CC2)C1 ZINC001039095345 801148098 /nfs/dbraw/zinc/14/80/98/801148098.db2.gz DEADKQULLQYJNJ-HNNXBMFYSA-N 0 3 298.858 3.100 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2sccc2Cl)CC1 ZINC001045446267 801275795 /nfs/dbraw/zinc/27/57/95/801275795.db2.gz ONTSYQPPWLFXPQ-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3occc3c2)C1 ZINC001046335518 801306948 /nfs/dbraw/zinc/30/69/48/801306948.db2.gz BGLZBSOSQPKJIO-GOSISDBHSA-N 0 3 298.386 3.203 20 30 CGEDHN C#CCCN1CC[C@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046749787 801324380 /nfs/dbraw/zinc/32/43/80/801324380.db2.gz PIFDAENVXZRXFB-IBGZPJMESA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CCC1 ZINC001049619927 801378187 /nfs/dbraw/zinc/37/81/87/801378187.db2.gz XTZJELHKBYSARL-JKSUJKDBSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC ZINC001049671432 801384321 /nfs/dbraw/zinc/38/43/21/801384321.db2.gz LHOLNKGHYRNOOY-ZWKOTPCHSA-N 0 3 298.430 3.114 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(C/C=C\Cl)CC2)C1 ZINC001052693713 801448739 /nfs/dbraw/zinc/44/87/39/801448739.db2.gz XZZARXIUEQEUFI-ZBKLQPJUSA-N 0 3 296.842 3.066 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccccc2C)CC[C@H]1C ZINC001071319761 801527446 /nfs/dbraw/zinc/52/74/46/801527446.db2.gz UQFANJBKUFHOCW-HZPDHXFCSA-N 0 3 286.419 3.154 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(Cl)o2)CC[C@H]1C ZINC001071352170 801532077 /nfs/dbraw/zinc/53/20/77/801532077.db2.gz NQFMDWIJHCPVLM-NEPJUHHUSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCC(=C)CC2)CC[C@H]1C ZINC001071794800 801551736 /nfs/dbraw/zinc/55/17/36/801551736.db2.gz FQUAPNDKZLFPOC-NVXWUHKLSA-N 0 3 290.451 3.278 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875342 801709462 /nfs/dbraw/zinc/70/94/62/801709462.db2.gz YIJFHZINWDWMAX-HNNXBMFYSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085995656 801718958 /nfs/dbraw/zinc/71/89/58/801718958.db2.gz RXGZNCNGGNVXJJ-AWEZNQCLSA-N 0 3 290.407 3.125 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001086468435 801728526 /nfs/dbraw/zinc/72/85/26/801728526.db2.gz BVADFFGVJBWKDK-MGPQQGTHSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2cccs2)[C@H]1C ZINC001088852186 801811244 /nfs/dbraw/zinc/81/12/44/801811244.db2.gz IQCKZVLNDHJTTQ-MJBXVCDLSA-N 0 3 292.448 3.007 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001089683639 801847979 /nfs/dbraw/zinc/84/79/79/801847979.db2.gz BZETZIQVAFVENI-CABCVRRESA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001089683640 801848008 /nfs/dbraw/zinc/84/80/08/801848008.db2.gz BZETZIQVAFVENI-GJZGRUSLSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001089638451 801848066 /nfs/dbraw/zinc/84/80/66/801848066.db2.gz XPNJNVBEZXUUEM-HNNXBMFYSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C(C)C)CC1 ZINC001099220453 801934965 /nfs/dbraw/zinc/93/49/65/801934965.db2.gz NQMKLUVWECMZLC-OAHLLOKOSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCCC)C1 ZINC001102670913 802016683 /nfs/dbraw/zinc/01/66/83/802016683.db2.gz YHXUOPVTLWZHPJ-TZMCWYRMSA-N 0 3 286.847 3.003 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109353645 802115363 /nfs/dbraw/zinc/11/53/63/802115363.db2.gz QUQAVBLJDCIPCE-PMPSAXMXSA-N 0 3 276.424 3.030 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)C=C(CC)CC)CC1 ZINC001112768197 802189635 /nfs/dbraw/zinc/18/96/35/802189635.db2.gz SEOARVOEAQFXCK-HNNXBMFYSA-N 0 3 278.440 3.232 20 30 CGEDHN C#CCN(Cc1cccc(OCC(F)(F)F)c1)CC1CC1 ZINC001116366099 802337158 /nfs/dbraw/zinc/33/71/58/802337158.db2.gz GFHYCRFXPPXEBM-UHFFFAOYSA-N 0 3 297.320 3.473 20 30 CGEDHN C#CCN(CCSc1ccccc1F)CC1CC1 ZINC001116366649 802337790 /nfs/dbraw/zinc/33/77/90/802337790.db2.gz REYTTWGKLCPOIJ-UHFFFAOYSA-N 0 3 263.381 3.263 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)cc1NC(C)C ZINC001121996305 802855365 /nfs/dbraw/zinc/85/53/65/802855365.db2.gz FQEGUTBQBVTDQI-ZDUSSCGKSA-N 0 3 293.386 3.268 20 30 CGEDHN CC[C@@H](F)C(=O)C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001123246747 802921757 /nfs/dbraw/zinc/92/17/57/802921757.db2.gz AYEZSXRFINFBKB-VXNVDRBHSA-N 0 3 279.702 3.141 20 30 CGEDHN C=CC1(CC(=O)N[C@]2(C)CN3CCC2CC3)CCCCC1 ZINC001131000637 803307806 /nfs/dbraw/zinc/30/78/06/803307806.db2.gz YEXFDUVKCKSLAV-QGZVFWFLSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)CCC)CC[C@H]1C ZINC001132252808 803386386 /nfs/dbraw/zinc/38/63/86/803386386.db2.gz KSRMIDZSZGKAMR-CABCVRRESA-N 0 3 280.456 3.358 20 30 CGEDHN CCc1cc(-c2cc(CN(C)C)ccn2)ccc1C#N ZINC001244951370 803589557 /nfs/dbraw/zinc/58/95/57/803589557.db2.gz FRCXEBAHYCNQIM-UHFFFAOYSA-N 0 3 265.360 3.244 20 30 CGEDHN Cc1ccc2c(CN3CCC4SC(=O)C=C4C3)c[nH]c2c1 ZINC001136969749 803664786 /nfs/dbraw/zinc/66/47/86/803664786.db2.gz AHVIBPRPIWHYLX-INIZCTEOSA-N 0 3 298.411 3.250 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341501 803720255 /nfs/dbraw/zinc/72/02/55/803720255.db2.gz PBRULNYICMNXSE-LBPRGKRZSA-N 0 3 256.324 3.152 20 30 CGEDHN COc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)c(C#N)c1 ZINC001137699656 803760759 /nfs/dbraw/zinc/76/07/59/803760759.db2.gz PEQFWYGUXLZAKR-KBPBESRZSA-N 0 3 270.376 3.189 20 30 CGEDHN C=CCc1cccc(C[N@H+]2C[C@@H](C)CC23CC3)c1[O-] ZINC001138630409 803986747 /nfs/dbraw/zinc/98/67/47/803986747.db2.gz WDICNILKBOWDRJ-ZDUSSCGKSA-N 0 3 257.377 3.495 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2C[C@@H](C)CC23CC3)c1[O-] ZINC001138630409 803986752 /nfs/dbraw/zinc/98/67/52/803986752.db2.gz WDICNILKBOWDRJ-ZDUSSCGKSA-N 0 3 257.377 3.495 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H]2OCCC[C@H]2C1 ZINC001139026791 804111806 /nfs/dbraw/zinc/11/18/06/804111806.db2.gz AROGZUVBXUPPDN-FUHWJXTLSA-N 0 3 287.403 3.252 20 30 CGEDHN C=CCn1cc(CN2CCC(CCCC)CC2)cn1 ZINC001139768629 804277143 /nfs/dbraw/zinc/27/71/43/804277143.db2.gz RLDSRCMNIPFWQJ-UHFFFAOYSA-N 0 3 261.413 3.471 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)cccc1Cl ZINC001139870112 804302379 /nfs/dbraw/zinc/30/23/79/804302379.db2.gz YQVWGGDFGCJYIN-UHFFFAOYSA-N 0 3 294.826 3.228 20 30 CGEDHN N#Cc1cc(F)cc(CN2CC[C@H](c3ccncc3)C2)c1 ZINC001139874588 804306008 /nfs/dbraw/zinc/30/60/08/804306008.db2.gz DJZHEZQQUHMXHV-INIZCTEOSA-N 0 3 281.334 3.082 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(cnn2C)c1 ZINC001139950601 804332656 /nfs/dbraw/zinc/33/26/56/804332656.db2.gz BPPOHCJYLFOQGW-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN CN(CCc1ccc(Cl)cc1)Cc1ccc(C#N)nc1 ZINC001140543459 804458323 /nfs/dbraw/zinc/45/83/23/804458323.db2.gz ALBXCRNQJHUGFP-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN N#Cc1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC001140808515 804525621 /nfs/dbraw/zinc/52/56/21/804525621.db2.gz UIKPAXGJBCFAGH-STQMWFEESA-N 0 3 260.768 3.444 20 30 CGEDHN N#Cc1c(N)sc(CN2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001141106500 804590710 /nfs/dbraw/zinc/59/07/10/804590710.db2.gz BCPWLQDCJXBHBI-DTORHVGOSA-N 0 3 281.812 3.087 20 30 CGEDHN C[Si](C)(C)c1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001141732046 804665315 /nfs/dbraw/zinc/66/53/15/804665315.db2.gz AIZPJPZAORLMJV-OAHLLOKOSA-N 0 3 286.495 3.357 20 30 CGEDHN CCCCCCCCCN(C)C(=O)CN1CCCC1 ZINC001142105381 804694664 /nfs/dbraw/zinc/69/46/64/804694664.db2.gz YGDLQQCOWAZYNG-UHFFFAOYSA-N 0 3 268.445 3.291 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NCCCNCC=C(Cl)Cl ZINC001165929722 807027244 /nfs/dbraw/zinc/02/72/44/807027244.db2.gz PERUTWHFLYPFMJ-ZDUSSCGKSA-N 0 3 293.238 3.004 20 30 CGEDHN COc1cccc(CCCN(C)Cc2ccc(C#N)cn2)c1 ZINC001144163805 804946405 /nfs/dbraw/zinc/94/64/05/804946405.db2.gz WUVKJHJTYHVDSM-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN Cc1noc2ccc(CN3CCC(S)CC3)cc12 ZINC001248705909 804971951 /nfs/dbraw/zinc/97/19/51/804971951.db2.gz JXMHZZHKQGAUQY-UHFFFAOYSA-N 0 3 262.378 3.030 20 30 CGEDHN N#C[C@H]1CCCN(Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144415829 804984468 /nfs/dbraw/zinc/98/44/68/804984468.db2.gz NKUGOLGQDXCBRB-NSHDSACASA-N 0 3 288.782 3.342 20 30 CGEDHN CCCCCCCC[C@@H](C)C(=O)NCCNCCF ZINC001151847870 805318030 /nfs/dbraw/zinc/31/80/30/805318030.db2.gz APXYXBKRDUURAN-CQSZACIVSA-N 0 3 274.424 3.048 20 30 CGEDHN CCCCCCC[NH2+]CCCNC(=O)c1ccccc1[O-] ZINC001154772150 805483304 /nfs/dbraw/zinc/48/33/04/805483304.db2.gz DXXKFVMVWWWVFA-UHFFFAOYSA-N 0 3 292.423 3.072 20 30 CGEDHN N#CC1CCC(N2CCC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC001256972142 807019846 /nfs/dbraw/zinc/01/98/46/807019846.db2.gz RLIMZRAQOPKTBX-PREGVCBESA-N 0 3 297.402 3.172 20 30 CGEDHN CCC[C@@H](C)CC[C@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001257478070 807176144 /nfs/dbraw/zinc/17/61/44/807176144.db2.gz QAOJWVXTEOJUIO-RFGFWPKPSA-N 0 3 272.433 3.101 20 30 CGEDHN CCC[C@H](C)CC[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001257485487 807180603 /nfs/dbraw/zinc/18/06/03/807180603.db2.gz MWODQJJWVZMBQD-LSDHHAIUSA-N 0 3 294.439 3.370 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001167377779 807189011 /nfs/dbraw/zinc/18/90/11/807189011.db2.gz WJYNZSAVBKBSMY-OCCSQVGLSA-N 0 3 298.858 3.051 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(CCC#N)CC1 ZINC001258048262 807275147 /nfs/dbraw/zinc/27/51/47/807275147.db2.gz RXTJQXGKHKOWTE-INIZCTEOSA-N 0 3 265.445 3.267 20 30 CGEDHN CCCCCCCCC[C@H](C)N1CCN(C(N)=O)CC1 ZINC001258227695 807377284 /nfs/dbraw/zinc/37/72/84/807377284.db2.gz AIKGCEKSQPTEHN-HNNXBMFYSA-N 0 3 283.460 3.212 20 30 CGEDHN CCCN(CCC#N)C1CCN(c2cccc(F)c2)CC1 ZINC001258424002 807446020 /nfs/dbraw/zinc/44/60/20/807446020.db2.gz SGDGIJOFNNEFBD-UHFFFAOYSA-N 0 3 289.398 3.420 20 30 CGEDHN C[C@@H]1C[C@@H](NC(=N)c2ccc(F)cn2)CC(C)(C)C1 ZINC001258687425 807543409 /nfs/dbraw/zinc/54/34/09/807543409.db2.gz JQQOJCPJTCAONI-ZYHUDNBSSA-N 0 3 263.360 3.141 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001258733711 807579363 /nfs/dbraw/zinc/57/93/63/807579363.db2.gz MDORXFYZUIOKQO-ILXRZTDVSA-N 0 3 294.439 3.425 20 30 CGEDHN C=CCC[C@H](C)N1CCc2cccc(C(=O)OC)c2C1 ZINC001258732821 807579714 /nfs/dbraw/zinc/57/97/14/807579714.db2.gz CENYMVUKVOTFQK-ZDUSSCGKSA-N 0 3 273.376 3.186 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(Cc2c(F)cccc2F)CC1 ZINC001258734015 807580744 /nfs/dbraw/zinc/58/07/44/807580744.db2.gz QDMZOYBCZIJCMV-CQSZACIVSA-N 0 3 294.389 3.437 20 30 CGEDHN Cc1c2[nH]cnc2ccc1NCc1ccc(C#N)c(F)c1 ZINC001170094141 807756850 /nfs/dbraw/zinc/75/68/50/807756850.db2.gz IRWYWOSYOMVRQM-UHFFFAOYSA-N 0 3 280.306 3.494 20 30 CGEDHN CC#CCN1CCCN(c2cccc(Cl)c2C)CC1 ZINC001170244324 807800561 /nfs/dbraw/zinc/80/05/61/807800561.db2.gz LPNRKEWZLFPNFD-UHFFFAOYSA-N 0 3 276.811 3.184 20 30 CGEDHN COC(=O)c1ccc(C(=N)Nc2cc(C)c(C)c(C)c2)cc1 ZINC001170984789 807952361 /nfs/dbraw/zinc/95/23/61/807952361.db2.gz GQAUZEGGDHLFBO-UHFFFAOYSA-N 0 3 296.370 3.435 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CC(CC)CC ZINC001264186224 808045837 /nfs/dbraw/zinc/04/58/37/808045837.db2.gz USNIBXLBQMFRMT-INIZCTEOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC001264454538 808073342 /nfs/dbraw/zinc/07/33/42/808073342.db2.gz CAFIVRLQTVHOIO-CQUCYFNQSA-N 0 3 298.858 3.216 20 30 CGEDHN C#CCCCCCC(=O)N[C@@H]1CCCN(CC=C(C)C)C1 ZINC001265223182 808120654 /nfs/dbraw/zinc/12/06/54/808120654.db2.gz RRCXEWLDAAEZBZ-QGZVFWFLSA-N 0 3 290.451 3.117 20 30 CGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001265596598 808159981 /nfs/dbraw/zinc/15/99/81/808159981.db2.gz GQIRUUQKYNLOFJ-IRXDYDNUSA-N 0 3 292.467 3.054 20 30 CGEDHN CC#CCN(C)CCCNC(=O)c1ccc(C2CCC2)cc1 ZINC001265857592 808188867 /nfs/dbraw/zinc/18/88/67/808188867.db2.gz GKQHNYYNTFJVKL-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCCC1(C)C ZINC001266170187 808221464 /nfs/dbraw/zinc/22/14/64/808221464.db2.gz OGQNLJCKJUGZIF-CHWSQXEVSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)CCCCC(C)(C)C ZINC001266278741 808237101 /nfs/dbraw/zinc/23/71/01/808237101.db2.gz QNPOEJUPERUVRL-UHFFFAOYSA-N 0 3 268.445 3.217 20 30 CGEDHN CCCCCCC[C@H](CC)n1cc(CN)cnc1=N ZINC001172349761 808246673 /nfs/dbraw/zinc/24/66/73/808246673.db2.gz FYRMBQWSCMFOPL-AWEZNQCLSA-N 0 3 264.417 3.133 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CC[C@H](S(C)(=O)=O)C1 ZINC001172356564 808252362 /nfs/dbraw/zinc/25/23/62/808252362.db2.gz WZSFTIZTZFKGQG-CABCVRRESA-N 0 3 289.485 3.244 20 30 CGEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001266569572 808289122 /nfs/dbraw/zinc/28/91/22/808289122.db2.gz CDUQAVUCEAIMHE-QAPCUYQASA-N 0 3 298.430 3.028 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001266723520 808308406 /nfs/dbraw/zinc/30/84/06/808308406.db2.gz JDOVIPPEYCHOCB-FPMFFAJLSA-N 0 3 286.847 3.048 20 30 CGEDHN CC(C)COCC[C@H](C)NCC1(C#N)CCCC1 ZINC001172455803 808325714 /nfs/dbraw/zinc/32/57/14/808325714.db2.gz VLUSPNOSCONTBI-AWEZNQCLSA-N 0 3 252.402 3.111 20 30 CGEDHN CC(C)COCC[C@H](C)NC1(CC#N)CCCC1 ZINC001172469879 808336769 /nfs/dbraw/zinc/33/67/69/808336769.db2.gz VTMFVUYTPBWQIA-AWEZNQCLSA-N 0 3 252.402 3.254 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001267020456 808348259 /nfs/dbraw/zinc/34/82/59/808348259.db2.gz CXDHNSBRZIFTMF-AWEZNQCLSA-N 0 3 292.448 3.041 20 30 CGEDHN CCCCCCCC[C@@H](CC)n1[n-]c(=O)nc1C[NH3+] ZINC001172503575 808359241 /nfs/dbraw/zinc/35/92/41/808359241.db2.gz RZHYZYSVOZIUCG-GFCCVEGCSA-N 0 3 268.405 3.144 20 30 CGEDHN CCCCCCCC[C@@H](CC)n1[nH]c(=O)nc1CN ZINC001172503575 808359250 /nfs/dbraw/zinc/35/92/50/808359250.db2.gz RZHYZYSVOZIUCG-GFCCVEGCSA-N 0 3 268.405 3.144 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(c2nc3ccccc3o2)CC1 ZINC001172507035 808362726 /nfs/dbraw/zinc/36/27/26/808362726.db2.gz NZGOGFZHUIBAFY-AWEZNQCLSA-N 0 3 298.390 3.032 20 30 CGEDHN C[C@@H](CCCC#N)N1CC2(CCN2Cc2ccccc2)C1 ZINC001172507520 808364571 /nfs/dbraw/zinc/36/45/71/808364571.db2.gz VQUSFRRWKRBMKR-INIZCTEOSA-N 0 3 283.419 3.029 20 30 CGEDHN C=CCCC(=O)NCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001267188086 808377263 /nfs/dbraw/zinc/37/72/63/808377263.db2.gz DHMXLANATFWLTP-CYBMUJFWSA-N 0 3 294.826 3.415 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccc(C)cc1 ZINC001267210881 808381796 /nfs/dbraw/zinc/38/17/96/808381796.db2.gz PIKIIANBDHNXLK-UHFFFAOYSA-N 0 3 288.435 3.145 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC001267350610 808420320 /nfs/dbraw/zinc/42/03/20/808420320.db2.gz GIVSTPFLBJDUBF-WMZOPIPTSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001267772062 808489214 /nfs/dbraw/zinc/48/92/14/808489214.db2.gz SDVOWJYVUYTPAE-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN CCCCCCCC(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001269074437 808645535 /nfs/dbraw/zinc/64/55/35/808645535.db2.gz BNWJZQSACAJGEA-UHFFFAOYSA-N 0 3 292.467 3.434 20 30 CGEDHN CC1(C#N)CCC(NCc2nnc(-c3ccccc3)o2)CC1 ZINC001173584709 808645869 /nfs/dbraw/zinc/64/58/69/808645869.db2.gz HSUFNOKMRCTCEA-UHFFFAOYSA-N 0 3 296.374 3.299 20 30 CGEDHN Cc1ccc(C(=O)CNC2CCC(C)(C#N)CC2)cc1 ZINC001173589273 808647739 /nfs/dbraw/zinc/64/77/39/808647739.db2.gz ZKYVNPPOOAPWFI-UHFFFAOYSA-N 0 3 270.376 3.240 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001269134626 808650413 /nfs/dbraw/zinc/65/04/13/808650413.db2.gz PQNSPWFRNCWQRG-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCCCCN1CCCC[C@]12CC(=O)N(CC(=C)C)C2 ZINC001273500948 808850118 /nfs/dbraw/zinc/85/01/18/808850118.db2.gz OQYWNQHIRCRWKH-GOSISDBHSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](CC)CCCC ZINC001275086545 808906179 /nfs/dbraw/zinc/90/61/79/808906179.db2.gz DCDRYRIYPIRARA-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001275945978 808979130 /nfs/dbraw/zinc/97/91/30/808979130.db2.gz QCXWZZKCKUEYOV-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001276833825 809035758 /nfs/dbraw/zinc/03/57/58/809035758.db2.gz GOZHEINWIOXJSP-UKRRQHHQSA-N 0 3 294.414 3.329 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001276940025 809047633 /nfs/dbraw/zinc/04/76/33/809047633.db2.gz JEOZXNVHZFEFHU-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCC[C@@H](F)C1)C(C)C ZINC001278908859 809155832 /nfs/dbraw/zinc/15/58/32/809155832.db2.gz YWWXGFHMNBXURI-JKSUJKDBSA-N 0 3 298.446 3.260 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001279669253 809177654 /nfs/dbraw/zinc/17/76/54/809177654.db2.gz WJYLFBIBQNZQTI-MRXNPFEDSA-N 0 3 292.467 3.383 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001281566142 809214596 /nfs/dbraw/zinc/21/45/96/809214596.db2.gz DTOBWKSZRPECBC-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCC(=O)NC[C@H]1c2ccccc2CCN1CCC ZINC001281775694 809221226 /nfs/dbraw/zinc/22/12/26/809221226.db2.gz DFBQLUUBXAHTBQ-KRWDZBQOSA-N 0 3 286.419 3.078 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C[C@@H](CC)C(C)C)C(C)(C)C1 ZINC001282833144 809264753 /nfs/dbraw/zinc/26/47/53/809264753.db2.gz NDQBYEYTCKRIBR-CVEARBPZSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)C(C)C ZINC001284537296 809308626 /nfs/dbraw/zinc/30/86/26/809308626.db2.gz MOULXFVTKOCIDQ-QGZVFWFLSA-N 0 3 292.467 3.478 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C[C@@H]1CC=CCC1)C(C)C ZINC001284544923 809310322 /nfs/dbraw/zinc/31/03/22/809310322.db2.gz LFRMQRZVNMGWRA-QGZVFWFLSA-N 0 3 292.467 3.478 20 30 CGEDHN CN1CCC=C(Nc2cccc(C(C)(C)C#N)c2)C1 ZINC001175580198 809460524 /nfs/dbraw/zinc/46/05/24/809460524.db2.gz WCYRQWNLFNUWNC-UHFFFAOYSA-N 0 3 255.365 3.119 20 30 CGEDHN C#C[C@H]1CCCCN1C[C@H]1CC2(CO1)CCCCC2 ZINC001176832825 809764368 /nfs/dbraw/zinc/76/43/68/809764368.db2.gz JXVSGXVVWBBVDV-JKSUJKDBSA-N 0 3 261.409 3.214 20 30 CGEDHN C#CCN[C@@H]1CCN(C(=O)CCCCCCCCCC)C1 ZINC001187334841 810394687 /nfs/dbraw/zinc/39/46/87/810394687.db2.gz STODCWVWOOVIJB-QGZVFWFLSA-N 0 3 292.467 3.341 20 30 CGEDHN C#CCN(C/C=C(/C)COC)[C@@H]1CCc2ccccc21 ZINC001190530032 810632907 /nfs/dbraw/zinc/63/29/07/810632907.db2.gz YXERUTSWSIXZGK-VHUCWBOISA-N 0 3 269.388 3.202 20 30 CGEDHN CCCCCCCCNC(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001191068502 810669754 /nfs/dbraw/zinc/66/97/54/810669754.db2.gz PKFADZOUKMJNDV-HOTGVXAUSA-N 0 3 295.471 3.083 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001192887103 810827079 /nfs/dbraw/zinc/82/70/79/810827079.db2.gz AKJVHFIBFGKBEI-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@H](N(C)CC=C)C1)c1ccccc1 ZINC001194174866 811027842 /nfs/dbraw/zinc/02/78/42/811027842.db2.gz ZGXXUKPKBSHJQU-ROUUACIJSA-N 0 3 298.430 3.065 20 30 CGEDHN CCCCCCCCOC(=O)N(C)[C@@H]1CCN(C)C1 ZINC001194740394 811121064 /nfs/dbraw/zinc/12/10/64/811121064.db2.gz JTLPIVSAZPOURJ-CQSZACIVSA-N 0 3 270.417 3.119 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2ccc(Cl)o2)CC1 ZINC001194843600 811152888 /nfs/dbraw/zinc/15/28/88/811152888.db2.gz LVIBGYNJPPKAFA-UHFFFAOYSA-N 0 3 296.798 3.047 20 30 CGEDHN C#CCCCC(=O)N1CCCN([C@H](C)c2ccccc2)CC1 ZINC001195644881 811274503 /nfs/dbraw/zinc/27/45/03/811274503.db2.gz BQYAUOADSFUCCQ-QGZVFWFLSA-N 0 3 298.430 3.085 20 30 CGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC001196310968 811333719 /nfs/dbraw/zinc/33/37/19/811333719.db2.gz CALXQXFTVRCZRR-KBPBESRZSA-N 0 3 257.377 3.464 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196763379 811364189 /nfs/dbraw/zinc/36/41/89/811364189.db2.gz YHJLRLPUAKGQNA-HNNXBMFYSA-N 0 3 284.419 3.015 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(CCC)CCC2)CC1 ZINC001196852810 811374662 /nfs/dbraw/zinc/37/46/62/811374662.db2.gz DOJQNMAYFQJQRD-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN CCCCCCCCCCNC(=S)N[C@H]1CCN(C)C1 ZINC001200217782 811646008 /nfs/dbraw/zinc/64/60/08/811646008.db2.gz VIBFLZNNZVIVII-HNNXBMFYSA-N 0 3 299.528 3.295 20 30 CGEDHN CCCCCCCCCCN(C)CC(=O)N(C)C ZINC001201874691 811973839 /nfs/dbraw/zinc/97/38/39/811973839.db2.gz CQPDHEWWBBYRKE-UHFFFAOYSA-N 0 3 256.434 3.147 20 30 CGEDHN N#CC1(c2ccccc2)CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203547761 812389139 /nfs/dbraw/zinc/38/91/39/812389139.db2.gz WWUVUANZMQMIRU-UHFFFAOYSA-N 0 3 292.382 3.450 20 30 CGEDHN CN(CCCC(=O)c1cccnc1)Cc1cccc(C#N)c1 ZINC001203762395 812458632 /nfs/dbraw/zinc/45/86/32/812458632.db2.gz GDFCPWQERMMRFB-UHFFFAOYSA-N 0 3 293.370 3.048 20 30 CGEDHN COc1ccc(CN2CCC[C@@H](C#N)CC2)cc1C ZINC001203899553 812485937 /nfs/dbraw/zinc/48/59/37/812485937.db2.gz MWKZIWQUNJOFSO-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN CCOc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001203968589 812504267 /nfs/dbraw/zinc/50/42/67/812504267.db2.gz KPRMLJTZGXZYMU-PHZGNYQRSA-N 0 3 270.376 3.352 20 30 CGEDHN N#CC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204319972 812611014 /nfs/dbraw/zinc/61/10/14/812611014.db2.gz JQVHKDQJXZKMOM-UHFFFAOYSA-N 0 3 269.392 3.022 20 30 CGEDHN C=CCCCCCN(C)Cc1c2c(nn1C)CCCC2 ZINC001204767736 812729947 /nfs/dbraw/zinc/72/99/47/812729947.db2.gz CRRWVNJRXCPYRG-UHFFFAOYSA-N 0 3 275.440 3.477 20 30 CGEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@H]1Cc2ccccc2O1 ZINC001205514165 812993157 /nfs/dbraw/zinc/99/31/57/812993157.db2.gz XVSXAGLLDZVHEP-MRXNPFEDSA-N 0 3 296.345 3.133 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCC[C@@H](C)CCC)C1 ZINC001207127169 813492333 /nfs/dbraw/zinc/49/23/33/813492333.db2.gz PYPSGFMJKXOSDS-ARFHVFGLSA-N 0 3 280.456 3.215 20 30 CGEDHN N#CCC1CN(C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207178520 813506878 /nfs/dbraw/zinc/50/68/78/813506878.db2.gz VNDNYUGUHUMCTC-HIFRSBDPSA-N 0 3 260.768 3.289 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001208036765 813686895 /nfs/dbraw/zinc/68/68/95/813686895.db2.gz YRLJTUGGQYBECQ-OWCLPIDISA-N 0 3 280.456 3.215 20 30 CGEDHN CS[C@@H](C)CCN1CCc2ccc(C#N)cc2C1 ZINC001208137683 813704867 /nfs/dbraw/zinc/70/48/67/813704867.db2.gz GMYSRRIMJLTAGA-LBPRGKRZSA-N 0 3 260.406 3.058 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001208170965 813723678 /nfs/dbraw/zinc/72/36/78/813723678.db2.gz OKJJONGKKGYAFT-KGLIPLIRSA-N 0 3 289.341 3.288 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@H](Oc3cnccn3)C2)CC1 ZINC001208179420 813731112 /nfs/dbraw/zinc/73/11/12/813731112.db2.gz YYTNELLLSVVEDD-SJORKVTESA-N 0 3 299.418 3.232 20 30 CGEDHN CN(CCC(=O)c1cccs1)CCc1ccc(C#N)cc1 ZINC001208929161 813903517 /nfs/dbraw/zinc/90/35/17/813903517.db2.gz NAWQOELOPQAXDH-UHFFFAOYSA-N 0 3 298.411 3.367 20 30 CGEDHN C=CCCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001209202906 813966575 /nfs/dbraw/zinc/96/65/75/813966575.db2.gz RMDNSNICDCNLCH-UHFFFAOYSA-N 0 3 269.392 3.037 20 30 CGEDHN CCCCN(CCC#N)CC1Cc2ccccc2C1 ZINC001209320852 813998626 /nfs/dbraw/zinc/99/86/26/813998626.db2.gz NXRZZZNTVSWLDG-UHFFFAOYSA-N 0 3 256.393 3.417 20 30 CGEDHN C=CCCCCCN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001209424132 814026698 /nfs/dbraw/zinc/02/66/98/814026698.db2.gz LMSLVELFVPNVPQ-RCCFBDPRSA-N 0 3 293.451 3.391 20 30 CGEDHN C[C@H]1C[C@@H]1CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209429435 814029517 /nfs/dbraw/zinc/02/95/17/814029517.db2.gz XBIFSJCZVDRNKU-UONOGXRCSA-N 0 3 272.367 3.339 20 30 CGEDHN C=CCCCCCCN1Cc2ccnn2C[C@H](COC)C1 ZINC001209437830 814036837 /nfs/dbraw/zinc/03/68/37/814036837.db2.gz VZDGIMGKPAMQNQ-MRXNPFEDSA-N 0 3 291.439 3.098 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692786 814113377 /nfs/dbraw/zinc/11/33/77/814113377.db2.gz WLVKCFBXEKHWIB-GFCCVEGCSA-N 0 3 271.339 3.433 20 30 CGEDHN C=CC1(CC(=O)N2CCC[C@@H](NCCF)C2)CCCCC1 ZINC001210107778 814292661 /nfs/dbraw/zinc/29/26/61/814292661.db2.gz RGRPHEKNFRVCLH-OAHLLOKOSA-N 0 3 296.430 3.063 20 30 CGEDHN F[C@H]1CNCC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217793866 815964905 /nfs/dbraw/zinc/96/49/05/815964905.db2.gz HGVMLOLRNJNZQV-BQKUQICYSA-N 0 3 298.361 3.482 20 30 CGEDHN C=CCCCCCCCCO[C@@H]1CNC[C@@H]1C#N ZINC001217834632 815974162 /nfs/dbraw/zinc/97/41/62/815974162.db2.gz YRVNVSHGXQUZLB-LSDHHAIUSA-N 0 3 250.386 3.031 20 30 CGEDHN Cc1ccc(C#N)c(O[C@@H]2CNCc3ccccc32)c1 ZINC001218487771 816242236 /nfs/dbraw/zinc/24/22/36/816242236.db2.gz WKJWVELKCGOFSN-QGZVFWFLSA-N 0 3 264.328 3.090 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@H]1C ZINC001219673691 816274896 /nfs/dbraw/zinc/27/48/96/816274896.db2.gz MODPGGSWGJOPGZ-OAGGEKHMSA-N 0 3 280.456 3.393 20 30 CGEDHN C=CC[C@@H](NC(=O)[C@@H](N)C1CCCCC1)c1ccccc1 ZINC001221361535 816311846 /nfs/dbraw/zinc/31/18/46/816311846.db2.gz WEFGAIUOWNPECP-SJORKVTESA-N 0 3 286.419 3.328 20 30 CGEDHN C=C(C)CCCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224279168 816765496 /nfs/dbraw/zinc/76/54/96/816765496.db2.gz QIJDCIIJFUBIEN-WKILWMFISA-N 0 3 267.413 3.003 20 30 CGEDHN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001225247750 816978468 /nfs/dbraw/zinc/97/84/68/816978468.db2.gz VFEDUGSDYQZRQN-RHSMWYFYSA-N 0 3 293.370 3.168 20 30 CGEDHN CC(=O)c1cc(C#N)ccc1O[C@@H]1CCCN(C(C)C)C1 ZINC001226974177 817521613 /nfs/dbraw/zinc/52/16/13/817521613.db2.gz CBHVNDVIDOXFNM-OAHLLOKOSA-N 0 3 286.375 3.012 20 30 CGEDHN C#Cc1cccc(CN2CCC(Oc3ccccn3)CC2)c1 ZINC001231659881 818152237 /nfs/dbraw/zinc/15/22/37/818152237.db2.gz VUJXGTGLMIFCDK-UHFFFAOYSA-N 0 3 292.382 3.106 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](Oc3ncccc3C)C2)c1 ZINC001231662650 818153696 /nfs/dbraw/zinc/15/36/96/818153696.db2.gz FFQXMFRHPQXBAS-SFHVURJKSA-N 0 3 292.382 3.025 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@H](Oc3ccncc3)C2)c1 ZINC001231662206 818154004 /nfs/dbraw/zinc/15/40/04/818154004.db2.gz BVIMGYVCMOLODF-IBGZPJMESA-N 0 3 292.382 3.106 20 30 CGEDHN CCCCN1CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232120655 818259707 /nfs/dbraw/zinc/25/97/07/818259707.db2.gz WHENZVZRXYXCMS-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN CC1(C)[C@@H]2CN(Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001232115554 818260690 /nfs/dbraw/zinc/26/06/90/818260690.db2.gz ULYDTMVHMCPOKK-BETUJISGSA-N 0 3 260.768 3.299 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc3ncsc32)C1 ZINC001232732417 818426104 /nfs/dbraw/zinc/42/61/04/818426104.db2.gz HGPJQRGNONDUIJ-LBPRGKRZSA-N 0 3 271.389 3.422 20 30 CGEDHN CC1(C#N)CCN(Cc2cccc3ncsc32)CC1 ZINC001232735067 818427576 /nfs/dbraw/zinc/42/75/76/818427576.db2.gz FIMBTMHISSSAJJ-UHFFFAOYSA-N 0 3 271.389 3.422 20 30 CGEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)c(F)cc1F ZINC001232784058 818439142 /nfs/dbraw/zinc/43/91/42/818439142.db2.gz GSUPACMLUUWGPJ-CQSZACIVSA-N 0 3 295.354 3.047 20 30 CGEDHN CN(CCc1ccccc1Cl)Cc1cccc(C#N)n1 ZINC001232924671 818474309 /nfs/dbraw/zinc/47/43/09/818474309.db2.gz SCFIZHHSQSROLG-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN Cc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)c(C#N)c1 ZINC001232963622 818483859 /nfs/dbraw/zinc/48/38/59/818483859.db2.gz KNNGJYQKPXQNPP-GJZGRUSLSA-N 0 3 254.377 3.489 20 30 CGEDHN C/C=C(/C)C(=O)N(C)C[C@H]1CCN1CCCCCCC ZINC001233568920 818644553 /nfs/dbraw/zinc/64/45/53/818644553.db2.gz HIYHOVZRRHSSNF-OBHDYHNASA-N 0 3 280.456 3.456 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233673616 818675547 /nfs/dbraw/zinc/67/55/47/818675547.db2.gz GZFVGSJDZJSJTQ-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CCCCCC=C ZINC001233948193 818737518 /nfs/dbraw/zinc/73/75/18/818737518.db2.gz RXCBSQFEWQYQMY-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN N#CCc1ccccc1CN1CCC(C(F)F)CC1 ZINC001235527017 819116431 /nfs/dbraw/zinc/11/64/31/819116431.db2.gz FWFKENXPNGSXKO-UHFFFAOYSA-N 0 3 264.319 3.230 20 30 CGEDHN C=CCCCCN(C)Cc1cnc(OCC)c(F)c1 ZINC001236693277 819574750 /nfs/dbraw/zinc/57/47/50/819574750.db2.gz CYZJHOAEROJGCK-UHFFFAOYSA-N 0 3 266.360 3.408 20 30 CGEDHN C#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833151 819611331 /nfs/dbraw/zinc/61/13/31/819611331.db2.gz ORVWDORCOUQMOD-CQSZACIVSA-N 0 3 265.356 3.391 20 30 CGEDHN C#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833151 819611333 /nfs/dbraw/zinc/61/13/33/819611333.db2.gz ORVWDORCOUQMOD-CQSZACIVSA-N 0 3 265.356 3.391 20 30 CGEDHN COc1cccc2c(CN3CCC[C@H](C#N)CC3)ccnc12 ZINC001237117729 819671748 /nfs/dbraw/zinc/67/17/48/819671748.db2.gz UNVYTDSWUGUFGV-AWEZNQCLSA-N 0 3 295.386 3.369 20 30 CGEDHN CC(C)N(Cc1cc(C#N)c(F)cc1F)CC1CC1 ZINC001237526475 819772525 /nfs/dbraw/zinc/77/25/25/819772525.db2.gz PLQOCNDGIKPZAD-UHFFFAOYSA-N 0 3 264.319 3.457 20 30 CGEDHN C[C@@]1(CO)CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237745133 819833099 /nfs/dbraw/zinc/83/30/99/819833099.db2.gz CFTWKACBFTVEMG-MRXNPFEDSA-N 0 3 292.810 3.196 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN3CC[C@](C)(C#N)C3)cc21 ZINC001237890116 819871770 /nfs/dbraw/zinc/87/17/70/819871770.db2.gz RFBICYKLPIISQP-LJQANCHMSA-N 0 3 295.430 3.423 20 30 CGEDHN C#CCN(C)Cc1c[nH]c2cc(F)c(Br)cc12 ZINC001237935032 819887256 /nfs/dbraw/zinc/88/72/56/819887256.db2.gz UUIQAPLPNHMDRE-UHFFFAOYSA-N 0 3 295.155 3.135 20 30 CGEDHN CC(C)N1CCN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC001238089693 819929568 /nfs/dbraw/zinc/92/95/68/819929568.db2.gz XZBJVOJFBDPLPG-ZDUSSCGKSA-N 0 3 291.826 3.126 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001238205416 819956039 /nfs/dbraw/zinc/95/60/39/819956039.db2.gz DICBMKKLBNBBIQ-CQSZACIVSA-N 0 3 280.375 3.202 20 30 CGEDHN COc1cc(C)c(C)cc1CN1CCC(CC#N)CC1 ZINC001238764546 820111413 /nfs/dbraw/zinc/11/14/13/820111413.db2.gz UISSLTBIEOWLPV-UHFFFAOYSA-N 0 3 272.392 3.438 20 30 CGEDHN CCc1cc(CN2CCC[C@H](C#N)CC2)ccc1C#N ZINC001238777720 820116917 /nfs/dbraw/zinc/11/69/17/820116917.db2.gz HDUPOZMAAVUFOW-AWEZNQCLSA-N 0 3 267.376 3.246 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H](C)c1ccccn1 ZINC001340789378 936414288 /nfs/dbraw/zinc/41/42/88/936414288.db2.gz FWCGSBJIXYKJDC-HUUCEWRRSA-N 0 3 291.439 3.337 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001341485529 936439516 /nfs/dbraw/zinc/43/95/16/936439516.db2.gz ZMMCGGMMUXJDBB-UAGQMJEPSA-N 0 3 286.419 3.075 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)c1cc2c(s1)CCCCC2 ZINC001342274812 936464260 /nfs/dbraw/zinc/46/42/60/936464260.db2.gz AOFASAIULUMKAU-LBPRGKRZSA-N 0 3 299.399 3.241 20 30 CGEDHN N#CC(C(=O)CC1CCC1)c1nccn1Cc1ccccc1 ZINC001342924137 936483899 /nfs/dbraw/zinc/48/38/99/936483899.db2.gz JZKUAOFZFDICOT-INIZCTEOSA-N 0 3 293.370 3.298 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1ccccc1C ZINC001344322148 936529577 /nfs/dbraw/zinc/52/95/77/936529577.db2.gz IUHRQGYPIARGGQ-GOEBONIOSA-N 0 3 295.386 3.267 20 30 CGEDHN N#CC(C(=O)CC1(C#N)CC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369252 936531796 /nfs/dbraw/zinc/53/17/96/936531796.db2.gz VTAKUXWODIWILI-SECBINFHSA-N 0 3 298.733 3.086 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001344864085 936546596 /nfs/dbraw/zinc/54/65/96/936546596.db2.gz LWJTXTPECLXTDI-RRFJBIMHSA-N 0 3 297.333 3.022 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)CC(C)C ZINC001346097137 936837753 /nfs/dbraw/zinc/83/77/53/936837753.db2.gz YONPAIDBDNQWOJ-OLZOCXBDSA-N 0 3 261.369 3.152 20 30 CGEDHN CCCC(C)(C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346765290 936860988 /nfs/dbraw/zinc/86/09/88/936860988.db2.gz WDSCAIDKHNHCHB-JTQLQIEISA-N 0 3 266.291 3.362 20 30 CGEDHN Cc1cc(F)c(C#N)c(NC[C@@H]2CCN2C(C)(C)C)c1 ZINC001472829951 937112006 /nfs/dbraw/zinc/11/20/06/937112006.db2.gz GUBGSZQUINUHLB-LBPRGKRZSA-N 0 3 275.371 3.291 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1ccc(C)cc1)c1ccccc1 ZINC001481372968 926971006 /nfs/dbraw/zinc/97/10/06/926971006.db2.gz SSWCBMODTMHDHM-GOSISDBHSA-N 0 3 294.398 3.242 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001481676107 927056327 /nfs/dbraw/zinc/05/63/27/927056327.db2.gz MRDDFYMLWAFNDB-GJZGRUSLSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001481750410 927077566 /nfs/dbraw/zinc/07/75/66/927077566.db2.gz MALLPBVWEZIHIC-KRWDZBQOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)CC1CCCCCC1 ZINC001482631278 927332381 /nfs/dbraw/zinc/33/23/81/927332381.db2.gz PYASSJJJYQAXKD-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001483709429 927582775 /nfs/dbraw/zinc/58/27/75/927582775.db2.gz XRIBUSOZTXVSBG-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@@]1(C)CCN(CC=C(C)C)C1 ZINC001484055742 927669947 /nfs/dbraw/zinc/66/99/47/927669947.db2.gz CXBBYQGVXKEJBH-WBVHZDCISA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001484512902 927714957 /nfs/dbraw/zinc/71/49/57/927714957.db2.gz YXKKZPRLHZMBSC-TZMCWYRMSA-N 0 3 286.847 3.003 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001484556028 927722374 /nfs/dbraw/zinc/72/23/74/927722374.db2.gz HPYZKBKPNOMHQO-IEBWSBKVSA-N 0 3 298.430 3.111 20 30 CGEDHN C=CCCCCCN(C)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC001474370586 937204095 /nfs/dbraw/zinc/20/40/95/937204095.db2.gz XKUXZQKRAXGTSU-UHFFFAOYSA-N 0 3 278.396 3.288 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1CC2CCC1CC2)C(C)C ZINC001486380503 928015983 /nfs/dbraw/zinc/01/59/83/928015983.db2.gz JIALDPLSYPEOOH-JCYILVPMSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CC=C(CNC(=O)C2(CC)CCCCC2)CC1 ZINC001486520437 928028456 /nfs/dbraw/zinc/02/84/56/928028456.db2.gz CJXRFNZTXYOOGR-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC[C@](C)(F)C1 ZINC001171208872 928201679 /nfs/dbraw/zinc/20/16/79/928201679.db2.gz GKZHCJNLAHZUMH-BBRMVZONSA-N 0 3 260.356 3.313 20 30 CGEDHN C[C@H](CCCC#N)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001172485888 928222474 /nfs/dbraw/zinc/22/24/74/928222474.db2.gz VFCAFNZEFJOWGP-ZWNOBZJWSA-N 0 3 280.318 3.460 20 30 CGEDHN C[C@@]1(F)CCN(C2CCC(CC#N)CC2)C[C@H]1F ZINC001173330899 928228770 /nfs/dbraw/zinc/22/87/70/928228770.db2.gz HJTWEHGHICVAOY-NWINJMCUSA-N 0 3 256.340 3.231 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001488870695 928303613 /nfs/dbraw/zinc/30/36/13/928303613.db2.gz VRJRMHVZZLQKBG-MGPQQGTHSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)CC2CCCC2)[C@H]1C ZINC001489294037 928323915 /nfs/dbraw/zinc/32/39/15/928323915.db2.gz RTDFNJCZMKLMIM-PVAVHDDUSA-N 0 3 292.467 3.358 20 30 CGEDHN C=CCCCCCN1CCC[C@H](NC(=O)[C@H](C)SC)C1 ZINC001490428389 928361873 /nfs/dbraw/zinc/36/18/73/928361873.db2.gz VUORPFAFPKDTTQ-GJZGRUSLSA-N 0 3 298.496 3.065 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)C2CC(C)(C)C2)CC1 ZINC001490614726 928378753 /nfs/dbraw/zinc/37/87/53/928378753.db2.gz JZXQWKJNCUSGRB-UHFFFAOYSA-N 0 3 292.467 3.312 20 30 CGEDHN C#Cc1ccc(NC(=O)[C@H](CC)N(CC)CC)c(Cl)c1 ZINC000885673649 928441063 /nfs/dbraw/zinc/44/10/63/928441063.db2.gz TZXFYTINXRUYKZ-HNNXBMFYSA-N 0 3 292.810 3.380 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(OCC(C)C)cc1 ZINC001320582907 928493753 /nfs/dbraw/zinc/49/37/53/928493753.db2.gz AXACGFJEJHGQGT-OAHLLOKOSA-N 0 3 263.381 3.012 20 30 CGEDHN COc1ccc(CN[C@@H](C)c2ccsc2)cc1C#N ZINC000087824224 928686658 /nfs/dbraw/zinc/68/66/58/928686658.db2.gz AXVIFCAFMICDNE-NSHDSACASA-N 0 3 272.373 3.479 20 30 CGEDHN CC(C)(C)[C@@H]1CCCN(Cc2cc(C#N)ccn2)C1 ZINC001460018402 937510883 /nfs/dbraw/zinc/51/08/83/937510883.db2.gz CYNPBYNZZFUNPH-CQSZACIVSA-N 0 3 257.381 3.211 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ncccn2)CC1 ZINC001460804726 937545937 /nfs/dbraw/zinc/54/59/37/937545937.db2.gz KSBXYXMIGAKXDG-AWEZNQCLSA-N 0 3 292.386 3.289 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC001157177057 931979689 /nfs/dbraw/zinc/97/96/89/931979689.db2.gz JDNPXXIXQDODHN-OAHLLOKOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC001460826716 937547015 /nfs/dbraw/zinc/54/70/15/937547015.db2.gz OQCMYSNKAHBGMK-FZMZJTMJSA-N 0 3 295.810 3.253 20 30 CGEDHN C[C@H](CCC#N)N1CCO[C@@H](c2ccccc2)CC1 ZINC001460950748 937555558 /nfs/dbraw/zinc/55/55/58/937555558.db2.gz QVBXCFFPNLYZMZ-GDBMZVCRSA-N 0 3 258.365 3.142 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001230703747 932611487 /nfs/dbraw/zinc/61/14/87/932611487.db2.gz ZPWPAZPEWUKJSJ-DZGCQCFKSA-N 0 3 290.407 3.089 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C12CCC(CC1)CC2 ZINC001492128004 932805344 /nfs/dbraw/zinc/80/53/44/932805344.db2.gz WZBACRWDHIZXFT-HLIUYOAVSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1cccc(C)c1 ZINC001492370218 932814585 /nfs/dbraw/zinc/81/45/85/932814585.db2.gz QZWPNLVVINTTHQ-UHFFFAOYSA-N 0 3 288.435 3.145 20 30 CGEDHN C#Cc1ccc(NC(=O)[C@H](C(C)C)N2CCCCC2)cc1 ZINC001304802777 932856261 /nfs/dbraw/zinc/85/62/61/932856261.db2.gz SHNIWOCXELVFIQ-KRWDZBQOSA-N 0 3 284.403 3.117 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C2(CC=C)CCCC2)[C@H]1CC ZINC001316740912 932880826 /nfs/dbraw/zinc/88/08/26/932880826.db2.gz CILAFZHPPGVFFG-JKSUJKDBSA-N 0 3 290.451 3.278 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCC2)C12CCCC2 ZINC001462392828 937637907 /nfs/dbraw/zinc/63/79/07/937637907.db2.gz GKTWQSZTUVSHRJ-HUUCEWRRSA-N 0 3 276.424 3.398 20 30 CGEDHN COC[C@@H](CN(CCC#N)CC(C)(C)C)C(C)C ZINC001307485498 932960028 /nfs/dbraw/zinc/96/00/28/932960028.db2.gz INQZHJWMAPQBDH-CQSZACIVSA-N 0 3 254.418 3.167 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001307597627 932974870 /nfs/dbraw/zinc/97/48/70/932974870.db2.gz PFTHJJUTPOBKBO-HONMWMINSA-N 0 3 262.303 3.206 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001316933898 933496967 /nfs/dbraw/zinc/49/69/67/933496967.db2.gz QJMVDJXDOAWFCT-GJZGRUSLSA-N 0 3 294.483 3.414 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)CCCc1ccsc1 ZINC001467727241 937721564 /nfs/dbraw/zinc/72/15/64/937721564.db2.gz BMMMITCQUSPHAI-UHFFFAOYSA-N 0 3 294.464 3.037 20 30 CGEDHN Cc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)n[nH]1 ZINC001319688977 933914171 /nfs/dbraw/zinc/91/41/71/933914171.db2.gz OIBMZTUSGRKYIG-UHFFFAOYSA-N 0 3 282.391 3.248 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC(C)C)cc2)C1 ZINC001320376954 934039325 /nfs/dbraw/zinc/03/93/25/934039325.db2.gz IKZWMLMUQAGDSY-KRWDZBQOSA-N 0 3 275.392 3.251 20 30 CGEDHN C#CCN(C(=O)CCCC)C1CCN(CC=C(C)C)CC1 ZINC001324362347 934493296 /nfs/dbraw/zinc/49/32/96/934493296.db2.gz OBNGQJOLGUDJDO-UHFFFAOYSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001324655495 934541328 /nfs/dbraw/zinc/54/13/28/934541328.db2.gz FJMKCFKBKHTRFR-NVXWUHKLSA-N 0 3 280.456 3.215 20 30 CGEDHN Cc1cc(C#N)cc(SCCN(C)Cc2ccccc2)n1 ZINC001472771011 937783435 /nfs/dbraw/zinc/78/34/35/937783435.db2.gz LERMYYWXTOPMRU-UHFFFAOYSA-N 0 3 297.427 3.486 20 30 CGEDHN CO[C@@]1(C)C[C@@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001473482071 937808670 /nfs/dbraw/zinc/80/86/70/937808670.db2.gz CLNLVVWCNIQCMC-WBVHZDCISA-N 0 3 291.822 3.485 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)C(CCC)CCC)CC1 ZINC001327149370 935036717 /nfs/dbraw/zinc/03/67/17/935036717.db2.gz ZHCJIXGAFVYJAG-QGZVFWFLSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001330204845 935276820 /nfs/dbraw/zinc/27/68/20/935276820.db2.gz WTKWYCHSSNUYIE-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN CC(=NN[C@H]1CC(C)(C)OC1(C)C)c1ccc(N)cc1C ZINC001330911436 935334138 /nfs/dbraw/zinc/33/41/38/935334138.db2.gz RKXRJRBVPKJWHQ-HNNXBMFYSA-N 0 3 289.423 3.237 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)C(F)F)[C@@H]1C ZINC001332163430 935445443 /nfs/dbraw/zinc/44/54/43/935445443.db2.gz ZNYKESPUSGADBI-QWHCGFSZSA-N 0 3 290.398 3.191 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@H](NC/C=C/Cl)C(C)(C)C1 ZINC001332414512 935467657 /nfs/dbraw/zinc/46/76/57/935467657.db2.gz ZLWJPGIOERYHMG-NCRJZKAISA-N 0 3 298.858 3.168 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001333456961 935537175 /nfs/dbraw/zinc/53/71/75/935537175.db2.gz HCANICKTSUHVQR-GOSISDBHSA-N 0 3 288.435 3.057 20 30 CGEDHN C#CCN1CCC(Nc2nccc3c(C)cccc32)CC1 ZINC001336836835 936221180 /nfs/dbraw/zinc/22/11/80/936221180.db2.gz LKZTUHJGJOUGNH-UHFFFAOYSA-N 0 3 279.387 3.053 20 30 CGEDHN C=CCCCCCCNCc1cc(OC)cnc1F ZINC001474142408 937841691 /nfs/dbraw/zinc/84/16/91/937841691.db2.gz NWOJRMVPNAPRHL-UHFFFAOYSA-N 0 3 266.360 3.455 20 30 CGEDHN COc1ccccc1/C=C\CNCc1ccc(C#N)s1 ZINC001474185260 937843319 /nfs/dbraw/zinc/84/33/19/937843319.db2.gz PJLXAEAZNDTYRD-XQRVVYSFSA-N 0 3 284.384 3.431 20 30 CGEDHN C=C(C)C[C@@H](CO)NCc1ccc(C)cc1Br ZINC001474247187 937845507 /nfs/dbraw/zinc/84/55/07/937845507.db2.gz UMUDAYBCSILQMM-ZDUSSCGKSA-N 0 3 298.224 3.174 20 30 CGEDHN CCCCCCCCCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001479378604 937920413 /nfs/dbraw/zinc/92/04/13/937920413.db2.gz ZETLYVXYRMROPW-CVEARBPZSA-N 0 3 297.487 3.471 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)CCC2CCCC2)C1 ZINC001479753077 937925089 /nfs/dbraw/zinc/92/50/89/937925089.db2.gz UYCDEUWONXZCFT-UHFFFAOYSA-N 0 3 298.858 3.194 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001479914959 937929071 /nfs/dbraw/zinc/92/90/71/937929071.db2.gz BJGPFTBBRDNUKN-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(CC)CCNC(=O)c1ccc(CC(C)C)cc1 ZINC001493057208 937946577 /nfs/dbraw/zinc/94/65/77/937946577.db2.gz OFFCPWVWULDNEE-UHFFFAOYSA-N 0 3 288.435 3.123 20 30 CGEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@@H]2C(C)C)CCCC1 ZINC001495961340 937960698 /nfs/dbraw/zinc/96/06/98/937960698.db2.gz NQLFORXTCPXMML-ZIAGYGMSSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C1CC=CC1 ZINC001496392695 937962344 /nfs/dbraw/zinc/96/23/44/937962344.db2.gz XLTQIDRENFTPTG-HNNXBMFYSA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001499030270 937971956 /nfs/dbraw/zinc/97/19/56/937971956.db2.gz MJXYALUJRIKPKU-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001499123912 937972839 /nfs/dbraw/zinc/97/28/39/937972839.db2.gz FQFWFQUMPHHQPN-HUUCEWRRSA-N 0 3 280.456 3.358 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H](C)C2CC2)cc1 ZINC001501681341 937980182 /nfs/dbraw/zinc/98/01/82/937980182.db2.gz GYIPOMWAOCNUOD-GJZGRUSLSA-N 0 3 298.430 3.023 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001503200468 937984166 /nfs/dbraw/zinc/98/41/66/937984166.db2.gz TZWMNLOZXPGHDL-UONOGXRCSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(C)CCCCCC1 ZINC001505433697 937985515 /nfs/dbraw/zinc/98/55/15/937985515.db2.gz CQVPRTPKGSBFGX-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001505678406 937986552 /nfs/dbraw/zinc/98/65/52/937986552.db2.gz NQCWZBFBQBDVGA-WDEREUQCSA-N 0 3 293.238 3.145 20 30 CGEDHN C=CCN(C)CCN(C(=O)C1CC(C(C)(C)C)C1)C(C)C ZINC001507862530 937997089 /nfs/dbraw/zinc/99/70/89/937997089.db2.gz UTEDNAOQDPOMEL-UHFFFAOYSA-N 0 3 294.483 3.414 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)[C@H](C)C(C)C)c(F)c1 ZINC001508242976 937998871 /nfs/dbraw/zinc/99/88/71/937998871.db2.gz QOYSTXGOPATNKK-CYBMUJFWSA-N 0 3 292.398 3.010 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C(C)(C)Cc1ccccc1 ZINC001517064657 938011041 /nfs/dbraw/zinc/01/10/41/938011041.db2.gz MVFCDRVAWFIHEL-HNNXBMFYSA-N 0 3 295.386 3.348 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC001520028781 938022670 /nfs/dbraw/zinc/02/26/70/938022670.db2.gz IRZDGELQCHZARX-NSHDSACASA-N 0 3 293.798 3.466 20 30 CGEDHN C=C(CC(C)C)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC001520226221 938024088 /nfs/dbraw/zinc/02/40/88/938024088.db2.gz VAJCXDMLHVLQQS-UHFFFAOYSA-N 0 3 290.407 3.298 20 30 CGEDHN C=CCN(C(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001532545299 938087017 /nfs/dbraw/zinc/08/70/17/938087017.db2.gz MLHBBTYTQWNJSP-MRXNPFEDSA-N 0 3 272.392 3.078 20 30 CGEDHN C#CCCN(CCOC)CCSc1ccc(Cl)cc1 ZINC001560023946 938241899 /nfs/dbraw/zinc/24/18/99/938241899.db2.gz RVFAEZANEVHJRO-UHFFFAOYSA-N 0 3 297.851 3.404 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(OC)c(F)c2)c1 ZINC001560503397 938260622 /nfs/dbraw/zinc/26/06/22/938260622.db2.gz LSOGDEUYAMUKPM-UHFFFAOYSA-N 0 3 269.319 3.105 20 30 CGEDHN Cc1ccc(CNCc2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC001560515059 938261327 /nfs/dbraw/zinc/26/13/27/938261327.db2.gz JBGQOCYXLVBYQX-UHFFFAOYSA-N 0 3 295.342 3.259 20 30 CGEDHN C=CCC[C@@H](C)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001560751957 938273966 /nfs/dbraw/zinc/27/39/66/938273966.db2.gz VEQQQVDITPHURB-BXKDBHETSA-N 0 3 253.292 3.343 20 30 CGEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001561009515 938289128 /nfs/dbraw/zinc/28/91/28/938289128.db2.gz DFTVVESXPYOQCH-OBJOEFQTSA-N 0 3 258.340 3.223 20 30 CGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@](C)(CC)CCC)CC1 ZINC001486441499 957834220 /nfs/dbraw/zinc/83/42/20/957834220.db2.gz RMDBOWKPIIEHSP-QAPCUYQASA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001569498651 960446518 /nfs/dbraw/zinc/44/65/18/960446518.db2.gz PNYCENAEBHSKPQ-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@](C)(CC)CCC)CC1 ZINC001566613722 960566568 /nfs/dbraw/zinc/56/65/68/960566568.db2.gz ODZYGXYJRAXRRS-QGZVFWFLSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(CC)CC ZINC001565834308 960841289 /nfs/dbraw/zinc/84/12/89/960841289.db2.gz YLDPEFQJDZJZJR-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNC[C@@H](F)CC ZINC001566939951 961062512 /nfs/dbraw/zinc/06/25/12/961062512.db2.gz SBQFZDHZFDTFKD-LSDHHAIUSA-N 0 3 298.446 3.308 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001567201827 961143865 /nfs/dbraw/zinc/14/38/65/961143865.db2.gz JAUBXNXHRZNILE-CVEARBPZSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCC(=O)NCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001567274028 961266146 /nfs/dbraw/zinc/26/61/46/961266146.db2.gz RGCONOBTKHPADC-ZDUSSCGKSA-N 0 3 294.826 3.415 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001567379097 961315241 /nfs/dbraw/zinc/31/52/41/961315241.db2.gz NZMMTNLTTCHXBO-DZGCQCFKSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCN[C@@H](CNC(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC001567656719 961386865 /nfs/dbraw/zinc/38/68/65/961386865.db2.gz SJIAZAPBKZUBDL-JNSOCZORSA-N 0 3 286.419 3.222 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CCCCC ZINC001567866100 961444078 /nfs/dbraw/zinc/44/40/78/961444078.db2.gz GXXGBYRGCRMNLE-ULQDDVLXSA-N 0 3 292.467 3.454 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C=C2CCCCC2)C1 ZINC001567932307 961468265 /nfs/dbraw/zinc/46/82/65/961468265.db2.gz OHLAAEZEYMYIQD-KRWDZBQOSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)[C@H](C)CC)CC2 ZINC001568253022 961527060 /nfs/dbraw/zinc/52/70/60/961527060.db2.gz VSKRAMIACFRIHQ-CVEARBPZSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(C)CCC(=O)N(CC)CCNCc1ccc(F)cc1 ZINC001568745973 961635077 /nfs/dbraw/zinc/63/50/77/961635077.db2.gz LZNMESIOESNFCU-UHFFFAOYSA-N 0 3 292.398 3.120 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(CC(C)C)s1 ZINC001569121236 961699729 /nfs/dbraw/zinc/69/97/29/961699729.db2.gz CXOHKWJVUABRJR-ZDUSSCGKSA-N 0 3 294.464 3.183 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)CC1(C)CCCC1 ZINC001569355453 961739431 /nfs/dbraw/zinc/73/94/31/961739431.db2.gz KHQWCWMBPVQEML-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001569347298 961741739 /nfs/dbraw/zinc/74/17/39/961741739.db2.gz YUXCGXPHKZFNNG-NWDGAFQWSA-N 0 3 296.798 3.092 20 30 CGEDHN CC#CCNC1(CNC(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001569420143 961764009 /nfs/dbraw/zinc/76/40/09/961764009.db2.gz WPPNDODBPWYHOX-MRXNPFEDSA-N 0 3 290.451 3.021 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCC2CCCC2)C1 ZINC001569628918 961815152 /nfs/dbraw/zinc/81/51/52/961815152.db2.gz XWBUAXHYSOAFHP-KRWDZBQOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC ZINC001570519034 961989807 /nfs/dbraw/zinc/98/98/07/961989807.db2.gz YRTYZKXANUZSTE-SJLPKXTDSA-N 0 3 286.419 3.125 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001571173378 962120941 /nfs/dbraw/zinc/12/09/41/962120941.db2.gz LZFRAPMCIYERDD-MRVWCRGKSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)CC(C)(C)C ZINC001571226002 962128493 /nfs/dbraw/zinc/12/84/93/962128493.db2.gz GAVRZFJYPNZDMQ-LBPRGKRZSA-N 0 3 274.836 3.050 20 30 CGEDHN C#CCCN(C)CCN(C(=O)C[C@H]1CC[C@H](C)C1)C(C)C ZINC001571614017 962189518 /nfs/dbraw/zinc/18/95/18/962189518.db2.gz RJRIUNNZHZXJAH-IRXDYDNUSA-N 0 3 292.467 3.005 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1OCC ZINC001574908606 962327275 /nfs/dbraw/zinc/32/72/75/962327275.db2.gz UHCMAGBIMSXQHI-GFCCVEGCSA-N 0 3 296.798 3.361 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCCCCC(C)(C)C ZINC001574908219 962332534 /nfs/dbraw/zinc/33/25/34/962332534.db2.gz IGEYFFLPFHHIRE-CYBMUJFWSA-N 0 3 254.418 3.003 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2csc(N(C)C)n2)C1 ZINC000651729038 398277436 /nfs/dbraw/zinc/27/74/36/398277436.db2.gz TZZATCXXQOEFTE-NWDGAFQWSA-N 0 3 265.426 3.044 20 30 CGEDHN C[C@H](N[C@H](CO)CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000338015411 214362537 /nfs/dbraw/zinc/36/25/37/214362537.db2.gz SJXQHTSNUJZHDT-LRDDRELGSA-N 0 3 290.382 3.289 20 30 CGEDHN C=CCOc1cccc(CN(CC)[C@@H]2CCCOC2)c1 ZINC000651947610 398310337 /nfs/dbraw/zinc/31/03/37/398310337.db2.gz OLUNJOUTWSJTDN-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN N#CCCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000573371599 334932315 /nfs/dbraw/zinc/93/23/15/334932315.db2.gz WXMWSXZVOYQAOC-UHFFFAOYSA-N 0 3 269.348 3.344 20 30 CGEDHN CC[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000449238613 529447017 /nfs/dbraw/zinc/44/70/17/529447017.db2.gz GZFAPZDEHCKFSX-IACUBPJLSA-N 0 3 276.355 3.306 20 30 CGEDHN CC[C@@H](CC(F)(F)F)NCc1ccc(C#N)c(OC)c1 ZINC000440619306 529459315 /nfs/dbraw/zinc/45/93/15/529459315.db2.gz FWKMMKIBJAHOLD-LBPRGKRZSA-N 0 3 286.297 3.387 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C2CCC2)C1 ZINC000591063390 346898420 /nfs/dbraw/zinc/89/84/20/346898420.db2.gz UKOBZVLHTXCXDQ-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000591255933 346912199 /nfs/dbraw/zinc/91/21/99/346912199.db2.gz IPLMNOXVIVUDBC-OUJBWJOFSA-N 0 3 250.292 3.253 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)s1 ZINC000347102787 529656993 /nfs/dbraw/zinc/65/69/93/529656993.db2.gz IJMLWXPHUMAENA-HTQZYQBOSA-N 0 3 256.758 3.128 20 30 CGEDHN N#Cc1ccc(CN2CCN(C3CCCCC3)CC2)s1 ZINC000126497297 187243666 /nfs/dbraw/zinc/24/36/66/187243666.db2.gz KRFVLLCPNITNQG-UHFFFAOYSA-N 0 3 289.448 3.070 20 30 CGEDHN Cc1ccccc1CCN(C)Cc1ccc(C#N)o1 ZINC000295032047 199310523 /nfs/dbraw/zinc/31/05/23/199310523.db2.gz DHENQYRZCHUJKX-UHFFFAOYSA-N 0 3 254.333 3.134 20 30 CGEDHN C[C@@H]1CCN(Cc2ccncc2C#N)[C@@H]2CCCC[C@H]12 ZINC000592059337 346958262 /nfs/dbraw/zinc/95/82/62/346958262.db2.gz IPOJWMKDXXOOEV-KBRIMQKVSA-N 0 3 269.392 3.354 20 30 CGEDHN CC(C)CCN(CCC#N)CCC[C@@H]1CCOC1 ZINC000592072209 346960519 /nfs/dbraw/zinc/96/05/19/346960519.db2.gz ZOUPYSIPZHXTEK-OAHLLOKOSA-N 0 3 252.402 3.065 20 30 CGEDHN C[C@@H](c1ccc2ccccc2c1)N1CC[C@@](O)(CC#N)C1 ZINC000592150907 346966896 /nfs/dbraw/zinc/96/68/96/346966896.db2.gz JIUDGVDPEVSEOT-KSSFIOAISA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@H](c1ccc(C(C)(C)C)cc1)N1CC[C@@](O)(CC#N)C1 ZINC000592151837 346967682 /nfs/dbraw/zinc/96/76/82/346967682.db2.gz RSDVIQVELOOVJU-KDOFPFPSSA-N 0 3 286.419 3.396 20 30 CGEDHN C=C(C)CN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157875 346967922 /nfs/dbraw/zinc/96/79/22/346967922.db2.gz PZPWQVORYJYQGC-UHFFFAOYSA-N 0 3 253.386 3.006 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC2CCN(C(C)(C)C)CC2)c1 ZINC000273177090 192066682 /nfs/dbraw/zinc/06/66/82/192066682.db2.gz GDJNGBRLYQJRFR-UHFFFAOYSA-N 0 3 299.418 3.436 20 30 CGEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000593025872 347029601 /nfs/dbraw/zinc/02/96/01/347029601.db2.gz UECDKDWVQCQZJY-LALPHHSUSA-N 0 3 287.363 3.381 20 30 CGEDHN C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCc2ccc(F)cc21 ZINC000593119174 347042293 /nfs/dbraw/zinc/04/22/93/347042293.db2.gz YHWMKDURZXTXIJ-WWGRRREGSA-N 0 3 272.367 3.480 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1CCCCC1 ZINC000043999884 345005513 /nfs/dbraw/zinc/00/55/13/345005513.db2.gz GISZKQZZGORWCB-CQSZACIVSA-N 0 3 299.418 3.397 20 30 CGEDHN CCC[C@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000048070702 345060859 /nfs/dbraw/zinc/06/08/59/345060859.db2.gz YOIHFVWNCODAGB-HNNXBMFYSA-N 0 3 287.407 3.054 20 30 CGEDHN C[C@H](CCc1ccc(OC(F)F)cc1)NC[C@H](C)C#N ZINC000054179450 345130082 /nfs/dbraw/zinc/13/00/82/345130082.db2.gz ZNJKSZYDXXVIQR-VXGBXAGGSA-N 0 3 282.334 3.358 20 30 CGEDHN Cc1ccsc1CN(C)CCCSCC#N ZINC000074980688 345488759 /nfs/dbraw/zinc/48/87/59/345488759.db2.gz BRUMPXPVUFINAN-UHFFFAOYSA-N 0 3 254.424 3.135 20 30 CGEDHN CC[C@H]1C[C@@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075021477 345490903 /nfs/dbraw/zinc/49/09/03/345490903.db2.gz JDYQQNABLKOCNL-DOMZBBRYSA-N 0 3 296.374 3.229 20 30 CGEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000074318199 345466102 /nfs/dbraw/zinc/46/61/02/345466102.db2.gz YXLBJWMSLXLCFB-SNVBAGLBSA-N 0 3 293.798 3.174 20 30 CGEDHN CC(C)[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075648315 345517114 /nfs/dbraw/zinc/51/71/14/345517114.db2.gz KTUKJZMGLYRVNP-OAHLLOKOSA-N 0 3 296.374 3.229 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091536464 345818137 /nfs/dbraw/zinc/81/81/37/345818137.db2.gz UNMJMSMKKGVMOF-NSHDSACASA-N 0 3 251.326 3.025 20 30 CGEDHN C=CCCC[C@@H](C)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000091593858 345818766 /nfs/dbraw/zinc/81/87/66/345818766.db2.gz LGECYZXPUSKIAO-DGCLKSJQSA-N 0 3 279.346 3.366 20 30 CGEDHN C[C@H]1C[C@H](Nc2cnccc2C#N)CN1Cc1ccccc1 ZINC000091739541 345822637 /nfs/dbraw/zinc/82/26/37/345822637.db2.gz AJLBJNXJPVUQTC-YOEHRIQHSA-N 0 3 292.386 3.028 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072457 345830508 /nfs/dbraw/zinc/83/05/08/345830508.db2.gz AYTMAKUVYLAFRD-MRXNPFEDSA-N 0 3 297.402 3.354 20 30 CGEDHN C=CCCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329174 345875731 /nfs/dbraw/zinc/87/57/31/345875731.db2.gz YXLCXYFADUKWEC-GFCCVEGCSA-N 0 3 286.297 3.130 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](CC)COC)cc1Cl ZINC000120230437 345996856 /nfs/dbraw/zinc/99/68/56/345996856.db2.gz UVCKXRCZPMUDFT-ZDUSSCGKSA-N 0 3 283.799 3.419 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC000159234565 346166839 /nfs/dbraw/zinc/16/68/39/346166839.db2.gz PMWDKGGDHKUUJY-ZDUSSCGKSA-N 0 3 292.448 3.008 20 30 CGEDHN C[C@H]1C[C@H](Nc2cccc(C#N)n2)CN1Cc1ccccc1 ZINC000339217348 215020061 /nfs/dbraw/zinc/02/00/61/215020061.db2.gz LBMBXGQREKICFQ-YOEHRIQHSA-N 0 3 292.386 3.028 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc(Br)cn1 ZINC000309104059 346468867 /nfs/dbraw/zinc/46/88/67/346468867.db2.gz HCUUCSUCZLFWOS-SNVBAGLBSA-N 0 3 269.186 3.461 20 30 CGEDHN C=C(CC)CNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000313491250 346480492 /nfs/dbraw/zinc/48/04/92/346480492.db2.gz YQGBWKSUYXICRR-LBPRGKRZSA-N 0 3 261.365 3.074 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2ccc(C(=O)OCC)o2)C1 ZINC000593627257 347096603 /nfs/dbraw/zinc/09/66/03/347096603.db2.gz BKNJXRAMKAILHN-STQMWFEESA-N 0 3 277.364 3.291 20 30 CGEDHN C[C@H](CCC#N)CN1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000585727847 346727779 /nfs/dbraw/zinc/72/77/79/346727779.db2.gz XIXDPHHBBCXCND-OCCSQVGLSA-N 0 3 288.395 3.066 20 30 CGEDHN C[C@@H](CCc1ccc(F)cc1F)NCC(C)(C)C#N ZINC000589174713 346787205 /nfs/dbraw/zinc/78/72/05/346787205.db2.gz XAEXPYCTADGXMC-NSHDSACASA-N 0 3 266.335 3.425 20 30 CGEDHN C[C@]1(c2ccccc2)CCN(Cc2ccc(C#N)cn2)C1 ZINC000593960653 347124046 /nfs/dbraw/zinc/12/40/46/347124046.db2.gz BAFKDBMKYNNALS-SFHVURJKSA-N 0 3 277.371 3.117 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cn2)CCc2ccc(F)cc21 ZINC000594014456 347137312 /nfs/dbraw/zinc/13/73/12/347137312.db2.gz DUFVYLAFPBXUOM-CYBMUJFWSA-N 0 3 295.361 3.254 20 30 CGEDHN CCC(C)(C)N1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000594020558 347138349 /nfs/dbraw/zinc/13/83/49/347138349.db2.gz IVZRKVWANRQGNK-UHFFFAOYSA-N 0 3 289.398 3.004 20 30 CGEDHN CC[C@@H](NCc1cccc(C#N)c1F)[C@@H]1CCCCO1 ZINC000594040469 347142416 /nfs/dbraw/zinc/14/24/16/347142416.db2.gz GCDLVCOQCGRLGR-CABCVRRESA-N 0 3 276.355 3.135 20 30 CGEDHN CC[C@H](NCc1cc(C#N)ccc1OC)[C@@H]1CCCCO1 ZINC000594044945 347144197 /nfs/dbraw/zinc/14/41/97/347144197.db2.gz VLQWMJXDRVNKKP-RDJZCZTQSA-N 0 3 288.391 3.004 20 30 CGEDHN C[C@H]1CN(CCCSCC#N)CC2(CCCCC2)O1 ZINC000594058928 347146682 /nfs/dbraw/zinc/14/66/82/347146682.db2.gz UWCWVDQDKSZETJ-AWEZNQCLSA-N 0 3 282.453 3.057 20 30 CGEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC2(CCCCC2)O1 ZINC000594057806 347146742 /nfs/dbraw/zinc/14/67/42/347146742.db2.gz MWUNCEHFLLZYHV-RBSFLKMASA-N 0 3 262.397 3.102 20 30 CGEDHN N#CCCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000594225992 347166079 /nfs/dbraw/zinc/16/60/79/347166079.db2.gz HNMFZNIICYMZPA-KRWDZBQOSA-N 0 3 299.418 3.024 20 30 CGEDHN Cc1cc(CN(C)C)cc(NC(=O)CCCCC#N)c1 ZINC000594331886 347169873 /nfs/dbraw/zinc/16/98/73/347169873.db2.gz LIBXFIPNFRHADZ-UHFFFAOYSA-N 0 3 273.380 3.079 20 30 CGEDHN CC(C#N)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000594400593 347172376 /nfs/dbraw/zinc/17/23/76/347172376.db2.gz ZKAYYIVHUIVRJK-SECBINFHSA-N 0 3 285.174 3.202 20 30 CGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)CCCCC#N)cc1 ZINC000594424399 347173800 /nfs/dbraw/zinc/17/38/00/347173800.db2.gz CXUMSDKWXBRPEG-INIZCTEOSA-N 0 3 287.407 3.010 20 30 CGEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594426447 347173950 /nfs/dbraw/zinc/17/39/50/347173950.db2.gz CUVSZNAKRBCIHS-CQSZACIVSA-N 0 3 293.798 3.104 20 30 CGEDHN C[C@H]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)CS1 ZINC000594497602 347179361 /nfs/dbraw/zinc/17/93/61/347179361.db2.gz IKRXAFCQBQRSKC-SWLSCSKDSA-N 0 3 272.417 3.421 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594508101 347182389 /nfs/dbraw/zinc/18/23/89/347182389.db2.gz ATRNYPTZORZHRJ-LSDHHAIUSA-N 0 3 276.405 3.057 20 30 CGEDHN COc1c(C)cccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000594512546 347183866 /nfs/dbraw/zinc/18/38/66/347183866.db2.gz VNKGRJJPKGPYFC-UKRRQHHQSA-N 0 3 258.365 3.176 20 30 CGEDHN N#Cc1csc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594512924 347183902 /nfs/dbraw/zinc/18/39/02/347183902.db2.gz YLPZWEHXEUXFCX-GJZGRUSLSA-N 0 3 276.405 3.057 20 30 CGEDHN Cn1ccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594521989 347189204 /nfs/dbraw/zinc/18/92/04/347189204.db2.gz WLVQTUBKHAODSY-UHFFFAOYSA-N 0 3 265.360 3.066 20 30 CGEDHN CC(C)[C@@H](O)[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000594990800 347249985 /nfs/dbraw/zinc/24/99/85/347249985.db2.gz AIVZLOGGYDTRPB-RTBURBONSA-N 0 3 294.398 3.406 20 30 CGEDHN C=CCCSCCNCc1ccc(OCC)cc1 ZINC000594960607 347241846 /nfs/dbraw/zinc/24/18/46/347241846.db2.gz VXQFRAMOWRLUHF-UHFFFAOYSA-N 0 3 265.422 3.484 20 30 CGEDHN C=CCCSCCNCc1cccc(F)c1F ZINC000594960880 347242132 /nfs/dbraw/zinc/24/21/32/347242132.db2.gz ZIIJWLBFGFCXIS-UHFFFAOYSA-N 0 3 257.349 3.364 20 30 CGEDHN C=CCCSCCNCc1ccc(OC)cc1F ZINC000594965643 347244488 /nfs/dbraw/zinc/24/44/88/347244488.db2.gz BNFAAIWACGHCTD-UHFFFAOYSA-N 0 3 269.385 3.233 20 30 CGEDHN CCCCC[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000595260237 347286781 /nfs/dbraw/zinc/28/67/81/347286781.db2.gz YBSAUXMIAGMBGB-CVEARBPZSA-N 0 3 293.455 3.359 20 30 CGEDHN COc1ccccc1CN(C)CCc1ccc(C#N)cc1 ZINC000595291277 347287335 /nfs/dbraw/zinc/28/73/35/347287335.db2.gz IXGUJARBXBPYNE-UHFFFAOYSA-N 0 3 280.371 3.241 20 30 CGEDHN CCCN(CCO[C@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595289572 347287390 /nfs/dbraw/zinc/28/73/90/347287390.db2.gz FERYOORUIJOGEM-HNNXBMFYSA-N 0 3 294.345 3.194 20 30 CGEDHN CC[C@H](COCC1CC1)N[C@H](C)c1cccc(C#N)c1 ZINC000595056940 347272618 /nfs/dbraw/zinc/27/26/18/347272618.db2.gz UCTOSWGFYJKEPJ-CXAGYDPISA-N 0 3 272.392 3.414 20 30 CGEDHN CC[C@@H](NCC1(C#N)CCCCC1)C1(C(=O)OC)CCC1 ZINC000595091078 347280301 /nfs/dbraw/zinc/28/03/01/347280301.db2.gz NAFOQCGGAITRNP-CQSZACIVSA-N 0 3 292.423 3.172 20 30 CGEDHN CCOC1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595091496 347281184 /nfs/dbraw/zinc/28/11/84/347281184.db2.gz RMLIDJWDVOGPTP-UHFFFAOYSA-N 0 3 264.413 3.398 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C(=O)OC)cs1 ZINC000595604535 347324818 /nfs/dbraw/zinc/32/48/18/347324818.db2.gz SEZFOOVKJNNWCV-VXGBXAGGSA-N 0 3 294.420 3.154 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C(=O)OC)cs1 ZINC000595604534 347324914 /nfs/dbraw/zinc/32/49/14/347324914.db2.gz SEZFOOVKJNNWCV-RYUDHWBXSA-N 0 3 294.420 3.154 20 30 CGEDHN CSc1ccc(OCCN2CCC[C@H](CC#N)C2)cc1 ZINC000595615465 347327337 /nfs/dbraw/zinc/32/73/37/347327337.db2.gz RJZPSDCETWBNAG-CQSZACIVSA-N 0 3 290.432 3.413 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000595661052 347335208 /nfs/dbraw/zinc/33/52/08/347335208.db2.gz XAARDUGRZMWBMH-CABCVRRESA-N 0 3 297.402 3.173 20 30 CGEDHN CN(Cc1ccccc1C(C)(C)C#N)CC1=CCCOC1 ZINC000595751100 347349387 /nfs/dbraw/zinc/34/93/87/347349387.db2.gz GQCNNVJBNIBIBB-UHFFFAOYSA-N 0 3 284.403 3.266 20 30 CGEDHN C=CCC1(NCc2cc(C)c(C(=O)OC)o2)CCCC1 ZINC000595780131 347354839 /nfs/dbraw/zinc/35/48/39/347354839.db2.gz ILZZVCCMACBQKP-UHFFFAOYSA-N 0 3 277.364 3.353 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595786819 347356364 /nfs/dbraw/zinc/35/63/64/347356364.db2.gz HSVPTKWJGRPUGI-ROUUACIJSA-N 0 3 284.403 3.339 20 30 CGEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000595471405 347308596 /nfs/dbraw/zinc/30/85/96/347308596.db2.gz AKLCZNXKAOLMPU-IXDOHACOSA-N 0 3 295.430 3.375 20 30 CGEDHN COc1ccccc1C1(NCCc2ccc(C#N)cc2)CC1 ZINC000595562802 347319728 /nfs/dbraw/zinc/31/97/28/347319728.db2.gz MDMNHPRLUZXJIB-UHFFFAOYSA-N 0 3 292.382 3.388 20 30 CGEDHN CC(C)CC1(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000595831460 347362455 /nfs/dbraw/zinc/36/24/55/347362455.db2.gz OWUCWPVCXQWYAC-ZDUSSCGKSA-N 0 3 285.391 3.054 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCOc1ccccc1C#N ZINC000595844933 347367153 /nfs/dbraw/zinc/36/71/53/347367153.db2.gz IKNHEDRBWLWHKM-IYBDPMFKSA-N 0 3 268.360 3.120 20 30 CGEDHN C=C(CC)CN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595918658 347372339 /nfs/dbraw/zinc/37/23/39/347372339.db2.gz KBENQVWQDWDNKA-LBPRGKRZSA-N 0 3 294.420 3.075 20 30 CGEDHN N#CC[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000596331542 347420410 /nfs/dbraw/zinc/42/04/10/347420410.db2.gz RIUXERHRWXBDJA-CYBMUJFWSA-N 0 3 251.333 3.365 20 30 CGEDHN CCC1(CO)CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597013321 347527459 /nfs/dbraw/zinc/52/74/59/347527459.db2.gz INEUFGDPYXRGJK-UHFFFAOYSA-N 0 3 298.430 3.226 20 30 CGEDHN CC(C)CO[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597030630 347529315 /nfs/dbraw/zinc/52/93/15/347529315.db2.gz SGRBAFBVMZMBEQ-GOSISDBHSA-N 0 3 298.430 3.489 20 30 CGEDHN N#CCC[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000597066095 347532369 /nfs/dbraw/zinc/53/23/69/347532369.db2.gz OLPBYFOEYPOWOS-IKGGRYGDSA-N 0 3 270.376 3.189 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc3cc[nH]c32)C1 ZINC000597173341 347543295 /nfs/dbraw/zinc/54/32/95/347543295.db2.gz JEKKHXUQJYBFRQ-ZDUSSCGKSA-N 0 3 253.349 3.294 20 30 CGEDHN N#CCCCOc1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000597222749 347556762 /nfs/dbraw/zinc/55/67/62/347556762.db2.gz HAOAHDFVJUVOEN-HZPDHXFCSA-N 0 3 270.376 3.211 20 30 CGEDHN CC[C@H](C)N(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000597854170 347595364 /nfs/dbraw/zinc/59/53/64/347595364.db2.gz CYBCVTUKVRMYOE-HOCLYGCPSA-N 0 3 272.392 3.406 20 30 CGEDHN CN(C[C@H]1CC1(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000598550664 347664302 /nfs/dbraw/zinc/66/43/02/347664302.db2.gz MOZNSRRYNDFQKF-JKSUJKDBSA-N 0 3 284.403 3.263 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1CCCCO1 ZINC000599045574 347710219 /nfs/dbraw/zinc/71/02/19/347710219.db2.gz IFKVWZQGMIQLPG-ABAIWWIYSA-N 0 3 278.783 3.259 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1cccs1)C1CC1 ZINC000598587198 347666587 /nfs/dbraw/zinc/66/65/87/347666587.db2.gz OZPKAYRICXNZLU-CYBMUJFWSA-N 0 3 278.421 3.013 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000598587758 347667804 /nfs/dbraw/zinc/66/78/04/347667804.db2.gz VMIRJWHGUIICRL-HZPDHXFCSA-N 0 3 290.382 3.263 20 30 CGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC2(CC2)CC1 ZINC000599672096 347763597 /nfs/dbraw/zinc/76/35/97/347763597.db2.gz ALKHIBZXGVDZCM-AWEZNQCLSA-N 0 3 297.402 3.151 20 30 CGEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Cl)s1 ZINC000599359236 347739753 /nfs/dbraw/zinc/73/97/53/347739753.db2.gz MAULVIIUCGROBS-GHMZBOCLSA-N 0 3 298.839 3.497 20 30 CGEDHN Cc1ccsc1[C@@H](CO)NCc1ccc(C)c(C#N)c1 ZINC000599380694 347740481 /nfs/dbraw/zinc/74/04/81/347740481.db2.gz FICFXNKOJSGYJX-OAHLLOKOSA-N 0 3 286.400 3.060 20 30 CGEDHN Cc1ccc(CN2CCC[C@](CO)(C(C)C)C2)cc1C#N ZINC000599428976 347744060 /nfs/dbraw/zinc/74/40/60/347744060.db2.gz MGADVLOOYPOFOY-SFHVURJKSA-N 0 3 286.419 3.097 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552439 347753468 /nfs/dbraw/zinc/75/34/68/347753468.db2.gz CSJUPVAWOJVYCI-CABCVRRESA-N 0 3 288.416 3.037 20 30 CGEDHN CC1(C)CCC[C@@](CO)(NCc2cccc(F)c2C#N)C1 ZINC000599597704 347757288 /nfs/dbraw/zinc/75/72/88/347757288.db2.gz WXXJAJXPURTWSH-QGZVFWFLSA-N 0 3 290.382 3.118 20 30 CGEDHN C=CCC1(NCc2occc2C(=O)OC)CCCCC1 ZINC000599609117 347757460 /nfs/dbraw/zinc/75/74/60/347757460.db2.gz FWHZRPBPLATPQH-UHFFFAOYSA-N 0 3 277.364 3.435 20 30 CGEDHN CC[C@@H](CCc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000600606733 347813571 /nfs/dbraw/zinc/81/35/71/347813571.db2.gz QLZSECZVLBRSNX-SJORKVTESA-N 0 3 269.392 3.431 20 30 CGEDHN CN(C)Cc1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC000600850188 347841097 /nfs/dbraw/zinc/84/10/97/347841097.db2.gz TXHAYGQLYVWEAV-UHFFFAOYSA-N 0 3 283.350 3.371 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCC12CC2 ZINC000600802220 347837977 /nfs/dbraw/zinc/83/79/77/347837977.db2.gz FOEYSHNCZBVZHU-IAGOWNOFSA-N 0 3 296.414 3.455 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CCC2)[C@@H]2CCCO2)s1 ZINC000601155634 347876050 /nfs/dbraw/zinc/87/60/50/347876050.db2.gz CJJHDRPYCPUNLX-LSDHHAIUSA-N 0 3 276.405 3.057 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000601286921 347888934 /nfs/dbraw/zinc/88/89/34/347888934.db2.gz CDSGPOIIGBPOOB-DDTOSNHZSA-N 0 3 298.308 3.021 20 30 CGEDHN COc1ccc(CN(C)C[C@@H](C)CCC#N)c(OC)c1 ZINC000602431773 347957349 /nfs/dbraw/zinc/95/73/49/347957349.db2.gz FQQNCOXUWWQDAG-ZDUSSCGKSA-N 0 3 276.380 3.075 20 30 CGEDHN COc1ccc(CCCN(C)Cc2cccc(C#N)n2)cc1 ZINC000602450992 347960410 /nfs/dbraw/zinc/96/04/10/347960410.db2.gz YBJJMFWXOIRMTC-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN N#CCC1(CN2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000602785929 348028039 /nfs/dbraw/zinc/02/80/39/348028039.db2.gz STDHSGAZLQZLEP-UHFFFAOYSA-N 0 3 292.386 3.346 20 30 CGEDHN CC(C)(C#N)CN[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602617733 347994830 /nfs/dbraw/zinc/99/48/30/347994830.db2.gz ZRODAYAVODCLLP-WMZOPIPTSA-N 0 3 297.446 3.494 20 30 CGEDHN COc1cccc(Cl)c1CNC[C@@H](C)CCC#N ZINC000602634447 347997589 /nfs/dbraw/zinc/99/75/89/347997589.db2.gz QFQBLMHTFFCGQB-NSHDSACASA-N 0 3 266.772 3.378 20 30 CGEDHN C[C@H](CCC#N)CNc1cccc2c1OCC[C@@H]2N(C)C ZINC000602638821 347998540 /nfs/dbraw/zinc/99/85/40/347998540.db2.gz FLWPIBHNRKOULK-CJNGLKHVSA-N 0 3 287.407 3.424 20 30 CGEDHN N#CC1(CN[C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602644649 347999842 /nfs/dbraw/zinc/99/98/42/347999842.db2.gz ZSOWPNNLRSLJRV-WMZOPIPTSA-N 0 3 295.430 3.248 20 30 CGEDHN COc1cc(CNCC(C)(C)CCC#N)c(Cl)cc1O ZINC000602661562 348003720 /nfs/dbraw/zinc/00/37/20/348003720.db2.gz FZDOKAJAHXXSRR-UHFFFAOYSA-N 0 3 296.798 3.474 20 30 CGEDHN C[C@@H](CCC#N)CNC(C)(C)c1cc(C(F)(F)F)on1 ZINC000602670623 348004863 /nfs/dbraw/zinc/00/48/63/348004863.db2.gz AKOXWHLRJMEGJF-VIFPVBQESA-N 0 3 289.301 3.458 20 30 CGEDHN CC(C)O[C@@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000602693703 348010271 /nfs/dbraw/zinc/01/02/71/348010271.db2.gz IETHWBSHRLHXNR-UAGQMJEPSA-N 0 3 272.392 3.435 20 30 CGEDHN C[C@H](NCC1(C#N)CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000602699901 348012800 /nfs/dbraw/zinc/01/28/00/348012800.db2.gz TUJOWDOBZBQCLS-BPUTZDHNSA-N 0 3 254.377 3.462 20 30 CGEDHN CC(C)CCOC1CCN(CC2(CC#N)CC2)CC1 ZINC000602767400 348025722 /nfs/dbraw/zinc/02/57/22/348025722.db2.gz UDGWFTREPOPSPL-UHFFFAOYSA-N 0 3 264.413 3.207 20 30 CGEDHN CCc1nc([C@H](C)NC[C@@H](C)CCC#N)cs1 ZINC000602553939 347980802 /nfs/dbraw/zinc/98/08/02/347980802.db2.gz LJWZWMORQFEDPT-QWRGUYRKSA-N 0 3 251.399 3.296 20 30 CGEDHN N#CCC1(CN2CCC[C@H]2c2ccc(O)cc2)CC1 ZINC000602791702 348030509 /nfs/dbraw/zinc/03/05/09/348030509.db2.gz RYGPIEZNHDWCST-HNNXBMFYSA-N 0 3 256.349 3.223 20 30 CGEDHN N#Cc1ccc(CN2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000602904805 348042525 /nfs/dbraw/zinc/04/25/25/348042525.db2.gz OEQIBUIJKQRRMA-UHFFFAOYSA-N 0 3 295.361 3.472 20 30 CGEDHN C[C@H](CCC#N)N1CCC2(CCSCC2)CC1 ZINC000602951493 348047136 /nfs/dbraw/zinc/04/71/36/348047136.db2.gz PUIYFENIOMKKOK-CYBMUJFWSA-N 0 3 252.427 3.288 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C(C)C ZINC000604332310 348116064 /nfs/dbraw/zinc/11/60/64/348116064.db2.gz XFENVYUUCYXLSV-HZPDHXFCSA-N 0 3 294.483 3.483 20 30 CGEDHN C=CCCCN1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000605149652 348148677 /nfs/dbraw/zinc/14/86/77/348148677.db2.gz KZGAIGCPDUHDIK-UHFFFAOYSA-N 0 3 288.435 3.087 20 30 CGEDHN C=C(C)CN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000605187374 348150006 /nfs/dbraw/zinc/15/00/06/348150006.db2.gz VYYDXTYVZTYWKJ-ZDUSSCGKSA-N 0 3 273.298 3.079 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000606902741 348206504 /nfs/dbraw/zinc/20/65/04/348206504.db2.gz ZGNSPVVFSZURNV-HZPDHXFCSA-N 0 3 280.456 3.169 20 30 CGEDHN C[C@H](NCc1cnc2ccccn12)c1cccc(C#N)c1 ZINC000610344932 348376648 /nfs/dbraw/zinc/37/66/48/348376648.db2.gz NFHRRFNDKASVDS-ZDUSSCGKSA-N 0 3 276.343 3.057 20 30 CGEDHN C[C@@H](NCc1n[nH]c2ccccc21)c1cccc(C#N)c1 ZINC000610345242 348376965 /nfs/dbraw/zinc/37/69/65/348376965.db2.gz YUVVLVNCTZZXBN-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN C[C@@H](NCc1[nH]nc2ccccc21)c1cccc(C#N)c1 ZINC000610345242 348376969 /nfs/dbraw/zinc/37/69/69/348376969.db2.gz YUVVLVNCTZZXBN-GFCCVEGCSA-N 0 3 276.343 3.285 20 30 CGEDHN Cc1ccc2ncc(CN[C@@H](C)c3cccc(C#N)c3)n2c1 ZINC000610932073 348410980 /nfs/dbraw/zinc/41/09/80/348410980.db2.gz GEMBRKRZVCRXEJ-AWEZNQCLSA-N 0 3 290.370 3.365 20 30 CGEDHN C[C@@H](CN(C)Cc1ccnc(C#N)c1)c1ccccc1 ZINC000610992496 348415401 /nfs/dbraw/zinc/41/54/01/348415401.db2.gz KLGSXMGDIXPWCF-AWEZNQCLSA-N 0 3 265.360 3.189 20 30 CGEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)C1 ZINC000610993968 348416574 /nfs/dbraw/zinc/41/65/74/348416574.db2.gz OUBHEHMPSZYDHZ-HUUCEWRRSA-N 0 3 275.421 3.059 20 30 CGEDHN N#Cc1cc(CN(CCc2ccc(F)cc2)C2CC2)ccn1 ZINC000610993583 348416614 /nfs/dbraw/zinc/41/66/14/348416614.db2.gz YOAYOKLBBLXVHO-UHFFFAOYSA-N 0 3 295.361 3.299 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)F)C1 ZINC000611180518 348427000 /nfs/dbraw/zinc/42/70/00/348427000.db2.gz YVTBJGGKLHQXQJ-MFKMUULPSA-N 0 3 250.292 3.206 20 30 CGEDHN CCN1C[C@@H](C)N(c2cc(C#N)nc3ccccc32)C[C@H]1C ZINC000611222010 348428314 /nfs/dbraw/zinc/42/83/14/348428314.db2.gz CCDZSBGQFUJAEL-ZIAGYGMSSA-N 0 3 294.402 3.025 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000611403431 348447097 /nfs/dbraw/zinc/44/70/97/348447097.db2.gz LLVWMPKFFPWPHQ-IUODEOHRSA-N 0 3 260.337 3.437 20 30 CGEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2CC2)ccn1 ZINC000611433363 348451715 /nfs/dbraw/zinc/45/17/15/348451715.db2.gz MXIKCTQWVXIILY-KRWDZBQOSA-N 0 3 263.344 3.194 20 30 CGEDHN C#CCCOc1ccc(CN2CCCSCC2)cc1 ZINC000273396525 192137449 /nfs/dbraw/zinc/13/74/49/192137449.db2.gz LERNISVSBKMOIR-UHFFFAOYSA-N 0 3 275.417 3.028 20 30 CGEDHN C[C@]1(C#N)CCCN(C[C@@H]2CCc3ccccc3C2)C1 ZINC000612165225 348499048 /nfs/dbraw/zinc/49/90/48/348499048.db2.gz LTJGMDTWAHFUJB-CRAIPNDOSA-N 0 3 268.404 3.417 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)CN1C ZINC000614176751 348655328 /nfs/dbraw/zinc/65/53/28/348655328.db2.gz CBPAWUGCLRFQQO-HUUCEWRRSA-N 0 3 285.435 3.012 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CCCSCC2)cc1 ZINC000614177147 348655466 /nfs/dbraw/zinc/65/54/66/348655466.db2.gz NRUZOZQGJWVZJT-UHFFFAOYSA-N 0 3 274.433 3.427 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(CC1CCCCC1)C1CC1 ZINC000613501957 348612615 /nfs/dbraw/zinc/61/26/15/348612615.db2.gz RYCFSHLSAWCBSB-UHFFFAOYSA-N 0 3 290.451 3.232 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccnc2)C1 ZINC000614962865 348703544 /nfs/dbraw/zinc/70/35/44/348703544.db2.gz KBKCFMGMLPXXAO-WMLDXEAASA-N 0 3 280.375 3.153 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCCC1 ZINC000617340317 348949542 /nfs/dbraw/zinc/94/95/42/348949542.db2.gz YPTTZXRCQZMXMW-CQSZACIVSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CC[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000617783178 349011406 /nfs/dbraw/zinc/01/14/06/349011406.db2.gz VBERDHHOMJKBLF-OAHLLOKOSA-N 0 3 286.419 3.177 20 30 CGEDHN CO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000358567475 233157366 /nfs/dbraw/zinc/15/73/66/233157366.db2.gz CQIZUVXPDRGXAZ-NZVBXONLSA-N 0 3 276.355 3.161 20 30 CGEDHN CC(C)[C@@H]1C[C@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000352019976 219289744 /nfs/dbraw/zinc/28/97/44/219289744.db2.gz DZGGPFRKOKIQDT-PBHICJAKSA-N 0 3 290.382 3.238 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1n[nH]c2ccccc12 ZINC000618740956 349151631 /nfs/dbraw/zinc/15/16/31/349151631.db2.gz AJIZUEMTYJUAJE-MRXNPFEDSA-N 0 3 288.354 3.212 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1[nH]nc2ccccc21 ZINC000618740956 349151634 /nfs/dbraw/zinc/15/16/34/349151634.db2.gz AJIZUEMTYJUAJE-MRXNPFEDSA-N 0 3 288.354 3.212 20 30 CGEDHN CC[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000619624039 349263390 /nfs/dbraw/zinc/26/33/90/349263390.db2.gz HFDPZDZDNRPFLP-QGZVFWFLSA-N 0 3 286.419 3.489 20 30 CGEDHN C=CC[C@@H]1CCN(CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000625702222 350200067 /nfs/dbraw/zinc/20/00/67/350200067.db2.gz FPOOJKAGEPFVSI-CQSZACIVSA-N 0 3 284.403 3.012 20 30 CGEDHN C=CCC1(NCc2nc(C3CC3)nn2C)CCCCC1 ZINC000625934369 350233235 /nfs/dbraw/zinc/23/32/35/350233235.db2.gz LJYSCTGZGSKWKG-UHFFFAOYSA-N 0 3 274.412 3.061 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC2(CC2)CC1 ZINC000626114156 350264641 /nfs/dbraw/zinc/26/46/41/350264641.db2.gz VJHZCIRFPOVZJS-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cscc2Cl)CC1 ZINC000630942318 350913581 /nfs/dbraw/zinc/91/35/81/350913581.db2.gz JBJSKYKWXXWNFF-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)COCCNCc1ccccc1CC(F)(F)F ZINC000631091108 350951522 /nfs/dbraw/zinc/95/15/22/350951522.db2.gz OAYRZHDWQKJRNL-UHFFFAOYSA-N 0 3 287.325 3.474 20 30 CGEDHN C=CCCC(C)(C)CN[C@@H](c1nccn1C)C1CC1 ZINC000631681226 351117585 /nfs/dbraw/zinc/11/75/85/351117585.db2.gz WLMJQYHQLHHZIY-CQSZACIVSA-N 0 3 261.413 3.453 20 30 CGEDHN C=CCC[C@H](NCc1c(Br)cnn1C)C1CC1 ZINC000631684273 351118967 /nfs/dbraw/zinc/11/89/67/351118967.db2.gz LJDGDNHALNCRAZ-LBPRGKRZSA-N 0 3 298.228 3.017 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2cc(F)ccc2o1 ZINC000634979740 351614940 /nfs/dbraw/zinc/61/49/40/351614940.db2.gz MWPAXFAGVHHHRM-ZBEGNZNMSA-N 0 3 290.338 3.038 20 30 CGEDHN COc1ccc(CN2CC[C@@H](C)[C@@H](C)C2)cc1C#N ZINC000122524098 187036459 /nfs/dbraw/zinc/03/64/59/187036459.db2.gz BXTHUYLGFWMQOY-OLZOCXBDSA-N 0 3 258.365 3.045 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCOC[C@H](C2CCC2)C1 ZINC000292062458 198148892 /nfs/dbraw/zinc/14/88/92/198148892.db2.gz CRLFHETTWQNAEM-RDTXWAMCSA-N 0 3 284.403 3.368 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)o1 ZINC000367441376 234217076 /nfs/dbraw/zinc/21/70/76/234217076.db2.gz UJMDGHSOJOLQJT-OAHLLOKOSA-N 0 3 284.334 3.497 20 30 CGEDHN C#CCOc1ccc([C@H](C)NC[C@H](O)c2ccccc2)cc1 ZINC000153802006 188104409 /nfs/dbraw/zinc/10/44/09/188104409.db2.gz YBZPHHNXQQBWNZ-KXBFYZLASA-N 0 3 295.382 3.083 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000155089065 188181603 /nfs/dbraw/zinc/18/16/03/188181603.db2.gz OGFFQBPFLXHYTI-HNNXBMFYSA-N 0 3 266.344 3.216 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000155620964 188217621 /nfs/dbraw/zinc/21/76/21/188217621.db2.gz WRFCQDQQXVUGFN-NSHDSACASA-N 0 3 255.308 3.208 20 30 CGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCCSCC#N ZINC000157766559 188337726 /nfs/dbraw/zinc/33/77/26/188337726.db2.gz RGLYZWLSAIKJNP-LBPRGKRZSA-N 0 3 294.468 3.244 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1ccccn1)C(C)C ZINC000158609497 188385253 /nfs/dbraw/zinc/38/52/53/188385253.db2.gz FBOCNVPDMFQLGS-SJLPKXTDSA-N 0 3 287.451 3.431 20 30 CGEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000336412555 213269895 /nfs/dbraw/zinc/26/98/95/213269895.db2.gz AUHWJDDJVGHUON-YVEFUNNKSA-N 0 3 280.375 3.400 20 30 CGEDHN C[C@H](N[C@H]1CS[C@H](C)C1)c1ccc(C#N)cc1F ZINC000414236860 235370876 /nfs/dbraw/zinc/37/08/76/235370876.db2.gz VVTMEWRUCIZUFQ-JFGNBEQYSA-N 0 3 264.369 3.242 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000518286798 283147648 /nfs/dbraw/zinc/14/76/48/283147648.db2.gz LSBORQWWHRYRLE-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN CC[C@@H]1CC[C@H](C)N1Cc1cc(C#N)ccc1OC ZINC000124605552 138376522 /nfs/dbraw/zinc/37/65/22/138376522.db2.gz BLJFYIMPKRNVGC-SWLSCSKDSA-N 0 3 258.365 3.330 20 30 CGEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000176975932 189018074 /nfs/dbraw/zinc/01/80/74/189018074.db2.gz GKUXGQUPWZRXDJ-KBPBESRZSA-N 0 3 276.405 3.057 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)s1)Oc1ccccc1F ZINC000176978326 189018358 /nfs/dbraw/zinc/01/83/58/189018358.db2.gz CNAAYHPZKSZHSQ-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN CC(C)[C@@H](CNCc1ccc(C#N)o1)c1cccnc1 ZINC000177596441 189058828 /nfs/dbraw/zinc/05/88/28/189058828.db2.gz OIXXMUFDUHMFHH-MRXNPFEDSA-N 0 3 269.348 3.076 20 30 CGEDHN CC1(C)C[C@H](NCc2ccc(C#N)s2)C(C)(C)O1 ZINC000180366727 189251576 /nfs/dbraw/zinc/25/15/76/189251576.db2.gz ICIOBGDLIHVHFJ-LBPRGKRZSA-N 0 3 264.394 3.055 20 30 CGEDHN C[C@H](O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000181564493 189300980 /nfs/dbraw/zinc/30/09/80/189300980.db2.gz UBESFXUDWVRQMQ-KBPBESRZSA-N 0 3 280.371 3.462 20 30 CGEDHN CC(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000451501526 240314821 /nfs/dbraw/zinc/31/48/21/240314821.db2.gz PEAUPBPMZCIPND-HZPDHXFCSA-N 0 3 290.382 3.379 20 30 CGEDHN C[C@H]1CCC(C)(C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000452003343 240393641 /nfs/dbraw/zinc/39/36/41/240393641.db2.gz GFQDDLSAAATWCC-LBPRGKRZSA-N 0 3 296.374 3.371 20 30 CGEDHN CO[C@@H]([C@H](C)N[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000453339996 240857915 /nfs/dbraw/zinc/85/79/15/240857915.db2.gz BOGPGHANPMQAOJ-MMPTUQATSA-N 0 3 276.355 3.161 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@H](C)CC[C@@H]1C ZINC000121101884 370829128 /nfs/dbraw/zinc/82/91/28/370829128.db2.gz MLRYVILHZVDTAB-OLZOCXBDSA-N 0 3 258.365 3.187 20 30 CGEDHN C[C@@H](CN(C)Cc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000459773594 242224974 /nfs/dbraw/zinc/22/49/74/242224974.db2.gz PCVBGNZULNMMKK-NSHDSACASA-N 0 3 294.420 3.029 20 30 CGEDHN COc1cccc(C(C)(C)CNCc2ccc(C#N)o2)c1 ZINC000121507274 370867050 /nfs/dbraw/zinc/86/70/50/370867050.db2.gz GJTOWJCZFBOIOF-UHFFFAOYSA-N 0 3 284.359 3.227 20 30 CGEDHN C=CCN(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000121602626 370877534 /nfs/dbraw/zinc/87/75/34/370877534.db2.gz YOQIMJCZWHIQBF-UHFFFAOYSA-N 0 3 261.365 3.260 20 30 CGEDHN CC[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000034674499 368978442 /nfs/dbraw/zinc/97/84/42/368978442.db2.gz PCAHKZKLZXHAIW-OAHLLOKOSA-N 0 3 258.365 3.202 20 30 CGEDHN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1cccs1 ZINC000035206423 369000587 /nfs/dbraw/zinc/00/05/87/369000587.db2.gz NPVMJSJGLWOJPL-UHFFFAOYSA-N 0 3 299.399 3.080 20 30 CGEDHN Cc1cc(CNCc2cccc(C#N)c2)cc(C)c1O ZINC000037748799 369103377 /nfs/dbraw/zinc/10/33/77/369103377.db2.gz YIHAALDNPJSCTK-UHFFFAOYSA-N 0 3 266.344 3.171 20 30 CGEDHN CCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000037505874 369087211 /nfs/dbraw/zinc/08/72/11/369087211.db2.gz LDKZXMXMJMWQQA-UHFFFAOYSA-N 0 3 266.344 3.247 20 30 CGEDHN CC1CC1c1ccc(C=CC(=O)Nc2cc(C#N)ccn2)o1 ZINC000493456548 244167070 /nfs/dbraw/zinc/16/70/70/244167070.db2.gz DVYRHKHEHJBODD-FRMUXSOBSA-N 0 3 293.326 3.322 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051559861 369449331 /nfs/dbraw/zinc/44/93/31/369449331.db2.gz XTXQLKDNHAOBDL-UHFFFAOYSA-N 0 3 264.325 3.001 20 30 CGEDHN C=C(C)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000053096005 369478144 /nfs/dbraw/zinc/47/81/44/369478144.db2.gz FTJZUWXIQJBUFO-AWEZNQCLSA-N 0 3 259.349 3.171 20 30 CGEDHN C=C(C)CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054297303 369500584 /nfs/dbraw/zinc/50/05/84/369500584.db2.gz QZJOKWXBZCADAO-UHFFFAOYSA-N 0 3 257.377 3.466 20 30 CGEDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1ncccc1C#N)N(C)C ZINC000343818296 216930375 /nfs/dbraw/zinc/93/03/75/216930375.db2.gz ZWGHAHIBXORPPT-RHSMWYFYSA-N 0 3 294.402 3.365 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1CCCC1 ZINC000070158356 369784065 /nfs/dbraw/zinc/78/40/65/369784065.db2.gz DSLQLYOZLRIEQY-CYBMUJFWSA-N 0 3 285.391 3.007 20 30 CGEDHN CCCN(CCC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000072939136 369844803 /nfs/dbraw/zinc/84/48/03/369844803.db2.gz UHRFFUMBPPVYLY-UHFFFAOYSA-N 0 3 293.798 3.272 20 30 CGEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000075638366 369915387 /nfs/dbraw/zinc/91/53/87/369915387.db2.gz PBDVQQPZEMDKGT-UHFFFAOYSA-N 0 3 296.374 3.373 20 30 CGEDHN CCCO[C@@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000093317628 370118764 /nfs/dbraw/zinc/11/87/64/370118764.db2.gz AATRQFNUBNJRDC-CQSZACIVSA-N 0 3 278.421 3.401 20 30 CGEDHN C=CC1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000093359317 370119049 /nfs/dbraw/zinc/11/90/49/370119049.db2.gz MAKBXDXMGPZGNI-UHFFFAOYSA-N 0 3 258.365 3.043 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093509187 370137530 /nfs/dbraw/zinc/13/75/30/370137530.db2.gz UZLYGOLTOFVYBD-ZIAGYGMSSA-N 0 3 282.391 3.216 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccncc1 ZINC000130297400 371023391 /nfs/dbraw/zinc/02/33/91/371023391.db2.gz NXXQYGVEANWULR-UHFFFAOYSA-N 0 3 252.361 3.312 20 30 CGEDHN CCC(CC)N(CCOC)Cc1cc(C#N)ccc1OC ZINC000130442122 371033513 /nfs/dbraw/zinc/03/35/13/371033513.db2.gz LPENEDRFULQPDU-UHFFFAOYSA-N 0 3 290.407 3.204 20 30 CGEDHN C=C[C@@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000134319838 371322175 /nfs/dbraw/zinc/32/21/75/371322175.db2.gz XYHILMGRHXMVOI-SNVBAGLBSA-N 0 3 267.756 3.165 20 30 CGEDHN CC[C@@H]1CCCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000134725107 371360901 /nfs/dbraw/zinc/36/09/01/371360901.db2.gz GNGJETDCLLAIIH-MRXNPFEDSA-N 0 3 285.391 3.151 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)o1 ZINC000135165794 371396962 /nfs/dbraw/zinc/39/69/62/371396962.db2.gz URKWZVPREBDXHX-LMXXTMHSSA-N 0 3 256.349 3.066 20 30 CGEDHN C=C(C)CN1CCC(NCc2cc(F)c(F)cc2F)CC1 ZINC000136078633 371460267 /nfs/dbraw/zinc/46/02/67/371460267.db2.gz ICOHTDOVDFECSO-UHFFFAOYSA-N 0 3 298.352 3.234 20 30 CGEDHN N#Cc1ccccc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000152923532 371736498 /nfs/dbraw/zinc/73/64/98/371736498.db2.gz JKRCVBJMRPJQTL-GOSISDBHSA-N 0 3 284.403 3.482 20 30 CGEDHN CO[C@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)s1 ZINC000421879775 371695212 /nfs/dbraw/zinc/69/52/12/371695212.db2.gz NLGGZFXNBCQMAA-LRDDRELGSA-N 0 3 286.400 3.486 20 30 CGEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)s1 ZINC000421879777 371695319 /nfs/dbraw/zinc/69/53/19/371695319.db2.gz NLGGZFXNBCQMAA-MLGOLLRUSA-N 0 3 286.400 3.486 20 30 CGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000344077536 217039735 /nfs/dbraw/zinc/03/97/35/217039735.db2.gz VTOBBNSBSAOJRF-UHFFFAOYSA-N 0 3 280.371 3.207 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000289853113 371840641 /nfs/dbraw/zinc/84/06/41/371840641.db2.gz QNIFPOZNEHAFAI-UFBFGSQYSA-N 0 3 260.164 3.191 20 30 CGEDHN Cc1ccc(O)c(CN(Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000154370106 371841072 /nfs/dbraw/zinc/84/10/72/371841072.db2.gz GVKUISLXEOBHLJ-UHFFFAOYSA-N 0 3 295.386 3.378 20 30 CGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1F ZINC000156161273 371966639 /nfs/dbraw/zinc/96/66/39/371966639.db2.gz ARGRELDTJSDBLX-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN C[C@H](N[C@@H]1COc2ccc(F)cc2C1)c1cccc(C#N)c1 ZINC000290478794 371998944 /nfs/dbraw/zinc/99/89/44/371998944.db2.gz XGNZLIWGOJPYSN-SJCJKPOMSA-N 0 3 296.345 3.352 20 30 CGEDHN CCN(CC1CC1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157983623 372045521 /nfs/dbraw/zinc/04/55/21/372045521.db2.gz BGWVBNONKMLHIS-HNNXBMFYSA-N 0 3 299.418 3.054 20 30 CGEDHN N#Cc1ccc(CNCCc2ccc(F)cc2Cl)o1 ZINC000344216247 217103643 /nfs/dbraw/zinc/10/36/43/217103643.db2.gz HYNSYGFNSXFSAJ-UHFFFAOYSA-N 0 3 278.714 3.276 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000158961085 372093752 /nfs/dbraw/zinc/09/37/52/372093752.db2.gz SIJYSXHNQLCIHM-HNNXBMFYSA-N 0 3 299.336 3.283 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(OCCOC)c(OC)c1 ZINC000159013899 372099067 /nfs/dbraw/zinc/09/90/67/372099067.db2.gz LWJLRVKWDSYWAO-UHFFFAOYSA-N 0 3 293.407 3.118 20 30 CGEDHN C=C(C)C(C)(C)C(=O)Nc1ccccc1CCN(C)C ZINC000424798200 372101660 /nfs/dbraw/zinc/10/16/60/372101660.db2.gz ILNAYAZUWKLTLZ-UHFFFAOYSA-N 0 3 274.408 3.332 20 30 CGEDHN CO[C@@](C)(CN[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000291257427 372148803 /nfs/dbraw/zinc/14/88/03/372148803.db2.gz PRQMNIHGRJIRCS-BZNIZROVSA-N 0 3 276.355 3.163 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(N2CCCC2)nc1 ZINC000426540937 372163729 /nfs/dbraw/zinc/16/37/29/372163729.db2.gz AKWSZNRFXXNYIJ-INIZCTEOSA-N 0 3 271.408 3.222 20 30 CGEDHN C=CCC[C@@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000159928679 372195068 /nfs/dbraw/zinc/19/50/68/372195068.db2.gz BYEHYSORLVGUGF-CHWSQXEVSA-N 0 3 273.298 3.207 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000429303392 372348234 /nfs/dbraw/zinc/34/82/34/372348234.db2.gz BNMSMUMFIPZONJ-JKSUJKDBSA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCN(C)CCN(CC)CCSc1ccccc1 ZINC000429729178 372377592 /nfs/dbraw/zinc/37/75/92/372377592.db2.gz YSZZAGWGUNLIQX-UHFFFAOYSA-N 0 3 278.465 3.218 20 30 CGEDHN C=CCN(C)CCN(CC)CC#Cc1ccc(Cl)cc1 ZINC000429725074 372378107 /nfs/dbraw/zinc/37/81/07/372378107.db2.gz RLIWUWQEWWSXGI-UHFFFAOYSA-N 0 3 290.838 3.131 20 30 CGEDHN CCCOc1cccc(CNCC2(CC#N)CC2)c1 ZINC000430024081 372381876 /nfs/dbraw/zinc/38/18/76/372381876.db2.gz YXHNFJWUEVWOSZ-UHFFFAOYSA-N 0 3 258.365 3.259 20 30 CGEDHN N#CCC1(CNCc2ccc(Cl)c(F)c2)CC1 ZINC000430039933 372381964 /nfs/dbraw/zinc/38/19/64/372381964.db2.gz NRFAHLMXVZXOLY-UHFFFAOYSA-N 0 3 252.720 3.263 20 30 CGEDHN C=CCC[C@@H](NCCNC(=O)[C@@H](C)CCC)c1ccco1 ZINC000293591733 372420048 /nfs/dbraw/zinc/42/00/48/372420048.db2.gz CUCSDCQEYSUJIA-LSDHHAIUSA-N 0 3 292.423 3.429 20 30 CGEDHN COc1ccsc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430739757 372394392 /nfs/dbraw/zinc/39/43/92/372394392.db2.gz IHEGEEIVTLNKRV-SNVBAGLBSA-N 0 3 250.367 3.101 20 30 CGEDHN COc1ccc(C#N)cc1CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000166713501 372580960 /nfs/dbraw/zinc/58/09/60/372580960.db2.gz COAYNZSHMBDPIL-RDBSUJKOSA-N 0 3 272.392 3.433 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(F)c1 ZINC000433219187 372583946 /nfs/dbraw/zinc/58/39/46/372583946.db2.gz HAKBESVWWKSRMU-INIZCTEOSA-N 0 3 296.345 3.214 20 30 CGEDHN N#CCCCCN[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000171034618 372701259 /nfs/dbraw/zinc/70/12/59/372701259.db2.gz DGYCROWNWVDVLK-QGZVFWFLSA-N 0 3 299.418 3.024 20 30 CGEDHN C[C@@H](C1CC1)N(Cc1ccc(F)cc1C#N)C1CC1 ZINC000171376932 372747676 /nfs/dbraw/zinc/74/76/76/372747676.db2.gz WOPBPIHVDMUESL-NSHDSACASA-N 0 3 258.340 3.460 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CCCCC#N)c([O-])c1 ZINC000171417207 372755033 /nfs/dbraw/zinc/75/50/33/372755033.db2.gz CMIAFSICJGRPNZ-QGOAFFKASA-N 0 3 273.380 3.351 20 30 CGEDHN CN(C)c1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353430358 220078042 /nfs/dbraw/zinc/07/80/42/220078042.db2.gz WQDFWDDOMYRYHE-IBGZPJMESA-N 0 3 291.398 3.401 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(F)cccc1F ZINC000435748899 372803195 /nfs/dbraw/zinc/80/31/95/372803195.db2.gz QLBMYWCHQLDSJD-ABAIWWIYSA-N 0 3 267.319 3.036 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000436295787 372832398 /nfs/dbraw/zinc/83/23/98/372832398.db2.gz HPJINXLPFMIREE-QEORTHHSSA-N 0 3 288.366 3.329 20 30 CGEDHN CCC(CC)CN(CCC#N)CC[C@H]1CCOC1 ZINC000438097570 372878719 /nfs/dbraw/zinc/87/87/19/372878719.db2.gz RDSBLUYZWQIFJA-HNNXBMFYSA-N 0 3 252.402 3.065 20 30 CGEDHN C=CCN(CCc1cccnc1)Cc1ccc(OC)cc1 ZINC000172075024 372895175 /nfs/dbraw/zinc/89/51/75/372895175.db2.gz MYAAOKIIJGHOMY-UHFFFAOYSA-N 0 3 282.387 3.321 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000441278311 373000083 /nfs/dbraw/zinc/00/00/83/373000083.db2.gz RGHPCDYNHFAOLG-UHFFFAOYSA-N 0 3 260.337 3.383 20 30 CGEDHN COc1cc(CN2CCC[C@H](C(C)C)C2)ccc1C#N ZINC000443070705 373149528 /nfs/dbraw/zinc/14/95/28/373149528.db2.gz OXTLYIUUZYCJAU-INIZCTEOSA-N 0 3 272.392 3.435 20 30 CGEDHN CC(C)(C)OC(=O)[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000444652289 373221388 /nfs/dbraw/zinc/22/13/88/373221388.db2.gz REXFTKYSZKVLCB-AWEZNQCLSA-N 0 3 294.439 3.370 20 30 CGEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCCC[C@@H]1CC ZINC000444663302 373223573 /nfs/dbraw/zinc/22/35/73/373223573.db2.gz KLBKCPZHVZWPMK-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccncc1 ZINC000174437620 373317678 /nfs/dbraw/zinc/31/76/78/373317678.db2.gz ZPMROPYKSHVAFJ-INIZCTEOSA-N 0 3 251.333 3.194 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)o1)COCc1ccccc1 ZINC000174299785 373286431 /nfs/dbraw/zinc/28/64/31/373286431.db2.gz VRWKUWBVWMOBNV-AWEZNQCLSA-N 0 3 284.359 3.094 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)o1)Oc1ccc(Cl)cc1 ZINC000174644114 373347867 /nfs/dbraw/zinc/34/78/67/373347867.db2.gz MUSMPQKXFFQWIJ-LLVKDONJSA-N 0 3 290.750 3.362 20 30 CGEDHN C=CC[C@@H]1N(Cc2cc(C(N)=O)cs2)CCCC1(C)C ZINC000446834512 373369292 /nfs/dbraw/zinc/36/92/92/373369292.db2.gz KOFLKILLAKGVLF-AWEZNQCLSA-N 0 3 292.448 3.414 20 30 CGEDHN C=C(C)CN1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447389989 373430463 /nfs/dbraw/zinc/43/04/63/373430463.db2.gz CIWAXOHHFUBFOL-OAHLLOKOSA-N 0 3 281.403 3.321 20 30 CGEDHN CN(CCN(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000353612786 220190734 /nfs/dbraw/zinc/19/07/34/220190734.db2.gz KUJNNVIMSBLBCZ-UHFFFAOYSA-N 0 3 279.387 3.126 20 30 CGEDHN CC[C@@H](NCc1ccnc(OC)c1)c1ccc(C#N)cc1 ZINC000447541464 373447384 /nfs/dbraw/zinc/44/73/84/373447384.db2.gz MFLOPMPCBHTKJU-MRXNPFEDSA-N 0 3 281.359 3.203 20 30 CGEDHN C=CCc1cc(CNC2CC(C)(F)C2)cc(OC)c1O ZINC000449370926 373685121 /nfs/dbraw/zinc/68/51/21/373685121.db2.gz OKHBMOYDAWTJQR-UHFFFAOYSA-N 0 3 279.355 3.110 20 30 CGEDHN N#Cc1ccc(N2CCN(C3CCCCC3)CC2)c(F)c1 ZINC000301358200 373758050 /nfs/dbraw/zinc/75/80/50/373758050.db2.gz MVCSPHPEEFOWGN-UHFFFAOYSA-N 0 3 287.382 3.152 20 30 CGEDHN C=C(C)CCNCc1nc2ccc(F)cc2s1 ZINC000449479927 373766968 /nfs/dbraw/zinc/76/69/68/373766968.db2.gz WQHGQIKKAXCKFL-UHFFFAOYSA-N 0 3 250.342 3.491 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)cc1Cl ZINC000449518448 373818788 /nfs/dbraw/zinc/81/87/88/373818788.db2.gz JZHZVGWURVZTHR-OLZOCXBDSA-N 0 3 272.175 3.427 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OCC(C)C)c1 ZINC000449520438 373820100 /nfs/dbraw/zinc/82/01/00/373820100.db2.gz PNLQBRLUOODILD-SJORKVTESA-N 0 3 275.392 3.155 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2ccccc2cc1OC ZINC000449522219 373822628 /nfs/dbraw/zinc/82/26/28/373822628.db2.gz UTYOFPRADVUFNZ-SJORKVTESA-N 0 3 283.371 3.282 20 30 CGEDHN CN1CC[C@@H](NCc2cc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000179046036 373831421 /nfs/dbraw/zinc/83/14/21/373831421.db2.gz DJBXTGJZUFRPLK-SJORKVTESA-N 0 3 297.427 3.155 20 30 CGEDHN C=CC(C)(C)CNCc1cnc(C(F)(F)F)s1 ZINC000449487578 373778237 /nfs/dbraw/zinc/77/82/37/373778237.db2.gz ZHJQBSOSGSBJJO-UHFFFAOYSA-N 0 3 264.316 3.464 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OCC)[C@H](C)C2)cc1 ZINC000449492357 373784971 /nfs/dbraw/zinc/78/49/71/373784971.db2.gz JBRDVCDHQJNQAJ-QAPCUYQASA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCC[C@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449702387 373845888 /nfs/dbraw/zinc/84/58/88/373845888.db2.gz ZEAXNQGMCRXLMA-CQSZACIVSA-N 0 3 292.379 3.135 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000449734754 373860831 /nfs/dbraw/zinc/86/08/31/373860831.db2.gz DHHGWFAXBJSRNX-HIFRSBDPSA-N 0 3 278.396 3.317 20 30 CGEDHN C=CC1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000449851337 373943318 /nfs/dbraw/zinc/94/33/18/373943318.db2.gz AUAAXLVBGMEGLL-KRWDZBQOSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CC)CCCC1 ZINC000449859382 373945580 /nfs/dbraw/zinc/94/55/80/373945580.db2.gz WBBFAXVBDYMOEI-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCCCC1 ZINC000449937820 373976943 /nfs/dbraw/zinc/97/69/43/373976943.db2.gz DAZHYIFHBLBYEL-GJZGRUSLSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CCCCC1 ZINC000449987078 373980435 /nfs/dbraw/zinc/98/04/35/373980435.db2.gz PRKDGAGGQVVNOG-CVEARBPZSA-N 0 3 292.467 3.454 20 30 CGEDHN C#CCSCCN[C@H](CC(C)C)c1ccccn1 ZINC000181098218 374078477 /nfs/dbraw/zinc/07/84/77/374078477.db2.gz JELWLCYFTCQAFC-OAHLLOKOSA-N 0 3 262.422 3.125 20 30 CGEDHN C=CCCC[C@@H](C)N1CCC(O)(C(F)(F)F)CC1 ZINC000305789808 374111685 /nfs/dbraw/zinc/11/16/85/374111685.db2.gz ZOENLOLBRMOLOT-LLVKDONJSA-N 0 3 265.319 3.120 20 30 CGEDHN CC[C@H](C)[C@@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305828213 374116775 /nfs/dbraw/zinc/11/67/75/374116775.db2.gz RYLPYQCMMHTTQM-OZVIIMIRSA-N 0 3 278.371 3.145 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCCN(C)[C@@H]2C)CCCCC1 ZINC000450790522 374179213 /nfs/dbraw/zinc/17/92/13/374179213.db2.gz HJVBZJKLGYOLSU-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C[C@H](C#N)CNC[C@@H](C)c1cccc(Br)c1 ZINC000183837792 374463048 /nfs/dbraw/zinc/46/30/48/374463048.db2.gz VOACQDMBRFMACO-GHMZBOCLSA-N 0 3 281.197 3.302 20 30 CGEDHN C[C@@H](NCC(C)(C)C(C)(C)O)c1ccc(C#N)cc1F ZINC000453383441 374469212 /nfs/dbraw/zinc/46/92/12/374469212.db2.gz YTYGFQHPELMBQP-LLVKDONJSA-N 0 3 278.371 3.145 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000334524365 374820205 /nfs/dbraw/zinc/82/02/05/374820205.db2.gz JKFLFZRPEIGCAF-JGVFFNPUSA-N 0 3 271.147 3.330 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC2(c3ccc(F)cc3)CC2)C1 ZINC000334570647 374871642 /nfs/dbraw/zinc/87/16/42/374871642.db2.gz KZIMTXWVIAHPKC-WFASDCNBSA-N 0 3 258.340 3.487 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC3(CC2)OCCc2ccccc23)C1 ZINC000334643989 374936128 /nfs/dbraw/zinc/93/61/28/374936128.db2.gz ABUAZCSEECSEOZ-NVXWUHKLSA-N 0 3 296.414 3.243 20 30 CGEDHN C=CCNC(=O)CN(Cc1ccccc1)[C@H](C)C(C)(C)C ZINC000469446246 374988674 /nfs/dbraw/zinc/98/86/74/374988674.db2.gz MGPTWPMJBFOXMU-OAHLLOKOSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470724741 374999531 /nfs/dbraw/zinc/99/95/31/374999531.db2.gz WCOMUYWINWCWQY-LJQANCHMSA-N 0 3 281.399 3.417 20 30 CGEDHN C=CCCOCCNCc1cc2c(cc(C)cc2C)[nH]1 ZINC000479465335 375153678 /nfs/dbraw/zinc/15/36/78/375153678.db2.gz PGRAGQAXZXBGFT-UHFFFAOYSA-N 0 3 272.392 3.467 20 30 CGEDHN C=CCN(CCOC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000483417962 375179373 /nfs/dbraw/zinc/17/93/73/375179373.db2.gz NRIQDZHPKHGABD-KAMYIIQDSA-N 0 3 290.363 3.133 20 30 CGEDHN C=CCN(CC(=O)NC1CCCC1)CC1CCCCC1 ZINC000484670551 375189498 /nfs/dbraw/zinc/18/94/98/375189498.db2.gz OUPASGLVTMMCGQ-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)s1 ZINC000335420687 375278810 /nfs/dbraw/zinc/27/88/10/375278810.db2.gz DBKCOVSOMJPEKC-DOMZBBRYSA-N 0 3 276.405 3.011 20 30 CGEDHN C=CCN1CCC(Nc2ccnc3c(OC)cccc23)CC1 ZINC000189374115 375379775 /nfs/dbraw/zinc/37/97/75/375379775.db2.gz JAWGZQRDUUVVQP-UHFFFAOYSA-N 0 3 297.402 3.306 20 30 CGEDHN C=CCN(C)CCOc1c(Cl)cccc1Cl ZINC000494643086 375489616 /nfs/dbraw/zinc/48/96/16/375489616.db2.gz MUCVYCZICCBENB-UHFFFAOYSA-N 0 3 260.164 3.490 20 30 CGEDHN C=CCN(CC=C)[C@H](CNCc1cncc(F)c1)C(C)C ZINC000494543514 375490141 /nfs/dbraw/zinc/49/01/41/375490141.db2.gz BJQCLYASOCAGJU-QGZVFWFLSA-N 0 3 291.414 3.009 20 30 CGEDHN C=C(CC)CN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495721037 375502084 /nfs/dbraw/zinc/50/20/84/375502084.db2.gz XPSGVPHAWCLZTR-MRXNPFEDSA-N 0 3 282.428 3.189 20 30 CGEDHN CC1(C)CN(CCCSCC#N)CC2(CCCC2)O1 ZINC000190978096 375557538 /nfs/dbraw/zinc/55/75/38/375557538.db2.gz DMBFATYTGHNILR-UHFFFAOYSA-N 0 3 282.453 3.057 20 30 CGEDHN C=CCOc1ccc(CNCCC#CC)cc1Cl ZINC000499215796 375630767 /nfs/dbraw/zinc/63/07/67/375630767.db2.gz RJCDRNOBFUUOFI-UHFFFAOYSA-N 0 3 263.768 3.408 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000336268607 375768583 /nfs/dbraw/zinc/76/85/83/375768583.db2.gz TVJKVPMLMUIVFK-JGVFFNPUSA-N 0 3 271.147 3.330 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1CC#Cc1ccc(F)cc1 ZINC000512463186 375796715 /nfs/dbraw/zinc/79/67/15/375796715.db2.gz OZPNVIZYENDREM-MAUKXSAKSA-N 0 3 289.394 3.193 20 30 CGEDHN C=CCCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000515206156 375811728 /nfs/dbraw/zinc/81/17/28/375811728.db2.gz HKCPFLLMMPRWAK-LBPRGKRZSA-N 0 3 265.319 3.386 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2-n2cccn2)C1 ZINC000192776012 375788512 /nfs/dbraw/zinc/78/85/12/375788512.db2.gz IYFQKVXFJKWVBH-ZBFHGGJFSA-N 0 3 280.375 3.044 20 30 CGEDHN CCCCCN(CC(=O)NC1(C#N)CCC1)[C@H](C)CCC ZINC000526291306 375890652 /nfs/dbraw/zinc/89/06/52/375890652.db2.gz UKSQJCSQAUALIV-OAHLLOKOSA-N 0 3 293.455 3.230 20 30 CGEDHN CO[C@@H](Cc1ccc(F)cc1)CN1CCC(C)(C#N)CC1 ZINC000528437140 375902155 /nfs/dbraw/zinc/90/21/55/375902155.db2.gz DSSOQYKHOLBMJH-INIZCTEOSA-N 0 3 290.382 3.009 20 30 CGEDHN CC#CCN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528578739 375904875 /nfs/dbraw/zinc/90/48/75/375904875.db2.gz QCEJMHIXNMEWOP-UHFFFAOYSA-N 0 3 287.407 3.005 20 30 CGEDHN C#CCCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000193672221 375906122 /nfs/dbraw/zinc/90/61/22/375906122.db2.gz HSIKEDISPGRNFL-AWEZNQCLSA-N 0 3 251.757 3.031 20 30 CGEDHN C=CCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000336723575 375921022 /nfs/dbraw/zinc/92/10/22/375921022.db2.gz YSXSNMAMPSMQSG-UHFFFAOYSA-N 0 3 254.717 3.304 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529719765 375934108 /nfs/dbraw/zinc/93/41/08/375934108.db2.gz QCYLDXPFRRSEEU-NVXWUHKLSA-N 0 3 278.440 3.112 20 30 CGEDHN CCO[C@H](CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000194467395 376006103 /nfs/dbraw/zinc/00/61/03/376006103.db2.gz QHYWDYWWDUZXFX-GOSISDBHSA-N 0 3 280.371 3.426 20 30 CGEDHN C=C(C)CN(CC)CCCn1c2ccccc2[nH]c1=O ZINC000536540525 376095044 /nfs/dbraw/zinc/09/50/44/376095044.db2.gz ADBACTURLXGTNE-UHFFFAOYSA-N 0 3 273.380 3.030 20 30 CGEDHN C=CCCc1ccccc1NC(=O)NCC1=CCN(C)CC1 ZINC000337525238 376226923 /nfs/dbraw/zinc/22/69/23/376226923.db2.gz BBSDGXAWEDIDQK-UHFFFAOYSA-N 0 3 299.418 3.189 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cccc(C#N)c1F ZINC000222572006 376238437 /nfs/dbraw/zinc/23/84/37/376238437.db2.gz MPOHCWUYOAGAEK-CJNGLKHVSA-N 0 3 290.382 3.213 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000337939968 376249148 /nfs/dbraw/zinc/24/91/48/376249148.db2.gz AQWQFOVITSYGPA-QGZVFWFLSA-N 0 3 297.402 3.152 20 30 CGEDHN C=CCOc1ccccc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000539834626 376340154 /nfs/dbraw/zinc/34/01/54/376340154.db2.gz IYRCUFCXRYPZQC-GASCZTMLSA-N 0 3 257.377 3.339 20 30 CGEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000338345615 376343345 /nfs/dbraw/zinc/34/33/45/376343345.db2.gz FSLCEDBYWBWHGK-UHFFFAOYSA-N 0 3 295.342 3.141 20 30 CGEDHN C=C(CC)CN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000540202873 376365693 /nfs/dbraw/zinc/36/56/93/376365693.db2.gz NTRZAYDKPISWGK-UHFFFAOYSA-N 0 3 253.386 3.006 20 30 CGEDHN CC(C)CCCN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000338448020 376378877 /nfs/dbraw/zinc/37/88/77/376378877.db2.gz UFMVHIDRTVFPOH-QGZVFWFLSA-N 0 3 299.418 3.079 20 30 CGEDHN Cc1cnccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000229661295 376469660 /nfs/dbraw/zinc/46/96/60/376469660.db2.gz GPXQOOZMQDHSNJ-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN N#Cc1ccc(C(F)(F)F)c(NCCN2CC=CCC2)c1 ZINC000338713646 376496627 /nfs/dbraw/zinc/49/66/27/376496627.db2.gz UEEXSZAIGYGPOE-UHFFFAOYSA-N 0 3 295.308 3.251 20 30 CGEDHN OC[C@@H](NCC#Cc1ccccc1Cl)C1CCCCC1 ZINC000541980724 376499865 /nfs/dbraw/zinc/49/98/65/376499865.db2.gz KROABGSFVYPUON-QGZVFWFLSA-N 0 3 291.822 3.222 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCc1cccc(C#N)c1F ZINC000233848238 376605412 /nfs/dbraw/zinc/60/54/12/376605412.db2.gz QLXHRDVWSPFCEX-ZIAGYGMSSA-N 0 3 278.396 3.461 20 30 CGEDHN CSc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000232314321 376579216 /nfs/dbraw/zinc/57/92/16/376579216.db2.gz MCWYKQPJNDWYIR-GFCCVEGCSA-N 0 3 285.416 3.469 20 30 CGEDHN COc1cc(CN2C[C@H](C)CC[C@@H]2C)ccc1C#N ZINC000235008860 376629921 /nfs/dbraw/zinc/62/99/21/376629921.db2.gz CCATXZQKULHXFW-OLZOCXBDSA-N 0 3 258.365 3.187 20 30 CGEDHN CC(C)n1cc([C@H](C)NCCOc2ccccc2C#N)cn1 ZINC000543502611 376650477 /nfs/dbraw/zinc/65/04/77/376650477.db2.gz DXUVTOAITSGSDG-AWEZNQCLSA-N 0 3 298.390 3.065 20 30 CGEDHN C=CCC(C)(C)CNCc1cnnn1Cc1ccccc1 ZINC000339417074 376753430 /nfs/dbraw/zinc/75/34/30/376753430.db2.gz QHUGZGIUAVGQFA-UHFFFAOYSA-N 0 3 284.407 3.018 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)o2)[C@@H](C)[C@H]1OC ZINC000245609777 376867660 /nfs/dbraw/zinc/86/76/60/376867660.db2.gz NLBJVTMFIIFSTR-KCPJHIHWSA-N 0 3 276.380 3.081 20 30 CGEDHN N#Cc1cccc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340106080 376918394 /nfs/dbraw/zinc/91/83/94/376918394.db2.gz QPTBQXRDVVEEQN-KRWDZBQOSA-N 0 3 263.344 3.194 20 30 CGEDHN CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N ZINC000245861947 376919861 /nfs/dbraw/zinc/91/98/61/376919861.db2.gz IVOKBIXIMZVLFN-ZMLRMANQSA-N 0 3 291.395 3.119 20 30 CGEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(C#N)c1 ZINC000246203555 376987463 /nfs/dbraw/zinc/98/74/63/376987463.db2.gz WKCBDCMBNGMBTE-FRFSOERESA-N 0 3 297.402 3.150 20 30 CGEDHN CC[C@H](N[C@H](C)c1cc[nH]c(=O)c1)c1ccc(C#N)cc1 ZINC000340443140 377060716 /nfs/dbraw/zinc/06/07/16/377060716.db2.gz DHAYMCRWBPJGAM-WBMJQRKESA-N 0 3 281.359 3.461 20 30 CGEDHN CCC[C@@H]1CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000561405994 377226623 /nfs/dbraw/zinc/22/66/23/377226623.db2.gz QPAWJWBWNSQDNB-YPMHNXCESA-N 0 3 263.410 3.463 20 30 CGEDHN C=CCCNCc1cc(OC)c(OC)cc1SC ZINC000161745335 542161409 /nfs/dbraw/zinc/16/14/09/542161409.db2.gz OOUQARWERYYPNI-UHFFFAOYSA-N 0 3 267.394 3.091 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCS[C@H](C)CC1 ZINC000249035186 377446763 /nfs/dbraw/zinc/44/67/63/377446763.db2.gz MMTIFGPKZHCDGT-CHWSQXEVSA-N 0 3 260.406 3.447 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CCCCC3)C2)nc1 ZINC000563354215 377446951 /nfs/dbraw/zinc/44/69/51/377446951.db2.gz HUYJHAHNGZSLFW-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN Cc1cc(C)c(C#N)c(NCCN2[C@H](C)CCC[C@H]2C)n1 ZINC000341113405 377403387 /nfs/dbraw/zinc/40/33/87/377403387.db2.gz YUUBQMQWSGBZOJ-HUUCEWRRSA-N 0 3 286.423 3.245 20 30 CGEDHN CC(C)C(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000567510523 377507218 /nfs/dbraw/zinc/50/72/18/377507218.db2.gz FBMBGOGZODUMLA-HNNXBMFYSA-N 0 3 272.392 3.310 20 30 CGEDHN C[C@@H](O)[C@H](NC1CCC(C)(C#N)CC1)c1ccccc1F ZINC000568034336 377513639 /nfs/dbraw/zinc/51/36/39/377513639.db2.gz PPABDLYPTPGBHG-BKEMPNMISA-N 0 3 290.382 3.310 20 30 CGEDHN C=CCCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570898128 377539293 /nfs/dbraw/zinc/53/92/93/377539293.db2.gz IIPDEZOOGVSEMU-UHFFFAOYSA-N 0 3 260.337 3.309 20 30 CGEDHN COc1cccc(C(C)(C)CNC[C@H](C#N)CCC#N)c1 ZINC000573311833 377555977 /nfs/dbraw/zinc/55/59/77/377555977.db2.gz RSIBYTZOWXPXKY-AWEZNQCLSA-N 0 3 285.391 3.006 20 30 CGEDHN C=CC[C@@H](CC)NCc1nccn1Cc1ccccc1 ZINC000341464290 377574826 /nfs/dbraw/zinc/57/48/26/377574826.db2.gz OMOPHVYLVXPRFW-MRXNPFEDSA-N 0 3 269.392 3.376 20 30 CGEDHN N#Cc1cccc(CCNCc2cc(F)c(F)cc2F)c1 ZINC000341491253 377590956 /nfs/dbraw/zinc/59/09/56/377590956.db2.gz SKWJIYIJMPUVQH-UHFFFAOYSA-N 0 3 290.288 3.308 20 30 CGEDHN CC#CCN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341654629 377610182 /nfs/dbraw/zinc/61/01/82/377610182.db2.gz FUPVXHDJDXREMG-ZDUSSCGKSA-N 0 3 261.365 3.156 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1cccs1)C1CC1 ZINC000342475233 377651788 /nfs/dbraw/zinc/65/17/88/377651788.db2.gz AOMHUJOVZLZZST-INIZCTEOSA-N 0 3 292.448 3.213 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000574517269 377673254 /nfs/dbraw/zinc/67/32/54/377673254.db2.gz JJWGHJCXWNBBEZ-UHFFFAOYSA-N 0 3 274.261 3.375 20 30 CGEDHN C=CCCN(C)CC(=O)N(CCC)Cc1ccc(C)cc1 ZINC000342727161 377757716 /nfs/dbraw/zinc/75/77/16/377757716.db2.gz AZNUHJXTXJXNKK-UHFFFAOYSA-N 0 3 288.435 3.242 20 30 CGEDHN CC(C)(C)c1ccc(CCNCC2(C#N)CC2)cc1 ZINC000258966444 377802712 /nfs/dbraw/zinc/80/27/12/377802712.db2.gz SIIYVIAPIWALOU-UHFFFAOYSA-N 0 3 256.393 3.420 20 30 CGEDHN Cc1ccc(CSCCNCc2ccc(C#N)o2)cc1 ZINC000342847087 377834761 /nfs/dbraw/zinc/83/47/61/377834761.db2.gz AIACLEPFOYBIBH-UHFFFAOYSA-N 0 3 286.400 3.483 20 30 CGEDHN Cc1ccc2ncc(CN[C@@H](C)c3ccc(C#N)cc3)n2c1 ZINC000343153719 377915657 /nfs/dbraw/zinc/91/56/57/377915657.db2.gz MNFKXLHSXMUAAN-AWEZNQCLSA-N 0 3 290.370 3.365 20 30 CGEDHN CN(C)c1cccc(CN(C)Cc2ccc(CC#N)cc2)c1 ZINC000343413031 377974550 /nfs/dbraw/zinc/97/45/50/377974550.db2.gz GXJNCNBQXQMVJO-UHFFFAOYSA-N 0 3 293.414 3.451 20 30 CGEDHN C=CCC(CC=C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000343613589 378041822 /nfs/dbraw/zinc/04/18/22/378041822.db2.gz OGAPUUQEPZVSRP-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000343725236 378075621 /nfs/dbraw/zinc/07/56/21/378075621.db2.gz NKPYRMUGCUHVCG-GOSISDBHSA-N 0 3 277.371 3.485 20 30 CGEDHN C#CCCCN[C@@H]1CCOc2c(Br)cccc21 ZINC000268902959 378147217 /nfs/dbraw/zinc/14/72/17/378147217.db2.gz DFENPLFJMKVUEE-CYBMUJFWSA-N 0 3 294.192 3.276 20 30 CGEDHN C=C(C)CCN1CCN(c2nccc3sccc32)CC1 ZINC000343992808 378150436 /nfs/dbraw/zinc/15/04/36/378150436.db2.gz NVLSSUBRILYLDZ-UHFFFAOYSA-N 0 3 287.432 3.385 20 30 CGEDHN COc1ccc2c(c1F)CC[C@H]2NCC1(CC#N)CC1 ZINC000344001986 378150507 /nfs/dbraw/zinc/15/05/07/378150507.db2.gz CDZQXIKRGDAOOB-CYBMUJFWSA-N 0 3 274.339 3.105 20 30 CGEDHN N#CCCCN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000343801844 378096622 /nfs/dbraw/zinc/09/66/22/378096622.db2.gz UUZHRLKLTMHGKM-HNNXBMFYSA-N 0 3 253.349 3.439 20 30 CGEDHN C=CCN1CCC(N[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269878374 378276647 /nfs/dbraw/zinc/27/66/47/378276647.db2.gz QQRZBLPQQCJKDM-MRXNPFEDSA-N 0 3 292.373 3.192 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)ccc2C)CC1 ZINC000269974943 378289960 /nfs/dbraw/zinc/28/99/60/378289960.db2.gz ULVRPILTAJGXHQ-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](CC2CC2)C1 ZINC000580353195 378244866 /nfs/dbraw/zinc/24/48/66/378244866.db2.gz ZSBWVFIGZFCVKN-ROUUACIJSA-N 0 3 296.414 3.408 20 30 CGEDHN C#CC[C@@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000270249552 378326924 /nfs/dbraw/zinc/32/69/24/378326924.db2.gz UFHNKTMXEDPVFK-QGZVFWFLSA-N 0 3 293.366 3.312 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000270532868 378364271 /nfs/dbraw/zinc/36/42/71/378364271.db2.gz VGNUNSDJXKVKPT-CGTJXYLNSA-N 0 3 299.414 3.299 20 30 CGEDHN C#CCCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000270684455 378387385 /nfs/dbraw/zinc/38/73/85/378387385.db2.gz ZENDQGIKLLUDHT-UHFFFAOYSA-N 0 3 255.361 3.198 20 30 CGEDHN C#CCCCN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000271077759 378448805 /nfs/dbraw/zinc/44/88/05/378448805.db2.gz XHKFPGWMNCJTHM-QGZVFWFLSA-N 0 3 287.403 3.090 20 30 CGEDHN C#CCCCN(C)[C@H](C)c1sc(CC)nc1C ZINC000271027087 378431842 /nfs/dbraw/zinc/43/18/42/378431842.db2.gz KEQGSLCXFIMGHT-GFCCVEGCSA-N 0 3 250.411 3.420 20 30 CGEDHN C=C(C)COc1cc(CN[C@H]2CCSC2)ccc1OC ZINC000266124328 190232200 /nfs/dbraw/zinc/23/22/00/190232200.db2.gz BCBJWNMNSSXGDX-AWEZNQCLSA-N 0 3 293.432 3.245 20 30 CGEDHN C[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000271970980 378533590 /nfs/dbraw/zinc/53/35/90/378533590.db2.gz ULFDCVWLESTRSO-LRDDRELGSA-N 0 3 296.345 3.352 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H](OC)C1CCOCC1 ZINC000637870570 378608693 /nfs/dbraw/zinc/60/86/93/378608693.db2.gz CDTVAOYKKZVGKD-MRXNPFEDSA-N 0 3 295.448 3.178 20 30 CGEDHN C#CCN1CCC(C(=O)Nc2csc3ccccc23)CC1 ZINC000272482873 378648046 /nfs/dbraw/zinc/64/80/46/378648046.db2.gz SVWHWKGVOGOERZ-UHFFFAOYSA-N 0 3 298.411 3.185 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000348027814 378757890 /nfs/dbraw/zinc/75/78/90/378757890.db2.gz GKTLGBFWHHJPKQ-MRXNPFEDSA-N 0 3 299.418 3.175 20 30 CGEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000274218410 378793418 /nfs/dbraw/zinc/79/34/18/378793418.db2.gz NBFDRUCXSNABCD-KGLIPLIRSA-N 0 3 278.421 3.301 20 30 CGEDHN C=CCOCCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000348029063 378758413 /nfs/dbraw/zinc/75/84/13/378758413.db2.gz GTYCXMBLUPVQDY-AWEZNQCLSA-N 0 3 293.432 3.378 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(CC)nc1 ZINC000348128781 378803310 /nfs/dbraw/zinc/80/33/10/378803310.db2.gz BXWQCNLMIWQQGV-UHFFFAOYSA-N 0 3 270.376 3.468 20 30 CGEDHN C=C(C)CN(C)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000638910116 378949033 /nfs/dbraw/zinc/94/90/33/378949033.db2.gz NHCCOBJXUQUILW-AWEZNQCLSA-N 0 3 261.365 3.199 20 30 CGEDHN CCS[C@H]1CCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000348480632 378966078 /nfs/dbraw/zinc/96/60/78/378966078.db2.gz RVACMVUVGUQHEC-GJZGRUSLSA-N 0 3 278.396 3.461 20 30 CGEDHN Cn1cc(CN2CC[C@H](c3cccc(F)c3)C2)cc1C#N ZINC000276787899 378998157 /nfs/dbraw/zinc/99/81/57/378998157.db2.gz RZDXYVCFBIRAPM-HNNXBMFYSA-N 0 3 283.350 3.025 20 30 CGEDHN N#Cc1ccccc1OCCN1CC[C@H](c2ccco2)C1 ZINC000370290840 379003597 /nfs/dbraw/zinc/00/35/97/379003597.db2.gz XCGRCFHWHGCHGG-HNNXBMFYSA-N 0 3 282.343 3.020 20 30 CGEDHN CCCN(CCN1CCCCC1)Cc1ccc(C#N)s1 ZINC000348878908 379095548 /nfs/dbraw/zinc/09/55/48/379095548.db2.gz RFOYNXPDJPWSCJ-UHFFFAOYSA-N 0 3 291.464 3.318 20 30 CGEDHN CC[C@H](NCc1cccc(CO)c1)c1ccc(C#N)cc1 ZINC000278745084 194136214 /nfs/dbraw/zinc/13/62/14/194136214.db2.gz NNORYYBAZYWKCS-SFHVURJKSA-N 0 3 280.371 3.291 20 30 CGEDHN CCN(CCC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000371566091 379168331 /nfs/dbraw/zinc/16/83/31/379168331.db2.gz RPQXBGXAVCHEEW-NVXWUHKLSA-N 0 3 271.408 3.057 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000373228556 379246087 /nfs/dbraw/zinc/24/60/87/379246087.db2.gz JOOBADMJOZVLFN-HNNXBMFYSA-N 0 3 293.455 3.001 20 30 CGEDHN CC[C@H](NC[C@@H](O)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278902254 194204553 /nfs/dbraw/zinc/20/45/53/194204553.db2.gz ZLJRRXMKNWSVIL-JKSUJKDBSA-N 0 3 284.359 3.234 20 30 CGEDHN N#Cc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000349613718 379318227 /nfs/dbraw/zinc/31/82/27/379318227.db2.gz FKZNTRHEONWDJP-GOSISDBHSA-N 0 3 295.430 3.032 20 30 CGEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CCC=CO3)CC2)cc1 ZINC000278294559 379339708 /nfs/dbraw/zinc/33/97/08/379339708.db2.gz VHISFKLGOFSWSR-SFHVURJKSA-N 0 3 298.386 3.094 20 30 CGEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC(F)F ZINC000349830004 379409448 /nfs/dbraw/zinc/40/94/48/379409448.db2.gz QCHFRIFMGAYMSK-CMPLNLGQSA-N 0 3 296.317 3.078 20 30 CGEDHN C=CCCCNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000279754962 379507578 /nfs/dbraw/zinc/50/75/78/379507578.db2.gz CZNOWMAGFQTAIX-UHFFFAOYSA-N 0 3 281.709 3.148 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000351828971 379745974 /nfs/dbraw/zinc/74/59/74/379745974.db2.gz KLNIQCKPEDNYOX-GOSISDBHSA-N 0 3 298.430 3.333 20 30 CGEDHN C=C(CC)CN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352404865 379800324 /nfs/dbraw/zinc/80/03/24/379800324.db2.gz DYFVEJBAHDYUMG-QGZVFWFLSA-N 0 3 291.391 3.029 20 30 CGEDHN C=C(C)CCN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352409450 379801998 /nfs/dbraw/zinc/80/19/98/379801998.db2.gz ZUZGTVFQBAJRTL-QGZVFWFLSA-N 0 3 291.391 3.029 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000280656905 379756549 /nfs/dbraw/zinc/75/65/49/379756549.db2.gz OSSAQWGXRIDXLM-WMLDXEAASA-N 0 3 275.392 3.080 20 30 CGEDHN C=C1CC(C)(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000640299026 379768752 /nfs/dbraw/zinc/76/87/52/379768752.db2.gz JPDJQPZAFHCNTG-UONOGXRCSA-N 0 3 290.407 3.181 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(CC)o1 ZINC000280731759 379775922 /nfs/dbraw/zinc/77/59/22/379775922.db2.gz GXSRPVZUMWRIKR-IOASZLSFSA-N 0 3 263.381 3.474 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)Nc2csc(C)c2)CC1 ZINC000640646125 379838051 /nfs/dbraw/zinc/83/80/51/379838051.db2.gz VDGSLEWLJWMUSQ-UHFFFAOYSA-N 0 3 293.436 3.219 20 30 CGEDHN CO[C@](C)(CNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000404250698 379978532 /nfs/dbraw/zinc/97/85/32/379978532.db2.gz KHVKBEVBRBVAQR-GOSISDBHSA-N 0 3 298.361 3.349 20 30 CGEDHN N#Cc1csc(CNC2CCC(C(F)(F)F)CC2)n1 ZINC000352833194 379991309 /nfs/dbraw/zinc/99/13/09/379991309.db2.gz GYHJXPWEOKTUNB-UHFFFAOYSA-N 0 3 289.326 3.225 20 30 CGEDHN CC(C)(C)OC1CC(CCNCc2nc(C#N)cs2)C1 ZINC000352861351 380009663 /nfs/dbraw/zinc/00/96/63/380009663.db2.gz HFQULIJMXARJNT-UHFFFAOYSA-N 0 3 293.436 3.088 20 30 CGEDHN C[C@@H]1CSCCN1CCC1(C#N)CCCCC1 ZINC000411300428 380138890 /nfs/dbraw/zinc/13/88/90/380138890.db2.gz XLRJPHCASGRIFE-CYBMUJFWSA-N 0 3 252.427 3.288 20 30 CGEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000410594707 380107912 /nfs/dbraw/zinc/10/79/12/380107912.db2.gz VFQSIKOTZQOEJR-KBXCAEBGSA-N 0 3 297.402 3.079 20 30 CGEDHN CC(C)(CC#N)CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000414163473 380195335 /nfs/dbraw/zinc/19/53/35/380195335.db2.gz ITAVCJTZRYSJKZ-CQSZACIVSA-N 0 3 261.344 3.201 20 30 CGEDHN CO[C@H](c1ccccc1)[C@@H](C)NCC(C)(C)CC#N ZINC000414167818 380197374 /nfs/dbraw/zinc/19/73/74/380197374.db2.gz PTMUOIBUPMYVQC-HIFRSBDPSA-N 0 3 260.381 3.292 20 30 CGEDHN C=CCC[C@@H](NCc1nnc(C2CC2)s1)C1CC1 ZINC000414321803 380213180 /nfs/dbraw/zinc/21/31/80/380213180.db2.gz FNUAVKUNQRGTOI-GFCCVEGCSA-N 0 3 263.410 3.250 20 30 CGEDHN C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000353598887 380215496 /nfs/dbraw/zinc/21/54/96/380215496.db2.gz VAPLCMSTBWVTCC-RNCFNFMXSA-N 0 3 268.282 3.334 20 30 CGEDHN C=CCOCCN[C@H](CN1CCCCC1)c1ccccc1 ZINC000645116041 380587312 /nfs/dbraw/zinc/58/73/12/380587312.db2.gz BTDAYRLPQUPDOT-GOSISDBHSA-N 0 3 288.435 3.006 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000355141863 380597374 /nfs/dbraw/zinc/59/73/74/380597374.db2.gz YOWIMCLFHFXFNJ-IAGOWNOFSA-N 0 3 287.403 3.252 20 30 CGEDHN CO[C@@H](CC(C)C)CN(C)Cc1ccc(C#N)cc1 ZINC000419207605 380778207 /nfs/dbraw/zinc/77/82/07/380778207.db2.gz UGBPIKVSEVSYAK-INIZCTEOSA-N 0 3 260.381 3.051 20 30 CGEDHN COCCCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000419380679 380824367 /nfs/dbraw/zinc/82/43/67/380824367.db2.gz GVVJQRHQSXDPRB-UHFFFAOYSA-N 0 3 265.784 3.050 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420988851 380865994 /nfs/dbraw/zinc/86/59/94/380865994.db2.gz BAGHAZGNGKWNOU-KBPBESRZSA-N 0 3 269.335 3.300 20 30 CGEDHN C[C@@H]1CC2(CN1CC#Cc1ccc(F)cc1)CCOCC2 ZINC000646098407 380834587 /nfs/dbraw/zinc/83/45/87/380834587.db2.gz VVFSQHYVGTYHKB-OAHLLOKOSA-N 0 3 287.378 3.068 20 30 CGEDHN C=CCN(CC=C)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000357244793 381083154 /nfs/dbraw/zinc/08/31/54/381083154.db2.gz FOKJVVQDJNNIFT-UHFFFAOYSA-N 0 3 298.430 3.485 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC000357824313 381283592 /nfs/dbraw/zinc/28/35/92/381283592.db2.gz XPUGTHPITDQRLW-UHFFFAOYSA-N 0 3 294.345 3.004 20 30 CGEDHN C=C(CC)CN(CCCO)Cc1cccc(Cl)c1 ZINC000358620272 381318925 /nfs/dbraw/zinc/31/89/25/381318925.db2.gz KUHGRVPTESMGMC-UHFFFAOYSA-N 0 3 267.800 3.491 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000360152901 381460849 /nfs/dbraw/zinc/46/08/49/381460849.db2.gz ZKDORQZCFKGIFK-LLVKDONJSA-N 0 3 274.345 3.030 20 30 CGEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000360152902 381461628 /nfs/dbraw/zinc/46/16/28/381461628.db2.gz ZKDORQZCFKGIFK-NSHDSACASA-N 0 3 274.345 3.030 20 30 CGEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(F)c1 ZINC000361440935 381746955 /nfs/dbraw/zinc/74/69/55/381746955.db2.gz RPKRFIBRIGMSOP-AAEUAGOBSA-N 0 3 262.328 3.006 20 30 CGEDHN Cc1c[nH]cc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000361542340 381793102 /nfs/dbraw/zinc/79/31/02/381793102.db2.gz YCBHARLJIXXABM-AWEZNQCLSA-N 0 3 275.311 3.361 20 30 CGEDHN CN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000361469591 381760317 /nfs/dbraw/zinc/76/03/17/381760317.db2.gz MVGRSKIMZJKHTQ-OAHLLOKOSA-N 0 3 285.391 3.007 20 30 CGEDHN C[C@@H]1CC[C@H](C)CN1Cc1cn2ccccc2c1C#N ZINC000362439835 381990727 /nfs/dbraw/zinc/99/07/27/381990727.db2.gz PMPMWFYZXMAWCT-UONOGXRCSA-N 0 3 267.376 3.431 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000367044510 382331386 /nfs/dbraw/zinc/33/13/86/382331386.db2.gz WJUOTQNTOZNVDR-GXTWGEPZSA-N 0 3 250.773 3.450 20 30 CGEDHN CN(CCCCC(C)(C)C#N)[C@@H]1CCCc2c1cnn2C ZINC000369000803 382385260 /nfs/dbraw/zinc/38/52/60/382385260.db2.gz JMIDZQYVYFEOOE-OAHLLOKOSA-N 0 3 288.439 3.449 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCC[C@H](F)C2)c(F)c1 ZINC000335374701 208308996 /nfs/dbraw/zinc/30/89/96/208308996.db2.gz ZJNZVYIPUVQLKC-STQMWFEESA-N 0 3 250.292 3.068 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000347138507 533115598 /nfs/dbraw/zinc/11/55/98/533115598.db2.gz RELZZNVBGZZBGA-IUCAKERBSA-N 0 3 285.174 3.200 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1ccc(Cl)s1 ZINC000309538183 542425160 /nfs/dbraw/zinc/42/51/60/542425160.db2.gz FLGLMNNZBXEEFK-NXEZZACHSA-N 0 3 259.802 3.379 20 30 CGEDHN COc1cc(CN[C@@H]2CC(C)(C)OC2(C)C)ccc1C#N ZINC000281564655 195290712 /nfs/dbraw/zinc/29/07/12/195290712.db2.gz CFQSOLZMTFRETA-OAHLLOKOSA-N 0 3 288.391 3.003 20 30 CGEDHN C[C@@H](NCCc1nccs1)c1ccc(C#N)cc1F ZINC000358566649 533406319 /nfs/dbraw/zinc/40/63/19/533406319.db2.gz BIPVNDMQLJPHCO-SNVBAGLBSA-N 0 3 275.352 3.047 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccc(C#N)c(F)c1 ZINC000427980523 533416890 /nfs/dbraw/zinc/41/68/90/533416890.db2.gz UEGATGMKYVJNIU-RISCZKNCSA-N 0 3 276.355 3.306 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)[C@H]2CCCCO2)cc1 ZINC000381718268 542598581 /nfs/dbraw/zinc/59/85/81/542598581.db2.gz TXMICHFNSIITBU-RHSMWYFYSA-N 0 3 275.392 3.299 20 30 CGEDHN C=CCOCCN[C@@H](C)c1cc(Br)cs1 ZINC000389417976 542608252 /nfs/dbraw/zinc/60/82/52/542608252.db2.gz WTPRZWMQGNWHRT-VIFPVBQESA-N 0 3 290.226 3.364 20 30 CGEDHN CCOc1cccc([C@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000190905328 130161374 /nfs/dbraw/zinc/16/13/74/130161374.db2.gz UIIHPLVRQXFEAQ-ZDUSSCGKSA-N 0 3 283.375 3.146 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1nccs1)C(C)C ZINC000093396942 392237042 /nfs/dbraw/zinc/23/70/42/392237042.db2.gz ARDLTAKDFIYORM-LSDHHAIUSA-N 0 3 293.480 3.492 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cc(C)on1)C(C)C ZINC000284217948 392311178 /nfs/dbraw/zinc/31/11/78/392311178.db2.gz TVUQCNMXHFTBGB-NVXWUHKLSA-N 0 3 291.439 3.332 20 30 CGEDHN C#CCCOc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000285224668 392318373 /nfs/dbraw/zinc/31/83/73/392318373.db2.gz RXGPWBXEWPSXLH-OALUTQOASA-N 0 3 299.414 3.232 20 30 CGEDHN C=CCN1CCC(N[C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000282439458 392291168 /nfs/dbraw/zinc/29/11/68/392291168.db2.gz ZIWBONOSLMJUTH-ZDUSSCGKSA-N 0 3 262.397 3.197 20 30 CGEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H](CCO)c1ccccc1 ZINC000361834506 392337398 /nfs/dbraw/zinc/33/73/98/392337398.db2.gz UIDGVMJTAPOSMB-SFHVURJKSA-N 0 3 298.361 3.253 20 30 CGEDHN C=CCC[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccco1 ZINC000285513930 392324962 /nfs/dbraw/zinc/32/49/62/392324962.db2.gz AVESJYRPGPZVRL-BPUTZDHNSA-N 0 3 274.408 3.359 20 30 CGEDHN C=CCC[C@@H](NCC1CCN(C(C)=O)CC1)c1ccco1 ZINC000285537213 392325132 /nfs/dbraw/zinc/32/51/32/392325132.db2.gz BYABWKYMMSRMGG-MRXNPFEDSA-N 0 3 290.407 3.135 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCO2 ZINC000109829428 392375047 /nfs/dbraw/zinc/37/50/47/392375047.db2.gz OPHGCIPLIJZFCW-UHFFFAOYSA-N 0 3 278.355 3.125 20 30 CGEDHN C=CCC[C@H](NCC(C)(C)CCO)c1ccco1 ZINC000286378112 392381912 /nfs/dbraw/zinc/38/19/12/392381912.db2.gz ZWYHUXOFURWJIQ-ZDUSSCGKSA-N 0 3 251.370 3.285 20 30 CGEDHN Cc1ccc([C@@H](CNc2ccc(C#N)cn2)N2CCCC2)o1 ZINC000263691228 131309355 /nfs/dbraw/zinc/30/93/55/131309355.db2.gz JULBTBDTBUUSCU-OAHLLOKOSA-N 0 3 296.374 3.104 20 30 CGEDHN C=CCCCCCN1C[C@@H](C)OC2(CCOCC2)C1 ZINC000366093016 392449747 /nfs/dbraw/zinc/44/97/47/392449747.db2.gz NTELAVIQKMNMGZ-OAHLLOKOSA-N 0 3 267.413 3.003 20 30 CGEDHN C=CCCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000121163989 392409141 /nfs/dbraw/zinc/40/91/41/392409141.db2.gz ZKSVSWIFWPDXNQ-OAHLLOKOSA-N 0 3 274.408 3.104 20 30 CGEDHN CC#CCN(C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000293307236 392523946 /nfs/dbraw/zinc/52/39/46/392523946.db2.gz WUBCDHQPOAPZPR-UHFFFAOYSA-N 0 3 286.419 3.286 20 30 CGEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000298459000 392575575 /nfs/dbraw/zinc/57/55/75/392575575.db2.gz KSCJRQUMVGFLQF-LLVKDONJSA-N 0 3 293.798 3.126 20 30 CGEDHN C[C@@H](c1ccncc1)N(C)CCOc1cccc(C#N)c1 ZINC000171963240 392617525 /nfs/dbraw/zinc/61/75/25/392617525.db2.gz RWEODZRBCDHFFT-AWEZNQCLSA-N 0 3 281.359 3.025 20 30 CGEDHN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1CCCCC#N ZINC000374143158 392669721 /nfs/dbraw/zinc/66/97/21/392669721.db2.gz RMGSGJSFCLFCMK-JKSUJKDBSA-N 0 3 292.423 3.124 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)cc1Cl ZINC000320379476 392670886 /nfs/dbraw/zinc/67/08/86/392670886.db2.gz KSJQPWQEALDXBD-PWSUYJOCSA-N 0 3 271.763 3.457 20 30 CGEDHN C=C(C)COCCN[C@@H](CC(C)C)c1ccncc1 ZINC000647294094 392646231 /nfs/dbraw/zinc/64/62/31/392646231.db2.gz NQUQERLBBJEIGZ-INIZCTEOSA-N 0 3 262.397 3.351 20 30 CGEDHN C=CCCOCCN[C@@H](CC(C)C)c1ccncc1 ZINC000647295710 392648033 /nfs/dbraw/zinc/64/80/33/392648033.db2.gz SKFSCFNSPHIFOI-INIZCTEOSA-N 0 3 262.397 3.351 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc2ccccc2o1 ZINC000182646138 392747783 /nfs/dbraw/zinc/74/77/83/392747783.db2.gz BPJNWRMZQWKVIE-TZMCWYRMSA-N 0 3 259.349 3.411 20 30 CGEDHN CCOC(=O)CC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192125096 392837931 /nfs/dbraw/zinc/83/79/31/392837931.db2.gz YROGLHJKRURVME-SFHVURJKSA-N 0 3 299.414 3.093 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCS[C@H](C(C)C)C1 ZINC000186245762 392779869 /nfs/dbraw/zinc/77/98/69/392779869.db2.gz CTYJIAWYSZGGDD-INIZCTEOSA-N 0 3 274.433 3.440 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1OC)CC1CCC1 ZINC000338326008 392908463 /nfs/dbraw/zinc/90/84/63/392908463.db2.gz IIMTVHNMBCXTNR-UHFFFAOYSA-N 0 3 275.392 3.492 20 30 CGEDHN Cc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000192855126 392862866 /nfs/dbraw/zinc/86/28/66/392862866.db2.gz NYQVBLNKJHZQQX-CQSZACIVSA-N 0 3 293.370 3.156 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(C)cc1-c1ccnn1C ZINC000338953961 392938089 /nfs/dbraw/zinc/93/80/89/392938089.db2.gz XCGCBMQARCAIBQ-UHFFFAOYSA-N 0 3 299.418 3.030 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](Oc3ccccc3)C2)C1 ZINC000338997596 392939577 /nfs/dbraw/zinc/93/95/77/392939577.db2.gz PJQXOBFQGCZPJT-INMHGKMJSA-N 0 3 270.376 3.222 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000339072095 392945614 /nfs/dbraw/zinc/94/56/14/392945614.db2.gz PAIJZOJEUMXHFP-AWEZNQCLSA-N 0 3 285.391 3.034 20 30 CGEDHN COc1cccc([C@H]2C[C@@H](C)CN2CCOCCC#N)c1 ZINC000339084191 392946900 /nfs/dbraw/zinc/94/69/00/392946900.db2.gz NTWHIQYEXMWAPE-RHSMWYFYSA-N 0 3 288.391 3.008 20 30 CGEDHN CC1(C)CCC[C@H]1CCNCc1nc(C#N)cs1 ZINC000527726701 392958166 /nfs/dbraw/zinc/95/81/66/392958166.db2.gz CVJHNGIWUYCKAB-NSHDSACASA-N 0 3 263.410 3.321 20 30 CGEDHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000527998259 392962906 /nfs/dbraw/zinc/96/29/06/392962906.db2.gz LAGSGQGERWXZMK-MAZHCROVSA-N 0 3 258.365 3.165 20 30 CGEDHN C[C@H](CCC#N)N1CC2(CCCC2)OC(C)(C)C1 ZINC000411626104 392982556 /nfs/dbraw/zinc/98/25/56/392982556.db2.gz WHBLLCAGRGTOCT-CYBMUJFWSA-N 0 3 250.386 3.102 20 30 CGEDHN N#Cc1ccc(OCCNC2(c3ccc(F)cc3)CC2)cc1 ZINC000533526942 392996275 /nfs/dbraw/zinc/99/62/75/392996275.db2.gz VYGLDOWIJSVNHT-UHFFFAOYSA-N 0 3 296.345 3.355 20 30 CGEDHN CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000533494191 392996845 /nfs/dbraw/zinc/99/68/45/392996845.db2.gz LZWJPRLSEXHALC-UHFFFAOYSA-N 0 3 296.374 3.229 20 30 CGEDHN Cc1ccccc1C[C@@H]1CCCN1CC1(C#N)CC1 ZINC000343306584 393024788 /nfs/dbraw/zinc/02/47/88/393024788.db2.gz VSOBURFBQYYQEX-INIZCTEOSA-N 0 3 254.377 3.306 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000346308168 393082794 /nfs/dbraw/zinc/08/27/94/393082794.db2.gz HUPRNDUROULRMA-INIZCTEOSA-N 0 3 290.366 3.301 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1ncccc1F)C(C)C ZINC000346232354 393079827 /nfs/dbraw/zinc/07/98/27/393079827.db2.gz FSDLBEOGYKFMEL-OAHLLOKOSA-N 0 3 277.387 3.331 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1ncccc1F)C(C)C ZINC000346232353 393080060 /nfs/dbraw/zinc/08/00/60/393080060.db2.gz FSDLBEOGYKFMEL-HNNXBMFYSA-N 0 3 277.387 3.331 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCc2nc3ccccc3s2)C1 ZINC000348902402 393134894 /nfs/dbraw/zinc/13/48/94/393134894.db2.gz CECMDHACPTXVAN-NEPJUHHUSA-N 0 3 271.389 3.121 20 30 CGEDHN CC(C)=CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000355226499 393269039 /nfs/dbraw/zinc/26/90/39/393269039.db2.gz ZGSBVXPEVZTNNE-UHFFFAOYSA-N 0 3 297.402 3.175 20 30 CGEDHN C=CCCCCN1CCc2c(cccc2NC(C)=O)C1 ZINC000649254068 393387515 /nfs/dbraw/zinc/38/75/15/393387515.db2.gz LOYQVZWAQASDFP-UHFFFAOYSA-N 0 3 272.392 3.359 20 30 CGEDHN CCC1CCC(N(CCO)Cc2ccccc2C#N)CC1 ZINC000488205078 393471142 /nfs/dbraw/zinc/47/11/42/393471142.db2.gz SSPOLMFJTKUULT-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN C=CC[C@H]1N(Cc2cc3n(n2)CCC3)CCCC1(C)C ZINC000649594089 393506444 /nfs/dbraw/zinc/50/64/44/393506444.db2.gz NNDIEHFLQKVGBN-MRXNPFEDSA-N 0 3 273.424 3.396 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359541952 393550067 /nfs/dbraw/zinc/55/00/67/393550067.db2.gz DZNAVPWDECDULU-XYJFISCASA-N 0 3 290.451 3.088 20 30 CGEDHN CCc1cnccc1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000361119945 393679261 /nfs/dbraw/zinc/67/92/61/393679261.db2.gz OGIWWQMWSZOEAG-AWEZNQCLSA-N 0 3 295.386 3.245 20 30 CGEDHN CN(C)[C@H]1CCOc2c(NCc3ccc(C#N)o3)cccc21 ZINC000433187254 393695614 /nfs/dbraw/zinc/69/56/14/393695614.db2.gz IUWWWRBGCLHLEU-INIZCTEOSA-N 0 3 297.358 3.149 20 30 CGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000443650373 393769796 /nfs/dbraw/zinc/76/97/96/393769796.db2.gz IVYFFQGBFYNQCW-RBSFLKMASA-N 0 3 299.418 3.253 20 30 CGEDHN C[C@H](NCCC[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000453392926 394229408 /nfs/dbraw/zinc/22/94/08/394229408.db2.gz ZAOGIBQYPHECSP-STQMWFEESA-N 0 3 276.355 3.165 20 30 CGEDHN C[C@H](NCCN1CCCC1(C)C)c1ccc(C#N)cc1F ZINC000453407670 394236491 /nfs/dbraw/zinc/23/64/91/394236491.db2.gz UYGNDAHKODXQJL-ZDUSSCGKSA-N 0 3 289.398 3.222 20 30 CGEDHN C=CC1CCN(Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000667623726 542899811 /nfs/dbraw/zinc/89/98/11/542899811.db2.gz CDBVZJUXERNPJG-HNNXBMFYSA-N 0 3 289.419 3.498 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667943545 542947598 /nfs/dbraw/zinc/94/75/98/542947598.db2.gz SUDRRILDVSLMDT-AWEZNQCLSA-N 0 3 263.381 3.108 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668078587 542966711 /nfs/dbraw/zinc/96/67/11/542966711.db2.gz PIWKGTNGZMNPDY-WMZOPIPTSA-N 0 3 287.403 3.395 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](c1ccc(F)cc1)C(C)C ZINC000669704042 543120530 /nfs/dbraw/zinc/12/05/30/543120530.db2.gz LLKWTDODYSXGJB-GJZGRUSLSA-N 0 3 251.345 3.049 20 30 CGEDHN C=CCCCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000117871524 397655842 /nfs/dbraw/zinc/65/58/42/397655842.db2.gz YPGWZONSGZBELE-UHFFFAOYSA-N 0 3 255.365 3.270 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCSC2)cc1Cl ZINC000619748614 397714726 /nfs/dbraw/zinc/71/47/26/397714726.db2.gz JUQPYAPVHAFFOU-LBPRGKRZSA-N 0 3 266.797 3.197 20 30 CGEDHN C=CCC[C@H](O)CN(CCOC)Cc1ccc(C)cc1C ZINC000675494237 543344347 /nfs/dbraw/zinc/34/43/47/543344347.db2.gz XFVDSFQWUCYETH-SFHVURJKSA-N 0 3 291.435 3.079 20 30 CGEDHN Cc1ccncc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000676103571 543382766 /nfs/dbraw/zinc/38/27/66/543382766.db2.gz CPFBBWUXCFFOHF-CQSZACIVSA-N 0 3 287.322 3.428 20 30 CGEDHN C=C(C)[C@@H](CO)N(CC)Cc1ccc(Cl)cc1 ZINC000678049515 543479164 /nfs/dbraw/zinc/47/91/64/543479164.db2.gz LEHAJNRRMFTWMW-CQSZACIVSA-N 0 3 253.773 3.099 20 30 CGEDHN C=CCOc1ccc(CN(CCCO)C2CC2)cc1Cl ZINC000678263157 543504423 /nfs/dbraw/zinc/50/44/23/543504423.db2.gz DKKREINZFHVEJO-UHFFFAOYSA-N 0 3 295.810 3.252 20 30 CGEDHN COCC#CCN[C@H](C)c1cccc2ccccc21 ZINC000678729013 543550545 /nfs/dbraw/zinc/55/05/45/543550545.db2.gz SLNMLIANRCBLDN-CQSZACIVSA-N 0 3 253.345 3.140 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCCCO1 ZINC000271927628 287050773 /nfs/dbraw/zinc/05/07/73/287050773.db2.gz FLNCLJXCSIBXAD-HWWQOWPSSA-N 0 3 276.355 3.306 20 30 CGEDHN Cc1ccc(CN(C)CCOc2ccc(C#N)cc2)s1 ZINC000076342821 165111951 /nfs/dbraw/zinc/11/19/51/165111951.db2.gz MEGARBINOHORQE-UHFFFAOYSA-N 0 3 286.400 3.439 20 30 CGEDHN Cc1nc(C)c(CN[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000080693179 165155987 /nfs/dbraw/zinc/15/59/87/165155987.db2.gz FDUBAHQXKPWJEE-JTQLQIEISA-N 0 3 271.389 3.482 20 30 CGEDHN COC[C@@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090997614 165249642 /nfs/dbraw/zinc/24/96/42/165249642.db2.gz BFIRBNFRBROICC-CQSZACIVSA-N 0 3 280.371 3.350 20 30 CGEDHN N#Cc1ccc(CNCCOC2CCCCCC2)cc1 ZINC000118454164 287161196 /nfs/dbraw/zinc/16/11/96/287161196.db2.gz AYIKWMRKSKXDKG-UHFFFAOYSA-N 0 3 272.392 3.387 20 30 CGEDHN C[C@@H](N[C@@H](C)c1cccnc1)c1cccc(C#N)c1 ZINC000037229072 173049329 /nfs/dbraw/zinc/04/93/29/173049329.db2.gz LSXWMGYTKPGWBZ-OLZOCXBDSA-N 0 3 251.333 3.365 20 30 CGEDHN C[C@@H]1SCCN(CCCOc2cccc(C#N)c2)[C@H]1C ZINC000127298557 287285097 /nfs/dbraw/zinc/28/50/97/287285097.db2.gz ZOVHINVMHSBWAR-KBPBESRZSA-N 0 3 290.432 3.153 20 30 CGEDHN C=CCOCCN[C@@H]1CCc2c1cccc2Cl ZINC000679462394 543637498 /nfs/dbraw/zinc/63/74/98/543637498.db2.gz CBPUFFUVWYVWIU-CQSZACIVSA-N 0 3 251.757 3.120 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](CC(C)C)c1cccs1 ZINC000680389862 543707270 /nfs/dbraw/zinc/70/72/70/543707270.db2.gz CWSDUDKFCXOESA-CHWSQXEVSA-N 0 3 253.411 3.362 20 30 CGEDHN COCC#CCN[C@H](Cc1ccccc1)c1cccs1 ZINC000680393524 543707777 /nfs/dbraw/zinc/70/77/77/543707777.db2.gz BKBKRVYWVCKVIA-MRXNPFEDSA-N 0 3 285.412 3.271 20 30 CGEDHN C=CCC[C@H](NCC1(OC)CCOCC1)c1ccco1 ZINC000682805869 543870252 /nfs/dbraw/zinc/87/02/52/543870252.db2.gz NLQCRVDHQNLJCP-AWEZNQCLSA-N 0 3 279.380 3.072 20 30 CGEDHN CC(C#N)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000335264040 226096078 /nfs/dbraw/zinc/09/60/78/226096078.db2.gz TYAQYRJOBCRMPC-LLVKDONJSA-N 0 3 290.313 3.130 20 30 CGEDHN C=CCOCCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000684205305 543972398 /nfs/dbraw/zinc/97/23/98/543972398.db2.gz OOZCXYIUHRJMFW-LBPRGKRZSA-N 0 3 280.437 3.265 20 30 CGEDHN N#CCCCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347347028 226121345 /nfs/dbraw/zinc/12/13/45/226121345.db2.gz QWBAMGLJEWDIAH-LSDHHAIUSA-N 0 3 290.432 3.181 20 30 CGEDHN C=C[C@@H]1CCCCN1CCOCc1ccc(OC)cc1 ZINC000683793094 543942847 /nfs/dbraw/zinc/94/28/47/543942847.db2.gz PGQBMPDDCUZDJV-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cscc1Cl ZINC000684767957 544027900 /nfs/dbraw/zinc/02/79/00/544027900.db2.gz VRHWLURIEFGWFI-GXFFZTMASA-N 0 3 271.813 3.472 20 30 CGEDHN CCC#C[C@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000685599291 544088006 /nfs/dbraw/zinc/08/80/06/544088006.db2.gz LOFULCNXAVAURH-MAUKXSAKSA-N 0 3 283.415 3.472 20 30 CGEDHN N#CC(C(=O)c1ccc(Cl)c(Cl)c1)c1ccncn1 ZINC000354469571 227006117 /nfs/dbraw/zinc/00/61/17/227006117.db2.gz RIIXICLDGJHVTH-SECBINFHSA-N 0 3 292.125 3.273 20 30 CGEDHN C=CCCC(C)(C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000664757996 419000011 /nfs/dbraw/zinc/00/00/11/419000011.db2.gz GIHJTEDHDIXYNS-HNNXBMFYSA-N 0 3 293.455 3.047 20 30 CGEDHN C=C(C)CNCc1cn(-c2ccccc2Cl)nc1C ZINC000655770363 419091490 /nfs/dbraw/zinc/09/14/90/419091490.db2.gz IQGAZMCVMSHLNV-UHFFFAOYSA-N 0 3 275.783 3.500 20 30 CGEDHN C=CC[C@@H]1N(Cc2cc(OC)no2)CCCC1(C)C ZINC000660423486 419141972 /nfs/dbraw/zinc/14/19/72/419141972.db2.gz RKYQZZPTAHPFFM-ZDUSSCGKSA-N 0 3 264.369 3.250 20 30 CGEDHN C=CCN(CCc1nsc2ccccc21)[C@H](C)COC ZINC000661238884 419243328 /nfs/dbraw/zinc/24/33/28/419243328.db2.gz GZPBQSDUGGVIMM-CYBMUJFWSA-N 0 3 290.432 3.362 20 30 CGEDHN C=CCN(C[C@H]1CCC2(CCCC2)O1)[C@@H](C)COC ZINC000661241439 419244318 /nfs/dbraw/zinc/24/43/18/419244318.db2.gz YFGODUQAFALRBA-LSDHHAIUSA-N 0 3 267.413 3.001 20 30 CGEDHN C=CCN(Cc1ccc(F)cc1C)[C@H](C)COC ZINC000661241322 419244425 /nfs/dbraw/zinc/24/44/25/419244425.db2.gz VTVKVUJLZZEXDL-CYBMUJFWSA-N 0 3 251.345 3.157 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000661379409 419256070 /nfs/dbraw/zinc/25/60/70/419256070.db2.gz YASOYFNUZDHLRQ-GJZGRUSLSA-N 0 3 272.392 3.302 20 30 CGEDHN C=CC[C@@H](C)NCc1cccc(F)c1OC(F)F ZINC000657363035 419260553 /nfs/dbraw/zinc/26/05/53/419260553.db2.gz DPWYJDSTVNBADP-SECBINFHSA-N 0 3 259.271 3.481 20 30 CGEDHN C=CCC1(NCc2ccc(S(C)(=O)=O)o2)CCCCC1 ZINC000666388792 419211972 /nfs/dbraw/zinc/21/19/72/419211972.db2.gz CGLFPGOJELQNHZ-UHFFFAOYSA-N 0 3 297.420 3.052 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccccn2)no1 ZINC000661115679 419231860 /nfs/dbraw/zinc/23/18/60/419231860.db2.gz DKWUFAJWGOMAKZ-KGLIPLIRSA-N 0 3 298.390 3.356 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(C2CCC2)nn1 ZINC000657530049 419299815 /nfs/dbraw/zinc/29/98/15/419299815.db2.gz LWTVPRZCOTUJMH-CZUORRHYSA-N 0 3 274.412 3.228 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000657629789 419316078 /nfs/dbraw/zinc/31/60/78/419316078.db2.gz JVDBGIHQTMPTDQ-OAHLLOKOSA-N 0 3 273.376 3.053 20 30 CGEDHN C[C@H]1c2ccccc2C[C@H]1NCC#Cc1ccccc1 ZINC000661517141 419269800 /nfs/dbraw/zinc/26/98/00/419269800.db2.gz JADBNLMHSPAJJP-HNAYVOBHSA-N 0 3 261.368 3.356 20 30 CGEDHN C=CCOCCCNCc1cccc(OC2CC2)c1F ZINC000657659103 419321556 /nfs/dbraw/zinc/32/15/56/419321556.db2.gz ONXBQYQNCPFLNU-UHFFFAOYSA-N 0 3 279.355 3.049 20 30 CGEDHN C#CC[C@H](NCCC(=O)OC(C)(C)C)c1ccccc1 ZINC000298895054 260168909 /nfs/dbraw/zinc/16/89/09/260168909.db2.gz LXMCBRIICUDXKV-HNNXBMFYSA-N 0 3 273.376 3.072 20 30 CGEDHN N#CCCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000071090525 260271704 /nfs/dbraw/zinc/27/17/04/260271704.db2.gz DRUUQRGZLVTUKF-KRWDZBQOSA-N 0 3 265.360 3.454 20 30 CGEDHN C=CC1CCN(Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000151352769 260595810 /nfs/dbraw/zinc/59/58/10/260595810.db2.gz KFFWHLBUAHCPFB-UHFFFAOYSA-N 0 3 277.339 3.010 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)C2CC2)CCCCC1 ZINC000448891175 261123856 /nfs/dbraw/zinc/12/38/56/261123856.db2.gz PYAZYBSTPDXDDL-CQSZACIVSA-N 0 3 278.440 3.112 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2OC(F)F)C1 ZINC000192627199 262206463 /nfs/dbraw/zinc/20/64/63/262206463.db2.gz DEXRMVOUZHEDAM-WCQYABFASA-N 0 3 280.318 3.460 20 30 CGEDHN C=CC[C@H](CO)NCc1cc(Cl)cc(Cl)c1 ZINC000184262016 262275082 /nfs/dbraw/zinc/27/50/82/262275082.db2.gz KNAWCKCMRKZKGD-GFCCVEGCSA-N 0 3 260.164 3.020 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1 ZINC000184261990 262275118 /nfs/dbraw/zinc/27/51/18/262275118.db2.gz KNAWCKCMRKZKGD-LBPRGKRZSA-N 0 3 260.164 3.020 20 30 CGEDHN CC[C@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)O1 ZINC000336783641 262394620 /nfs/dbraw/zinc/39/46/20/262394620.db2.gz DARXLBKUYKMENN-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN Cc1nc(C)c([C@@H](C)NCc2cccc(C#N)c2)s1 ZINC000040445738 269924237 /nfs/dbraw/zinc/92/42/37/269924237.db2.gz RMMGHQXTKLZVSQ-SNVBAGLBSA-N 0 3 271.389 3.482 20 30 CGEDHN Cc1c([C@H](C)NCC(C)(C)CC#N)cnn1C(C)C ZINC000414167207 262820177 /nfs/dbraw/zinc/82/01/77/262820177.db2.gz OVUYXRZAAIMGKT-LBPRGKRZSA-N 0 3 262.401 3.363 20 30 CGEDHN COc1ccc(OC)c(CNCC(C)(C)CCC#N)c1 ZINC000266168053 262914563 /nfs/dbraw/zinc/91/45/63/262914563.db2.gz BHYHNDWIKMTOAR-UHFFFAOYSA-N 0 3 276.380 3.123 20 30 CGEDHN C[C@H]([NH2+]CCCC#N)c1cc2c(cc1[O-])CCCC2 ZINC000273443915 263017002 /nfs/dbraw/zinc/01/70/02/263017002.db2.gz NIXPFUOPAJDBAR-LBPRGKRZSA-N 0 3 258.365 3.225 20 30 CGEDHN Cc1cccc2c1CN(CCCSCC#N)CC2 ZINC000277156982 263039937 /nfs/dbraw/zinc/03/99/37/263039937.db2.gz JYPPPEVTBQEUHH-UHFFFAOYSA-N 0 3 260.406 3.000 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000278213643 263045783 /nfs/dbraw/zinc/04/57/83/263045783.db2.gz IGDYOHCLXCLQDQ-ZYHUDNBSSA-N 0 3 250.292 3.137 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3c2cccc3O)C1 ZINC000278762871 263050735 /nfs/dbraw/zinc/05/07/35/263050735.db2.gz OTZWDXZNYFLAOW-XUJVJEKNSA-N 0 3 256.349 3.051 20 30 CGEDHN CC[C@@H](C)CN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280315288 263060217 /nfs/dbraw/zinc/06/02/17/263060217.db2.gz GIMNZSWMAWTGCA-RHSMWYFYSA-N 0 3 297.402 3.135 20 30 CGEDHN C[C@@H](c1cccnc1)N(C)CCCC1(C#N)CCOCC1 ZINC000281940533 263073109 /nfs/dbraw/zinc/07/31/09/263073109.db2.gz ISFKTUTWLHPVCS-HNNXBMFYSA-N 0 3 287.407 3.175 20 30 CGEDHN CC(C)(C#N)CCCN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340192932 263087534 /nfs/dbraw/zinc/08/75/34/263087534.db2.gz UODAVKLPXZEFRT-RYUDHWBXSA-N 0 3 292.345 3.094 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000452592665 263117702 /nfs/dbraw/zinc/11/77/02/263117702.db2.gz QYAOPUHAYXDBOC-OQPBUACISA-N 0 3 280.730 3.206 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(N3CCc4ccccc43)CC2)C1 ZINC000294194054 263157431 /nfs/dbraw/zinc/15/74/31/263157431.db2.gz RDCXUTXWUXHEPZ-QAPCUYQASA-N 0 3 295.430 3.206 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(F)cc(F)c1 ZINC000453332475 263237854 /nfs/dbraw/zinc/23/78/54/263237854.db2.gz CODABDHMKVKNBR-VQISRLSMSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1sc(CC)nc1C ZINC000453332920 263239023 /nfs/dbraw/zinc/23/90/23/263239023.db2.gz CVAWREWFGWDZQY-RTXFEEFZSA-N 0 3 280.437 3.398 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@H](COCC)C2)c1 ZINC000126567204 264214129 /nfs/dbraw/zinc/21/41/29/264214129.db2.gz XTCJBVOVFDZKLU-KRWDZBQOSA-N 0 3 289.419 3.500 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)C2(C#N)CCCCC2)c1 ZINC000057387284 264397580 /nfs/dbraw/zinc/39/75/80/264397580.db2.gz AGSLTKMWUOLTDU-UHFFFAOYSA-N 0 3 285.391 3.161 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cc(F)cc(F)c1 ZINC000090883935 264413032 /nfs/dbraw/zinc/41/30/32/264413032.db2.gz MYMNCEULZBRVLG-LLVKDONJSA-N 0 3 255.308 3.208 20 30 CGEDHN CC(C)CSCCCN1CCC(C)(C#N)CC1 ZINC000356436049 266112898 /nfs/dbraw/zinc/11/28/98/266112898.db2.gz QYCOVHATILBADM-UHFFFAOYSA-N 0 3 254.443 3.391 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000356960390 266220138 /nfs/dbraw/zinc/22/01/38/266220138.db2.gz IYKPZRHFIFMBCW-UONOGXRCSA-N 0 3 257.381 3.333 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000357805218 266368051 /nfs/dbraw/zinc/36/80/51/266368051.db2.gz AIXNHCKQRJVKIM-INIZCTEOSA-N 0 3 292.382 3.418 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000357822899 266372280 /nfs/dbraw/zinc/37/22/80/266372280.db2.gz JVFDGKVJXKPHOI-CABZTGNLSA-N 0 3 250.729 3.067 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357884017 266381590 /nfs/dbraw/zinc/38/15/90/266381590.db2.gz YPVGWOGXEMWZFA-YOEHRIQHSA-N 0 3 274.408 3.069 20 30 CGEDHN C#CCOc1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000371333224 267392723 /nfs/dbraw/zinc/39/27/23/267392723.db2.gz CRUBPTKVPBWKEG-UHFFFAOYSA-N 0 3 299.414 3.090 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@]23CCOC3)c1 ZINC000375306231 267845693 /nfs/dbraw/zinc/84/56/93/267845693.db2.gz BTICGVABXUWUMX-QGZVFWFLSA-N 0 3 273.376 3.006 20 30 CGEDHN CCCCCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC000377013019 268039741 /nfs/dbraw/zinc/03/97/41/268039741.db2.gz IEEGIPJULGDURQ-KRWDZBQOSA-N 0 3 282.472 3.144 20 30 CGEDHN CC[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000459739758 273737092 /nfs/dbraw/zinc/73/70/92/273737092.db2.gz LAAGICXGPGNSGW-KGLIPLIRSA-N 0 3 298.308 3.234 20 30 CGEDHN C[C@@H](Nc1ccc(C#N)nc1)[C@@H](c1ccccc1)N(C)C ZINC000290964389 274264504 /nfs/dbraw/zinc/26/45/04/274264504.db2.gz OUZGUNXUZPYEMP-DYVFJYSZSA-N 0 3 280.375 3.057 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000294916885 275741820 /nfs/dbraw/zinc/74/18/20/275741820.db2.gz GFYBIGLYFJAOAU-DZGCQCFKSA-N 0 3 274.408 3.006 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000344087243 276924761 /nfs/dbraw/zinc/92/47/61/276924761.db2.gz HNWVNBHHSPSPJS-LEOMRAHMSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCC[C@H](O)CN1CCC(c2ccccc2F)CC1 ZINC000531868082 328052600 /nfs/dbraw/zinc/05/26/00/328052600.db2.gz SMKSCHAWSWSIOP-HNNXBMFYSA-N 0 3 277.383 3.332 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000411267100 328081464 /nfs/dbraw/zinc/08/14/64/328081464.db2.gz KQWJHRFWTBXJAV-GOEBONIOSA-N 0 3 258.365 3.222 20 30 CGEDHN Cc1cnn([C@H]2CCN(CCC3(C#N)CCCCC3)C2)c1 ZINC000411746601 328098551 /nfs/dbraw/zinc/09/85/51/328098551.db2.gz OVZMGFZGEJFVQA-INIZCTEOSA-N 0 3 286.423 3.303 20 30 CGEDHN COC(=O)[C@]1(C)CCCN(CCC2(C#N)CCCCC2)C1 ZINC000412060568 328101831 /nfs/dbraw/zinc/10/18/31/328101831.db2.gz GESACTJXCKDIBO-MRXNPFEDSA-N 0 3 292.423 3.126 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(c2ccc(O)cc2)CC1 ZINC000276346368 328217548 /nfs/dbraw/zinc/21/75/48/328217548.db2.gz VGHBJVGWEZVNMT-ZDUSSCGKSA-N 0 3 258.365 3.264 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2c(Cl)nc3ccccn32)C1 ZINC000294912415 328283782 /nfs/dbraw/zinc/28/37/82/328283782.db2.gz AGFYFXZGSBPKMT-RYUDHWBXSA-N 0 3 288.782 3.160 20 30 CGEDHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986915 322186542 /nfs/dbraw/zinc/18/65/42/322186542.db2.gz IYYQYRMIWFFDLK-RISCZKNCSA-N 0 3 273.336 3.229 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccc(F)cc2)nc1 ZINC000568879799 322225850 /nfs/dbraw/zinc/22/58/50/322225850.db2.gz MCRMMHOJDJKAFJ-SFHVURJKSA-N 0 3 295.361 3.299 20 30 CGEDHN CC[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570283044 322269789 /nfs/dbraw/zinc/26/97/89/322269789.db2.gz KENGQCJIIKMUTC-GXTWGEPZSA-N 0 3 273.336 3.135 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000573448752 322388450 /nfs/dbraw/zinc/38/84/50/322388450.db2.gz JWUMAEQUUAYKFR-WQVCFCJDSA-N 0 3 299.374 3.477 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cc(C(F)(F)F)ccc1F ZINC000341365274 328406843 /nfs/dbraw/zinc/40/68/43/328406843.db2.gz LGKJLSZEGAEPPG-SNVBAGLBSA-N 0 3 291.288 3.119 20 30 CGEDHN CC#CCN1CCC(c2ccnc3ccccc32)CC1 ZINC000563725336 328495934 /nfs/dbraw/zinc/49/59/34/328495934.db2.gz LIKMGCUEUYYREM-UHFFFAOYSA-N 0 3 264.372 3.438 20 30 CGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(C#N)c1 ZINC000563770195 328512691 /nfs/dbraw/zinc/51/26/91/328512691.db2.gz MHHWMWREHFESMC-CQSZACIVSA-N 0 3 275.355 3.475 20 30 CGEDHN Cc1ccc(CC2CCN(C(=O)C(C)C#N)CC2)cc1C ZINC000557296610 327000599 /nfs/dbraw/zinc/00/05/99/327000599.db2.gz ZJSFHOGWEALMHT-HNNXBMFYSA-N 0 3 284.403 3.244 20 30 CGEDHN C[C@@H]1SCCN(Cc2ccc(CC#N)cc2)[C@H]1C ZINC000343550843 327033255 /nfs/dbraw/zinc/03/32/55/327033255.db2.gz LJTSMXSEEDKCKX-STQMWFEESA-N 0 3 260.406 3.078 20 30 CGEDHN C=CCOCCN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000559106944 327141742 /nfs/dbraw/zinc/14/17/42/327141742.db2.gz PEOOPQOSHFTSOY-CZUORRHYSA-N 0 3 263.356 3.411 20 30 CGEDHN C=CCN(C)CCc1cccc(Br)c1 ZINC000154763935 327386336 /nfs/dbraw/zinc/38/63/36/327386336.db2.gz TUWGMMVCXIFFLZ-UHFFFAOYSA-N 0 3 254.171 3.109 20 30 CGEDHN C=C(CC)CNC1(c2cccc(OC)c2F)CCOCC1 ZINC000562587967 327496606 /nfs/dbraw/zinc/49/66/06/327496606.db2.gz OAQUTRWHYFVDOY-UHFFFAOYSA-N 0 3 293.382 3.396 20 30 CGEDHN CCCCN(CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000177026463 329180393 /nfs/dbraw/zinc/18/03/93/329180393.db2.gz VKUWTNHBCBICHL-UHFFFAOYSA-N 0 3 299.336 3.151 20 30 CGEDHN CC[C@H](O)[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000177163528 329180718 /nfs/dbraw/zinc/18/07/18/329180718.db2.gz AOUSZUOVKNCQQM-IRXDYDNUSA-N 0 3 291.822 3.317 20 30 CGEDHN C=CCC[C@@H](NCc1cn2c(cccc2C)n1)C1CC1 ZINC000178690441 329202055 /nfs/dbraw/zinc/20/20/55/329202055.db2.gz MKBOYPRPCRDCCN-MRXNPFEDSA-N 0 3 269.392 3.477 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000185444611 329273650 /nfs/dbraw/zinc/27/36/50/329273650.db2.gz DPUOXSNHMAMJNL-HOTGVXAUSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000186008606 329335708 /nfs/dbraw/zinc/33/57/08/329335708.db2.gz VPSUKKFNYRSQDI-HZPDHXFCSA-N 0 3 288.435 3.225 20 30 CGEDHN CC(C)(CCC#N)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186436584 329342510 /nfs/dbraw/zinc/34/25/10/329342510.db2.gz SXORJKWWDDQBEC-GOSISDBHSA-N 0 3 284.403 3.448 20 30 CGEDHN N#CCC[C@H](C#N)CNCC[C@@H]1CCc2ccccc21 ZINC000583194300 329356424 /nfs/dbraw/zinc/35/64/24/329356424.db2.gz UDRIHFGXYIKFEB-ZBFHGGJFSA-N 0 3 267.376 3.140 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2-n2ccnc2)C1 ZINC000192727049 329435577 /nfs/dbraw/zinc/43/55/77/329435577.db2.gz XAZITHSZGWVUBO-GDBMZVCRSA-N 0 3 280.375 3.044 20 30 CGEDHN C=C(C)CCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000509672692 332877930 /nfs/dbraw/zinc/87/79/30/332877930.db2.gz LDPABADAHZECLM-MRXNPFEDSA-N 0 3 288.435 3.340 20 30 CGEDHN C=CCOc1ccc(CNCCSC(C)C)cc1 ZINC000336793111 329916821 /nfs/dbraw/zinc/91/68/21/329916821.db2.gz VMDBFJDLDQBKHU-UHFFFAOYSA-N 0 3 265.422 3.483 20 30 CGEDHN C=CCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000263695480 330060092 /nfs/dbraw/zinc/06/00/92/330060092.db2.gz PZEVAWSOKROROD-UHFFFAOYSA-N 0 3 295.382 3.476 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccncc1Cl ZINC000421852460 330088131 /nfs/dbraw/zinc/08/81/31/330088131.db2.gz IHHHKUXMKKSOHD-JMSVASOKSA-N 0 3 280.799 3.367 20 30 CGEDHN C[C@@H](NCCCC#N)c1ccc(Br)s1 ZINC000273248519 330090352 /nfs/dbraw/zinc/09/03/52/330090352.db2.gz KNEREDWTYYHWOS-MRVPVSSYSA-N 0 3 273.199 3.465 20 30 CGEDHN C=C(C)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000274770132 330107876 /nfs/dbraw/zinc/10/78/76/330107876.db2.gz HCVMAYHNKZAQKI-INIZCTEOSA-N 0 3 275.392 3.339 20 30 CGEDHN C=C(C)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000274770132 330107877 /nfs/dbraw/zinc/10/78/77/330107877.db2.gz HCVMAYHNKZAQKI-INIZCTEOSA-N 0 3 275.392 3.339 20 30 CGEDHN CCC(C)(C)C1CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424067659 330219522 /nfs/dbraw/zinc/21/95/22/330219522.db2.gz QFDOIALXTKZQCB-YMAMQOFZSA-N 0 3 293.455 3.119 20 30 CGEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1ncccc1F ZINC000528037990 330303063 /nfs/dbraw/zinc/30/30/63/330303063.db2.gz NRGGMKARMLMCKO-BZUNDVKYSA-N 0 3 261.344 3.344 20 30 CGEDHN CCCn1ccc2cc(NC(=O)[C@H](N)CCCC#N)ccc21 ZINC000424163117 330307904 /nfs/dbraw/zinc/30/79/04/330307904.db2.gz XNBLHCRTIROWID-OAHLLOKOSA-N 0 3 298.390 3.011 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(OC)cc1Cl ZINC000424170814 330310845 /nfs/dbraw/zinc/31/08/45/330310845.db2.gz JTCMXBVWDNNIQD-WFASDCNBSA-N 0 3 281.783 3.029 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCCC23CCCCC3)nn1 ZINC000424291132 330334707 /nfs/dbraw/zinc/33/47/07/330334707.db2.gz DARINADPWJPLAO-HNNXBMFYSA-N 0 3 274.412 3.057 20 30 CGEDHN COc1ccc2c(c1F)CC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424320068 330339982 /nfs/dbraw/zinc/33/99/82/330339982.db2.gz FNIXZRFZMBPSOO-MISXGVKJSA-N 0 3 274.339 3.103 20 30 CGEDHN COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000424335951 330343489 /nfs/dbraw/zinc/34/34/89/330343489.db2.gz XDTJHWPDIOLVPE-NTZNESFSSA-N 0 3 262.328 3.177 20 30 CGEDHN Cc1csc([C@H](C)NCCCC(C)(C)C#N)n1 ZINC000087598467 330373798 /nfs/dbraw/zinc/37/37/98/330373798.db2.gz YYMCBMPLKDMRAM-NSHDSACASA-N 0 3 251.399 3.432 20 30 CGEDHN C=C(C)COCCN[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000090451142 330392619 /nfs/dbraw/zinc/39/26/19/330392619.db2.gz KVSKWKAIJMRJPN-OAHLLOKOSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CCCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000121236555 330398357 /nfs/dbraw/zinc/39/83/57/330398357.db2.gz FIUZOIQYTQMUMY-AWEZNQCLSA-N 0 3 299.418 3.490 20 30 CGEDHN Cc1c([C@H](C)NCC2(CC#N)CC2)cccc1[N+](=O)[O-] ZINC000430734276 330571836 /nfs/dbraw/zinc/57/18/36/330571836.db2.gz LOJYWVPSJCPXBG-LBPRGKRZSA-N 0 3 273.336 3.248 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc(CCC)cs1 ZINC000435739508 330661564 /nfs/dbraw/zinc/66/15/64/330661564.db2.gz GQVJJMKRJQXUTA-SWLSCSKDSA-N 0 3 280.437 3.166 20 30 CGEDHN C=C(CC)CNC1(c2ccc(OC)c(F)c2)CCOCC1 ZINC000444819021 330826705 /nfs/dbraw/zinc/82/67/05/330826705.db2.gz TWZPCRJZKKJWGY-UHFFFAOYSA-N 0 3 293.382 3.396 20 30 CGEDHN CC1(C#N)CCC(NCc2ccn(-c3ccccc3)n2)CC1 ZINC000449103047 330899241 /nfs/dbraw/zinc/89/92/41/330899241.db2.gz OCVYPWHWXCBBAM-UHFFFAOYSA-N 0 3 294.402 3.434 20 30 CGEDHN C=C(C)CCNCc1c(F)cccc1N1CCCC1 ZINC000449471026 330928290 /nfs/dbraw/zinc/92/82/90/330928290.db2.gz BYOUOLIVHJDOKV-UHFFFAOYSA-N 0 3 262.372 3.482 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC(C)C)cc1 ZINC000449549083 330935861 /nfs/dbraw/zinc/93/58/61/330935861.db2.gz UPEGGJNNUNREDN-SJORKVTESA-N 0 3 275.392 3.297 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(C(F)F)c1 ZINC000451610010 331036747 /nfs/dbraw/zinc/03/67/47/331036747.db2.gz FQRAOFFJDFUHFG-OLZOCXBDSA-N 0 3 253.292 3.057 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2ccc(Cl)cc21 ZINC000451610689 331036838 /nfs/dbraw/zinc/03/68/38/331036838.db2.gz UDAIUNDQZGYUKD-ZNMIVQPWSA-N 0 3 263.768 3.260 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(C(F)F)c1 ZINC000451679458 331038911 /nfs/dbraw/zinc/03/89/11/331038911.db2.gz HBQFEJCAJBBNOX-KGLIPLIRSA-N 0 3 267.319 3.447 20 30 CGEDHN CC#CCN[C@@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000451689648 331039234 /nfs/dbraw/zinc/03/92/34/331039234.db2.gz JVPIOBUMYBVANZ-AWEZNQCLSA-N 0 3 285.309 3.396 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN[C@@H]1COCC1(C)C ZINC000451811828 331043400 /nfs/dbraw/zinc/04/34/00/331043400.db2.gz RWURKSOXBVWLPA-OAHLLOKOSA-N 0 3 272.392 3.002 20 30 CGEDHN CC[C@H](C)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000451848378 331044547 /nfs/dbraw/zinc/04/45/47/331044547.db2.gz UQNIYHFGJMLKDP-INIZCTEOSA-N 0 3 299.462 3.404 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452344436 331062832 /nfs/dbraw/zinc/06/28/32/331062832.db2.gz NYITWZUFJDWYJH-KRWDZBQOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CC(C)(C)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000452772535 331075782 /nfs/dbraw/zinc/07/57/82/331075782.db2.gz FSKHHDFOWQIVCY-OAHLLOKOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000453313097 331114977 /nfs/dbraw/zinc/11/49/77/331114977.db2.gz HJRCOKARHWXMLT-MRXNPFEDSA-N 0 3 273.355 3.204 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2nc(CC)sc21 ZINC000453330141 331117568 /nfs/dbraw/zinc/11/75/68/331117568.db2.gz ARXPTLBWFOIXQM-DYEKYZERSA-N 0 3 292.448 3.406 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1csc(C)c1 ZINC000453366388 331123301 /nfs/dbraw/zinc/12/33/01/331123301.db2.gz SVLTWJMBBWKNJF-BNOWGMLFSA-N 0 3 251.395 3.441 20 30 CGEDHN C[C@H]1CC[C@H](CNCc2cccc(OCCCC#N)c2)O1 ZINC000453636354 331137421 /nfs/dbraw/zinc/13/74/21/331137421.db2.gz WTKDIYAQVVDPHV-WMLDXEAASA-N 0 3 288.391 3.026 20 30 CGEDHN CC#CCCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673460 331293551 /nfs/dbraw/zinc/29/35/51/331293551.db2.gz YYXVKMBFDDEYKI-ZDUSSCGKSA-N 0 3 289.341 3.081 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc(OC(F)F)cc1 ZINC000459690006 331294629 /nfs/dbraw/zinc/29/46/29/331294629.db2.gz IYRZYAZEKNAYLK-UHFFFAOYSA-N 0 3 268.307 3.317 20 30 CGEDHN CC#CCCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000464434588 331360446 /nfs/dbraw/zinc/36/04/46/331360446.db2.gz ALPMNDJMOXPMDE-AEFFLSMTSA-N 0 3 298.430 3.132 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1C(C)C)C(C)C ZINC000475299940 331623234 /nfs/dbraw/zinc/62/32/34/331623234.db2.gz WVZOWOCGZBRMKK-GVDBMIGSSA-N 0 3 292.467 3.093 20 30 CGEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCC#Cc2ccccc2)C1 ZINC000484070655 331891954 /nfs/dbraw/zinc/89/19/54/331891954.db2.gz RZLMSYKNSONZTD-LPHOPBHVSA-N 0 3 285.431 3.205 20 30 CGEDHN C=C(C)COCCNC/C(C)=C/c1ccccc1COC ZINC000511631250 332937800 /nfs/dbraw/zinc/93/78/00/332937800.db2.gz VCCZURUYGNSUHU-LFIBNONCSA-N 0 3 289.419 3.419 20 30 CGEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccc(F)cc1 ZINC000489400499 332050306 /nfs/dbraw/zinc/05/03/06/332050306.db2.gz IJMOUCPZIUVOJJ-HNNXBMFYSA-N 0 3 276.355 3.195 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1c(C)nc2ccccn21 ZINC000489452246 332053357 /nfs/dbraw/zinc/05/33/57/332053357.db2.gz VWQZHKFFXCAQKB-CQSZACIVSA-N 0 3 255.365 3.183 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1c(C)cccc1C ZINC000489488071 332055813 /nfs/dbraw/zinc/05/58/13/332055813.db2.gz VYZAJRSTVNVRQX-DLBZAZTESA-N 0 3 289.419 3.084 20 30 CGEDHN C=CCn1cccc1C(=O)Nc1ccccc1CCN(C)C ZINC000489559884 332059482 /nfs/dbraw/zinc/05/94/82/332059482.db2.gz DRNUMMHTVKYJFX-UHFFFAOYSA-N 0 3 297.402 3.031 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(C(=O)OC)cc1 ZINC000491344358 332193886 /nfs/dbraw/zinc/19/38/86/332193886.db2.gz ZLHUWZTYZWYPCR-UHFFFAOYSA-N 0 3 299.370 3.297 20 30 CGEDHN C#C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000491677627 332282392 /nfs/dbraw/zinc/28/23/92/332282392.db2.gz QZJFIBJMVDDQIB-NOXHYTERSA-N 0 3 261.340 3.046 20 30 CGEDHN C#C[C@H](C)N(C)Cc1cccc(-c2ccccn2)c1 ZINC000491681395 332284681 /nfs/dbraw/zinc/28/46/81/332284681.db2.gz MUFHOHCZSSUOBS-AWEZNQCLSA-N 0 3 250.345 3.202 20 30 CGEDHN C#C[C@H](NC1CCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000491691806 332288589 /nfs/dbraw/zinc/28/85/89/332288589.db2.gz HJSKUQHLLLCFIC-KRWDZBQOSA-N 0 3 288.822 3.231 20 30 CGEDHN COC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000494762927 332485282 /nfs/dbraw/zinc/48/52/82/332485282.db2.gz MUVDSXFWDWUSID-DFBGVHRSSA-N 0 3 278.783 3.309 20 30 CGEDHN C=CCN1CCC(NC(=O)C2(CC)CCCCC2)CC1 ZINC000184158893 333125345 /nfs/dbraw/zinc/12/53/45/333125345.db2.gz YPDCXUSGRJWZTC-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCOc1cccc(CNC[C@@H]2CCC(C)(C)O2)c1 ZINC000189735964 333198413 /nfs/dbraw/zinc/19/84/13/333198413.db2.gz PVHKYVISZGRUCE-INIZCTEOSA-N 0 3 275.392 3.299 20 30 CGEDHN Cc1cccc(-c2ccc(CNC(=O)C(C)C#N)cc2)c1 ZINC000523415048 333325947 /nfs/dbraw/zinc/32/59/47/333325947.db2.gz FFUCBNKHRHYDIM-CQSZACIVSA-N 0 3 278.355 3.438 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1C[C@H](c2ccccc2)C[C@@H]1C ZINC000523760335 333344335 /nfs/dbraw/zinc/34/43/35/333344335.db2.gz QDLNEQVRXDFMHL-FUHWJXTLSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCCCCCN(C)C(=O)NC[C@H]1CCCCN1CC ZINC000524801338 333388745 /nfs/dbraw/zinc/38/87/45/333388745.db2.gz WMLLLTWGSNJJHF-MRXNPFEDSA-N 0 3 295.471 3.249 20 30 CGEDHN CC#CCN(C)Cc1ccc2cc(OC)ccc2c1 ZINC000525119961 333399338 /nfs/dbraw/zinc/39/93/38/333399338.db2.gz FRYNZERWBGOPIW-UHFFFAOYSA-N 0 3 253.345 3.304 20 30 CGEDHN Cc1ccccc1OCCCNCc1ccc(C#N)o1 ZINC000174358981 335153324 /nfs/dbraw/zinc/15/33/24/335153324.db2.gz VIOKPYHDIUDQNK-UHFFFAOYSA-N 0 3 270.332 3.018 20 30 CGEDHN Cc1nc(C(C)(C)NCCCSCC#N)sc1C ZINC000072489008 333936696 /nfs/dbraw/zinc/93/66/96/333936696.db2.gz GTIXNQNKORWKTB-UHFFFAOYSA-N 0 3 283.466 3.232 20 30 CGEDHN CCN(Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000133304010 334036342 /nfs/dbraw/zinc/03/63/42/334036342.db2.gz QKMUQVWVAGJVRP-UHFFFAOYSA-N 0 3 258.365 3.353 20 30 CGEDHN C=CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152644761 334099202 /nfs/dbraw/zinc/09/92/02/334099202.db2.gz ODGQXSGFGLHTPS-LBPRGKRZSA-N 0 3 262.422 3.387 20 30 CGEDHN Clc1ccccc1C#CCN(C[C@H]1CCOC1)C1CC1 ZINC000134986489 334110801 /nfs/dbraw/zinc/11/08/01/334110801.db2.gz XELABOBOIOLEMC-CQSZACIVSA-N 0 3 289.806 3.192 20 30 CGEDHN C=C(C)CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079502870 334155874 /nfs/dbraw/zinc/15/58/74/334155874.db2.gz XHMHYMXEXQVHQV-QGZVFWFLSA-N 0 3 259.393 3.286 20 30 CGEDHN C=CCOCCN(C)CCc1cccc(Br)c1 ZINC000549719116 334202798 /nfs/dbraw/zinc/20/27/98/334202798.db2.gz POHMXFKFEYJTBZ-UHFFFAOYSA-N 0 3 298.224 3.126 20 30 CGEDHN Cc1cc(N2CCC(C#N)CC2)c2ccccc2n1 ZINC000141163129 334294615 /nfs/dbraw/zinc/29/46/15/334294615.db2.gz ZZSQRRUFNRVWEM-UHFFFAOYSA-N 0 3 251.333 3.283 20 30 CGEDHN CC(C)(C)C1=CCN(CCNc2cccc(C#N)n2)CC1 ZINC000576368006 335195678 /nfs/dbraw/zinc/19/56/78/335195678.db2.gz AKULEKOGTYRMSE-UHFFFAOYSA-N 0 3 284.407 3.043 20 30 CGEDHN Cc1cccc(OC[C@H](C)NCc2cc(C#N)cs2)c1 ZINC000177689244 335379139 /nfs/dbraw/zinc/37/91/39/335379139.db2.gz YKYKNROEMDAJLP-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN N#Cc1csc(CNCCc2cc(F)ccc2F)c1 ZINC000177708911 335380435 /nfs/dbraw/zinc/38/04/35/335380435.db2.gz BSJRGCMCPSLRTF-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000181119996 335751048 /nfs/dbraw/zinc/75/10/48/335751048.db2.gz ZUHHIJAGQFINAD-OAHLLOKOSA-N 0 3 295.471 3.247 20 30 CGEDHN C[C@@H](CN1CCCCCC1)NCc1ccc(C#N)cc1F ZINC000359145939 533823790 /nfs/dbraw/zinc/82/37/90/533823790.db2.gz QVFQKNPIRTUMIU-AWEZNQCLSA-N 0 3 289.398 3.051 20 30 CGEDHN C[C@H](NC[C@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358568475 533908264 /nfs/dbraw/zinc/90/82/64/533908264.db2.gz LEHGNRJUSJQMGI-DYEKYZERSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000186706369 519106036 /nfs/dbraw/zinc/10/60/36/519106036.db2.gz CNBIFRUGLZJIIN-AAEUAGOBSA-N 0 3 275.348 3.029 20 30 CGEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000186717576 519106855 /nfs/dbraw/zinc/10/68/55/519106855.db2.gz JLXNCKRIRQGNPA-NEPJUHHUSA-N 0 3 285.334 3.184 20 30 CGEDHN C=CCCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000263845566 534613914 /nfs/dbraw/zinc/61/39/14/534613914.db2.gz UARIZSKANJUJDA-UHFFFAOYSA-N 0 3 292.448 3.043 20 30 CGEDHN N#CCCCNCc1cccc(-c2ccncc2)c1 ZINC000344319239 534613343 /nfs/dbraw/zinc/61/33/43/534613343.db2.gz BPSQCOCMJPKCNE-UHFFFAOYSA-N 0 3 251.333 3.142 20 30 CGEDHN N#CC(C(=O)c1cccc2ccccc21)c1ccncn1 ZINC000354475962 534741315 /nfs/dbraw/zinc/74/13/15/534741315.db2.gz SBFCKPXLPWNMHU-HNNXBMFYSA-N 0 3 273.295 3.120 20 30 CGEDHN C=C(C)CCN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347313674 526442466 /nfs/dbraw/zinc/44/24/66/526442466.db2.gz GBEBWPHUPCDYPR-CABCVRRESA-N 0 3 277.433 3.453 20 30 CGEDHN C=C(C)CN(CC[C@H]1CCCCO1)Cc1ccc(CO)o1 ZINC000352797985 526552856 /nfs/dbraw/zinc/55/28/56/526552856.db2.gz WURUBKTXSAAXIG-OAHLLOKOSA-N 0 3 293.407 3.109 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CC[C@@H]2SC)cc1 ZINC000344950061 526891215 /nfs/dbraw/zinc/89/12/15/526891215.db2.gz CALNBQOURWMRQP-GJZGRUSLSA-N 0 3 263.406 3.235 20 30 CGEDHN C=CCCC[C@H](C)N[C@@H](C[S@](C)=O)c1ccccc1 ZINC000347684694 527296193 /nfs/dbraw/zinc/29/61/93/527296193.db2.gz PDQRGYCRBMRXHS-QOKNQOGYSA-N 0 3 279.449 3.441 20 30 CGEDHN CCCN(Cc1c(F)cccc1Cl)C(=O)C(C)C#N ZINC000347055626 528130082 /nfs/dbraw/zinc/13/00/82/528130082.db2.gz ALHKCMRXIAAUJQ-SNVBAGLBSA-N 0 3 282.746 3.377 20 30 CGEDHN CC(C)Cc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000344335604 528653601 /nfs/dbraw/zinc/65/36/01/528653601.db2.gz FCVAIXMHUMMVLG-CHWSQXEVSA-N 0 3 258.365 3.222 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](NC(=O)C(C)C#N)c2ccccc21 ZINC000344984437 528765454 /nfs/dbraw/zinc/76/54/54/528765454.db2.gz QVSPSOCIRDGZHO-BYCMXARLSA-N 0 3 256.349 3.147 20 30 CGEDHN CC(C)O[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000451501524 534932211 /nfs/dbraw/zinc/93/22/11/534932211.db2.gz PEAUPBPMZCIPND-HOTGVXAUSA-N 0 3 290.382 3.379 20 30 CGEDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000361744559 536602242 /nfs/dbraw/zinc/60/22/42/536602242.db2.gz GEZGEPKWIWIDEG-HUUCEWRRSA-N 0 3 278.783 3.259 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)C3CC3)nc21 ZINC000749038412 571693505 /nfs/dbraw/zinc/69/35/05/571693505.db2.gz QVRTYWLTKVJKRN-JQWIXIFHSA-N 0 3 267.332 3.094 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)C3CC3)[nH]c21 ZINC000749038412 571693508 /nfs/dbraw/zinc/69/35/08/571693508.db2.gz QVRTYWLTKVJKRN-JQWIXIFHSA-N 0 3 267.332 3.094 20 30 CGEDHN c1ccc(CCN2CCC(=NNC3CCCC3)CC2)cc1 ZINC000727651719 571760114 /nfs/dbraw/zinc/76/01/14/571760114.db2.gz NAONLHUNLNZONR-UHFFFAOYSA-N 0 3 285.435 3.213 20 30 CGEDHN C#CCOc1ccccc1CN(C)CCc1cccs1 ZINC000730260148 572333971 /nfs/dbraw/zinc/33/39/71/572333971.db2.gz BDGYULUPISPYPH-UHFFFAOYSA-N 0 3 285.412 3.435 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000741461857 572411101 /nfs/dbraw/zinc/41/11/01/572411101.db2.gz RQMIDOXDGRCONL-VIFPVBQESA-N 0 3 296.758 3.130 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)c1ccccn1 ZINC000732593698 572473328 /nfs/dbraw/zinc/47/33/28/572473328.db2.gz QJVGRNGJUVFOFA-YOEHRIQHSA-N 0 3 290.366 3.453 20 30 CGEDHN C#CCOc1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000733322797 572555216 /nfs/dbraw/zinc/55/52/16/572555216.db2.gz UUBOLXNWFMNMTK-IBGZPJMESA-N 0 3 277.367 3.476 20 30 CGEDHN C#CCSCCNCc1cc(C)c(C)cc1OC(F)F ZINC000742371763 572569862 /nfs/dbraw/zinc/56/98/62/572569862.db2.gz BDCIXTBDWASZLQ-UHFFFAOYSA-N 0 3 299.386 3.361 20 30 CGEDHN C#Cc1cccc(N(CC)C(=O)[C@H](C)N2CCCCCC2)c1 ZINC000733932418 572615347 /nfs/dbraw/zinc/61/53/47/572615347.db2.gz QQRQJXCKAHXMEA-INIZCTEOSA-N 0 3 298.430 3.285 20 30 CGEDHN C=CCCO[C@H](C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000743443514 572661997 /nfs/dbraw/zinc/66/19/97/572661997.db2.gz UTPLGADDSKFDBC-UKRRQHHQSA-N 0 3 294.354 3.392 20 30 CGEDHN C#CCCN1CCC(NC(=O)C[C@H](C)CCCCC)CC1 ZINC000743490715 572666958 /nfs/dbraw/zinc/66/69/58/572666958.db2.gz VKPQCYBDLAOQPD-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CCCC3)nc21 ZINC000735790089 572739979 /nfs/dbraw/zinc/73/99/79/572739979.db2.gz TXWVAUFKKVITNY-GFCCVEGCSA-N 0 3 267.332 3.238 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C3CCCC3)[nH]c21 ZINC000735790089 572739981 /nfs/dbraw/zinc/73/99/81/572739981.db2.gz TXWVAUFKKVITNY-GFCCVEGCSA-N 0 3 267.332 3.238 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC(C)C)nc21 ZINC000735788304 572740165 /nfs/dbraw/zinc/74/01/65/572740165.db2.gz DFLYMLUNQQNQJB-GFCCVEGCSA-N 0 3 269.348 3.484 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC(C)C)[nH]c21 ZINC000735788304 572740167 /nfs/dbraw/zinc/74/01/67/572740167.db2.gz DFLYMLUNQQNQJB-GFCCVEGCSA-N 0 3 269.348 3.484 20 30 CGEDHN C#CCN(C[C@@H]1COc2ccccc2O1)C1CCCCC1 ZINC000744739361 572770834 /nfs/dbraw/zinc/77/08/34/572770834.db2.gz XMMWRKBEHZMWNL-MRXNPFEDSA-N 0 3 285.387 3.094 20 30 CGEDHN CCCCCCCCC(=O)NCCN1CC[C@H](C)C1 ZINC000744799046 572776373 /nfs/dbraw/zinc/77/63/73/572776373.db2.gz STLDXZVPTAUELM-HNNXBMFYSA-N 0 3 268.445 3.195 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC12CCCC2 ZINC000747477998 572931199 /nfs/dbraw/zinc/93/11/99/572931199.db2.gz DIIVEAQNZDDFQV-QWHCGFSZSA-N 0 3 293.370 3.330 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC12CCCC2 ZINC000747477991 572931370 /nfs/dbraw/zinc/93/13/70/572931370.db2.gz DIIVEAQNZDDFQV-CHWSQXEVSA-N 0 3 293.370 3.330 20 30 CGEDHN Cc1cc(F)ccc1[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000747820372 572950569 /nfs/dbraw/zinc/95/05/69/572950569.db2.gz BVFGOZIRXXGHGQ-ACJLOTCBSA-N 0 3 298.361 3.390 20 30 CGEDHN C=CCN1CCC(Nc2nc3ccccc3cc2C#N)CC1 ZINC000750029294 573076068 /nfs/dbraw/zinc/07/60/68/573076068.db2.gz NWQRJCXPCHZHAG-UHFFFAOYSA-N 0 3 292.386 3.169 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000969707001 613299219 /nfs/dbraw/zinc/29/92/19/613299219.db2.gz PZFCQODWJYYHLQ-IJEWVQPXSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC000969726459 613300565 /nfs/dbraw/zinc/30/05/65/613300565.db2.gz UFGLETOHCZRFTL-CYBMUJFWSA-N 0 3 298.386 3.059 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000975032467 613398989 /nfs/dbraw/zinc/39/89/89/613398989.db2.gz YBOPWKNYBRJNEH-OAHLLOKOSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000971595760 613625376 /nfs/dbraw/zinc/62/53/76/613625376.db2.gz DDSOEZNBWJLHIR-LLVKDONJSA-N 0 3 298.839 3.042 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)CC3CCCCC3)C2)C1 ZINC000981607719 613677512 /nfs/dbraw/zinc/67/75/12/613677512.db2.gz DRJAGNGRTJIDEB-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000940615497 613741968 /nfs/dbraw/zinc/74/19/68/613741968.db2.gz OKZHLOPCTSVQKS-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763074 613785069 /nfs/dbraw/zinc/78/50/69/613785069.db2.gz CDHOZMDZHAGEJK-MAUKXSAKSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC001020843517 617798470 /nfs/dbraw/zinc/79/84/70/617798470.db2.gz IVFBQJQKMSEUFJ-AJNGGQMLSA-N 0 3 298.858 3.192 20 30 CGEDHN CN1CCCC(C)(C)[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC000804677099 617789296 /nfs/dbraw/zinc/78/92/96/617789296.db2.gz IYHCZWAVMDDLSA-SNVBAGLBSA-N 0 3 298.843 3.200 20 30 CGEDHN N#CC(C(=O)C=CC1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813218496 617958733 /nfs/dbraw/zinc/95/87/33/617958733.db2.gz WPTHZFYORQUYTB-UFFNRZRYSA-N 0 3 280.249 3.243 20 30 CGEDHN C=C(C)c1cccc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000900280294 620776691 /nfs/dbraw/zinc/77/66/91/620776691.db2.gz ZKDOUGCYJSNGSH-NSHDSACASA-N 0 3 298.264 3.097 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCOCC3)C2)s1 ZINC000933084524 618142405 /nfs/dbraw/zinc/14/24/05/618142405.db2.gz HBPZPDFERSQENH-CQSZACIVSA-N 0 3 290.432 3.258 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001022212026 618242881 /nfs/dbraw/zinc/24/28/81/618242881.db2.gz LZRAUKIHDZWCCA-OKILXGFUSA-N 0 3 298.858 3.192 20 30 CGEDHN C[C@H]1CN(CCC(C)(C)C#N)CCN1c1ccccc1 ZINC000934320944 618592871 /nfs/dbraw/zinc/59/28/71/618592871.db2.gz YCDHGLSFDQGWJG-HNNXBMFYSA-N 0 3 271.408 3.137 20 30 CGEDHN C=C(Br)CN[C@@H](C)CCc1ccco1 ZINC000049566404 618635243 /nfs/dbraw/zinc/63/52/43/618635243.db2.gz LOGQUNUVHNEMMN-JTQLQIEISA-N 0 3 258.159 3.099 20 30 CGEDHN N#CC(C(=O)CCCOc1ccc(F)cc1)c1ccccn1 ZINC000121987090 618676925 /nfs/dbraw/zinc/67/69/25/618676925.db2.gz VWXSMJOZYSLJKQ-HNNXBMFYSA-N 0 3 298.317 3.256 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC001022913831 618681585 /nfs/dbraw/zinc/68/15/85/618681585.db2.gz SQSMUTLFKHGWFU-HLPPOEQASA-N 0 3 298.858 3.048 20 30 CGEDHN CS[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000178882896 618711508 /nfs/dbraw/zinc/71/15/08/618711508.db2.gz NHOYAQFTGIKQGB-ZJUUUORDSA-N 0 3 274.345 3.146 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CC(C)(C)OC)c([O-])c1 ZINC000255675225 618775476 /nfs/dbraw/zinc/77/54/76/618775476.db2.gz SPWGLHYPHJPOHF-BOPFTXTBSA-N 0 3 278.396 3.082 20 30 CGEDHN CC#CCN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000179499453 618786314 /nfs/dbraw/zinc/78/63/14/618786314.db2.gz CQGVUWMCAUHOSK-SNVBAGLBSA-N 0 3 257.255 3.259 20 30 CGEDHN C=CCCC1(CN[C@@H](C)c2cc(CO)on2)CCCC1 ZINC000926684149 618819467 /nfs/dbraw/zinc/81/94/67/618819467.db2.gz WOICUZTUGAKWNH-ZDUSSCGKSA-N 0 3 278.396 3.344 20 30 CGEDHN N#CC(C(=O)CCc1cc(F)ccc1F)c1ccccn1 ZINC000066507136 618854298 /nfs/dbraw/zinc/85/42/98/618854298.db2.gz RNTFSAFKUFEMNS-CYBMUJFWSA-N 0 3 286.281 3.169 20 30 CGEDHN C=C(Br)CN[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000162548391 618880716 /nfs/dbraw/zinc/88/07/16/618880716.db2.gz VRZQRPKHVYSBAG-VXGBXAGGSA-N 0 3 288.229 3.222 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C ZINC001017864557 618887832 /nfs/dbraw/zinc/88/78/32/618887832.db2.gz KHNGEDGJGWXRRZ-WCXIOVBPSA-N 0 3 290.451 3.064 20 30 CGEDHN COc1ccc(CN2CCC(C)(C#N)CC2)c(C)c1 ZINC000893472022 619186335 /nfs/dbraw/zinc/18/63/35/619186335.db2.gz XOPPJYJBZLLARD-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN Cc1nn(C(C)C)c(C)c1CN1CCC(CC#N)CC1 ZINC000893487213 619190914 /nfs/dbraw/zinc/19/09/14/619190914.db2.gz LEMQDMKVEBUZQL-UHFFFAOYSA-N 0 3 274.412 3.207 20 30 CGEDHN C=C(C)[C@@H](N[C@@H](C)COCCOC)c1ccc(F)c(F)c1 ZINC000893667818 619275792 /nfs/dbraw/zinc/27/57/92/619275792.db2.gz HDMSGCKNNGUFJS-BLLLJJGKSA-N 0 3 299.361 3.223 20 30 CGEDHN C=C(Br)CNCCCc1ccc2c(c1)CCO2 ZINC000193292310 619726632 /nfs/dbraw/zinc/72/66/32/619726632.db2.gz XKFOXZAAFSTYBI-UHFFFAOYSA-N 0 3 296.208 3.052 20 30 CGEDHN N#CCCCOc1cccc(CN2CCC(F)CC2)c1 ZINC000895549024 619844293 /nfs/dbraw/zinc/84/42/93/619844293.db2.gz GOMWCLQTDGJFHT-UHFFFAOYSA-N 0 3 276.355 3.303 20 30 CGEDHN C=C(C)COc1cc(CN2CC[C@@H](CF)C2)ccc1OC ZINC000895572402 619851415 /nfs/dbraw/zinc/85/14/15/619851415.db2.gz CWPVTPVETXDOPC-HNNXBMFYSA-N 0 3 293.382 3.442 20 30 CGEDHN CC(C)(NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000895657596 619865098 /nfs/dbraw/zinc/86/50/98/619865098.db2.gz AFNREUOREXGHBF-KRWDZBQOSA-N 0 3 298.361 3.299 20 30 CGEDHN C=CCC1(O)CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000895835096 619894998 /nfs/dbraw/zinc/89/49/98/619894998.db2.gz ZELQPLOQRFGXQZ-ARJAWSKDSA-N 0 3 293.357 3.381 20 30 CGEDHN C#CCC1(O)CCN(Cc2cc(C(C)(C)C)oc2C)CC1 ZINC000896024917 619930759 /nfs/dbraw/zinc/93/07/59/619930759.db2.gz BJPYMLLJBLEZKQ-UHFFFAOYSA-N 0 3 289.419 3.236 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007061125 620516895 /nfs/dbraw/zinc/51/68/95/620516895.db2.gz YCWGOFYGYCUWGK-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000989607181 620519437 /nfs/dbraw/zinc/51/94/37/620519437.db2.gz CMTPVFCGMQASJQ-UHFFFAOYSA-N 0 3 298.386 3.157 20 30 CGEDHN C=CCCN1CCCN(C(=O)C23CCC(CC2)CC3)CC1 ZINC000989709843 620521915 /nfs/dbraw/zinc/52/19/15/620521915.db2.gz VOBOBCTVMBKNTA-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN CNc1ccc(C)cc1CNCc1ccc(OCC#N)cc1 ZINC000902205440 621194563 /nfs/dbraw/zinc/19/45/63/621194563.db2.gz ZWEYEWDPPWSFRP-UHFFFAOYSA-N 0 3 295.386 3.229 20 30 CGEDHN C[C@H](COc1cccc(F)c1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902759425 621428317 /nfs/dbraw/zinc/42/83/17/621428317.db2.gz XBUFMMIZJQKZBE-OLZOCXBDSA-N 0 3 299.349 3.210 20 30 CGEDHN C[C@@H](NCCc1ccc(F)cc1F)c1cc(C#N)ccn1 ZINC000902799339 621452367 /nfs/dbraw/zinc/45/23/67/621452367.db2.gz BVVFZTSSWHEVSE-LLVKDONJSA-N 0 3 287.313 3.125 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCn2ccnc21)[C@@]1(C)CCCCO1 ZINC000903002391 621526207 /nfs/dbraw/zinc/52/62/07/621526207.db2.gz BAFHEOUPMMGFBW-HLLBOEOZSA-N 0 3 289.423 3.212 20 30 CGEDHN CC[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1 ZINC000903043800 621541884 /nfs/dbraw/zinc/54/18/84/621541884.db2.gz GWYCDPMHIILMON-QYZOEREBSA-N 0 3 292.382 3.257 20 30 CGEDHN C[C@H](NC1([C@H]2CCCCO2)CCC1)c1cc(C#N)ccn1 ZINC000903081687 621561997 /nfs/dbraw/zinc/56/19/97/621561997.db2.gz XACKFNNTMMZFSG-XJKSGUPXSA-N 0 3 285.391 3.096 20 30 CGEDHN C=CCC[C@H](NCc1cc(C(F)(F)F)n(C)n1)C1CC1 ZINC000903341831 621697429 /nfs/dbraw/zinc/69/74/29/621697429.db2.gz SYCLWLDWBSOADG-LBPRGKRZSA-N 0 3 287.329 3.273 20 30 CGEDHN C=CCCC[C@H](COc1ccccc1)NCc1cn(C)cn1 ZINC000903350635 621708317 /nfs/dbraw/zinc/70/83/17/621708317.db2.gz DCMBTYVRYAGBMK-MRXNPFEDSA-N 0 3 299.418 3.314 20 30 CGEDHN CC1/C(=C/c2csc(C(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905087322 622033889 /nfs/dbraw/zinc/03/38/89/622033889.db2.gz XGHNMFHXEPLHCD-WNGQPZJSSA-N 0 3 299.277 3.199 20 30 CGEDHN CC1/C(=C\c2cccc(OC(C)(C)C)c2)C(=O)c2ncnn21 ZINC000905085009 622033966 /nfs/dbraw/zinc/03/39/66/622033966.db2.gz LCFXMGDEGZYYLT-ZECSTPGPSA-N 0 3 297.358 3.296 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(CC)C[C@H]2C)CCCC1 ZINC000910268716 622469885 /nfs/dbraw/zinc/46/98/85/622469885.db2.gz BQYFVOYXXAEDRW-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000912395225 622645439 /nfs/dbraw/zinc/64/54/39/622645439.db2.gz NAITYVWRHDQWKS-UONOGXRCSA-N 0 3 278.421 3.095 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCCC3)CCC[C@@H]12 ZINC000992409786 623544610 /nfs/dbraw/zinc/54/46/10/623544610.db2.gz ULGNERYXQVMXAK-YXJHDRRASA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(C)c3C)CCC[C@H]12 ZINC000992468723 623580116 /nfs/dbraw/zinc/58/01/16/623580116.db2.gz QQMYHERQGAWKLW-HKUYNNGSSA-N 0 3 298.430 3.216 20 30 CGEDHN CCCCCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000915224010 623921673 /nfs/dbraw/zinc/92/16/73/623921673.db2.gz ZDPNXNRHTJYRPV-KRWDZBQOSA-N 0 3 282.472 3.144 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC000993263921 623997965 /nfs/dbraw/zinc/99/79/65/623997965.db2.gz LCGQVOHNOQJGQC-YPMHNXCESA-N 0 3 296.411 3.046 20 30 CGEDHN Cc1cc(C(C#N)C(=O)C=Cc2cccs2)nc(C)n1 ZINC000916879642 624221224 /nfs/dbraw/zinc/22/12/24/624221224.db2.gz CQOFUEUBDZGSQU-SZZPACECSA-N 0 3 283.356 3.045 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994457666 624230605 /nfs/dbraw/zinc/23/06/05/624230605.db2.gz YMOBKPBVJJUJEU-RDJZCZTQSA-N 0 3 290.451 3.278 20 30 CGEDHN C#CCN(C[C@H]1CCCCO1)[C@@H]1CCc2ccccc21 ZINC000917117235 624242545 /nfs/dbraw/zinc/24/25/45/624242545.db2.gz GDRHPIYRAPJZSK-SJLPKXTDSA-N 0 3 269.388 3.178 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2cccc(O)c2)cc1 ZINC000154411781 624275668 /nfs/dbraw/zinc/27/56/68/624275668.db2.gz QRWCIEHLRKZJKT-AWEZNQCLSA-N 0 3 281.355 3.255 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cc1F)c1ccccc1O ZINC000179882855 624694638 /nfs/dbraw/zinc/69/46/38/624694638.db2.gz ZCDDIWXISISTDI-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN C#CCCCCCCNCc1nc(C)c(C)s1 ZINC000877062593 634967658 /nfs/dbraw/zinc/96/76/58/634967658.db2.gz AFCAFXDSXLKOKM-UHFFFAOYSA-N 0 3 250.411 3.433 20 30 CGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(C#N)c1 ZINC000181985670 624926580 /nfs/dbraw/zinc/92/65/80/624926580.db2.gz QYRPDGXQVVWEPO-AWEZNQCLSA-N 0 3 291.354 3.311 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC000999182067 625825322 /nfs/dbraw/zinc/82/53/22/625825322.db2.gz BOWMZPYGGKTJHR-UHFFFAOYSA-N 0 3 298.858 3.144 20 30 CGEDHN N#Cc1cc(CNC[C@@H]2OCCc3sccc32)cs1 ZINC000921792661 625876782 /nfs/dbraw/zinc/87/67/82/625876782.db2.gz PDQVTOWOHMJWQD-ZDUSSCGKSA-N 0 3 290.413 3.085 20 30 CGEDHN C[C@@H](C[C@H](O)c1cccs1)NCc1csc(C#N)c1 ZINC000921950928 625943200 /nfs/dbraw/zinc/94/32/00/625943200.db2.gz UHTLMQIXMQLZTR-GWCFXTLKSA-N 0 3 292.429 3.283 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2cc(Cl)cs2)CC1 ZINC001006089207 626154685 /nfs/dbraw/zinc/15/46/85/626154685.db2.gz WLPKSUTUDXMNPA-UHFFFAOYSA-N 0 3 298.839 3.124 20 30 CGEDHN C=CCCCOC(=O)C(C)(C)N(C)C1CCCC1 ZINC000754870055 626591446 /nfs/dbraw/zinc/59/14/46/626591446.db2.gz FJZNCJDDNBZLGL-UHFFFAOYSA-N 0 3 253.386 3.149 20 30 CGEDHN C[C@@H]1C[C@H]([NH2+]CCCCC#N)c2c1c(F)ccc2[O-] ZINC000756534348 626713045 /nfs/dbraw/zinc/71/30/45/626713045.db2.gz KEDZVIBBLVSHHT-PWSUYJOCSA-N 0 3 262.328 3.363 20 30 CGEDHN C=CCC[C@@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000756762055 626730257 /nfs/dbraw/zinc/73/02/57/626730257.db2.gz WBKIPFHNJILJLQ-ZIAGYGMSSA-N 0 3 270.380 3.273 20 30 CGEDHN C#CC[C@@H](NCc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000756996101 626746174 /nfs/dbraw/zinc/74/61/74/626746174.db2.gz ONUXNIASGVYGTJ-LJQANCHMSA-N 0 3 292.382 3.499 20 30 CGEDHN C=CCN(Cc1cnn(Cc2ccccc2)c1)C(C)C ZINC000757085681 626753616 /nfs/dbraw/zinc/75/36/16/626753616.db2.gz PLFFRAJSDOLOOE-UHFFFAOYSA-N 0 3 269.392 3.328 20 30 CGEDHN C#C[C@H](CC)NCc1cccc(OCC(F)(F)F)c1 ZINC000809685960 626770828 /nfs/dbraw/zinc/77/08/28/626770828.db2.gz DIABXMWTVWHHCN-GFCCVEGCSA-N 0 3 271.282 3.129 20 30 CGEDHN C#CCN(Cc1ccccc1)CC1(OC)CCCC1 ZINC000809717404 626859765 /nfs/dbraw/zinc/85/97/65/626859765.db2.gz HQUQASKIWFUDBZ-UHFFFAOYSA-N 0 3 257.377 3.081 20 30 CGEDHN C#CCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000766901040 627368205 /nfs/dbraw/zinc/36/82/05/627368205.db2.gz JEOPUPVIOPJKEC-VYDXJSESSA-N 0 3 257.377 3.250 20 30 CGEDHN C#CCCOc1ccc(CN2CCC(=C)CC2)cc1 ZINC000769339567 627543821 /nfs/dbraw/zinc/54/38/21/627543821.db2.gz SERJQAGQPODBSW-UHFFFAOYSA-N 0 3 255.361 3.241 20 30 CGEDHN C#CCCOc1ccc(CN(C)CCOC(C)(C)C)cc1 ZINC000769515169 627561760 /nfs/dbraw/zinc/56/17/60/627561760.db2.gz KKWPMDPBFOQHGW-UHFFFAOYSA-N 0 3 289.419 3.336 20 30 CGEDHN C#CCCCCC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000773278819 627871125 /nfs/dbraw/zinc/87/11/25/627871125.db2.gz JUIZJTMPMLQFAB-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN C=C(C)CCN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000775620384 628114311 /nfs/dbraw/zinc/11/43/11/628114311.db2.gz OJAQWKHWWQDMPT-MRXNPFEDSA-N 0 3 288.391 3.064 20 30 CGEDHN CCCCCCON=Cc1ccc(N2CCOCC2)cc1 ZINC000783553157 628724667 /nfs/dbraw/zinc/72/46/67/628724667.db2.gz QATDPBRULAJBHU-UHFFFAOYSA-N 0 3 290.407 3.454 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000785617058 628875069 /nfs/dbraw/zinc/87/50/69/628875069.db2.gz HSILAQYSKSWFCE-GOSISDBHSA-N 0 3 290.366 3.270 20 30 CGEDHN C=C(Cl)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785708884 628881957 /nfs/dbraw/zinc/88/19/57/628881957.db2.gz JXSUMKRRBMDJQN-UHFFFAOYSA-N 0 3 279.767 3.192 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCCCC#N)c1 ZINC000805854808 629032118 /nfs/dbraw/zinc/03/21/18/629032118.db2.gz YMLFCJBKYZJWAB-HNNXBMFYSA-N 0 3 297.358 3.116 20 30 CGEDHN C#C[C@H](C)N(C)CCc1cccc(Cl)c1Cl ZINC000789309554 629122907 /nfs/dbraw/zinc/12/29/07/629122907.db2.gz UNCIGELIGCXZAL-JTQLQIEISA-N 0 3 256.176 3.489 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cccc(OC)c2OC(F)F)C1 ZINC000862443261 629375056 /nfs/dbraw/zinc/37/50/56/629375056.db2.gz NCWBWHQFGUTBQF-LBPRGKRZSA-N 0 3 295.329 3.142 20 30 CGEDHN CC(C)(C#N)CCN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792897871 629391817 /nfs/dbraw/zinc/39/18/17/629391817.db2.gz GMBXTLZROQBVDH-CMPLNLGQSA-N 0 3 275.223 3.442 20 30 CGEDHN CC[C@@H](C)CON=Cc1ccc(N(C)CCC#N)cc1 ZINC000793147127 629417538 /nfs/dbraw/zinc/41/75/38/629417538.db2.gz YZWOMUOMKUAKDA-CQSZACIVSA-N 0 3 273.380 3.433 20 30 CGEDHN CON=Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794890817 629595107 /nfs/dbraw/zinc/59/51/07/629595107.db2.gz DWRDPMRDYWWZQC-UHFFFAOYSA-N 0 3 266.344 3.230 20 30 CGEDHN COCCCON=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000795050770 629627793 /nfs/dbraw/zinc/62/77/93/629627793.db2.gz IGVDPBCLSVUIFL-GJWZEZQRSA-N 0 3 288.391 3.337 20 30 CGEDHN C=CCC[C@H](NC[C@@H](O)CC(C)C)c1ccco1 ZINC000796722350 629820041 /nfs/dbraw/zinc/82/00/41/629820041.db2.gz DBUQABXLTMTLTH-KBPBESRZSA-N 0 3 251.370 3.284 20 30 CGEDHN C=C(Cl)CNC1CCN(c2ccccc2OC)CC1 ZINC000865470991 630138039 /nfs/dbraw/zinc/13/80/39/630138039.db2.gz IIEBRMWXXLEXIJ-UHFFFAOYSA-N 0 3 280.799 3.006 20 30 CGEDHN C=C(C)COCCNCc1cc(Cl)ccc1OC ZINC000125795929 634793168 /nfs/dbraw/zinc/79/31/68/634793168.db2.gz XSAGMRCGSAECIY-UHFFFAOYSA-N 0 3 269.772 3.031 20 30 CGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000800384937 630270068 /nfs/dbraw/zinc/27/00/68/630270068.db2.gz NJAZZUTZWOQYBF-HIFRSBDPSA-N 0 3 286.375 3.469 20 30 CGEDHN C[C@H](C#N)OCCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000801921391 630366732 /nfs/dbraw/zinc/36/67/32/630366732.db2.gz BLLYVFGLOQEOIM-IIAWOOMASA-N 0 3 290.432 3.094 20 30 CGEDHN CCOc1ccccc1[C@@H](CC)NCCO[C@@H](C)C#N ZINC000801937553 630370531 /nfs/dbraw/zinc/37/05/31/630370531.db2.gz PPQHVKLNDSGXDC-DZGCQCFKSA-N 0 3 276.380 3.055 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000865698679 630386801 /nfs/dbraw/zinc/38/68/01/630386801.db2.gz FFXQVBRXHBMMNH-VBNZEHGJSA-N 0 3 276.355 3.348 20 30 CGEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1nc(Cl)c(C#N)s1 ZINC000804442439 630527410 /nfs/dbraw/zinc/52/74/10/630527410.db2.gz BZYKZKRBFRJKEY-NXEZZACHSA-N 0 3 298.843 3.343 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OCC)cc2)cc1 ZINC000809609351 630761132 /nfs/dbraw/zinc/76/11/32/630761132.db2.gz HOVNWPUUYCXFNF-UHFFFAOYSA-N 0 3 265.356 3.356 20 30 CGEDHN C#Cc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000809621844 630764336 /nfs/dbraw/zinc/76/43/36/630764336.db2.gz SKFBLLRMQZXYOS-IBGZPJMESA-N 0 3 279.383 3.271 20 30 CGEDHN C#Cc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000809630239 630768146 /nfs/dbraw/zinc/76/81/46/630768146.db2.gz PWVPGAOWSITJCR-QKKBWIMNSA-N 0 3 297.423 3.256 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809749322 630798656 /nfs/dbraw/zinc/79/86/56/630798656.db2.gz MKGZPIGKHKAXOP-KRWDZBQOSA-N 0 3 299.414 3.222 20 30 CGEDHN C#Cc1ccc(CN(C)Cc2ccccc2N(C)C)cc1 ZINC000809787752 630809731 /nfs/dbraw/zinc/80/97/31/630809731.db2.gz IRVKBXWMINURIE-UHFFFAOYSA-N 0 3 278.399 3.366 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H]2CC(C)=C[C@@H](C)C2)n1 ZINC000811497872 631076391 /nfs/dbraw/zinc/07/63/91/631076391.db2.gz WWTMENUOJQEDRM-NVXWUHKLSA-N 0 3 285.435 3.331 20 30 CGEDHN C=CCCCCCCCNC(=O)N1CCN2CCC1CC2 ZINC000811927773 631133647 /nfs/dbraw/zinc/13/36/47/631133647.db2.gz NSHLGOAWAXGAAK-UHFFFAOYSA-N 0 3 293.455 3.003 20 30 CGEDHN Cc1cccc(CNN=C2CCCc3ccc(N)cc32)c1 ZINC000814873092 631660922 /nfs/dbraw/zinc/66/09/22/631660922.db2.gz NAGPKISMQSUYAC-UHFFFAOYSA-N 0 3 279.387 3.407 20 30 CGEDHN C[C@]12CCN([C@@H]3CC[C@@H](C#N)C3)C[C@H]1C2(Cl)Cl ZINC000815114741 631720514 /nfs/dbraw/zinc/72/05/14/631720514.db2.gz USWHVGJIJUWRDD-KKOKHZNYSA-N 0 3 273.207 3.194 20 30 CGEDHN C=CCC(C)(C)CNCc1c(Cl)nc(Cl)n1C ZINC000815141953 631728519 /nfs/dbraw/zinc/72/85/19/631728519.db2.gz KYLNWTOFFRIWHW-UHFFFAOYSA-N 0 3 276.211 3.419 20 30 CGEDHN CN(CCC(=O)c1ccccc1)CCc1cccc(C#N)c1 ZINC000879432530 635786990 /nfs/dbraw/zinc/78/69/90/635786990.db2.gz BYPOIFCBLBZSFK-UHFFFAOYSA-N 0 3 292.382 3.306 20 30 CGEDHN CC[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(C#N)cc1 ZINC000866615835 633215368 /nfs/dbraw/zinc/21/53/68/633215368.db2.gz XAEWKUHVHZCWTK-SWLSCSKDSA-N 0 3 268.364 3.094 20 30 CGEDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)c([O-])c1 ZINC000866616751 633216061 /nfs/dbraw/zinc/21/60/61/633216061.db2.gz AWUYHDVVIKZNOE-CXAGYDPISA-N 0 3 292.382 3.390 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2sccc2[C@H]1CC ZINC000876602068 634865597 /nfs/dbraw/zinc/86/55/97/634865597.db2.gz GSTVMYASZIFYSW-NWDGAFQWSA-N 0 3 298.839 3.054 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc3c(cccc3C)[nH]2)C1 ZINC000826535450 633411604 /nfs/dbraw/zinc/41/16/04/633411604.db2.gz XDWDOXWEKCELKN-AWEZNQCLSA-N 0 3 252.361 3.322 20 30 CGEDHN N#CC(C(=O)C1=CCCCCC1)c1nnc2n1CCCCC2 ZINC000123845344 633912567 /nfs/dbraw/zinc/91/25/67/633912567.db2.gz JTYYIRODAROLTC-CQSZACIVSA-N 0 3 298.390 3.071 20 30 CGEDHN C[C@@H](NCCCCC#N)c1c(F)cccc1[N+](=O)[O-] ZINC000872031712 633950474 /nfs/dbraw/zinc/95/04/74/633950474.db2.gz LQKLJXSRJNQBIW-SNVBAGLBSA-N 0 3 265.288 3.078 20 30 CGEDHN Cc1cc(F)ccc1[C@@H]1CCCN1CCO[C@H](C)C#N ZINC000832524720 634069831 /nfs/dbraw/zinc/06/98/31/634069831.db2.gz RCBLGVWNKABJJR-CJNGLKHVSA-N 0 3 276.355 3.200 20 30 CGEDHN CC(C)(C)c1ccc(CNC[C@H](O)c2ccc(C#N)cc2)o1 ZINC000872234482 634086406 /nfs/dbraw/zinc/08/64/06/634086406.db2.gz SZYGVRDHUDBLQU-INIZCTEOSA-N 0 3 298.386 3.272 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2ccnc(C)c2)cc1 ZINC000834859776 634257908 /nfs/dbraw/zinc/25/79/08/634257908.db2.gz JAIUGNQUAMXXEX-HNNXBMFYSA-N 0 3 280.371 3.253 20 30 CGEDHN C=CC(C)(C)CCCNCc1c(Cl)cnn1C ZINC000873151675 634259575 /nfs/dbraw/zinc/25/95/75/634259575.db2.gz ONRSIAOFKLIURD-UHFFFAOYSA-N 0 3 255.793 3.156 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834894181 634271407 /nfs/dbraw/zinc/27/14/07/634271407.db2.gz RFJHSVBIGYMTND-PBOSXPJTSA-N 0 3 291.366 3.403 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(C)cc1C ZINC000876589858 634863352 /nfs/dbraw/zinc/86/33/52/634863352.db2.gz PKUFMLBCYUXHTA-DZGCQCFKSA-N 0 3 294.826 3.293 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@H]1CC(C)C ZINC000876674883 634878538 /nfs/dbraw/zinc/87/85/38/634878538.db2.gz VSJGGWYCOBXCFL-KBPBESRZSA-N 0 3 286.847 3.274 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCCc2ccccc21 ZINC000876685516 634880905 /nfs/dbraw/zinc/88/09/05/634880905.db2.gz GCCWBDYWSZWRHD-CQSZACIVSA-N 0 3 292.810 3.216 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000876907118 634926277 /nfs/dbraw/zinc/92/62/77/634926277.db2.gz BONGPJCZNNFJPT-TZMCWYRMSA-N 0 3 298.858 3.275 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(SC)c1 ZINC000876952059 634934748 /nfs/dbraw/zinc/93/47/48/634934748.db2.gz KPKIKCKVFFPOIH-LLVKDONJSA-N 0 3 284.812 3.125 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC000876954043 634935990 /nfs/dbraw/zinc/93/59/90/634935990.db2.gz BMTCFRIDRMOLNI-UONOGXRCSA-N 0 3 284.831 3.028 20 30 CGEDHN CCCC1(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877093042 634982317 /nfs/dbraw/zinc/98/23/17/634982317.db2.gz DIRHEVWNVDAEDF-UHFFFAOYSA-N 0 3 263.772 3.277 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)CCOC)c([O-])c1 ZINC000840709723 635039202 /nfs/dbraw/zinc/03/92/02/635039202.db2.gz FYMGIWPCAPQFLQ-QFGUUYLXSA-N 0 3 292.423 3.330 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CC=CCC2)c1 ZINC000877655550 635133921 /nfs/dbraw/zinc/13/39/21/635133921.db2.gz BQWLPFKGSNOWMD-LBPRGKRZSA-N 0 3 275.783 3.443 20 30 CGEDHN N#Cc1cnc(Cl)c(CN[C@]23C[C@H]2CCCC3)c1 ZINC000877685546 635146102 /nfs/dbraw/zinc/14/61/02/635146102.db2.gz BIOJEKWKOMTJQK-TZMCWYRMSA-N 0 3 261.756 3.029 20 30 CGEDHN CCCNN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841618384 635198240 /nfs/dbraw/zinc/19/82/40/635198240.db2.gz DOISPUYVGUGADV-QGZVFWFLSA-N 0 3 271.408 3.342 20 30 CGEDHN CC(C)C[C@@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000842017941 635254972 /nfs/dbraw/zinc/25/49/72/635254972.db2.gz VLPPWUQTYZFWCX-OAHLLOKOSA-N 0 3 290.407 3.308 20 30 CGEDHN CC(C)(NCc1cc(C#N)ccc1F)[C@@H]1CCCCO1 ZINC000879408386 635779585 /nfs/dbraw/zinc/77/95/85/635779585.db2.gz JOKSZSYQEHDLLC-HNNXBMFYSA-N 0 3 276.355 3.135 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000879996590 635893002 /nfs/dbraw/zinc/89/30/02/635893002.db2.gz UFIYHKJNACMLLT-OAHLLOKOSA-N 0 3 292.398 3.147 20 30 CGEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098043 635913140 /nfs/dbraw/zinc/91/31/40/635913140.db2.gz FKIQZFNNILXKET-NXEZZACHSA-N 0 3 271.286 3.443 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(C(F)(F)F)nc1 ZINC000880100121 635913994 /nfs/dbraw/zinc/91/39/94/635913994.db2.gz RYASCVIMTPFMOU-SNVBAGLBSA-N 0 3 283.297 3.445 20 30 CGEDHN N#CC(C(=O)C=CC1CCCCCC1)c1ccncn1 ZINC000845512897 636042864 /nfs/dbraw/zinc/04/28/64/636042864.db2.gz DYFDYEPXHLALDP-DANTVBBOSA-N 0 3 269.348 3.179 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2cn(-c3ccccc3)nn2)C1 ZINC000845951271 636122836 /nfs/dbraw/zinc/12/28/36/636122836.db2.gz HWAZWDFXKAOBLV-HUUCEWRRSA-N 0 3 282.391 3.102 20 30 CGEDHN C#CCC1(O)CCN(c2ccnc3ccc(CC)cc32)CC1 ZINC000882968414 636482506 /nfs/dbraw/zinc/48/25/06/636482506.db2.gz NHULUGXKFYITAQ-UHFFFAOYSA-N 0 3 294.398 3.152 20 30 CGEDHN CC(C)(C)c1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000848392939 636566352 /nfs/dbraw/zinc/56/63/52/636566352.db2.gz KQKURWUWLZCGMT-CQSZACIVSA-N 0 3 287.407 3.334 20 30 CGEDHN c1cnc(C2CCC2)c(N=NC2CCCN3CCCC[C@H]23)n1 ZINC000848410908 636570605 /nfs/dbraw/zinc/57/06/05/636570605.db2.gz KEASRAUKNJEHFI-OAHLLOKOSA-N 0 3 299.422 3.160 20 30 CGEDHN C=CCC[C@@H](NCc1ncc(C)s1)[C@H]1CCCO1 ZINC000883192996 636576842 /nfs/dbraw/zinc/57/68/42/636576842.db2.gz MISADZOAQDBFFU-CHWSQXEVSA-N 0 3 266.410 3.055 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OCCC)c(OC)c2)C1 ZINC000848923513 636693996 /nfs/dbraw/zinc/69/39/96/636693996.db2.gz MAYZQXKUVNZVCI-OAHLLOKOSA-N 0 3 287.403 3.329 20 30 CGEDHN C#C[C@H]1CCCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000848923280 636694519 /nfs/dbraw/zinc/69/45/19/636694519.db2.gz HYIFYGRXHAUCQF-KRWDZBQOSA-N 0 3 293.414 3.334 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cn(C)nc2C2CCCCC2)C1 ZINC000848923793 636695930 /nfs/dbraw/zinc/69/59/30/636695930.db2.gz JQYSFAKIGWAIBD-OAHLLOKOSA-N 0 3 285.435 3.313 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3nc(C)sc3c2)C1 ZINC000848924710 636696866 /nfs/dbraw/zinc/69/68/66/636696866.db2.gz YKMVJBCRLIDSEZ-ZDUSSCGKSA-N 0 3 270.401 3.450 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccccc1Br ZINC000883389444 636733167 /nfs/dbraw/zinc/73/31/67/636733167.db2.gz QQIXDXAHSOVALJ-RYUDHWBXSA-N 0 3 298.224 3.427 20 30 CGEDHN C#CCN1CCC(C(=O)NC[C@@H](CCC)CCCC)CC1 ZINC000084825604 636767112 /nfs/dbraw/zinc/76/71/12/636767112.db2.gz NMBVRGJDQFQQTE-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN CC(C)[C@@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000886217713 637462040 /nfs/dbraw/zinc/46/20/40/637462040.db2.gz GIHQPGBVANWPPK-OAHLLOKOSA-N 0 3 285.416 3.372 20 30 CGEDHN C=CCCn1cc(CN[C@@H](Cc2ccccc2)C(C)C)nn1 ZINC000886218135 637463291 /nfs/dbraw/zinc/46/32/91/637463291.db2.gz OMTZEMFTQMVHCU-SFHVURJKSA-N 0 3 298.434 3.211 20 30 CGEDHN C#CCC1(NCc2ccsc2Cl)CCOCC1 ZINC000886379123 637521356 /nfs/dbraw/zinc/52/13/56/637521356.db2.gz OTCGIQNAHBQZHA-UHFFFAOYSA-N 0 3 269.797 3.064 20 30 CGEDHN C#CCOCCN[C@@H](COc1ccccc1)c1ccccc1 ZINC000851903235 637538279 /nfs/dbraw/zinc/53/82/79/637538279.db2.gz WAWLJRHEEJPUNW-IBGZPJMESA-N 0 3 295.382 3.046 20 30 CGEDHN C#CCOCCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000852003206 637569149 /nfs/dbraw/zinc/56/91/49/637569149.db2.gz SQNWLTYSYDGECK-UHFFFAOYSA-N 0 3 275.779 3.079 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CC[C@@H](OC)C1 ZINC000852041197 637577006 /nfs/dbraw/zinc/57/70/06/637577006.db2.gz RHJYPHPSEKREDR-DLBZAZTESA-N 0 3 291.439 3.410 20 30 CGEDHN C#CCN(C(=O)[C@H](CC)CCCCC)C1CCN(C)CC1 ZINC000886579001 637590597 /nfs/dbraw/zinc/59/05/97/637590597.db2.gz TXUSCSDZLIMYAF-MRXNPFEDSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCC[C@H](O)CNC(C)(C)c1ccc(F)cc1F ZINC000886901257 637718356 /nfs/dbraw/zinc/71/83/56/637718356.db2.gz UOHFUEPDMRPGBL-LBPRGKRZSA-N 0 3 269.335 3.117 20 30 CGEDHN CC[C@H](C)CON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853349770 637821047 /nfs/dbraw/zinc/82/10/47/637821047.db2.gz HYGAPPDQOINELA-AWEZNQCLSA-N 0 3 290.407 3.044 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)CCCCCC ZINC000856199664 638320195 /nfs/dbraw/zinc/32/01/95/638320195.db2.gz DHKCKWSLTUKOJB-IYBDPMFKSA-N 0 3 278.440 3.208 20 30 CGEDHN CCCCCCCN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856789698 638391012 /nfs/dbraw/zinc/39/10/12/638391012.db2.gz OIOUTEGMYBSUDM-MRXNPFEDSA-N 0 3 295.448 3.216 20 30 CGEDHN C#CCCCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925161913 638465359 /nfs/dbraw/zinc/46/53/59/638465359.db2.gz ROUUGVPNGOQTTE-GOSISDBHSA-N 0 3 264.372 3.482 20 30 CGEDHN COc1cc(C)ccc1CN[C@@H](C)CC(C)(C)C#N ZINC000925260036 638486552 /nfs/dbraw/zinc/48/65/52/638486552.db2.gz MDBGPHHRRFCSTM-ZDUSSCGKSA-N 0 3 260.381 3.422 20 30 CGEDHN COCC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccco1 ZINC000926113782 638709733 /nfs/dbraw/zinc/70/97/33/638709733.db2.gz AQNGBBHKSJYBCH-STQMWFEESA-N 0 3 264.369 3.275 20 30 CGEDHN C=C1CCC(CN[C@@H](C)c2cc(OC)no2)CC1 ZINC000926925911 638826546 /nfs/dbraw/zinc/82/65/46/638826546.db2.gz QXLMARJZLMHYMO-NSHDSACASA-N 0 3 250.342 3.080 20 30 CGEDHN C[C@H](NC[C@@H]1CCCC2(CCC2)O1)c1cc(C#N)ccn1 ZINC000927013725 638831610 /nfs/dbraw/zinc/83/16/10/638831610.db2.gz YHBCNDKIQWDYSS-ZFWWWQNUSA-N 0 3 285.391 3.096 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000929586033 638932712 /nfs/dbraw/zinc/93/27/12/638932712.db2.gz JGOZQRTZVARMAL-KRWDZBQOSA-N 0 3 291.398 3.408 20 30 CGEDHN CC(C)C[C@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930226913 638984629 /nfs/dbraw/zinc/98/46/29/638984629.db2.gz NVXAOVGLLLFNEU-CABCVRRESA-N 0 3 280.799 3.291 20 30 CGEDHN N#CC1CCC(CN2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000930502944 639012310 /nfs/dbraw/zinc/01/23/10/639012310.db2.gz NOWWHCYZUCHVNZ-UHFFFAOYSA-N 0 3 298.386 3.190 20 30 CGEDHN CC(C)CN(Cc1ccc(F)c(Cl)c1)C[C@H](O)CC#N ZINC000931166004 639120531 /nfs/dbraw/zinc/12/05/31/639120531.db2.gz WFLFXBAKPGLZGT-CYBMUJFWSA-N 0 3 298.789 3.212 20 30 CGEDHN C=CC1(CC(=O)N(C)[C@@H]2CN3CCC2CC3)CCCCC1 ZINC000932540141 639348807 /nfs/dbraw/zinc/34/88/07/639348807.db2.gz VHGFFIHDBVRNPU-MRXNPFEDSA-N 0 3 290.451 3.066 20 30 CGEDHN N#CCCCN1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000932621912 639366566 /nfs/dbraw/zinc/36/65/66/639366566.db2.gz BMQMQKBJEBMISI-UHFFFAOYSA-N 0 3 289.448 3.190 20 30 CGEDHN C#CCC1(NCC(=O)Nc2cccc(C(C)C)c2)CCC1 ZINC000933303414 639437049 /nfs/dbraw/zinc/43/70/49/639437049.db2.gz VHPUVPVOJCFAHQ-UHFFFAOYSA-N 0 3 284.403 3.284 20 30 CGEDHN Cc1cc(C)cc(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933653624 639474897 /nfs/dbraw/zinc/47/48/97/639474897.db2.gz ZSESJTANQVLJOZ-UHFFFAOYSA-N 0 3 285.387 3.141 20 30 CGEDHN N#Cc1cc(CN2CCCSC[C@@H]2C2CC2)ccc1F ZINC000933915010 639506452 /nfs/dbraw/zinc/50/64/52/639506452.db2.gz FQHMOVHYVOMOOU-MRXNPFEDSA-N 0 3 290.407 3.415 20 30 CGEDHN N#Cc1ccccc1CN1CCCSC[C@@H]1C1CC1 ZINC000933917892 639508119 /nfs/dbraw/zinc/50/81/19/639508119.db2.gz NYZVRHBZZUUIMN-MRXNPFEDSA-N 0 3 272.417 3.276 20 30 CGEDHN C[C@H](Cc1cccnc1)NCc1ccc(Cl)cc1C#N ZINC000934233623 639565352 /nfs/dbraw/zinc/56/53/52/639565352.db2.gz KSTWSENKFJPIRB-GFCCVEGCSA-N 0 3 285.778 3.327 20 30 CGEDHN Fc1ccc(C#CCN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000934695190 639659462 /nfs/dbraw/zinc/65/94/62/639659462.db2.gz MQDFLSJQKJIXLR-GOSISDBHSA-N 0 3 280.346 3.313 20 30 CGEDHN COc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1C#N ZINC000934694642 639659699 /nfs/dbraw/zinc/65/96/99/639659699.db2.gz IFRCQDVUSDHDNS-GOSISDBHSA-N 0 3 293.370 3.203 20 30 CGEDHN C#CCN(C)[C@H](C)c1ccc(Br)cc1 ZINC000194971580 640561536 /nfs/dbraw/zinc/56/15/36/640561536.db2.gz ARTICCVQSMSFKC-SNVBAGLBSA-N 0 3 252.155 3.075 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001007438922 640942271 /nfs/dbraw/zinc/94/22/71/640942271.db2.gz XFPHLVSWXMAWPM-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001016338191 640995558 /nfs/dbraw/zinc/99/55/58/640995558.db2.gz XIMJCPDJAMSTAT-HNNXBMFYSA-N 0 3 298.386 3.121 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001017794958 641016391 /nfs/dbraw/zinc/01/63/91/641016391.db2.gz QJAZCEBSXCRVSA-IYBDPMFKSA-N 0 3 290.451 3.230 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)CCCCC ZINC001155653705 805599675 /nfs/dbraw/zinc/59/96/75/805599675.db2.gz BYLMVQZKYNKWHJ-HZPDHXFCSA-N 0 3 280.456 3.053 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)CCC ZINC001157702469 805854738 /nfs/dbraw/zinc/85/47/38/805854738.db2.gz UCZQIEATUFKUSZ-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C(C)=C1CCCC1 ZINC001157791581 805872462 /nfs/dbraw/zinc/87/24/62/805872462.db2.gz QRAWNPVQLOIUCD-QGZVFWFLSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001157908114 805902389 /nfs/dbraw/zinc/90/23/89/805902389.db2.gz LAEIXJGVNLJLOC-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1ccccn1 ZINC001252119799 806005831 /nfs/dbraw/zinc/00/58/31/806005831.db2.gz GJMFAOJAWJDAKC-MRXNPFEDSA-N 0 3 264.413 3.283 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cccnc1OC ZINC001252135559 806022165 /nfs/dbraw/zinc/02/21/65/806022165.db2.gz FKEBRNZVYRNYBF-INIZCTEOSA-N 0 3 294.439 3.291 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1ccc(C#N)o1 ZINC001252138842 806023854 /nfs/dbraw/zinc/02/38/54/806023854.db2.gz DURIZEULTFCIOG-CQSZACIVSA-N 0 3 278.396 3.352 20 30 CGEDHN C=C[C@@](C)(O)CN[C@H](c1ccncc1)c1ccccc1C ZINC001252541594 806059343 /nfs/dbraw/zinc/05/93/43/806059343.db2.gz PEGQQEGLVCVIDL-QZTJIDSGSA-N 0 3 282.387 3.006 20 30 CGEDHN C=C[C@](C)(O)CNCc1c(Cl)cccc1C(F)(F)F ZINC001252577147 806073934 /nfs/dbraw/zinc/07/39/34/806073934.db2.gz VFVMVNSXWQBNJG-LBPRGKRZSA-N 0 3 293.716 3.385 20 30 CGEDHN C=CCC[C@@H](O)CNCc1cc(C)ccc1Cl ZINC001252618746 806091395 /nfs/dbraw/zinc/09/13/95/806091395.db2.gz FDSSWRCYZZKBRU-CYBMUJFWSA-N 0 3 253.773 3.065 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H](C)CCC)CC1 ZINC001159500053 806113986 /nfs/dbraw/zinc/11/39/86/806113986.db2.gz SSIUCFFXRPMGCW-HNNXBMFYSA-N 0 3 278.440 3.137 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCc1ccnnc1 ZINC001252987467 806148433 /nfs/dbraw/zinc/14/84/33/806148433.db2.gz TUAJKXSAFXRWDD-QGZVFWFLSA-N 0 3 293.455 3.458 20 30 CGEDHN C=CCCCCCC[C@H](O)CN(C)Cc1ccncc1 ZINC001253233637 806187403 /nfs/dbraw/zinc/18/74/03/806187403.db2.gz JULOJQQTPSXPIC-KRWDZBQOSA-N 0 3 276.424 3.401 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2CCC(=C)CC2)CC1 ZINC001161121519 806350082 /nfs/dbraw/zinc/35/00/82/806350082.db2.gz LNLDJQWDAUDQEP-UHFFFAOYSA-N 0 3 288.435 3.057 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2(CC=C)CCC2)CC1 ZINC001161126013 806352944 /nfs/dbraw/zinc/35/29/44/806352944.db2.gz LTGJXILXJNGFAI-UHFFFAOYSA-N 0 3 288.435 3.057 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001161155528 806353795 /nfs/dbraw/zinc/35/37/95/806353795.db2.gz OHHCHHBGJUAUGF-INIZCTEOSA-N 0 3 290.451 3.137 20 30 CGEDHN COc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1C(F)(F)F ZINC001254642615 806469140 /nfs/dbraw/zinc/46/91/40/806469140.db2.gz IYZSFGGUJFMMCA-PWSUYJOCSA-N 0 3 298.308 3.496 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001254661469 806478276 /nfs/dbraw/zinc/47/82/76/806478276.db2.gz UKLDCJFQUFMFTO-WBVHZDCISA-N 0 3 279.387 3.236 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001254661467 806478474 /nfs/dbraw/zinc/47/84/74/806478474.db2.gz UKLDCJFQUFMFTO-NVXWUHKLSA-N 0 3 279.387 3.236 20 30 CGEDHN CC(C)c1noc([C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC001254670716 806481325 /nfs/dbraw/zinc/48/13/25/806481325.db2.gz LNUAAXBZZYDYQT-BFHYXJOUSA-N 0 3 288.395 3.065 20 30 CGEDHN N#CCC1(N[C@@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC001255109259 806544828 /nfs/dbraw/zinc/54/48/28/806544828.db2.gz PNOVHDBAODSQEC-QGZVFWFLSA-N 0 3 283.419 3.077 20 30 CGEDHN CC[C@@H](CC#N)NCC1(Cc2ccccc2OC)CC1 ZINC001255160545 806559527 /nfs/dbraw/zinc/55/95/27/806559527.db2.gz LDXDPPBLQUUSKY-HNNXBMFYSA-N 0 3 272.392 3.300 20 30 CGEDHN CC[C@H](CC#N)NC(C)(C)Cc1ccc(OC)cc1 ZINC001255160628 806559830 /nfs/dbraw/zinc/55/98/30/806559830.db2.gz NCTBRSCWERNUQS-CQSZACIVSA-N 0 3 260.381 3.298 20 30 CGEDHN CC[C@@H](CC#N)NC1(Cc2ccccc2)CCOCC1 ZINC001255162253 806561099 /nfs/dbraw/zinc/56/10/99/806561099.db2.gz LQIJLGJADQULDL-INIZCTEOSA-N 0 3 272.392 3.060 20 30 CGEDHN C[C@@H](N)c1nc2ccccc2n1-c1ccccc1CS ZINC001162778222 806663194 /nfs/dbraw/zinc/66/31/94/806663194.db2.gz ZRUVGNUUKBRXSH-LLVKDONJSA-N 0 3 283.400 3.475 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506038 798966053 /nfs/dbraw/zinc/96/60/53/798966053.db2.gz AROGZUVBXUPPDN-SJLPKXTDSA-N 0 3 287.403 3.252 20 30 CGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 ZINC000131465579 799028357 /nfs/dbraw/zinc/02/83/57/799028357.db2.gz WRLFVJWGYUCJHC-NHYWBVRUSA-N 0 3 284.359 3.257 20 30 CGEDHN N#CC(C(=O)C=CSCc1ccco1)c1ccccn1 ZINC000255341267 799170833 /nfs/dbraw/zinc/17/08/33/799170833.db2.gz NZIQCHBMIPOVNO-OYVUYXNMSA-N 0 3 284.340 3.298 20 30 CGEDHN C=CCOCCCNCc1nc(C(C)(C)C)cs1 ZINC000691805092 799786993 /nfs/dbraw/zinc/78/69/93/799786993.db2.gz KMVFJOZJHLDNJK-UHFFFAOYSA-N 0 3 268.426 3.123 20 30 CGEDHN C(#Cc1ccccc1)CNC[C@H]1CCC2(CCCC2)O1 ZINC000691831497 799787776 /nfs/dbraw/zinc/78/77/76/799787776.db2.gz QDBNFSMEZZAOBP-QGZVFWFLSA-N 0 3 269.388 3.120 20 30 CGEDHN CCCCCCCNCc1ccc(C(=O)OC)o1 ZINC000705956030 799956865 /nfs/dbraw/zinc/95/68/65/799956865.db2.gz YJTFCPIJCDOSFY-UHFFFAOYSA-N 0 3 253.342 3.126 20 30 CGEDHN C#Cc1ccc(CN(Cc2ccccn2)C(C)C)cc1 ZINC000809550951 800445373 /nfs/dbraw/zinc/44/53/73/800445373.db2.gz PANLGXCBGSWMCJ-UHFFFAOYSA-N 0 3 264.372 3.474 20 30 CGEDHN COc1cccc(C[C@H](C)NC2(CC#N)CCCC2)c1 ZINC001256156748 806838204 /nfs/dbraw/zinc/83/82/04/806838204.db2.gz POCSJNXHYFOBFN-AWEZNQCLSA-N 0 3 272.392 3.442 20 30 CGEDHN Cc1ccc([C@@H](O)[C@@H](C)NCc2csc(C#N)c2)cc1 ZINC000922122497 800615886 /nfs/dbraw/zinc/61/58/86/800615886.db2.gz MPBMMHICVPGGCC-WBMJQRKESA-N 0 3 286.400 3.140 20 30 CGEDHN C=CCN1CCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001024411532 800728670 /nfs/dbraw/zinc/72/86/70/800728670.db2.gz RGXZLMYEOWDUBQ-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024662243 800733014 /nfs/dbraw/zinc/73/30/14/800733014.db2.gz UVJUORNJYWPGNC-BRWVUGGUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638038 800734280 /nfs/dbraw/zinc/73/42/80/800734280.db2.gz RHFMGKCSAVYHBZ-UYSNPLJNSA-N 0 3 296.430 3.062 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027843135 800821578 /nfs/dbraw/zinc/82/15/78/800821578.db2.gz PXILQKJDOVCWLW-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001027906179 800826793 /nfs/dbraw/zinc/82/67/93/800826793.db2.gz KPIBGBMTHMAAKP-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1 ZINC001032741607 800934693 /nfs/dbraw/zinc/93/46/93/800934693.db2.gz STNKLRHWWIZHBE-NJAFHUGGSA-N 0 3 298.430 3.041 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(C)(C)C1 ZINC001032808455 800937231 /nfs/dbraw/zinc/93/72/31/800937231.db2.gz ZHYJDUGPLRWBFR-JYJNAYRXSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033181222 800953664 /nfs/dbraw/zinc/95/36/64/800953664.db2.gz GVRLFNFVIYKGFL-SJORKVTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033631909 800970747 /nfs/dbraw/zinc/97/07/47/800970747.db2.gz XCBNIINJAWGAKQ-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033616983 800970825 /nfs/dbraw/zinc/97/08/25/800970825.db2.gz LLPVTIJVQSXHCM-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033733558 800979212 /nfs/dbraw/zinc/97/92/12/800979212.db2.gz DIZXVWGHBCOZMA-MRXNPFEDSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034386932 801023639 /nfs/dbraw/zinc/02/36/39/801023639.db2.gz VWULNMBQZFONBF-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034477687 801028034 /nfs/dbraw/zinc/02/80/34/801028034.db2.gz PDHQQVIVOLZTFG-CVEARBPZSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001038981032 801140361 /nfs/dbraw/zinc/14/03/61/801140361.db2.gz CUAZTRYVEYHKEV-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001039422230 801160954 /nfs/dbraw/zinc/16/09/54/801160954.db2.gz OXRPPJCVUTYLLV-OWCLPIDISA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(CC)(CC)CC)C[C@H]21 ZINC001042290531 801203901 /nfs/dbraw/zinc/20/39/01/801203901.db2.gz PVTGHBYFQYDMGL-HZPDHXFCSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001045605095 801281334 /nfs/dbraw/zinc/28/13/34/801281334.db2.gz FNSSBPPFHKAWTR-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046413922 801308888 /nfs/dbraw/zinc/30/88/88/801308888.db2.gz CZHJQROIVIDRDN-WMZOPIPTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)=C1CCCC1 ZINC001049412844 801370288 /nfs/dbraw/zinc/37/02/88/801370288.db2.gz QDBBBQXRYCNEEJ-IAGOWNOFSA-N 0 3 288.435 3.128 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419142 801370576 /nfs/dbraw/zinc/37/05/76/801370576.db2.gz MLHLUNKQVWQYFK-CABCVRRESA-N 0 3 292.398 3.035 20 30 CGEDHN CCC[C@@H](C)CC[C@@H](C)N1CCN(CCC#N)CC1 ZINC001257481915 807178079 /nfs/dbraw/zinc/17/80/79/807178079.db2.gz NAMWGANPUNQDJL-HZPDHXFCSA-N 0 3 265.445 3.123 20 30 CGEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CC ZINC001049671429 801384422 /nfs/dbraw/zinc/38/44/22/801384422.db2.gz LHOLNKGHYRNOOY-QZTJIDSGSA-N 0 3 298.430 3.114 20 30 CGEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC001052891153 801455333 /nfs/dbraw/zinc/45/53/33/801455333.db2.gz LKPJIOKZAUKETP-GOSISDBHSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071391751 801532722 /nfs/dbraw/zinc/53/27/22/801532722.db2.gz MULBESFBUHARQP-ZBFHGGJFSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071419848 801534612 /nfs/dbraw/zinc/53/46/12/801534612.db2.gz FQFJJBQDUKOITP-RHSMWYFYSA-N 0 3 290.451 3.422 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071714817 801547676 /nfs/dbraw/zinc/54/76/76/801547676.db2.gz BBMHNYUCNAMLBZ-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085584667 801696015 /nfs/dbraw/zinc/69/60/15/801696015.db2.gz KRYHKLHUQBNQDJ-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001085982604 801716025 /nfs/dbraw/zinc/71/60/25/801716025.db2.gz ONAWZDZKGMFOSH-SFHVURJKSA-N 0 3 298.430 3.286 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC001088298175 801782803 /nfs/dbraw/zinc/78/28/03/801782803.db2.gz GEHUANCAWDMKGQ-KBPBESRZSA-N 0 3 298.858 3.146 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2C(C)C)[C@H]1C ZINC001088606877 801803628 /nfs/dbraw/zinc/80/36/28/801803628.db2.gz SKIQNQHEUBXUMI-QAPCUYQASA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cscc2Cl)[C@H]1C ZINC001088642668 801804736 /nfs/dbraw/zinc/80/47/36/801804736.db2.gz RQFQFXQZEGIEOX-MFKMUULPSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001088980288 801816443 /nfs/dbraw/zinc/81/64/43/801816443.db2.gz CQCYPHVKXNVXDS-OAGGEKHMSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccco1 ZINC001089596135 801843390 /nfs/dbraw/zinc/84/33/90/801843390.db2.gz UXTBQBMMWPDSMW-CQSZACIVSA-N 0 3 290.407 3.076 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001089626495 801847363 /nfs/dbraw/zinc/84/73/63/801847363.db2.gz KDDQCTPXUTZVNL-UYSNPLJNSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001091217584 801854149 /nfs/dbraw/zinc/85/41/49/801854149.db2.gz BVADFFGVJBWKDK-MOKVOYLWSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccs1)C2 ZINC001095128843 801881066 /nfs/dbraw/zinc/88/10/66/801881066.db2.gz CAFGSBGCSVXPCT-RDBSUJKOSA-N 0 3 290.432 3.049 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccccc1)C2 ZINC001098233485 801907608 /nfs/dbraw/zinc/90/76/08/801907608.db2.gz LKFNRIQKYVLJCD-HPBDAGMYSA-N 0 3 298.430 3.088 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001098888374 801917463 /nfs/dbraw/zinc/91/74/63/801917463.db2.gz MOTRFULKIUXAGJ-HOTGVXAUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C=C)CC ZINC001099188430 801932043 /nfs/dbraw/zinc/93/20/43/801932043.db2.gz FZAPAVVFQWQKHJ-JKSUJKDBSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001099257330 801935045 /nfs/dbraw/zinc/93/50/45/801935045.db2.gz DITFGWOTHSHZCJ-HZPDHXFCSA-N 0 3 294.483 3.461 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102327437 802005538 /nfs/dbraw/zinc/00/55/38/802005538.db2.gz UHYPKXZNXQXFQL-DITYWLEZSA-N 0 3 298.858 3.025 20 30 CGEDHN C=CCCCC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103385239 802033186 /nfs/dbraw/zinc/03/31/86/802033186.db2.gz JIEAUSSJSIGPJI-UKRRQHHQSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C=C(/C)CC)C[C@H]1C ZINC001104160320 802045169 /nfs/dbraw/zinc/04/51/69/802045169.db2.gz QRKGWNQHBKXHGT-MKGJVGOLSA-N 0 3 298.858 3.169 20 30 CGEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)F)C2 ZINC001108855421 802101861 /nfs/dbraw/zinc/10/18/61/802101861.db2.gz GEZCLJMEHJJKRW-ILXRZTDVSA-N 0 3 298.446 3.426 20 30 CGEDHN C=CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC)c1ccccc1 ZINC001110131216 802131912 /nfs/dbraw/zinc/13/19/12/802131912.db2.gz XLHQHOOFUPOWFR-OWSLCNJRSA-N 0 3 298.430 3.088 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001110374745 802138554 /nfs/dbraw/zinc/13/85/54/802138554.db2.gz MCBAHMDSQFXRFU-JJXSEGSLSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C)CCCC1)C2 ZINC001110529218 802143638 /nfs/dbraw/zinc/14/36/38/802143638.db2.gz XLMYAEWXYQVJFL-OAGGEKHMSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCCC(=O)N1CCN(CC2CCC(C)(C)CC2)CC1 ZINC001112687720 802184389 /nfs/dbraw/zinc/18/43/89/802184389.db2.gz PEPVFPGAGDVEAS-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC001112693698 802185529 /nfs/dbraw/zinc/18/55/29/802185529.db2.gz NUWKJNMDMIWNNX-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCC2CC2)CC1 ZINC001113237393 802209708 /nfs/dbraw/zinc/20/97/08/802209708.db2.gz PFWHVOANXNDKCW-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C[C@@H](Cc1ccncc1)N(CCC#N)C1CCCC1 ZINC001256743755 806968798 /nfs/dbraw/zinc/96/87/98/806968798.db2.gz SQJFLVLXSXIKJE-AWEZNQCLSA-N 0 3 257.381 3.171 20 30 CGEDHN CC(C)N1CCN(c2nccc3ccc(C#N)cc32)C[C@H]1C ZINC001165199105 806974463 /nfs/dbraw/zinc/97/44/63/806974463.db2.gz HURDINQLSKQYCW-CQSZACIVSA-N 0 3 294.402 3.025 20 30 CGEDHN N#CC1(CN[C@H]2CCO[C@@H](c3ccccc3)C2)CCC1 ZINC001256783987 806976918 /nfs/dbraw/zinc/97/69/18/806976918.db2.gz FQKAOGGIHJVOOJ-JKSUJKDBSA-N 0 3 270.376 3.190 20 30 CGEDHN C=C[C@H](COC)NCc1cccc(SCC)c1 ZINC001116654397 802392721 /nfs/dbraw/zinc/39/27/21/802392721.db2.gz ABTCWJLERAIHKV-CYBMUJFWSA-N 0 3 251.395 3.089 20 30 CGEDHN CN(Cc1cncc(C#N)c1)CC1(c2ccccc2)CC1 ZINC001119837600 802702010 /nfs/dbraw/zinc/70/20/10/802702010.db2.gz MOVWBVLSZPMNLY-UHFFFAOYSA-N 0 3 277.371 3.117 20 30 CGEDHN COc1ccc2nccc(N3CCC(C)(C#N)CC3)c2c1 ZINC001119954178 802714156 /nfs/dbraw/zinc/71/41/56/802714156.db2.gz MPSRTORGUXTNOE-UHFFFAOYSA-N 0 3 281.359 3.373 20 30 CGEDHN C=CCN1CCC(Nc2cc(C)nc(C3CCC3)n2)CC1 ZINC001120021889 802726371 /nfs/dbraw/zinc/72/63/71/802726371.db2.gz TXZPNRIZOFKNQB-UHFFFAOYSA-N 0 3 286.423 3.115 20 30 CGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)CCC)C2 ZINC001120859022 802787745 /nfs/dbraw/zinc/78/77/45/802787745.db2.gz LFQHDKFPTUXSRQ-VBTSJIPESA-N 0 3 298.858 3.192 20 30 CGEDHN CN1CCCC[C@H]1CNc1ncc(C#N)c2ccsc21 ZINC001120883480 802790980 /nfs/dbraw/zinc/79/09/80/802790980.db2.gz DJQFOYSNJONPFX-LBPRGKRZSA-N 0 3 286.404 3.064 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc2ccccc21 ZINC001121912922 802851257 /nfs/dbraw/zinc/85/12/57/802851257.db2.gz SKBDXHKRJWNCBH-QGZVFWFLSA-N 0 3 282.387 3.140 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCC[C@H](F)C1)c1nc2ccccc2[nH]1 ZINC001122020672 802856182 /nfs/dbraw/zinc/85/61/82/802856182.db2.gz RCNIGNHLLZWUKB-GRYCIOLGSA-N 0 3 285.322 3.267 20 30 CGEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CC=CC1 ZINC001122518969 802874122 /nfs/dbraw/zinc/87/41/22/802874122.db2.gz TUHJPKNIYGLCBJ-LLVKDONJSA-N 0 3 266.300 3.360 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@H]1C ZINC001131912081 803357955 /nfs/dbraw/zinc/35/79/55/803357955.db2.gz RQSRCHZDLKOZFF-KMUBWGIJSA-N 0 3 278.440 3.134 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131989164 803364059 /nfs/dbraw/zinc/36/40/59/803364059.db2.gz UPUBAONNEDWLPH-HOCLYGCPSA-N 0 3 278.440 3.278 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)CC)CC[C@@H]1C ZINC001132054914 803369942 /nfs/dbraw/zinc/36/99/42/803369942.db2.gz UWWYPKYHTWFKEA-GJZGRUSLSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001132071478 803370887 /nfs/dbraw/zinc/37/08/87/803370887.db2.gz BDFAIMFAKSOFNA-HOTGVXAUSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(CC(=C)C)C2)CCC1 ZINC001132283477 803392673 /nfs/dbraw/zinc/39/26/73/803392673.db2.gz XXHNMPKLPQXPRZ-HOTGVXAUSA-N 0 3 290.451 3.278 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2c[nH]c3c2cccc3F)CC1 ZINC001137057680 803677570 /nfs/dbraw/zinc/67/75/70/803677570.db2.gz LZLKDTPRQNGVHI-GFCCVEGCSA-N 0 3 271.339 3.433 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc3cc(C)ccc3n2)C1 ZINC001137216906 803698617 /nfs/dbraw/zinc/69/86/17/803698617.db2.gz BGFRQXQNBMBTPY-OAHLLOKOSA-N 0 3 264.372 3.388 20 30 CGEDHN COc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)c(C#N)c1 ZINC001137699658 803760380 /nfs/dbraw/zinc/76/03/80/803760380.db2.gz PEQFWYGUXLZAKR-ZIAGYGMSSA-N 0 3 270.376 3.189 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1[O-] ZINC001138625440 803982752 /nfs/dbraw/zinc/98/27/52/803982752.db2.gz KXFBYLSNVNTLIY-YOEHRIQHSA-N 0 3 287.403 3.122 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1[O-] ZINC001138625440 803982756 /nfs/dbraw/zinc/98/27/56/803982756.db2.gz KXFBYLSNVNTLIY-YOEHRIQHSA-N 0 3 287.403 3.122 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCCO[C@@H](C)C1 ZINC001138663295 803996380 /nfs/dbraw/zinc/99/63/80/803996380.db2.gz RQCNMYUZEHQOEW-HNNXBMFYSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@](C)(O)[C@@H](C)C1 ZINC001138662401 803996775 /nfs/dbraw/zinc/99/67/75/803996775.db2.gz WYTUGHJGKSDXHG-YJBOKZPZSA-N 0 3 289.419 3.234 20 30 CGEDHN COc1cc(C)c(CN2CCC(C#N)CC2)c(C)c1C ZINC001138723519 804019493 /nfs/dbraw/zinc/01/94/93/804019493.db2.gz RWCNBJZKQHEGHT-UHFFFAOYSA-N 0 3 272.392 3.356 20 30 CGEDHN SC1CCN(Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138952848 804082356 /nfs/dbraw/zinc/08/23/56/804082356.db2.gz XEZVUOCFQLLWED-UHFFFAOYSA-N 0 3 281.812 3.062 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2Cc2ccccn2)c1 ZINC001139651551 804244361 /nfs/dbraw/zinc/24/43/61/804244361.db2.gz PNZBKOPUIBOZKS-KRWDZBQOSA-N 0 3 295.361 3.299 20 30 CGEDHN CCCCCCC[C@@H](CC(C)C)N[C@H]1CNCCC1=O ZINC001246287119 804260321 /nfs/dbraw/zinc/26/03/21/804260321.db2.gz FJKSTDACVOTUKG-HOTGVXAUSA-N 0 3 282.472 3.282 20 30 CGEDHN CCCCCCC[C@H](CCC)N[C@@H]1CNCCC1=O ZINC001246295068 804264010 /nfs/dbraw/zinc/26/40/10/804264010.db2.gz SMYGVUMWWYYXMK-LSDHHAIUSA-N 0 3 268.445 3.036 20 30 CGEDHN C=CCN(Cc1cnc2c(c1)OCCO2)C1CCCCC1 ZINC001139737494 804269288 /nfs/dbraw/zinc/26/92/88/804269288.db2.gz NUMBWABOQVDPQM-UHFFFAOYSA-N 0 3 288.391 3.174 20 30 CGEDHN CCCCCCCC[C@@H](CC)N1CC2(C1)CNCCO2 ZINC001246618496 804452021 /nfs/dbraw/zinc/45/20/21/804452021.db2.gz GBSPKDVWKCDKQJ-MRXNPFEDSA-N 0 3 282.472 3.190 20 30 CGEDHN N#Cc1ccc(Cl)c(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC001140599821 804471053 /nfs/dbraw/zinc/47/10/53/804471053.db2.gz SAQNQYFANTWXJF-STQMWFEESA-N 0 3 260.768 3.444 20 30 CGEDHN Cc1cc(CN2CCC[C@@H](C#N)CC2)cc(C)c1O ZINC001140658943 804485504 /nfs/dbraw/zinc/48/55/04/804485504.db2.gz HCPXRSHDCLDHKT-CQSZACIVSA-N 0 3 258.365 3.135 20 30 CGEDHN N#Cc1c(N)sc(CN2CC[C@@H]3CCC[C@H]3C2)c1Cl ZINC001141106544 804590182 /nfs/dbraw/zinc/59/01/82/804590182.db2.gz BPALWNQJKZNZTC-UWVGGRQHSA-N 0 3 295.839 3.477 20 30 CGEDHN N#Cc1c(N)sc(CN2C[C@@H]3CCCC[C@H]3C2)c1Cl ZINC001141107035 804590470 /nfs/dbraw/zinc/59/04/70/804590470.db2.gz NKQAQBDUDTXJLK-UWVGGRQHSA-N 0 3 295.839 3.477 20 30 CGEDHN C[C@@H]1C[C@@H](C)CN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141114069 804591955 /nfs/dbraw/zinc/59/19/55/804591955.db2.gz CMAJJTMGUWARHC-RKDXNWHRSA-N 0 3 283.828 3.333 20 30 CGEDHN C=CCNCc1nc2ccc(SCCC)cc2[nH]1 ZINC001247020355 804645595 /nfs/dbraw/zinc/64/55/95/804645595.db2.gz PNNYUAHEJFRJCW-UHFFFAOYSA-N 0 3 261.394 3.341 20 30 CGEDHN CSc1nc(CN2CCCC[C@@H](C)C2)ccc1C#N ZINC001141929207 804680379 /nfs/dbraw/zinc/68/03/79/804680379.db2.gz PPYZJGAKOGIGJE-GFCCVEGCSA-N 0 3 275.421 3.297 20 30 CGEDHN CCCc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001142353927 804717669 /nfs/dbraw/zinc/71/76/69/804717669.db2.gz FBTZFKDNDZVBMR-INIZCTEOSA-N 0 3 287.428 3.413 20 30 CGEDHN CCCc1ccc(CN2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001142353927 804717671 /nfs/dbraw/zinc/71/76/71/804717671.db2.gz FBTZFKDNDZVBMR-INIZCTEOSA-N 0 3 287.428 3.413 20 30 CGEDHN COc1cc(C)c(CN2CCC(C#N)CC2)c(C)c1 ZINC001142931533 804786843 /nfs/dbraw/zinc/78/68/43/804786843.db2.gz RIKNXDILYUWGPO-UHFFFAOYSA-N 0 3 258.365 3.048 20 30 CGEDHN C=CCCNC(=S)NCCP(C(C)C)C(C)C ZINC001247691587 804796840 /nfs/dbraw/zinc/79/68/40/804796840.db2.gz HUJSALKWSKZASX-UHFFFAOYSA-N 0 3 274.414 3.325 20 30 CGEDHN C#Cc1ccc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1 ZINC001144567767 805007259 /nfs/dbraw/zinc/00/72/59/805007259.db2.gz ARUJXXVIGXZAPZ-ZIAGYGMSSA-N 0 3 285.284 3.248 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc3scnc3c2)C1 ZINC001144743664 805051257 /nfs/dbraw/zinc/05/12/57/805051257.db2.gz UVQDQAPFDATQIP-LBPRGKRZSA-N 0 3 256.374 3.142 20 30 CGEDHN CCOCC1CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429955 805147908 /nfs/dbraw/zinc/14/79/08/805147908.db2.gz XJSNQRHADUHQNM-UHFFFAOYSA-N 0 3 297.402 3.288 20 30 CGEDHN CO[C@H]1CCN(Cc2cc3ccc(C#N)cc3[nH]2)[C@H](C)C1 ZINC001249430827 805148501 /nfs/dbraw/zinc/14/85/01/805148501.db2.gz IDXBFAXFKCTMQE-WBMJQRKESA-N 0 3 283.375 3.039 20 30 CGEDHN Cc1ccc(NC2=CC[C@H](N3CCOCC3)CC2)cc1C#N ZINC001249557974 805175974 /nfs/dbraw/zinc/17/59/74/805175974.db2.gz CWOCKHGCMADVOE-SFHVURJKSA-N 0 3 297.402 3.047 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@H](F)CCCCCC)C2)C1 ZINC001148611922 805199653 /nfs/dbraw/zinc/19/96/53/805199653.db2.gz RWZUXRINVSQMPI-OAHLLOKOSA-N 0 3 296.430 3.015 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2Cc2ccccn2)c1F ZINC001249685519 805210571 /nfs/dbraw/zinc/21/05/71/805210571.db2.gz LZEZUEABPYJVPE-KRWDZBQOSA-N 0 3 295.361 3.299 20 30 CGEDHN N#CCCN(Cc1ccc(Cl)cc1)c1cc(N)ccn1 ZINC001167134865 807161243 /nfs/dbraw/zinc/16/12/43/807161243.db2.gz FBPVJOALTHPVLH-UHFFFAOYSA-N 0 3 286.766 3.237 20 30 CGEDHN C=C1C[C@@H]2CC([NH2+]Cc3cccc(O)c3[O-])C[C@H](C1)C2 ZINC001257887522 807239105 /nfs/dbraw/zinc/23/91/05/807239105.db2.gz CCGOOZYGEZEBNV-NNQSOWQGSA-N 0 3 273.376 3.322 20 30 CGEDHN Cc1c2[nH]cnc2ccc1N[C@H]1CC[C@H](C#N)CC1 ZINC001167844484 807261291 /nfs/dbraw/zinc/26/12/91/807261291.db2.gz HNOCQBBPLALIML-HAQNSBGRSA-N 0 3 254.337 3.366 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC001258045266 807273439 /nfs/dbraw/zinc/27/34/39/807273439.db2.gz YQDHCWLKLKLBNH-DLBZAZTESA-N 0 3 282.472 3.142 20 30 CGEDHN CCCCC[C@H](CC)NC(=N)c1ccc(F)cn1 ZINC001258430719 807447779 /nfs/dbraw/zinc/44/77/79/807447779.db2.gz BBFDPUDTYICCQT-LBPRGKRZSA-N 0 3 251.349 3.285 20 30 CGEDHN CCCCC[C@@H](CC)NC(=N)c1ccc(F)cn1 ZINC001258430718 807448004 /nfs/dbraw/zinc/44/80/04/807448004.db2.gz BBFDPUDTYICCQT-GFCCVEGCSA-N 0 3 251.349 3.285 20 30 CGEDHN CCCCC[C@@H](CC)N1CCC(C#N)(C(=O)OC)CC1 ZINC001258448737 807456750 /nfs/dbraw/zinc/45/67/50/807456750.db2.gz XUONHNXUIVTYIN-CQSZACIVSA-N 0 3 280.412 3.124 20 30 CGEDHN CC(C)OCCCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001168681441 807475487 /nfs/dbraw/zinc/47/54/87/807475487.db2.gz CGSJPURSSCOQKB-XDHOZWIPSA-N 0 3 288.395 3.007 20 30 CGEDHN N#Cc1ccccc1CN[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168684268 807477816 /nfs/dbraw/zinc/47/78/16/807477816.db2.gz ILUGPYFQVIOGCZ-OAHLLOKOSA-N 0 3 282.774 3.469 20 30 CGEDHN N#CCC1(NC2CCN(c3ccccc3)CC2)CCCC1 ZINC001258509774 807482917 /nfs/dbraw/zinc/48/29/17/807482917.db2.gz FKJXRHGZTOSCEY-UHFFFAOYSA-N 0 3 283.419 3.471 20 30 CGEDHN N#CC[C@H]1CCCN([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168733902 807498245 /nfs/dbraw/zinc/49/82/45/807498245.db2.gz DDRBKMWZNVDSBY-OCCSQVGLSA-N 0 3 274.795 3.433 20 30 CGEDHN C=CC[C@H](C)N1CCO[C@@H](CCc2ccccc2)C1 ZINC001169080922 807569942 /nfs/dbraw/zinc/56/99/42/807569942.db2.gz XKVAZTHCZMWFQD-RDJZCZTQSA-N 0 3 259.393 3.285 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001258731702 807577441 /nfs/dbraw/zinc/57/74/41/807577441.db2.gz DGHCYIGXJUMCBG-CQSZACIVSA-N 0 3 287.382 3.174 20 30 CGEDHN CCCC[C@@H](CCC)NCc1ncc(C#N)s1 ZINC001258756240 807596239 /nfs/dbraw/zinc/59/62/39/807596239.db2.gz LRMVIUBXWDOSES-LLVKDONJSA-N 0 3 251.399 3.463 20 30 CGEDHN C#C[C@H](C)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001261179226 807713012 /nfs/dbraw/zinc/71/30/12/807713012.db2.gz FLXSBMJNEFSCIA-NSHDSACASA-N 0 3 293.292 3.002 20 30 CGEDHN CC(=O)[C@@H]1CCCN1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170406239 807835529 /nfs/dbraw/zinc/83/55/29/807835529.db2.gz UKKSPSWBNYHHSG-XBMUEBEBSA-N 0 3 296.414 3.444 20 30 CGEDHN C=CCCOCCNCc1ccc(C(F)F)c(F)c1 ZINC001262363776 807856304 /nfs/dbraw/zinc/85/63/04/807856304.db2.gz CUQGEWRQAFJUME-UHFFFAOYSA-N 0 3 273.298 3.446 20 30 CGEDHN N#CC[C@H]1CCCN([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170701613 807878111 /nfs/dbraw/zinc/87/81/11/807878111.db2.gz QWXACDJGJMXXAB-DOMZBBRYSA-N 0 3 290.357 3.448 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC001263087514 807931683 /nfs/dbraw/zinc/93/16/83/807931683.db2.gz JEALDCFIXCTBGF-AWEZNQCLSA-N 0 3 292.810 3.129 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1N(C)C ZINC001263095567 807933364 /nfs/dbraw/zinc/93/33/64/807933364.db2.gz PVQLCYMZNJFTGO-GFCCVEGCSA-N 0 3 295.814 3.028 20 30 CGEDHN Cc1ccc(F)c(CN[C@@H](C)Cc2cccc(C#N)c2)n1 ZINC001171189758 808004598 /nfs/dbraw/zinc/00/45/98/808004598.db2.gz KWHPZRAZTYVNTR-ZDUSSCGKSA-N 0 3 283.350 3.122 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn(C2CCC2)cn1 ZINC001171198711 808007940 /nfs/dbraw/zinc/00/79/40/808007940.db2.gz OJKVMXYRJUYTRY-AWEZNQCLSA-N 0 3 294.402 3.201 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001263831269 808009745 /nfs/dbraw/zinc/00/97/45/808009745.db2.gz JCTZJKGAJCVDND-BNOWGMLFSA-N 0 3 286.847 3.050 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@H](C(F)(F)F)C1 ZINC001171221663 808013094 /nfs/dbraw/zinc/01/30/94/808013094.db2.gz RPKMAOGDZKIGNQ-RISCZKNCSA-N 0 3 282.309 3.373 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CC(C)(C)OC(C)(C)C1 ZINC001171228918 808013855 /nfs/dbraw/zinc/01/38/55/808013855.db2.gz JTYQSGMHTGYKLY-CQSZACIVSA-N 0 3 286.419 3.379 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3c(F)cc(F)cc3C2)CCC1 ZINC001171336856 808030756 /nfs/dbraw/zinc/03/07/56/808030756.db2.gz NGSACWPAXVLCNN-CYBMUJFWSA-N 0 3 276.330 3.106 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)CCCCCC(C)C)[C@H]1C ZINC001264163707 808042830 /nfs/dbraw/zinc/04/28/30/808042830.db2.gz WSPYGTFUTIRTBQ-CVEARBPZSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1sccc1C ZINC001264179415 808044921 /nfs/dbraw/zinc/04/49/21/808044921.db2.gz ULIXQKXPOOMSJM-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN CC#CCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001264369352 808060522 /nfs/dbraw/zinc/06/05/22/808060522.db2.gz UYRPPCWOVUHPGC-LKUPDRCFSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C1CCC(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)CC1 ZINC001264956433 808101951 /nfs/dbraw/zinc/10/19/51/808101951.db2.gz LSUVLMZOPQYFMX-KRWDZBQOSA-N 0 3 298.430 3.252 20 30 CGEDHN CC[C@H](C)OCC[C@H](C)NCc1ccccc1C#N ZINC001172320356 808229388 /nfs/dbraw/zinc/22/93/88/808229388.db2.gz XIYQCEQMXLAVRW-KBPBESRZSA-N 0 3 260.381 3.242 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCN(C)CC1=CCCCC1 ZINC001266306221 808240283 /nfs/dbraw/zinc/24/02/83/808240283.db2.gz HXYKDNZZVBAKNC-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C[C@H](CCCC#N)N(C)Cc1nc2ccccc2o1 ZINC001172500076 808356375 /nfs/dbraw/zinc/35/63/75/808356375.db2.gz JLLJKEJOTWERPW-GFCCVEGCSA-N 0 3 257.337 3.342 20 30 CGEDHN C=CCN(CCNC(=O)c1oc2ccccc2c1C)C1CC1 ZINC001267337101 808417768 /nfs/dbraw/zinc/41/77/68/808417768.db2.gz GXTQTAUIGXAMLE-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN N#CC[C@H]1CCCN([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722236 808419157 /nfs/dbraw/zinc/41/91/57/808419157.db2.gz RSBJDMJPXLLJQF-WBMJQRKESA-N 0 3 274.795 3.433 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@@H](C)c1ccco1)c1ccccc1 ZINC001267523820 808439228 /nfs/dbraw/zinc/43/92/28/808439228.db2.gz XHYPYLWHICZWJB-HOCLYGCPSA-N 0 3 298.386 3.016 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCC[C@H]1CCN(C/C=C\Cl)C1 ZINC001267563417 808448010 /nfs/dbraw/zinc/44/80/10/808448010.db2.gz YQZATWICXAXAFD-PNPSXAPQSA-N 0 3 298.858 3.169 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172897002 808474426 /nfs/dbraw/zinc/47/44/26/808474426.db2.gz WCXRLGRGLSLNRZ-OAHLLOKOSA-N 0 3 299.374 3.126 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC2CC(C)(C)C2)C1 ZINC001267792360 808493998 /nfs/dbraw/zinc/49/39/98/808493998.db2.gz YRSZUYVKVNKGQK-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001268194734 808553903 /nfs/dbraw/zinc/55/39/03/808553903.db2.gz WJTWFVMPUQVBCC-KRWDZBQOSA-N 0 3 286.419 3.124 20 30 CGEDHN CCCCN(CC(=O)OCC)C1CCC(CC#N)CC1 ZINC001173336551 808617569 /nfs/dbraw/zinc/61/75/69/808617569.db2.gz DFQWDWPDJZYVRG-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN CC1(C#N)CCC(NCC(=O)c2ccc(F)cc2F)CC1 ZINC001173586477 808647704 /nfs/dbraw/zinc/64/77/04/808647704.db2.gz SQCPABMKHSFKLI-UHFFFAOYSA-N 0 3 292.329 3.210 20 30 CGEDHN CC1(C#N)CCC(N2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC001173592651 808648575 /nfs/dbraw/zinc/64/85/75/808648575.db2.gz XLGMMBZHZBAGJC-DGNOSDGRSA-N 0 3 274.408 3.292 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001269134118 808650314 /nfs/dbraw/zinc/65/03/14/808650314.db2.gz HCSKXYBEZTWRKX-QGZVFWFLSA-N 0 3 286.419 3.042 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001269172556 808651788 /nfs/dbraw/zinc/65/17/88/808651788.db2.gz QDCXMTXMIGAIAT-MRXNPFEDSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001272126054 808797357 /nfs/dbraw/zinc/79/73/57/808797357.db2.gz RLOHJYAFSVDFLW-UHFFFAOYSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(C)cc2)C1=O ZINC001272972004 808828814 /nfs/dbraw/zinc/82/88/14/808828814.db2.gz NZDFOZVHWBTRLE-IBGZPJMESA-N 0 3 298.430 3.138 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001273204992 808838069 /nfs/dbraw/zinc/83/80/69/808838069.db2.gz QKYZAPYYJWNDNW-VXGQWTEUSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC=C ZINC001273814771 808862138 /nfs/dbraw/zinc/86/21/38/808862138.db2.gz RSYABLQIVZPFCB-SFHVURJKSA-N 0 3 298.430 3.072 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@](C)(F)CCCC)C(C)(C)C1 ZINC001274436778 808876006 /nfs/dbraw/zinc/87/60/06/808876006.db2.gz PRFVBPOHQHRVEY-PBHICJAKSA-N 0 3 298.446 3.308 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)CCCc1ccc(C)s1 ZINC001275736939 808961574 /nfs/dbraw/zinc/96/15/74/808961574.db2.gz DAHIBXSCBVSJJO-ZDUSSCGKSA-N 0 3 294.464 3.002 20 30 CGEDHN CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2CCCC#N ZINC001277943291 809107810 /nfs/dbraw/zinc/10/78/10/809107810.db2.gz RESCQSKAJYITFL-YESZJQIVSA-N 0 3 277.456 3.265 20 30 CGEDHN C=CCCCCCCCCCN1CC[C@H]2C[C@]21C(N)=O ZINC001277977561 809109448 /nfs/dbraw/zinc/10/94/48/809109448.db2.gz MNJFYMXRJTUMMD-DOTOQJQBSA-N 0 3 278.440 3.243 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CC2CCCCC2)C1 ZINC001278358870 809126875 /nfs/dbraw/zinc/12/68/75/809126875.db2.gz ZXBNZPUULHLJNA-QGZVFWFLSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001278662666 809150500 /nfs/dbraw/zinc/15/05/00/809150500.db2.gz DPUHIBCTOZIVNY-ZWKOTPCHSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001278673376 809150891 /nfs/dbraw/zinc/15/08/91/809150891.db2.gz RUGANHPEKBVNLZ-KRWDZBQOSA-N 0 3 292.467 3.361 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(CC=C)CCC2)C1 ZINC001278678327 809151473 /nfs/dbraw/zinc/15/14/73/809151473.db2.gz PSVZMYMCIZYZTB-QGZVFWFLSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001281572660 809214871 /nfs/dbraw/zinc/21/48/71/809214871.db2.gz ULSWNXUPLCMZOB-HOTGVXAUSA-N 0 3 294.483 3.461 20 30 CGEDHN C#CCN1CCC([C@@H](C)NC(=O)CCCCC(C)C)CC1 ZINC001284700389 809315589 /nfs/dbraw/zinc/31/55/89/809315589.db2.gz TWHXGXXABQCJBG-MRXNPFEDSA-N 0 3 292.467 3.053 20 30 CGEDHN N#Cc1cc(CNCCN2CCCc3ccccc32)cs1 ZINC001177519905 809804183 /nfs/dbraw/zinc/80/41/83/809804183.db2.gz RIUIWVWKUNBRMZ-UHFFFAOYSA-N 0 3 297.427 3.162 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC1CC(C)C1 ZINC001179228538 809909959 /nfs/dbraw/zinc/90/99/59/809909959.db2.gz LNHBVRXENFHCTR-UHFFFAOYSA-N 0 3 277.795 3.488 20 30 CGEDHN CCC[C@@H](CNCC1(C#N)CCOCC1)c1ccccc1 ZINC001179780934 809944688 /nfs/dbraw/zinc/94/46/88/809944688.db2.gz ZYELDLOHRUTNNW-KRWDZBQOSA-N 0 3 286.419 3.480 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@@](C)(OC)C1CC1 ZINC001180030764 809968120 /nfs/dbraw/zinc/96/81/20/809968120.db2.gz OOPWVNUVMYWWSP-MRXNPFEDSA-N 0 3 266.429 3.453 20 30 CGEDHN C[C@H](C#N)c1ccc(NC(=O)[C@@H]2CCCN2CC2CC2)cc1 ZINC001182554330 810115129 /nfs/dbraw/zinc/11/51/29/810115129.db2.gz FSDOEEMOBREALL-DYVFJYSZSA-N 0 3 297.402 3.127 20 30 CGEDHN C#CCN[C@@H]1CCN(C(=O)[C@@](C)(CC)CCCCCC)C1 ZINC001187989420 810438568 /nfs/dbraw/zinc/43/85/68/810438568.db2.gz YTCNKLCAULHPGT-AEFFLSMTSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190371949 810624191 /nfs/dbraw/zinc/62/41/91/810624191.db2.gz XFDYBSGTFIBENI-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@@H](N(C)CC=C)C1)c1ccccc1 ZINC001194174864 811027765 /nfs/dbraw/zinc/02/77/65/811027765.db2.gz ZGXXUKPKBSHJQU-MSOLQXFVSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CC[C@@H](C(=O)N1CC[C@@H](N(C)CC=C)C1)c1ccccc1 ZINC001194174865 811028232 /nfs/dbraw/zinc/02/82/32/811028232.db2.gz ZGXXUKPKBSHJQU-QZTJIDSGSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)[C@H](C)SC)CC1 ZINC001194912804 811168915 /nfs/dbraw/zinc/16/89/15/811168915.db2.gz JTZMXLZZYLXRFJ-HNNXBMFYSA-N 0 3 298.496 3.019 20 30 CGEDHN C=CCCN1CCCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001196357502 811335885 /nfs/dbraw/zinc/33/58/85/811335885.db2.gz GBLJUMWCFFQBAG-MRXNPFEDSA-N 0 3 284.419 3.015 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CCC[C@H](C2CCCCC2)C1 ZINC001196411198 811341410 /nfs/dbraw/zinc/34/14/10/811341410.db2.gz ZSCLWRACDAFYGX-JKSUJKDBSA-N 0 3 279.424 3.396 20 30 CGEDHN CCc1ccc2c(c1)CN(C[C@H](O)CC1(C#N)CCC1)CC2 ZINC001198851397 811548720 /nfs/dbraw/zinc/54/87/20/811548720.db2.gz HJTVWOGLLTWYTM-GOSISDBHSA-N 0 3 298.430 3.052 20 30 CGEDHN CCCCCCCCCCNC(=S)N[C@@H]1CCN(C)C1 ZINC001200217783 811646032 /nfs/dbraw/zinc/64/60/32/811646032.db2.gz VIBFLZNNZVIVII-OAHLLOKOSA-N 0 3 299.528 3.295 20 30 CGEDHN CCCCCCCCCN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001201840048 811970305 /nfs/dbraw/zinc/97/03/05/811970305.db2.gz SGBUTFMWVJQDQH-IXDOHACOSA-N 0 3 283.456 3.209 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)/C(C)=C/CC)C12CCC2 ZINC001202581794 812127402 /nfs/dbraw/zinc/12/74/02/812127402.db2.gz HRBDKMNHXUSQFQ-GFUGXAQUSA-N 0 3 296.842 3.112 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@]3(CCO3)C2)cc1 ZINC001204303131 812605427 /nfs/dbraw/zinc/60/54/27/812605427.db2.gz ASULBIPDQHLPIJ-KRWDZBQOSA-N 0 3 273.376 3.006 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001204303907 812606990 /nfs/dbraw/zinc/60/69/90/812606990.db2.gz RWDDYDGAKTVIQF-HNNXBMFYSA-N 0 3 270.376 3.377 20 30 CGEDHN N#C[C@H]1CCCN(Cc2cccc(OC(F)F)c2)CC1 ZINC001204843368 812752856 /nfs/dbraw/zinc/75/28/56/812752856.db2.gz VYZMBBHPJFNFEZ-LBPRGKRZSA-N 0 3 280.318 3.414 20 30 CGEDHN C=CCCCCCCCCCN1C[C@H](N)[C@@H](F)C1 ZINC001204890703 812764478 /nfs/dbraw/zinc/76/44/78/812764478.db2.gz IBRJJGBHPJWESS-GJZGRUSLSA-N 0 3 256.409 3.274 20 30 CGEDHN C=CCCN(Cc1cnn(CC)c1)Cc1ccccc1 ZINC001205538185 812996259 /nfs/dbraw/zinc/99/62/59/812996259.db2.gz DSEZUEWPKXJPCF-UHFFFAOYSA-N 0 3 269.392 3.481 20 30 CGEDHN C#CCOc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC001205917750 813134110 /nfs/dbraw/zinc/13/41/10/813134110.db2.gz OSKDMVZSIVCICA-UHFFFAOYSA-N 0 3 281.355 3.002 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3cccc(=O)[nH]3)CC2)cc1 ZINC001207070336 813478641 /nfs/dbraw/zinc/47/86/41/813478641.db2.gz PNZPIUHOUADZJF-UHFFFAOYSA-N 0 3 293.370 3.038 20 30 CGEDHN C=CCN(Cc1ccnc(CC)n1)C1CCCCC1 ZINC001207089018 813481403 /nfs/dbraw/zinc/48/14/03/813481403.db2.gz BHNMRVIZDWLNFL-UHFFFAOYSA-N 0 3 259.397 3.360 20 30 CGEDHN Cn1cc(CN2CCCC3(CC(F)C3)CC2)cc1C#N ZINC001207108918 813487867 /nfs/dbraw/zinc/48/78/67/813487867.db2.gz LAKPCCAGDTUXBS-UHFFFAOYSA-N 0 3 275.371 3.001 20 30 CGEDHN C[C@H](CCCC(C)(C)O)CCN1CC[C@@](C)(C#N)C1 ZINC001207683206 813635540 /nfs/dbraw/zinc/63/55/40/813635540.db2.gz NLFWXMFKZMYRGR-ZBFHGGJFSA-N 0 3 266.429 3.189 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCN(C3CCC3)CC2)CC1 ZINC001208171485 813724968 /nfs/dbraw/zinc/72/49/68/813724968.db2.gz UTRUPSLKJWFECN-QGZVFWFLSA-N 0 3 274.452 3.459 20 30 CGEDHN N#Cc1ccc(CCCN2CCC[C@H]2c2cnccn2)cc1 ZINC001208858526 813868757 /nfs/dbraw/zinc/86/87/57/813868757.db2.gz MAANGNXDPSDJHC-SFHVURJKSA-N 0 3 292.386 3.118 20 30 CGEDHN CCOC(=O)C1(C#N)CCN(CC2(C)CCCCC2)CC1 ZINC001208901482 813891377 /nfs/dbraw/zinc/89/13/77/813891377.db2.gz AGWCOBKFCWAVKO-UHFFFAOYSA-N 0 3 292.423 3.126 20 30 CGEDHN N#Cc1ccc(CCN2CCc3cc(C#N)ccc3C2)cc1 ZINC001208920221 813899408 /nfs/dbraw/zinc/89/94/08/813899408.db2.gz BSDNYEODVDQNRJ-UHFFFAOYSA-N 0 3 287.366 3.031 20 30 CGEDHN C=CCCCN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001209156337 813950701 /nfs/dbraw/zinc/95/07/01/813950701.db2.gz ALBGJXOHPGTEFU-OKILXGFUSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCCCCCCCCN1CCN(C(C)=O)[C@@H](C)C1 ZINC001209445011 814044923 /nfs/dbraw/zinc/04/49/23/814044923.db2.gz CWNIOKOBTZIUFI-INIZCTEOSA-N 0 3 280.456 3.456 20 30 CGEDHN C=CCCCCCCCCN1CCCN(C)C(=O)C1 ZINC001209444626 814046043 /nfs/dbraw/zinc/04/60/43/814046043.db2.gz WNLZCQVQXGLJEQ-UHFFFAOYSA-N 0 3 266.429 3.067 20 30 CGEDHN Cc1[nH]c2ncccc2c1CN(C)Cc1ccc(C#N)cc1 ZINC001209589023 814092439 /nfs/dbraw/zinc/09/24/39/814092439.db2.gz WHTLTKOZFYRRCF-UHFFFAOYSA-N 0 3 290.370 3.375 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001210112066 814295462 /nfs/dbraw/zinc/29/54/62/814295462.db2.gz RQDATDJNUKMLQK-BRWVUGGUSA-N 0 3 294.483 3.461 20 30 CGEDHN C[C@H]1CC(=O)C=C(Nc2cccc(CN(C)C)c2)C1 ZINC001210769755 814616117 /nfs/dbraw/zinc/61/61/17/814616117.db2.gz FMSIDKLYOWUMOR-GFCCVEGCSA-N 0 3 258.365 3.043 20 30 CGEDHN N#Cc1ccc2cc(O[C@@H]3CNCCC3(F)F)ccc2c1 ZINC001218449365 816218863 /nfs/dbraw/zinc/21/88/63/816218863.db2.gz UWHNRFKCIRXKIH-OAHLLOKOSA-N 0 3 288.297 3.087 20 30 CGEDHN Cc1c(C#N)ccc(O[C@@H]2CNCc3ccccc32)c1C ZINC001218484773 816239373 /nfs/dbraw/zinc/23/93/73/816239373.db2.gz WBVRNXSTWPYNPB-GOSISDBHSA-N 0 3 278.355 3.398 20 30 CGEDHN N#Cc1ccc(O[C@H]2CNCc3ccccc32)cc1Cl ZINC001218485752 816240740 /nfs/dbraw/zinc/24/07/40/816240740.db2.gz MZOKIKYZABXGSU-INIZCTEOSA-N 0 3 284.746 3.435 20 30 CGEDHN Cc1cc(C#N)cc(C)c1O[C@@H]1CNCc2ccccc21 ZINC001218485303 816241082 /nfs/dbraw/zinc/24/10/82/816241082.db2.gz GYZPKTGSWBWCAC-QGZVFWFLSA-N 0 3 278.355 3.398 20 30 CGEDHN N#Cc1ccc(CO[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC001223285934 816598714 /nfs/dbraw/zinc/59/87/14/816598714.db2.gz HYLOKCUJGVJYQI-OAHLLOKOSA-N 0 3 298.411 3.411 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC1CC1 ZINC001228094158 817810081 /nfs/dbraw/zinc/81/00/81/817810081.db2.gz MBRIZHOOUJQZRY-HUUCEWRRSA-N 0 3 298.858 3.336 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001228413344 817900429 /nfs/dbraw/zinc/90/04/29/817900429.db2.gz ITSOQSIFSODGLB-IIAWOOMASA-N 0 3 298.858 3.358 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001231341005 818079753 /nfs/dbraw/zinc/07/97/53/818079753.db2.gz GMVULAJHHNOIFT-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN N#CC1CCN(Cc2ccccc2-n2cccc2)CC1 ZINC001232909065 818469798 /nfs/dbraw/zinc/46/97/98/818469798.db2.gz GEPGMCFMTPXPGV-UHFFFAOYSA-N 0 3 265.360 3.213 20 30 CGEDHN COC[C@@]12CCC[C@@H]1CN(Cc1ccc(C)cc1C#N)C2 ZINC001232964929 818484307 /nfs/dbraw/zinc/48/43/07/818484307.db2.gz FQHPRXRYVHJKBX-MSOLQXFVSA-N 0 3 284.403 3.115 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)CCc1noc(C(C)C)n1 ZINC001233080325 818518804 /nfs/dbraw/zinc/51/88/04/818518804.db2.gz IPLZIDRJMCPCRA-UHFFFAOYSA-N 0 3 298.390 3.048 20 30 CGEDHN C[C@H]1C[C@H](C)CN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233102430 818521562 /nfs/dbraw/zinc/52/15/62/818521562.db2.gz ZGTCORBHFYURJU-STQMWFEESA-N 0 3 289.398 3.241 20 30 CGEDHN CN(C)c1ccc(CN2CCCC2(C)C)c(F)c1C#N ZINC001233097512 818521956 /nfs/dbraw/zinc/52/19/56/818521956.db2.gz SSHNQQSSCHTMEH-UHFFFAOYSA-N 0 3 275.371 3.138 20 30 CGEDHN CC(C)N1CCC[C@H](Oc2ccc(C(=O)CC#N)cc2)C1 ZINC001233526381 818633491 /nfs/dbraw/zinc/63/34/91/818633491.db2.gz QAYWOHBTVZBRBA-INIZCTEOSA-N 0 3 286.375 3.035 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001233601156 818654911 /nfs/dbraw/zinc/65/49/11/818654911.db2.gz RDVSANRUBNAIOB-QGZVFWFLSA-N 0 3 290.451 3.376 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234038382 818763032 /nfs/dbraw/zinc/76/30/32/818763032.db2.gz AVMNQQWWNQKZOV-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CC[C@@H](C)F ZINC001234518949 818872045 /nfs/dbraw/zinc/87/20/45/818872045.db2.gz YMLINLYCPXNYKV-ZBFHGGJFSA-N 0 3 296.430 3.036 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001234537300 818877050 /nfs/dbraw/zinc/87/70/50/818877050.db2.gz MLPABYSAQVLDIQ-ROJDOSBLSA-N 0 3 292.467 3.478 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001234604697 818889961 /nfs/dbraw/zinc/88/99/61/818889961.db2.gz TXVYIFDMCOOOSK-WLMCBFPDSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001234613857 818892208 /nfs/dbraw/zinc/89/22/08/818892208.db2.gz LYDRFEDNXCDLED-OAHLLOKOSA-N 0 3 284.419 3.015 20 30 CGEDHN C#C[C@@H]1CCC[C@@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234659964 818909204 /nfs/dbraw/zinc/90/92/04/818909204.db2.gz ASWGZJIRRXMTDX-APWZRJJASA-N 0 3 298.430 3.009 20 30 CGEDHN C=CC[C@H](C=C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234662054 818909413 /nfs/dbraw/zinc/90/94/13/818909413.db2.gz YONRQLLJBPDHRP-KRWDZBQOSA-N 0 3 286.419 3.338 20 30 CGEDHN N#Cc1c(OC2CCN(C3CC3)CC2)cnc2ccccc12 ZINC001234855041 818935561 /nfs/dbraw/zinc/93/55/61/818935561.db2.gz PGNSKGYZMPILQH-UHFFFAOYSA-N 0 3 293.370 3.112 20 30 CGEDHN CCCCCCCCCCCN1C[C@H]2CNC[C@@H](C1)O2 ZINC001235336929 819070866 /nfs/dbraw/zinc/07/08/66/819070866.db2.gz DTTKKBKICZOGHO-CALCHBBNSA-N 0 3 282.472 3.190 20 30 CGEDHN Cc1cc(OC(C)C)ncc1CN1CCC(CC#N)CC1 ZINC001235430489 819094637 /nfs/dbraw/zinc/09/46/37/819094637.db2.gz WRRMYGHWJSRPHP-UHFFFAOYSA-N 0 3 287.407 3.303 20 30 CGEDHN N#Cc1cncc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236233017 819395482 /nfs/dbraw/zinc/39/54/82/819395482.db2.gz KYMLFENLMYQSPY-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN Cn1cc(CN2CC3CCC2CC3)c2cc(C#N)ccc21 ZINC001237473906 819759090 /nfs/dbraw/zinc/75/90/90/819759090.db2.gz YQTRBNLXIRSNIK-UHFFFAOYSA-N 0 3 279.387 3.424 20 30 CGEDHN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CCC[C@]1(C)O ZINC001237747439 819835752 /nfs/dbraw/zinc/83/57/52/819835752.db2.gz WLJKJMNRVXNNHH-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001238001086 819908489 /nfs/dbraw/zinc/90/84/89/819908489.db2.gz RLEHAHGIKHGNNM-LLVKDONJSA-N 0 3 288.782 3.342 20 30 CGEDHN COc1cc(CN2CCCCC23CC3)ccc1C#N ZINC001238412928 819988516 /nfs/dbraw/zinc/98/85/16/819988516.db2.gz KACWFBOJVWXUDT-UHFFFAOYSA-N 0 3 256.349 3.085 20 30 CGEDHN CCc1cc(CN2CC[C@@H]3CCCO[C@H]3C2)ccc1C#N ZINC001238760339 820110233 /nfs/dbraw/zinc/11/02/33/820110233.db2.gz HWHJQFNQDIZROR-WMZOPIPTSA-N 0 3 284.403 3.122 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1[C@H](C)CNC[C@H]1C ZINC001239291410 820253458 /nfs/dbraw/zinc/25/34/58/820253458.db2.gz CWMBNPLCCJLJAO-RRFJBIMHSA-N 0 3 283.460 3.127 20 30 CGEDHN N#Cc1cc(C2=CCCN(Cc3ccccc3)C2)ccn1 ZINC001240386820 821013050 /nfs/dbraw/zinc/01/30/50/821013050.db2.gz GBHVAACXBIPWCU-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN N#Cc1ccc(C2=CCN(Cc3ccccc3)CC2)cn1 ZINC001241504383 821906364 /nfs/dbraw/zinc/90/63/64/821906364.db2.gz SZXDRJFSLFQULW-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN CN(Cc1ccc(-c2cc(F)cc(C#N)c2)nc1)C1CC1 ZINC001241655648 822033899 /nfs/dbraw/zinc/03/38/99/822033899.db2.gz WYPMAHCBHGIZOB-UHFFFAOYSA-N 0 3 281.334 3.354 20 30 CGEDHN N#Cc1cc(-c2ccc(OC3CC[NH2+]CC3)cc2)ccc1[O-] ZINC001242564740 823034916 /nfs/dbraw/zinc/03/49/16/823034916.db2.gz REVMYDZTXTUWGE-UHFFFAOYSA-N 0 3 294.354 3.062 20 30 CGEDHN C#CCN(CC)Cc1c(C)cc(C)c(COC)c1C ZINC001474382681 937856155 /nfs/dbraw/zinc/85/61/55/937856155.db2.gz OCCRSJONTMDUGK-UHFFFAOYSA-N 0 3 259.393 3.213 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001341609381 936444072 /nfs/dbraw/zinc/44/40/72/936444072.db2.gz JLZHBDAAYYHLFQ-HYVNUMGLSA-N 0 3 286.419 3.280 20 30 CGEDHN C=CCC[C@H]1CCCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC001341778240 936450817 /nfs/dbraw/zinc/45/08/17/936450817.db2.gz BCOLKYVKJDNOSW-RDJZCZTQSA-N 0 3 284.403 3.178 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC001343261744 936492647 /nfs/dbraw/zinc/49/26/47/936492647.db2.gz PHPVSXLDYYPNAM-GFCCVEGCSA-N 0 3 298.333 3.219 20 30 CGEDHN N#CC(C(=O)CC1CCCCC1)c1cccc(F)n1 ZINC001343313139 936494703 /nfs/dbraw/zinc/49/47/03/936494703.db2.gz UZLQGLZSNRINLV-GFCCVEGCSA-N 0 3 260.312 3.367 20 30 CGEDHN N#CC(C(=O)C1=CCCCCC1)c1cccc(F)n1 ZINC001343348511 936496087 /nfs/dbraw/zinc/49/60/87/936496087.db2.gz FCVPJTNQASCCAF-LBPRGKRZSA-N 0 3 258.296 3.287 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001344862863 936546745 /nfs/dbraw/zinc/54/67/45/936546745.db2.gz APFZDYABPVZMCL-YNEHKIRRSA-N 0 3 273.380 3.152 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001344865117 936547272 /nfs/dbraw/zinc/54/72/72/936547272.db2.gz ZSWTVECGHMMXBO-USZNOCQGSA-N 0 3 291.782 3.076 20 30 CGEDHN C[C@@H]1CCC[C@]1(C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001345621816 936817487 /nfs/dbraw/zinc/81/74/87/936817487.db2.gz OTBZSSLSNSRIRL-VPJDZLOFSA-N 0 3 278.302 3.362 20 30 CGEDHN C[C@@H]1CCCCN1N=Cc1ccccc1N1CCCC1 ZINC001347219744 936873943 /nfs/dbraw/zinc/87/39/43/936873943.db2.gz PIPYTASCSBHYPJ-OAHLLOKOSA-N 0 3 271.408 3.495 20 30 CGEDHN CC(C)CNN=Cc1ccccc1N1CCCCC1 ZINC001352724722 937047459 /nfs/dbraw/zinc/04/74/59/937047459.db2.gz GXIRDDJAZHGCFE-UHFFFAOYSA-N 0 3 259.397 3.256 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001345646281 926694874 /nfs/dbraw/zinc/69/48/74/926694874.db2.gz IVCZRJYBDRSMSE-BBRMVZONSA-N 0 3 271.364 3.216 20 30 CGEDHN C=CCN(CCOC1CCSCC1)CCc1ccco1 ZINC001354496191 937104376 /nfs/dbraw/zinc/10/43/76/937104376.db2.gz UUIOIJGGIGEXNL-UHFFFAOYSA-N 0 3 295.448 3.222 20 30 CGEDHN CCCCN1CCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140601624 926801897 /nfs/dbraw/zinc/80/18/97/926801897.db2.gz VPRJUOGDQANWFX-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN C=C(C)CCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC001354899585 937115993 /nfs/dbraw/zinc/11/59/93/937115993.db2.gz ULKDHNBASIDVAH-WMZOPIPTSA-N 0 3 298.430 3.486 20 30 CGEDHN C[C@H]1CC[C@H]1NCc1cc(C#N)ccc1Br ZINC001355302120 937135094 /nfs/dbraw/zinc/13/50/94/937135094.db2.gz OBESIGGNRMPMOV-TVQRCGJNSA-N 0 3 279.181 3.209 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(CCC)CCC1 ZINC001482862810 927370147 /nfs/dbraw/zinc/37/01/47/927370147.db2.gz YDFCUVNNCOATSC-CYBMUJFWSA-N 0 3 286.847 3.194 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001356566993 937161427 /nfs/dbraw/zinc/16/14/27/937161427.db2.gz JEZBIEOKUCYFDF-CYBMUJFWSA-N 0 3 287.407 3.449 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NC/C=C\Cl)C(C)(C)C1 ZINC001507445073 927508038 /nfs/dbraw/zinc/50/80/38/927508038.db2.gz VASWOICXJMDNRZ-MEJMFZKBSA-N 0 3 298.858 3.168 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCc2cc(C(C)C)ccc2C1 ZINC001473904018 937829121 /nfs/dbraw/zinc/82/91/21/937829121.db2.gz KDNCINROEAQLHX-QGZVFWFLSA-N 0 3 259.393 3.105 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(OC)ccc1C1CC1 ZINC001357999460 937185133 /nfs/dbraw/zinc/18/51/33/937185133.db2.gz GYSHWKREGDSFCD-HNNXBMFYSA-N 0 3 288.391 3.195 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001484521001 927716692 /nfs/dbraw/zinc/71/66/92/927716692.db2.gz WGCSQUYLCPJFJM-AWEZNQCLSA-N 0 3 296.842 3.068 20 30 CGEDHN C=C1CCC(C(=O)N(C)CCCN(C)C[C@@H](F)CC)CC1 ZINC001484756949 927756264 /nfs/dbraw/zinc/75/62/64/927756264.db2.gz GVSZWHJPEBBNIY-INIZCTEOSA-N 0 3 298.446 3.261 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(CC(C)C)CCC1 ZINC001485064477 927795088 /nfs/dbraw/zinc/79/50/88/927795088.db2.gz GTNXHUDBUUPYTL-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001485574607 927891787 /nfs/dbraw/zinc/89/17/87/927891787.db2.gz VCWJVJDWZBRQRY-HNNXBMFYSA-N 0 3 292.467 3.382 20 30 CGEDHN C#Cc1ccc(CN2CCC3(CC(F)(F)CO3)CC2)cc1 ZINC001144567916 928198362 /nfs/dbraw/zinc/19/83/62/928198362.db2.gz DXNIFFVVJJOKNB-UHFFFAOYSA-N 0 3 291.341 3.058 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@](CF)(C(F)(F)F)C2)cc1 ZINC001144568263 928198536 /nfs/dbraw/zinc/19/85/36/928198536.db2.gz OWOZQTGPZOPKJA-AWEZNQCLSA-N 0 3 285.284 3.392 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCN(C[C@@H](F)CC)CC(C)(C)C1 ZINC001489343662 928329787 /nfs/dbraw/zinc/32/97/87/928329787.db2.gz IPOLYQLKEFILEU-GJZGRUSLSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(C)CCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC001436504662 937281295 /nfs/dbraw/zinc/28/12/95/937281295.db2.gz ZRVILRUULQRJEX-INIZCTEOSA-N 0 3 286.419 3.252 20 30 CGEDHN C=CCC[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001439848475 937321988 /nfs/dbraw/zinc/32/19/88/937321988.db2.gz SJYUYTVSTPBDQP-WMLDXEAASA-N 0 3 296.430 3.156 20 30 CGEDHN CCCCCCCN1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC001460859024 937549859 /nfs/dbraw/zinc/54/98/59/937549859.db2.gz NPVZEMJAEPCJNP-HOTGVXAUSA-N 0 3 269.429 3.084 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@H](C#N)CC3)c2c1 ZINC001140115385 931955799 /nfs/dbraw/zinc/95/57/99/931955799.db2.gz YVTNQNYAQDMZJA-ZDUSSCGKSA-N 0 3 278.359 3.165 20 30 CGEDHN CCN1CCN(Cc2cc(C#N)ccc2Cl)C(C)(C)C1 ZINC001140603429 931959460 /nfs/dbraw/zinc/95/94/60/931959460.db2.gz NZLRUALQHHSYOA-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC001158456783 931980468 /nfs/dbraw/zinc/98/04/68/931980468.db2.gz BQZGBIMFZYSRJX-JKSUJKDBSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCCCNc1nc2cccc(Br)c2[nH]1 ZINC001162448683 931988709 /nfs/dbraw/zinc/98/87/09/931988709.db2.gz HXYYSQQDDOFWEX-UHFFFAOYSA-N 0 3 278.153 3.151 20 30 CGEDHN N#Cc1cncc(CN2CCC[C@H](C3CCCC3)C2)c1 ZINC001460948022 937555663 /nfs/dbraw/zinc/55/56/63/937555663.db2.gz MPRLERMEGITTGN-KRWDZBQOSA-N 0 3 269.392 3.355 20 30 CGEDHN CC(C)(C)c1cc(C#N)ccc1O[C@@H]1CN2CCC1CC2 ZINC001228994648 932068822 /nfs/dbraw/zinc/06/88/22/932068822.db2.gz DWCUQMMXPJXDET-QGZVFWFLSA-N 0 3 284.403 3.329 20 30 CGEDHN CC(C)N1CCC[C@H](Oc2cccc(C#N)c2Cl)C1 ZINC001229068534 932086851 /nfs/dbraw/zinc/08/68/51/932086851.db2.gz ANUWTQWUFVROBD-ZDUSSCGKSA-N 0 3 278.783 3.463 20 30 CGEDHN C=C[C@@H](C)NCc1cnn(Cc2ccccc2Cl)c1 ZINC001461339279 937576759 /nfs/dbraw/zinc/57/67/59/937576759.db2.gz IUTOCVRCHYFDMD-GFCCVEGCSA-N 0 3 275.783 3.249 20 30 CGEDHN N#Cc1cccc(OC(C(=O)c2ccco2)c2ccco2)n1 ZINC001230044034 932529289 /nfs/dbraw/zinc/52/92/89/932529289.db2.gz UYMPJHOJCPSUHU-MRXNPFEDSA-N 0 3 294.266 3.142 20 30 CGEDHN C[C@@]1(F)CCCN(Cc2ccc(C#N)s2)CC1 ZINC001232842166 932683007 /nfs/dbraw/zinc/68/30/07/932683007.db2.gz MPWZHAONXPOBNA-CYBMUJFWSA-N 0 3 252.358 3.334 20 30 CGEDHN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1nncc2n[nH]cc21 ZINC001230899796 932638971 /nfs/dbraw/zinc/63/89/71/932638971.db2.gz AASLLXVYTOHKOQ-SUNKGSAMSA-N 0 3 272.352 3.113 20 30 CGEDHN N#Cc1cnccc1-c1ccc(CN2CCCC2)c(F)c1 ZINC001244335989 932708530 /nfs/dbraw/zinc/70/85/30/932708530.db2.gz OUKXBORICGDBQN-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN C#C[C@@H](NCc1cn(-c2ccc(C)cc2)nc1C)C(C)C ZINC001462218619 937626058 /nfs/dbraw/zinc/62/60/58/937626058.db2.gz HWAMWOGCAFBPKB-GOSISDBHSA-N 0 3 281.403 3.237 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001316601114 932745599 /nfs/dbraw/zinc/74/55/99/932745599.db2.gz OKNKXXDSQIAKHS-HLRDLLSLSA-N 0 3 292.467 3.478 20 30 CGEDHN CN(C)C[C@H](NCC#Cc1ccccc1)c1ccc(F)cc1 ZINC001462318256 937631621 /nfs/dbraw/zinc/63/16/21/937631621.db2.gz VVXLJSXEZQWZDX-IBGZPJMESA-N 0 3 296.389 3.070 20 30 CGEDHN N#CCc1ccc(CNCc2cccn2C(F)F)cc1 ZINC001462381534 937636826 /nfs/dbraw/zinc/63/68/26/937636826.db2.gz LSWPQPYGOFPYJW-UHFFFAOYSA-N 0 3 275.302 3.239 20 30 CGEDHN C=CC[C@@H]1CCCN(CC(=O)N(C(C)C)C2CCCC2)C1 ZINC001307913967 933018153 /nfs/dbraw/zinc/01/81/53/933018153.db2.gz ARSJGEXUIWMEBZ-MRXNPFEDSA-N 0 3 292.467 3.454 20 30 CGEDHN CNc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC001308229783 933077324 /nfs/dbraw/zinc/07/73/24/933077324.db2.gz MKPCIAFALPYEAC-ZDUSSCGKSA-N 0 3 265.360 3.451 20 30 CGEDHN C#CCCCCCCN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC001308784428 933176118 /nfs/dbraw/zinc/17/61/18/933176118.db2.gz IKHFWUUUKRGENI-IRXDYDNUSA-N 0 3 261.409 3.214 20 30 CGEDHN CC(C)[C@H]1N(Cc2cc(C#N)ccc2N(C)C)CC1(C)C ZINC001308790259 933178351 /nfs/dbraw/zinc/17/83/51/933178351.db2.gz HPYHNIUODNCSMZ-QGZVFWFLSA-N 0 3 285.435 3.491 20 30 CGEDHN C[C@@H](NCc1ccc(O)c(F)c1F)c1cccc(C#N)c1 ZINC001308939078 933207844 /nfs/dbraw/zinc/20/78/44/933207844.db2.gz SSBWHIWUNHBTOD-SNVBAGLBSA-N 0 3 288.297 3.393 20 30 CGEDHN C=CCC1(O)CN(CC(c2ccccc2)c2ccccc2)C1 ZINC001308980544 933220374 /nfs/dbraw/zinc/22/03/74/933220374.db2.gz RMILKOJCKUSQNG-UHFFFAOYSA-N 0 3 293.410 3.441 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)C(C)(C)F)CC1 ZINC001317007900 933511732 /nfs/dbraw/zinc/51/17/32/933511732.db2.gz LKKTZYNMJAIWQD-UHFFFAOYSA-N 0 3 284.419 3.014 20 30 CGEDHN C=C(C)CN1CCC(N(CCC)C(=O)CCCC)CC1 ZINC001317006034 933511786 /nfs/dbraw/zinc/51/17/86/933511786.db2.gz BPXKKCHAQUMKLF-UHFFFAOYSA-N 0 3 280.456 3.456 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001317038235 933519670 /nfs/dbraw/zinc/51/96/70/933519670.db2.gz HAENBLQYQYISCZ-LEJCZOIISA-N 0 3 298.858 3.122 20 30 CGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCCC(C)C ZINC001317177653 933547916 /nfs/dbraw/zinc/54/79/16/933547916.db2.gz XBCFLTVIXQTSST-MRXNPFEDSA-N 0 3 280.456 3.360 20 30 CGEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNC[C@@H](F)CC ZINC001317187317 933549676 /nfs/dbraw/zinc/54/96/76/933549676.db2.gz YGODNTGUJOAVSQ-LSDHHAIUSA-N 0 3 284.419 3.062 20 30 CGEDHN C=CCN(CCNC(=O)c1ccc(C(C)C)cc1)C1CC1 ZINC001317559609 933619816 /nfs/dbraw/zinc/61/98/16/933619816.db2.gz BRADESGEYQEMMD-UHFFFAOYSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)CC(C)(F)F)c1ccccc1 ZINC001317724508 933638455 /nfs/dbraw/zinc/63/84/55/933638455.db2.gz NGDHHUNFTZWGBY-CQSZACIVSA-N 0 3 296.361 3.055 20 30 CGEDHN CC#CCN1CCC(Nc2ccccc2Cl)CC1 ZINC001319386767 933868318 /nfs/dbraw/zinc/86/83/18/933868318.db2.gz LLUAOGOOZVPACU-UHFFFAOYSA-N 0 3 262.784 3.240 20 30 CGEDHN C=C1CCC(C(=O)N(CCC)CCN2CCCCC2)CC1 ZINC001467946013 937723404 /nfs/dbraw/zinc/72/34/04/937723404.db2.gz AJBJRDXQPDWXIW-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC001320084545 933994548 /nfs/dbraw/zinc/99/45/48/933994548.db2.gz ASQGJHWIEYEMQO-AWEZNQCLSA-N 0 3 283.318 3.065 20 30 CGEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(SC)cc1 ZINC001320427777 934046465 /nfs/dbraw/zinc/04/64/65/934046465.db2.gz JWOZJZDWJYYKKT-YPMHNXCESA-N 0 3 251.395 3.260 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001323277169 934379055 /nfs/dbraw/zinc/37/90/55/934379055.db2.gz KSEFYWDTCKPOCH-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001323357635 934388612 /nfs/dbraw/zinc/38/86/12/934388612.db2.gz OJAATTJXRCLZRI-QZTJIDSGSA-N 0 3 298.430 3.113 20 30 CGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](C)CCCCCC)C1 ZINC001324657918 934542873 /nfs/dbraw/zinc/54/28/73/934542873.db2.gz UPOCDCCTZFCPMK-AEFFLSMTSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001473335226 937801731 /nfs/dbraw/zinc/80/17/31/937801731.db2.gz YYTBXSJIRBZJSI-ZIAGYGMSSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCOCCCNCc1c(Cl)cccc1N(C)C ZINC001327590317 935072597 /nfs/dbraw/zinc/07/25/97/935072597.db2.gz HDSDGAOOEQERCI-UHFFFAOYSA-N 0 3 282.815 3.088 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(F)=C1CCCC1 ZINC001328329741 935130782 /nfs/dbraw/zinc/13/07/82/935130782.db2.gz YDZLMSGAJPLDSZ-NSHDSACASA-N 0 3 288.794 3.021 20 30 CGEDHN N#CC1(c2ccccc2)CC(NCCOCC2CCC2)C1 ZINC001329408554 935213259 /nfs/dbraw/zinc/21/32/59/935213259.db2.gz BOTCFJAWLVHNLJ-UHFFFAOYSA-N 0 3 284.403 3.017 20 30 CGEDHN C=CC[C@H]1CCCN(CN2C[C@@H](c3ccccc3)CC2=O)C1 ZINC001333711320 936058875 /nfs/dbraw/zinc/05/88/75/936058875.db2.gz ZFXPGGFLMCVMSG-WMZOPIPTSA-N 0 3 298.430 3.248 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@@H](OCC=C)C2)c1 ZINC001337727476 936284360 /nfs/dbraw/zinc/28/43/60/936284360.db2.gz AMQXCDUHOHOZKV-QGZVFWFLSA-N 0 3 273.376 3.028 20 30 CGEDHN C#CCC1(NCc2cccc(OC(C)(C)C)n2)CCC1 ZINC001473819442 937823321 /nfs/dbraw/zinc/82/33/21/937823321.db2.gz FRTGGZMNEQEQSH-UHFFFAOYSA-N 0 3 272.392 3.295 20 30 CGEDHN C[C@@]12CSC[C@@H]1CN(CC#Cc1cccc(Cl)c1)C2 ZINC001473862130 937825807 /nfs/dbraw/zinc/82/58/07/937825807.db2.gz VVIMEAXVYIUMME-GOEBONIOSA-N 0 3 291.847 3.376 20 30 CGEDHN C#CCOCCN1CC=C(c2cccc(C)c2C)CC1 ZINC001473872235 937826338 /nfs/dbraw/zinc/82/63/38/937826338.db2.gz KPNITUVAXJBXGZ-UHFFFAOYSA-N 0 3 269.388 3.042 20 30 CGEDHN C=C(C)COc1cc(CNCC(C)(C)F)ccc1OC ZINC001474231193 937845409 /nfs/dbraw/zinc/84/54/09/937845409.db2.gz VCJKDUDNUPDNGY-UHFFFAOYSA-N 0 3 281.371 3.488 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001479226525 937917881 /nfs/dbraw/zinc/91/78/81/937917881.db2.gz VEWGZHFORBTMMO-PQUAAJSLSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](CC)C(C)C ZINC001479261269 937918540 /nfs/dbraw/zinc/91/85/40/937918540.db2.gz RAJPZKLTCDTHNW-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCCCN1CCC[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001479908042 937929263 /nfs/dbraw/zinc/92/92/63/937929263.db2.gz CKGFKEMQUMRHTO-JKSUJKDBSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CC(C)C ZINC001494676255 937955792 /nfs/dbraw/zinc/95/57/92/937955792.db2.gz ZGQPETRBMYZXPB-ULQDDVLXSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCC(C)(C)C(=O)NC/C=C\CNCc1ccsc1 ZINC001497687730 937966667 /nfs/dbraw/zinc/96/66/67/937966667.db2.gz ZURMJVVRBIUJSP-WAYWQWQTSA-N 0 3 292.448 3.112 20 30 CGEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCC2(C)CC2)cc1 ZINC001501682112 937980180 /nfs/dbraw/zinc/98/01/80/937980180.db2.gz YBXJFOGVKYHTQF-HNNXBMFYSA-N 0 3 298.430 3.167 20 30 CGEDHN C=C(C)CCC(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001502650501 937982864 /nfs/dbraw/zinc/98/28/64/937982864.db2.gz CLBYQTKLQGDIML-UHFFFAOYSA-N 0 3 298.430 3.385 20 30 CGEDHN C=CCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC=C(C)C ZINC001505413774 937985012 /nfs/dbraw/zinc/98/50/12/937985012.db2.gz OWBGNOFXDWPOHM-IEBWSBKVSA-N 0 3 298.430 3.291 20 30 CGEDHN C=CCC1(C(=O)N2CCC(N(C)CCF)CC2)CCCC1 ZINC001506966040 937993209 /nfs/dbraw/zinc/99/32/09/937993209.db2.gz GEJKBGIOTYNNON-UHFFFAOYSA-N 0 3 296.430 3.015 20 30 CGEDHN CCCCCCCC(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001517127113 938011124 /nfs/dbraw/zinc/01/11/24/938011124.db2.gz YPVNSHMNCVDSFT-INIZCTEOSA-N 0 3 297.439 3.143 20 30 CGEDHN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001518065722 938013970 /nfs/dbraw/zinc/01/39/70/938013970.db2.gz QELGMYVAVQNIHR-OUAUKWLOSA-N 0 3 278.302 3.218 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC001521216577 938030482 /nfs/dbraw/zinc/03/04/82/938030482.db2.gz IWONBUCYPSXRTN-HZPDHXFCSA-N 0 3 290.382 3.173 20 30 CGEDHN N#CC(C(=O)c1cncc2ccccc21)c1cccc(F)n1 ZINC001524718620 938045105 /nfs/dbraw/zinc/04/51/05/938045105.db2.gz YCPYCQUYVIXKIH-ZDUSSCGKSA-N 0 3 291.285 3.259 20 30 CGEDHN C=C(C)CN1CCN([C@H](CC)c2ccccc2)CC1 ZINC001559566888 938229937 /nfs/dbraw/zinc/22/99/37/938229937.db2.gz QEZOXJRXQWPQAB-QGZVFWFLSA-N 0 3 258.409 3.331 20 30 CGEDHN C[C@@H]1c2sccc2CCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001560112965 938244232 /nfs/dbraw/zinc/24/42/32/938244232.db2.gz TYASGQPHQUEBFX-MLGOLLRUSA-N 0 3 298.411 3.272 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@@H]1C[C@H]1C1CCC1 ZINC001560898681 938282587 /nfs/dbraw/zinc/28/25/87/938282587.db2.gz PYEFOVLQYUIZKF-KBPBESRZSA-N 0 3 258.340 3.223 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001570753654 960457262 /nfs/dbraw/zinc/45/72/62/960457262.db2.gz NJADVKJKPKDUBA-NVXWUHKLSA-N 0 3 278.440 3.136 20 30 CGEDHN CC#CCN(C)CCCNC(=O)CCCC1CCCCC1 ZINC001566513941 960559346 /nfs/dbraw/zinc/55/93/46/960559346.db2.gz BVDPEDSXNUOSQX-UHFFFAOYSA-N 0 3 292.467 3.198 20 30 CGEDHN C=CC[C@@H](C(=O)N[C@H]1CCN(CC=C)[C@@H]1C)c1ccccc1 ZINC001566114614 960876677 /nfs/dbraw/zinc/87/66/77/960876677.db2.gz LCOUIPCHYOTFNP-NXHRZFHOSA-N 0 3 298.430 3.111 20 30 CGEDHN CCCCCCCN1CCC[C@@H](NC(=O)C(C)(F)F)C1 ZINC001566614710 960974774 /nfs/dbraw/zinc/97/47/74/960974774.db2.gz JNQOUTOBLPRBCR-CYBMUJFWSA-N 0 3 290.398 3.193 20 30 CGEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001567200537 961137688 /nfs/dbraw/zinc/13/76/88/961137688.db2.gz ZLSWNAGCUASVQH-KRWDZBQOSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCC1CCCC1 ZINC001567206773 961143402 /nfs/dbraw/zinc/14/34/02/961143402.db2.gz XMIAXRIZYTVUPX-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)CCC1CCCCCC1 ZINC001567293823 961258612 /nfs/dbraw/zinc/25/86/12/961258612.db2.gz YPXHHMSPTQNSLS-UHFFFAOYSA-N 0 3 280.456 3.361 20 30 CGEDHN C=C(C)CN(CCNC(=O)CC1CCCCC1)C1CC1 ZINC001567436618 961340286 /nfs/dbraw/zinc/34/02/86/961340286.db2.gz ANCHRUVWHQVNTP-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1CC12CCC2)c1ccccc1 ZINC001567664778 961397246 /nfs/dbraw/zinc/39/72/46/961397246.db2.gz VNRCDRLRFDXXPX-IAGOWNOFSA-N 0 3 298.430 3.200 20 30 CGEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)C ZINC001567860492 961441920 /nfs/dbraw/zinc/44/19/20/961441920.db2.gz MXDJWMLIESJZTJ-JYJNAYRXSA-N 0 3 290.451 3.229 20 30 CGEDHN C=C1CCC(C(=O)NCC2CN(CC/C=C/CC)C2)CC1 ZINC001567839962 961444363 /nfs/dbraw/zinc/44/43/63/961444363.db2.gz BXFHMCPNLHKBQQ-SNAWJCMRSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H](CC)C(C)C)C1 ZINC001567925848 961462605 /nfs/dbraw/zinc/46/26/05/961462605.db2.gz UXVRDANYCHOWCS-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001568489125 961589933 /nfs/dbraw/zinc/58/99/33/961589933.db2.gz ONKSFOBIOFOGOF-CVEARBPZSA-N 0 3 292.467 3.191 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001569386329 961752279 /nfs/dbraw/zinc/75/22/79/961752279.db2.gz MARJAABZIZSHJF-HOTGVXAUSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CN(C)CC=C(C)C ZINC001570537713 961984819 /nfs/dbraw/zinc/98/48/19/961984819.db2.gz FYHPTDJQUMRMOE-IRXDYDNUSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC001570545827 961996622 /nfs/dbraw/zinc/99/66/22/961996622.db2.gz YKFMGTXLDIBRGK-HNNXBMFYSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(Cl)CNCC1CC(NC(=O)C(C)(CC)CC)C1 ZINC001570581129 962011226 /nfs/dbraw/zinc/01/12/26/962011226.db2.gz IYOIOIKNCFGNJA-UHFFFAOYSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)CCC ZINC001570671444 962035909 /nfs/dbraw/zinc/03/59/09/962035909.db2.gz URBSQLXRSWXXDQ-GFCCVEGCSA-N 0 3 288.863 3.249 20 30 CGEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCCCC(C)(C)C)C1 ZINC001571478375 962157935 /nfs/dbraw/zinc/15/79/35/962157935.db2.gz CWGKFHFFPQAXAT-HOTGVXAUSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@@]12CCC[C@@H]1N(CC=C)CC2 ZINC001571500729 962164700 /nfs/dbraw/zinc/16/47/00/962164700.db2.gz HMVGXRJNRCXFBT-FUHWJXTLSA-N 0 3 288.435 3.054 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccoc1C1CC1)C(C)C ZINC001571614682 962185042 /nfs/dbraw/zinc/18/50/42/962185042.db2.gz PYWYMRGKRXJVCI-UHFFFAOYSA-N 0 3 290.407 3.125 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](C)c1ccco1)C(C)C ZINC001571614286 962186558 /nfs/dbraw/zinc/18/65/58/962186558.db2.gz BUKDATPSHAFKSY-HNNXBMFYSA-N 0 3 292.423 3.128 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@]1(C)CCCc2ccccc21 ZINC001574902566 962329029 /nfs/dbraw/zinc/32/90/29/962329029.db2.gz CKGIEHUCSLDXST-WMZOPIPTSA-N 0 3 286.419 3.038 20 30 CGEDHN Cc1cc(CN2CCC(C3CC3)CC2)ccc1C#N ZINC000590006416 346820963 /nfs/dbraw/zinc/82/09/63/346820963.db2.gz CTFPBBXFPWRAOI-UHFFFAOYSA-N 0 3 254.377 3.489 20 30 CGEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nnc[n-]2)c2ccccc2)C1 ZINC000651761183 398284585 /nfs/dbraw/zinc/28/45/85/398284585.db2.gz HWESSCDVJVJTSX-VNQPRFMTSA-N 0 3 282.391 3.229 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000651761183 398284589 /nfs/dbraw/zinc/28/45/89/398284589.db2.gz HWESSCDVJVJTSX-VNQPRFMTSA-N 0 3 282.391 3.229 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000651811381 398290605 /nfs/dbraw/zinc/29/06/05/398290605.db2.gz PSDAXSOMZNEPSP-TZMCWYRMSA-N 0 3 276.355 3.099 20 30 CGEDHN CC[C@H](COCC(F)(F)F)NCc1cc(C#N)cs1 ZINC000449381308 529401475 /nfs/dbraw/zinc/40/14/75/529401475.db2.gz ROETZBGXIBFONV-SNVBAGLBSA-N 0 3 292.326 3.067 20 30 CGEDHN CO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000590761957 346872382 /nfs/dbraw/zinc/87/23/82/346872382.db2.gz HCYODAIYBPYDMN-IRXDYDNUSA-N 0 3 284.403 3.256 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H](C3CCC3)C2)c1F ZINC000591063068 346898228 /nfs/dbraw/zinc/89/82/28/346898228.db2.gz IENKPCCCUNTVQO-CQSZACIVSA-N 0 3 258.340 3.319 20 30 CGEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H](O)C(C)C ZINC000414297307 529651949 /nfs/dbraw/zinc/65/19/49/529651949.db2.gz PPRMNEAORBACTK-KNXALSJPSA-N 0 3 278.371 3.143 20 30 CGEDHN CCCC[C@H]1CCC[C@@H]1NCc1ccncc1C#N ZINC000592103888 346963333 /nfs/dbraw/zinc/96/33/33/346963333.db2.gz NMUFIJKAMQFRDA-BBRMVZONSA-N 0 3 257.381 3.402 20 30 CGEDHN C=CC[C@@H]1CC[C@H](NCc2c(C(F)(F)F)cnn2C)C1 ZINC000623600521 349846298 /nfs/dbraw/zinc/84/62/98/349846298.db2.gz REQRUXIDROFZCL-MNOVXSKESA-N 0 3 287.329 3.273 20 30 CGEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1ccncc1C#N ZINC000592106913 346963505 /nfs/dbraw/zinc/96/35/05/346963505.db2.gz VJTFZECKSGDXPN-DOMZBBRYSA-N 0 3 257.381 3.258 20 30 CGEDHN N#CC[C@]1(O)CCN(CCCc2cccc3ccccc32)C1 ZINC000592151395 346967771 /nfs/dbraw/zinc/96/77/71/346967771.db2.gz ODWICUZBNAKOOO-IBGZPJMESA-N 0 3 294.398 3.123 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](CO)CCC(C)C)c1 ZINC000623647863 349855575 /nfs/dbraw/zinc/85/55/75/349855575.db2.gz QSZHCJTXVFCEGL-MRXNPFEDSA-N 0 3 277.408 3.138 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@@H]2CSc3ccccc3O2)C1 ZINC000592391432 346981832 /nfs/dbraw/zinc/98/18/32/346981832.db2.gz LCRQHAUVYSWZBI-HZSPNIEDSA-N 0 3 288.416 3.212 20 30 CGEDHN C[C@H](N[C@H]1CCS[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000592401506 346985294 /nfs/dbraw/zinc/98/52/94/346985294.db2.gz XYBAKJMJWWUIQY-RBZYPMLTSA-N 0 3 264.369 3.242 20 30 CGEDHN COc1ccc(CN2CCC(CCC#N)CC2)c(OC)c1 ZINC000592517258 346994874 /nfs/dbraw/zinc/99/48/74/346994874.db2.gz NRTADCOVYVIKON-UHFFFAOYSA-N 0 3 288.391 3.220 20 30 CGEDHN CN(CCc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000160889294 529934579 /nfs/dbraw/zinc/93/45/79/529934579.db2.gz CLGSTHJYGYKDDL-UHFFFAOYSA-N 0 3 268.335 3.372 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592903475 347020779 /nfs/dbraw/zinc/02/07/79/347020779.db2.gz OOGIYXCSWYGMTL-YYIAUSFCSA-N 0 3 282.387 3.064 20 30 CGEDHN CCN(CCC1(C#N)CCCCC1)[C@H]1CCCOC1 ZINC000593071871 347035838 /nfs/dbraw/zinc/03/58/38/347035838.db2.gz VDDZOZAKMGERJT-HNNXBMFYSA-N 0 3 264.413 3.351 20 30 CGEDHN CCn1c(C)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000049406103 345073921 /nfs/dbraw/zinc/07/39/21/345073921.db2.gz WPLDMVULVGKZSC-OAHLLOKOSA-N 0 3 296.374 3.022 20 30 CGEDHN CSCC1CCC(NCc2ccc(C#N)o2)CC1 ZINC000295096087 199341961 /nfs/dbraw/zinc/34/19/61/199341961.db2.gz SAZOAXATULKSKW-UHFFFAOYSA-N 0 3 264.394 3.163 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000053580424 345122686 /nfs/dbraw/zinc/12/26/86/345122686.db2.gz SWXNPWPVWDSOFX-PBHICJAKSA-N 0 3 292.386 3.201 20 30 CGEDHN C=CCN(CCCc1cnn(C)c1)Cc1cccs1 ZINC000054315777 345132418 /nfs/dbraw/zinc/13/24/18/345132418.db2.gz LHGPSGFLWGTVSK-UHFFFAOYSA-N 0 3 275.421 3.102 20 30 CGEDHN C[C@H]1c2ccc(F)cc2CCN1CCCSCC#N ZINC000080629118 345680723 /nfs/dbraw/zinc/68/07/23/345680723.db2.gz WBGVOMGFQLABSW-LBPRGKRZSA-N 0 3 278.396 3.392 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)C1CCC(CO)CC1 ZINC000089924644 345777197 /nfs/dbraw/zinc/77/71/97/345777197.db2.gz WDGCMKHVBIHPFM-UHFFFAOYSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CC[C@H](CC)NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623990403 349938444 /nfs/dbraw/zinc/93/84/44/349938444.db2.gz BRDIOSCJRWNTRF-GOEBONIOSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](COCC)C2)cc1 ZINC000093418876 345879055 /nfs/dbraw/zinc/87/90/55/345879055.db2.gz HTJVCFARNJKZID-KRWDZBQOSA-N 0 3 289.419 3.500 20 30 CGEDHN C=CCOc1ccc(CN2CCC(CC)(CO)CC2)cc1 ZINC000093591429 345882903 /nfs/dbraw/zinc/88/29/03/345882903.db2.gz YOHWDDXWYPECHV-UHFFFAOYSA-N 0 3 289.419 3.236 20 30 CGEDHN N#Cc1cccc(CNCc2ccnc3ccccc23)c1 ZINC000111763477 345950887 /nfs/dbraw/zinc/95/08/87/345950887.db2.gz ACTGNQALZMBFCB-UHFFFAOYSA-N 0 3 273.339 3.396 20 30 CGEDHN C=CCCCN(C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000121107614 346000957 /nfs/dbraw/zinc/00/09/57/346000957.db2.gz LYXMWKGLZJTLRN-UHFFFAOYSA-N 0 3 286.419 3.080 20 30 CGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@H](C)C#N)CC3 ZINC000133041405 346075203 /nfs/dbraw/zinc/07/52/03/346075203.db2.gz JWQAYHBWNWGZDC-OLZOCXBDSA-N 0 3 267.376 3.083 20 30 CGEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000135289981 346087326 /nfs/dbraw/zinc/08/73/26/346087326.db2.gz RFDHNRFSKLDJLG-HOCLYGCPSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCCOCCNCc1ccc(C)cc1Cl ZINC000231820454 346323678 /nfs/dbraw/zinc/32/36/78/346323678.db2.gz QEQGHJDQBIBBAE-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN C=CC(C)(C)CCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000624037753 349952549 /nfs/dbraw/zinc/95/25/49/349952549.db2.gz GWHCYOKDMMYLIZ-AWEZNQCLSA-N 0 3 295.448 3.041 20 30 CGEDHN C[C@H](NCc1ccc2c[nH]nc2c1)c1cccc(C#N)c1 ZINC000237591489 346346246 /nfs/dbraw/zinc/34/62/46/346346246.db2.gz WEIZBHYWLIKQBY-LBPRGKRZSA-N 0 3 276.343 3.285 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000313481492 260297932 /nfs/dbraw/zinc/29/79/32/260297932.db2.gz LWXAWPODECBTGA-LBPRGKRZSA-N 0 3 279.380 3.329 20 30 CGEDHN CCOC(=O)[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)C[C@H]1C ZINC000593653391 347100217 /nfs/dbraw/zinc/10/02/17/347100217.db2.gz JGFAESVVMZIBRI-RBSFLKMASA-N 0 3 292.423 3.028 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000397793760 346584875 /nfs/dbraw/zinc/58/48/75/346584875.db2.gz DICBCWGPCZQFQB-CQSZACIVSA-N 0 3 265.360 3.360 20 30 CGEDHN N#CCCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000399331419 346587450 /nfs/dbraw/zinc/58/74/50/346587450.db2.gz PDMVLFQIPKVCRK-UHFFFAOYSA-N 0 3 253.349 3.074 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000491147431 346627480 /nfs/dbraw/zinc/62/74/80/346627480.db2.gz RLHIMFNMTQKFHH-GOEBONIOSA-N 0 3 275.367 3.076 20 30 CGEDHN CN(C)CCN(C(=O)CCCCCC#N)c1ccccc1 ZINC000588901437 346773492 /nfs/dbraw/zinc/77/34/92/346773492.db2.gz YTFGLPTXSYYJLD-UHFFFAOYSA-N 0 3 287.407 3.055 20 30 CGEDHN N#Cc1csc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000589200088 346789674 /nfs/dbraw/zinc/78/96/74/346789674.db2.gz ODRQJSWMKSGJRT-ZIAGYGMSSA-N 0 3 290.432 3.258 20 30 CGEDHN CCCOC1(CNCc2ccc(C#N)o2)CCCCC1 ZINC000589199661 346789837 /nfs/dbraw/zinc/78/98/37/346789837.db2.gz VPMCHNFDWQTGRY-UHFFFAOYSA-N 0 3 276.380 3.370 20 30 CGEDHN Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000593955233 347123271 /nfs/dbraw/zinc/12/32/71/347123271.db2.gz PMSYNNHLXSXICT-INIZCTEOSA-N 0 3 277.371 3.251 20 30 CGEDHN CC[C@@H](NCc1ccc(F)c(C#N)c1)[C@H]1CCCCO1 ZINC000594045838 347144156 /nfs/dbraw/zinc/14/41/56/347144156.db2.gz ZVSVEOVZPWYGTR-HZPDHXFCSA-N 0 3 276.355 3.135 20 30 CGEDHN Cc1ccc(NC(=O)CCCCC#N)c(CN(C)C)c1 ZINC000593977560 347128923 /nfs/dbraw/zinc/12/89/23/347128923.db2.gz CISLSOLPMDHZIQ-UHFFFAOYSA-N 0 3 273.380 3.079 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCCC3)O2)s1 ZINC000594523057 347189732 /nfs/dbraw/zinc/18/97/32/347189732.db2.gz MOPVOWLDUKPSPE-LBPRGKRZSA-N 0 3 276.405 3.201 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000594432720 347174839 /nfs/dbraw/zinc/17/48/39/347174839.db2.gz AXIFLGGVNCMPOB-IAGOWNOFSA-N 0 3 299.418 3.055 20 30 CGEDHN C=CCCOCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594504530 347180629 /nfs/dbraw/zinc/18/06/29/347180629.db2.gz IXWZSGUQMFFQNZ-UHFFFAOYSA-N 0 3 272.392 3.170 20 30 CGEDHN C=C[C@@H](C)N[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594501912 347180795 /nfs/dbraw/zinc/18/07/95/347180795.db2.gz FHCBBEZQQDZEJO-IAQYHMDHSA-N 0 3 259.349 3.015 20 30 CGEDHN N#Cc1ccc(C2(N[C@@H]3CC[C@@H](C#N)C3)CCC2)cc1 ZINC000594519229 347188046 /nfs/dbraw/zinc/18/80/46/347188046.db2.gz VTSWYYAGHPJDKV-GDBMZVCRSA-N 0 3 265.360 3.219 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)[C@@H]1CCCCO1 ZINC000594521141 347189051 /nfs/dbraw/zinc/18/90/51/347189051.db2.gz RWRJTXFFWDLRJJ-CVEARBPZSA-N 0 3 288.391 3.004 20 30 CGEDHN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccc(C#N)cc1 ZINC000594733232 347215165 /nfs/dbraw/zinc/21/51/65/347215165.db2.gz ZTCIASZYLPFSLO-IOASZLSFSA-N 0 3 258.365 3.166 20 30 CGEDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594923576 347231162 /nfs/dbraw/zinc/23/11/62/347231162.db2.gz ZNIUZBOVQIFNAB-ZDUSSCGKSA-N 0 3 294.402 3.135 20 30 CGEDHN N#CCC1(CNCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594937525 347235176 /nfs/dbraw/zinc/23/51/76/347235176.db2.gz QDIIPJJYQLVSEF-UHFFFAOYSA-N 0 3 265.360 3.025 20 30 CGEDHN C=CCCSCCNCc1cccc(OC)c1F ZINC000594959911 347241423 /nfs/dbraw/zinc/24/14/23/347241423.db2.gz FRXRIXVTTBRJFJ-UHFFFAOYSA-N 0 3 269.385 3.233 20 30 CGEDHN N#Cc1ccc(CN[C@H]2COC3(CCC3)C2)cc1Cl ZINC000595038103 347265691 /nfs/dbraw/zinc/26/56/91/347265691.db2.gz GTLANEITCVMVCP-CYBMUJFWSA-N 0 3 276.767 3.013 20 30 CGEDHN N#CC1(CN[C@H]2CCCC23CCOCC3)CCCCC1 ZINC000595090654 347280520 /nfs/dbraw/zinc/28/05/20/347280520.db2.gz KFIPXOJYYWVQEC-HNNXBMFYSA-N 0 3 276.424 3.399 20 30 CGEDHN COC1([C@@H](C)NCC2(C#N)CCCCC2)CCC1 ZINC000595088336 347280635 /nfs/dbraw/zinc/28/06/35/347280635.db2.gz AUMXEDXVIZIHKG-CYBMUJFWSA-N 0 3 250.386 3.008 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)C1CCCC1 ZINC000595093360 347282233 /nfs/dbraw/zinc/28/22/33/347282233.db2.gz AGOXYODETUQZQJ-DYVFJYSZSA-N 0 3 272.392 3.414 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000595603206 347325095 /nfs/dbraw/zinc/32/50/95/347325095.db2.gz KYRWUIQANKXMCA-XJKSGUPXSA-N 0 3 255.365 3.178 20 30 CGEDHN COc1ccc(OCCCN2CCC[C@@H](CC#N)C2)cc1 ZINC000595611949 347326743 /nfs/dbraw/zinc/32/67/43/347326743.db2.gz PWJUEEVLQYIJET-HNNXBMFYSA-N 0 3 288.391 3.090 20 30 CGEDHN N#CCC[C@@H](C#N)CN1CCCC2(CCCC2)CC1 ZINC000595643863 347332557 /nfs/dbraw/zinc/33/25/57/347332557.db2.gz ZXPRHUFPDFLHNV-HNNXBMFYSA-N 0 3 259.397 3.476 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000595660528 347334227 /nfs/dbraw/zinc/33/42/27/347334227.db2.gz UJQVBWTVFWURJX-ZDUSSCGKSA-N 0 3 277.364 3.163 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000595657906 347334567 /nfs/dbraw/zinc/33/45/67/347334567.db2.gz CFTFQUJHPBEELE-ZDUSSCGKSA-N 0 3 291.366 3.400 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)OC)c1 ZINC000595841884 347365722 /nfs/dbraw/zinc/36/57/22/347365722.db2.gz PAEZNAADNBJUHF-IYBDPMFKSA-N 0 3 271.360 3.156 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OC)oc1CC ZINC000595844905 347367341 /nfs/dbraw/zinc/36/73/41/347367341.db2.gz HGJZZOJZXUUUDJ-OKILXGFUSA-N 0 3 289.375 3.312 20 30 CGEDHN Cc1nsc(N[C@H]2CCN(C3CCCCC3)C2)c1C#N ZINC000596479602 347464853 /nfs/dbraw/zinc/46/48/53/347464853.db2.gz NVCIQUZCGBMJEO-LBPRGKRZSA-N 0 3 290.436 3.142 20 30 CGEDHN CCOC1CCC(NCC2(C#N)CCCC2)CC1 ZINC000597158090 347542153 /nfs/dbraw/zinc/54/21/53/347542153.db2.gz MSHVUGNDRPSWQQ-UHFFFAOYSA-N 0 3 250.386 3.008 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000597781172 347592256 /nfs/dbraw/zinc/59/22/56/347592256.db2.gz QHCOODRDYKRETC-VNQPRFMTSA-N 0 3 270.376 3.331 20 30 CGEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598234585 347637491 /nfs/dbraw/zinc/63/74/91/347637491.db2.gz TYLNVTGIXKWEKD-JKSUJKDBSA-N 0 3 270.376 3.064 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCCc1ccco1 ZINC000598439473 347658703 /nfs/dbraw/zinc/65/87/03/347658703.db2.gz LUIZFESWWBMRRF-MRXNPFEDSA-N 0 3 296.370 3.101 20 30 CGEDHN Cc1ncccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000598995863 347705010 /nfs/dbraw/zinc/70/50/10/347705010.db2.gz HDYRKGNTGZHHRU-UHFFFAOYSA-N 0 3 277.371 3.235 20 30 CGEDHN CC1(C)CCC[C@@](CO)(NCc2ccc(C#N)s2)C1 ZINC000598994887 347705119 /nfs/dbraw/zinc/70/51/19/347705119.db2.gz JABNQPXGWICDFN-OAHLLOKOSA-N 0 3 278.421 3.041 20 30 CGEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1CCCCO1 ZINC000599037416 347708705 /nfs/dbraw/zinc/70/87/05/347708705.db2.gz AXABZTDMHAIACW-CZUORRHYSA-N 0 3 270.376 3.095 20 30 CGEDHN CCO[C@@]1(C)C[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000599071927 347714407 /nfs/dbraw/zinc/71/44/07/347714407.db2.gz BXVHDUCLYMXVBA-BBWFWOEESA-N 0 3 270.376 3.093 20 30 CGEDHN CN(C[C@@H]1CC1(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000598550662 347664524 /nfs/dbraw/zinc/66/45/24/347664524.db2.gz MOZNSRRYNDFQKF-HOTGVXAUSA-N 0 3 284.403 3.263 20 30 CGEDHN C[C@H](c1cccs1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598586427 347666535 /nfs/dbraw/zinc/66/65/35/347666535.db2.gz UPXGEFMIPUWWMH-VXGBXAGGSA-N 0 3 266.410 3.042 20 30 CGEDHN C[C@@H](c1ccccc1F)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598585443 347666542 /nfs/dbraw/zinc/66/65/42/347666542.db2.gz CXKPDUPZDDEGKJ-QWHCGFSZSA-N 0 3 278.371 3.119 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNC1(c2ccc(F)cc2)CCC1 ZINC000598597260 347669307 /nfs/dbraw/zinc/66/93/07/347669307.db2.gz YULIYAJASMRJAL-HNNXBMFYSA-N 0 3 290.382 3.095 20 30 CGEDHN Cc1ccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)cc1F ZINC000598602957 347670578 /nfs/dbraw/zinc/67/05/78/347670578.db2.gz RIBFRTSSPPYBNB-TZMCWYRMSA-N 0 3 278.371 3.086 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CNC1(c2cccc(F)c2)CCC1 ZINC000598626551 347672891 /nfs/dbraw/zinc/67/28/91/347672891.db2.gz XWWKSTCDUJKWHL-HNNXBMFYSA-N 0 3 290.382 3.095 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCC2(CC2)CC1 ZINC000599672939 347763680 /nfs/dbraw/zinc/76/36/80/347763680.db2.gz KPQLBCYXNSKACD-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN N#CCc1cccc2c1CCN(CC[C@@H]1CCCCO1)C2 ZINC000599677536 347763920 /nfs/dbraw/zinc/76/39/20/347763920.db2.gz KYYPGWVTFRCTRS-KRWDZBQOSA-N 0 3 284.403 3.070 20 30 CGEDHN Cc1ccc(CN2CC[C@H](OCC(C)C)C2)cc1C#N ZINC000599310754 347734469 /nfs/dbraw/zinc/73/44/69/347734469.db2.gz BSYRFTLCDTZBMU-KRWDZBQOSA-N 0 3 272.392 3.114 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)cc1Cl ZINC000599355766 347739000 /nfs/dbraw/zinc/73/90/00/347739000.db2.gz GHGZBGGCUGYARZ-ZYHUDNBSSA-N 0 3 296.773 3.184 20 30 CGEDHN C=CCCC[C@H](C)N(C)Cc1ccc(C(=O)OC)cn1 ZINC000599447308 347746124 /nfs/dbraw/zinc/74/61/24/347746124.db2.gz BNXVFQHWCNGWNP-ZDUSSCGKSA-N 0 3 276.380 3.045 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)ccc2F)C1 ZINC000599528771 347751405 /nfs/dbraw/zinc/75/14/05/347751405.db2.gz HHDCGHGGRPMEJS-GFCCVEGCSA-N 0 3 277.339 3.010 20 30 CGEDHN CC1(C)[C@@H](c2cccc(F)c2)CCN1CCOCCC#N ZINC000599629609 347759434 /nfs/dbraw/zinc/75/94/34/347759434.db2.gz JLJRTYOOCXDRDW-MRXNPFEDSA-N 0 3 290.382 3.324 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000600683300 347829099 /nfs/dbraw/zinc/82/90/99/347829099.db2.gz RIGMEXXNDBWSMV-OAHLLOKOSA-N 0 3 286.419 3.326 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)OCC)no1 ZINC000601310739 347891034 /nfs/dbraw/zinc/89/10/34/347891034.db2.gz NXTHDHYCAHJKEM-OCCSQVGLSA-N 0 3 292.379 3.076 20 30 CGEDHN CC(C)(C)[C@@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602014432 347933547 /nfs/dbraw/zinc/93/35/47/347933547.db2.gz DEVLORTZFXKGLM-CJNGLKHVSA-N 0 3 290.382 3.381 20 30 CGEDHN CC(C)[C@H]1C[C@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602024478 347934166 /nfs/dbraw/zinc/93/41/66/347934166.db2.gz NVFDHROFQJQKPI-CXAGYDPISA-N 0 3 290.382 3.238 20 30 CGEDHN Cc1cc(F)ccc1N(CC#N)C(=O)C(C)C(F)(F)F ZINC000602386357 347952219 /nfs/dbraw/zinc/95/22/19/347952219.db2.gz JLPUWKGEIJDNBZ-VIFPVBQESA-N 0 3 288.244 3.189 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)n1)C(C)(C)c1ccccc1 ZINC000602528983 347976519 /nfs/dbraw/zinc/97/65/19/347976519.db2.gz DJHCIWKQEDCTBF-CQSZACIVSA-N 0 3 279.387 3.409 20 30 CGEDHN Cc1ccccc1N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602433440 347957401 /nfs/dbraw/zinc/95/74/01/347957401.db2.gz LGFOWSAIQRNPNQ-HNNXBMFYSA-N 0 3 271.408 3.057 20 30 CGEDHN C[C@@H](CCC#N)CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000602437689 347957889 /nfs/dbraw/zinc/95/78/89/347957889.db2.gz WZXPZUYRXHQZQK-HNNXBMFYSA-N 0 3 282.391 3.244 20 30 CGEDHN CN(CCC1CCCCC1)Cc1cccc(C#N)n1 ZINC000602465626 347962664 /nfs/dbraw/zinc/96/26/64/347962664.db2.gz SREBKNVWIZHFDO-UHFFFAOYSA-N 0 3 257.381 3.355 20 30 CGEDHN C[C@@H](CCC#N)CN1CCN(C2CCC(C)CC2)CC1 ZINC000602467619 347963133 /nfs/dbraw/zinc/96/31/33/347963133.db2.gz HJSRYKOJRLKJCH-CGZBRXJRSA-N 0 3 277.456 3.123 20 30 CGEDHN N#Cc1cccc(CN2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000602469292 347964235 /nfs/dbraw/zinc/96/42/35/347964235.db2.gz SJNALPCTIFQJSU-AWEZNQCLSA-N 0 3 281.334 3.082 20 30 CGEDHN C[C@H](CCC#N)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000602474325 347965134 /nfs/dbraw/zinc/96/51/34/347965134.db2.gz HAKWKKKHPBQWLC-HZSPNIEDSA-N 0 3 252.427 3.286 20 30 CGEDHN CCS[C@@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602565685 347983463 /nfs/dbraw/zinc/98/34/63/347983463.db2.gz FUVHWSJRENUTLC-IUODEOHRSA-N 0 3 275.421 3.107 20 30 CGEDHN CCS[C@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602565688 347983738 /nfs/dbraw/zinc/98/37/38/347983738.db2.gz FUVHWSJRENUTLC-WFASDCNBSA-N 0 3 275.421 3.107 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000602568505 347984024 /nfs/dbraw/zinc/98/40/24/347984024.db2.gz NXIMXCHOKCAXIV-SMDDNHRTSA-N 0 3 297.324 3.412 20 30 CGEDHN Cc1cc(C)nc(N[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602575246 347985957 /nfs/dbraw/zinc/98/59/57/347985957.db2.gz PUAJVFJHFMGXKK-CQSZACIVSA-N 0 3 273.380 3.209 20 30 CGEDHN CN(c1ccccc1)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602780623 348027668 /nfs/dbraw/zinc/02/76/68/348027668.db2.gz WMQOQGCHFUUVLO-UHFFFAOYSA-N 0 3 283.419 3.281 20 30 CGEDHN C[C@@H](C1CC1)N(C(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000602582261 347988104 /nfs/dbraw/zinc/98/81/04/347988104.db2.gz QCWUUWQISOKNBP-YOEHRIQHSA-N 0 3 299.418 3.229 20 30 CGEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602782566 348028050 /nfs/dbraw/zinc/02/80/50/348028050.db2.gz CZNWXODFBUGOJT-CQSZACIVSA-N 0 3 292.423 3.124 20 30 CGEDHN C[C@@H](CCC#N)CNCc1c(F)cccc1N1CCCC1 ZINC000602651526 348001621 /nfs/dbraw/zinc/00/16/21/348001621.db2.gz SGQODPIUGCTXSD-AWEZNQCLSA-N 0 3 289.398 3.455 20 30 CGEDHN N#Cc1cccc(CNCC2CC(c3ccccc3)C2)n1 ZINC000602656337 348002065 /nfs/dbraw/zinc/00/20/65/348002065.db2.gz XNAKIRANCVXPSN-UHFFFAOYSA-N 0 3 277.371 3.237 20 30 CGEDHN Cc1ccc(C2(CNCc3cccc(C#N)n3)CC2)c(C)c1 ZINC000602675538 348006703 /nfs/dbraw/zinc/00/67/03/348006703.db2.gz UGNSXVVBBZVWLM-UHFFFAOYSA-N 0 3 291.398 3.392 20 30 CGEDHN C[C@@H](CCC#N)CN1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000602698197 348012041 /nfs/dbraw/zinc/01/20/41/348012041.db2.gz DOJNRNKHVZQRFX-IHRRRGAJSA-N 0 3 280.412 3.121 20 30 CGEDHN N#CC1(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCCC1 ZINC000602700620 348012820 /nfs/dbraw/zinc/01/28/20/348012820.db2.gz UPSOZIXEXFVYLK-KKUMJFAQSA-N 0 3 274.408 3.008 20 30 CGEDHN Cc1ccc(C[C@@H](C)NCc2cccc(C#N)n2)s1 ZINC000602555609 347981341 /nfs/dbraw/zinc/98/13/41/347981341.db2.gz FZIVBAHLBZAVPN-LLVKDONJSA-N 0 3 271.389 3.044 20 30 CGEDHN C[C@H](CCC#N)CNCc1nc(C(F)(F)F)cs1 ZINC000602561322 347981950 /nfs/dbraw/zinc/98/19/50/347981950.db2.gz YFHOVLUTEPMVPT-MRVPVSSYSA-N 0 3 277.315 3.191 20 30 CGEDHN CC[C@@](C)(O)CN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602815395 348033451 /nfs/dbraw/zinc/03/34/51/348033451.db2.gz KRKJWOWZGQGWQT-QGZVFWFLSA-N 0 3 286.419 3.343 20 30 CGEDHN C[C@@H]1CN(CC[C@H]2CCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602848192 348036160 /nfs/dbraw/zinc/03/61/60/348036160.db2.gz FIUZURJLSAYJSZ-JFIYKMOQSA-N 0 3 297.446 3.025 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602892933 348040694 /nfs/dbraw/zinc/04/06/94/348040694.db2.gz AAJGZBRXSRDRSC-AWEZNQCLSA-N 0 3 282.391 3.127 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(c3ccc(F)cn3)CC2)C1 ZINC000602902962 348041800 /nfs/dbraw/zinc/04/18/00/348041800.db2.gz HJYUIADNCRKYAG-DOMZBBRYSA-N 0 3 273.355 3.092 20 30 CGEDHN CCN(CCOc1ccccc1OC)CC1(CC#N)CC1 ZINC000602906834 348042512 /nfs/dbraw/zinc/04/25/12/348042512.db2.gz RRWSJARSUSPYMX-UHFFFAOYSA-N 0 3 288.391 3.090 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(Cc3nccs3)CC2)C1 ZINC000602954018 348047159 /nfs/dbraw/zinc/04/71/59/348047159.db2.gz GCPDIIJFZAIIFK-ZIAGYGMSSA-N 0 3 275.421 3.090 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C(C)C)CC1 ZINC000604055209 348108812 /nfs/dbraw/zinc/10/88/12/348108812.db2.gz VFINHNDBBJLXHR-MRXNPFEDSA-N 0 3 280.456 3.169 20 30 CGEDHN COCCN(CCCC#N)Cc1ccc(C)cc1C ZINC000604493473 348121661 /nfs/dbraw/zinc/12/16/61/348121661.db2.gz VHAZOYMWPIWFSD-UHFFFAOYSA-N 0 3 260.381 3.056 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1[C@H](C)CC ZINC000606434331 348182511 /nfs/dbraw/zinc/18/25/11/348182511.db2.gz UTTCQNAJRJNJKE-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN CC#CCN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000607728177 348257900 /nfs/dbraw/zinc/25/79/00/348257900.db2.gz NGTRLBNAYCYJQX-IRXDYDNUSA-N 0 3 257.377 3.109 20 30 CGEDHN CC#CCN(C)CCCOc1cccc(Cl)c1 ZINC000607724168 348258087 /nfs/dbraw/zinc/25/80/87/348258087.db2.gz QQQXDRGJTALTRX-UHFFFAOYSA-N 0 3 251.757 3.064 20 30 CGEDHN CCC[C@@H](C#N)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000608816248 348329565 /nfs/dbraw/zinc/32/95/65/348329565.db2.gz KFOOVPOPSGTZMA-INIZCTEOSA-N 0 3 299.418 3.093 20 30 CGEDHN N#CC1(c2ccccc2)CCC(NCc2cocn2)CC1 ZINC000611440001 348452481 /nfs/dbraw/zinc/45/24/81/348452481.db2.gz VZMIDMNHRPXSDC-UHFFFAOYSA-N 0 3 281.359 3.168 20 30 CGEDHN C[C@@H](NCC1(CO)CCCCC1)c1ccc(C#N)cc1F ZINC000611588949 348462634 /nfs/dbraw/zinc/46/26/34/348462634.db2.gz DCOHMVCWNBFSBX-CYBMUJFWSA-N 0 3 290.382 3.291 20 30 CGEDHN Cc1c(Cl)cnc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c1C#N ZINC000612085564 348492430 /nfs/dbraw/zinc/49/24/30/348492430.db2.gz XJQAESHFOIWPHK-IINYFYTJSA-N 0 3 292.814 3.056 20 30 CGEDHN C=CCN(CC=C)[C@H](CN=c1[nH]c2ccccc2o1)C(C)C ZINC000613414041 348598993 /nfs/dbraw/zinc/59/89/93/348598993.db2.gz JIEAZAPZLVUAGM-MRXNPFEDSA-N 0 3 299.418 3.360 20 30 CGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NCC(C)(C)C#N)CC3 ZINC000613145728 348568277 /nfs/dbraw/zinc/56/82/77/348568277.db2.gz FEJJXRIPCBJLFC-CYBMUJFWSA-N 0 3 281.403 3.473 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CSCc3ccccc32)C1 ZINC000613666871 348626530 /nfs/dbraw/zinc/62/65/30/348626530.db2.gz SLGNBRLKWDAPKY-OSAQELSMSA-N 0 3 258.390 3.256 20 30 CGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccccc2C#N)C1 ZINC000339503774 215214592 /nfs/dbraw/zinc/21/45/92/215214592.db2.gz GSCOHEOXJOADHN-RDTXWAMCSA-N 0 3 286.419 3.225 20 30 CGEDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccnc(C#N)c1 ZINC000615005781 348706802 /nfs/dbraw/zinc/70/68/02/348706802.db2.gz RUOQEZITWCCXTI-GFCCVEGCSA-N 0 3 271.286 3.020 20 30 CGEDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccnc(C#N)c1 ZINC000615799225 348765857 /nfs/dbraw/zinc/76/58/57/348765857.db2.gz IDTBRHLTGKKZIS-LSDHHAIUSA-N 0 3 275.421 3.107 20 30 CGEDHN C[C@H](NC[C@H]1CCCS1)c1ccc(C#N)cc1F ZINC000358570000 233157213 /nfs/dbraw/zinc/15/72/13/233157213.db2.gz MZVYOJKHACIOAD-CMPLNLGQSA-N 0 3 264.369 3.244 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000352019979 219291539 /nfs/dbraw/zinc/29/15/39/219291539.db2.gz DZGGPFRKOKIQDT-YOEHRIQHSA-N 0 3 290.382 3.238 20 30 CGEDHN N#CCC1(CNCc2ccc3cnccc3c2)CC1 ZINC000619530070 349256913 /nfs/dbraw/zinc/25/69/13/349256913.db2.gz BXEMRIYCLKNMCD-UHFFFAOYSA-N 0 3 251.333 3.018 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccccc1-n1cccn1 ZINC000619535094 349257857 /nfs/dbraw/zinc/25/78/57/349257857.db2.gz AZSQBQXOEIVVGL-CQSZACIVSA-N 0 3 280.375 3.217 20 30 CGEDHN N#CCC1(CN[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000619535101 349257888 /nfs/dbraw/zinc/25/78/88/349257888.db2.gz JTBBGZWYQHULMD-INIZCTEOSA-N 0 3 265.360 3.219 20 30 CGEDHN CCN(CCCC1(C#N)CCOCC1)CCC(F)(F)F ZINC000619620323 349263112 /nfs/dbraw/zinc/26/31/12/349263112.db2.gz VWDAZENYVHCYEH-UHFFFAOYSA-N 0 3 292.345 3.361 20 30 CGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccsc1 ZINC000619783584 349285216 /nfs/dbraw/zinc/28/52/16/349285216.db2.gz SEAGLUJGQGTNPN-LBPRGKRZSA-N 0 3 299.399 3.299 20 30 CGEDHN C=CCCC(C)(C)NC(=O)c1cccc(CN(C)C)c1 ZINC000620858438 349430110 /nfs/dbraw/zinc/43/01/10/349430110.db2.gz GWIGWGXZNPXCFQ-UHFFFAOYSA-N 0 3 274.408 3.223 20 30 CGEDHN C=CCC[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccco1 ZINC000624222718 350006581 /nfs/dbraw/zinc/00/65/81/350006581.db2.gz CYMNZGYHZOOBDX-YCPHGPKFSA-N 0 3 261.365 3.444 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccco1 ZINC000624222717 350006665 /nfs/dbraw/zinc/00/66/65/350006665.db2.gz CYMNZGYHZOOBDX-OFQRWUPVSA-N 0 3 261.365 3.444 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625658926 350193985 /nfs/dbraw/zinc/19/39/85/350193985.db2.gz MURRAGYCOKSFHP-HUUCEWRRSA-N 0 3 295.373 3.471 20 30 CGEDHN C=CC[C@H]1CCCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000625535957 350182559 /nfs/dbraw/zinc/18/25/59/350182559.db2.gz YAUITCWTTZPRMC-RDJZCZTQSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC2(CC2)CC1 ZINC000626114157 350264193 /nfs/dbraw/zinc/26/41/93/350264193.db2.gz VJHZCIRFPOVZJS-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000631544963 351063486 /nfs/dbraw/zinc/06/34/86/351063486.db2.gz WVPQRNKHQKFJQS-QGZVFWFLSA-N 0 3 298.430 3.076 20 30 CGEDHN C=CCOCCCN[C@H](CCC)c1cc(C)ccn1 ZINC000631647086 351104751 /nfs/dbraw/zinc/10/47/51/351104751.db2.gz RPKFEDTURXGMFV-OAHLLOKOSA-N 0 3 262.397 3.414 20 30 CGEDHN COc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)ccc1C#N ZINC000291712589 198067814 /nfs/dbraw/zinc/06/78/14/198067814.db2.gz ZZXYWPNXLSCIKV-KRWDZBQOSA-N 0 3 282.387 3.331 20 30 CGEDHN C=CCOc1cccc(CN2CCC(n3ccnc3)CC2)c1 ZINC000122561890 187038420 /nfs/dbraw/zinc/03/84/20/187038420.db2.gz FPGOGGATKLLSCG-UHFFFAOYSA-N 0 3 297.402 3.285 20 30 CGEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3F)CC2)o1 ZINC000123210599 187078106 /nfs/dbraw/zinc/07/81/06/187078106.db2.gz VLHUQNDESLWOHT-UHFFFAOYSA-N 0 3 288.297 3.251 20 30 CGEDHN CCCN(Cc1ccn(C)c1)Cc1ccc(C#N)cc1 ZINC000119256419 370659879 /nfs/dbraw/zinc/65/98/79/370659879.db2.gz VBCNBNHIBGXWQT-UHFFFAOYSA-N 0 3 267.376 3.309 20 30 CGEDHN CCCN(CCC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000153040368 188060804 /nfs/dbraw/zinc/06/08/04/188060804.db2.gz CEINLSYDEGXPIN-UHFFFAOYSA-N 0 3 293.436 3.297 20 30 CGEDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCC(C)(C)C#N ZINC000157439993 188317918 /nfs/dbraw/zinc/31/79/18/188317918.db2.gz IVBSQVRMFCAPMA-AWEZNQCLSA-N 0 3 297.406 3.200 20 30 CGEDHN CC(C)COc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190802092 535227713 /nfs/dbraw/zinc/22/77/13/535227713.db2.gz JQQRPXNGOBXVAT-UHFFFAOYSA-N 0 3 297.402 3.221 20 30 CGEDHN CC(C)(CO)[C@H](NCc1ccc(Cl)cc1C#N)C1CC1 ZINC000293207167 198560859 /nfs/dbraw/zinc/56/08/59/198560859.db2.gz XIYCZSFSYQIIPJ-OAHLLOKOSA-N 0 3 292.810 3.098 20 30 CGEDHN C#CCCN[C@H](CC)c1ccccc1OC(F)F ZINC000271731673 191295600 /nfs/dbraw/zinc/29/56/00/191295600.db2.gz HAHHKYYQNJTWDJ-GFCCVEGCSA-N 0 3 253.292 3.352 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000349375517 283059396 /nfs/dbraw/zinc/05/93/96/283059396.db2.gz CNIVVNKDUSCKHU-WPGHFRTFSA-N 0 3 258.340 3.485 20 30 CGEDHN Cc1ccc(NC(=O)c2cscc2C#N)c(CN(C)C)c1 ZINC000410481459 234993932 /nfs/dbraw/zinc/99/39/32/234993932.db2.gz FTZPVDQQTRQXTD-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc3c2CCCN3)C1 ZINC000335013663 283055657 /nfs/dbraw/zinc/05/56/57/283055657.db2.gz NVKRFAMSUDJELA-UKRRQHHQSA-N 0 3 269.392 3.217 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412205211 235138153 /nfs/dbraw/zinc/13/81/53/235138153.db2.gz YBTCQXUFSLUABP-MBNYWOFBSA-N 0 3 285.391 3.067 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccccc1C#N ZINC000124224982 138373995 /nfs/dbraw/zinc/37/39/95/138373995.db2.gz QJUUGVVLUXMEMI-WMLDXEAASA-N 0 3 272.392 3.074 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCc1cc(C#N)ccc1OC ZINC000233844997 138510734 /nfs/dbraw/zinc/51/07/34/138510734.db2.gz FSNCLBAKURJSHY-GDBMZVCRSA-N 0 3 290.432 3.331 20 30 CGEDHN Cc1cc(SCCN(C)Cc2ccccc2)c(C#N)cn1 ZINC000425264501 236224628 /nfs/dbraw/zinc/22/46/28/236224628.db2.gz WZCZVRCFCCDDCW-UHFFFAOYSA-N 0 3 297.427 3.486 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCCC23CCOCC3)c1F ZINC000336388586 138593561 /nfs/dbraw/zinc/59/35/61/138593561.db2.gz WBMLBAPXDNVXEL-OAHLLOKOSA-N 0 3 288.366 3.136 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000294780639 199179914 /nfs/dbraw/zinc/17/99/14/199179914.db2.gz LBLZQXRBOBJXTL-KRWDZBQOSA-N 0 3 298.361 3.045 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1N(C)C ZINC000430762553 299279059 /nfs/dbraw/zinc/27/90/59/299279059.db2.gz OMDPEJJGPACSGH-LBPRGKRZSA-N 0 3 275.371 3.236 20 30 CGEDHN COC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCCC1 ZINC000297260682 200128869 /nfs/dbraw/zinc/12/88/69/200128869.db2.gz JYVBUNJZYGGYCT-GFCCVEGCSA-N 0 3 276.355 3.307 20 30 CGEDHN C[C@@H]1CCCC[C@H]1OCCNCc1ccc(C#N)s1 ZINC000176951891 189016260 /nfs/dbraw/zinc/01/62/60/189016260.db2.gz GWNYDOXQQKGOBL-IUODEOHRSA-N 0 3 278.421 3.305 20 30 CGEDHN Cc1cccc(O[C@@H](C)CNCc2ccc(C#N)s2)c1 ZINC000176976790 189017833 /nfs/dbraw/zinc/01/78/33/189017833.db2.gz HMPVMZJCHQNDQC-ZDUSSCGKSA-N 0 3 286.400 3.485 20 30 CGEDHN CC[C@H](CNCc1ccc(C#N)o1)Oc1ccccc1C ZINC000178615694 189131684 /nfs/dbraw/zinc/13/16/84/189131684.db2.gz ICEBRSIABKKSCB-CQSZACIVSA-N 0 3 284.359 3.407 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC000178791969 189146228 /nfs/dbraw/zinc/14/62/28/189146228.db2.gz NDWSXQMDLIYCKZ-HZPDHXFCSA-N 0 3 288.366 3.135 20 30 CGEDHN CCN(CCc1nccs1)Cc1ccc(C#N)s1 ZINC000180027838 189233472 /nfs/dbraw/zinc/23/34/72/189233472.db2.gz XSYJYGIRRLUMCF-UHFFFAOYSA-N 0 3 277.418 3.141 20 30 CGEDHN N#Cc1ccc(CNCCC2(F)CCC2)c(F)c1 ZINC000342237881 216275527 /nfs/dbraw/zinc/27/55/27/216275527.db2.gz WSCKRXBNQHUULM-UHFFFAOYSA-N 0 3 250.292 3.069 20 30 CGEDHN C[C@@H](NCCN(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000181557203 189300203 /nfs/dbraw/zinc/30/02/03/189300203.db2.gz WWXOQZNTCDTRAL-MRXNPFEDSA-N 0 3 293.414 3.341 20 30 CGEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000301522583 201045909 /nfs/dbraw/zinc/04/59/09/201045909.db2.gz OAOSPYXTNUXJHG-SFHVURJKSA-N 0 3 292.386 3.030 20 30 CGEDHN N#Cc1ccc(NC[C@@H](c2cccs2)N2CCCC2)cn1 ZINC000301584973 201081086 /nfs/dbraw/zinc/08/10/86/201081086.db2.gz OOSKWMQKXIQIJQ-HNNXBMFYSA-N 0 3 298.415 3.264 20 30 CGEDHN CC[C@H](C)[C@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000183057806 189344359 /nfs/dbraw/zinc/34/43/59/189344359.db2.gz XDIOGUWXCAAQDI-QWRGUYRKSA-N 0 3 293.798 3.174 20 30 CGEDHN CN1CC[C@H](Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000301820654 201217033 /nfs/dbraw/zinc/21/70/33/201217033.db2.gz BBISFXAHTMAFSL-ZWKOTPCHSA-N 0 3 277.371 3.416 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NC[C@H](C)CN2CCCCC2)c1 ZINC000302010946 201296205 /nfs/dbraw/zinc/29/62/05/201296205.db2.gz CKDUBKYNDNQMEY-AWEZNQCLSA-N 0 3 299.418 3.295 20 30 CGEDHN CN(CCN(C)c1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000120427651 370766805 /nfs/dbraw/zinc/76/68/05/370766805.db2.gz RYXUBROFXGSPKB-UHFFFAOYSA-N 0 3 297.377 3.266 20 30 CGEDHN C[C@H](NCCC(C)(F)F)c1ccc(C#N)cc1F ZINC000450713906 240047519 /nfs/dbraw/zinc/04/75/19/240047519.db2.gz GOUUTZHITOVJLZ-VIFPVBQESA-N 0 3 256.271 3.393 20 30 CGEDHN CCO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000451551794 240324423 /nfs/dbraw/zinc/32/44/23/240324423.db2.gz XYQWVKBYMIYFPS-GRDNDAEWSA-N 0 3 272.392 3.366 20 30 CGEDHN COC1(C)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275620840 193089310 /nfs/dbraw/zinc/08/93/10/193089310.db2.gz MNPDNXKDWBJDEF-ZDUSSCGKSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCC[C@@H](O)CN(Cc1ccc(F)cc1)C1CC1 ZINC000121362265 370854833 /nfs/dbraw/zinc/85/48/33/370854833.db2.gz YDYALSZTBQZPCN-MRXNPFEDSA-N 0 3 263.356 3.117 20 30 CGEDHN COc1cc(CN2CC(C(C)(C)C)C2)ccc1C#N ZINC000459642840 242160924 /nfs/dbraw/zinc/16/09/24/242160924.db2.gz NVUCUFQRMQTFRU-UHFFFAOYSA-N 0 3 258.365 3.045 20 30 CGEDHN C=CCN(C)CCc1cccc(OC(F)(F)F)c1 ZINC000121572664 370873951 /nfs/dbraw/zinc/87/39/51/370873951.db2.gz FPFOHYHCSYQYCW-UHFFFAOYSA-N 0 3 259.271 3.246 20 30 CGEDHN C=C[C@H](C)NCc1cc(OC)c(OC)cc1SC ZINC000123210040 370909933 /nfs/dbraw/zinc/90/99/33/370909933.db2.gz HLVCEUNDOMDJRZ-JTQLQIEISA-N 0 3 267.394 3.090 20 30 CGEDHN CN(CC(=O)Nc1ccc(C#N)cc1)CC1CCCCC1 ZINC000029455049 368895748 /nfs/dbraw/zinc/89/57/48/368895748.db2.gz ZXGCHQFUAVIQLA-UHFFFAOYSA-N 0 3 285.391 3.009 20 30 CGEDHN CC(C)C[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000330758346 203197858 /nfs/dbraw/zinc/19/78/58/203197858.db2.gz LLCQUJKOMMMIOP-INIZCTEOSA-N 0 3 285.391 3.007 20 30 CGEDHN CCN1CCCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127948988 370958245 /nfs/dbraw/zinc/95/82/45/370958245.db2.gz GWDNRPALNFOKKB-UHFFFAOYSA-N 0 3 297.324 3.109 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccn(C2CCCC2)n1 ZINC000128987312 370970608 /nfs/dbraw/zinc/97/06/08/370970608.db2.gz JYWWJZRMHRQYLS-UHFFFAOYSA-N 0 3 274.412 3.418 20 30 CGEDHN CC(C)COC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000054321911 369500456 /nfs/dbraw/zinc/50/04/56/369500456.db2.gz FYGYEGUXMKGFNB-UHFFFAOYSA-N 0 3 272.392 3.195 20 30 CGEDHN CC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000057683432 369545722 /nfs/dbraw/zinc/54/57/22/369545722.db2.gz JGJFSEYRBBGSOB-MRXNPFEDSA-N 0 3 270.376 3.017 20 30 CGEDHN C=CCCN(C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000276483040 193350412 /nfs/dbraw/zinc/35/04/12/193350412.db2.gz SZMXPUWJVWJKHY-UHFFFAOYSA-N 0 3 286.419 3.321 20 30 CGEDHN C=CCN(CCOCC(F)(F)F)CCc1ccccc1 ZINC000068334394 369742519 /nfs/dbraw/zinc/74/25/19/369742519.db2.gz HEKHLJQNXUFDCI-UHFFFAOYSA-N 0 3 287.325 3.296 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000076737518 369941798 /nfs/dbraw/zinc/94/17/98/369941798.db2.gz NUDQEODGMVXCKB-KBPBESRZSA-N 0 3 292.398 3.289 20 30 CGEDHN CCOC(=O)CN(CCCC(C)(C)C#N)C1CCCC1 ZINC000083244152 370003371 /nfs/dbraw/zinc/00/33/71/370003371.db2.gz YPBAKCXAGLOMQX-UHFFFAOYSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCc1cc(CN2CC[C@H](CC)C2)cc(OC)c1O ZINC000091929539 370082452 /nfs/dbraw/zinc/08/24/52/370082452.db2.gz XVTDKSFETAKPCT-ZDUSSCGKSA-N 0 3 275.392 3.361 20 30 CGEDHN C=CCN(Cc1ccc(CO)o1)CC1CCCCC1 ZINC000093382945 370120771 /nfs/dbraw/zinc/12/07/71/370120771.db2.gz IDJWUIZEQKRKAE-UHFFFAOYSA-N 0 3 263.381 3.340 20 30 CGEDHN N#Cc1ccc(N2CCN(C[C@@H]3CC=CCC3)CC2)c(F)c1 ZINC000512225837 245027540 /nfs/dbraw/zinc/02/75/40/245027540.db2.gz GTXOUZCOQBDLNC-OAHLLOKOSA-N 0 3 299.393 3.176 20 30 CGEDHN CCN(CCCCC#N)CC(=O)Nc1c(C)cccc1C ZINC000130094120 371011708 /nfs/dbraw/zinc/01/17/08/371011708.db2.gz QJYDYADAHPRLKY-UHFFFAOYSA-N 0 3 287.407 3.258 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCCC(C)(C)C1 ZINC000130470274 371036717 /nfs/dbraw/zinc/03/67/17/371036717.db2.gz OEMZWMGGVRYNBR-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CC(C)(CCC#N)CNCc1ccc(F)cc1F ZINC000135167569 371397079 /nfs/dbraw/zinc/39/70/79/371397079.db2.gz FJVUDZLNNMOBPE-UHFFFAOYSA-N 0 3 252.308 3.384 20 30 CGEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1CCCO1 ZINC000135177477 371398807 /nfs/dbraw/zinc/39/88/07/371398807.db2.gz YUFNOXPEUBHBCX-OAHLLOKOSA-N 0 3 272.392 3.099 20 30 CGEDHN CCCN(CCOC1CCC1)Cc1ccc(C#N)cc1 ZINC000287417739 371653038 /nfs/dbraw/zinc/65/30/38/371653038.db2.gz STHPUMFZCWTUSJ-UHFFFAOYSA-N 0 3 272.392 3.339 20 30 CGEDHN C=C(C)CCN[C@H](C)c1ccc(Br)cn1 ZINC000280241887 327578133 /nfs/dbraw/zinc/57/81/33/327578133.db2.gz AYAOOQFBWMHYBO-SNVBAGLBSA-N 0 3 269.186 3.461 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156418402 371978772 /nfs/dbraw/zinc/97/87/72/371978772.db2.gz PHGADODNHGDTBN-YUTCNCBUSA-N 0 3 251.370 3.466 20 30 CGEDHN CCN(CC)[C@H](CNc1cccnc1C#N)c1ccco1 ZINC000290705724 372041314 /nfs/dbraw/zinc/04/13/14/372041314.db2.gz WTDAPWCFKGFLCI-OAHLLOKOSA-N 0 3 284.363 3.041 20 30 CGEDHN Cc1ccc([C@H](CNc2cccnc2C#N)N2CCCC2)o1 ZINC000290540453 372011930 /nfs/dbraw/zinc/01/19/30/372011930.db2.gz IKNWZOHROTWUSW-INIZCTEOSA-N 0 3 296.374 3.104 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000424664145 372091441 /nfs/dbraw/zinc/09/14/41/372091441.db2.gz LMLSAKLKQVNYLP-OAHLLOKOSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CCN1CC[C@@H](N2CC(C)(C)C[C@@H]2c2ccccc2)C1=O ZINC000425545254 372132768 /nfs/dbraw/zinc/13/27/68/372132768.db2.gz RUDWEPAHQUUJTN-IAGOWNOFSA-N 0 3 298.430 3.247 20 30 CGEDHN COCCN(CC#Cc1ccc(Cl)cc1)CC(C)C ZINC000426385026 372155497 /nfs/dbraw/zinc/15/54/97/372155497.db2.gz KAFRXSLMXTUDAO-UHFFFAOYSA-N 0 3 279.811 3.296 20 30 CGEDHN CC#CCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160153561 372219052 /nfs/dbraw/zinc/21/90/52/372219052.db2.gz JNCSKEMOEJYBIR-CQSZACIVSA-N 0 3 299.349 3.078 20 30 CGEDHN C=C(C)CNCc1ccc(Br)cc1F ZINC000160315199 372237206 /nfs/dbraw/zinc/23/72/06/372237206.db2.gz GXSSHOXREXFCIZ-UHFFFAOYSA-N 0 3 258.134 3.254 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000292490062 372194584 /nfs/dbraw/zinc/19/45/84/372194584.db2.gz WNOXURPVESJJNI-HNNXBMFYSA-N 0 3 290.451 3.088 20 30 CGEDHN N#Cc1cccc(OCCCN2CCCc3occc3C2)c1 ZINC000344275646 217128450 /nfs/dbraw/zinc/12/84/50/217128450.db2.gz NRPIQTZSBNZYNL-UHFFFAOYSA-N 0 3 296.370 3.369 20 30 CGEDHN CC(C)(CO)[C@H](NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000292919754 372249760 /nfs/dbraw/zinc/24/97/60/372249760.db2.gz BQFGKESNMLMTJF-MRXNPFEDSA-N 0 3 291.822 3.078 20 30 CGEDHN C=CCN(C)CCN(CC)[C@H](C)c1ccc(F)cc1F ZINC000429713302 372377678 /nfs/dbraw/zinc/37/76/78/372377678.db2.gz DCQKRNZHPCRHGY-CYBMUJFWSA-N 0 3 282.378 3.466 20 30 CGEDHN COc1cc(CCNCc2ccc(C#N)o2)ccc1Cl ZINC000293543388 372406905 /nfs/dbraw/zinc/40/69/05/372406905.db2.gz YGKPQJPGSWTVGF-UHFFFAOYSA-N 0 3 290.750 3.146 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000432072490 372533843 /nfs/dbraw/zinc/53/38/43/372533843.db2.gz SLTJIKNSCVVFRJ-CABCVRRESA-N 0 3 295.471 3.151 20 30 CGEDHN C=C(C)CN(CC)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000433227181 372583793 /nfs/dbraw/zinc/58/37/93/372583793.db2.gz QRJXTPITCFFSFJ-MRXNPFEDSA-N 0 3 274.408 3.104 20 30 CGEDHN CC(C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433220390 372583905 /nfs/dbraw/zinc/58/39/05/372583905.db2.gz KUJXITXLVJCEPI-MRXNPFEDSA-N 0 3 272.392 3.311 20 30 CGEDHN CCC(CC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433356104 372598149 /nfs/dbraw/zinc/59/81/49/372598149.db2.gz YEAANYUNWOROMT-MRXNPFEDSA-N 0 3 272.392 3.311 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433925810 372641094 /nfs/dbraw/zinc/64/10/94/372641094.db2.gz IHQSYVGGZRAFIL-GOEBONIOSA-N 0 3 293.455 3.047 20 30 CGEDHN C[C@@H](NCCC(C)(F)F)c1ccc(OCC#N)cc1 ZINC000294350063 372651384 /nfs/dbraw/zinc/65/13/84/372651384.db2.gz ZEOSPEVCMYHOQH-LLVKDONJSA-N 0 3 268.307 3.285 20 30 CGEDHN C=C(C)CN(CC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000170699115 372652465 /nfs/dbraw/zinc/65/24/65/372652465.db2.gz QWYRIDLUNRWPDN-UHFFFAOYSA-N 0 3 275.396 3.178 20 30 CGEDHN C#CC[C@H](NCCc1cscn1)c1ccccc1 ZINC000294874407 372676820 /nfs/dbraw/zinc/67/68/20/372676820.db2.gz BJZDUCOAQCDXRQ-HNNXBMFYSA-N 0 3 256.374 3.040 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2c(C)cccc2C)CC1 ZINC000171740054 372820920 /nfs/dbraw/zinc/82/09/20/372820920.db2.gz DAGZWLSWSYAEBS-UHFFFAOYSA-N 0 3 287.407 3.075 20 30 CGEDHN C=CCN(CC[C@@H]1CCOC1)Cc1ccc(OC)cc1 ZINC000437594827 372853520 /nfs/dbraw/zinc/85/35/20/372853520.db2.gz RDTZFGKKHXMXHD-MRXNPFEDSA-N 0 3 275.392 3.110 20 30 CGEDHN CCC1(NCc2nnc(-c3ccc(C#N)cc3)o2)CCCC1 ZINC000296057954 373008318 /nfs/dbraw/zinc/00/83/18/373008318.db2.gz BGMLQNZBENGYFJ-UHFFFAOYSA-N 0 3 296.374 3.421 20 30 CGEDHN Cc1ccc([C@H](CN[C@@H]2CC[C@@H](C#N)C2)N2CCCC2)o1 ZINC000442793110 373083636 /nfs/dbraw/zinc/08/36/36/373083636.db2.gz POBOZOHYADFVSS-OAGGEKHMSA-N 0 3 287.407 3.007 20 30 CGEDHN COc1ccc([C@H](OC)[C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442828331 373099443 /nfs/dbraw/zinc/09/94/43/373099443.db2.gz MRMHDVICEHWFCK-UICACZKSSA-N 0 3 288.391 3.053 20 30 CGEDHN COc1cc(CN2CC[C@@H](C)C(C)(C)C2)ccc1C#N ZINC000442840331 373101087 /nfs/dbraw/zinc/10/10/87/373101087.db2.gz KZFZQLXJKSQHAL-CYBMUJFWSA-N 0 3 272.392 3.435 20 30 CGEDHN CC[C@H](N[C@@H](CC)[C@H](O)C(F)F)c1ccc(C#N)cc1 ZINC000296440930 373135518 /nfs/dbraw/zinc/13/55/18/373135518.db2.gz MHYDNEVXEPMFKX-IHRRRGAJSA-N 0 3 282.334 3.004 20 30 CGEDHN C[C@@H](NC[C@@](C)(O)c1ccccc1)c1cccc(C#N)c1 ZINC000174358397 373298688 /nfs/dbraw/zinc/29/86/88/373298688.db2.gz ALLCUPJHGHCLBB-RDTXWAMCSA-N 0 3 280.371 3.117 20 30 CGEDHN C=CCCCCNC(=O)Nc1ccccc1CCN(C)C ZINC000446573049 373331944 /nfs/dbraw/zinc/33/19/44/373331944.db2.gz SZPDPDWRONKFIW-UHFFFAOYSA-N 0 3 289.423 3.269 20 30 CGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)[C@H]1SC ZINC000298538249 373350738 /nfs/dbraw/zinc/35/07/38/373350738.db2.gz STGKXRAWPCIBGF-DANNLKNASA-N 0 3 290.432 3.118 20 30 CGEDHN CCN(C[C@H]1CCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299074833 373456321 /nfs/dbraw/zinc/45/63/21/373456321.db2.gz QECBOIDPCJJCTR-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H](O)Cc1ccccc1 ZINC000299375340 373522824 /nfs/dbraw/zinc/52/28/24/373522824.db2.gz LZNHXTWBJSMCBS-KXBFYZLASA-N 0 3 294.398 3.155 20 30 CGEDHN Cn1cc(CN2CCC[C@H](c3ccccc3)C2)cc1C#N ZINC000353644238 220216452 /nfs/dbraw/zinc/21/64/52/220216452.db2.gz NAGDHCCPLUENDV-KRWDZBQOSA-N 0 3 279.387 3.276 20 30 CGEDHN C[C@@H](CNc1ccc(C#N)cc1)N1CCc2sccc2C1 ZINC000301063555 373644698 /nfs/dbraw/zinc/64/46/98/373644698.db2.gz CDINXLQAVFCFIQ-ZDUSSCGKSA-N 0 3 297.427 3.478 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H](N(C)C)C2)CCCCC1 ZINC000448881882 373645960 /nfs/dbraw/zinc/64/59/60/373645960.db2.gz MOOSELUKFPDION-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN(CC)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449002220 373654415 /nfs/dbraw/zinc/65/44/15/373654415.db2.gz JTVGUYSMQJMYEQ-CQSZACIVSA-N 0 3 295.448 3.092 20 30 CGEDHN COC[C@@H](NC1CCC(C)(C#N)CC1)c1ccco1 ZINC000449174019 373667474 /nfs/dbraw/zinc/66/74/74/373667474.db2.gz GWSDKMFBXRWAFQ-JVWICGRDSA-N 0 3 262.353 3.029 20 30 CGEDHN C[C@@H]1CCCCN1CCNc1ccc(Cl)cc1C#N ZINC000301194695 373688803 /nfs/dbraw/zinc/68/88/03/373688803.db2.gz NAYIZWRFBAUIDB-GFCCVEGCSA-N 0 3 277.799 3.498 20 30 CGEDHN CO[C@](C)(CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000449482941 373772621 /nfs/dbraw/zinc/77/26/21/373772621.db2.gz FAPYBFGHTSZLRP-GOSISDBHSA-N 0 3 298.361 3.349 20 30 CGEDHN CC[C@@H]1CCCCN1CCNc1cc(C(C)=O)ccc1C#N ZINC000302122228 373820758 /nfs/dbraw/zinc/82/07/58/373820758.db2.gz UVALUYZTARNOJN-QGZVFWFLSA-N 0 3 299.418 3.437 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(Cl)c1 ZINC000449546689 373829768 /nfs/dbraw/zinc/82/97/68/373829768.db2.gz DEPFEBIQICCIFK-KGLIPLIRSA-N 0 3 281.783 3.172 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@]3(CCOC3)C2)cc1 ZINC000449689339 373840071 /nfs/dbraw/zinc/84/00/71/373840071.db2.gz ZGPXBCDXGWXHCE-SFHVURJKSA-N 0 3 287.403 3.254 20 30 CGEDHN C=CCC[C@@H](CO)NCc1cnc(-c2ccccc2)s1 ZINC000449694520 373844864 /nfs/dbraw/zinc/84/48/64/373844864.db2.gz BWUAUCHQZLTCCL-AWEZNQCLSA-N 0 3 288.416 3.227 20 30 CGEDHN C=C(CC)CNCc1ccc(Oc2cnccn2)cc1 ZINC000449731560 373858647 /nfs/dbraw/zinc/85/86/47/373858647.db2.gz JCLRSDUALPBLFZ-UHFFFAOYSA-N 0 3 269.348 3.325 20 30 CGEDHN C=C(CC)CNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000449734998 373860943 /nfs/dbraw/zinc/86/09/43/373860943.db2.gz SRVACLHSLRAQOG-KRWDZBQOSA-N 0 3 275.392 3.300 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)cc1F)C1(O)CCCC1 ZINC000449736481 373862861 /nfs/dbraw/zinc/86/28/61/373862861.db2.gz MXTUQNPPRZDSOM-UHFFFAOYSA-N 0 3 290.382 3.118 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(OC)cc1OC ZINC000180455046 374011398 /nfs/dbraw/zinc/01/13/98/374011398.db2.gz BGQQPAVGVAANRZ-LBPRGKRZSA-N 0 3 281.421 3.274 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCCN(C)C2)CCCCC1 ZINC000449995302 373979982 /nfs/dbraw/zinc/97/99/82/373979982.db2.gz LIZRIBJUBUGSEZ-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CCCCC1 ZINC000450102230 373987980 /nfs/dbraw/zinc/98/79/80/373987980.db2.gz DTUNOYYDAHYMOP-ZBFHGGJFSA-N 0 3 290.451 3.112 20 30 CGEDHN C#CCSCCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000181100854 374080974 /nfs/dbraw/zinc/08/09/74/374080974.db2.gz WLVJNHLEDAAINK-ZDUSSCGKSA-N 0 3 293.432 3.029 20 30 CGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000181363412 374113842 /nfs/dbraw/zinc/11/38/42/374113842.db2.gz ZFCMXLHRYKHXFW-AWEZNQCLSA-N 0 3 293.370 3.238 20 30 CGEDHN C[C@H](NCCOc1cccc(F)c1)c1cccc(C#N)c1 ZINC000181982241 374200913 /nfs/dbraw/zinc/20/09/13/374200913.db2.gz ZJVNPDAAMYBXDT-ZDUSSCGKSA-N 0 3 284.334 3.427 20 30 CGEDHN Cc1cc(Br)cc(C[NH2+]CCCCC#N)c1[O-] ZINC000182194975 374232738 /nfs/dbraw/zinc/23/27/38/374232738.db2.gz FQPOBQHADRRXBR-UHFFFAOYSA-N 0 3 297.196 3.247 20 30 CGEDHN C[C@H](NC[C@H]1COc2ccccc2O1)c1ccc(C#N)cc1 ZINC000314406298 374316771 /nfs/dbraw/zinc/31/67/71/374316771.db2.gz VMFGJFKXLSUWPB-BBRMVZONSA-N 0 3 294.354 3.049 20 30 CGEDHN CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000316121566 374331732 /nfs/dbraw/zinc/33/17/32/374331732.db2.gz DHBKJZFQSURVLW-HUUCEWRRSA-N 0 3 299.418 3.397 20 30 CGEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000182697837 374314206 /nfs/dbraw/zinc/31/42/06/374314206.db2.gz RURLXXLATCDNKK-ZDUSSCGKSA-N 0 3 285.391 3.055 20 30 CGEDHN CC[C@H](C)[C@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183045467 374361191 /nfs/dbraw/zinc/36/11/91/374361191.db2.gz UAAJWWFNZZQKBK-QWRGUYRKSA-N 0 3 293.798 3.174 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccccc1Cl ZINC000320615601 374351193 /nfs/dbraw/zinc/35/11/93/374351193.db2.gz HLCHIFONDKSXMP-VXGBXAGGSA-N 0 3 253.773 3.318 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000453273557 374384030 /nfs/dbraw/zinc/38/40/30/374384030.db2.gz WIGWRMANVZUFDE-MQIPJXDCSA-N 0 3 278.371 3.409 20 30 CGEDHN C=CCC[C@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000184834926 374564600 /nfs/dbraw/zinc/56/46/00/374564600.db2.gz PNJAOVKOTHDJNF-JSGCOSHPSA-N 0 3 251.370 3.474 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000185761909 374732169 /nfs/dbraw/zinc/73/21/69/374732169.db2.gz XVSVVNGNRYLVOY-DZKIICNBSA-N 0 3 295.390 3.000 20 30 CGEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCc3cc(F)ccc32)C1 ZINC000185812619 374742174 /nfs/dbraw/zinc/74/21/74/374742174.db2.gz UTJLCYUSPLJGFL-PEYYIBSZSA-N 0 3 258.340 3.485 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000185814585 374743100 /nfs/dbraw/zinc/74/31/00/374743100.db2.gz HYZVCTOBYYJDLF-GXTWGEPZSA-N 0 3 276.355 3.396 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000469624206 374990285 /nfs/dbraw/zinc/99/02/85/374990285.db2.gz YVYDBVMQXXPFBR-XYHOJCAOSA-N 0 3 276.767 3.313 20 30 CGEDHN C=CCOc1cccc(CNc2nc3ccc(F)cc3[nH]2)c1 ZINC000485968402 375194647 /nfs/dbraw/zinc/19/46/47/375194647.db2.gz SIPCAZWUHFTBPV-UHFFFAOYSA-N 0 3 297.333 3.301 20 30 CGEDHN C=C[C@H]1CCCCN1C(=O)Nc1cc(C)cc(CN)c1 ZINC000335177630 375202311 /nfs/dbraw/zinc/20/23/11/375202311.db2.gz KELJVUDCRHISTM-HNNXBMFYSA-N 0 3 273.380 3.026 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000487163193 375202904 /nfs/dbraw/zinc/20/29/04/375202904.db2.gz APMAUPIGEZOCIR-LLVKDONJSA-N 0 3 292.329 3.052 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc(Br)cs2)C1 ZINC000335284285 375258802 /nfs/dbraw/zinc/25/88/02/375258802.db2.gz GVKOLSIZWKKZMT-WCBMZHEXSA-N 0 3 285.210 3.292 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@H]2C2CCOCC2)c1F ZINC000335732561 375385565 /nfs/dbraw/zinc/38/55/65/375385565.db2.gz DVPAKFFNTYTYCL-INIZCTEOSA-N 0 3 288.366 3.088 20 30 CGEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000189577445 375414549 /nfs/dbraw/zinc/41/45/49/375414549.db2.gz OMEJJUNKMQHOCI-NSHDSACASA-N 0 3 273.767 3.401 20 30 CGEDHN C=C(CC)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000494485535 375488325 /nfs/dbraw/zinc/48/83/25/375488325.db2.gz LGTBMAJAILXGJJ-KGLIPLIRSA-N 0 3 282.428 3.188 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000498918038 375629058 /nfs/dbraw/zinc/62/90/58/375629058.db2.gz ZTYZGTUELOHGTG-LSDHHAIUSA-N 0 3 290.838 3.106 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H](c3ccncc3)C2)cc1 ZINC000336001781 375608703 /nfs/dbraw/zinc/60/87/03/375608703.db2.gz HJYXHITXXJTXJH-SFHVURJKSA-N 0 3 277.371 3.333 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@]3(CCCOC3)C2)ccc1F ZINC000336050215 375647644 /nfs/dbraw/zinc/64/76/44/375647644.db2.gz OVNACIDOVBOERD-QGZVFWFLSA-N 0 3 288.366 3.090 20 30 CGEDHN FC(F)O[C@@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000503523910 375650786 /nfs/dbraw/zinc/65/07/86/375650786.db2.gz SMONCYUKTXPVJT-ZIAGYGMSSA-N 0 3 299.748 3.441 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000192195534 375709812 /nfs/dbraw/zinc/70/98/12/375709812.db2.gz HGJHFDBXZFNSNW-SJORKVTESA-N 0 3 290.382 3.381 20 30 CGEDHN C=C(C)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192466343 375754142 /nfs/dbraw/zinc/75/41/42/375754142.db2.gz FBKKILNOZLORQO-UHFFFAOYSA-N 0 3 261.340 3.297 20 30 CGEDHN C=C(C)CCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000509390080 375780300 /nfs/dbraw/zinc/78/03/00/375780300.db2.gz WFJJCJFAACBNPL-UHFFFAOYSA-N 0 3 281.403 3.323 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000336388982 375785697 /nfs/dbraw/zinc/78/56/97/375785697.db2.gz AEFCKVNBBPFXRO-ZYHUDNBSSA-N 0 3 285.372 3.119 20 30 CGEDHN C=CCOCCN1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727224 375908760 /nfs/dbraw/zinc/90/87/60/375908760.db2.gz FVHXXZQVRPQZAT-GOSISDBHSA-N 0 3 287.403 3.049 20 30 CGEDHN Cc1cc(Cl)ccc1C1=CCN(C(=O)C(C)C#N)CC1 ZINC000529941353 375936751 /nfs/dbraw/zinc/93/67/51/375936751.db2.gz NQQDNTRTEXFDNE-LBPRGKRZSA-N 0 3 288.778 3.424 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000530823654 375943316 /nfs/dbraw/zinc/94/33/16/375943316.db2.gz KHPATDOOKJIYKR-LBPRGKRZSA-N 0 3 290.794 3.281 20 30 CGEDHN C=CCN1CC[C@H](N(C)[C@H](C)c2cc(C)ccc2C)C1=O ZINC000337136330 376092554 /nfs/dbraw/zinc/09/25/54/376092554.db2.gz NDKWOVKCIQAREZ-WBVHZDCISA-N 0 3 286.419 3.083 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](CC(C)C)c2ccccc2)C1=O ZINC000337170184 376110872 /nfs/dbraw/zinc/11/08/72/376110872.db2.gz CSUAWXCDKWBCDS-DLBZAZTESA-N 0 3 286.419 3.150 20 30 CGEDHN C=CCN1CC[C@H](N(CCC)[C@@H]2CCc3ccccc32)C1=O ZINC000337122543 376084057 /nfs/dbraw/zinc/08/40/57/376084057.db2.gz BLXAGKGLEKBGFM-MSOLQXFVSA-N 0 3 298.430 3.173 20 30 CGEDHN C=CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000337282674 376188609 /nfs/dbraw/zinc/18/86/09/376188609.db2.gz XPFPHXAOOHIPRI-UHFFFAOYSA-N 0 3 298.352 3.399 20 30 CGEDHN C=CCN(CCN1CCCc2ccccc21)C1CC1 ZINC000538955199 376281027 /nfs/dbraw/zinc/28/10/27/376281027.db2.gz PZJXLZKDPHMOPH-UHFFFAOYSA-N 0 3 256.393 3.090 20 30 CGEDHN COC(C)(C)CN(C)Cc1cccc(OCCCC#N)c1 ZINC000538827725 376274741 /nfs/dbraw/zinc/27/47/41/376274741.db2.gz PRALFUAQKIFWFA-UHFFFAOYSA-N 0 3 290.407 3.226 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000540344420 376370990 /nfs/dbraw/zinc/37/09/90/376370990.db2.gz BIGJRSOKJYSWLY-KBPBESRZSA-N 0 3 274.399 3.393 20 30 CGEDHN C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@H](C)N1C ZINC000338796355 376540306 /nfs/dbraw/zinc/54/03/06/376540306.db2.gz RXHNCVXEWNGSKA-PHIMTYICSA-N 0 3 297.324 3.106 20 30 CGEDHN Cc1ccc(CCN[C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000542833717 376586242 /nfs/dbraw/zinc/58/62/42/376586242.db2.gz HGPRXPDTEVQVFU-LBPRGKRZSA-N 0 3 272.323 3.492 20 30 CGEDHN C[C@H](CNc1cccc(F)c1C#N)N1CCCC[C@H]1C ZINC000339003899 376622576 /nfs/dbraw/zinc/62/25/76/376622576.db2.gz SKRLQUJCPKVFSW-CHWSQXEVSA-N 0 3 275.371 3.372 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000236598254 376670282 /nfs/dbraw/zinc/67/02/82/376670282.db2.gz AEYSPPMHAUECJY-SFHVURJKSA-N 0 3 278.355 3.431 20 30 CGEDHN C=CCOCCN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000339156589 376716739 /nfs/dbraw/zinc/71/67/39/376716739.db2.gz VLWOQMGJDSBYNX-UHFFFAOYSA-N 0 3 293.382 3.158 20 30 CGEDHN CCOCC(C)(C)NCc1cccc(OCCCC#N)c1 ZINC000339452323 376758958 /nfs/dbraw/zinc/75/89/58/376758958.db2.gz WAOIMXVMSLVJDW-UHFFFAOYSA-N 0 3 290.407 3.274 20 30 CGEDHN N#Cc1csc(CNC/C=C/c2ccccc2)c1 ZINC000237841289 376762400 /nfs/dbraw/zinc/76/24/00/376762400.db2.gz MYIALSINIZPPJA-QPJJXVBHSA-N 0 3 254.358 3.423 20 30 CGEDHN N#Cc1cccc(CNCc2ccccc2-n2cccn2)c1 ZINC000237846658 376762832 /nfs/dbraw/zinc/76/28/32/376762832.db2.gz CHVCNVWTADBOJK-UHFFFAOYSA-N 0 3 288.354 3.034 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(C(F)(F)F)n[nH]1 ZINC000339418510 376752776 /nfs/dbraw/zinc/75/27/76/376752776.db2.gz VTPRLFOFCDTNLA-UHFFFAOYSA-N 0 3 261.291 3.120 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H](CC2CC2)C1 ZINC000339677910 376803251 /nfs/dbraw/zinc/80/32/51/376803251.db2.gz FGNFHLALPMQMEY-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cc[nH]c(=O)c1 ZINC000340451213 377064698 /nfs/dbraw/zinc/06/46/98/377064698.db2.gz XQHZRHCAGVGVPG-WDEREUQCSA-N 0 3 285.322 3.210 20 30 CGEDHN COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)ccn1 ZINC000340461521 377074324 /nfs/dbraw/zinc/07/43/24/377074324.db2.gz JEWSJCXLBNJHIX-QWHCGFSZSA-N 0 3 281.359 3.374 20 30 CGEDHN C=CCC[C@H](O)CN1CCSC[C@H]1c1ccccc1 ZINC000247561627 377224120 /nfs/dbraw/zinc/22/41/20/377224120.db2.gz RSLCNXXWRZHDAP-HOTGVXAUSA-N 0 3 277.433 3.104 20 30 CGEDHN C=CCCCCN(CC)CC(=O)N1CCCCCC1 ZINC000562541016 377327384 /nfs/dbraw/zinc/32/73/84/377327384.db2.gz XOHMRQYEVKLZIX-UHFFFAOYSA-N 0 3 266.429 3.067 20 30 CGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[C@@H]1C ZINC000248366874 377294086 /nfs/dbraw/zinc/29/40/86/377294086.db2.gz SQEDNNIBYBSYCX-PMPSAXMXSA-N 0 3 299.418 3.052 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000566850170 377500953 /nfs/dbraw/zinc/50/09/53/377500953.db2.gz SJXDKTYAMUFIIG-FHLIZLRMSA-N 0 3 292.386 3.042 20 30 CGEDHN C=CCOc1ccc(CNCCOCC2CCC2)cc1 ZINC000568578213 377519757 /nfs/dbraw/zinc/51/97/57/377519757.db2.gz YZCAWFLRJWZIPL-UHFFFAOYSA-N 0 3 275.392 3.158 20 30 CGEDHN C[C@H]1CCN(CCC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000567791300 377509987 /nfs/dbraw/zinc/50/99/87/377509987.db2.gz MZACWTQVJCUEBP-KBPBESRZSA-N 0 3 294.439 3.226 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H]1CCCC[C@H]1O ZINC000572291398 377547558 /nfs/dbraw/zinc/54/75/58/377547558.db2.gz LWMWXGSUYAUHBG-DZGCQCFKSA-N 0 3 265.422 3.287 20 30 CGEDHN N#Cc1cccc(CCNCc2cc(F)cc(F)c2)c1 ZINC000341478124 377583547 /nfs/dbraw/zinc/58/35/47/377583547.db2.gz GWCJGZHTBAZRCJ-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN N#Cc1ccc(CN2CCC3(C2)CCCCC3)nc1 ZINC000573780103 377575559 /nfs/dbraw/zinc/57/55/59/377575559.db2.gz OQOMCMZJXVDEQA-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000518192709 249276645 /nfs/dbraw/zinc/27/66/45/249276645.db2.gz PONRZNLCRAAATJ-WMZOPIPTSA-N 0 3 284.403 3.074 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H]1CCCOC1 ZINC000342684260 377732584 /nfs/dbraw/zinc/73/25/84/377732584.db2.gz TZTAIYXTETVCGM-ZDUSSCGKSA-N 0 3 251.395 3.163 20 30 CGEDHN N#Cc1ccc(OCCNC/C=C\c2ccc(F)cc2)cc1 ZINC000255138604 377735871 /nfs/dbraw/zinc/73/58/71/377735871.db2.gz LDABLFKODDVNGP-UPHRSURJSA-N 0 3 296.345 3.379 20 30 CGEDHN Cc1cccc(CCN(C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000575043064 377741473 /nfs/dbraw/zinc/74/14/73/377741473.db2.gz GIIXYNPEAWDGOM-HNNXBMFYSA-N 0 3 279.387 3.497 20 30 CGEDHN CC(C)(NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342737457 377764436 /nfs/dbraw/zinc/76/44/36/377764436.db2.gz ABJYSYBHMZIZQK-UHFFFAOYSA-N 0 3 290.370 3.231 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(CC#N)cc2)C[C@@H]1n1ccnc1 ZINC000342756728 377775962 /nfs/dbraw/zinc/77/59/62/377775962.db2.gz VHQOTHIHPGTEQO-YJBOKZPZSA-N 0 3 294.402 3.032 20 30 CGEDHN C=C(C)CN1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000264449541 377986448 /nfs/dbraw/zinc/98/64/48/377986448.db2.gz CLKCYDKLVOYBSY-UHFFFAOYSA-N 0 3 293.342 3.186 20 30 CGEDHN N#Cc1ccc(NC2CCN(C3CC3)CC2)cc1Cl ZINC000264454559 377987008 /nfs/dbraw/zinc/98/70/08/377987008.db2.gz WKRIDOMWURJONS-UHFFFAOYSA-N 0 3 275.783 3.250 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@H](OC)C2)cc1 ZINC000343466077 377988487 /nfs/dbraw/zinc/98/84/87/377988487.db2.gz IHIZECJIPIXGHH-RHSMWYFYSA-N 0 3 275.392 3.108 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1nccc(C)c1C#N)C(C)C ZINC000343521705 378005144 /nfs/dbraw/zinc/00/51/44/378005144.db2.gz FGOLBKFZVKWCFI-KRWDZBQOSA-N 0 3 298.434 3.372 20 30 CGEDHN C=C(CN[C@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000268842524 378129203 /nfs/dbraw/zinc/12/92/03/378129203.db2.gz RBYBDYXFLGPWOZ-CYBMUJFWSA-N 0 3 255.365 3.093 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000578776008 378099098 /nfs/dbraw/zinc/09/90/98/378099098.db2.gz RSTGVWDKKNFPJT-ZFWWWQNUSA-N 0 3 285.347 3.231 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@@H](CO)c2ccccc2)cc1 ZINC000268998898 378170277 /nfs/dbraw/zinc/17/02/77/378170277.db2.gz IQGGKHOUOFIHFZ-KXBFYZLASA-N 0 3 295.382 3.083 20 30 CGEDHN C[C@@H](CCOCc1ccccc1)NC[C@H](C#N)CCC#N ZINC000582237352 378295574 /nfs/dbraw/zinc/29/55/74/378295574.db2.gz YCGRSIXXGQJLGN-RDJZCZTQSA-N 0 3 285.391 3.015 20 30 CGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(C#N)c1 ZINC000618742208 378410791 /nfs/dbraw/zinc/41/07/91/378410791.db2.gz KXWDWZDLQXGKAI-SFHVURJKSA-N 0 3 273.339 3.207 20 30 CGEDHN COCc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742970 378410974 /nfs/dbraw/zinc/41/09/74/378410974.db2.gz UJOTWCMAEUGGQJ-IBGZPJMESA-N 0 3 292.382 3.482 20 30 CGEDHN Cc1ccccc1CN(Cc1ccccn1)C(=O)C(C)C#N ZINC000345792765 378370617 /nfs/dbraw/zinc/37/06/17/378370617.db2.gz IETWEJHSKDBVTO-OAHLLOKOSA-N 0 3 293.370 3.079 20 30 CGEDHN CC(C)C[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584472949 378387153 /nfs/dbraw/zinc/38/71/53/378387153.db2.gz LCSSONJSKWLPIP-OAHLLOKOSA-N 0 3 287.363 3.477 20 30 CGEDHN C#CCCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000271062428 378445696 /nfs/dbraw/zinc/44/56/96/378445696.db2.gz SWAKECFZHOATTJ-AWEZNQCLSA-N 0 3 263.406 3.143 20 30 CGEDHN CCN(CCc1cccs1)Cc1ccc(C#N)o1 ZINC000271104585 378451889 /nfs/dbraw/zinc/45/18/89/378451889.db2.gz ULCONYIXUPSESL-UHFFFAOYSA-N 0 3 260.362 3.277 20 30 CGEDHN CCC(CC)[C@@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271933700 378522264 /nfs/dbraw/zinc/52/22/64/378522264.db2.gz JLHKOWYBAZBVEX-BZNIZROVSA-N 0 3 278.371 3.145 20 30 CGEDHN C[C@H](NC[C@H](O)CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271932638 378522426 /nfs/dbraw/zinc/52/24/26/378522426.db2.gz ISUNJWLOIVTDSU-SMDDNHRTSA-N 0 3 278.371 3.145 20 30 CGEDHN N#Cc1ccc(CN(CCc2ccc(F)cc2)C2CC2)o1 ZINC000271186591 378477151 /nfs/dbraw/zinc/47/71/51/378477151.db2.gz NQYHWOJMOCXRCX-UHFFFAOYSA-N 0 3 284.334 3.497 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000271987828 378538923 /nfs/dbraw/zinc/53/89/23/378538923.db2.gz YKQYNMRVHRSGIZ-NHYWBVRUSA-N 0 3 264.344 3.019 20 30 CGEDHN C[C@@H](NCCN1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964924 378532022 /nfs/dbraw/zinc/53/20/22/378532022.db2.gz VCHQAHFBMQOCCT-ZIAGYGMSSA-N 0 3 289.398 3.222 20 30 CGEDHN C#CCCOc1ccc(CN2CCC(C)(OC)CC2)cc1 ZINC000272330917 378614216 /nfs/dbraw/zinc/61/42/16/378614216.db2.gz DSAKLVWIPDRHQD-UHFFFAOYSA-N 0 3 287.403 3.090 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](N)CCC(C)C ZINC000637888803 378616448 /nfs/dbraw/zinc/61/64/48/378616448.db2.gz HJOJFXMUHRTTAL-AWEZNQCLSA-N 0 3 280.437 3.026 20 30 CGEDHN C[C@H](NCCCC#N)c1ccc(Br)s1 ZINC000273248527 378740785 /nfs/dbraw/zinc/74/07/85/378740785.db2.gz KNEREDWTYYHWOS-QMMMGPOBSA-N 0 3 273.199 3.465 20 30 CGEDHN N#Cc1cccc(C2(N[C@@H]3CCCSC3)CC2)c1 ZINC000272886659 378716600 /nfs/dbraw/zinc/71/66/00/378716600.db2.gz RRSFWDMAMZSKMI-CQSZACIVSA-N 0 3 258.390 3.033 20 30 CGEDHN C=CCOCCCN(C)Cc1cccc(OC(C)C)c1 ZINC000348041159 378762976 /nfs/dbraw/zinc/76/29/76/378762976.db2.gz WIYFEGOQFPPVCU-UHFFFAOYSA-N 0 3 277.408 3.498 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000274293767 378804454 /nfs/dbraw/zinc/80/44/54/378804454.db2.gz PLVXEELUURBPBD-ZDUSSCGKSA-N 0 3 260.381 3.289 20 30 CGEDHN CC[C@@H]1CCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000348158110 378817238 /nfs/dbraw/zinc/81/72/38/378817238.db2.gz KXSYUEVNGMHVPN-UKRRQHHQSA-N 0 3 296.374 3.277 20 30 CGEDHN CC#CCCCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000274356372 378818670 /nfs/dbraw/zinc/81/86/70/378818670.db2.gz QVESTTDNBHXQTH-UHFFFAOYSA-N 0 3 272.392 3.189 20 30 CGEDHN CC(C)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348330564 378913236 /nfs/dbraw/zinc/91/32/36/378913236.db2.gz YAKASLQGCUZISP-INIZCTEOSA-N 0 3 291.826 3.178 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000638875425 378944478 /nfs/dbraw/zinc/94/44/78/378944478.db2.gz SRHDFPGCEQZQQL-ZBFHGGJFSA-N 0 3 288.435 3.431 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc(F)c1N ZINC000638918451 378954580 /nfs/dbraw/zinc/95/45/80/378954580.db2.gz QIAFTZGHDWLBEE-UHFFFAOYSA-N 0 3 274.339 3.232 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000276667705 378977521 /nfs/dbraw/zinc/97/75/21/378977521.db2.gz RGMKJFPXZOCSDX-QGZVFWFLSA-N 0 3 298.430 3.124 20 30 CGEDHN CC(C)[C@@H]1C[C@@H](NCc2cccc(C#N)c2)CS1 ZINC000276847796 379006551 /nfs/dbraw/zinc/00/65/51/379006551.db2.gz CRLNKCSETKNWMH-CABCVRRESA-N 0 3 260.406 3.178 20 30 CGEDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000348837910 379077981 /nfs/dbraw/zinc/07/79/81/379077981.db2.gz LBGVTNNAXJSRLB-KDOFPFPSSA-N 0 3 279.387 3.480 20 30 CGEDHN C=CCC[C@H](C)[NH2+][C@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000277263858 379114104 /nfs/dbraw/zinc/11/41/04/379114104.db2.gz PCUBQDDHJIOFIJ-SDDRHHMPSA-N 0 3 250.390 3.324 20 30 CGEDHN C=CCC[C@H](C)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000277263858 379114110 /nfs/dbraw/zinc/11/41/10/379114110.db2.gz PCUBQDDHJIOFIJ-SDDRHHMPSA-N 0 3 250.390 3.324 20 30 CGEDHN C=CC[C@@H]1N(Cc2ccc(CO)o2)CCCC1(C)C ZINC000278748136 194135986 /nfs/dbraw/zinc/13/59/86/194135986.db2.gz RWCJKJGNKJVDDV-HNNXBMFYSA-N 0 3 263.381 3.339 20 30 CGEDHN CC[C@@H](NC[C@H](O)c1ccsc1)c1ccc(C#N)cc1 ZINC000278791572 194157269 /nfs/dbraw/zinc/15/72/69/194157269.db2.gz QJMLXVQNRQVCAX-CVEARBPZSA-N 0 3 286.400 3.394 20 30 CGEDHN C=CCC[C@@H](NC1CCN(C(=O)OC)CC1)c1ccco1 ZINC000278880938 194194213 /nfs/dbraw/zinc/19/42/13/194194213.db2.gz GYBBJGLDWLHPND-CQSZACIVSA-N 0 3 292.379 3.107 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)c2ccco2)CC1 ZINC000373293445 379256139 /nfs/dbraw/zinc/25/61/39/379256139.db2.gz NJSBETWTKJWACM-UHFFFAOYSA-N 0 3 290.407 3.174 20 30 CGEDHN CC[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(C#N)cc1 ZINC000278289921 379336390 /nfs/dbraw/zinc/33/63/90/379336390.db2.gz QYGKXWPTSLJLJS-IRXDYDNUSA-N 0 3 297.402 3.495 20 30 CGEDHN CC(C)Oc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349828742 379406482 /nfs/dbraw/zinc/40/64/82/379406482.db2.gz MUAFNDZZNXHWST-HUUCEWRRSA-N 0 3 258.365 3.256 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000349828777 379406730 /nfs/dbraw/zinc/40/67/30/379406730.db2.gz NDOQPPRHDBCQKG-DGCLKSJQSA-N 0 3 268.282 3.487 20 30 CGEDHN Cc1nn(-c2ccc(F)cc2)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349851166 379420562 /nfs/dbraw/zinc/42/05/62/379420562.db2.gz NFBUHIFXAXCIOW-CJNGLKHVSA-N 0 3 298.365 3.102 20 30 CGEDHN N#CCCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374573519 379462683 /nfs/dbraw/zinc/46/26/83/379462683.db2.gz ZUTLXZIAHBECBI-NSHDSACASA-N 0 3 260.303 3.345 20 30 CGEDHN C=CCN(Cc1cc(OC)c(OC)cc1C)C1CC1 ZINC000350271353 379533590 /nfs/dbraw/zinc/53/35/90/379533590.db2.gz VFAHIXCFDAEBSY-UHFFFAOYSA-N 0 3 261.365 3.163 20 30 CGEDHN CC#CCCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000375833511 379512419 /nfs/dbraw/zinc/51/24/19/379512419.db2.gz SWRZYYKMSKUVGP-UHFFFAOYSA-N 0 3 295.386 3.329 20 30 CGEDHN C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C1 ZINC000266939024 190292726 /nfs/dbraw/zinc/29/27/26/190292726.db2.gz PJGYDMRHOWXNBG-GFCCVEGCSA-N 0 3 296.374 3.229 20 30 CGEDHN N#Cc1ccc(F)c(CN[C@H]2CCc3ccccc3OC2)c1 ZINC000376472330 379561156 /nfs/dbraw/zinc/56/11/56/379561156.db2.gz OBNWHXUGCINQNC-INIZCTEOSA-N 0 3 296.345 3.181 20 30 CGEDHN C=CCCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000279018991 194251225 /nfs/dbraw/zinc/25/12/25/194251225.db2.gz ABXHIVOERAVTBN-LBPRGKRZSA-N 0 3 252.383 3.050 20 30 CGEDHN C=C[C@@H](CO)NCc1ccc(Oc2cccc(F)c2)cc1 ZINC000352453375 379822619 /nfs/dbraw/zinc/82/26/19/379822619.db2.gz NBGRIWJHVPATHS-HNNXBMFYSA-N 0 3 287.334 3.255 20 30 CGEDHN C[C@@H]1CN(CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000396596030 379922605 /nfs/dbraw/zinc/92/26/05/379922605.db2.gz ZQTRHFOHVOWFGH-MRXNPFEDSA-N 0 3 285.435 3.133 20 30 CGEDHN CCOCCC1(CNCc2nc(C#N)cs2)CCCC1 ZINC000352824101 379983393 /nfs/dbraw/zinc/98/33/93/379983393.db2.gz CLWUJMKHHDZGRM-UHFFFAOYSA-N 0 3 293.436 3.091 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCC2(F)F)cc1F ZINC000404261813 379979750 /nfs/dbraw/zinc/97/97/50/379979750.db2.gz RVFBDNVVAHTHJP-GFCCVEGCSA-N 0 3 268.282 3.222 20 30 CGEDHN CC(C)CCC[C@@H](C)NCc1nc(C#N)cs1 ZINC000352843632 379998531 /nfs/dbraw/zinc/99/85/31/379998531.db2.gz BIZIATGTPGOIML-LLVKDONJSA-N 0 3 251.399 3.319 20 30 CGEDHN C=C(C)CN(CCC[C@H](C)O)Cc1cnn(C(C)C)c1 ZINC000352899269 380025816 /nfs/dbraw/zinc/02/58/16/380025816.db2.gz CCZLLHNPWLWOMM-HNNXBMFYSA-N 0 3 279.428 3.003 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000352917384 380037005 /nfs/dbraw/zinc/03/70/05/380037005.db2.gz WYLMOOVHUDBVPX-RBSFLKMASA-N 0 3 280.412 3.170 20 30 CGEDHN CCOc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000411445134 380146260 /nfs/dbraw/zinc/14/62/60/380146260.db2.gz GIYGPKXJKWFAFF-QWHCGFSZSA-N 0 3 276.380 3.437 20 30 CGEDHN COc1ccc([C@H](C)N[C@H](C)CCC#N)cc1F ZINC000411447892 380147608 /nfs/dbraw/zinc/14/76/08/380147608.db2.gz BSBVVALBHZPGPH-MNOVXSKESA-N 0 3 250.317 3.177 20 30 CGEDHN C=C(CNCc1ccc(N2CCCC2)nc1)c1ccccc1 ZINC000268167348 190382735 /nfs/dbraw/zinc/38/27/35/190382735.db2.gz FWJZSAUFMKXORW-UHFFFAOYSA-N 0 3 293.414 3.485 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000268048967 190372545 /nfs/dbraw/zinc/37/25/45/190372545.db2.gz RKACVFWYQKRMID-MRXNPFEDSA-N 0 3 295.361 3.066 20 30 CGEDHN COC(=O)CC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411181311 380134069 /nfs/dbraw/zinc/13/40/69/380134069.db2.gz AMRVUZBLEXIZPZ-UHFFFAOYSA-N 0 3 292.423 3.126 20 30 CGEDHN N#CCCCOc1cccc(CN2CCC23CCC3)c1 ZINC000353655353 380218591 /nfs/dbraw/zinc/21/85/91/380218591.db2.gz ORUHVMQOHCFTHM-UHFFFAOYSA-N 0 3 270.376 3.498 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CS[C@H](C)C2)cc1OC ZINC000414495025 380270394 /nfs/dbraw/zinc/27/03/94/380270394.db2.gz AWZHRFIJCFCETP-TZMCWYRMSA-N 0 3 293.432 3.244 20 30 CGEDHN C=CCC[C@@H](NCCc1cc(C)no1)c1ccco1 ZINC000353996715 380270471 /nfs/dbraw/zinc/27/04/71/380270471.db2.gz PLMFGZQXCKLBAA-CQSZACIVSA-N 0 3 260.337 3.416 20 30 CGEDHN CCN(Cc1cnc2ccc(C#N)cn12)C1CC(C)(C)C1 ZINC000414541017 380309531 /nfs/dbraw/zinc/30/95/31/380309531.db2.gz VLJWMAROIVOVIY-UHFFFAOYSA-N 0 3 282.391 3.216 20 30 CGEDHN C=CCOc1ccc(CN(CC)[C@@H](C)CO)cc1Cl ZINC000354437331 380437366 /nfs/dbraw/zinc/43/73/66/380437366.db2.gz RLGBSQCBFFMYFE-LBPRGKRZSA-N 0 3 283.799 3.108 20 30 CGEDHN C=C(CNC[C@H](O)COc1cccc(C)c1)c1ccccc1 ZINC000644647334 380469103 /nfs/dbraw/zinc/46/91/03/380469103.db2.gz QUBVVDAXTCXELH-SFHVURJKSA-N 0 3 297.398 3.038 20 30 CGEDHN C=CC[C@H](CC)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416227586 380526693 /nfs/dbraw/zinc/52/66/93/380526693.db2.gz QAANSYVMOQQNRI-JKSUJKDBSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CCOCCN1CCC(OCc2ccccc2F)CC1 ZINC000645105863 380584183 /nfs/dbraw/zinc/58/41/83/380584183.db2.gz AHHOHZDJLVUJSN-UHFFFAOYSA-N 0 3 293.382 3.009 20 30 CGEDHN C=CCOCCN(CCC)Cc1ccccc1F ZINC000645080609 380574034 /nfs/dbraw/zinc/57/40/34/380574034.db2.gz RTGCEXUYODMSRG-UHFFFAOYSA-N 0 3 251.345 3.240 20 30 CGEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)CC(C)C ZINC000417360085 380607234 /nfs/dbraw/zinc/60/72/34/380607234.db2.gz JKEILNBFBJXYPA-BBRMVZONSA-N 0 3 260.381 3.270 20 30 CGEDHN C=C[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356092846 380789945 /nfs/dbraw/zinc/78/99/45/380789945.db2.gz IJDGVBIBDOODSS-VIFPVBQESA-N 0 3 254.255 3.241 20 30 CGEDHN CCC[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000419316983 380801973 /nfs/dbraw/zinc/80/19/73/380801973.db2.gz RGMHGYKCMLYAPE-IAGOWNOFSA-N 0 3 299.418 3.033 20 30 CGEDHN CCC(C)(C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000348310173 218566555 /nfs/dbraw/zinc/56/65/55/218566555.db2.gz WBBYUHLDAQWPBK-INIZCTEOSA-N 0 3 299.418 3.174 20 30 CGEDHN C=CCSCCN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000358024613 381287688 /nfs/dbraw/zinc/28/76/88/381287688.db2.gz REVCDBMDPMTVJH-KRWDZBQOSA-N 0 3 299.443 3.269 20 30 CGEDHN C=CCOc1cccc(CNC(C)(C)CCC(=O)OC)c1 ZINC000358291606 381302134 /nfs/dbraw/zinc/30/21/34/381302134.db2.gz TXMBQAZUQVJQME-UHFFFAOYSA-N 0 3 291.391 3.073 20 30 CGEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1F ZINC000359609119 381354544 /nfs/dbraw/zinc/35/45/44/381354544.db2.gz JWELAJUNRNABMZ-ZANVPECISA-N 0 3 282.746 3.452 20 30 CGEDHN C=CCC1(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CCC1 ZINC000359641706 381358544 /nfs/dbraw/zinc/35/85/44/381358544.db2.gz WELQNXOHMLQACP-HUUCEWRRSA-N 0 3 278.440 3.112 20 30 CGEDHN COCCN(Cc1ccc(C#N)s1)[C@@H]1CC[C@@H](C)C1 ZINC000361639411 381848917 /nfs/dbraw/zinc/84/89/17/381848917.db2.gz ONGFPHLPPGVROM-CHWSQXEVSA-N 0 3 278.421 3.257 20 30 CGEDHN CCO[C@@H]1C[C@H](N(C)CC#Cc2ccccc2)C12CCC2 ZINC000361824891 381871889 /nfs/dbraw/zinc/87/18/89/381871889.db2.gz HDFWHOOFZKPXGI-ZWKOTPCHSA-N 0 3 283.415 3.318 20 30 CGEDHN C[C@H]1CN(Cc2cn3ccccc3c2C#N)C(C)(C)C1 ZINC000350338608 219009904 /nfs/dbraw/zinc/00/99/04/219009904.db2.gz ZBSNAABPPSFUIJ-CYBMUJFWSA-N 0 3 267.376 3.431 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000347072282 533117825 /nfs/dbraw/zinc/11/78/25/533117825.db2.gz PNZKCURRJOTIMQ-BLLLJJGKSA-N 0 3 282.318 3.191 20 30 CGEDHN C=CC[C@H](C)N[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000116907774 260007921 /nfs/dbraw/zinc/00/79/21/260007921.db2.gz CVKRFBDNKNZNNE-GOEBONIOSA-N 0 3 274.408 3.150 20 30 CGEDHN C=CC[C@@H](C)NCc1cc2c(cc1Br)OCO2 ZINC000116927476 262196031 /nfs/dbraw/zinc/19/60/31/262196031.db2.gz CPRYWIOIYYKKIV-SECBINFHSA-N 0 3 298.180 3.232 20 30 CGEDHN Cc1cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1C#N ZINC000411926529 533631386 /nfs/dbraw/zinc/63/13/86/533631386.db2.gz PVZBJIPHIWHERG-RBUKOAKNSA-N 0 3 292.382 3.175 20 30 CGEDHN CN(Cc1ccc(C#N)s1)CC1(O)CCCCCC1 ZINC000190141882 130065619 /nfs/dbraw/zinc/06/56/19/130065619.db2.gz NHJTXGTUFCTDLO-UHFFFAOYSA-N 0 3 278.421 3.137 20 30 CGEDHN CCC1(C)CCN(CCOc2ccccc2C#N)CC1 ZINC000060941593 392124518 /nfs/dbraw/zinc/12/45/18/392124518.db2.gz FIWNHULRMJPGIQ-UHFFFAOYSA-N 0 3 272.392 3.449 20 30 CGEDHN Cc1ccc(SCCNCc2ccc(C#N)o2)cc1 ZINC000237774371 131056516 /nfs/dbraw/zinc/05/65/16/131056516.db2.gz PUEFDXZSVCFBDQ-UHFFFAOYSA-N 0 3 272.373 3.342 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000289710396 392429683 /nfs/dbraw/zinc/42/96/83/392429683.db2.gz JBOFQRCVPXIOPB-ZFWWWQNUSA-N 0 3 292.398 3.014 20 30 CGEDHN CC(C)(CCC#N)CN1CCN(c2ccccc2C#N)CC1 ZINC000126956508 392445318 /nfs/dbraw/zinc/44/53/18/392445318.db2.gz CFSZGLDMBKAQHH-UHFFFAOYSA-N 0 3 296.418 3.010 20 30 CGEDHN C=CCCCCCN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374014436 392667020 /nfs/dbraw/zinc/66/70/20/392667020.db2.gz NXXWPFXNRROFLV-IKGGRYGDSA-N 0 3 281.440 3.391 20 30 CGEDHN CCCCO[C@H]1C[C@@H](N(C)CCCC#N)C1(C)C ZINC000177734859 392667713 /nfs/dbraw/zinc/66/77/13/392667713.db2.gz ULWTWZYCGKHZLN-KGLIPLIRSA-N 0 3 252.402 3.206 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374179506 392671314 /nfs/dbraw/zinc/67/13/14/392671314.db2.gz UCKDDDLNXYSNOR-SCUASFONSA-N 0 3 257.805 3.000 20 30 CGEDHN C=CCC[C@H](C)N[C@H](CCO)c1ccccc1F ZINC000647345435 392694290 /nfs/dbraw/zinc/69/42/90/392694290.db2.gz JHHNBHXFWCLJFJ-SWLSCSKDSA-N 0 3 251.345 3.194 20 30 CGEDHN COc1ccc([N+](=O)[O-])cc1CNCC(C)(C)CCC#N ZINC000174351185 392639623 /nfs/dbraw/zinc/63/96/23/392639623.db2.gz IRAWJDVDVGQLIO-UHFFFAOYSA-N 0 3 291.351 3.023 20 30 CGEDHN C=CCCOCCN[C@H](CC(C)C)c1ccncc1 ZINC000647295711 392647957 /nfs/dbraw/zinc/64/79/57/392647957.db2.gz SKFSCFNSPHIFOI-MRXNPFEDSA-N 0 3 262.397 3.351 20 30 CGEDHN N#CC1(c2ccccn2)CCN(C[C@H]2CC=CCC2)CC1 ZINC000334234192 392713184 /nfs/dbraw/zinc/71/31/84/392713184.db2.gz ZBJGOWHPEFMNNC-INIZCTEOSA-N 0 3 281.403 3.295 20 30 CGEDHN C=CCOCCCN1CCC(C)=C(c2ccco2)C1 ZINC000338344113 392911339 /nfs/dbraw/zinc/91/13/39/392911339.db2.gz PFBHTYHBHFRLER-UHFFFAOYSA-N 0 3 261.365 3.352 20 30 CGEDHN C[C@H]1[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCCN1C ZINC000513023623 392851803 /nfs/dbraw/zinc/85/18/03/392851803.db2.gz KIXOFCQECGCKQQ-GWCFXTLKSA-N 0 3 297.324 3.472 20 30 CGEDHN C=CCOCCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000339002843 392939501 /nfs/dbraw/zinc/93/95/01/392939501.db2.gz LQTYGZTXYCRNHF-ZBFHGGJFSA-N 0 3 277.433 3.368 20 30 CGEDHN C=CCOCCN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000339080754 392946133 /nfs/dbraw/zinc/94/61/33/392946133.db2.gz NDXAXAJELONSNL-KBPBESRZSA-N 0 3 275.392 3.205 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCCCS2)cc1F ZINC000404155155 392962141 /nfs/dbraw/zinc/96/21/41/392962141.db2.gz VFEYYHFIMGJSGT-CYBMUJFWSA-N 0 3 264.369 3.073 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)cc1F ZINC000404051972 392963149 /nfs/dbraw/zinc/96/31/49/392963149.db2.gz FNRLSGRYUIJXAV-BBRMVZONSA-N 0 3 258.340 3.462 20 30 CGEDHN C[C@H](CCC#N)N1CCC2(CC1)OCCc1ccccc12 ZINC000411887219 392990517 /nfs/dbraw/zinc/99/05/17/392990517.db2.gz YVLAMBHGHOVRRD-OAHLLOKOSA-N 0 3 284.403 3.243 20 30 CGEDHN CC1(C)CC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000346125025 393077012 /nfs/dbraw/zinc/07/70/12/393077012.db2.gz YDANIGGXBRCRHU-CABCVRRESA-N 0 3 270.376 3.064 20 30 CGEDHN CC#CCN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349368603 393146886 /nfs/dbraw/zinc/14/68/86/393146886.db2.gz KAGDGTCXYSDEIL-HNNXBMFYSA-N 0 3 286.423 3.055 20 30 CGEDHN CC#CCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000349368603 393146889 /nfs/dbraw/zinc/14/68/89/393146889.db2.gz KAGDGTCXYSDEIL-HNNXBMFYSA-N 0 3 286.423 3.055 20 30 CGEDHN C=CCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000263682521 393153395 /nfs/dbraw/zinc/15/33/95/393153395.db2.gz PCEKIMLYDQETEK-WBVHZDCISA-N 0 3 284.403 3.096 20 30 CGEDHN CN(C)[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccco1 ZINC000353391362 393221377 /nfs/dbraw/zinc/22/13/77/393221377.db2.gz WXZOFLPPIWCKIU-SJORKVTESA-N 0 3 295.386 3.031 20 30 CGEDHN C=CC(C)(C)CNCc1nc2c(s1)CCCC2 ZINC000648733012 393227884 /nfs/dbraw/zinc/22/78/84/393227884.db2.gz CNIXRTIAJZYHMN-UHFFFAOYSA-N 0 3 250.411 3.324 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)CNCc1ccc(C#N)cc1F ZINC000269813148 393232721 /nfs/dbraw/zinc/23/27/21/393232721.db2.gz MWOXZVBRMNKHIO-JTQLQIEISA-N 0 3 287.338 3.196 20 30 CGEDHN C[C@H](NCCN1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906979 393255131 /nfs/dbraw/zinc/25/51/31/393255131.db2.gz CLSVGNJBJFAFOH-KGLIPLIRSA-N 0 3 289.398 3.080 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)CC1=CCCOC1 ZINC000279648191 393334599 /nfs/dbraw/zinc/33/45/99/393334599.db2.gz KEFZBMSWEPRCFX-UHFFFAOYSA-N 0 3 257.377 3.411 20 30 CGEDHN CC1(C)C[C@H](N[C@H](CCC#N)c2ccccc2)CO1 ZINC000417948762 393357279 /nfs/dbraw/zinc/35/72/79/393357279.db2.gz JIAUIGFQOQDOMP-LSDHHAIUSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](c2ccccc2)C(C)(C)C)C1=O ZINC000281908116 393368943 /nfs/dbraw/zinc/36/89/43/393368943.db2.gz GIFLWJGVWNWXPB-HZPDHXFCSA-N 0 3 286.419 3.150 20 30 CGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1OC ZINC000357556522 393511496 /nfs/dbraw/zinc/51/14/96/393511496.db2.gz UXMXYBDINMWTAJ-IUODEOHRSA-N 0 3 258.365 3.330 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000359071580 393534570 /nfs/dbraw/zinc/53/45/70/393534570.db2.gz LNUOSSYGCNHOMB-RDJZCZTQSA-N 0 3 286.419 3.294 20 30 CGEDHN CSC1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000433079792 393683366 /nfs/dbraw/zinc/68/33/66/393683366.db2.gz YNSXOBINMNWXQV-SNVBAGLBSA-N 0 3 264.369 3.244 20 30 CGEDHN C=CCOc1cccc(CN(C(C)C)[C@H]2CCOC2)c1 ZINC000361054038 393656915 /nfs/dbraw/zinc/65/69/15/393656915.db2.gz SUWMTKVXJAMBIH-INIZCTEOSA-N 0 3 275.392 3.251 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(Br)cn2)C1 ZINC000449446161 393881681 /nfs/dbraw/zinc/88/16/81/393881681.db2.gz ODXPGTYPDIEHHL-JQWIXIFHSA-N 0 3 294.196 3.016 20 30 CGEDHN CC/C=C\CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000449449856 393882532 /nfs/dbraw/zinc/88/25/32/393882532.db2.gz AAPDHXDWSFQVLK-XQRVVYSFSA-N 0 3 288.391 3.434 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)s1 ZINC000449449816 393882658 /nfs/dbraw/zinc/88/26/58/393882658.db2.gz FBUCQTXVNQYNCE-BZUAXINKSA-N 0 3 290.432 3.135 20 30 CGEDHN COc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cc1C#N ZINC000449545659 393894242 /nfs/dbraw/zinc/89/42/42/393894242.db2.gz ZEYQWWLXCISBGL-FUHWJXTLSA-N 0 3 282.387 3.187 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(O[C@H](C)COC)cc1 ZINC000667473527 542873136 /nfs/dbraw/zinc/87/31/36/542873136.db2.gz MSOYRMDKRWKNGQ-OAHLLOKOSA-N 0 3 277.408 3.498 20 30 CGEDHN CO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)C12CCC2 ZINC000453197371 394201906 /nfs/dbraw/zinc/20/19/06/394201906.db2.gz SLQBFEDXZWFSAG-XFBWCDHKSA-N 0 3 288.366 3.306 20 30 CGEDHN N#Cc1ccc2c(c1)[C@@H](NCCOCC1CCCC1)CC2 ZINC000453388904 394227926 /nfs/dbraw/zinc/22/79/26/394227926.db2.gz GCPPMYWCCRUHPB-SFHVURJKSA-N 0 3 284.403 3.342 20 30 CGEDHN C=CCN(CCCOC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000171500415 335067359 /nfs/dbraw/zinc/06/73/59/335067359.db2.gz FOODKKIRENILGU-UHFFFAOYSA-N 0 3 292.379 3.398 20 30 CGEDHN CCC#C[C@H](C)N1CCC(N2CCc3ccccc32)CC1 ZINC000669694833 543118678 /nfs/dbraw/zinc/11/86/78/543118678.db2.gz ARZPIZVQMOXZIB-INIZCTEOSA-N 0 3 282.431 3.315 20 30 CGEDHN COC1(CNCc2ccc(C#N)c(Cl)c2)CCCC1 ZINC000619748581 397714752 /nfs/dbraw/zinc/71/47/52/397714752.db2.gz OJZJGFJMGJOXIO-UHFFFAOYSA-N 0 3 278.783 3.260 20 30 CGEDHN Cc1ccc(N[C@H](C)CN(C)Cc2ccccc2)nc1C#N ZINC000302739036 292162000 /nfs/dbraw/zinc/16/20/00/292162000.db2.gz BYJDPGKRDBEHEM-OAHLLOKOSA-N 0 3 294.402 3.194 20 30 CGEDHN COCC#CCN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000677820538 543467794 /nfs/dbraw/zinc/46/77/94/543467794.db2.gz QKFZISSTMPLPET-UONOGXRCSA-N 0 3 279.811 3.414 20 30 CGEDHN CCN(CC#CCOC)Cc1ccc2ccccc2c1 ZINC000677818825 543468312 /nfs/dbraw/zinc/46/83/12/543468312.db2.gz WOFGKFPSSQAWBP-UHFFFAOYSA-N 0 3 267.372 3.312 20 30 CGEDHN C=CCOc1ccccc1CN(CCO)CC(C)(C)C ZINC000678241584 543500322 /nfs/dbraw/zinc/50/03/22/543500322.db2.gz YQDZSZYXKJFNDX-UHFFFAOYSA-N 0 3 277.408 3.092 20 30 CGEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CC2)C12CCCCC2 ZINC000348157190 286490037 /nfs/dbraw/zinc/49/00/37/286490037.db2.gz FFESZBHYIFBAQN-KGLIPLIRSA-N 0 3 262.397 3.008 20 30 CGEDHN CC(C)n1cc([C@H](C)NCCOc2ccc(C#N)cc2)cn1 ZINC000090107821 165226795 /nfs/dbraw/zinc/22/67/95/165226795.db2.gz OTWRKQQXCUQZAX-AWEZNQCLSA-N 0 3 298.390 3.065 20 30 CGEDHN CC1(C)C[C@@H](NCc2cc(C#N)ccc2F)C(C)(C)O1 ZINC000090117478 165228605 /nfs/dbraw/zinc/22/86/05/165228605.db2.gz NVKSFVLVOJTDJS-CQSZACIVSA-N 0 3 276.355 3.133 20 30 CGEDHN C[C@H]1OCC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412213 165264546 /nfs/dbraw/zinc/26/45/46/165264546.db2.gz MAPLBOAMHPNTKN-AUUYWEPGSA-N 0 3 292.382 3.492 20 30 CGEDHN CC[C@H](C)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000171348020 165512882 /nfs/dbraw/zinc/51/28/82/165512882.db2.gz NXVVGOHQOJBFCI-AWEZNQCLSA-N 0 3 294.402 3.027 20 30 CGEDHN Cc1nc(C)c([C@H](C)NCc2ccc(C#N)cc2)s1 ZINC000040445707 174265176 /nfs/dbraw/zinc/26/51/76/174265176.db2.gz MMYCRZGTAGXETL-JTQLQIEISA-N 0 3 271.389 3.482 20 30 CGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCCCC1 ZINC000070921487 176011720 /nfs/dbraw/zinc/01/17/20/176011720.db2.gz HGZHPRFTIBYZRP-MRXNPFEDSA-N 0 3 299.418 3.198 20 30 CGEDHN COCC#CCN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000679221037 543601603 /nfs/dbraw/zinc/60/16/03/543601603.db2.gz PLARBLXDEWBGCN-HNNXBMFYSA-N 0 3 275.367 3.045 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000679463124 543637796 /nfs/dbraw/zinc/63/77/96/543637796.db2.gz ORIMXWAVDJHCAH-NSHDSACASA-N 0 3 269.772 3.202 20 30 CGEDHN C=CCOCCN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000679576648 543648130 /nfs/dbraw/zinc/64/81/30/543648130.db2.gz QLHCARBYIICLME-LLVKDONJSA-N 0 3 289.297 3.438 20 30 CGEDHN CC(C)Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000680617473 543720281 /nfs/dbraw/zinc/72/02/81/543720281.db2.gz QHMRWZADXQMWGH-OAHLLOKOSA-N 0 3 279.343 3.165 20 30 CGEDHN C=C(C)CCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000681406671 543787273 /nfs/dbraw/zinc/78/72/73/543787273.db2.gz VNLIHVHAWYNAST-INIZCTEOSA-N 0 3 255.365 3.180 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1CN(C)C ZINC000680995414 543753749 /nfs/dbraw/zinc/75/37/49/543753749.db2.gz PQVJZQOOTTVRQC-CYBMUJFWSA-N 0 3 260.381 3.289 20 30 CGEDHN CC#CCCNCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000681489590 543791484 /nfs/dbraw/zinc/79/14/84/543791484.db2.gz JYPWQDYIUKMKJP-UHFFFAOYSA-N 0 3 293.370 3.336 20 30 CGEDHN CCC1(CC)[C@H](NCc2cc(C#N)cs2)C[C@@H]1OC ZINC000131394440 287378368 /nfs/dbraw/zinc/37/83/68/287378368.db2.gz XDKPHMNSLZOYMT-KGLIPLIRSA-N 0 3 278.421 3.303 20 30 CGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)[nH]1 ZINC000682995602 543885313 /nfs/dbraw/zinc/88/53/13/543885313.db2.gz ZBMHUKMQPJGGFV-CYBMUJFWSA-N 0 3 290.326 3.065 20 30 CGEDHN COCC#CCN1CCC(c2cccc(Cl)c2)CC1 ZINC000684623914 544020945 /nfs/dbraw/zinc/02/09/45/544020945.db2.gz KMHHXZCSNFXGCX-UHFFFAOYSA-N 0 3 277.795 3.169 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nc(C)sc1C ZINC000684773950 544028362 /nfs/dbraw/zinc/02/83/62/544028362.db2.gz MVJSLZYPBNXZPJ-DGFSRKRXSA-N 0 3 280.437 3.392 20 30 CGEDHN C[C@@H]1CCCC[C@H]1CCNCc1nc(C#N)cs1 ZINC000352834492 227310456 /nfs/dbraw/zinc/31/04/56/227310456.db2.gz ISIYRAPUABVOEF-NEPJUHHUSA-N 0 3 263.410 3.321 20 30 CGEDHN N#Cc1cccc(CN[C@H](CCO)C2CCCCC2)c1F ZINC000355011942 227311369 /nfs/dbraw/zinc/31/13/69/227311369.db2.gz MKSQFUOAVQGHQE-MRXNPFEDSA-N 0 3 290.382 3.118 20 30 CGEDHN C=C[C@H](C)NCc1cn(-c2ccccc2Cl)nc1C ZINC000655748866 419086044 /nfs/dbraw/zinc/08/60/44/419086044.db2.gz MAQDLQYPJZCEPB-NSHDSACASA-N 0 3 275.783 3.498 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@H](N)C(C)C)nn1 ZINC000656457952 419173092 /nfs/dbraw/zinc/17/30/92/419173092.db2.gz UJJJEDYFECRQGI-DOTOQJQBSA-N 0 3 284.407 3.294 20 30 CGEDHN C=CCN(CCc1cccc(F)c1F)[C@@H](C)COC ZINC000661240637 419243093 /nfs/dbraw/zinc/24/30/93/419243093.db2.gz PJJSHEXSYLGDIC-LBPRGKRZSA-N 0 3 269.335 3.030 20 30 CGEDHN C=CC[C@H]1CCCN([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000661378837 419255323 /nfs/dbraw/zinc/25/53/23/419255323.db2.gz MZRBJCZLFZNOGJ-KBPBESRZSA-N 0 3 298.390 3.481 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000661379876 419255958 /nfs/dbraw/zinc/25/59/58/419255958.db2.gz BTZKJOUCMYCVFU-CQSZACIVSA-N 0 3 255.365 3.122 20 30 CGEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H](C(C)C)C2)nn1 ZINC000657353427 419257777 /nfs/dbraw/zinc/25/77/77/419257777.db2.gz NCJQOJSTIKHJBA-CABCVRRESA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](C)[C@@H]1CC1(F)F ZINC000666444928 419218647 /nfs/dbraw/zinc/21/86/47/419218647.db2.gz MEQCZDKPVKCMKJ-YPMHNXCESA-N 0 3 267.319 3.385 20 30 CGEDHN N#CC[C@H]1CCCN(CCCC(=O)c2ccccc2)C1 ZINC000661151562 419235276 /nfs/dbraw/zinc/23/52/76/419235276.db2.gz DBTSEXLCMFADJL-OAHLLOKOSA-N 0 3 270.376 3.275 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2scnc2C)cc1 ZINC000657436466 419278336 /nfs/dbraw/zinc/27/83/36/419278336.db2.gz VFKUUSNKEBBQDJ-HNNXBMFYSA-N 0 3 288.416 3.145 20 30 CGEDHN C=CCC[C@@H](O)CN(Cc1ccccc1F)CC1CC1 ZINC000661795007 419299809 /nfs/dbraw/zinc/29/98/09/419299809.db2.gz UQFWPNHPEDOWSB-MRXNPFEDSA-N 0 3 277.383 3.365 20 30 CGEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661969561 419317870 /nfs/dbraw/zinc/31/78/70/419317870.db2.gz CETIFHKGPDPXHA-ZIAGYGMSSA-N 0 3 279.305 3.399 20 30 CGEDHN C=C(C)COCCNCc1cc2ccc(C)cc2[nH]1 ZINC000657398818 419270054 /nfs/dbraw/zinc/27/00/54/419270054.db2.gz NMRNUEKGPSBBBI-UHFFFAOYSA-N 0 3 258.365 3.159 20 30 CGEDHN Cc1ccnc2ccc(C(=O)C(C#N)c3ccccn3)cc12 ZINC000353513882 228113166 /nfs/dbraw/zinc/11/31/66/228113166.db2.gz FSHBMZQEWGHRSG-OAHLLOKOSA-N 0 3 287.322 3.428 20 30 CGEDHN C=CCOCCCNCc1cscc1C(F)(F)F ZINC000657659494 419321536 /nfs/dbraw/zinc/32/15/36/419321536.db2.gz ZRAVCRKLSHBZIS-UHFFFAOYSA-N 0 3 279.327 3.449 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000662082993 419333138 /nfs/dbraw/zinc/33/31/38/419333138.db2.gz ZCNYDKHBMAVTHS-HHARLNAUSA-N 0 3 290.451 3.347 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@H](C)CC(C)C ZINC000662084726 419334566 /nfs/dbraw/zinc/33/45/66/419334566.db2.gz VSDNHOLVYCURID-OAGGEKHMSA-N 0 3 278.440 3.062 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1csc(N(C)C)n1 ZINC000657899057 419422415 /nfs/dbraw/zinc/42/24/15/419422415.db2.gz UPIZSUHSXWIXCJ-GXTWGEPZSA-N 0 3 279.453 3.434 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C)s1 ZINC000657971360 419468093 /nfs/dbraw/zinc/46/80/93/419468093.db2.gz KCJWNBBXZSBMEC-NWDGAFQWSA-N 0 3 251.399 3.071 20 30 CGEDHN C=CCCN[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000658115435 419587574 /nfs/dbraw/zinc/58/75/74/419587574.db2.gz CFJWXBFJRDBTAL-NSHDSACASA-N 0 3 290.798 3.456 20 30 CGEDHN N#CCCCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000071122672 260271918 /nfs/dbraw/zinc/27/19/18/260271918.db2.gz KQKHIZNWSZEXLN-AWEZNQCLSA-N 0 3 278.421 3.423 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(OC)c(F)c1 ZINC000090451393 260359606 /nfs/dbraw/zinc/35/96/06/260359606.db2.gz VBZRTVNPTBKVSR-GFCCVEGCSA-N 0 3 267.344 3.078 20 30 CGEDHN COCc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1F ZINC000185713948 262068057 /nfs/dbraw/zinc/06/80/57/262068057.db2.gz PQXBWSOWOOONQC-WFASDCNBSA-N 0 3 276.355 3.144 20 30 CGEDHN C=CCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000364058255 262128973 /nfs/dbraw/zinc/12/89/73/262128973.db2.gz WBNOJWYVXGCRSN-ZDUSSCGKSA-N 0 3 287.338 3.241 20 30 CGEDHN C[C@H]1CC(O)C[C@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000191285343 262191064 /nfs/dbraw/zinc/19/10/64/262191064.db2.gz ZIJMGORSVMUBOZ-KBPBESRZSA-N 0 3 286.419 3.221 20 30 CGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OC(F)F)cc2)C1 ZINC000192607302 262206110 /nfs/dbraw/zinc/20/61/10/262206110.db2.gz JCUXXALGKJHVBJ-STQMWFEESA-N 0 3 280.318 3.460 20 30 CGEDHN CN(C)CCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000193111039 262216684 /nfs/dbraw/zinc/21/66/84/262216684.db2.gz YBCGUGHPHIHBEZ-GDBMZVCRSA-N 0 3 287.407 3.121 20 30 CGEDHN N#CCC[C@@H](NC[C@H]1CCC=CO1)c1ccccc1 ZINC000194523662 262238906 /nfs/dbraw/zinc/23/89/06/262238906.db2.gz WTHBZFDPKYVZPB-HZPDHXFCSA-N 0 3 256.349 3.314 20 30 CGEDHN C=CC[C@@H](CC)NCc1ccc(Br)cn1 ZINC000336768161 262245786 /nfs/dbraw/zinc/24/57/86/262245786.db2.gz TYEUGHWFCGVKPJ-LLVKDONJSA-N 0 3 269.186 3.288 20 30 CGEDHN C=CC1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000111257211 262258563 /nfs/dbraw/zinc/25/85/63/262258563.db2.gz NNGINPSWVFYYAY-DLBZAZTESA-N 0 3 290.451 3.066 20 30 CGEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000054182571 262260162 /nfs/dbraw/zinc/26/01/62/262260162.db2.gz FCGJJXXCPUIFKI-TZMCWYRMSA-N 0 3 274.364 3.018 20 30 CGEDHN CC[C@]1(C)COCCN1CCCCC(C)(C)C#N ZINC000336783535 262394723 /nfs/dbraw/zinc/39/47/23/262394723.db2.gz ANECEQUYDGBNHV-OAHLLOKOSA-N 0 3 252.402 3.207 20 30 CGEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)O1 ZINC000336783643 262394753 /nfs/dbraw/zinc/39/47/53/262394753.db2.gz DARXLBKUYKMENN-UONOGXRCSA-N 0 3 252.402 3.206 20 30 CGEDHN N#CCCCN[C@H]1CCc2c1cc(Br)cc2F ZINC000273210496 263014019 /nfs/dbraw/zinc/01/40/19/263014019.db2.gz KFJBMRNYCQFCJX-ZDUSSCGKSA-N 0 3 297.171 3.469 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(N2CCCC2=O)c1 ZINC000274578134 263026892 /nfs/dbraw/zinc/02/68/92/263026892.db2.gz BWIRTPHTKGNIRO-SQWLQELKSA-N 0 3 297.402 3.156 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000275643895 263033717 /nfs/dbraw/zinc/03/37/17/263033717.db2.gz SGFSEBLKIODQQU-HYVNUMGLSA-N 0 3 267.376 3.356 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000275643916 263033773 /nfs/dbraw/zinc/03/37/73/263033773.db2.gz SGFSEBLKIODQQU-OIISXLGYSA-N 0 3 267.376 3.356 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC000278213638 263045830 /nfs/dbraw/zinc/04/58/30/263045830.db2.gz IGDYOHCLXCLQDQ-PWSUYJOCSA-N 0 3 250.292 3.137 20 30 CGEDHN C=C[C@H](CC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000340146045 263077876 /nfs/dbraw/zinc/07/78/76/263077876.db2.gz AWMZWHRSKCOLDM-CRAIPNDOSA-N 0 3 298.430 3.041 20 30 CGEDHN Cc1cc(Cl)nc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000282759327 263078631 /nfs/dbraw/zinc/07/86/31/263078631.db2.gz OFZKMEFWOWXYQZ-NWDGAFQWSA-N 0 3 263.772 3.215 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)[C@H]1OCCc2sccc21 ZINC000292368692 263131510 /nfs/dbraw/zinc/13/15/10/263131510.db2.gz ISMFKNDTTNIVPG-SMDDNHRTSA-N 0 3 278.421 3.280 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C1 ZINC000340502726 263176728 /nfs/dbraw/zinc/17/67/28/263176728.db2.gz DINFLADIUPOUAU-GXSJLCMTSA-N 0 3 284.281 3.209 20 30 CGEDHN N#CC1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296312531 263189531 /nfs/dbraw/zinc/18/95/31/263189531.db2.gz FHKGROJPAMVVGY-SSDMNJCBSA-N 0 3 270.376 3.299 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000298031794 263213979 /nfs/dbraw/zinc/21/39/79/263213979.db2.gz CFZMDYCARHIFIJ-SUNKGSAMSA-N 0 3 264.394 3.032 20 30 CGEDHN COCc1ccc([C@@H]2CCCN2[C@H](C)CCC#N)o1 ZINC000299241735 263236329 /nfs/dbraw/zinc/23/63/29/263236329.db2.gz JEHMHHCRHZKSEW-OCCSQVGLSA-N 0 3 262.353 3.255 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccccc1SC ZINC000453335520 263240572 /nfs/dbraw/zinc/24/05/72/263240572.db2.gz AHLQHBJYJGEJBY-QWHCGFSZSA-N 0 3 265.422 3.386 20 30 CGEDHN C=C(CC)CN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000341966298 263372082 /nfs/dbraw/zinc/37/20/82/263372082.db2.gz KDXVORIWGWKRDE-CYBMUJFWSA-N 0 3 281.421 3.097 20 30 CGEDHN C=CCOc1ccc(CNCCSC(C)C)cc1OC ZINC000342081276 263385805 /nfs/dbraw/zinc/38/58/05/263385805.db2.gz ZGFONHBZOLYTEM-UHFFFAOYSA-N 0 3 295.448 3.491 20 30 CGEDHN C=CCn1cc(CNCCc2ccc(C(C)(C)C)cc2)nn1 ZINC000425361377 264148028 /nfs/dbraw/zinc/14/80/28/264148028.db2.gz ZDGFEKGIBYPQMK-UHFFFAOYSA-N 0 3 298.434 3.094 20 30 CGEDHN C=CCN1CC[C@H](N[C@H](c2ccccc2)C(C)(C)C)C1=O ZINC000281908118 264499488 /nfs/dbraw/zinc/49/94/88/264499488.db2.gz GIFLWJGVWNWXPB-JKSUJKDBSA-N 0 3 286.419 3.150 20 30 CGEDHN Cc1ccc(C[C@H](CO)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000191593191 270075170 /nfs/dbraw/zinc/07/51/70/270075170.db2.gz BAESJXNHZUHHCG-DNVCBOLYSA-N 0 3 294.398 3.121 20 30 CGEDHN C=CCN(C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000357551004 266321546 /nfs/dbraw/zinc/32/15/46/266321546.db2.gz JKTFUAMQGLNWIJ-AWEZNQCLSA-N 0 3 299.336 3.259 20 30 CGEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000357822898 266372967 /nfs/dbraw/zinc/37/29/67/266372967.db2.gz JVFDGKVJXKPHOI-BXKDBHETSA-N 0 3 250.729 3.067 20 30 CGEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCC2)CN(Cc2ccccc2)C1 ZINC000418141772 267363299 /nfs/dbraw/zinc/36/32/99/267363299.db2.gz LSPKQQIDJPNLKK-SJLPKXTDSA-N 0 3 297.446 3.180 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@@H]2CCN2C2CCCCC2)n1 ZINC000528117351 268028769 /nfs/dbraw/zinc/02/87/69/268028769.db2.gz YOVBVLXANRPNQN-INIZCTEOSA-N 0 3 284.407 3.081 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H](C#N)C1)CO2 ZINC000377082938 268045302 /nfs/dbraw/zinc/04/53/02/268045302.db2.gz MAWZOMNZGSWOMV-KCQAQPDRSA-N 0 3 256.349 3.101 20 30 CGEDHN N#Cc1c(F)cccc1NC[C@H]1CCN1C1CCCC1 ZINC000528212500 268165621 /nfs/dbraw/zinc/16/56/21/268165621.db2.gz YCOKRPZDRBDORF-CYBMUJFWSA-N 0 3 273.355 3.126 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@]3(CC=CCC3)C2)nc1 ZINC000519577615 268219370 /nfs/dbraw/zinc/21/93/70/268219370.db2.gz OFHBFDLYTFDDOP-QGZVFWFLSA-N 0 3 267.376 3.276 20 30 CGEDHN C[C@@H](NC[C@@H]1NCCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446302 274249469 /nfs/dbraw/zinc/24/94/69/274249469.db2.gz ZANBYGHACYENRG-KUHUBIRLSA-N 0 3 291.398 3.096 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1ccccc1-n1cccn1 ZINC000345960205 274512224 /nfs/dbraw/zinc/51/22/24/274512224.db2.gz PIJHBURAFCZDEG-AWEZNQCLSA-N 0 3 282.391 3.463 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)NC1CCCCC1 ZINC000330168009 275909902 /nfs/dbraw/zinc/90/99/02/275909902.db2.gz WEJNNCWMOJTNGX-CVEARBPZSA-N 0 3 296.455 3.459 20 30 CGEDHN CC(C#N)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000336503388 278132770 /nfs/dbraw/zinc/13/27/70/278132770.db2.gz OAVPASUWYUPXIV-MRVPVSSYSA-N 0 3 283.158 3.038 20 30 CGEDHN CC[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(C#N)cc1 ZINC000282523556 280194562 /nfs/dbraw/zinc/19/45/62/280194562.db2.gz UVCBZYBWPVZCSW-IAGOWNOFSA-N 0 3 294.402 3.410 20 30 CGEDHN Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000334531965 280497073 /nfs/dbraw/zinc/49/70/73/280497073.db2.gz YDMKPTVZZNMFDV-KRWDZBQOSA-N 0 3 263.344 3.039 20 30 CGEDHN CC1(C)CCC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331167073 281068321 /nfs/dbraw/zinc/06/83/21/281068321.db2.gz MXZMPTWFWXBKSV-KGLIPLIRSA-N 0 3 271.364 3.303 20 30 CGEDHN C[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1F ZINC000543762474 288819384 /nfs/dbraw/zinc/81/93/84/288819384.db2.gz ZGBBMPWLDDPGCM-UTUOFQBUSA-N 0 3 276.355 3.304 20 30 CGEDHN N#CCC1(CN[C@@H]2CCCNc3ccccc32)CC1 ZINC000348376095 303148540 /nfs/dbraw/zinc/14/85/40/303148540.db2.gz JDNKMJGZPMRWIG-OAHLLOKOSA-N 0 3 255.365 3.217 20 30 CGEDHN CN(C)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185802839 327845352 /nfs/dbraw/zinc/84/53/52/327845352.db2.gz OQULFKAYTQZGIJ-TZMCWYRMSA-N 0 3 275.371 3.064 20 30 CGEDHN C[C@](O)(CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1Cl ZINC000185901062 327850345 /nfs/dbraw/zinc/85/03/45/327850345.db2.gz WKXVGRYCCHLUTQ-ZENOOKHLSA-N 0 3 292.810 3.219 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC(c2ncccc2Cl)CC1 ZINC000365411596 327936102 /nfs/dbraw/zinc/93/61/02/327936102.db2.gz MXBASUOCZITVAJ-CQSZACIVSA-N 0 3 294.826 3.242 20 30 CGEDHN C=CCOc1ccc(CNC2(COC)CC2)cc1Cl ZINC000531701497 328025947 /nfs/dbraw/zinc/02/59/47/328025947.db2.gz GEVROVGFCIZUMR-UHFFFAOYSA-N 0 3 281.783 3.173 20 30 CGEDHN C=CCCCCN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000571256169 328095675 /nfs/dbraw/zinc/09/56/75/328095675.db2.gz MSBSKGVJXFJVAV-ZDUSSCGKSA-N 0 3 260.372 3.004 20 30 CGEDHN CCC1(O)CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000268964501 328187579 /nfs/dbraw/zinc/18/75/79/328187579.db2.gz JQNFAUDTFAWCDT-UHFFFAOYSA-N 0 3 286.419 3.225 20 30 CGEDHN CCOc1ccccc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000274636369 328212210 /nfs/dbraw/zinc/21/22/10/328212210.db2.gz PZTFTWAQCFDEJO-IHRRRGAJSA-N 0 3 258.365 3.428 20 30 CGEDHN CN(CCOc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278604542 328228050 /nfs/dbraw/zinc/22/80/50/328228050.db2.gz MBPIJQGBBXLKAN-TZMCWYRMSA-N 0 3 278.783 3.343 20 30 CGEDHN CC(C)(C#N)CCCCN[C@@H](CO)c1ccc(F)cc1 ZINC000278622879 328228711 /nfs/dbraw/zinc/22/87/11/328228711.db2.gz FYFXZGWJZYJURE-HNNXBMFYSA-N 0 3 278.371 3.169 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000278620843 328228747 /nfs/dbraw/zinc/22/87/47/328228747.db2.gz NFVVETIFSNTXFO-PBHICJAKSA-N 0 3 297.402 3.029 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000282226319 328241696 /nfs/dbraw/zinc/24/16/96/328241696.db2.gz IHLZLTFBRBGHJR-MSQAHXEGSA-N 0 3 290.794 3.452 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000293852973 328278034 /nfs/dbraw/zinc/27/80/34/328278034.db2.gz RJKIWCUWANWNEI-LLVKDONJSA-N 0 3 286.297 3.286 20 30 CGEDHN C=C(C)CCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000282518970 328509199 /nfs/dbraw/zinc/50/91/99/328509199.db2.gz PJYOUFOLYHJJCC-QGZVFWFLSA-N 0 3 282.387 3.145 20 30 CGEDHN C=CCC[C@H](C)N[C@H](c1ccccc1F)[C@H](C)O ZINC000575321801 335093370 /nfs/dbraw/zinc/09/33/70/335093370.db2.gz JWCRDIMPNNULBO-HUBLWGQQSA-N 0 3 251.345 3.192 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H]1C ZINC000584199490 327063272 /nfs/dbraw/zinc/06/32/72/327063272.db2.gz JZVDVYWDLGHVSG-GOEBONIOSA-N 0 3 261.413 3.498 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(OC)cc1F ZINC000090884002 327101496 /nfs/dbraw/zinc/10/14/96/327101496.db2.gz GWXIOTSDPGUMGV-GFCCVEGCSA-N 0 3 267.344 3.078 20 30 CGEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@@H]1C1CC1 ZINC000427576034 327397606 /nfs/dbraw/zinc/39/76/06/327397606.db2.gz ZCVQBGZAKZLENI-DLBZAZTESA-N 0 3 296.414 3.406 20 30 CGEDHN C[C@]1(c2ccccc2)CC[C@H](NCC2(C#N)CC2)C1 ZINC000569884613 327553658 /nfs/dbraw/zinc/55/36/58/327553658.db2.gz SWKXDVGDYYEOHB-HOTGVXAUSA-N 0 3 254.377 3.390 20 30 CGEDHN C[C@H](NCCCC#N)c1cc(Br)cs1 ZINC000279584571 327555504 /nfs/dbraw/zinc/55/55/04/327555504.db2.gz UXEDLFKBWLXYEO-QMMMGPOBSA-N 0 3 273.199 3.465 20 30 CGEDHN N#CC1CCN(CCCCOc2ccccc2)CC1 ZINC000357631273 328873694 /nfs/dbraw/zinc/87/36/94/328873694.db2.gz RXFKCRKWHFPJEJ-UHFFFAOYSA-N 0 3 258.365 3.081 20 30 CGEDHN CC#CCNC(C)(C)c1ccc(Br)cc1 ZINC000308856670 332832150 /nfs/dbraw/zinc/83/21/50/332832150.db2.gz QCZFEMORDHBYQF-UHFFFAOYSA-N 0 3 266.182 3.297 20 30 CGEDHN COc1cccc([C@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000193899788 329062721 /nfs/dbraw/zinc/06/27/21/329062721.db2.gz PVHYAQWMASTRMB-AWEZNQCLSA-N 0 3 296.370 3.448 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)n1C ZINC000177767626 329186721 /nfs/dbraw/zinc/18/67/21/329186721.db2.gz KFGVRQHUFRQYKO-NSHDSACASA-N 0 3 287.388 3.404 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccccc1N(C)C ZINC000180454331 329217205 /nfs/dbraw/zinc/21/72/05/329217205.db2.gz FRHQCMCGXWDNGH-ZDUSSCGKSA-N 0 3 264.438 3.322 20 30 CGEDHN C=C(C)[C@@H](N[C@@H](C)COC)c1ccc(F)c(F)c1 ZINC000186452864 329342720 /nfs/dbraw/zinc/34/27/20/329342720.db2.gz JYSGJUZKYZKOGM-IINYFYTJSA-N 0 3 255.308 3.207 20 30 CGEDHN COc1ccc(OC)c(CN2CCC(CCC#N)CC2)c1 ZINC000399451214 329445551 /nfs/dbraw/zinc/44/55/51/329445551.db2.gz LSYGOAMDMHCRMT-UHFFFAOYSA-N 0 3 288.391 3.220 20 30 CGEDHN C=CC[C@H](C)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418500887 329532892 /nfs/dbraw/zinc/53/28/92/329532892.db2.gz PECRDMWCOYYJNZ-GUYCJALGSA-N 0 3 297.402 3.103 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000274398241 330105772 /nfs/dbraw/zinc/10/57/72/330105772.db2.gz XHAYOAAPEHSZPB-KBAYOESNSA-N 0 3 285.435 3.179 20 30 CGEDHN CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](N)CCCC#N ZINC000424081569 330222160 /nfs/dbraw/zinc/22/21/60/330222160.db2.gz AHAGCAKAPWGSLX-HOTGVXAUSA-N 0 3 287.407 3.007 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000424115647 330243396 /nfs/dbraw/zinc/24/33/96/330243396.db2.gz ASIWJCMGOBSHKK-JFGNBEQYSA-N 0 3 250.292 3.308 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(F)ccc1F ZINC000424118197 330244029 /nfs/dbraw/zinc/24/40/29/330244029.db2.gz BIVRIEVEKFBDPU-ZETOZRRWSA-N 0 3 267.319 3.207 20 30 CGEDHN C=CCn1cc(CN[C@H]2CC[C@H](CCC(C)C)C2)nn1 ZINC000424166380 330309328 /nfs/dbraw/zinc/30/93/28/330309328.db2.gz AXDWOTNVZXDSMO-GJZGRUSLSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000532976708 330323698 /nfs/dbraw/zinc/32/36/98/330323698.db2.gz PEJFXTVWVGCFQC-CQSZACIVSA-N 0 3 274.408 3.474 20 30 CGEDHN C=CCn1cc(CN[C@H](C)CCC2CCCCC2)nn1 ZINC000424294885 330335939 /nfs/dbraw/zinc/33/59/39/330335939.db2.gz LQEGQHGBKIIKRI-CQSZACIVSA-N 0 3 276.428 3.303 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000424318109 330339791 /nfs/dbraw/zinc/33/97/91/330339791.db2.gz CNIVVNKDUSCKHU-SGIREYDYSA-N 0 3 258.340 3.485 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000536891833 330363448 /nfs/dbraw/zinc/36/34/48/330363448.db2.gz XRIGEMTXLCHVPR-UHFFFAOYSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CC1CCN(Cc2cnc3cc(C)ccn23)CC1 ZINC000093359222 330419620 /nfs/dbraw/zinc/41/96/20/330419620.db2.gz ALBALTSDRLZRNU-UHFFFAOYSA-N 0 3 255.365 3.041 20 30 CGEDHN C=CCCCCN[C@H](C[S@](C)=O)c1ccccc1 ZINC000515126989 330471097 /nfs/dbraw/zinc/47/10/97/330471097.db2.gz HXJNAGAZTXFECI-QAPCUYQASA-N 0 3 265.422 3.052 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000442770615 330781857 /nfs/dbraw/zinc/78/18/57/330781857.db2.gz RTHDJHPFDPYCJI-WFASDCNBSA-N 0 3 299.349 3.305 20 30 CGEDHN COc1cc(Cl)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442790402 330783784 /nfs/dbraw/zinc/78/37/84/330783784.db2.gz GGZBLPBORHGAPV-GWCFXTLKSA-N 0 3 264.756 3.130 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000449698883 330944677 /nfs/dbraw/zinc/94/46/77/330944677.db2.gz PQIKRSVUKIPVDQ-VIFPVBQESA-N 0 3 279.327 3.184 20 30 CGEDHN C=C(CC)CNCc1ccc(OC(F)F)c(OC)c1 ZINC000449731549 330945995 /nfs/dbraw/zinc/94/59/95/330945995.db2.gz IZZJTNBCQHZTPE-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN N#CC1(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000450892982 331005213 /nfs/dbraw/zinc/00/52/13/331005213.db2.gz GAJQYDWQNYLDHW-XHSDSOJGSA-N 0 3 276.424 3.086 20 30 CGEDHN COCC1(C#N)CCN(CCc2ccc(Cl)cc2)CC1 ZINC000450931233 331007810 /nfs/dbraw/zinc/00/78/10/331007810.db2.gz OUQZQEYJUXIRNZ-UHFFFAOYSA-N 0 3 292.810 3.135 20 30 CGEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CCC1 ZINC000450980672 331009838 /nfs/dbraw/zinc/00/98/38/331009838.db2.gz NQHOQLJBSAQMRS-FGTMMUONSA-N 0 3 296.414 3.185 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2ccccc2Cl)[C@H]2CCO[C@@H]21 ZINC000451473510 331030859 /nfs/dbraw/zinc/03/08/59/331030859.db2.gz WOHQKSYAUSSAJB-BMFZPTHFSA-N 0 3 289.806 3.095 20 30 CGEDHN C[C@H](NCCCCC#N)c1ncc(-c2ccccc2)n1C ZINC000453116112 331090692 /nfs/dbraw/zinc/09/06/92/331090692.db2.gz XTDMBGPKEFCNAR-AWEZNQCLSA-N 0 3 282.391 3.432 20 30 CGEDHN C=C[C@@H](C)NCc1c(C)nc2scc(C3CC3)n12 ZINC000459451022 331281797 /nfs/dbraw/zinc/28/17/97/331281797.db2.gz VARVBBQHSHZFOO-SECBINFHSA-N 0 3 261.394 3.246 20 30 CGEDHN C=CCC1(NCc2cn3cccnc3n2)CCCCC1 ZINC000459569506 331288499 /nfs/dbraw/zinc/28/84/99/331288499.db2.gz KYXDUIRZDWWVPX-UHFFFAOYSA-N 0 3 270.380 3.098 20 30 CGEDHN C[C@@H](CCCc1cccnc1)NCC1(C#N)CCC1 ZINC000459633447 331291286 /nfs/dbraw/zinc/29/12/86/331291286.db2.gz GWXLROWGACKEDZ-AWEZNQCLSA-N 0 3 257.381 3.076 20 30 CGEDHN CC(C)(CC#N)CNCc1ccc(OC(F)F)c(F)c1 ZINC000459728865 331296281 /nfs/dbraw/zinc/29/62/81/331296281.db2.gz JMEVCSAVPJHBDD-UHFFFAOYSA-N 0 3 286.297 3.457 20 30 CGEDHN CC#CCCCC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000464651924 331364184 /nfs/dbraw/zinc/36/41/84/331364184.db2.gz FQTNXVDYJUZCKN-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN C=CCNC(=O)CN[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000510906096 332920136 /nfs/dbraw/zinc/92/01/36/332920136.db2.gz WDWPRJDZNZEXBE-GOSISDBHSA-N 0 3 288.435 3.399 20 30 CGEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cccc(OC)c1 ZINC000489431332 332051843 /nfs/dbraw/zinc/05/18/43/332051843.db2.gz DXZPVIYOMHBJEP-OAHLLOKOSA-N 0 3 288.391 3.064 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1Cl ZINC000489469055 332054676 /nfs/dbraw/zinc/05/46/76/332054676.db2.gz CPYPHZWAVVGUEB-KGLIPLIRSA-N 0 3 295.810 3.120 20 30 CGEDHN C#C[C@H](N[C@H]1CCO[C@H](C(C)C)C1)c1ccc(F)cc1 ZINC000491229888 332170385 /nfs/dbraw/zinc/17/03/85/332170385.db2.gz JSMYCJRJZWKWRN-ULQDDVLXSA-N 0 3 275.367 3.293 20 30 CGEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000491701980 332296282 /nfs/dbraw/zinc/29/62/82/332296282.db2.gz GRVOEMGEDJJUFL-HUUCEWRRSA-N 0 3 272.392 3.022 20 30 CGEDHN N#CCc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000494491492 332475784 /nfs/dbraw/zinc/47/57/84/332475784.db2.gz JACADZKLLZRPHP-MOPGFXCFSA-N 0 3 292.382 3.372 20 30 CGEDHN C=C(C)COCCNC/C=C\c1ccc(F)c(F)c1 ZINC000512056024 332952358 /nfs/dbraw/zinc/95/23/58/332952358.db2.gz FAOLVBXFHWFKIW-ARJAWSKDSA-N 0 3 267.319 3.160 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)N(CC)C[C@@H](C)CC)CC1 ZINC000178666920 333076545 /nfs/dbraw/zinc/07/65/45/333076545.db2.gz OOGLONGTXVONIC-HNNXBMFYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000185740922 333147839 /nfs/dbraw/zinc/14/78/39/333147839.db2.gz MFPQPBHDMYIMCP-GDBMZVCRSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCOc1ccccc1CNCC[C@H]1CCCCO1 ZINC000227339424 333281128 /nfs/dbraw/zinc/28/11/28/333281128.db2.gz NZOBKJXPLIEMAX-MRXNPFEDSA-N 0 3 275.392 3.300 20 30 CGEDHN CCN(Cc1ccc(C(=O)N[C@](C)(C#N)CC)cc1)C1CC1 ZINC000523071531 333306874 /nfs/dbraw/zinc/30/68/74/333306874.db2.gz QSULRIOZHPYMQU-SFHVURJKSA-N 0 3 299.418 3.093 20 30 CGEDHN CC[C@H](CC#N)NC[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000230944034 333322946 /nfs/dbraw/zinc/32/29/46/333322946.db2.gz WZKSQXLHEJGRHN-UONOGXRCSA-N 0 3 297.443 3.065 20 30 CGEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(C)C#N ZINC000524768008 333387610 /nfs/dbraw/zinc/38/76/10/333387610.db2.gz AUVYGBFNQDAYOO-NUEKZKHPSA-N 0 3 270.376 3.331 20 30 CGEDHN C=C(C)COCCNCc1ccc(OC)c(Cl)c1 ZINC000125783074 333573211 /nfs/dbraw/zinc/57/32/11/333573211.db2.gz DSCYCOMQKDGEEO-UHFFFAOYSA-N 0 3 269.772 3.031 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000539117886 333659016 /nfs/dbraw/zinc/65/90/16/333659016.db2.gz SZBWWPAOVKAPMJ-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C(C)COCCN[C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000540155803 333714704 /nfs/dbraw/zinc/71/47/04/333714704.db2.gz CJLGICKIVWSYKA-WBMJQRKESA-N 0 3 263.356 3.241 20 30 CGEDHN C[C@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000542578295 333833108 /nfs/dbraw/zinc/83/31/08/333833108.db2.gz JKGHUWUAZMFZKS-DZGCQCFKSA-N 0 3 277.795 3.096 20 30 CGEDHN C=CCCCCN[C@@H](COC)c1ccc(CC)o1 ZINC000564288978 333977463 /nfs/dbraw/zinc/97/74/63/333977463.db2.gz AEXVHCQDOCSMSZ-AWEZNQCLSA-N 0 3 251.370 3.475 20 30 CGEDHN C=CCN(CCCSCC#N)Cc1cccs1 ZINC000074980761 334021508 /nfs/dbraw/zinc/02/15/08/334021508.db2.gz TZRUETXOHIXDGW-UHFFFAOYSA-N 0 3 266.435 3.383 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000155020346 334710874 /nfs/dbraw/zinc/71/08/74/334710874.db2.gz XLUXARKHTAMOKO-UHFFFAOYSA-N 0 3 290.451 3.232 20 30 CGEDHN C[C@@H](NCCOCCC#N)c1ccc(Br)cc1 ZINC000293813449 334892338 /nfs/dbraw/zinc/89/23/38/334892338.db2.gz OHLSIGIDOMIFMW-LLVKDONJSA-N 0 3 297.196 3.030 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000177702214 335379986 /nfs/dbraw/zinc/37/99/86/335379986.db2.gz IVVZPMNNIJGZTN-OAHLLOKOSA-N 0 3 297.427 3.378 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cncc(Br)c1 ZINC000581260293 336033870 /nfs/dbraw/zinc/03/38/70/336033870.db2.gz GIVWDZJTWFVDTR-JTQLQIEISA-N 0 3 294.196 3.189 20 30 CGEDHN CC(C(=O)N(CCC#N)c1ccc(F)cc1)C(F)(F)F ZINC000581877490 336156885 /nfs/dbraw/zinc/15/68/85/336156885.db2.gz WQGMAAITJWADBW-SECBINFHSA-N 0 3 288.244 3.271 20 30 CGEDHN COc1cc(Cl)cc(C(=O)C(C#N)c2ccccn2)c1 ZINC000344751990 533954119 /nfs/dbraw/zinc/95/41/19/533954119.db2.gz WUEFAZOGFVJVHD-ZDUSSCGKSA-N 0 3 286.718 3.234 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000352244091 534284239 /nfs/dbraw/zinc/28/42/39/534284239.db2.gz MLVMZDRELIZTTF-IAQYHMDHSA-N 0 3 299.761 3.100 20 30 CGEDHN C#CCOc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 ZINC000183713842 518324511 /nfs/dbraw/zinc/32/45/11/518324511.db2.gz AOSVFMBPDZDOAD-HNNXBMFYSA-N 0 3 280.371 3.287 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(SC(F)F)cc1 ZINC000184284386 519105522 /nfs/dbraw/zinc/10/55/22/519105522.db2.gz GWGQCGDXWCACMQ-NSHDSACASA-N 0 3 273.348 3.028 20 30 CGEDHN N#CCCCNCc1ccccc1OCc1ccncc1 ZINC000344359714 534613941 /nfs/dbraw/zinc/61/39/41/534613941.db2.gz QCNLWFMTCBFGQN-UHFFFAOYSA-N 0 3 281.359 3.054 20 30 CGEDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C#N)cc1 ZINC000037652425 525530357 /nfs/dbraw/zinc/53/03/57/525530357.db2.gz BTOVTTOTHJFLOJ-CYBMUJFWSA-N 0 3 278.355 3.344 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000353619727 526657966 /nfs/dbraw/zinc/65/79/66/526657966.db2.gz IKDNBHUPADDORX-CQSZACIVSA-N 0 3 293.407 3.256 20 30 CGEDHN C=CCNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000107898785 526663971 /nfs/dbraw/zinc/66/39/71/526663971.db2.gz MQKWSSSYMDMJLD-UHFFFAOYSA-N 0 3 251.757 3.121 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000353880652 526889543 /nfs/dbraw/zinc/88/95/43/526889543.db2.gz JVQABWXEHJQOJI-HUUCEWRRSA-N 0 3 256.349 3.033 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C)CC[C@H]2C)CCCCC1 ZINC000334749044 527042929 /nfs/dbraw/zinc/04/29/29/527042929.db2.gz GVQODOKDIPDBEC-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000344461424 527296340 /nfs/dbraw/zinc/29/63/40/527296340.db2.gz MUROOBAFXQVRIX-UONOGXRCSA-N 0 3 285.395 3.058 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C[S@](C)=O)c1ccccc1 ZINC000347684693 527298128 /nfs/dbraw/zinc/29/81/28/527298128.db2.gz PDQRGYCRBMRXHS-GMBSWORKSA-N 0 3 279.449 3.441 20 30 CGEDHN C=C[C@@H](CO)N[C@H](CCC)c1ccc(Cl)cc1 ZINC000353572547 527443974 /nfs/dbraw/zinc/44/39/74/527443974.db2.gz SJVOFABEWCIGJZ-UONOGXRCSA-N 0 3 253.773 3.318 20 30 CGEDHN C=CCC[C@@H](NCCN(CC)CC)c1ccco1 ZINC000356053187 527447928 /nfs/dbraw/zinc/44/79/28/527447928.db2.gz BYFXYLSUKUGHAC-CQSZACIVSA-N 0 3 250.386 3.218 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000334708637 527605990 /nfs/dbraw/zinc/60/59/90/527605990.db2.gz LDSARANZDCNBQZ-HNNXBMFYSA-N 0 3 268.360 3.481 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1c(C)cccc1C ZINC000355033391 527616095 /nfs/dbraw/zinc/61/60/95/527616095.db2.gz DNQUOVQJEZQMNH-INIZCTEOSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1c(C)cccc1C ZINC000355033392 527616538 /nfs/dbraw/zinc/61/65/38/527616538.db2.gz DNQUOVQJEZQMNH-MRXNPFEDSA-N 0 3 286.419 3.155 20 30 CGEDHN CC(C)CCN(CCC#N)C[C@@H]1CCO[C@H](C)C1 ZINC000352716823 527715709 /nfs/dbraw/zinc/71/57/09/527715709.db2.gz HLGNVLUKTMVAPX-HUUCEWRRSA-N 0 3 252.402 3.063 20 30 CGEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439467169 527932129 /nfs/dbraw/zinc/93/21/29/527932129.db2.gz YHZMPGCMVZNBPC-CHWSQXEVSA-N 0 3 291.826 3.126 20 30 CGEDHN CCC(CC)CN(CCC#N)C[C@H]1CCO[C@@H](C)C1 ZINC000352721407 528749503 /nfs/dbraw/zinc/74/95/03/528749503.db2.gz MEOSZFFOBDLINI-HOCLYGCPSA-N 0 3 266.429 3.453 20 30 CGEDHN CO[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000361744560 536591137 /nfs/dbraw/zinc/59/11/37/536591137.db2.gz GEZGEPKWIWIDEG-LSDHHAIUSA-N 0 3 278.783 3.259 20 30 CGEDHN CC(C)C(CCc1ccc(Cl)cc1)=Nn1cnnc1 ZINC000748245938 572970289 /nfs/dbraw/zinc/97/02/89/572970289.db2.gz GUHDIRDRJVPCKU-UHFFFAOYSA-N 0 3 276.771 3.424 20 30 CGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccccc2)CC1 ZINC000729942333 571938419 /nfs/dbraw/zinc/93/84/19/571938419.db2.gz KHULPYOHIQIFBZ-UHFFFAOYSA-N 0 3 289.448 3.014 20 30 CGEDHN CC(C#N)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740127969 572433235 /nfs/dbraw/zinc/43/32/35/572433235.db2.gz HSYSCWZWVOGZLW-LLVKDONJSA-N 0 3 295.367 3.063 20 30 CGEDHN C=CCCC[C@H](C)NCc1nn(C)c2ccccc12 ZINC000398156753 572497862 /nfs/dbraw/zinc/49/78/62/572497862.db2.gz GSJQTGZYYQLYQW-ZDUSSCGKSA-N 0 3 257.381 3.408 20 30 CGEDHN C#CCCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000733324531 572555044 /nfs/dbraw/zinc/55/50/44/572555044.db2.gz IMCHBBQFUQUQSV-UHFFFAOYSA-N 0 3 290.366 3.250 20 30 CGEDHN C#Cc1cccc(N(CC)C(=O)[C@@H](C)N2CCCCCC2)c1 ZINC000733932420 572615525 /nfs/dbraw/zinc/61/55/25/572615525.db2.gz QQRQJXCKAHXMEA-MRXNPFEDSA-N 0 3 298.430 3.285 20 30 CGEDHN CCCCCC[C@@H](C)NN=C1CCN(C)[C@H](C)C1 ZINC000743450553 572663118 /nfs/dbraw/zinc/66/31/18/572663118.db2.gz MCEFGKKKGMRWRS-ZIAGYGMSSA-N 0 3 253.434 3.405 20 30 CGEDHN C[C@@H]1CC(N=Nc2ccc(C(F)(F)F)cc2)CN1C ZINC000746575684 572881270 /nfs/dbraw/zinc/88/12/70/572881270.db2.gz GNYLFMHOYYKWOK-SECBINFHSA-N 0 3 271.286 3.197 20 30 CGEDHN COc1ccc(CNCc2ccc(C)c(C)c2)cc1C#N ZINC000746743440 572893800 /nfs/dbraw/zinc/89/38/00/572893800.db2.gz XPVDBRBIGNCROF-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN N#CC(C(=O)[C@H]1CC12CCCC2)c1nc2ccccc2[nH]1 ZINC000747479239 572931375 /nfs/dbraw/zinc/93/13/75/572931375.db2.gz JKIWSSXFSVAHPO-VXGBXAGGSA-N 0 3 279.343 3.319 20 30 CGEDHN C[NH+](C)[C@@H]1CCC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000749844377 573045721 /nfs/dbraw/zinc/04/57/21/573045721.db2.gz IVYPIEZSMZTCHF-OPABCWLPSA-N 0 3 280.799 3.337 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964770927 613323949 /nfs/dbraw/zinc/32/39/49/613323949.db2.gz JNLKWWVQYOIWFE-WBVHZDCISA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C)CCC1 ZINC000960291955 613350446 /nfs/dbraw/zinc/35/04/46/613350446.db2.gz UBJXBZYPNQUOBG-IAGOWNOFSA-N 0 3 298.430 3.125 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)CC)CC2)C1 ZINC000961300637 613374145 /nfs/dbraw/zinc/37/41/45/613374145.db2.gz SXRIURLYTBYVSM-OAHLLOKOSA-N 0 3 298.858 3.100 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC=C(C)C)CC[C@H]2C)C1 ZINC000968276153 613399101 /nfs/dbraw/zinc/39/91/01/613399101.db2.gz VDQYGIDAAUVAJS-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000972727110 613637556 /nfs/dbraw/zinc/63/75/56/613637556.db2.gz AKYPYQDWFAYJNA-SFHVURJKSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000982130114 613682000 /nfs/dbraw/zinc/68/20/00/613682000.db2.gz BIBYSKMNKGRADU-UHFFFAOYSA-N 0 3 298.430 3.027 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC000968914132 613684587 /nfs/dbraw/zinc/68/45/87/613684587.db2.gz OSDIHTBNSGZSSL-CQSZACIVSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(CC)s2)C[C@H]1C ZINC000947516746 613752773 /nfs/dbraw/zinc/75/27/73/613752773.db2.gz WYDZDEJCLWDFRD-CHWSQXEVSA-N 0 3 292.448 3.079 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@H](C)C1 ZINC000945332704 613756712 /nfs/dbraw/zinc/75/67/12/613756712.db2.gz FVMRBIMTBANUES-UKRRQHHQSA-N 0 3 290.407 3.029 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2Cl)C[C@H]1C ZINC000947779392 613794707 /nfs/dbraw/zinc/79/47/07/613794707.db2.gz OZOAPZVOADQNPR-MNOVXSKESA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2sc(C)cc2C)C[C@H]1C ZINC000947352523 613802058 /nfs/dbraw/zinc/80/20/58/613802058.db2.gz MEGDEUGEEYKMFT-OCCSQVGLSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CC2CCCCCC2)C(C)(C)C1 ZINC000975089376 613806353 /nfs/dbraw/zinc/80/63/53/613806353.db2.gz DPEAOXORIWTMEM-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C#CCC1(NCC(=O)Nc2sc(C)c(C)c2C)CCC1 ZINC000933299385 618195400 /nfs/dbraw/zinc/19/54/00/618195400.db2.gz UHQJUJWZNSGIHM-UHFFFAOYSA-N 0 3 290.432 3.147 20 30 CGEDHN C=C(C)[C@H](CO)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933818311 618336059 /nfs/dbraw/zinc/33/60/59/618336059.db2.gz HOGJKHZNAVUNKM-SFHVURJKSA-N 0 3 282.387 3.194 20 30 CGEDHN C#CCCNC(C)(C)c1ccccc1Br ZINC000308841482 618476733 /nfs/dbraw/zinc/47/67/33/618476733.db2.gz KHWMEVVPWUBUAC-UHFFFAOYSA-N 0 3 266.182 3.297 20 30 CGEDHN CCCO[C@H]1CCCN(Cc2csc(C#N)c2)CC1 ZINC000892008813 618485965 /nfs/dbraw/zinc/48/59/65/618485965.db2.gz WTGDQZBSLKHDRZ-AWEZNQCLSA-N 0 3 278.421 3.401 20 30 CGEDHN C=CC[C@@H]1CCN1Cc1cnc2c(cnn2C(C)C)c1 ZINC000934468518 618626640 /nfs/dbraw/zinc/62/66/40/618626640.db2.gz FXURZDFYMXPBTP-OAHLLOKOSA-N 0 3 270.380 3.163 20 30 CGEDHN C=CCN1CCC(Nc2ccc(-c3ccncc3)cn2)CC1 ZINC000892396021 618756273 /nfs/dbraw/zinc/75/62/73/618756273.db2.gz AYOGZRBUBRLZBY-UHFFFAOYSA-N 0 3 294.402 3.206 20 30 CGEDHN C=C(CNCc1cnn(C)c1C1CC1)c1ccccc1 ZINC000892710836 618918903 /nfs/dbraw/zinc/91/89/03/618918903.db2.gz DNLMBUVLIJCXHM-UHFFFAOYSA-N 0 3 267.376 3.101 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000119321944 618976808 /nfs/dbraw/zinc/97/68/08/618976808.db2.gz MKZOUXRVRSFICL-OLZOCXBDSA-N 0 3 294.826 3.402 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001020188190 618978197 /nfs/dbraw/zinc/97/81/97/618978197.db2.gz XIDZJEIBBWITED-RBSFLKMASA-N 0 3 296.842 3.112 20 30 CGEDHN CCCCCCCN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181774201 619028742 /nfs/dbraw/zinc/02/87/42/619028742.db2.gz YERCUXWTLAWXKP-MRXNPFEDSA-N 0 3 297.464 3.332 20 30 CGEDHN C#C[C@H](N[C@H](C)c1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000775573736 619077934 /nfs/dbraw/zinc/07/79/34/619077934.db2.gz JJGAJHSKSUSTTJ-PVAVHDDUSA-N 0 3 257.377 3.135 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2cncc(C)c2)cc1 ZINC000181843362 619219485 /nfs/dbraw/zinc/21/94/85/619219485.db2.gz MPAOPAGKRWPLGB-HNNXBMFYSA-N 0 3 280.371 3.253 20 30 CGEDHN CCC#C[C@@H](C)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931920638 619275520 /nfs/dbraw/zinc/27/55/20/619275520.db2.gz ZTHJVNGKJDWBCO-MNOVXSKESA-N 0 3 263.278 3.155 20 30 CGEDHN C=C(C)[C@H](N[C@H](C)COCCOC)c1ccc(F)c(F)c1 ZINC000893667821 619275882 /nfs/dbraw/zinc/27/58/82/619275882.db2.gz HDMSGCKNNGUFJS-WBMJQRKESA-N 0 3 299.361 3.223 20 30 CGEDHN CS[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000178882872 619426109 /nfs/dbraw/zinc/42/61/09/619426109.db2.gz NHOYAQFTGIKQGB-NXEZZACHSA-N 0 3 274.345 3.146 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)cs1 ZINC000894485015 619550667 /nfs/dbraw/zinc/55/06/67/619550667.db2.gz JQLLLCFGNOXTIO-UONOGXRCSA-N 0 3 290.432 3.258 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@@H](C)c1nnc(C)[nH]1 ZINC000894774535 619627822 /nfs/dbraw/zinc/62/78/22/619627822.db2.gz UOXZLIBYTUHHDQ-NEPJUHHUSA-N 0 3 250.390 3.289 20 30 CGEDHN CC(C)N(C)c1ccc(C=NNCC2CCCC2)cn1 ZINC000808005244 619667728 /nfs/dbraw/zinc/66/77/28/619667728.db2.gz ARHGGWZMLKDZSQ-UHFFFAOYSA-N 0 3 274.412 3.040 20 30 CGEDHN C=CCCCCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000895209486 619781366 /nfs/dbraw/zinc/78/13/66/619781366.db2.gz WLLMUGLAKXJMBH-UHFFFAOYSA-N 0 3 294.351 3.145 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cs1 ZINC000895403971 619823469 /nfs/dbraw/zinc/82/34/69/619823469.db2.gz HWOPFFMBJMGNCR-ZBFHGGJFSA-N 0 3 290.432 3.401 20 30 CGEDHN C=CCc1cc(CN2CCC[C@@H](CF)C2)cc(OC)c1O ZINC000895545093 619847271 /nfs/dbraw/zinc/84/72/71/619847271.db2.gz BEZJBMKTSPGDJL-ZDUSSCGKSA-N 0 3 293.382 3.311 20 30 CGEDHN N#Cc1cnc(Cl)c(CNC[C@@]23C[C@@H]2CCCC3)c1 ZINC000896267745 619983700 /nfs/dbraw/zinc/98/37/00/619983700.db2.gz KGUQCSNMINTQNG-DZGCQCFKSA-N 0 3 275.783 3.277 20 30 CGEDHN C=CCN1CCC(NC(=O)CCCSC(C)(C)C)CC1 ZINC000179248161 620374280 /nfs/dbraw/zinc/37/42/80/620374280.db2.gz PLKRCQKHAINRFE-UHFFFAOYSA-N 0 3 298.496 3.065 20 30 CGEDHN O=C1C=COC2(CCN(Cc3cccc(C4CC4)c3)CC2)C1 ZINC000897599113 620406830 /nfs/dbraw/zinc/40/68/30/620406830.db2.gz BEWOUPBIPSNLEI-UHFFFAOYSA-N 0 3 297.398 3.402 20 30 CGEDHN CC[C@H]1CCC[C@@H](CNCc2nc(C#N)cs2)C1 ZINC000897628170 620413991 /nfs/dbraw/zinc/41/39/91/620413991.db2.gz DLDXKXPQBOYXIM-NWDGAFQWSA-N 0 3 263.410 3.321 20 30 CGEDHN CC[C@H]1CCC[C@H](NCc2nc(C#N)cs2)CC1 ZINC000897630435 620414301 /nfs/dbraw/zinc/41/43/01/620414301.db2.gz YPDKPUOWDZAVRS-RYUDHWBXSA-N 0 3 263.410 3.463 20 30 CGEDHN CC(=O)Nc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000924665907 620558416 /nfs/dbraw/zinc/55/84/16/620558416.db2.gz PZJBFJAPMDERNI-GFCCVEGCSA-N 0 3 273.380 3.063 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1cccc(N2CCCC2=O)c1 ZINC000924665833 620558546 /nfs/dbraw/zinc/55/85/46/620558546.db2.gz VMLGRARGOVJNFC-CQSZACIVSA-N 0 3 299.418 3.231 20 30 CGEDHN CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000901312225 620854778 /nfs/dbraw/zinc/85/47/78/620854778.db2.gz WHTIDKMKSWFTRD-CHWSQXEVSA-N 0 3 289.423 3.022 20 30 CGEDHN CC[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1cccc(C#N)c1 ZINC000902838624 621469860 /nfs/dbraw/zinc/46/98/60/621469860.db2.gz GWYCDPMHIILMON-OTWHNJEPSA-N 0 3 292.382 3.257 20 30 CGEDHN Cc1cccc(OCCCN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902850924 621472697 /nfs/dbraw/zinc/47/26/97/621472697.db2.gz XRPKBANXPLROJK-HNNXBMFYSA-N 0 3 295.386 3.381 20 30 CGEDHN CO[C@@](C)(CN[C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000903008244 621531119 /nfs/dbraw/zinc/53/11/19/621531119.db2.gz MUWRTAVZQUBQNZ-KSSFIOAISA-N 0 3 295.386 3.166 20 30 CGEDHN CC[C@@H](NCC1(C#N)CCC1)c1ccc(C)cc1O ZINC000903033487 621536220 /nfs/dbraw/zinc/53/62/20/621536220.db2.gz VILORISKSRNPGQ-CQSZACIVSA-N 0 3 258.365 3.435 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccco1 ZINC000903264220 621649082 /nfs/dbraw/zinc/64/90/82/621649082.db2.gz FUAQYSBYIYNHLO-FMKPAKJESA-N 0 3 261.365 3.444 20 30 CGEDHN CCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000905083172 622033091 /nfs/dbraw/zinc/03/30/91/622033091.db2.gz CBLVIVNNBABXDV-CDCQXCROSA-N 0 3 297.358 3.216 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000912171086 622616078 /nfs/dbraw/zinc/61/60/78/622616078.db2.gz LWYWMAIIDQTXEY-IAGOWNOFSA-N 0 3 286.419 3.246 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000912322866 622634597 /nfs/dbraw/zinc/63/45/97/622634597.db2.gz ZYXZGFSTQIZCLL-JTQLQIEISA-N 0 3 291.376 3.025 20 30 CGEDHN C=CCCOCCNCc1cc2cccc(OC)c2o1 ZINC000229880431 623172472 /nfs/dbraw/zinc/17/24/72/623172472.db2.gz CHGALICXHTUQPI-UHFFFAOYSA-N 0 3 275.348 3.124 20 30 CGEDHN C=CCN1CCC(NC(=O)C[C@H](C)CCCCC)CC1 ZINC000173101591 623308322 /nfs/dbraw/zinc/30/83/22/623308322.db2.gz LGQZPOXEGMCIKX-OAHLLOKOSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCC3(C)C)CCC[C@@H]12 ZINC000992120951 623440008 /nfs/dbraw/zinc/44/00/08/623440008.db2.gz VJNDZNBMUFDBLB-HDMKZQKVSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)ccc3C)CCC[C@H]12 ZINC000992453053 623568824 /nfs/dbraw/zinc/56/88/24/623568824.db2.gz DPMCMMJFXGBRDG-HKUYNNGSSA-N 0 3 298.430 3.216 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992982096 623770927 /nfs/dbraw/zinc/77/09/27/623770927.db2.gz MGJUFYUWDLNBEX-KGLIPLIRSA-N 0 3 292.448 3.215 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993036734 623799976 /nfs/dbraw/zinc/79/99/76/623799976.db2.gz LTYRHVVYXZASRE-VXGBXAGGSA-N 0 3 296.798 3.092 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccoc2C)cc1 ZINC000916908573 624222211 /nfs/dbraw/zinc/22/22/11/624222211.db2.gz BCDLPDYHAGKUSG-OAHLLOKOSA-N 0 3 296.326 3.112 20 30 CGEDHN C=CCN(Cc1cc(=O)oc2cc(OC)ccc12)C(C)C ZINC000917166726 624248660 /nfs/dbraw/zinc/24/86/60/624248660.db2.gz CKOHWLJFNGLMLD-UHFFFAOYSA-N 0 3 287.359 3.198 20 30 CGEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCC=CCC1 ZINC000873497432 634391372 /nfs/dbraw/zinc/39/13/72/634391372.db2.gz KNHYXQMBLVNYBF-OAHLLOKOSA-N 0 3 290.407 3.138 20 30 CGEDHN C#CCN(Cc1ccc(CO)cc1)[C@H]1CCc2ccccc21 ZINC000182687266 625025236 /nfs/dbraw/zinc/02/52/36/625025236.db2.gz STIBKSOGYYUHOR-FQEVSTJZSA-N 0 3 291.394 3.302 20 30 CGEDHN COc1ccc(O)c([C@@H](C)NCc2csc(C#N)c2)c1 ZINC000922217483 625985151 /nfs/dbraw/zinc/98/51/51/625985151.db2.gz RBOUSRJFASWKDY-SNVBAGLBSA-N 0 3 288.372 3.185 20 30 CGEDHN C=CCCSCCNCc1ccnn1C1CCC1 ZINC000922239004 625988075 /nfs/dbraw/zinc/98/80/75/625988075.db2.gz MGVOVJNPTIMHQP-UHFFFAOYSA-N 0 3 265.426 3.007 20 30 CGEDHN Cc1ccc(CNCc2cccc3c2CCOC3)cc1C#N ZINC000922759221 626043314 /nfs/dbraw/zinc/04/33/14/626043314.db2.gz FPKHFHONXPSZDU-UHFFFAOYSA-N 0 3 292.382 3.229 20 30 CGEDHN COc1ccc(CNCc2ccc(C)c(C#N)c2)cc1OC ZINC000922760423 626043796 /nfs/dbraw/zinc/04/37/96/626043796.db2.gz AHGJITGPZHPUQY-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C#CCC1(NCc2cc(C)cc(OC)c2OC)CCC1 ZINC000923000062 626116785 /nfs/dbraw/zinc/11/67/85/626116785.db2.gz XMYOYMUAPFKCAO-UHFFFAOYSA-N 0 3 273.376 3.048 20 30 CGEDHN C=Cc1ccc(C(=O)N(C)C2CCN(CC(=C)C)CC2)cc1 ZINC001006039138 626144268 /nfs/dbraw/zinc/14/42/68/626144268.db2.gz NXQUCTURTSMQDN-UHFFFAOYSA-N 0 3 298.430 3.442 20 30 CGEDHN c1ccc(C(CC2CC2)=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753937082 626469360 /nfs/dbraw/zinc/46/93/60/626469360.db2.gz CAJUGWJTBRFBMJ-IYBDPMFKSA-N 0 3 296.418 3.051 20 30 CGEDHN C[C@H]1CC(N=Nc2ccc(OC(F)F)cc2)CN1C1CC1 ZINC000753960396 626470174 /nfs/dbraw/zinc/47/01/74/626470174.db2.gz QXBCNQSHBCNGTO-JTQLQIEISA-N 0 3 295.333 3.313 20 30 CGEDHN COCC#CCN[C@H](C)c1csc2ccccc21 ZINC000754737011 626585565 /nfs/dbraw/zinc/58/55/65/626585565.db2.gz MATYRPGHPPCULK-GFCCVEGCSA-N 0 3 259.374 3.202 20 30 CGEDHN Cc1ccc(F)c(N=NC2CN(C3CC3)C[C@H]2C)c1 ZINC000759664759 626912927 /nfs/dbraw/zinc/91/29/27/626912927.db2.gz MPCAFQSJUTZCSQ-LLVKDONJSA-N 0 3 261.344 3.016 20 30 CGEDHN Cc1c(Cl)cccc1N=NC1C[C@@H](C)N(C)C1 ZINC000761806055 627061533 /nfs/dbraw/zinc/06/15/33/627061533.db2.gz QJLJZGXYIYLBMY-SECBINFHSA-N 0 3 251.761 3.140 20 30 CGEDHN C#CCN(Cc1cc(C)c2ncccc2c1)C1CC1 ZINC000764680906 627218335 /nfs/dbraw/zinc/21/83/35/627218335.db2.gz CQIGPPAZRVMALJ-UHFFFAOYSA-N 0 3 250.345 3.141 20 30 CGEDHN C[C@H]1CN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC[C@@H]1C ZINC000766376308 627324135 /nfs/dbraw/zinc/32/41/35/627324135.db2.gz YQZMPCQVTCGXFX-GJZGRUSLSA-N 0 3 294.402 3.357 20 30 CGEDHN C#CCN(Cc1c[nH]nc1C(C)(C)C)C1CCCCC1 ZINC000769146448 627526152 /nfs/dbraw/zinc/52/61/52/627526152.db2.gz ZJBFZSZWSYOJBK-UHFFFAOYSA-N 0 3 273.424 3.475 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000773106001 627857111 /nfs/dbraw/zinc/85/71/11/627857111.db2.gz JFWAZWDFCYEACN-OAHLLOKOSA-N 0 3 299.418 3.424 20 30 CGEDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1C#N ZINC000775131879 628066116 /nfs/dbraw/zinc/06/61/16/628066116.db2.gz YKPFXYGWNMLWJX-GFCCVEGCSA-N 0 3 282.343 3.123 20 30 CGEDHN N#CCC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000775554338 628106633 /nfs/dbraw/zinc/10/66/33/628106633.db2.gz WZKVJLZETVXHDT-QZTJIDSGSA-N 0 3 298.361 3.494 20 30 CGEDHN C#C[C@H](N[C@@H](CCC)c1ccccc1)[C@@H]1CCCO1 ZINC000775572059 628109098 /nfs/dbraw/zinc/10/90/98/628109098.db2.gz OKVQKAXVYHQWPN-ULQDDVLXSA-N 0 3 257.377 3.298 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000775573794 628109584 /nfs/dbraw/zinc/10/95/84/628109584.db2.gz KHMUXNGZOAHYGU-BHYGNILZSA-N 0 3 257.377 3.135 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cc(C)ccc1C)[C@H]1CCCO1 ZINC000775574468 628109956 /nfs/dbraw/zinc/10/99/56/628109956.db2.gz PNBJPFPMCIQLIS-BHYGNILZSA-N 0 3 257.377 3.135 20 30 CGEDHN C#CCCCCCC(=O)N(CCN(C)C)c1ccccc1 ZINC000779883572 628439690 /nfs/dbraw/zinc/43/96/90/628439690.db2.gz RKEALPKEAMDQPN-UHFFFAOYSA-N 0 3 286.419 3.165 20 30 CGEDHN C[C@@H](NC[C@H]1CSCCS1)c1ccc(C#N)cc1F ZINC000781424233 628559616 /nfs/dbraw/zinc/55/96/16/628559616.db2.gz VZLGMXFZCUTGBJ-PWSUYJOCSA-N 0 3 296.436 3.197 20 30 CGEDHN CN(C)c1ccc(C=NN[C@@H]2CCCC2(C)C)cc1 ZINC000782287756 628634343 /nfs/dbraw/zinc/63/43/43/628634343.db2.gz OGSGZOVBVIBBAZ-OAHLLOKOSA-N 0 3 259.397 3.255 20 30 CGEDHN C#CCN(Cc1ccc(F)nc1C)C1CCCCC1 ZINC000787132103 628993710 /nfs/dbraw/zinc/99/37/10/628993710.db2.gz HTYHDALAHLEDOD-UHFFFAOYSA-N 0 3 260.356 3.297 20 30 CGEDHN CC(C)N(C)c1ccc(C=NNCCC(C)(C)C)cn1 ZINC000790174761 629189119 /nfs/dbraw/zinc/18/91/19/629189119.db2.gz WHOJDOIDGLCTIB-UHFFFAOYSA-N 0 3 276.428 3.286 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H](C)c2ccc(C)cc2)n1 ZINC000862351444 629347265 /nfs/dbraw/zinc/34/72/65/629347265.db2.gz LAOAKBOSKRMCLA-QGZVFWFLSA-N 0 3 295.430 3.450 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC000862443131 629375960 /nfs/dbraw/zinc/37/59/60/629375960.db2.gz LBDCXCGVLFCXFS-LBPRGKRZSA-N 0 3 278.193 3.294 20 30 CGEDHN C#CCN(CCC(C)(C)C(=O)OC)[C@@H]1CCc2ccccc21 ZINC000792761207 629379508 /nfs/dbraw/zinc/37/95/08/629379508.db2.gz JZHARAKMINMIBM-QGZVFWFLSA-N 0 3 299.414 3.198 20 30 CGEDHN CCCCCCC[C@H](C)NCc1ncnn1CC ZINC000793345525 629445953 /nfs/dbraw/zinc/44/59/53/629445953.db2.gz CZYUNKSVLPOELU-ZDUSSCGKSA-N 0 3 252.406 3.137 20 30 CGEDHN Cc1cc(NN=C2C[C@@H](C)c3ccccc32)ccn1 ZINC000863159480 629486039 /nfs/dbraw/zinc/48/60/39/629486039.db2.gz SZHDMHIZUDGJMT-LLVKDONJSA-N 0 3 251.333 3.135 20 30 CGEDHN CCc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000795795589 629716284 /nfs/dbraw/zinc/71/62/84/629716284.db2.gz OBOSWQKJVZJMSY-SFHVURJKSA-N 0 3 294.402 3.401 20 30 CGEDHN CCc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)[nH]n1 ZINC000795795589 629716290 /nfs/dbraw/zinc/71/62/90/629716290.db2.gz OBOSWQKJVZJMSY-SFHVURJKSA-N 0 3 294.402 3.401 20 30 CGEDHN C#CCOc1ccccc1CN1CCC(C)=C(C)C1 ZINC000796017256 629735691 /nfs/dbraw/zinc/73/56/91/629735691.db2.gz HLQDUAGUSRUYJR-UHFFFAOYSA-N 0 3 255.361 3.241 20 30 CGEDHN C#C[C@H](N[C@@H](CC)c1cccc(C)c1)[C@H]1CCCO1 ZINC000796948351 629864063 /nfs/dbraw/zinc/86/40/63/629864063.db2.gz KODINKFMFNXPSG-YESZJQIVSA-N 0 3 257.377 3.217 20 30 CGEDHN COc1cccc2cc(CNCC3(CC#N)CC3)oc21 ZINC000797468132 629950234 /nfs/dbraw/zinc/95/02/34/629950234.db2.gz CQFONUMPIVAAQQ-UHFFFAOYSA-N 0 3 270.332 3.225 20 30 CGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(C#N)[nH]2)s1 ZINC000797567469 629961182 /nfs/dbraw/zinc/96/11/82/629961182.db2.gz IQNORIVRIXGQCU-SNVBAGLBSA-N 0 3 298.371 3.130 20 30 CGEDHN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)c1ccccn1 ZINC000797943888 630005217 /nfs/dbraw/zinc/00/52/17/630005217.db2.gz XKJRLEFJPYACQS-GHMZBOCLSA-N 0 3 264.275 3.083 20 30 CGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccoc1C1CC1 ZINC000798816778 630099615 /nfs/dbraw/zinc/09/96/15/630099615.db2.gz OVMCTLBAFONCKC-CQSZACIVSA-N 0 3 294.310 3.118 20 30 CGEDHN C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808710239 630296707 /nfs/dbraw/zinc/29/67/07/630296707.db2.gz NOZRPQNUIIADRK-VXGBXAGGSA-N 0 3 283.799 3.189 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573788 630345108 /nfs/dbraw/zinc/34/51/08/630345108.db2.gz HWYHJHSOWKNWNR-YOEHRIQHSA-N 0 3 294.439 3.025 20 30 CGEDHN CCC[C@H](NCCO[C@@H](C)C#N)c1ccc(F)cc1F ZINC000801938906 630371221 /nfs/dbraw/zinc/37/12/21/630371221.db2.gz KIJACAZYMXAQKP-NHYWBVRUSA-N 0 3 282.334 3.324 20 30 CGEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1nccc2ccccc21 ZINC000802226270 630385056 /nfs/dbraw/zinc/38/50/56/630385056.db2.gz JUHZJSMRCZUYCZ-PTZVLDCSSA-N 0 3 287.322 3.453 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2C[C@@H]2C(F)F)c([O-])c1 ZINC000804597729 630541644 /nfs/dbraw/zinc/54/16/44/630541644.db2.gz DIVDVSFTSFKWHL-ZASVFINYSA-N 0 3 282.334 3.311 20 30 CGEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000809686509 630783050 /nfs/dbraw/zinc/78/30/50/630783050.db2.gz WYBZQNNSQQKXAT-AWEZNQCLSA-N 0 3 273.767 3.232 20 30 CGEDHN C#CCOc1ccc(CN(C)Cc2ccc(O)cc2)cc1 ZINC000809753906 630801114 /nfs/dbraw/zinc/80/11/14/630801114.db2.gz VSTZYUJUTCMGSO-UHFFFAOYSA-N 0 3 281.355 3.036 20 30 CGEDHN C#C[C@@H](NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000809781266 630806403 /nfs/dbraw/zinc/80/64/03/630806403.db2.gz MLKJDWHTKQYGIV-OAHLLOKOSA-N 0 3 262.372 3.029 20 30 CGEDHN C#C[C@H](NCc1ccc(OCOCC)cc1)C(C)(C)C ZINC000809781619 630806437 /nfs/dbraw/zinc/80/64/37/630806437.db2.gz XKIQSNOVSRCQLF-INIZCTEOSA-N 0 3 275.392 3.197 20 30 CGEDHN C#C[C@@H](N[C@@H](C)CC1CCOCC1)c1ccc(F)cc1 ZINC000812793430 631312432 /nfs/dbraw/zinc/31/24/32/631312432.db2.gz TVLWTYNSCZJZEF-SUMWQHHRSA-N 0 3 275.367 3.295 20 30 CGEDHN Nc1ccc2c(c1)C(=NNC[C@@H]1CCSC1)CCCC2 ZINC000817329444 632123749 /nfs/dbraw/zinc/12/37/49/632123749.db2.gz YPNAWOBNMCLJKJ-LBPRGKRZSA-N 0 3 289.448 3.042 20 30 CGEDHN COC1([C@@H](C)NCc2cc(C#N)ccc2F)CCCC1 ZINC000817582262 632189637 /nfs/dbraw/zinc/18/96/37/632189637.db2.gz WXCRQFRUADELEA-GFCCVEGCSA-N 0 3 276.355 3.135 20 30 CGEDHN C=CCCCCC[C@H](C)N[C@@H]1CNCCC1(F)F ZINC000817982168 632273351 /nfs/dbraw/zinc/27/33/51/632273351.db2.gz YTJIUAZLWLRXOJ-QWHCGFSZSA-N 0 3 260.372 3.098 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000818347296 632312046 /nfs/dbraw/zinc/31/20/46/632312046.db2.gz PUSQQWYRZBNUJT-OICBVUGWSA-N 0 3 291.366 3.260 20 30 CGEDHN C#CCN(C)CCCNC(=O)CC(C)(C)C1CCCCC1 ZINC000818589206 632338709 /nfs/dbraw/zinc/33/87/09/632338709.db2.gz UXKQFOUMUUTQLW-UHFFFAOYSA-N 0 3 292.467 3.054 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2nn(C)cc2C(F)F)C1 ZINC000865808027 632897425 /nfs/dbraw/zinc/89/74/25/632897425.db2.gz WHXNBNSSUNZNOE-QWRGUYRKSA-N 0 3 269.339 3.192 20 30 CGEDHN CC(C)CN(CCC#N)CC[C@@H]1CC1(Cl)Cl ZINC000822634775 632992873 /nfs/dbraw/zinc/99/28/73/632992873.db2.gz KZFYOTSHLHGYMN-LLVKDONJSA-N 0 3 263.212 3.442 20 30 CGEDHN CC(C)CN(CCC#N)CC[C@H]1CC1(Cl)Cl ZINC000822634777 632993076 /nfs/dbraw/zinc/99/30/76/632993076.db2.gz KZFYOTSHLHGYMN-NSHDSACASA-N 0 3 263.212 3.442 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000866499219 633161364 /nfs/dbraw/zinc/16/13/64/633161364.db2.gz GRMCHDVNYXXKMG-OASPWFOLSA-N 0 3 284.281 3.190 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000824954316 633309801 /nfs/dbraw/zinc/30/98/01/633309801.db2.gz PNHPCYHEWOFFLB-LZWOXQAQSA-N 0 3 261.365 3.167 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1cccc(C)c1C ZINC000876600688 634865439 /nfs/dbraw/zinc/86/54/39/634865439.db2.gz LDBUJFZMPJNCGF-CYBMUJFWSA-N 0 3 280.799 3.126 20 30 CGEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCCC2)CCCC1 ZINC000825373118 633350286 /nfs/dbraw/zinc/35/02/86/633350286.db2.gz CWRDSKCYSVZADB-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000826861061 633437879 /nfs/dbraw/zinc/43/78/79/633437879.db2.gz AGJXFZMWDYOFGV-GJZGRUSLSA-N 0 3 283.375 3.103 20 30 CGEDHN C#CCN(CCC[C@H]1CCOC1)Cc1ccc(F)cc1 ZINC000827815144 633521717 /nfs/dbraw/zinc/52/17/17/633521717.db2.gz ONPKWOLGGXEWBK-INIZCTEOSA-N 0 3 275.367 3.078 20 30 CGEDHN CCOC(C)(C)C(=O)C(C#N)c1nccc2ccccc21 ZINC000870314831 633558643 /nfs/dbraw/zinc/55/86/43/633558643.db2.gz UIXQIYVGERLURT-AWEZNQCLSA-N 0 3 282.343 3.226 20 30 CGEDHN C=CCCCCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000829158589 633705597 /nfs/dbraw/zinc/70/55/97/633705597.db2.gz BPFVWQWCPIPLLP-QGZVFWFLSA-N 0 3 286.419 3.076 20 30 CGEDHN C#CCCCCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000871832423 633881057 /nfs/dbraw/zinc/88/10/57/633881057.db2.gz WHNVBXJMNWWBHC-GOSISDBHSA-N 0 3 299.393 3.432 20 30 CGEDHN C=CC[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046714 633969334 /nfs/dbraw/zinc/96/93/34/633969334.db2.gz ZNCCZGSPXUFDCY-NXEZZACHSA-N 0 3 252.289 3.349 20 30 CGEDHN C#CCCCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872048472 633971803 /nfs/dbraw/zinc/97/18/03/633971803.db2.gz JQPPWCLECYROOZ-NSHDSACASA-N 0 3 264.300 3.188 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872070116 633992388 /nfs/dbraw/zinc/99/23/88/633992388.db2.gz XYTVUORXSHTYDT-HSMVNMDESA-N 0 3 279.355 3.163 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H](Cc1cccnc1)C1CCCC1 ZINC000872238630 634086645 /nfs/dbraw/zinc/08/66/45/634086645.db2.gz ZFEFLRADPUEVCN-AEFFLSMTSA-N 0 3 296.418 3.216 20 30 CGEDHN N#CCC[C@@H](C#N)CN[C@@H](Cc1cccnc1)C1CCCC1 ZINC000872238636 634087107 /nfs/dbraw/zinc/08/71/07/634087107.db2.gz ZFEFLRADPUEVCN-WMZOPIPTSA-N 0 3 296.418 3.216 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834889667 634270314 /nfs/dbraw/zinc/27/03/14/634270314.db2.gz WFOWQOLNIOAXDX-RSXIPKFTSA-N 0 3 277.339 3.013 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000834892379 634270697 /nfs/dbraw/zinc/27/06/97/634270697.db2.gz LIJPVNMXRVBOEO-UXLLHSPISA-N 0 3 275.392 3.475 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CNC2(C)CC(F)(F)C2)cc1 ZINC000873198109 634281958 /nfs/dbraw/zinc/28/19/58/634281958.db2.gz QLVHUEQWVYAGON-LLVKDONJSA-N 0 3 280.318 3.255 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000876561846 634857417 /nfs/dbraw/zinc/85/74/17/634857417.db2.gz UWLLBKBEEGECPF-KBPBESRZSA-N 0 3 280.799 3.114 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CCCCC2)CC1 ZINC000876641924 634873256 /nfs/dbraw/zinc/87/32/56/634873256.db2.gz QBAYIWGHEUJUMN-CYBMUJFWSA-N 0 3 284.831 3.029 20 30 CGEDHN C=C1CCN(CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000876694232 634882873 /nfs/dbraw/zinc/88/28/73/634882873.db2.gz FZHLYERQWAWRLA-UHFFFAOYSA-N 0 3 292.423 3.038 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)cc1NC(C)C ZINC000876747698 634891955 /nfs/dbraw/zinc/89/19/55/634891955.db2.gz KHPZLUSUUBRCMF-LLVKDONJSA-N 0 3 299.777 3.054 20 30 CGEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876892256 634922573 /nfs/dbraw/zinc/92/25/73/634922573.db2.gz IOOINIIAHWFGIJ-GFCCVEGCSA-N 0 3 285.778 3.500 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1c2ccccc2C(C)(C)[C@@H]1C ZINC000876970414 634941358 /nfs/dbraw/zinc/94/13/58/634941358.db2.gz QUWSEABWLZUJRM-WCQYABFASA-N 0 3 292.810 3.169 20 30 CGEDHN C[C@H]1CC[C@H](NCc2cc(C#N)cnc2Cl)CC1 ZINC000877026788 634955044 /nfs/dbraw/zinc/95/50/44/634955044.db2.gz KFTUUTIVRNSYOZ-MJHDQNEOSA-N 0 3 263.772 3.275 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(c1ccccc1)[C@@H](C)C1CC1 ZINC000877139637 635000194 /nfs/dbraw/zinc/00/01/94/635000194.db2.gz UUDLUVVIZPDUNR-WFASDCNBSA-N 0 3 292.810 3.288 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](OC)C2CC2)c([O-])c1 ZINC000840707090 635037820 /nfs/dbraw/zinc/03/78/20/635037820.db2.gz SDSYGMKPKHPRNB-AUUUKSDWSA-N 0 3 290.407 3.082 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc3c(ccnc3Cl)o2)C1 ZINC000877597498 635106863 /nfs/dbraw/zinc/10/68/63/635106863.db2.gz NVGQVKCFFWEQKX-VHSXEESVSA-N 0 3 275.739 3.263 20 30 CGEDHN C=CCCSCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877625426 635119037 /nfs/dbraw/zinc/11/90/37/635119037.db2.gz YLBZYXVRBQOJJV-UHFFFAOYSA-N 0 3 251.395 3.100 20 30 CGEDHN Cc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1F ZINC000842156785 635298662 /nfs/dbraw/zinc/29/86/62/635298662.db2.gz NZVYNBBKRQHDLS-GOSISDBHSA-N 0 3 298.361 3.171 20 30 CGEDHN CC1(C)C[C@@H](CN(CCC#N)CC2CC2)C(C)(C)O1 ZINC000878159075 635385733 /nfs/dbraw/zinc/38/57/33/635385733.db2.gz DEZKRYCYYNSEAX-AWEZNQCLSA-N 0 3 264.413 3.206 20 30 CGEDHN C(=NNC12CC(C1)C2)c1ccc(N2CCCCC2)cc1 ZINC000842547842 635400415 /nfs/dbraw/zinc/40/04/15/635400415.db2.gz ZHNHECINLGNXLC-UHFFFAOYSA-N 0 3 269.392 3.153 20 30 CGEDHN C#CC[C@H]1CCCN(Cn2cc(-c3ccccc3)cn2)C1 ZINC000842628382 635421506 /nfs/dbraw/zinc/42/15/06/635421506.db2.gz BNTRCCXZMLOLEF-INIZCTEOSA-N 0 3 279.387 3.243 20 30 CGEDHN C#CCCCCCN1CCC(C(=O)C(F)(F)F)CC1 ZINC000878454841 635513789 /nfs/dbraw/zinc/51/37/89/635513789.db2.gz JMEBAFCCLNYTAG-UHFFFAOYSA-N 0 3 275.314 3.023 20 30 CGEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942347 635521647 /nfs/dbraw/zinc/52/16/47/635521647.db2.gz XQXKMUUFZPPVLO-KOLCDFICSA-N 0 3 280.418 3.338 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000843424451 635667956 /nfs/dbraw/zinc/66/79/56/635667956.db2.gz UPUIFHGKWBMODN-OAHLLOKOSA-N 0 3 279.387 3.312 20 30 CGEDHN C[C@@H](C#N)OCCN1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000844394880 635889824 /nfs/dbraw/zinc/88/98/24/635889824.db2.gz AAJNYPBGFCSHIH-OLZOCXBDSA-N 0 3 292.810 3.230 20 30 CGEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000880274475 635961273 /nfs/dbraw/zinc/96/12/73/635961273.db2.gz CHCIPWJRJSYDNC-UHFFFAOYSA-N 0 3 294.464 3.241 20 30 CGEDHN C=CCN1CCC(NC(=O)/C=C\C2CCCCCC2)CC1 ZINC000845447204 636036260 /nfs/dbraw/zinc/03/62/60/636036260.db2.gz ACSMWYPCDVQEIB-KTKRTIGZSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)C(C)(C)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845730572 636088009 /nfs/dbraw/zinc/08/80/09/636088009.db2.gz ONSNLKVZOXVSHM-LBPRGKRZSA-N 0 3 253.386 3.005 20 30 CGEDHN Cc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)cs1 ZINC000846008167 636128460 /nfs/dbraw/zinc/12/84/60/636128460.db2.gz SGAXKOQWVBEQRP-INIZCTEOSA-N 0 3 286.400 3.094 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(N(C)C(C)C)nc2)cc1 ZINC000883132030 636549652 /nfs/dbraw/zinc/54/96/52/636549652.db2.gz CUKNSGRTTHGEIN-UHFFFAOYSA-N 0 3 293.414 3.197 20 30 CGEDHN c1ccc2c(N=NC3CCCN4CCCC[C@@H]34)cnnc2c1 ZINC000848406924 636568395 /nfs/dbraw/zinc/56/83/95/636568395.db2.gz RZVKUZCLOYHDAG-KRWDZBQOSA-N 0 3 295.390 3.046 20 30 CGEDHN c1ccc2c(N=NC3CCCN4CCCC[C@H]34)ccnc2c1 ZINC000848405725 636568481 /nfs/dbraw/zinc/56/84/81/636568481.db2.gz WDHNHNOOXPHDQT-GOSISDBHSA-N 0 3 294.402 3.073 20 30 CGEDHN COc1cc(F)ccc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848409927 636569329 /nfs/dbraw/zinc/56/93/29/636569329.db2.gz FWKUNKXJTKBQKX-HNNXBMFYSA-N 0 3 291.370 3.251 20 30 CGEDHN Clc1cccc(N=NC2CCCN3CCCC[C@H]23)n1 ZINC000848410468 636570479 /nfs/dbraw/zinc/57/04/79/636570479.db2.gz OYTXHWOHQLHSKF-GFCCVEGCSA-N 0 3 278.787 3.151 20 30 CGEDHN C=CCC[C@@H](NCc1ncc(C)s1)[C@@H]1CCCO1 ZINC000883192997 636576383 /nfs/dbraw/zinc/57/63/83/636576383.db2.gz MISADZOAQDBFFU-OLZOCXBDSA-N 0 3 266.410 3.055 20 30 CGEDHN C=CCC[C@@H](NCc1c(C)onc1CC)[C@@H]1CCCO1 ZINC000883224049 636597075 /nfs/dbraw/zinc/59/70/75/636597075.db2.gz DLWINBWGKSPOLD-CVEARBPZSA-N 0 3 278.396 3.149 20 30 CGEDHN C#C[C@@H](NCc1cn(-c2ccccc2F)nc1C)C(C)C ZINC000848911027 636686150 /nfs/dbraw/zinc/68/61/50/636686150.db2.gz RASCJVMRLZCJAH-MRXNPFEDSA-N 0 3 285.366 3.067 20 30 CGEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccccc1Cl ZINC000883389182 636731609 /nfs/dbraw/zinc/73/16/09/636731609.db2.gz LYKBFEPHLXKXKL-NWDGAFQWSA-N 0 3 253.773 3.318 20 30 CGEDHN C=C(C)C[C@H](CO)NCc1ccc(C)cc1Cl ZINC000883399676 636741277 /nfs/dbraw/zinc/74/12/77/636741277.db2.gz SVDQTPVGMKXNMF-CYBMUJFWSA-N 0 3 253.773 3.065 20 30 CGEDHN C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(C#N)cc1 ZINC000849323200 636809422 /nfs/dbraw/zinc/80/94/22/636809422.db2.gz JSWYXSMBGNUJQA-DFBGVHRSSA-N 0 3 292.329 3.023 20 30 CGEDHN CC(=NNCC1CCCC1)c1c(C)cc(N)cc1C ZINC000884469616 637032443 /nfs/dbraw/zinc/03/24/43/637032443.db2.gz PRRQARHKSHOCCW-UHFFFAOYSA-N 0 3 259.397 3.389 20 30 CGEDHN N#CC(C(=O)CC1CCSCC1)c1nc2ccccc2[nH]1 ZINC000134964653 637059397 /nfs/dbraw/zinc/05/93/97/637059397.db2.gz WZILGPSHSLRWLO-LBPRGKRZSA-N 0 3 299.399 3.272 20 30 CGEDHN C=CCN(Cc1ccccc1F)[C@@H]1CC[C@H](OC)C1 ZINC000851734551 637482819 /nfs/dbraw/zinc/48/28/19/637482819.db2.gz UORUTVBDPMVMLF-CABCVRRESA-N 0 3 263.356 3.381 20 30 CGEDHN C#CC[C@H]1CCN(Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000886366176 637515948 /nfs/dbraw/zinc/51/59/48/637515948.db2.gz YRZXKKCXUKNGPP-AWEZNQCLSA-N 0 3 296.370 3.195 20 30 CGEDHN C#CCN(C(=O)CCCC[C@H](C)CC)C1CCN(C)CC1 ZINC000886579056 637589839 /nfs/dbraw/zinc/58/98/39/637589839.db2.gz WCRRQCWMSCULPR-MRXNPFEDSA-N 0 3 292.467 3.149 20 30 CGEDHN C#CCN(C(=O)C[C@@H](CC)CCCC)C1CCN(C)CC1 ZINC000886581168 637589887 /nfs/dbraw/zinc/58/98/87/637589887.db2.gz LSVIMSMCAXHCJW-INIZCTEOSA-N 0 3 292.467 3.149 20 30 CGEDHN C#C[C@](C)(CC)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000852100015 637594266 /nfs/dbraw/zinc/59/42/66/637594266.db2.gz DRDARHVJNLMXDM-SWLSCSKDSA-N 0 3 260.337 3.356 20 30 CGEDHN C#C[C@](C)(CC)NCc1ccc(-c2ccccn2)nc1 ZINC000852103900 637597478 /nfs/dbraw/zinc/59/74/78/637597478.db2.gz UYIURPWAELFBSW-QGZVFWFLSA-N 0 3 265.360 3.035 20 30 CGEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000852634053 637688388 /nfs/dbraw/zinc/68/83/88/637688388.db2.gz FMPUCKCPTIPXLV-VXGBXAGGSA-N 0 3 276.767 3.084 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886816790 637703942 /nfs/dbraw/zinc/70/39/42/637703942.db2.gz YOXMXMPNSUSHOH-DOTOQJQBSA-N 0 3 289.806 3.192 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2C[C@H](OC)C2)c([O-])c1 ZINC000887268906 637785297 /nfs/dbraw/zinc/78/52/97/637785297.db2.gz XZFFFBQTVYEFGJ-CLOYKZEASA-N 0 3 290.407 3.082 20 30 CGEDHN C[C@H](CN1CCC(C)CC1)Nc1snc(Cl)c1C#N ZINC000853866950 637945691 /nfs/dbraw/zinc/94/56/91/637945691.db2.gz CMTRKPTZCCHUPN-SNVBAGLBSA-N 0 3 298.843 3.200 20 30 CGEDHN C=CC[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000855436379 638196757 /nfs/dbraw/zinc/19/67/57/638196757.db2.gz ABPORNJELLIKKO-WMLDXEAASA-N 0 3 296.430 3.014 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNCC[C@H]1CC1(F)F ZINC000856802185 638392090 /nfs/dbraw/zinc/39/20/90/638392090.db2.gz CQAODNRJFBTVJU-NSHDSACASA-N 0 3 299.748 3.487 20 30 CGEDHN COc1cccc2c1OCC[C@@H]2N[C@H](C)CC(C)(C)C#N ZINC000925402446 638500497 /nfs/dbraw/zinc/50/04/97/638500497.db2.gz GFDXBVOKSASSFI-OCCSQVGLSA-N 0 3 288.391 3.437 20 30 CGEDHN C#Cc1ccc(CN[C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858341669 638686188 /nfs/dbraw/zinc/68/61/88/638686188.db2.gz KCKOCLJDVJKVSY-IBGZPJMESA-N 0 3 292.382 3.312 20 30 CGEDHN C=C(C)[C@H](N[C@@H]1COC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000926207554 638740903 /nfs/dbraw/zinc/74/09/03/638740903.db2.gz VIMTUNFFXRJCKT-VQISRLSMSA-N 0 3 267.319 3.207 20 30 CGEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1COCc2ccccc21 ZINC000926599290 638790053 /nfs/dbraw/zinc/79/00/53/638790053.db2.gz DTZWEAFCVKFNGZ-IUODEOHRSA-N 0 3 258.365 3.176 20 30 CGEDHN C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cc([O-])cc(F)c1 ZINC000926810280 638814652 /nfs/dbraw/zinc/81/46/52/638814652.db2.gz BZNQUUGRSVWTKO-GTNSWQLSSA-N 0 3 296.345 3.221 20 30 CGEDHN N#CC1(CN[C@@H]2CCOC23CCCCC3)CCCC1 ZINC000926878607 638820299 /nfs/dbraw/zinc/82/02/99/638820299.db2.gz GLOCUPREDCQKGB-CQSZACIVSA-N 0 3 262.397 3.152 20 30 CGEDHN COC(=O)CN(CCCCC1(C#N)CCC1)C1CCCC1 ZINC000929836234 638955881 /nfs/dbraw/zinc/95/58/81/638955881.db2.gz VDXKWWWPGKEOON-UHFFFAOYSA-N 0 3 292.423 3.268 20 30 CGEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)C2(CCC2)CO1 ZINC000930857628 639078016 /nfs/dbraw/zinc/07/80/16/639078016.db2.gz YKEBPHBEQGPWGW-OAHLLOKOSA-N 0 3 276.424 3.494 20 30 CGEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930966974 639091076 /nfs/dbraw/zinc/09/10/76/639091076.db2.gz SFKAENDBIPKUFS-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000931288534 639130714 /nfs/dbraw/zinc/13/07/14/639130714.db2.gz MYGZCCCUHBRTKI-UKRRQHHQSA-N 0 3 287.407 3.019 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ncco2)CC1 ZINC000931449142 639150908 /nfs/dbraw/zinc/15/09/08/639150908.db2.gz PPCNPZNDSARBSN-CYBMUJFWSA-N 0 3 281.359 3.487 20 30 CGEDHN N#CC[C@@H](O)CN[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000931471546 639156510 /nfs/dbraw/zinc/15/65/10/639156510.db2.gz NOJDOZMERJLPOR-SJORKVTESA-N 0 3 290.382 3.311 20 30 CGEDHN C#CCN(CCc1nc(-c2ccccc2)no1)C(C)(C)C ZINC000932464115 639337504 /nfs/dbraw/zinc/33/75/04/639337504.db2.gz MEAUPRJTWGEZJL-UHFFFAOYSA-N 0 3 283.375 3.013 20 30 CGEDHN N#CCCCN1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932620972 639366912 /nfs/dbraw/zinc/36/69/12/639366912.db2.gz SKFWPJXQHMESIV-UHFFFAOYSA-N 0 3 275.421 3.115 20 30 CGEDHN C#CCC1(NCc2cccc(F)c2OC(F)F)CCC1 ZINC000933294350 639435490 /nfs/dbraw/zinc/43/54/90/639435490.db2.gz IQFSEYGGXSMPEW-UHFFFAOYSA-N 0 3 283.293 3.463 20 30 CGEDHN C=CC[C@@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000860898679 639457793 /nfs/dbraw/zinc/45/77/93/639457793.db2.gz MIVMXDWHVQRNGC-CQSZACIVSA-N 0 3 273.376 3.404 20 30 CGEDHN CCC[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000076842941 640218677 /nfs/dbraw/zinc/21/86/77/640218677.db2.gz WYCPIQKOHNOQAV-QWRGUYRKSA-N 0 3 256.305 3.440 20 30 CGEDHN CCC[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000076842938 640219123 /nfs/dbraw/zinc/21/91/23/640219123.db2.gz WYCPIQKOHNOQAV-MNOVXSKESA-N 0 3 256.305 3.440 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C)o2)cc1 ZINC000193448716 640459422 /nfs/dbraw/zinc/45/94/22/640459422.db2.gz YAXUYUOZCKCQRQ-CQSZACIVSA-N 0 3 296.326 3.112 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2coc3ccccc32)CC1 ZINC001006476869 640462138 /nfs/dbraw/zinc/46/21/38/640462138.db2.gz WKMWDCFIERFBGL-UHFFFAOYSA-N 0 3 298.386 3.155 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001017357369 640801216 /nfs/dbraw/zinc/80/12/16/640801216.db2.gz JDGPDNZVKVACLC-GASCZTMLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001007412833 640942837 /nfs/dbraw/zinc/94/28/37/640942837.db2.gz OTVWXSOTHSHGEV-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001017541478 641013764 /nfs/dbraw/zinc/01/37/64/641013764.db2.gz ZOMMAVYBSHHINW-CALCHBBNSA-N 0 3 288.435 3.128 20 30 CGEDHN N#Cc1ccccc1CNc1ncccc1CN1CCCC1 ZINC001156791021 805737319 /nfs/dbraw/zinc/73/73/19/805737319.db2.gz LQIQWKZVTAKMLJ-UHFFFAOYSA-N 0 3 292.386 3.161 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(Cl)o1 ZINC001157529360 805827052 /nfs/dbraw/zinc/82/70/52/805827052.db2.gz YWRZJPMJYOHFHJ-GFCCVEGCSA-N 0 3 296.798 3.046 20 30 CGEDHN C=CCN(c1cc(Cl)nc2c1CCNC2)C(C)(C)C ZINC001157585365 805840753 /nfs/dbraw/zinc/84/07/53/805840753.db2.gz DIPBGCVRQCSGQI-UHFFFAOYSA-N 0 3 279.815 3.172 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001157999352 805912267 /nfs/dbraw/zinc/91/22/67/805912267.db2.gz GFMAHYBGMVWRQF-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](CC)CCC ZINC001158673272 805982240 /nfs/dbraw/zinc/98/22/40/805982240.db2.gz ITKQWFODFILBPG-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN CCCCCCCC[C@@H](O)CN1CCc2[nH]ccc2C1 ZINC001252132263 806018549 /nfs/dbraw/zinc/01/85/49/806018549.db2.gz DCAJYDZFKIVPQY-MRXNPFEDSA-N 0 3 278.440 3.484 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cccc(OC)n1 ZINC001252141245 806025468 /nfs/dbraw/zinc/02/54/68/806025468.db2.gz XQDZBNLGAKFYRS-MRXNPFEDSA-N 0 3 294.439 3.291 20 30 CGEDHN C=C[C@](C)(O)CN(C)[C@H](C)c1ccccc1Cl ZINC001252559150 806066323 /nfs/dbraw/zinc/06/63/23/806066323.db2.gz RNHSVLPMEJLABJ-RISCZKNCSA-N 0 3 253.773 3.270 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001252604674 806083194 /nfs/dbraw/zinc/08/31/94/806083194.db2.gz WXTXPTZEJXXAAR-JKSUJKDBSA-N 0 3 281.346 3.429 20 30 CGEDHN C=CCC[C@@H](O)CNCc1cc(C(F)(F)F)ccc1F ZINC001252614462 806089123 /nfs/dbraw/zinc/08/91/23/806089123.db2.gz JWJOEJWMVSLMMB-GFCCVEGCSA-N 0 3 291.288 3.261 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(C)c(F)c1F ZINC001252620141 806091789 /nfs/dbraw/zinc/09/17/89/806091789.db2.gz QKLBDEJMKCHVPK-RYUDHWBXSA-N 0 3 269.335 3.251 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2CCCCCC2)CC1 ZINC001159538999 806118670 /nfs/dbraw/zinc/11/86/70/806118670.db2.gz WRMGMNPFOKXXRB-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C=CCCCCCC[C@@H](O)CN(C)Cc1c(C)n[nH]c1C ZINC001253238031 806188457 /nfs/dbraw/zinc/18/84/57/806188457.db2.gz ALPNIJGERGDJBV-MRXNPFEDSA-N 0 3 293.455 3.346 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2=CCCCCC2)CC1 ZINC001159922859 806201061 /nfs/dbraw/zinc/20/10/61/806201061.db2.gz RSVSGZRNUUMSOQ-UHFFFAOYSA-N 0 3 288.435 3.201 20 30 CGEDHN C=C[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001253582594 806263104 /nfs/dbraw/zinc/26/31/04/806263104.db2.gz QOJPPGXQETZVTF-ZIAGYGMSSA-N 0 3 251.757 3.024 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001161035817 806340478 /nfs/dbraw/zinc/34/04/78/806340478.db2.gz BKORYASAHBZQNS-NVXWUHKLSA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001161044562 806342469 /nfs/dbraw/zinc/34/24/69/806342469.db2.gz NCOYPEDOAYEKKE-WBVHZDCISA-N 0 3 290.451 3.137 20 30 CGEDHN N#CC1(c2ccc(F)cc2)CCC(n2ccc(CN)n2)CC1 ZINC001254345064 806383264 /nfs/dbraw/zinc/38/32/64/806383264.db2.gz OZVAKNCYFMJJAX-UHFFFAOYSA-N 0 3 298.365 3.058 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)c2cccc(C)c2C)CC1 ZINC001161805499 806457540 /nfs/dbraw/zinc/45/75/40/806457540.db2.gz LCWQREJIZMWYDF-UHFFFAOYSA-N 0 3 298.430 3.241 20 30 CGEDHN CC[C@H](CC#N)NC1CCN(c2ccc(F)cc2)CC1 ZINC001254618409 806461098 /nfs/dbraw/zinc/46/10/98/806461098.db2.gz JJIYDESQSIUBIO-CQSZACIVSA-N 0 3 275.371 3.076 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2cc(F)cc(Cl)c2)C1 ZINC001254634778 806466265 /nfs/dbraw/zinc/46/62/65/806466265.db2.gz LBWPXVDCYARNML-ZANVPECISA-N 0 3 252.720 3.261 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H](CCO)c2cccc(Cl)c2)C1 ZINC001254649826 806472367 /nfs/dbraw/zinc/47/23/67/806472367.db2.gz RHHHSECZJYHKTK-GLQYFDAESA-N 0 3 278.783 3.045 20 30 CGEDHN CC[C@@H](CC#N)NCCCCC(=O)OCc1ccccc1 ZINC001255157665 806558723 /nfs/dbraw/zinc/55/87/23/806558723.db2.gz TWCWDMAUYBPTFF-INIZCTEOSA-N 0 3 288.391 3.182 20 30 CGEDHN CC[C@@H](CC#N)NC1(Cc2ccc(OC)cc2)CCC1 ZINC001255162615 806561399 /nfs/dbraw/zinc/56/13/99/806561399.db2.gz UUITTZGPKYFGTB-HNNXBMFYSA-N 0 3 272.392 3.442 20 30 CGEDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc(CS)cc1 ZINC001162777091 806662970 /nfs/dbraw/zinc/66/29/70/806662970.db2.gz KPXUZSKPZCREIO-LLVKDONJSA-N 0 3 283.400 3.475 20 30 CGEDHN C[C@H](CC(F)(F)F)NC(=N)c1ccc2ccccc2n1 ZINC001255642287 806689193 /nfs/dbraw/zinc/68/91/93/806689193.db2.gz WPWXBOSYHORKFC-SECBINFHSA-N 0 3 281.281 3.281 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCC)cc1 ZINC000128618950 799019327 /nfs/dbraw/zinc/01/93/27/799019327.db2.gz BKUFVZKHZCSFDB-OAHLLOKOSA-N 0 3 286.375 3.477 20 30 CGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCC)cc1 ZINC000128618695 799020085 /nfs/dbraw/zinc/02/00/85/799020085.db2.gz BKUFVZKHZCSFDB-HNNXBMFYSA-N 0 3 286.375 3.477 20 30 CGEDHN C/C(=N\O)c1ccc(N[C@H]2CNCc3ccsc32)cc1 ZINC001163236069 806731862 /nfs/dbraw/zinc/73/18/62/806731862.db2.gz DVCYDRXGVIWXKW-XKYMITNMSA-N 0 3 287.388 3.203 20 30 CGEDHN C#C[C@H](NCc1c(C)nn(-c2ccccc2)c1C)C(C)C ZINC000384785273 799418940 /nfs/dbraw/zinc/41/89/40/799418940.db2.gz XAHLXXMYETVHET-SFHVURJKSA-N 0 3 281.403 3.237 20 30 CGEDHN C=CCCC[C@H](C)NCc1nc(Br)c[nH]1 ZINC000398064966 799525925 /nfs/dbraw/zinc/52/59/25/799525925.db2.gz ITLRMJUMNOZWDW-VIFPVBQESA-N 0 3 272.190 3.007 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1cnn(Cc2ccccc2)c1 ZINC000695863848 799836523 /nfs/dbraw/zinc/83/65/23/799836523.db2.gz KGIUWNBZNWAWIX-OAHLLOKOSA-N 0 3 296.418 3.349 20 30 CGEDHN C[C@]1(C(F)(F)F)CCN(Cc2ccc(C#N)cc2)C1 ZINC000708718227 799993338 /nfs/dbraw/zinc/99/33/38/799993338.db2.gz FPNHWAYPVVLHHK-ZDUSSCGKSA-N 0 3 268.282 3.333 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(C#N)c(F)c1 ZINC000709991120 800026266 /nfs/dbraw/zinc/02/62/66/800026266.db2.gz QEJDIOMGHJOOKM-LLVKDONJSA-N 0 3 259.328 3.115 20 30 CGEDHN CSCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000719302523 800235986 /nfs/dbraw/zinc/23/59/86/800235986.db2.gz NKFZYRSTMFRQAY-UHFFFAOYSA-N 0 3 260.406 3.133 20 30 CGEDHN CC[C@@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000721499654 800289956 /nfs/dbraw/zinc/28/99/56/800289956.db2.gz IMKGCBBCQQVUIE-MRXNPFEDSA-N 0 3 251.333 3.194 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H]2c2cccn2C)cc1 ZINC000809540088 800443860 /nfs/dbraw/zinc/44/38/60/800443860.db2.gz JYFBGJIEPYPTJN-SFHVURJKSA-N 0 3 264.372 3.344 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC001006209687 800698489 /nfs/dbraw/zinc/69/84/89/800698489.db2.gz DQZXUMCHUPQKQN-FUHWJXTLSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024333757 800726837 /nfs/dbraw/zinc/72/68/37/800726837.db2.gz UBSGOTPCENXWBN-GFCCVEGCSA-N 0 3 296.798 3.093 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccsc1C ZINC001024433892 800728276 /nfs/dbraw/zinc/72/82/76/800728276.db2.gz PPJXTHZIIWWZIT-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001028009203 800828552 /nfs/dbraw/zinc/82/85/52/800828552.db2.gz JQAQILVDQCUURC-CQSZACIVSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001028223238 800835371 /nfs/dbraw/zinc/83/53/71/800835371.db2.gz CZPLIKZTFQURFB-BRWVUGGUSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281657 800839882 /nfs/dbraw/zinc/83/98/82/800839882.db2.gz NVXSZXLARAMECL-OAHLLOKOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001029453781 800868860 /nfs/dbraw/zinc/86/88/60/800868860.db2.gz KRQANSOEFIPPLK-LJIGWXMPSA-N 0 3 296.430 3.012 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001032543508 800930140 /nfs/dbraw/zinc/93/01/40/800930140.db2.gz AMMADSDJVHJBIO-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032606443 800932169 /nfs/dbraw/zinc/93/21/69/800932169.db2.gz UIEPGYBJUGRKQE-RLFYNMQTSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033733467 800979492 /nfs/dbraw/zinc/97/94/92/800979492.db2.gz ZITLJZIFJULUSY-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033829454 800986169 /nfs/dbraw/zinc/98/61/69/800986169.db2.gz JQIYQOFHMRJRRS-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033943407 800990692 /nfs/dbraw/zinc/99/06/92/800990692.db2.gz MHDNGDQCMCWFPH-GPANFISMSA-N 0 3 296.430 3.014 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)(C)C)CC2 ZINC001035734534 801060474 /nfs/dbraw/zinc/06/04/74/801060474.db2.gz VFZPJAVLUDQJSA-OAHLLOKOSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001038246564 801123122 /nfs/dbraw/zinc/12/31/22/801123122.db2.gz NHAGKGROZIIIBZ-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001038287294 801123327 /nfs/dbraw/zinc/12/33/27/801123327.db2.gz KOZMESYZENUMOP-SJORKVTESA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402534 801125526 /nfs/dbraw/zinc/12/55/26/801125526.db2.gz NOWSUVZCEVMBSK-IAGOWNOFSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039053705 801142701 /nfs/dbraw/zinc/14/27/01/801142701.db2.gz LMHCTOOIHXEKDJ-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001039062133 801145149 /nfs/dbraw/zinc/14/51/49/801145149.db2.gz UWTIZTJQFCGZHE-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCCC1 ZINC001039355447 801159987 /nfs/dbraw/zinc/15/99/87/801159987.db2.gz PYTSEJUPQBVDRF-SJORKVTESA-N 0 3 288.435 3.128 20 30 CGEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)C1 ZINC001039906066 801168492 /nfs/dbraw/zinc/16/84/92/801168492.db2.gz FBQSZXIZVKVKFL-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2ccc(CC)cc2)CC1 ZINC001045634713 801282820 /nfs/dbraw/zinc/28/28/20/801282820.db2.gz UQALJAQTBGXLES-UHFFFAOYSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCCCCC1 ZINC001049372332 801369261 /nfs/dbraw/zinc/36/92/61/801369261.db2.gz IWSAALOMMSVDDC-DLBZAZTESA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CCCC1 ZINC001049814819 801388624 /nfs/dbraw/zinc/38/86/24/801388624.db2.gz BCMKGUIHVHGNGD-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2C1 ZINC001054253552 801480495 /nfs/dbraw/zinc/48/04/95/801480495.db2.gz CMULXIDEWRCPBY-KBXCAEBGSA-N 0 3 298.430 3.241 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(C)s2)CC[C@H]1C ZINC001071299021 801524199 /nfs/dbraw/zinc/52/41/99/801524199.db2.gz DTDQGVRVQSMEJA-TZMCWYRMSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071322134 801528047 /nfs/dbraw/zinc/52/80/47/801528047.db2.gz TZPDZFHCLZAKIH-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001085461621 801689531 /nfs/dbraw/zinc/68/95/31/801689531.db2.gz KNJSWSRCTCVWFR-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085945815 801713670 /nfs/dbraw/zinc/71/36/70/801713670.db2.gz RLOFINWVPDSIGQ-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001085982603 801716367 /nfs/dbraw/zinc/71/63/67/801716367.db2.gz ONAWZDZKGMFOSH-GOSISDBHSA-N 0 3 298.430 3.286 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1CC ZINC001087736300 801765525 /nfs/dbraw/zinc/76/55/25/801765525.db2.gz JCEJXHOXWJJLSL-DLBZAZTESA-N 0 3 284.403 3.098 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCC(=C)Cl)C1 ZINC001088359291 801786021 /nfs/dbraw/zinc/78/60/21/801786021.db2.gz WEAJCXHCLZXYQB-AWEZNQCLSA-N 0 3 298.858 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC001089075455 801820562 /nfs/dbraw/zinc/82/05/62/801820562.db2.gz FNGIRSWNADKJDK-CJNGLKHVSA-N 0 3 298.386 3.202 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)C2 ZINC001095983347 801887537 /nfs/dbraw/zinc/88/75/37/801887537.db2.gz XAPUVBXTGAFFRJ-FZKCQIBNSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1C)C2 ZINC001096471538 801889171 /nfs/dbraw/zinc/88/91/71/801889171.db2.gz AUCORWDEWBBMCF-NJAFHUGGSA-N 0 3 298.430 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C(\C)CC ZINC001099054349 801928669 /nfs/dbraw/zinc/92/86/69/801928669.db2.gz DLTDLKUKZVDTAQ-GOFCXVBSSA-N 0 3 278.440 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001099230223 801934350 /nfs/dbraw/zinc/93/43/50/801934350.db2.gz QYWGONYBSUFGFB-HNNXBMFYSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001100853254 801965211 /nfs/dbraw/zinc/96/52/11/801965211.db2.gz AOQGXKVZRYRYAO-OPFPJEHXSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102262984 802004272 /nfs/dbraw/zinc/00/42/72/802004272.db2.gz RHRJVZXJADVXJY-CWCORTEISA-N 0 3 298.858 3.025 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(=C)Cl)C2 ZINC001110596345 802144886 /nfs/dbraw/zinc/14/48/86/802144886.db2.gz FRYSBPOMZANCFW-MCIONIFRSA-N 0 3 296.842 3.063 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CC(C)C)C2 ZINC001111266386 802158088 /nfs/dbraw/zinc/15/80/88/802158088.db2.gz CHBUCJUWZMQAFI-HZMVEIRTSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CC(C)(C)C(=O)NCC1(NCC(=C)Cl)CCCCC1 ZINC001115667152 802270493 /nfs/dbraw/zinc/27/04/93/802270493.db2.gz YTRPLNUFKAQENF-UHFFFAOYSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCO[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC001116555689 802377253 /nfs/dbraw/zinc/37/72/53/802377253.db2.gz TXRNDQVUGZWPKU-QDLOVBKTSA-N 0 3 261.340 3.116 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cccc3c2OC(C)(C)C3)C1 ZINC001116554791 802377272 /nfs/dbraw/zinc/37/72/72/802377272.db2.gz FKQPXDUJGWRXNT-MRXNPFEDSA-N 0 3 287.403 3.177 20 30 CGEDHN C[C@H](CCCC#N)N1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001172490972 808349886 /nfs/dbraw/zinc/34/98/86/808349886.db2.gz BEASDJVFUCURBE-OLZOCXBDSA-N 0 3 282.384 3.095 20 30 CGEDHN C=C[C@@H](COC)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC001117504701 802469079 /nfs/dbraw/zinc/46/90/79/802469079.db2.gz YXNZJYLQUUUAEI-BLLLJJGKSA-N 0 3 270.376 3.336 20 30 CGEDHN CN(Cc1cc2ccccc2[nH]1)C[C@@H](O)CC1(C#N)CCC1 ZINC001119435325 802664105 /nfs/dbraw/zinc/66/41/05/802664105.db2.gz OQIBRHLZHKDXQE-INIZCTEOSA-N 0 3 297.402 3.045 20 30 CGEDHN N#CC(C(=O)[C@H]1CCC[C@@H](F)C1)c1nc2ccccc2[nH]1 ZINC001122020674 802855950 /nfs/dbraw/zinc/85/59/50/802855950.db2.gz RCNIGNHLLZWUKB-QJPTWQEYSA-N 0 3 285.322 3.267 20 30 CGEDHN N#CC(C(=O)[C@H]1CCC[C@H](F)C1)c1nc2ccccc2[nH]1 ZINC001122020675 802856425 /nfs/dbraw/zinc/85/64/25/802856425.db2.gz RCNIGNHLLZWUKB-SDDRHHMPSA-N 0 3 285.322 3.267 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC001122038882 802857767 /nfs/dbraw/zinc/85/77/67/802857767.db2.gz QYWAAPSRQAWXPT-NVXWUHKLSA-N 0 3 276.424 3.019 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC1(C)CC1 ZINC001122395088 802869241 /nfs/dbraw/zinc/86/92/41/802869241.db2.gz MNGNWKRCEJWNTD-LBPRGKRZSA-N 0 3 281.359 3.330 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC001123337973 802930854 /nfs/dbraw/zinc/93/08/54/802930854.db2.gz WNQOIHRVJJZZGX-UKRRQHHQSA-N 0 3 281.359 3.273 20 30 CGEDHN C=C(CC)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC001123495262 802950209 /nfs/dbraw/zinc/95/02/09/802950209.db2.gz JLHYGLPKIPLTTI-CQSZACIVSA-N 0 3 280.437 3.213 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132223482 803380835 /nfs/dbraw/zinc/38/08/35/803380835.db2.gz DXIMEGXNRRCIKE-HZPDHXFCSA-N 0 3 278.440 3.278 20 30 CGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132223570 803380873 /nfs/dbraw/zinc/38/08/73/803380873.db2.gz FCUGIPHRSLPETH-IAGRGRHTSA-N 0 3 276.424 3.054 20 30 CGEDHN C#CCCN1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132383945 803399783 /nfs/dbraw/zinc/39/97/83/803399783.db2.gz GNRYOWPIWOQKLF-HOTGVXAUSA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(CC)CC)CC[C@@H]1C ZINC001132494580 803408772 /nfs/dbraw/zinc/40/87/72/803408772.db2.gz UPGKDICTGOFPAC-GJZGRUSLSA-N 0 3 280.456 3.358 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1cccc(Cl)c1 ZINC001132653526 803424361 /nfs/dbraw/zinc/42/43/61/803424361.db2.gz NVTVPYBMAAWQEH-CYBMUJFWSA-N 0 3 294.826 3.148 20 30 CGEDHN CC(C)Oc1ccccc1CN1CCC(S)CC1 ZINC001137139849 803686892 /nfs/dbraw/zinc/68/68/92/803686892.db2.gz ZLKLHWODWLTDEG-UHFFFAOYSA-N 0 3 265.422 3.368 20 30 CGEDHN N#CC1CCN(Cc2ccc(O)c3ccccc23)CC1 ZINC001138054601 803841122 /nfs/dbraw/zinc/84/11/22/803841122.db2.gz LZVHIPPHMWVEEM-UHFFFAOYSA-N 0 3 266.344 3.281 20 30 CGEDHN CCOc1cccc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001138101357 803853795 /nfs/dbraw/zinc/85/37/95/803853795.db2.gz YUOQZPDHKSGRCM-CQSZACIVSA-N 0 3 258.365 3.211 20 30 CGEDHN O=C1C=C2CN(Cc3ccc4ncccc4c3)CCC2S1 ZINC001138107248 803857215 /nfs/dbraw/zinc/85/72/15/803857215.db2.gz NTPUNFIEHVKMAZ-MRXNPFEDSA-N 0 3 296.395 3.009 20 30 CGEDHN O=C1C=C2CN(Cc3ccc4ncccc4c3)CC[C@H]2S1 ZINC001138107248 803857224 /nfs/dbraw/zinc/85/72/24/803857224.db2.gz NTPUNFIEHVKMAZ-MRXNPFEDSA-N 0 3 296.395 3.009 20 30 CGEDHN N#CC1(c2ccccc2-c2c([O-])cccc2F)CC[NH2+]CC1 ZINC001245653848 803884298 /nfs/dbraw/zinc/88/42/98/803884298.db2.gz GDOWWCNZKQVQDN-UHFFFAOYSA-N 0 3 296.345 3.343 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)CCc2ccncc2)c1[O-] ZINC001138629101 803984871 /nfs/dbraw/zinc/98/48/71/803984871.db2.gz ODBDQFXWFUQDJX-UHFFFAOYSA-N 0 3 282.387 3.190 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)CCc2ccncc2)c1[O-] ZINC001138629101 803984877 /nfs/dbraw/zinc/98/48/77/803984877.db2.gz ODBDQFXWFUQDJX-UHFFFAOYSA-N 0 3 282.387 3.190 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCN(C(C)C)CC1 ZINC001138663182 803996616 /nfs/dbraw/zinc/99/66/16/803996616.db2.gz PRYYMNPWQXZTRN-UHFFFAOYSA-N 0 3 288.435 3.168 20 30 CGEDHN C=C(C)COc1ccccc1CN1CCC(COC)CC1 ZINC001138662878 803997185 /nfs/dbraw/zinc/99/71/85/803997185.db2.gz FVYXRWDSQGTORM-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN C=CCOc1ccccc1CN1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001139030238 804114557 /nfs/dbraw/zinc/11/45/57/804114557.db2.gz BAZDBMJDOMWEES-GOEBONIOSA-N 0 3 285.387 3.052 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](OCCC)C1 ZINC001139029884 804115001 /nfs/dbraw/zinc/11/50/01/804115001.db2.gz UNUGKORVYLOFOD-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)CN(CC)Cc1ccccc1OCC(=O)OCC ZINC001139135916 804134165 /nfs/dbraw/zinc/13/41/65/804134165.db2.gz MZJFJPVOAPJRHE-UHFFFAOYSA-N 0 3 291.391 3.027 20 30 CGEDHN COC(C)(C)[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC001139651815 804244118 /nfs/dbraw/zinc/24/41/18/804244118.db2.gz WAMQQDQNYFNPGH-HNNXBMFYSA-N 0 3 276.355 3.087 20 30 CGEDHN CCN1CCN(Cc2cccc(Cl)c2C#N)C(C)(C)C1 ZINC001139693200 804256251 /nfs/dbraw/zinc/25/62/51/804256251.db2.gz SUUHQASFUYBYGQ-UHFFFAOYSA-N 0 3 291.826 3.128 20 30 CGEDHN CN(Cc1c[nH]c2c1cccc2C#N)Cc1cccc(O)c1 ZINC001139701547 804258449 /nfs/dbraw/zinc/25/84/49/804258449.db2.gz JBQODDBYNIKKGM-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN N#Cc1cccc2c(CN3CCC[C@H]4C[C@H]43)c[nH]c21 ZINC001139706648 804261321 /nfs/dbraw/zinc/26/13/21/804261321.db2.gz COAQWOWKGSHODU-XHDPSFHLSA-N 0 3 251.333 3.024 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc3ccccc3cn2)C1 ZINC001139998748 804347751 /nfs/dbraw/zinc/34/77/51/804347751.db2.gz CFRNJFOHHZXMCA-CQSZACIVSA-N 0 3 250.345 3.080 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC4(C3)CCCC4)c2c1 ZINC001140110287 804379858 /nfs/dbraw/zinc/37/98/58/804379858.db2.gz IJZVPXUPIOASRF-UHFFFAOYSA-N 0 3 265.360 3.416 20 30 CGEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H]4OCCC[C@H]4C3)c2c1 ZINC001140112468 804381215 /nfs/dbraw/zinc/38/12/15/804381215.db2.gz VJZCPGOPAVHUEI-KBXCAEBGSA-N 0 3 295.386 3.040 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccccn2)c(F)c1 ZINC001140139286 804386255 /nfs/dbraw/zinc/38/62/55/804386255.db2.gz PUCOLIMJBNMYET-KRWDZBQOSA-N 0 3 295.361 3.299 20 30 CGEDHN COc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1C ZINC001140160242 804391952 /nfs/dbraw/zinc/39/19/52/804391952.db2.gz UANRCPPELGPZTE-PHZGNYQRSA-N 0 3 270.376 3.270 20 30 CGEDHN N#CC1CCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140377199 804425292 /nfs/dbraw/zinc/42/52/92/804425292.db2.gz RONWXARHCHRXJB-UHFFFAOYSA-N 0 3 277.371 3.484 20 30 CGEDHN C=CCCCCN(C)Cc1ccc(C(=O)OC)s1 ZINC001140524247 804450441 /nfs/dbraw/zinc/45/04/41/804450441.db2.gz ZJMCYCNBQYKASW-UHFFFAOYSA-N 0 3 267.394 3.323 20 30 CGEDHN N#Cc1ccc(CN2CCCC3(CC(F)C3)CC2)cn1 ZINC001140546131 804458105 /nfs/dbraw/zinc/45/81/05/804458105.db2.gz VCGDSMSRTJTLFP-UHFFFAOYSA-N 0 3 273.355 3.057 20 30 CGEDHN C[C@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@@]1(C)O ZINC001140599773 804470879 /nfs/dbraw/zinc/47/08/79/804470879.db2.gz QLTNWFAHMVQEHP-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@]1(C)O ZINC001140599774 804471993 /nfs/dbraw/zinc/47/19/93/804471993.db2.gz QLTNWFAHMVQEHP-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN C=CCCN(Cc1ccc(CO)o1)Cc1ccccc1 ZINC001140682199 804489196 /nfs/dbraw/zinc/48/91/96/804489196.db2.gz ZWNHJQKWKHFZOO-UHFFFAOYSA-N 0 3 271.360 3.350 20 30 CGEDHN C=CCN(C)Cc1ccc(Br)c(OC)c1 ZINC001144232509 804959126 /nfs/dbraw/zinc/95/91/26/804959126.db2.gz YXPCUUPZIRAQBO-UHFFFAOYSA-N 0 3 270.170 3.076 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001144573988 805009647 /nfs/dbraw/zinc/00/96/47/805009647.db2.gz XEGLHOXSXBTGBA-CYBMUJFWSA-N 0 3 253.267 3.052 20 30 CGEDHN C#Cc1ccc(CN2CC[C@H](Oc3ncccc3C)C2)cc1 ZINC001144581726 805010457 /nfs/dbraw/zinc/01/04/57/805010457.db2.gz ZSZCXBIAXFCJIO-SFHVURJKSA-N 0 3 292.382 3.025 20 30 CGEDHN Cc1ccc(C#N)c(NC2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001249557275 805175640 /nfs/dbraw/zinc/17/56/40/805175640.db2.gz WSBVKROTTHNOAR-KRWDZBQOSA-N 0 3 297.402 3.047 20 30 CGEDHN N#Cc1cccc(CN2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001249681574 805208990 /nfs/dbraw/zinc/20/89/90/805208990.db2.gz WWESHDYZPNJFIU-JSGCOSHPSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCCCC(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001154927249 805510391 /nfs/dbraw/zinc/51/03/91/805510391.db2.gz KIZYKZWDHDCDPV-CQSZACIVSA-N 0 3 294.464 3.431 20 30 CGEDHN N#CC1CCC(N2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001256963719 807017548 /nfs/dbraw/zinc/01/75/48/807017548.db2.gz LGSOGSIWYGCDQG-HTAVTVPLSA-N 0 3 260.303 3.138 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001167583742 807209508 /nfs/dbraw/zinc/20/95/08/807209508.db2.gz PHAKSZWKGFQLSR-HIFRSBDPSA-N 0 3 298.858 3.051 20 30 CGEDHN N#CCCNC1CCC(OCc2ccccc2)CC1 ZINC001257817569 807222773 /nfs/dbraw/zinc/22/27/73/807222773.db2.gz AKKRRFQHQLDMFQ-UHFFFAOYSA-N 0 3 258.365 3.018 20 30 CGEDHN C=C1C[C@@H]2CC(N[C@@H]3c4ccccc4CNC3=O)C[C@H](C1)C2 ZINC001257888144 807239149 /nfs/dbraw/zinc/23/91/49/807239149.db2.gz YSFQSZKVROACTE-RWTLQYPYSA-N 0 3 296.414 3.082 20 30 CGEDHN C=CC1(CC(=O)NCCCNCC(=C)Cl)CCCCC1 ZINC001168182933 807337817 /nfs/dbraw/zinc/33/78/17/807337817.db2.gz TXXABMZPMYSKAW-UHFFFAOYSA-N 0 3 298.858 3.361 20 30 CGEDHN CCCCCCCCC[C@H](C)N(C)CC(=O)NC ZINC001258228814 807377825 /nfs/dbraw/zinc/37/78/25/807377825.db2.gz KGHMXUYIKULFIA-AWEZNQCLSA-N 0 3 256.434 3.193 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](c1ccc(F)cc1F)C1CC1 ZINC001168542846 807442188 /nfs/dbraw/zinc/44/21/88/807442188.db2.gz RHNUUCYSNORPGM-CJNGLKHVSA-N 0 3 281.346 3.333 20 30 CGEDHN N#CC[C@@H]1CCCN([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168733893 807498785 /nfs/dbraw/zinc/49/87/85/807498785.db2.gz DDRBKMWZNVDSBY-GXTWGEPZSA-N 0 3 274.795 3.433 20 30 CGEDHN CCC[C@@H](Cc1ccccc1)NC(=N)c1ccc(F)cn1 ZINC001258651429 807523542 /nfs/dbraw/zinc/52/35/42/807523542.db2.gz PSSKSMXZLNEIED-HNNXBMFYSA-N 0 3 285.366 3.337 20 30 CGEDHN C#CCOCCN(C)CCc1c(Cl)cccc1Cl ZINC001168932794 807540422 /nfs/dbraw/zinc/54/04/22/807540422.db2.gz LZOWWONBNWTTIL-UHFFFAOYSA-N 0 3 286.202 3.118 20 30 CGEDHN C=CCC[C@H](C)NCc1nc(Br)cs1 ZINC001258724275 807572275 /nfs/dbraw/zinc/57/22/75/807572275.db2.gz SJMXBMMIVGHVJT-QMMMGPOBSA-N 0 3 275.215 3.350 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001169720382 807697390 /nfs/dbraw/zinc/69/73/90/807697390.db2.gz RGAXBYIZQLUVBL-UONOGXRCSA-N 0 3 286.847 3.051 20 30 CGEDHN CCOC(=O)C1(C#N)CCN([C@@H](C)CCCC(C)C)CC1 ZINC001170088756 807753362 /nfs/dbraw/zinc/75/33/62/807753362.db2.gz ZCOYGUSFBWKDPE-HNNXBMFYSA-N 0 3 294.439 3.370 20 30 CGEDHN N#Cc1cc(NC(=O)C23CCCN2CCC3)ccc1C1CC1 ZINC001262106985 807823544 /nfs/dbraw/zinc/82/35/44/807823544.db2.gz XOVFDWXWDTVHMY-UHFFFAOYSA-N 0 3 295.386 3.003 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OCCC ZINC001263090556 807932814 /nfs/dbraw/zinc/93/28/14/807932814.db2.gz NYCQSKBNQADGRK-ZDUSSCGKSA-N 0 3 294.370 3.237 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(CCC)c1ccccc1 ZINC001263246344 807941128 /nfs/dbraw/zinc/94/11/28/807941128.db2.gz NSXBNSPEKFFTLA-ZBFHGGJFSA-N 0 3 294.826 3.288 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)C(C)(C)CC(C)(C)C ZINC001263332465 807948006 /nfs/dbraw/zinc/94/80/06/807948006.db2.gz QDPYBXHDPUXSGI-NSHDSACASA-N 0 3 261.369 3.059 20 30 CGEDHN N#CC1(CN[C@H]2CCc3c(Cl)cccc3C2)CCC1 ZINC001171013196 807959985 /nfs/dbraw/zinc/95/99/85/807959985.db2.gz MYHVXYIQPFWOHZ-ZDUSSCGKSA-N 0 3 274.795 3.481 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001263616540 807978794 /nfs/dbraw/zinc/97/87/94/807978794.db2.gz YUQMQEMTWWSXTF-MELADBBJSA-N 0 3 285.391 3.296 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@](C)(F)CCCC ZINC001263801723 808007061 /nfs/dbraw/zinc/00/70/61/808007061.db2.gz BSGLRHAJBSEARU-DOTOQJQBSA-N 0 3 298.446 3.404 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCOc2ccccc2C1 ZINC001171222018 808012789 /nfs/dbraw/zinc/01/27/89/808012789.db2.gz ZMHXIQMHVAJMJU-OAHLLOKOSA-N 0 3 292.382 3.384 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2CCCCCF)C1 ZINC001264370872 808060747 /nfs/dbraw/zinc/06/07/47/808060747.db2.gz LNIDYFNDRKYYLJ-OAHLLOKOSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)/C(C)=C/C ZINC001264508707 808076840 /nfs/dbraw/zinc/07/68/40/808076840.db2.gz KUFMCOYNLHCCAA-WZGFARJESA-N 0 3 298.858 3.312 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](CC)C(C)C)[C@H]1CC ZINC001264623789 808081363 /nfs/dbraw/zinc/08/13/63/808081363.db2.gz OXSOPVPDARYHKR-OWCLPIDISA-N 0 3 280.456 3.214 20 30 CGEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(CC[C@@H](C)F)C1 ZINC001266222028 808230637 /nfs/dbraw/zinc/23/06/37/808230637.db2.gz MMWNLHKCHYHGTH-ZBFHGGJFSA-N 0 3 296.430 3.084 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001266362059 808249255 /nfs/dbraw/zinc/24/92/55/808249255.db2.gz XMEKKKFLUVWCSI-CVEARBPZSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C=C ZINC001266491070 808275969 /nfs/dbraw/zinc/27/59/69/808275969.db2.gz BWYTZUFPKGEFMF-HRCADAONSA-N 0 3 290.451 3.229 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1CC(=C)C ZINC001266853542 808324231 /nfs/dbraw/zinc/32/42/31/808324231.db2.gz NPXDNUCWUZWSLK-JKSUJKDBSA-N 0 3 278.440 3.136 20 30 CGEDHN C[C@@H](CCCC#N)NCc1c(F)cc(F)cc1F ZINC001172483764 808346193 /nfs/dbraw/zinc/34/61/93/808346193.db2.gz TZAFGVZWXVSEDF-VIFPVBQESA-N 0 3 256.271 3.276 20 30 CGEDHN C[C@@H](CCCC#N)NCc1ccn(Cc2ccccc2)n1 ZINC001172488390 808349322 /nfs/dbraw/zinc/34/93/22/808349322.db2.gz MRBAPRSILBJVNM-HNNXBMFYSA-N 0 3 282.391 3.103 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001267750966 808483389 /nfs/dbraw/zinc/48/33/89/808483389.db2.gz LETHQMWDNCNPTM-JKSUJKDBSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)[C@@H](F)CC)C1 ZINC001267957187 808522029 /nfs/dbraw/zinc/52/20/29/808522029.db2.gz ZFHUEBYZVVNHHQ-CABCVRRESA-N 0 3 284.419 3.062 20 30 CGEDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC1(C#N)CCCC1 ZINC001173210018 808537427 /nfs/dbraw/zinc/53/74/27/808537427.db2.gz GQRSYNPVDOCJLQ-CYBMUJFWSA-N 0 3 287.363 3.199 20 30 CGEDHN CC(=O)[C@H](NC1CCC(CC#N)CC1)c1ccccc1 ZINC001173327511 808614649 /nfs/dbraw/zinc/61/46/49/808614649.db2.gz DHAXWDOGMLTVAA-PREGVCBESA-N 0 3 270.376 3.379 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(CC)(CC)CC)C1 ZINC001269286626 808663629 /nfs/dbraw/zinc/66/36/29/808663629.db2.gz AIFCYJBDCBFLAE-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN Cc1coc(Nc2ccccc2CN(C)C)c1C#N ZINC001173928868 808768236 /nfs/dbraw/zinc/76/82/36/808768236.db2.gz OAXDYTGUPSHISN-UHFFFAOYSA-N 0 3 255.321 3.265 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(C2CC2)c1 ZINC001272179097 808799791 /nfs/dbraw/zinc/79/97/91/808799791.db2.gz WNWZPEZEUHUQES-UHFFFAOYSA-N 0 3 286.419 3.144 20 30 CGEDHN C=CCCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001276802026 809032763 /nfs/dbraw/zinc/03/27/63/809032763.db2.gz WGENJCDYCIHIHL-SJLPKXTDSA-N 0 3 298.430 3.221 20 30 CGEDHN Cc1cnccc1Nc1ccc2nc(C#N)sc2c1 ZINC001174539105 809070925 /nfs/dbraw/zinc/07/09/25/809070925.db2.gz CYVKNWYLIZPNOF-UHFFFAOYSA-N 0 3 266.329 3.037 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001278501751 809137848 /nfs/dbraw/zinc/13/78/48/809137848.db2.gz YKRNUKNIAZNPGX-WBVHZDCISA-N 0 3 286.419 3.122 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)C(C)C)c1ccccc1CC ZINC001278969653 809159772 /nfs/dbraw/zinc/15/97/72/809159772.db2.gz NSERGRADLGSBJU-KRWDZBQOSA-N 0 3 288.435 3.228 20 30 CGEDHN CC#CCN1CCC([C@@H](C)NC(=O)CC[C@H](C)CC)CC1 ZINC001284700184 809315652 /nfs/dbraw/zinc/31/56/52/809315652.db2.gz PPSIDJCGYPSJAF-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCCC(C)C)CC1 ZINC001284700489 809315983 /nfs/dbraw/zinc/31/59/83/809315983.db2.gz WQFQNGMIQPEFFY-MRXNPFEDSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCC(=O)NCC1=CCN(Cc2ccccc2)CC1 ZINC001284958761 809320806 /nfs/dbraw/zinc/32/08/06/809320806.db2.gz AVWYOJIUPSMNGQ-UHFFFAOYSA-N 0 3 298.430 3.291 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(NC(=O)OC)cc2)cc1 ZINC001177283335 809792476 /nfs/dbraw/zinc/79/24/76/809792476.db2.gz WVBMDQSKKASIFJ-UHFFFAOYSA-N 0 3 294.354 3.136 20 30 CGEDHN C#CCC[C@@H](O)CNCc1ccc(-c2ccc(C)cc2)o1 ZINC001179489329 809924802 /nfs/dbraw/zinc/92/48/02/809924802.db2.gz JQGQJQAVKYROAN-MRXNPFEDSA-N 0 3 283.371 3.119 20 30 CGEDHN C#CCC1(NCc2ccccc2Br)CCC1 ZINC001179651949 809934887 /nfs/dbraw/zinc/93/48/87/809934887.db2.gz RYLXYWDPEXMXCR-UHFFFAOYSA-N 0 3 278.193 3.485 20 30 CGEDHN C=CC[C@H]1CCN(Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001183065626 810135931 /nfs/dbraw/zinc/13/59/31/810135931.db2.gz MZCHKYRYUWYEDP-LBPRGKRZSA-N 0 3 280.362 3.429 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)CCCCCCCCC)C1 ZINC001187367377 810396472 /nfs/dbraw/zinc/39/64/72/810396472.db2.gz NZVCAYKRXQBGFW-QGZVFWFLSA-N 0 3 292.467 3.341 20 30 CGEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C(CC)CC)[C@@H]2C1 ZINC001188396088 810480235 /nfs/dbraw/zinc/48/02/35/810480235.db2.gz IQYRTMPPVMVGEO-BHYGNILZSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@@H](NC/C=C/Cl)C2)CCCC1 ZINC001188490234 810484970 /nfs/dbraw/zinc/48/49/70/810484970.db2.gz LWOCPRWMCLUOHL-AZWQULSGSA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](CC)CCCC)[C@@H]2C1 ZINC001188616436 810493623 /nfs/dbraw/zinc/49/36/23/810493623.db2.gz DJNOXIMFHKQAHQ-YESZJQIVSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001190329985 810620526 /nfs/dbraw/zinc/62/05/26/810620526.db2.gz XHEVSTJMUYTQNP-KRWDZBQOSA-N 0 3 290.451 3.254 20 30 CGEDHN C#CCN(C/C=C(\C)COC)[C@@H]1CCc2ccccc21 ZINC001190530029 810632825 /nfs/dbraw/zinc/63/28/25/810632825.db2.gz YXERUTSWSIXZGK-HAZIXKIPSA-N 0 3 269.388 3.202 20 30 CGEDHN C#CCCCCCC(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001191721557 810733194 /nfs/dbraw/zinc/73/31/94/810733194.db2.gz YCLIUWXUDCXZDQ-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C#CCCCCCCN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC001191853625 810752470 /nfs/dbraw/zinc/75/24/70/810752470.db2.gz OOGLQRPSZPKWEO-GOSISDBHSA-N 0 3 298.430 3.307 20 30 CGEDHN C=C(C)[C@H](CO)N(C)CCOc1ccccc1C(C)(C)C ZINC001193914489 810979117 /nfs/dbraw/zinc/97/91/17/810979117.db2.gz UQTUFEJLIFZTIY-INIZCTEOSA-N 0 3 291.435 3.232 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cc(OC)ccc1Cl ZINC001193913565 810979352 /nfs/dbraw/zinc/97/93/52/810979352.db2.gz LVKGNSQCJIPYAY-UHFFFAOYSA-N 0 3 296.842 3.288 20 30 CGEDHN C=CC[C@@H](C)N1CCN(c2ccccc2F)C[C@H]1C ZINC001194020995 811003446 /nfs/dbraw/zinc/00/34/46/811003446.db2.gz UJVZBWJFJMEHSN-ZIAGYGMSSA-N 0 3 262.372 3.301 20 30 CGEDHN CCCCO[C@H]1C[C@@H](NCc2cc(C#N)ccn2)C1(C)C ZINC001194193614 811032168 /nfs/dbraw/zinc/03/21/68/811032168.db2.gz VOSPDASGFWPZND-CVEARBPZSA-N 0 3 287.407 3.027 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2oc(C)cc2C)CC1 ZINC001195444168 811255019 /nfs/dbraw/zinc/25/50/19/811255019.db2.gz NROKENACTXNAEB-UHFFFAOYSA-N 0 3 290.407 3.011 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001196880091 811374427 /nfs/dbraw/zinc/37/44/27/811374427.db2.gz GRYGGEQYZSTDGC-INIZCTEOSA-N 0 3 298.446 3.263 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@H](C)CCCCCC)CC1 ZINC001197519598 811426922 /nfs/dbraw/zinc/42/69/22/811426922.db2.gz PYAJRAPPWXKYGN-QGZVFWFLSA-N 0 3 292.467 3.151 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@H](C)CC(C)C)CC1 ZINC001197777516 811452183 /nfs/dbraw/zinc/45/21/83/811452183.db2.gz JWBUYRZFGGDKGH-MRXNPFEDSA-N 0 3 280.456 3.169 20 30 CGEDHN CCc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC001203011294 812217099 /nfs/dbraw/zinc/21/70/99/812217099.db2.gz BWHXKIWDUNEZRH-UHFFFAOYSA-N 0 3 250.345 3.410 20 30 CGEDHN C=CCN(Cc1ccccc1)Cc1cccc2nonc21 ZINC001203137614 812251038 /nfs/dbraw/zinc/25/10/38/812251038.db2.gz LYXALNDSAOOQGJ-UHFFFAOYSA-N 0 3 279.343 3.411 20 30 CGEDHN Cn1cccc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001203270331 812286726 /nfs/dbraw/zinc/28/67/26/812286726.db2.gz IKQFBXKVNXCZGG-UHFFFAOYSA-N 0 3 278.399 3.289 20 30 CGEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)(C)CC)C12CCC2 ZINC001203330982 812314002 /nfs/dbraw/zinc/31/40/02/812314002.db2.gz BDCDIYZGMVMMCZ-OLZOCXBDSA-N 0 3 298.858 3.192 20 30 CGEDHN CCOc1ccccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001203543644 812389759 /nfs/dbraw/zinc/38/97/59/812389759.db2.gz FYLFVAHCFCCXCT-MKZZRHPPSA-N 0 3 270.376 3.352 20 30 CGEDHN CSc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001204139039 812554268 /nfs/dbraw/zinc/55/42/68/812554268.db2.gz UPVZWMUQYYFDCR-AWEZNQCLSA-N 0 3 291.441 3.183 20 30 CGEDHN C[C@]1(F)CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001205459265 812986216 /nfs/dbraw/zinc/98/62/16/812986216.db2.gz KFHYLIJLFPUGML-HNNXBMFYSA-N 0 3 264.319 3.411 20 30 CGEDHN C[C@@H](c1ccccn1)N1CCC[C@@H](OCCCCC#N)C1 ZINC001205672103 813050033 /nfs/dbraw/zinc/05/00/33/813050033.db2.gz HWGNXQUEOOSMKM-JKSUJKDBSA-N 0 3 287.407 3.317 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2cccc(C)c2F)no1 ZINC001206094304 813198066 /nfs/dbraw/zinc/19/80/66/813198066.db2.gz GCBRLEJUENMERA-UHFFFAOYSA-N 0 3 287.338 3.293 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C)c(F)c2)no1 ZINC001206094662 813198090 /nfs/dbraw/zinc/19/80/90/813198090.db2.gz SWMKYRZJZAKRHL-UHFFFAOYSA-N 0 3 287.338 3.293 20 30 CGEDHN C#CCN(CC#C)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411871 813558935 /nfs/dbraw/zinc/55/89/35/813558935.db2.gz UOGVXBLVOXRDFK-SFHVURJKSA-N 0 3 287.447 3.223 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@@H](F)[C@@H](O)C1 ZINC001208120965 813697725 /nfs/dbraw/zinc/69/77/25/813697725.db2.gz XDZYDGQEKYMUAF-PQAPVRDISA-N 0 3 257.393 3.308 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@H](N(C)C(C)=O)C1 ZINC001208124548 813698361 /nfs/dbraw/zinc/69/83/61/813698361.db2.gz RYDVBJIICAELQV-DVQDXYAYSA-N 0 3 280.456 3.456 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCC[C@]3(CCC(=O)O3)C2)CC1 ZINC001208178173 813729458 /nfs/dbraw/zinc/72/94/58/813729458.db2.gz LVOZXWNVMCZQHX-AEFFLSMTSA-N 0 3 289.419 3.461 20 30 CGEDHN CC/C=C\CCN1CCN(c2cccc(C#N)c2)CC1 ZINC001208733055 813819564 /nfs/dbraw/zinc/81/95/64/813819564.db2.gz IHCSDHPKJWGYCW-ARJAWSKDSA-N 0 3 269.392 3.037 20 30 CGEDHN N#Cc1cccc(CCCN2CC3(C2)CC(F)(F)C3)c1 ZINC001208845692 813863840 /nfs/dbraw/zinc/86/38/40/813863840.db2.gz RFPJAJGXQDIKKO-UHFFFAOYSA-N 0 3 276.330 3.222 20 30 CGEDHN C=CCCCCCCN1Cc2cn(C)nc2[C@H](COC)C1 ZINC001209435013 814035385 /nfs/dbraw/zinc/03/53/85/814035385.db2.gz BXUKOLARMRBGFV-INIZCTEOSA-N 0 3 291.439 3.102 20 30 CGEDHN C=CCCCCCCCCN1CCN(CCC#N)CC1 ZINC001209444189 814043180 /nfs/dbraw/zinc/04/31/80/814043180.db2.gz NPCGBTJQONIALM-UHFFFAOYSA-N 0 3 277.456 3.434 20 30 CGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001211211954 814850255 /nfs/dbraw/zinc/85/02/55/814850255.db2.gz NGJQOUGODUZEBU-HZPDHXFCSA-N 0 3 292.467 3.053 20 30 CGEDHN C[C@H]1NC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217906904 815998005 /nfs/dbraw/zinc/99/80/05/815998005.db2.gz JTKWPJHZQIBFKP-INYHQCFRSA-N 0 3 266.344 3.142 20 30 CGEDHN C=C[C@H](C#CC(C)(C)C)Oc1cccc2c1CNC2 ZINC001218414280 816203623 /nfs/dbraw/zinc/20/36/23/816203623.db2.gz USTHODDQJJRZPS-CQSZACIVSA-N 0 3 255.361 3.273 20 30 CGEDHN N#Cc1ccc(Cl)cc1O[C@H]1CNCc2ccccc21 ZINC001218485571 816240212 /nfs/dbraw/zinc/24/02/12/816240212.db2.gz CNOSSZTYVVHSNE-INIZCTEOSA-N 0 3 284.746 3.435 20 30 CGEDHN C[C@@H]1CCN[C@@H](C(=O)Nc2sc3ccccc3c2C#N)C1 ZINC001218648848 816248781 /nfs/dbraw/zinc/24/87/81/816248781.db2.gz LHLFEMBQCSOENR-ZWNOBZJWSA-N 0 3 299.399 3.100 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(C)cs1 ZINC001218622144 816249131 /nfs/dbraw/zinc/24/91/31/816249131.db2.gz WDWPSAKVKQDSIF-LBPRGKRZSA-N 0 3 266.410 3.459 20 30 CGEDHN C=C(C)CCC(=O)N1CC[C@H]2CCN(C[C@H](F)CC)[C@H]2C1 ZINC001222790571 816518374 /nfs/dbraw/zinc/51/83/74/816518374.db2.gz ZQSVKVWZWAVCST-OAGGEKHMSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@](C)(CC)CCC)C[C@@H]21 ZINC001223763718 816678657 /nfs/dbraw/zinc/67/86/57/816678657.db2.gz IVOKIJXQVGMSKR-SOLBZPMBSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224282147 816767333 /nfs/dbraw/zinc/76/73/33/816767333.db2.gz QIJDCIIJFUBIEN-IYBDPMFKSA-N 0 3 267.413 3.003 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C(\C)C1CC1 ZINC001225111810 816945727 /nfs/dbraw/zinc/94/57/27/816945727.db2.gz FOAMVLXFVODNFE-IANUHJRKSA-N 0 3 296.842 3.112 20 30 CGEDHN N#Cc1ccc(Cl)cc1OC1CCN(C2CC2)CC1 ZINC001228084817 817807413 /nfs/dbraw/zinc/80/74/13/817807413.db2.gz REHLLMUHMSHRCM-UHFFFAOYSA-N 0 3 276.767 3.217 20 30 CGEDHN C#Cc1cccc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC001231659037 818150960 /nfs/dbraw/zinc/15/09/60/818150960.db2.gz DTYPXYSAOAMBML-GOSISDBHSA-N 0 3 262.356 3.400 20 30 CGEDHN C#Cc1cccc(CN2CCC(n3nccc3C)CC2)c1 ZINC001231661165 818152150 /nfs/dbraw/zinc/15/21/50/818152150.db2.gz PFCPHUNCYMLWME-UHFFFAOYSA-N 0 3 279.387 3.010 20 30 CGEDHN COc1cccc2[nH]cc(CN3CCC[C@H](C#N)CC3)c21 ZINC001232036278 818236772 /nfs/dbraw/zinc/23/67/72/818236772.db2.gz DAGBXBSPOUZVOC-ZDUSSCGKSA-N 0 3 283.375 3.302 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(C#N)c(Cl)c2)CC[C@@]1(C)O ZINC001232112423 818257887 /nfs/dbraw/zinc/25/78/87/818257887.db2.gz WAAUVVDAGHUHDU-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)c(Cl)c2)CCC[C@@]1(C)O ZINC001232111196 818259014 /nfs/dbraw/zinc/25/90/14/818259014.db2.gz BRFVGJGFCVBDNZ-BLLLJJGKSA-N 0 3 292.810 3.195 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)c(Cl)c2)CCC[C@]1(C)O ZINC001232111197 818259147 /nfs/dbraw/zinc/25/91/47/818259147.db2.gz BRFVGJGFCVBDNZ-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN N#Cc1ccnc(CN2CC[C@H](C3CCCCC3)C2)c1 ZINC001232478244 818363852 /nfs/dbraw/zinc/36/38/52/818363852.db2.gz IKCQAIZPIHFGHN-INIZCTEOSA-N 0 3 269.392 3.355 20 30 CGEDHN SC1CCN(Cc2ccc3ncsc3c2)CC1 ZINC001232743051 818430378 /nfs/dbraw/zinc/43/03/78/818430378.db2.gz JOYGJFAWENKRGT-UHFFFAOYSA-N 0 3 264.419 3.191 20 30 CGEDHN CCCCCCCN(C)Cc1ccnc(C(=O)OC)c1 ZINC001232770654 818435363 /nfs/dbraw/zinc/43/53/63/818435363.db2.gz PQXALVUDLZSONR-UHFFFAOYSA-N 0 3 278.396 3.270 20 30 CGEDHN Cc1ccc(CN2CCC[C@@H]2Cc2ccccn2)c(C#N)c1 ZINC001232966745 818485957 /nfs/dbraw/zinc/48/59/57/818485957.db2.gz UEHMMDNMQRYANW-LJQANCHMSA-N 0 3 291.398 3.469 20 30 CGEDHN CCCCN(CC)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233097537 818520738 /nfs/dbraw/zinc/52/07/38/818520738.db2.gz UEFAOQHSVIRSFT-UHFFFAOYSA-N 0 3 277.387 3.385 20 30 CGEDHN N#C[C@@H]1CCCN(Cc2cc3cccnc3s2)CC1 ZINC001233348503 818591745 /nfs/dbraw/zinc/59/17/45/818591745.db2.gz DYRHAROWKLMMGL-GFCCVEGCSA-N 0 3 271.389 3.422 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233539227 818635877 /nfs/dbraw/zinc/63/58/77/818635877.db2.gz NNYAQCIYTVSTPI-JCYILVPMSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001233915006 818730719 /nfs/dbraw/zinc/73/07/19/818730719.db2.gz JWVPLRNKOUXQOU-LBPRGKRZSA-N 0 3 296.798 3.046 20 30 CGEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001234030738 818762233 /nfs/dbraw/zinc/76/22/33/818762233.db2.gz WVMURAPBXVIHQP-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001234604694 818889841 /nfs/dbraw/zinc/88/98/41/818889841.db2.gz TXVYIFDMCOOOSK-FYCOFBDGSA-N 0 3 278.440 3.232 20 30 CGEDHN N#CCc1ccccc1CN1CC[C@H](C(F)(F)F)C1 ZINC001235522606 819113933 /nfs/dbraw/zinc/11/39/33/819113933.db2.gz HOERAZMGVWBYOF-ZDUSSCGKSA-N 0 3 268.282 3.137 20 30 CGEDHN N#CCc1ccccc1CN1CCC[C@@H]1c1ccncc1 ZINC001235523169 819114525 /nfs/dbraw/zinc/11/45/25/819114525.db2.gz MCIKBUWERQEAOI-GOSISDBHSA-N 0 3 277.371 3.485 20 30 CGEDHN N#Cc1cncnc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236233772 819394508 /nfs/dbraw/zinc/39/45/08/819394508.db2.gz UHOPGPKMLKVXET-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C#CC1CCN(Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237459476 819755705 /nfs/dbraw/zinc/75/57/05/819755705.db2.gz SZEPHCRFPZYJAV-UHFFFAOYSA-N 0 3 273.767 3.062 20 30 CGEDHN C[C@]1(CO)CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237745132 819833941 /nfs/dbraw/zinc/83/39/41/819833941.db2.gz CFTWKACBFTVEMG-INIZCTEOSA-N 0 3 292.810 3.196 20 30 CGEDHN CC(C)C1=NCCc2ccc(CN3CC[C@@](C)(C#N)C3)cc21 ZINC001237890115 819872919 /nfs/dbraw/zinc/87/29/19/819872919.db2.gz RFBICYKLPIISQP-IBGZPJMESA-N 0 3 295.430 3.423 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cc(C)c(C)cc2OC)C1 ZINC001238768609 820113240 /nfs/dbraw/zinc/11/32/40/820113240.db2.gz YHFJLOXFYDBIME-HNNXBMFYSA-N 0 3 257.377 3.157 20 30 CGEDHN N#Cc1cc(-c2ccc3c(c2)COC32CNC2)ccc1Cl ZINC001240404536 821025188 /nfs/dbraw/zinc/02/51/88/821025188.db2.gz ZFNPVGFFIYGBJA-UHFFFAOYSA-N 0 3 296.757 3.207 20 30 CGEDHN N#CCc1ccncc1C1=CCN(Cc2ccccc2)CC1 ZINC001241506884 821907113 /nfs/dbraw/zinc/90/71/13/821907113.db2.gz NAPDNZGWCRIMPR-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN COc1cccc(-c2ccc3c(c2)CN(C)CC3)c1C#N ZINC001242300853 822944603 /nfs/dbraw/zinc/94/46/03/822944603.db2.gz WDWXNYAUKMCFCH-UHFFFAOYSA-N 0 3 278.355 3.222 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN1C[C@@H](C)[C@H](C)C1 ZINC001474369879 937855557 /nfs/dbraw/zinc/85/55/57/937855557.db2.gz QYXSSYDODUVQOR-CHWSQXEVSA-N 0 3 277.795 3.440 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1c(C)[nH]nc1-c1ccccc1 ZINC001341749225 936449889 /nfs/dbraw/zinc/44/98/89/936449889.db2.gz SXICKNUCZKWOIC-CQSZACIVSA-N 0 3 298.390 3.007 20 30 CGEDHN C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC001341778243 936450880 /nfs/dbraw/zinc/45/08/80/936450880.db2.gz BCOLKYVKJDNOSW-WBVHZDCISA-N 0 3 284.403 3.178 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NCc1ccc2ccccc2c1 ZINC001343114657 936488875 /nfs/dbraw/zinc/48/88/75/936488875.db2.gz DNFHVXZJLBVLMH-KRWDZBQOSA-N 0 3 282.387 3.140 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC001343261746 936492491 /nfs/dbraw/zinc/49/24/91/936492491.db2.gz PHPVSXLDYYPNAM-LBPRGKRZSA-N 0 3 298.333 3.219 20 30 CGEDHN Cc1nc(C2CC2)ccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001344073742 936525238 /nfs/dbraw/zinc/52/52/38/936525238.db2.gz XUCSHIVNISRWHB-CYBMUJFWSA-N 0 3 295.317 3.292 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001345646657 936819771 /nfs/dbraw/zinc/81/97/71/936819771.db2.gz MFMWZHYYZZHINL-DOMZBBRYSA-N 0 3 299.349 3.412 20 30 CGEDHN CCC[C@H](CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346000060 936833847 /nfs/dbraw/zinc/83/38/47/936833847.db2.gz NQSFGKVKLIIRKK-ONGXEEELSA-N 0 3 266.291 3.362 20 30 CGEDHN N#CC[C@]1(O)CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC001346043055 936835275 /nfs/dbraw/zinc/83/52/75/936835275.db2.gz GISHTCMRHMLYIH-KRWDZBQOSA-N 0 3 298.411 3.266 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001346095970 936837930 /nfs/dbraw/zinc/83/79/30/936837930.db2.gz LWJTXTPECLXTDI-QLFBSQMISA-N 0 3 297.333 3.022 20 30 CGEDHN CC1(C)C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC001346537476 936852026 /nfs/dbraw/zinc/85/20/26/936852026.db2.gz LYGLFXOVGOXOGN-VXGBXAGGSA-N 0 3 298.342 3.209 20 30 CGEDHN C=CCCCCCN1CCC[C@H](NC(=O)[C@H](F)CC)C1 ZINC001479909531 936921925 /nfs/dbraw/zinc/92/19/25/936921925.db2.gz ZFHUEBYZVVNHHQ-LSDHHAIUSA-N 0 3 284.419 3.062 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccccc1F ZINC001349703448 936958978 /nfs/dbraw/zinc/95/89/78/936958978.db2.gz XKLCAJIUMNJAFN-JSGCOSHPSA-N 0 3 299.349 3.412 20 30 CGEDHN CC(C)[C@]1(C)C[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001350352541 936988520 /nfs/dbraw/zinc/98/85/20/936988520.db2.gz FCVIMDOFHUKDPT-HFAKWTLXSA-N 0 3 278.302 3.218 20 30 CGEDHN C=CCC1(C(=O)NCCN(CC=C(C)C)C2CC2)CCC1 ZINC001481184282 926902277 /nfs/dbraw/zinc/90/22/77/926902277.db2.gz FCRNXVCUQIPBOC-UHFFFAOYSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCCCC(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001481274748 926931631 /nfs/dbraw/zinc/93/16/31/926931631.db2.gz YIHBJUJQQLGASO-UHFFFAOYSA-N 0 3 292.398 3.038 20 30 CGEDHN C[C@H]1CC[C@@H]1NCc1cc(C#N)ccc1Br ZINC001355302122 937135364 /nfs/dbraw/zinc/13/53/64/937135364.db2.gz OBESIGGNRMPMOV-ZANVPECISA-N 0 3 279.181 3.209 20 30 CGEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C1CCC1 ZINC001482430693 927237960 /nfs/dbraw/zinc/23/79/60/927237960.db2.gz RWBSINJAXUWVLJ-GOSISDBHSA-N 0 3 298.430 3.078 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2occc2s1 ZINC001496781657 927365072 /nfs/dbraw/zinc/36/50/72/927365072.db2.gz XFGVUJFEIMFWFQ-UHFFFAOYSA-N 0 3 292.404 3.074 20 30 CGEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1csc(C)c1 ZINC001483044844 927395798 /nfs/dbraw/zinc/39/57/98/927395798.db2.gz SGUBDMXQYLLZCS-VOTSOKGWSA-N 0 3 292.448 3.031 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001483658117 927562669 /nfs/dbraw/zinc/56/26/69/927562669.db2.gz GLTRGVRXFPBXCD-IAGOWNOFSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(C)cccc1C ZINC001485068914 927799891 /nfs/dbraw/zinc/79/98/91/927799891.db2.gz ILLQEMNGLDYVGY-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)CC/C=C\c1ccccc1 ZINC001485352490 927851824 /nfs/dbraw/zinc/85/18/24/927851824.db2.gz ZWYZQPJQEBSAGU-LJEUOOAZSA-N 0 3 286.419 3.103 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001485387160 927862998 /nfs/dbraw/zinc/86/29/98/927862998.db2.gz DKTHLRSPAYNZNU-LSDHHAIUSA-N 0 3 288.435 3.436 20 30 CGEDHN C=CCN1C[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001485581464 927891172 /nfs/dbraw/zinc/89/11/72/927891172.db2.gz DNCMBAOQCMLOSV-GJZGRUSLSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCSC ZINC001230709712 928071527 /nfs/dbraw/zinc/07/15/27/928071527.db2.gz DKJIAPSMEABFQH-OAHLLOKOSA-N 0 3 298.496 3.019 20 30 CGEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCSC ZINC001230709711 928071873 /nfs/dbraw/zinc/07/18/73/928071873.db2.gz DKJIAPSMEABFQH-HNNXBMFYSA-N 0 3 298.496 3.019 20 30 CGEDHN CC(C)(CC#N)CNCc1cc2ccc(F)cc2[nH]c1=O ZINC001363413751 937231962 /nfs/dbraw/zinc/23/19/62/937231962.db2.gz LMALLXYVNUTXRV-UHFFFAOYSA-N 0 3 287.338 3.109 20 30 CGEDHN N#CC[C@H]1CCCN(Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001364994061 937234228 /nfs/dbraw/zinc/23/42/28/937234228.db2.gz MXFPWQXZRCDQOY-GFCCVEGCSA-N 0 3 299.349 3.205 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@@H]1CC2(CCC2)CO1 ZINC001459829978 937502398 /nfs/dbraw/zinc/50/23/98/937502398.db2.gz HNPYLJOMRMTNKV-INIZCTEOSA-N 0 3 275.392 3.269 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(C2CC2)c1 ZINC001157165599 931979401 /nfs/dbraw/zinc/97/94/01/931979401.db2.gz UFMVRYZMTOKHGC-OAHLLOKOSA-N 0 3 298.430 3.028 20 30 CGEDHN C#CCCCNc1ccc(F)c(CN2CCCC2)c1 ZINC001162446509 931988755 /nfs/dbraw/zinc/98/87/55/931988755.db2.gz IANDXAIVOTXJMB-UHFFFAOYSA-N 0 3 260.356 3.247 20 30 CGEDHN CN1CCC[C@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228997053 932067976 /nfs/dbraw/zinc/06/79/76/932067976.db2.gz WJUMZTWUUWPSLE-AWEZNQCLSA-N 0 3 272.392 3.329 20 30 CGEDHN CC(C)N1CC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229249940 932121371 /nfs/dbraw/zinc/12/13/71/932121371.db2.gz CRNPDDVMYHIADW-LBPRGKRZSA-N 0 3 264.756 3.073 20 30 CGEDHN CCC1=C(Oc2cccc([C@@H](C)N(C)C)c2)C(=O)[C@H](C)O1 ZINC001229628674 932180527 /nfs/dbraw/zinc/18/05/27/932180527.db2.gz WCOXPVLWHOFJTR-NEPJUHHUSA-N 0 3 289.375 3.297 20 30 CGEDHN C#CCN1CCC[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC001461751236 937595879 /nfs/dbraw/zinc/59/58/79/937595879.db2.gz FJVIEXXSEVRTIH-AWEZNQCLSA-N 0 3 297.229 3.181 20 30 CGEDHN C=C[C@@H](C#CC(C)(C)C)Oc1ccc2[nH]c(N)nc2c1 ZINC001230517964 932582342 /nfs/dbraw/zinc/58/23/42/932582342.db2.gz JHSFMDZZPGVOLW-NSHDSACASA-N 0 3 269.348 3.128 20 30 CGEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CCC ZINC001230633998 932601256 /nfs/dbraw/zinc/60/12/56/932601256.db2.gz OVJAEYNGGIYBBE-HNNXBMFYSA-N 0 3 268.445 3.290 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001230757920 932619914 /nfs/dbraw/zinc/61/99/14/932619914.db2.gz CYXITQQPZCOWAI-MRXNPFEDSA-N 0 3 292.423 3.396 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(CSC)cc1 ZINC001462193329 937623986 /nfs/dbraw/zinc/62/39/86/937623986.db2.gz UYEODHFNMOYZAH-UHFFFAOYSA-N 0 3 265.422 3.184 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCc3c2cc(F)cc3F)C1 ZINC001254643860 932725469 /nfs/dbraw/zinc/72/54/69/932725469.db2.gz NWGMEZGWYKKTIR-VPJDZLOFSA-N 0 3 262.303 3.234 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)[C@H]1CC ZINC001316739842 932877450 /nfs/dbraw/zinc/87/74/50/932877450.db2.gz VSAATAFRQKVQMP-HRCADAONSA-N 0 3 280.456 3.214 20 30 CGEDHN C#CCN(CCOCC1CCC1)[C@@H]1CCc2ccccc21 ZINC001307430859 932951617 /nfs/dbraw/zinc/95/16/17/932951617.db2.gz NZXCSCHLRWJAGI-LJQANCHMSA-N 0 3 283.415 3.426 20 30 CGEDHN C=CCCCCN1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC001307924723 933021601 /nfs/dbraw/zinc/02/16/01/933021601.db2.gz KOUWANKYOPKHBC-INIZCTEOSA-N 0 3 283.387 3.100 20 30 CGEDHN CC(C)(CNCc1cccc(F)c1C#N)C1=CCOCC1 ZINC001462665267 937657930 /nfs/dbraw/zinc/65/79/30/937657930.db2.gz SGMYWXNBRYKDPD-UHFFFAOYSA-N 0 3 288.366 3.160 20 30 CGEDHN C=C(C)[C@H](N[C@@H]1CCCN(C)C1)c1ccc(F)c(F)c1 ZINC001308698204 933160405 /nfs/dbraw/zinc/16/04/05/933160405.db2.gz YTEOYXHGPLPRAD-CJNGLKHVSA-N 0 3 280.362 3.266 20 30 CGEDHN C=CCN(CCOC)Cc1c(C)cc(C)c(COC)c1C ZINC001308741581 933168094 /nfs/dbraw/zinc/16/80/94/933168094.db2.gz JBTYJPNMVUGJAM-UHFFFAOYSA-N 0 3 291.435 3.393 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCCCC ZINC001316802292 933482289 /nfs/dbraw/zinc/48/22/89/933482289.db2.gz AJDUUPFIFMCIEG-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1 ZINC001317038232 933518868 /nfs/dbraw/zinc/51/88/68/933518868.db2.gz HAENBLQYQYISCZ-IUCKJTJTSA-N 0 3 298.858 3.122 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001317415367 933589755 /nfs/dbraw/zinc/58/97/55/933589755.db2.gz KLNKRZGCMFZIBF-ZBFHGGJFSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(C)CN(CCNC(=O)C1(C)CCCCC1)C1CC1 ZINC001317557155 933620001 /nfs/dbraw/zinc/62/00/01/933620001.db2.gz WVMBBHVEEXTHPC-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN[C@H](CNC(=O)C(C)(C)CC=C)c1ccccc1 ZINC001317725751 933638703 /nfs/dbraw/zinc/63/87/03/933638703.db2.gz XNRXIRDTWMJBJK-MRXNPFEDSA-N 0 3 286.419 3.222 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001318193146 933693528 /nfs/dbraw/zinc/69/35/28/933693528.db2.gz OEAURIJMIAJMBS-IRXDYDNUSA-N 0 3 290.451 3.352 20 30 CGEDHN CCCCCCCN1CC[C@H](NC(=O)c2cocc2C)C1 ZINC001318269786 933703384 /nfs/dbraw/zinc/70/33/84/933703384.db2.gz ZKVLGCFNKBLRDF-HNNXBMFYSA-N 0 3 292.423 3.363 20 30 CGEDHN C#CCCCCCC(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1 ZINC001318480276 933732896 /nfs/dbraw/zinc/73/28/96/933732896.db2.gz VGKOBONFCGKBND-QGZVFWFLSA-N 0 3 290.451 3.069 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)C2CCC2)CCCC1 ZINC001318636525 933757095 /nfs/dbraw/zinc/75/70/95/933757095.db2.gz IVKUITVXVSXDPJ-ZDUSSCGKSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C[C@H]1CCCC[C@H]1C ZINC001467727614 937721445 /nfs/dbraw/zinc/72/14/45/937721445.db2.gz MYEGIAVLUSQUIL-HZPDHXFCSA-N 0 3 280.456 3.169 20 30 CGEDHN CS[C@@H]1CC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC001319462779 933881364 /nfs/dbraw/zinc/88/13/64/933881364.db2.gz LZFJEAKTEFXLQR-HZPDHXFCSA-N 0 3 277.408 3.393 20 30 CGEDHN CS[C@H]1CC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC001319462776 933881828 /nfs/dbraw/zinc/88/18/28/933881828.db2.gz LZFJEAKTEFXLQR-HOTGVXAUSA-N 0 3 277.408 3.393 20 30 CGEDHN COCC#CCN1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001319582457 933895498 /nfs/dbraw/zinc/89/54/98/933895498.db2.gz GTLLSARCFQEAOE-QZTJIDSGSA-N 0 3 269.388 3.038 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)CCC)C(C)C ZINC001319945472 933963176 /nfs/dbraw/zinc/96/31/76/933963176.db2.gz XGOJHFKPOLNCPC-ZDUSSCGKSA-N 0 3 288.863 3.296 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@](C)(CC)CCC ZINC001320068281 933992778 /nfs/dbraw/zinc/99/27/78/933992778.db2.gz YHEKONSFHNEMPK-INIZCTEOSA-N 0 3 268.445 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(C2CCC2)CCC1 ZINC001320502571 934058016 /nfs/dbraw/zinc/05/80/16/934058016.db2.gz JXRKLVQITHEJBS-ZDUSSCGKSA-N 0 3 298.858 3.194 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(CC)cc1 ZINC001320628403 934076265 /nfs/dbraw/zinc/07/62/65/934076265.db2.gz WCQMHYKRDKXFIW-ZDUSSCGKSA-N 0 3 294.826 3.100 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC001320998572 934132362 /nfs/dbraw/zinc/13/23/62/934132362.db2.gz DPLLQMWSAPXIGX-LRDDRELGSA-N 0 3 275.392 3.208 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@H](C)CC(C)(C)C ZINC001322248131 934262644 /nfs/dbraw/zinc/26/26/44/934262644.db2.gz IYZXTXDJTXWVLF-KBPBESRZSA-N 0 3 268.445 3.071 20 30 CGEDHN C#CCN(CC)CCc1cccc(Cl)c1Cl ZINC001473207566 937797292 /nfs/dbraw/zinc/79/72/92/937797292.db2.gz VMHUCRLXWFSBQX-UHFFFAOYSA-N 0 3 256.176 3.491 20 30 CGEDHN CC[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC001473402819 937804973 /nfs/dbraw/zinc/80/49/73/937804973.db2.gz MZUOWPXBLZCRMW-YPMHNXCESA-N 0 3 273.336 3.087 20 30 CGEDHN C(=NOCCC1CC1)c1ccc(N2CCCC2)cc1 ZINC001324883614 934867871 /nfs/dbraw/zinc/86/78/71/934867871.db2.gz HTBCDHXWYNNFMO-UHFFFAOYSA-N 0 3 258.365 3.437 20 30 CGEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCCC(C)C)C1 ZINC001324961844 934876344 /nfs/dbraw/zinc/87/63/44/934876344.db2.gz VIFHGAIUKFJXMQ-SFHVURJKSA-N 0 3 292.467 3.054 20 30 CGEDHN N#CCC1CCN(CCc2ccc(F)cc2F)CC1 ZINC001325159624 934891254 /nfs/dbraw/zinc/89/12/54/934891254.db2.gz VHVBJDLNVFPEAQ-UHFFFAOYSA-N 0 3 264.319 3.133 20 30 CGEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C=C1CCC1 ZINC001326449154 934980683 /nfs/dbraw/zinc/98/06/83/934980683.db2.gz HJWJNXLSLUHHSS-UHFFFAOYSA-N 0 3 298.430 3.421 20 30 CGEDHN C#CCCN1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001473681823 937816916 /nfs/dbraw/zinc/81/69/16/937816916.db2.gz RGNAJPNPJRCRNH-UHFFFAOYSA-N 0 3 293.414 3.280 20 30 CGEDHN C#CCN1CCC[C@H](NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001327172569 935039774 /nfs/dbraw/zinc/03/97/74/935039774.db2.gz LAPZAFDVBPHRNY-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN CCCN1Cc2ccc(CNC(=O)C#CC(C)(C)C)cc2C1 ZINC001327685568 935077200 /nfs/dbraw/zinc/07/72/00/935077200.db2.gz QFSVCHZYLKBEOI-UHFFFAOYSA-N 0 3 298.430 3.078 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC001328786093 935168851 /nfs/dbraw/zinc/16/88/51/935168851.db2.gz MEHOHPSLRLDEQH-HNNXBMFYSA-N 0 3 292.810 3.062 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)C[C@H](C)c1ccccc1C ZINC001329571086 935228217 /nfs/dbraw/zinc/22/82/17/935228217.db2.gz GIOFEFGCIMYXOO-JKSUJKDBSA-N 0 3 288.435 3.111 20 30 CGEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)C(C)(C)C ZINC001330600672 935302005 /nfs/dbraw/zinc/30/20/05/935302005.db2.gz FLTFPPRQVHEVLU-UHFFFAOYSA-N 0 3 287.407 3.054 20 30 CGEDHN C=C[C@H](COC)NCc1cc2nc(Cl)ccc2s1 ZINC001330641600 935307344 /nfs/dbraw/zinc/30/73/44/935307344.db2.gz XCRKCUCOBOLOTI-SECBINFHSA-N 0 3 282.796 3.240 20 30 CGEDHN Cc1ccc(CN[C@@H]2CCCc3ncccc32)cc1C#N ZINC001332906704 935496255 /nfs/dbraw/zinc/49/62/55/935496255.db2.gz OJOSQBCOTUAHMZ-GOSISDBHSA-N 0 3 277.371 3.429 20 30 CGEDHN C[C@H](COc1ccccc1F)N[C@H](C)c1cc(C#N)ccn1 ZINC001333150858 935514250 /nfs/dbraw/zinc/51/42/50/935514250.db2.gz UBQQGMRNVGHDCE-CHWSQXEVSA-N 0 3 299.349 3.210 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001335919942 936167453 /nfs/dbraw/zinc/16/74/53/936167453.db2.gz KTPGIJDZLFEBSY-DOTOQJQBSA-N 0 3 286.419 3.122 20 30 CGEDHN Cc1csc(CCCNCc2cccc(F)c2C#N)n1 ZINC001336719633 936209902 /nfs/dbraw/zinc/20/99/02/936209902.db2.gz DTEQBFGLEZBHRT-UHFFFAOYSA-N 0 3 289.379 3.185 20 30 CGEDHN N#Cc1ccc(CNCCc2coc(-c3ccccc3)n2)o1 ZINC001337261222 936246940 /nfs/dbraw/zinc/24/69/40/936246940.db2.gz HSLUTESWLICOLZ-UHFFFAOYSA-N 0 3 293.326 3.139 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCCC)cc2)C1 ZINC001337720410 936283574 /nfs/dbraw/zinc/28/35/74/936283574.db2.gz ARTKSVRQKWVLJT-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C[C@H](COC)NCc1ccc(OCCC(C)C)cc1 ZINC001338093494 936306019 /nfs/dbraw/zinc/30/60/19/936306019.db2.gz ISQJVERBBWBMOH-MRXNPFEDSA-N 0 3 277.408 3.402 20 30 CGEDHN COc1cc(CNCc2ccc(C)c(C#N)c2)ccc1F ZINC001474264087 937847104 /nfs/dbraw/zinc/84/71/04/937847104.db2.gz OKEVLMNQMQOCNA-UHFFFAOYSA-N 0 3 284.334 3.304 20 30 CGEDHN CCCCCCCCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC001477451341 937895550 /nfs/dbraw/zinc/89/55/50/937895550.db2.gz YFBKQFHYYXZTTB-MRXNPFEDSA-N 0 3 297.487 3.473 20 30 CGEDHN C=CCCCC(=O)N1CCC[C@H](CN(C)C[C@H](F)CC)C1 ZINC001480085416 937932048 /nfs/dbraw/zinc/93/20/48/937932048.db2.gz RBJCDYRULUHGKU-HZPDHXFCSA-N 0 3 298.446 3.261 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCCCC1(C)C)C1CC1 ZINC001493452860 937950517 /nfs/dbraw/zinc/95/05/17/937950517.db2.gz ZIIAFNIBDUEXHZ-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(CCNC(=O)c1cc2cccc(C)c2o1)C1CC1 ZINC001493451342 937950707 /nfs/dbraw/zinc/95/07/07/937950707.db2.gz ZASOYIUEAVFQQW-UHFFFAOYSA-N 0 3 298.386 3.121 20 30 CGEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CC12CCCC2)c1ccccc1 ZINC001493901659 937951852 /nfs/dbraw/zinc/95/18/52/937951852.db2.gz WQSNSPVEWIPUFV-IRXDYDNUSA-N 0 3 298.430 3.200 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C(CC)CC)C1 ZINC001493937940 937952123 /nfs/dbraw/zinc/95/21/23/937952123.db2.gz BZFPTMCCQZWICJ-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)CCC)C1 ZINC001493942789 937952288 /nfs/dbraw/zinc/95/22/88/937952288.db2.gz RJSIAYFZQLVLQQ-DLBZAZTESA-N 0 3 292.467 3.149 20 30 CGEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)C)C1 ZINC001494666866 937955556 /nfs/dbraw/zinc/95/55/56/937955556.db2.gz CRRUHDBOXAGZML-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001496384681 937962335 /nfs/dbraw/zinc/96/23/35/937962335.db2.gz AHLCFLFLSFAPTL-HFBDAHEESA-N 0 3 298.858 3.456 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001499111809 937972424 /nfs/dbraw/zinc/97/24/24/937972424.db2.gz ISAKVLCCUJCMLZ-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001502135016 937981226 /nfs/dbraw/zinc/98/12/26/937981226.db2.gz FPBXCWPXODXNFM-GJZGRUSLSA-N 0 3 284.419 3.062 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001506563055 937990734 /nfs/dbraw/zinc/99/07/34/937990734.db2.gz WRDCUCOQEHBPFO-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001506567054 937990863 /nfs/dbraw/zinc/99/08/63/937990863.db2.gz XKIOUMLKMPTZRR-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(C)cc1 ZINC001517065463 938010932 /nfs/dbraw/zinc/01/09/32/938010932.db2.gz ZHHDNJYNYKKVPK-OAHLLOKOSA-N 0 3 281.359 3.021 20 30 CGEDHN C=C(CC(C)C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC001520995691 938029051 /nfs/dbraw/zinc/02/90/51/938029051.db2.gz TXBRXGJIKNQLCB-UHFFFAOYSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CC[C@H](C(=O)OC)N1CC[C@@H](C2CCCCC2)C1 ZINC001559977384 938240544 /nfs/dbraw/zinc/24/05/44/938240544.db2.gz SYLRKKOXJIZSDY-HUUCEWRRSA-N 0 3 265.397 3.006 20 30 CGEDHN C[C@@H](NCc1cccc(C#N)c1F)c1ccccc1O ZINC001560075241 938243051 /nfs/dbraw/zinc/24/30/51/938243051.db2.gz YHJYXQKQYDIDKS-LLVKDONJSA-N 0 3 270.307 3.254 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccc(OC)c(C(C)(C)C)c1 ZINC001560793746 938276474 /nfs/dbraw/zinc/27/64/74/938276474.db2.gz YVQBRRJIGUHYEQ-CYBMUJFWSA-N 0 3 259.393 3.446 20 30 CGEDHN C=C(C)CCC(=O)N(CC)CCNCc1csc(C)c1 ZINC001568746125 960447514 /nfs/dbraw/zinc/44/75/14/960447514.db2.gz RJDBDLBWDXCPDT-UHFFFAOYSA-N 0 3 294.464 3.351 20 30 CGEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCCC(C)(C)C)C1 ZINC001571478376 960466762 /nfs/dbraw/zinc/46/67/62/960466762.db2.gz CWGKFHFFPQAXAT-HZPDHXFCSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CC(C)(C)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC001565126693 960742490 /nfs/dbraw/zinc/74/24/90/960742490.db2.gz BYMWLXLHUDDZBU-UHFFFAOYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](CC)CCC)C1 ZINC001565854206 960849701 /nfs/dbraw/zinc/84/97/01/960849701.db2.gz VRJRMHVZZLQKBG-MELADBBJSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN[C@@H](CNC(=O)C[C@@H]1CC=CCC1)c1ccccc1 ZINC001567663931 961390662 /nfs/dbraw/zinc/39/06/62/961390662.db2.gz TXGLWMRJJBLTPT-AEFFLSMTSA-N 0 3 298.430 3.366 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)/C=C\C1CCCCC1 ZINC001568551648 961614206 /nfs/dbraw/zinc/61/42/06/961614206.db2.gz NGUBVEMLQZZLAC-QXMHVHEDSA-N 0 3 278.440 3.089 20 30 CGEDHN C=CC(C)(C)C(=O)NCc1ccc([C@@H](C)NCC#CC)cc1 ZINC001570031758 961885838 /nfs/dbraw/zinc/88/58/38/961885838.db2.gz UORIYGMQTDATKX-OAHLLOKOSA-N 0 3 298.430 3.189 20 30 CGEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)C2CCC2)CC1 ZINC001570499579 961981678 /nfs/dbraw/zinc/98/16/78/961981678.db2.gz XIYPIVUEQJJSHD-UHFFFAOYSA-N 0 3 298.858 3.100 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CN(C)CC=C(C)C ZINC001570537711 961985456 /nfs/dbraw/zinc/98/54/56/961985456.db2.gz FYHPTDJQUMRMOE-DLBZAZTESA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)CCCCC(C)C)C2)C1 ZINC001571048623 962116255 /nfs/dbraw/zinc/11/62/55/962116255.db2.gz GZPIUUJXGQICTC-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)CC(C)C)[C@@H]1C ZINC001571525673 962175824 /nfs/dbraw/zinc/17/58/24/962175824.db2.gz VQIYWUMNRFBYKK-HOTGVXAUSA-N 0 3 292.467 3.051 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)[C@H](C)CCC)c(F)c1 ZINC001571702476 962212548 /nfs/dbraw/zinc/21/25/48/962212548.db2.gz WJYFMGNMMSAUGC-CYBMUJFWSA-N 0 3 292.398 3.154 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)[C@H](C)CC ZINC001573341925 962251044 /nfs/dbraw/zinc/25/10/44/962251044.db2.gz RFLHMEGJPJSDDL-KGLIPLIRSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)[C@H](C)CC ZINC001573341925 962251061 /nfs/dbraw/zinc/25/10/61/962251061.db2.gz RFLHMEGJPJSDDL-KGLIPLIRSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)[C@H](C)CC ZINC001573341925 962251089 /nfs/dbraw/zinc/25/10/89/962251089.db2.gz RFLHMEGJPJSDDL-KGLIPLIRSA-N 0 3 299.422 3.289 20 30 CGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)[C@H](C)CC ZINC001573341925 962251123 /nfs/dbraw/zinc/25/11/23/962251123.db2.gz RFLHMEGJPJSDDL-KGLIPLIRSA-N 0 3 299.422 3.289 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@@H](C)OC[C@@H]1CC ZINC001577426576 962547728 /nfs/dbraw/zinc/54/77/28/962547728.db2.gz SBJSYYUHLJFDNU-PMPSAXMXSA-N 0 3 298.471 3.090 20 30 CGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCCCC2 ZINC001580050966 962691176 /nfs/dbraw/zinc/69/11/76/962691176.db2.gz UJJNEXOHGLFKDQ-QGZVFWFLSA-N 0 3 299.418 3.305 20 30 CGEDHN C=CC(C)(C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588487374 963276645 /nfs/dbraw/zinc/27/66/45/963276645.db2.gz QOPQTGHSCRHSNC-UHFFFAOYSA-N 0 3 299.422 3.257 20 30 CGEDHN C=CC(C)(C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588487374 963276657 /nfs/dbraw/zinc/27/66/57/963276657.db2.gz QOPQTGHSCRHSNC-UHFFFAOYSA-N 0 3 299.422 3.257 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588456224 963280637 /nfs/dbraw/zinc/28/06/37/963280637.db2.gz JCTAXXJXKGZTSS-VBNZEHGJSA-N 0 3 295.390 3.111 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588456224 963280648 /nfs/dbraw/zinc/28/06/48/963280648.db2.gz JCTAXXJXKGZTSS-VBNZEHGJSA-N 0 3 295.390 3.111 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588456224 963280655 /nfs/dbraw/zinc/28/06/55/963280655.db2.gz JCTAXXJXKGZTSS-VBNZEHGJSA-N 0 3 295.390 3.111 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588456224 963280663 /nfs/dbraw/zinc/28/06/63/963280663.db2.gz JCTAXXJXKGZTSS-VBNZEHGJSA-N 0 3 295.390 3.111 20 30 CGEDHN C=CCCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588596625 963291969 /nfs/dbraw/zinc/29/19/69/963291969.db2.gz XFSLXOZVUVZVDA-MRXNPFEDSA-N 0 3 297.406 3.190 20 30 CGEDHN C=CCCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588596625 963291980 /nfs/dbraw/zinc/29/19/80/963291980.db2.gz XFSLXOZVUVZVDA-MRXNPFEDSA-N 0 3 297.406 3.190 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2OC(F)F)cc1F ZINC000337397971 214053072 /nfs/dbraw/zinc/05/30/72/214053072.db2.gz JNHGLHONSZNJJV-KBPBESRZSA-N 0 3 298.308 3.337 20 30 CGEDHN C=C(C)CCNCc1ccnn1CCc1ccccc1 ZINC000621359295 349506921 /nfs/dbraw/zinc/50/69/21/349506921.db2.gz BLCDFGVYPWHGGZ-UHFFFAOYSA-N 0 3 269.392 3.182 20 30 CGEDHN C=CC[C@H]1CC[C@@H](NCc2cn3ccc(C)cc3n2)C1 ZINC000651705490 398272083 /nfs/dbraw/zinc/27/20/83/398272083.db2.gz UXPZGXFYENMHHG-LSDHHAIUSA-N 0 3 269.392 3.477 20 30 CGEDHN C=C(C)COCCNCc1cn(-c2cccc(C)c2)nc1C ZINC000651734724 398278193 /nfs/dbraw/zinc/27/81/93/398278193.db2.gz SHOPDNLIPJFZTQ-UHFFFAOYSA-N 0 3 299.418 3.171 20 30 CGEDHN C=CCCCCNCc1cc(F)c(OC)cc1OC ZINC000651764733 398285077 /nfs/dbraw/zinc/28/50/77/398285077.db2.gz MLJLPUKWAKHUSJ-UHFFFAOYSA-N 0 3 267.344 3.289 20 30 CGEDHN N#Cc1ccc(OCCN2CCC[C@H]2c2ccncc2)cc1 ZINC000125560296 187191451 /nfs/dbraw/zinc/19/14/51/187191451.db2.gz QVHVCLGJFBVFGY-SFHVURJKSA-N 0 3 293.370 3.169 20 30 CGEDHN CCCCO[C@H]1C[C@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590739102 346871008 /nfs/dbraw/zinc/87/10/08/346871008.db2.gz GNBUHKITQCOKOO-HOTGVXAUSA-N 0 3 287.407 3.027 20 30 CGEDHN C[C@@H](CCC#N)N1CCCO[C@@H](c2ccccc2)C1 ZINC000591013291 346894679 /nfs/dbraw/zinc/89/46/79/346894679.db2.gz WOCJZDNIGNEHKL-GOEBONIOSA-N 0 3 258.365 3.142 20 30 CGEDHN C[C@@H](CCC#N)N1CCS[C@@H](c2ccccc2)C1 ZINC000591014872 346894113 /nfs/dbraw/zinc/89/41/13/346894113.db2.gz QLTLFMIRLROXLT-DZGCQCFKSA-N 0 3 260.406 3.469 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCc2cccc(Cl)c2C1 ZINC000591260737 346912772 /nfs/dbraw/zinc/91/27/72/346912772.db2.gz TVXWXGKZLMVLQF-CHWSQXEVSA-N 0 3 262.784 3.479 20 30 CGEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@H](O)C(C)C ZINC000414297311 529666976 /nfs/dbraw/zinc/66/69/76/529666976.db2.gz PPRMNEAORBACTK-XFBWCDHKSA-N 0 3 278.371 3.143 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3c2cc(F)cc3F)C1 ZINC000591610837 346930853 /nfs/dbraw/zinc/93/08/53/346930853.db2.gz NWGMEZGWYKKTIR-ISOBSLSZSA-N 0 3 262.303 3.234 20 30 CGEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849431 346943082 /nfs/dbraw/zinc/94/30/82/346943082.db2.gz XMWOCAPRYVLCCF-SFHVURJKSA-N 0 3 299.462 3.260 20 30 CGEDHN CC[C@H](C)[C@@H]1CCCCN1Cc1ccncc1C#N ZINC000592072540 346960153 /nfs/dbraw/zinc/96/01/53/346960153.db2.gz PQYIJRYFIZQRDJ-BBRMVZONSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@@H](c1ccc2ccccc2c1)N1CC[C@](O)(CC#N)C1 ZINC000592150901 346966989 /nfs/dbraw/zinc/96/69/89/346966989.db2.gz JIUDGVDPEVSEOT-KBXCAEBGSA-N 0 3 280.371 3.251 20 30 CGEDHN C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@@](O)(CC#N)C1 ZINC000592151838 346967620 /nfs/dbraw/zinc/96/76/20/346967620.db2.gz RSDVIQVELOOVJU-KSSFIOAISA-N 0 3 286.419 3.396 20 30 CGEDHN CN(CCSCc1ccncc1C#N)Cc1ccccc1 ZINC000592349830 346977346 /nfs/dbraw/zinc/97/73/46/346977346.db2.gz GJGAXFJOELCJEB-UHFFFAOYSA-N 0 3 297.427 3.318 20 30 CGEDHN C[C@@H]1CC2(CN1Cc1ccc(C#N)c(F)c1)CCOCC2 ZINC000592182550 346970152 /nfs/dbraw/zinc/97/01/52/346970152.db2.gz DCSVOEKLFRRJIG-CYBMUJFWSA-N 0 3 288.366 3.088 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000592392098 346982243 /nfs/dbraw/zinc/98/22/43/346982243.db2.gz AEJQTFXZDRPDNO-CMPLNLGQSA-N 0 3 294.301 3.180 20 30 CGEDHN CCC(CC)N(CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593028694 347029411 /nfs/dbraw/zinc/02/94/11/347029411.db2.gz KVXAIIRSRWBUFH-UHFFFAOYSA-N 0 3 275.352 3.477 20 30 CGEDHN Cc1c2cccc(C)c2oc1CN(C)CCOCCC#N ZINC000593087250 347037806 /nfs/dbraw/zinc/03/78/06/347037806.db2.gz HRRFXLLQDORUOJ-UHFFFAOYSA-N 0 3 286.375 3.412 20 30 CGEDHN CN(CCCC#N)Cc1ccc(OC(F)F)cc1 ZINC000052922915 345111136 /nfs/dbraw/zinc/11/11/36/345111136.db2.gz YIUYRTJTFKDNIV-UHFFFAOYSA-N 0 3 254.280 3.024 20 30 CGEDHN CCN(CC)[C@@H](CNc1ccc(C#N)cn1)c1ccco1 ZINC000064114329 345257096 /nfs/dbraw/zinc/25/70/96/345257096.db2.gz YAFSNAHSVBJQFJ-AWEZNQCLSA-N 0 3 284.363 3.041 20 30 CGEDHN N#Cc1ccccc1N1CCN(CC2CCCCC2)CC1 ZINC000064129198 345257304 /nfs/dbraw/zinc/25/73/04/345257304.db2.gz SRVBHWCDZFUGIY-UHFFFAOYSA-N 0 3 283.419 3.261 20 30 CGEDHN CCCN(CCn1nc(C)cc1C)Cc1ccc(C#N)cc1 ZINC000068808406 345363915 /nfs/dbraw/zinc/36/39/15/345363915.db2.gz GMNREGUYEFZPKS-UHFFFAOYSA-N 0 3 296.418 3.284 20 30 CGEDHN C=CCOc1ccccc1CNCC1(CCO)CCCC1 ZINC000072925853 345421831 /nfs/dbraw/zinc/42/18/31/345421831.db2.gz MHHPAOCLODZWCQ-UHFFFAOYSA-N 0 3 289.419 3.284 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCCN2CCCCC2)c1 ZINC000273254245 192090154 /nfs/dbraw/zinc/09/01/54/192090154.db2.gz WPMNDEJWUSDNBV-UHFFFAOYSA-N 0 3 285.391 3.049 20 30 CGEDHN C=C(C)CN1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088720931 345764061 /nfs/dbraw/zinc/76/40/61/345764061.db2.gz RNWIILPVZCUUNG-UHFFFAOYSA-N 0 3 289.379 3.356 20 30 CGEDHN C=CCCCN(C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089128947 345766024 /nfs/dbraw/zinc/76/60/24/345766024.db2.gz VUHPRGQTIGGDOB-UHFFFAOYSA-N 0 3 265.328 3.010 20 30 CGEDHN CCC(=O)N1CCC(N[C@H](CCC#N)c2ccccc2)CC1 ZINC000090665772 345791627 /nfs/dbraw/zinc/79/16/27/345791627.db2.gz CTKUCCULRRVKBZ-QGZVFWFLSA-N 0 3 299.418 3.022 20 30 CGEDHN CCO[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135242778 346087092 /nfs/dbraw/zinc/08/70/92/346087092.db2.gz FXSQRLHBXBIRPS-INIZCTEOSA-N 0 3 286.419 3.489 20 30 CGEDHN CC(C)[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000140441162 346104200 /nfs/dbraw/zinc/10/42/00/346104200.db2.gz MZKADWVWWDKOBY-QGZVFWFLSA-N 0 3 299.418 3.054 20 30 CGEDHN C=CCCC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000171013835 346201277 /nfs/dbraw/zinc/20/12/77/346201277.db2.gz ZBYBIFZYGNYCAE-UHFFFAOYSA-N 0 3 274.408 3.063 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)Cc1ccccc1 ZINC000165430745 346183699 /nfs/dbraw/zinc/18/36/99/346183699.db2.gz DPNYRDNRQPHYIF-UHFFFAOYSA-N 0 3 250.345 3.499 20 30 CGEDHN CCOc1cccc(CNCCOc2ccc(C#N)cc2)c1 ZINC000174560103 346243645 /nfs/dbraw/zinc/24/36/45/346243645.db2.gz OXVKGKXBWUENPQ-UHFFFAOYSA-N 0 3 296.370 3.126 20 30 CGEDHN N#CCCCOc1cccc(CNC[C@@H]2CCCCO2)c1 ZINC000237819835 346347156 /nfs/dbraw/zinc/34/71/56/346347156.db2.gz QSTDZWULHHICNZ-KRWDZBQOSA-N 0 3 288.391 3.028 20 30 CGEDHN C=CCOc1ccc(CN[C@](C)(CO)c2ccccc2)cc1 ZINC000237634055 346347174 /nfs/dbraw/zinc/34/71/74/346347174.db2.gz NZRPLTFWWXVIDI-LJQANCHMSA-N 0 3 297.398 3.249 20 30 CGEDHN CCO[C@@H]1C[C@@H](N[C@H](CC)CC#N)C12CCCC2 ZINC000251370241 346388333 /nfs/dbraw/zinc/38/83/33/346388333.db2.gz QTCWUWQGQUABTR-MGPQQGTHSA-N 0 3 250.386 3.006 20 30 CGEDHN CCS[C@H]1CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000300649083 346438152 /nfs/dbraw/zinc/43/81/52/346438152.db2.gz HOOYRFSSHSRXBS-STQMWFEESA-N 0 3 266.435 3.384 20 30 CGEDHN C[C@H](NCCc1ccc(CO)cc1)c1ccc(C#N)cc1F ZINC000305795498 346450361 /nfs/dbraw/zinc/45/03/61/346450361.db2.gz ACJRMPRJTRKXRR-ZDUSSCGKSA-N 0 3 298.361 3.083 20 30 CGEDHN N#Cc1cc(CN2CCC3(CCC3)CC2)ccc1F ZINC000308739400 346468059 /nfs/dbraw/zinc/46/80/59/346468059.db2.gz VHEFXAYMRLSUDN-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN CC[C@@H](CC#N)NC1CCC2(CC1)c1ccccc1NC2=O ZINC000593614827 347095952 /nfs/dbraw/zinc/09/59/52/347095952.db2.gz DFGAIURXZLAPGQ-VNSJNIRKSA-N 0 3 297.402 3.101 20 30 CGEDHN C=CCOc1ccc(CNC[C@H](CCC)OC)cc1 ZINC000378825895 346554311 /nfs/dbraw/zinc/55/43/11/346554311.db2.gz PEAZYPUGCQQUKD-INIZCTEOSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@@H]1CN(Cc2ccnc(C#N)c2)CCc2ccccc21 ZINC000404723212 346600818 /nfs/dbraw/zinc/60/08/18/346600818.db2.gz WDDMUBOVQKVQEZ-CQSZACIVSA-N 0 3 277.371 3.115 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(F)(F)CC1 ZINC000529889034 346644587 /nfs/dbraw/zinc/64/45/87/346644587.db2.gz MQJOATFCLLBPGJ-CQSZACIVSA-N 0 3 292.329 3.017 20 30 CGEDHN C#C[C@H](NCc1c[nH]nc1-c1ccsc1)C(C)(C)C ZINC000491672344 346629243 /nfs/dbraw/zinc/62/92/43/346629243.db2.gz UAXCKBPBAUWWQO-ZDUSSCGKSA-N 0 3 273.405 3.276 20 30 CGEDHN CC[C@@H](N[C@@H](C)COCC1CC1)c1ccc(C#N)cc1 ZINC000593724185 347108225 /nfs/dbraw/zinc/10/82/25/347108225.db2.gz YOBTVYMKQFOGRB-SUMWQHHRSA-N 0 3 272.392 3.414 20 30 CGEDHN CSC1(CNCc2ccc(C#N)c(Cl)c2)CC1 ZINC000589178272 346787255 /nfs/dbraw/zinc/78/72/55/346787255.db2.gz UDIIJBIIJQDQPV-UHFFFAOYSA-N 0 3 266.797 3.197 20 30 CGEDHN CCC(C)(C)N1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000594021544 347138487 /nfs/dbraw/zinc/13/84/87/347138487.db2.gz UWJZXBBQULEAOZ-OAHLLOKOSA-N 0 3 285.435 3.425 20 30 CGEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC2(CCCCC2)O1 ZINC000594057804 347146691 /nfs/dbraw/zinc/14/66/91/347146691.db2.gz MWUNCEHFLLZYHV-QLFBSQMISA-N 0 3 262.397 3.102 20 30 CGEDHN CC(C)(C#N)c1ccc(CN2CC3(C2)CCOCC3)cc1 ZINC000594606322 347201979 /nfs/dbraw/zinc/20/19/79/347201979.db2.gz KKZFWVSAHNOCSA-UHFFFAOYSA-N 0 3 284.403 3.100 20 30 CGEDHN CC(C)N1CCCC[C@@H]1CSc1cccnc1C#N ZINC000594450971 347175619 /nfs/dbraw/zinc/17/56/19/347175619.db2.gz AJJIOCXHZPNPIO-CYBMUJFWSA-N 0 3 275.421 3.308 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@H]2CSC2(C)C)cc1 ZINC000594505859 347181655 /nfs/dbraw/zinc/18/16/55/347181655.db2.gz CNPYBLTUXYGKLX-AWEZNQCLSA-N 0 3 274.433 3.471 20 30 CGEDHN COc1c(C)cccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000594512238 347183774 /nfs/dbraw/zinc/18/37/74/347183774.db2.gz VNKGRJJPKGPYFC-HIFRSBDPSA-N 0 3 258.365 3.176 20 30 CGEDHN COC[C@H](CC(C)(C)C)NCc1cc(C#N)cs1 ZINC000594513605 347184629 /nfs/dbraw/zinc/18/46/29/347184629.db2.gz GDFGHQBZLMDKOE-LBPRGKRZSA-N 0 3 266.410 3.161 20 30 CGEDHN COC[C@@H](CC(C)(C)C)NCc1cc(C#N)cs1 ZINC000594513587 347184953 /nfs/dbraw/zinc/18/49/53/347184953.db2.gz GDFGHQBZLMDKOE-GFCCVEGCSA-N 0 3 266.410 3.161 20 30 CGEDHN COC(=O)c1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000594521452 347188885 /nfs/dbraw/zinc/18/88/85/347188885.db2.gz RJTNHOYDSWVZHV-XGWLTEMNSA-N 0 3 298.386 3.132 20 30 CGEDHN CC1(C)[C@@H](CNCc2cc(C#N)cs2)C1(F)F ZINC000594991219 347250349 /nfs/dbraw/zinc/25/03/49/347250349.db2.gz GHDTVQHUDYUEEM-SNVBAGLBSA-N 0 3 256.321 3.001 20 30 CGEDHN CC(C)[C@@H](O)[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000594992479 347251419 /nfs/dbraw/zinc/25/14/19/347251419.db2.gz SIMUJEIOGSDBMN-RTBURBONSA-N 0 3 294.398 3.406 20 30 CGEDHN N#Cc1csc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000594996895 347252170 /nfs/dbraw/zinc/25/21/70/347252170.db2.gz VEYAEJWFXWHXCW-ARFHVFGLSA-N 0 3 284.359 3.187 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H](SCC)C2)nn1 ZINC000594941741 347236207 /nfs/dbraw/zinc/23/62/07/347236207.db2.gz UGMJYFUJGCERLM-UKRRQHHQSA-N 0 3 294.468 3.008 20 30 CGEDHN CC[C@@H]1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000594950505 347238381 /nfs/dbraw/zinc/23/83/81/347238381.db2.gz NCQHDIRYLOSVFK-INMHGKMJSA-N 0 3 270.376 3.093 20 30 CGEDHN C[C@@H]1CCC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594986158 347249566 /nfs/dbraw/zinc/24/95/66/347249566.db2.gz SNCJULWENZCSGR-RHSMWYFYSA-N 0 3 284.403 3.289 20 30 CGEDHN Cc1occc1CN(C)CCc1ccc(C#N)cc1 ZINC000595294956 347288686 /nfs/dbraw/zinc/28/86/86/347288686.db2.gz DCWJVWOOBTULOS-UHFFFAOYSA-N 0 3 254.333 3.134 20 30 CGEDHN N#Cc1ccc(CCN2CCC(C(F)F)CC2)cc1 ZINC000595350170 347295576 /nfs/dbraw/zinc/29/55/76/347295576.db2.gz HQJVHAOJUODMJC-UHFFFAOYSA-N 0 3 264.319 3.078 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H]2CCCCC2(C)C)CC1 ZINC000595399323 347298462 /nfs/dbraw/zinc/29/84/62/347298462.db2.gz VJXUTQSWJNFRQN-IRXDYDNUSA-N 0 3 291.483 3.369 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)OC)o1 ZINC000595007116 347255210 /nfs/dbraw/zinc/25/52/10/347255210.db2.gz GEKYJQMTIDELNW-TZMCWYRMSA-N 0 3 277.364 3.291 20 30 CGEDHN CO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595415418 347300252 /nfs/dbraw/zinc/30/02/52/347300252.db2.gz RFCGZFKBSMBIMM-LRDDRELGSA-N 0 3 258.365 3.024 20 30 CGEDHN C=CCCSCCN[C@@H](C)c1ccnc(OC)c1 ZINC000595060111 347273795 /nfs/dbraw/zinc/27/37/95/347273795.db2.gz RQXCLUZHCWUXQK-LBPRGKRZSA-N 0 3 266.410 3.050 20 30 CGEDHN C[C@@H]1CCC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)O1 ZINC000595076141 347278226 /nfs/dbraw/zinc/27/82/26/347278226.db2.gz FMOAZXXROHTGHY-ISTRZQFTSA-N 0 3 270.376 3.093 20 30 CGEDHN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1ccc(C#N)cc1F ZINC000595078811 347278673 /nfs/dbraw/zinc/27/86/73/347278673.db2.gz GCTIXOOQARZHJV-YRGRVCCFSA-N 0 3 276.355 3.306 20 30 CGEDHN CC1(C)[C@H](CN[C@H]2CCc3ccc(C#N)cc32)C1(F)F ZINC000595095017 347282015 /nfs/dbraw/zinc/28/20/15/347282015.db2.gz SWUNFOSSXSXNDJ-KBPBESRZSA-N 0 3 276.330 3.426 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1onc(C)c1[N+](=O)[O-] ZINC000595602011 347324328 /nfs/dbraw/zinc/32/43/28/347324328.db2.gz FPWFXIDQLLDNCN-NEPJUHHUSA-N 0 3 279.340 3.116 20 30 CGEDHN C[C@@H]1CCCC[C@H]1OCCN1CCC[C@H](CC#N)C1 ZINC000595611533 347326577 /nfs/dbraw/zinc/32/65/77/347326577.db2.gz KIOWPIYYRLHOAF-BZUAXINKSA-N 0 3 264.413 3.207 20 30 CGEDHN Cc1cccc(C)c1OCCN1CCC[C@@H](CC#N)C1 ZINC000595610396 347326824 /nfs/dbraw/zinc/32/68/24/347326824.db2.gz XUPZMPUXFUHEHV-INIZCTEOSA-N 0 3 272.392 3.308 20 30 CGEDHN Cc1cc(-n2ccnc2)ccc1CN1CCC[C@H](CC#N)C1 ZINC000595623558 347329752 /nfs/dbraw/zinc/32/97/52/347329752.db2.gz TZWSIBSTHFOKAI-MRXNPFEDSA-N 0 3 294.402 3.306 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000595660034 347334062 /nfs/dbraw/zinc/33/40/62/347334062.db2.gz QMTXKEFZYTZKDC-ZDUSSCGKSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2csc(C(=O)OC)c2)C1 ZINC000595659503 347334328 /nfs/dbraw/zinc/33/43/28/347334328.db2.gz ORFUEJXEGSHFTN-LBPRGKRZSA-N 0 3 279.405 3.323 20 30 CGEDHN C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1CCO ZINC000595703528 347343712 /nfs/dbraw/zinc/34/37/12/347343712.db2.gz TWLUUKBZYHNNSA-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN CN1CCN(CCc2ccc(C#N)cc2)CC12CCCCC2 ZINC000595509981 347313479 /nfs/dbraw/zinc/31/34/79/347313479.db2.gz IHWLTYOPXDFVEN-UHFFFAOYSA-N 0 3 297.446 3.051 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(c2ccon2)CC1 ZINC000595827151 347362001 /nfs/dbraw/zinc/36/20/01/347362001.db2.gz AYYKARLYONFBRM-UHFFFAOYSA-N 0 3 281.359 3.234 20 30 CGEDHN CCN(CC)Cc1cccc(NC(=O)[C@H](C)CC#N)c1 ZINC000596776482 347510556 /nfs/dbraw/zinc/51/05/56/347510556.db2.gz KAVGYLGOUUIFLG-CYBMUJFWSA-N 0 3 273.380 3.017 20 30 CGEDHN N#CCC[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000597066097 347532476 /nfs/dbraw/zinc/53/24/76/347532476.db2.gz OLPBYFOEYPOWOS-ULQDDVLXSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@]1(c2ccccc2)CC[C@@H](N2CC(CC#N)C2)C1 ZINC000597204230 347554279 /nfs/dbraw/zinc/55/42/79/347554279.db2.gz UVYFTWORGUQURN-SJORKVTESA-N 0 3 254.377 3.342 20 30 CGEDHN CCC1(CC)CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000597208426 347554320 /nfs/dbraw/zinc/55/43/20/347554320.db2.gz MKYISAVDJXICMA-UHFFFAOYSA-N 0 3 297.406 3.003 20 30 CGEDHN CC(C)(CCC#N)CN1CCC(c2ccon2)CC1 ZINC000597227222 347557623 /nfs/dbraw/zinc/55/76/23/347557623.db2.gz BEYXJNKHTJBPHS-UHFFFAOYSA-N 0 3 261.369 3.184 20 30 CGEDHN CC[C@@H](C)N(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000597854166 347595257 /nfs/dbraw/zinc/59/52/57/347595257.db2.gz CYBCVTUKVRMYOE-GDBMZVCRSA-N 0 3 272.392 3.406 20 30 CGEDHN CC[C@](C)(NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598251853 347638583 /nfs/dbraw/zinc/63/85/83/347638583.db2.gz WFPRQQSHWJOUEM-YJBOKZPZSA-N 0 3 284.403 3.454 20 30 CGEDHN CC(C)(CCC#N)CN[C@@H]1CCCc2scnc21 ZINC000599047025 347710417 /nfs/dbraw/zinc/71/04/17/347710417.db2.gz NUQJXTRQVZWBEJ-LLVKDONJSA-N 0 3 263.410 3.440 20 30 CGEDHN CC(C)CC[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000599069540 347713999 /nfs/dbraw/zinc/71/39/99/347713999.db2.gz UKFIMDUZSDYECS-GXTWGEPZSA-N 0 3 278.371 3.145 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CO[C@H](C2CC2)C1 ZINC000599084947 347715772 /nfs/dbraw/zinc/71/57/72/347715772.db2.gz GONSPFILBUYUAD-WDSOQIARSA-N 0 3 296.414 3.483 20 30 CGEDHN CN(Cc1cccc(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598585404 347666739 /nfs/dbraw/zinc/66/67/39/347666739.db2.gz CJSAMSPHBJHHKE-AWEZNQCLSA-N 0 3 280.799 3.073 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@@H]1c1ccco1 ZINC000598593623 347668477 /nfs/dbraw/zinc/66/84/77/347668477.db2.gz VLGFKKYSQGIJPB-UONOGXRCSA-N 0 3 276.380 3.107 20 30 CGEDHN C[C@H]1c2ccc(F)cc2CCN1C[C@H](O)CC(C)(C)C#N ZINC000598593593 347668539 /nfs/dbraw/zinc/66/85/39/347668539.db2.gz VBABEWXFQHMPDE-SWLSCSKDSA-N 0 3 290.382 3.046 20 30 CGEDHN COc1cc(C#N)ccc1CN1C[C@@H]2CCCC[C@@]21C ZINC000599671844 347763065 /nfs/dbraw/zinc/76/30/65/347763065.db2.gz SOXXHBATYUIBEM-RDJZCZTQSA-N 0 3 270.376 3.331 20 30 CGEDHN CCOC(=O)CCN(Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599454082 347746766 /nfs/dbraw/zinc/74/67/66/347746766.db2.gz GRVNKTUHCUBESK-UHFFFAOYSA-N 0 3 288.391 3.030 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599592386 347756648 /nfs/dbraw/zinc/75/66/48/347756648.db2.gz YMBBOEJTBASLKJ-SOUVJXGZSA-N 0 3 279.424 3.088 20 30 CGEDHN N#Cc1cc(-c2ccc(CC3(C[NH3+])CC3)cc2)ccc1[O-] ZINC000600779378 347834386 /nfs/dbraw/zinc/83/43/86/347834386.db2.gz FPTOAQDYJYCPQR-UHFFFAOYSA-N 0 3 278.355 3.212 20 30 CGEDHN N#Cc1ccc(CN[C@H](C2CCC2)[C@H]2CCCO2)c(F)c1 ZINC000601155574 347875487 /nfs/dbraw/zinc/87/54/87/347875487.db2.gz AQWDKIHNGXPTHH-IAGOWNOFSA-N 0 3 288.366 3.135 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CCC2)[C@H]2CCCO2)c(F)c1 ZINC000601155576 347875683 /nfs/dbraw/zinc/87/56/83/347875683.db2.gz AQWDKIHNGXPTHH-SJORKVTESA-N 0 3 288.366 3.135 20 30 CGEDHN COc1cccc2c1OCCC[C@H]2NCC1(CC#N)CC1 ZINC000601279844 347888286 /nfs/dbraw/zinc/88/82/86/347888286.db2.gz KCJIHKWGJTZBFW-CQSZACIVSA-N 0 3 286.375 3.192 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)c1cccc(OC)c1OC ZINC000601280455 347888303 /nfs/dbraw/zinc/88/83/03/347888303.db2.gz OCTPZVUPFRLJMC-AWEZNQCLSA-N 0 3 288.391 3.438 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(C(=O)OCC)no1 ZINC000601310737 347891328 /nfs/dbraw/zinc/89/13/28/347891328.db2.gz NXTHDHYCAHJKEM-JSGCOSHPSA-N 0 3 292.379 3.076 20 30 CGEDHN N#Cc1c(F)cccc1CNC1CCC(F)(F)CC1 ZINC000602016477 347933504 /nfs/dbraw/zinc/93/35/04/347933504.db2.gz XDZYLQACJGHAPO-UHFFFAOYSA-N 0 3 268.282 3.365 20 30 CGEDHN Cc1cccc(C[C@]2(C)CCCN2C(=O)C(C)C#N)c1 ZINC000601868725 347920817 /nfs/dbraw/zinc/92/08/17/347920817.db2.gz GMBGLXWTLLHFSU-PBHICJAKSA-N 0 3 270.376 3.078 20 30 CGEDHN CCOC(=O)C1(N(C)C[C@@H](C)CCC#N)CCCCC1 ZINC000602474318 347965002 /nfs/dbraw/zinc/96/50/02/347965002.db2.gz GUGSQPKLOSCERU-AWEZNQCLSA-N 0 3 280.412 3.124 20 30 CGEDHN C[C@H](CCC#N)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000602474333 347965258 /nfs/dbraw/zinc/96/52/58/347965258.db2.gz HAKWKKKHPBQWLC-MGPQQGTHSA-N 0 3 252.427 3.286 20 30 CGEDHN CC(C)CC[C@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602483758 347966937 /nfs/dbraw/zinc/96/69/37/347966937.db2.gz LLBGCTYCNZLNBF-MRXNPFEDSA-N 0 3 257.381 3.354 20 30 CGEDHN Cc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602506703 347971856 /nfs/dbraw/zinc/97/18/56/347971856.db2.gz LGEZPHRIASBUBJ-HNNXBMFYSA-N 0 3 272.392 3.184 20 30 CGEDHN C[C@H](C[C@@H]1CCCC(=O)N1)N[C@@H](CCC#N)c1ccccc1 ZINC000602581909 347988295 /nfs/dbraw/zinc/98/82/95/347988295.db2.gz LUESQTULAWDRPR-PVAVHDDUSA-N 0 3 299.418 3.068 20 30 CGEDHN COc1cccc(C)c1CN1CCC(CC#N)CC1 ZINC000602595853 347990806 /nfs/dbraw/zinc/99/08/06/347990806.db2.gz DWIZGPDMYBEXIN-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN N#CCC1(CN(CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000602783077 348028030 /nfs/dbraw/zinc/02/80/30/348028030.db2.gz XYDVKRXZVKNKKF-GOSISDBHSA-N 0 3 298.430 3.442 20 30 CGEDHN CC(C)(C)OC1CC(CCNCc2cccc(C#N)n2)C1 ZINC000602635732 347997663 /nfs/dbraw/zinc/99/76/63/347997663.db2.gz ZTSGFLXFCCMRRM-UHFFFAOYSA-N 0 3 287.407 3.027 20 30 CGEDHN N#Cc1cccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)n1 ZINC000602644193 347999755 /nfs/dbraw/zinc/99/97/55/347999755.db2.gz AFGUODAEZBUEDI-WJYNOGRTSA-N 0 3 281.334 3.128 20 30 CGEDHN CC(C)O[C@@H](CNCC1(CC#N)CC1)c1ccccc1 ZINC000602644445 347999855 /nfs/dbraw/zinc/99/98/55/347999855.db2.gz XPGXVBKVUCTFDH-INIZCTEOSA-N 0 3 272.392 3.436 20 30 CGEDHN COc1ccc2c(c1)C1(CC1)CN(C[C@H](C)CCC#N)C2 ZINC000602665862 348004469 /nfs/dbraw/zinc/00/44/69/348004469.db2.gz DHOSFNPAZLLHMV-CQSZACIVSA-N 0 3 284.403 3.482 20 30 CGEDHN CC(C)(C)C[C@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602687444 348009842 /nfs/dbraw/zinc/00/98/42/348009842.db2.gz WIYVCTSBVSOGJQ-CYBMUJFWSA-N 0 3 257.381 3.211 20 30 CGEDHN CCC[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)OC ZINC000602691205 348009931 /nfs/dbraw/zinc/00/99/31/348009931.db2.gz DVGAQUOUJYRLBE-CJNGLKHVSA-N 0 3 260.381 3.366 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCc2ccccc21 ZINC000602712619 348015811 /nfs/dbraw/zinc/01/58/11/348015811.db2.gz YZTJTVDRMGWWQW-RHSMWYFYSA-N 0 3 284.403 3.362 20 30 CGEDHN C[C@@H](CCC#N)CN1C[C@H](C)OC2(CCCCC2)C1 ZINC000602712960 348015969 /nfs/dbraw/zinc/01/59/69/348015969.db2.gz WWIJJBLYUOZWNL-GJZGRUSLSA-N 0 3 264.413 3.350 20 30 CGEDHN CC[C@@H](C)[C@@H](CN1CCc2c(CC#N)cccc2C1)OC ZINC000602731912 348020229 /nfs/dbraw/zinc/02/02/29/348020229.db2.gz YUUVTBLXNORAJT-RDTXWAMCSA-N 0 3 286.419 3.172 20 30 CGEDHN CC(C)[C@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602543374 347979493 /nfs/dbraw/zinc/97/94/93/347979493.db2.gz CGJRHJVWLLHVOR-UONOGXRCSA-N 0 3 257.381 3.258 20 30 CGEDHN Cc1csc(C(C)(C)NC[C@H](C)CCC#N)n1 ZINC000602548568 347980045 /nfs/dbraw/zinc/98/00/45/347980045.db2.gz ZQSWSYRHFNLQBI-SNVBAGLBSA-N 0 3 251.399 3.216 20 30 CGEDHN C[C@H](CN(C)C(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000602560786 347982120 /nfs/dbraw/zinc/98/21/20/347982120.db2.gz UICZFIZZJZZBHP-GDBMZVCRSA-N 0 3 293.455 3.072 20 30 CGEDHN N#CCC1(CN[C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000602804292 348031465 /nfs/dbraw/zinc/03/14/65/348031465.db2.gz FMLITKAFNRCAIJ-JKSUJKDBSA-N 0 3 270.376 3.048 20 30 CGEDHN N#CCC1(CN(Cc2ccccc2)[C@H](CO)C2CCC2)CC1 ZINC000602851994 348036589 /nfs/dbraw/zinc/03/65/89/348036589.db2.gz MGSHSPDSDAUCNG-GOSISDBHSA-N 0 3 298.430 3.343 20 30 CGEDHN CN(CCCCOC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602979179 348049998 /nfs/dbraw/zinc/04/99/98/348049998.db2.gz ATEJOMYJCOYYHC-KBPBESRZSA-N 0 3 252.402 3.206 20 30 CGEDHN N#Cc1cc(CN2CCC[C@H](C3CCC3)CC2)ccn1 ZINC000603000240 348053858 /nfs/dbraw/zinc/05/38/58/348053858.db2.gz YIRYFJMDHBGFBD-INIZCTEOSA-N 0 3 269.392 3.355 20 30 CGEDHN N#Cc1ccc(CNCCN2CCCc3ccccc32)cc1 ZINC000604473826 348121114 /nfs/dbraw/zinc/12/11/14/348121114.db2.gz SQYJXIDNZUDOBX-UHFFFAOYSA-N 0 3 291.398 3.101 20 30 CGEDHN C=CCN(C(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000603793789 348096034 /nfs/dbraw/zinc/09/60/34/348096034.db2.gz ISSHLUXFMWZRMR-INIZCTEOSA-N 0 3 286.419 3.470 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000606902661 348206212 /nfs/dbraw/zinc/20/62/12/348206212.db2.gz IPWUUEPHLGDQBD-IYBDPMFKSA-N 0 3 280.456 3.454 20 30 CGEDHN N#Cc1cccc(CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000295152127 199373983 /nfs/dbraw/zinc/37/39/83/199373983.db2.gz RGMUZAVRXWRHCK-UHFFFAOYSA-N 0 3 284.403 3.075 20 30 CGEDHN CC[C@@H]1CCCCN1CCNc1ncc(C#N)cc1Cl ZINC000609595540 348348693 /nfs/dbraw/zinc/34/86/93/348348693.db2.gz BPQWHZOELCIXOD-CYBMUJFWSA-N 0 3 292.814 3.283 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN([C@@H](C)CCc2ccccc2)CC1 ZINC000609487048 348345368 /nfs/dbraw/zinc/34/53/68/348345368.db2.gz WADLGLYVYKRELX-HKUYNNGSSA-N 0 3 299.462 3.173 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000609920327 348357850 /nfs/dbraw/zinc/35/78/50/348357850.db2.gz GHYUXMYMPCWQMT-NWDGAFQWSA-N 0 3 299.399 3.162 20 30 CGEDHN Cc1ccccc1C1(CNC(=O)C(C)C#N)CCCCC1 ZINC000609920984 348357865 /nfs/dbraw/zinc/35/78/65/348357865.db2.gz XTYOPSNNINZNBW-HNNXBMFYSA-N 0 3 284.403 3.473 20 30 CGEDHN CCO[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000610002220 348359946 /nfs/dbraw/zinc/35/99/46/348359946.db2.gz QEPZXZDFYFCMEU-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN COC(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000611386304 348443366 /nfs/dbraw/zinc/44/33/66/348443366.db2.gz LNTPSAVOIYTFDE-CYBMUJFWSA-N 0 3 294.354 3.196 20 30 CGEDHN CCc1nn(C)cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393419 348445832 /nfs/dbraw/zinc/44/58/32/348445832.db2.gz JRRKMBCPIDHKNI-GOSISDBHSA-N 0 3 294.402 3.021 20 30 CGEDHN C=C(CNCc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000611437730 348451842 /nfs/dbraw/zinc/45/18/42/348451842.db2.gz XMJNFIDRBOXSLK-UHFFFAOYSA-N 0 3 281.355 3.276 20 30 CGEDHN CCCC[C@H](CC)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000612823075 348548367 /nfs/dbraw/zinc/54/83/67/348548367.db2.gz JALMFJNMMUMNJG-IRXDYDNUSA-N 0 3 279.472 3.369 20 30 CGEDHN CC(C)(C#N)CN[C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000612588231 348532002 /nfs/dbraw/zinc/53/20/02/348532002.db2.gz SSQBIYZJBOPWEZ-MRXNPFEDSA-N 0 3 285.435 3.179 20 30 CGEDHN CCN1CCC(Nc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411170 348598356 /nfs/dbraw/zinc/59/83/56/348598356.db2.gz GOHLSFAGJZWUEF-UHFFFAOYSA-N 0 3 286.423 3.147 20 30 CGEDHN COCCN(Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000616749035 348876533 /nfs/dbraw/zinc/87/65/33/348876533.db2.gz HRRZSBNBDFMCKV-UHFFFAOYSA-N 0 3 276.355 3.088 20 30 CGEDHN CCOC(=O)CCC1CCN(CC#Cc2ccccc2)CC1 ZINC000616767159 348877520 /nfs/dbraw/zinc/87/75/20/348877520.db2.gz ZZZAMWSLMYEDAF-UHFFFAOYSA-N 0 3 299.414 3.093 20 30 CGEDHN C[C@H](NCCN1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571169 233157510 /nfs/dbraw/zinc/15/75/10/233157510.db2.gz OMVWELWHOIWIEW-KGLIPLIRSA-N 0 3 289.398 3.222 20 30 CGEDHN COc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741782 349151691 /nfs/dbraw/zinc/15/16/91/349151691.db2.gz IHAPYGQAJUGETK-GOSISDBHSA-N 0 3 278.355 3.344 20 30 CGEDHN CC1(C#N)CCN(Cc2ccc3cnccc3c2)CC1 ZINC000618818813 349157514 /nfs/dbraw/zinc/15/75/14/349157514.db2.gz DAFNILXGAQYDFD-UHFFFAOYSA-N 0 3 265.360 3.360 20 30 CGEDHN Cc1cnc([C@H](NC[C@@H](C)CCC#N)C2CC2)s1 ZINC000618887957 349175494 /nfs/dbraw/zinc/17/54/94/349175494.db2.gz JWZMDYOKCJGAKB-GXFFZTMASA-N 0 3 263.410 3.432 20 30 CGEDHN COc1ccc([C@@H](C)[C@H](C)NCC(C)(C)C#N)cc1 ZINC000619428931 349248674 /nfs/dbraw/zinc/24/86/74/349248674.db2.gz OERHYVDEBJGITN-STQMWFEESA-N 0 3 260.381 3.327 20 30 CGEDHN CO[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000619673038 349268956 /nfs/dbraw/zinc/26/89/56/349268956.db2.gz IGPNNJQSIZMWLV-SLEUVZQESA-N 0 3 278.783 3.309 20 30 CGEDHN C=CCN[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983677 350240580 /nfs/dbraw/zinc/24/05/80/350240580.db2.gz XKZNVMLJKQRYIT-ZDUSSCGKSA-N 0 3 273.207 3.372 20 30 CGEDHN C=CC[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000626263552 350289441 /nfs/dbraw/zinc/28/94/41/350289441.db2.gz BHGBADOEKKFSFQ-CQSZACIVSA-N 0 3 287.407 3.178 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cccc(OC)c2OC)C1 ZINC000628405915 350529647 /nfs/dbraw/zinc/52/96/47/350529647.db2.gz XJIGMQQRSINXCZ-CYBMUJFWSA-N 0 3 261.365 3.102 20 30 CGEDHN C=C1CC(C)(C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000633406763 351296822 /nfs/dbraw/zinc/29/68/22/351296822.db2.gz CAXAYFSMAYQMQG-UHFFFAOYSA-N 0 3 272.392 3.351 20 30 CGEDHN N#Cc1ccc(CNCCC2Cc3ccccc3C2)o1 ZINC000119470647 186830512 /nfs/dbraw/zinc/83/05/12/186830512.db2.gz QPEKDCBDVKVTPL-UHFFFAOYSA-N 0 3 266.344 3.046 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1ccccc1F ZINC000123181884 187076194 /nfs/dbraw/zinc/07/61/94/187076194.db2.gz YVCHMGOIKKJTDV-QWHCGFSZSA-N 0 3 251.345 3.146 20 30 CGEDHN C#CCCCCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000271522715 191191265 /nfs/dbraw/zinc/19/12/65/191191265.db2.gz HFGBXATXYXEPIB-UHFFFAOYSA-N 0 3 272.392 3.189 20 30 CGEDHN C=CCC[C@H](NCc1cc(=O)c(OC)co1)c1ccccc1 ZINC000271678513 191272560 /nfs/dbraw/zinc/27/25/60/191272560.db2.gz BKYGFYVRHUDECN-INIZCTEOSA-N 0 3 299.370 3.446 20 30 CGEDHN C=CCC[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000158553238 188381622 /nfs/dbraw/zinc/38/16/22/188381622.db2.gz VNYCCCNQOMXEIU-CABCVRRESA-N 0 3 295.448 3.102 20 30 CGEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1ccccn1)C(C)C ZINC000158609365 188385494 /nfs/dbraw/zinc/38/54/94/188385494.db2.gz FBOCNVPDMFQLGS-WMZOPIPTSA-N 0 3 287.451 3.431 20 30 CGEDHN C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000336412554 213269505 /nfs/dbraw/zinc/26/95/05/213269505.db2.gz AUHWJDDJVGHUON-SJKOYZFVSA-N 0 3 280.375 3.400 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC3(CC2)OCCc2ccccc23)C1 ZINC000334643997 283058589 /nfs/dbraw/zinc/05/85/89/283058589.db2.gz ABUAZCSEECSEOZ-WBVHZDCISA-N 0 3 296.414 3.243 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000349828779 283059292 /nfs/dbraw/zinc/05/92/92/283059292.db2.gz NDOQPPRHDBCQKG-YPMHNXCESA-N 0 3 268.282 3.487 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC000271891472 191394259 /nfs/dbraw/zinc/39/42/59/191394259.db2.gz RZPNMOMXACWTOE-CVEARBPZSA-N 0 3 288.366 3.135 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2C(F)F)c(C(F)(F)F)c1 ZINC000352883605 283147505 /nfs/dbraw/zinc/14/75/05/283147505.db2.gz CMXZFPUIUSUHAR-MWLCHTKSSA-N 0 3 290.235 3.320 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccnc1 ZINC000334250653 283194948 /nfs/dbraw/zinc/19/49/48/283194948.db2.gz USZUSJLIELJBPT-QGZVFWFLSA-N 0 3 263.344 3.120 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCc3c2cccc3O)c1 ZINC000037748859 283206431 /nfs/dbraw/zinc/20/64/31/283206431.db2.gz PRJBKPLDCGKDQA-INIZCTEOSA-N 0 3 264.328 3.041 20 30 CGEDHN C[C@@H]1CC[C@H](C)N(CCOc2ccccc2C#N)C1 ZINC000088704529 138342824 /nfs/dbraw/zinc/34/28/24/138342824.db2.gz XBVVMQWAFTYMEB-KGLIPLIRSA-N 0 3 258.365 3.057 20 30 CGEDHN COC(=O)c1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000124595970 138376379 /nfs/dbraw/zinc/37/63/79/138376379.db2.gz KYCGWYXJVYQXJD-CYBMUJFWSA-N 0 3 294.354 3.196 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000294780643 199179977 /nfs/dbraw/zinc/17/99/77/199179977.db2.gz LBLZQXRBOBJXTL-QGZVFWFLSA-N 0 3 298.361 3.045 20 30 CGEDHN C[C@@H](NC[C@@H](C)C(F)(F)F)c1cccc(C#N)c1 ZINC000341780026 216100894 /nfs/dbraw/zinc/10/08/94/216100894.db2.gz QRWJOHNRXBZIHR-NXEZZACHSA-N 0 3 256.271 3.407 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)s1)Oc1ccccc1 ZINC000176969729 189017313 /nfs/dbraw/zinc/01/73/13/189017313.db2.gz YTAGVWPRDMCEBY-LBPRGKRZSA-N 0 3 272.373 3.177 20 30 CGEDHN C[C@H](NCc1ccccc1C#N)[C@@H]1COc2ccccc21 ZINC000119352893 370669376 /nfs/dbraw/zinc/66/93/76/370669376.db2.gz QFSNDVZYSDRIPO-GUYCJALGSA-N 0 3 278.355 3.213 20 30 CGEDHN CS[C@@H]1CCCCN(Cc2cccc(C#N)c2)C1 ZINC000179112058 189170414 /nfs/dbraw/zinc/17/04/14/189170414.db2.gz DDGDOXCCIUKIPJ-OAHLLOKOSA-N 0 3 260.406 3.276 20 30 CGEDHN C[C@H](NCCC(=O)NC1CCCCC1)c1ccc(C#N)cc1 ZINC000181546508 189300306 /nfs/dbraw/zinc/30/03/06/189300306.db2.gz MWGJBHCZJGJMSU-AWEZNQCLSA-N 0 3 299.418 3.048 20 30 CGEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1cccc(O)c1 ZINC000181545129 189300342 /nfs/dbraw/zinc/30/03/42/189300342.db2.gz UJONJYQUVKTVTI-CQSZACIVSA-N 0 3 296.370 3.384 20 30 CGEDHN C[C@@H](NC[C@@H](O)C1CCCCC1)c1ccc(C#N)cc1 ZINC000181674334 189304032 /nfs/dbraw/zinc/30/40/32/189304032.db2.gz MSLOQOWRBMRCIP-CXAGYDPISA-N 0 3 272.392 3.150 20 30 CGEDHN C[C@@H](NC[C@@H](O)c1ccsc1)c1ccc(C#N)cc1 ZINC000181785944 189306675 /nfs/dbraw/zinc/30/66/75/189306675.db2.gz PPAPABNGBMLNAL-IAQYHMDHSA-N 0 3 272.373 3.004 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCCCN1CCCC[C@@H]1C ZINC000302109719 201343516 /nfs/dbraw/zinc/34/35/16/201343516.db2.gz OYKZUNLKVCBOTR-AWEZNQCLSA-N 0 3 299.418 3.437 20 30 CGEDHN N#CCCCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120395322 370764680 /nfs/dbraw/zinc/76/46/80/370764680.db2.gz PVPIYENVSDMRDV-CQSZACIVSA-N 0 3 264.756 3.097 20 30 CGEDHN CC(C)[C@H](CO)[C@@H](NCc1cc(C#N)ccc1F)C(C)C ZINC000451591656 240331075 /nfs/dbraw/zinc/33/10/75/240331075.db2.gz BAINLVSNVBWWCV-RDJZCZTQSA-N 0 3 292.398 3.076 20 30 CGEDHN CC(C)[C@@H](NCc1cccc(C#N)c1F)[C@@H](CO)C(C)C ZINC000451600775 240334147 /nfs/dbraw/zinc/33/41/47/240334147.db2.gz SRNSVFPLAPOAHD-DOTOQJQBSA-N 0 3 292.398 3.076 20 30 CGEDHN COc1cc(C#N)ccc1CN(C)CC1CCCC1 ZINC000120732725 370794955 /nfs/dbraw/zinc/79/49/55/370794955.db2.gz BJBUTVYCXLRRQR-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CCO[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C12CCC2 ZINC000120949989 370816724 /nfs/dbraw/zinc/81/67/24/370816724.db2.gz PWGBGFZHBHXGMS-IRXDYDNUSA-N 0 3 284.403 3.338 20 30 CGEDHN CCC[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000419316982 283933930 /nfs/dbraw/zinc/93/39/30/283933930.db2.gz RGMHGYKCMLYAPE-DLBZAZTESA-N 0 3 299.418 3.033 20 30 CGEDHN Cc1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1C#N ZINC000459770031 242223198 /nfs/dbraw/zinc/22/31/98/242223198.db2.gz RONBDIFJOMVOFX-RBUKOAKNSA-N 0 3 298.430 3.240 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CCC)C(C)C)CC1 ZINC000121635373 370881631 /nfs/dbraw/zinc/88/16/31/370881631.db2.gz NODBTMDMTISRLR-MRXNPFEDSA-N 0 3 280.456 3.215 20 30 CGEDHN N#Cc1ccccc1OCCNC1(c2ccccc2)CC1 ZINC000477542417 243047526 /nfs/dbraw/zinc/04/75/26/243047526.db2.gz OEWVNMUVPDHMKX-UHFFFAOYSA-N 0 3 278.355 3.216 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H]2C)cc1OC ZINC000124349785 370923671 /nfs/dbraw/zinc/92/36/71/370923671.db2.gz ZYDAZFNTFMKYCA-CYBMUJFWSA-N 0 3 261.365 3.244 20 30 CGEDHN Cc1oc2ccccc2c1CN1CCC(C#N)CC1 ZINC000123717703 370915089 /nfs/dbraw/zinc/91/50/89/370915089.db2.gz AROCJBNJQKWJGM-UHFFFAOYSA-N 0 3 254.333 3.477 20 30 CGEDHN CC(C)N(CCOc1ccccc1C#N)Cc1cccnc1 ZINC000125668727 370940505 /nfs/dbraw/zinc/94/05/05/370940505.db2.gz SGBDDPTXJNOAMY-UHFFFAOYSA-N 0 3 295.386 3.243 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCOc1ccccc1C#N ZINC000034674271 368976451 /nfs/dbraw/zinc/97/64/51/368976451.db2.gz MKFGDCGNCTXIRS-KBPBESRZSA-N 0 3 258.365 3.200 20 30 CGEDHN C[C@@H](C1CC1)N(Cc1ccc(C#N)cc1F)C1CC1 ZINC000042123502 369201204 /nfs/dbraw/zinc/20/12/04/369201204.db2.gz QIGBERLZKSQZKM-NSHDSACASA-N 0 3 258.340 3.460 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000044812983 369270855 /nfs/dbraw/zinc/27/08/55/369270855.db2.gz ZLMVOGDKBDHHGR-HTQZYQBOSA-N 0 3 271.147 3.330 20 30 CGEDHN C[C@@H](CN1CCCCC1)Nc1ccc(Cl)cc1C#N ZINC000052857905 369473642 /nfs/dbraw/zinc/47/36/42/369473642.db2.gz ADQORUFSGJGBHX-LBPRGKRZSA-N 0 3 277.799 3.498 20 30 CGEDHN N#CCc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000057661468 369544637 /nfs/dbraw/zinc/54/46/37/369544637.db2.gz ZWMLLCCBXYBUHK-UHFFFAOYSA-N 0 3 262.356 3.311 20 30 CGEDHN C=CCCN(C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000276340781 193292834 /nfs/dbraw/zinc/29/28/34/193292834.db2.gz CGKRKRJVABZNNY-UHFFFAOYSA-N 0 3 274.408 3.080 20 30 CGEDHN N#Cc1ccc(NCCN2CCCCC2)cc1Cl ZINC000061846448 369608125 /nfs/dbraw/zinc/60/81/25/369608125.db2.gz XCJAGYDZHMQUFK-UHFFFAOYSA-N 0 3 263.772 3.109 20 30 CGEDHN C=CCCOCCN[C@H]1CCCc2nc(CC)sc21 ZINC000090884092 370069502 /nfs/dbraw/zinc/06/95/02/370069502.db2.gz GXDMIIMKOKDMPC-LBPRGKRZSA-N 0 3 280.437 3.265 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000090883552 370070450 /nfs/dbraw/zinc/07/04/50/370070450.db2.gz LQELLNRVHYJANF-AWEZNQCLSA-N 0 3 291.391 3.091 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000090883652 370070517 /nfs/dbraw/zinc/07/05/17/370070517.db2.gz SOBHNLLKXWRJNK-HNNXBMFYSA-N 0 3 299.418 3.424 20 30 CGEDHN N#Cc1ccc2ncc(CN3CCC4(CCCC4)CC3)n2c1 ZINC000093085337 370107049 /nfs/dbraw/zinc/10/70/49/370107049.db2.gz GCHROSUGWBVCHI-UHFFFAOYSA-N 0 3 294.402 3.362 20 30 CGEDHN C=C(C)CN(CC)Cc1cc(OC)c(OC)cc1C ZINC000102669911 370307789 /nfs/dbraw/zinc/30/77/89/370307789.db2.gz MOWSEGGDDGTQAE-UHFFFAOYSA-N 0 3 263.381 3.410 20 30 CGEDHN C[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccc(C#N)cc1F ZINC000512292975 245031980 /nfs/dbraw/zinc/03/19/80/245031980.db2.gz CPJAMSXBRRPJRQ-IUODEOHRSA-N 0 3 296.345 3.352 20 30 CGEDHN CC(C)C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512619461 245043461 /nfs/dbraw/zinc/04/34/61/245043461.db2.gz MAWBYBZLJGWRHR-DZGCQCFKSA-N 0 3 291.414 3.324 20 30 CGEDHN CN(CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000113758801 370483725 /nfs/dbraw/zinc/48/37/25/370483725.db2.gz OBNCYXZKSKUGQF-UHFFFAOYSA-N 0 3 288.391 3.112 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc2c(c1)OCO2 ZINC000118391242 370613716 /nfs/dbraw/zinc/61/37/16/370613716.db2.gz DSGUNZKFSMUHMA-CYBMUJFWSA-N 0 3 294.354 3.480 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)C1CCCCC1 ZINC000130388350 371030642 /nfs/dbraw/zinc/03/06/42/371030642.db2.gz GLBAXRVLAIXKPG-UHFFFAOYSA-N 0 3 258.365 3.331 20 30 CGEDHN C=CCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000132476956 371178033 /nfs/dbraw/zinc/17/80/33/371178033.db2.gz ZMXHOZURJMDQTN-QGZVFWFLSA-N 0 3 252.361 3.469 20 30 CGEDHN C[C@@H]1C[C@H](Nc2cc(C#N)ccn2)CN1Cc1ccccc1 ZINC000287981613 371722009 /nfs/dbraw/zinc/72/20/09/371722009.db2.gz UXHSTCCBFAMQHW-PBHICJAKSA-N 0 3 292.386 3.028 20 30 CGEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccc(C)cc1C)C(C)C ZINC000289335033 371755465 /nfs/dbraw/zinc/75/54/65/371755465.db2.gz HDMMLXKFMRELQJ-HOTGVXAUSA-N 0 3 286.419 3.268 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H]1CC=CCC1 ZINC000344067578 217035302 /nfs/dbraw/zinc/03/53/02/217035302.db2.gz PVSLAQJUVYBMDH-CABCVRRESA-N 0 3 297.402 3.173 20 30 CGEDHN C=CCOc1cccc(CN2CC[C@](CO)(CCC)C2)c1 ZINC000290009721 371877702 /nfs/dbraw/zinc/87/77/02/371877702.db2.gz DNMKAPUFQZIYST-GOSISDBHSA-N 0 3 289.419 3.236 20 30 CGEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(C)cc2)sc1C ZINC000155657585 371938580 /nfs/dbraw/zinc/93/85/80/371938580.db2.gz DGHOZOHSYDJTNT-ZDUSSCGKSA-N 0 3 285.372 3.314 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C2CC2)C1 ZINC000344095171 217047490 /nfs/dbraw/zinc/04/74/90/217047490.db2.gz LMYOCNNKMCNMLJ-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1ccccc1 ZINC000290351772 371969444 /nfs/dbraw/zinc/96/94/44/371969444.db2.gz QERQFNILXIJNIW-VEVIJQCQSA-N 0 3 298.361 3.470 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 ZINC000290462125 371993413 /nfs/dbraw/zinc/99/34/13/371993413.db2.gz WNYXZAHDFQXPBM-PMUMKWKESA-N 0 3 280.371 3.331 20 30 CGEDHN CC(C)C(=O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000290256219 371947813 /nfs/dbraw/zinc/94/78/13/371947813.db2.gz KFWLWVKONWZYDB-UHFFFAOYSA-N 0 3 270.376 3.138 20 30 CGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000344188943 217090080 /nfs/dbraw/zinc/09/00/80/217090080.db2.gz LYYVIPJNTTXPOW-GOEBONIOSA-N 0 3 295.386 3.076 20 30 CGEDHN CC#CCCN1CCC(OCc2ccccc2F)CC1 ZINC000157586179 372027530 /nfs/dbraw/zinc/02/75/30/372027530.db2.gz LSZGRXZQFQUHOU-UHFFFAOYSA-N 0 3 275.367 3.220 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)CC(C)(C)COC ZINC000426421625 372158200 /nfs/dbraw/zinc/15/82/00/372158200.db2.gz QWPZPSZRKGLWQW-UHFFFAOYSA-N 0 3 277.408 3.356 20 30 CGEDHN CO[C@H](C)CN(CC#Cc1ccc(Cl)cc1)C(C)C ZINC000426519729 372161051 /nfs/dbraw/zinc/16/10/51/372161051.db2.gz CFFBXCUIAXQNMD-CQSZACIVSA-N 0 3 279.811 3.437 20 30 CGEDHN C=CCOc1ccccc1CN1CCC[C@](CC)(CO)C1 ZINC000428448601 372205520 /nfs/dbraw/zinc/20/55/20/372205520.db2.gz QIWJWPOSJNHERM-SFHVURJKSA-N 0 3 289.419 3.236 20 30 CGEDHN C[C@H]1C[C@H](Nc2ccc(C#N)nc2)CN1Cc1ccccc1 ZINC000160946875 372290517 /nfs/dbraw/zinc/29/05/17/372290517.db2.gz CDJFPKIOTQYESY-KSSFIOAISA-N 0 3 292.386 3.028 20 30 CGEDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160558136 372258268 /nfs/dbraw/zinc/25/82/68/372258268.db2.gz ZTPAELSCTXSEBG-CABCVRRESA-N 0 3 293.455 3.086 20 30 CGEDHN N#Cc1ccc(O[C@@H]2CCN(CCCC3CCCC3)C2)nc1 ZINC000428799779 372264023 /nfs/dbraw/zinc/26/40/23/372264023.db2.gz BLMRDSGWAWMYNC-QGZVFWFLSA-N 0 3 299.418 3.377 20 30 CGEDHN C[C@H](CO)N(CC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000429623212 372375297 /nfs/dbraw/zinc/37/52/97/372375297.db2.gz HVEUEDGKXATDJG-CQSZACIVSA-N 0 3 291.822 3.317 20 30 CGEDHN COCCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000430725629 372392359 /nfs/dbraw/zinc/39/23/59/372392359.db2.gz RGGHTIQGCYHPLZ-AWEZNQCLSA-N 0 3 288.391 3.056 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cc(F)c(F)c(F)c1 ZINC000430739256 372394749 /nfs/dbraw/zinc/39/47/49/372394749.db2.gz HHWWJEFMHVNDHG-SECBINFHSA-N 0 3 268.282 3.448 20 30 CGEDHN CCc1nc(C)c([C@H](C)NCC2(CC#N)CC2)s1 ZINC000430765947 372396660 /nfs/dbraw/zinc/39/66/60/372396660.db2.gz WJPDGPOTCYXVJM-JTQLQIEISA-N 0 3 263.410 3.358 20 30 CGEDHN C=CCOCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000293552669 372410273 /nfs/dbraw/zinc/41/02/73/372410273.db2.gz LHZDWBPLBSSELM-RBUKOAKNSA-N 0 3 297.398 3.254 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2n2cccn2)c(F)c1 ZINC000162710723 372412443 /nfs/dbraw/zinc/41/24/43/372412443.db2.gz UXIBRVQRMWKASA-IRXDYDNUSA-N 0 3 298.365 3.167 20 30 CGEDHN N#CC(C(=O)c1ccnc2ccccc21)c1ccccn1 ZINC000161935978 372362686 /nfs/dbraw/zinc/36/26/86/372362686.db2.gz HAMLRUUTXRWRHZ-AWEZNQCLSA-N 0 3 273.295 3.120 20 30 CGEDHN CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000163266293 372458220 /nfs/dbraw/zinc/45/82/20/372458220.db2.gz FAMJNLUTZMVRBS-DGCLKSJQSA-N 0 3 291.420 3.117 20 30 CGEDHN CC[C@H]1CCCCN1CCNCc1ccc(C#N)cc1F ZINC000344407336 217184192 /nfs/dbraw/zinc/18/41/92/217184192.db2.gz KITRBHJPLTWJKX-INIZCTEOSA-N 0 3 289.398 3.051 20 30 CGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000432072493 372533282 /nfs/dbraw/zinc/53/32/82/372533282.db2.gz SLTJIKNSCVVFRJ-LSDHHAIUSA-N 0 3 295.471 3.151 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432941666 372576551 /nfs/dbraw/zinc/57/65/51/372576551.db2.gz XAOSKTIWLZSGQZ-NSHDSACASA-N 0 3 265.353 3.334 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccsc1 ZINC000433225351 372583134 /nfs/dbraw/zinc/58/31/34/372583134.db2.gz IAYMQTWEFTWGRJ-OAHLLOKOSA-N 0 3 284.384 3.137 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000433367734 372598443 /nfs/dbraw/zinc/59/84/43/372598443.db2.gz RMVXGZXDXZEMLK-YESZJQIVSA-N 0 3 282.387 3.017 20 30 CGEDHN CO[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000295150971 372696967 /nfs/dbraw/zinc/69/69/67/372696967.db2.gz AGKOVWLMWGCGKI-CZUORRHYSA-N 0 3 272.392 3.366 20 30 CGEDHN C=CCN(CCc1ccco1)CC1CCC(=O)CC1 ZINC000295023892 372686964 /nfs/dbraw/zinc/68/69/64/372686964.db2.gz QXVRIMZAXMJZLY-UHFFFAOYSA-N 0 3 261.365 3.069 20 30 CGEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC)cc2)CC1 ZINC000171740722 372820745 /nfs/dbraw/zinc/82/07/45/372820745.db2.gz UBNXMUQETVPQBH-UHFFFAOYSA-N 0 3 287.407 3.021 20 30 CGEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000436481594 372835426 /nfs/dbraw/zinc/83/54/26/372835426.db2.gz CTCBFSKUNFDDEF-GOSISDBHSA-N 0 3 299.462 3.260 20 30 CGEDHN C=CCN(CC[C@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000437691721 372855606 /nfs/dbraw/zinc/85/56/06/372855606.db2.gz ZFMSOADSQMOCRQ-AWEZNQCLSA-N 0 3 290.363 3.009 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC[C@H]1CCOC1 ZINC000438123800 372892864 /nfs/dbraw/zinc/89/28/64/372892864.db2.gz TYZDYCZUSRZAQU-JQHSSLGASA-N 0 3 284.403 3.185 20 30 CGEDHN Fc1ccc(C#CCN2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000438175076 372904105 /nfs/dbraw/zinc/90/41/05/372904105.db2.gz OFNVZVYYTXYVSL-RDJZCZTQSA-N 0 3 257.352 3.442 20 30 CGEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000344770830 217304496 /nfs/dbraw/zinc/30/44/96/217304496.db2.gz XHCMIXWAOULTMX-MRXNPFEDSA-N 0 3 282.391 3.150 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2ccc(Cl)cc2)[C@@H]2CCO[C@H]21 ZINC000296071060 373012540 /nfs/dbraw/zinc/01/25/40/373012540.db2.gz GOKFGWNJLUPQNV-ARFHVFGLSA-N 0 3 289.806 3.095 20 30 CGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C)[C@H]1C ZINC000172863135 373051144 /nfs/dbraw/zinc/05/11/44/373051144.db2.gz BHYRUMKEZZNFPY-ZIAGYGMSSA-N 0 3 288.391 3.066 20 30 CGEDHN CSc1cc(C)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442781333 373079508 /nfs/dbraw/zinc/07/95/08/373079508.db2.gz ILQOPUGRRZOMNI-OCCSQVGLSA-N 0 3 260.406 3.499 20 30 CGEDHN CCOc1cc(C)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442785263 373082551 /nfs/dbraw/zinc/08/25/51/373082551.db2.gz RKKRFDSMUKCYKK-HIFRSBDPSA-N 0 3 258.365 3.176 20 30 CGEDHN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000442799939 373088219 /nfs/dbraw/zinc/08/82/19/373088219.db2.gz JFORUNJUVNTCBO-RLCCDNCMSA-N 0 3 276.355 3.306 20 30 CGEDHN Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)c(CN(C)C)c1 ZINC000442881706 373117541 /nfs/dbraw/zinc/11/75/41/373117541.db2.gz NOGXBMPSKXCWDM-HIFRSBDPSA-N 0 3 257.381 3.161 20 30 CGEDHN COc1cc(CN2C[C@H](C)CC(C)(C)C2)ccc1C#N ZINC000442838479 373100469 /nfs/dbraw/zinc/10/04/69/373100469.db2.gz SUQHXQXJQWUWRY-CYBMUJFWSA-N 0 3 272.392 3.435 20 30 CGEDHN COc1cc(CN2CC[C@@H]2Cc2ccccc2)ccc1C#N ZINC000442883932 373119779 /nfs/dbraw/zinc/11/97/79/373119779.db2.gz IMEIOSQHFBVIGJ-GOSISDBHSA-N 0 3 292.382 3.384 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C(C)C)C1 ZINC000444751975 373258859 /nfs/dbraw/zinc/25/88/59/373258859.db2.gz RGPFAJIJQTXMRO-OAHLLOKOSA-N 0 3 272.392 3.435 20 30 CGEDHN COc1ccc([C@@H](C)CCNCc2ccc(C#N)o2)cc1 ZINC000174507545 373329185 /nfs/dbraw/zinc/32/91/85/373329185.db2.gz WDAMMYHSOISUTR-ZDUSSCGKSA-N 0 3 284.359 3.443 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000447837561 373506449 /nfs/dbraw/zinc/50/64/49/373506449.db2.gz VPVCWHRNNXNTPF-PBHICJAKSA-N 0 3 291.822 3.317 20 30 CGEDHN C=CCC1(C(=O)N2CCCN(C(C)C)CC2)CCCCC1 ZINC000448892381 373648447 /nfs/dbraw/zinc/64/84/47/373648447.db2.gz BKZJQDWKAYJQBZ-UHFFFAOYSA-N 0 3 292.467 3.456 20 30 CGEDHN C=CCOc1cccc(CNC[C@H](CCC)OC)c1 ZINC000449374365 373685077 /nfs/dbraw/zinc/68/50/77/373685077.db2.gz AENOEWOIXXKNBI-INIZCTEOSA-N 0 3 263.381 3.156 20 30 CGEDHN N#Cc1csc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000449457218 373739786 /nfs/dbraw/zinc/73/97/86/373739786.db2.gz UGKPZCGKMPOSDA-ARFHVFGLSA-N 0 3 290.432 3.135 20 30 CGEDHN C=C(C)CCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000449478690 373766913 /nfs/dbraw/zinc/76/69/13/373766913.db2.gz SIDLDQFLNXCDRW-UHFFFAOYSA-N 0 3 285.290 3.073 20 30 CGEDHN Cc1cccc2c1OC[C@@H](NCc1ccc(C#N)s1)C2 ZINC000289543307 197397180 /nfs/dbraw/zinc/39/71/80/197397180.db2.gz JVAMAPSVGASRRI-ZDUSSCGKSA-N 0 3 284.384 3.022 20 30 CGEDHN C[C@@H](C1CC1)N(CC#Cc1ccc(F)cc1)C1CC1 ZINC000178914032 373817228 /nfs/dbraw/zinc/81/72/28/373817228.db2.gz RZFRCESLCAEWGP-ZDUSSCGKSA-N 0 3 257.352 3.440 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](NCc2c(F)cccc2-n2cccn2)C1 ZINC000449691776 373842009 /nfs/dbraw/zinc/84/20/09/373842009.db2.gz YFSPLNRMGHFKBE-ZIAGYGMSSA-N 0 3 298.365 3.183 20 30 CGEDHN N#Cc1ccc(CNC2(Cc3ccccc3)CCOCC2)o1 ZINC000449722683 373856188 /nfs/dbraw/zinc/85/61/88/373856188.db2.gz WANGQWATWALZIV-UHFFFAOYSA-N 0 3 296.370 3.033 20 30 CGEDHN C=C(CC)CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000449732999 373857343 /nfs/dbraw/zinc/85/73/43/373857343.db2.gz NJEROSZDDBMNOV-UHFFFAOYSA-N 0 3 288.391 3.434 20 30 CGEDHN C=C(CC)CNCc1cnc(-c2ccccc2OC)nc1 ZINC000449733315 373860902 /nfs/dbraw/zinc/86/09/02/373860902.db2.gz HIFXCUVCHDQHMJ-UHFFFAOYSA-N 0 3 283.375 3.208 20 30 CGEDHN C=CCOc1ccc(CNCC(=C)CC)cc1OC ZINC000449737630 373865393 /nfs/dbraw/zinc/86/53/93/373865393.db2.gz ZGSTXYQAUABRJU-UHFFFAOYSA-N 0 3 261.365 3.316 20 30 CGEDHN C=C(C)CN(CC)CCOc1ccc(OCC)cc1 ZINC000302749425 373950502 /nfs/dbraw/zinc/95/05/02/373950502.db2.gz UXEMKUWCWZLJED-UHFFFAOYSA-N 0 3 263.381 3.362 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000180454375 374008542 /nfs/dbraw/zinc/00/85/42/374008542.db2.gz BRALZKSDPNJPQI-GFCCVEGCSA-N 0 3 280.393 3.473 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CCCCC1 ZINC000449987079 373980817 /nfs/dbraw/zinc/98/08/17/373980817.db2.gz PRKDGAGGQVVNOG-HOTGVXAUSA-N 0 3 292.467 3.454 20 30 CGEDHN CC(C)(C)C1CCC(O)(CNCc2ccc(C#N)o2)CC1 ZINC000304274361 374043396 /nfs/dbraw/zinc/04/33/96/374043396.db2.gz FTDPJDXBDPFODQ-UHFFFAOYSA-N 0 3 290.407 3.208 20 30 CGEDHN N#CC(C(=O)c1cccc2ncccc21)c1ccccn1 ZINC000181035166 374071713 /nfs/dbraw/zinc/07/17/13/374071713.db2.gz OJQRUUMAKRXARA-AWEZNQCLSA-N 0 3 273.295 3.120 20 30 CGEDHN C=C(C)CN(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000181042874 374071784 /nfs/dbraw/zinc/07/17/84/374071784.db2.gz KXEURCKSOYJAED-UHFFFAOYSA-N 0 3 288.391 3.386 20 30 CGEDHN C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(C#N)cc1 ZINC000181566117 374141431 /nfs/dbraw/zinc/14/14/31/374141431.db2.gz MIIRTJPCNVBAGP-GFCCVEGCSA-N 0 3 284.334 3.040 20 30 CGEDHN C[C@@H](NC[C@@H](C#N)CCC#N)C(C)(C)c1ccccc1 ZINC000181773357 374169253 /nfs/dbraw/zinc/16/92/53/374169253.db2.gz MWGZYWQOBNTHKJ-HUUCEWRRSA-N 0 3 269.392 3.386 20 30 CGEDHN C=C(CC)CN[C@H](CO)c1ccc(Br)cc1 ZINC000309599934 374190065 /nfs/dbraw/zinc/19/00/65/374190065.db2.gz JTBVGOWHNOTZLD-CYBMUJFWSA-N 0 3 284.197 3.038 20 30 CGEDHN C=CCCOCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181768313 261434612 /nfs/dbraw/zinc/43/46/12/261434612.db2.gz HHWLCWSPCXNCRD-OAHLLOKOSA-N 0 3 278.352 3.228 20 30 CGEDHN CCC1(CC)CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000316655693 374334311 /nfs/dbraw/zinc/33/43/11/374334311.db2.gz DWLNQIIGGRVKQI-CQSZACIVSA-N 0 3 299.418 3.397 20 30 CGEDHN Cc1cccc(CN(C)CCCOc2cccc(C#N)c2)n1 ZINC000316647096 374334477 /nfs/dbraw/zinc/33/44/77/374334477.db2.gz WGHIEYFPNCXMMR-UHFFFAOYSA-N 0 3 295.386 3.163 20 30 CGEDHN N#Cc1csc(CNC(C2CCC2)C2CCC2)n1 ZINC000324932940 374356685 /nfs/dbraw/zinc/35/66/85/374356685.db2.gz OAMVQBUGYSHRLQ-UHFFFAOYSA-N 0 3 261.394 3.073 20 30 CGEDHN CN(Cc1ccncc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000183746609 374448122 /nfs/dbraw/zinc/44/81/22/374448122.db2.gz JKZWYTZUSXPPLN-UHFFFAOYSA-N 0 3 294.402 3.063 20 30 CGEDHN CC1(C)CCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000330194750 374449504 /nfs/dbraw/zinc/44/95/04/374449504.db2.gz BGPWTZPEEDCMAU-GFCCVEGCSA-N 0 3 293.436 3.388 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2ccccc2OC)cc1 ZINC000184287282 374511552 /nfs/dbraw/zinc/51/15/52/374511552.db2.gz MQVJYTWEUUESFM-QGZVFWFLSA-N 0 3 297.398 3.389 20 30 CGEDHN C[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332706753 374588005 /nfs/dbraw/zinc/58/80/05/374588005.db2.gz YAFSATDRMFCURW-WFASDCNBSA-N 0 3 296.374 3.277 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000185190555 374606011 /nfs/dbraw/zinc/60/60/11/374606011.db2.gz RDBSVPXEUGSTQQ-SJORKVTESA-N 0 3 290.382 3.381 20 30 CGEDHN CC[C@@H](CC#N)NC[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000185900575 374763404 /nfs/dbraw/zinc/76/34/04/374763404.db2.gz BRCIKDYXZISJMJ-JSGCOSHPSA-N 0 3 278.371 3.295 20 30 CGEDHN CN(C)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000185802802 374738788 /nfs/dbraw/zinc/73/87/88/374738788.db2.gz OQULFKAYTQZGIJ-GXTWGEPZSA-N 0 3 275.371 3.064 20 30 CGEDHN C=CCSCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185968736 374776647 /nfs/dbraw/zinc/77/66/47/374776647.db2.gz CSVKLGYYIRFHOP-GFCCVEGCSA-N 0 3 251.395 3.270 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(SC)c(F)c1 ZINC000186698644 374900651 /nfs/dbraw/zinc/90/06/51/374900651.db2.gz AVMJOGUEXPHLGW-CMPLNLGQSA-N 0 3 269.385 3.135 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000186706421 374902301 /nfs/dbraw/zinc/90/23/01/374902301.db2.gz CNBIFRUGLZJIIN-DGCLKSJQSA-N 0 3 275.348 3.029 20 30 CGEDHN CC[C@@]1(C)CCCN(CCOc2ccccc2C#N)C1 ZINC000464781890 374899164 /nfs/dbraw/zinc/89/91/64/374899164.db2.gz WPDLFAZPLXVUKY-KRWDZBQOSA-N 0 3 272.392 3.449 20 30 CGEDHN C=CC[C@H](CO)N[C@H](CC)c1ccc(Cl)s1 ZINC000186709513 374904426 /nfs/dbraw/zinc/90/44/26/374904426.db2.gz JTGJFMORNSBNBK-NXEZZACHSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1CC(C)C ZINC000466668912 374968250 /nfs/dbraw/zinc/96/82/50/374968250.db2.gz ZRTRAZMRQUCHMD-MRXNPFEDSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCCN(C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000467303789 374974585 /nfs/dbraw/zinc/97/45/85/374974585.db2.gz FZSTXRUPSZBNKS-UHFFFAOYSA-N 0 3 261.365 3.260 20 30 CGEDHN CC(C#N)C(=O)NC1(Cc2ccccc2)CCCCC1 ZINC000469235318 374987436 /nfs/dbraw/zinc/98/74/36/374987436.db2.gz KLNCDRSAIWIUOR-AWEZNQCLSA-N 0 3 270.376 3.208 20 30 CGEDHN CCN(C(=O)C(C)C#N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000470538106 374997447 /nfs/dbraw/zinc/99/74/47/374997447.db2.gz RXVGBKJZFVQICQ-CJNGLKHVSA-N 0 3 290.382 3.401 20 30 CGEDHN COc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1O ZINC000187368248 375010904 /nfs/dbraw/zinc/01/09/04/375010904.db2.gz ICPIOWJFRFILOZ-ZDUSSCGKSA-N 0 3 296.370 3.465 20 30 CGEDHN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000187844495 375105855 /nfs/dbraw/zinc/10/58/55/375105855.db2.gz UNZDIYIBMVPWRU-WFASDCNBSA-N 0 3 258.365 3.166 20 30 CGEDHN C=CC1CCN(Cc2nn(CC)c3ccccc23)CC1 ZINC000473140491 375046084 /nfs/dbraw/zinc/04/60/84/375046084.db2.gz ORMKYLYGSOJEKH-UHFFFAOYSA-N 0 3 269.392 3.454 20 30 CGEDHN CC[C@@H](CO)N(CC#Cc1ccccc1)Cc1ccccc1 ZINC000483712847 375183388 /nfs/dbraw/zinc/18/33/88/375183388.db2.gz RDQFUMMDEBASQX-FQEVSTJZSA-N 0 3 293.410 3.311 20 30 CGEDHN COC(=O)C[C@@H](NCC#Cc1ccccc1)C1CCCCC1 ZINC000483699572 375183866 /nfs/dbraw/zinc/18/38/66/375183866.db2.gz MVMFFCKLLFVYLY-GOSISDBHSA-N 0 3 299.414 3.140 20 30 CGEDHN CC#CCCNCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000482157014 375168045 /nfs/dbraw/zinc/16/80/45/375168045.db2.gz KRLLNCCIJHEJMS-UHFFFAOYSA-N 0 3 297.354 3.236 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(O)c1 ZINC000487431139 375242013 /nfs/dbraw/zinc/24/20/13/375242013.db2.gz MQBYRVWVSUBJDC-CYBMUJFWSA-N 0 3 266.344 3.457 20 30 CGEDHN C=CCN(CCOC)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000484581201 375188874 /nfs/dbraw/zinc/18/88/74/375188874.db2.gz GCKWMVQVEHPZPV-LBPRGKRZSA-N 0 3 285.334 3.483 20 30 CGEDHN C=C(CNC/C=C\c1ccncc1)c1ccccc1 ZINC000486958774 375199135 /nfs/dbraw/zinc/19/91/35/375199135.db2.gz STPKYXYZEJJJJD-WAYWQWQTSA-N 0 3 250.345 3.398 20 30 CGEDHN C#CCN(CC)Cc1cccc(-c2ccncc2)c1 ZINC000490877462 375323663 /nfs/dbraw/zinc/32/36/63/375323663.db2.gz YCMFUCXBNZERGN-UHFFFAOYSA-N 0 3 250.345 3.204 20 30 CGEDHN C=CCC[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000495124611 375497742 /nfs/dbraw/zinc/49/77/42/375497742.db2.gz WVVUWYTWQOMLNA-FUHWJXTLSA-N 0 3 298.430 3.089 20 30 CGEDHN C[C@@H]1CC[C@](CO)(N(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000495247360 375499343 /nfs/dbraw/zinc/49/93/43/375499343.db2.gz NDPZFKWGBOLRFJ-PBHICJAKSA-N 0 3 291.822 3.174 20 30 CGEDHN COC(=O)Nc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000497299832 375591824 /nfs/dbraw/zinc/59/18/24/375591824.db2.gz TWAJIMZJGVCPDG-UHFFFAOYSA-N 0 3 295.342 3.026 20 30 CGEDHN CN(CCCN(C)C(=O)OC(C)(C)C)CCC(C)(C)C#N ZINC000496938865 375567865 /nfs/dbraw/zinc/56/78/65/375567865.db2.gz BGLVNMHNLAJADJ-UHFFFAOYSA-N 0 3 297.443 3.115 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)C(C)C)C(C)C ZINC000498367155 375627381 /nfs/dbraw/zinc/62/73/81/375627381.db2.gz JPJHPWZGKUYHIH-CVEARBPZSA-N 0 3 280.456 3.093 20 30 CGEDHN CCN1C[C@H](C)N(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000498918032 375629035 /nfs/dbraw/zinc/62/90/35/375629035.db2.gz ZTYZGTUELOHGTG-CABCVRRESA-N 0 3 290.838 3.106 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000335998448 375605199 /nfs/dbraw/zinc/60/51/99/375605199.db2.gz GINVTAFPJZOJLS-ZWNOBZJWSA-N 0 3 262.740 3.163 20 30 CGEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000336072874 375664171 /nfs/dbraw/zinc/66/41/71/375664171.db2.gz JXZBMLLHSCDRAA-AAEUAGOBSA-N 0 3 283.331 3.041 20 30 CGEDHN Cc1ccc([C@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000336375135 375783210 /nfs/dbraw/zinc/78/32/10/375783210.db2.gz NXIWWEYNRYVQJU-DZGCQCFKSA-N 0 3 256.349 3.208 20 30 CGEDHN Cc1ccc2nc(CN[C@H]3CCC[C@@H](C#N)C3)[nH]c2c1 ZINC000336251899 375764437 /nfs/dbraw/zinc/76/44/37/375764437.db2.gz KSKDQTCENSJZEP-OLZOCXBDSA-N 0 3 268.364 3.043 20 30 CGEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sccc1C#N ZINC000192623987 375773261 /nfs/dbraw/zinc/77/32/61/375773261.db2.gz HSLPVUIMQBWNMP-YPMHNXCESA-N 0 3 291.420 3.069 20 30 CGEDHN C=C(C)CNCc1ccccc1OCC(F)(F)F ZINC000512348204 375796447 /nfs/dbraw/zinc/79/64/47/375796447.db2.gz YFSUBEYMMYVSRG-UHFFFAOYSA-N 0 3 259.271 3.293 20 30 CGEDHN C=CCCCNCc1nc2ccc(OC)cc2s1 ZINC000516146010 375817607 /nfs/dbraw/zinc/81/76/07/375817607.db2.gz GOBJPASLTWUQFR-UHFFFAOYSA-N 0 3 262.378 3.361 20 30 CGEDHN C=CCSCCNCc1cnc(-c2ccco2)s1 ZINC000193087494 375823891 /nfs/dbraw/zinc/82/38/91/375823891.db2.gz BSYLNIDGURSPLP-UHFFFAOYSA-N 0 3 280.418 3.412 20 30 CGEDHN CC(C)(C)CC(C)(C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000193455057 375879536 /nfs/dbraw/zinc/87/95/36/375879536.db2.gz ZDUMAXNHHQGPHH-UHFFFAOYSA-N 0 3 287.407 3.301 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000530039158 375937841 /nfs/dbraw/zinc/93/78/41/375937841.db2.gz ZUYPBUYSAHIJAN-FZMZJTMJSA-N 0 3 274.339 3.080 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000532080340 375948086 /nfs/dbraw/zinc/94/80/86/375948086.db2.gz XGFQVQGBKLSIIS-UHFFFAOYSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cscn1)C(C)C ZINC000535779651 376058342 /nfs/dbraw/zinc/05/83/42/376058342.db2.gz OWRDIDRHZNUKKZ-GOEBONIOSA-N 0 3 293.480 3.492 20 30 CGEDHN C=CCN(C[C@H](O)COc1c(C)ccc(C)c1C)C1CC1 ZINC000536742691 376128991 /nfs/dbraw/zinc/12/89/91/376128991.db2.gz WJTZRDROLRXQNR-KRWDZBQOSA-N 0 3 289.419 3.002 20 30 CGEDHN C=C(C)CCN[C@@H](CO)c1cccc(Cl)c1F ZINC000337231742 376151764 /nfs/dbraw/zinc/15/17/64/376151764.db2.gz UUCRQPOBYNEZJL-LBPRGKRZSA-N 0 3 257.736 3.068 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccccc1SC ZINC000337366413 376215450 /nfs/dbraw/zinc/21/54/50/376215450.db2.gz LVQOVPOAFCVYHQ-CHWSQXEVSA-N 0 3 265.422 3.386 20 30 CGEDHN C=C(CC)CNC1(C(=O)NCCCC)CCCCC1 ZINC000538015032 376219170 /nfs/dbraw/zinc/21/91/70/376219170.db2.gz JJPVYBVKFJLSLV-UHFFFAOYSA-N 0 3 266.429 3.161 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CC=CCC1 ZINC000540560319 376381487 /nfs/dbraw/zinc/38/14/87/376381487.db2.gz JSMUFYVLOQMCDS-IAGOWNOFSA-N 0 3 282.387 3.231 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N2CCCN(C(C)(C)C)CC2)c1 ZINC000541578088 376459456 /nfs/dbraw/zinc/45/94/56/376459456.db2.gz IOYXWRDDEQSJQT-UHFFFAOYSA-N 0 3 299.418 3.071 20 30 CGEDHN C=CC[C@@H](CC)NCc1cc(C(=O)OC)c(CC)o1 ZINC000338951503 376596716 /nfs/dbraw/zinc/59/67/16/376596716.db2.gz IOLSZKHTMDDCBC-LLVKDONJSA-N 0 3 265.353 3.073 20 30 CGEDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC#N)CC1 ZINC000542882038 376590184 /nfs/dbraw/zinc/59/01/84/376590184.db2.gz XHWRGULSIZRKKY-LBPRGKRZSA-N 0 3 273.336 3.281 20 30 CGEDHN CCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000232899874 376592852 /nfs/dbraw/zinc/59/28/52/376592852.db2.gz GMXZBSBJGFMUOX-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN C=CCn1c(C)nnc1SC[C@@H]1CCCCN1C(C)C ZINC000339117395 376692007 /nfs/dbraw/zinc/69/20/07/376692007.db2.gz SJOMSNOAPVBREY-AWEZNQCLSA-N 0 3 294.468 3.128 20 30 CGEDHN C=CCOCCN1CCc2c(cccc2C(C)C)C1 ZINC000339117489 376692898 /nfs/dbraw/zinc/69/28/98/376692898.db2.gz AIQFNRXKUVPKFO-UHFFFAOYSA-N 0 3 259.393 3.371 20 30 CGEDHN C=CCOc1cccc(CN[C@@H](C)c2cc[nH]c(=O)c2)c1 ZINC000339457892 376759900 /nfs/dbraw/zinc/75/99/00/376759900.db2.gz INSFYIJTXWMBOC-ZDUSSCGKSA-N 0 3 284.359 3.203 20 30 CGEDHN C=C(CNCc1c(CC)nn(C)c1CC)c1ccccc1 ZINC000339484058 376761254 /nfs/dbraw/zinc/76/12/54/376761254.db2.gz ZYPSANBAWYWUHB-UHFFFAOYSA-N 0 3 283.419 3.348 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccsc1 ZINC000339366282 376748460 /nfs/dbraw/zinc/74/84/60/376748460.db2.gz YTJNGJQCUMHVHN-MRXNPFEDSA-N 0 3 298.411 3.179 20 30 CGEDHN CN(CC#Cc1cccc(Cl)c1)C[C@@H]1CCCC[C@H]1O ZINC000245559018 376854127 /nfs/dbraw/zinc/85/41/27/376854127.db2.gz VVVGENHSJNNJLE-DOTOQJQBSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1ccccc1F ZINC000246076491 376962361 /nfs/dbraw/zinc/96/23/61/376962361.db2.gz YVCHMGOIKKJTDV-OLZOCXBDSA-N 0 3 251.345 3.146 20 30 CGEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(C#N)c1 ZINC000246203563 376986991 /nfs/dbraw/zinc/98/69/91/376986991.db2.gz WKCBDCMBNGMBTE-UKPHBRMFSA-N 0 3 297.402 3.150 20 30 CGEDHN C[C@@H](N[C@H](C)c1cc[nH]c(=O)c1)c1cccc(C#N)c1 ZINC000340451642 377068304 /nfs/dbraw/zinc/06/83/04/377068304.db2.gz SZYYZJJCRSHJSI-VXGBXAGGSA-N 0 3 267.332 3.071 20 30 CGEDHN C[C@H](NCc1ccc2c(c1)ncn2C)c1ccc(C#N)cc1 ZINC000341192174 377440899 /nfs/dbraw/zinc/44/08/99/377440899.db2.gz OHYKYMSYVXIYFU-ZDUSSCGKSA-N 0 3 290.370 3.296 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000249085603 377459342 /nfs/dbraw/zinc/45/93/42/377459342.db2.gz BQEDSNOAPAZISC-RKVPGOIHSA-N 0 3 294.402 3.399 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H](CO)c1ccccc1OC ZINC000563859866 377473980 /nfs/dbraw/zinc/47/39/80/377473980.db2.gz OAKOTCCIMIOIEC-HOCLYGCPSA-N 0 3 277.408 3.453 20 30 CGEDHN CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCS1 ZINC000249390291 377496711 /nfs/dbraw/zinc/49/67/11/377496711.db2.gz RBMUPXOIKXKFRC-IUODEOHRSA-N 0 3 260.406 3.447 20 30 CGEDHN CCCN(CCC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516572879 249237397 /nfs/dbraw/zinc/23/73/97/249237397.db2.gz QIJIEEWNJMXOJO-UHFFFAOYSA-N 0 3 261.325 3.088 20 30 CGEDHN Cc1noc([C@@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000265475186 190184887 /nfs/dbraw/zinc/18/48/87/190184887.db2.gz JYNWDHUMLHGUEE-MLGOLLRUSA-N 0 3 296.374 3.190 20 30 CGEDHN CC[C@@H](NCc1ccccc1CO)c1ccc(C#N)cc1 ZINC000518074347 249276249 /nfs/dbraw/zinc/27/62/49/249276249.db2.gz ZCVFSVKECJNTIC-GOSISDBHSA-N 0 3 280.371 3.291 20 30 CGEDHN CCN(CC)[C@H](CNc1cccc(C#N)n1)c1ccco1 ZINC000265562932 190189910 /nfs/dbraw/zinc/18/99/10/190189910.db2.gz SRSHSCILYBILCI-CQSZACIVSA-N 0 3 284.363 3.041 20 30 CGEDHN C=CCCN(C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000342733742 377762615 /nfs/dbraw/zinc/76/26/15/377762615.db2.gz NVCZDGXVPOAWDI-ZDUSSCGKSA-N 0 3 294.826 3.367 20 30 CGEDHN C=CCCC1(C(=O)N(CCC)CCN2CCCCC2)CC1 ZINC000342782629 377788043 /nfs/dbraw/zinc/78/80/43/377788043.db2.gz IORKKULMYFDXHK-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=C1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000264487380 377988048 /nfs/dbraw/zinc/98/80/48/377988048.db2.gz RSYTZGZJJGSBEU-CQSZACIVSA-N 0 3 296.208 3.135 20 30 CGEDHN Clc1ccc(C#CCN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000267406613 378037943 /nfs/dbraw/zinc/03/79/43/378037943.db2.gz SDYDXSZVZMDRIP-UHFFFAOYSA-N 0 3 299.805 3.294 20 30 CGEDHN C=CCCCCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000578428620 378068750 /nfs/dbraw/zinc/06/87/50/378068750.db2.gz ZXEYILHRMFCEFT-CYBMUJFWSA-N 0 3 253.777 3.140 20 30 CGEDHN CC(C)[C@H](C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000578450389 378071162 /nfs/dbraw/zinc/07/11/62/378071162.db2.gz YCEFLEUVCAZENI-WMLDXEAASA-N 0 3 299.418 3.030 20 30 CGEDHN N#CCc1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000343725238 378074988 /nfs/dbraw/zinc/07/49/88/378074988.db2.gz NKPYRMUGCUHVCG-SFHVURJKSA-N 0 3 277.371 3.485 20 30 CGEDHN CCCCN(CCCC)Cc1cnc2c(C#N)cnn2c1 ZINC000579008098 378122743 /nfs/dbraw/zinc/12/27/43/378122743.db2.gz IVQRJAYUMJULKU-UHFFFAOYSA-N 0 3 285.395 3.003 20 30 CGEDHN C=CCC[C@@H](O)CN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000268661194 378087041 /nfs/dbraw/zinc/08/70/41/378087041.db2.gz JBZGNRJVELXDLN-OCCSQVGLSA-N 0 3 294.464 3.342 20 30 CGEDHN CC(C)N(Cc1ccco1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268730715 378096591 /nfs/dbraw/zinc/09/65/91/378096591.db2.gz XKBHYUQDTXHXCV-QGZVFWFLSA-N 0 3 284.359 3.095 20 30 CGEDHN C=C(CC)CN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000580014642 378216540 /nfs/dbraw/zinc/21/65/40/378216540.db2.gz WVZLKVJAODHUHZ-KRWDZBQOSA-N 0 3 257.377 3.422 20 30 CGEDHN CC[C@@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000580709607 378251692 /nfs/dbraw/zinc/25/16/92/378251692.db2.gz HZBPIXJXPUDXMN-CVEARBPZSA-N 0 3 255.365 3.041 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCC1=CCCCC1 ZINC000580756383 378255491 /nfs/dbraw/zinc/25/54/91/378255491.db2.gz JXBBZDLPCMJSMZ-KRWDZBQOSA-N 0 3 282.387 3.376 20 30 CGEDHN C[C@]1(c2ccc(F)cc2)CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000580837971 378262595 /nfs/dbraw/zinc/26/25/95/378262595.db2.gz ODMMDVXJQHKEFP-JQFCIGGWSA-N 0 3 272.367 3.481 20 30 CGEDHN C[C@@H](NCc1ccc2cnn(C)c2c1)c1ccc(C#N)cc1 ZINC000583786188 378347035 /nfs/dbraw/zinc/34/70/35/378347035.db2.gz IREKWJNOWBWVLR-CYBMUJFWSA-N 0 3 290.370 3.296 20 30 CGEDHN C=CCOc1ccc(CNC(C)(C)[C@H](C)O)cc1Cl ZINC000270720253 378393354 /nfs/dbraw/zinc/39/33/54/378393354.db2.gz NVOHEEBYMKLUON-NSHDSACASA-N 0 3 283.799 3.154 20 30 CGEDHN COc1ccc(C)cc1[C@@H](C)NCCCSCC#N ZINC000271636282 378498697 /nfs/dbraw/zinc/49/86/97/378498697.db2.gz GKIHEIVHCOTMFJ-CYBMUJFWSA-N 0 3 278.421 3.301 20 30 CGEDHN C[C@H](NC[C@H]1CCCS1)c1ccc(C#N)c(F)c1 ZINC000346223055 378510193 /nfs/dbraw/zinc/51/01/93/378510193.db2.gz WAVCRZGZNQZYNM-GXFFZTMASA-N 0 3 264.369 3.244 20 30 CGEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000271987822 378537324 /nfs/dbraw/zinc/53/73/24/378537324.db2.gz YKQYNMRVHRSGIZ-ABAIWWIYSA-N 0 3 264.344 3.019 20 30 CGEDHN C[C@@H](NCCN1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000271958777 378530605 /nfs/dbraw/zinc/53/06/05/378530605.db2.gz TYMBLOQELPMRAR-CQSZACIVSA-N 0 3 289.398 3.080 20 30 CGEDHN Cc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271964604 378532290 /nfs/dbraw/zinc/53/22/90/378532290.db2.gz SEYSPYRHHWYVRP-UGSOOPFHSA-N 0 3 298.361 3.390 20 30 CGEDHN CC(C)[C@@H](O)C(C)(C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271983574 378536255 /nfs/dbraw/zinc/53/62/55/378536255.db2.gz XKBFKRMEWNJUEH-MLGOLLRUSA-N 0 3 292.398 3.391 20 30 CGEDHN C=CCOc1cccc(CN2CCCSCC2)c1 ZINC000272752069 378698961 /nfs/dbraw/zinc/69/89/61/378698961.db2.gz JYFDZMVIWGEESB-UHFFFAOYSA-N 0 3 263.406 3.190 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1cccc(O)c1 ZINC000272694356 378690511 /nfs/dbraw/zinc/69/05/11/378690511.db2.gz XMBWNNXWKBYQMH-UHFFFAOYSA-N 0 3 257.333 3.216 20 30 CGEDHN C=CCOCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000348034681 378759957 /nfs/dbraw/zinc/75/99/57/378759957.db2.gz NPFIFWLZUWSBDY-GOSISDBHSA-N 0 3 282.387 3.353 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc(Cl)cn1 ZINC000274864663 378909297 /nfs/dbraw/zinc/90/92/97/378909297.db2.gz DPPSSBOVZPOWBC-SNVBAGLBSA-N 0 3 256.802 3.305 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2cccnc2)c1 ZINC000346997319 218084381 /nfs/dbraw/zinc/08/43/81/218084381.db2.gz YKPCBSFJTJISMP-SFHVURJKSA-N 0 3 293.370 3.169 20 30 CGEDHN N#Cc1ccccc1N1CCCN(CCCCCF)CC1 ZINC000370280607 379002572 /nfs/dbraw/zinc/00/25/72/379002572.db2.gz WJASNRUAUWDYTE-UHFFFAOYSA-N 0 3 289.398 3.210 20 30 CGEDHN C=CCCCCCN(C)C(=S)NC[C@H]1CCCN1CC ZINC000739457765 572417874 /nfs/dbraw/zinc/41/78/74/572417874.db2.gz KTQWGLRTNRXLTC-OAHLLOKOSA-N 0 3 297.512 3.023 20 30 CGEDHN C=CCCN1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000277177968 379091235 /nfs/dbraw/zinc/09/12/35/379091235.db2.gz LBCQETPSVCVTDE-UHFFFAOYSA-N 0 3 294.420 3.075 20 30 CGEDHN CC[C@H](NC[C@H](O)c1ccsc1)c1ccc(C#N)cc1 ZINC000278791573 194157396 /nfs/dbraw/zinc/15/73/96/194157396.db2.gz QJMLXVQNRQVCAX-HOTGVXAUSA-N 0 3 286.400 3.394 20 30 CGEDHN C=CCC1(CNCc2snnc2C)CCCC1 ZINC000639254225 379198595 /nfs/dbraw/zinc/19/85/95/379198595.db2.gz WAXCCUWFNRLDJV-UHFFFAOYSA-N 0 3 251.399 3.073 20 30 CGEDHN CC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000278233644 379324455 /nfs/dbraw/zinc/32/44/55/379324455.db2.gz KPJGTYWVKSWCQQ-MSOLQXFVSA-N 0 3 298.361 3.472 20 30 CGEDHN COc1ccc(OC(F)F)c(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000349786465 379383168 /nfs/dbraw/zinc/38/31/68/379383168.db2.gz IAMAYCOQLCKLDN-JQWIXIFHSA-N 0 3 296.317 3.078 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OCC2CC2)C1 ZINC000349802268 379392469 /nfs/dbraw/zinc/39/24/69/379392469.db2.gz NBRDENONOXXAOZ-ZBFHGGJFSA-N 0 3 270.376 3.257 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1 ZINC000374007741 379362401 /nfs/dbraw/zinc/36/24/01/379362401.db2.gz KJQUXOWZEUPADC-OAHLLOKOSA-N 0 3 252.317 3.141 20 30 CGEDHN Cc1nc(C)c(CN[C@@H](C)c2cccc(C#N)c2)s1 ZINC000266653587 190273619 /nfs/dbraw/zinc/27/36/19/190273619.db2.gz WIPGYNIXIHFSGJ-JTQLQIEISA-N 0 3 271.389 3.482 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000376047681 379519450 /nfs/dbraw/zinc/51/94/50/379519450.db2.gz VURWFVQDLDYNPI-TYNCELHUSA-N 0 3 274.339 3.321 20 30 CGEDHN C=CCCCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267347797 190322952 /nfs/dbraw/zinc/32/29/52/190322952.db2.gz UMWDVOGYPWKAQN-UHFFFAOYSA-N 0 3 271.364 3.307 20 30 CGEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCCC2)cn1 ZINC000267387489 190326272 /nfs/dbraw/zinc/32/62/72/190326272.db2.gz MSZLDTOASLKPTJ-INIZCTEOSA-N 0 3 296.374 3.185 20 30 CGEDHN C=CC[C@@H](CC)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000281641286 379841679 /nfs/dbraw/zinc/84/16/79/379841679.db2.gz PAEANKOCJGLBFE-LSDHHAIUSA-N 0 3 295.448 3.102 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)c(F)c1 ZINC000352871576 380013970 /nfs/dbraw/zinc/01/39/70/380013970.db2.gz BQOKHASGPSGVGW-CZUORRHYSA-N 0 3 290.382 3.213 20 30 CGEDHN C=C(C)CN(CCC[C@@H](C)O)Cc1cnn(C(C)C)c1 ZINC000352899270 380025518 /nfs/dbraw/zinc/02/55/18/380025518.db2.gz CCZLLHNPWLWOMM-OAHLLOKOSA-N 0 3 279.428 3.003 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc(OC)c(O)c1 ZINC000353009416 380073128 /nfs/dbraw/zinc/07/31/28/380073128.db2.gz WBSVPBQKRJDYMZ-UHFFFAOYSA-N 0 3 287.359 3.225 20 30 CGEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc2n[nH]cc2c1 ZINC000353198819 380162594 /nfs/dbraw/zinc/16/25/94/380162594.db2.gz IKYIGLGKWIPVSU-LLVKDONJSA-N 0 3 294.333 3.424 20 30 CGEDHN N#Cc1ccc2c(c1)[C@H](NCCOC1CCCC1)CC2 ZINC000353261192 380194635 /nfs/dbraw/zinc/19/46/35/380194635.db2.gz CLFHPSLPZHZHKN-QGZVFWFLSA-N 0 3 270.376 3.094 20 30 CGEDHN COc1ccc([C@H](C)NCC(C)(C)CC#N)cc1F ZINC000414159819 380195537 /nfs/dbraw/zinc/19/55/37/380195537.db2.gz BZVKQRSRNNRYNR-NSHDSACASA-N 0 3 264.344 3.425 20 30 CGEDHN CC(C)(CC#N)CN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000414165677 380195994 /nfs/dbraw/zinc/19/59/94/380195994.db2.gz MHEYUZLCVBDPKK-KRWDZBQOSA-N 0 3 294.402 3.290 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000268272558 190391642 /nfs/dbraw/zinc/39/16/42/190391642.db2.gz HKCPRDIFEZAUGD-INIZCTEOSA-N 0 3 273.401 3.470 20 30 CGEDHN COc1ccc([C@@H](C)NCC(C)(C)CC#N)c(OC)c1 ZINC000414167706 380197518 /nfs/dbraw/zinc/19/75/18/380197518.db2.gz POHPVIAXOSANEZ-GFCCVEGCSA-N 0 3 276.380 3.294 20 30 CGEDHN COc1ccsc1[C@H](C)NCC(C)(C)CC#N ZINC000414172131 380198709 /nfs/dbraw/zinc/19/87/09/380198709.db2.gz VOLYCPQWNNYPIP-JTQLQIEISA-N 0 3 252.383 3.347 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2n[nH]cc2c1 ZINC000353978424 380261163 /nfs/dbraw/zinc/26/11/63/380261163.db2.gz LAULUAGYXHAUPA-SLEUVZQESA-N 0 3 268.364 3.296 20 30 CGEDHN CN(CCNc1cc(C#N)ccc1C(F)(F)F)C1CC1 ZINC000355333137 380646979 /nfs/dbraw/zinc/64/69/79/380646979.db2.gz PUUTUFFZVMMTRV-UHFFFAOYSA-N 0 3 283.297 3.083 20 30 CGEDHN C=CCCN1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421043530 380869626 /nfs/dbraw/zinc/86/96/26/380869626.db2.gz QVUAPWFESZJMMN-UHFFFAOYSA-N 0 3 261.365 3.244 20 30 CGEDHN C[C@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000357099428 381028410 /nfs/dbraw/zinc/02/84/10/381028410.db2.gz HGPIUVPQMPQQNW-AWEZNQCLSA-N 0 3 267.376 3.433 20 30 CGEDHN C=C(C)COCCN[C@@H](CC)c1cccc(OC)c1 ZINC000358263823 381298998 /nfs/dbraw/zinc/29/89/98/381298998.db2.gz HLXASWWWNOTIQV-INIZCTEOSA-N 0 3 263.381 3.329 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000358293188 381301643 /nfs/dbraw/zinc/30/16/43/381301643.db2.gz XQOBKSIKFVXMTB-HNNXBMFYSA-N 0 3 285.391 3.116 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000360115290 381452765 /nfs/dbraw/zinc/45/27/65/381452765.db2.gz LLJNPNOADROJHK-OLZOCXBDSA-N 0 3 291.826 3.126 20 30 CGEDHN Cn1cc(CN2CCC[C@H]3CCCC[C@@H]32)cc1C#N ZINC000361551916 381799341 /nfs/dbraw/zinc/79/93/41/381799341.db2.gz XTEBYPHOJASZMW-ZBFHGGJFSA-N 0 3 257.381 3.051 20 30 CGEDHN COCCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CC[C@H](C)C1 ZINC000362166026 381894346 /nfs/dbraw/zinc/89/43/46/381894346.db2.gz WZINKWJPUAVANM-XJKSGUPXSA-N 0 3 290.382 3.334 20 30 CGEDHN COCCN(Cc1ccc(F)c(C#N)c1)[C@H]1CC[C@H](C)C1 ZINC000362166021 381893989 /nfs/dbraw/zinc/89/39/89/381893989.db2.gz WZINKWJPUAVANM-BBRMVZONSA-N 0 3 290.382 3.334 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289311721 197292198 /nfs/dbraw/zinc/29/21/98/197292198.db2.gz JGATVBVEWNALFQ-GOSISDBHSA-N 0 3 277.371 3.333 20 30 CGEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)s1 ZINC000289241242 197272838 /nfs/dbraw/zinc/27/28/38/197272838.db2.gz DSRDUALPBOQSHK-QWHCGFSZSA-N 0 3 278.421 3.135 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000347140583 533107865 /nfs/dbraw/zinc/10/78/65/533107865.db2.gz UJNXTJQCXHQTDE-AWEZNQCLSA-N 0 3 278.355 3.472 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187204464 260029271 /nfs/dbraw/zinc/02/92/71/260029271.db2.gz WEFXZTVDNBDTEB-VYDXJSESSA-N 0 3 288.435 3.396 20 30 CGEDHN COc1cc(CNCc2ccc(C#N)c(OC)c2)ccc1C ZINC000281650565 195322773 /nfs/dbraw/zinc/32/27/73/195322773.db2.gz JUKZMOZCYOPNPD-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCC1 ZINC000189821064 130026800 /nfs/dbraw/zinc/02/68/00/130026800.db2.gz KQVJBKMFFHPLAF-SJORKVTESA-N 0 3 298.430 3.294 20 30 CGEDHN N#Cc1ccc(CNCCc2ccccc2OC(F)F)o1 ZINC000190883475 130158200 /nfs/dbraw/zinc/15/82/00/130158200.db2.gz OHUMRYLZRUUPIB-UHFFFAOYSA-N 0 3 292.285 3.085 20 30 CGEDHN C=CCSCCNCc1ccc(Br)o1 ZINC000190958144 130165364 /nfs/dbraw/zinc/16/53/64/130165364.db2.gz WLLWLXOPBRRTGT-UHFFFAOYSA-N 0 3 276.199 3.051 20 30 CGEDHN Cc1cc(C)cc([C@@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000190982859 130167737 /nfs/dbraw/zinc/16/77/37/130167737.db2.gz RLLVDXAOMLDBFR-CQSZACIVSA-N 0 3 267.376 3.364 20 30 CGEDHN Cn1cc(CNC(C)(C)c2cccc(F)c2)cc1C#N ZINC000191138396 130188316 /nfs/dbraw/zinc/18/83/16/130188316.db2.gz KMBQZZHMOSIAAO-UHFFFAOYSA-N 0 3 271.339 3.061 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)Sc1ccccc1 ZINC000191226134 130205450 /nfs/dbraw/zinc/20/54/50/130205450.db2.gz JQFLXKZJVZIPOS-ZDUSSCGKSA-N 0 3 285.416 3.167 20 30 CGEDHN C[C@@H](N[C@H]1CCCC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000191304188 130219076 /nfs/dbraw/zinc/21/90/76/130219076.db2.gz HNTQRXOPLDDTIB-DOMZBBRYSA-N 0 3 285.391 3.054 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ncc[nH]1 ZINC000414302060 542635572 /nfs/dbraw/zinc/63/55/72/542635572.db2.gz MLCQPCXZIHJRRL-ZFWWWQNUSA-N 0 3 255.365 3.248 20 30 CGEDHN CN(C)[C@@H](CNCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000048777707 392014984 /nfs/dbraw/zinc/01/49/84/392014984.db2.gz GOOBKOHTNXOASA-SFHVURJKSA-N 0 3 297.377 3.090 20 30 CGEDHN C=CCCCCCN(C)Cc1cnc2ccc(C#N)cn12 ZINC000093498000 392236826 /nfs/dbraw/zinc/23/68/26/392236826.db2.gz NTYDDGDIZFYMRZ-UHFFFAOYSA-N 0 3 282.391 3.384 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282394282 392291233 /nfs/dbraw/zinc/29/12/33/392291233.db2.gz HCSJBJJUWUQGID-NRSFXHEJSA-N 0 3 298.430 3.088 20 30 CGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361839311 392340115 /nfs/dbraw/zinc/34/01/15/392340115.db2.gz HVUAXZQHJKEVCZ-HZPDHXFCSA-N 0 3 290.382 3.333 20 30 CGEDHN C=CCC[C@H](NC[C@H](O)[C@H](C)CC)c1ccco1 ZINC000286013353 392362666 /nfs/dbraw/zinc/36/26/66/392362666.db2.gz JHGYMOYRQURCJU-RDBSUJKOSA-N 0 3 251.370 3.284 20 30 CGEDHN C=CCCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000121163824 392408420 /nfs/dbraw/zinc/40/84/20/392408420.db2.gz ZKSVSWIFWPDXNQ-HNNXBMFYSA-N 0 3 274.408 3.104 20 30 CGEDHN COCC[C@@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000372100792 392583832 /nfs/dbraw/zinc/58/38/32/392583832.db2.gz FBBZMNCHQTWFDZ-KRWDZBQOSA-N 0 3 289.394 3.316 20 30 CGEDHN CC(C)N(CCc1cscn1)Cc1ccc(C#N)cc1 ZINC000295459901 392546034 /nfs/dbraw/zinc/54/60/34/392546034.db2.gz HSKKWCQWTRFEIJ-UHFFFAOYSA-N 0 3 285.416 3.468 20 30 CGEDHN CCc1cnc(CNCC(C)(C)CCC#N)s1 ZINC000174626670 392644120 /nfs/dbraw/zinc/64/41/20/392644120.db2.gz SUPVFTHOTANBAP-UHFFFAOYSA-N 0 3 251.399 3.125 20 30 CGEDHN CN(Cc1ccccc1[N+](=O)[O-])CC(C)(C)CCC#N ZINC000179316945 392696047 /nfs/dbraw/zinc/69/60/47/392696047.db2.gz WJMXRSNZJQRNOX-UHFFFAOYSA-N 0 3 275.352 3.357 20 30 CGEDHN COc1cc(CN(C)Cc2ccc(C#N)cc2C)ccc1O ZINC000186205689 392778007 /nfs/dbraw/zinc/77/80/07/392778007.db2.gz WDFUYAXXSISOTR-UHFFFAOYSA-N 0 3 296.370 3.213 20 30 CGEDHN CC(C#N)C(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000335755654 392814299 /nfs/dbraw/zinc/81/42/99/392814299.db2.gz YFDSJLHQGWMRJE-NSHDSACASA-N 0 3 276.767 3.206 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(OC(C)C)cc1 ZINC000191761372 392833912 /nfs/dbraw/zinc/83/39/12/392833912.db2.gz JZNDDBVPYCXNNK-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN C=CC[C@@H]1N(Cc2snnc2C)CCCC1(C)C ZINC000519643788 392876690 /nfs/dbraw/zinc/87/66/90/392876690.db2.gz CJLRWNQPUJKNTG-ZDUSSCGKSA-N 0 3 265.426 3.413 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(OCc3ccccc3)CC2)C1 ZINC000338886868 392933917 /nfs/dbraw/zinc/93/39/17/392933917.db2.gz ONTIJEWWYSYEML-IRXDYDNUSA-N 0 3 284.403 3.360 20 30 CGEDHN Cc1cc(C)cc([C@@H]2CCN(CCOCCC#N)C2)c1 ZINC000339083392 392947857 /nfs/dbraw/zinc/94/78/57/392947857.db2.gz RVKXSQKXCBUFDN-MRXNPFEDSA-N 0 3 272.392 3.023 20 30 CGEDHN CC(C)(C#N)CCN1Cc2ccccc2C2(CC2)C1 ZINC000347255652 393101643 /nfs/dbraw/zinc/10/16/43/393101643.db2.gz UPBBCYMYBMLTFX-UHFFFAOYSA-N 0 3 254.377 3.474 20 30 CGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)CCOC(C)C ZINC000348206664 393116199 /nfs/dbraw/zinc/11/61/99/393116199.db2.gz RCHDBAGUDJRATK-SFHVURJKSA-N 0 3 291.435 3.241 20 30 CGEDHN C=CCOc1ccc(CN(C)C[C@H](C)OC)cc1Cl ZINC000348847015 393134558 /nfs/dbraw/zinc/13/45/58/393134558.db2.gz HLCRWZBGKKRRCY-LBPRGKRZSA-N 0 3 283.799 3.372 20 30 CGEDHN C=C(C)CCNCc1cnc(-c2ccccc2)nc1 ZINC000570770749 393197906 /nfs/dbraw/zinc/19/79/06/393197906.db2.gz FRWXOZGBHIHFCU-UHFFFAOYSA-N 0 3 253.349 3.199 20 30 CGEDHN C=CCOc1cccc(CN2CCC[C@@](C)(OC)C2)c1 ZINC000355215022 393263176 /nfs/dbraw/zinc/26/31/76/393263176.db2.gz HVRAAFQMBNUNCV-QGZVFWFLSA-N 0 3 275.392 3.252 20 30 CGEDHN C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427011137 393452674 /nfs/dbraw/zinc/45/26/74/393452674.db2.gz CIXRRMSTVAOMGV-GFCCVEGCSA-N 0 3 267.294 3.399 20 30 CGEDHN C[C@H](O)CN(Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000428227215 393460950 /nfs/dbraw/zinc/46/09/50/393460950.db2.gz IAKTYJPFFCEZCO-ZDUSSCGKSA-N 0 3 290.382 3.213 20 30 CGEDHN Cc1cc(CN[C@H](CCCO)c2ccccc2)ccc1C#N ZINC000488156088 393463975 /nfs/dbraw/zinc/46/39/75/393463975.db2.gz ARSWFOQMLJZYLG-LJQANCHMSA-N 0 3 294.398 3.470 20 30 CGEDHN N#CCCCN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358986328 393531903 /nfs/dbraw/zinc/53/19/03/393531903.db2.gz NPQQDVHPDGJRMS-MRXNPFEDSA-N 0 3 280.375 3.143 20 30 CGEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000613255460 542776258 /nfs/dbraw/zinc/77/62/58/542776258.db2.gz FKZMSSMKPYUXKD-HIFRSBDPSA-N 0 3 258.365 3.176 20 30 CGEDHN N#Cc1ccc(SCCN2CCCCC2)c(F)c1 ZINC000488802906 393557303 /nfs/dbraw/zinc/55/73/03/393557303.db2.gz RYKPZJAEUUOZAL-UHFFFAOYSA-N 0 3 264.369 3.275 20 30 CGEDHN Cc1cc(CN[C@@H]2CCO[C@H]2c2ccccc2)ccc1C#N ZINC000488972068 393568013 /nfs/dbraw/zinc/56/80/13/393568013.db2.gz BFEWMSORZYYTRW-MOPGFXCFSA-N 0 3 292.382 3.487 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(Cl)c1 ZINC000449546909 393895267 /nfs/dbraw/zinc/89/52/67/393895267.db2.gz FLEJDGZVEGCIIM-KGLIPLIRSA-N 0 3 251.757 3.163 20 30 CGEDHN CC(C)[C@@H]1CN(Cc2cc(C#N)n(C)c2)[C@H]1C(C)C ZINC000449559763 393903098 /nfs/dbraw/zinc/90/30/98/393903098.db2.gz ZAPKCHLMYQXIEJ-HOTGVXAUSA-N 0 3 259.397 3.009 20 30 CGEDHN CC[C@@H]1CN(CC)CCN1CCCCC(C)(C)C#N ZINC000451745665 394047893 /nfs/dbraw/zinc/04/78/93/394047893.db2.gz XXEXJYABYOGNRS-OAHLLOKOSA-N 0 3 265.445 3.123 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1cnn2c1CCC2 ZINC000667556851 542888861 /nfs/dbraw/zinc/88/88/61/542888861.db2.gz HPHIWILFNCCZMU-UHFFFAOYSA-N 0 3 281.403 3.060 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](CO)c1ccc(F)cc1F ZINC000668745923 543054746 /nfs/dbraw/zinc/05/47/46/543054746.db2.gz IFLOUVDOBIYCKN-RWSFTLGLSA-N 0 3 269.335 3.189 20 30 CGEDHN C=CCC[C@@H](N[C@@H]1CCN(CC2CC2)C1)c1ccco1 ZINC000671746815 543185313 /nfs/dbraw/zinc/18/53/13/543185313.db2.gz MDXURZIMMPHIJU-HZPDHXFCSA-N 0 3 274.408 3.361 20 30 CGEDHN C=C(Cl)CN[C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000286270898 397671521 /nfs/dbraw/zinc/67/15/21/397671521.db2.gz VMZNXYPWLDCEOB-LLVKDONJSA-N 0 3 283.799 3.285 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000650253312 397809788 /nfs/dbraw/zinc/80/97/88/397809788.db2.gz KVVCAOUXCSLCRZ-INIZCTEOSA-N 0 3 295.373 3.156 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000676740262 543415163 /nfs/dbraw/zinc/41/51/63/543415163.db2.gz PKGMJEVJVJBISL-KBXCAEBGSA-N 0 3 298.386 3.462 20 30 CGEDHN COCC#CCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000676748727 543416072 /nfs/dbraw/zinc/41/60/72/543416072.db2.gz YCBSDBGLGCJPRV-HNNXBMFYSA-N 0 3 296.370 3.174 20 30 CGEDHN C=C(C)[C@H](CO)N(C)Cc1ccc2ccccc2c1 ZINC000677047905 543427969 /nfs/dbraw/zinc/42/79/69/543427969.db2.gz JUWRKPYLBGQCNM-KRWDZBQOSA-N 0 3 255.361 3.209 20 30 CGEDHN COCC#CCN1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000677132719 543435549 /nfs/dbraw/zinc/43/55/49/543435549.db2.gz OIZBNHPJPMFVSX-SFHVURJKSA-N 0 3 287.403 3.262 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(=Cc2cccc(OC)c2)CC1 ZINC000678049345 543479291 /nfs/dbraw/zinc/47/92/91/543479291.db2.gz IEWYGKZFNDAAEF-SFHVURJKSA-N 0 3 287.403 3.111 20 30 CGEDHN CO[C@H]1CCN([C@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000296165618 286061840 /nfs/dbraw/zinc/06/18/40/286061840.db2.gz UQYCXHSNLNVOIB-CJNGLKHVSA-N 0 3 272.392 3.366 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1cccc(Cl)c1 ZINC000678736551 543551328 /nfs/dbraw/zinc/55/13/28/543551328.db2.gz XEXNJIMSJWSBAH-UONOGXRCSA-N 0 3 253.773 3.318 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000678729349 543551611 /nfs/dbraw/zinc/55/16/11/543551611.db2.gz QWFZUESMFPTNQP-GWCFXTLKSA-N 0 3 273.298 3.293 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000678794008 543559553 /nfs/dbraw/zinc/55/95/53/543559553.db2.gz CGEDVGBWKMQOHI-KDOFPFPSSA-N 0 3 282.387 3.336 20 30 CGEDHN N#Cc1ccc(OCCNCc2ccccc2Cl)cc1 ZINC000072948683 287000441 /nfs/dbraw/zinc/00/04/41/287000441.db2.gz BBKZKQSMIJUGFY-UHFFFAOYSA-N 0 3 286.762 3.380 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCCCO1 ZINC000271930938 287050582 /nfs/dbraw/zinc/05/05/82/287050582.db2.gz IEEIDXAPVXSRTH-ZENOOKHLSA-N 0 3 258.365 3.166 20 30 CGEDHN CC(=O)Nc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000127387662 287286840 /nfs/dbraw/zinc/28/68/40/287286840.db2.gz VPZAEBZCIQHZNJ-UHFFFAOYSA-N 0 3 293.370 3.149 20 30 CGEDHN C[C@@H](CNc1cccc(F)c1C#N)N1CCC[C@H](C)C1 ZINC000071954250 176304495 /nfs/dbraw/zinc/30/44/95/176304495.db2.gz NPHIRKILUGDKNF-STQMWFEESA-N 0 3 275.371 3.230 20 30 CGEDHN C=CCOCCN[C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000679576083 543647818 /nfs/dbraw/zinc/64/78/18/543647818.db2.gz HKQXZWQVECENDT-OAHLLOKOSA-N 0 3 290.363 3.023 20 30 CGEDHN C=CCOCCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000679576172 543647838 /nfs/dbraw/zinc/64/78/38/543647838.db2.gz JVKMSEUYNGQWBW-CQSZACIVSA-N 0 3 281.783 3.346 20 30 CGEDHN C=C(C)[C@H](CO)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000680418549 543710202 /nfs/dbraw/zinc/71/02/02/543710202.db2.gz ZOUORIRIYHKWSX-DOMZBBRYSA-N 0 3 289.375 3.337 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000345817199 225620006 /nfs/dbraw/zinc/62/00/06/225620006.db2.gz XEVKFMCAYZZVQP-CYBMUJFWSA-N 0 3 280.327 3.255 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000131927790 287393173 /nfs/dbraw/zinc/39/31/73/287393173.db2.gz KYZWSUPMBZLZIZ-KSSFIOAISA-N 0 3 293.370 3.168 20 30 CGEDHN C=CCOc1ccc(CN2CCC23CCOCC3)cc1 ZINC000683718782 543934769 /nfs/dbraw/zinc/93/47/69/543934769.db2.gz PUCYCFZFKBLNPW-UHFFFAOYSA-N 0 3 273.376 3.006 20 30 CGEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(C)C#N ZINC000347029267 226019093 /nfs/dbraw/zinc/01/90/93/226019093.db2.gz ALVTWLXYAKEGFM-QWRGUYRKSA-N 0 3 299.399 3.455 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(c2cccc(Cl)c2)CC1 ZINC000684624821 544021949 /nfs/dbraw/zinc/02/19/49/544021949.db2.gz XPHMFJIQPAANGU-MRXNPFEDSA-N 0 3 279.811 3.456 20 30 CGEDHN C=CCOCCNCc1cc(Cl)ccc1OCC1CC1 ZINC000684663808 544024141 /nfs/dbraw/zinc/02/41/41/544024141.db2.gz AYYJTUXYELQYEO-UHFFFAOYSA-N 0 3 295.810 3.421 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2c(s1)CCCC2 ZINC000684767450 544027696 /nfs/dbraw/zinc/02/76/96/544027696.db2.gz KJFMESUNMGVDBX-WBMJQRKESA-N 0 3 292.448 3.093 20 30 CGEDHN C=CCOc1ccc(CN2CC(C(C)C)C2)cc1OC ZINC000684407225 543994371 /nfs/dbraw/zinc/99/43/71/543994371.db2.gz ASJPWOWUWTZDTK-UHFFFAOYSA-N 0 3 275.392 3.348 20 30 CGEDHN C=CC(C)(C)CNCc1cnc(-c2ccccc2)nc1 ZINC000580515723 335077816 /nfs/dbraw/zinc/07/78/16/335077816.db2.gz QCASLLKODRZFID-UHFFFAOYSA-N 0 3 267.376 3.445 20 30 CGEDHN N#CC(C(=O)c1ccc2sccc2c1)c1ccncn1 ZINC000354462804 227001170 /nfs/dbraw/zinc/00/11/70/227001170.db2.gz ILMJDPYSUCMQNJ-GFCCVEGCSA-N 0 3 279.324 3.181 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@H](C)[C@H]2CCC)nn1 ZINC000653582192 419053898 /nfs/dbraw/zinc/05/38/98/419053898.db2.gz BCDCQRQOIAURDR-GOEBONIOSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)nn1 ZINC000653608522 419059008 /nfs/dbraw/zinc/05/90/08/419059008.db2.gz VEKFGAXCXFXZBI-DJIMGWMZSA-N 0 3 290.455 3.405 20 30 CGEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000656224826 419154773 /nfs/dbraw/zinc/15/47/73/419154773.db2.gz AAZPTFLNKJGCNK-SJLPKXTDSA-N 0 3 297.402 3.190 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCCc3ccccc32)nn1 ZINC000657299588 419245838 /nfs/dbraw/zinc/24/58/38/419245838.db2.gz YZTXIMFCGGRSIQ-INIZCTEOSA-N 0 3 296.418 3.064 20 30 CGEDHN C=C(CNCc1c(C2CC2)cnn1C)c1ccccc1 ZINC000657334148 419252687 /nfs/dbraw/zinc/25/26/87/419252687.db2.gz NYNLKRMZVIANDS-UHFFFAOYSA-N 0 3 267.376 3.101 20 30 CGEDHN C=CC[C@@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000661381947 419255065 /nfs/dbraw/zinc/25/50/65/419255065.db2.gz QOQGSARFIIMZRH-CQSZACIVSA-N 0 3 297.402 3.166 20 30 CGEDHN OC1([C@H]2CCCCN2CC#Cc2cccc(Cl)c2)CC1 ZINC000656708103 419205548 /nfs/dbraw/zinc/20/55/48/419205548.db2.gz BQIGQVSDNAYAGU-MRXNPFEDSA-N 0 3 289.806 3.071 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C)n1CCC ZINC000661114766 419231906 /nfs/dbraw/zinc/23/19/06/419231906.db2.gz MCIAPUJSMNIDCT-CABCVRRESA-N 0 3 276.428 3.221 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2ccccn2)no1 ZINC000661115681 419232198 /nfs/dbraw/zinc/23/21/98/419232198.db2.gz DKWUFAJWGOMAKZ-ZIAGYGMSSA-N 0 3 298.390 3.356 20 30 CGEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@@H]2CC)nn1 ZINC000657478115 419288256 /nfs/dbraw/zinc/28/82/56/419288256.db2.gz FIAVETSXPHETSS-GJZGRUSLSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc2n(n1)CCC2 ZINC000657530427 419299810 /nfs/dbraw/zinc/29/98/10/419299810.db2.gz PIXAKNQSFIXVHT-CJNGLKHVSA-N 0 3 259.397 3.054 20 30 CGEDHN C=CCC1(NCC(=O)Nc2cccc(F)c2)CCCC1 ZINC000661851938 419304751 /nfs/dbraw/zinc/30/47/51/419304751.db2.gz YMHFMULQHZZYKU-UHFFFAOYSA-N 0 3 276.355 3.243 20 30 CGEDHN C=CCCC1(CNCc2cc3n(n2)CCC3)CCCC1 ZINC000657567073 419307424 /nfs/dbraw/zinc/30/74/24/419307424.db2.gz IIFNVYIQQSDGCJ-UHFFFAOYSA-N 0 3 273.424 3.446 20 30 CGEDHN C=CCOCCCNCc1cccc(F)c1OC(F)F ZINC000657658849 419320656 /nfs/dbraw/zinc/32/06/56/419320656.db2.gz HEFBFKUMSFKWML-UHFFFAOYSA-N 0 3 289.297 3.109 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000662078325 419332976 /nfs/dbraw/zinc/33/29/76/419332976.db2.gz ALUZZVAZVYAFFN-BHYGNILZSA-N 0 3 296.414 3.147 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCOc1ccccc1C(C)=O ZINC000662078528 419333506 /nfs/dbraw/zinc/33/35/06/419333506.db2.gz HYHHRKUBCYSFSI-IYBDPMFKSA-N 0 3 285.387 3.451 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000662084883 419334725 /nfs/dbraw/zinc/33/47/25/419334725.db2.gz XXBCAUATZIEWQD-NCOADZHNSA-N 0 3 290.451 3.207 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1c(C)cc(C)nc1OC ZINC000662089734 419335020 /nfs/dbraw/zinc/33/50/20/419335020.db2.gz DMZVTMZYMKTTEL-GASCZTMLSA-N 0 3 272.392 3.390 20 30 CGEDHN C=CCCC(C)(C)NCc1cnnn1-c1ccccc1 ZINC000657806351 419361732 /nfs/dbraw/zinc/36/17/32/419361732.db2.gz MECRRBZNCUOPDT-UHFFFAOYSA-N 0 3 270.380 3.102 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cc(F)cc(F)c1 ZINC000658208944 419660721 /nfs/dbraw/zinc/66/07/21/419660721.db2.gz AGKBSDWSKOBJTL-LLVKDONJSA-N 0 3 255.308 3.208 20 30 CGEDHN C=C(C)[C@@H](NCCc1cncn1C)c1ccc(F)c(F)c1 ZINC000298545236 260156665 /nfs/dbraw/zinc/15/66/65/260156665.db2.gz UBKWLESFZYDIRK-MRXNPFEDSA-N 0 3 291.345 3.148 20 30 CGEDHN N#CCC1(CNCc2cc(Br)cs2)CC1 ZINC000083854429 260190554 /nfs/dbraw/zinc/19/05/54/260190554.db2.gz NQQJRNSJFYMPCK-UHFFFAOYSA-N 0 3 285.210 3.294 20 30 CGEDHN C=C(CC)CNCc1cnc(C)n1-c1ccccc1 ZINC000313499095 260299791 /nfs/dbraw/zinc/29/97/91/260299791.db2.gz OBUNKKJRBZTKLJ-UHFFFAOYSA-N 0 3 255.365 3.237 20 30 CGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCCC[C@H]1O ZINC000517833141 260310443 /nfs/dbraw/zinc/31/04/43/260310443.db2.gz ULFJDHHISNXXMD-QZTJIDSGSA-N 0 3 284.403 3.097 20 30 CGEDHN CC(C)(C#N)CCN1CCC(OC2CCCC2)CC1 ZINC000119612163 260628728 /nfs/dbraw/zinc/62/87/28/260628728.db2.gz KNNXFUAZYCNMDB-UHFFFAOYSA-N 0 3 264.413 3.350 20 30 CGEDHN Cc1cccc(NC2CCN(CCCC#N)CC2)c1 ZINC000153035345 261072688 /nfs/dbraw/zinc/07/26/88/261072688.db2.gz FBJPUOZGHMAPMY-UHFFFAOYSA-N 0 3 257.381 3.175 20 30 CGEDHN C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000364671769 262256693 /nfs/dbraw/zinc/25/66/93/262256693.db2.gz ASGUTSQLRLZBGX-MSOLQXFVSA-N 0 3 298.430 3.218 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000365252554 262354868 /nfs/dbraw/zinc/35/48/68/262354868.db2.gz CKYDAPXFEPWLBR-OALUTQOASA-N 0 3 283.415 3.177 20 30 CGEDHN N#CCC1(CNCc2cccc3cccnc32)CC1 ZINC000159431168 262354994 /nfs/dbraw/zinc/35/49/94/262354994.db2.gz IEJYTOPVOQVMSC-UHFFFAOYSA-N 0 3 251.333 3.018 20 30 CGEDHN C(#Cc1ccccc1)CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000365252558 262355036 /nfs/dbraw/zinc/35/50/36/262355036.db2.gz CKYDAPXFEPWLBR-RTBURBONSA-N 0 3 283.415 3.177 20 30 CGEDHN C(#Cc1ccccc1)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365279281 262357816 /nfs/dbraw/zinc/35/78/16/262357816.db2.gz XUCIQXFPVBOQCK-WOJBJXKFSA-N 0 3 291.394 3.406 20 30 CGEDHN CC1(C#N)CCN(CCSc2ccccc2)CC1 ZINC000227354447 262388687 /nfs/dbraw/zinc/38/86/87/262388687.db2.gz WWLZRCLCCUADHV-UHFFFAOYSA-N 0 3 260.406 3.404 20 30 CGEDHN C[C@@H](CCC#N)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000411143404 262680857 /nfs/dbraw/zinc/68/08/57/262680857.db2.gz HZEPQBNXTNUOBB-GJZGRUSLSA-N 0 3 285.391 3.029 20 30 CGEDHN COc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)CCCO2 ZINC000414161888 262819207 /nfs/dbraw/zinc/81/92/07/262819207.db2.gz GGQOOMRUDXTQQC-OAHLLOKOSA-N 0 3 288.391 3.438 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000272058829 263001795 /nfs/dbraw/zinc/00/17/95/263001795.db2.gz WFEWBCWPYRWYGQ-ZIAGYGMSSA-N 0 3 276.380 3.107 20 30 CGEDHN N#CCCCN[C@@H]1CCc2c1cc(Br)cc2F ZINC000273210494 263014010 /nfs/dbraw/zinc/01/40/10/263014010.db2.gz KFJBMRNYCQFCJX-CYBMUJFWSA-N 0 3 297.171 3.469 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)c2ccc(Cl)cc2)C1 ZINC000274193106 263021810 /nfs/dbraw/zinc/02/18/10/263021810.db2.gz INUVAJKJKZUGSI-UGFHNGPFSA-N 0 3 278.783 3.045 20 30 CGEDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC#N)c1[O-] ZINC000275293231 263033022 /nfs/dbraw/zinc/03/30/22/263033022.db2.gz GSLBCTWKQVUGCC-SNVBAGLBSA-N 0 3 297.196 3.418 20 30 CGEDHN Cc1ccccc1OCCCN(C)[C@H](C)CCC#N ZINC000276342692 263036295 /nfs/dbraw/zinc/03/62/95/263036295.db2.gz UMFKZPFPKSBPKD-OAHLLOKOSA-N 0 3 260.381 3.388 20 30 CGEDHN CN(CCOc1cccc(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000278525510 263048580 /nfs/dbraw/zinc/04/85/80/263048580.db2.gz DEMRRKQZUUTQHO-OCCSQVGLSA-N 0 3 278.783 3.343 20 30 CGEDHN CCc1ccccc1CCN1CCC(C)(C#N)CC1 ZINC000278873035 263051575 /nfs/dbraw/zinc/05/15/75/263051575.db2.gz SSJBDTOEBPNSNO-UHFFFAOYSA-N 0 3 256.393 3.417 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000282260653 263075441 /nfs/dbraw/zinc/07/54/41/263075441.db2.gz JYOGNNHNXKQTDK-WJCKQCIISA-N 0 3 292.329 3.077 20 30 CGEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CCCC(C)(C)C#N ZINC000283757784 263084025 /nfs/dbraw/zinc/08/40/25/263084025.db2.gz MFVBLGRKKABKBY-CVEARBPZSA-N 0 3 298.434 3.370 20 30 CGEDHN C=CCC[C@@H](O)CN1Cc2ccccc2C(C)(C)C1 ZINC000340229912 263098409 /nfs/dbraw/zinc/09/84/09/263098409.db2.gz AXSNRVKZZMYIHJ-OAHLLOKOSA-N 0 3 259.393 3.107 20 30 CGEDHN CC(C)(C#N)CCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000287079299 263100813 /nfs/dbraw/zinc/10/08/13/263100813.db2.gz WGQVCUJFBBNWJO-CQSZACIVSA-N 0 3 280.799 3.293 20 30 CGEDHN CC1(CN2CCN([C@H](C#N)c3ccccc3)CC2)CCC1 ZINC000340291344 263105210 /nfs/dbraw/zinc/10/52/10/263105210.db2.gz PQHQQQVCRGFFGQ-QGZVFWFLSA-N 0 3 283.419 3.059 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1c1cccc(C)c1 ZINC000340409399 263136878 /nfs/dbraw/zinc/13/68/78/263136878.db2.gz WPNXMOGTLHWFLK-SFHVURJKSA-N 0 3 298.430 3.333 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@@H](C#N)C2)Cc2ccccc2O1 ZINC000293539333 263142852 /nfs/dbraw/zinc/14/28/52/263142852.db2.gz KBRBWKDCBLWFBK-HIFRSBDPSA-N 0 3 270.376 3.352 20 30 CGEDHN CCc1ccc(CN(CCOCCC#N)C2CC2)cc1 ZINC000293669103 263146311 /nfs/dbraw/zinc/14/63/11/263146311.db2.gz ZHOPQFRJTFKKIK-UHFFFAOYSA-N 0 3 272.392 3.144 20 30 CGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000353569654 263173808 /nfs/dbraw/zinc/17/38/08/263173808.db2.gz RRWOLRCSQGRPMH-DZGCQCFKSA-N 0 3 293.407 3.072 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H]1COc1ccccc1 ZINC000296409053 263191028 /nfs/dbraw/zinc/19/10/28/263191028.db2.gz UHZMYEOVHVKARG-HNNXBMFYSA-N 0 3 272.392 3.470 20 30 CGEDHN COc1ccccc1[C@@H]1CCN([C@H](C)CCC#N)C1 ZINC000299277015 263237444 /nfs/dbraw/zinc/23/74/44/263237444.db2.gz MSCWVLPCAPIOIG-ZIAGYGMSSA-N 0 3 258.365 3.177 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC)c1ccccc1 ZINC000341219351 263327646 /nfs/dbraw/zinc/32/76/46/263327646.db2.gz KYJNPXUSGMUUJI-RDJZCZTQSA-N 0 3 286.419 3.316 20 30 CGEDHN C=CC[C@H](CO)CNCc1ccc(-c2ccccc2)o1 ZINC000341274919 263330251 /nfs/dbraw/zinc/33/02/51/263330251.db2.gz YITSJKSSFVUURU-AWEZNQCLSA-N 0 3 271.360 3.221 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](CC)c1ccc(F)cc1F ZINC000341878225 263361962 /nfs/dbraw/zinc/36/19/62/263361962.db2.gz MHVYYLHYNDQNHO-XHDPSFHLSA-N 0 3 269.335 3.190 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341887727 263364053 /nfs/dbraw/zinc/36/40/53/263364053.db2.gz ZPCCDNPELDWORI-IUODEOHRSA-N 0 3 295.810 3.328 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000341893517 263366468 /nfs/dbraw/zinc/36/64/68/263366468.db2.gz YJHNFULKJMUVLL-IUODEOHRSA-N 0 3 295.810 3.328 20 30 CGEDHN C=CCCN(C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000342728681 263480488 /nfs/dbraw/zinc/48/04/88/263480488.db2.gz IJHCKQVQYSGBHR-CQSZACIVSA-N 0 3 292.448 3.092 20 30 CGEDHN CCOc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000037505671 263766512 /nfs/dbraw/zinc/76/65/12/263766512.db2.gz HMUVEWNFVOPGNM-UHFFFAOYSA-N 0 3 266.344 3.247 20 30 CGEDHN C=CCC[C@@H](CC)NCC(=O)Nc1cccc(F)c1 ZINC000425377556 264217282 /nfs/dbraw/zinc/21/72/82/264217282.db2.gz HFFMBZCKFGWFSU-CYBMUJFWSA-N 0 3 264.344 3.099 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H]2CCSC2)cc1OC ZINC000130570568 264359580 /nfs/dbraw/zinc/35/95/80/264359580.db2.gz ZYCVOXMGZIZLDO-CQSZACIVSA-N 0 3 293.432 3.197 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC(F)F)c(OC)c1)C(C)C ZINC000289360569 264721602 /nfs/dbraw/zinc/72/16/02/264721602.db2.gz KJCPDBVWFCVRMU-GFCCVEGCSA-N 0 3 283.318 3.044 20 30 CGEDHN C=CCC(C)(C)CNC(=O)c1ccc(CN(C)C)cc1 ZINC000293803619 264996950 /nfs/dbraw/zinc/99/69/50/264996950.db2.gz PTSPULYVFWNDSP-UHFFFAOYSA-N 0 3 274.408 3.080 20 30 CGEDHN C=CCCC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294326014 265011225 /nfs/dbraw/zinc/01/12/25/265011225.db2.gz JANQRLITDYNXRB-OAHLLOKOSA-N 0 3 292.448 3.094 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](C)c2cccc(C3CC3)c2)C1=O ZINC000295543665 265028976 /nfs/dbraw/zinc/02/89/76/265028976.db2.gz WMMGYOUGBYOUMX-GUYCJALGSA-N 0 3 284.403 3.002 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ncccc1CC ZINC000356866059 266197277 /nfs/dbraw/zinc/19/72/77/266197277.db2.gz LOKGLNXTRZDVHM-LBPRGKRZSA-N 0 3 250.411 3.214 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357046138 266238659 /nfs/dbraw/zinc/23/86/59/266238659.db2.gz UNWKHTPOMFVGCN-CVEARBPZSA-N 0 3 290.451 3.088 20 30 CGEDHN C[C@H]1C[C@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000525410477 270119924 /nfs/dbraw/zinc/11/99/24/270119924.db2.gz HMAGVPIKFDEGHS-STQMWFEESA-N 0 3 253.349 3.041 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000358504390 266470984 /nfs/dbraw/zinc/47/09/84/266470984.db2.gz GFTREJCRYNDDDE-UHFFFAOYSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359541950 266599120 /nfs/dbraw/zinc/59/91/20/266599120.db2.gz DZNAVPWDECDULU-SOLBZPMBSA-N 0 3 290.451 3.088 20 30 CGEDHN N#CCSCCCN1CCC[C@@H](Oc2ccccc2)C1 ZINC000369838312 267270792 /nfs/dbraw/zinc/27/07/92/267270792.db2.gz SUWVSPIMMJQKFN-MRXNPFEDSA-N 0 3 290.432 3.177 20 30 CGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000519817089 267314368 /nfs/dbraw/zinc/31/43/68/267314368.db2.gz BHLQAORVYANRMN-UHFFFAOYSA-N 0 3 285.347 3.087 20 30 CGEDHN C[C@H](CCc1ccc(F)cc1)NCC1(C#N)CCC1 ZINC000418145362 267366923 /nfs/dbraw/zinc/36/69/23/267366923.db2.gz XQLACKBVXIHUQT-CYBMUJFWSA-N 0 3 260.356 3.430 20 30 CGEDHN N#CCCCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000371294937 267385383 /nfs/dbraw/zinc/38/53/83/267385383.db2.gz NUJJMXHBKHXQNV-LBPRGKRZSA-N 0 3 287.338 3.450 20 30 CGEDHN CN(C)c1ccc(C2CCN(CCCC#N)CC2)cc1 ZINC000372274256 267539148 /nfs/dbraw/zinc/53/91/48/267539148.db2.gz QADDVEFYPZQWGX-UHFFFAOYSA-N 0 3 271.408 3.236 20 30 CGEDHN CCC[C@@H](C)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000376649786 268007058 /nfs/dbraw/zinc/00/70/58/268007058.db2.gz YSBDVHBRPGUPSA-OAHLLOKOSA-N 0 3 271.408 3.375 20 30 CGEDHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H](C#N)C1)CO2 ZINC000377082940 268045155 /nfs/dbraw/zinc/04/51/55/268045155.db2.gz MAWZOMNZGSWOMV-VNHYZAJKSA-N 0 3 256.349 3.101 20 30 CGEDHN N#Cc1cccc(OCCNC2(c3ccc(F)cc3)CC2)c1 ZINC000533067950 270221215 /nfs/dbraw/zinc/22/12/15/270221215.db2.gz MOURVNMTFYTFQU-UHFFFAOYSA-N 0 3 296.345 3.355 20 30 CGEDHN Cc1ccncc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334666044 274820053 /nfs/dbraw/zinc/82/00/53/274820053.db2.gz FSDNGJVQEWLREQ-GOSISDBHSA-N 0 3 277.371 3.429 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000190383427 276255544 /nfs/dbraw/zinc/25/55/44/276255544.db2.gz RPWUFQWSHARCGG-YOEHRIQHSA-N 0 3 272.392 3.338 20 30 CGEDHN COC1([C@H](C)NCc2ccc(C#N)c(F)c2)CCCC1 ZINC000421860182 277474102 /nfs/dbraw/zinc/47/41/02/277474102.db2.gz SZAKGGWFMIWCJM-LBPRGKRZSA-N 0 3 276.355 3.135 20 30 CGEDHN C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1cccc(C#N)c1 ZINC000360791932 277634643 /nfs/dbraw/zinc/63/46/43/277634643.db2.gz IWMSTIWTHUUIFY-KUHUBIRLSA-N 0 3 291.398 3.396 20 30 CGEDHN C[C@@H](CC(F)(F)F)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353630230 278223802 /nfs/dbraw/zinc/22/38/02/278223802.db2.gz IRYRVICTIFUOSH-TVQRCGJNSA-N 0 3 268.282 3.476 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000365677037 278306274 /nfs/dbraw/zinc/30/62/74/278306274.db2.gz KYZWSUPMBZLZIZ-RDTXWAMCSA-N 0 3 293.370 3.168 20 30 CGEDHN C[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000271616974 278917515 /nfs/dbraw/zinc/91/75/15/278917515.db2.gz BHXVLAKXTZCJBM-DOMZBBRYSA-N 0 3 297.320 3.214 20 30 CGEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000336328208 279538344 /nfs/dbraw/zinc/53/83/44/279538344.db2.gz SXLPERASBPAMKZ-ZBEGNZNMSA-N 0 3 266.348 3.010 20 30 CGEDHN C[C@H](NCc1ccc(C#N)cn1)C(C)(C)c1ccccc1 ZINC000558244155 289481506 /nfs/dbraw/zinc/48/15/06/289481506.db2.gz PXGLLPLYVSIXMN-AWEZNQCLSA-N 0 3 279.387 3.409 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC000333297991 303167183 /nfs/dbraw/zinc/16/71/83/303167183.db2.gz LLQYBMFGMASIPD-GXTWGEPZSA-N 0 3 284.359 3.076 20 30 CGEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000580258932 327750672 /nfs/dbraw/zinc/75/06/72/327750672.db2.gz OUOKVLXJRWKIJT-HUUCEWRRSA-N 0 3 290.838 3.106 20 30 CGEDHN COc1ccc(OC)c([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185759584 327844753 /nfs/dbraw/zinc/84/47/53/327844753.db2.gz XAQDMRGLSHJVHD-HZSPNIEDSA-N 0 3 288.391 3.437 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000185898564 327850416 /nfs/dbraw/zinc/85/04/16/327850416.db2.gz JQHSAZUQVFHWGB-XHDPSFHLSA-N 0 3 290.794 3.447 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CCC2)C1 ZINC000339349267 328007898 /nfs/dbraw/zinc/00/78/98/328007898.db2.gz OLUXEJKSCLXYQO-MRXNPFEDSA-N 0 3 282.387 3.162 20 30 CGEDHN C=CCCOCCN[C@H](C)c1ccc(C)cc1OC ZINC000222449772 328050890 /nfs/dbraw/zinc/05/08/90/328050890.db2.gz USZBYNXSMRPMON-CQSZACIVSA-N 0 3 263.381 3.247 20 30 CGEDHN C=CCN(CCc1cccc(C)n1)Cc1cccc(C#N)c1 ZINC000571320731 328105148 /nfs/dbraw/zinc/10/51/48/328105148.db2.gz OJGHFTRERPARKB-UHFFFAOYSA-N 0 3 291.398 3.492 20 30 CGEDHN CN(CCCC#N)CCOc1ccc(Br)cc1 ZINC000265928340 328167330 /nfs/dbraw/zinc/16/73/30/328167330.db2.gz ZQZKFGCASCBNGU-UHFFFAOYSA-N 0 3 297.196 3.063 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000280949677 328237197 /nfs/dbraw/zinc/23/71/97/328237197.db2.gz HIEGFDVWOOTNSX-VWOREBHZSA-N 0 3 290.407 3.082 20 30 CGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1F ZINC000156161399 321776122 /nfs/dbraw/zinc/77/61/22/321776122.db2.gz ARGRELDTJSDBLX-CYBMUJFWSA-N 0 3 284.334 3.427 20 30 CGEDHN CCC[C@@]1(C)CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000565421708 322077118 /nfs/dbraw/zinc/07/71/18/322077118.db2.gz AWFGBMOYDVBMQQ-KRWDZBQOSA-N 0 3 297.406 3.003 20 30 CGEDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000569464496 322248170 /nfs/dbraw/zinc/24/81/70/322248170.db2.gz HTLXCZBQVCOERC-KBPBESRZSA-N 0 3 299.418 3.396 20 30 CGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000573492990 322391045 /nfs/dbraw/zinc/39/10/45/322391045.db2.gz ASIGILUCTUDNOD-DZGCQCFKSA-N 0 3 285.347 3.231 20 30 CGEDHN C=CCSCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185969435 329337746 /nfs/dbraw/zinc/33/77/46/329337746.db2.gz RFULIHGGBHLAOO-SNVBAGLBSA-N 0 3 255.358 3.101 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558901751 327130458 /nfs/dbraw/zinc/13/04/58/327130458.db2.gz KRTKAEZDRAQSPS-IAGOWNOFSA-N 0 3 292.373 3.102 20 30 CGEDHN CCO[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)C12CCCCC2 ZINC000560405224 327304964 /nfs/dbraw/zinc/30/49/64/327304964.db2.gz IRMJAUUADVELOF-HRCADAONSA-N 0 3 289.423 3.147 20 30 CGEDHN COc1ccc([C@H](CCC#N)NC[C@@H]2CCCCO2)cc1 ZINC000582466238 329088500 /nfs/dbraw/zinc/08/85/00/329088500.db2.gz MJKIUMGUPLXINB-IRXDYDNUSA-N 0 3 288.391 3.199 20 30 CGEDHN C#CCCCNCc1ccc(-c2ccncc2)cc1F ZINC000178935272 329203377 /nfs/dbraw/zinc/20/33/77/329203377.db2.gz SLQMURBDJWYJCC-UHFFFAOYSA-N 0 3 268.335 3.391 20 30 CGEDHN C=CC[C@@H](CO)NCc1cc2cc(C)c(C)cc2o1 ZINC000184262605 329258539 /nfs/dbraw/zinc/25/85/39/329258539.db2.gz CCGPRDNSYYEABZ-AWEZNQCLSA-N 0 3 259.349 3.076 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000185444593 329273839 /nfs/dbraw/zinc/27/38/39/329273839.db2.gz DPUOXSNHMAMJNL-HZPDHXFCSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN(CCc1ccccc1)C[C@@H](O)C(C)(C)C ZINC000582920234 329289022 /nfs/dbraw/zinc/28/90/22/329289022.db2.gz LQESQFILBPOFOR-MRXNPFEDSA-N 0 3 261.409 3.124 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000188534886 329369626 /nfs/dbraw/zinc/36/96/26/329369626.db2.gz ATWJUNADYDDRSV-KRWDZBQOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CC[C@H](C(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000189015100 329374997 /nfs/dbraw/zinc/37/49/97/329374997.db2.gz VIYZNUQRZWRWSH-ROUUACIJSA-N 0 3 298.430 3.043 20 30 CGEDHN C=C(C)[C@H](NC[C@](C)(O)CC)c1ccc(F)c(F)c1 ZINC000189237920 329376765 /nfs/dbraw/zinc/37/67/65/329376765.db2.gz FKEKLWVWMCXVIN-LSDHHAIUSA-N 0 3 269.335 3.333 20 30 CGEDHN C=C(C)[C@@H](CC(=O)Nc1ccc(CN(C)C)cc1)OCC ZINC000270042071 330072184 /nfs/dbraw/zinc/07/21/84/330072184.db2.gz OSDGEDCZTPPNLM-MRXNPFEDSA-N 0 3 290.407 3.058 20 30 CGEDHN C=CCn1cc(CNC[C@H](C)CC2CCCCC2)nn1 ZINC000424173162 330313575 /nfs/dbraw/zinc/31/35/75/330313575.db2.gz PFNMZRRGILXDLR-CQSZACIVSA-N 0 3 276.428 3.160 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2cc3c(cccc3F)[nH]2)C1 ZINC000424189832 330322815 /nfs/dbraw/zinc/32/28/15/330322815.db2.gz FAHFJOQGTJIPKS-WDEREUQCSA-N 0 3 257.312 3.089 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000106035175 330331257 /nfs/dbraw/zinc/33/12/57/330331257.db2.gz VQSPFFRNGJEBJX-CVEARBPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2c2ccc(C)cc2)nn1 ZINC000424290064 330334513 /nfs/dbraw/zinc/33/45/13/330334513.db2.gz AYEQADBVMXDNGP-ZWKOTPCHSA-N 0 3 296.418 3.198 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2CCC(C)C)nn1 ZINC000424290951 330334746 /nfs/dbraw/zinc/33/47/46/330334746.db2.gz CUMHXUATEYRERJ-HOCLYGCPSA-N 0 3 276.428 3.159 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000424316173 330339470 /nfs/dbraw/zinc/33/94/70/330339470.db2.gz AQYPISXIPOSGMY-MBNYWOFBSA-N 0 3 297.402 3.259 20 30 CGEDHN COc1ccsc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424320752 330340104 /nfs/dbraw/zinc/34/01/04/330340104.db2.gz GJFYAJLSDWYJHK-GARJFASQSA-N 0 3 250.367 3.100 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1N(C)C ZINC000424330896 330342331 /nfs/dbraw/zinc/34/23/31/330342331.db2.gz RJJSJRILCDXOEM-MBNYWOFBSA-N 0 3 275.371 3.235 20 30 CGEDHN C=C(CC)CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000536881720 330360826 /nfs/dbraw/zinc/36/08/26/330360826.db2.gz NFSLAQPCJZFAGA-UHFFFAOYSA-N 0 3 276.399 3.300 20 30 CGEDHN C=CCCOCCN[C@@H]1CCSc2ccccc21 ZINC000090883446 330396650 /nfs/dbraw/zinc/39/66/50/330396650.db2.gz FNXXGEJLENBLKS-CQSZACIVSA-N 0 3 263.406 3.406 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000537092342 330398526 /nfs/dbraw/zinc/39/85/26/330398526.db2.gz STWHCXOYJUFACF-QWHCGFSZSA-N 0 3 299.361 3.432 20 30 CGEDHN COc1ccc([C@H](NCC2(CC#N)CC2)C2CC2)cc1 ZINC000430760473 330573460 /nfs/dbraw/zinc/57/34/60/330573460.db2.gz IZWXXZGNZWDEGB-MRXNPFEDSA-N 0 3 270.376 3.430 20 30 CGEDHN C=CCC[C@H](NCc1nccn1CC(F)(F)F)C1CC1 ZINC000439001648 330732229 /nfs/dbraw/zinc/73/22/29/330732229.db2.gz YJLBMEZEUFRYQI-LBPRGKRZSA-N 0 3 287.329 3.280 20 30 CGEDHN N#CCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442823476 330785630 /nfs/dbraw/zinc/78/56/30/330785630.db2.gz DFFYXYVCIFQOER-BMFZPTHFSA-N 0 3 253.349 3.313 20 30 CGEDHN C=CCC[C@H](C)NCc1ccncc1OCC(F)F ZINC000442866807 330788595 /nfs/dbraw/zinc/78/85/95/330788595.db2.gz MVBIABGJCUASSG-NSHDSACASA-N 0 3 270.323 3.170 20 30 CGEDHN CN(C)[C@@H]1CCOc2c(N[C@@H]3CC[C@@H](C#N)C3)cccc21 ZINC000443063808 330793487 /nfs/dbraw/zinc/79/34/87/330793487.db2.gz NUWOWXPPDHJSHP-XJKCOSOUSA-N 0 3 285.391 3.176 20 30 CGEDHN C=CC[C@@H](C)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446845395 330856266 /nfs/dbraw/zinc/85/62/66/330856266.db2.gz ZOUOACVLDCNPON-MNOVXSKESA-N 0 3 288.351 3.161 20 30 CGEDHN N#CCCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449131373 330901038 /nfs/dbraw/zinc/90/10/38/330901038.db2.gz MEXZAPVWFIPBIC-NSHDSACASA-N 0 3 268.282 3.375 20 30 CGEDHN C=CCCCC[C@H](C)N[C@H](C)c1nnc2n1CCC2 ZINC000449228857 330907817 /nfs/dbraw/zinc/90/78/17/330907817.db2.gz WLAMDEQNARWFOZ-QWHCGFSZSA-N 0 3 262.401 3.010 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NC/C=C/c1ccc(Cl)cc1 ZINC000449520251 330933361 /nfs/dbraw/zinc/93/33/61/330933361.db2.gz OZBKMMZPLPSWTR-RYIMYRPNSA-N 0 3 263.768 3.286 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OC(F)(F)F)c1 ZINC000449522317 330933577 /nfs/dbraw/zinc/93/35/77/330933577.db2.gz VEVWSSYWPFCKRZ-OLZOCXBDSA-N 0 3 287.281 3.018 20 30 CGEDHN COc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CCC2)cc1 ZINC000450723842 330995951 /nfs/dbraw/zinc/99/59/51/330995951.db2.gz DTUMYELPMMPEPU-UONOGXRCSA-N 0 3 272.392 3.471 20 30 CGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC2(C#N)CCC2)C1 ZINC000450895837 331005527 /nfs/dbraw/zinc/00/55/27/331005527.db2.gz LZTQVYNYXDDETC-VQHPVUNQSA-N 0 3 290.451 3.332 20 30 CGEDHN CC#CCCNCc1ccc(Br)cc1F ZINC000163426242 331037774 /nfs/dbraw/zinc/03/77/74/331037774.db2.gz RDNLOUNXQYPLSJ-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN N#CCc1ccc(CN2CCSC[C@H]2C2CC2)cc1 ZINC000451657175 331038003 /nfs/dbraw/zinc/03/80/03/331038003.db2.gz VUTBALKPDMPZON-INIZCTEOSA-N 0 3 272.417 3.080 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000451670859 331038195 /nfs/dbraw/zinc/03/81/95/331038195.db2.gz DLCILWOAFFYXNL-KGLIPLIRSA-N 0 3 292.423 3.427 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)ccc1Cl ZINC000451679922 331038855 /nfs/dbraw/zinc/03/88/55/331038855.db2.gz IEDIYHLIBBJYAT-KGLIPLIRSA-N 0 3 269.747 3.302 20 30 CGEDHN C=C[C@H](C)N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453144186 331093904 /nfs/dbraw/zinc/09/39/04/331093904.db2.gz QDVAGFLFRBQEJC-STQMWFEESA-N 0 3 255.365 3.312 20 30 CGEDHN N#CCCCN[C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453195918 331100085 /nfs/dbraw/zinc/10/00/85/331100085.db2.gz QECXBTVYRHWUTA-JKSUJKDBSA-N 0 3 292.810 3.323 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(F)ccc1F ZINC000453331595 331117919 /nfs/dbraw/zinc/11/79/19/331117919.db2.gz BWHMUCFLFLLRTK-VQISRLSMSA-N 0 3 267.319 3.349 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)c(F)c1 ZINC000453334242 331118147 /nfs/dbraw/zinc/11/81/47/331118147.db2.gz DPFMLGUGUIOQGT-DFBGVHRSSA-N 0 3 279.355 3.219 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H]1CCSc2ccc(OC)cc21 ZINC000453363237 331122873 /nfs/dbraw/zinc/12/28/73/331122873.db2.gz QRLJCDZBEJGGFC-SWLSCSKDSA-N 0 3 293.432 3.149 20 30 CGEDHN C=C(C)CN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459535232 331286442 /nfs/dbraw/zinc/28/64/42/331286442.db2.gz RQQRUGYRPYVSNN-MRXNPFEDSA-N 0 3 259.393 3.446 20 30 CGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC#Cc2ccccc2)C1 ZINC000484070657 331892017 /nfs/dbraw/zinc/89/20/17/331892017.db2.gz RZLMSYKNSONZTD-VQIMIIECSA-N 0 3 285.431 3.205 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(C)cc1C ZINC000489450397 332053588 /nfs/dbraw/zinc/05/35/88/332053588.db2.gz QCOPFTNSYOCYMR-SJORKVTESA-N 0 3 289.419 3.084 20 30 CGEDHN C=CC[C@@H](C)NCc1cnc(-c2ccccc2OC)nc1 ZINC000491292896 332183037 /nfs/dbraw/zinc/18/30/37/332183037.db2.gz BKTQZKWGAPKIAJ-CYBMUJFWSA-N 0 3 283.375 3.206 20 30 CGEDHN C#C[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1 ZINC000491372397 332198996 /nfs/dbraw/zinc/19/89/96/332198996.db2.gz JBYMGTXWAMHGJR-JKSUJKDBSA-N 0 3 273.351 3.191 20 30 CGEDHN C#C[C@@H](CC)NCc1cnc(-c2ccccc2)s1 ZINC000491658991 332269882 /nfs/dbraw/zinc/26/98/82/332269882.db2.gz WSELVRNTBFSZEN-ZDUSSCGKSA-N 0 3 256.374 3.312 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(-c2ccccn2)c1 ZINC000491681396 332284589 /nfs/dbraw/zinc/28/45/89/332284589.db2.gz MUFHOHCZSSUOBS-CQSZACIVSA-N 0 3 250.345 3.202 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(OCc2ccccn2)c1 ZINC000491699337 332293837 /nfs/dbraw/zinc/29/38/37/332293837.db2.gz NBWGLRKFGIWHQZ-OAHLLOKOSA-N 0 3 280.371 3.114 20 30 CGEDHN C#C[C@@H](N[C@@H](C)CCOC)c1ccc(Cl)cc1 ZINC000491752855 332328564 /nfs/dbraw/zinc/32/85/64/332328564.db2.gz NAHAWXNBCXKMKE-SMDDNHRTSA-N 0 3 251.757 3.029 20 30 CGEDHN C=CC1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000492787768 332413427 /nfs/dbraw/zinc/41/34/27/332413427.db2.gz GQKNRLNGUOBASB-UHFFFAOYSA-N 0 3 290.363 3.392 20 30 CGEDHN C=CCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000175397932 333023981 /nfs/dbraw/zinc/02/39/81/333023981.db2.gz FSAATDXSBBDTKC-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000185521204 333143013 /nfs/dbraw/zinc/14/30/13/333143013.db2.gz FJUJNAFFEYPXOO-CVEARBPZSA-N 0 3 288.435 3.225 20 30 CGEDHN C=C(C)COCCNCc1cccc(SCC)c1 ZINC000185577311 333144257 /nfs/dbraw/zinc/14/42/57/333144257.db2.gz FOONKJBMMNSKLS-UHFFFAOYSA-N 0 3 265.422 3.481 20 30 CGEDHN C=CC1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189262507 333188643 /nfs/dbraw/zinc/18/86/43/333188643.db2.gz QWNIWRIAWGHYRR-UHFFFAOYSA-N 0 3 287.272 3.099 20 30 CGEDHN C=CCOc1ccc(CNCCOC(C)(C)C)cc1OC ZINC000521833747 333192389 /nfs/dbraw/zinc/19/23/89/333192389.db2.gz HYUBLKCKYDCDLL-UHFFFAOYSA-N 0 3 293.407 3.165 20 30 CGEDHN CCS[C@@H]1CCCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000190028843 333202081 /nfs/dbraw/zinc/20/20/81/333202081.db2.gz HNVIVQVKBRMNLB-MELADBBJSA-N 0 3 265.426 3.084 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2c(OC)cccc21 ZINC000194938596 333279755 /nfs/dbraw/zinc/27/97/55/333279755.db2.gz COXOUICMKBQSQO-MRXNPFEDSA-N 0 3 275.392 3.255 20 30 CGEDHN C=CCCCN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000525121111 333399435 /nfs/dbraw/zinc/39/94/35/333399435.db2.gz RTXCMCPNPKABGJ-UHFFFAOYSA-N 0 3 299.317 3.415 20 30 CGEDHN C=CCN(CCCc1cncn1C)Cc1cccs1 ZINC000576049575 335146060 /nfs/dbraw/zinc/14/60/60/335146060.db2.gz FDDGVHVFIKULES-UHFFFAOYSA-N 0 3 275.421 3.102 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000539197163 333660447 /nfs/dbraw/zinc/66/04/47/333660447.db2.gz PQKBQZBGSBJIOS-INIZCTEOSA-N 0 3 283.419 3.425 20 30 CGEDHN C[C@@H]1CCCC[C@H]1OCCN1CCC(CC#N)CC1 ZINC000541022472 333759710 /nfs/dbraw/zinc/75/97/10/333759710.db2.gz FZIXTDMOHHPGGS-GDBMZVCRSA-N 0 3 264.413 3.207 20 30 CGEDHN C[C@H](NCC#Cc1ccccc1Cl)[C@H]1CCCOC1 ZINC000543507497 333878370 /nfs/dbraw/zinc/87/83/70/333878370.db2.gz AHHAZTKAGYMXLL-ZFWWWQNUSA-N 0 3 277.795 3.096 20 30 CGEDHN C=C[C@H](CC(=O)NCCN(C)CCCC)c1ccccc1 ZINC000134421411 334090196 /nfs/dbraw/zinc/09/01/96/334090196.db2.gz JTJPVJTVUJGVFV-MRXNPFEDSA-N 0 3 288.435 3.194 20 30 CGEDHN C=C(C)COCCNCc1cccc(OC(F)(F)F)c1 ZINC000134506425 334092517 /nfs/dbraw/zinc/09/25/17/334092517.db2.gz YQEWYGASLHHOHU-UHFFFAOYSA-N 0 3 289.297 3.268 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000576244302 335177185 /nfs/dbraw/zinc/17/71/85/335177185.db2.gz NPAUKEMCGJDVIG-IBGZPJMESA-N 0 3 299.389 3.417 20 30 CGEDHN C=CCCCN1CCN(c2cncc3ccccc32)CC1 ZINC000549040453 334183405 /nfs/dbraw/zinc/18/34/05/334183405.db2.gz ARWCHZHSXYJFKZ-UHFFFAOYSA-N 0 3 281.403 3.323 20 30 CGEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000245937790 334224725 /nfs/dbraw/zinc/22/47/25/334224725.db2.gz ZTPAELSCTXSEBG-LSDHHAIUSA-N 0 3 293.455 3.086 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000249061160 334326252 /nfs/dbraw/zinc/32/62/52/334326252.db2.gz ZZSAEGMMVLHHDA-OUCADQQQSA-N 0 3 273.336 3.328 20 30 CGEDHN C=CC1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000091575508 334380619 /nfs/dbraw/zinc/38/06/19/334380619.db2.gz NTUKUVKVYOEKEL-LBPRGKRZSA-N 0 3 277.364 3.334 20 30 CGEDHN C=CCCCCN[C@H](COC)c1ccc(F)cc1 ZINC000565756711 334594139 /nfs/dbraw/zinc/59/41/39/334594139.db2.gz PNUCVQKZDUZURF-OAHLLOKOSA-N 0 3 251.345 3.459 20 30 CGEDHN C=C(CC)CN[C@H](C)c1cncc(Br)c1 ZINC000567521940 334728340 /nfs/dbraw/zinc/72/83/40/334728340.db2.gz AOCGKEXGFAVHMS-SNVBAGLBSA-N 0 3 269.186 3.461 20 30 CGEDHN COc1cccc(CN(C)Cc2ccc(CC#N)cc2)c1 ZINC000342698817 335186055 /nfs/dbraw/zinc/18/60/55/335186055.db2.gz HYXJDDBFUCTMHZ-UHFFFAOYSA-N 0 3 280.371 3.393 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000577035081 335286061 /nfs/dbraw/zinc/28/60/61/335286061.db2.gz PAZQJHXZGXTXPU-HONMWMINSA-N 0 3 281.783 3.343 20 30 CGEDHN C=CCCCCC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000580581339 335290653 /nfs/dbraw/zinc/29/06/53/335290653.db2.gz IKAPOLJCNBRACK-UHFFFAOYSA-N 0 3 294.351 3.145 20 30 CGEDHN C[C@H](NC(C)(C)CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000577485470 335357628 /nfs/dbraw/zinc/35/76/28/335357628.db2.gz WFLVLBVGSUBHAR-JKSUJKDBSA-N 0 3 298.434 3.149 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C12CCC2 ZINC000177705969 335380028 /nfs/dbraw/zinc/38/00/28/335380028.db2.gz KCBIZPXSGBNFRA-ZIAGYGMSSA-N 0 3 276.405 3.057 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C12CCCC2 ZINC000177707944 335380391 /nfs/dbraw/zinc/38/03/91/335380391.db2.gz LMSZRXOREIFUMJ-HUUCEWRRSA-N 0 3 290.432 3.447 20 30 CGEDHN COc1cccc(F)c1[C@H](C)NCCCSCC#N ZINC000179939308 335533475 /nfs/dbraw/zinc/53/34/75/335533475.db2.gz KLWSPRFCJUQUTH-NSHDSACASA-N 0 3 282.384 3.132 20 30 CGEDHN C[C@H](NC[C@@H]1CCCS1)c1ccc(C#N)cc1F ZINC000358570002 533883491 /nfs/dbraw/zinc/88/34/91/533883491.db2.gz MZVYOJKHACIOAD-JQWIXIFHSA-N 0 3 264.369 3.244 20 30 CGEDHN C#C[C@H](NCc1c(C)nn(CCC)c1C)C(C)(C)C ZINC000290195265 517309425 /nfs/dbraw/zinc/30/94/25/517309425.db2.gz PBBWURRKTWTACS-HNNXBMFYSA-N 0 3 261.413 3.047 20 30 CGEDHN CC(C#N)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000347140585 534281773 /nfs/dbraw/zinc/28/17/73/534281773.db2.gz UJNXTJQCXHQTDE-CQSZACIVSA-N 0 3 278.355 3.472 20 30 CGEDHN Cc1ccnc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1C#N ZINC000439127764 534404082 /nfs/dbraw/zinc/40/40/82/534404082.db2.gz KODZGHXIPRXPRL-WMLDXEAASA-N 0 3 294.402 3.365 20 30 CGEDHN N#Cc1ccc(CN2CCN(CCC3CCCC3)CC2)cc1 ZINC000357620221 534781172 /nfs/dbraw/zinc/78/11/72/534781172.db2.gz UGFJDJLHARNGLG-UHFFFAOYSA-N 0 3 297.446 3.256 20 30 CGEDHN C=CCN(CCc1ccco1)CCC(C)(C)OC ZINC000346603609 526325992 /nfs/dbraw/zinc/32/59/92/526325992.db2.gz IJGVUQOSWQRRCP-UHFFFAOYSA-N 0 3 251.370 3.125 20 30 CGEDHN C=C(C)CNCc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000352852094 526625282 /nfs/dbraw/zinc/62/52/82/526625282.db2.gz DSHFEVXOHRXFDK-UHFFFAOYSA-N 0 3 299.418 3.223 20 30 CGEDHN C=CCC[C@H](NCCCO[C@@H]1CCOC1)c1ccco1 ZINC000356096139 527483493 /nfs/dbraw/zinc/48/34/93/527483493.db2.gz RRZVTVILEFNESL-CABCVRRESA-N 0 3 279.380 3.072 20 30 CGEDHN C=CCC[C@H](NCC[C@H](C)[S@](C)=O)c1ccco1 ZINC000353612501 527484324 /nfs/dbraw/zinc/48/43/24/527484324.db2.gz JONDUGJJMRQTCP-LXIYXOSZSA-N 0 3 269.410 3.034 20 30 CGEDHN C=CCC[C@H](NC[C@H]1CCCN1CC)c1ccco1 ZINC000353443996 527485781 /nfs/dbraw/zinc/48/57/81/527485781.db2.gz FEBQCSOXNZMCOB-CABCVRRESA-N 0 3 262.397 3.361 20 30 CGEDHN C=C[C@H](C)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000344799842 527570226 /nfs/dbraw/zinc/57/02/26/527570226.db2.gz UYKRRDILFUMGTM-ZDUSSCGKSA-N 0 3 274.364 3.042 20 30 CGEDHN CCN(CCCN1CCCC1)c1cc(C#N)ccc1C(C)=O ZINC000425251559 528449577 /nfs/dbraw/zinc/44/95/77/528449577.db2.gz FOXTVNXHGOMYBB-UHFFFAOYSA-N 0 3 299.418 3.073 20 30 CGEDHN CCC[C@@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000344546332 528985825 /nfs/dbraw/zinc/98/58/25/528985825.db2.gz ICNCJNMOEPBJJA-TVQRCGJNSA-N 0 3 266.291 3.082 20 30 CGEDHN CC[C@@H](C)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000451824544 535566467 /nfs/dbraw/zinc/56/64/67/535566467.db2.gz PGDKQXGNQMCARJ-CABCVRRESA-N 0 3 271.408 3.035 20 30 CGEDHN CCS[C@@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191355514 535703388 /nfs/dbraw/zinc/70/33/88/535703388.db2.gz GWMSBTFCYKSZAD-OAHLLOKOSA-N 0 3 277.437 3.004 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1F ZINC000452036444 535744336 /nfs/dbraw/zinc/74/43/36/535744336.db2.gz QUICGMQGIIKSIE-HUUCEWRRSA-N 0 3 276.355 3.135 20 30 CGEDHN N#Cc1ccc(CNC[C@H](O)c2ccccc2Cl)s1 ZINC000749110471 572989211 /nfs/dbraw/zinc/98/92/11/572989211.db2.gz IFNAXRMMTKWYAW-AWEZNQCLSA-N 0 3 292.791 3.096 20 30 CGEDHN C#CCOc1ccccc1CN(C)C1Cc2ccccc2C1 ZINC000732201489 572451468 /nfs/dbraw/zinc/45/14/68/572451468.db2.gz CYMKAWOGCCZUDH-UHFFFAOYSA-N 0 3 291.394 3.298 20 30 CGEDHN CCC[NH+]1CCC(/N=C/c2ccc(OCC)cc2[O-])CC1 ZINC000743333883 572647230 /nfs/dbraw/zinc/64/72/30/572647230.db2.gz CRTMNSZEGQXEAL-QGOAFFKASA-N 0 3 290.407 3.084 20 30 CGEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000743497020 572666873 /nfs/dbraw/zinc/66/68/73/572666873.db2.gz VKKJSNZUNDWKOR-OAHLLOKOSA-N 0 3 290.366 3.421 20 30 CGEDHN C=C(Cl)CN1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000743872416 572694202 /nfs/dbraw/zinc/69/42/02/572694202.db2.gz VWJSCZMEURMFEU-HNNXBMFYSA-N 0 3 278.827 3.335 20 30 CGEDHN C#CCN(C[C@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000744739300 572771193 /nfs/dbraw/zinc/77/11/93/572771193.db2.gz SQXRMVURYFTKOS-LLVKDONJSA-N 0 3 260.208 3.448 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)CCOC ZINC000352902848 572814776 /nfs/dbraw/zinc/81/47/76/572814776.db2.gz ORTWYFUGBCHETO-HNNXBMFYSA-N 0 3 279.428 3.267 20 30 CGEDHN CN(CCC1CC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746638547 572886352 /nfs/dbraw/zinc/88/63/52/572886352.db2.gz ZRNYGFHRMNHAFU-UHFFFAOYSA-N 0 3 280.375 3.111 20 30 CGEDHN C=CCOc1cccc(CN[C@](C)(CC)CC(=O)OC)c1 ZINC000748242299 572969837 /nfs/dbraw/zinc/96/98/37/572969837.db2.gz KTQPPWRKUSAQBP-QGZVFWFLSA-N 0 3 291.391 3.073 20 30 CGEDHN C=C(Br)CN[C@@H](C)Cc1ccc(F)cc1 ZINC000062052685 623193123 /nfs/dbraw/zinc/19/31/23/623193123.db2.gz FQLLGWVVHYYSGY-JTQLQIEISA-N 0 3 272.161 3.255 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC000970957286 613298286 /nfs/dbraw/zinc/29/82/86/613298286.db2.gz IOPODDPHQDEMDD-VQCLRJIVSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccsc2Cl)C1 ZINC000970531778 613303393 /nfs/dbraw/zinc/30/33/93/613303393.db2.gz LPNIOSJNUYNEQL-JTQLQIEISA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965475869 613332448 /nfs/dbraw/zinc/33/24/48/613332448.db2.gz KNKRTIIYGPNHSK-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965475867 613333599 /nfs/dbraw/zinc/33/35/99/613333599.db2.gz KNKRTIIYGPNHSK-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(C)oc3ccccc32)C1 ZINC000971596992 613618891 /nfs/dbraw/zinc/61/88/91/613618891.db2.gz MUKYJZHFZLYMEQ-CQSZACIVSA-N 0 3 298.386 3.074 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC000982136729 613681407 /nfs/dbraw/zinc/68/14/07/613681407.db2.gz WODXOMDHJWYHQL-UHFFFAOYSA-N 0 3 298.430 3.027 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008285 613745866 /nfs/dbraw/zinc/74/58/66/613745866.db2.gz MBHFLKDXIULDTH-HUUCEWRRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2occc2C(C)C)C[C@H]1C ZINC000947652824 613763028 /nfs/dbraw/zinc/76/30/28/613763028.db2.gz 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MNKSVQIXLTXKTG-UHFFFAOYSA-N 0 3 259.397 3.471 20 30 CGEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3cccs3)C2)nc1 ZINC000896660557 620041962 /nfs/dbraw/zinc/04/19/62/620041962.db2.gz QLGPRLFKDJPHBG-CQSZACIVSA-N 0 3 298.415 3.091 20 30 CGEDHN CCO[C@H]1C[C@@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])C1 ZINC000840709603 620104452 /nfs/dbraw/zinc/10/44/52/620104452.db2.gz DRQZPRHBSHCRGZ-JOIQJPDISA-N 0 3 290.407 3.225 20 30 CGEDHN C#CCC1(NCc2cc(C#N)cnc2Cl)CCCCC1 ZINC000897336568 620211055 /nfs/dbraw/zinc/21/10/55/620211055.db2.gz IDEHFWDYIADSAS-UHFFFAOYSA-N 0 3 287.794 3.422 20 30 CGEDHN C[C@H](NN=Cc1ccc2c(c1)CCN2C)c1ccccc1 ZINC000752727415 620292066 /nfs/dbraw/zinc/29/20/66/620292066.db2.gz PGBPMQPUUOSDFM-AWEZNQCLSA-N 0 3 279.387 3.364 20 30 CGEDHN CC[C@](O)(CCC(F)(F)F)CNCC#Cc1ccccc1 ZINC000897519112 620362049 /nfs/dbraw/zinc/36/20/49/620362049.db2.gz PVGFXJOSCKEUTR-HNNXBMFYSA-N 0 3 299.336 3.111 20 30 CGEDHN CC1=C[C@@H](C)C[C@@H](CNCc2nc(C#N)cs2)C1 ZINC000897628149 620413658 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626117092 /nfs/dbraw/zinc/11/70/92/626117092.db2.gz KVMBVXJZXKZTLO-UHFFFAOYSA-N 0 3 273.767 3.023 20 30 CGEDHN CCCCCCCC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923305046 626145111 /nfs/dbraw/zinc/14/51/11/626145111.db2.gz DFCCZWROUUJNRA-CABCVRRESA-N 0 3 266.429 3.042 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccccc2Cl)CC1 ZINC001006325846 626181582 /nfs/dbraw/zinc/18/15/82/626181582.db2.gz ISSMZHFBMHEVGQ-UHFFFAOYSA-N 0 3 292.810 3.062 20 30 CGEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838788888 626254648 /nfs/dbraw/zinc/25/46/48/626254648.db2.gz WBIMNVAMZPYYSY-CMPLNLGQSA-N 0 3 294.301 3.015 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1ccc2ccccc2n1 ZINC000751825375 626406450 /nfs/dbraw/zinc/40/64/50/626406450.db2.gz KWPCOWWGPQGPFX-ILXRZTDVSA-N 0 3 276.339 3.457 20 30 CGEDHN Cc1cc(Br)ccc1N=NC1CN(C)C[C@H]1C ZINC000752164316 626420391 /nfs/dbraw/zinc/42/03/91/626420391.db2.gz FGHAREWGYMSOFL-SNVBAGLBSA-N 0 3 296.212 3.107 20 30 CGEDHN Cc1cc(N=NC2CN(C)C[C@@H]2C)ccc1Br ZINC000752165782 626420734 /nfs/dbraw/zinc/42/07/34/626420734.db2.gz YYWHJWSCQIXADT-JTQLQIEISA-N 0 3 296.212 3.107 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCCN1[C@H](C)CCC[C@@H]1C ZINC000754032391 626472684 /nfs/dbraw/zinc/47/26/84/626472684.db2.gz UGPNXDANNLNJBM-OKILXGFUSA-N 0 3 299.418 3.436 20 30 CGEDHN CC[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000755994241 626666827 /nfs/dbraw/zinc/66/68/27/626666827.db2.gz DUJXDRQQPODJBO-GFCCVEGCSA-N 0 3 278.783 3.474 20 30 CGEDHN C#CCN(Cc1cc(C)ccc1OC)C1CCCC1 ZINC000756912324 626741145 /nfs/dbraw/zinc/74/11/45/626741145.db2.gz QGNNAAPZGWMBJC-UHFFFAOYSA-N 0 3 257.377 3.381 20 30 CGEDHN C#C[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000809685799 626768479 /nfs/dbraw/zinc/76/84/79/626768479.db2.gz SFEFZYZZKZDNSV-HNNXBMFYSA-N 0 3 274.364 3.466 20 30 CGEDHN C#CCCN(CCOC)Cc1ccc(C(F)(F)F)cc1 ZINC000760822397 626994410 /nfs/dbraw/zinc/99/44/10/626994410.db2.gz YMXZTMJADDPVTF-UHFFFAOYSA-N 0 3 285.309 3.177 20 30 CGEDHN C#CCCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000766894954 627367598 /nfs/dbraw/zinc/36/75/98/627367598.db2.gz HNJQHZHSKWFXKF-UWVGGRQHSA-N 0 3 287.247 3.463 20 30 CGEDHN Cc1noc(C)c1CN(C)CCCCC(C)(C)C#N ZINC000769706542 627573404 /nfs/dbraw/zinc/57/34/04/627573404.db2.gz XOVFSQSOCOCZKU-UHFFFAOYSA-N 0 3 263.385 3.443 20 30 CGEDHN CC(C)[C@@H](NCc1ccc(OCC#N)cc1)c1ccccn1 ZINC000775449718 628096619 /nfs/dbraw/zinc/09/66/19/628096619.db2.gz PQTVFDOPWFIEBW-GOSISDBHSA-N 0 3 295.386 3.471 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000775458594 628097440 /nfs/dbraw/zinc/09/74/40/628097440.db2.gz LTGGXWIAQDXNPB-GXFFZTMASA-N 0 3 273.298 3.293 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)[C@H]1CCCO1 ZINC000775573156 628110000 /nfs/dbraw/zinc/11/00/00/628110000.db2.gz WNNJOPSRPOSHFB-BVPBIZIASA-N 0 3 269.388 3.395 20 30 CGEDHN C#C[C@H](NCc1c(C)ccc2ccccc21)[C@@H]1CCCO1 ZINC000775785572 628136657 /nfs/dbraw/zinc/13/66/57/628136657.db2.gz QBPGPQNYTQKYDL-OALUTQOASA-N 0 3 279.383 3.419 20 30 CGEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc[nH]1 ZINC000776745140 628229600 /nfs/dbraw/zinc/22/96/00/628229600.db2.gz SIEGTHJQWICISE-QWRGUYRKSA-N 0 3 257.312 3.437 20 30 CGEDHN Cc1cc2ccccc2nc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000776786083 628232471 /nfs/dbraw/zinc/23/24/71/628232471.db2.gz PHTMYNZYFKOXCN-ZDUSSCGKSA-N 0 3 294.402 3.425 20 30 CGEDHN C=CC[C@H](C(=O)OCCN1CCCCC1)c1ccccc1 ZINC000778415824 628350100 /nfs/dbraw/zinc/35/01/00/628350100.db2.gz AMABDALHDFXROO-KRWDZBQOSA-N 0 3 287.403 3.375 20 30 CGEDHN C#CCCCCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000779927315 628442853 /nfs/dbraw/zinc/44/28/53/628442853.db2.gz YQDMDHIGRNLOOA-QGZVFWFLSA-N 0 3 298.430 3.090 20 30 CGEDHN C#CCN(CCOC1CCC1)[C@H]1CCc2ccccc21 ZINC000805735730 628664808 /nfs/dbraw/zinc/66/48/08/628664808.db2.gz MICSSDMFBFYOEY-SFHVURJKSA-N 0 3 269.388 3.178 20 30 CGEDHN C#C[C@@H](NCCc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000789307267 629122816 /nfs/dbraw/zinc/12/28/16/629122816.db2.gz VMLALWMSDRRCPX-KGLIPLIRSA-N 0 3 298.213 3.306 20 30 CGEDHN C#C[C@H](NCCc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000789307265 629123087 /nfs/dbraw/zinc/12/30/87/629123087.db2.gz VMLALWMSDRRCPX-KBPBESRZSA-N 0 3 298.213 3.306 20 30 CGEDHN C#CCn1ccc(CN(CC)CC2CCC(C)CC2)n1 ZINC000789326030 629124533 /nfs/dbraw/zinc/12/45/33/629124533.db2.gz LKBFCKJCGWMZAA-UHFFFAOYSA-N 0 3 273.424 3.165 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCSC2)c([O-])c1 ZINC000790598489 629219668 /nfs/dbraw/zinc/21/96/68/629219668.db2.gz NKMAMDIPDNKUSU-GPLLRDDGSA-N 0 3 292.448 3.410 20 30 CGEDHN N#CC(C(=O)CC1CC1)c1nccc2ccccc21 ZINC000792093121 629336022 /nfs/dbraw/zinc/33/60/22/629336022.db2.gz UZLYPSVJDRIILD-CQSZACIVSA-N 0 3 250.301 3.211 20 30 CGEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000792286303 629354122 /nfs/dbraw/zinc/35/41/22/629354122.db2.gz OLGFPMHLNNOYJG-MRXNPFEDSA-N 0 3 278.399 3.455 20 30 CGEDHN CCCCCCCCCN1CCO[C@]2(CCOC2)C1 ZINC000792292458 629354785 /nfs/dbraw/zinc/35/47/85/629354785.db2.gz XIXAQCVJKYNQJQ-MRXNPFEDSA-N 0 3 269.429 3.228 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC000862444498 629378690 /nfs/dbraw/zinc/37/86/90/629378690.db2.gz AWCGAEBMXDLAJY-ZDUSSCGKSA-N 0 3 279.330 3.442 20 30 CGEDHN C=CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2[O-])c1 ZINC000793386481 629453096 /nfs/dbraw/zinc/45/30/96/629453096.db2.gz SIGXWYOVFLOKEO-UHFFFAOYSA-N 0 3 299.370 3.255 20 30 CGEDHN Cc1cccc(-c2ccc([C@H]3CNCCO3)cc2)c1C#N ZINC000863689730 629648130 /nfs/dbraw/zinc/64/81/30/629648130.db2.gz FMLDBPDWPYHHGC-GOSISDBHSA-N 0 3 278.355 3.195 20 30 CGEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)C[C@@H](C2CC2)O1 ZINC000930271289 629694989 /nfs/dbraw/zinc/69/49/89/629694989.db2.gz VUAQITBRFJCKSR-HOCLYGCPSA-N 0 3 276.424 3.350 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCC(F)(F)C1)c1nc2ccccc2[nH]1 ZINC000796619580 629806247 /nfs/dbraw/zinc/80/62/47/629806247.db2.gz PLHOOYKJANSVAK-NXEZZACHSA-N 0 3 289.285 3.175 20 30 CGEDHN N#CC(C(=O)CCC(F)F)c1ccc2ccccc2n1 ZINC000796629095 629807640 /nfs/dbraw/zinc/80/76/40/629807640.db2.gz NEBTYLFZAYEJOS-NSHDSACASA-N 0 3 274.270 3.456 20 30 CGEDHN C#CCN(CCCOCC(F)(F)F)Cc1ccccc1 ZINC000796639585 629809268 /nfs/dbraw/zinc/80/92/68/629809268.db2.gz CULXBPPIAHJLRF-UHFFFAOYSA-N 0 3 285.309 3.091 20 30 CGEDHN CCOc1ccc([C@@H]2CCCN2CCO[C@H](C)C#N)cc1 ZINC000801909946 630364010 /nfs/dbraw/zinc/36/40/10/630364010.db2.gz ISVMRBGNQFONAC-PBHICJAKSA-N 0 3 288.391 3.151 20 30 CGEDHN CCOc1ccc([C@H]2CCCN2CCO[C@H](C)C#N)cc1 ZINC000801909947 630364390 /nfs/dbraw/zinc/36/43/90/630364390.db2.gz ISVMRBGNQFONAC-RHSMWYFYSA-N 0 3 288.391 3.151 20 30 CGEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1nccc2ccccc21 ZINC000802226272 630384931 /nfs/dbraw/zinc/38/49/31/630384931.db2.gz JUHZJSMRCZUYCZ-XITLMJRVSA-N 0 3 287.322 3.453 20 30 CGEDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(C#N)cc1 ZINC000808676762 630662894 /nfs/dbraw/zinc/66/28/94/630662894.db2.gz KYGJXCIDZZNAMR-INIZCTEOSA-N 0 3 296.345 3.483 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000808720398 630670685 /nfs/dbraw/zinc/67/06/85/630670685.db2.gz UUSJYQZJVKDBBU-JCGVRSQUSA-N 0 3 298.361 3.470 20 30 CGEDHN CC1(C)C[C@H](NCC2(C#N)CCCC2)C(C)(C)O1 ZINC000809579554 630754493 /nfs/dbraw/zinc/75/44/93/630754493.db2.gz ZOJZZMKJKBCXEM-LBPRGKRZSA-N 0 3 250.386 3.006 20 30 CGEDHN C#C[C@H](C)NCc1ccc(OCC(C)C)c(OCC)c1 ZINC000809683998 630779847 /nfs/dbraw/zinc/77/98/47/630779847.db2.gz VIMKCFSLQNVTMC-AWEZNQCLSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@@H](CC)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809685789 630781810 /nfs/dbraw/zinc/78/18/10/630781810.db2.gz RDDQLSJWPDLLKN-KRWDZBQOSA-N 0 3 295.382 3.473 20 30 CGEDHN C#C[C@H](CC)NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000809686508 630783468 /nfs/dbraw/zinc/78/34/68/630783468.db2.gz WWSSEBIIJDINSM-OAHLLOKOSA-N 0 3 257.377 3.292 20 30 CGEDHN C#C[C@H](NCc1c[nH]nc1-c1cccc(OC)c1)C(C)(C)C ZINC000809781395 630806528 /nfs/dbraw/zinc/80/65/28/630806528.db2.gz PXHLTVKHXVMXCO-INIZCTEOSA-N 0 3 297.402 3.223 20 30 CGEDHN C#C[C@H](NCc1ccnn1-c1ccccc1)C(C)(C)C ZINC000809782483 630807434 /nfs/dbraw/zinc/80/74/34/630807434.db2.gz VQYHISBFKMQDPY-INIZCTEOSA-N 0 3 267.376 3.010 20 30 CGEDHN C#C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)C(C)(C)C ZINC000809782165 630807509 /nfs/dbraw/zinc/80/75/09/630807509.db2.gz JLWXNHUHAMZHAO-OAHLLOKOSA-N 0 3 267.376 3.214 20 30 CGEDHN C#C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)C(C)(C)C ZINC000809782165 630807516 /nfs/dbraw/zinc/80/75/16/630807516.db2.gz JLWXNHUHAMZHAO-OAHLLOKOSA-N 0 3 267.376 3.214 20 30 CGEDHN C[C@H]1CN(CCCOc2ccc(C#N)cc2)CCC1(F)F ZINC000810044756 630833707 /nfs/dbraw/zinc/83/37/07/630833707.db2.gz NOOBFEYPVYFYCC-ZDUSSCGKSA-N 0 3 294.345 3.304 20 30 CGEDHN C[C@@H](O)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810212968 630855015 /nfs/dbraw/zinc/85/50/15/630855015.db2.gz IOZYLWUIQOKLSR-YJYMSZOUSA-N 0 3 292.382 3.389 20 30 CGEDHN C#C[C@H](N[C@H](C)CCn1cccn1)c1ccc(Cl)cc1 ZINC000811517459 631081957 /nfs/dbraw/zinc/08/19/57/631081957.db2.gz SZSLRNLCEBUELH-CJNGLKHVSA-N 0 3 287.794 3.279 20 30 CGEDHN CC(C)N1CC(N=Nc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000814944136 631694761 /nfs/dbraw/zinc/69/47/61/631694761.db2.gz SAFRHQBZVLONGD-VIFPVBQESA-N 0 3 285.313 3.232 20 30 CGEDHN C=CCOCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000815047777 631705833 /nfs/dbraw/zinc/70/58/33/631705833.db2.gz IWYDRSZEABDDMP-UHFFFAOYSA-N 0 3 275.392 3.339 20 30 CGEDHN C=CCOCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000815047777 631705837 /nfs/dbraw/zinc/70/58/37/631705837.db2.gz IWYDRSZEABDDMP-UHFFFAOYSA-N 0 3 275.392 3.339 20 30 CGEDHN Cc1cccc(C2(O)CCN([C@H]3CC[C@H](C#N)C3)CC2)c1C ZINC000815053326 631707717 /nfs/dbraw/zinc/70/77/17/631707717.db2.gz HOCZDWYRBIWNNV-IRXDYDNUSA-N 0 3 298.430 3.279 20 30 CGEDHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H](O)c2ccc(C#N)cc2)o1 ZINC000818967561 632357816 /nfs/dbraw/zinc/35/78/16/632357816.db2.gz WDRHWRFENXMZNQ-DQYPLSBCSA-N 0 3 296.370 3.098 20 30 CGEDHN C=CCSCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000105462447 635833402 /nfs/dbraw/zinc/83/34/02/635833402.db2.gz UZAMGKSBDONZHT-YPMHNXCESA-N 0 3 251.395 3.412 20 30 CGEDHN C#C[C@H](N[C@@H]1CCO[C@H](CC)C1)c1ccc(F)cc1 ZINC000824423854 633244038 /nfs/dbraw/zinc/24/40/38/633244038.db2.gz VQELTDWMIXRJLS-OAGGEKHMSA-N 0 3 261.340 3.047 20 30 CGEDHN C#CCCOc1ccc(CNCc2ccnc(C)c2)cc1 ZINC000824597457 633262791 /nfs/dbraw/zinc/26/27/91/633262791.db2.gz SRYTTZOBRKOQCE-UHFFFAOYSA-N 0 3 280.371 3.082 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000876570566 634860317 /nfs/dbraw/zinc/86/03/17/634860317.db2.gz GXCHFORMZLYPCX-CABCVRRESA-N 0 3 292.810 3.032 20 30 CGEDHN CCCC[C@@H](CC)CCN1CCC(C#N)(C(=O)OC)CC1 ZINC000824871427 633301901 /nfs/dbraw/zinc/30/19/01/633301901.db2.gz GIIJJHLVDCRTOE-OAHLLOKOSA-N 0 3 294.439 3.372 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OCC(C)C ZINC000876584505 634862589 /nfs/dbraw/zinc/86/25/89/634862589.db2.gz IGCOJURMEBXHJE-LBPRGKRZSA-N 0 3 296.798 3.130 20 30 CGEDHN C=CCN1CCC(NC(=O)/C(F)=C\C2CCCCC2)CC1 ZINC000825756145 633380639 /nfs/dbraw/zinc/38/06/39/633380639.db2.gz JQOYNCVRLWKDSF-DTQAZKPQSA-N 0 3 294.414 3.187 20 30 CGEDHN C=CCN(C[C@H]1CN(C2CCCCC2)C(=O)O1)C(C)C ZINC000827799289 633517897 /nfs/dbraw/zinc/51/78/97/633517897.db2.gz QBUPMEVCQMMWNS-HNNXBMFYSA-N 0 3 280.412 3.036 20 30 CGEDHN C#CCN(CCCc1cc(CC)no1)Cc1ccccc1 ZINC000829768663 633778386 /nfs/dbraw/zinc/77/83/86/633778386.db2.gz YBOWYWRHZHZHGY-UHFFFAOYSA-N 0 3 282.387 3.305 20 30 CGEDHN CC[C@@H](NCC(C)(C)CC#N)C(=O)Nc1ccc(C)cc1 ZINC000871886497 633912436 /nfs/dbraw/zinc/91/24/36/633912436.db2.gz MVGMVFKSXRAMAR-OAHLLOKOSA-N 0 3 287.407 3.242 20 30 CGEDHN C[C@H](NC[C@@H]1CC(C)(C)CO1)c1ccc(C#N)cc1F ZINC000872105196 634026137 /nfs/dbraw/zinc/02/61/37/634026137.db2.gz CTYNCTFPSNETPB-AAEUAGOBSA-N 0 3 276.355 3.163 20 30 CGEDHN CCCCCCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000832954322 634105091 /nfs/dbraw/zinc/10/50/91/634105091.db2.gz NOOZHBAAEXJJEI-HNNXBMFYSA-N 0 3 280.456 3.290 20 30 CGEDHN C#C[C@H]1CC[C@H](NCc2cccnc2Br)CC1 ZINC000873198155 634283439 /nfs/dbraw/zinc/28/34/39/634283439.db2.gz UKUIGRJYTXGECR-AULYBMBSSA-N 0 3 293.208 3.126 20 30 CGEDHN C[C@H](NN=C1CCCC[C@@H]1N1CCCCC1)C(F)(F)F ZINC000834998987 634305744 /nfs/dbraw/zinc/30/57/44/634305744.db2.gz ACFXHGOLYHVFAL-AAEUAGOBSA-N 0 3 291.361 3.311 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000876548130 634854846 /nfs/dbraw/zinc/85/48/46/634854846.db2.gz UWLKNEATIBFYPK-ZDUSSCGKSA-N 0 3 266.772 3.218 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000876590875 634863336 /nfs/dbraw/zinc/86/33/36/634863336.db2.gz FVRDDXOABNKBIY-HUUCEWRRSA-N 0 3 292.810 3.128 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1CCC(C)C ZINC000876705615 634884097 /nfs/dbraw/zinc/88/40/97/634884097.db2.gz RRRSYNZPENFOPS-KBPBESRZSA-N 0 3 286.847 3.274 20 30 CGEDHN C#CCCCNCc1nc2cc(Br)ccc2o1 ZINC000877070765 634971381 /nfs/dbraw/zinc/97/13/81/634971381.db2.gz VFJQWJAIKCNXHU-UHFFFAOYSA-N 0 3 293.164 3.093 20 30 CGEDHN C#CCCCCCCN[C@@H](COC)c1ccc(C)o1 ZINC000877080707 634976671 /nfs/dbraw/zinc/97/66/71/634976671.db2.gz NEDAJLTVAREKCG-HNNXBMFYSA-N 0 3 263.381 3.449 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(CC)c1ccc(F)cc1 ZINC000877132943 634996259 /nfs/dbraw/zinc/99/62/59/634996259.db2.gz RRNNQTVLSINMST-HIFRSBDPSA-N 0 3 298.789 3.037 20 30 CGEDHN CC[C@H](NCc1cc(C#N)cnc1Cl)[C@@H]1CCCCO1 ZINC000877618647 635116301 /nfs/dbraw/zinc/11/63/01/635116301.db2.gz BJECUVJVYRXCID-KBPBESRZSA-N 0 3 293.798 3.044 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877649745 635131139 /nfs/dbraw/zinc/13/11/39/635131139.db2.gz GYWNNNMJDVUUQE-GFCCVEGCSA-N 0 3 286.325 3.358 20 30 CGEDHN CCn1nc(C)c(CN(C)CCc2cccc(C#N)c2)c1C ZINC000877704399 635157461 /nfs/dbraw/zinc/15/74/61/635157461.db2.gz NYKSRNZDBDBJCT-UHFFFAOYSA-N 0 3 296.418 3.066 20 30 CGEDHN CCOc1cccc(CN(C)CCc2cccc(C#N)c2)n1 ZINC000877705013 635157726 /nfs/dbraw/zinc/15/77/26/635157726.db2.gz ZWCZMYFNQKXVCK-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN N#CC1CCN(C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878016661 635321737 /nfs/dbraw/zinc/32/17/37/635321737.db2.gz QREKHSBSNXVGOC-DLBZAZTESA-N 0 3 270.376 3.142 20 30 CGEDHN CCOc1ccc(C[NH2+]Cc2ccc(CC#N)cc2)c([O-])c1 ZINC000842719534 635448864 /nfs/dbraw/zinc/44/88/64/635448864.db2.gz DVZXGQDDZFBEBU-UHFFFAOYSA-N 0 3 296.370 3.147 20 30 CGEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 ZINC000878328806 635463344 /nfs/dbraw/zinc/46/33/44/635463344.db2.gz OWBPXCOSZLYGEY-JTDSTZFVSA-N 0 3 298.430 3.405 20 30 CGEDHN C#CC1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000843427013 635670859 /nfs/dbraw/zinc/67/08/59/635670859.db2.gz QWXRFPBDRWMEBJ-SOFGYWHQSA-N 0 3 255.361 3.054 20 30 CGEDHN C#CC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000843426763 635671478 /nfs/dbraw/zinc/67/14/78/635671478.db2.gz JWSDFWOVNHOSKK-ONEGZZNKSA-N 0 3 261.315 3.323 20 30 CGEDHN C#CC1CCN(Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000843427292 635671687 /nfs/dbraw/zinc/67/16/87/635671687.db2.gz YMWQSWVHPAOBJP-UHFFFAOYSA-N 0 3 297.377 3.165 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H]3CSC[C@H]3C2)c(Cl)c1 ZINC000879564078 635811543 /nfs/dbraw/zinc/81/15/43/635811543.db2.gz GMYDVORPAWBSRY-ZIAGYGMSSA-N 0 3 292.835 3.397 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000879564072 635811583 /nfs/dbraw/zinc/81/15/83/635811583.db2.gz GMYDVORPAWBSRY-KBPBESRZSA-N 0 3 292.835 3.397 20 30 CGEDHN N#Cc1cccc(CNC2([C@@H]3CCCCO3)CCC2)c1F ZINC000879734221 635846470 /nfs/dbraw/zinc/84/64/70/635846470.db2.gz FSVKAQGNHDRDNK-HNNXBMFYSA-N 0 3 288.366 3.279 20 30 CGEDHN C[C@@]1(C(F)(F)F)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000880000401 635894823 /nfs/dbraw/zinc/89/48/23/635894823.db2.gz HKGHVUNHHHMFNU-CQSZACIVSA-N 0 3 298.308 3.363 20 30 CGEDHN CO[C@]1(C(F)(F)F)CCN(CCCCC(C)(C)C#N)C1 ZINC000880307647 635970728 /nfs/dbraw/zinc/97/07/28/635970728.db2.gz RXYTZOGBPKWCJU-CYBMUJFWSA-N 0 3 292.345 3.360 20 30 CGEDHN C=CCCC[C@H](NCC(OC)OC)c1ccccc1 ZINC000880389483 635991997 /nfs/dbraw/zinc/99/19/97/635991997.db2.gz HIDBVUAEUKFMDY-HNNXBMFYSA-N 0 3 263.381 3.293 20 30 CGEDHN N#Cc1cc(CN2CCC3(CCCC3)C2)ccc1F ZINC000121582267 636089326 /nfs/dbraw/zinc/08/93/26/636089326.db2.gz HKUUDMFYDCUHHU-UHFFFAOYSA-N 0 3 258.340 3.463 20 30 CGEDHN C#CCOc1ccccc1CN1CCC[C@H](OC(C)C)C1 ZINC000846014368 636129814 /nfs/dbraw/zinc/12/98/14/636129814.db2.gz IXZSCKAIXIRSSX-KRWDZBQOSA-N 0 3 287.403 3.088 20 30 CGEDHN CC[C@@](C)(CC(=O)OC)NCC#Cc1cccc(Cl)c1 ZINC000130032500 636409598 /nfs/dbraw/zinc/40/95/98/636409598.db2.gz BGMBMWNYMHRLMY-INIZCTEOSA-N 0 3 293.794 3.013 20 30 CGEDHN N#CCc1ccc(CNCc2cccc3c2CCOC3)cc1 ZINC000883152513 636558171 /nfs/dbraw/zinc/55/81/71/636558171.db2.gz XSAYPYACSYJBNM-UHFFFAOYSA-N 0 3 292.382 3.115 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C#N)ccc1F)[C@H]1CCCO1 ZINC000883205271 636584704 /nfs/dbraw/zinc/58/47/04/636584704.db2.gz SEZSLKDFZWBZMV-IAGOWNOFSA-N 0 3 288.366 3.301 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)NCc1cocn1 ZINC000883211723 636588906 /nfs/dbraw/zinc/58/89/06/636588906.db2.gz ULLXPVQQKZXHFT-OAHLLOKOSA-N 0 3 256.349 3.342 20 30 CGEDHN C=CCC[C@@H](Cc1ccccc1)NCc1cc(C(N)=O)co1 ZINC000883217210 636591679 /nfs/dbraw/zinc/59/16/79/636591679.db2.gz DPHFLMUNUDEMJS-INIZCTEOSA-N 0 3 298.386 3.046 20 30 CGEDHN C=CCC[C@@H](NCc1cnc(CCC)o1)[C@@H]1CCCO1 ZINC000883227003 636597488 /nfs/dbraw/zinc/59/74/88/636597488.db2.gz JMPXUSNFEAUPMX-CABCVRRESA-N 0 3 278.396 3.231 20 30 CGEDHN C=CCC[C@@H](COc1ccccc1)N[C@H](C)c1ccn(C)n1 ZINC000883228779 636600318 /nfs/dbraw/zinc/60/03/18/636600318.db2.gz UOMCQHQVXDYWLQ-CVEARBPZSA-N 0 3 299.418 3.485 20 30 CGEDHN COc1ccc(CNCc2c(C)cccc2C)cc1C#N ZINC000132129162 636786280 /nfs/dbraw/zinc/78/62/80/636786280.db2.gz OEHHDGPYCOTBNB-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C=CCCC1(CNCc2nn(CC)nc2C)CCCC1 ZINC000850351870 637023448 /nfs/dbraw/zinc/02/34/48/637023448.db2.gz JIMFIGRZSISIIH-UHFFFAOYSA-N 0 3 276.428 3.223 20 30 CGEDHN CC(=NN[C@H]1CCOC(C)(C)C1)c1c(C)cc(N)cc1C ZINC000884452774 637029492 /nfs/dbraw/zinc/02/94/92/637029492.db2.gz XHEIYLMPZQVDMO-HNNXBMFYSA-N 0 3 289.423 3.157 20 30 CGEDHN CC(=NOCCOC(C)C)c1c(C)cc(N)cc1C ZINC000884471512 637033417 /nfs/dbraw/zinc/03/34/17/637033417.db2.gz YTEZLCNMGVBCTE-UHFFFAOYSA-N 0 3 264.369 3.051 20 30 CGEDHN COc1cc(C)cc(CNCC(C)(C)CC#N)c1OC ZINC000886143229 637433514 /nfs/dbraw/zinc/43/35/14/637433514.db2.gz XFAWWOOCKNZZBJ-UHFFFAOYSA-N 0 3 276.380 3.042 20 30 CGEDHN Cc1n[nH]c(CN[C@H]2CCCc3cc(C#N)ccc32)c1C ZINC000886149176 637436794 /nfs/dbraw/zinc/43/67/94/637436794.db2.gz IBCZFUMMORKYLR-INIZCTEOSA-N 0 3 280.375 3.065 20 30 CGEDHN C#CCN(CCO[C@@H]1CC1(F)F)[C@@H]1CCc2ccccc21 ZINC000851735651 637484179 /nfs/dbraw/zinc/48/41/79/637484179.db2.gz HNJWMTANDPWICT-HZPDHXFCSA-N 0 3 291.341 3.033 20 30 CGEDHN CC(C)[C@H](Cc1ccccc1)NCc1ccncc1C#N ZINC000886422644 637527216 /nfs/dbraw/zinc/52/72/16/637527216.db2.gz VNJAGFYSDWHHOZ-SFHVURJKSA-N 0 3 279.387 3.310 20 30 CGEDHN C=CCC1(O)CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000886761428 637679040 /nfs/dbraw/zinc/67/90/40/637679040.db2.gz DMMDTNPZVUWIIC-CYBMUJFWSA-N 0 3 263.356 3.290 20 30 CGEDHN N#CCC1(CN2Cc3ccccc3OC3(CCC3)C2)CC1 ZINC000887149574 637763822 /nfs/dbraw/zinc/76/38/22/637763822.db2.gz BLCOGWOYNYCDJC-UHFFFAOYSA-N 0 3 282.387 3.498 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2C[C@@H](COC)C2)c([O-])c1 ZINC000887269976 637786847 /nfs/dbraw/zinc/78/68/47/637786847.db2.gz FFJONNYOPXNPAZ-AKXAMSMASA-N 0 3 290.407 3.082 20 30 CGEDHN CCCCCCCNC(=O)C[C@H](N)c1ccccc1 ZINC000106279312 638209439 /nfs/dbraw/zinc/20/94/39/638209439.db2.gz UFCAYGJCHPMJPB-HNNXBMFYSA-N 0 3 262.397 3.163 20 30 CGEDHN C=CC[C@H](CO)CN[C@H](CCC)c1ncccc1Cl ZINC000925700141 638572212 /nfs/dbraw/zinc/57/22/12/638572212.db2.gz ZAZHTNJRALVTHX-GXTWGEPZSA-N 0 3 282.815 3.350 20 30 CGEDHN C=CCCN[C@H](C)c1nc(Br)ccc1F ZINC000926682749 638798171 /nfs/dbraw/zinc/79/81/71/638798171.db2.gz FFSQCGUDSFHAOY-MRVPVSSYSA-N 0 3 273.149 3.210 20 30 CGEDHN COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000926692250 638799034 /nfs/dbraw/zinc/79/90/34/638799034.db2.gz GMLDFUXKKMVGHW-XJKSGUPXSA-N 0 3 290.407 3.301 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CCC3(C2)CCOCC3)c1 ZINC000929757517 638947685 /nfs/dbraw/zinc/94/76/85/638947685.db2.gz RWXCUVXGRMBFIU-UHFFFAOYSA-N 0 3 290.794 3.214 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H](O)C23CCCC3)c1 ZINC000930570449 639027716 /nfs/dbraw/zinc/02/77/16/639027716.db2.gz GWRXYXFRNFHOKC-OAHLLOKOSA-N 0 3 290.794 3.091 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cncc(C#N)c1 ZINC000930702357 639056694 /nfs/dbraw/zinc/05/66/94/639056694.db2.gz NVFMTNJAGPTAHQ-ZDUSSCGKSA-N 0 3 283.350 3.155 20 30 CGEDHN Cc1ccccc1C1(NCc2cncc(C#N)c2)CCC1 ZINC000930843566 639075292 /nfs/dbraw/zinc/07/52/92/639075292.db2.gz XPWYPWDDPNGAQO-UHFFFAOYSA-N 0 3 277.371 3.431 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ncco2)CC1 ZINC000931445804 639149696 /nfs/dbraw/zinc/14/96/96/639149696.db2.gz DUMPZXSTPQPJDJ-CYBMUJFWSA-N 0 3 281.359 3.487 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](CO)c2ccccc2C(F)(F)F)C1 ZINC000933241538 639429958 /nfs/dbraw/zinc/42/99/58/639429958.db2.gz MYPLYWXDCQGHAW-UHIISALHSA-N 0 3 298.308 3.021 20 30 CGEDHN C#CCC1(NCC#Cc2ccc(Cl)cc2)CCC1 ZINC000933294359 639435809 /nfs/dbraw/zinc/43/58/09/639435809.db2.gz ITZRGIVLNBRFCX-UHFFFAOYSA-N 0 3 257.764 3.227 20 30 CGEDHN CN(CCCCC#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415799 639604131 /nfs/dbraw/zinc/60/41/31/639604131.db2.gz IGZGOTDYONVASZ-UHFFFAOYSA-N 0 3 268.364 3.202 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1cnn(CC2CCC2)c1 ZINC000934560822 639631315 /nfs/dbraw/zinc/63/13/15/639631315.db2.gz BERZIRDFESTSAC-ZDUSSCGKSA-N 0 3 274.412 3.274 20 30 CGEDHN C=C(C)c1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000934875568 639694814 /nfs/dbraw/zinc/69/48/14/639694814.db2.gz GPBFZSXTUIPZMK-QGZVFWFLSA-N 0 3 297.402 3.198 20 30 CGEDHN C=C(Br)CN[C@@H]1CCc2c(cccc2OC)C1 ZINC000192441885 640371289 /nfs/dbraw/zinc/37/12/89/640371289.db2.gz SRZSSJUAJJALNI-GFCCVEGCSA-N 0 3 296.208 3.051 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCC=CO1 ZINC000193785418 640495829 /nfs/dbraw/zinc/49/58/29/640495829.db2.gz MIQHYEOKPYVZPA-QGZVFWFLSA-N 0 3 273.376 3.376 20 30 CGEDHN C#CCN(CCO[C@H]1CCCCO1)[C@@H]1CCc2ccccc21 ZINC000195234743 640575816 /nfs/dbraw/zinc/57/58/16/640575816.db2.gz VBPAMCVCJPBIHX-MOPGFXCFSA-N 0 3 299.414 3.152 20 30 CGEDHN C#CCCOc1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000092428286 640736659 /nfs/dbraw/zinc/73/66/59/640736659.db2.gz QZUOHGTZSOVLHC-GOSISDBHSA-N 0 3 287.403 3.090 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008750148 640953106 /nfs/dbraw/zinc/95/31/06/640953106.db2.gz UQKXHWMJRVHCFT-LBPRGKRZSA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@H]1C ZINC001017576828 641013324 /nfs/dbraw/zinc/01/33/24/641013324.db2.gz DUQHFZLZFAAMEG-TWMKSMIVSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001157754121 805861337 /nfs/dbraw/zinc/86/13/37/805861337.db2.gz CIDRPTAIZOGMMY-AUECHBEKSA-N 0 3 278.440 3.088 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C=C)CC ZINC001158370294 805945941 /nfs/dbraw/zinc/94/59/41/805945941.db2.gz SYRMDGQALDWNPH-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN C=C[C@@](C)(O)CNCc1cc(C(F)(F)F)ccc1Cl ZINC001252572010 806073137 /nfs/dbraw/zinc/07/31/37/806073137.db2.gz MFKHEUDUVUERQY-GFCCVEGCSA-N 0 3 293.716 3.385 20 30 CGEDHN N#CC1(c2ccc(F)cc2)CCC(n2cnc(CN)c2)CC1 ZINC001254341052 806381300 /nfs/dbraw/zinc/38/13/00/806381300.db2.gz CPOHKGROTVOWLH-UHFFFAOYSA-N 0 3 298.365 3.058 20 30 CGEDHN COc1ccccc1C1(N[C@@H]2CC[C@H](C#N)C2)CCC1 ZINC001254648594 806472470 /nfs/dbraw/zinc/47/24/70/806472470.db2.gz IZBBCSFOPCWSPL-UONOGXRCSA-N 0 3 270.376 3.356 20 30 CGEDHN CC[C@H](CC#N)n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001255156222 806556384 /nfs/dbraw/zinc/55/63/84/806556384.db2.gz GIHNMLXJXMHSPB-GXTWGEPZSA-N 0 3 268.364 3.435 20 30 CGEDHN CC[C@@H](CC#N)NCC[C@@H]1CCc2ccc3c(c21)CCO3 ZINC001255156512 806556586 /nfs/dbraw/zinc/55/65/86/806556586.db2.gz KVYVJCQXHPOLCB-GJZGRUSLSA-N 0 3 284.403 3.323 20 30 CGEDHN CC[C@@H](CC#N)NCC1(Cc2ccccc2)CCOCC1 ZINC001255160471 806559316 /nfs/dbraw/zinc/55/93/16/806559316.db2.gz KPJHBUIEWYTGLY-KRWDZBQOSA-N 0 3 286.419 3.308 20 30 CGEDHN CC[C@H](CC#N)NC1(Cc2ccc(OC)cc2)CCC1 ZINC001255162616 806560879 /nfs/dbraw/zinc/56/08/79/806560879.db2.gz UUITTZGPKYFGTB-OAHLLOKOSA-N 0 3 272.392 3.442 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccccc2)CC1 ZINC001255162811 806561158 /nfs/dbraw/zinc/56/11/58/806561158.db2.gz ZJNQCDRDWIJZAC-BRWVUGGUSA-N 0 3 299.418 3.009 20 30 CGEDHN CC[C@@H](CC#N)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001255177286 806570784 /nfs/dbraw/zinc/57/07/84/806570784.db2.gz PNAHWMQRKRGCHE-NUJGCVRESA-N 0 3 285.435 3.273 20 30 CGEDHN CCOC(=O)[C@@H]1CCC[C@H](N(CCC#N)C2CCCC2)C1 ZINC001255368593 806627229 /nfs/dbraw/zinc/62/72/29/806627229.db2.gz UPMQWVKWZDCKKL-ZBFHGGJFSA-N 0 3 292.423 3.267 20 30 CGEDHN C[C@H]1CC[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000338951005 799278257 /nfs/dbraw/zinc/27/82/57/799278257.db2.gz BVXWVCXCTRGGDI-ZFWWWQNUSA-N 0 3 287.382 3.008 20 30 CGEDHN C#CCCCNCc1cscc1Br ZINC000379346027 799349279 /nfs/dbraw/zinc/34/92/79/799349279.db2.gz DUILSEUESIOCPD-UHFFFAOYSA-N 0 3 258.184 3.014 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1ccc(Br)nc1 ZINC000379599381 799350675 /nfs/dbraw/zinc/35/06/75/799350675.db2.gz JIGFTWZIAKFCAS-DTWKUNHWSA-N 0 3 255.159 3.069 20 30 CGEDHN C#CCN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000381581917 799383699 /nfs/dbraw/zinc/38/36/99/799383699.db2.gz FRWWTGONVRBBKJ-ZDUSSCGKSA-N 0 3 282.156 3.262 20 30 CGEDHN CC(C)(C#N)CCCCN1CCO[C@@H](C(F)(F)F)CC1 ZINC000686845880 799736212 /nfs/dbraw/zinc/73/62/12/799736212.db2.gz XLXYNFCRANLPCW-GFCCVEGCSA-N 0 3 292.345 3.360 20 30 CGEDHN C[C@H]1CC[C@H](NCc2cc(C#N)ccc2F)CS1 ZINC000689615452 799765942 /nfs/dbraw/zinc/76/59/42/799765942.db2.gz QKYUZAOKKPZFSE-GWCFXTLKSA-N 0 3 264.369 3.071 20 30 CGEDHN CS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000708302700 799985917 /nfs/dbraw/zinc/98/59/17/799985917.db2.gz OSJYMCOADMPQPH-ZIAGYGMSSA-N 0 3 278.396 3.413 20 30 CGEDHN C#CC[C@@H](COC)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000716950448 800186749 /nfs/dbraw/zinc/18/67/49/800186749.db2.gz WRKWJFZULUWZTQ-GVXVVHGQSA-N 0 3 281.446 3.301 20 30 CGEDHN C[C@@H]1CCC(C)(C)C[C@H]1NCc1nc(C#N)cs1 ZINC000717439797 800202095 /nfs/dbraw/zinc/20/20/95/800202095.db2.gz RCELXRRAMSRKOA-ZYHUDNBSSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CC[C@@H]1CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000890557861 800558974 /nfs/dbraw/zinc/55/89/74/800558974.db2.gz IFORRMDZZOZLRV-CYBMUJFWSA-N 0 3 298.386 3.285 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2cccc(C)c2C)CCC1 ZINC000933304525 800673594 /nfs/dbraw/zinc/67/35/94/800673594.db2.gz NNZLWSHOFZHQLF-OAHLLOKOSA-N 0 3 284.403 3.166 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cncc(CN2CC[C@@H]2CC=C)c1 ZINC000934459274 800678913 /nfs/dbraw/zinc/67/89/13/800678913.db2.gz HPCCJCLRHLGPPJ-OALUTQOASA-N 0 3 297.446 3.382 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001006210225 800698860 /nfs/dbraw/zinc/69/88/60/800698860.db2.gz HZCASLAMKPPXBY-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001023137527 800705416 /nfs/dbraw/zinc/70/54/16/800705416.db2.gz LFNHTSUOJVYQQO-FKGLVLAHSA-N 0 3 298.858 3.048 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001024635973 800733731 /nfs/dbraw/zinc/73/37/31/800733731.db2.gz MEYCOZMOCBDDGK-JZXOWHBKSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638037 800733825 /nfs/dbraw/zinc/73/38/25/800733825.db2.gz RHFMGKCSAVYHBZ-GPANFISMSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214793 800749793 /nfs/dbraw/zinc/74/97/93/800749793.db2.gz FJPVZGPTIKMBNH-GJZGRUSLSA-N 0 3 294.414 3.281 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280185 800838103 /nfs/dbraw/zinc/83/81/03/800838103.db2.gz HYQWEMLAPOSPGY-QGZVFWFLSA-N 0 3 286.419 3.190 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028296197 800839402 /nfs/dbraw/zinc/83/94/02/800839402.db2.gz PXVSERHPOQIVNJ-QGZVFWFLSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001028295100 800841288 /nfs/dbraw/zinc/84/12/88/800841288.db2.gz DECQYHPXIFFQLR-INIZCTEOSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028336656 800842510 /nfs/dbraw/zinc/84/25/10/800842510.db2.gz AQMNHBYGIGYTIJ-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033383062 800962291 /nfs/dbraw/zinc/96/22/91/800962291.db2.gz GHWOIWSKSKGNHS-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034350554 801020393 /nfs/dbraw/zinc/02/03/93/801020393.db2.gz IOWKHNINFZKWSX-MRXNPFEDSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001034395782 801025568 /nfs/dbraw/zinc/02/55/68/801025568.db2.gz ZEDNPNZKYFPBIJ-HIFRSBDPSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038284362 801122220 /nfs/dbraw/zinc/12/22/20/801122220.db2.gz OJXZODFJWSDCJA-AWEZNQCLSA-N 0 3 298.386 3.121 20 30 CGEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039821192 801166607 /nfs/dbraw/zinc/16/66/07/801166607.db2.gz ODKPQVOAUFRDHZ-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)c2cscc2Cl)CC1 ZINC001045471626 801275435 /nfs/dbraw/zinc/27/54/35/801275435.db2.gz XTVTZHGANZNGPF-UHFFFAOYSA-N 0 3 298.839 3.172 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001046337672 801309747 /nfs/dbraw/zinc/30/97/47/801309747.db2.gz ATORBNSXZKSYAH-AEFFLSMTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=CCN1CC[C@](C)(NC(=O)c2ccc(CCC)cc2)C1 ZINC001046583469 801316534 /nfs/dbraw/zinc/31/65/34/801316534.db2.gz QRZFJKLROHLUEK-SFHVURJKSA-N 0 3 286.419 3.019 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046797342 801324944 /nfs/dbraw/zinc/32/49/44/801324944.db2.gz YQLVTHUPLRFVMF-SFHVURJKSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(C(C)C)n1 ZINC001256460753 806903918 /nfs/dbraw/zinc/90/39/18/806903918.db2.gz QYQUOQFPTPGPQO-JSGCOSHPSA-N 0 3 280.437 3.337 20 30 CGEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCCCC1 ZINC001049696022 801383638 /nfs/dbraw/zinc/38/36/38/801383638.db2.gz WZOJFRXOPVXURQ-JKSUJKDBSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049743680 801386824 /nfs/dbraw/zinc/38/68/24/801386824.db2.gz RTQYXMPFLHMTLQ-SJORKVTESA-N 0 3 298.430 3.168 20 30 CGEDHN CC(=O)C=C(C)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256521597 806909355 /nfs/dbraw/zinc/90/93/55/806909355.db2.gz APNZKVROCTUVKT-LBONJMQPSA-N 0 3 286.419 3.122 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2CCC(=C)CC2)CC[C@@H]1C ZINC001071794799 801552702 /nfs/dbraw/zinc/55/27/02/801552702.db2.gz FQUAPNDKZLFPOC-DOTOQJQBSA-N 0 3 290.451 3.278 20 30 CGEDHN CC(C)n1ncc2c1[C@H](N[C@H]1CC[C@@H](C#N)C1)CCC2 ZINC001256580088 806920677 /nfs/dbraw/zinc/92/06/77/806920677.db2.gz DEOLPMHUVZVURK-VHDGCEQUSA-N 0 3 272.396 3.123 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001084807204 801673164 /nfs/dbraw/zinc/67/31/64/801673164.db2.gz CZNNZYKIOMBABK-SJLPKXTDSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085509515 801692003 /nfs/dbraw/zinc/69/20/03/801692003.db2.gz ZKCAYUFDLAXXQO-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001085991023 801717182 /nfs/dbraw/zinc/71/71/82/801717182.db2.gz CWXVPMWKAJVSDE-HOTGVXAUSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1CC ZINC001087540135 801755779 /nfs/dbraw/zinc/75/57/79/801755779.db2.gz DJPLGNMRORYZBO-LSDHHAIUSA-N 0 3 294.414 3.329 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1CC ZINC001087704469 801763758 /nfs/dbraw/zinc/76/37/58/801763758.db2.gz VZVKJUZKDFLVTD-DLBZAZTESA-N 0 3 286.419 3.018 20 30 CGEDHN C=C1CCC(C(=O)N2CCCCC[C@H](NCCF)C2)CC1 ZINC001088375075 801788155 /nfs/dbraw/zinc/78/81/55/801788155.db2.gz WLRMYQWFABKTMV-INIZCTEOSA-N 0 3 296.430 3.063 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088834402 801808269 /nfs/dbraw/zinc/80/82/69/801808269.db2.gz QZTTTWMINZWWLF-CABCVRRESA-N 0 3 278.440 3.112 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@H]1C ZINC001088958377 801815080 /nfs/dbraw/zinc/81/50/80/801815080.db2.gz YBAGAIOTSNCXGQ-QAPCUYQASA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089065781 801819060 /nfs/dbraw/zinc/81/90/60/801819060.db2.gz BIWDYQSJEAAZAV-PMPSAXMXSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001089623470 801847217 /nfs/dbraw/zinc/84/72/17/801847217.db2.gz PQNHIOVRPWBBGU-MRXNPFEDSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(C)c1)C2 ZINC001098279122 801910276 /nfs/dbraw/zinc/91/02/76/801910276.db2.gz FGPQTEYXYQEYBD-KURKYZTESA-N 0 3 298.430 3.215 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001099176618 801932822 /nfs/dbraw/zinc/93/28/22/801932822.db2.gz QYKLUXDYMGXIRK-GJZGRUSLSA-N 0 3 298.446 3.163 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)/C(C)=C\CC)C[C@H]1C ZINC001103945908 802042661 /nfs/dbraw/zinc/04/26/61/802042661.db2.gz DPTZLLNQECERRU-OLWKXOERSA-N 0 3 298.858 3.169 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1C ZINC001104428631 802048031 /nfs/dbraw/zinc/04/80/31/802048031.db2.gz DAJMHAAMAMTZQH-TZMCWYRMSA-N 0 3 298.858 3.003 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC(C)C)C2 ZINC001109950002 802128880 /nfs/dbraw/zinc/12/88/80/802128880.db2.gz HBKHXLPZBXWMOC-PMPSAXMXSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C(C)(C)C)C2 ZINC001111323407 802159000 /nfs/dbraw/zinc/15/90/00/802159000.db2.gz ZXTJIDIDMQMEDT-JJXSEGSLSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113229938 802207984 /nfs/dbraw/zinc/20/79/84/802207984.db2.gz UIWVPRWSEIFSEQ-CABCVRRESA-N 0 3 280.456 3.025 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC001113250211 802210940 /nfs/dbraw/zinc/21/09/40/802210940.db2.gz RYAWCNZQGCUIKU-HNNXBMFYSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc(SC)cc2)C1 ZINC001116552492 802377368 /nfs/dbraw/zinc/37/73/68/802377368.db2.gz LMCMNRDFOHJONO-CQSZACIVSA-N 0 3 263.406 3.185 20 30 CGEDHN CC(C)COCC[C@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001172474671 808339497 /nfs/dbraw/zinc/33/94/97/808339497.db2.gz VBEOGNMXRQAJPE-HNNXBMFYSA-N 0 3 286.419 3.368 20 30 CGEDHN C[C@@H](CCCC#N)N[C@@H](c1ccccc1)c1cccnn1 ZINC001172490347 808351142 /nfs/dbraw/zinc/35/11/42/808351142.db2.gz DVZAKPCACWHUAU-YOEHRIQHSA-N 0 3 280.375 3.238 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)C1CCN(C[C@H](F)CC)CC1 ZINC001279137167 809165797 /nfs/dbraw/zinc/16/57/97/809165797.db2.gz RSBNYEOKFILORW-GOEBONIOSA-N 0 3 298.446 3.308 20 30 CGEDHN CN(C)c1ccc(/C=C\C=NN[C@H]2CCCSC2)cc1 ZINC001119307073 802646639 /nfs/dbraw/zinc/64/66/39/802646639.db2.gz KIIWXJAGWGBVRH-UCWQBKBGSA-N 0 3 289.448 3.237 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(F)F)cc1 ZINC001122227854 802864286 /nfs/dbraw/zinc/86/42/86/802864286.db2.gz RKPFOTXZHAIWHD-JTQLQIEISA-N 0 3 274.698 3.033 20 30 CGEDHN N#CC(C(=O)C[C@@H]1CC=CCC1)C(=O)Nc1ccccc1 ZINC001122540501 802874833 /nfs/dbraw/zinc/87/48/33/802874833.db2.gz DXFDEMVKRPRJDY-UKRRQHHQSA-N 0 3 282.343 3.080 20 30 CGEDHN N#CC(C(=O)CCCc1ccsc1)c1cccc(F)n1 ZINC001122640841 802877337 /nfs/dbraw/zinc/87/73/37/802877337.db2.gz OYZXFXUGIAQZNN-LBPRGKRZSA-N 0 3 288.347 3.481 20 30 CGEDHN N#C[C@H]1CC[C@@H](OC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001122647190 802878647 /nfs/dbraw/zinc/87/86/47/802878647.db2.gz LHZLTGJVRWCUHX-WMLDXEAASA-N 0 3 298.386 3.131 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001123237010 802920481 /nfs/dbraw/zinc/92/04/81/802920481.db2.gz MAGXRZPTUIJOLE-SWLSCSKDSA-N 0 3 299.349 3.097 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1coc(C(F)F)c1 ZINC001123337871 802930838 /nfs/dbraw/zinc/93/08/38/802930838.db2.gz VJNQKEQKJNQAEX-ZETCQYMHSA-N 0 3 299.664 3.094 20 30 CGEDHN N#CCc1ccc(C(F)(F)F)cc1C1=CNCCC1 ZINC001243952660 803098180 /nfs/dbraw/zinc/09/81/80/803098180.db2.gz QFDZVAREMSLMRN-UHFFFAOYSA-N 0 3 266.266 3.496 20 30 CGEDHN N#Cc1c[nH]c2ccnc(-c3ccc(-c4ncc[nH]4)cc3)c12 ZINC001243976390 803115523 /nfs/dbraw/zinc/11/55/23/803115523.db2.gz KYNLVWQMOITKON-UHFFFAOYSA-N 0 3 285.310 3.492 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001128264001 803182399 /nfs/dbraw/zinc/18/23/99/803182399.db2.gz MVLXTTIYGBSCCW-CYBMUJFWSA-N 0 3 292.398 3.195 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131943431 803359507 /nfs/dbraw/zinc/35/95/07/803359507.db2.gz PJOKLLPOPFVBQX-GOEBONIOSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CC(=C)C)C2)CCC1 ZINC001132283479 803391854 /nfs/dbraw/zinc/39/18/54/803391854.db2.gz XXHNMPKLPQXPRZ-JKSUJKDBSA-N 0 3 290.451 3.278 20 30 CGEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132416150 803402869 /nfs/dbraw/zinc/40/28/69/803402869.db2.gz AOUMIVBBPSJVGI-JKSUJKDBSA-N 0 3 292.467 3.051 20 30 CGEDHN OC1CCN(Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138333793 803896446 /nfs/dbraw/zinc/89/64/46/803896446.db2.gz QUISXBCRHTWWNJ-UHFFFAOYSA-N 0 3 291.394 3.043 20 30 CGEDHN COc1ccc(C)cc1CN1CCC[C@@H](C#N)CC1 ZINC001138488091 803948644 /nfs/dbraw/zinc/94/86/44/803948644.db2.gz UJWYRDNCXWQSDP-CQSZACIVSA-N 0 3 258.365 3.129 20 30 CGEDHN C=CCc1cccc(CN(C)Cc2ccccn2)c1O ZINC001138624680 803982918 /nfs/dbraw/zinc/98/29/18/803982918.db2.gz SFMFEBXVTSTJEP-UHFFFAOYSA-N 0 3 268.360 3.148 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c1[O-] ZINC001138625595 803983191 /nfs/dbraw/zinc/98/31/91/803983191.db2.gz PTAFCXJYYDAUBE-SFHVURJKSA-N 0 3 287.403 3.266 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@]3(C2)CCCCO3)c1[O-] ZINC001138625595 803983198 /nfs/dbraw/zinc/98/31/98/803983198.db2.gz PTAFCXJYYDAUBE-SFHVURJKSA-N 0 3 287.403 3.266 20 30 CGEDHN C=CCc1cccc(C[N@H+](C)CCc2cccnc2)c1[O-] ZINC001138627860 803985506 /nfs/dbraw/zinc/98/55/06/803985506.db2.gz HEFVHEHHYJPHLO-UHFFFAOYSA-N 0 3 282.387 3.190 20 30 CGEDHN C=CCc1cccc(C[N@@H+](C)CCc2cccnc2)c1[O-] ZINC001138627860 803985512 /nfs/dbraw/zinc/98/55/12/803985512.db2.gz HEFVHEHHYJPHLO-UHFFFAOYSA-N 0 3 282.387 3.190 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC[C@]2(CCCO2)C1 ZINC001138662396 803997351 /nfs/dbraw/zinc/99/73/51/803997351.db2.gz WWHBTDBKWFCJKD-GOSISDBHSA-N 0 3 287.403 3.396 20 30 CGEDHN C=CCOc1ccccc1CN1CCC2(CCCO2)CC1 ZINC001139029739 804114326 /nfs/dbraw/zinc/11/43/26/804114326.db2.gz KHYCKCWAKUPQCA-UHFFFAOYSA-N 0 3 287.403 3.396 20 30 CGEDHN Cn1ccc2cc(CN3CCC[C@@H](CC#N)C3)ccc21 ZINC001139190635 804153241 /nfs/dbraw/zinc/15/32/41/804153241.db2.gz UUFXNHMKRFUXBL-AWEZNQCLSA-N 0 3 267.376 3.304 20 30 CGEDHN Cn1ccc2ccc(CN3CCC[C@H](CC#N)C3)cc21 ZINC001139203803 804161729 /nfs/dbraw/zinc/16/17/29/804161729.db2.gz ADIGAFXZGWNRBA-CQSZACIVSA-N 0 3 267.376 3.304 20 30 CGEDHN CN(Cc1cccc(Cl)c1C#N)CC1CCOCC1 ZINC001139686907 804255108 /nfs/dbraw/zinc/25/51/08/804255108.db2.gz HEJHGDZUDQKXKG-UHFFFAOYSA-N 0 3 278.783 3.070 20 30 CGEDHN C[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1[O-] ZINC001139706524 804261591 /nfs/dbraw/zinc/26/15/91/804261591.db2.gz XUAMSEODCKQKTJ-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN C[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1[O-] ZINC001139706524 804261598 /nfs/dbraw/zinc/26/15/98/804261598.db2.gz XUAMSEODCKQKTJ-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN CCCCCCC[C@@H](CCC)N[C@@H]1CNCCC1=O ZINC001246295067 804264376 /nfs/dbraw/zinc/26/43/76/804264376.db2.gz SMYGVUMWWYYXMK-HUUCEWRRSA-N 0 3 268.445 3.036 20 30 CGEDHN Cc1ccc(CN(C)CCc2noc(C(C)C)n2)cc1C#N ZINC001139723176 804266796 /nfs/dbraw/zinc/26/67/96/804266796.db2.gz UFMYJMUZZDHVJU-UHFFFAOYSA-N 0 3 298.390 3.048 20 30 CGEDHN C=CCn1cc(CN(Cc2ccccc2)C(C)C)cn1 ZINC001139766212 804277158 /nfs/dbraw/zinc/27/71/58/804277158.db2.gz LTOLDFKUGVCDPT-UHFFFAOYSA-N 0 3 269.392 3.480 20 30 CGEDHN N#Cc1cc(F)cc(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC001139875416 804306811 /nfs/dbraw/zinc/30/68/11/804306811.db2.gz MDTSLDDRYWGNSF-MRXNPFEDSA-N 0 3 281.334 3.082 20 30 CGEDHN CC(C)OC1CCN(Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140113877 804380842 /nfs/dbraw/zinc/38/08/42/804380842.db2.gz FVUWSCVBHARRAQ-UHFFFAOYSA-N 0 3 297.402 3.429 20 30 CGEDHN CC1CC(N(C)Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752244 804504565 /nfs/dbraw/zinc/50/45/65/804504565.db2.gz IDPZMIKQAKXDCN-UHFFFAOYSA-N 0 3 250.292 3.067 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2cccc(-c3ncccn3)c2)C1 ZINC001140980054 804561557 /nfs/dbraw/zinc/56/15/57/804561557.db2.gz LCKYRGZYHPOKBI-HNNXBMFYSA-N 0 3 292.386 3.269 20 30 CGEDHN C[C@@H]1CCCCN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107063 804590569 /nfs/dbraw/zinc/59/05/69/804590569.db2.gz OJZXZLJZXDURHD-SECBINFHSA-N 0 3 283.828 3.477 20 30 CGEDHN C=CCCCCN(C)Cc1ccc(C#N)c(SC)n1 ZINC001141943899 804682320 /nfs/dbraw/zinc/68/23/20/804682320.db2.gz ONRDBXMFHFBGPL-UHFFFAOYSA-N 0 3 275.421 3.463 20 30 CGEDHN C#CC[C@]1(c2nc(-c3ccc4occc4c3)no2)CCCN1 ZINC001249351784 805133600 /nfs/dbraw/zinc/13/36/00/805133600.db2.gz IRCBVLPTYUSQSG-QGZVFWFLSA-N 0 3 293.326 3.085 20 30 CGEDHN N#Cc1ccc2cc(CN3CC[C@H]4OCCC[C@H]4C3)[nH]c2c1 ZINC001249426324 805146691 /nfs/dbraw/zinc/14/66/91/805146691.db2.gz MIRCUIIBOZQWMZ-MAUKXSAKSA-N 0 3 295.386 3.040 20 30 CGEDHN C=C1C[C@@H]2CC(N[C@H]3c4ccccc4CNC3=O)C[C@H](C1)C2 ZINC001257888143 807238789 /nfs/dbraw/zinc/23/87/89/807238789.db2.gz YSFQSZKVROACTE-RTDQLFBCSA-N 0 3 296.414 3.082 20 30 CGEDHN CCCCCCC[C@H](C)N1CCC[C@H]1C(=O)OC ZINC001258039865 807271086 /nfs/dbraw/zinc/27/10/86/807271086.db2.gz ZYXADZCHUDQQCS-KBPBESRZSA-N 0 3 255.402 3.373 20 30 CGEDHN C[C@H](Cc1ccc(Cl)cc1)NC(=N)c1ccc(F)cn1 ZINC001168153704 807327569 /nfs/dbraw/zinc/32/75/69/807327569.db2.gz KLPXHFORUMETGN-SNVBAGLBSA-N 0 3 291.757 3.211 20 30 CGEDHN CC1(C)CCC[C@@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001258276420 807389084 /nfs/dbraw/zinc/38/90/84/807389084.db2.gz JKPGYDNKCKGVCQ-LLVKDONJSA-N 0 3 265.788 3.409 20 30 CGEDHN C=CCC[C@@H](C)N1CCc2nc(Cl)ccc2C1 ZINC001258731648 807577597 /nfs/dbraw/zinc/57/75/97/807577597.db2.gz BPPYMHONXBGVJW-LLVKDONJSA-N 0 3 250.773 3.448 20 30 CGEDHN C=CCC[C@@H](C)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001258733229 807578865 /nfs/dbraw/zinc/57/88/65/807578865.db2.gz WOGLVWWVBIJLKZ-WBVHZDCISA-N 0 3 259.393 3.285 20 30 CGEDHN C[C@H](N)c1nccn1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170355484 807828821 /nfs/dbraw/zinc/82/88/21/807828821.db2.gz GNYMZAXJDBFGLE-NXVRBGIVSA-N 0 3 294.402 3.479 20 30 CGEDHN N#Cc1coc(CN[C@H]2CCc3cc(F)cc(F)c3C2)c1 ZINC001170680422 807873244 /nfs/dbraw/zinc/87/32/44/807873244.db2.gz IARYDWYRVDZJGV-ZDUSSCGKSA-N 0 3 288.297 3.077 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1C ZINC001263075927 807930973 /nfs/dbraw/zinc/93/09/73/807930973.db2.gz GWABZUMFSLMLFK-HNNXBMFYSA-N 0 3 290.407 3.404 20 30 CGEDHN CCO[C@@H](C(=O)C(C#N)c1cccc(F)n1)c1ccccc1 ZINC001263378063 807949338 /nfs/dbraw/zinc/94/93/38/807949338.db2.gz URIFSXWQVYMTQZ-SUMWQHHRSA-N 0 3 298.317 3.175 20 30 CGEDHN N#CC1(CN[C@@H]2CCc3cc(Cl)ccc3C2)CCC1 ZINC001171092418 807981542 /nfs/dbraw/zinc/98/15/42/807981542.db2.gz XSAGUMZKOPNEQM-OAHLLOKOSA-N 0 3 274.795 3.481 20 30 CGEDHN CCCCC(=O)[C@H](C)N[C@H](C)Cc1cccc(C#N)c1 ZINC001171190255 808004429 /nfs/dbraw/zinc/00/44/29/808004429.db2.gz QTAOWQLIEGICPC-KGLIPLIRSA-N 0 3 272.392 3.227 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)[C@H]1C ZINC001264168012 808042628 /nfs/dbraw/zinc/04/26/28/808042628.db2.gz JLZYPMJNHCLYHT-XHSDSOJGSA-N 0 3 280.456 3.214 20 30 CGEDHN N#CCC1(N[C@H]2CCc3c(F)cccc3C2)CCCC1 ZINC001171417823 808052189 /nfs/dbraw/zinc/05/21/89/808052189.db2.gz FPCVXHULWVMQCE-AWEZNQCLSA-N 0 3 272.367 3.499 20 30 CGEDHN N#Cc1ccccc1CN[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454599 808061850 /nfs/dbraw/zinc/06/18/50/808061850.db2.gz VKINVLMWUOVWSE-INIZCTEOSA-N 0 3 298.336 3.484 20 30 CGEDHN Cc1c2[nH]cnc2ccc1NCCOc1ccc(C#N)cc1 ZINC001171485597 808074323 /nfs/dbraw/zinc/07/43/23/808074323.db2.gz UCXHCIFKTCRMNB-UHFFFAOYSA-N 0 3 292.342 3.234 20 30 CGEDHN C#C[C@H]1CCCN(CCOc2ccc(F)c(Cl)c2)C1 ZINC001171573905 808102745 /nfs/dbraw/zinc/10/27/45/808102745.db2.gz WGBFTWSXAQMEJC-LBPRGKRZSA-N 0 3 281.758 3.203 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001265235088 808122395 /nfs/dbraw/zinc/12/23/95/808122395.db2.gz IFCDBQWDLSMKEF-IAGOWNOFSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001265271233 808125689 /nfs/dbraw/zinc/12/56/89/808125689.db2.gz UVLIVLUFKHADAN-OAHLLOKOSA-N 0 3 290.407 3.139 20 30 CGEDHN N#Cc1ccc2c(c1)CN([C@H]1Cc3cccc(F)c3C1)CC2 ZINC001171793938 808141648 /nfs/dbraw/zinc/14/16/48/808141648.db2.gz NZOWMAGEKYEMGM-KRWDZBQOSA-N 0 3 292.357 3.223 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cnccc1Cl ZINC001172293984 808217726 /nfs/dbraw/zinc/21/77/26/808217726.db2.gz ZMPZAGIEOAFDNX-LBPRGKRZSA-N 0 3 285.778 3.327 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001266491193 808276122 /nfs/dbraw/zinc/27/61/22/808276122.db2.gz GVXWIDKJSZYRPY-CAOSSQGBSA-N 0 3 296.430 3.010 20 30 CGEDHN C=CCN1CCCC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC001266839528 808322533 /nfs/dbraw/zinc/32/25/33/808322533.db2.gz CLKXAMWKTWQTKM-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1CC=C(C)C ZINC001266848946 808323930 /nfs/dbraw/zinc/32/39/30/808323930.db2.gz JAVWCAFEFGTEAZ-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C[C@H](CCCC#N)N(C)Cc1ccc(F)cc1F ZINC001172497883 808354600 /nfs/dbraw/zinc/35/46/00/808354600.db2.gz HFKMHCXKGMQVQJ-LLVKDONJSA-N 0 3 252.308 3.479 20 30 CGEDHN C[C@@H](CCCC#N)NCc1cc(F)cnc1Cl ZINC001172489207 808349444 /nfs/dbraw/zinc/34/94/44/808349444.db2.gz OXIIPRYUQOGCDV-VIFPVBQESA-N 0 3 255.724 3.046 20 30 CGEDHN C[C@@H](CCCC#N)N1CCN(Cc2cccc(F)c2)CC1 ZINC001172507952 808363980 /nfs/dbraw/zinc/36/39/80/808363980.db2.gz ZJCRVCHYLGRNKC-HNNXBMFYSA-N 0 3 289.398 3.026 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)CCCc1ccc(C)s1 ZINC001267235103 808391426 /nfs/dbraw/zinc/39/14/26/808391426.db2.gz UUVAABLZOHZMNT-UHFFFAOYSA-N 0 3 294.464 3.003 20 30 CGEDHN C#CCCN[C@H](CNC(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC001267518267 808437654 /nfs/dbraw/zinc/43/76/54/808437654.db2.gz ZDKZFANWXRRXEH-MUSGIIIZSA-N 0 3 298.430 3.059 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CN(C)C[C@H](F)CC)C1 ZINC001267669483 808468157 /nfs/dbraw/zinc/46/81/57/808468157.db2.gz FRQRQUYGHZYYQK-LSDHHAIUSA-N 0 3 298.446 3.117 20 30 CGEDHN C=CC(C)(C)CC(=O)N(C)CCN(C)Cc1ccccc1 ZINC001268239137 808566881 /nfs/dbraw/zinc/56/68/81/808566881.db2.gz LAUGVGFOVSPIED-UHFFFAOYSA-N 0 3 288.435 3.179 20 30 CGEDHN CC[C@@H]1CC[C@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001173261313 808567821 /nfs/dbraw/zinc/56/78/21/808567821.db2.gz BSYYRMCRKZMJCU-KOLCDFICSA-N 0 3 251.761 3.019 20 30 CGEDHN C=CCOC1CCC(NCc2nc3ccccc3o2)CC1 ZINC001173309230 808605011 /nfs/dbraw/zinc/60/50/11/808605011.db2.gz UDDMVWLNKZUNNV-UHFFFAOYSA-N 0 3 286.375 3.431 20 30 CGEDHN C=CCOC1CCC(NCC(=O)c2ccccc2F)CC1 ZINC001173313352 808607875 /nfs/dbraw/zinc/60/78/75/808607875.db2.gz VPQSVYWUGAHPPN-UHFFFAOYSA-N 0 3 291.366 3.112 20 30 CGEDHN Cc1nc2ccc(Nc3ccc(O)c(C#N)c3)cc2[nH]1 ZINC001213075298 815223380 /nfs/dbraw/zinc/22/33/80/815223380.db2.gz NGKIRBCWBNOHOC-UHFFFAOYSA-N 0 3 264.288 3.192 20 30 CGEDHN CC1(C#N)CCC([NH2+]Cc2ccc([O-])cc2F)CC1 ZINC001173590388 808647418 /nfs/dbraw/zinc/64/74/18/808647418.db2.gz HTSALODGKUBCJE-UHFFFAOYSA-N 0 3 262.328 3.093 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001269101108 808647863 /nfs/dbraw/zinc/64/78/63/808647863.db2.gz QGRMLWOHZAOOHM-XDXAGZTOSA-N 0 3 298.430 3.165 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001269268224 808661892 /nfs/dbraw/zinc/66/18/92/808661892.db2.gz JHYKIJCHJIIMLH-CVEARBPZSA-N 0 3 278.440 3.088 20 30 CGEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)cc1C#N ZINC001173931550 808771195 /nfs/dbraw/zinc/77/11/95/808771195.db2.gz LEPSOPMWBCPNIN-UHFFFAOYSA-N 0 3 276.343 3.235 20 30 CGEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(CC=C(C)C)C2 ZINC001273487294 808848035 /nfs/dbraw/zinc/84/80/35/808848035.db2.gz XCRWIBFKFAHFSV-SFHVURJKSA-N 0 3 290.451 3.376 20 30 CGEDHN C=Cc1ccc(C(=O)NCC[C@H](C)NCC(=C)Cl)cc1 ZINC001274792757 808887488 /nfs/dbraw/zinc/88/74/88/808887488.db2.gz RCJCLVHQHPWMIO-ZDUSSCGKSA-N 0 3 292.810 3.180 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1ccc(CC)cc1 ZINC001275520848 808944364 /nfs/dbraw/zinc/94/43/64/808944364.db2.gz JUPXGSPTEFPVSE-HNNXBMFYSA-N 0 3 288.435 3.152 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)c1occc1-c1ccccc1 ZINC001275872847 808972018 /nfs/dbraw/zinc/97/20/18/808972018.db2.gz GFCXDBRLLVLHLL-AWEZNQCLSA-N 0 3 298.386 3.183 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@]1(C)CC=CCC1 ZINC001277193075 809062256 /nfs/dbraw/zinc/06/22/56/809062256.db2.gz APGWOZFWVHIPJQ-GDBMZVCRSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(C)CN[C@H](CNC(=O)C(C)C)c1ccccc1CC ZINC001278969654 809159689 /nfs/dbraw/zinc/15/96/89/809159689.db2.gz NSERGRADLGSBJU-QGZVFWFLSA-N 0 3 288.435 3.228 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC001279583392 809175686 /nfs/dbraw/zinc/17/56/86/809175686.db2.gz YDRWLWMONCFRMB-AEFFLSMTSA-N 0 3 290.451 3.137 20 30 CGEDHN CC#CCN1CCC[C@@H](NC(=O)C(CC)(CC)CC)CC1 ZINC001280761178 809197148 /nfs/dbraw/zinc/19/71/48/809197148.db2.gz VOMJVVHVWJHYSA-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NC/C=C\Cl)C(C)(C)C1 ZINC001284291316 809303478 /nfs/dbraw/zinc/30/34/78/809303478.db2.gz BVUZKRYKGUBHKZ-MEJMFZKBSA-N 0 3 298.858 3.168 20 30 CGEDHN Cc1ccc(NC(=O)C#Cc2cccs2)c(CN(C)C)c1 ZINC001293541779 809451032 /nfs/dbraw/zinc/45/10/32/809451032.db2.gz OOTOOWGAIAZRRL-UHFFFAOYSA-N 0 3 298.411 3.108 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H](CCCC)C(C)C ZINC001177084550 809779969 /nfs/dbraw/zinc/77/99/69/809779969.db2.gz VHBCCRYIEPDBLH-CQSZACIVSA-N 0 3 288.863 3.297 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001177155752 809783217 /nfs/dbraw/zinc/78/32/17/809783217.db2.gz ORNDXPLXJDAJJM-ZDUSSCGKSA-N 0 3 286.847 3.051 20 30 CGEDHN C#Cc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001178758919 809885608 /nfs/dbraw/zinc/88/56/08/809885608.db2.gz NKQIYJMRJIZLSS-UHFFFAOYSA-N 0 3 294.354 3.483 20 30 CGEDHN C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1[O-] ZINC001179489161 809925145 /nfs/dbraw/zinc/92/51/45/809925145.db2.gz HDVBQRLCNHZMRR-SNVBAGLBSA-N 0 3 258.346 3.176 20 30 CGEDHN C[C@H](NCc1ccc2oc(=O)oc2c1)c1cccc(C#N)c1 ZINC001179584712 809931340 /nfs/dbraw/zinc/93/13/40/809931340.db2.gz WUDMDFBQJDCPJB-NSHDSACASA-N 0 3 294.310 3.108 20 30 CGEDHN C[C@]1(c2ccccc2)CC[C@H](NCC2(C#N)CCOCC2)C1 ZINC001184276163 810187989 /nfs/dbraw/zinc/18/79/89/810187989.db2.gz DEQYDVMLUWZZNI-ROUUACIJSA-N 0 3 298.430 3.407 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)CCCCCC)[C@@H]2C1 ZINC001189506931 810574215 /nfs/dbraw/zinc/57/42/15/810574215.db2.gz NEWCHFQDQNAXKS-YESZJQIVSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CCN(C/C=C(\C)COC)[C@H]1CCc2ccccc21 ZINC001190530030 810632357 /nfs/dbraw/zinc/63/23/57/810632357.db2.gz YXERUTSWSIXZGK-OTMARIDSSA-N 0 3 269.388 3.202 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001191902058 810755407 /nfs/dbraw/zinc/75/54/07/810755407.db2.gz MAZHCBKJIZQWDB-HOTGVXAUSA-N 0 3 278.440 3.088 20 30 CGEDHN CCCCCCCOC(=O)N[C@@]1(C)CCCN(C)C1 ZINC001194020224 811003532 /nfs/dbraw/zinc/00/35/32/811003532.db2.gz OPFGFXXBYZBHNN-HNNXBMFYSA-N 0 3 270.417 3.167 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194184142 811031172 /nfs/dbraw/zinc/03/11/72/811031172.db2.gz ZCYCOWYAZGNOAP-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001194199670 811034121 /nfs/dbraw/zinc/03/41/21/811034121.db2.gz FBKKBLPXZGVKCK-SJLPKXTDSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194360142 811059953 /nfs/dbraw/zinc/05/99/53/811059953.db2.gz WZLUSXHOSVQGAJ-HOTGVXAUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001194606053 811092425 /nfs/dbraw/zinc/09/24/25/811092425.db2.gz HEBCRLFGTBUYCT-DUMMIQTOSA-N 0 3 298.430 3.117 20 30 CGEDHN CCCCCCCCOC(=O)NCCN1CCCC1 ZINC001194730389 811118002 /nfs/dbraw/zinc/11/80/02/811118002.db2.gz KADYVOBHOSMDLO-UHFFFAOYSA-N 0 3 270.417 3.169 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001197038867 811394042 /nfs/dbraw/zinc/39/40/42/811394042.db2.gz ZLJBUOGRMNDQPZ-GFOMBABLSA-N 0 3 292.467 3.479 20 30 CGEDHN C=CCC(C)(C)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001197291388 811412257 /nfs/dbraw/zinc/41/22/57/811412257.db2.gz BZUKKLVLECBZKE-FPLPWBNLSA-N 0 3 292.467 3.479 20 30 CGEDHN C#CCN(CCOC1CC1)[C@H]1CCCc2ccccc21 ZINC001198103151 811476656 /nfs/dbraw/zinc/47/66/56/811476656.db2.gz DEVSSVFTASOBRU-SFHVURJKSA-N 0 3 269.388 3.178 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)CCCC2CCCC2)CC1 ZINC001198290976 811489827 /nfs/dbraw/zinc/48/98/27/811489827.db2.gz WIZZMOZHGBUKNW-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C=CCSCCNCc1ccc(OC)cc1Cl ZINC001201947160 811980167 /nfs/dbraw/zinc/98/01/67/811980167.db2.gz RSEXQCJJYSDXHB-UHFFFAOYSA-N 0 3 271.813 3.357 20 30 CGEDHN N#Cc1ncc(Nc2ccnc(C3CC3)c2)cc1F ZINC001203056511 812231127 /nfs/dbraw/zinc/23/11/27/812231127.db2.gz WGNSVYUVMGVFLH-UHFFFAOYSA-N 0 3 254.268 3.108 20 30 CGEDHN Cc1ccsc1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001204021056 812523138 /nfs/dbraw/zinc/52/31/38/812523138.db2.gz DGAILWHJMMAKIW-UHFFFAOYSA-N 0 3 297.427 3.250 20 30 CGEDHN N#Cc1ccc(CC2CCN(Cc3cccnc3)CC2)cc1 ZINC001204075331 812541832 /nfs/dbraw/zinc/54/18/32/812541832.db2.gz CBYPGGRXRSDZPF-UHFFFAOYSA-N 0 3 291.398 3.408 20 30 CGEDHN Cc1cccc(CN2CCC3SC(=O)C=C3C2)c1C ZINC001205066416 812844170 /nfs/dbraw/zinc/84/41/70/812844170.db2.gz BLJXBEZVZLPSCG-OAHLLOKOSA-N 0 3 273.401 3.078 20 30 CGEDHN C=C(C)CN(CC)CCc1c(Cl)ncnc1Cl ZINC001207331846 813540839 /nfs/dbraw/zinc/54/08/39/813540839.db2.gz WQYVYAFBDDTIKU-UHFFFAOYSA-N 0 3 274.195 3.224 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCC3(CC(=O)CO3)CC2)CC1 ZINC001208170185 813723876 /nfs/dbraw/zinc/72/38/76/813723876.db2.gz DQUIRCSOKOKFEY-MRXNPFEDSA-N 0 3 289.419 3.113 20 30 CGEDHN N#Cc1cccc(CCCN2CCCC[C@@H](F)C2)c1 ZINC001208846271 813865408 /nfs/dbraw/zinc/86/54/08/813865408.db2.gz YWHGXXFDJHGPOB-MRXNPFEDSA-N 0 3 260.356 3.315 20 30 CGEDHN C=CCCCN1CCN(c2cc(Cl)ccc2OC)CC1 ZINC001209160111 813951950 /nfs/dbraw/zinc/95/19/50/813951950.db2.gz FVZAUQDGYXCWGX-UHFFFAOYSA-N 0 3 294.826 3.437 20 30 CGEDHN C#CCCCN1CCSC[C@H]1c1ccc(F)cc1 ZINC001209265964 813988380 /nfs/dbraw/zinc/98/83/80/813988380.db2.gz DOPIXSIGZIMPDU-HNNXBMFYSA-N 0 3 263.381 3.329 20 30 CGEDHN C=CCCCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC001209439442 814038526 /nfs/dbraw/zinc/03/85/26/814038526.db2.gz PWXFJLASXACWLS-GOSISDBHSA-N 0 3 294.483 3.310 20 30 CGEDHN C=CCCCCCCCN1CCc2ncncc2C1 ZINC001209439763 814039081 /nfs/dbraw/zinc/03/90/81/814039081.db2.gz YKFXBBZQYIFZLH-UHFFFAOYSA-N 0 3 259.397 3.361 20 30 CGEDHN C=CCCCCCCCN1CCc2ncn(C)c2C1 ZINC001209440659 814041888 /nfs/dbraw/zinc/04/18/88/814041888.db2.gz AUUGTHVVZKZFOB-UHFFFAOYSA-N 0 3 261.413 3.305 20 30 CGEDHN N#Cc1ccc([O-])c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001210715491 814594513 /nfs/dbraw/zinc/59/45/13/814594513.db2.gz VGJXDZTUZRZDQJ-HNNXBMFYSA-N 0 3 283.375 3.208 20 30 CGEDHN CC(C)c1c(C#N)cccc1O[C@H]1CNCCC1(F)F ZINC001218455079 816221730 /nfs/dbraw/zinc/22/17/30/816221730.db2.gz IXKGHPONLWLQIR-ZDUSSCGKSA-N 0 3 280.318 3.058 20 30 CGEDHN Cc1cc(O[C@H]2CNCc3ccccc32)ccc1C#N ZINC001218487518 816242592 /nfs/dbraw/zinc/24/25/92/816242592.db2.gz JAEAPAGHKRMSGZ-KRWDZBQOSA-N 0 3 264.328 3.090 20 30 CGEDHN Cc1cccc(C#N)c1O[C@@H]1CNCc2ccccc21 ZINC001218491990 816246496 /nfs/dbraw/zinc/24/64/96/816246496.db2.gz ZLAABMOFROHRQG-MRXNPFEDSA-N 0 3 264.328 3.090 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1cnc(C2CC2)s1 ZINC001218715273 816249882 /nfs/dbraw/zinc/24/98/82/816249882.db2.gz SAGWYPBWPYQSII-LBPRGKRZSA-N 0 3 293.436 3.423 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccccc1N(C)C ZINC001218835363 816254717 /nfs/dbraw/zinc/25/47/17/816254717.db2.gz WAQOEPXGTKBLGJ-AWEZNQCLSA-N 0 3 289.423 3.155 20 30 CGEDHN C#CCN1CCC(CNC(=O)C[C@@H](CC)CCCC)CC1 ZINC001223873358 816695213 /nfs/dbraw/zinc/69/52/13/816695213.db2.gz SSDYIWPBTOFWMD-INIZCTEOSA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCN1CCC(CNC(=O)C[C@H](CC)CCCC)CC1 ZINC001223873359 816695293 /nfs/dbraw/zinc/69/52/93/816695293.db2.gz SSDYIWPBTOFWMD-MRXNPFEDSA-N 0 3 292.467 3.054 20 30 CGEDHN CCCCCCCC[C@@H](C)OCCN1CCN(C)CC1 ZINC001224550568 816827184 /nfs/dbraw/zinc/82/71/84/816827184.db2.gz WXXVBMDCSKSIKK-QGZVFWFLSA-N 0 3 284.488 3.390 20 30 CGEDHN CC(C)N1CCC[C@@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225726709 817158271 /nfs/dbraw/zinc/15/82/71/817158271.db2.gz HESNOEDPBHZUDK-CYBMUJFWSA-N 0 3 278.783 3.463 20 30 CGEDHN C=CCCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1ccccc1 ZINC001231123230 818037577 /nfs/dbraw/zinc/03/75/77/818037577.db2.gz ROXPXRCUIDWJMY-DOTOQJQBSA-N 0 3 286.419 3.247 20 30 CGEDHN CN(Cc1c[nH]c2cccnc12)Cc1cccc(C#N)c1 ZINC001231493725 818113020 /nfs/dbraw/zinc/11/30/20/818113020.db2.gz VOUMPLBPDDDACH-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC12CCCCC2 ZINC001231616466 818138824 /nfs/dbraw/zinc/13/88/24/818138824.db2.gz BFUQPGXOFBMBAJ-UHFFFAOYSA-N 0 3 270.376 3.475 20 30 CGEDHN C#Cc1cccc(CN2CCC3(CC(F)(F)CO3)CC2)c1 ZINC001231656160 818150915 /nfs/dbraw/zinc/15/09/15/818150915.db2.gz GDVISYGRWVQXQG-UHFFFAOYSA-N 0 3 291.341 3.058 20 30 CGEDHN C#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001231656254 818150977 /nfs/dbraw/zinc/15/09/77/818150977.db2.gz HBBBFXDNARTPFO-GASCZTMLSA-N 0 3 261.315 3.145 20 30 CGEDHN N#Cc1ccc(CN2CCC3(C2)CCOCC3)cc1Cl ZINC001232120137 818259836 /nfs/dbraw/zinc/25/98/36/818259836.db2.gz NMUXFJVUHZKOND-UHFFFAOYSA-N 0 3 290.794 3.214 20 30 CGEDHN Cc1c(F)cc(CN2CCC3SC(=O)C=C3C2)cc1F ZINC001232421822 818343379 /nfs/dbraw/zinc/34/33/79/818343379.db2.gz PBIWUDYYEHPSHE-AWEZNQCLSA-N 0 3 295.354 3.047 20 30 CGEDHN COc1cccc(CCCN(C)Cc2cc(C#N)ccn2)c1 ZINC001232480401 818365225 /nfs/dbraw/zinc/36/52/25/818365225.db2.gz VKZLLIYKXNGVOE-UHFFFAOYSA-N 0 3 295.386 3.026 20 30 CGEDHN COC(C)(C)[C@H]1CCCN1Cc1ccc(C)cc1C#N ZINC001232966723 818485160 /nfs/dbraw/zinc/48/51/60/818485160.db2.gz SPRMSTNCNQJSKK-MRXNPFEDSA-N 0 3 272.392 3.256 20 30 CGEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233102429 818521700 /nfs/dbraw/zinc/52/17/00/818521700.db2.gz ZGTCORBHFYURJU-CHWSQXEVSA-N 0 3 289.398 3.241 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(O)c(OCC3CC3)c2)C1 ZINC001233229771 818546446 /nfs/dbraw/zinc/54/64/46/818546446.db2.gz OPKKSQRLFJLXHI-AWEZNQCLSA-N 0 3 285.387 3.026 20 30 CGEDHN Cc1ncc(CN2CCC(Cc3ccc(C#N)cc3)CC2)o1 ZINC001233367274 818599625 /nfs/dbraw/zinc/59/96/25/818599625.db2.gz WHTAVYKTZILSLL-UHFFFAOYSA-N 0 3 295.386 3.309 20 30 CGEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CC[C@H](C)F ZINC001234518947 818871866 /nfs/dbraw/zinc/87/18/66/818871866.db2.gz YMLINLYCPXNYKV-GOEBONIOSA-N 0 3 296.430 3.036 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235455154 819102726 /nfs/dbraw/zinc/10/27/26/819102726.db2.gz OVJRBZBZEUPBLA-INIZCTEOSA-N 0 3 292.467 3.456 20 30 CGEDHN CN(Cc1cccs1)Cc1ccccc1CC#N ZINC001235523937 819114760 /nfs/dbraw/zinc/11/47/60/819114760.db2.gz WVPRBVBOHCRIHG-UHFFFAOYSA-N 0 3 256.374 3.446 20 30 CGEDHN N#Cc1nccnc1-c1cccc(CN2CCCCC2)c1F ZINC001236002390 819269175 /nfs/dbraw/zinc/26/91/75/819269175.db2.gz INSXQYXICILVHB-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN Cc1cccc(CN2CCC3SC(=O)C=C3C2)c1Cl ZINC001236852794 819622284 /nfs/dbraw/zinc/62/22/84/819622284.db2.gz DTXCQVBHXJFIRA-CYBMUJFWSA-N 0 3 293.819 3.423 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001236900505 819635014 /nfs/dbraw/zinc/63/50/14/819635014.db2.gz FKJWPWWUMBBCLU-AWEZNQCLSA-N 0 3 299.805 3.371 20 30 CGEDHN COc1cccc2c(CN3CCC[C@@H](C#N)CC3)ccnc12 ZINC001237117734 819671332 /nfs/dbraw/zinc/67/13/32/819671332.db2.gz UNVYTDSWUGUFGV-CQSZACIVSA-N 0 3 295.386 3.369 20 30 CGEDHN Fc1ccc(CN2CCC(S)CC2)c2ncccc12 ZINC001237425207 819749455 /nfs/dbraw/zinc/74/94/55/819749455.db2.gz BDDJXMDPJIKIGQ-UHFFFAOYSA-N 0 3 276.380 3.268 20 30 CGEDHN Cn1cc(CN2CCC[C@H]3C[C@H]32)c2cc(C#N)ccc21 ZINC001237473348 819759043 /nfs/dbraw/zinc/75/90/43/819759043.db2.gz YBPYCYMSMBOWIU-SUMWQHHRSA-N 0 3 265.360 3.034 20 30 CGEDHN COc1c(C)cccc1CN1CCC(CC#N)CC1 ZINC001237509727 819767020 /nfs/dbraw/zinc/76/70/20/819767020.db2.gz CAEKEVCQMPQCBV-UHFFFAOYSA-N 0 3 258.365 3.129 20 30 CGEDHN CCCCCCCNC(=S)N1CCN[C@@H](CC(C)C)C1 ZINC001239439159 820306162 /nfs/dbraw/zinc/30/61/62/820306162.db2.gz MKPYYDCUDICXIC-HNNXBMFYSA-N 0 3 299.528 3.151 20 30 CGEDHN N#Cc1cnccc1C1=CCCN(Cc2ccccc2)C1 ZINC001240388727 821012326 /nfs/dbraw/zinc/01/23/26/821012326.db2.gz TXFSZULCXOLOCS-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN COc1cc(C#N)ccc1-c1ccc2c(N)ccnc2c1 ZINC001241408293 821804793 /nfs/dbraw/zinc/80/47/93/821804793.db2.gz QCAYVIINKPXMNT-UHFFFAOYSA-N 0 3 275.311 3.364 20 30 CGEDHN C#Cc1cccc(-c2cc(OC3CCN(C)CC3)ccn2)c1 ZINC001241918735 822218390 /nfs/dbraw/zinc/21/83/90/822218390.db2.gz LLYTWMVXGCJMRV-UHFFFAOYSA-N 0 3 292.382 3.203 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001340458202 936405400 /nfs/dbraw/zinc/40/54/00/936405400.db2.gz YWJIJNMEJBHDFU-FRRDWIJNSA-N 0 3 299.349 3.278 20 30 CGEDHN CCC(CC)NN=Cc1ccc(N2CCCC2)cc1 ZINC001341191742 936430569 /nfs/dbraw/zinc/43/05/69/936430569.db2.gz HJUQYYMTZZSDDQ-UHFFFAOYSA-N 0 3 259.397 3.399 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NCc1ccc(C)nc1 ZINC001341661100 936446235 /nfs/dbraw/zinc/44/62/35/936446235.db2.gz CEKICWOGCZSDBW-MRXNPFEDSA-N 0 3 291.439 3.084 20 30 CGEDHN C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccccc1[O-] ZINC001342181290 936461957 /nfs/dbraw/zinc/46/19/57/936461957.db2.gz RKQFXPTUCLKZKT-CYBMUJFWSA-N 0 3 282.343 3.145 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC001342734085 936477005 /nfs/dbraw/zinc/47/70/05/936477005.db2.gz RMCQBMORSSOMDZ-CMPLNLGQSA-N 0 3 271.307 3.140 20 30 CGEDHN N#CC(C(=O)CCc1ccsc1)c1cccc(F)n1 ZINC001343310882 936494614 /nfs/dbraw/zinc/49/46/14/936494614.db2.gz CPDVZTYUXPPONA-LLVKDONJSA-N 0 3 274.320 3.091 20 30 CGEDHN N#CC(C(=O)CC1(C#N)CC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369260 936531830 /nfs/dbraw/zinc/53/18/30/936531830.db2.gz VTAKUXWODIWILI-VIFPVBQESA-N 0 3 298.733 3.086 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC001344874702 936547524 /nfs/dbraw/zinc/54/75/24/936547524.db2.gz FICKQCZPJXIONB-ZBFHGGJFSA-N 0 3 293.370 3.199 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCSC(C)(C)C ZINC001349701975 936958432 /nfs/dbraw/zinc/95/84/32/936958432.db2.gz LKYOKGJEOVTKFC-GFCCVEGCSA-N 0 3 293.436 3.391 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001349701382 936958561 /nfs/dbraw/zinc/95/85/61/936958561.db2.gz DRDXUMAGOPUBHV-JHJVBQTASA-N 0 3 299.399 3.253 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001481044502 926870725 /nfs/dbraw/zinc/87/07/25/926870725.db2.gz PYTWCZRIDVRPEF-INIZCTEOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@H](C(=O)NCCN(CC(=C)C)C1CC1)c1ccccc1 ZINC001481200506 926906961 /nfs/dbraw/zinc/90/69/61/926906961.db2.gz OIKJUMGDAOLTHC-SFHVURJKSA-N 0 3 298.430 3.113 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](F)C(C)C)c1ccccc1 ZINC001481369929 926969773 /nfs/dbraw/zinc/96/97/73/926969773.db2.gz UESZKAURCJVANI-HOTGVXAUSA-N 0 3 292.398 3.004 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NCC[C@H]1CCN(C/C=C\Cl)C1 ZINC001481446544 926985854 /nfs/dbraw/zinc/98/58/54/926985854.db2.gz IBXQIWIFBBTXOD-ZJIBPLLGSA-N 0 3 298.858 3.169 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccc(C#N)cc1 ZINC000336466539 926996759 /nfs/dbraw/zinc/99/67/59/926996759.db2.gz HJPFEEQOFCGBKE-ABAIWWIYSA-N 0 3 266.348 3.010 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001481747829 927078260 /nfs/dbraw/zinc/07/82/60/927078260.db2.gz MVVXKABMZLBCKI-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001483694144 927578281 /nfs/dbraw/zinc/57/82/81/927578281.db2.gz KGUYLQYKTGMTTF-CVEARBPZSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC001357688263 937177972 /nfs/dbraw/zinc/17/79/72/937177972.db2.gz TXCBJBCQAJHOQN-UHFFFAOYSA-N 0 3 276.380 3.052 20 30 CGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001483974098 927656605 /nfs/dbraw/zinc/65/66/05/927656605.db2.gz RAZDQTGQHVRKQB-INIZCTEOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1(C)CC=CC1 ZINC001484556986 927720432 /nfs/dbraw/zinc/72/04/32/927720432.db2.gz CHJXIVXIUYNVTD-UHFFFAOYSA-N 0 3 298.430 3.277 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)CC/C=C/c1ccccc1 ZINC001485352492 927853484 /nfs/dbraw/zinc/85/34/84/927853484.db2.gz ZWYZQPJQEBSAGU-OQRGYWNNSA-N 0 3 286.419 3.103 20 30 CGEDHN C=CC[C@@H](C(=O)OC)N1CC[C@H](C)C2(CCCCC2)C1 ZINC001473405814 937198985 /nfs/dbraw/zinc/19/89/85/937198985.db2.gz LSFXCEJYXYIEGO-GJZGRUSLSA-N 0 3 279.424 3.396 20 30 CGEDHN C=CC[C@H]1N(CC[S@@](=O)C(F)(F)F)CCCC1(C)C ZINC001473432127 937199212 /nfs/dbraw/zinc/19/92/12/937199212.db2.gz IVONEZNNLFKTKG-NSPYISDASA-N 0 3 297.386 3.322 20 30 CGEDHN C=CCN(C)CCN(CC)Cc1cc(C(F)(F)F)co1 ZINC001473431756 937199637 /nfs/dbraw/zinc/19/96/37/937199637.db2.gz KKDAQTWGYFZYTO-UHFFFAOYSA-N 0 3 290.329 3.238 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001486168901 927993178 /nfs/dbraw/zinc/99/31/78/927993178.db2.gz ATMGWJINAYHSCF-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230845023 928072884 /nfs/dbraw/zinc/07/28/84/928072884.db2.gz UXXXYRCLQIPGIR-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)C(CC)CC)CC1 ZINC001490411119 928358573 /nfs/dbraw/zinc/35/85/73/928358573.db2.gz MKTIYPOPPKPHJD-AWEZNQCLSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCN1CCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001490434100 928361620 /nfs/dbraw/zinc/36/16/20/928361620.db2.gz KKJIGISPLGAOSO-OAHLLOKOSA-N 0 3 290.407 3.057 20 30 CGEDHN C#CCN(Cc1cc2cccc(OC)c2o1)CC1CC1 ZINC001319841270 928483988 /nfs/dbraw/zinc/48/39/88/928483988.db2.gz ABWZOTKFTRNUMI-UHFFFAOYSA-N 0 3 269.344 3.287 20 30 CGEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCCC(C)C)C1 ZINC001491295471 928854684 /nfs/dbraw/zinc/85/46/84/928854684.db2.gz BIPCWTVHDRMUKA-IRXDYDNUSA-N 0 3 292.467 3.053 20 30 CGEDHN CN1CCc2cc(O[C@@H](C#N)c3ccccc3F)ccc2C1 ZINC001228945992 932056665 /nfs/dbraw/zinc/05/66/65/932056665.db2.gz ZGXLFNPEPKAYOH-SFHVURJKSA-N 0 3 296.345 3.457 20 30 CGEDHN C#Cc1ccc(CNCc2cnc(Cl)c(C)c2)cc1 ZINC001461514266 937584177 /nfs/dbraw/zinc/58/41/77/937584177.db2.gz QWPVZMDBSSUMDP-UHFFFAOYSA-N 0 3 270.763 3.315 20 30 CGEDHN C#C[C@@H](C)Oc1cccc(C2(C(=O)CC)CCN(C)CC2)c1 ZINC001229734492 932476239 /nfs/dbraw/zinc/47/62/39/932476239.db2.gz XLWXMXYDIGFFKA-OAHLLOKOSA-N 0 3 299.414 3.030 20 30 CGEDHN C#CCN(CC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001461991523 937611563 /nfs/dbraw/zinc/61/15/63/937611563.db2.gz YWKPAWHBXVWWJL-UHFFFAOYSA-N 0 3 275.392 3.153 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001230633607 932601209 /nfs/dbraw/zinc/60/12/09/932601209.db2.gz JGBSRPLNTGMOTN-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001230762011 932620269 /nfs/dbraw/zinc/62/02/69/932620269.db2.gz DVZYYPUJVWRVLO-HUUCEWRRSA-N 0 3 290.407 3.089 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230823434 932627755 /nfs/dbraw/zinc/62/77/55/932627755.db2.gz HFDZPBNTZKLSRM-LSDHHAIUSA-N 0 3 298.496 3.015 20 30 CGEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)s1)C2 ZINC001232843305 932683247 /nfs/dbraw/zinc/68/32/47/932683247.db2.gz VLSAUIVVQCUQLA-CJNGLKHVSA-N 0 3 290.432 3.258 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001254643862 932725131 /nfs/dbraw/zinc/72/51/31/932725131.db2.gz NWGMEZGWYKKTIR-XDMRBOTDSA-N 0 3 262.303 3.234 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1cccc(Oc2ccccn2)c1 ZINC001462157962 937621463 /nfs/dbraw/zinc/62/14/63/937621463.db2.gz PCRVPYTYNSDXJJ-CQSZACIVSA-N 0 3 266.344 3.327 20 30 CGEDHN C=C(C)CN(CCCC(F)(F)F)Cc1ccc(CO)o1 ZINC001333767362 932761753 /nfs/dbraw/zinc/76/17/53/932761753.db2.gz LHMZSOYVFIYWIL-UHFFFAOYSA-N 0 3 291.313 3.493 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(C)cccc1C ZINC001492086540 932805300 /nfs/dbraw/zinc/80/53/00/932805300.db2.gz UIONSUBMMXBCSE-CQSZACIVSA-N 0 3 294.826 3.154 20 30 CGEDHN C#CCN(CC1CC1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001307587685 932973358 /nfs/dbraw/zinc/97/33/58/932973358.db2.gz CQBWJFHJXYHKOS-CYBMUJFWSA-N 0 3 272.348 3.309 20 30 CGEDHN CCCCCCCCCN1CCCn2nncc2C1 ZINC001308081758 933046727 /nfs/dbraw/zinc/04/67/27/933046727.db2.gz LKBSMNSMTVHBBV-UHFFFAOYSA-N 0 3 264.417 3.234 20 30 CGEDHN N#Cc1ccc(CN2CCCSC[C@@H]2C2CC2)cc1F ZINC001308120856 933053209 /nfs/dbraw/zinc/05/32/09/933053209.db2.gz CQTSQRWETLBISI-MRXNPFEDSA-N 0 3 290.407 3.415 20 30 CGEDHN C=CCCOCCNCc1cc(C)ccc1OC(F)F ZINC001308361607 933101300 /nfs/dbraw/zinc/10/13/00/933101300.db2.gz XSIJALPUWRMZIX-UHFFFAOYSA-N 0 3 285.334 3.279 20 30 CGEDHN CC#CCN(CCCNC(=O)C(C)(C)CC(C)C)C1CC1 ZINC001316929948 933497766 /nfs/dbraw/zinc/49/77/66/933497766.db2.gz KJPSSVUNPSMLNR-UHFFFAOYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001316981150 933505962 /nfs/dbraw/zinc/50/59/62/933505962.db2.gz RSEMYIYXPGNWET-KRWDZBQOSA-N 0 3 286.419 3.042 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](C)CCC)C1CC1 ZINC001318685140 933762844 /nfs/dbraw/zinc/76/28/44/933762844.db2.gz CLGMFLKSQHPNPF-IAQYHMDHSA-N 0 3 286.847 3.050 20 30 CGEDHN COc1ccc(CNCc2ccc3c(c2)CCC3)cc1C#N ZINC001318780812 933776622 /nfs/dbraw/zinc/77/66/22/933776622.db2.gz ZBLFXVLRFLRBSS-UHFFFAOYSA-N 0 3 292.382 3.345 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001318817002 933783138 /nfs/dbraw/zinc/78/31/38/933783138.db2.gz PVGMMMYIUFZUHA-AWEZNQCLSA-N 0 3 298.858 3.147 20 30 CGEDHN CN(C)[C@H](CNc1cccc(CC#N)n1)c1cccc(F)c1 ZINC001319180577 933839149 /nfs/dbraw/zinc/83/91/49/933839149.db2.gz RXTVKIHHEUNVNA-MRXNPFEDSA-N 0 3 298.365 3.002 20 30 CGEDHN C=CCN1CCC(Nc2ccccc2Cl)CC1 ZINC001319590658 933896966 /nfs/dbraw/zinc/89/69/66/933896966.db2.gz VOFAIGFONIWPIQ-UHFFFAOYSA-N 0 3 250.773 3.402 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC001320084546 933995325 /nfs/dbraw/zinc/99/53/25/933995325.db2.gz ASQGJHWIEYEMQO-CQSZACIVSA-N 0 3 283.318 3.065 20 30 CGEDHN C=C[C@H](COC)NCc1ccc2c(c1)CCC(C)(C)O2 ZINC001320294075 934026922 /nfs/dbraw/zinc/02/69/22/934026922.db2.gz JBYRDIKQWBZULI-OAHLLOKOSA-N 0 3 275.392 3.081 20 30 CGEDHN C=C[C@@H](COC)N[C@H]1CCc2cc(Cl)ccc21 ZINC001320305641 934027278 /nfs/dbraw/zinc/02/72/78/934027278.db2.gz BMXSERXMOPKSSB-JSGCOSHPSA-N 0 3 251.757 3.118 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CNCc1c(C)cccc1Cl ZINC001321800282 934213288 /nfs/dbraw/zinc/21/32/88/934213288.db2.gz AOYRRSSCABZGLM-ZDUSSCGKSA-N 0 3 294.826 3.209 20 30 CGEDHN C=CCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001323716150 934419856 /nfs/dbraw/zinc/41/98/56/934419856.db2.gz UVTWECFFSLZDPZ-HNNXBMFYSA-N 0 3 283.371 3.322 20 30 CGEDHN C=CCO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001323716150 934419858 /nfs/dbraw/zinc/41/98/58/934419858.db2.gz UVTWECFFSLZDPZ-HNNXBMFYSA-N 0 3 283.371 3.322 20 30 CGEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](CC)CCCCC)C1 ZINC001324674475 934545806 /nfs/dbraw/zinc/54/58/06/934545806.db2.gz QIRFMYPFQHQQCP-AEFFLSMTSA-N 0 3 292.467 3.197 20 30 CGEDHN N#Cc1ccc(F)cc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC001472634307 937778852 /nfs/dbraw/zinc/77/88/52/937778852.db2.gz BARAIVGUROSJBT-KRWDZBQOSA-N 0 3 295.361 3.384 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001324960725 934876764 /nfs/dbraw/zinc/87/67/64/934876764.db2.gz JBFGMLVPDXOWSF-AEFFLSMTSA-N 0 3 294.483 3.463 20 30 CGEDHN C#C[C@H]1CCCN(CCSc2ccc(F)cc2F)C1 ZINC001473587534 937812402 /nfs/dbraw/zinc/81/24/02/937812402.db2.gz MECGQSFJNVSLKH-LBPRGKRZSA-N 0 3 281.371 3.402 20 30 CGEDHN C#CC1CCN([C@H](CC)C(=O)N(C)c2ccc(C)cc2)CC1 ZINC001473582701 937812615 /nfs/dbraw/zinc/81/26/15/937812615.db2.gz XZYGBCDHVSHPBX-GOSISDBHSA-N 0 3 298.430 3.082 20 30 CGEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2CC(C)C2)cc1 ZINC001326468446 934982463 /nfs/dbraw/zinc/98/24/63/934982463.db2.gz MNYLEDNFQZYRQK-SWKXRBFHSA-N 0 3 298.430 3.023 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)n1cc(CNCC2CC2)nn1 ZINC001326919536 935015499 /nfs/dbraw/zinc/01/54/99/935015499.db2.gz UTSCLFLPJYOUIZ-SFHVURJKSA-N 0 3 296.418 3.138 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CCC(O)CC1 ZINC001327545424 935068500 /nfs/dbraw/zinc/06/85/00/935068500.db2.gz FCTFSILHPPPIAG-JDGDGYACSA-N 0 3 298.430 3.309 20 30 CGEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCC(O)CC1 ZINC001327545426 935068646 /nfs/dbraw/zinc/06/86/46/935068646.db2.gz FCTFSILHPPPIAG-SOTJZCEJSA-N 0 3 298.430 3.309 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC[C@H](C)CC)C(C)(C)C1 ZINC001330242575 935279766 /nfs/dbraw/zinc/27/97/66/935279766.db2.gz MCYAIFCRMVVJNC-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccoc1CC ZINC001330802514 935324177 /nfs/dbraw/zinc/32/41/77/935324177.db2.gz UZUMPDGWJCCXPA-GFCCVEGCSA-N 0 3 298.814 3.083 20 30 CGEDHN C=CCC[C@@H](NCc1cccnc1OCC)[C@@H]1CCCO1 ZINC001330830514 935327706 /nfs/dbraw/zinc/32/77/06/935327706.db2.gz PLYVRSLDKLBCMP-CVEARBPZSA-N 0 3 290.407 3.084 20 30 CGEDHN Nc1ccc2c(c1)C(=NNC1CCSCC1)CCCC2 ZINC001331991271 935431998 /nfs/dbraw/zinc/43/19/98/935431998.db2.gz HBPSSCYOJBYROH-UHFFFAOYSA-N 0 3 289.448 3.185 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(Cl)o1)C(C)C ZINC001332687847 935480861 /nfs/dbraw/zinc/48/08/61/935480861.db2.gz FQAWWNLHIRJIAG-UHFFFAOYSA-N 0 3 298.814 3.292 20 30 CGEDHN Cc1cnc2ccccc2c1NCc1ccc(C#N)cc1 ZINC001332943813 935498641 /nfs/dbraw/zinc/49/86/41/935498641.db2.gz AKYNLGDIBSGJKS-UHFFFAOYSA-N 0 3 273.339 3.449 20 30 CGEDHN C=C[C@H](CC)CC(=O)Nc1cccc(CN(C)C)c1 ZINC001333156578 935514920 /nfs/dbraw/zinc/51/49/20/935514920.db2.gz AYCWOCCENAPLGD-CYBMUJFWSA-N 0 3 260.381 3.289 20 30 CGEDHN C=C(Br)CN[C@H](C)CSCCC ZINC001333711009 936058604 /nfs/dbraw/zinc/05/86/04/936058604.db2.gz NEVZYFFFSRCRNM-SECBINFHSA-N 0 3 252.221 3.016 20 30 CGEDHN C=CCOc1cccc(CN[C@H](C)c2ccc[nH]2)c1 ZINC001474100042 937840219 /nfs/dbraw/zinc/84/02/19/937840219.db2.gz IVMJIHDWPDSWBW-CYBMUJFWSA-N 0 3 256.349 3.430 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(Cl)c(C)c1Cl ZINC001474129439 937841405 /nfs/dbraw/zinc/84/14/05/937841405.db2.gz GYNUANSPKPFVDV-LLVKDONJSA-N 0 3 274.191 3.328 20 30 CGEDHN C#Cc1cccc(CNCc2ccc(C)c(F)c2)c1 ZINC001474178518 937842848 /nfs/dbraw/zinc/84/28/48/937842848.db2.gz IJTAZPFHROYIKO-UHFFFAOYSA-N 0 3 253.320 3.405 20 30 CGEDHN C=CCCCCCCCNC(=O)NC[C@H]1CCCCN1C ZINC001478773378 937910661 /nfs/dbraw/zinc/91/06/61/937910661.db2.gz DFMIPAXKZPEBPN-MRXNPFEDSA-N 0 3 295.471 3.297 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C=C(C)C ZINC001479510401 937921843 /nfs/dbraw/zinc/92/18/43/937921843.db2.gz FGWOKCGMYVBUTN-UKRRQHHQSA-N 0 3 298.858 3.312 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001480743234 937943099 /nfs/dbraw/zinc/94/30/99/937943099.db2.gz XNGMPCUKCNAXAZ-DLBZAZTESA-N 0 3 292.467 3.005 20 30 CGEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCCCCC(C)C)C1 ZINC001480737206 937943132 /nfs/dbraw/zinc/94/31/32/937943132.db2.gz NSVZSMCVDIADFD-KRWDZBQOSA-N 0 3 292.467 3.149 20 30 CGEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(CC=C(C)C)C1 ZINC001494324231 937954363 /nfs/dbraw/zinc/95/43/63/937954363.db2.gz CRKDBGMUACRRIW-CVEARBPZSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](CC)CCCC)C1 ZINC001494800212 937956270 /nfs/dbraw/zinc/95/62/70/937956270.db2.gz BROXEFIVVSPSDA-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001496384678 937962272 /nfs/dbraw/zinc/96/22/72/937962272.db2.gz AHLCFLFLSFAPTL-FQNOHDAGSA-N 0 3 298.858 3.456 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccccc1CC ZINC001499047532 937972282 /nfs/dbraw/zinc/97/22/82/937972282.db2.gz JLORGBZVMMUOML-INIZCTEOSA-N 0 3 286.419 3.019 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](C=C)c1ccccc1 ZINC001499123838 937972537 /nfs/dbraw/zinc/97/25/37/937972537.db2.gz CXWHRIFISHIRSD-AEFFLSMTSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001499111810 937972549 /nfs/dbraw/zinc/97/25/49/937972549.db2.gz ISAKVLCCUJCMLZ-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1oc(C)cc1C ZINC001506916236 937992625 /nfs/dbraw/zinc/99/26/25/937992625.db2.gz FXSHEILSKMBURZ-GFCCVEGCSA-N 0 3 298.814 3.137 20 30 CGEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1ccsc1 ZINC001507113063 937994339 /nfs/dbraw/zinc/99/43/39/937994339.db2.gz MSDVSQCXSCABKZ-UONOGXRCSA-N 0 3 294.464 3.287 20 30 CGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1CCCN(CC(=C)C)[C@H]1C ZINC001507381643 937995641 /nfs/dbraw/zinc/99/56/41/937995641.db2.gz JUENCULYWASLSX-KCKALFRLSA-N 0 3 276.424 3.054 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCF)[C@@H]2C)CCC1 ZINC001507386338 937995798 /nfs/dbraw/zinc/99/57/98/937995798.db2.gz UZOQQPRZBNJAGQ-HUUCEWRRSA-N 0 3 296.430 3.062 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001515835225 938007502 /nfs/dbraw/zinc/00/75/02/938007502.db2.gz GNHPCVFGFARVOF-RBSFLKMASA-N 0 3 285.391 3.203 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CCCC1(C)C ZINC001526588134 938056487 /nfs/dbraw/zinc/05/64/87/938056487.db2.gz WOYCWCXFOVHQJP-ZJUUUORDSA-N 0 3 279.771 3.076 20 30 CGEDHN C=CCC1(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCCC1 ZINC001543946267 938142517 /nfs/dbraw/zinc/14/25/17/938142517.db2.gz VYAQXRFHJFERGW-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)C1CCCC1 ZINC001556467116 938203990 /nfs/dbraw/zinc/20/39/90/938203990.db2.gz ZWSWVFHXWRPNFA-UHFFFAOYSA-N 0 3 280.456 3.169 20 30 CGEDHN C#CC(C)(C)N(C)CCc1c(F)cccc1Cl ZINC001559746912 938234185 /nfs/dbraw/zinc/23/41/85/938234185.db2.gz NHCZQDWDFOLZCP-UHFFFAOYSA-N 0 3 253.748 3.365 20 30 CGEDHN C#C[C@H]1CCCCN1Cc1ccc2cnccc2c1 ZINC001560210187 938247199 /nfs/dbraw/zinc/24/71/99/938247199.db2.gz NTDGJFZPVQWWGJ-KRWDZBQOSA-N 0 3 250.345 3.223 20 30 CGEDHN C=CCC[C@H](CO)NCc1c(Cl)cccc1CC ZINC001560470896 938259628 /nfs/dbraw/zinc/25/96/28/938259628.db2.gz AINXWDKYBITAEO-CYBMUJFWSA-N 0 3 267.800 3.319 20 30 CGEDHN C#C[C@H](NCc1cc(F)cc(OCC)c1)C(C)(C)C ZINC001560862725 938280323 /nfs/dbraw/zinc/28/03/23/938280323.db2.gz BISJYCIAEVZWKW-HNNXBMFYSA-N 0 3 263.356 3.362 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](CC)CCCC)C1 ZINC001569630359 960453143 /nfs/dbraw/zinc/45/31/43/960453143.db2.gz YBQDUVBWAPNOER-WBVHZDCISA-N 0 3 280.456 3.360 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)NC1CC2(CSC2)C1 ZINC001577430032 960477042 /nfs/dbraw/zinc/47/70/42/960477042.db2.gz JWQWAYIMUCVDAZ-CQSZACIVSA-N 0 3 298.496 3.076 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1CC ZINC001577426577 960479439 /nfs/dbraw/zinc/47/94/39/960479439.db2.gz SBJSYYUHLJFDNU-XHSDSOJGSA-N 0 3 298.471 3.090 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2CCCC(C)C)C1 ZINC001565827096 960579388 /nfs/dbraw/zinc/57/93/88/960579388.db2.gz YFGGOANZVDDJDA-MRXNPFEDSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H](CC)CCCC)[C@H]1C ZINC001566098581 960876533 /nfs/dbraw/zinc/87/65/33/960876533.db2.gz REIKZPGYNPOQON-OAGGEKHMSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001566751031 961000924 /nfs/dbraw/zinc/00/09/24/961000924.db2.gz UYLMZSNASRYJMY-WCVJEAGWSA-N 0 3 290.451 3.062 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001566750754 961006798 /nfs/dbraw/zinc/00/67/98/961006798.db2.gz QNIPZSHUVKXWPU-VQHPVUNQSA-N 0 3 292.467 3.453 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ccsc2)CC1 ZINC001569414414 961764390 /nfs/dbraw/zinc/76/43/90/961764390.db2.gz LJHHSPNJSAMIJR-CYBMUJFWSA-N 0 3 292.448 3.089 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC(C)C ZINC001569448942 961770875 /nfs/dbraw/zinc/77/08/75/961770875.db2.gz NQFOGDGDVUKZEO-ZACQAIPSSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001569651297 961806647 /nfs/dbraw/zinc/80/66/47/961806647.db2.gz OPZRDQZRYJJWGR-RDJZCZTQSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001570395605 961964133 /nfs/dbraw/zinc/96/41/33/961964133.db2.gz MMPYEUZXEPQFTG-OAHLLOKOSA-N 0 3 278.440 3.136 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CN(CC=C(C)C)CC1(C)C ZINC001570902172 962105532 /nfs/dbraw/zinc/10/55/32/962105532.db2.gz MUNPPMHLBBFAHY-HOTGVXAUSA-N 0 3 292.467 3.382 20 30 CGEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@H]1CCC ZINC001574908090 962332397 /nfs/dbraw/zinc/33/23/97/962332397.db2.gz CUCYWYMOAHMBNK-OAGGEKHMSA-N 0 3 280.456 3.393 20 30 CGEDHN C=CCC1(CNC(=O)[C@@H](N)CCC(C)C)CCCC1 ZINC001574897588 962332790 /nfs/dbraw/zinc/33/27/90/962332790.db2.gz QZKOSJZKWHAVCU-AWEZNQCLSA-N 0 3 266.429 3.003 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC)c1ccc(C)c(F)c1 ZINC001574908227 962335935 /nfs/dbraw/zinc/33/59/35/962335935.db2.gz IWKYKEYKIZROQA-HZPDHXFCSA-N 0 3 292.398 3.385 20 30 CGEDHN CCSCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000337406763 214060305 /nfs/dbraw/zinc/06/03/05/214060305.db2.gz LZBFLLYWHMBOAK-NSHDSACASA-N 0 3 266.385 3.491 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCC1(F)F ZINC000589921255 346817520 /nfs/dbraw/zinc/81/75/20/346817520.db2.gz JNRJARXNTAQODJ-UONOGXRCSA-N 0 3 292.329 3.063 20 30 CGEDHN N#CCCC[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000590122456 346828588 /nfs/dbraw/zinc/82/85/88/346828588.db2.gz AFCSUZTXILLZPN-GOSISDBHSA-N 0 3 290.370 3.478 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2noc3c2CCCC3)C1 ZINC000651813096 398291386 /nfs/dbraw/zinc/29/13/86/398291386.db2.gz WUSRXDMSUYOFTR-STQMWFEESA-N 0 3 260.381 3.388 20 30 CGEDHN CCN(C(=O)C(C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000337975218 214338420 /nfs/dbraw/zinc/33/84/20/214338420.db2.gz KMGBRSQRUBAYDG-SECBINFHSA-N 0 3 270.254 3.110 20 30 CGEDHN CCC(CC)CN(CCC#N)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000345326822 282161524 /nfs/dbraw/zinc/16/15/24/282161524.db2.gz VYOBJGVHYLOVFL-HUUCEWRRSA-N 0 3 293.455 3.038 20 30 CGEDHN CC[C@@H](C)N1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000590726026 346869669 /nfs/dbraw/zinc/86/96/69/346869669.db2.gz OECXYYPPKLIKRF-CQSZACIVSA-N 0 3 294.402 3.027 20 30 CGEDHN C=C[C@H](C)N[C@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652159640 398326268 /nfs/dbraw/zinc/32/62/68/398326268.db2.gz CQHPFRVKQBLMSH-WCQYABFASA-N 0 3 279.380 3.328 20 30 CGEDHN Cc1cc(C2CCN(C)CC2)nc2ccc(C#N)cc12 ZINC000591324971 346915382 /nfs/dbraw/zinc/91/53/82/346915382.db2.gz AWZGFDCOXMYEMH-UHFFFAOYSA-N 0 3 265.360 3.224 20 30 CGEDHN CC(C)(C)C[C@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000592500541 346993500 /nfs/dbraw/zinc/99/35/00/346993500.db2.gz VFJITRJWCDXPCI-OAHLLOKOSA-N 0 3 297.406 3.002 20 30 CGEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)CC(F)F ZINC000592825937 347018031 /nfs/dbraw/zinc/01/80/31/347018031.db2.gz LVOYFLYBOXBKKQ-JSGCOSHPSA-N 0 3 294.345 3.166 20 30 CGEDHN C[C@@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000593183359 347049061 /nfs/dbraw/zinc/04/90/61/347049061.db2.gz UXJWFRDYHBXDOS-STQMWFEESA-N 0 3 258.365 3.024 20 30 CGEDHN COc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1OC ZINC000088249693 260229659 /nfs/dbraw/zinc/22/96/59/260229659.db2.gz XHFWBBKDBXMIPZ-GFCCVEGCSA-N 0 3 274.364 3.048 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000037748490 344952606 /nfs/dbraw/zinc/95/26/06/344952606.db2.gz ROWAGBNKTLBGGB-CYBMUJFWSA-N 0 3 261.328 3.281 20 30 CGEDHN Cc1cc(C(C#N)C(=O)c2cccc(Cl)c2)nc(C)n1 ZINC000041574328 344971485 /nfs/dbraw/zinc/97/14/85/344971485.db2.gz UMQLUMCKDHXTRE-ZDUSSCGKSA-N 0 3 285.734 3.237 20 30 CGEDHN Cc1ccsc1CN(C)CCOc1cccc(C#N)c1 ZINC000051233688 345088538 /nfs/dbraw/zinc/08/85/38/345088538.db2.gz WDLKXDHWLBJCCN-UHFFFAOYSA-N 0 3 286.400 3.439 20 30 CGEDHN C=CCN(CC=C)C(=O)CN([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000060562574 345219109 /nfs/dbraw/zinc/21/91/09/345219109.db2.gz PPKNWBSFMMVOOI-GJZGRUSLSA-N 0 3 278.440 3.086 20 30 CGEDHN C=CCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401162 345321154 /nfs/dbraw/zinc/32/11/54/345321154.db2.gz MKQMLOGTXJABNI-HNNXBMFYSA-N 0 3 265.784 3.271 20 30 CGEDHN N#CCCCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066898895 345309645 /nfs/dbraw/zinc/30/96/45/345309645.db2.gz QFSZRJSYJBQRGF-HNNXBMFYSA-N 0 3 286.375 3.289 20 30 CGEDHN C[C@H]1CCCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075744556 345520928 /nfs/dbraw/zinc/52/09/28/345520928.db2.gz CCTOLIHIDILALS-ZDUSSCGKSA-N 0 3 296.374 3.373 20 30 CGEDHN CCO[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000076403433 345541714 /nfs/dbraw/zinc/54/17/14/345541714.db2.gz QEPZXZDFYFCMEU-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2ccccc2O)CC1 ZINC000091508066 345817273 /nfs/dbraw/zinc/81/72/73/345817273.db2.gz BORNSXGNSKPRKZ-OAHLLOKOSA-N 0 3 274.408 3.259 20 30 CGEDHN C=CCCC[C@H](C)N1CCN(Cc2c(C)noc2C)CC1 ZINC000091514216 345818014 /nfs/dbraw/zinc/81/80/14/345818014.db2.gz DSISVQDRXOQIHU-AWEZNQCLSA-N 0 3 291.439 3.154 20 30 CGEDHN Cc1ccoc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000091792514 345824395 /nfs/dbraw/zinc/82/43/95/345824395.db2.gz AAHFSZVXKYOGHN-UHFFFAOYSA-N 0 3 295.386 3.172 20 30 CGEDHN N#Cc1ccncc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000094131905 345895866 /nfs/dbraw/zinc/89/58/66/345895866.db2.gz ZPZXYALFLWJTJG-HNNXBMFYSA-N 0 3 298.415 3.264 20 30 CGEDHN CCN1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC000098191664 345910802 /nfs/dbraw/zinc/91/08/02/345910802.db2.gz YCISWYZLJNVABI-UHFFFAOYSA-N 0 3 293.208 3.326 20 30 CGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@@H](C)C#N)CC3 ZINC000133041047 346074842 /nfs/dbraw/zinc/07/48/42/346074842.db2.gz JWQAYHBWNWGZDC-STQMWFEESA-N 0 3 267.376 3.083 20 30 CGEDHN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000155423618 346153309 /nfs/dbraw/zinc/15/33/09/346153309.db2.gz MKJMFNKAWRLCQY-ZSEKCTLFSA-N 0 3 298.411 3.146 20 30 CGEDHN COc1ccc(OC)c([C@H](C)NCCCSCC#N)c1 ZINC000174112335 346238396 /nfs/dbraw/zinc/23/83/96/346238396.db2.gz FJZYULYJGBECDQ-LBPRGKRZSA-N 0 3 294.420 3.001 20 30 CGEDHN Cc1cnccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000228654755 346314878 /nfs/dbraw/zinc/31/48/78/346314878.db2.gz YNYOOWASODWSAW-CYBMUJFWSA-N 0 3 251.333 3.113 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000593589702 347092705 /nfs/dbraw/zinc/09/27/05/347092705.db2.gz UQTXRHFXZUFXHT-JSGCOSHPSA-N 0 3 260.337 3.429 20 30 CGEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000320644078 346488699 /nfs/dbraw/zinc/48/86/99/346488699.db2.gz IOUXINYUCGTVOX-CHWSQXEVSA-N 0 3 288.391 3.187 20 30 CGEDHN N#CC1(CNC[C@@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000593653033 347099079 /nfs/dbraw/zinc/09/90/79/347099079.db2.gz YCUXYTKIFGMREC-HOTGVXAUSA-N 0 3 254.377 3.464 20 30 CGEDHN N#CC1(CN[C@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000405090119 346602754 /nfs/dbraw/zinc/60/27/54/346602754.db2.gz PRJRQUYBMXPWTI-SFHVURJKSA-N 0 3 297.446 3.325 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCO[C@H](C)C1 ZINC000491147434 346627376 /nfs/dbraw/zinc/62/73/76/346627376.db2.gz RLHIMFNMTQKFHH-ZBFHGGJFSA-N 0 3 275.367 3.076 20 30 CGEDHN CCCCCCCCCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000584649961 346704523 /nfs/dbraw/zinc/70/45/23/346704523.db2.gz ICQMVFSCRKNRHU-MRXNPFEDSA-N 0 3 297.487 3.473 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]2OCC)cc1Cl ZINC000582101384 346677496 /nfs/dbraw/zinc/67/74/96/346677496.db2.gz NPJGVVLGEHMLDZ-UKRRQHHQSA-N 0 3 281.783 3.172 20 30 CGEDHN N#C[C@H](c1ccc(Cl)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000585717922 346727260 /nfs/dbraw/zinc/72/72/60/346727260.db2.gz XCLZBLGMOKHSJB-JKSUJKDBSA-N 0 3 289.810 3.075 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)CCCCCC#N)cc1 ZINC000588274573 346758335 /nfs/dbraw/zinc/75/83/35/346758335.db2.gz RHUAXZOFHREANL-UHFFFAOYSA-N 0 3 273.380 3.161 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)CC)C(C)C ZINC000588705352 346766402 /nfs/dbraw/zinc/76/64/02/346766402.db2.gz ZXPQKRWHKDEPEV-HNNXBMFYSA-N 0 3 280.456 3.237 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC1CC2(CCC2)C1 ZINC000593882563 347118580 /nfs/dbraw/zinc/11/85/80/347118580.db2.gz RCENOSXIRMMSSO-OAHLLOKOSA-N 0 3 282.387 3.208 20 30 CGEDHN C[C@H](NCc1nc(C#N)cs1)C1CCC(F)(F)CC1 ZINC000594043788 347143543 /nfs/dbraw/zinc/14/35/43/347143543.db2.gz OSBLCVAMMQFNKD-VIFPVBQESA-N 0 3 285.363 3.318 20 30 CGEDHN N#Cc1cnccc1CN1CCC[C@H]1CC1CCCC1 ZINC000594053392 347146326 /nfs/dbraw/zinc/14/63/26/347146326.db2.gz PAAOMSYPHWRVNH-KRWDZBQOSA-N 0 3 269.392 3.498 20 30 CGEDHN C[C@@H](CCC#N)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000594059753 347146748 /nfs/dbraw/zinc/14/67/48/347146748.db2.gz ZZENMGQZJAIHRK-KBPBESRZSA-N 0 3 250.386 3.102 20 30 CGEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594508099 347182262 /nfs/dbraw/zinc/18/22/62/347182262.db2.gz ATRNYPTZORZHRJ-GJZGRUSLSA-N 0 3 276.405 3.057 20 30 CGEDHN Cc1nn(-c2ccccc2F)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000594511764 347183065 /nfs/dbraw/zinc/18/30/65/347183065.db2.gz OIEYPUIUWXZGDN-DZGCQCFKSA-N 0 3 298.365 3.102 20 30 CGEDHN N#Cc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594915659 347228917 /nfs/dbraw/zinc/22/89/17/347228917.db2.gz VRNCVTVOJDGKOP-UHFFFAOYSA-N 0 3 287.366 3.403 20 30 CGEDHN Cc1cc(CNC[C@H](O)[C@H](C)c2ccccc2)ccc1C#N ZINC000595000541 347253066 /nfs/dbraw/zinc/25/30/66/347253066.db2.gz LAWROXLRYUVTGD-BEFAXECRSA-N 0 3 294.398 3.121 20 30 CGEDHN CC[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CO1 ZINC000594959074 347240947 /nfs/dbraw/zinc/24/09/47/347240947.db2.gz RZQXJEKWTNUJNG-OAGGEKHMSA-N 0 3 258.365 3.189 20 30 CGEDHN N#Cc1cccc(C2(NCc3cccs3)CCOCC2)c1 ZINC000594983189 347248337 /nfs/dbraw/zinc/24/83/37/347248337.db2.gz HBPRJEIXDHOOOX-UHFFFAOYSA-N 0 3 298.411 3.415 20 30 CGEDHN C[C@H]1CCC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594986159 347249689 /nfs/dbraw/zinc/24/96/89/347249689.db2.gz SNCJULWENZCSGR-WMLDXEAASA-N 0 3 284.403 3.289 20 30 CGEDHN COc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1C ZINC000595101012 347284489 /nfs/dbraw/zinc/28/44/89/347284489.db2.gz AFBTVCSEXGHZGF-HIFRSBDPSA-N 0 3 258.365 3.176 20 30 CGEDHN CCCN(Cc1ccc(C#N)cc1)[C@H]1COC(C)(C)C1 ZINC000595292156 347287632 /nfs/dbraw/zinc/28/76/32/347287632.db2.gz ZRIOVNYEVIQAOW-MRXNPFEDSA-N 0 3 272.392 3.338 20 30 CGEDHN C=CC[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019432 347258695 /nfs/dbraw/zinc/25/86/95/347258695.db2.gz NFUGOPWUMHXUHZ-WDEREUQCSA-N 0 3 264.325 3.219 20 30 CGEDHN C=CC[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019429 347258983 /nfs/dbraw/zinc/25/89/83/347258983.db2.gz NFUGOPWUMHXUHZ-GHMZBOCLSA-N 0 3 264.325 3.219 20 30 CGEDHN COC[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1 ZINC000595055458 347271226 /nfs/dbraw/zinc/27/12/26/347271226.db2.gz DXWPRVRBUHLHOO-GOSISDBHSA-N 0 3 280.371 3.078 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cnc(C)s1 ZINC000595059455 347273955 /nfs/dbraw/zinc/27/39/55/347273955.db2.gz OTLFAODBCSZOIA-SNVBAGLBSA-N 0 3 256.440 3.411 20 30 CGEDHN C[C@H](NC[C@]1(C)CC1(F)F)c1ccc(C#N)cc1F ZINC000595081837 347279609 /nfs/dbraw/zinc/27/96/09/347279609.db2.gz SHLSOUNHJQEISB-ZANVPECISA-N 0 3 268.282 3.393 20 30 CGEDHN CC1(C)[C@H](NCC2(C#N)CCCCC2)[C@H]2CCCO[C@H]21 ZINC000595091267 347281068 /nfs/dbraw/zinc/28/10/68/347281068.db2.gz OYLLHNXVRXQRTF-RBSFLKMASA-N 0 3 276.424 3.254 20 30 CGEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC000595092118 347281271 /nfs/dbraw/zinc/28/12/71/347281271.db2.gz XGKFLGMJPBPGLO-GJZGRUSLSA-N 0 3 276.424 3.398 20 30 CGEDHN CC1(C)[C@H](NCC2(C#N)CCCCC2)[C@@H]2CCCO[C@H]21 ZINC000595091268 347281432 /nfs/dbraw/zinc/28/14/32/347281432.db2.gz OYLLHNXVRXQRTF-RRFJBIMHSA-N 0 3 276.424 3.254 20 30 CGEDHN COc1cccc(C2(N[C@H]3CC[C@@H](C#N)C3)CCC2)c1 ZINC000595093519 347281728 /nfs/dbraw/zinc/28/17/28/347281728.db2.gz KTGJRTFAFWSRDX-HIFRSBDPSA-N 0 3 270.376 3.356 20 30 CGEDHN CC1(C)[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1(F)F ZINC000595095018 347281903 /nfs/dbraw/zinc/28/19/03/347281903.db2.gz SWUNFOSSXSXNDJ-KGLIPLIRSA-N 0 3 276.330 3.426 20 30 CGEDHN COc1cccc([C@@H](C)N2CCC[C@H](CC#N)C2)c1 ZINC000595615417 347327115 /nfs/dbraw/zinc/32/71/15/347327115.db2.gz QTBNUHAAHKPVJJ-ZIAGYGMSSA-N 0 3 258.365 3.382 20 30 CGEDHN COc1cncc(/C=C/CCN2CCC[C@H](CC#N)C2)c1 ZINC000595622392 347329625 /nfs/dbraw/zinc/32/96/25/347329625.db2.gz ABZVGEMHTUWVPA-FIMWJMCYSA-N 0 3 285.391 3.119 20 30 CGEDHN CCC(C)(C)[C@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000595640040 347331996 /nfs/dbraw/zinc/33/19/96/347331996.db2.gz ZTVMPCKVYAQXJP-LBPRGKRZSA-N 0 3 291.395 3.121 20 30 CGEDHN CCC(C)(C)[C@H](C)[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000595640040 347331997 /nfs/dbraw/zinc/33/19/97/347331997.db2.gz ZTVMPCKVYAQXJP-LBPRGKRZSA-N 0 3 291.395 3.121 20 30 CGEDHN Cc1ccc2c(c1)CN(CCCSCC#N)CC2 ZINC000595659260 347334498 /nfs/dbraw/zinc/33/44/98/347334498.db2.gz ZLHBVPDZOSXHPJ-UHFFFAOYSA-N 0 3 260.406 3.000 20 30 CGEDHN COC[C@@H](NCCCC(C)(C)C#N)c1cccc(OC)c1 ZINC000595685393 347337139 /nfs/dbraw/zinc/33/71/39/347337139.db2.gz XRSMNRHLVAUENJ-MRXNPFEDSA-N 0 3 290.407 3.302 20 30 CGEDHN COc1cc(C#N)ccc1CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595708547 347343357 /nfs/dbraw/zinc/34/33/57/347343357.db2.gz TYYLKMIRTKLIEE-SCLBCKFNSA-N 0 3 292.382 3.385 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](C3CCCCC3)C2)nc1 ZINC000595739741 347348374 /nfs/dbraw/zinc/34/83/74/347348374.db2.gz QHZVQFFXSWCPES-INIZCTEOSA-N 0 3 269.392 3.355 20 30 CGEDHN N#CCC[C@@H](C#N)CN1CC[C@@H](C2CCCCC2)C1 ZINC000595733865 347348605 /nfs/dbraw/zinc/34/86/05/347348605.db2.gz KGBWOYZLNSXHDF-GOEBONIOSA-N 0 3 259.397 3.332 20 30 CGEDHN CN(CCCN(C)[C@@H](C#N)c1ccccc1)Cc1ccco1 ZINC000595483785 347309808 /nfs/dbraw/zinc/30/98/08/347309808.db2.gz MCUYHMHUEKMFAG-SFHVURJKSA-N 0 3 297.402 3.298 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCOc1ccccc1[N+](=O)[O-] ZINC000595844906 347367368 /nfs/dbraw/zinc/36/73/68/347367368.db2.gz HHOCHCLLEVINRV-OKILXGFUSA-N 0 3 288.347 3.157 20 30 CGEDHN Cc1cc(CN)cc(NC(=O)CC2(C#N)CCCCC2)c1 ZINC000595935710 347373325 /nfs/dbraw/zinc/37/33/25/347373325.db2.gz KMRPBXLUBKBEGV-UHFFFAOYSA-N 0 3 285.391 3.256 20 30 CGEDHN C=CCN(Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597083198 347534626 /nfs/dbraw/zinc/53/46/26/347534626.db2.gz PNLSGRJAJXBEFX-UHFFFAOYSA-N 0 3 252.361 3.392 20 30 CGEDHN N#CCC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597082694 347534811 /nfs/dbraw/zinc/53/48/11/347534811.db2.gz OHVGVWYZPIQRAA-UHFFFAOYSA-N 0 3 279.387 3.367 20 30 CGEDHN CC[C@H](Cc1ccc(Cl)cc1)NC[C@@H](C)C#N ZINC000597082467 347534983 /nfs/dbraw/zinc/53/49/83/347534983.db2.gz KONLHFKTXKRWKN-SMDDNHRTSA-N 0 3 250.773 3.410 20 30 CGEDHN CC(C)O[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597154517 347541271 /nfs/dbraw/zinc/54/12/71/347541271.db2.gz OZLALTOPDLSFEU-QGZVFWFLSA-N 0 3 284.403 3.241 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000597224320 347556578 /nfs/dbraw/zinc/55/65/78/347556578.db2.gz FOAKFOSRXVTBSY-CABCVRRESA-N 0 3 284.403 3.241 20 30 CGEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)C(F)(F)F ZINC000597758190 347590994 /nfs/dbraw/zinc/59/09/94/347590994.db2.gz RWGOJXGAWVHXFU-GFCCVEGCSA-N 0 3 298.308 3.216 20 30 CGEDHN CC(C)[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000598381580 347652175 /nfs/dbraw/zinc/65/21/75/347652175.db2.gz OWVUDBDCSGOKOM-DLBZAZTESA-N 0 3 284.403 3.310 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000597945405 347607913 /nfs/dbraw/zinc/60/79/13/347607913.db2.gz ROIOETUVVABPDZ-BLLLJJGKSA-N 0 3 290.794 3.423 20 30 CGEDHN C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1cccc(C#N)c1 ZINC000599060179 347712578 /nfs/dbraw/zinc/71/25/78/347712578.db2.gz UKRGNBPSVNLASK-KUHUBIRLSA-N 0 3 292.382 3.350 20 30 CGEDHN CC[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc(C#N)cc1 ZINC000599086075 347715711 /nfs/dbraw/zinc/71/57/11/347715711.db2.gz YGBLRYZTEAQGMV-YESZJQIVSA-N 0 3 270.376 3.166 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1cccc(F)c1 ZINC000598585231 347667046 /nfs/dbraw/zinc/66/70/46/347667046.db2.gz AKWGJHKNLKBIAQ-HOTGVXAUSA-N 0 3 290.382 3.263 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CCCCC[C@@H]1c1ccco1 ZINC000598592799 347668508 /nfs/dbraw/zinc/66/85/08/347668508.db2.gz NGZGCFBVWOUUCL-LSDHHAIUSA-N 0 3 290.407 3.497 20 30 CGEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2ccc(F)cc2)CCC1 ZINC000598597262 347669362 /nfs/dbraw/zinc/66/93/62/347669362.db2.gz YULIYAJASMRJAL-OAHLLOKOSA-N 0 3 290.382 3.095 20 30 CGEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1Cl ZINC000598600168 347669941 /nfs/dbraw/zinc/66/99/41/347669941.db2.gz HBRZRLWMRZEAFZ-CMPLNLGQSA-N 0 3 298.789 3.430 20 30 CGEDHN CC1=C(c2ccco2)CN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598616845 347671312 /nfs/dbraw/zinc/67/13/12/347671312.db2.gz ZKBOXOFLIMBAFO-AWEZNQCLSA-N 0 3 288.391 3.060 20 30 CGEDHN Cc1cccc(CCN2CCc3c(CC#N)cccc3C2)n1 ZINC000599677940 347764730 /nfs/dbraw/zinc/76/47/30/347764730.db2.gz NIYIHUYARLMFOF-UHFFFAOYSA-N 0 3 291.398 3.057 20 30 CGEDHN Cc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1C#N ZINC000599299519 347733352 /nfs/dbraw/zinc/73/33/52/347733352.db2.gz GHQCXFBHAWDRCK-BETUJISGSA-N 0 3 260.406 3.193 20 30 CGEDHN Cc1ccc(CN2CCC(C(F)F)CC2)cc1C#N ZINC000599318614 347735493 /nfs/dbraw/zinc/73/54/93/347735493.db2.gz JXXVDCBZIIRZOI-UHFFFAOYSA-N 0 3 264.319 3.344 20 30 CGEDHN CC1(C)CN(C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000599329635 347736229 /nfs/dbraw/zinc/73/62/29/347736229.db2.gz AWODYMZELYCPQJ-CVEARBPZSA-N 0 3 284.403 3.124 20 30 CGEDHN Cc1ccc(CN(CCO)Cc2ccc(C)c(C#N)c2)cc1 ZINC000599362534 347739664 /nfs/dbraw/zinc/73/96/64/347739664.db2.gz OZPGQCPPEQVXRW-UHFFFAOYSA-N 0 3 294.398 3.170 20 30 CGEDHN CO[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)CC1(C)C ZINC000599433173 347744826 /nfs/dbraw/zinc/74/48/26/347744826.db2.gz CKTGAAHHIPUPAI-MRXNPFEDSA-N 0 3 272.392 3.114 20 30 CGEDHN CCO[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599440366 347745313 /nfs/dbraw/zinc/74/53/13/347745313.db2.gz QLUVMNDFUJMGTH-SUMWQHHRSA-N 0 3 272.392 3.366 20 30 CGEDHN Cc1ccc(CN2CCC[C@H](CCF)C2)cc1C#N ZINC000599471048 347747569 /nfs/dbraw/zinc/74/75/69/347747569.db2.gz XSORZQVEDOJXJR-CQSZACIVSA-N 0 3 260.356 3.438 20 30 CGEDHN C[C@@H]1CC(F)(F)CCN1CCc1ccc(C#N)cc1 ZINC000599628446 347759739 /nfs/dbraw/zinc/75/97/39/347759739.db2.gz UEJNOHZEXFPSPW-GFCCVEGCSA-N 0 3 264.319 3.220 20 30 CGEDHN CSC1(CN2CCc3c(CC#N)cccc3C2)CC1 ZINC000600213368 347794271 /nfs/dbraw/zinc/79/42/71/347794271.db2.gz VAOQKUYOHJOGBU-UHFFFAOYSA-N 0 3 272.417 3.006 20 30 CGEDHN C[C@H](C#N)n1cc(-c2cc(CN3CCCC3)ccc2F)cn1 ZINC000600775936 347833975 /nfs/dbraw/zinc/83/39/75/347833975.db2.gz DQYGSHJOOBGYDO-CYBMUJFWSA-N 0 3 298.365 3.370 20 30 CGEDHN C[C@H]1C[C@@H](c2ccc(-c3ccc([O-])c(C#N)c3)cc2)C[NH2+]1 ZINC000600779590 347834455 /nfs/dbraw/zinc/83/44/55/347834455.db2.gz GUPKVJHTOAHENO-YVEFUNNKSA-N 0 3 278.355 3.396 20 30 CGEDHN Cc1ccc(-c2cccc([C@@H]3CNCCO3)c2)cc1C#N ZINC000600793960 347837497 /nfs/dbraw/zinc/83/74/97/347837497.db2.gz QJBNEIZLMKQXIL-SFHVURJKSA-N 0 3 278.355 3.195 20 30 CGEDHN N#Cc1c(F)cccc1CNCCCc1cccs1 ZINC000602015560 347933259 /nfs/dbraw/zinc/93/32/59/347933259.db2.gz MVNYUXXOFJPEFT-UHFFFAOYSA-N 0 3 274.364 3.481 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCOC2(CCC2)C1 ZINC000602018820 347933451 /nfs/dbraw/zinc/93/34/51/347933451.db2.gz AFZUUHJKVVIWHZ-CYBMUJFWSA-N 0 3 288.366 3.136 20 30 CGEDHN CC1(F)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000601868311 347920733 /nfs/dbraw/zinc/92/07/33/347920733.db2.gz JQUKGACTLGFTER-HNNXBMFYSA-N 0 3 288.366 3.110 20 30 CGEDHN CC[C@H](Cc1ccccc1)N(C)Cc1cccc(C#N)n1 ZINC000602478226 347965777 /nfs/dbraw/zinc/96/57/77/347965777.db2.gz WVMFEOCUPVDOGU-GOSISDBHSA-N 0 3 279.387 3.406 20 30 CGEDHN C[C@H](CCC#N)CN(C)Cc1cc(Cl)cn1C ZINC000602482402 347967276 /nfs/dbraw/zinc/96/72/76/347967276.db2.gz GIMKXSHTSDHIGR-LLVKDONJSA-N 0 3 253.777 3.050 20 30 CGEDHN CC[C@@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602504313 347971412 /nfs/dbraw/zinc/97/14/12/347971412.db2.gz OXRCYCGVHAEWLK-AWEZNQCLSA-N 0 3 265.360 3.237 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602509851 347972794 /nfs/dbraw/zinc/97/27/94/347972794.db2.gz UZERNEYTFLAERM-UHFFFAOYSA-N 0 3 265.360 3.021 20 30 CGEDHN C=C[C@H](C)NCc1ccc(I)s1 ZINC000602567150 347984344 /nfs/dbraw/zinc/98/43/44/347984344.db2.gz IKHWSZYPGMBTBN-ZETCQYMHSA-N 0 3 293.173 3.017 20 30 CGEDHN N#CCC[C@H](NCCC[C@H]1CCO1)c1ccccc1 ZINC000602580209 347987401 /nfs/dbraw/zinc/98/74/01/347987401.db2.gz FJOIJRYQYGKHDY-HOTGVXAUSA-N 0 3 258.365 3.190 20 30 CGEDHN COC[C@H](NC1CCC(C#N)CC1)c1ccc(F)c(F)c1 ZINC000602579760 347987502 /nfs/dbraw/zinc/98/75/02/347987502.db2.gz BZXVIPFIKGKHHX-TZDAIYRESA-N 0 3 294.345 3.324 20 30 CGEDHN CCC[C@H](CN[C@@H](CCC#N)c1ccccc1)OC ZINC000602583589 347988675 /nfs/dbraw/zinc/98/86/75/347988675.db2.gz RUHZCSUCEJOHFT-CVEARBPZSA-N 0 3 260.381 3.436 20 30 CGEDHN N#CC1CCC(N[C@H]2COc3cc(F)cc(F)c32)CC1 ZINC000602609066 347992760 /nfs/dbraw/zinc/99/27/60/347992760.db2.gz QQWMBYWXSCTJIH-OCTTZUBCSA-N 0 3 278.302 3.070 20 30 CGEDHN CO[C@@H](CN[C@H]1CCc2cc(C#N)ccc21)C1CCCC1 ZINC000602640221 347999281 /nfs/dbraw/zinc/99/92/81/347999281.db2.gz KYAOVKIVFJKWSI-ROUUACIJSA-N 0 3 284.403 3.340 20 30 CGEDHN CO[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)CC(C)C ZINC000602640296 347999324 /nfs/dbraw/zinc/99/93/24/347999324.db2.gz MQSMDXNYZYZUJK-DOTOQJQBSA-N 0 3 272.392 3.196 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1CC1(F)F ZINC000602657273 348002901 /nfs/dbraw/zinc/00/29/01/348002901.db2.gz DACAMDFYPPUDKL-KCJUWKMLSA-N 0 3 270.710 3.345 20 30 CGEDHN C[C@H](CCC#N)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000602672926 348005933 /nfs/dbraw/zinc/00/59/33/348005933.db2.gz RXGAGICUHYYULS-HIFRSBDPSA-N 0 3 257.381 3.404 20 30 CGEDHN Cc1cc(CCNCc2cccc(C#N)n2)ccc1Cl ZINC000602676315 348006809 /nfs/dbraw/zinc/00/68/09/348006809.db2.gz MGKKOQKAILXBMZ-UHFFFAOYSA-N 0 3 285.778 3.247 20 30 CGEDHN N#Cc1cccc(CNCC2(c3ccccc3F)CCC2)n1 ZINC000602699223 348012013 /nfs/dbraw/zinc/01/20/13/348012013.db2.gz LBNFORPSUBMNCR-UHFFFAOYSA-N 0 3 295.361 3.304 20 30 CGEDHN C/C=C\C[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602729006 348019454 /nfs/dbraw/zinc/01/94/54/348019454.db2.gz HAAZGRFDSIWLCL-SFAKSCPVSA-N 0 3 255.365 3.131 20 30 CGEDHN CC(C)=CCC[C@H](C)CCN1CCN(CCC#N)CC1 ZINC000602748750 348023248 /nfs/dbraw/zinc/02/32/48/348023248.db2.gz RMCVWTNMSYWHJQ-KRWDZBQOSA-N 0 3 277.456 3.290 20 30 CGEDHN COCCN(CCCc1ccccc1)CC1(CC#N)CC1 ZINC000602770264 348026593 /nfs/dbraw/zinc/02/65/93/348026593.db2.gz XXNJDCDFTCGFOF-UHFFFAOYSA-N 0 3 286.419 3.261 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NC(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000602547540 347980042 /nfs/dbraw/zinc/98/00/42/347980042.db2.gz QHSNQNMEMBYEKJ-BBWFWOEESA-N 0 3 299.418 3.008 20 30 CGEDHN CC[C@](C)(NC[C@H](C)CCC#N)c1nccs1 ZINC000602551349 347980729 /nfs/dbraw/zinc/98/07/29/347980729.db2.gz CHUREPPVUDGYFX-YPMHNXCESA-N 0 3 251.399 3.298 20 30 CGEDHN C[C@H](CNCc1cccc(C#N)n1)c1ccc(F)cc1F ZINC000602560093 347981960 /nfs/dbraw/zinc/98/19/60/347981960.db2.gz HXJGMSOILXTBFD-LLVKDONJSA-N 0 3 287.313 3.125 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H](c3cccnc3)C2)ccc1F ZINC000602857309 348037627 /nfs/dbraw/zinc/03/76/27/348037627.db2.gz UKOXNEJBUAQRGM-MRXNPFEDSA-N 0 3 295.361 3.472 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](c3ccc4cccnc4n3)C2)C1 ZINC000602886212 348041061 /nfs/dbraw/zinc/04/10/61/348041061.db2.gz IIAXBJHKRGHEGT-KBMXLJTQSA-N 0 3 292.386 3.111 20 30 CGEDHN C[C@H](CCC#N)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602892976 348041188 /nfs/dbraw/zinc/04/11/88/348041188.db2.gz AAJGZBRXSRDRSC-CQSZACIVSA-N 0 3 282.391 3.127 20 30 CGEDHN C[C@H](c1cccnc1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911365 348043482 /nfs/dbraw/zinc/04/34/82/348043482.db2.gz YNYYSHJAAAMKEJ-CQSZACIVSA-N 0 3 292.386 3.289 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N(C)Cc1ccccc1 ZINC000606902595 348206847 /nfs/dbraw/zinc/20/68/47/348206847.db2.gz BZJHWWLVPUUNBT-UHFFFAOYSA-N 0 3 288.435 3.323 20 30 CGEDHN N#Cc1ccccc1OCCN1C2CCCC1CCC2 ZINC000610369990 348379819 /nfs/dbraw/zinc/37/98/19/348379819.db2.gz KGUPOJXZSFWPNI-UHFFFAOYSA-N 0 3 270.376 3.344 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610422383 348382388 /nfs/dbraw/zinc/38/23/88/348382388.db2.gz QOHQJDTZNXBZAX-JSGCOSHPSA-N 0 3 281.359 3.034 20 30 CGEDHN CC(C#N)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000609920285 348357951 /nfs/dbraw/zinc/35/79/51/348357951.db2.gz ZEDKMEWHRVXNQT-AWEZNQCLSA-N 0 3 270.376 3.164 20 30 CGEDHN N#Cc1ccc(CN(Cc2ccc(O)cc2)C2CC2)cc1 ZINC000610000941 348359865 /nfs/dbraw/zinc/35/98/65/348359865.db2.gz DMNWSPNKEJGGMU-UHFFFAOYSA-N 0 3 278.355 3.428 20 30 CGEDHN C[C@]1(NCc2ccnc(C#N)c2)CCCc2ccccc21 ZINC000610993274 348415076 /nfs/dbraw/zinc/41/50/76/348415076.db2.gz JGOBBHZAEGIGNB-SFHVURJKSA-N 0 3 277.371 3.295 20 30 CGEDHN CC(C)(C)C[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610992201 348415115 /nfs/dbraw/zinc/41/51/15/348415115.db2.gz KXKZKIXCYPXBDE-OAHLLOKOSA-N 0 3 257.381 3.354 20 30 CGEDHN N#Cc1cc(CN2CC[C@H](c3ccc(F)cc3)C2)ccn1 ZINC000610994516 348416441 /nfs/dbraw/zinc/41/64/41/348416441.db2.gz ITIVZOXCEGEBLE-HNNXBMFYSA-N 0 3 281.334 3.082 20 30 CGEDHN CC(C)CC[C@@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994168 348416450 /nfs/dbraw/zinc/41/64/50/348416450.db2.gz OULMGJRSBOFTDG-INIZCTEOSA-N 0 3 257.381 3.354 20 30 CGEDHN Cc1ccccc1C[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610993523 348416723 /nfs/dbraw/zinc/41/67/23/348416723.db2.gz WKGYLDCBIYYJBP-LJQANCHMSA-N 0 3 291.398 3.469 20 30 CGEDHN COC[C@H](CC(C)C)N[C@H](C)c1cccc(C#N)c1 ZINC000610829786 348405048 /nfs/dbraw/zinc/40/50/48/348405048.db2.gz LEOQABXMVVLXCT-CJNGLKHVSA-N 0 3 260.381 3.270 20 30 CGEDHN C[C@H](NCc1cccc2nccn21)c1cccc(C#N)c1 ZINC000611278561 348434949 /nfs/dbraw/zinc/43/49/49/348434949.db2.gz JSNWSVUQGFSKNS-ZDUSSCGKSA-N 0 3 276.343 3.057 20 30 CGEDHN C[C@@H](c1cccc2ccccc21)N1CCN(CCC#N)CC1 ZINC000611175346 348426220 /nfs/dbraw/zinc/42/62/20/348426220.db2.gz FDKWTNZESZVYPA-INIZCTEOSA-N 0 3 293.414 3.432 20 30 CGEDHN COC(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611386305 348443592 /nfs/dbraw/zinc/44/35/92/348443592.db2.gz LNTPSAVOIYTFDE-ZDUSSCGKSA-N 0 3 294.354 3.196 20 30 CGEDHN CCCCOCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392605 348445126 /nfs/dbraw/zinc/44/51/26/348445126.db2.gz XNKTTWOSEYMDSP-KRWDZBQOSA-N 0 3 272.392 3.342 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCOC1CCCC1 ZINC000611392002 348445297 /nfs/dbraw/zinc/44/52/97/348445297.db2.gz DSQYBBJCWUQSJN-GOSISDBHSA-N 0 3 284.403 3.484 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCOCC1CCC1 ZINC000613242599 348579284 /nfs/dbraw/zinc/57/92/84/348579284.db2.gz LZQGIYAKDRAXRT-SFHVURJKSA-N 0 3 284.403 3.342 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(CCCCC)C(C)C ZINC000613408394 348598117 /nfs/dbraw/zinc/59/81/17/348598117.db2.gz IUDWCGDIBUDMDR-UHFFFAOYSA-N 0 3 268.445 3.312 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(CC)CC(CC)CC ZINC000613423502 348600419 /nfs/dbraw/zinc/60/04/19/348600419.db2.gz QPROHLNNKOMDKG-UHFFFAOYSA-N 0 3 268.445 3.169 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](OCC2CC2)C1 ZINC000614578498 348683806 /nfs/dbraw/zinc/68/38/06/348683806.db2.gz FOZRJYAEPPFETB-SFHVURJKSA-N 0 3 284.403 3.258 20 30 CGEDHN C[C@H](NCCCNc1ccccn1)c1ccc(C#N)cc1F ZINC000358571163 233156575 /nfs/dbraw/zinc/15/65/75/233156575.db2.gz OLMDPUCHFNWHHU-ZDUSSCGKSA-N 0 3 298.365 3.245 20 30 CGEDHN CO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000358567479 233156857 /nfs/dbraw/zinc/15/68/57/233156857.db2.gz CQIZUVXPDRGXAZ-VCTAVGKDSA-N 0 3 276.355 3.161 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618568094 349107293 /nfs/dbraw/zinc/10/72/93/349107293.db2.gz NDPJYXASVSETIO-DMDPSCGWSA-N 0 3 284.363 3.001 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742154 349152219 /nfs/dbraw/zinc/15/22/19/349152219.db2.gz KHTAIJPPWJPQKG-INIZCTEOSA-N 0 3 279.368 3.269 20 30 CGEDHN C=CCOCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618988281 349191787 /nfs/dbraw/zinc/19/17/87/349191787.db2.gz BOACDKQNYNHVMG-HNNXBMFYSA-N 0 3 290.363 3.109 20 30 CGEDHN Cc1cnc([C@H](NC[C@H](C)CCC#N)C2CC2)s1 ZINC000618887959 349175389 /nfs/dbraw/zinc/17/53/89/349175389.db2.gz JWZMDYOKCJGAKB-ZWNOBZJWSA-N 0 3 263.410 3.432 20 30 CGEDHN COc1ccc([C@H](C)[C@H](C)NCC(C)(C)C#N)cc1OC ZINC000619428958 349248732 /nfs/dbraw/zinc/24/87/32/349248732.db2.gz VZFAUWSIZMRJOI-OLZOCXBDSA-N 0 3 290.407 3.335 20 30 CGEDHN COc1ccc([C@H](C)[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000619428928 349248903 /nfs/dbraw/zinc/24/89/03/349248903.db2.gz OERHYVDEBJGITN-CHWSQXEVSA-N 0 3 260.381 3.327 20 30 CGEDHN CC(C)CN1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784739 349285523 /nfs/dbraw/zinc/28/55/23/349285523.db2.gz NEXWRHIKDDSFPJ-INIZCTEOSA-N 0 3 291.826 3.178 20 30 CGEDHN CN(C)[C@]1(CNc2cc(Cl)ccc2C#N)CCSC1 ZINC000358988027 233232710 /nfs/dbraw/zinc/23/27/10/233232710.db2.gz PGXUHBLRRHFBBB-AWEZNQCLSA-N 0 3 295.839 3.061 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cc(CO)ccc2F)C1 ZINC000625535131 350182122 /nfs/dbraw/zinc/18/21/22/350182122.db2.gz KGRUDGDJAWAQHU-ZDUSSCGKSA-N 0 3 263.356 3.106 20 30 CGEDHN C=CC[C@H]1CCN(CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000625701226 350198731 /nfs/dbraw/zinc/19/87/31/350198731.db2.gz PHSDVMBNTIAYFE-HNNXBMFYSA-N 0 3 272.392 3.140 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000628405158 350528502 /nfs/dbraw/zinc/52/85/02/350528502.db2.gz FKJTZOIGCVOHBD-CQSZACIVSA-N 0 3 267.376 3.475 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000628405158 350528508 /nfs/dbraw/zinc/52/85/08/350528508.db2.gz FKJTZOIGCVOHBD-CQSZACIVSA-N 0 3 267.376 3.475 20 30 CGEDHN CC[C@@H]1CC[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271443949 191141345 /nfs/dbraw/zinc/14/13/45/191141345.db2.gz CEIOTWUGYYYJCO-SWLSCSKDSA-N 0 3 296.374 3.371 20 30 CGEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cc(C#N)ccc1F ZINC000124185691 187125518 /nfs/dbraw/zinc/12/55/18/187125518.db2.gz UFYKRHPTIUGULG-CJNGLKHVSA-N 0 3 290.382 3.213 20 30 CGEDHN Cc1nc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1C#N ZINC000291900729 198100592 /nfs/dbraw/zinc/10/05/92/198100592.db2.gz KDGMIFDPVNEHHQ-AEFFLSMTSA-N 0 3 292.386 3.119 20 30 CGEDHN C#CCSCCNCc1cnc(-c2ccccc2)s1 ZINC000152937089 188054171 /nfs/dbraw/zinc/05/41/71/188054171.db2.gz CKXCQMHWTSHMKR-UHFFFAOYSA-N 0 3 288.441 3.266 20 30 CGEDHN C#CCOc1ccc([C@@H](C)NC[C@H](O)c2ccccc2)cc1 ZINC000153802109 188104915 /nfs/dbraw/zinc/10/49/15/188104915.db2.gz YBZPHHNXQQBWNZ-BEFAXECRSA-N 0 3 295.382 3.083 20 30 CGEDHN C#CC[C@@H](NCCc1csc(C)n1)c1ccccc1 ZINC000271732018 191296600 /nfs/dbraw/zinc/29/66/00/191296600.db2.gz SONKAFHXXUPXQL-MRXNPFEDSA-N 0 3 270.401 3.348 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000336482158 283066193 /nfs/dbraw/zinc/06/61/93/283066193.db2.gz HUHSRDLRZGIYLX-GOEBONIOSA-N 0 3 298.434 3.091 20 30 CGEDHN COC1([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000414294987 235381560 /nfs/dbraw/zinc/38/15/60/235381560.db2.gz CUNDQYKCFMLRIB-NEPJUHHUSA-N 0 3 276.355 3.306 20 30 CGEDHN N#Cc1ccc(CN(CC[C@@H]2CCCO2)C2CC2)cc1 ZINC000188916909 283138518 /nfs/dbraw/zinc/13/85/18/283138518.db2.gz SWLACKHFPJCDBK-KRWDZBQOSA-N 0 3 270.376 3.092 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000133379048 283148851 /nfs/dbraw/zinc/14/88/51/283148851.db2.gz PAKPAHVKRXXBMC-KRWDZBQOSA-N 0 3 266.319 3.474 20 30 CGEDHN C[C@@]12CCN(Cc3ccc(C#N)cc3)C[C@@H]1C2(F)F ZINC000298229216 200366181 /nfs/dbraw/zinc/36/61/81/200366181.db2.gz HDYPISJTWPRCHA-UONOGXRCSA-N 0 3 262.303 3.035 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)c1ccccc1 ZINC000176947860 189016336 /nfs/dbraw/zinc/01/63/36/189016336.db2.gz DWMKQKCCQCTYPK-CYBMUJFWSA-N 0 3 285.416 3.234 20 30 CGEDHN CCOC[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177366944 189046635 /nfs/dbraw/zinc/04/66/35/189046635.db2.gz CLEWRCLXUJWFCD-HNNXBMFYSA-N 0 3 277.795 3.050 20 30 CGEDHN C[C@H](NCc1ccc(C#N)o1)[C@@H](C)c1ccccc1 ZINC000177582859 189058654 /nfs/dbraw/zinc/05/86/54/189058654.db2.gz MOQSIYLVUPJNLG-OLZOCXBDSA-N 0 3 254.333 3.433 20 30 CGEDHN C=CCC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178080427 189089673 /nfs/dbraw/zinc/08/96/73/189089673.db2.gz ACAMQRFIVGNFSB-INIZCTEOSA-N 0 3 292.379 3.132 20 30 CGEDHN C[C@@H](NCc1ccccc1C#N)[C@@H]1COc2ccccc21 ZINC000119352977 370669426 /nfs/dbraw/zinc/66/94/26/370669426.db2.gz QFSNDVZYSDRIPO-DYVFJYSZSA-N 0 3 278.355 3.213 20 30 CGEDHN CCCC[C@@H](COC)N[C@@H](C)c1cccc(C#N)c1 ZINC000178178397 189095478 /nfs/dbraw/zinc/09/54/78/189095478.db2.gz VCHINJWUUQROTB-BBRMVZONSA-N 0 3 260.381 3.414 20 30 CGEDHN C[C@@H](NCCC(=O)NC1CCCCC1)c1cccc(C#N)c1 ZINC000181546804 189300551 /nfs/dbraw/zinc/30/05/51/189300551.db2.gz IHYGCIVZRUESSC-CQSZACIVSA-N 0 3 299.418 3.048 20 30 CGEDHN C[C@@H](O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000181564457 189301301 /nfs/dbraw/zinc/30/13/01/189301301.db2.gz UBESFXUDWVRQMQ-UONOGXRCSA-N 0 3 280.371 3.462 20 30 CGEDHN CCC(CC)[C@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000181738161 189305537 /nfs/dbraw/zinc/30/55/37/189305537.db2.gz FOEGFQQZUABHFP-MLGOLLRUSA-N 0 3 260.381 3.006 20 30 CGEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1ccccn1 ZINC000181784724 189306607 /nfs/dbraw/zinc/30/66/07/189306607.db2.gz CCSMAQFKEMJIEL-AWEZNQCLSA-N 0 3 281.359 3.073 20 30 CGEDHN C=C(C)CNCc1ccc(Br)cc1OC ZINC000119625266 370693794 /nfs/dbraw/zinc/69/37/94/370693794.db2.gz ASOAOCOYYAYKTM-UHFFFAOYSA-N 0 3 270.170 3.123 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCC1(CN(C)C)CCCC1 ZINC000302160003 201372079 /nfs/dbraw/zinc/37/20/79/201372079.db2.gz OQVDERBURMXWIW-UHFFFAOYSA-N 0 3 299.418 3.295 20 30 CGEDHN Cn1cccc1[C@H]1CCCCN1CCC(C)(C)C#N ZINC000119959845 370726264 /nfs/dbraw/zinc/72/62/64/370726264.db2.gz LDVWOVXYEKUKSR-OAHLLOKOSA-N 0 3 259.397 3.492 20 30 CGEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120546794 370779448 /nfs/dbraw/zinc/77/94/48/370779448.db2.gz PAVUTEMDQUKPMM-CYBMUJFWSA-N 0 3 258.365 3.189 20 30 CGEDHN CC(C)[C@@H](CO)[C@H](NCc1cc(C#N)ccc1F)C(C)C ZINC000451591655 240332162 /nfs/dbraw/zinc/33/21/62/240332162.db2.gz BAINLVSNVBWWCV-NVXWUHKLSA-N 0 3 292.398 3.076 20 30 CGEDHN CCOC[C@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000459673728 242173683 /nfs/dbraw/zinc/17/36/83/242173683.db2.gz KAOBENUFJYXGFL-QGZVFWFLSA-N 0 3 272.392 3.258 20 30 CGEDHN CCN(C[C@H]1CCCO1)[C@@H](C)c1cccc(C#N)c1 ZINC000275952620 193171360 /nfs/dbraw/zinc/17/13/60/193171360.db2.gz FPPNAASCXVEEAH-XJKSGUPXSA-N 0 3 258.365 3.120 20 30 CGEDHN N#CCCCN1CCC(OC2CCCCC2)CC1 ZINC000125542135 370937488 /nfs/dbraw/zinc/93/74/88/370937488.db2.gz POCNWLFIOAVSFZ-UHFFFAOYSA-N 0 3 250.386 3.104 20 30 CGEDHN CN(CCOc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000034651759 368976357 /nfs/dbraw/zinc/97/63/57/368976357.db2.gz DRXULDMPJHCOFS-UHFFFAOYSA-N 0 3 284.334 3.208 20 30 CGEDHN CCN1CCC[C@H]1CNc1c(C#N)cnc2ccccc21 ZINC000037413199 369084315 /nfs/dbraw/zinc/08/43/15/369084315.db2.gz JZPUTYCMZIFEFB-AWEZNQCLSA-N 0 3 280.375 3.003 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000037748932 369104541 /nfs/dbraw/zinc/10/45/41/369104541.db2.gz LOGUVLPGBWPPKU-ZDUSSCGKSA-N 0 3 278.355 3.344 20 30 CGEDHN CC(C)C[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000330758350 203197704 /nfs/dbraw/zinc/19/77/04/203197704.db2.gz LLCQUJKOMMMIOP-MRXNPFEDSA-N 0 3 285.391 3.007 20 30 CGEDHN CC(C)CCOCCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000045094148 369275371 /nfs/dbraw/zinc/27/53/71/369275371.db2.gz SITTWQYKPHFELD-HNNXBMFYSA-N 0 3 290.407 3.302 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCCCO1 ZINC000054271953 369500653 /nfs/dbraw/zinc/50/06/53/369500653.db2.gz UFZZHBAGFJTPQX-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062016378 369613821 /nfs/dbraw/zinc/61/38/21/369613821.db2.gz JZSYZMVNCNAKPT-ZJUUUORDSA-N 0 3 250.729 3.019 20 30 CGEDHN C=C(C)CN(CC)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000067226768 369714019 /nfs/dbraw/zinc/71/40/19/369714019.db2.gz TXINVQPZIPRKTA-UHFFFAOYSA-N 0 3 288.435 3.470 20 30 CGEDHN CCC[C@H](C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000078995919 369958188 /nfs/dbraw/zinc/95/81/88/369958188.db2.gz ZBANSIUYYITBJQ-ZDUSSCGKSA-N 0 3 275.371 3.008 20 30 CGEDHN CN1CCN(Cc2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000081598550 369998708 /nfs/dbraw/zinc/99/87/08/369998708.db2.gz BMQDZZMPFFYMPL-UHFFFAOYSA-N 0 3 283.419 3.009 20 30 CGEDHN CC(=O)Nc1cccc([C@H](C)NCCC(C)(C)C#N)c1 ZINC000087591379 370028535 /nfs/dbraw/zinc/02/85/35/370028535.db2.gz ZTRULIPMINOHDV-LBPRGKRZSA-N 0 3 273.380 3.235 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000090883860 370070590 /nfs/dbraw/zinc/07/05/90/370070590.db2.gz GGSPLRKMHOIIIZ-OAHLLOKOSA-N 0 3 279.355 3.222 20 30 CGEDHN CC(C)(CCC#N)CN(CCC1CCCCC1)CC(N)=O ZINC000092784603 370100766 /nfs/dbraw/zinc/10/07/66/370100766.db2.gz KJKAALBXDDRGLE-UHFFFAOYSA-N 0 3 293.455 3.074 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1nc(C)cc(C)n1)C(C)C ZINC000097132024 370229283 /nfs/dbraw/zinc/22/92/83/370229283.db2.gz NLXIBFWHDCJHHZ-MRXNPFEDSA-N 0 3 288.439 3.204 20 30 CGEDHN N#CCCCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109764716 370364717 /nfs/dbraw/zinc/36/47/17/370364717.db2.gz KFZUZLFAQOBBIR-UHFFFAOYSA-N 0 3 268.364 3.046 20 30 CGEDHN C[C@@H](NCCOC1CCCC1)c1ccc(C#N)cc1 ZINC000111634276 370402814 /nfs/dbraw/zinc/40/28/14/370402814.db2.gz NUBIWUFXCVXUOH-CYBMUJFWSA-N 0 3 258.365 3.168 20 30 CGEDHN CN(C)Cc1cc(CNCc2ccc(C#N)cc2)ccc1F ZINC000115623708 370538305 /nfs/dbraw/zinc/53/83/05/370538305.db2.gz LGSMBYORMZKMDQ-UHFFFAOYSA-N 0 3 297.377 3.049 20 30 CGEDHN COc1ccc(C#N)cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000130474724 371036835 /nfs/dbraw/zinc/03/68/35/371036835.db2.gz BMZFQCMWVJJSAZ-ZBFHGGJFSA-N 0 3 270.376 3.331 20 30 CGEDHN C=CCC[C@@H](O)CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000132660739 371192178 /nfs/dbraw/zinc/19/21/78/371192178.db2.gz GUIDRUGRGVCACY-ZNMIVQPWSA-N 0 3 263.381 3.380 20 30 CGEDHN COc1ccc(CN2CC[C@H](C(C)C)C2)cc1C#N ZINC000135410643 371424562 /nfs/dbraw/zinc/42/45/62/371424562.db2.gz MFUAMKZSPZSDGB-AWEZNQCLSA-N 0 3 258.365 3.045 20 30 CGEDHN CSC[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000135445210 371426921 /nfs/dbraw/zinc/42/69/21/371426921.db2.gz COGYBGHZZMTMIG-CYBMUJFWSA-N 0 3 264.369 3.025 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2OC(F)F)s1 ZINC000337318823 214003724 /nfs/dbraw/zinc/00/37/24/214003724.db2.gz YOECFBFKMFRMBN-NEPJUHHUSA-N 0 3 286.347 3.260 20 30 CGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@@H]1CC=CCC1 ZINC000344067581 217034509 /nfs/dbraw/zinc/03/45/09/217034509.db2.gz PVSLAQJUVYBMDH-LSDHHAIUSA-N 0 3 297.402 3.173 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)o1 ZINC000155061868 371900911 /nfs/dbraw/zinc/90/09/11/371900911.db2.gz QQGLJCSNSUDRSX-AWEZNQCLSA-N 0 3 252.317 3.141 20 30 CGEDHN C=C(C)CN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155101783 371905068 /nfs/dbraw/zinc/90/50/68/371905068.db2.gz HLFQOCZWUORZIK-CQSZACIVSA-N 0 3 290.407 3.156 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cc(C)ccc2C2CC2)CC1 ZINC000424652617 372090222 /nfs/dbraw/zinc/09/02/22/372090222.db2.gz QZNDAHCHPICPQQ-UHFFFAOYSA-N 0 3 298.430 3.253 20 30 CGEDHN CC#CCCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425610315 372136651 /nfs/dbraw/zinc/13/66/51/372136651.db2.gz RARGNAPOXZQVTQ-QGZVFWFLSA-N 0 3 298.430 3.090 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(C)c2C)n1 ZINC000160095413 372212015 /nfs/dbraw/zinc/21/20/15/372212015.db2.gz OEXAGIQFNWXAAV-LBPRGKRZSA-N 0 3 285.372 3.314 20 30 CGEDHN COc1cc(CN2CCC[C@H](CSC)C2)ccc1C#N ZINC000292826151 372220076 /nfs/dbraw/zinc/22/00/76/372220076.db2.gz QNZYNEPGFSZSHM-AWEZNQCLSA-N 0 3 290.432 3.142 20 30 CGEDHN CCc1ccc(NC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000160160055 372220400 /nfs/dbraw/zinc/22/04/00/372220400.db2.gz OKNKUUQSEWCMDY-CYBMUJFWSA-N 0 3 285.372 3.260 20 30 CGEDHN C[C@H](O)CN(CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000159867968 372189664 /nfs/dbraw/zinc/18/96/64/372189664.db2.gz AJFYUYSVUKYVAX-HNNXBMFYSA-N 0 3 289.394 3.193 20 30 CGEDHN CC(C)[C@@]1(CO)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000292906416 372244087 /nfs/dbraw/zinc/24/40/87/372244087.db2.gz ATWVOLQOQYHHCE-QAPCUYQASA-N 0 3 286.419 3.350 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cc(F)c(F)c(F)c1 ZINC000430739257 372394448 /nfs/dbraw/zinc/39/44/48/372394448.db2.gz HHWWJEFMHVNDHG-VIFPVBQESA-N 0 3 268.282 3.448 20 30 CGEDHN Cc1cccc(NCCN[C@H](C)c2ccc(C#N)cc2)n1 ZINC000344339709 217158761 /nfs/dbraw/zinc/15/87/61/217158761.db2.gz XQTVIMKVQGQKCC-CQSZACIVSA-N 0 3 280.375 3.024 20 30 CGEDHN C=CCN(CC=C)CCCc1nc(-c2cccs2)no1 ZINC000052869244 541877040 /nfs/dbraw/zinc/87/70/40/541877040.db2.gz LAJRESBABXCDOU-UHFFFAOYSA-N 0 3 289.404 3.405 20 30 CGEDHN C=CCN1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432323331 372558395 /nfs/dbraw/zinc/55/83/95/372558395.db2.gz DOAQXNXPJYINEM-UHFFFAOYSA-N 0 3 295.770 3.311 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1 ZINC000344481801 217207169 /nfs/dbraw/zinc/20/71/69/217207169.db2.gz IFKOANCWWKKXAK-ZDUSSCGKSA-N 0 3 284.334 3.254 20 30 CGEDHN N#CCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000171030575 372702883 /nfs/dbraw/zinc/70/28/83/372702883.db2.gz GGCBXLRNMWOKFE-UHFFFAOYSA-N 0 3 270.376 3.275 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(OC)cc1Cl ZINC000435740600 372799027 /nfs/dbraw/zinc/79/90/27/372799027.db2.gz FKTPVSVJMRDTTL-CZUORRHYSA-N 0 3 295.810 3.419 20 30 CGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC[C@H]1CCOC1 ZINC000438123799 372893427 /nfs/dbraw/zinc/89/34/27/372893427.db2.gz TYZDYCZUSRZAQU-CGTJXYLNSA-N 0 3 284.403 3.185 20 30 CGEDHN C#CCCCN1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295971798 372979171 /nfs/dbraw/zinc/97/91/71/372979171.db2.gz NNHLOVKJUVIWGH-MRXNPFEDSA-N 0 3 267.376 3.422 20 30 CGEDHN C#CCCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295971798 372979176 /nfs/dbraw/zinc/97/91/76/372979176.db2.gz NNHLOVKJUVIWGH-MRXNPFEDSA-N 0 3 267.376 3.422 20 30 CGEDHN N#CC1CCC(CNCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000441370864 373004080 /nfs/dbraw/zinc/00/40/80/373004080.db2.gz RVIWOCNPWMDRQS-UHFFFAOYSA-N 0 3 294.402 3.496 20 30 CGEDHN C=CC1CCN(CCOc2ccccc2OCC)CC1 ZINC000441391506 373005182 /nfs/dbraw/zinc/00/51/82/373005182.db2.gz HAHIGYAUQYQWLB-UHFFFAOYSA-N 0 3 275.392 3.362 20 30 CGEDHN CC#CCCN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440548436 372987742 /nfs/dbraw/zinc/98/77/42/372987742.db2.gz LRDLHDWLDUNCFP-VYDXJSESSA-N 0 3 261.409 3.069 20 30 CGEDHN CN(C)[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000442645079 373060941 /nfs/dbraw/zinc/06/09/41/373060941.db2.gz IEQAYBJIDFTIDX-WOSRLPQWSA-N 0 3 291.826 3.225 20 30 CGEDHN CC(C)(C)Oc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000442830516 373099154 /nfs/dbraw/zinc/09/91/54/373099154.db2.gz SQCXVZJDHHVJLS-OCCSQVGLSA-N 0 3 273.380 3.041 20 30 CGEDHN CC[C@H](C)[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000296397668 373118235 /nfs/dbraw/zinc/11/82/35/373118235.db2.gz KIDDBNNBWCBTLE-HWWQOWPSSA-N 0 3 278.371 3.409 20 30 CGEDHN CSCCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000173582443 373160141 /nfs/dbraw/zinc/16/01/41/373160141.db2.gz NSBVCFXXAPNZCC-UHFFFAOYSA-N 0 3 260.406 3.276 20 30 CGEDHN CC1(C)[C@H](NCc2ccc(Cl)cc2C#N)[C@H]2CCO[C@H]21 ZINC000296429113 373131493 /nfs/dbraw/zinc/13/14/93/373131493.db2.gz VZQVDTCSPHCIQF-RBSFLKMASA-N 0 3 290.794 3.115 20 30 CGEDHN CC(C#N)C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000444463917 373192078 /nfs/dbraw/zinc/19/20/78/373192078.db2.gz HKGUEOVIBFIKJG-FRRDWIJNSA-N 0 3 250.386 3.115 20 30 CGEDHN C=CC[C@H]1N(CCn2c(C)csc2=O)CCCC1(C)C ZINC000444786478 373274197 /nfs/dbraw/zinc/27/41/97/373274197.db2.gz UWIINIQNOZTRBZ-CQSZACIVSA-N 0 3 294.464 3.285 20 30 CGEDHN C=C(C)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241736 373274257 /nfs/dbraw/zinc/27/42/57/373274257.db2.gz QJTSYXTYEWMJBO-UHFFFAOYSA-N 0 3 276.336 3.014 20 30 CGEDHN Cc1ccc(O[C@H](C)CNCc2ccc(C#N)o2)cc1 ZINC000174593719 373342558 /nfs/dbraw/zinc/34/25/58/373342558.db2.gz ASFJFKINWUEVPX-CYBMUJFWSA-N 0 3 270.332 3.017 20 30 CGEDHN CCCCn1cc(CN[C@H]2CCC[C@@H](C#N)C2)c(C)n1 ZINC000446807284 373364451 /nfs/dbraw/zinc/36/44/51/373364451.db2.gz YRABLMHTZJSOKD-ZBFHGGJFSA-N 0 3 274.412 3.164 20 30 CGEDHN C=CC[C@H]1N(Cc2ccnn2CC)CCCC1(C)C ZINC000446826797 373368179 /nfs/dbraw/zinc/36/81/79/373368179.db2.gz KOAMQSHWRRDHQF-OAHLLOKOSA-N 0 3 261.413 3.470 20 30 CGEDHN C[C@@H](CNc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000301100713 373660773 /nfs/dbraw/zinc/66/07/73/373660773.db2.gz PWQUPANAEFYWBE-HNNXBMFYSA-N 0 3 291.398 3.417 20 30 CGEDHN N#Cc1cccnc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301111494 373664765 /nfs/dbraw/zinc/66/47/65/373664765.db2.gz YWFRVPHUQTVUTH-KRWDZBQOSA-N 0 3 292.386 3.030 20 30 CGEDHN COCC1(C#N)CCN(Cc2cccc3ccoc32)CC1 ZINC000449311993 373678649 /nfs/dbraw/zinc/67/86/49/373678649.db2.gz OXYMZAAHMUUXQO-UHFFFAOYSA-N 0 3 284.359 3.185 20 30 CGEDHN C=CC(C)(C)CNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000449486421 373775393 /nfs/dbraw/zinc/77/53/93/373775393.db2.gz SEMTYJWXUVQGKV-UHFFFAOYSA-N 0 3 293.480 3.211 20 30 CGEDHN C=C(C)CCNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000449473326 373759305 /nfs/dbraw/zinc/75/93/05/373759305.db2.gz HROJHKUOFPHCDS-NSHDSACASA-N 0 3 250.411 3.324 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Br)cc1 ZINC000449517673 373817934 /nfs/dbraw/zinc/81/79/34/373817934.db2.gz GRCPECDCOYPLDH-GDLCADMTSA-N 0 3 296.208 3.443 20 30 CGEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CC)CCCC1 ZINC000449859381 373945845 /nfs/dbraw/zinc/94/58/45/373945845.db2.gz WBBFAXVBDYMOEI-HNNXBMFYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCSCCN[C@H](C)c1cc(OC)ccc1OC ZINC000180457903 374010533 /nfs/dbraw/zinc/01/05/33/374010533.db2.gz XEYPUKWZDNUOMM-GFCCVEGCSA-N 0 3 281.421 3.274 20 30 CGEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCCCC1 ZINC000449937822 373977273 /nfs/dbraw/zinc/97/72/73/373977273.db2.gz DAZHYIFHBLBYEL-LSDHHAIUSA-N 0 3 278.440 3.112 20 30 CGEDHN CCC1(CC)[C@H](NCc2ccc(C#N)o2)[C@@H](C)[C@@H]1OC ZINC000180213552 373978652 /nfs/dbraw/zinc/97/86/52/373978652.db2.gz NLBJVTMFIIFSTR-DFBGVHRSSA-N 0 3 276.380 3.081 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000449989883 373980795 /nfs/dbraw/zinc/98/07/95/373980795.db2.gz VNRFDDLCMQIYNQ-GJZGRUSLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc(OCC)c1 ZINC000180708808 374037868 /nfs/dbraw/zinc/03/78/68/374037868.db2.gz ZQYVJKJCVDRNAK-UKRRQHHQSA-N 0 3 263.381 3.063 20 30 CGEDHN N#Cc1ccc(OCCN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000181157296 374087077 /nfs/dbraw/zinc/08/70/77/374087077.db2.gz QAZYYNJFYRVKKK-SFHVURJKSA-N 0 3 296.345 3.353 20 30 CGEDHN C[C@H](NC[C@@H](C#N)CCC#N)C(C)(C)c1ccccc1 ZINC000181773337 374169202 /nfs/dbraw/zinc/16/92/02/374169202.db2.gz MWGZYWQOBNTHKJ-LSDHHAIUSA-N 0 3 269.392 3.386 20 30 CGEDHN Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000181779964 374171989 /nfs/dbraw/zinc/17/19/89/374171989.db2.gz SQPYYIBMBAVTOV-VXGBXAGGSA-N 0 3 283.375 3.445 20 30 CGEDHN C=CCC1(C(=O)N(C)CCN(C)C2CC2)CCCCC1 ZINC000450696364 374173044 /nfs/dbraw/zinc/17/30/44/374173044.db2.gz GJQZUBBYJCYMNU-UHFFFAOYSA-N 0 3 278.440 3.066 20 30 CGEDHN CC[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000182314439 374256502 /nfs/dbraw/zinc/25/65/02/374256502.db2.gz ONDPZGVQHIRQIX-CVEARBPZSA-N 0 3 277.795 3.239 20 30 CGEDHN N#Cc1cccc(CN2C[C@@H]3CCCC[C@H]3C2)c1F ZINC000312070819 374267813 /nfs/dbraw/zinc/26/78/13/374267813.db2.gz HHZNRGRBQLHBFX-KBPBESRZSA-N 0 3 258.340 3.319 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccccc1Cl ZINC000320615600 374351083 /nfs/dbraw/zinc/35/10/83/374351083.db2.gz HLCHIFONDKSXMP-RYUDHWBXSA-N 0 3 253.773 3.318 20 30 CGEDHN Cc1c([C@H](C)NCCCC#N)cnn1-c1ccc(F)cc1 ZINC000183000162 374353741 /nfs/dbraw/zinc/35/37/41/374353741.db2.gz OADGRGNFQKEXSC-LBPRGKRZSA-N 0 3 286.354 3.274 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(C#N)cc1F ZINC000453287524 374392098 /nfs/dbraw/zinc/39/20/98/374392098.db2.gz GKLRNCSSFYNWHS-DYEKYZERSA-N 0 3 271.339 3.430 20 30 CGEDHN Cc1c([C@@H](C)NCc2ccccc2C(C)(C)C#N)cnn1C ZINC000183458951 374415527 /nfs/dbraw/zinc/41/55/27/374415527.db2.gz JHDQKECUENPEKQ-CYBMUJFWSA-N 0 3 296.418 3.381 20 30 CGEDHN CC(C)(CNC(=O)c1conc1C1CC1)N1CCCCC1 ZINC000329785954 374430612 /nfs/dbraw/zinc/43/06/12/374430612.db2.gz QITNQZHHZUDUKK-UHFFFAOYSA-N 0 3 291.395 3.121 20 30 CGEDHN C[C@H](NCC(C)(C)C(C)(C)O)c1ccc(C#N)c(F)c1 ZINC000453376971 374463411 /nfs/dbraw/zinc/46/34/11/374463411.db2.gz UYLIHXKBTRMSLU-NSHDSACASA-N 0 3 278.371 3.145 20 30 CGEDHN CC[C@H]1CN(CCCCC#N)CCN1Cc1ccccc1 ZINC000183746586 374449360 /nfs/dbraw/zinc/44/93/60/374449360.db2.gz FHADCYKFYKOROU-SFHVURJKSA-N 0 3 285.435 3.277 20 30 CGEDHN C[C@H](CNC(=O)c1cccc(CC#N)c1)N1CCC[C@@H](C)C1 ZINC000330638237 374486427 /nfs/dbraw/zinc/48/64/27/374486427.db2.gz BMNPLPUPRGGDFJ-HUUCEWRRSA-N 0 3 299.418 3.178 20 30 CGEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(C#N)s1 ZINC000185194139 374607476 /nfs/dbraw/zinc/60/74/76/374607476.db2.gz PUWLRXBYQOMSRQ-LSDHHAIUSA-N 0 3 278.421 3.303 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccccc1C#N ZINC000185196619 374609126 /nfs/dbraw/zinc/60/91/26/374609126.db2.gz SVRWVCNJTVSPLJ-IRXDYDNUSA-N 0 3 272.392 3.242 20 30 CGEDHN CC[C@H]1[C@H](C)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000185635585 374701961 /nfs/dbraw/zinc/70/19/61/374701961.db2.gz BOSHWSDZCQRHAJ-WBVHZDCISA-N 0 3 299.418 3.054 20 30 CGEDHN Cc1cc(NC(=O)c2cc(C#N)cs2)ccc1CN(C)C ZINC000458284675 374747882 /nfs/dbraw/zinc/74/78/82/374747882.db2.gz NBTRAXOHEISPEX-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C[C@@H]1CSC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000334392846 374710563 /nfs/dbraw/zinc/71/05/63/374710563.db2.gz YPNPMUSBWZAQGP-NOZJJQNGSA-N 0 3 266.797 3.053 20 30 CGEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCc3cc(F)ccc32)C1 ZINC000185812657 374742564 /nfs/dbraw/zinc/74/25/64/374742564.db2.gz UTJLCYUSPLJGFL-PJODQICGSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCSCCN[C@H](CCC)c1cccnc1 ZINC000185968665 374776378 /nfs/dbraw/zinc/77/63/78/374776378.db2.gz XYPUWNOSMDSPEG-CQSZACIVSA-N 0 3 250.411 3.432 20 30 CGEDHN C=CC[C@@H](CO)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000186712666 374904157 /nfs/dbraw/zinc/90/41/57/374904157.db2.gz SOJQPLCNVZALBI-AAEUAGOBSA-N 0 3 283.824 3.404 20 30 CGEDHN C=CCOCCCN1CCOC2(C1)CCCCCC2 ZINC000470772091 374999556 /nfs/dbraw/zinc/99/95/56/374999556.db2.gz JEOJMBLLLRVPEM-UHFFFAOYSA-N 0 3 267.413 3.004 20 30 CGEDHN C=CCC[C@@H](O)CN(CC)Cc1ccc(Cl)cc1 ZINC000472760700 375034093 /nfs/dbraw/zinc/03/40/93/375034093.db2.gz ZVVGMRXCBXCXSE-OAHLLOKOSA-N 0 3 267.800 3.489 20 30 CGEDHN C=CCCCN(C)Cc1nn(CC)c2ccccc12 ZINC000473143136 375046258 /nfs/dbraw/zinc/04/62/58/375046258.db2.gz SYXCWCUDAYSFGZ-UHFFFAOYSA-N 0 3 257.381 3.454 20 30 CGEDHN C=C[C@@H](C)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000478220830 375146931 /nfs/dbraw/zinc/14/69/31/375146931.db2.gz ADHKPDWASJEGLD-GFCCVEGCSA-N 0 3 261.365 3.306 20 30 CGEDHN C=CCN1CCC(N=c2[nH]c3cccc(C)c3s2)CC1 ZINC000479961931 375156841 /nfs/dbraw/zinc/15/68/41/375156841.db2.gz ALKADWLEVGEIDJ-UHFFFAOYSA-N 0 3 287.432 3.089 20 30 CGEDHN C=CCN(CCOC)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000484581200 375189441 /nfs/dbraw/zinc/18/94/41/375189441.db2.gz GCKWMVQVEHPZPV-GFCCVEGCSA-N 0 3 285.334 3.483 20 30 CGEDHN COc1cc(CN(C)Cc2ccc(C#N)c(C)c2)ccc1O ZINC000487858049 375278758 /nfs/dbraw/zinc/27/87/58/375278758.db2.gz JCYCGXLWXJTVDD-UHFFFAOYSA-N 0 3 296.370 3.213 20 30 CGEDHN CO[C@@]1(C)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000335763652 375410301 /nfs/dbraw/zinc/41/03/01/375410301.db2.gz QETKMOBPMABRNQ-CJNGLKHVSA-N 0 3 258.365 3.120 20 30 CGEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(C)cc1 ZINC000189584202 375418729 /nfs/dbraw/zinc/41/87/29/375418729.db2.gz LWLCQRDFQJCTOC-KRWDZBQOSA-N 0 3 267.376 3.446 20 30 CGEDHN N#Cc1ccc(CN[C@H]2CCCC(F)(F)C2)s1 ZINC000335796572 375437970 /nfs/dbraw/zinc/43/79/70/375437970.db2.gz CQIZCQMPKZOXRB-VIFPVBQESA-N 0 3 256.321 3.287 20 30 CGEDHN C=CCN(C)Cc1ccc(Br)cc1C ZINC000494636278 375490358 /nfs/dbraw/zinc/49/03/58/375490358.db2.gz XULQMNCIPQLQRP-UHFFFAOYSA-N 0 3 254.171 3.375 20 30 CGEDHN Cn1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000335872987 375502126 /nfs/dbraw/zinc/50/21/26/375502126.db2.gz ZRLXYDGDOPTYIB-GOSISDBHSA-N 0 3 279.387 3.454 20 30 CGEDHN Cc1sc(NC(=O)C(C)C(F)(F)F)c(C#N)c1C ZINC000335880098 375508111 /nfs/dbraw/zinc/50/81/11/375508111.db2.gz MVJUOQCVALHRBF-LURJTMIESA-N 0 3 276.283 3.374 20 30 CGEDHN C[C@@H]1N(Cc2cc(C#N)cs2)CCC12CCOCC2 ZINC000336009106 375613630 /nfs/dbraw/zinc/61/36/30/375613630.db2.gz ATCDPFFBBXKSBH-LBPRGKRZSA-N 0 3 276.405 3.011 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000498922301 375629276 /nfs/dbraw/zinc/62/92/76/375629276.db2.gz KZRJTIONPFRZGP-HOTGVXAUSA-N 0 3 299.462 3.402 20 30 CGEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000191290044 375606186 /nfs/dbraw/zinc/60/61/86/375606186.db2.gz PBRNCNPORKGKKD-INIZCTEOSA-N 0 3 298.346 3.046 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(SC)cc1 ZINC000191757478 375659419 /nfs/dbraw/zinc/65/94/19/375659419.db2.gz HHVUSQZCNNEFEP-UHFFFAOYSA-N 0 3 251.395 3.043 20 30 CGEDHN CN(CCc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000192046328 375694517 /nfs/dbraw/zinc/69/45/17/375694517.db2.gz AMPJTRCBMPEODY-UHFFFAOYSA-N 0 3 274.364 3.433 20 30 CGEDHN N#C[C@H]1CC[C@H](NCc2ccc3ncccc3c2)C1 ZINC000336364873 375782199 /nfs/dbraw/zinc/78/21/99/375782199.db2.gz KIABQRNCBFVSDD-WFASDCNBSA-N 0 3 251.333 3.017 20 30 CGEDHN Cc1ccc2nc(CN[C@@H]3CCC[C@H](C#N)C3)[nH]c2c1 ZINC000336251900 375765127 /nfs/dbraw/zinc/76/51/27/375765127.db2.gz KSKDQTCENSJZEP-QWHCGFSZSA-N 0 3 268.364 3.043 20 30 CGEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000336291298 375772612 /nfs/dbraw/zinc/77/26/12/375772612.db2.gz ASPIOHJIFTUEHA-ZFWWWQNUSA-N 0 3 288.366 3.361 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000336291295 375773047 /nfs/dbraw/zinc/77/30/47/375773047.db2.gz ASPIOHJIFTUEHA-HIFRSBDPSA-N 0 3 288.366 3.361 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000336465191 375797182 /nfs/dbraw/zinc/79/71/82/375797182.db2.gz WWLVXGJYSHFSEU-ZJUUUORDSA-N 0 3 258.346 3.238 20 30 CGEDHN CC(C#N)C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000336471637 375797662 /nfs/dbraw/zinc/79/76/62/375797662.db2.gz JKGVMSOXTOEHQR-LLVKDONJSA-N 0 3 274.751 3.115 20 30 CGEDHN C=C(C)CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000514928531 375807839 /nfs/dbraw/zinc/80/78/39/375807839.db2.gz BMXPIFIUWPQLKN-UHFFFAOYSA-N 0 3 278.827 3.424 20 30 CGEDHN C=CCCCCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511627378 375791394 /nfs/dbraw/zinc/79/13/94/375791394.db2.gz NDTSNRFTALUBGG-STQMWFEESA-N 0 3 279.346 3.226 20 30 CGEDHN Cc1ccccc1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000193386848 375871780 /nfs/dbraw/zinc/87/17/80/375871780.db2.gz YZNDJAKQSUCUKB-UHFFFAOYSA-N 0 3 291.398 3.189 20 30 CGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC12CC2 ZINC000528906632 375914298 /nfs/dbraw/zinc/91/42/98/375914298.db2.gz FUCBBLULPVUGNU-QWHCGFSZSA-N 0 3 293.370 3.330 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3[C@H](C)[C@@H]3C3CC3)nc21 ZINC000528954422 375915718 /nfs/dbraw/zinc/91/57/18/375915718.db2.gz RYLQNEMDWOYOJZ-PZTHBURQSA-N 0 3 293.370 3.340 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3[C@H](C)[C@@H]3C3CC3)[nH]c21 ZINC000528954422 375915727 /nfs/dbraw/zinc/91/57/27/375915727.db2.gz RYLQNEMDWOYOJZ-PZTHBURQSA-N 0 3 293.370 3.340 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000530039160 375937749 /nfs/dbraw/zinc/93/77/49/375937749.db2.gz ZUYPBUYSAHIJAN-RISCZKNCSA-N 0 3 274.339 3.080 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1cccc(C#N)c1F ZINC000222572136 376238670 /nfs/dbraw/zinc/23/86/70/376238670.db2.gz MPOHCWUYOAGAEK-CZUORRHYSA-N 0 3 290.382 3.213 20 30 CGEDHN C[C@@H](C#N)CN(C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000338286609 376314271 /nfs/dbraw/zinc/31/42/71/376314271.db2.gz NJSHKNHBKDDYQS-RYUDHWBXSA-N 0 3 256.340 3.436 20 30 CGEDHN C=CCC[C@H](O)CN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000539887701 376346105 /nfs/dbraw/zinc/34/61/05/376346105.db2.gz UUMBJNVNGQXWTL-WWGRRREGSA-N 0 3 277.383 3.460 20 30 CGEDHN COC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000540975905 376411126 /nfs/dbraw/zinc/41/11/26/376411126.db2.gz MZZDQAZMUULEDZ-IAQYHMDHSA-N 0 3 264.344 3.019 20 30 CGEDHN C=CCOc1ccccc1CN1CCC(CC#N)CC1 ZINC000541921761 376496046 /nfs/dbraw/zinc/49/60/46/376496046.db2.gz QCYMIPXOIDWAQD-UHFFFAOYSA-N 0 3 270.376 3.377 20 30 CGEDHN C[C@H]1CCCCN1CCCNc1nc(Cl)c(C#N)s1 ZINC000235538510 376643722 /nfs/dbraw/zinc/64/37/22/376643722.db2.gz OEYUVKXNCBQZGT-JTQLQIEISA-N 0 3 298.843 3.345 20 30 CGEDHN Cc1ccc(CCN[C@@H](C)c2ccc(C#N)cc2F)cn1 ZINC000543762494 376675996 /nfs/dbraw/zinc/67/59/96/376675996.db2.gz VEQOSSLSZZQPFX-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN C=CCOCCN(CC)Cc1c[nH]c2ccccc12 ZINC000339113319 376687398 /nfs/dbraw/zinc/68/73/98/376687398.db2.gz AZCMRNHWGMEILZ-UHFFFAOYSA-N 0 3 258.365 3.192 20 30 CGEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544442717 376737387 /nfs/dbraw/zinc/73/73/87/376737387.db2.gz UMYPGOKICXBMRY-KBRIMQKVSA-N 0 3 286.419 3.348 20 30 CGEDHN C=C[C@@H](CC(=O)NCCN1CC=C(C)CC1)c1ccccc1 ZINC000545162207 376792506 /nfs/dbraw/zinc/79/25/06/376792506.db2.gz FNAADAUQFWLNRN-KRWDZBQOSA-N 0 3 298.430 3.115 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](OCC)C2)cc1 ZINC000155489161 542123650 /nfs/dbraw/zinc/12/36/50/542123650.db2.gz YVIHNRDAVLIIFJ-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN N#Cc1ccc(CNCC23CCC(CC2)C3)c(F)c1 ZINC000339791763 376849639 /nfs/dbraw/zinc/84/96/39/376849639.db2.gz HFEVIKUVXNCBJM-UHFFFAOYSA-N 0 3 258.340 3.367 20 30 CGEDHN C=CCC[C@H](NCCN1CC[C@H](C)C1)c1ccco1 ZINC000556874039 376894835 /nfs/dbraw/zinc/89/48/35/376894835.db2.gz ZOQRGLJFJAQHGR-GJZGRUSLSA-N 0 3 262.397 3.218 20 30 CGEDHN C=CCOc1cccc(CN(C)C[C@@H]2CCCC[C@H]2O)c1 ZINC000246027012 376954940 /nfs/dbraw/zinc/95/49/40/376954940.db2.gz VQPYYBRJLAAIEG-FUHWJXTLSA-N 0 3 289.419 3.234 20 30 CGEDHN Clc1ccc(C#CCN2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246418843 377026385 /nfs/dbraw/zinc/02/63/85/377026385.db2.gz AKSZQEIVFKTHIK-DOTOQJQBSA-N 0 3 289.806 3.192 20 30 CGEDHN Cc1cc(C)c(C#N)c(NC[C@H](c2ccccc2)N(C)C)n1 ZINC000248004394 377255954 /nfs/dbraw/zinc/25/59/54/377255954.db2.gz OFNQFPHJPVDROD-QGZVFWFLSA-N 0 3 294.402 3.285 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000248905096 377424878 /nfs/dbraw/zinc/42/48/78/377424878.db2.gz UTJLCYUSPLJGFL-DIOULYMOSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCCCCCNC(=O)Nc1cc(C)cc(CN)c1 ZINC000568664569 377521744 /nfs/dbraw/zinc/52/17/44/377521744.db2.gz VUFOBJNATZKDDE-UHFFFAOYSA-N 0 3 275.396 3.322 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(F)c(Cl)c1Cl ZINC000341435671 377565039 /nfs/dbraw/zinc/56/50/39/377565039.db2.gz LVGILJNCPPGUMJ-VIFPVBQESA-N 0 3 278.154 3.159 20 30 CGEDHN C[C@@H](C1CCCCC1)N(C)Cc1ccc(C#N)cn1 ZINC000574463086 377667697 /nfs/dbraw/zinc/66/76/97/377667697.db2.gz OUIXNEKQJIEMJU-ZDUSSCGKSA-N 0 3 257.381 3.354 20 30 CGEDHN C=CCCN(C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000342730275 377761096 /nfs/dbraw/zinc/76/10/96/377761096.db2.gz JIBRFAQJBGIALT-HNNXBMFYSA-N 0 3 274.408 3.447 20 30 CGEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccc(C#N)cc1F ZINC000343531172 378009584 /nfs/dbraw/zinc/00/95/84/378009584.db2.gz DKNARCLLHYXHTL-CYBMUJFWSA-N 0 3 293.345 3.462 20 30 CGEDHN Cc1sc(NC(=O)CN(C)[C@@H](C)C(C)C)c(C#N)c1C ZINC000267422802 378038963 /nfs/dbraw/zinc/03/89/63/378038963.db2.gz UXAGSMKNMPGBIS-NSHDSACASA-N 0 3 293.436 3.151 20 30 CGEDHN C=CCOc1ccc(CN2CCCO[C@H](CC)C2)cc1 ZINC000343654870 378055486 /nfs/dbraw/zinc/05/54/86/378055486.db2.gz IATRAEMVCVYMFW-MRXNPFEDSA-N 0 3 275.392 3.252 20 30 CGEDHN CC(C)c1ccc([C@H](N)CNC(=O)C2(C#N)CCCC2)cc1 ZINC000578543094 378079564 /nfs/dbraw/zinc/07/95/64/378079564.db2.gz TYZXIIVRHRQPET-MRXNPFEDSA-N 0 3 299.418 3.010 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](CC)CC1 ZINC000343911927 378132444 /nfs/dbraw/zinc/13/24/44/378132444.db2.gz FGALOPCJKOGQBP-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN C[C@H](N[C@@H](CCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000344128763 378160854 /nfs/dbraw/zinc/16/08/54/378160854.db2.gz ITGGWWYGFQDFSR-KSSFIOAISA-N 0 3 280.371 3.333 20 30 CGEDHN CC(C#N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000345343774 378263866 /nfs/dbraw/zinc/26/38/66/378263866.db2.gz QCAHTUUBGYMIIN-GFCCVEGCSA-N 0 3 274.339 3.257 20 30 CGEDHN C=CCNC(=O)CN[C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345316159 378253341 /nfs/dbraw/zinc/25/33/41/378253341.db2.gz RMVBLHQUJKDTAI-OAHLLOKOSA-N 0 3 292.810 3.073 20 30 CGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc2c(c1)OCO2 ZINC000345942214 378416044 /nfs/dbraw/zinc/41/60/44/378416044.db2.gz WHEVNGLUFRKMTN-NSHDSACASA-N 0 3 260.337 3.006 20 30 CGEDHN C[C@H](NC[C@](C)(O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271936686 378523635 /nfs/dbraw/zinc/52/36/35/378523635.db2.gz KKLXJTFOPBODRS-UGSOOPFHSA-N 0 3 298.361 3.256 20 30 CGEDHN C#CCCOc1ccc(CN[C@@H](C)[C@@H]2CCCCO2)cc1 ZINC000272021511 378547114 /nfs/dbraw/zinc/54/71/14/378547114.db2.gz RWIPXIZAZNKZGW-YJBOKZPZSA-N 0 3 287.403 3.136 20 30 CGEDHN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C(C)C#N)cc1 ZINC000346666552 378667858 /nfs/dbraw/zinc/66/78/58/378667858.db2.gz YMEPMHMDMJMLJP-DZKIICNBSA-N 0 3 270.376 3.454 20 30 CGEDHN N#CCCCN[C@H]1CCc2c1cccc2Br ZINC000273042352 378736400 /nfs/dbraw/zinc/73/64/00/378736400.db2.gz VJUVQSFUVMXSCW-ZDUSSCGKSA-N 0 3 279.181 3.330 20 30 CGEDHN C=CCOCCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000348044066 378764644 /nfs/dbraw/zinc/76/46/44/378764644.db2.gz YPVJWCQRHDOATF-XOBRGWDASA-N 0 3 295.448 3.010 20 30 CGEDHN CCN(CC)CCSc1nc(Cl)c(C#N)s1 ZINC000278493862 194010672 /nfs/dbraw/zinc/01/06/72/194010672.db2.gz HQOVLOHVXOGVMV-UHFFFAOYSA-N 0 3 275.830 3.102 20 30 CGEDHN C=CCCCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000274613682 378861678 /nfs/dbraw/zinc/86/16/78/378861678.db2.gz UJLFWBKTNLAMOX-ZDUSSCGKSA-N 0 3 266.410 3.441 20 30 CGEDHN Cn1cc(CN2CC[C@H](c3ccccc3F)C2)cc1C#N ZINC000276764254 378994535 /nfs/dbraw/zinc/99/45/35/378994535.db2.gz NISWSZXUMXVPQE-AWEZNQCLSA-N 0 3 283.350 3.025 20 30 CGEDHN C=CCCN(C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276824022 379003071 /nfs/dbraw/zinc/00/30/71/379003071.db2.gz AADLOAFJHZNPFV-UHFFFAOYSA-N 0 3 264.325 3.001 20 30 CGEDHN CC[C@H](C)CN(CC)Cc1ccc(C#N)cc1OC ZINC000347254796 218171225 /nfs/dbraw/zinc/17/12/25/218171225.db2.gz JQBOBRZPPNNATJ-ZDUSSCGKSA-N 0 3 260.381 3.435 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccncc3)C2)s1 ZINC000370718422 379059853 /nfs/dbraw/zinc/05/98/53/379059853.db2.gz CHFTZGFBDZKRJJ-CQSZACIVSA-N 0 3 283.400 3.079 20 30 CGEDHN N#Cc1cccc(OCCN[C@@H](c2cccnc2)C2CC2)c1 ZINC000347376415 218211645 /nfs/dbraw/zinc/21/16/45/218211645.db2.gz YHONKFWVIMNDDN-GOSISDBHSA-N 0 3 293.370 3.073 20 30 CGEDHN CC[C@@H](N[C@H](C)c1cn(C)nc1C)c1ccc(C#N)cc1 ZINC000278752925 194139074 /nfs/dbraw/zinc/13/90/74/194139074.db2.gz NXWRUKADOUGRQP-SJKOYZFVSA-N 0 3 282.391 3.402 20 30 CGEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279629056 379475628 /nfs/dbraw/zinc/47/56/28/379475628.db2.gz YXLKLVGMRKTRSB-MELADBBJSA-N 0 3 299.422 3.426 20 30 CGEDHN CC(C)(C#N)CCCN(CCC1CCCCC1)CC(N)=O ZINC000350093032 379504153 /nfs/dbraw/zinc/50/41/53/379504153.db2.gz VQRBPAWUKMKGTI-UHFFFAOYSA-N 0 3 293.455 3.074 20 30 CGEDHN C=CCN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375855424 379514099 /nfs/dbraw/zinc/51/40/99/379514099.db2.gz AJUWJHMDKQVREO-CQSZACIVSA-N 0 3 285.309 3.183 20 30 CGEDHN C=CCCCN[C@@H](C)c1ccc(Br)cn1 ZINC000280003249 379576796 /nfs/dbraw/zinc/57/67/96/379576796.db2.gz GBBRFMHQMGKMDI-JTQLQIEISA-N 0 3 269.186 3.461 20 30 CGEDHN C=C(C)CN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639913265 379641005 /nfs/dbraw/zinc/64/10/05/379641005.db2.gz ATJUSNMEZQHZDB-CYBMUJFWSA-N 0 3 257.736 3.068 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)o1 ZINC000280517740 379722624 /nfs/dbraw/zinc/72/26/24/379722624.db2.gz AUUQYGNDYUVVDS-MQMHXKEQSA-N 0 3 270.307 3.326 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1sccc1Cl ZINC000280604264 379744851 /nfs/dbraw/zinc/74/48/51/379744851.db2.gz JOARUELUGFWGET-GXFFZTMASA-N 0 3 271.813 3.472 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1sccc1Cl ZINC000280604263 379745243 /nfs/dbraw/zinc/74/52/43/379745243.db2.gz JOARUELUGFWGET-GWCFXTLKSA-N 0 3 271.813 3.472 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1csc(C)n1 ZINC000280902122 379809452 /nfs/dbraw/zinc/80/94/52/379809452.db2.gz RELXAYJGTXYZEK-SUHUHFCYSA-N 0 3 266.410 3.083 20 30 CGEDHN N#Cc1ccc(NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000267385072 190326212 /nfs/dbraw/zinc/32/62/12/190326212.db2.gz MFFDFXHWXHFZJD-UHFFFAOYSA-N 0 3 292.386 3.030 20 30 CGEDHN COCC[C@@H](c1ccccc1)N1CCC(F)(C#N)CC1 ZINC000352480452 379830378 /nfs/dbraw/zinc/83/03/78/379830378.db2.gz CCTODYNMHSKQNV-HNNXBMFYSA-N 0 3 276.355 3.092 20 30 CGEDHN COc1cc(CN[C@H]2CCc3cc(F)ccc32)ccc1C#N ZINC000281567069 379839615 /nfs/dbraw/zinc/83/96/15/379839615.db2.gz CIGXBFZIDDVGEW-KRWDZBQOSA-N 0 3 296.345 3.483 20 30 CGEDHN C=CCCC[C@H](C)n1cc(CCN2CCCCC2)nn1 ZINC000641234399 379968821 /nfs/dbraw/zinc/96/88/21/379968821.db2.gz GBMDETUFMAGWOZ-HNNXBMFYSA-N 0 3 276.428 3.224 20 30 CGEDHN C[C@@H](CNCc1nc(C#N)cs1)Cc1cccs1 ZINC000352822347 379983459 /nfs/dbraw/zinc/98/34/59/379983459.db2.gz JYLWIRJJOLKSTA-SNVBAGLBSA-N 0 3 277.418 3.045 20 30 CGEDHN CC(C)(C)CC(C)(C)NCc1nc(C#N)cs1 ZINC000352840581 379997390 /nfs/dbraw/zinc/99/73/90/379997390.db2.gz NWUKVOOWZNVAOV-UHFFFAOYSA-N 0 3 251.399 3.319 20 30 CGEDHN N#Cc1csc(CN[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000352841914 379997403 /nfs/dbraw/zinc/99/74/03/379997403.db2.gz UFJOLGXVSMALRJ-GJZGRUSLSA-N 0 3 283.400 3.441 20 30 CGEDHN Cc1cc(C)cc(C[C@@H](C)NCc2nc(C#N)cs2)c1 ZINC000352841651 379997691 /nfs/dbraw/zinc/99/76/91/379997691.db2.gz VAMABRLKHWOXCH-CYBMUJFWSA-N 0 3 285.416 3.352 20 30 CGEDHN CCCN(CCN1CCCC1)Cc1cc(F)ccc1C#N ZINC000352891677 380021948 /nfs/dbraw/zinc/02/19/48/380021948.db2.gz DOCVWFHIOYKDOZ-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](COC(F)F)C1 ZINC000353023947 380078973 /nfs/dbraw/zinc/07/89/73/380078973.db2.gz GMTMITCEHXAWNQ-AAEUAGOBSA-N 0 3 280.318 3.180 20 30 CGEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CC2)s1 ZINC000353049662 380094493 /nfs/dbraw/zinc/09/44/93/380094493.db2.gz SXUHDVCCVXVSDS-UHFFFAOYSA-N 0 3 260.284 3.052 20 30 CGEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000411446983 380147395 /nfs/dbraw/zinc/14/73/95/380147395.db2.gz BHZDBYGCHGKODA-KBPBESRZSA-N 0 3 285.391 3.156 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc2n[nH]cc2c1 ZINC000353978426 380262294 /nfs/dbraw/zinc/26/22/94/380262294.db2.gz LAULUAGYXHAUPA-ZOWXZIJZSA-N 0 3 268.364 3.296 20 30 CGEDHN C=CCN(CC=C)[C@H](CNc1ccc(C#N)nc1)C(C)C ZINC000354204809 380363845 /nfs/dbraw/zinc/36/38/45/380363845.db2.gz PEAWCHSMNIZZKF-QGZVFWFLSA-N 0 3 284.407 3.064 20 30 CGEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCCC2)c(F)c1 ZINC000418128494 380707781 /nfs/dbraw/zinc/70/77/81/380707781.db2.gz QMONAWNOLDGURB-INIZCTEOSA-N 0 3 290.382 3.118 20 30 CGEDHN C=CCN(CC=C)C(=O)CNC1(c2cccc(C)c2)CCC1 ZINC000646021344 380803013 /nfs/dbraw/zinc/80/30/13/380803013.db2.gz XIAWHIJXBFQCDH-UHFFFAOYSA-N 0 3 298.430 3.164 20 30 CGEDHN C=C(C)CN1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420927104 380862970 /nfs/dbraw/zinc/86/29/70/380862970.db2.gz NXJTYWMJHKSPEW-OLZOCXBDSA-N 0 3 253.386 3.005 20 30 CGEDHN OCC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000421015144 380869567 /nfs/dbraw/zinc/86/95/67/380869567.db2.gz LETBTHPSDHBFPC-INIZCTEOSA-N 0 3 291.822 3.176 20 30 CGEDHN CC(C)n1ccc(C[C@H](C)NCc2ccc(C#N)s2)n1 ZINC000421351267 380888704 /nfs/dbraw/zinc/88/87/04/380888704.db2.gz NNNHDWMLGZDJOS-LBPRGKRZSA-N 0 3 288.420 3.118 20 30 CGEDHN C[C@H]1CCC[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000357730184 381267427 /nfs/dbraw/zinc/26/74/27/381267427.db2.gz ADQUMLOBFRIDOV-KBPBESRZSA-N 0 3 285.391 3.007 20 30 CGEDHN C=CCN(C(=O)c1ccc(CN(CC)C2CC2)cc1)C1CC1 ZINC000357946618 381286697 /nfs/dbraw/zinc/28/66/97/381286697.db2.gz WGEGRMWTBGFBOG-UHFFFAOYSA-N 0 3 298.430 3.462 20 30 CGEDHN C=CCC[C@@H](NCc1cn2ccsc2n1)C1CC1 ZINC000358090773 381291796 /nfs/dbraw/zinc/29/17/96/381291796.db2.gz UKRCBAGXCVYXSL-CYBMUJFWSA-N 0 3 261.394 3.230 20 30 CGEDHN C=C[C@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358314587 381302768 /nfs/dbraw/zinc/30/27/68/381302768.db2.gz FQBZGCIXEKUWDO-NWDGAFQWSA-N 0 3 273.380 3.196 20 30 CGEDHN C=C(CC)CN(CC)C[C@H]1COc2ccccc2O1 ZINC000358624782 381319321 /nfs/dbraw/zinc/31/93/21/381319321.db2.gz IASZVYRUCUVPER-AWEZNQCLSA-N 0 3 261.365 3.115 20 30 CGEDHN C=CCC[C@H](O)CN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000359653524 381360151 /nfs/dbraw/zinc/36/01/51/381360151.db2.gz WNADTLAQSJVPNG-FMKPAKJESA-N 0 3 289.419 3.330 20 30 CGEDHN Cn1cc(CN[C@@H](c2cccs2)C2CC2)cc1C#N ZINC000359949973 381384744 /nfs/dbraw/zinc/38/47/44/381384744.db2.gz NOABXCNGLFKGOI-OAHLLOKOSA-N 0 3 271.389 3.199 20 30 CGEDHN Cc1ccc(CN(Cc2ccco2)C(=O)C(C)C#N)s1 ZINC000360090264 381444663 /nfs/dbraw/zinc/44/46/63/381444663.db2.gz OQPNHZZHSYYZTE-LLVKDONJSA-N 0 3 288.372 3.338 20 30 CGEDHN C[C@@H](Cn1cccn1)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360650549 381607006 /nfs/dbraw/zinc/60/70/06/381607006.db2.gz YJBIFWWMZPFDOA-KBXCAEBGSA-N 0 3 294.402 3.201 20 30 CGEDHN N#Cc1ccc(CN(CCO)CC2CCCCC2)c(F)c1 ZINC000362517508 382031190 /nfs/dbraw/zinc/03/11/90/382031190.db2.gz AMWALNRSIOBVGV-UHFFFAOYSA-N 0 3 290.382 3.072 20 30 CGEDHN N#Cc1cccc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000362914801 382147404 /nfs/dbraw/zinc/14/74/04/382147404.db2.gz WERILIMDAVHGDL-UHFFFAOYSA-N 0 3 279.318 3.468 20 30 CGEDHN C=CCCCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000363592006 382236724 /nfs/dbraw/zinc/23/67/24/382236724.db2.gz JQIDLQNJWXXNHB-KRWDZBQOSA-N 0 3 286.419 3.076 20 30 CGEDHN C=CCN1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000363210666 382193251 /nfs/dbraw/zinc/19/32/51/382193251.db2.gz PRSZZKXBFNZKTF-GJZGRUSLSA-N 0 3 294.439 3.284 20 30 CGEDHN N#CCCCN1CCC[C@H](OCc2ccccc2F)C1 ZINC000366338440 382305856 /nfs/dbraw/zinc/30/58/56/382305856.db2.gz FDXOVKIDAJGLSA-HNNXBMFYSA-N 0 3 276.355 3.110 20 30 CGEDHN C#Cc1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000367377251 382346369 /nfs/dbraw/zinc/34/63/69/382346369.db2.gz IPBLUCNRAFOBMU-UHFFFAOYSA-N 0 3 269.388 3.059 20 30 CGEDHN C=CCCCCCN1CCCC[C@H]1CCS(C)(=O)=O ZINC000366447290 382308647 /nfs/dbraw/zinc/30/86/47/382308647.db2.gz ZVKXGBOQJVDFHQ-HNNXBMFYSA-N 0 3 287.469 3.022 20 30 CGEDHN C[C@H](Nc1ccc(C#N)cn1)[C@H](c1ccccc1)N(C)C ZINC000280938962 195037465 /nfs/dbraw/zinc/03/74/65/195037465.db2.gz IGGMOLQLYYZDIF-SUMWQHHRSA-N 0 3 280.375 3.057 20 30 CGEDHN C=CC[C@@H](C)N[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000282260308 542385482 /nfs/dbraw/zinc/38/54/82/542385482.db2.gz JWXCCUBMXWANIZ-CZUORRHYSA-N 0 3 255.365 3.064 20 30 CGEDHN CCN(CC)[C@@H](CNc1cc(C#N)ccn1)c1ccco1 ZINC000288519609 197101341 /nfs/dbraw/zinc/10/13/41/197101341.db2.gz REWVUNCZGROBBE-AWEZNQCLSA-N 0 3 284.363 3.041 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H]1CCSc2c(Cl)cccc21 ZINC000349756609 542526952 /nfs/dbraw/zinc/52/69/52/542526952.db2.gz IBCRYQVHQWBQTH-GXFFZTMASA-N 0 3 283.824 3.404 20 30 CGEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000347362377 533237068 /nfs/dbraw/zinc/23/70/68/533237068.db2.gz BSWFRLBTMAELES-QWHCGFSZSA-N 0 3 279.343 3.085 20 30 CGEDHN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccc(C#N)c(F)c1 ZINC000427980520 533432362 /nfs/dbraw/zinc/43/23/62/533432362.db2.gz UEGATGMKYVJNIU-BXUZGUMPSA-N 0 3 276.355 3.306 20 30 CGEDHN C[C@@H](NC[C@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358568474 533433479 /nfs/dbraw/zinc/43/34/79/533433479.db2.gz LEHGNRJUSJQMGI-BZPMIXESSA-N 0 3 276.355 3.163 20 30 CGEDHN C=CCOCCN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000380395160 542594982 /nfs/dbraw/zinc/59/49/82/542594982.db2.gz BQHGFVNDFBOBEP-GFCCVEGCSA-N 0 3 275.348 3.295 20 30 CGEDHN C[C@@](O)(CNCc1ccc(C#N)s1)C1CCCCC1 ZINC000191668377 130273815 /nfs/dbraw/zinc/27/38/15/130273815.db2.gz JEJFCQZJLICHOB-OAHLLOKOSA-N 0 3 278.421 3.041 20 30 CGEDHN CCc1ccccc1CNCc1ccc(C#N)cc1 ZINC000052202814 392075298 /nfs/dbraw/zinc/07/52/98/392075298.db2.gz IWTLEJOOFNLMBV-UHFFFAOYSA-N 0 3 250.345 3.410 20 30 CGEDHN CO[C@@H](CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000060528304 392122097 /nfs/dbraw/zinc/12/20/97/392122097.db2.gz YISVCUGILSRVRC-KRWDZBQOSA-N 0 3 266.344 3.036 20 30 CGEDHN C=CCSCCNCc1cc(F)c(F)c(F)c1 ZINC000222054627 130788033 /nfs/dbraw/zinc/78/80/33/130788033.db2.gz AKLWANZTPFTWJU-UHFFFAOYSA-N 0 3 261.312 3.113 20 30 CGEDHN C=CCCCN(C)Cc1ccccc1OCCOC ZINC000093533645 392238845 /nfs/dbraw/zinc/23/88/45/392238845.db2.gz HDEGMVXGCBLJPE-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C=CCC[C@@H](N[C@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC000282039391 392275389 /nfs/dbraw/zinc/27/53/89/392275389.db2.gz QTNHQLIPMDLFON-SJORKVTESA-N 0 3 284.403 3.070 20 30 CGEDHN C=CCN(CCc1ccco1)CC1(COC)CCC1 ZINC000361356455 392280395 /nfs/dbraw/zinc/28/03/95/392280395.db2.gz RHQDPUZJHDVXLW-UHFFFAOYSA-N 0 3 263.381 3.127 20 30 CGEDHN C[C@H]1CSC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000285938583 392352022 /nfs/dbraw/zinc/35/20/22/392352022.db2.gz MAWPOWJMEYLEKX-FZMZJTMJSA-N 0 3 299.361 3.398 20 30 CGEDHN C=CCC[C@H](NC[C@](C)(O)CCC)c1ccco1 ZINC000285906275 392347892 /nfs/dbraw/zinc/34/78/92/392347892.db2.gz CYVUBXQTFLACID-DZGCQCFKSA-N 0 3 251.370 3.428 20 30 CGEDHN C#C[C@@H](N[C@H](C)CC(=O)Nc1ccccc1CC)C(C)C ZINC000289650301 392428495 /nfs/dbraw/zinc/42/84/95/392428495.db2.gz XZANQXLSONYSOF-GDBMZVCRSA-N 0 3 286.419 3.214 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000291641635 392473884 /nfs/dbraw/zinc/47/38/84/392473884.db2.gz BODOSKCJYOYCCY-MRXNPFEDSA-N 0 3 295.361 3.066 20 30 CGEDHN Cc1nc(NC[C@@H](c2ccsc2)N(C)C)ccc1C#N ZINC000291648741 392475736 /nfs/dbraw/zinc/47/57/36/392475736.db2.gz NKRNUCOKGWADIH-AWEZNQCLSA-N 0 3 286.404 3.038 20 30 CGEDHN N#CCSCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374308679 392676613 /nfs/dbraw/zinc/67/66/13/392676613.db2.gz GUWVJAHMPMRCCF-UHFFFAOYSA-N 0 3 297.427 3.294 20 30 CGEDHN CN(CCCC(C)(C)C#N)Cc1ccc([S@](C)=O)cc1 ZINC000178409358 392679223 /nfs/dbraw/zinc/67/92/23/392679223.db2.gz WFAHVEXIHMFQKC-FQEVSTJZSA-N 0 3 292.448 3.186 20 30 CGEDHN N#Cc1ccnc(N2CCN(CC3CCCCCC3)CC2)c1 ZINC000506663957 392729737 /nfs/dbraw/zinc/72/97/37/392729737.db2.gz TYOMOXXRVCZTPQ-UHFFFAOYSA-N 0 3 298.434 3.046 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@H]1CCCC[C@@H]1O ZINC000181460892 392730438 /nfs/dbraw/zinc/73/04/38/392730438.db2.gz ABQNINGDNZDQQP-WBVHZDCISA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCN(Cc1ccc(N)nc1)CC1CCCCC1 ZINC000647516076 392747953 /nfs/dbraw/zinc/74/79/53/392747953.db2.gz JTNPVASQGAVBRY-UHFFFAOYSA-N 0 3 259.397 3.062 20 30 CGEDHN C=C(C)CN1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183499918 392756868 /nfs/dbraw/zinc/75/68/68/392756868.db2.gz OWAQBTWLFWAXJE-CQSZACIVSA-N 0 3 274.408 3.083 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCc2cccc(Br)c2)C1 ZINC000335620179 392802850 /nfs/dbraw/zinc/80/28/50/392802850.db2.gz OHTDVVFFDFPOLZ-MFKMUULPSA-N 0 3 279.181 3.231 20 30 CGEDHN C[C@H]1CC[C@@H](CN(Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000190460474 392815563 /nfs/dbraw/zinc/81/55/63/392815563.db2.gz BHLKVLWRASRMPA-GUYCJALGSA-N 0 3 270.376 3.090 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CCC(OCc3ccccc3)CC2)C1 ZINC000338886866 392934005 /nfs/dbraw/zinc/93/40/05/392934005.db2.gz ONTIJEWWYSYEML-DLBZAZTESA-N 0 3 284.403 3.360 20 30 CGEDHN C=CCOCCN1CCC(OC2CCC(C)CC2)CC1 ZINC000338980638 392937603 /nfs/dbraw/zinc/93/76/03/392937603.db2.gz BQYZMTHDPPQWAJ-UHFFFAOYSA-N 0 3 281.440 3.249 20 30 CGEDHN CC(C)[C@@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000339077920 392946088 /nfs/dbraw/zinc/94/60/88/392946088.db2.gz YQDGSZROQAVRAD-OAHLLOKOSA-N 0 3 282.334 3.182 20 30 CGEDHN CCOC1(CNCc2ccc(C#N)c(F)c2)CCCC1 ZINC000404155991 392963172 /nfs/dbraw/zinc/96/31/72/392963172.db2.gz VVAHWABBKHSGCM-UHFFFAOYSA-N 0 3 276.355 3.136 20 30 CGEDHN C[C@H](CCC#N)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411790109 392988877 /nfs/dbraw/zinc/98/88/77/392988877.db2.gz GIRKTSBNWHLPRK-HIFRSBDPSA-N 0 3 287.363 3.466 20 30 CGEDHN CO[C@@](C)([C@@H](C)NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000411978022 392993102 /nfs/dbraw/zinc/99/31/02/392993102.db2.gz YNHAXYWOZRJMGC-DYVFJYSZSA-N 0 3 291.822 3.485 20 30 CGEDHN CCCc1cccc(CN2CCC(C#N)(COC)CC2)c1 ZINC000342841836 393011117 /nfs/dbraw/zinc/01/11/17/393011117.db2.gz SYMSPXORWNKCTD-UHFFFAOYSA-N 0 3 286.419 3.391 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCc2nc3ccccc3s2)C1 ZINC000348902403 393134090 /nfs/dbraw/zinc/13/40/90/393134090.db2.gz CECMDHACPTXVAN-NWDGAFQWSA-N 0 3 271.389 3.121 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2cc(Cl)cnc2o1 ZINC000648763535 393242179 /nfs/dbraw/zinc/24/21/79/393242179.db2.gz BNEGPGOLOLQXQL-KGLIPLIRSA-N 0 3 292.766 3.304 20 30 CGEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000470948094 393267331 /nfs/dbraw/zinc/26/73/31/393267331.db2.gz KHGVURNUXVIYBX-FZMZJTMJSA-N 0 3 298.308 3.210 20 30 CGEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000470953808 393269315 /nfs/dbraw/zinc/26/93/15/393269315.db2.gz SNUNMYVMMRSEQU-RISCZKNCSA-N 0 3 298.308 3.210 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1F)[C@H]1CCC[C@H]1C ZINC000488100817 393457718 /nfs/dbraw/zinc/45/77/18/393457718.db2.gz ZGESRDDXRGGHJX-DYVFJYSZSA-N 0 3 290.382 3.334 20 30 CGEDHN COCCN(Cc1ccc(C#N)cc1F)[C@@H]1CCC[C@@H]1C ZINC000488100828 393457848 /nfs/dbraw/zinc/45/78/48/393457848.db2.gz ZGESRDDXRGGHJX-SUMWQHHRSA-N 0 3 290.382 3.334 20 30 CGEDHN C=C(CC)CN1CCc2ccc(C(C)=O)cc2CC1 ZINC000358868004 393528235 /nfs/dbraw/zinc/52/82/35/393528235.db2.gz FSVZNAZCSPICPB-UHFFFAOYSA-N 0 3 257.377 3.256 20 30 CGEDHN CC(C)CN(C(=O)C(C)C#N)[C@@H]1CCCc2cccnc21 ZINC000358933995 393529518 /nfs/dbraw/zinc/52/95/18/393529518.db2.gz MDKIOJYAKIBRSR-UKRRQHHQSA-N 0 3 285.391 3.103 20 30 CGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cccc(C#N)c1F ZINC000360708672 393574276 /nfs/dbraw/zinc/57/42/76/393574276.db2.gz WHBAEAQBJCBILV-HOTGVXAUSA-N 0 3 290.382 3.381 20 30 CGEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCCCC#N)C1 ZINC000491098526 393665517 /nfs/dbraw/zinc/66/55/17/393665517.db2.gz PVUVRMPOVBYXQD-AWEZNQCLSA-N 0 3 295.427 3.012 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)cccc1OC ZINC000435747185 393715369 /nfs/dbraw/zinc/71/53/69/393715369.db2.gz FIDUNRSPGGTTOP-LRDDRELGSA-N 0 3 295.810 3.419 20 30 CGEDHN CO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000449634385 393929663 /nfs/dbraw/zinc/92/96/63/393929663.db2.gz RCHZXOIHOXHYKK-IAGOWNOFSA-N 0 3 284.403 3.256 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)C2CCC3(CC3)CC2)CC1 ZINC000668370150 543007604 /nfs/dbraw/zinc/00/76/04/543007604.db2.gz PADFDOBDKOCSRS-UHFFFAOYSA-N 0 3 290.451 3.114 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000668493357 543020522 /nfs/dbraw/zinc/02/05/22/543020522.db2.gz NGIYPVUMXJICSL-INIZCTEOSA-N 0 3 296.418 3.364 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000668492462 543020579 /nfs/dbraw/zinc/02/05/79/543020579.db2.gz BLYCJAYGXAFSDQ-ZDUSSCGKSA-N 0 3 255.365 3.351 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1OC ZINC000668676029 543043051 /nfs/dbraw/zinc/04/30/51/543043051.db2.gz LLLMISQXYCKMBD-HUUCEWRRSA-N 0 3 273.376 3.102 20 30 CGEDHN C=CC[C@@H]1CC[C@H](N[C@H](CO)c2ccc(F)cc2F)C1 ZINC000668754415 543056185 /nfs/dbraw/zinc/05/61/85/543056185.db2.gz MTRRRMTYUBWFPK-PVXIVEMSSA-N 0 3 281.346 3.333 20 30 CGEDHN CCC#C[C@@H](C)N1CCC(N2CCc3ccccc32)CC1 ZINC000669694834 543119172 /nfs/dbraw/zinc/11/91/72/543119172.db2.gz ARZPIZVQMOXZIB-MRXNPFEDSA-N 0 3 282.431 3.315 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]1C ZINC000488303450 397707239 /nfs/dbraw/zinc/70/72/39/397707239.db2.gz UUXDQXATBMWOPR-OCCSQVGLSA-N 0 3 260.337 3.239 20 30 CGEDHN COCC#CCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000649876452 397742002 /nfs/dbraw/zinc/74/20/02/397742002.db2.gz BHSZUNRNPYCAJT-HNNXBMFYSA-N 0 3 281.758 3.170 20 30 CGEDHN CCN(CC#Cc1cccc(Cl)c1)C[C@H]1CCOC1 ZINC000676557282 543404403 /nfs/dbraw/zinc/40/44/03/543404403.db2.gz PQLSCZLWKANEJL-OAHLLOKOSA-N 0 3 277.795 3.050 20 30 CGEDHN CCN(CC#Cc1cccc(Cl)c1)C[C@@H]1CCOC1 ZINC000676557281 543404822 /nfs/dbraw/zinc/40/48/22/543404822.db2.gz PQLSCZLWKANEJL-HNNXBMFYSA-N 0 3 277.795 3.050 20 30 CGEDHN CC[C@H]1CN(CC#CCOC)CC[C@H]1c1ccccc1 ZINC000677133035 543435857 /nfs/dbraw/zinc/43/58/57/543435857.db2.gz DUBYOPKPXQPKNZ-FUHWJXTLSA-N 0 3 271.404 3.152 20 30 CGEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087770947 165190859 /nfs/dbraw/zinc/19/08/59/165190859.db2.gz OJMBCRFSGBBAKP-BBRMVZONSA-N 0 3 258.340 3.462 20 30 CGEDHN COc1ccc([C@H]2CCN(Cc3ccc(C#N)o3)C2)cc1 ZINC000092783307 165312174 /nfs/dbraw/zinc/31/21/74/165312174.db2.gz XYEXOWISTNEIAU-AWEZNQCLSA-N 0 3 282.343 3.149 20 30 CGEDHN C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(C#N)cc1 ZINC000020122202 171003039 /nfs/dbraw/zinc/00/30/39/171003039.db2.gz RJRUBESZANQIHE-CJNGLKHVSA-N 0 3 283.375 3.105 20 30 CGEDHN C=CCOCCN[C@@H](C)c1ccccc1OC(F)(F)F ZINC000679575968 543648030 /nfs/dbraw/zinc/64/80/30/543648030.db2.gz FSQVVCYZDZREQO-NSHDSACASA-N 0 3 289.297 3.438 20 30 CGEDHN C=CCOCCN[C@@H](C)c1sc(C(C)C)nc1C ZINC000679576935 543649040 /nfs/dbraw/zinc/64/90/40/543649040.db2.gz YZZFRFXTJYBWBX-NSHDSACASA-N 0 3 268.426 3.428 20 30 CGEDHN C=CCNC(=O)CN[C@H](CC)c1cccc2ccccc21 ZINC000682138347 543828732 /nfs/dbraw/zinc/82/87/32/543828732.db2.gz GRYBDVPJKQUXAT-QGZVFWFLSA-N 0 3 282.387 3.183 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CN)c1 ZINC000659017528 418956412 /nfs/dbraw/zinc/95/64/12/418956412.db2.gz FTBXWZNNLMTWDV-HOCLYGCPSA-N 0 3 287.407 3.402 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@@]2(C)CC(C)C)nn1 ZINC000653723860 419075607 /nfs/dbraw/zinc/07/56/07/419075607.db2.gz FZIIYNHDCMNFRB-INIZCTEOSA-N 0 3 276.428 3.255 20 30 CGEDHN C=CC[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000661379857 419255270 /nfs/dbraw/zinc/25/52/70/419255270.db2.gz IYLSBGQWLRGNTI-YJBOKZPZSA-N 0 3 298.430 3.294 20 30 CGEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1F)C(C)C ZINC000661484642 419264044 /nfs/dbraw/zinc/26/40/44/419264044.db2.gz MIHOANGSKOKLEC-XJKSGUPXSA-N 0 3 265.372 3.440 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(N)c2ccccc2n1 ZINC000661117583 419232203 /nfs/dbraw/zinc/23/22/03/419232203.db2.gz SFXRZOYIBGZCQG-HIFRSBDPSA-N 0 3 296.418 3.437 20 30 CGEDHN C=CCOCCNCc1ccc(OCCC)cc1C ZINC000657429532 419277137 /nfs/dbraw/zinc/27/71/37/419277137.db2.gz JNONQBGLJQBHQT-UHFFFAOYSA-N 0 3 263.381 3.076 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)CCCC(F)(F)F)nn1 ZINC000657445748 419280654 /nfs/dbraw/zinc/28/06/54/419280654.db2.gz ALFIBZLEOZTORW-NSHDSACASA-N 0 3 290.333 3.065 20 30 CGEDHN C=CCCn1cc(CNC[C@H](c2ccccc2)C2CC2)nn1 ZINC000657472975 419286697 /nfs/dbraw/zinc/28/66/97/419286697.db2.gz CUVREKQMVQPXEY-GOSISDBHSA-N 0 3 296.418 3.138 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)CCC=C(C)C)nn1 ZINC000657478042 419288089 /nfs/dbraw/zinc/28/80/89/419288089.db2.gz CTVFZNDDCOENEJ-AWEZNQCLSA-N 0 3 262.401 3.079 20 30 CGEDHN C=CCCn1cc(CNCC2(CC=C)CCCC2)nn1 ZINC000657485064 419290980 /nfs/dbraw/zinc/29/09/80/419290980.db2.gz HIYVEWMZPZQAIJ-UHFFFAOYSA-N 0 3 274.412 3.080 20 30 CGEDHN C=CC[C@H]1CC[C@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000657554990 419302869 /nfs/dbraw/zinc/30/28/69/419302869.db2.gz RYEQUFUEKZCXBJ-JQWIXIFHSA-N 0 3 285.313 3.330 20 30 CGEDHN C=CCCNCc1cccc(OCC)c1OC(F)F ZINC000657582514 419309842 /nfs/dbraw/zinc/30/98/42/419309842.db2.gz RBHYYHVOASZJGL-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN C=CCCn1cc(CNCC2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000657589101 419311937 /nfs/dbraw/zinc/31/19/37/419311937.db2.gz FEHZDOYIXYMBFT-KBPBESRZSA-N 0 3 276.428 3.016 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CCCC2=O)CC1 ZINC000661957692 419315033 /nfs/dbraw/zinc/31/50/33/419315033.db2.gz LBRCFIGFIUZBTH-AWEZNQCLSA-N 0 3 282.387 3.454 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000657629788 419315977 /nfs/dbraw/zinc/31/59/77/419315977.db2.gz JVDBGIHQTMPTDQ-HNNXBMFYSA-N 0 3 273.376 3.053 20 30 CGEDHN C=CCOCCN1CCC2(CCc3ccccc3O2)CC1 ZINC000662048978 419328681 /nfs/dbraw/zinc/32/86/81/419328681.db2.gz MYLOWDVHJNDOBQ-UHFFFAOYSA-N 0 3 287.403 3.049 20 30 CGEDHN C=CCC1(NCc2ccc(S(C)(=O)=O)s2)CCCC1 ZINC000657703110 419329933 /nfs/dbraw/zinc/32/99/33/419329933.db2.gz TUPLNRNVKQZVNS-UHFFFAOYSA-N 0 3 299.461 3.130 20 30 CGEDHN Cc1cccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c1 ZINC000330266468 228085491 /nfs/dbraw/zinc/08/54/91/228085491.db2.gz PYTPWWALXIGRIT-RCBQFDQVSA-N 0 3 288.391 3.129 20 30 CGEDHN Cc1cccc(CN(Cc2ccccn2)C(=O)C(C)C#N)c1 ZINC000353774378 228152675 /nfs/dbraw/zinc/15/26/75/228152675.db2.gz CAPFGURZHMNNEL-HNNXBMFYSA-N 0 3 293.370 3.079 20 30 CGEDHN C=CCCC(C)(C)NCc1nc2ccccc2n1C ZINC000657805128 419360479 /nfs/dbraw/zinc/36/04/79/419360479.db2.gz KYTDDGSTGMLIKH-UHFFFAOYSA-N 0 3 257.381 3.408 20 30 CGEDHN C=CCOc1ccc(CN[C@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000657817140 419367227 /nfs/dbraw/zinc/36/72/27/419367227.db2.gz MQIUQIRJGLLQHK-BEFAXECRSA-N 0 3 297.398 3.463 20 30 CGEDHN C=CCC[C@H](NCc1nccc(OC)c1F)C1CC1 ZINC000658228019 419685771 /nfs/dbraw/zinc/68/57/71/419685771.db2.gz MHXHHLBOCPUGNT-LBPRGKRZSA-N 0 3 264.344 3.064 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(F)c(OC)c1 ZINC000090450930 260359945 /nfs/dbraw/zinc/35/99/45/260359945.db2.gz MGRBXVWKTNTSOG-GFCCVEGCSA-N 0 3 267.344 3.078 20 30 CGEDHN C[C@@H](CNC1CC(C#N)(c2ccccc2)C1)c1nccs1 ZINC000129686277 260388649 /nfs/dbraw/zinc/38/86/49/260388649.db2.gz OQZZBEYJFFVGGN-KTAKPFMOSA-N 0 3 297.427 3.460 20 30 CGEDHN COc1cccc(Cl)c1CNCCCCC#N ZINC000172419039 261154460 /nfs/dbraw/zinc/15/44/60/261154460.db2.gz IENMSVBVISADFE-UHFFFAOYSA-N 0 3 252.745 3.132 20 30 CGEDHN CCc1nc(CNCC(C)(C)CCC#N)cs1 ZINC000174370258 261184464 /nfs/dbraw/zinc/18/44/64/261184464.db2.gz OVHIWEGREVYCKX-UHFFFAOYSA-N 0 3 251.399 3.125 20 30 CGEDHN N#CCC[C@@H](C#N)CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191888203 262196319 /nfs/dbraw/zinc/19/63/19/262196319.db2.gz WLTSRMRCLQIFLF-KSZLIROESA-N 0 3 281.403 3.431 20 30 CGEDHN N#C[C@H]1CCC[C@H](NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000192593818 262205798 /nfs/dbraw/zinc/20/57/98/262205798.db2.gz JWWHNDJOQMGUIT-HRCADAONSA-N 0 3 287.407 3.088 20 30 CGEDHN COCc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000192632570 262206413 /nfs/dbraw/zinc/20/64/13/262206413.db2.gz BSFSXKWUUMHUPA-BBRMVZONSA-N 0 3 258.365 3.005 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000020127946 262231004 /nfs/dbraw/zinc/23/10/04/262231004.db2.gz MHWBDTSJNWPPEN-AWEZNQCLSA-N 0 3 268.360 3.497 20 30 CGEDHN C=CCCOCCNCc1ccccc1OC(C)C ZINC000120886250 262239165 /nfs/dbraw/zinc/23/91/65/262239165.db2.gz AZMLMNZBIHLPOX-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H](O)CC(F)(F)F ZINC000188592481 262322296 /nfs/dbraw/zinc/32/22/96/262322296.db2.gz ZCZOKJZFEFTHCK-JTQLQIEISA-N 0 3 279.327 3.049 20 30 CGEDHN CC(C)(CCC#N)CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365626570 262376164 /nfs/dbraw/zinc/37/61/64/262376164.db2.gz XQPWKVDCUABTKW-GJZGRUSLSA-N 0 3 276.424 3.350 20 30 CGEDHN C=CCOCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000336809097 262396374 /nfs/dbraw/zinc/39/63/74/262396374.db2.gz TUCNOPFGHXADQS-ZDUSSCGKSA-N 0 3 273.298 3.472 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000436295786 262835797 /nfs/dbraw/zinc/83/57/97/262835797.db2.gz HPJINXLPFMIREE-MRRJBJDNSA-N 0 3 288.366 3.329 20 30 CGEDHN COc1ccc(CNCc2ccc(OCC#N)cc2)cc1C ZINC000264386465 262888256 /nfs/dbraw/zinc/88/82/56/262888256.db2.gz QPEYQLGMGRTZAC-UHFFFAOYSA-N 0 3 296.370 3.196 20 30 CGEDHN CC(C)(C#N)CCN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000272058797 263001660 /nfs/dbraw/zinc/00/16/60/263001660.db2.gz WFEWBCWPYRWYGQ-KBPBESRZSA-N 0 3 276.380 3.107 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000274173404 263021637 /nfs/dbraw/zinc/02/16/37/263021637.db2.gz CIRTUQOTTOPFAL-YNEHKIRRSA-N 0 3 273.336 3.328 20 30 CGEDHN CCCN(CC(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279754773 263057344 /nfs/dbraw/zinc/05/73/44/263057344.db2.gz QSMHOKZGBYBTNG-KRWDZBQOSA-N 0 3 297.402 3.135 20 30 CGEDHN C=CCCCCCN1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000366594615 263067980 /nfs/dbraw/zinc/06/79/80/263067980.db2.gz SQVMTSATKSNIOE-JKSUJKDBSA-N 0 3 267.413 3.003 20 30 CGEDHN N#CCC1(CNCc2ccc(Br)cc2)CC1 ZINC000083853699 263081231 /nfs/dbraw/zinc/08/12/31/263081231.db2.gz YVTVSSWKJKMNOA-UHFFFAOYSA-N 0 3 279.181 3.233 20 30 CGEDHN CN(CCCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285195909 263091138 /nfs/dbraw/zinc/09/11/38/263091138.db2.gz CRWSHSFYVJRLGS-UHFFFAOYSA-N 0 3 286.297 3.363 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H](CCO)c2ccc(Cl)cc2)C1 ZINC000287057609 263100847 /nfs/dbraw/zinc/10/08/47/263100847.db2.gz NFXYARUNSUBXJC-UHOFOFEASA-N 0 3 292.810 3.435 20 30 CGEDHN COC[C@H](NCCCCC#N)c1cccc(Cl)c1F ZINC000287889515 263103093 /nfs/dbraw/zinc/10/30/93/263103093.db2.gz YWNRLNRJIHKFDM-ZDUSSCGKSA-N 0 3 284.762 3.450 20 30 CGEDHN CC[C@](C)(C#N)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000288546235 263104871 /nfs/dbraw/zinc/10/48/71/263104871.db2.gz IISATLFSFZRZGH-GOSISDBHSA-N 0 3 299.418 3.469 20 30 CGEDHN C[C@H](NCCOCCC#N)c1cc2ccccc2o1 ZINC000294649979 263165306 /nfs/dbraw/zinc/16/53/06/263165306.db2.gz QPKWYGPBJJUSOF-LBPRGKRZSA-N 0 3 258.321 3.014 20 30 CGEDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295014250 263170745 /nfs/dbraw/zinc/17/07/45/263170745.db2.gz JUWZYJRCGHYHKX-AVGNSLFASA-N 0 3 274.364 3.134 20 30 CGEDHN COc1ccccc1O[C@@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000298507051 263220549 /nfs/dbraw/zinc/22/05/49/263220549.db2.gz KLVGGJLQWDKJSG-LSDHHAIUSA-N 0 3 288.391 3.231 20 30 CGEDHN CCOc1cc(C[NH2+]CCCCC#N)cc(Cl)c1[O-] ZINC000298561893 263221745 /nfs/dbraw/zinc/22/17/45/263221745.db2.gz WAWBXOMVDSSKRC-UHFFFAOYSA-N 0 3 282.771 3.228 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@H](COc2ccccc2)C1 ZINC000298826279 263226727 /nfs/dbraw/zinc/22/67/27/263226727.db2.gz GMXBYHSTAYZSNV-GJZGRUSLSA-N 0 3 258.365 3.080 20 30 CGEDHN COCc1ccc([C@@H]2CCCN2[C@@H](C)CCC#N)o1 ZINC000299241726 263236213 /nfs/dbraw/zinc/23/62/13/263236213.db2.gz JEHMHHCRHZKSEW-JSGCOSHPSA-N 0 3 262.353 3.255 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccccc1SC ZINC000453335515 263240148 /nfs/dbraw/zinc/24/01/48/263240148.db2.gz AHLQHBJYJGEJBY-CHWSQXEVSA-N 0 3 265.422 3.386 20 30 CGEDHN C=CCN(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000121366562 263294761 /nfs/dbraw/zinc/29/47/61/263294761.db2.gz VTVOEJPXMKLICH-UHFFFAOYSA-N 0 3 287.190 3.440 20 30 CGEDHN C=CC[C@H](CC)NCc1ccn(-c2ccccc2)n1 ZINC000341426535 263337070 /nfs/dbraw/zinc/33/70/70/263337070.db2.gz CMPFCJTUJPEKSC-AWEZNQCLSA-N 0 3 255.365 3.317 20 30 CGEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000341950697 263367833 /nfs/dbraw/zinc/36/78/33/263367833.db2.gz XSEMGAJSRDIRFB-SWLSCSKDSA-N 0 3 288.391 3.413 20 30 CGEDHN COCC1(C#N)CCN(CCCC2CCCC2)CC1 ZINC000341981784 263369881 /nfs/dbraw/zinc/36/98/81/263369881.db2.gz RDKSCLVQGDFXAK-UHFFFAOYSA-N 0 3 264.413 3.209 20 30 CGEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC000330674338 264014093 /nfs/dbraw/zinc/01/40/93/264014093.db2.gz QGZITEUZUPTSPG-LBPRGKRZSA-N 0 3 293.411 3.151 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NC1CCCCC1 ZINC000331169705 264145803 /nfs/dbraw/zinc/14/58/03/264145803.db2.gz CEXYZDWVEKOYPT-HNNXBMFYSA-N 0 3 270.376 3.208 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(C3CC3)cc2F)C1 ZINC000425961466 264227551 /nfs/dbraw/zinc/22/75/51/264227551.db2.gz SWUKRPWPIHIRAV-IAQYHMDHSA-N 0 3 258.340 3.485 20 30 CGEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000070754215 264236484 /nfs/dbraw/zinc/23/64/84/264236484.db2.gz MYDVXVLJVYLBMQ-KGLIPLIRSA-N 0 3 282.387 3.181 20 30 CGEDHN C=C[C@@H](CC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000127397022 264255765 /nfs/dbraw/zinc/25/57/65/264255765.db2.gz MIQIUNSYJBTLDS-HNNXBMFYSA-N 0 3 298.430 3.089 20 30 CGEDHN C=CCN(CCCn1ccnc1)Cc1ccc(OCC)cc1 ZINC000161246489 264279385 /nfs/dbraw/zinc/27/93/85/264279385.db2.gz QKWNDYBQPDUZKV-UHFFFAOYSA-N 0 3 299.418 3.360 20 30 CGEDHN C=CCSCCN[C@@H](C)c1ccc(Cl)nc1 ZINC000129364357 264323611 /nfs/dbraw/zinc/32/36/11/264323611.db2.gz AQEVKWKAWSJXNQ-JTQLQIEISA-N 0 3 256.802 3.305 20 30 CGEDHN C=CCC[C@H](NCC(=O)N[C@H](C)CC)c1ccccc1 ZINC000180043362 264394745 /nfs/dbraw/zinc/39/47/45/264394745.db2.gz NJECMOBJRHYYBY-ZBFHGGJFSA-N 0 3 274.408 3.198 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OC)c(OCC)c2)cc1 ZINC000290406192 264785245 /nfs/dbraw/zinc/78/52/45/264785245.db2.gz PTSCXZCJWILMFD-UHFFFAOYSA-N 0 3 295.382 3.365 20 30 CGEDHN C=CCN1CC[C@@H](N[C@H](C)c2cccc(C3CC3)c2)C1=O ZINC000295543662 265029817 /nfs/dbraw/zinc/02/98/17/265029817.db2.gz WMMGYOUGBYOUMX-CXAGYDPISA-N 0 3 284.403 3.002 20 30 CGEDHN CCN(CCNCc1ccc(C#N)cc1)c1ccccc1C ZINC000236871060 266126659 /nfs/dbraw/zinc/12/66/59/266126659.db2.gz FNXVTVXFSJVOSQ-UHFFFAOYSA-N 0 3 293.414 3.483 20 30 CGEDHN C=CCCC1(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000356542110 266134024 /nfs/dbraw/zinc/13/40/24/266134024.db2.gz NFVGKVOFMZHXNS-SJORKVTESA-N 0 3 298.430 3.294 20 30 CGEDHN C[C@@H]1[C@H](C)N(Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000356996710 266228574 /nfs/dbraw/zinc/22/85/74/266228574.db2.gz HQSHNTFEVJXTPR-CABCVRRESA-N 0 3 285.435 3.012 20 30 CGEDHN CC(C#N)C(=O)N(C)CCc1cccc2ccccc21 ZINC000357790025 266363489 /nfs/dbraw/zinc/36/34/89/266363489.db2.gz KIXBGIPZTDNZOT-CYBMUJFWSA-N 0 3 266.344 3.000 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000357840170 266375387 /nfs/dbraw/zinc/37/53/87/266375387.db2.gz XQDWIWHZISCCDE-CQSZACIVSA-N 0 3 294.354 3.041 20 30 CGEDHN C=CCC[C@H](NCC1(O)Cc2ccccc2C1)c1ccco1 ZINC000367614164 267104804 /nfs/dbraw/zinc/10/48/04/267104804.db2.gz HNVPPJQNWIJYNN-KRWDZBQOSA-N 0 3 297.398 3.406 20 30 CGEDHN CC(C)(C#N)CCCN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000368070368 267143489 /nfs/dbraw/zinc/14/34/89/267143489.db2.gz CPSPWWVMSSHDKS-UONOGXRCSA-N 0 3 264.413 3.206 20 30 CGEDHN C#CCN(C)[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000369291304 267232512 /nfs/dbraw/zinc/23/25/12/267232512.db2.gz YCDFGTXPPFSTBI-MRXNPFEDSA-N 0 3 277.795 3.373 20 30 CGEDHN C(#Cc1ccccc1)CN1CC[C@H](c2ccco2)C1 ZINC000370683519 267339110 /nfs/dbraw/zinc/33/91/10/267339110.db2.gz JUNHXCYUJVRPGL-INIZCTEOSA-N 0 3 251.329 3.121 20 30 CGEDHN C[C@@H](CCc1ccc(F)cc1)NCC1(C#N)CCC1 ZINC000418145364 267366744 /nfs/dbraw/zinc/36/67/44/267366744.db2.gz XQLACKBVXIHUQT-ZDUSSCGKSA-N 0 3 260.356 3.430 20 30 CGEDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1(C#N)CCC1 ZINC000418136027 267367273 /nfs/dbraw/zinc/36/72/73/267367273.db2.gz BSEDYEXTUPEATI-ZDUSSCGKSA-N 0 3 287.363 3.199 20 30 CGEDHN C=CCCCCCN1CCCN(C(=O)c2ccoc2)CC1 ZINC000377105496 268048296 /nfs/dbraw/zinc/04/82/96/268048296.db2.gz WOQOGRIMYYKGTH-UHFFFAOYSA-N 0 3 290.407 3.174 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2CCN2C2CCCCC2)s1 ZINC000527750769 268233364 /nfs/dbraw/zinc/23/33/64/268233364.db2.gz FMQHJRWOOZTTHO-CQSZACIVSA-N 0 3 289.448 3.116 20 30 CGEDHN COc1ccc(C#N)cc1CN(C)C1Cc2ccccc2C1 ZINC000532605864 270217574 /nfs/dbraw/zinc/21/75/74/270217574.db2.gz ITXJGTWYAMLFFG-UHFFFAOYSA-N 0 3 292.382 3.166 20 30 CGEDHN N#Cc1ccc(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(F)c1 ZINC000532987238 270220789 /nfs/dbraw/zinc/22/07/89/270220789.db2.gz FRJJVWYXRCTPAC-ZHALLVOQSA-N 0 3 292.357 3.373 20 30 CGEDHN CSC[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356193263 274177838 /nfs/dbraw/zinc/17/78/38/274177838.db2.gz VZVKMZYUNIPKKD-VIFPVBQESA-N 0 3 288.338 3.418 20 30 CGEDHN CC1(C)[C@H](NCC#Cc2cccc(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000295837615 275889535 /nfs/dbraw/zinc/88/95/35/275889535.db2.gz CTSXWBLHANMMQB-XHSDSOJGSA-N 0 3 289.806 3.095 20 30 CGEDHN Cc1nc(NC(C)(C)CN2CCCC2)c(Cl)cc1C#N ZINC000308663566 293339087 /nfs/dbraw/zinc/33/90/87/293339087.db2.gz DSMICESPVIKTNA-UHFFFAOYSA-N 0 3 292.814 3.201 20 30 CGEDHN C[C@@H](C#N)CNC[C@H](C)c1cccc(Br)c1 ZINC000183837833 327766295 /nfs/dbraw/zinc/76/62/95/327766295.db2.gz VOACQDMBRFMACO-QWRGUYRKSA-N 0 3 281.197 3.302 20 30 CGEDHN COc1cc(C)cc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185866674 327848857 /nfs/dbraw/zinc/84/88/57/327848857.db2.gz PWHLJGGYQWKLRW-UKRRQHHQSA-N 0 3 258.365 3.176 20 30 CGEDHN COC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000494762928 327904508 /nfs/dbraw/zinc/90/45/08/327904508.db2.gz MUVDSXFWDWUSID-UGFHNGPFSA-N 0 3 278.783 3.309 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCNc2ccccc21 ZINC000193022946 327914502 /nfs/dbraw/zinc/91/45/02/327914502.db2.gz FUWIFYNWHMVKFO-INIZCTEOSA-N 0 3 260.381 3.116 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000320352345 328018429 /nfs/dbraw/zinc/01/84/29/328018429.db2.gz CTHLZZHSLNHVJH-GXTWGEPZSA-N 0 3 259.349 3.411 20 30 CGEDHN N#CCCCN1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651131 329067459 /nfs/dbraw/zinc/06/74/59/329067459.db2.gz HLXKYKYCXRZIRV-UHFFFAOYSA-N 0 3 261.344 3.006 20 30 CGEDHN Cc1cc(NCC(C)(C)CC#N)c2ccccc2n1 ZINC000413414030 328146028 /nfs/dbraw/zinc/14/60/28/328146028.db2.gz UXJHBZCTXVJRKY-UHFFFAOYSA-N 0 3 253.349 3.317 20 30 CGEDHN C[C@H](CCC#N)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000276346395 328217590 /nfs/dbraw/zinc/21/75/90/328217590.db2.gz VHBVRVRXIMWTLI-CQSZACIVSA-N 0 3 285.391 3.029 20 30 CGEDHN Cc1cccc2oc(CCN[C@@H]3CCC[C@@H](C#N)C3)nc21 ZINC000278367453 328225060 /nfs/dbraw/zinc/22/50/60/328225060.db2.gz BWZBUBNIEJQZHF-ZIAGYGMSSA-N 0 3 283.375 3.351 20 30 CGEDHN COc1cc(C)c(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000278595925 328227839 /nfs/dbraw/zinc/22/78/39/328227839.db2.gz LOQVKAGGCRXKAS-DZGCQCFKSA-N 0 3 288.391 3.136 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000294916966 328283882 /nfs/dbraw/zinc/28/38/82/328283882.db2.gz APQJOYHZBXZSOW-GWCFXTLKSA-N 0 3 250.292 3.137 20 30 CGEDHN C=C(C)CNCc1cc(Cl)c(OCC)c(OC)c1 ZINC000119634559 328307585 /nfs/dbraw/zinc/30/75/85/328307585.db2.gz XLUMBAMYNSLQPI-UHFFFAOYSA-N 0 3 269.772 3.413 20 30 CGEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccc(C#N)cn1 ZINC000563727549 322007938 /nfs/dbraw/zinc/00/79/38/322007938.db2.gz VQYOBQHGLMHUAO-ZDUSSCGKSA-N 0 3 283.350 3.155 20 30 CGEDHN CN1CCN(Cc2cccc(C#N)c2)CC12CCCCC2 ZINC000565429630 322077478 /nfs/dbraw/zinc/07/74/78/322077478.db2.gz FAFRYVKWCDYCMG-UHFFFAOYSA-N 0 3 283.419 3.009 20 30 CGEDHN Cc1cc(CN[C@@H]2COc3cc(F)ccc3C2)ccc1C#N ZINC000572986325 322364702 /nfs/dbraw/zinc/36/47/02/322364702.db2.gz FKRZFPLVBKHRHX-KRWDZBQOSA-N 0 3 296.345 3.099 20 30 CGEDHN Cc1cccnc1C(C)(C)CNCc1ccc(C#N)cc1F ZINC000573170299 322373727 /nfs/dbraw/zinc/37/37/27/322373727.db2.gz RTMARNULHZAGGD-UHFFFAOYSA-N 0 3 297.377 3.468 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cnc(C2CCCC2)s1 ZINC000341253027 328405052 /nfs/dbraw/zinc/40/50/52/328405052.db2.gz AOWTYLPJBCLHJK-GFCCVEGCSA-N 0 3 280.437 3.075 20 30 CGEDHN C[C@H](N[C@H](CO)C1CCCC1)c1ccc(C#N)cc1Cl ZINC000584261724 327203799 /nfs/dbraw/zinc/20/37/99/327203799.db2.gz RJEWGXUTRANVMD-MEDUHNTESA-N 0 3 292.810 3.413 20 30 CGEDHN C[C@@H](C#N)S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000578131740 327301904 /nfs/dbraw/zinc/30/19/04/327301904.db2.gz RXSRAAOWKSPCQV-ZFWWWQNUSA-N 0 3 260.406 3.296 20 30 CGEDHN C=CCC(C)(C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000389155853 328633590 /nfs/dbraw/zinc/63/35/90/328633590.db2.gz XGDMVMZKWWABBU-UHFFFAOYSA-N 0 3 266.316 3.426 20 30 CGEDHN C[C@@H](CCOCc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000582237350 328839879 /nfs/dbraw/zinc/83/98/79/328839879.db2.gz YCGRSIXXGQJLGN-DOTOQJQBSA-N 0 3 285.391 3.015 20 30 CGEDHN C#CCCOc1ccc(CN2CCCOC(C)(C)C2)cc1 ZINC000378346373 329046855 /nfs/dbraw/zinc/04/68/55/329046855.db2.gz QLWQKHGGWMSRSO-UHFFFAOYSA-N 0 3 287.403 3.090 20 30 CGEDHN C=CCOc1ccc(CN(C)CC(=C)C)cc1OC ZINC000181043256 329225192 /nfs/dbraw/zinc/22/51/92/329225192.db2.gz UIRBUMWXNVWCCR-UHFFFAOYSA-N 0 3 261.365 3.268 20 30 CGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000181049316 329225396 /nfs/dbraw/zinc/22/53/96/329225396.db2.gz MYMCCZQGDFTGCU-UHFFFAOYSA-N 0 3 255.365 3.393 20 30 CGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000181050545 329225596 /nfs/dbraw/zinc/22/55/96/329225596.db2.gz VOOQJZUTQITPLH-UHFFFAOYSA-N 0 3 255.365 3.393 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccc(C)cc2)o1 ZINC000184276704 329258470 /nfs/dbraw/zinc/25/84/70/329258470.db2.gz IBOONMDDBYOCEQ-HNNXBMFYSA-N 0 3 271.360 3.282 20 30 CGEDHN N#CCC[C@@H](C#N)CNCC[C@H]1CCc2ccccc21 ZINC000583194297 329356216 /nfs/dbraw/zinc/35/62/16/329356216.db2.gz UDRIHFGXYIKFEB-GOEBONIOSA-N 0 3 267.376 3.140 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1cnc2ccsc2c1 ZINC000321527396 329370537 /nfs/dbraw/zinc/37/05/37/329370537.db2.gz YDTQFSGIQYIDNI-YPMHNXCESA-N 0 3 276.405 3.274 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CC[C@H](C)O1 ZINC000190418724 329396626 /nfs/dbraw/zinc/39/66/26/329396626.db2.gz DVHYSKVAORKILM-WMLDXEAASA-N 0 3 275.392 3.251 20 30 CGEDHN C=CCC1(C(=O)NCC(C)(C)N2CCCCC2)CCC1 ZINC000190619537 329399948 /nfs/dbraw/zinc/39/99/48/329399948.db2.gz NCVGSHSUYNJQIM-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H](C)S1 ZINC000398990699 329447053 /nfs/dbraw/zinc/44/70/53/329447053.db2.gz LDNVAAUIUOKHLQ-CHWSQXEVSA-N 0 3 260.406 3.078 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000264472013 330061291 /nfs/dbraw/zinc/06/12/91/330061291.db2.gz NTQKBBZFDDJJJF-UHFFFAOYSA-N 0 3 278.783 3.321 20 30 CGEDHN N#CC(C(=O)c1csc(Cl)c1)c1ccccn1 ZINC000191374116 330138317 /nfs/dbraw/zinc/13/83/17/330138317.db2.gz CDGCKWPSRBVPAG-VIFPVBQESA-N 0 3 262.721 3.287 20 30 CGEDHN CC(C)(C#N)CCN1CC2(CCCC2)OC(C)(C)C1 ZINC000527198826 330235893 /nfs/dbraw/zinc/23/58/93/330235893.db2.gz XYFSAHBVOKOWGS-UHFFFAOYSA-N 0 3 264.413 3.350 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527906133 330290100 /nfs/dbraw/zinc/29/01/00/330290100.db2.gz LEWIGKZDMLEURZ-IAQYHMDHSA-N 0 3 283.774 3.383 20 30 CGEDHN N#CCCCN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527884518 330291766 /nfs/dbraw/zinc/29/17/66/330291766.db2.gz GDSDAGIJAWDPRU-CYBMUJFWSA-N 0 3 252.720 3.360 20 30 CGEDHN COc1cccc([C@H](CN[C@H]2CCC[C@H](C#N)C2)OC)c1 ZINC000527923430 330296115 /nfs/dbraw/zinc/29/61/15/330296115.db2.gz DAPWLOAZDHAWCM-QRTARXTBSA-N 0 3 288.391 3.055 20 30 CGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000532966909 330323434 /nfs/dbraw/zinc/32/34/34/330323434.db2.gz BFWHNZDRQMATBN-INIZCTEOSA-N 0 3 288.435 3.370 20 30 CGEDHN CCCOc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424197836 330326064 /nfs/dbraw/zinc/32/60/64/330326064.db2.gz OXNFJTLNWLYGGJ-DZGCQCFKSA-N 0 3 258.365 3.257 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](COC)c1cccc(Cl)c1 ZINC000424290737 330334740 /nfs/dbraw/zinc/33/47/40/330334740.db2.gz CBICFBAZKGLXRN-BPUTZDHNSA-N 0 3 295.810 3.208 20 30 CGEDHN C=CCn1cc(CN[C@@H](C)[C@@H](C)C2CCCCC2)nn1 ZINC000424296498 330336100 /nfs/dbraw/zinc/33/61/00/330336100.db2.gz OTTUYMMORMVEHF-KGLIPLIRSA-N 0 3 276.428 3.159 20 30 CGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N2CCCC2=O)c1 ZINC000424317320 330339660 /nfs/dbraw/zinc/33/96/60/330339660.db2.gz BWIRTPHTKGNIRO-IJEWVQPXSA-N 0 3 297.402 3.156 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000424543755 330372701 /nfs/dbraw/zinc/37/27/01/330372701.db2.gz YABMLCKXQSBBIK-OAHLLOKOSA-N 0 3 274.408 3.008 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000424620728 330428362 /nfs/dbraw/zinc/42/83/62/330428362.db2.gz VRWNJNAQGHFTBE-INIZCTEOSA-N 0 3 288.435 3.316 20 30 CGEDHN N#CCCC[C@@H](NCC(=O)N1CCCCC1)c1ccccc1 ZINC000433016439 330612197 /nfs/dbraw/zinc/61/21/97/330612197.db2.gz QTKYSMSCJIRJJY-QGZVFWFLSA-N 0 3 299.418 3.024 20 30 CGEDHN CCOCc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442712492 330780351 /nfs/dbraw/zinc/78/03/51/330780351.db2.gz GPQZFBRHQPRVNM-JKSUJKDBSA-N 0 3 258.365 3.005 20 30 CGEDHN CCOCc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442712491 330780366 /nfs/dbraw/zinc/78/03/66/330780366.db2.gz GPQZFBRHQPRVNM-HZPDHXFCSA-N 0 3 258.365 3.005 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000442780896 330782472 /nfs/dbraw/zinc/78/24/72/330782472.db2.gz HIQMJFCKAFHQBI-XLNGHYISSA-N 0 3 270.376 3.189 20 30 CGEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000442788226 330783649 /nfs/dbraw/zinc/78/36/49/330783649.db2.gz WKMQVPNBMIDCSY-YPMHNXCESA-N 0 3 298.308 3.366 20 30 CGEDHN CCc1cnccc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000446809333 330854785 /nfs/dbraw/zinc/85/47/85/330854785.db2.gz IEWAORRKQAOGKN-GZBFAFLISA-N 0 3 257.381 3.377 20 30 CGEDHN C=CCOc1cccc(NC(=O)[C@H](CC(C)(C)C)NC)c1 ZINC000449105032 330899316 /nfs/dbraw/zinc/89/93/16/330899316.db2.gz XZZBGGWGWIHZSU-HNNXBMFYSA-N 0 3 290.407 3.214 20 30 CGEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nnc2n1CCC2 ZINC000449228858 330907807 /nfs/dbraw/zinc/90/78/07/330907807.db2.gz WLAMDEQNARWFOZ-STQMWFEESA-N 0 3 262.401 3.010 20 30 CGEDHN C=C(C)CCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000449476831 330928831 /nfs/dbraw/zinc/92/88/31/330928831.db2.gz NRWAUYTXONZKLO-UHFFFAOYSA-N 0 3 264.325 3.049 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2cc(C)c(C)cc2o1 ZINC000449519829 330933353 /nfs/dbraw/zinc/93/33/53/330933353.db2.gz NVORLVYSNDUVDJ-CVEARBPZSA-N 0 3 271.360 3.483 20 30 CGEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1CC1(C#N)CCC1 ZINC000450953808 331008520 /nfs/dbraw/zinc/00/85/20/331008520.db2.gz AFBUJMUBYODBJA-PMPSAXMXSA-N 0 3 276.424 3.086 20 30 CGEDHN CCCCO[C@H]1C[C@@H](NCC2(C#N)CCC2)C1(C)C ZINC000450968272 331009173 /nfs/dbraw/zinc/00/91/73/331009173.db2.gz JNYBPNDDDWJHFK-KGLIPLIRSA-N 0 3 264.413 3.254 20 30 CGEDHN N#CC1(F)CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000450969689 331009232 /nfs/dbraw/zinc/00/92/32/331009232.db2.gz CEYGTGLCCBLZIR-NSHDSACASA-N 0 3 260.303 3.140 20 30 CGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1CC(F)(F)C1 ZINC000450980514 331009912 /nfs/dbraw/zinc/00/99/12/331009912.db2.gz FMDDWJLKSCZNHB-UHFFFAOYSA-N 0 3 285.334 3.195 20 30 CGEDHN CC[C@H]1CN(CC)CCN1CC#Cc1cccc(Cl)c1 ZINC000451740498 331040783 /nfs/dbraw/zinc/04/07/83/331040783.db2.gz METXUNMTQWRZMI-KRWDZBQOSA-N 0 3 290.838 3.108 20 30 CGEDHN Clc1ccc(C#CCN2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451907408 331047004 /nfs/dbraw/zinc/04/70/04/331047004.db2.gz VANRKLHUMMGDNJ-QGZVFWFLSA-N 0 3 289.806 3.194 20 30 CGEDHN C[C@@H](Cc1cnccn1)N[C@H](CCC#N)c1ccccc1 ZINC000453163272 331095895 /nfs/dbraw/zinc/09/58/95/331095895.db2.gz CVJNTYSVJCOUFA-WMLDXEAASA-N 0 3 280.375 3.042 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453353314 331121013 /nfs/dbraw/zinc/12/10/13/331121013.db2.gz MXUOROFZSQZNEH-BJJXKVORSA-N 0 3 290.363 3.287 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2cc(F)ccc21 ZINC000453361738 331122445 /nfs/dbraw/zinc/12/24/45/331122445.db2.gz PHOTWXNGUQKEFA-XHSDSOJGSA-N 0 3 261.340 3.136 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000453361032 331122500 /nfs/dbraw/zinc/12/25/00/331122500.db2.gz QBMAJEJQACYZQJ-OAGGEKHMSA-N 0 3 291.366 3.145 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1N(C)C ZINC000453369979 331124020 /nfs/dbraw/zinc/12/40/20/331124020.db2.gz VFRZSTAPDMNIFP-UNEWFSDZSA-N 0 3 274.408 3.137 20 30 CGEDHN C[C@@H]1CC[C@H](CNCc2cccc(OCCCC#N)c2)O1 ZINC000453636352 331137460 /nfs/dbraw/zinc/13/74/60/331137460.db2.gz WTKDIYAQVVDPHV-RHSMWYFYSA-N 0 3 288.391 3.026 20 30 CGEDHN C=CCCCN(C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000455190750 331162532 /nfs/dbraw/zinc/16/25/32/331162532.db2.gz KUXFEGWNCNIKJV-INIZCTEOSA-N 0 3 295.471 3.105 20 30 CGEDHN Cc1ccc(CCCN2CCC(F)(C#N)CC2)cc1 ZINC000510944320 332921393 /nfs/dbraw/zinc/92/13/93/332921393.db2.gz DVDAVDHHJJGJGI-UHFFFAOYSA-N 0 3 260.356 3.255 20 30 CGEDHN C=CCN(CC=C)CCCc1ccc2c(c1)CCO2 ZINC000482063991 331822920 /nfs/dbraw/zinc/82/29/20/331822920.db2.gz HVMNGQSFAGVZDN-UHFFFAOYSA-N 0 3 257.377 3.228 20 30 CGEDHN CO[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1Cl ZINC000483732021 331883544 /nfs/dbraw/zinc/88/35/44/331883544.db2.gz SXWGBBMDNQCCHQ-HZPDHXFCSA-N 0 3 277.795 3.239 20 30 CGEDHN C=CCCc1ccccc1NC(=O)CC1CCN(C)CC1 ZINC000488562044 332017601 /nfs/dbraw/zinc/01/76/01/332017601.db2.gz NKGUEQGOYQMEOG-UHFFFAOYSA-N 0 3 286.419 3.476 20 30 CGEDHN C=CC[C@@H](C(=O)N(CCC)CCN(C)C)c1ccccc1 ZINC000489025371 332038153 /nfs/dbraw/zinc/03/81/53/332038153.db2.gz HMVRYVSLTWSDMM-QGZVFWFLSA-N 0 3 288.435 3.147 20 30 CGEDHN C=C[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000489476318 332055071 /nfs/dbraw/zinc/05/50/71/332055071.db2.gz MTBDBZLIJWNGDR-ZDUSSCGKSA-N 0 3 276.336 3.014 20 30 CGEDHN C#C[C@@H](C)N(C)C/C(C)=C\c1ccccc1COC ZINC000491072552 332146928 /nfs/dbraw/zinc/14/69/28/332146928.db2.gz STDGVNFDLMIGQO-QKXCFHHRSA-N 0 3 257.377 3.190 20 30 CGEDHN C#C[C@H](C)N(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000491662766 332272061 /nfs/dbraw/zinc/27/20/61/332272061.db2.gz RHGNFSUXIRKZCL-JTQLQIEISA-N 0 3 299.201 3.276 20 30 CGEDHN C=C(CC)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493926020 332458428 /nfs/dbraw/zinc/45/84/28/332458428.db2.gz NKOVTFMMGOOWTA-GJZGRUSLSA-N 0 3 267.319 3.351 20 30 CGEDHN Cc1cc(CNCCCC#N)sc1Br ZINC000336661132 335109762 /nfs/dbraw/zinc/10/97/62/335109762.db2.gz SENMOPCZIWXOPH-UHFFFAOYSA-N 0 3 273.199 3.212 20 30 CGEDHN C#Cc1ccc(CNCc2cccc(NC(=O)OC)c2)cc1 ZINC000496906573 332564170 /nfs/dbraw/zinc/56/41/70/332564170.db2.gz GGHJAIVHCISRHO-UHFFFAOYSA-N 0 3 294.354 3.136 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000553709265 334396229 /nfs/dbraw/zinc/39/62/29/334396229.db2.gz BEWGXOFGBUYPOY-IUODEOHRSA-N 0 3 294.826 3.317 20 30 CGEDHN CC(C#N)C(=O)NCc1cccc(OCc2ccccc2)c1 ZINC000336726307 335116050 /nfs/dbraw/zinc/11/60/50/335116050.db2.gz YMVGDVUFFJAQKQ-AWEZNQCLSA-N 0 3 294.354 3.041 20 30 CGEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc2n[nH]cc2c1 ZINC000513425589 333018735 /nfs/dbraw/zinc/01/87/35/333018735.db2.gz YMUSYLROKQPCQW-ZDUSSCGKSA-N 0 3 293.345 3.404 20 30 CGEDHN C=CCNC(=O)CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000175434790 333024866 /nfs/dbraw/zinc/02/48/66/333024866.db2.gz TWGFTBXOTPJOKL-STQMWFEESA-N 0 3 294.826 3.066 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000191131322 333215728 /nfs/dbraw/zinc/21/57/28/333215728.db2.gz ISPZTQVIVSJKHV-AEFFLSMTSA-N 0 3 288.435 3.316 20 30 CGEDHN CC1(C#N)CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000228053599 333293885 /nfs/dbraw/zinc/29/38/85/333293885.db2.gz KPHPUDLTHVUGSJ-OAHLLOKOSA-N 0 3 276.424 3.494 20 30 CGEDHN C[C@H](Cc1ccc(Cl)cc1)NCC(C)(C)C#N ZINC000231901332 333331884 /nfs/dbraw/zinc/33/18/84/333331884.db2.gz MIRKFRTVQTUTRG-LLVKDONJSA-N 0 3 250.773 3.410 20 30 CGEDHN C[C@@H]1CC[C@@H](N(CC#Cc2cccc(Cl)c2)CCO)C1 ZINC000572529507 333383884 /nfs/dbraw/zinc/38/38/84/333383884.db2.gz WIOFCTRZMFJQOD-RHSMWYFYSA-N 0 3 291.822 3.174 20 30 CGEDHN C[C@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000542578461 333833082 /nfs/dbraw/zinc/83/30/82/333833082.db2.gz JKGHUWUAZMFZKS-ZFWWWQNUSA-N 0 3 277.795 3.096 20 30 CGEDHN CC[C@H](CC#N)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000133815688 334059765 /nfs/dbraw/zinc/05/97/65/334059765.db2.gz ITIORXJZQQIHCR-ZIAGYGMSSA-N 0 3 295.427 3.058 20 30 CGEDHN C=C(C)CN(CCOC[C@@H]1CCCO1)Cc1ccccc1 ZINC000548425541 334155612 /nfs/dbraw/zinc/15/56/12/334155612.db2.gz OOCXKWBJXCBXOZ-SFHVURJKSA-N 0 3 289.419 3.260 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1ccc(F)cn1)C(C)C ZINC000550738235 334228016 /nfs/dbraw/zinc/22/80/16/334228016.db2.gz URQUOGGIOSXGHC-HNNXBMFYSA-N 0 3 277.387 3.331 20 30 CGEDHN C=CCCCN(C)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000091579610 334380723 /nfs/dbraw/zinc/38/07/23/334380723.db2.gz OBUQXYVUFYXHBM-GFCCVEGCSA-N 0 3 265.353 3.334 20 30 CGEDHN CC(C)OCc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000572564910 334537199 /nfs/dbraw/zinc/53/71/99/334537199.db2.gz LUYUJSYWDDASHS-PBHICJAKSA-N 0 3 272.392 3.393 20 30 CGEDHN CCC[C@H](C)[C@H](CO)NCC#Cc1ccccc1Cl ZINC000567992738 334782243 /nfs/dbraw/zinc/78/22/43/334782243.db2.gz XRYWCDAKDPVUNM-BBRMVZONSA-N 0 3 279.811 3.078 20 30 CGEDHN C[C@@H](c1ccncc1)N(C)Cc1ccc(CC#N)cc1 ZINC000343750219 335218756 /nfs/dbraw/zinc/21/87/56/335218756.db2.gz NGPSAOWNYVRDCU-AWEZNQCLSA-N 0 3 265.360 3.341 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000192599050 335280967 /nfs/dbraw/zinc/28/09/67/335280967.db2.gz MRMPWSWGODZZKE-CRAIPNDOSA-N 0 3 298.430 3.316 20 30 CGEDHN CCS[C@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000176982822 335351570 /nfs/dbraw/zinc/35/15/70/335351570.db2.gz VAYAJLMBUMNCMU-RISCZKNCSA-N 0 3 264.394 3.305 20 30 CGEDHN N#Cc1csc(CNCCOc2ccc(F)cc2F)c1 ZINC000177697843 335379857 /nfs/dbraw/zinc/37/98/57/335379857.db2.gz ILNLRFLOYQFWKM-UHFFFAOYSA-N 0 3 294.326 3.067 20 30 CGEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cn2ccccc2n1 ZINC000578906885 335688717 /nfs/dbraw/zinc/68/87/17/335688717.db2.gz RQOQXUXGPFQCOF-RDBSUJKOSA-N 0 3 268.364 3.067 20 30 CGEDHN CO[C@@](C)(CNCc1cccc(C#N)c1)c1ccccc1 ZINC000384282757 336123327 /nfs/dbraw/zinc/12/33/27/336123327.db2.gz CAFGPJXTWSIUOY-SFHVURJKSA-N 0 3 280.371 3.210 20 30 CGEDHN N#Cc1ccccc1OCCN1CC[C@H](c2ccccc2)C1 ZINC000387237035 336189615 /nfs/dbraw/zinc/18/96/15/336189615.db2.gz BMRDOFPEUUIMEJ-SFHVURJKSA-N 0 3 292.382 3.427 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000373228559 500573988 /nfs/dbraw/zinc/57/39/88/500573988.db2.gz JOOBADMJOZVLFN-OAHLLOKOSA-N 0 3 293.455 3.001 20 30 CGEDHN CSC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358574362 533782111 /nfs/dbraw/zinc/78/21/11/533782111.db2.gz RXAUJMULTJLGPO-UWVGGRQHSA-N 0 3 252.358 3.099 20 30 CGEDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)NCC1CCCCC1 ZINC000330260870 534015921 /nfs/dbraw/zinc/01/59/21/534015921.db2.gz ORIOGHKPOBVFEV-HEHGZKQESA-N 0 3 282.428 3.069 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000347081183 534281515 /nfs/dbraw/zinc/28/15/15/534281515.db2.gz XGAZFPLPMASJMP-NXEZZACHSA-N 0 3 284.281 3.384 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000347084229 534283670 /nfs/dbraw/zinc/28/36/70/534283670.db2.gz MNXAJEZORQPUKV-OCCSQVGLSA-N 0 3 284.384 3.308 20 30 CGEDHN N#Cc1ccc(F)c(CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000368620867 534786007 /nfs/dbraw/zinc/78/60/07/534786007.db2.gz FRFPBGVJIGGFHA-INIZCTEOSA-N 0 3 295.361 3.157 20 30 CGEDHN Cc1ccc(NC(=O)c2cc(C#N)cs2)c(CN(C)C)c1 ZINC000084189208 525231156 /nfs/dbraw/zinc/23/11/56/525231156.db2.gz OYVJMERNQXVKES-UHFFFAOYSA-N 0 3 299.399 3.242 20 30 CGEDHN C=CCN(CCCCF)Cc1ccc(OC)cc1 ZINC000351914291 526273654 /nfs/dbraw/zinc/27/36/54/526273654.db2.gz WFJIXQRWRCPPNJ-UHFFFAOYSA-N 0 3 251.345 3.433 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC)CC(F)(F)F ZINC000354551725 526543064 /nfs/dbraw/zinc/54/30/64/526543064.db2.gz YDTUYUAPJSFUSY-RYUDHWBXSA-N 0 3 294.361 3.120 20 30 CGEDHN C=CCCCN[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000344602802 527235124 /nfs/dbraw/zinc/23/51/24/527235124.db2.gz RTKKYSZEDXOTJY-KRWDZBQOSA-N 0 3 286.419 3.296 20 30 CGEDHN CC1(C)Cc2cccc(CN[C@@H]3CC[C@H](C#N)C3)c2O1 ZINC000335284430 527777574 /nfs/dbraw/zinc/77/75/74/527777574.db2.gz CQRPVJIYNVAAKA-SWLSCSKDSA-N 0 3 270.376 3.182 20 30 CGEDHN CCC[C@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000344546336 528194055 /nfs/dbraw/zinc/19/40/55/528194055.db2.gz ICNCJNMOEPBJJA-ZANVPECISA-N 0 3 266.291 3.082 20 30 CGEDHN CC1CCN(CCSc2cccc(C#N)c2)CC1 ZINC000155790499 528247392 /nfs/dbraw/zinc/24/73/92/528247392.db2.gz YYTXFGIYFDCDQV-UHFFFAOYSA-N 0 3 260.406 3.382 20 30 CGEDHN CC[C@H](CC(F)(F)F)NCc1ccc(C#N)c(OC)c1 ZINC000440619305 529317278 /nfs/dbraw/zinc/31/72/78/529317278.db2.gz FWKMMKIBJAHOLD-GFCCVEGCSA-N 0 3 286.297 3.387 20 30 CGEDHN CC[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCCC1 ZINC000358567857 529368305 /nfs/dbraw/zinc/36/83/05/529368305.db2.gz KCJIIFKMNZQZJW-DZGCQCFKSA-N 0 3 289.398 3.222 20 30 CGEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000111255072 535492320 /nfs/dbraw/zinc/49/23/20/535492320.db2.gz BAORNBQOBFONAW-PWSUYJOCSA-N 0 3 291.395 3.073 20 30 CGEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000486767523 535656284 /nfs/dbraw/zinc/65/62/84/535656284.db2.gz AMXSKYQGJPDUHO-YOEHRIQHSA-N 0 3 299.418 3.397 20 30 CGEDHN CC(C)CC(Cc1cccc(Cl)c1)=Nn1cnnc1 ZINC000728155724 571790356 /nfs/dbraw/zinc/79/03/56/571790356.db2.gz YVENQZDTLILLGY-UHFFFAOYSA-N 0 3 276.771 3.424 20 30 CGEDHN C#CCN(CCCOCC)[C@@H]1CCCc2ccccc21 ZINC000746169756 571955501 /nfs/dbraw/zinc/95/55/01/571955501.db2.gz AALMYZHHYJXXLZ-GOSISDBHSA-N 0 3 271.404 3.426 20 30 CGEDHN C[C@@H]1C[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420833 572352630 /nfs/dbraw/zinc/35/26/30/572352630.db2.gz HJPOXRWGCCOIHF-FKTZTGRPSA-N 0 3 274.320 3.268 20 30 CGEDHN CN(Cc1ccc(OCC#N)cc1)Cc1cccc(F)c1 ZINC000731210568 572401799 /nfs/dbraw/zinc/40/17/99/572401799.db2.gz RSIVHPQHLKCUIR-UHFFFAOYSA-N 0 3 284.334 3.360 20 30 CGEDHN C=CCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741330802 572493662 /nfs/dbraw/zinc/49/36/62/572493662.db2.gz RBYZLNZXNIYOLU-UHFFFAOYSA-N 0 3 273.376 3.018 20 30 CGEDHN C#CCCOc1ccc(CNCCC(F)(F)F)cc1 ZINC000742390956 572574650 /nfs/dbraw/zinc/57/46/50/572574650.db2.gz XAPKXKUFKIMWSM-UHFFFAOYSA-N 0 3 271.282 3.131 20 30 CGEDHN C=CCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000735413083 572717548 /nfs/dbraw/zinc/71/75/48/572717548.db2.gz OAAXJLVRVJAMOI-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000735413083 572717549 /nfs/dbraw/zinc/71/75/49/572717549.db2.gz OAAXJLVRVJAMOI-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000735413083 572717552 /nfs/dbraw/zinc/71/75/52/572717552.db2.gz OAAXJLVRVJAMOI-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000735413083 572717556 /nfs/dbraw/zinc/71/75/56/572717556.db2.gz OAAXJLVRVJAMOI-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C#CCN(Cc1cccc(C(=O)OC)c1)C1CCCCC1 ZINC000744212550 572723468 /nfs/dbraw/zinc/72/34/68/572723468.db2.gz JLUPETJLOLOUKV-UHFFFAOYSA-N 0 3 285.387 3.241 20 30 CGEDHN C=CCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000735492563 572725912 /nfs/dbraw/zinc/72/59/12/572725912.db2.gz JLVCBACMJSUGNU-KBPBESRZSA-N 0 3 282.428 3.282 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)C(C)C)nc21 ZINC000735789259 572740727 /nfs/dbraw/zinc/74/07/27/572740727.db2.gz LCBFPGJOXGFIGF-VXGBXAGGSA-N 0 3 269.348 3.340 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)C(C)C)[nH]c21 ZINC000735789259 572740729 /nfs/dbraw/zinc/74/07/29/572740729.db2.gz LCBFPGJOXGFIGF-VXGBXAGGSA-N 0 3 269.348 3.340 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](OC)C(C)C)c([O-])c1 ZINC000745977557 572846990 /nfs/dbraw/zinc/84/69/90/572846990.db2.gz XPENKXACQDQKEO-SZLZGVTBSA-N 0 3 292.423 3.328 20 30 CGEDHN CCCCCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825270670 608483748 /nfs/dbraw/zinc/48/37/48/608483748.db2.gz BFHIPRYJTPUCLL-ZDUSSCGKSA-N 0 3 287.411 3.488 20 30 CGEDHN CCCCCCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825270670 608483747 /nfs/dbraw/zinc/48/37/47/608483747.db2.gz BFHIPRYJTPUCLL-ZDUSSCGKSA-N 0 3 287.411 3.488 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000970947551 613298775 /nfs/dbraw/zinc/29/87/75/613298775.db2.gz MABFACASLQGNFW-ZBFHGGJFSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC000972736513 613616441 /nfs/dbraw/zinc/61/64/41/613616441.db2.gz YXSIEODTMWOSSU-HZPDHXFCSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC000972736511 613631258 /nfs/dbraw/zinc/63/12/58/613631258.db2.gz YXSIEODTMWOSSU-HOTGVXAUSA-N 0 3 296.430 3.014 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(C=C)cc3)C2)C1 ZINC000982031109 613681958 /nfs/dbraw/zinc/68/19/58/613681958.db2.gz VKFMVTUXAGIJMP-UHFFFAOYSA-N 0 3 296.414 3.054 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940950463 613743411 /nfs/dbraw/zinc/74/34/11/613743411.db2.gz NSKVLMDJFWPURG-JKSUJKDBSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000941172428 613746017 /nfs/dbraw/zinc/74/60/17/613746017.db2.gz BVHVOUWUSREQBF-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940960361 613746503 /nfs/dbraw/zinc/74/65/03/613746503.db2.gz FIEOLNRJXRBVKH-HUUCEWRRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C[C@@H]1C ZINC000948078861 613754227 /nfs/dbraw/zinc/75/42/27/613754227.db2.gz PICJWNZVPNUQMC-KBXCAEBGSA-N 0 3 298.430 3.333 20 30 CGEDHN C#C[C@H](N[C@H]1CCC[C@@H](OC)C1)c1ccc(F)cc1 ZINC000812793603 617855800 /nfs/dbraw/zinc/85/58/00/617855800.db2.gz ZMIGWPOESOSMRU-XHSDSOJGSA-N 0 3 261.340 3.047 20 30 CGEDHN COc1ccccc1CCN(C)Cc1csc(C#N)c1 ZINC000891945330 618399319 /nfs/dbraw/zinc/39/93/19/618399319.db2.gz TWHNUVOQDKMAIC-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN Clc1ccc(C#CCN[C@H]2CCOC23CCCC3)cc1 ZINC000934383592 618613930 /nfs/dbraw/zinc/61/39/30/618613930.db2.gz NUIXPZJFXCNDIQ-INIZCTEOSA-N 0 3 289.806 3.383 20 30 CGEDHN CCOCc1ccc(CNCC#Cc2ccccc2)cc1 ZINC000892555370 618862096 /nfs/dbraw/zinc/86/20/96/618862096.db2.gz RIZBUJDJFHPWFY-UHFFFAOYSA-N 0 3 279.383 3.364 20 30 CGEDHN N#Cc1cc(Cl)cc(CN2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000931753048 619248798 /nfs/dbraw/zinc/24/87/98/619248798.db2.gz PEHSVLPWLQHTIM-HOCLYGCPSA-N 0 3 290.794 3.213 20 30 CGEDHN CC1(CNCc2cc(C#N)cnc2Cl)CC(F)(F)C1 ZINC000895531974 619842616 /nfs/dbraw/zinc/84/26/16/619842616.db2.gz LMDANYCADGUCHF-UHFFFAOYSA-N 0 3 285.725 3.132 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](CF)C2)cc1OC ZINC000895575997 619852949 /nfs/dbraw/zinc/85/29/49/619852949.db2.gz WRMXUZKFVATCAY-AWEZNQCLSA-N 0 3 279.355 3.051 20 30 CGEDHN FC(F)(F)CCSCCNCC#Cc1ccccc1 ZINC000895832019 619894284 /nfs/dbraw/zinc/89/42/84/619894284.db2.gz CNNUAMIGPAQHCM-UHFFFAOYSA-N 0 3 287.350 3.313 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccc(CSC(F)F)o1 ZINC000321039862 620275119 /nfs/dbraw/zinc/27/51/19/620275119.db2.gz SKKLTYAHPYYQFI-JTQLQIEISA-N 0 3 291.363 3.152 20 30 CGEDHN C[C@@H](c1ccccn1)N(C)CCCOc1ccc(C#N)cc1 ZINC000179146524 620349720 /nfs/dbraw/zinc/34/97/20/620349720.db2.gz IWNFFERDDINETC-HNNXBMFYSA-N 0 3 295.386 3.415 20 30 CGEDHN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193401012 620518020 /nfs/dbraw/zinc/51/80/20/620518020.db2.gz LRASFLLUDAXVPQ-JOYOIKCWSA-N 0 3 278.739 3.033 20 30 CGEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929162114 620518061 /nfs/dbraw/zinc/51/80/61/620518061.db2.gz HRBDCMLBPZFLRH-KGLIPLIRSA-N 0 3 298.308 3.100 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2ccoc2C(C)C)CC1 ZINC000989767940 620523847 /nfs/dbraw/zinc/52/38/47/620523847.db2.gz QGGQPMGJUKJGLO-UHFFFAOYSA-N 0 3 290.407 3.127 20 30 CGEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001014588983 620554904 /nfs/dbraw/zinc/55/49/04/620554904.db2.gz TWLVISJFIYSVSB-ZDUSSCGKSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000899076573 620620130 /nfs/dbraw/zinc/62/01/30/620620130.db2.gz QMCKRZUDPZICBW-KFWWJZLASA-N 0 3 292.423 3.427 20 30 CGEDHN CCNc1ccccc1CNCc1ccc(CC#N)cc1 ZINC000902603900 621384806 /nfs/dbraw/zinc/38/48/06/621384806.db2.gz IFSCBJVEERMGHE-UHFFFAOYSA-N 0 3 279.387 3.474 20 30 CGEDHN CC[C@H](NCc1cccnc1)c1cccc(C#N)c1 ZINC000902721207 621409503 /nfs/dbraw/zinc/40/95/03/621409503.db2.gz WDCXUNYSXBTWGA-INIZCTEOSA-N 0 3 251.333 3.194 20 30 CGEDHN Cc1cccc(OC[C@H](C)N[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902760670 621430348 /nfs/dbraw/zinc/43/03/48/621430348.db2.gz JSQMIPISEJPFGS-LSDHHAIUSA-N 0 3 295.386 3.380 20 30 CGEDHN Cc1cccc(O[C@H](C)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902819050 621453786 /nfs/dbraw/zinc/45/37/86/621453786.db2.gz FFODNSIFIPTJLY-HUUCEWRRSA-N 0 3 295.386 3.380 20 30 CGEDHN C[C@@H](NCCSC(C)(C)C)c1cc(C#N)ccn1 ZINC000902855374 621477096 /nfs/dbraw/zinc/47/70/96/621477096.db2.gz XXJYFBJVJYFRDW-LLVKDONJSA-N 0 3 263.410 3.136 20 30 CGEDHN C[C@H](N[C@@H]1CCOC12CCCC2)c1ccc(C#N)cc1F ZINC000903381687 621723802 /nfs/dbraw/zinc/72/38/02/621723802.db2.gz BRRXGSXXEAODFD-BLLLJJGKSA-N 0 3 288.366 3.450 20 30 CGEDHN CCSc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905085503 622033648 /nfs/dbraw/zinc/03/36/48/622033648.db2.gz NVJIAOXJGSBVCU-AAIQCTMTSA-N 0 3 285.372 3.231 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)cc1Cl ZINC000911927501 622566445 /nfs/dbraw/zinc/56/64/45/622566445.db2.gz NJUDITCZBXXQFL-LBPRGKRZSA-N 0 3 266.772 3.271 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccnn1C1CCCCC1 ZINC000912028888 622586475 /nfs/dbraw/zinc/58/64/75/622586475.db2.gz IBLJMSFOVPGECV-AWEZNQCLSA-N 0 3 290.411 3.010 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000912172947 622616162 /nfs/dbraw/zinc/61/61/62/622616162.db2.gz YLAZFNLIQQSCHO-HZPDHXFCSA-N 0 3 272.392 3.034 20 30 CGEDHN C#CCN[C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000157207967 622885562 /nfs/dbraw/zinc/88/55/62/622885562.db2.gz FVKXXPTXBRWZLI-CYBMUJFWSA-N 0 3 261.365 3.158 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000229890323 623174313 /nfs/dbraw/zinc/17/43/13/623174313.db2.gz RXYRLTTXCCYCNI-LBPRGKRZSA-N 0 3 279.767 3.003 20 30 CGEDHN CCc1ccccc1N=NC1CN(C2CC2)C[C@H]1C ZINC000755892872 625643548 /nfs/dbraw/zinc/64/35/48/625643548.db2.gz MFTPNZJVCOXIAG-GFCCVEGCSA-N 0 3 257.381 3.131 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)C3CCC(=C)CC3)CCC[C@H]12 ZINC000992151150 623450346 /nfs/dbraw/zinc/45/03/46/623450346.db2.gz KIFBKJLZUBDAIN-FUHWJXTLSA-N 0 3 288.435 3.032 20 30 CGEDHN COc1ccccc1C[C@@H](C)N(C)Cc1cncc(C#N)c1 ZINC000929725241 623531962 /nfs/dbraw/zinc/53/19/62/623531962.db2.gz HDDNQNHBOHAUOE-CQSZACIVSA-N 0 3 295.386 3.025 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(CC)cc3)CCC[C@@H]12 ZINC000992484349 623596667 /nfs/dbraw/zinc/59/66/67/623596667.db2.gz DYKQVFWWJACWQR-MJGOQNOKSA-N 0 3 298.430 3.162 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993740477 624060043 /nfs/dbraw/zinc/06/00/43/624060043.db2.gz ITHFNSOYYYUBQO-NVXWUHKLSA-N 0 3 290.451 3.278 20 30 CGEDHN C#CCN(C[C@H](O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000917117178 624242338 /nfs/dbraw/zinc/24/23/38/624242338.db2.gz DWSWDJLFVBIYBQ-UXHICEINSA-N 0 3 291.394 3.343 20 30 CGEDHN CCCCCCCCCN(C)C(=O)NC[C@H]1CCCN1C ZINC000920813228 624543692 /nfs/dbraw/zinc/54/36/92/624543692.db2.gz DDFURTRJOPQHIL-MRXNPFEDSA-N 0 3 297.487 3.473 20 30 CGEDHN N#CCSCCCNC1(c2ccccc2F)CC1 ZINC000179661556 624676688 /nfs/dbraw/zinc/67/66/88/624676688.db2.gz MCVIJLMFCDMWRK-UHFFFAOYSA-N 0 3 264.369 3.051 20 30 CGEDHN C=CCN1CCC(NC(=O)/C(C)=C/c2ccc(C)cc2)CC1 ZINC000181621824 624879960 /nfs/dbraw/zinc/87/99/60/624879960.db2.gz FXQNCRWUDRACLB-JQIJEIRASA-N 0 3 298.430 3.165 20 30 CGEDHN C[C@H](CNCc1csc(C#N)c1)Oc1ccc(F)cc1 ZINC000921793135 625877995 /nfs/dbraw/zinc/87/79/95/625877995.db2.gz VLQPXKRUHHQERU-LLVKDONJSA-N 0 3 290.363 3.316 20 30 CGEDHN Cc1cc(C)cc([C@@H](O)CNCc2csc(C#N)c2)c1 ZINC000922108241 625970156 /nfs/dbraw/zinc/97/01/56/625970156.db2.gz DHSYJMTZLHVPKA-INIZCTEOSA-N 0 3 286.400 3.060 20 30 CGEDHN N#Cc1csc(CNCCC2(c3ccccc3)CC2)n1 ZINC000922450139 626006718 /nfs/dbraw/zinc/00/67/18/626006718.db2.gz OHHJHPTZBRQPNB-UHFFFAOYSA-N 0 3 283.400 3.226 20 30 CGEDHN COc1cc(CNCc2ccc(C)c(C#N)c2)cc(OC)c1 ZINC000922763304 626043801 /nfs/dbraw/zinc/04/38/01/626043801.db2.gz TXSZHNMWCNSSDA-UHFFFAOYSA-N 0 3 296.370 3.174 20 30 CGEDHN C[C@H](CCc1ccc(OC(F)F)cc1)NCCC#N ZINC000020199749 634505074 /nfs/dbraw/zinc/50/50/74/634505074.db2.gz DRSDYYOEJVSGHR-LLVKDONJSA-N 0 3 268.307 3.112 20 30 CGEDHN C[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000752089630 626418603 /nfs/dbraw/zinc/41/86/03/626418603.db2.gz WVZNTYXTYZGGGM-RYUDHWBXSA-N 0 3 278.783 3.473 20 30 CGEDHN C#CCN(CCCc1ccncc1)Cc1ccc(F)cc1 ZINC000753920914 626468813 /nfs/dbraw/zinc/46/88/13/626468813.db2.gz LDZHPLSJZMXYHY-UHFFFAOYSA-N 0 3 282.362 3.289 20 30 CGEDHN CCCCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC000754853394 626590392 /nfs/dbraw/zinc/59/03/92/626590392.db2.gz HPNXMVNWIWPFEL-AWEZNQCLSA-N 0 3 256.434 3.049 20 30 CGEDHN C1CCN([C@H]2CCCCC2=NO[C@H]2CCCCO2)CC1 ZINC000755825181 626651638 /nfs/dbraw/zinc/65/16/38/626651638.db2.gz VJBKMWVWRPFNQE-HOTGVXAUSA-N 0 3 280.412 3.314 20 30 CGEDHN CC[C@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755924688 626661182 /nfs/dbraw/zinc/66/11/82/626661182.db2.gz PDKLVXIQWYSDOE-AWEZNQCLSA-N 0 3 280.375 3.111 20 30 CGEDHN C=C(Cl)CN1CCN(c2ccnc3ccccc32)CC1 ZINC000839603412 626764739 /nfs/dbraw/zinc/76/47/39/626764739.db2.gz ZLOVSFDTMVFSBD-UHFFFAOYSA-N 0 3 287.794 3.109 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839618051 626766968 /nfs/dbraw/zinc/76/69/68/626766968.db2.gz DUPVUKTVOBFVIJ-LBPRGKRZSA-N 0 3 293.798 3.270 20 30 CGEDHN C#C[C@@H](CC)NCc1cccc(OCC(F)(F)F)c1 ZINC000809685961 626770518 /nfs/dbraw/zinc/77/05/18/626770518.db2.gz DIABXMWTVWHHCN-LBPRGKRZSA-N 0 3 271.282 3.129 20 30 CGEDHN Cc1ccc(C(C)(C)NCc2ccc(OCC#N)cc2)cn1 ZINC000759911627 626930532 /nfs/dbraw/zinc/93/05/32/626930532.db2.gz QIHRYTOKIAGHQY-UHFFFAOYSA-N 0 3 295.386 3.317 20 30 CGEDHN C#CCCc1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000762008360 627079943 /nfs/dbraw/zinc/07/99/43/627079943.db2.gz BTCMXIFNKYMAHD-UHFFFAOYSA-N 0 3 295.386 3.015 20 30 CGEDHN C#CCCOc1ccc(CN[C@H](C#C)C(C)(C)C)cc1 ZINC000809781107 627104142 /nfs/dbraw/zinc/10/41/42/627104142.db2.gz HOHAZFVVJIOPCT-QGZVFWFLSA-N 0 3 269.388 3.226 20 30 CGEDHN N#Cc1ccc(-c2ccn(CN3CC[C@@H](C4CC4)C3)n2)cc1 ZINC000763332480 627151825 /nfs/dbraw/zinc/15/18/25/627151825.db2.gz NXDJHSJWFJAHAG-QGZVFWFLSA-N 0 3 292.386 3.111 20 30 CGEDHN C#CCN[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000764599476 627214014 /nfs/dbraw/zinc/21/40/14/627214014.db2.gz QPPLUFOAWWLMNJ-GOSISDBHSA-N 0 3 283.346 3.341 20 30 CGEDHN Cc1cc(CNCc2ccc([C@H](C)O)cc2)ccc1C#N ZINC000767680765 627428132 /nfs/dbraw/zinc/42/81/32/627428132.db2.gz JKDCTDRKSUKMJM-AWEZNQCLSA-N 0 3 280.371 3.210 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1OC ZINC000770002217 627597023 /nfs/dbraw/zinc/59/70/23/627597023.db2.gz KLAXFPJVLZCNIY-NFAWXSAZSA-N 0 3 258.365 3.428 20 30 CGEDHN C#CCCCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000773276526 627870436 /nfs/dbraw/zinc/87/04/36/627870436.db2.gz WDVVLHZRAKFCNP-AEFFLSMTSA-N 0 3 298.430 3.132 20 30 CGEDHN C#C[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1C ZINC000775184040 628069119 /nfs/dbraw/zinc/06/91/19/628069119.db2.gz SYHVHLVTQLXMOJ-NSHDSACASA-N 0 3 255.283 3.467 20 30 CGEDHN CC(=O)Oc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000775339650 628083645 /nfs/dbraw/zinc/08/36/45/628083645.db2.gz YEPKOXOGJPMESV-CYBMUJFWSA-N 0 3 294.354 3.334 20 30 CGEDHN COCC#CCN[C@@H](C)c1ccccc1C(F)(F)F ZINC000775461028 628097036 /nfs/dbraw/zinc/09/70/36/628097036.db2.gz YTCPNMAGHJUIFT-NSHDSACASA-N 0 3 271.282 3.006 20 30 CGEDHN C#C[C@H](N[C@H]1CC(C)(C)c2ccccc21)[C@@H]1CCCO1 ZINC000775571233 628108144 /nfs/dbraw/zinc/10/81/44/628108144.db2.gz DCKLKIUZOYYTGO-ULQDDVLXSA-N 0 3 269.388 3.179 20 30 CGEDHN C[C@H](NCc1ccc(O)c(F)c1)c1cccc(C#N)c1 ZINC000776165047 628173973 /nfs/dbraw/zinc/17/39/73/628173973.db2.gz WXVJCYCZWYHEBY-NSHDSACASA-N 0 3 270.307 3.254 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CC[C@H]2CCOC2)c([O-])c1 ZINC000783683920 628739676 /nfs/dbraw/zinc/73/96/76/628739676.db2.gz CFKSOVRYJKDAKD-HIXWQLQUSA-N 0 3 290.407 3.084 20 30 CGEDHN N#CCCCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000788591451 629066791 /nfs/dbraw/zinc/06/67/91/629066791.db2.gz YOVHXXRUDAQSJA-CYBMUJFWSA-N 0 3 264.756 3.195 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000862447881 629381378 /nfs/dbraw/zinc/38/13/78/629381378.db2.gz RVHFXKGAZLHJIJ-LBPRGKRZSA-N 0 3 293.794 3.290 20 30 CGEDHN C[C@H](C#N)OCCN(Cc1ccccc1Cl)CC1CC1 ZINC000796260672 629757786 /nfs/dbraw/zinc/75/77/86/629757786.db2.gz NQYNNRGUTKRDNQ-CYBMUJFWSA-N 0 3 292.810 3.481 20 30 CGEDHN N#CC(C(=O)CCC(F)F)c1ccc2ccccc2n1 ZINC000796629093 629807504 /nfs/dbraw/zinc/80/75/04/629807504.db2.gz NEBTYLFZAYEJOS-LLVKDONJSA-N 0 3 274.270 3.456 20 30 CGEDHN CCO[C@@]1(C)C[C@H]1/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000864345710 629814896 /nfs/dbraw/zinc/81/48/96/629814896.db2.gz DFDHXZFYINSOJP-RESRRYNGSA-N 0 3 290.407 3.225 20 30 CGEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000796788234 629834355 /nfs/dbraw/zinc/83/43/55/629834355.db2.gz INFFHBGYQRVJBA-WFASDCNBSA-N 0 3 286.375 3.469 20 30 CGEDHN C=CCCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517420 630340398 /nfs/dbraw/zinc/34/03/98/630340398.db2.gz GAOPFKTYQHMVPE-UHFFFAOYSA-N 0 3 252.289 3.132 20 30 CGEDHN Cc1ccc([C@H]2CCCCCN2CCO[C@@H](C)C#N)o1 ZINC000801922744 630366392 /nfs/dbraw/zinc/36/63/92/630366392.db2.gz OBXACBJVFGCJHG-LSDHHAIUSA-N 0 3 276.380 3.434 20 30 CGEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1nccc2ccccc21 ZINC000802226271 630384729 /nfs/dbraw/zinc/38/47/29/630384729.db2.gz JUHZJSMRCZUYCZ-WAVCKPEOSA-N 0 3 287.322 3.453 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H](C)C(C)(C)C)n1 ZINC000802651578 630402475 /nfs/dbraw/zinc/40/24/75/630402475.db2.gz RBHKHURMYSMROR-AWEZNQCLSA-N 0 3 261.413 3.020 20 30 CGEDHN C#CCCCCC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000807680336 630596845 /nfs/dbraw/zinc/59/68/45/630596845.db2.gz PCEUSZGUUDIWND-CABCVRRESA-N 0 3 290.407 3.019 20 30 CGEDHN C#C[C@H](N[C@@H]1C[C@H](C)c2ccccc21)[C@H]1CCCO1 ZINC000808713151 630669103 /nfs/dbraw/zinc/66/91/03/630669103.db2.gz FMPCIZZWHCQAFW-KKBVYLPWSA-N 0 3 255.361 3.005 20 30 CGEDHN CC(C)(C)c1ccc([C@H]2CCCN2C[C@H](O)CC#N)cc1 ZINC000809572114 630751660 /nfs/dbraw/zinc/75/16/60/630751660.db2.gz HSKYOVAGCNSFFX-IAGOWNOFSA-N 0 3 286.419 3.396 20 30 CGEDHN C#C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809683700 630780062 /nfs/dbraw/zinc/78/00/62/630780062.db2.gz KUFJOCNABGTWDW-CYBMUJFWSA-N 0 3 251.329 3.171 20 30 CGEDHN C#C[C@@H](NCc1ccccc1N1CCCCC1)C(C)C ZINC000809685374 630780405 /nfs/dbraw/zinc/78/04/05/630780405.db2.gz QBFUSSUXQBVYFW-QGZVFWFLSA-N 0 3 270.420 3.424 20 30 CGEDHN C#Cc1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000809729020 630794139 /nfs/dbraw/zinc/79/41/39/630794139.db2.gz OMRYAUFYMZPTLM-SFHVURJKSA-N 0 3 262.356 3.400 20 30 CGEDHN C#C[C@@H](NCc1cc(CC=C)c(O)c(OC)c1)C(C)(C)C ZINC000809781246 630806190 /nfs/dbraw/zinc/80/61/90/630806190.db2.gz KPVYSVMLAYKSSW-MRXNPFEDSA-N 0 3 287.403 3.267 20 30 CGEDHN C#C[C@@H](NCc1cnc(C)n1-c1ccccc1)C(C)(C)C ZINC000809782276 630807306 /nfs/dbraw/zinc/80/73/06/630807306.db2.gz MZRZZPUWZZLHEO-QGZVFWFLSA-N 0 3 281.403 3.318 20 30 CGEDHN C#C[C@@H](NCc1ccnn1-c1ccccc1)C(C)(C)C ZINC000809782484 630807471 /nfs/dbraw/zinc/80/74/71/630807471.db2.gz VQYHISBFKMQDPY-MRXNPFEDSA-N 0 3 267.376 3.010 20 30 CGEDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1C#N ZINC000810251352 630858738 /nfs/dbraw/zinc/85/87/38/630858738.db2.gz QWDSRYLNMHEVRQ-LBPRGKRZSA-N 0 3 282.343 3.123 20 30 CGEDHN CCN(C)c1ccc(C(C)=NOCCOC(C)C)cc1 ZINC000812239984 631230618 /nfs/dbraw/zinc/23/06/18/631230618.db2.gz FZLCVUYQSJJTAD-UHFFFAOYSA-N 0 3 278.396 3.308 20 30 CGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900984 631331145 /nfs/dbraw/zinc/33/11/45/631331145.db2.gz YXCWNGRYMVUBAI-HUUCEWRRSA-N 0 3 299.418 3.059 20 30 CGEDHN CCC[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000813061501 631343779 /nfs/dbraw/zinc/34/37/79/631343779.db2.gz JGXMHFKRPXLCAP-UTUOFQBUSA-N 0 3 268.316 3.440 20 30 CGEDHN N#CC(C(=O)C1=CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813214071 631388200 /nfs/dbraw/zinc/38/82/00/631388200.db2.gz OVBCKXHTJGLCAT-NSHDSACASA-N 0 3 280.249 3.387 20 30 CGEDHN C#CCN(CC)C/C(C)=C\c1ccccc1COC ZINC000816496278 631993420 /nfs/dbraw/zinc/99/34/20/631993420.db2.gz CVHCSCYUJVBYBS-QINSGFPZSA-N 0 3 257.377 3.191 20 30 CGEDHN C[NH+](C)C1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000817708491 632202127 /nfs/dbraw/zinc/20/21/27/632202127.db2.gz YVSWUXFYBPKVPA-YVLHZVERSA-N 0 3 280.799 3.337 20 30 CGEDHN CCCCCCCCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000818564042 632335867 /nfs/dbraw/zinc/33/58/67/632335867.db2.gz DVBVMTJSKWKEIT-UHFFFAOYSA-N 0 3 289.423 3.416 20 30 CGEDHN C[C@@H]1CN(CCCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880059601 635905979 /nfs/dbraw/zinc/90/59/79/635905979.db2.gz JOXMMGJTGRFJCH-NEPJUHHUSA-N 0 3 292.345 3.358 20 30 CGEDHN N#CC1(CN[C@@H](C2CCC2)[C@H]2CCCO2)CCCCC1 ZINC000866391010 633117788 /nfs/dbraw/zinc/11/77/88/633117788.db2.gz YLIJOWNGVNWCQW-CVEARBPZSA-N 0 3 276.424 3.398 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)Cc1ccc(C)cc1 ZINC000876559882 634857869 /nfs/dbraw/zinc/85/78/69/634857869.db2.gz HWLPSHWNEPYMLP-OAHLLOKOSA-N 0 3 294.826 3.204 20 30 CGEDHN C#C[C@H](NCc1ccc(O[C@H](C)COC)cc1)C(C)(C)C ZINC000825939652 633390120 /nfs/dbraw/zinc/39/01/20/633390120.db2.gz FQKIRPCTFUZSOZ-PBHICJAKSA-N 0 3 289.419 3.238 20 30 CGEDHN C=CCN1CCC(NC(=O)c2ccccc2C(C)C)CC1 ZINC000826656272 633424237 /nfs/dbraw/zinc/42/42/37/633424237.db2.gz KNQYJXFNGQPZPX-UHFFFAOYSA-N 0 3 286.419 3.190 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000829773798 633779894 /nfs/dbraw/zinc/77/98/94/633779894.db2.gz JXZZBOOUEFXYEF-CYBMUJFWSA-N 0 3 254.333 3.063 20 30 CGEDHN C=CC(C)(C)CCCNCc1cn(C(C)(C)C)nn1 ZINC000873151793 634259764 /nfs/dbraw/zinc/25/97/64/634259764.db2.gz PFRAONSJIPAATR-UHFFFAOYSA-N 0 3 264.417 3.115 20 30 CGEDHN C=CCc1cc(CNC2(C)CC(F)(F)C2)cc(OC)c1O ZINC000873198077 634282257 /nfs/dbraw/zinc/28/22/57/634282257.db2.gz ZTSTVEDPENDHGL-UHFFFAOYSA-N 0 3 297.345 3.407 20 30 CGEDHN C#CCCCCCCNCc1csc(CC)n1 ZINC000877012222 634949935 /nfs/dbraw/zinc/94/99/35/634949935.db2.gz QEUWRDZGKVWGJX-UHFFFAOYSA-N 0 3 250.411 3.379 20 30 CGEDHN C=CCC(F)(F)C(=O)OC[C@H]1CCCCN1C(C)C ZINC000837745822 634978372 /nfs/dbraw/zinc/97/83/72/634978372.db2.gz XJORSWNFVUPKCN-GFCCVEGCSA-N 0 3 275.339 3.004 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(Cl)nc1 ZINC000840785652 635052543 /nfs/dbraw/zinc/05/25/43/635052543.db2.gz JWTKJTSBLXYVOT-JTQLQIEISA-N 0 3 251.761 3.325 20 30 CGEDHN C#C[C@@H](NC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000877544320 635082115 /nfs/dbraw/zinc/08/21/15/635082115.db2.gz OEQNRNKSMDSAQC-VDSRIPIWSA-N 0 3 256.324 3.172 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)cnc1Cl)[C@@H]1CCCCO1 ZINC000877618648 635115662 /nfs/dbraw/zinc/11/56/62/635115662.db2.gz BJECUVJVYRXCID-KGLIPLIRSA-N 0 3 293.798 3.044 20 30 CGEDHN C#CCCCCCCN[C@H](CO)c1ccc(F)cc1F ZINC000877640812 635127376 /nfs/dbraw/zinc/12/73/76/635127376.db2.gz SNGXMSCWIXQQRP-MRXNPFEDSA-N 0 3 281.346 3.172 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877672308 635140960 /nfs/dbraw/zinc/14/09/60/635140960.db2.gz BGRYQTMNVMNNLR-UXHICEINSA-N 0 3 291.394 3.366 20 30 CGEDHN C#CCOc1ccccc1CN1CCC(OC2CCC2)CC1 ZINC000841888483 635247926 /nfs/dbraw/zinc/24/79/26/635247926.db2.gz JBDAWIJCJAWGLZ-UHFFFAOYSA-N 0 3 299.414 3.232 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H](C)CC(C)(C)C)CC1 ZINC000878310626 635454191 /nfs/dbraw/zinc/45/41/91/635454191.db2.gz MYFKWKHOHQPNCO-HOTGVXAUSA-N 0 3 279.472 3.224 20 30 CGEDHN C#CCCCCCN(CC(=C)C)Cc1ccc(CO)o1 ZINC000878607155 635568381 /nfs/dbraw/zinc/56/83/81/635568381.db2.gz SMYDOPYINKELGI-UHFFFAOYSA-N 0 3 275.392 3.344 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cc(F)cc(OC)c2)C1 ZINC000843423344 635666491 /nfs/dbraw/zinc/66/64/91/635666491.db2.gz MLQNEOOGFWIAHK-CYBMUJFWSA-N 0 3 261.340 3.070 20 30 CGEDHN CC1(C)CCC[C@@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000879064624 635692756 /nfs/dbraw/zinc/69/27/56/635692756.db2.gz KWGACCKAIRQDIQ-KRWDZBQOSA-N 0 3 298.430 3.458 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@H]1CCC3(CCC3)O1)C2 ZINC000879065764 635694503 /nfs/dbraw/zinc/69/45/03/635694503.db2.gz XCTYEHQTODROGX-QGZVFWFLSA-N 0 3 296.414 3.212 20 30 CGEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000879314032 635753942 /nfs/dbraw/zinc/75/39/42/635753942.db2.gz PQZRQMGDBMXWMB-DOTOQJQBSA-N 0 3 286.419 3.150 20 30 CGEDHN C=CCCCCN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879500106 635799583 /nfs/dbraw/zinc/79/95/83/635799583.db2.gz OTYCXSIQGFTYOQ-MRXNPFEDSA-N 0 3 271.408 3.222 20 30 CGEDHN C[C@]1(C(F)(F)F)CCN(CCOc2cccc(C#N)c2)C1 ZINC000880000514 635895486 /nfs/dbraw/zinc/89/54/86/635895486.db2.gz MHOSIAMLRDDAKM-AWEZNQCLSA-N 0 3 298.308 3.211 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(C(F)(F)F)nc1 ZINC000880103174 635915442 /nfs/dbraw/zinc/91/54/42/635915442.db2.gz RYASCVIMTPFMOU-JTQLQIEISA-N 0 3 283.297 3.445 20 30 CGEDHN C=CCC(C)(C)c1noc([C@@H]2CC[C@H](C3CC3)N2)n1 ZINC000844919685 635984257 /nfs/dbraw/zinc/98/42/57/635984257.db2.gz MYFHWLOGBGLVGH-NEPJUHHUSA-N 0 3 261.369 3.126 20 30 CGEDHN C=CCCC[C@H](NCC(=O)NC(C)C)c1ccccc1 ZINC000880387802 635991190 /nfs/dbraw/zinc/99/11/90/635991190.db2.gz DTAKIGQRIUNAFA-INIZCTEOSA-N 0 3 274.408 3.198 20 30 CGEDHN C=CCCC[C@@H](NCC(=O)N1CCCC1)c1ccccc1 ZINC000880389419 635991821 /nfs/dbraw/zinc/99/18/21/635991821.db2.gz UCRBYSUKKWYVHL-QGZVFWFLSA-N 0 3 286.419 3.296 20 30 CGEDHN C=CCCC[C@H](NCCS(=O)(=O)CC)c1ccccc1 ZINC000880389136 635992187 /nfs/dbraw/zinc/99/21/87/635992187.db2.gz RXSUNPBZDHNMNO-INIZCTEOSA-N 0 3 295.448 3.108 20 30 CGEDHN C#CCC1(O)CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000880477535 636008134 /nfs/dbraw/zinc/00/81/34/636008134.db2.gz JQZDQXQQALGKRD-ZDUSSCGKSA-N 0 3 277.795 3.251 20 30 CGEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880505895 636012181 /nfs/dbraw/zinc/01/21/81/636012181.db2.gz OWADMCALOBNTAR-CVEARBPZSA-N 0 3 290.794 3.403 20 30 CGEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc2ccccc2[nH]1 ZINC000845436580 636035671 /nfs/dbraw/zinc/03/56/71/636035671.db2.gz FNLDLISKDNYVRC-YNEHKIRRSA-N 0 3 279.343 3.175 20 30 CGEDHN Cc1ccc(F)cc1CNCc1ccc(C#N)cc1 ZINC000129030787 636112364 /nfs/dbraw/zinc/11/23/64/636112364.db2.gz LKHKLGKVUPFMSR-UHFFFAOYSA-N 0 3 254.308 3.296 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccc2nonc2c1 ZINC000846846623 636258282 /nfs/dbraw/zinc/25/82/82/636258282.db2.gz CHRTXMGCBIBLIQ-UHFFFAOYSA-N 0 3 283.331 3.047 20 30 CGEDHN COc1cc(F)cc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848407607 636568198 /nfs/dbraw/zinc/56/81/98/636568198.db2.gz RXVPEDNZJTTWBQ-MRXNPFEDSA-N 0 3 291.370 3.251 20 30 CGEDHN Clc1ccc(N=NC2CCCN3CCCC[C@@H]23)cn1 ZINC000848406963 636568841 /nfs/dbraw/zinc/56/88/41/636568841.db2.gz SWLYELHQPLFKLL-ZDUSSCGKSA-N 0 3 278.787 3.151 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)NCc1cc(C(N)=O)co1 ZINC000883217211 636592070 /nfs/dbraw/zinc/59/20/70/636592070.db2.gz DPHFLMUNUDEMJS-MRXNPFEDSA-N 0 3 298.386 3.046 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000883235344 636604626 /nfs/dbraw/zinc/60/46/26/636604626.db2.gz ZXKSHZKXRHBVDD-DJIMGWMZSA-N 0 3 296.418 3.451 20 30 CGEDHN C#CC1CCN(Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000848919258 636691219 /nfs/dbraw/zinc/69/12/19/636691219.db2.gz IJSBENCNEIGDEZ-UHFFFAOYSA-N 0 3 297.377 3.165 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000848922982 636693703 /nfs/dbraw/zinc/69/37/03/636693703.db2.gz AUBDAEPOIRVUEN-GFCCVEGCSA-N 0 3 295.329 3.142 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000848924342 636695546 /nfs/dbraw/zinc/69/55/46/636695546.db2.gz QKVCRTHNEOKKRP-GFCCVEGCSA-N 0 3 257.308 3.417 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000883392486 636737407 /nfs/dbraw/zinc/73/74/07/636737407.db2.gz IQJYFOCTJKQGHY-CMPLNLGQSA-N 0 3 285.309 3.008 20 30 CGEDHN C#CCN[C@H](CC)c1cc(F)cc(Br)c1 ZINC000132681860 636830005 /nfs/dbraw/zinc/83/00/05/636830005.db2.gz FTYISBGBYRYLAR-GFCCVEGCSA-N 0 3 270.145 3.262 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)c(C)c2)CC1 ZINC001006363848 636863005 /nfs/dbraw/zinc/86/30/05/636863005.db2.gz IAYZPMXQHROYCI-UHFFFAOYSA-N 0 3 286.419 3.026 20 30 CGEDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(C#N)c1 ZINC000135381326 637126678 /nfs/dbraw/zinc/12/66/78/637126678.db2.gz BSUJMQLSZSJLIJ-GFCCVEGCSA-N 0 3 252.317 3.115 20 30 CGEDHN C#C[C@@](C)(CC)NCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000852100113 637594872 /nfs/dbraw/zinc/59/48/72/637594872.db2.gz FPCCBCQNCLYASC-IBGZPJMESA-N 0 3 295.382 3.173 20 30 CGEDHN C=CCN(Cc1ccc(CF)cc1)[C@H](C)COC ZINC000852356646 637642056 /nfs/dbraw/zinc/64/20/56/637642056.db2.gz KPCZUWQRBXHNLQ-CYBMUJFWSA-N 0 3 251.345 3.179 20 30 CGEDHN C=CC1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000111258045 637824224 /nfs/dbraw/zinc/82/42/24/637824224.db2.gz LCOBVKZZKXFWGP-HNNXBMFYSA-N 0 3 265.784 3.271 20 30 CGEDHN C=CCC[C@H](CCC)N1CCc2sc(CN)nc2C1 ZINC000925750557 638596144 /nfs/dbraw/zinc/59/61/44/638596144.db2.gz JFWZPHCQWQWGRV-LBPRGKRZSA-N 0 3 279.453 3.095 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926153193 638723232 /nfs/dbraw/zinc/72/32/32/638723232.db2.gz MTODDQWEDBISGI-WPRPVWTQSA-N 0 3 279.327 3.355 20 30 CGEDHN C=C(C)[C@H](N[C@@H]1COC[C@H]1C)c1ccc(F)c(F)c1 ZINC000926207547 638740954 /nfs/dbraw/zinc/74/09/54/638740954.db2.gz VIMTUNFFXRJCKT-KMUNFCNLSA-N 0 3 267.319 3.207 20 30 CGEDHN C=CCCCCCN[C@@H](C)c1cn(C(C)C)nn1 ZINC000926666068 638796345 /nfs/dbraw/zinc/79/63/45/638796345.db2.gz PCBQLVCMDBPXKK-ZDUSSCGKSA-N 0 3 250.390 3.256 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000926674863 638797518 /nfs/dbraw/zinc/79/75/18/638797518.db2.gz FOHPSFWMOWHNAO-YIYPIFLZSA-N 0 3 260.385 3.008 20 30 CGEDHN Cc1ccc(CN[C@@H](C)C2(Br)CC2)cc1C#N ZINC000926965455 638829677 /nfs/dbraw/zinc/82/96/77/638829677.db2.gz RPTXNNJNRMHDOW-NSHDSACASA-N 0 3 293.208 3.272 20 30 CGEDHN CC(C)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000927071747 638838307 /nfs/dbraw/zinc/83/83/07/638838307.db2.gz UKYGARLSLJMYMB-CXAGYDPISA-N 0 3 282.391 3.340 20 30 CGEDHN CC[C@@H](C(=O)Nc1ccc(CCC#N)cc1)N(CC)CC ZINC000928404829 638880930 /nfs/dbraw/zinc/88/09/30/638880930.db2.gz RCKWFVMGVRTQDP-INIZCTEOSA-N 0 3 287.407 3.202 20 30 CGEDHN Cc1cc(C#N)cc(C)c1CN(C)[C@@H](CO)c1ccccc1 ZINC000929506332 638929563 /nfs/dbraw/zinc/92/95/63/638929563.db2.gz ZAOLVZFZAOOTNZ-IBGZPJMESA-N 0 3 294.398 3.341 20 30 CGEDHN CCS[C@@H]1CCCCN(Cc2cncc(C#N)c2)C1 ZINC000929624611 638935616 /nfs/dbraw/zinc/93/56/16/638935616.db2.gz RTMTVDYXEKYBKP-OAHLLOKOSA-N 0 3 275.421 3.061 20 30 CGEDHN CC[C@@H]1CN(CCCCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000930851905 639076341 /nfs/dbraw/zinc/07/63/41/639076341.db2.gz KQYMJTYUFUVHBQ-LSDHHAIUSA-N 0 3 264.413 3.350 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)o2)C1 ZINC000930885267 639082476 /nfs/dbraw/zinc/08/24/76/639082476.db2.gz LYFIPUUOOFQKMP-CQSZACIVSA-N 0 3 266.344 3.187 20 30 CGEDHN Cn1nccc1[C@H]1CCCN1CCCCC(C)(C)C#N ZINC000932265715 639304332 /nfs/dbraw/zinc/30/43/32/639304332.db2.gz RPSAQYPGIXOKFT-OAHLLOKOSA-N 0 3 274.412 3.277 20 30 CGEDHN C=C(CC)CN[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933242265 639429873 /nfs/dbraw/zinc/42/98/73/639429873.db2.gz VMQSIGNOKGESIG-ZDUSSCGKSA-N 0 3 273.298 3.295 20 30 CGEDHN C=C(CC)CN[C@H](CO)c1ccccc1C(F)(F)F ZINC000933242262 639429974 /nfs/dbraw/zinc/42/99/74/639429974.db2.gz VMQSIGNOKGESIG-CYBMUJFWSA-N 0 3 273.298 3.295 20 30 CGEDHN C=CC[C@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000860898678 639457388 /nfs/dbraw/zinc/45/73/88/639457388.db2.gz MIVMXDWHVQRNGC-AWEZNQCLSA-N 0 3 273.376 3.404 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1cnn(CC2CCC2)c1 ZINC000934560629 639631014 /nfs/dbraw/zinc/63/10/14/639631014.db2.gz FTWFLYKASORIDD-CYBMUJFWSA-N 0 3 272.396 3.028 20 30 CGEDHN C=CCCCN(CC)CC[S@](=O)c1ccccc1 ZINC000934647070 639649135 /nfs/dbraw/zinc/64/91/35/639649135.db2.gz YVBWQKBHXOIFCS-SFHVURJKSA-N 0 3 265.422 3.082 20 30 CGEDHN Cc1occc1CN(C)CCCOc1ccc(C#N)cc1 ZINC000048755905 640069047 /nfs/dbraw/zinc/06/90/47/640069047.db2.gz SVRQDCKHQTZUPT-UHFFFAOYSA-N 0 3 284.359 3.361 20 30 CGEDHN C#CCCCCNCc1c(F)cccc1Br ZINC000192620162 640391527 /nfs/dbraw/zinc/39/15/27/640391527.db2.gz ZDVGHFIUBCUTGP-UHFFFAOYSA-N 0 3 284.172 3.481 20 30 CGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(OCC#N)cc1 ZINC000193871908 640499736 /nfs/dbraw/zinc/49/97/36/640499736.db2.gz OLWFQARCQNHNGT-AWEZNQCLSA-N 0 3 291.354 3.311 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009099648 640956019 /nfs/dbraw/zinc/95/60/19/640956019.db2.gz YMITZTZGRCZZQB-OAHLLOKOSA-N 0 3 296.430 3.206 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001009195410 640956891 /nfs/dbraw/zinc/95/68/91/640956891.db2.gz LTPRDTSYQNXUTN-CQSZACIVSA-N 0 3 290.407 3.002 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009679392 640961859 /nfs/dbraw/zinc/96/18/59/640961859.db2.gz CPHMJWDCMLVGQX-AWEZNQCLSA-N 0 3 290.407 3.173 20 30 CGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C1CC1 ZINC001017532113 641013928 /nfs/dbraw/zinc/01/39/28/641013928.db2.gz VYUQBQJCHBIVRT-IYBDPMFKSA-N 0 3 290.451 3.064 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001019232298 641030557 /nfs/dbraw/zinc/03/05/57/641030557.db2.gz TXGOAXFOIBPINJ-AWEZNQCLSA-N 0 3 292.448 3.041 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccccc1C1CCC1 ZINC001156641586 805721579 /nfs/dbraw/zinc/72/15/79/805721579.db2.gz GXVHRXDQAHEXHN-OAHLLOKOSA-N 0 3 298.430 3.028 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C)c(Cl)c1 ZINC001156668706 805724166 /nfs/dbraw/zinc/72/41/66/805724166.db2.gz WTMDBWUPVOVYOH-UHFFFAOYSA-N 0 3 294.826 3.228 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N(C(C)C)C(C)C ZINC001157459056 805816148 /nfs/dbraw/zinc/81/61/48/805816148.db2.gz VWEPMOUSLAHFIP-AWEZNQCLSA-N 0 3 254.418 3.096 20 30 CGEDHN C=CCN(c1ccc(CN(C)C2CC2)cn1)C(C)(C)C ZINC001157585935 805840634 /nfs/dbraw/zinc/84/06/34/805840634.db2.gz WVDLELMCUOFGSQ-UHFFFAOYSA-N 0 3 273.424 3.467 20 30 CGEDHN C=C[C@@H](NC[C@H](O)COc1ccccc1C)c1ccccc1 ZINC001251748404 805929039 /nfs/dbraw/zinc/92/90/39/805929039.db2.gz MXFGVCKBOPCDOT-ZWKOTPCHSA-N 0 3 297.398 3.252 20 30 CGEDHN C=CC(C)(C)CC(=O)NCCCNCC=C(Cl)Cl ZINC001158894571 806017582 /nfs/dbraw/zinc/01/75/82/806017582.db2.gz LMHGCSBQOMSBKM-UHFFFAOYSA-N 0 3 293.238 3.004 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1c(C)noc1C ZINC001252137563 806023334 /nfs/dbraw/zinc/02/33/34/806023334.db2.gz ZCYJPBRMOSZFCV-HNNXBMFYSA-N 0 3 282.428 3.493 20 30 CGEDHN C=CCC[C@@H](O)CN[C@@H](c1ccncc1Cl)C1CC1 ZINC001252622424 806093385 /nfs/dbraw/zinc/09/33/85/806093385.db2.gz UPUUKZNYCZZJCG-IUODEOHRSA-N 0 3 280.799 3.103 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H](c1ccc(Cl)cn1)C1CC1 ZINC001252623339 806094179 /nfs/dbraw/zinc/09/41/79/806094179.db2.gz JFCABKMAUFEXJA-HIFRSBDPSA-N 0 3 280.799 3.103 20 30 CGEDHN CCCCCCCCCC[C@@H](O)CNCc1cncnc1 ZINC001252986232 806147110 /nfs/dbraw/zinc/14/71/10/806147110.db2.gz KLLBWGCTPTWSCM-QGZVFWFLSA-N 0 3 293.455 3.458 20 30 CGEDHN C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253249322 806195202 /nfs/dbraw/zinc/19/52/02/806195202.db2.gz JIADQSWFTKJTCU-INIZCTEOSA-N 0 3 293.407 3.075 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)N(C)CCc1cccs1 ZINC001160529948 806281579 /nfs/dbraw/zinc/28/15/79/806281579.db2.gz CXLNMRLVVPKOQM-HNNXBMFYSA-N 0 3 294.464 3.213 20 30 CGEDHN C=CCN1CCC[C@H]1CNc1nc(C)cc(Cl)c1C ZINC001160954519 806327637 /nfs/dbraw/zinc/32/76/37/806327637.db2.gz WLWNZPBKEPSZQB-ZDUSSCGKSA-N 0 3 279.815 3.414 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001161126058 806352610 /nfs/dbraw/zinc/35/26/10/806352610.db2.gz NQLMQUJMCHWJBG-QAPCUYQASA-N 0 3 290.451 3.137 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C=C)cc2)CC1 ZINC001161301140 806363567 /nfs/dbraw/zinc/36/35/67/806363567.db2.gz LDDOCHZETGWMJW-UHFFFAOYSA-N 0 3 296.414 3.268 20 30 CGEDHN N=C(NC1CCc2ccccc2CC1)c1ccc(Cl)cn1 ZINC001254450865 806404868 /nfs/dbraw/zinc/40/48/68/806404868.db2.gz DJHMNRDCLVUPDU-UHFFFAOYSA-N 0 3 299.805 3.388 20 30 CGEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001254560215 806450968 /nfs/dbraw/zinc/45/09/68/806450968.db2.gz PUVOXWHITSJESP-XOUADPBQSA-N 0 3 299.374 3.292 20 30 CGEDHN COC(=O)c1cccc([C@@H]2CCCN2[C@H]2CC[C@H](C#N)C2)c1 ZINC001254675482 806483801 /nfs/dbraw/zinc/48/38/01/806483801.db2.gz FTFZNQSIMCECTN-JQFCIGGWSA-N 0 3 298.386 3.302 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)C1(CC(C)C)CCC1 ZINC001162246424 806540735 /nfs/dbraw/zinc/54/07/35/806540735.db2.gz WJHONZYJRHFWTJ-UHFFFAOYSA-N 0 3 286.847 3.051 20 30 CGEDHN N#CCC1(N[C@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC001255109258 806545197 /nfs/dbraw/zinc/54/51/97/806545197.db2.gz PNOVHDBAODSQEC-KRWDZBQOSA-N 0 3 283.419 3.077 20 30 CGEDHN C[C@H](N)c1nc2ccccc2n1-c1cccc(CC#N)c1F ZINC001162766462 806660716 /nfs/dbraw/zinc/66/07/16/806660716.db2.gz OJQLIVDFTRZALT-NSHDSACASA-N 0 3 294.333 3.250 20 30 CGEDHN CC(C)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130476095 799026107 /nfs/dbraw/zinc/02/61/07/799026107.db2.gz UKPYBLZKIZMZBL-LLVKDONJSA-N 0 3 299.157 3.297 20 30 CGEDHN N#CCCc1ccc(N[C@@H]2CNCc3ccsc32)cc1 ZINC001163226928 806728274 /nfs/dbraw/zinc/72/82/74/806728274.db2.gz NHLDXBGTUYMPOU-OAHLLOKOSA-N 0 3 283.400 3.461 20 30 CGEDHN CC(C)CN(CCC#N)CCCOCc1ccccc1 ZINC000382075824 799392265 /nfs/dbraw/zinc/39/22/65/799392265.db2.gz UDPRUOVLLJGILV-UHFFFAOYSA-N 0 3 274.408 3.465 20 30 CGEDHN CC[C@H](CC#N)NC[C@H](C)COCc1ccccc1 ZINC000390167298 799468598 /nfs/dbraw/zinc/46/85/98/799468598.db2.gz FMZWPGFCIRXSDX-GOEBONIOSA-N 0 3 260.381 3.121 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](C)CCOCc1ccccc1 ZINC000390291578 799469202 /nfs/dbraw/zinc/46/92/02/799469202.db2.gz YZKIFEWUCGXVDP-GOEBONIOSA-N 0 3 260.381 3.264 20 30 CGEDHN N=C(NC1CCCCCC1)c1ccc(Cl)cn1 ZINC001255881498 806780564 /nfs/dbraw/zinc/78/05/64/806780564.db2.gz KPIABPZIPJHUDY-UHFFFAOYSA-N 0 3 251.761 3.163 20 30 CGEDHN C[C@@H](CC(C)(C)C#N)NCc1cnn(Cc2ccccc2)c1 ZINC000695863847 799836556 /nfs/dbraw/zinc/83/65/56/799836556.db2.gz KGIUWNBZNWAWIX-HNNXBMFYSA-N 0 3 296.418 3.349 20 30 CGEDHN C#C[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000702284618 799906176 /nfs/dbraw/zinc/90/61/76/799906176.db2.gz ZYTJOVPZTOSULM-AWEZNQCLSA-N 0 3 260.337 3.041 20 30 CGEDHN C#Cc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000809551732 800445380 /nfs/dbraw/zinc/44/53/80/800445380.db2.gz GQUHVLYXYGSBSV-FQEVSTJZSA-N 0 3 291.394 3.414 20 30 CGEDHN C[C@]1(C2CC2)CN(CCCCC2(C#N)CCC2)CCO1 ZINC000930922841 800652255 /nfs/dbraw/zinc/65/22/55/800652255.db2.gz HDQAJBNFRPIYQD-MRXNPFEDSA-N 0 3 276.424 3.351 20 30 CGEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001028050495 800830412 /nfs/dbraw/zinc/83/04/12/800830412.db2.gz SOZDMUKLZVOZPF-MRXNPFEDSA-N 0 3 298.430 3.253 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028338818 800842430 /nfs/dbraw/zinc/84/24/30/800842430.db2.gz IASJADOFIAXTOC-GOSISDBHSA-N 0 3 298.430 3.334 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001029453783 800868931 /nfs/dbraw/zinc/86/89/31/800868931.db2.gz KRQANSOEFIPPLK-PNBKFKSVSA-N 0 3 296.430 3.012 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001032387972 800927943 /nfs/dbraw/zinc/92/79/43/800927943.db2.gz BIYQCAJEVFDKJQ-HOTGVXAUSA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C)(C)CC1 ZINC001032808113 800936577 /nfs/dbraw/zinc/93/65/77/800936577.db2.gz JTFNODCWVCHGGC-HOTGVXAUSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033459138 800966477 /nfs/dbraw/zinc/96/64/77/800966477.db2.gz ZLNREFPOVTTWLN-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001034185625 801009949 /nfs/dbraw/zinc/00/99/49/801009949.db2.gz TXMBGCFPWUBJRX-CQSZACIVSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034354566 801019929 /nfs/dbraw/zinc/01/99/29/801019929.db2.gz MUCWIRQZFUTBNU-JKSUJKDBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034502073 801029695 /nfs/dbraw/zinc/02/96/95/801029695.db2.gz CLVSBHVMUIWOOV-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034520416 801032284 /nfs/dbraw/zinc/03/22/84/801032284.db2.gz WHSASAUOPBDIRO-MRXNPFEDSA-N 0 3 286.419 3.074 20 30 CGEDHN C=CCN1CCCC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001034547502 801033927 /nfs/dbraw/zinc/03/39/27/801033927.db2.gz RAOQHZMVGMEAOC-PQUAAJSLSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038268973 801123428 /nfs/dbraw/zinc/12/34/28/801123428.db2.gz KZZLAMXEMRKBPZ-HRCADAONSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCCCC1 ZINC001039363835 801160132 /nfs/dbraw/zinc/16/01/32/801160132.db2.gz YMHSWPKWKXHFKL-SJORKVTESA-N 0 3 288.435 3.128 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001039897091 801168561 /nfs/dbraw/zinc/16/85/61/801168561.db2.gz UCJZIQAUYKSCQA-SOLBZPMBSA-N 0 3 292.467 3.310 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(C/C=C\Cl)CC2)C1 ZINC001052693712 801448339 /nfs/dbraw/zinc/44/83/39/801448339.db2.gz XZZARXIUEQEUFI-HJHHMULASA-N 0 3 296.842 3.066 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CC2CCCCC2)CC[C@H]1C ZINC001071335375 801531010 /nfs/dbraw/zinc/53/10/10/801531010.db2.gz VCUWMDVAEDCKDG-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1C[C@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457616 801537248 /nfs/dbraw/zinc/53/72/48/801537248.db2.gz KHQDYGZCTNYLGL-GOEBONIOSA-N 0 3 276.424 3.032 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC(=C)CC2)CC[C@@H]1C ZINC001071794801 801551378 /nfs/dbraw/zinc/55/13/78/801551378.db2.gz FQUAPNDKZLFPOC-RDJZCZTQSA-N 0 3 290.451 3.278 20 30 CGEDHN C=Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(CC(=C)C)C2)cc1 ZINC001071828301 801553385 /nfs/dbraw/zinc/55/33/85/801553385.db2.gz MNUJPPPPGUBROF-QAPCUYQASA-N 0 3 298.430 3.488 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001079867814 801646316 /nfs/dbraw/zinc/64/63/16/801646316.db2.gz RHDOUXVVKVOGGA-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001080560753 801654783 /nfs/dbraw/zinc/65/47/83/801654783.db2.gz ZFPWLFZUVGSOCZ-ZYHUDNBSSA-N 0 3 298.839 3.028 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1occc1Cl ZINC001085802332 801705879 /nfs/dbraw/zinc/70/58/79/801705879.db2.gz QZURPPFSDIHMTF-GFCCVEGCSA-N 0 3 296.798 3.046 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1CC ZINC001087531745 801755368 /nfs/dbraw/zinc/75/53/68/801755368.db2.gz YSHXDGZOJKTTNN-LSDHHAIUSA-N 0 3 290.407 3.055 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1CC ZINC001087796069 801768989 /nfs/dbraw/zinc/76/89/89/801768989.db2.gz HDFMCGZNOLRVOQ-LSDHHAIUSA-N 0 3 290.407 3.001 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@H]1C ZINC001089000555 801816018 /nfs/dbraw/zinc/81/60/18/801816018.db2.gz LSLCHOUHMYSANK-QAPCUYQASA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001089072119 801820749 /nfs/dbraw/zinc/82/07/49/801820749.db2.gz KXTRSEODFSMLIW-NEPJUHHUSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC(C)(C)C1)C2 ZINC001095908968 801888127 /nfs/dbraw/zinc/88/81/27/801888127.db2.gz FFHARDCQTWFMBP-PMPSAXMXSA-N 0 3 290.451 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1=CCCCC1)C2 ZINC001096883236 801896339 /nfs/dbraw/zinc/89/63/39/801896339.db2.gz AQTPIEOYPCAMIQ-ZACQAIPSSA-N 0 3 288.435 3.175 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)ccc2C)C1 ZINC001099136388 801930019 /nfs/dbraw/zinc/93/00/19/801930019.db2.gz CNELAPLYEHHEIE-LPHOPBHVSA-N 0 3 298.430 3.074 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCC1CC1 ZINC001099189841 801932007 /nfs/dbraw/zinc/93/20/07/801932007.db2.gz XVHYSTYSVZBNMW-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001099360557 801935421 /nfs/dbraw/zinc/93/54/21/801935421.db2.gz YPNPXSUJHOXSNM-HOCLYGCPSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001109607321 802119562 /nfs/dbraw/zinc/11/95/62/802119562.db2.gz SLWMWNKHQFIQBU-ILXRZTDVSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCCC)C2 ZINC001110519399 802144068 /nfs/dbraw/zinc/14/40/68/802144068.db2.gz UVDBTFGCPZBZPM-FPCVCCKLSA-N 0 3 278.440 3.110 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(C)(C)C)C2 ZINC001111105858 802154957 /nfs/dbraw/zinc/15/49/57/802154957.db2.gz QBNAEALFWSHRHW-FPCVCCKLSA-N 0 3 292.467 3.356 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001111176333 802157292 /nfs/dbraw/zinc/15/72/92/802157292.db2.gz KNOJRQCDPTVWEH-JJXSEGSLSA-N 0 3 278.440 3.110 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC2(C)CCCC2)CC1 ZINC001112818620 802191707 /nfs/dbraw/zinc/19/17/07/802191707.db2.gz MZVXGZRLNXDPQZ-MRXNPFEDSA-N 0 3 292.467 3.456 20 30 CGEDHN C=C(C)CCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112901539 802196120 /nfs/dbraw/zinc/19/61/20/802196120.db2.gz SCLHWVJOKIQUGN-UHFFFAOYSA-N 0 3 292.467 3.457 20 30 CGEDHN C#CCCCCCC(=O)N1CCN(CC(CC)CC)CC1 ZINC001113205525 802204714 /nfs/dbraw/zinc/20/47/14/802204714.db2.gz VHWHBUNZPOIROS-UHFFFAOYSA-N 0 3 292.467 3.151 20 30 CGEDHN CC#CCCCC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113232014 802208432 /nfs/dbraw/zinc/20/84/32/802208432.db2.gz ALOKBKYQUDELJZ-KRWDZBQOSA-N 0 3 292.467 3.006 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001113491083 802227256 /nfs/dbraw/zinc/22/72/56/802227256.db2.gz XSOWKFLNUJUFTM-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCCCCC ZINC001115163454 802254457 /nfs/dbraw/zinc/25/44/57/802254457.db2.gz HBLUMJAUZLATDI-VQFNDLOPSA-N 0 3 292.467 3.360 20 30 CGEDHN Cc1c([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC001116478135 802362079 /nfs/dbraw/zinc/36/20/79/802362079.db2.gz XAVPDDQLMNARSL-XIKOKIGWSA-N 0 3 294.402 3.328 20 30 CGEDHN N#CCC1(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001119252364 802639413 /nfs/dbraw/zinc/63/94/13/802639413.db2.gz BZXMJZBLOQPBOI-CQSZACIVSA-N 0 3 294.402 3.436 20 30 CGEDHN COC1(CNCC#Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001119301114 802644438 /nfs/dbraw/zinc/64/44/38/802644438.db2.gz QLTKXTNJJJPLOX-UHFFFAOYSA-N 0 3 297.320 3.216 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1CC ZINC001122036103 802858346 /nfs/dbraw/zinc/85/83/46/802858346.db2.gz NULUYXPROUNSIF-IAGOWNOFSA-N 0 3 286.419 3.034 20 30 CGEDHN N#CCCc1ccc(NC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC001122254111 802864544 /nfs/dbraw/zinc/86/45/44/802864544.db2.gz OVKQUQNABMPTKK-KRWDZBQOSA-N 0 3 299.418 3.379 20 30 CGEDHN COC(=O)C1(C#N)CCN(C[C@@H](C)CCC=C(C)C)CC1 ZINC001201498773 811869172 /nfs/dbraw/zinc/86/91/72/811869172.db2.gz AFJHUYYCFSADDO-HNNXBMFYSA-N 0 3 292.423 3.148 20 30 CGEDHN CN1CCc2cc(C3=CC[C@H](C#N)CC3)ccc2C1 ZINC001243793702 803011895 /nfs/dbraw/zinc/01/18/95/803011895.db2.gz NIQHLALJTNLPCA-ZDUSSCGKSA-N 0 3 252.361 3.382 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC001125878795 803078254 /nfs/dbraw/zinc/07/82/54/803078254.db2.gz HQDRJBUARIJBOA-GDBMZVCRSA-N 0 3 286.419 3.108 20 30 CGEDHN N#Cc1cc(-c2cccc(C3=NCCC3)c2)ccc1N ZINC001244117680 803195264 /nfs/dbraw/zinc/19/52/64/803195264.db2.gz CXUSQDVFXGQUPO-UHFFFAOYSA-N 0 3 261.328 3.390 20 30 CGEDHN N#Cc1ccc(-c2cnccc2N2CCOCC2)c(Cl)c1 ZINC001244330447 803308943 /nfs/dbraw/zinc/30/89/43/803308943.db2.gz LKTDLHGEHRVCJP-UHFFFAOYSA-N 0 3 299.761 3.110 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132219071 803380324 /nfs/dbraw/zinc/38/03/24/803380324.db2.gz ZNQRNNNSKMOXGO-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132241088 803385864 /nfs/dbraw/zinc/38/58/64/803385864.db2.gz QOGBZOFFXMKSHY-CABCVRRESA-N 0 3 292.467 3.051 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CC(CC)CC)CC[C@@H]1C ZINC001132392570 803399279 /nfs/dbraw/zinc/39/92/79/803399279.db2.gz MNQFYFMFOGAIEK-HOCLYGCPSA-N 0 3 280.456 3.358 20 30 CGEDHN C=CCN1CCC(NC(=O)/C=C(/C)c2ccccc2C)CC1 ZINC001136669896 803649474 /nfs/dbraw/zinc/64/94/74/803649474.db2.gz UOJNSMKXOROORM-PEZBUJJGSA-N 0 3 298.430 3.165 20 30 CGEDHN N#CCC1CCN(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001137339971 803719414 /nfs/dbraw/zinc/71/94/14/803719414.db2.gz LQDGTIFFAJNNMA-UHFFFAOYSA-N 0 3 271.339 3.433 20 30 CGEDHN CC(C)(C)c1ccc(CN2CCC3SC(=O)C=C3C2)[nH]1 ZINC001137373754 803724763 /nfs/dbraw/zinc/72/47/63/803724763.db2.gz LWXIDBZJTFYOEE-CYBMUJFWSA-N 0 3 290.432 3.086 20 30 CGEDHN N#CCCc1cccc(C2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001245424847 803733573 /nfs/dbraw/zinc/73/35/73/803733573.db2.gz OFAPBURVOAJNIX-LJQANCHMSA-N 0 3 296.414 3.411 20 30 CGEDHN COc1ccc(CN2CCC[C@H](C)[C@H](C)C2)c(C#N)c1 ZINC001137699507 803761241 /nfs/dbraw/zinc/76/12/41/803761241.db2.gz JWEAHTWLYKARTK-UONOGXRCSA-N 0 3 272.392 3.435 20 30 CGEDHN Cc1ccc(C#N)c(-c2cnccc2/C=C/N(C)C)c1 ZINC001245605944 803850613 /nfs/dbraw/zinc/85/06/13/803850613.db2.gz OGARVRSZNMAUFV-VQHVLOKHSA-N 0 3 263.344 3.461 20 30 CGEDHN CCOc1cccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001138101232 803854340 /nfs/dbraw/zinc/85/43/40/803854340.db2.gz RUAZULLEVLOOGZ-PHZGNYQRSA-N 0 3 270.376 3.352 20 30 CGEDHN C#C[C@H]1CCCN(Cc2ccc(N3CCCCC3)o2)C1 ZINC001138177097 803873189 /nfs/dbraw/zinc/87/31/89/803873189.db2.gz GFBJNBTUROHNRO-HNNXBMFYSA-N 0 3 272.392 3.115 20 30 CGEDHN C=CCN(CC=C)Cc1ccc2c(c1)CCCN2C ZINC001138356485 803901133 /nfs/dbraw/zinc/90/11/33/803901133.db2.gz PBSMAYNSSSBYCW-UHFFFAOYSA-N 0 3 256.393 3.243 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@@H](F)C2)c1[O-] ZINC001138625505 803982172 /nfs/dbraw/zinc/98/21/72/803982172.db2.gz MQVOEZFVWPMGPO-OAHLLOKOSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCCC[C@@H](F)C2)c1[O-] ZINC001138625505 803982174 /nfs/dbraw/zinc/98/21/74/803982174.db2.gz MQVOEZFVWPMGPO-OAHLLOKOSA-N 0 3 263.356 3.445 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC3(CC3)CC2)c1[O-] ZINC001138624333 803983251 /nfs/dbraw/zinc/98/32/51/803983251.db2.gz DPUHYIRDRGSKNW-UHFFFAOYSA-N 0 3 257.377 3.497 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC001138628563 803984754 /nfs/dbraw/zinc/98/47/54/803984754.db2.gz XHAOUCNZBCVBRP-HNNXBMFYSA-N 0 3 279.330 3.352 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC001138628563 803984759 /nfs/dbraw/zinc/98/47/59/803984759.db2.gz XHAOUCNZBCVBRP-HNNXBMFYSA-N 0 3 279.330 3.352 20 30 CGEDHN C=CCc1cccc(C[NH+]2CCC(SC)CC2)c1[O-] ZINC001138628357 803986585 /nfs/dbraw/zinc/98/65/85/803986585.db2.gz SYNOGMHLDSRGLM-UHFFFAOYSA-N 0 3 277.433 3.448 20 30 CGEDHN C=C(C)COc1ccccc1CN(C)CCSC ZINC001138666485 803999868 /nfs/dbraw/zinc/99/98/68/803999868.db2.gz UYLKZIZYJFBLCJ-UHFFFAOYSA-N 0 3 265.422 3.436 20 30 CGEDHN COc1ccc2c(c1)c(CN1CCC[C@@H](CC#N)C1)cn2C ZINC001139150537 804137696 /nfs/dbraw/zinc/13/76/96/804137696.db2.gz PLHWMEHJLHKDJG-AWEZNQCLSA-N 0 3 297.402 3.313 20 30 CGEDHN COCC[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC001139527263 804202246 /nfs/dbraw/zinc/20/22/46/804202246.db2.gz CVOBOSPSUJEZHN-HNNXBMFYSA-N 0 3 276.355 3.088 20 30 CGEDHN C[C@H]1C[C@H]2CN(Cc3c[nH]c4c3cccc4C#N)CC[C@H]2O1 ZINC001139702705 804258707 /nfs/dbraw/zinc/25/87/07/804258707.db2.gz FQLJAYREICWFFF-RVSPLBMKSA-N 0 3 295.386 3.039 20 30 CGEDHN CN(Cc1cc(C#N)ccc1Cl)CC1CCOCC1 ZINC001140599849 804471687 /nfs/dbraw/zinc/47/16/87/804471687.db2.gz UEDAMFFIVVGYLK-UHFFFAOYSA-N 0 3 278.783 3.070 20 30 CGEDHN Cc1cc(CN2CCC[C@H](C#N)CC2)cc(C)c1O ZINC001140658942 804485897 /nfs/dbraw/zinc/48/58/97/804485897.db2.gz HCPXRSHDCLDHKT-AWEZNQCLSA-N 0 3 258.365 3.135 20 30 CGEDHN COc1cc(C)c(CN2CCC(C)(C#N)CC2)c(C)c1 ZINC001142942396 804787755 /nfs/dbraw/zinc/78/77/55/804787755.db2.gz REAVXTRZMQCIMW-UHFFFAOYSA-N 0 3 272.392 3.438 20 30 CGEDHN N#Cc1ccc(C2CCN(Cc3ccc(O)cn3)CC2)cc1 ZINC001144263228 804963233 /nfs/dbraw/zinc/96/32/33/804963233.db2.gz PHZDMDPUUSGYFA-UHFFFAOYSA-N 0 3 293.370 3.038 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CCC[C@@H](CC#N)C1 ZINC001248751605 804984482 /nfs/dbraw/zinc/98/44/82/804984482.db2.gz CLGLQZFHXTVVNQ-AWEZNQCLSA-N 0 3 267.376 3.246 20 30 CGEDHN C#Cc1ccc(CN2CCC(Oc3cccnc3)CC2)cc1 ZINC001144573976 805009829 /nfs/dbraw/zinc/00/98/29/805009829.db2.gz WSGAGODXMOJNHG-UHFFFAOYSA-N 0 3 292.382 3.106 20 30 CGEDHN Cn1cc(CN2CCC(S)CC2)c2c1ccnc2Cl ZINC001248837918 805014680 /nfs/dbraw/zinc/01/46/80/805014680.db2.gz XOSGEONWZCRQOD-UHFFFAOYSA-N 0 3 295.839 3.121 20 30 CGEDHN CSC1CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429397 805146282 /nfs/dbraw/zinc/14/62/82/805146282.db2.gz ZPYMXIIWHRTNJZ-UHFFFAOYSA-N 0 3 285.416 3.367 20 30 CGEDHN COC1(C)CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249426284 805146599 /nfs/dbraw/zinc/14/65/99/805146599.db2.gz LFKXRIMIVSMZPA-UHFFFAOYSA-N 0 3 283.375 3.040 20 30 CGEDHN N#Cc1ccc2cc(CN3CCC4(CC4)C3)[nH]c2c1 ZINC001249427329 805147329 /nfs/dbraw/zinc/14/73/29/805147329.db2.gz ZIQJPEVJPXVXRQ-UHFFFAOYSA-N 0 3 251.333 3.025 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@@H](F)CCCCCC)C2)C1 ZINC001148611921 805199481 /nfs/dbraw/zinc/19/94/81/805199481.db2.gz RWZUXRINVSQMPI-HNNXBMFYSA-N 0 3 296.430 3.015 20 30 CGEDHN CCCCCN1CCN(Cc2cccc(C#N)c2F)CC1 ZINC001249685831 805210753 /nfs/dbraw/zinc/21/07/53/805210753.db2.gz SCMVXZMBYQMXCF-UHFFFAOYSA-N 0 3 289.398 3.005 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)CCCC3CCCC3)C2)C1 ZINC001148861490 805213039 /nfs/dbraw/zinc/21/30/39/805213039.db2.gz DKZHIJDIYWGWJR-UHFFFAOYSA-N 0 3 290.451 3.067 20 30 CGEDHN CN(C)c1cc(F)cc(CN2CCC(CC#N)CC2)c1 ZINC001249955424 805321977 /nfs/dbraw/zinc/32/19/77/805321977.db2.gz MEYJYPJIBBCMOF-UHFFFAOYSA-N 0 3 275.371 3.017 20 30 CGEDHN N#Cc1ccc(C2CCC(n3cncc3CN)CC2)cc1 ZINC001257009533 807026109 /nfs/dbraw/zinc/02/61/09/807026109.db2.gz LXKWPDOXAIUNCR-UHFFFAOYSA-N 0 3 280.375 3.112 20 30 CGEDHN CCC[C@H](C)CC[C@@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001257478026 807176153 /nfs/dbraw/zinc/17/61/53/807176153.db2.gz QAOJWVXTEOJUIO-FQUUOJAGSA-N 0 3 272.433 3.101 20 30 CGEDHN C=C(C)CCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167412710 807191794 /nfs/dbraw/zinc/19/17/94/807191794.db2.gz QEBTXJTXXPZZRZ-OKILXGFUSA-N 0 3 282.428 3.282 20 30 CGEDHN C#CCN(CC)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001167578057 807208440 /nfs/dbraw/zinc/20/84/40/807208440.db2.gz WXXZOHNXFIXXDF-SJORKVTESA-N 0 3 257.377 3.252 20 30 CGEDHN CCCCCCC[C@H](C)N1CCC(=O)[C@H](C(=O)OCC)C1 ZINC001258044773 807273331 /nfs/dbraw/zinc/27/33/31/807273331.db2.gz UWGFUDZOWKGIJD-LSDHHAIUSA-N 0 3 297.439 3.190 20 30 CGEDHN CCCCCCC[C@H](C)N1CCC(O)=C(C(=O)OCC)C1 ZINC001258044773 807273333 /nfs/dbraw/zinc/27/33/33/807273333.db2.gz UWGFUDZOWKGIJD-LSDHHAIUSA-N 0 3 297.439 3.190 20 30 CGEDHN C[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258553646 807492783 /nfs/dbraw/zinc/49/27/83/807492783.db2.gz KLKFKBXWSYDODS-STQMWFEESA-N 0 3 295.427 3.056 20 30 CGEDHN N#Cc1coc(CN[C@@H]2Cc3cccc(Cl)c3C2)c1 ZINC001168717082 807495142 /nfs/dbraw/zinc/49/51/42/807495142.db2.gz ZHCGKVBWOCHDKP-GFCCVEGCSA-N 0 3 272.735 3.062 20 30 CGEDHN N#CCOc1cccc(CN[C@@H]2CCCc3ncccc32)c1 ZINC001261852385 807795458 /nfs/dbraw/zinc/79/54/58/807795458.db2.gz BFRREFGUTRBQKW-GOSISDBHSA-N 0 3 293.370 3.151 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1sc(C)nc1CC(C)C ZINC001263089821 807933078 /nfs/dbraw/zinc/93/30/78/807933078.db2.gz UMAOVTQKEOAYGB-GFCCVEGCSA-N 0 3 295.452 3.272 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1cc2ccccc2o1 ZINC001263089201 807933145 /nfs/dbraw/zinc/93/31/45/807933145.db2.gz CFRINPZUGVNWPH-HNNXBMFYSA-N 0 3 286.375 3.075 20 30 CGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC001263089715 807933235 /nfs/dbraw/zinc/93/32/35/807933235.db2.gz QGSQJFTUSATLCI-HNNXBMFYSA-N 0 3 299.374 3.272 20 30 CGEDHN CC[C@@H](F)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC001263314032 807947252 /nfs/dbraw/zinc/94/72/52/807947252.db2.gz COMRTNXIPBUTQU-RKDXNWHRSA-N 0 3 295.264 3.356 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001263617128 807978750 /nfs/dbraw/zinc/97/87/50/807978750.db2.gz VTGMIODMRCCAGF-GNFNDJEDSA-N 0 3 297.402 3.296 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)n1nc(CN)c2ccccc21 ZINC001171181233 808002105 /nfs/dbraw/zinc/00/21/05/808002105.db2.gz IRILEXNIWTZULD-ZDUSSCGKSA-N 0 3 290.370 3.170 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](C)c1cscn1 ZINC001171180554 808002385 /nfs/dbraw/zinc/00/23/85/808002385.db2.gz BBTSHXIOYZIJKG-VXGBXAGGSA-N 0 3 271.389 3.297 20 30 CGEDHN COc1cccc(F)c1CN[C@@H](C)Cc1cccc(C#N)c1 ZINC001171182819 808002496 /nfs/dbraw/zinc/00/24/96/808002496.db2.gz ZATVRTSHPWZPAK-ZDUSSCGKSA-N 0 3 298.361 3.427 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(C)(C#N)CC1 ZINC001171224270 808013100 /nfs/dbraw/zinc/01/31/00/808013100.db2.gz QNELHJBJRTVJBV-CQSZACIVSA-N 0 3 267.376 3.115 20 30 CGEDHN CC[C@H](CC#N)N[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349295 808032684 /nfs/dbraw/zinc/03/26/84/808032684.db2.gz HYWFLUUHOKTNAQ-OLZOCXBDSA-N 0 3 264.319 3.104 20 30 CGEDHN N#Cc1coc(CN[C@@H]2CCc3c(F)cc(F)cc3C2)c1 ZINC001171361126 808035648 /nfs/dbraw/zinc/03/56/48/808035648.db2.gz UEPUBJPIPWBNKL-CYBMUJFWSA-N 0 3 288.297 3.077 20 30 CGEDHN N#CCC1CCN([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171381963 808041039 /nfs/dbraw/zinc/04/10/39/808041039.db2.gz WGABVVGJQGWRIN-HNNXBMFYSA-N 0 3 290.357 3.448 20 30 CGEDHN C#CCCCCCC(=O)N1CCCC[C@H]1CN(C)CC=C ZINC001264742753 808089759 /nfs/dbraw/zinc/08/97/59/808089759.db2.gz FPOPAJHWQVTLBW-KRWDZBQOSA-N 0 3 290.451 3.069 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)C[C@H](C)CCC)CC(C)(C)C1 ZINC001264749550 808092146 /nfs/dbraw/zinc/09/21/46/808092146.db2.gz FYZFYGDLQNLUPM-CVEARBPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CCN(CCCNC(=O)c1ccccc1C(C)C)C1CC1 ZINC001265164648 808115969 /nfs/dbraw/zinc/11/59/69/808115969.db2.gz PLJZHXKBCOIILJ-UHFFFAOYSA-N 0 3 298.430 3.028 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001265235087 808121905 /nfs/dbraw/zinc/12/19/05/808121905.db2.gz IFCDBQWDLSMKEF-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001265306339 808129165 /nfs/dbraw/zinc/12/91/65/808129165.db2.gz NWKABMCGGGYBFK-RDJZCZTQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C[C@H](CC)CC(=O)NCCN(C)Cc1ccc(C)cc1 ZINC001266312061 808239172 /nfs/dbraw/zinc/23/91/72/808239172.db2.gz QIVYTOXLTVMYAB-MRXNPFEDSA-N 0 3 288.435 3.145 20 30 CGEDHN CCCCCCC[C@@H](CC)N1CCO[C@H](COC)C1 ZINC001172362276 808256358 /nfs/dbraw/zinc/25/63/58/808256358.db2.gz TWRIUZLOUUSAMC-CVEARBPZSA-N 0 3 271.445 3.473 20 30 CGEDHN C=CCN(CC)CCNC(=O)[C@H](C)CC1CCCCC1 ZINC001266431743 808262696 /nfs/dbraw/zinc/26/26/96/808262696.db2.gz LJZFWZXCUUXZPE-OAHLLOKOSA-N 0 3 280.456 3.217 20 30 CGEDHN C[C@@H](CCCC#N)N(C)Cc1cccc(F)c1F ZINC001172510228 808366357 /nfs/dbraw/zinc/36/63/57/808366357.db2.gz XTXAVXRBTSJVIE-NSHDSACASA-N 0 3 252.308 3.479 20 30 CGEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)c1ccccc1 ZINC001267151912 808368011 /nfs/dbraw/zinc/36/80/11/808368011.db2.gz FTKPYZONQBKPGR-ZIAGYGMSSA-N 0 3 294.826 3.027 20 30 CGEDHN C=CCN(C)CCNC(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001267216726 808383333 /nfs/dbraw/zinc/38/33/33/808383333.db2.gz YUKFERJVTVAXRS-MRXNPFEDSA-N 0 3 288.435 3.113 20 30 CGEDHN C#CCCN[C@@H](CNC(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC001267518268 808437934 /nfs/dbraw/zinc/43/79/34/808437934.db2.gz ZDKZFANWXRRXEH-QOHRORDFSA-N 0 3 298.430 3.059 20 30 CGEDHN CCN(CCC#N)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912907 808477591 /nfs/dbraw/zinc/47/75/91/808477591.db2.gz CWOMBSYUKNYEJC-HNNXBMFYSA-N 0 3 287.363 3.078 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)CCCCC)C1 ZINC001267773424 808488427 /nfs/dbraw/zinc/48/84/27/808488427.db2.gz NDGFJIBIEBNBNW-JKSUJKDBSA-N 0 3 280.456 3.312 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)C2CCCCC2)CCCC1 ZINC001267831684 808503203 /nfs/dbraw/zinc/50/32/03/808503203.db2.gz GOQPCVJQXWUTHJ-UHFFFAOYSA-N 0 3 298.858 3.338 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1ccc(C)c2ccccc12 ZINC001268250117 808570373 /nfs/dbraw/zinc/57/03/73/808570373.db2.gz IOQCKGMZTQOZBF-UHFFFAOYSA-N 0 3 296.414 3.338 20 30 CGEDHN CC#CCNC/C=C/CNC(=O)CCCC1CCCCC1 ZINC001268621990 808600821 /nfs/dbraw/zinc/60/08/21/808600821.db2.gz ZMNYGEJNIMHUJM-BQYQJAHWSA-N 0 3 290.451 3.022 20 30 CGEDHN N#CCC1CCC(N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001173336537 808617072 /nfs/dbraw/zinc/61/70/72/808617072.db2.gz CTRRYXHIVVZOSR-KVZIAJEVSA-N 0 3 298.430 3.402 20 30 CGEDHN N#CCC1CCC(NCC(=O)c2cc(F)ccc2F)CC1 ZINC001173333505 808617855 /nfs/dbraw/zinc/61/78/55/808617855.db2.gz NQMJLODSUWODDU-UHFFFAOYSA-N 0 3 292.329 3.210 20 30 CGEDHN N#CCC1CCC(N2CCc3cnc(C4CC4)nc3C2)CC1 ZINC001173341536 808621793 /nfs/dbraw/zinc/62/17/93/808621793.db2.gz ZBTOLYYLPGNFFD-UHFFFAOYSA-N 0 3 296.418 3.185 20 30 CGEDHN CC1(C#N)CCC(NCc2nc3ccccc3o2)CC1 ZINC001173590041 808647000 /nfs/dbraw/zinc/64/70/00/808647000.db2.gz SBXMPCACJGPDEP-UHFFFAOYSA-N 0 3 269.348 3.390 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001269211054 808656958 /nfs/dbraw/zinc/65/69/58/808656958.db2.gz QTIBYQNFGHIMMZ-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001269303202 808668469 /nfs/dbraw/zinc/66/84/69/808668469.db2.gz ZMYNSDORACFHQT-DLBZAZTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=CC(C)(C)CC(=O)NC1(CNCC(=C)Cl)CCCC1 ZINC001269549146 808688255 /nfs/dbraw/zinc/68/82/55/808688255.db2.gz FDFYCQXYACNEOB-UHFFFAOYSA-N 0 3 298.858 3.360 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCC2(C)C)CCCC1 ZINC001269572477 808688695 /nfs/dbraw/zinc/68/86/95/808688695.db2.gz VJXLBTTWOMPJGY-CYBMUJFWSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001270642784 808741313 /nfs/dbraw/zinc/74/13/13/808741313.db2.gz OGMNMVPZVBURLT-CRAIPNDOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(C)C[C@H](C)NC(=O)C1(CC=C)CCCCC1 ZINC001275729445 808959695 /nfs/dbraw/zinc/95/96/95/808959695.db2.gz MOWLNBGWVQNGDA-HNNXBMFYSA-N 0 3 278.440 3.136 20 30 CGEDHN Cc1cnccc1Nc1ccc(N2CCCC2)c(C#N)c1 ZINC001174539535 809072741 /nfs/dbraw/zinc/07/27/41/809072741.db2.gz KWKKFYVNNWMHHI-UHFFFAOYSA-N 0 3 278.359 3.027 20 30 CGEDHN Cc1cnccc1Nc1cccc(Br)c1C#N ZINC001174539645 809072811 /nfs/dbraw/zinc/07/28/11/809072811.db2.gz OKDKOGIWRZSJCG-UHFFFAOYSA-N 0 3 288.148 3.190 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)CC2CCCCC2)C1 ZINC001278358869 809127318 /nfs/dbraw/zinc/12/73/18/809127318.db2.gz ZXBNZPUULHLJNA-KRWDZBQOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN(C)CCN(C(=O)[C@H]1CCCC2(CC2)C1)C(C)C ZINC001278908734 809155858 /nfs/dbraw/zinc/15/58/58/809155858.db2.gz XJRHEZGYOHNAGE-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)CC(C)C)C[C@H]1C ZINC001281684734 809217792 /nfs/dbraw/zinc/21/77/92/809217792.db2.gz KFPDUSHCWOAAGC-CVEARBPZSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccccc1F ZINC001282133091 809233275 /nfs/dbraw/zinc/23/32/75/809233275.db2.gz JOPLYRUUYINEMS-KGLIPLIRSA-N 0 3 292.398 3.165 20 30 CGEDHN C/C=C\C[C@@H]1CCCN(Cc2cc(C#N)ccn2)C1 ZINC001175055092 809255577 /nfs/dbraw/zinc/25/55/77/809255577.db2.gz UMCPLYPNAMJYAD-PYLYLYNFSA-N 0 3 255.365 3.131 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC001283191073 809272125 /nfs/dbraw/zinc/27/21/25/809272125.db2.gz HIJYLTNGRKETPZ-OLZOCXBDSA-N 0 3 288.863 3.296 20 30 CGEDHN C=CCCCC(=O)N[C@]12CCC[C@H]1N(C[C@@H](F)CC)CC2 ZINC001284070325 809294902 /nfs/dbraw/zinc/29/49/02/809294902.db2.gz SKXJAUOFRKCCMP-UXLLHSPISA-N 0 3 296.430 3.204 20 30 CGEDHN CC#CCCCC(=O)N[C@@H]1CCCN(CC=C(C)C)[C@@H]1C ZINC001284129472 809297536 /nfs/dbraw/zinc/29/75/36/809297536.db2.gz IJJONBMUNOHWMF-IAGOWNOFSA-N 0 3 290.451 3.115 20 30 CGEDHN C=CCN(C)CCN(C(=O)c1ccccc1CC)C(C)C ZINC001284544150 809307880 /nfs/dbraw/zinc/30/78/80/809307880.db2.gz DVXPVXCSXISHRY-UHFFFAOYSA-N 0 3 288.435 3.217 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)C1CCC=CCC1)C(C)C ZINC001284558118 809308976 /nfs/dbraw/zinc/30/89/76/809308976.db2.gz IREYSBDQKWCFTE-UHFFFAOYSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCN1CC=C(CNC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001284995827 809321553 /nfs/dbraw/zinc/32/15/53/809321553.db2.gz SRTWGTIOAMLAHC-KRWDZBQOSA-N 0 3 292.467 3.383 20 30 CGEDHN C=CCN(CC1CCCCC1)C(=O)CN1CCC(C)CC1 ZINC001293383556 809446829 /nfs/dbraw/zinc/44/68/29/809446829.db2.gz PASOXIWSEGWBHJ-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN C#C[C@H]1CCCCN1C[C@@H]1CC2(CO1)CCCCC2 ZINC001176832823 809764381 /nfs/dbraw/zinc/76/43/81/809764381.db2.gz JXVSGXVVWBBVDV-HOTGVXAUSA-N 0 3 261.409 3.214 20 30 CGEDHN C=CCCC(C)(C)CNCc1cn(Cc2ccccc2)nn1 ZINC001179324789 809916441 /nfs/dbraw/zinc/91/64/41/809916441.db2.gz GFNJBXHQRFODAD-UHFFFAOYSA-N 0 3 298.434 3.408 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001182176152 810097409 /nfs/dbraw/zinc/09/74/09/810097409.db2.gz XZVBILJGOZWPRO-CABCVRRESA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCCCCC(=O)N1CC[C@@H](NCCF)C1 ZINC001187367005 810396524 /nfs/dbraw/zinc/39/65/24/810396524.db2.gz JKPORBCRBXPJLU-OAHLLOKOSA-N 0 3 286.435 3.287 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001188187031 810465704 /nfs/dbraw/zinc/46/57/04/810465704.db2.gz CDUQAVUCEAIMHE-MAUKXSAKSA-N 0 3 298.430 3.028 20 30 CGEDHN CC#CCN[C@@H]1CCN(C(=O)[C@](C)(CC)CCCCC)C1 ZINC001188223995 810469132 /nfs/dbraw/zinc/46/91/32/810469132.db2.gz FOCWKYZRCLHEOZ-SJLPKXTDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC001194108126 811016232 /nfs/dbraw/zinc/01/62/32/811016232.db2.gz PIKVSWCHQLISJE-OAHLLOKOSA-N 0 3 280.412 3.040 20 30 CGEDHN N#Cc1cccc(CN2CCC3(CC(F)C3)CC2)c1 ZINC001203757669 812456649 /nfs/dbraw/zinc/45/66/49/812456649.db2.gz QRXZCGJIWBPSIU-UHFFFAOYSA-N 0 3 258.340 3.272 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2)CCC1(F)F ZINC001203900285 812486752 /nfs/dbraw/zinc/48/67/52/812486752.db2.gz YCLYJQUMECPLFE-LBPRGKRZSA-N 0 3 264.319 3.425 20 30 CGEDHN N#Cc1cccc(C2CCN(Cc3cccnc3)CC2)c1 ZINC001204075517 812542074 /nfs/dbraw/zinc/54/20/74/812542074.db2.gz WTBQGCFWAQJZQA-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OCCC)C2)cc1 ZINC001204300301 812604465 /nfs/dbraw/zinc/60/44/65/812604465.db2.gz OSRBPVDTFYXINC-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C#CCN(Cc1ccc2c(c1)OCCCCO2)CC1CC1 ZINC001204640441 812699472 /nfs/dbraw/zinc/69/94/72/812699472.db2.gz KSKOMDVSMPGYIG-UHFFFAOYSA-N 0 3 285.387 3.083 20 30 CGEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C)c(C)c2)no1 ZINC001206094825 813199787 /nfs/dbraw/zinc/19/97/87/813199787.db2.gz WUIZBTXLGSWJCV-UHFFFAOYSA-N 0 3 283.375 3.462 20 30 CGEDHN C=CCN1CCN(C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207185938 813509776 /nfs/dbraw/zinc/50/97/76/813509776.db2.gz KWRXBVQAOUIPRS-NVXWUHKLSA-N 0 3 290.838 3.247 20 30 CGEDHN CCCCCCC/C=C/CN1CC[C@H](NC(C)=O)C1 ZINC001208122878 813698553 /nfs/dbraw/zinc/69/85/53/813698553.db2.gz BBBPRYWMGAFHTQ-SCOAYWHSSA-N 0 3 266.429 3.114 20 30 CGEDHN CCCCCCC/C=C/CN1CCc2nncn2CC1 ZINC001208121251 813698639 /nfs/dbraw/zinc/69/86/39/813698639.db2.gz ZZNCUODEKURPMJ-CMDGGOBGSA-N 0 3 276.428 3.053 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CC(N3CCCCC3)C2)CC1 ZINC001208176460 813728824 /nfs/dbraw/zinc/72/88/24/813728824.db2.gz DMHCBSKCGIKGHO-QGZVFWFLSA-N 0 3 274.452 3.459 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@H](Oc3ncccn3)C2)CC1 ZINC001208179177 813730921 /nfs/dbraw/zinc/73/09/21/813730921.db2.gz PYEUNHFZIILHFL-SJORKVTESA-N 0 3 299.418 3.232 20 30 CGEDHN C[C@@H](CN1CCC(C)(C#N)CC1)OCc1ccccc1 ZINC001208702325 813806073 /nfs/dbraw/zinc/80/60/73/813806073.db2.gz KPDFKYGHMLDZDP-HNNXBMFYSA-N 0 3 272.392 3.217 20 30 CGEDHN C[N@H+](CCCc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC001208851312 813866833 /nfs/dbraw/zinc/86/68/33/813866833.db2.gz WESNTAZJSUWRQK-UHFFFAOYSA-N 0 3 280.371 3.328 20 30 CGEDHN C[N@@H+](CCCc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC001208851312 813866844 /nfs/dbraw/zinc/86/68/44/813866844.db2.gz WESNTAZJSUWRQK-UHFFFAOYSA-N 0 3 280.371 3.328 20 30 CGEDHN N#Cc1ccc(CCCN2CCc3occc3C2)cc1 ZINC001208862715 813871300 /nfs/dbraw/zinc/87/13/00/813871300.db2.gz OOCYFGSESOXVIR-UHFFFAOYSA-N 0 3 266.344 3.142 20 30 CGEDHN C=CCCCN1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001209159700 813952057 /nfs/dbraw/zinc/95/20/57/813952057.db2.gz PUICPPKAJBWWFV-UHFFFAOYSA-N 0 3 299.340 3.189 20 30 CGEDHN C=CCCCCCCCN1C[C@H](F)C[C@H](CO)C1 ZINC001209438924 814039568 /nfs/dbraw/zinc/03/95/68/814039568.db2.gz YFKQIWWTEYDDCB-LSDHHAIUSA-N 0 3 257.393 3.165 20 30 CGEDHN C=C(C)CN(CC)Cc1[nH]c(C)c(C(=O)OCC)c1C ZINC001209610093 814098496 /nfs/dbraw/zinc/09/84/96/814098496.db2.gz AVFKHJRYHPSQOY-UHFFFAOYSA-N 0 3 278.396 3.206 20 30 CGEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(C#N)nc3)cccc21 ZINC001209653864 814106932 /nfs/dbraw/zinc/10/69/32/814106932.db2.gz JAIHDUAFXNTVPY-INIZCTEOSA-N 0 3 294.358 3.082 20 30 CGEDHN C=CCCN(Cc1ccccc1)Cc1cnccc1N ZINC001209734141 814123706 /nfs/dbraw/zinc/12/37/06/814123706.db2.gz LSLXORXSZFHBLP-UHFFFAOYSA-N 0 3 267.376 3.072 20 30 CGEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001211217700 814853450 /nfs/dbraw/zinc/85/34/50/814853450.db2.gz FFSJWJYRURWLKG-IXDOHACOSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001211389222 814888322 /nfs/dbraw/zinc/88/83/22/814888322.db2.gz NOZYJIXYOCQPJF-BRWVUGGUSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCCCCCCCCO[C@H]1CNC[C@H]1C#N ZINC001217834627 815973562 /nfs/dbraw/zinc/97/35/62/815973562.db2.gz YRVNVSHGXQUZLB-CABCVRRESA-N 0 3 250.386 3.031 20 30 CGEDHN C=CCCCCCCCCCO[C@@H]1CNC[C@H]1C#N ZINC001217833975 815973623 /nfs/dbraw/zinc/97/36/23/815973623.db2.gz UPUMWEJYROIMOO-HZPDHXFCSA-N 0 3 264.413 3.421 20 30 CGEDHN CCCCCCC[C@@H](C)OC[C@@H]1COC(C)(C)N1 ZINC001217842308 815975902 /nfs/dbraw/zinc/97/59/02/815975902.db2.gz ZPWSERFYWHIXNU-ZIAGYGMSSA-N 0 3 257.418 3.477 20 30 CGEDHN N#Cc1cccc(-c2ccc(O[C@H]3CCNC[C@@H]3F)cc2)c1 ZINC001218069556 816086210 /nfs/dbraw/zinc/08/62/10/816086210.db2.gz JBFNXVKNZOWQLQ-ROUUACIJSA-N 0 3 296.345 3.304 20 30 CGEDHN C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c([O-])cc(Cl)cc1F ZINC001218457432 816223868 /nfs/dbraw/zinc/22/38/68/816223868.db2.gz NBKPDAWFAGCNTD-DGCLKSJQSA-N 0 3 285.746 3.260 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221853265 816331444 /nfs/dbraw/zinc/33/14/44/816331444.db2.gz CWMYKXSAEMGIRD-BZUAXINKSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C(C)=C/CC ZINC001225147407 816947829 /nfs/dbraw/zinc/94/78/29/816947829.db2.gz OZLPRCDCNGMZPR-VAZNYKRKSA-N 0 3 284.831 3.112 20 30 CGEDHN CC(=O)c1cc(C#N)ccc1OC1CCN(C(C)C)CC1 ZINC001226974075 817521734 /nfs/dbraw/zinc/52/17/34/817521734.db2.gz BLYRIXFKQYSAQG-UHFFFAOYSA-N 0 3 286.375 3.012 20 30 CGEDHN COc1cccc2c(CN3CCC[C@@H](C#N)CC3)c[nH]c21 ZINC001231900027 818207391 /nfs/dbraw/zinc/20/73/91/818207391.db2.gz BYSBBWZODZHHQJ-CYBMUJFWSA-N 0 3 283.375 3.302 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(-n2cnc(C)c2)c(OC)c1 ZINC001232561770 818387101 /nfs/dbraw/zinc/38/71/01/818387101.db2.gz HQBLOGBCUZXHGK-UHFFFAOYSA-N 0 3 297.402 3.363 20 30 CGEDHN C=CCN(CC=C)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232822798 818449075 /nfs/dbraw/zinc/44/90/75/818449075.db2.gz WRKSHOMLUMNXFL-UHFFFAOYSA-N 0 3 261.756 3.390 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233531450 818634724 /nfs/dbraw/zinc/63/47/24/818634724.db2.gz ZFVBWYLMBZGAEQ-NVXWUHKLSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555567 818880555 /nfs/dbraw/zinc/88/05/55/818880555.db2.gz WUBGYSFKNIICTK-CQSZACIVSA-N 0 3 298.858 3.264 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555566 818881505 /nfs/dbraw/zinc/88/15/05/818881505.db2.gz WUBGYSFKNIICTK-AWEZNQCLSA-N 0 3 298.858 3.264 20 30 CGEDHN Cc1ccc(CN2CCN[C@H](c3ccccc3)C2)c(C#N)c1 ZINC001235855457 819186169 /nfs/dbraw/zinc/18/61/69/819186169.db2.gz OBYOBYQLKMCQFE-IBGZPJMESA-N 0 3 291.398 3.013 20 30 CGEDHN CN(C)Cc1cccc(-c2ccc(C3(C#N)CC3)cc2)n1 ZINC001243421344 823400656 /nfs/dbraw/zinc/40/06/56/823400656.db2.gz ZOHUOUGVQLIVKH-UHFFFAOYSA-N 0 3 277.371 3.365 20 30 CGEDHN C[NH+](C)Cc1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001236426471 819473799 /nfs/dbraw/zinc/47/37/99/819473799.db2.gz WBDPLLUEQCRRDF-VCHYOVAHSA-N 0 3 272.323 3.362 20 30 CGEDHN COc1ccc(-c2ccc(C#N)cc2F)cc1CN(C)C ZINC001236531575 819523577 /nfs/dbraw/zinc/52/35/77/819523577.db2.gz CFSKIKNEZNRPLA-UHFFFAOYSA-N 0 3 284.334 3.435 20 30 CGEDHN CCCCN1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237755195 819836859 /nfs/dbraw/zinc/83/68/59/819836859.db2.gz HNCXHHRPVKUAMY-UHFFFAOYSA-N 0 3 291.826 3.129 20 30 CGEDHN C#C[C@H]1CCCN(Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001238000829 819907946 /nfs/dbraw/zinc/90/79/46/819907946.db2.gz PUTZKEJRSKGALB-NSHDSACASA-N 0 3 273.767 3.062 20 30 CGEDHN N#Cc1cc(CN2C[C@H]3CCC[C@@H]3C2)ccc1Cl ZINC001238195861 819953173 /nfs/dbraw/zinc/95/31/73/819953173.db2.gz IZBLHNTZXSXJJY-CHWSQXEVSA-N 0 3 260.768 3.444 20 30 CGEDHN N#Cc1cc(C2=CCN(Cc3ccccc3)CC2)ccn1 ZINC001241502972 821903880 /nfs/dbraw/zinc/90/38/80/821903880.db2.gz DVDCRBOFUQPQCG-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC001340918978 936419561 /nfs/dbraw/zinc/41/95/61/936419561.db2.gz XKNWEMSGQJPGPS-CQSZACIVSA-N 0 3 276.355 3.325 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCc1c(C)oc2ccccc21 ZINC001341908697 936454383 /nfs/dbraw/zinc/45/43/83/936454383.db2.gz HEQFBPXZTSXLHJ-OAHLLOKOSA-N 0 3 286.375 3.041 20 30 CGEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccn1 ZINC001342036630 936457623 /nfs/dbraw/zinc/45/76/23/936457623.db2.gz PWCCIDFHCHPKDY-FQUUOJAGSA-N 0 3 254.333 3.084 20 30 CGEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1cccc(F)n1 ZINC001342559111 936470049 /nfs/dbraw/zinc/47/00/49/936470049.db2.gz SJZOTSXBNOZIIO-MEJMFZKBSA-N 0 3 284.265 3.249 20 30 CGEDHN C[C@H](Cc1ccccc1Cl)NCC(C)(C)C#N ZINC001342711070 936476088 /nfs/dbraw/zinc/47/60/88/936476088.db2.gz XCOJFZUEYRZTSI-LLVKDONJSA-N 0 3 250.773 3.410 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)Cc1ccc(C2CCC2)cc1 ZINC001342926320 936483767 /nfs/dbraw/zinc/48/37/67/936483767.db2.gz YDCQXRDFYMKHIR-MRXNPFEDSA-N 0 3 293.370 3.107 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ncccc1OC ZINC001343409689 936499483 /nfs/dbraw/zinc/49/94/83/936499483.db2.gz QDCLHAOQSPBRCE-CYBMUJFWSA-N 0 3 293.411 3.107 20 30 CGEDHN N#CC(C(=O)C1CC=CC1)c1nccn1Cc1ccccc1 ZINC001343704251 936510931 /nfs/dbraw/zinc/51/09/31/936510931.db2.gz IWOUCQFVSJGFCB-INIZCTEOSA-N 0 3 291.354 3.074 20 30 CGEDHN N#CC(C(=O)C[C@@H]1C=CCCC1)c1cccc(F)n1 ZINC001344622140 936540446 /nfs/dbraw/zinc/54/04/46/936540446.db2.gz QGLHDESWZJTNBS-VXGBXAGGSA-N 0 3 258.296 3.143 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001344864094 936546753 /nfs/dbraw/zinc/54/67/53/936546753.db2.gz LWJTXTPECLXTDI-ZNMIVQPWSA-N 0 3 297.333 3.022 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)CCCC(C)(C)C ZINC001344874730 936547618 /nfs/dbraw/zinc/54/76/18/936547618.db2.gz GLDQLFDYHVKLIX-GFCCVEGCSA-N 0 3 261.369 3.296 20 30 CGEDHN C=C(CC)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001347949694 936903517 /nfs/dbraw/zinc/90/35/17/936903517.db2.gz CJQWVSCRPRJINP-MRXNPFEDSA-N 0 3 286.419 3.076 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)C(C)(C)CC(C)(C)C ZINC001481155010 926899322 /nfs/dbraw/zinc/89/93/22/926899322.db2.gz PUNZIGYKJMORSL-UHFFFAOYSA-N 0 3 294.483 3.300 20 30 CGEDHN C=C(C)CN(CCNC(=O)C1(CCC)CCC1)C1CC1 ZINC001481181885 926902743 /nfs/dbraw/zinc/90/27/43/926902743.db2.gz LDPRSIBCDNLAGB-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCN(CCNC(=O)[C@H](C)CC1CCCCC1)C1CC1 ZINC001481186899 926903466 /nfs/dbraw/zinc/90/34/66/926903466.db2.gz BOZSROPOQXAVJA-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCN(CCNC(=O)CCC1CCCCC1)C1CC1 ZINC001481195208 926905464 /nfs/dbraw/zinc/90/54/64/926905464.db2.gz LCNPJUWYDOBEHR-UHFFFAOYSA-N 0 3 278.440 3.114 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001481675382 927052510 /nfs/dbraw/zinc/05/25/10/927052510.db2.gz MIAFXEVOHPFKFF-PMPSAXMXSA-N 0 3 290.451 3.207 20 30 CGEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001481709447 927067733 /nfs/dbraw/zinc/06/77/33/927067733.db2.gz FRVIXXPHDUFITR-MSOLQXFVSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN(C)CCN(C)C(=O)c1cccc2ccccc21 ZINC001482646544 927339162 /nfs/dbraw/zinc/33/91/62/927339162.db2.gz JHGCCOAQFDHTHG-UHFFFAOYSA-N 0 3 282.387 3.030 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C(C)(CC)CC ZINC001482900434 927374871 /nfs/dbraw/zinc/37/48/71/927374871.db2.gz HJQUZYUENNBVMW-GFCCVEGCSA-N 0 3 274.836 3.050 20 30 CGEDHN C=CCC1(C(=O)N[C@@H](C)CNC[C@H](F)CC)CCCCC1 ZINC001483297472 927474945 /nfs/dbraw/zinc/47/49/45/927474945.db2.gz YKMVIZOTNSWPGD-LSDHHAIUSA-N 0 3 298.446 3.355 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001483644336 927560031 /nfs/dbraw/zinc/56/00/31/927560031.db2.gz PLRCKTVNLCMEBX-MRXNPFEDSA-N 0 3 278.440 3.258 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC001483647246 927561060 /nfs/dbraw/zinc/56/10/60/927561060.db2.gz JRRALRKSBMEVRU-OAHLLOKOSA-N 0 3 278.440 3.114 20 30 CGEDHN C=C[C@@H](C(=O)NC[C@@H]1CCN1CCC(=C)C)c1ccccc1 ZINC001483707849 927580684 /nfs/dbraw/zinc/58/06/84/927580684.db2.gz FXJZIOONPKNVKK-ZWKOTPCHSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001484169682 927686108 /nfs/dbraw/zinc/68/61/08/927686108.db2.gz ZHIQEELVTHABBV-FUHWJXTLSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C1CCC(C(=O)N(C)CCCN(C)C[C@H](F)CC)CC1 ZINC001484756950 927755001 /nfs/dbraw/zinc/75/50/01/927755001.db2.gz GVSZWHJPEBBNIY-MRXNPFEDSA-N 0 3 298.446 3.261 20 30 CGEDHN C=CCCN1Cc2ccc(CNC(=O)CCCC)cc2C1 ZINC001484873897 927763276 /nfs/dbraw/zinc/76/32/76/927763276.db2.gz DOCRFIYQTWVKTL-UHFFFAOYSA-N 0 3 286.419 3.385 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)C(C)(C)C1 ZINC001484935889 927773734 /nfs/dbraw/zinc/77/37/34/927773734.db2.gz BMISWAZJTVARIP-HOCLYGCPSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001485387158 927862203 /nfs/dbraw/zinc/86/22/03/927862203.db2.gz DKTHLRSPAYNZNU-HUUCEWRRSA-N 0 3 288.435 3.436 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)/C=C(\C)CC)C(C)C ZINC001486368155 928008742 /nfs/dbraw/zinc/00/87/42/928008742.db2.gz KUKDBODKZHULDA-RVDMUPIBSA-N 0 3 266.429 3.088 20 30 CGEDHN C[C@H](Cc1cccc(C#N)c1)N1C[C@@H](C)C[C@H]1CF ZINC001171210020 928201151 /nfs/dbraw/zinc/20/11/51/928201151.db2.gz OYGXURREXKFXIQ-ZENOOKHLSA-N 0 3 260.356 3.169 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1C[C@@H](C)C[C@H]1CF ZINC001171210019 928201506 /nfs/dbraw/zinc/20/15/06/928201506.db2.gz OYGXURREXKFXIQ-XEZPLFJOSA-N 0 3 260.356 3.169 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)CCCC ZINC001489321014 928330110 /nfs/dbraw/zinc/33/01/10/928330110.db2.gz XRUADVIOTOHADL-HOTGVXAUSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCCCCCN1CCC[C@@H](NC(=O)[C@@H](C)SC)C1 ZINC001490428391 928364837 /nfs/dbraw/zinc/36/48/37/928364837.db2.gz VUORPFAFPKDTTQ-HUUCEWRRSA-N 0 3 298.496 3.065 20 30 CGEDHN C=CC1(CC(=O)N(CCC)CCN(C)C)CCCCC1 ZINC001435211952 937254838 /nfs/dbraw/zinc/25/48/38/937254838.db2.gz QCXKBROYWPNFBE-UHFFFAOYSA-N 0 3 280.456 3.313 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](F)CC)C1 ZINC001491117483 928834604 /nfs/dbraw/zinc/83/46/04/928834604.db2.gz IDQNVUIMNHNPNP-GJZGRUSLSA-N 0 3 298.446 3.165 20 30 CGEDHN CC1(C)CO[C@@H](CN(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC001459815156 937501561 /nfs/dbraw/zinc/50/15/61/937501561.db2.gz BIEPZCZAJJEELZ-QGZVFWFLSA-N 0 3 284.403 3.338 20 30 CGEDHN C#C[C@@H](C)N(C)CCc1c(Cl)cccc1Cl ZINC001460026723 937512263 /nfs/dbraw/zinc/51/22/63/937512263.db2.gz BXBHLVPTUAGZQN-SNVBAGLBSA-N 0 3 256.176 3.489 20 30 CGEDHN C[C@H](CCC#N)N1CCO[C@H](c2ccccc2)CC1 ZINC001460950759 937555619 /nfs/dbraw/zinc/55/56/19/937555619.db2.gz QVBXCFFPNLYZMZ-ZBFHGGJFSA-N 0 3 258.365 3.142 20 30 CGEDHN Cc1nc(O[C@@H]2CCN(C(C)C)C2)c(C#N)c(C)c1Cl ZINC001227828156 932042821 /nfs/dbraw/zinc/04/28/21/932042821.db2.gz NDSLXOBXBWOGDO-GFCCVEGCSA-N 0 3 293.798 3.085 20 30 CGEDHN C=C1O[C@H](CC)C(=O)C1Oc1cccc([C@@H](C)N(C)C)c1 ZINC001229622997 932179835 /nfs/dbraw/zinc/17/98/35/932179835.db2.gz REYKDSPKVYXXAQ-IAQYHMDHSA-N 0 3 289.375 3.297 20 30 CGEDHN CCCCCCC[C@H](C)Oc1nncc2n[nH]cc21 ZINC001230895772 932637963 /nfs/dbraw/zinc/63/79/63/932637963.db2.gz KPFLGWOTETUOPI-NSHDSACASA-N 0 3 262.357 3.481 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001316601119 932745605 /nfs/dbraw/zinc/74/56/05/932745605.db2.gz OKNKXXDSQIAKHS-QWGSZXSUSA-N 0 3 292.467 3.478 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C=C)c1ccccc1 ZINC001316608572 932748819 /nfs/dbraw/zinc/74/88/19/932748819.db2.gz HFQQRMDHFARIQQ-ZWKOTPCHSA-N 0 3 298.430 3.065 20 30 CGEDHN C=CCC1(C(=O)N2CC[C@H](NC[C@H](F)CC)C2)CCCC1 ZINC001491775295 932790173 /nfs/dbraw/zinc/79/01/73/932790173.db2.gz VWNTUGIINQYELC-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C#C[C@H](NC(C)C)c1ccc(Br)cc1 ZINC001462283375 937630068 /nfs/dbraw/zinc/63/00/68/937630068.db2.gz ZWEFOYHWNYSWNG-LBPRGKRZSA-N 0 3 252.155 3.121 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CC(C)C ZINC001492136252 932809260 /nfs/dbraw/zinc/80/92/60/932809260.db2.gz RRGOUQJLRVUUHG-AWEZNQCLSA-N 0 3 286.847 3.146 20 30 CGEDHN C=C[C@@H](CC)CC(=O)NCCN(C)CC1=CCCCC1 ZINC001492381359 932815469 /nfs/dbraw/zinc/81/54/69/932815469.db2.gz MCMOTYWOIQGRFE-HNNXBMFYSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CC1(CC(=O)NC[C@@H](C)NC/C=C\Cl)CCCCC1 ZINC001317279509 932824752 /nfs/dbraw/zinc/82/47/52/932824752.db2.gz YHUUJENRKYTDAK-JKEYDSJLSA-N 0 3 298.858 3.360 20 30 CGEDHN C=CCN(Cc1cccc(OC(C)C)c1)[C@H](C)COC ZINC001307923241 933020261 /nfs/dbraw/zinc/02/02/61/933020261.db2.gz GDEJXYFDYVIFNG-OAHLLOKOSA-N 0 3 277.408 3.497 20 30 CGEDHN C=CCC[C@H]1CCCN1Cc1cc(OC)ns1 ZINC001308137043 933055368 /nfs/dbraw/zinc/05/53/68/933055368.db2.gz NJFLSOIZJSDQNF-NSHDSACASA-N 0 3 252.383 3.082 20 30 CGEDHN N#Cc1c(F)cccc1CNCCCc1ccsc1 ZINC001462668781 937658364 /nfs/dbraw/zinc/65/83/64/937658364.db2.gz QONTXFCNOCKWJJ-UHFFFAOYSA-N 0 3 274.364 3.481 20 30 CGEDHN C#Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001308519088 933124631 /nfs/dbraw/zinc/12/46/31/933124631.db2.gz NHMKSNRVXVBXRU-CYBMUJFWSA-N 0 3 280.327 3.427 20 30 CGEDHN C#CCCCCCCN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001308784426 933176216 /nfs/dbraw/zinc/17/62/16/933176216.db2.gz IKHFWUUUKRGENI-DLBZAZTESA-N 0 3 261.409 3.214 20 30 CGEDHN C=CCC(C)(C)C[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001308787110 933176736 /nfs/dbraw/zinc/17/67/36/933176736.db2.gz PDYZPBWXGHOJTB-UHFFFAOYSA-N 0 3 263.381 3.401 20 30 CGEDHN CCCCCCCN1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001316968628 933462899 /nfs/dbraw/zinc/46/28/99/933462899.db2.gz GNAPJQPFHRXDOY-OAHLLOKOSA-N 0 3 292.423 3.363 20 30 CGEDHN C=CCCC(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2)C1 ZINC001316939079 933500706 /nfs/dbraw/zinc/50/07/06/933500706.db2.gz AYFKEVUBUYJIHR-RDJZCZTQSA-N 0 3 286.419 3.294 20 30 CGEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001317041039 933518364 /nfs/dbraw/zinc/51/83/64/933518364.db2.gz SQGSBVGOUZHLAT-ZACQAIPSSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCN(CCNC(=O)c1ccc(Cl)c(C)c1)C1CC1 ZINC001317556098 933621029 /nfs/dbraw/zinc/62/10/29/933621029.db2.gz BFWKGOFCWNZRJG-UHFFFAOYSA-N 0 3 292.810 3.029 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001317981559 933671994 /nfs/dbraw/zinc/67/19/94/933671994.db2.gz NICCZMOMPVGGDX-KRWDZBQOSA-N 0 3 290.451 3.424 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001318266828 933703802 /nfs/dbraw/zinc/70/38/02/933703802.db2.gz VBJZDRWPKKWJRQ-HOTGVXAUSA-N 0 3 280.456 3.360 20 30 CGEDHN CCCCCCCNC(=O)[C@H]1CCCCN1CCC ZINC001470384356 937751967 /nfs/dbraw/zinc/75/19/67/937751967.db2.gz IFSOBVVKRNPXJF-OAHLLOKOSA-N 0 3 268.445 3.338 20 30 CGEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001322118814 934246674 /nfs/dbraw/zinc/24/66/74/934246674.db2.gz BBRYDBPJLZWRBK-AWEZNQCLSA-N 0 3 292.398 3.037 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001323194156 934373718 /nfs/dbraw/zinc/37/37/18/934373718.db2.gz PGDKBETXZTVFQW-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccsc1Cl ZINC001323318895 934385326 /nfs/dbraw/zinc/38/53/26/934385326.db2.gz OUXQFCNKXDMBRN-NSHDSACASA-N 0 3 298.839 3.172 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cc3cc(Cl)cnc3o2)C1 ZINC001324368212 934493438 /nfs/dbraw/zinc/49/34/38/934493438.db2.gz GLXBFWKDOHHYDP-ZDUSSCGKSA-N 0 3 292.766 3.258 20 30 CGEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001324669652 934545715 /nfs/dbraw/zinc/54/57/15/934545715.db2.gz QIGKQALSKOEDLT-CRAIPNDOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001324668065 934545977 /nfs/dbraw/zinc/54/59/77/934545977.db2.gz CTOKCWGQDUQSLK-NVXWUHKLSA-N 0 3 280.456 3.215 20 30 CGEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(Cl)cc2C#N)C1(C)C ZINC001473482782 937808397 /nfs/dbraw/zinc/80/83/97/937808397.db2.gz CMDYDOBVMHHXMM-COLVAYQJSA-N 0 3 292.810 3.361 20 30 CGEDHN C=C[C@H](COC)N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC001325619432 934920314 /nfs/dbraw/zinc/92/03/14/934920314.db2.gz GDNMIRDJFMMPMO-WCBMZHEXSA-N 0 3 289.206 3.427 20 30 CGEDHN C#CCN1CC[C@H](NC(=O)CCCCCC(C)C)C[C@H]1C ZINC001328279513 935127703 /nfs/dbraw/zinc/12/77/03/935127703.db2.gz OQZQZWDFIKNLFG-SJORKVTESA-N 0 3 292.467 3.195 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CC1CC(C)(C)C1 ZINC001328389242 935134089 /nfs/dbraw/zinc/13/40/89/935134089.db2.gz YTLCIDMISPORIN-LBPRGKRZSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN(C)[C@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001329627777 935235529 /nfs/dbraw/zinc/23/55/29/935235529.db2.gz JJQJXDQOSSGJGO-CQSZACIVSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCO[C@H]1CCN(Cc2cc3c(cccc3C)[nH]2)C1 ZINC001330252962 935281228 /nfs/dbraw/zinc/28/12/28/935281228.db2.gz MTSXFRUDEVAHGM-HNNXBMFYSA-N 0 3 270.376 3.253 20 30 CGEDHN C=CCC[C@H](NCc1cccnc1OCC)[C@@H]1CCCO1 ZINC001330830515 935327255 /nfs/dbraw/zinc/32/72/55/935327255.db2.gz PLYVRSLDKLBCMP-HOTGVXAUSA-N 0 3 290.407 3.084 20 30 CGEDHN C=CCO[C@@H]1CCN(Cc2cnc(OC)c3ccccc23)C1 ZINC001333021485 935505287 /nfs/dbraw/zinc/50/52/87/935505287.db2.gz GEQXOUGFMPYFHB-OAHLLOKOSA-N 0 3 298.386 3.020 20 30 CGEDHN C=CCCCN(CC)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC001333437097 935536175 /nfs/dbraw/zinc/53/61/75/935536175.db2.gz FWVGOJAWJDYXST-ZDUSSCGKSA-N 0 3 286.379 3.481 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](c2ccccc2)CC1=O ZINC001333724858 936059285 /nfs/dbraw/zinc/05/92/85/936059285.db2.gz JQOFIAMWIIVAKE-OKZBNKHCSA-N 0 3 296.414 3.143 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC001333986778 936078729 /nfs/dbraw/zinc/07/87/29/936078729.db2.gz FEKRALPPTXJFOT-KUHUBIRLSA-N 0 3 277.433 3.212 20 30 CGEDHN C=CCN(CCSc1ccc(OC)cc1)C1CC1 ZINC001474428025 937859027 /nfs/dbraw/zinc/85/90/27/937859027.db2.gz PXXZIEMJXMGECG-UHFFFAOYSA-N 0 3 263.406 3.438 20 30 CGEDHN N#Cc1ccc(CNCc2cc3ccccc3[nH]2)cc1F ZINC001474579874 937868397 /nfs/dbraw/zinc/86/83/97/937868397.db2.gz PZJHWMOBJHAIDQ-UHFFFAOYSA-N 0 3 279.318 3.468 20 30 CGEDHN C[C@@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCOCC1 ZINC001474748270 937878904 /nfs/dbraw/zinc/87/89/04/937878904.db2.gz OOSARCOFTJFIHK-ZDUSSCGKSA-N 0 3 292.810 3.181 20 30 CGEDHN CCCCCCCCCN(C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC001479378606 937920316 /nfs/dbraw/zinc/92/03/16/937920316.db2.gz ZETLYVXYRMROPW-HOTGVXAUSA-N 0 3 297.487 3.471 20 30 CGEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C=C(C)C ZINC001479510400 937921889 /nfs/dbraw/zinc/92/18/89/937921889.db2.gz FGWOKCGMYVBUTN-HIFRSBDPSA-N 0 3 298.858 3.312 20 30 CGEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCN1CC=C)c1ccccc1 ZINC001493159041 937948015 /nfs/dbraw/zinc/94/80/15/937948015.db2.gz AKFNAMMPZLYXIO-QZTJIDSGSA-N 0 3 298.430 3.113 20 30 CGEDHN C=CCN[C@H](CNC(=O)c1c(C)coc1C)c1ccccc1 ZINC001493888225 937951935 /nfs/dbraw/zinc/95/19/35/937951935.db2.gz AJDGIRFJYBJYRJ-MRXNPFEDSA-N 0 3 298.386 3.143 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001495349912 937958960 /nfs/dbraw/zinc/95/89/60/937958960.db2.gz ZXWNGLGLCFCZON-AWEZNQCLSA-N 0 3 296.842 3.068 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)/C=C\C(C)(C)C)C(C)C ZINC001496535600 937963014 /nfs/dbraw/zinc/96/30/14/937963014.db2.gz USYKDBLALRYRBI-WSROAFLRSA-N 0 3 286.847 3.072 20 30 CGEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001499036545 937972312 /nfs/dbraw/zinc/97/23/12/937972312.db2.gz FLRLYOHFJFBLGJ-OAHLLOKOSA-N 0 3 280.456 3.338 20 30 CGEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001501528802 937979732 /nfs/dbraw/zinc/97/97/32/937979732.db2.gz ZDQBDEIRRDGQMA-OAHLLOKOSA-N 0 3 298.858 3.147 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001502139017 937981376 /nfs/dbraw/zinc/98/13/76/937981376.db2.gz ZOKLAFJLUYIPKY-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN N#CC(C(=O)C[C@H]1CC=CCC1)c1nc2ccccc2[nH]1 ZINC001514973838 938004150 /nfs/dbraw/zinc/00/41/50/938004150.db2.gz FKRXAYCGPONCFG-QWHCGFSZSA-N 0 3 279.343 3.486 20 30 CGEDHN CCCC[C@@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001520449449 938025782 /nfs/dbraw/zinc/02/57/82/938025782.db2.gz PVLWHNVPDXFGRS-MWLCHTKSSA-N 0 3 266.291 3.362 20 30 CGEDHN COCC#CCN1CCCC[C@H]1c1cccc(C)c1C ZINC001559563163 938229762 /nfs/dbraw/zinc/22/97/62/938229762.db2.gz QCAYZZUNIAITLB-SFHVURJKSA-N 0 3 271.404 3.480 20 30 CGEDHN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001559690059 938232986 /nfs/dbraw/zinc/23/29/86/938232986.db2.gz DRGCZKKRLCULTR-KBPBESRZSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCN(Cc1cccc(OCCC)c1)[C@H](C)COC ZINC001559993140 938241363 /nfs/dbraw/zinc/24/13/63/938241363.db2.gz QIALSESWHFVZGH-OAHLLOKOSA-N 0 3 277.408 3.498 20 30 CGEDHN C[C@H]1CC[C@@](CO)(NCC2(CC#N)CC2)c2ccccc21 ZINC001560226474 938247896 /nfs/dbraw/zinc/24/78/96/938247896.db2.gz SEJYGECUGSQRBO-KSSFIOAISA-N 0 3 284.403 3.055 20 30 CGEDHN C=C(C)COCCNCc1cc(Cl)ccc1OCC ZINC001560392660 938256335 /nfs/dbraw/zinc/25/63/35/938256335.db2.gz UWYNXMUDXLOPMZ-UHFFFAOYSA-N 0 3 283.799 3.421 20 30 CGEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C ZINC001565831266 960840678 /nfs/dbraw/zinc/84/06/78/960840678.db2.gz DCDRZXQLLZYXPL-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@H](C)CCCCC)C1 ZINC001566878152 961036812 /nfs/dbraw/zinc/03/68/12/961036812.db2.gz MYCTXGLYSXPFST-SJORKVTESA-N 0 3 292.467 3.054 20 30 CGEDHN C=CCN[C@@H](CNC(=O)c1ccccc1C)c1ccccc1 ZINC001567656484 961382850 /nfs/dbraw/zinc/38/28/50/961382850.db2.gz PMUHRMBPNDMPCB-SFHVURJKSA-N 0 3 294.398 3.242 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001567685159 961394869 /nfs/dbraw/zinc/39/48/69/961394869.db2.gz APLAZTLWSHFMRB-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001567922719 961462407 /nfs/dbraw/zinc/46/24/07/961462407.db2.gz XZHAGEQVMSOODZ-LSDHHAIUSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H](CC)C(C)C)C1 ZINC001567925849 961463166 /nfs/dbraw/zinc/46/31/66/961463166.db2.gz UXVRDANYCHOWCS-HZPDHXFCSA-N 0 3 280.456 3.168 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C(C)=C1CCC1)C1CC1 ZINC001568020200 961493453 /nfs/dbraw/zinc/49/34/53/961493453.db2.gz RVGIKFKWEHXVIO-MRXNPFEDSA-N 0 3 296.842 3.114 20 30 CGEDHN C#CCCCCC(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001568478553 961591502 /nfs/dbraw/zinc/59/15/02/961591502.db2.gz FEMADVJDBKOBEQ-UHFFFAOYSA-N 0 3 290.451 3.071 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1c(C)cc(C)cc1C ZINC001568504115 961606199 /nfs/dbraw/zinc/60/61/99/961606199.db2.gz VBTGMXUFRJUXTI-UHFFFAOYSA-N 0 3 288.435 3.192 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)C=C1CCC1 ZINC001569353583 961736792 /nfs/dbraw/zinc/73/67/92/961736792.db2.gz GSLRVILTHNGXGR-INIZCTEOSA-N 0 3 278.440 3.258 20 30 CGEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC ZINC001569461948 961769351 /nfs/dbraw/zinc/76/93/51/961769351.db2.gz PBIFFFMHZROEAS-HRCADAONSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001570181027 961917944 /nfs/dbraw/zinc/91/79/44/961917944.db2.gz BHIGPEPOQVQZNT-LSDHHAIUSA-N 0 3 298.446 3.308 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@@H]1C ZINC001570449694 961969252 /nfs/dbraw/zinc/96/92/52/961969252.db2.gz TVRCDUWEQGVPCT-LSDHHAIUSA-N 0 3 292.467 3.051 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C)(C)CC(C)C ZINC001570471731 961975394 /nfs/dbraw/zinc/97/53/94/961975394.db2.gz BHOMPFZSMDWGOT-ZDUSSCGKSA-N 0 3 288.863 3.296 20 30 CGEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001570734075 962054819 /nfs/dbraw/zinc/05/48/19/962054819.db2.gz MGKHCTMWJSSTOC-STQMWFEESA-N 0 3 294.826 3.066 20 30 CGEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2CC)CCCCC1 ZINC001570801077 962083829 /nfs/dbraw/zinc/08/38/29/962083829.db2.gz HJNQLDRGMWILRK-ZIAGYGMSSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCNCc1ccc(CNC(=O)[C@@H](C)CCC)c(F)c1 ZINC001571702477 962211710 /nfs/dbraw/zinc/21/17/10/962211710.db2.gz WJYFMGNMMSAUGC-ZDUSSCGKSA-N 0 3 292.398 3.154 20 30 CGEDHN C=CCOc1cccc(NC(=O)c2cccc3c2CNC3)c1 ZINC001574948121 962330051 /nfs/dbraw/zinc/33/00/51/962330051.db2.gz UBJIFJDCRMIZTO-UHFFFAOYSA-N 0 3 294.354 3.107 20 30 CGEDHN CC#CC[C@H](N)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC001574962184 962332506 /nfs/dbraw/zinc/33/25/06/962332506.db2.gz GZCFETCIDKZJPM-JKSUJKDBSA-N 0 3 286.419 3.021 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC(C)(CC(C)C)CC1 ZINC001574903050 962336453 /nfs/dbraw/zinc/33/64/53/962336453.db2.gz KKMVKNOAIPCBEZ-OAHLLOKOSA-N 0 3 280.456 3.345 20 30 CGEDHN CC(C)(C)CN(CC(C)(C)C)C(=O)[C@H](N)CCCCC#N ZINC001575131749 962348461 /nfs/dbraw/zinc/34/84/61/962348461.db2.gz CHRKAXATEPUXJO-CQSZACIVSA-N 0 3 295.471 3.318 20 30 CGEDHN CC(C)[C@@H](C)N(C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC001575417884 962368991 /nfs/dbraw/zinc/36/89/91/962368991.db2.gz JBDSQMMMWQLNMU-GDBMZVCRSA-N 0 3 287.407 3.085 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H](C)C(F)(F)F ZINC001577430287 962548574 /nfs/dbraw/zinc/54/85/74/962548574.db2.gz ZHTBHHPBSBTYFZ-WDEREUQCSA-N 0 3 282.350 3.131 20 30 CGEDHN CN(C)Cc1cccc(NC(=O)c2ccccc2CC#N)c1 ZINC001587785602 963220827 /nfs/dbraw/zinc/22/08/27/963220827.db2.gz GSNDKKOAPSQQBE-UHFFFAOYSA-N 0 3 293.370 3.067 20 30 CGEDHN C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001588541971 963288297 /nfs/dbraw/zinc/28/82/97/963288297.db2.gz VFSVECHYSOMTJM-ZYHUDNBSSA-N 0 3 289.358 3.011 20 30 CGEDHN C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001588541971 963288304 /nfs/dbraw/zinc/28/83/04/963288304.db2.gz VFSVECHYSOMTJM-ZYHUDNBSSA-N 0 3 289.358 3.011 20 30 CGEDHN COc1ccc2c(c1)CCC[C@@H]2CNC[C@@H](C#N)CCC#N ZINC000573298077 334924907 /nfs/dbraw/zinc/92/49/07/334924907.db2.gz XWUOXKBMPLHGEH-GDBMZVCRSA-N 0 3 297.402 3.148 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2ccncc2)c1 ZINC000125435934 187184653 /nfs/dbraw/zinc/18/46/53/187184653.db2.gz XRRGMKFSGGIZCS-SFHVURJKSA-N 0 3 293.370 3.169 20 30 CGEDHN C=CC[C@H]1CC[C@H](N[C@@H](C)C(=O)Nc2cccnc2C)C1 ZINC000651827432 398294585 /nfs/dbraw/zinc/29/45/85/398294585.db2.gz DDYQBRSEJHGBQI-KKUMJFAQSA-N 0 3 287.407 3.051 20 30 CGEDHN C=CCOc1ccc(CN(CC)[C@H]2CCCOC2)cc1 ZINC000651947951 398310244 /nfs/dbraw/zinc/31/02/44/398310244.db2.gz YGQFVRLFCIUMFA-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN COC(=O)C[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000591012801 346894660 /nfs/dbraw/zinc/89/46/60/346894660.db2.gz CTXZXGPPAKPRDH-HNNXBMFYSA-N 0 3 292.423 3.268 20 30 CGEDHN CC[C@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000347062675 529535102 /nfs/dbraw/zinc/53/51/02/529535102.db2.gz GLKKQVGUMLBIIH-CABZTGNLSA-N 0 3 250.729 3.067 20 30 CGEDHN C[C@H](c1cccnc1)N(C)CCOc1ccc(C#N)cc1 ZINC000127861037 187337537 /nfs/dbraw/zinc/33/75/37/187337537.db2.gz QXEFNAGKKMDDAZ-CQSZACIVSA-N 0 3 281.359 3.025 20 30 CGEDHN N#Cc1cnccc1CN1CCC[C@H]1C1CCCC1 ZINC000592064834 346959368 /nfs/dbraw/zinc/95/93/68/346959368.db2.gz VPNFSDRQWKWDIY-INIZCTEOSA-N 0 3 255.365 3.108 20 30 CGEDHN COc1cncc(/C=C/CCN(CCC#N)CC2CC2)c1 ZINC000592072152 346960231 /nfs/dbraw/zinc/96/02/31/346960231.db2.gz XKRSUFPRFLQATG-GORDUTHDSA-N 0 3 285.391 3.119 20 30 CGEDHN CCC[C@H]1[C@H](C)CCCN1Cc1ccncc1C#N ZINC000592083397 346961434 /nfs/dbraw/zinc/96/14/34/346961434.db2.gz PKHAMTYRJQOBBK-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN N#Cc1cnccc1CN[C@@H](Cc1ccccc1)C1CC1 ZINC000592098270 346962115 /nfs/dbraw/zinc/96/21/15/346962115.db2.gz NLYKRMWMAGOZRC-SFHVURJKSA-N 0 3 277.371 3.064 20 30 CGEDHN CN(CCC(C)(C)C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000592144179 346967024 /nfs/dbraw/zinc/96/70/24/346967024.db2.gz AYDBUWJYEDEDLL-UHFFFAOYSA-N 0 3 293.455 3.039 20 30 CGEDHN N#CC[C@]1(O)CCN(Cc2ccc(C3CCCC3)cc2)C1 ZINC000592155132 346967846 /nfs/dbraw/zinc/96/78/46/346967846.db2.gz YJCDVEZFABZGDS-SFHVURJKSA-N 0 3 284.403 3.195 20 30 CGEDHN C[C@H](CNCc1ccc(C#N)cc1F)CC(F)F ZINC000592372601 346979481 /nfs/dbraw/zinc/97/94/81/346979481.db2.gz BKHMGRHRUMWALK-VIFPVBQESA-N 0 3 256.271 3.078 20 30 CGEDHN CC(C)C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccncc1 ZINC000592391147 346981765 /nfs/dbraw/zinc/98/17/65/346981765.db2.gz XEEKSWIZHOSZIN-NUEKZKHPSA-N 0 3 257.381 3.451 20 30 CGEDHN N#CCCC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000592517579 346994844 /nfs/dbraw/zinc/99/48/44/346994844.db2.gz UJYVAEZUMGTGMC-UHFFFAOYSA-N 0 3 269.392 3.086 20 30 CGEDHN CC(C#N)C(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592900640 347020256 /nfs/dbraw/zinc/02/02/56/347020256.db2.gz HLBLOUWBICRTRW-HIFRSBDPSA-N 0 3 266.344 3.066 20 30 CGEDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1CC1(C#N)CC1 ZINC000593048849 347031789 /nfs/dbraw/zinc/03/17/89/347031789.db2.gz KDBXFLXBYNYQBN-BBWFWOEESA-N 0 3 297.446 3.273 20 30 CGEDHN C=C(C)CCN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593052938 347032864 /nfs/dbraw/zinc/03/28/64/347032864.db2.gz XKITXYARJGYCQV-CHWSQXEVSA-N 0 3 253.386 3.147 20 30 CGEDHN C=C(C)CN1CCC(N[C@@H](C)c2nc(C)cs2)CC1 ZINC000623889790 349906557 /nfs/dbraw/zinc/90/65/57/349906557.db2.gz WCUNUAXIKZAUQB-ZDUSSCGKSA-N 0 3 279.453 3.143 20 30 CGEDHN C=CCN(CC=C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000005382743 344861489 /nfs/dbraw/zinc/86/14/89/344861489.db2.gz JASIHQMCHWWCGH-SFHVURJKSA-N 0 3 297.398 3.254 20 30 CGEDHN COc1cccc(CN(C)CCOc2cccc(C#N)c2)c1 ZINC000051325301 345089352 /nfs/dbraw/zinc/08/93/52/345089352.db2.gz NTAGINUDEPMHEX-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN C=CCNC(=O)CN[C@H](C)c1ccc([C@@H](C)CC)cc1 ZINC000623946143 349924706 /nfs/dbraw/zinc/92/47/06/349924706.db2.gz OKJFLDGEXYFXKL-UONOGXRCSA-N 0 3 274.408 3.153 20 30 CGEDHN COc1cc(CN(C)CCCC#N)ccc1SC ZINC000058528057 345196389 /nfs/dbraw/zinc/19/63/89/345196389.db2.gz UFFCJIASTOSUIN-UHFFFAOYSA-N 0 3 264.394 3.153 20 30 CGEDHN CCN(CC)[C@H](CNc1ccc(C#N)cn1)c1ccco1 ZINC000067383248 345320331 /nfs/dbraw/zinc/32/03/31/345320331.db2.gz YAFSNAHSVBJQFJ-CQSZACIVSA-N 0 3 284.363 3.041 20 30 CGEDHN C=CCOc1ccc(CN[C@@H](CO)CC(C)C)cc1Cl ZINC000066989090 345311460 /nfs/dbraw/zinc/31/14/60/345311460.db2.gz CDLKMTKPODKGSS-CQSZACIVSA-N 0 3 297.826 3.401 20 30 CGEDHN COc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CC2 ZINC000092836369 232181135 /nfs/dbraw/zinc/18/11/35/232181135.db2.gz RJMSVZHZQRAUDI-SFHVURJKSA-N 0 3 278.355 3.344 20 30 CGEDHN C=CCOc1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000079726395 345653187 /nfs/dbraw/zinc/65/31/87/345653187.db2.gz UPPBJPTXECUZAD-SECBINFHSA-N 0 3 273.254 3.388 20 30 CGEDHN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1cccc(C#N)c1 ZINC000085330981 345745744 /nfs/dbraw/zinc/74/57/44/345745744.db2.gz HUTDZNJEUJTNDX-ZSEKCTLFSA-N 0 3 298.411 3.146 20 30 CGEDHN N#Cc1ccc2nc(NCCN3CCCCC3)ccc2c1 ZINC000092890844 345861481 /nfs/dbraw/zinc/86/14/81/345861481.db2.gz RLFSPIBBFHXODE-UHFFFAOYSA-N 0 3 280.375 3.004 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)Cc1cccc(C#N)c1 ZINC000165424511 346183767 /nfs/dbraw/zinc/18/37/67/346183767.db2.gz PYDNXKSHJKNKPT-UHFFFAOYSA-N 0 3 275.355 3.370 20 30 CGEDHN N#Cc1ccc(OCCNCc2ccc(F)cc2F)cc1 ZINC000174558291 346243315 /nfs/dbraw/zinc/24/33/15/346243315.db2.gz PMWXZOYSDDUDBW-UHFFFAOYSA-N 0 3 288.297 3.005 20 30 CGEDHN C=CCSCCNCc1nc2ccccc2n1CC ZINC000222055923 346298513 /nfs/dbraw/zinc/29/85/13/346298513.db2.gz DJGIOHQAQMXPKA-UHFFFAOYSA-N 0 3 275.421 3.065 20 30 CGEDHN C=CC(C)(C)CCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000624036855 349951954 /nfs/dbraw/zinc/95/19/54/349951954.db2.gz AJWMSRVBGXSFML-CQSZACIVSA-N 0 3 288.370 3.225 20 30 CGEDHN C=C(C)COCCNCc1ccc(C)cc1Cl ZINC000232474678 346326178 /nfs/dbraw/zinc/32/61/78/346326178.db2.gz RBUBMPPLRIEUOK-UHFFFAOYSA-N 0 3 253.773 3.331 20 30 CGEDHN COc1ccc2c(c1)C1(CC1)CN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000293542524 346431571 /nfs/dbraw/zinc/43/15/71/346431571.db2.gz KJUWFSRHWROQKC-UKRRQHHQSA-N 0 3 282.387 3.235 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC000397744795 346584977 /nfs/dbraw/zinc/58/49/77/346584977.db2.gz NXZFBWOJJBACQA-AWEZNQCLSA-N 0 3 254.377 3.301 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000405153524 346602665 /nfs/dbraw/zinc/60/26/65/346602665.db2.gz QIHWLOZNYHZVDC-AEFFLSMTSA-N 0 3 297.446 3.180 20 30 CGEDHN CC(C)O[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000584778397 346713604 /nfs/dbraw/zinc/71/36/04/346713604.db2.gz YZUFPOUMEXZYLU-XJKSGUPXSA-N 0 3 258.365 3.119 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586788679 346735693 /nfs/dbraw/zinc/73/56/93/346735693.db2.gz CRNZKUCWNPKINN-LLVKDONJSA-N 0 3 293.326 3.256 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000586790786 346736154 /nfs/dbraw/zinc/73/61/54/346736154.db2.gz GPBOUALNICZHPX-SNVBAGLBSA-N 0 3 278.377 3.103 20 30 CGEDHN CC[C@@H](N[C@H](C)COCC1CC1)c1ccc(C#N)cc1 ZINC000593724182 347108748 /nfs/dbraw/zinc/10/87/48/347108748.db2.gz YOBTVYMKQFOGRB-CXAGYDPISA-N 0 3 272.392 3.414 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC12CCCC2 ZINC000593757714 347112075 /nfs/dbraw/zinc/11/20/75/347112075.db2.gz GSMHNKOTUQNWEO-INIZCTEOSA-N 0 3 282.387 3.304 20 30 CGEDHN N#Cc1csc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000589199949 346789969 /nfs/dbraw/zinc/78/99/69/346789969.db2.gz ODRQJSWMKSGJRT-KBPBESRZSA-N 0 3 290.432 3.258 20 30 CGEDHN COc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cc1C#N ZINC000119212741 370655880 /nfs/dbraw/zinc/65/58/80/370655880.db2.gz ASYAXSLWTUUHIT-HNNXBMFYSA-N 0 3 288.391 3.003 20 30 CGEDHN CN(C[C@H]1CCCN1C)c1cccc(C(F)F)c1C#N ZINC000594592942 347197785 /nfs/dbraw/zinc/19/77/85/347197785.db2.gz DQEMTGSHWVFEMF-LLVKDONJSA-N 0 3 279.334 3.026 20 30 CGEDHN CN(C(=O)[C@H](N)CCCCC#N)c1cccc2ccccc21 ZINC000594431029 347173826 /nfs/dbraw/zinc/17/38/26/347173826.db2.gz GASATCDLVCZLED-MRXNPFEDSA-N 0 3 295.386 3.214 20 30 CGEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1cccc2ccccc21 ZINC000594431028 347173922 /nfs/dbraw/zinc/17/39/22/347173922.db2.gz GASATCDLVCZLED-INIZCTEOSA-N 0 3 295.386 3.214 20 30 CGEDHN C[C@@H](COCC1CC1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594510890 347183084 /nfs/dbraw/zinc/18/30/84/347183084.db2.gz MLRQXVNPQWXRJW-AWEZNQCLSA-N 0 3 286.419 3.392 20 30 CGEDHN Cc1nn(-c2ccccc2F)cc1CNCC1(CC#N)CC1 ZINC000594522656 347188938 /nfs/dbraw/zinc/18/89/38/347188938.db2.gz NINYVJOWOSNLCW-UHFFFAOYSA-N 0 3 298.365 3.103 20 30 CGEDHN CC1(C)[C@@H](CNCc2ccc(C#N)cc2F)C1(F)F ZINC000594992081 347251222 /nfs/dbraw/zinc/25/12/22/347251222.db2.gz OTROONZPNUTMPP-GFCCVEGCSA-N 0 3 268.282 3.078 20 30 CGEDHN C[C@@H]1C[C@@H](C)CN(CCSc2cccnc2C#N)C1 ZINC000594902528 347224914 /nfs/dbraw/zinc/22/49/14/347224914.db2.gz QBKWHLUIJBLXFJ-CHWSQXEVSA-N 0 3 275.421 3.023 20 30 CGEDHN N#Cc1ccc(CCNCc2nc3c(s2)CCCC3)cc1 ZINC000594956082 347240290 /nfs/dbraw/zinc/24/02/90/347240290.db2.gz TYPXXIMXXZXWQL-UHFFFAOYSA-N 0 3 297.427 3.226 20 30 CGEDHN CC[C@@H](COCC1CC1)NCc1ccc(C#N)c(C)c1 ZINC000594957873 347240660 /nfs/dbraw/zinc/24/06/60/347240660.db2.gz VZPRAHNXRKMVCV-KRWDZBQOSA-N 0 3 272.392 3.162 20 30 CGEDHN C=CCCSCCNCc1ccc(F)c(F)c1 ZINC000594960057 347241333 /nfs/dbraw/zinc/24/13/33/347241333.db2.gz IONFCZMUCHOAOL-UHFFFAOYSA-N 0 3 257.349 3.364 20 30 CGEDHN C=CCCSCCNCc1scnc1C1CC1 ZINC000594960135 347241572 /nfs/dbraw/zinc/24/15/72/347241572.db2.gz KMJWVSMRNOWTAI-UHFFFAOYSA-N 0 3 268.451 3.419 20 30 CGEDHN CC(C)[C@H]1C[C@@H](NCC2(C#N)CCCCC2)CCO1 ZINC000594981039 347247856 /nfs/dbraw/zinc/24/78/56/347247856.db2.gz FVIWUXOXDJVYIA-LSDHHAIUSA-N 0 3 264.413 3.254 20 30 CGEDHN CO[C@@H]1CCC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594981125 347247909 /nfs/dbraw/zinc/24/79/09/347247909.db2.gz HHQZEEOQSMOUDO-UONOGXRCSA-N 0 3 250.386 3.008 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCn2nccc21 ZINC000595043554 347267147 /nfs/dbraw/zinc/26/71/47/347267147.db2.gz HWVIZCVFSMUAOY-DLBZAZTESA-N 0 3 292.386 3.257 20 30 CGEDHN CC[C@@H](N[C@H]1COC(C)(C)C1)c1ccc(C#N)cc1 ZINC000595051461 347270308 /nfs/dbraw/zinc/27/03/08/347270308.db2.gz UZCUHQGFFHNXLD-HUUCEWRRSA-N 0 3 258.365 3.166 20 30 CGEDHN CC1(C)[C@H](NCC2(C#N)CCCCC2)[C@H]2CCCO[C@@H]21 ZINC000595091266 347280953 /nfs/dbraw/zinc/28/09/53/347280953.db2.gz OYLLHNXVRXQRTF-KFWWJZLASA-N 0 3 276.424 3.254 20 30 CGEDHN N#Cc1cccc(OCCN2CCC[C@H](CCF)C2)c1 ZINC000595756679 347351284 /nfs/dbraw/zinc/35/12/84/347351284.db2.gz VSLKYFDRDKHGQA-CQSZACIVSA-N 0 3 276.355 3.009 20 30 CGEDHN N#Cc1ccc(CCN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000595466997 347307945 /nfs/dbraw/zinc/30/79/45/347307945.db2.gz VFDLCDMFEODDTC-AWEZNQCLSA-N 0 3 282.309 3.375 20 30 CGEDHN CCC(C)(C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595560201 347319791 /nfs/dbraw/zinc/31/97/91/347319791.db2.gz JQRPOHGCZNHKRB-INIZCTEOSA-N 0 3 271.408 3.057 20 30 CGEDHN CCN(CCOc1ccccc1OC)[C@@H]1CC[C@H](C#N)C1 ZINC000595884555 347369975 /nfs/dbraw/zinc/36/99/75/347369975.db2.gz HVABWGMSQQNBOV-LSDHHAIUSA-N 0 3 288.391 3.088 20 30 CGEDHN CC1(C)C[C@@]1(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000596061661 347378976 /nfs/dbraw/zinc/37/89/76/347378976.db2.gz HQBOUWZUWCIJTJ-QGZVFWFLSA-N 0 3 297.427 3.472 20 30 CGEDHN COc1cc(CN2CCC[C@@H](CCF)C2)ccc1C#N ZINC000597209850 347555004 /nfs/dbraw/zinc/55/50/04/347555004.db2.gz DMYQZBQAILJGBM-ZDUSSCGKSA-N 0 3 276.355 3.138 20 30 CGEDHN N#Cc1csc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000597224348 347556426 /nfs/dbraw/zinc/55/64/26/347556426.db2.gz GULABVBNWNKCOL-HOCLYGCPSA-N 0 3 290.432 3.401 20 30 CGEDHN CC(NC(=O)C(C#N)CCc1ccccc1)(C1CC1)C1CC1 ZINC000598382527 347651939 /nfs/dbraw/zinc/65/19/39/347651939.db2.gz ZQHADJLJNUIYNM-HNNXBMFYSA-N 0 3 296.414 3.454 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C#N)CCc1ccccc1 ZINC000598421858 347658019 /nfs/dbraw/zinc/65/80/19/347658019.db2.gz NEROEZVNSNXGJH-KURKYZTESA-N 0 3 294.398 3.469 20 30 CGEDHN CCC(C)(C)[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598859648 347695770 /nfs/dbraw/zinc/69/57/70/347695770.db2.gz IEFPUVYYBHLWFW-CZUORRHYSA-N 0 3 297.402 3.181 20 30 CGEDHN CC(C)(C)OC(=O)c1ccc(CNCCCC#N)s1 ZINC000598971771 347702299 /nfs/dbraw/zinc/70/22/99/347702299.db2.gz DXKZBTYKXARZOO-UHFFFAOYSA-N 0 3 280.393 3.097 20 30 CGEDHN CCC[C@H](CN[C@@H](C)c1ccc(C#N)cc1)OCC ZINC000599059671 347712945 /nfs/dbraw/zinc/71/29/45/347712945.db2.gz JKVSZCUEWDSRJJ-XJKSGUPXSA-N 0 3 260.381 3.414 20 30 CGEDHN Cc1ccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1F ZINC000598602952 347670473 /nfs/dbraw/zinc/67/04/73/347670473.db2.gz RIBFRTSSPPYBNB-OCCSQVGLSA-N 0 3 278.371 3.086 20 30 CGEDHN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598622216 347672522 /nfs/dbraw/zinc/67/25/22/347672522.db2.gz GHCVIGQECLPZAV-WFASDCNBSA-N 0 3 278.371 3.167 20 30 CGEDHN C=CCCCCN1CCc2c(CC#N)cccc2C1 ZINC000599679123 347764906 /nfs/dbraw/zinc/76/49/06/347764906.db2.gz WISVHOBULDHCMR-UHFFFAOYSA-N 0 3 254.377 3.467 20 30 CGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1Cl ZINC000599311444 347734212 /nfs/dbraw/zinc/73/42/12/347734212.db2.gz IEDLPNFKKQUJCC-VXGBXAGGSA-N 0 3 278.783 3.045 20 30 CGEDHN COCC1(C)CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599345480 347737842 /nfs/dbraw/zinc/73/78/42/347737842.db2.gz RLDYYWBOVZXZBN-UHFFFAOYSA-N 0 3 272.392 3.115 20 30 CGEDHN N#Cc1ccc(OCCN2CCCC(F)(F)CC2)cc1 ZINC000599552092 347753368 /nfs/dbraw/zinc/75/33/68/347753368.db2.gz VFFJPCRBRFZJLQ-UHFFFAOYSA-N 0 3 280.318 3.058 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000601286926 347888677 /nfs/dbraw/zinc/88/86/77/347888677.db2.gz CDSGPOIIGBPOOB-SWHYSGLUSA-N 0 3 298.308 3.021 20 30 CGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000601287556 347888717 /nfs/dbraw/zinc/88/87/17/347888717.db2.gz JYOGNNHNXKQTDK-XOPPTJLZSA-N 0 3 292.329 3.077 20 30 CGEDHN N#C[C@H]1CC[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000601287395 347888973 /nfs/dbraw/zinc/88/89/73/347888973.db2.gz IHLZLTFBRBGHJR-KSYCFECVSA-N 0 3 290.794 3.452 20 30 CGEDHN CC(C)C[C@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602016769 347933570 /nfs/dbraw/zinc/93/35/70/347933570.db2.gz ZVHPRNLIROHKKH-CABCVRRESA-N 0 3 290.382 3.381 20 30 CGEDHN N#CCN1CCN(CC2CCC3(CCCCC3)CC2)CC1 ZINC000602452858 347961009 /nfs/dbraw/zinc/96/10/09/347961009.db2.gz FEICLXKVGQKHNO-UHFFFAOYSA-N 0 3 289.467 3.268 20 30 CGEDHN Cc1ccccc1C[C@@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602458943 347961461 /nfs/dbraw/zinc/96/14/61/347961461.db2.gz RDNZQVHJTLARMG-IBGZPJMESA-N 0 3 291.398 3.469 20 30 CGEDHN CC(C)C[C@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602474095 347964562 /nfs/dbraw/zinc/96/45/62/347964562.db2.gz GPYYTLDUQKYIAC-MRXNPFEDSA-N 0 3 257.381 3.354 20 30 CGEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cccc(C#N)n1 ZINC000602477325 347965255 /nfs/dbraw/zinc/96/52/55/347965255.db2.gz JQBCCRAYLIWKEU-ZFWWWQNUSA-N 0 3 295.361 3.470 20 30 CGEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cccc(C#N)n1 ZINC000602478104 347966054 /nfs/dbraw/zinc/96/60/54/347966054.db2.gz WJHDLLJCZXDQCB-KDOFPFPSSA-N 0 3 277.371 3.331 20 30 CGEDHN C[C@H](CCC#N)CN[C@@H]1COc2ccc(Cl)cc21 ZINC000602572440 347985973 /nfs/dbraw/zinc/98/59/73/347985973.db2.gz ZMBAISDAYZQSOI-ZWNOBZJWSA-N 0 3 264.756 3.303 20 30 CGEDHN C[C@@H](CCC#N)CNCc1nc2cccc(Cl)c2n1C ZINC000602617489 347994744 /nfs/dbraw/zinc/99/47/44/347994744.db2.gz SWFZVVHIZQJXOS-NSHDSACASA-N 0 3 290.798 3.256 20 30 CGEDHN COc1c2ccccc2oc1CNC[C@H](C)CCC#N ZINC000602640770 347999348 /nfs/dbraw/zinc/99/93/48/347999348.db2.gz CUPLJDSTBHGACW-GFCCVEGCSA-N 0 3 272.348 3.471 20 30 CGEDHN CO[C@H](CNCc1ccc(C#N)c(Cl)c1)CC(C)C ZINC000602659537 348002801 /nfs/dbraw/zinc/00/28/01/348002801.db2.gz SECFJDLCZRSZMV-AWEZNQCLSA-N 0 3 280.799 3.362 20 30 CGEDHN C[C@H](CCC#N)CN[C@@H](C)c1nccn1-c1ccccc1 ZINC000602667823 348004950 /nfs/dbraw/zinc/00/49/50/348004950.db2.gz UJBBRNMSCHGSKH-CABCVRRESA-N 0 3 282.391 3.463 20 30 CGEDHN CC(C)[C@@H]1N(Cc2cccc(C#N)n2)CC12CCCC2 ZINC000602686901 348009138 /nfs/dbraw/zinc/00/91/38/348009138.db2.gz SBQUGRLWNBEMCL-INIZCTEOSA-N 0 3 269.392 3.354 20 30 CGEDHN C[C@@H](CCC#N)CNCc1cccc(OC2CC2)c1F ZINC000602708814 348014161 /nfs/dbraw/zinc/01/41/61/348014161.db2.gz MLZRNEHGULZCBI-LBPRGKRZSA-N 0 3 276.355 3.396 20 30 CGEDHN CCc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602712847 348015655 /nfs/dbraw/zinc/01/56/55/348015655.db2.gz ORLCAIKAJMRJHN-HNNXBMFYSA-N 0 3 286.419 3.438 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)NCc1cc(C)c(C(=O)OC)o1 ZINC000602744124 348022918 /nfs/dbraw/zinc/02/29/18/348022918.db2.gz OYYARTLQSXMOFO-CMPLNLGQSA-N 0 3 265.353 3.065 20 30 CGEDHN N#CCC1(CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000602771876 348026320 /nfs/dbraw/zinc/02/63/20/348026320.db2.gz HTDBIUPGAFWVCD-UHFFFAOYSA-N 0 3 295.386 3.095 20 30 CGEDHN CC[C@H](C)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000602535675 347977584 /nfs/dbraw/zinc/97/75/84/347977584.db2.gz WVNSQFKVPPEVTK-WFASDCNBSA-N 0 3 273.380 3.160 20 30 CGEDHN CC(C)[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000602547544 347980024 /nfs/dbraw/zinc/98/00/24/347980024.db2.gz QHSNQNMEMBYEKJ-ULQDDVLXSA-N 0 3 299.418 3.008 20 30 CGEDHN CCc1ccc([C@@H](COC)NC[C@H](C)CCC#N)o1 ZINC000602548672 347980216 /nfs/dbraw/zinc/98/02/16/347980216.db2.gz UWCYJHKWYCYBDF-TZMCWYRMSA-N 0 3 264.369 3.059 20 30 CGEDHN C[C@@H](CCC#N)CNC1(c2nccs2)CCCC1 ZINC000602556193 347981378 /nfs/dbraw/zinc/98/13/78/347981378.db2.gz JOSPHELZUCJLAW-LBPRGKRZSA-N 0 3 263.410 3.442 20 30 CGEDHN N#Cc1cccc(CNC[C@H]2SCCc3ccccc32)n1 ZINC000602563627 347983017 /nfs/dbraw/zinc/98/30/17/347983017.db2.gz NHYCPNKRZMUMJQ-QGZVFWFLSA-N 0 3 295.411 3.073 20 30 CGEDHN CC[C@@H](CNCc1cccc(C#N)n1)Oc1ccccc1C ZINC000602564267 347983131 /nfs/dbraw/zinc/98/31/31/347983131.db2.gz SCCMYEDMVHSTET-KRWDZBQOSA-N 0 3 295.386 3.209 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(-n2cccn2)c1 ZINC000602808085 348032663 /nfs/dbraw/zinc/03/26/63/348032663.db2.gz WVWKHUQBVZEBPD-AWEZNQCLSA-N 0 3 280.375 3.217 20 30 CGEDHN Cc1nc2ccccc2n1CCCCCN[C@@H](C)CC#N ZINC000602870531 348039333 /nfs/dbraw/zinc/03/93/33/348039333.db2.gz MRXKDMHNKRVNCF-AWEZNQCLSA-N 0 3 284.407 3.407 20 30 CGEDHN CC(C)(NC[C@@H]1CC(C)(C)CO1)c1cccc(C#N)c1 ZINC000602878650 348039979 /nfs/dbraw/zinc/03/99/79/348039979.db2.gz DCBKTWQZPJKYCP-HNNXBMFYSA-N 0 3 272.392 3.198 20 30 CGEDHN CN(C[C@@H]1CCc2ccccc21)CC1(CC#N)CC1 ZINC000602904103 348041750 /nfs/dbraw/zinc/04/17/50/348041750.db2.gz IXALAPZXRMKQFX-HNNXBMFYSA-N 0 3 254.377 3.342 20 30 CGEDHN N#CCSCCCN1CCC(c2ccc(F)cn2)CC1 ZINC000602906565 348042503 /nfs/dbraw/zinc/04/25/03/348042503.db2.gz XBCKKPVKPZNJQP-UHFFFAOYSA-N 0 3 293.411 3.047 20 30 CGEDHN COc1ccc([C@@H]2CCN(CC3(CC#N)CC3)C2)cc1F ZINC000602915380 348043450 /nfs/dbraw/zinc/04/34/50/348043450.db2.gz CHTHMSZCNQNUDN-CQSZACIVSA-N 0 3 288.366 3.317 20 30 CGEDHN N#CC(C(=O)c1cnc2ccsc2c1)c1ccccn1 ZINC000608552873 348316942 /nfs/dbraw/zinc/31/69/42/348316942.db2.gz JKVHRUGJRAZGOT-LLVKDONJSA-N 0 3 279.324 3.181 20 30 CGEDHN Cc1ccc2c(CCNC[C@H](C#N)CCC#N)c[nH]c2c1 ZINC000609574544 348347556 /nfs/dbraw/zinc/34/75/56/348347556.db2.gz QUQCTLVAKYEPPO-AWEZNQCLSA-N 0 3 280.375 3.052 20 30 CGEDHN N#CCN1CCC(NCc2ccc(-c3ccccc3)o2)CC1 ZINC000609335148 348342634 /nfs/dbraw/zinc/34/26/34/348342634.db2.gz WNTHDFUPLSPAAV-UHFFFAOYSA-N 0 3 295.386 3.024 20 30 CGEDHN CC(C)(CNCc1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000610947121 348411288 /nfs/dbraw/zinc/41/12/88/348411288.db2.gz SWSJZSNVPZEKPF-INIZCTEOSA-N 0 3 290.382 3.382 20 30 CGEDHN N#CCN1CCC(NCc2cc(Cl)ccc2Cl)CC1 ZINC000611080874 348421847 /nfs/dbraw/zinc/42/18/47/348421847.db2.gz ZEXDZGABYPIDCF-UHFFFAOYSA-N 0 3 298.217 3.071 20 30 CGEDHN C[C@H](NCCOc1ccccc1C#N)c1cccc(C#N)c1 ZINC000611388336 348443603 /nfs/dbraw/zinc/44/36/03/348443603.db2.gz NMBSECXAKRDRGN-AWEZNQCLSA-N 0 3 291.354 3.160 20 30 CGEDHN COc1ccc([C@H](NCc2ccnc(C#N)c2)C2CC2)cc1 ZINC000611433410 348451602 /nfs/dbraw/zinc/45/16/02/348451602.db2.gz XTXJQHQDWJEENO-GOSISDBHSA-N 0 3 293.370 3.203 20 30 CGEDHN CC(C)CCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551287 348460770 /nfs/dbraw/zinc/46/07/70/348460770.db2.gz PBBSONSZOQIQJB-KRWDZBQOSA-N 0 3 289.398 3.054 20 30 CGEDHN CN1CCC[C@@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613422825 348599938 /nfs/dbraw/zinc/59/99/38/348599938.db2.gz CUNBDCBAGMLQDP-ZDUSSCGKSA-N 0 3 286.423 3.004 20 30 CGEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCCO1 ZINC000614160734 348653582 /nfs/dbraw/zinc/65/35/82/348653582.db2.gz CITUXUDDRAQZAC-MRXNPFEDSA-N 0 3 272.392 3.099 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000615120059 348716078 /nfs/dbraw/zinc/71/60/78/348716078.db2.gz OIAWJKJPYZYJPO-RCCFBDPRSA-N 0 3 281.403 3.431 20 30 CGEDHN CCO[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000614461761 348678068 /nfs/dbraw/zinc/67/80/68/348678068.db2.gz VVPKOPLIVGACTK-CZUORRHYSA-N 0 3 258.365 3.120 20 30 CGEDHN Cc1cnccc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358556453 233154246 /nfs/dbraw/zinc/15/42/46/233154246.db2.gz BFRPASUKTMJSDB-ZDUSSCGKSA-N 0 3 283.350 3.294 20 30 CGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(C#N)cc1F ZINC000358560245 233154982 /nfs/dbraw/zinc/15/49/82/233154982.db2.gz QNVVQTBGLOPNGS-SQWYCQTGSA-N 0 3 288.366 3.161 20 30 CGEDHN C[C@]12C[C@H]1CCC[C@H]2NCc1ccc(C#N)cc1F ZINC000619723902 349278893 /nfs/dbraw/zinc/27/88/93/349278893.db2.gz OYMAMQOACHXDSK-BMFZPTHFSA-N 0 3 258.340 3.366 20 30 CGEDHN C=CCC[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccco1 ZINC000624222716 350006847 /nfs/dbraw/zinc/00/68/47/350006847.db2.gz CYMNZGYHZOOBDX-IJEWVQPXSA-N 0 3 261.365 3.444 20 30 CGEDHN C=CCC[C@@H](NCC(=O)NCC(C)(C)C)c1ccccc1 ZINC000625301487 350156379 /nfs/dbraw/zinc/15/63/79/350156379.db2.gz WJAXGLXNDYVUTR-MRXNPFEDSA-N 0 3 288.435 3.446 20 30 CGEDHN C=CCC1(NCc2snnc2C)CCCCC1 ZINC000625934114 350232763 /nfs/dbraw/zinc/23/27/63/350232763.db2.gz AWNFHCJHHYDPDB-UHFFFAOYSA-N 0 3 251.399 3.215 20 30 CGEDHN C=CCC[C@@H](CO)NCc1ccsc1C(F)(F)F ZINC000628302347 350489046 /nfs/dbraw/zinc/48/90/46/350489046.db2.gz ZLGPDCBMXSBTAG-JTQLQIEISA-N 0 3 279.327 3.184 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000628405520 350528627 /nfs/dbraw/zinc/52/86/27/350528627.db2.gz NXLZPDKXRQRXLY-CYBMUJFWSA-N 0 3 271.364 3.376 20 30 CGEDHN C=CC[C@H]1CCN(Cc2cc(F)c(OC)cc2OC)C1 ZINC000628406247 350529876 /nfs/dbraw/zinc/52/98/76/350529876.db2.gz FPKRDCIDGULTMN-LBPRGKRZSA-N 0 3 279.355 3.241 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2c(OC)cc(OC)cc2OC)C1 ZINC000628405645 350530117 /nfs/dbraw/zinc/53/01/17/350530117.db2.gz QJHIQMUJUCVTSN-CYBMUJFWSA-N 0 3 291.391 3.110 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628544293 350573095 /nfs/dbraw/zinc/57/30/95/350573095.db2.gz AAVUYEDJUBWNCW-GDBMZVCRSA-N 0 3 278.440 3.112 20 30 CGEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000631544961 351063282 /nfs/dbraw/zinc/06/32/82/351063282.db2.gz WVPQRNKHQKFJQS-KRWDZBQOSA-N 0 3 298.430 3.076 20 30 CGEDHN C=C(C)CNCc1cc(OC)c(OC)cc1SC ZINC000122571008 187039129 /nfs/dbraw/zinc/03/91/29/187039129.db2.gz WAUUTALKEAYFIU-UHFFFAOYSA-N 0 3 267.394 3.091 20 30 CGEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1cc(C#N)ccc1F ZINC000124186138 187125722 /nfs/dbraw/zinc/12/57/22/187125722.db2.gz UFYKRHPTIUGULG-CZUORRHYSA-N 0 3 290.382 3.213 20 30 CGEDHN CCc1ccc(CNCc2cnc3ccc(C#N)cn23)s1 ZINC000123301201 187083870 /nfs/dbraw/zinc/08/38/70/187083870.db2.gz RRBHYXFXKVLVSO-UHFFFAOYSA-N 0 3 296.399 3.120 20 30 CGEDHN COc1ccc([C@H](C)NCCOc2ccccc2C#N)cc1 ZINC000271617779 191242896 /nfs/dbraw/zinc/24/28/96/191242896.db2.gz CMCSETNZUWFASW-AWEZNQCLSA-N 0 3 296.370 3.296 20 30 CGEDHN COc1cccc([C@@H](C)NCCOc2ccccc2C#N)c1 ZINC000271620803 191244013 /nfs/dbraw/zinc/24/40/13/191244013.db2.gz DBLROCVAIZCXIU-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292141321 198179167 /nfs/dbraw/zinc/17/91/67/198179167.db2.gz MLKDVRFEAUZISU-KSSFIOAISA-N 0 3 284.403 3.368 20 30 CGEDHN C#CCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000271632565 191249844 /nfs/dbraw/zinc/24/98/44/191249844.db2.gz DPXGOMNCLXJYBE-LBPRGKRZSA-N 0 3 259.246 3.432 20 30 CGEDHN CC(C)(NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000292268626 198224724 /nfs/dbraw/zinc/22/47/24/198224724.db2.gz ZGFXKVKQSPKWLV-KRWDZBQOSA-N 0 3 298.361 3.256 20 30 CGEDHN C[C@H](NCc1cccc(N(C)C)c1)c1cccc(C#N)c1 ZINC000271757648 191308893 /nfs/dbraw/zinc/30/88/93/191308893.db2.gz ADKLRIIWHXBBAN-AWEZNQCLSA-N 0 3 279.387 3.475 20 30 CGEDHN C=CCCCN(C)Cc1cncc(Br)c1 ZINC000172325064 188795696 /nfs/dbraw/zinc/79/56/96/188795696.db2.gz TVRYXBABNSMGBQ-UHFFFAOYSA-N 0 3 269.186 3.242 20 30 CGEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccccc2)ccc1F ZINC000179596881 283093528 /nfs/dbraw/zinc/09/35/28/283093528.db2.gz PVSUQJOKRKREED-MSOLQXFVSA-N 0 3 296.345 3.317 20 30 CGEDHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)c(F)c1 ZINC000414333589 235390196 /nfs/dbraw/zinc/39/01/96/235390196.db2.gz ARABRGDFLFSDMG-WDBKCZKBSA-N 0 3 270.307 3.497 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)c(F)c1 ZINC000414333586 235390793 /nfs/dbraw/zinc/39/07/93/235390793.db2.gz ARABRGDFLFSDMG-PSOPSSQASA-N 0 3 270.307 3.497 20 30 CGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCOCC(F)F ZINC000360882920 283192456 /nfs/dbraw/zinc/19/24/56/283192456.db2.gz HMNAONHCDDXSHB-OAHLLOKOSA-N 0 3 294.345 3.197 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000349355061 283194183 /nfs/dbraw/zinc/19/41/83/283194183.db2.gz NNYOEIHHUMFPFC-UNEWFSDZSA-N 0 3 265.360 3.218 20 30 CGEDHN N#Cc1cccc(N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC000266107729 283210932 /nfs/dbraw/zinc/21/09/32/283210932.db2.gz RUXDRYNEAIAYML-QGZVFWFLSA-N 0 3 292.386 3.202 20 30 CGEDHN N#Cc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000106478145 138354829 /nfs/dbraw/zinc/35/48/29/138354829.db2.gz UUVRXSCCQLJPBI-QGZVFWFLSA-N 0 3 266.319 3.474 20 30 CGEDHN CO[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000425413551 236245827 /nfs/dbraw/zinc/24/58/27/236245827.db2.gz BREARUCMSOBYQS-GOSISDBHSA-N 0 3 282.387 3.072 20 30 CGEDHN C[C@@](CO)(NCc1cccc(F)c1C#N)C1CCCCC1 ZINC000428259141 236386740 /nfs/dbraw/zinc/38/67/40/236386740.db2.gz YSYJCIAYHOJLRH-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN CC(C)[C@H](C)N(C)Cc1cn2ccccc2c1C#N ZINC000341805950 216112569 /nfs/dbraw/zinc/11/25/69/216112569.db2.gz FQTAHGVPBYNPOW-ZDUSSCGKSA-N 0 3 255.365 3.287 20 30 CGEDHN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000342004183 216183556 /nfs/dbraw/zinc/18/35/56/216183556.db2.gz YPPVAQDVMQBUML-UHFFFAOYSA-N 0 3 296.374 3.373 20 30 CGEDHN CCCCCN(CCCOC)Cc1ccc(C#N)o1 ZINC000180876650 189281289 /nfs/dbraw/zinc/28/12/89/189281289.db2.gz MPRBRDPNFMEAOY-UHFFFAOYSA-N 0 3 264.369 3.180 20 30 CGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C)c1cccc(C#N)c1 ZINC000181768032 189306147 /nfs/dbraw/zinc/30/61/47/189306147.db2.gz GELNEJOLPJUYJK-WFASDCNBSA-N 0 3 260.381 3.006 20 30 CGEDHN COc1ccccc1CCN(C)Cc1ccc(C#N)s1 ZINC000119466000 370678279 /nfs/dbraw/zinc/67/82/79/370678279.db2.gz SPXHMNXEAUFYID-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN C=C(C)CNCc1ccccc1OCc1ccccn1 ZINC000119635402 370692627 /nfs/dbraw/zinc/69/26/27/370692627.db2.gz QXRYUYMUSQQJQW-UHFFFAOYSA-N 0 3 268.360 3.326 20 30 CGEDHN C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000119642080 370695138 /nfs/dbraw/zinc/69/51/38/370695138.db2.gz AEMXNNLRKJRIDV-DGCLKSJQSA-N 0 3 276.355 3.306 20 30 CGEDHN CC(C)CO[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000119566466 370687588 /nfs/dbraw/zinc/68/75/88/370687588.db2.gz NPJFYQOXBYKZOY-YOEHRIQHSA-N 0 3 272.392 3.366 20 30 CGEDHN CC[C@H](C)[C@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000183057416 189344636 /nfs/dbraw/zinc/34/46/36/189344636.db2.gz XUDZYCVEDGFSHD-RYUDHWBXSA-N 0 3 284.363 3.132 20 30 CGEDHN CC(=O)c1ccc(C#N)cc1NCCN1CCCC[C@@H]1C ZINC000302088792 201337547 /nfs/dbraw/zinc/33/75/47/201337547.db2.gz FZHLGUVROYWHMD-ZDUSSCGKSA-N 0 3 285.391 3.047 20 30 CGEDHN CC(C)N(Cc1cn2ccccc2c1C#N)C1CCOCC1 ZINC000119658235 370696567 /nfs/dbraw/zinc/69/65/67/370696567.db2.gz MVTDSNQRXOHFOB-UHFFFAOYSA-N 0 3 297.402 3.200 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CSc3ccccc32)o1 ZINC000449362293 239350152 /nfs/dbraw/zinc/35/01/52/239350152.db2.gz JWXAHRCGXDSCPW-LLVKDONJSA-N 0 3 270.357 3.130 20 30 CGEDHN CN(C)c1cccc(CN(C)CCC(C)(C)C#N)c1 ZINC000119750485 370705913 /nfs/dbraw/zinc/70/59/13/370705913.db2.gz INQXDCVSBJFNMA-UHFFFAOYSA-N 0 3 259.397 3.124 20 30 CGEDHN CC(C)(C#N)CCCN(Cc1ccncc1)C1CC1 ZINC000119775025 370708568 /nfs/dbraw/zinc/70/85/68/370708568.db2.gz CDTKKJFCIMXWFR-UHFFFAOYSA-N 0 3 257.381 3.376 20 30 CGEDHN Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)cc(C)n1 ZINC000335616095 212328962 /nfs/dbraw/zinc/32/89/62/212328962.db2.gz YGHZGTGYHHPEMF-GOSISDBHSA-N 0 3 277.371 3.347 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000335578293 212288981 /nfs/dbraw/zinc/28/89/81/212288981.db2.gz FVFAOSMVUANKMG-MRXNPFEDSA-N 0 3 272.417 3.277 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OC(F)F)cc1 ZINC000121096787 370829884 /nfs/dbraw/zinc/82/98/84/370829884.db2.gz YRGVABAPPFMCRE-ZDUSSCGKSA-N 0 3 285.334 3.047 20 30 CGEDHN C=C[C@H](C)NCc1ccc(C)c(Br)c1 ZINC000121689240 370886337 /nfs/dbraw/zinc/88/63/37/370886337.db2.gz GJUFHOUCRWPFFB-JTQLQIEISA-N 0 3 254.171 3.422 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000123206655 370909772 /nfs/dbraw/zinc/90/97/72/370909772.db2.gz VECCCFNGHOCXCR-SNVBAGLBSA-N 0 3 271.307 3.351 20 30 CGEDHN C=C[C@@H](CC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000127054663 370948550 /nfs/dbraw/zinc/94/85/50/370948550.db2.gz SNCUZKYUUGOAHU-FUHWJXTLSA-N 0 3 298.430 3.043 20 30 CGEDHN CC[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000034674500 368977621 /nfs/dbraw/zinc/97/76/21/368977621.db2.gz PCAHKZKLZXHAIW-HNNXBMFYSA-N 0 3 258.365 3.202 20 30 CGEDHN C=CCOc1ccccc1CNCCc1ccco1 ZINC000034992640 368986715 /nfs/dbraw/zinc/98/67/15/368986715.db2.gz WTMXHCYVIOGVQJ-UHFFFAOYSA-N 0 3 257.333 3.177 20 30 CGEDHN C[C@H](NC[C@@H](c1ccco1)N(C)C)c1cccc(C#N)c1 ZINC000037218171 369077527 /nfs/dbraw/zinc/07/75/27/369077527.db2.gz NGSBTXXILRFOEZ-BBRMVZONSA-N 0 3 283.375 3.105 20 30 CGEDHN Cc1csc(C(C#N)C(=O)c2ccccc2C)n1 ZINC000041520106 369189927 /nfs/dbraw/zinc/18/99/27/369189927.db2.gz OVHWQMJOCLPVFF-LBPRGKRZSA-N 0 3 256.330 3.250 20 30 CGEDHN CCC(CC)N(CCOC)Cc1ccc(C#N)cc1F ZINC000042616408 369227127 /nfs/dbraw/zinc/22/71/27/369227127.db2.gz JSGDGHQJKCNWMF-UHFFFAOYSA-N 0 3 278.371 3.334 20 30 CGEDHN CC(C#N)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000044814656 369270602 /nfs/dbraw/zinc/27/06/02/369270602.db2.gz MSZGBZIXYVEILW-ZDUSSCGKSA-N 0 3 264.328 3.052 20 30 CGEDHN CCCCCN(CC(=O)Nc1sccc1C#N)C(C)C ZINC000046018021 369289106 /nfs/dbraw/zinc/28/91/06/369289106.db2.gz LDKOZHRSCMYRMO-UHFFFAOYSA-N 0 3 293.436 3.459 20 30 CGEDHN N#CC(C(=O)c1ccc2ccccc2n1)c1ccccn1 ZINC000046439253 369294130 /nfs/dbraw/zinc/29/41/30/369294130.db2.gz FBPUXNMHWIZGTA-CYBMUJFWSA-N 0 3 273.295 3.120 20 30 CGEDHN C=CCC[C@@H](O)CN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000129275312 370980190 /nfs/dbraw/zinc/98/01/90/370980190.db2.gz NTVSLUUPASHYRD-IAGOWNOFSA-N 0 3 291.460 3.412 20 30 CGEDHN C=CCCN(C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000276492784 193355139 /nfs/dbraw/zinc/35/51/39/193355139.db2.gz VAENERUICPOCRC-UHFFFAOYSA-N 0 3 278.421 3.468 20 30 CGEDHN CN(CCCCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000276476243 193348287 /nfs/dbraw/zinc/34/82/87/193348287.db2.gz ZMUIRDSZOZGPCN-UHFFFAOYSA-N 0 3 294.398 3.430 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000076736158 369941031 /nfs/dbraw/zinc/94/10/31/369941031.db2.gz PXBLNJXXAGRJSH-KRWDZBQOSA-N 0 3 286.419 3.078 20 30 CGEDHN C=CCCOCCN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000090883531 370070214 /nfs/dbraw/zinc/07/02/14/370070214.db2.gz WGHNDZHANKSYDZ-AWEZNQCLSA-N 0 3 259.393 3.419 20 30 CGEDHN COc1ccc(CN(C)CC(C)(C)CCC#N)cc1O ZINC000092405361 370096482 /nfs/dbraw/zinc/09/64/82/370096482.db2.gz VEBGXMOCNQUEKZ-UHFFFAOYSA-N 0 3 276.380 3.163 20 30 CGEDHN C=CC1CCN(Cc2c(C)nn(CCC)c2C)CC1 ZINC000093359157 370118243 /nfs/dbraw/zinc/11/82/43/370118243.db2.gz DOWTVJXYJDOSFR-UHFFFAOYSA-N 0 3 261.413 3.308 20 30 CGEDHN C=C(CNCc1ccccc1OC)c1ccccc1 ZINC000110057692 370368759 /nfs/dbraw/zinc/36/87/59/370368759.db2.gz CCWXSCMRWGKVMO-UHFFFAOYSA-N 0 3 253.345 3.498 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(SCC)cc1 ZINC000103499904 370330644 /nfs/dbraw/zinc/33/06/44/370330644.db2.gz FVSBUMUCIDGXAN-QWHCGFSZSA-N 0 3 292.448 3.140 20 30 CGEDHN C[C@@H](N[C@H]1CSC1(C)C)c1ccc(C#N)c(F)c1 ZINC000283468825 296165761 /nfs/dbraw/zinc/16/57/61/296165761.db2.gz WCXHSBJPBQTONR-RNCFNFMXSA-N 0 3 264.369 3.242 20 30 CGEDHN CC[C@H](CC#N)N[C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000133198559 371235851 /nfs/dbraw/zinc/23/58/51/371235851.db2.gz ZIGNTTLUKBZUFQ-CABCVRRESA-N 0 3 290.407 3.307 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)[C@H](CO)C(C)(C)C ZINC000134435276 371336337 /nfs/dbraw/zinc/33/63/37/371336337.db2.gz YDIUPXGOOQYKQM-OAHLLOKOSA-N 0 3 279.811 3.030 20 30 CGEDHN CN(CCCC(C)(C)C#N)[C@H]1CCCc2c1cnn2C ZINC000135560962 371434905 /nfs/dbraw/zinc/43/49/05/371434905.db2.gz ZSCFTNRRSQONIJ-AWEZNQCLSA-N 0 3 274.412 3.059 20 30 CGEDHN CN(C)Cc1ccc(CNCc2ccc(C#N)cc2)cc1F ZINC000136079902 371460247 /nfs/dbraw/zinc/46/02/47/371460247.db2.gz YAMBQFMQZOPXAG-UHFFFAOYSA-N 0 3 297.377 3.049 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000150876501 371544302 /nfs/dbraw/zinc/54/43/02/371544302.db2.gz BYMJGNGHLQSENH-ZIAGYGMSSA-N 0 3 293.432 3.112 20 30 CGEDHN C=CC[C@H](CC)N[C@@H](C)c1cc(OC)ncc1F ZINC000287206352 371620585 /nfs/dbraw/zinc/62/05/85/371620585.db2.gz WQLNIYYHAPOATD-QWRGUYRKSA-N 0 3 252.333 3.235 20 30 CGEDHN CC(C)(CNc1nc(Cl)c(C#N)s1)CN1CCCC1 ZINC000287869277 371713170 /nfs/dbraw/zinc/71/31/70/371713170.db2.gz TUVWYPZGWFQXQO-UHFFFAOYSA-N 0 3 298.843 3.202 20 30 CGEDHN C=CCOc1cccc(CN[C@H](C)[C@@H](O)c2ccccc2)c1 ZINC000288656622 371742969 /nfs/dbraw/zinc/74/29/69/371742969.db2.gz VMMYAOYENYDZAF-DNVCBOLYSA-N 0 3 297.398 3.463 20 30 CGEDHN CCN(Cc1cc(C#N)ccc1F)[C@@H]1CCOC(C)(C)C1 ZINC000289813743 371830225 /nfs/dbraw/zinc/83/02/25/371830225.db2.gz NQIZDWYRKFNEDV-OAHLLOKOSA-N 0 3 290.382 3.477 20 30 CGEDHN CC(C)N(Cc1ccn(C)c1)Cc1ccc(C#N)cc1 ZINC000154373232 371840758 /nfs/dbraw/zinc/84/07/58/371840758.db2.gz JDEDQJOEPAKEGI-UHFFFAOYSA-N 0 3 267.376 3.307 20 30 CGEDHN CN(CC#Cc1ccc(Cl)cc1)CC1CCOCC1 ZINC000155788418 371945123 /nfs/dbraw/zinc/94/51/23/371945123.db2.gz GDWYRXTWPWTWNK-UHFFFAOYSA-N 0 3 277.795 3.050 20 30 CGEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccc(C#N)cc1F ZINC000344116243 217055762 /nfs/dbraw/zinc/05/57/62/217055762.db2.gz NJESKROTPBUWQY-JKSUJKDBSA-N 0 3 290.382 3.381 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(F)c1 ZINC000290326463 371964191 /nfs/dbraw/zinc/96/41/91/371964191.db2.gz DJAHASLEJUJTSD-BPQIPLTHSA-N 0 3 278.330 3.125 20 30 CGEDHN CCCCCCCN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158332558 372064597 /nfs/dbraw/zinc/06/45/97/372064597.db2.gz HBOSSAFWGWMGNB-OWCLPIDISA-N 0 3 269.429 3.225 20 30 CGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000424598972 372087196 /nfs/dbraw/zinc/08/71/96/372087196.db2.gz JPBLDOVHUSPEDN-UHFFFAOYSA-N 0 3 290.407 3.168 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000425310224 372120444 /nfs/dbraw/zinc/12/04/44/372120444.db2.gz XRDRIXKWIKZHAS-KGLIPLIRSA-N 0 3 292.423 3.427 20 30 CGEDHN C=C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000428042752 372179106 /nfs/dbraw/zinc/17/91/06/372179106.db2.gz WDOHTAIMAFJWHL-GOSISDBHSA-N 0 3 298.430 3.463 20 30 CGEDHN COc1ccc(C2(CNCc3ccc(C#N)o3)CCC2)cc1 ZINC000344304297 217141037 /nfs/dbraw/zinc/14/10/37/217141037.db2.gz XJTXHQPAWBZKAM-UHFFFAOYSA-N 0 3 296.370 3.371 20 30 CGEDHN N#Cc1ccc(O[C@H]2CCN(CCCC3CCCC3)C2)nc1 ZINC000428799778 372264354 /nfs/dbraw/zinc/26/43/54/372264354.db2.gz BLMRDSGWAWMYNC-KRWDZBQOSA-N 0 3 299.418 3.377 20 30 CGEDHN CCOC1(CNCc2ccc(C#N)s2)CCCC1 ZINC000293033259 372284096 /nfs/dbraw/zinc/28/40/96/372284096.db2.gz RSHPAAYYGYOGFA-UHFFFAOYSA-N 0 3 264.394 3.059 20 30 CGEDHN Cc1ccc(C#N)c(NC[C@H](C)N(C)Cc2ccccc2)n1 ZINC000161388331 372319095 /nfs/dbraw/zinc/31/90/95/372319095.db2.gz RDBMZMGXKPAAHU-HNNXBMFYSA-N 0 3 294.402 3.194 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000429706742 372377168 /nfs/dbraw/zinc/37/71/68/372377168.db2.gz HGJXUODMIIMWFQ-AWEZNQCLSA-N 0 3 291.395 3.096 20 30 CGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1cccc(F)c1 ZINC000429726243 372378175 /nfs/dbraw/zinc/37/81/75/372378175.db2.gz UPSIWCMSZBYNJH-AWEZNQCLSA-N 0 3 264.388 3.326 20 30 CGEDHN C=CCOc1cccc(CN(C)C(C)(C)COC)c1 ZINC000430171817 372386353 /nfs/dbraw/zinc/38/63/53/372386353.db2.gz WLAJORJJSLJOAE-UHFFFAOYSA-N 0 3 263.381 3.108 20 30 CGEDHN CC[C@H](NCC1(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000430748775 372394120 /nfs/dbraw/zinc/39/41/20/372394120.db2.gz RQXQYCKVHHUMMA-AWEZNQCLSA-N 0 3 273.336 3.329 20 30 CGEDHN C=CCC(F)(F)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000293637965 372433317 /nfs/dbraw/zinc/43/33/17/372433317.db2.gz YMRJPMJWQWMGNL-JSGCOSHPSA-N 0 3 296.361 3.005 20 30 CGEDHN CN(CCSCC1(C#N)CC1)Cc1ccccc1 ZINC000433023441 372578999 /nfs/dbraw/zinc/57/89/99/372578999.db2.gz PXNXPWCPRJMQJI-UHFFFAOYSA-N 0 3 260.406 3.155 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1F ZINC000433109706 372582454 /nfs/dbraw/zinc/58/24/54/372582454.db2.gz LTZUKKPQTDEQOK-OAHLLOKOSA-N 0 3 296.345 3.214 20 30 CGEDHN CC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433218445 372584112 /nfs/dbraw/zinc/58/41/12/372584112.db2.gz IJQILLJBSGVJED-RDJZCZTQSA-N 0 3 284.403 3.408 20 30 CGEDHN CN(C[C@@H]1CCc2ccccc2C1)CC(C)(C)C#N ZINC000433325313 372592268 /nfs/dbraw/zinc/59/22/68/372592268.db2.gz ILFJZZGGTWSWON-CQSZACIVSA-N 0 3 256.393 3.273 20 30 CGEDHN CC1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000433353008 372597516 /nfs/dbraw/zinc/59/75/16/372597516.db2.gz KHEKKCNGQOCWEG-INIZCTEOSA-N 0 3 284.403 3.455 20 30 CGEDHN C[C@H](NCc1cc(C#N)cs1)[C@@H]1COc2ccccc21 ZINC000169107858 372625250 /nfs/dbraw/zinc/62/52/50/372625250.db2.gz ZIMQRSFCRJJMAR-NHYWBVRUSA-N 0 3 284.384 3.274 20 30 CGEDHN C[C@H](NCc1ccc(C#N)s1)[C@H]1COc2ccccc21 ZINC000169136025 372626092 /nfs/dbraw/zinc/62/60/92/372626092.db2.gz BHEBSCYQKKWOML-XHDPSFHLSA-N 0 3 284.384 3.274 20 30 CGEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H]1COc2ccccc21 ZINC000169135937 372626136 /nfs/dbraw/zinc/62/61/36/372626136.db2.gz BHEBSCYQKKWOML-ABAIWWIYSA-N 0 3 284.384 3.274 20 30 CGEDHN N#Cc1ccc(NC[C@H]2CCCCN2C2CC2)c(F)c1 ZINC000433808505 372635182 /nfs/dbraw/zinc/63/51/82/372635182.db2.gz CWOWTHDHFICBTG-CQSZACIVSA-N 0 3 273.355 3.126 20 30 CGEDHN N#Cc1ccccc1CSCCNCc1cccc(O)c1 ZINC000170670709 372648507 /nfs/dbraw/zinc/64/85/07/372648507.db2.gz YOOLGRTVQVFJGI-UHFFFAOYSA-N 0 3 298.411 3.287 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCSC(C)(C)CC1 ZINC000434667466 372700283 /nfs/dbraw/zinc/70/02/83/372700283.db2.gz XEJDYCINWISEFZ-CQSZACIVSA-N 0 3 298.496 3.017 20 30 CGEDHN Cc1ccn(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)n1 ZINC000434504388 372684333 /nfs/dbraw/zinc/68/43/33/372684333.db2.gz UEYUUHLMMGZRJB-UHFFFAOYSA-N 0 3 294.402 3.209 20 30 CGEDHN C=C(C)[C@@H](NCC1(C(=O)OC)CC1)c1ccc(F)c(F)c1 ZINC000295069997 372689955 /nfs/dbraw/zinc/68/99/55/372689955.db2.gz AELYBTPTMWOIFZ-CQSZACIVSA-N 0 3 295.329 3.125 20 30 CGEDHN C=CCOc1ccc(CN2CCCN(C)CC2)cc1Cl ZINC000435234088 372743131 /nfs/dbraw/zinc/74/31/31/372743131.db2.gz YUIXWSDDWIMEKO-UHFFFAOYSA-N 0 3 294.826 3.042 20 30 CGEDHN C=CCN1CCC(NC(=O)c2cccc(C(F)F)c2)CC1 ZINC000171716171 372815904 /nfs/dbraw/zinc/81/59/04/372815904.db2.gz IIIHYVCYKHFAJE-UHFFFAOYSA-N 0 3 294.345 3.004 20 30 CGEDHN C[C@H](NCc1ccc(C#N)o1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000344700467 217279728 /nfs/dbraw/zinc/27/97/28/217279728.db2.gz OOTCWVZXRHRSQG-PRXAMGSTSA-N 0 3 282.343 3.194 20 30 CGEDHN N#Cc1ccc(CN(CCc2cccnc2)C2CC2)cc1 ZINC000172157854 372914129 /nfs/dbraw/zinc/91/41/29/372914129.db2.gz MXBUJAPRHBGLGV-UHFFFAOYSA-N 0 3 277.371 3.160 20 30 CGEDHN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)C ZINC000172171349 372918508 /nfs/dbraw/zinc/91/85/08/372918508.db2.gz AZINEXGMQRXVMY-UHFFFAOYSA-N 0 3 293.798 3.128 20 30 CGEDHN CC[C@H](C)N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000295962296 372974660 /nfs/dbraw/zinc/97/46/60/372974660.db2.gz HWAXQUFZGHMGIF-HNNXBMFYSA-N 0 3 290.838 3.108 20 30 CGEDHN CCN(CCC(=O)OC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000172721617 373021551 /nfs/dbraw/zinc/02/15/51/373021551.db2.gz YUPHAHVDPGIDHW-AWEZNQCLSA-N 0 3 288.391 3.283 20 30 CGEDHN CC1CCN(c2ccc(CN[C@H]3CC[C@H](C#N)C3)cn2)CC1 ZINC000442715074 373068309 /nfs/dbraw/zinc/06/83/09/373068309.db2.gz KWZLYKDVQWVLIN-RDJZCZTQSA-N 0 3 298.434 3.100 20 30 CGEDHN CSCc1cc(F)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442778318 373077256 /nfs/dbraw/zinc/07/72/56/373077256.db2.gz BJMDLZKREJEILC-IAQYHMDHSA-N 0 3 278.396 3.471 20 30 CGEDHN CC(C)N(C)c1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442879868 373116647 /nfs/dbraw/zinc/11/66/47/373116647.db2.gz WPSVNDXYFGOWBG-HOCLYGCPSA-N 0 3 271.408 3.313 20 30 CGEDHN Cc1ccc([C@H](CN[C@H]2CC[C@@H](C#N)C2)N2CCCC2)o1 ZINC000442793113 373084197 /nfs/dbraw/zinc/08/41/97/373084197.db2.gz POBOZOHYADFVSS-PMPSAXMXSA-N 0 3 287.407 3.007 20 30 CGEDHN Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c(CN(C)C)c1 ZINC000442881708 373117066 /nfs/dbraw/zinc/11/70/66/373117066.db2.gz NOGXBMPSKXCWDM-UKRRQHHQSA-N 0 3 257.381 3.161 20 30 CGEDHN N#C[C@H]1CC[C@H](NCCOc2ccccc2C(F)(F)F)C1 ZINC000442861742 373107421 /nfs/dbraw/zinc/10/74/21/373107421.db2.gz YIARABUBVZJZFV-RYUDHWBXSA-N 0 3 298.308 3.366 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000442726980 373070954 /nfs/dbraw/zinc/07/09/54/373070954.db2.gz URPMQANCTDJTDZ-NXEZZACHSA-N 0 3 284.281 3.085 20 30 CGEDHN C=CC[C@@H]1N(Cc2nccn2CC)CCCC1(C)C ZINC000444780496 373272821 /nfs/dbraw/zinc/27/28/21/373272821.db2.gz FLIBNMFXBVJQHY-AWEZNQCLSA-N 0 3 261.413 3.470 20 30 CGEDHN CCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C ZINC000444677834 373231608 /nfs/dbraw/zinc/23/16/08/373231608.db2.gz QIALXTULFNEKIK-PBHICJAKSA-N 0 3 299.418 3.397 20 30 CGEDHN CN(C)CCN(Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000289654675 197435628 /nfs/dbraw/zinc/43/56/28/197435628.db2.gz CKWBUFKMNGENLO-UHFFFAOYSA-N 0 3 299.443 3.184 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000448774705 373639732 /nfs/dbraw/zinc/63/97/32/373639732.db2.gz MGBPMUCPALFZFW-GDBMZVCRSA-N 0 3 286.419 3.150 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000448919419 373650279 /nfs/dbraw/zinc/65/02/79/373650279.db2.gz ASJBBOMHLWSETN-HRCADAONSA-N 0 3 292.467 3.215 20 30 CGEDHN CC#CCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449227135 373673329 /nfs/dbraw/zinc/67/33/29/373673329.db2.gz OWHHKVFIUPMESF-NSHDSACASA-N 0 3 253.267 3.094 20 30 CGEDHN Cc1ccc(CN(C)C)cc1NC(=O)C1(C#N)CCCCC1 ZINC000177304564 373674757 /nfs/dbraw/zinc/67/47/57/373674757.db2.gz NGPJGTWVJBLZEO-UHFFFAOYSA-N 0 3 299.418 3.469 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@](C)(COC)C1 ZINC000449389063 373686406 /nfs/dbraw/zinc/68/64/06/373686406.db2.gz BVDNGWWDOXPHAM-QGZVFWFLSA-N 0 3 275.392 3.110 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)cc1 ZINC000301230702 373700881 /nfs/dbraw/zinc/70/08/81/373700881.db2.gz ALQOZRFXQSBMAY-MRXNPFEDSA-N 0 3 291.398 3.269 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000449449815 373731515 /nfs/dbraw/zinc/73/15/15/373731515.db2.gz FBUCQTXVNQYNCE-ARFHVFGLSA-N 0 3 290.432 3.135 20 30 CGEDHN C=C(C)CCNCc1cc(OC)ccc1OC(F)F ZINC000449472893 373757129 /nfs/dbraw/zinc/75/71/29/373757129.db2.gz GMQGTJOGLGHQAF-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN C[C@@H](NCCCC#N)c1ccc(OC(F)F)cc1 ZINC000179615113 373896530 /nfs/dbraw/zinc/89/65/30/373896530.db2.gz AQPIIDKZYAHTGC-SNVBAGLBSA-N 0 3 254.280 3.242 20 30 CGEDHN C=C(CC)CNCc1cnn(-c2ccc(F)cc2)c1 ZINC000449735713 373863495 /nfs/dbraw/zinc/86/34/95/373863495.db2.gz UOHZUAFEAXIDKT-UHFFFAOYSA-N 0 3 259.328 3.067 20 30 CGEDHN C[C@H](NC[C@@]1(C)CCCC[C@H]1O)c1ccc(C#N)cc1F ZINC000305807927 374115387 /nfs/dbraw/zinc/11/53/87/374115387.db2.gz HKSUTBRDUVINPV-JCURWCKSSA-N 0 3 290.382 3.289 20 30 CGEDHN CC1=CCN(CCNc2cccc(Cl)c2C#N)CC1 ZINC000450436136 374127521 /nfs/dbraw/zinc/12/75/21/374127521.db2.gz GISRWAVZNFXVNQ-UHFFFAOYSA-N 0 3 275.783 3.276 20 30 CGEDHN CN(CC1(C#N)CCC1)C1CCN(Cc2ccccc2)CC1 ZINC000450569486 374161994 /nfs/dbraw/zinc/16/19/94/374161994.db2.gz WXQFUOMGZNVZCJ-UHFFFAOYSA-N 0 3 297.446 3.277 20 30 CGEDHN C[C@H](NCCC(=O)Nc1ccccc1)c1cccc(C#N)c1 ZINC000181745332 374164801 /nfs/dbraw/zinc/16/48/01/374164801.db2.gz XVMGIDHOWWBHTM-AWEZNQCLSA-N 0 3 293.370 3.238 20 30 CGEDHN C[C@H](NC[C@H](C#N)CCC#N)C(C)(C)c1ccccc1 ZINC000181773303 374169814 /nfs/dbraw/zinc/16/98/14/374169814.db2.gz MWGZYWQOBNTHKJ-GJZGRUSLSA-N 0 3 269.392 3.386 20 30 CGEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(C#N)cc1F ZINC000453287526 374392336 /nfs/dbraw/zinc/39/23/36/374392336.db2.gz GKLRNCSSFYNWHS-OBJOEFQTSA-N 0 3 271.339 3.430 20 30 CGEDHN N#CCCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183731666 374447323 /nfs/dbraw/zinc/44/73/23/374447323.db2.gz NNHFKAZMGIYQTP-UHFFFAOYSA-N 0 3 267.716 3.032 20 30 CGEDHN COc1ccc(OC)c([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185759605 374732015 /nfs/dbraw/zinc/73/20/15/374732015.db2.gz XAQDMRGLSHJVHD-IHRRRGAJSA-N 0 3 288.391 3.437 20 30 CGEDHN C=CC[C@H](CO)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000186684499 374898853 /nfs/dbraw/zinc/89/88/53/374898853.db2.gz CBTGVWCAXIDXHA-GXTWGEPZSA-N 0 3 289.375 3.419 20 30 CGEDHN CC(C#N)C(=O)N(CCc1ccccc1F)C1CCCC1 ZINC000468643100 374983161 /nfs/dbraw/zinc/98/31/61/374983161.db2.gz NMIQURMFWDWQBX-ZDUSSCGKSA-N 0 3 288.366 3.299 20 30 CGEDHN C=C(C)[C@@H](NC[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000479416714 375151624 /nfs/dbraw/zinc/15/16/24/375151624.db2.gz ZFXINJKGDVASOD-XHDPSFHLSA-N 0 3 267.319 3.208 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CC[C@H](C)O1 ZINC000188544049 375229106 /nfs/dbraw/zinc/22/91/06/375229106.db2.gz UJZWQDLFAXITBG-WMLDXEAASA-N 0 3 272.392 3.336 20 30 CGEDHN C=CCN(C)CC1(COc2cccc(COC)c2)CCC1 ZINC000494626618 375489818 /nfs/dbraw/zinc/48/98/18/375489818.db2.gz RKHSPAMWMMUFEC-UHFFFAOYSA-N 0 3 289.419 3.500 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCSC1 ZINC000494982304 375495267 /nfs/dbraw/zinc/49/52/67/375495267.db2.gz VVTDIHJHFOLTAW-CQSZACIVSA-N 0 3 292.404 3.336 20 30 CGEDHN C=C(CC)CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495627037 375499272 /nfs/dbraw/zinc/49/92/72/375499272.db2.gz TWBUWHXJOZNWTD-KBPBESRZSA-N 0 3 282.428 3.330 20 30 CGEDHN CN(CCCCC(C)(C)C#N)CCNC(=O)OC(C)(C)C ZINC000496142780 375518143 /nfs/dbraw/zinc/51/81/43/375518143.db2.gz SZGGHXCUHRUELY-UHFFFAOYSA-N 0 3 297.443 3.163 20 30 CGEDHN C=CCN(CCOC)CCc1ccccc1Cl ZINC000191145602 375583154 /nfs/dbraw/zinc/58/31/54/375583154.db2.gz NTWZQJBPRVWDAI-UHFFFAOYSA-N 0 3 253.773 3.017 20 30 CGEDHN C=CC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000191354397 375616415 /nfs/dbraw/zinc/61/64/15/375616415.db2.gz ADEDCKPBHJVNBK-UHFFFAOYSA-N 0 3 273.424 3.324 20 30 CGEDHN CN(CCCCc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000191253305 375600536 /nfs/dbraw/zinc/60/05/36/375600536.db2.gz KJYIZDABUQJVLZ-UHFFFAOYSA-N 0 3 281.403 3.351 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000121145628 542014854 /nfs/dbraw/zinc/01/48/54/542014854.db2.gz WXCIEGIXVUFGTE-AWEZNQCLSA-N 0 3 287.325 3.464 20 30 CGEDHN CC(C)c1ccc(C[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000501656257 375641267 /nfs/dbraw/zinc/64/12/67/375641267.db2.gz OTHLSNLSEBNOMC-QWHCGFSZSA-N 0 3 258.365 3.017 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(-n2ccnc2)cc1C ZINC000191935910 375680012 /nfs/dbraw/zinc/68/00/12/375680012.db2.gz ZZPWEARIAQVVEY-UHFFFAOYSA-N 0 3 267.376 3.355 20 30 CGEDHN CCc1cccnc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000507456774 375702644 /nfs/dbraw/zinc/70/26/44/375702644.db2.gz AAIYNOVFKFESRG-AWEZNQCLSA-N 0 3 295.386 3.245 20 30 CGEDHN Cc1ccc([C@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000336375156 375783640 /nfs/dbraw/zinc/78/36/40/375783640.db2.gz NXIWWEYNRYVQJU-UKRRQHHQSA-N 0 3 256.349 3.208 20 30 CGEDHN Cc1ccc2nc(CN[C@H]3CCC[C@H](C#N)C3)[nH]c2c1 ZINC000336251901 375764090 /nfs/dbraw/zinc/76/40/90/375764090.db2.gz KSKDQTCENSJZEP-STQMWFEESA-N 0 3 268.364 3.043 20 30 CGEDHN C=CCCCCN1CCN(CCc2ccccc2)CC1 ZINC000515460243 375812993 /nfs/dbraw/zinc/81/29/93/375812993.db2.gz NQFIZDVLGYVTJN-UHFFFAOYSA-N 0 3 272.436 3.203 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193022980 375815861 /nfs/dbraw/zinc/81/58/61/375815861.db2.gz HZOIBWURCBXXCV-INIZCTEOSA-N 0 3 290.363 3.155 20 30 CGEDHN CC(C)CN(C)Cc1ccc(Br)cc1C#N ZINC000336651745 375895114 /nfs/dbraw/zinc/89/51/14/375895114.db2.gz IAYCOZQTHFJMCS-UHFFFAOYSA-N 0 3 281.197 3.409 20 30 CGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000528755707 375908612 /nfs/dbraw/zinc/90/86/12/375908612.db2.gz HSTSWDIUFOTBEH-JFILPPLUSA-N 0 3 277.795 3.093 20 30 CGEDHN C=CCOc1ccccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194036711 375953097 /nfs/dbraw/zinc/95/30/97/375953097.db2.gz VGNUNSDJXKVKPT-KBAYOESNSA-N 0 3 299.414 3.299 20 30 CGEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000529947123 375936732 /nfs/dbraw/zinc/93/67/32/375936732.db2.gz IQCBXYPGEIALOL-FZMZJTMJSA-N 0 3 274.339 3.080 20 30 CGEDHN C=CCCN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000530733779 375943484 /nfs/dbraw/zinc/94/34/84/375943484.db2.gz YUTGVLJDGNZAGJ-GJZGRUSLSA-N 0 3 265.397 3.006 20 30 CGEDHN Cc1cccc2oc(CCNCc3ccc(C#N)cc3)nc21 ZINC000337133656 376090651 /nfs/dbraw/zinc/09/06/51/376090651.db2.gz MISBLHMQFYGXCK-UHFFFAOYSA-N 0 3 291.354 3.340 20 30 CGEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2cccc(C)c2C)C1=O ZINC000337197413 376131386 /nfs/dbraw/zinc/13/13/86/376131386.db2.gz XDLAPQAMTDZDKU-QZTJIDSGSA-N 0 3 298.430 3.227 20 30 CGEDHN Cc1csc([C@@H](C)NCCCC2(C#N)CCOCC2)n1 ZINC000337206359 376136189 /nfs/dbraw/zinc/13/61/89/376136189.db2.gz MIGRVJAUNPXVQP-CYBMUJFWSA-N 0 3 293.436 3.203 20 30 CGEDHN C=CCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000337268702 376180406 /nfs/dbraw/zinc/18/04/06/376180406.db2.gz KUKQLGZTLGXDBP-UHFFFAOYSA-N 0 3 264.800 3.034 20 30 CGEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000338011218 376253761 /nfs/dbraw/zinc/25/37/61/376253761.db2.gz IDRFZULVMRNNLC-HCKVZZMMSA-N 0 3 274.339 3.103 20 30 CGEDHN C=CCN(CC=C)C(=O)CN[C@]1(C)CCCc2ccccc21 ZINC000539807751 376333097 /nfs/dbraw/zinc/33/30/97/376333097.db2.gz HSEGTFHTAJZHCJ-LJQANCHMSA-N 0 3 298.430 3.028 20 30 CGEDHN Cc1ccc(C)c(OCCN2CCC(CC#N)CC2)c1 ZINC000541949029 376497211 /nfs/dbraw/zinc/49/72/11/376497211.db2.gz QBOWRPVHQFOQKD-UHFFFAOYSA-N 0 3 272.392 3.308 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nccs3)C2)C1 ZINC000338947321 376594229 /nfs/dbraw/zinc/59/42/29/376594229.db2.gz DZFICXANRWSXNJ-UPJWGTAASA-N 0 3 261.394 3.015 20 30 CGEDHN CC[C@@H](CSC)N(C)Cc1ccc(C#N)c(OC)c1 ZINC000233883531 376603670 /nfs/dbraw/zinc/60/36/70/376603670.db2.gz OHNWQOVNTSYPHC-AWEZNQCLSA-N 0 3 278.421 3.140 20 30 CGEDHN CCS[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1F ZINC000233846249 376604693 /nfs/dbraw/zinc/60/46/93/376604693.db2.gz ZYKDBTNDXNMIOJ-HUUCEWRRSA-N 0 3 278.396 3.461 20 30 CGEDHN CCS[C@@H]1CCC[C@@H]1NCc1cccc(C#N)c1F ZINC000233991973 376606855 /nfs/dbraw/zinc/60/68/55/376606855.db2.gz QLXHRDVWSPFCEX-UONOGXRCSA-N 0 3 278.396 3.461 20 30 CGEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000232315110 376579396 /nfs/dbraw/zinc/57/93/96/376579396.db2.gz SVZSXRODQUIQEX-MRXNPFEDSA-N 0 3 253.349 3.138 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3ncc4n3CCCC4)C2)C1 ZINC000339158128 376715744 /nfs/dbraw/zinc/71/57/44/376715744.db2.gz ZTUNMNAXFYTKPU-PMPSAXMXSA-N 0 3 298.434 3.091 20 30 CGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(CSC)s1 ZINC000339385093 376751156 /nfs/dbraw/zinc/75/11/56/376751156.db2.gz LHIMAFGYFOZOOJ-BXUZGUMPSA-N 0 3 298.477 3.077 20 30 CGEDHN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC000245961763 376945161 /nfs/dbraw/zinc/94/51/61/376945161.db2.gz YFNWXAWZMCLVRK-HUUCEWRRSA-N 0 3 266.429 3.110 20 30 CGEDHN COc1ccc(CN2CC[C@H]2Cc2ccccc2)cc1C#N ZINC000340196621 376946586 /nfs/dbraw/zinc/94/65/86/376946586.db2.gz YQIRHUUVWCSXEG-SFHVURJKSA-N 0 3 292.382 3.384 20 30 CGEDHN C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H](C)C1 ZINC000246117615 376969791 /nfs/dbraw/zinc/96/97/91/376969791.db2.gz KDJISSJKLNAYLH-KBPBESRZSA-N 0 3 282.391 3.074 20 30 CGEDHN CC[C@@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000340676664 377208303 /nfs/dbraw/zinc/20/83/03/377208303.db2.gz BYTVZSYMRFWFOF-CQSZACIVSA-N 0 3 253.349 3.185 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H](O)Cc1cccc(Cl)c1 ZINC000561886778 377250703 /nfs/dbraw/zinc/25/07/03/377250703.db2.gz MIDXTODUTUXLAV-HZPDHXFCSA-N 0 3 279.811 3.284 20 30 CGEDHN C=CCCCNCc1ccc(OC)cc1OC(F)F ZINC000562504621 377320069 /nfs/dbraw/zinc/32/00/69/377320069.db2.gz YVWOMURTPBNRDL-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN CCCOc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000562385850 377305378 /nfs/dbraw/zinc/30/53/78/377305378.db2.gz FONNREKZSXSCMB-UHFFFAOYSA-N 0 3 258.365 3.259 20 30 CGEDHN CO[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000248938169 377431903 /nfs/dbraw/zinc/43/19/03/377431903.db2.gz YNQWOLUKTUPRFG-UHOFOFEASA-N 0 3 276.355 3.185 20 30 CGEDHN CO[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248873779 377418720 /nfs/dbraw/zinc/41/87/20/377418720.db2.gz QWGFTDMTLZTUTR-VNQPRFMTSA-N 0 3 258.365 3.046 20 30 CGEDHN C=CCC[C@H](CCC)NCc1ccc(C(=O)OC)o1 ZINC000567200871 377504628 /nfs/dbraw/zinc/50/46/28/377504628.db2.gz AEVOXTQIJHSHSM-LBPRGKRZSA-N 0 3 265.353 3.291 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccccc2)s1 ZINC000341322455 377505919 /nfs/dbraw/zinc/50/59/19/377505919.db2.gz NXGYURNGOVFESD-CYBMUJFWSA-N 0 3 288.416 3.084 20 30 CGEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000564809426 377480092 /nfs/dbraw/zinc/48/00/92/377480092.db2.gz GXZDFSORPORHLQ-KMFMINBZSA-N 0 3 285.366 3.495 20 30 CGEDHN Cc1ccc(C2CC2)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000569839278 377531092 /nfs/dbraw/zinc/53/10/92/377531092.db2.gz QXRZRMRWPGIYSG-HNNXBMFYSA-N 0 3 277.327 3.153 20 30 CGEDHN C=CCN(C(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000177101257 542190800 /nfs/dbraw/zinc/19/08/00/542190800.db2.gz WMTQQXKDSNUOAS-HUUCEWRRSA-N 0 3 272.392 3.078 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCCCC2 ZINC000519015552 249291332 /nfs/dbraw/zinc/29/13/32/249291332.db2.gz GAWHGLBNBSGCFU-SJORKVTESA-N 0 3 299.418 3.171 20 30 CGEDHN CC(C)c1ncc(CNCCc2cccc(C#N)c2)s1 ZINC000341492507 377592803 /nfs/dbraw/zinc/59/28/03/377592803.db2.gz VOARCGCGVIJFQY-UHFFFAOYSA-N 0 3 285.416 3.470 20 30 CGEDHN COc1ccc([C@@H](C)[C@H](C)NCC2(C#N)CC2)cc1OC ZINC000574137969 377624010 /nfs/dbraw/zinc/62/40/10/377624010.db2.gz LDGUNZYWGBGLQI-STQMWFEESA-N 0 3 288.391 3.089 20 30 CGEDHN Cc1ccc(C[C@@H](C)NC[C@H](C#N)CCC#N)c(C)c1 ZINC000574151488 377626529 /nfs/dbraw/zinc/62/65/29/377626529.db2.gz NPZUBDMZSKYVGV-CVEARBPZSA-N 0 3 269.392 3.268 20 30 CGEDHN C=CCCN(C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000342716373 377751986 /nfs/dbraw/zinc/75/19/86/377751986.db2.gz DEHLUAPXXGAREK-KRWDZBQOSA-N 0 3 286.419 3.030 20 30 CGEDHN C=CCCN(C)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000342729534 377760548 /nfs/dbraw/zinc/76/05/48/377760548.db2.gz FUQBOHSLKJCGHQ-MRXNPFEDSA-N 0 3 290.382 3.137 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000343466074 377988312 /nfs/dbraw/zinc/98/83/12/377988312.db2.gz IHIZECJIPIXGHH-PBHICJAKSA-N 0 3 275.392 3.108 20 30 CGEDHN CN(C)Cc1ccc(-c2noc(C3(C#N)CCCC3)n2)cc1 ZINC000267135434 378032150 /nfs/dbraw/zinc/03/21/50/378032150.db2.gz WPFUFYGATSZGGY-UHFFFAOYSA-N 0 3 296.374 3.134 20 30 CGEDHN Cc1sc(NC(=O)CN(C)[C@H](C)C(C)C)c(C#N)c1C ZINC000267422801 378039726 /nfs/dbraw/zinc/03/97/26/378039726.db2.gz UXAGSMKNMPGBIS-LLVKDONJSA-N 0 3 293.436 3.151 20 30 CGEDHN CC(C)[C@H](C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000578450390 378071964 /nfs/dbraw/zinc/07/19/64/378071964.db2.gz YCEFLEUVCAZENI-YOEHRIQHSA-N 0 3 299.418 3.030 20 30 CGEDHN C=CCC[C@H](O)CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000578901607 378112565 /nfs/dbraw/zinc/11/25/65/378112565.db2.gz VUEHXZMQIINFFI-JSGCOSHPSA-N 0 3 265.422 3.458 20 30 CGEDHN COC[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(C#N)cc1 ZINC000268818449 378121133 /nfs/dbraw/zinc/12/11/33/378121133.db2.gz QYUZTYJBDMTYOW-DNVCBOLYSA-N 0 3 294.398 3.467 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000579055357 378125486 /nfs/dbraw/zinc/12/54/86/378125486.db2.gz POWPFIBJQIFQJR-MRXNPFEDSA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(CNCc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000343789194 378094036 /nfs/dbraw/zinc/09/40/36/378094036.db2.gz RZHKQIMTUIGRIM-FQEVSTJZSA-N 0 3 285.412 3.227 20 30 CGEDHN CC[C@@H](NC[C@H](O)c1ccccc1F)c1ccc(C#N)cc1 ZINC000278284324 193897977 /nfs/dbraw/zinc/89/79/77/193897977.db2.gz QFWTVYIJKYDCCG-MSOLQXFVSA-N 0 3 298.361 3.472 20 30 CGEDHN CC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCCCCC1 ZINC000345104162 378196081 /nfs/dbraw/zinc/19/60/81/378196081.db2.gz QRPXNSBUFOCCDS-INIZCTEOSA-N 0 3 299.418 3.035 20 30 CGEDHN CC(C)Oc1ccc2ccccc2c1CNC(=O)C(C)C#N ZINC000345133933 378200933 /nfs/dbraw/zinc/20/09/33/378200933.db2.gz OZSNDWYVXXSKKI-ZDUSSCGKSA-N 0 3 296.370 3.403 20 30 CGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC000579964440 378213150 /nfs/dbraw/zinc/21/31/50/378213150.db2.gz HGFWOEOAYKIYQO-QWHCGFSZSA-N 0 3 287.363 3.334 20 30 CGEDHN Cc1cc(F)cc2c1ncc(C#N)c2NC1CCN(C)CC1 ZINC000269409148 378217841 /nfs/dbraw/zinc/21/78/41/378217841.db2.gz YTWHNZPYMXNJEO-UHFFFAOYSA-N 0 3 298.365 3.060 20 30 CGEDHN C=CCOCCCN[C@H](COC)c1cccc(Cl)c1 ZINC000344196482 378163566 /nfs/dbraw/zinc/16/35/66/378163566.db2.gz KMMGWNDQZDOAIZ-OAHLLOKOSA-N 0 3 283.799 3.210 20 30 CGEDHN C=CCN1CCC(N[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269878373 378277078 /nfs/dbraw/zinc/27/70/78/378277078.db2.gz QQRZBLPQQCJKDM-INIZCTEOSA-N 0 3 292.373 3.192 20 30 CGEDHN C#CCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000270528462 378364933 /nfs/dbraw/zinc/36/49/33/378364933.db2.gz FANYQLJMEMHGPG-UHFFFAOYSA-N 0 3 268.335 3.419 20 30 CGEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000345790872 378370755 /nfs/dbraw/zinc/37/07/55/378370755.db2.gz HAKITIJJPIDTTL-MNOVXSKESA-N 0 3 285.372 3.147 20 30 CGEDHN Cc1nc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)c(C)o1 ZINC000346123340 378470169 /nfs/dbraw/zinc/47/01/69/378470169.db2.gz ACJQESOPJDFARS-JTQLQIEISA-N 0 3 287.338 3.196 20 30 CGEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000271455357 378493338 /nfs/dbraw/zinc/49/33/38/378493338.db2.gz DJDKCDIGHYRSDV-JKSUJKDBSA-N 0 3 299.418 3.196 20 30 CGEDHN CCN(CCC#N)C(=O)CN1CCCC(CC)(CC)CC1 ZINC000346471106 378588814 /nfs/dbraw/zinc/58/88/14/378588814.db2.gz OBPZIURBVCESRO-UHFFFAOYSA-N 0 3 293.455 3.041 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000272373583 378623118 /nfs/dbraw/zinc/62/31/18/378623118.db2.gz AHGBFUFPSCIBJI-SNVBAGLBSA-N 0 3 257.736 3.332 20 30 CGEDHN C=CCN(CCC[C@H]1CCO1)Cc1ccc(OC)cc1 ZINC000637959604 378646941 /nfs/dbraw/zinc/64/69/41/378646941.db2.gz HQLUUWQTTROUAL-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCS(=O)(=O)CCN[C@H](CCCC)c1ccccc1 ZINC000272864270 378714348 /nfs/dbraw/zinc/71/43/48/378714348.db2.gz NLQMVZGKALIFEF-MRXNPFEDSA-N 0 3 295.448 3.108 20 30 CGEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CC2)C12CCCCC2 ZINC000348157192 378816355 /nfs/dbraw/zinc/81/63/55/378816355.db2.gz FFESZBHYIFBAQN-UONOGXRCSA-N 0 3 262.397 3.008 20 30 CGEDHN COc1ccc(CN2CCCC3(CCC3)C2)cc1C#N ZINC000348182597 378826990 /nfs/dbraw/zinc/82/69/90/378826990.db2.gz RGCDBGRLJWFWEU-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN CC(C)(CCC#N)CN[C@@H](c1ccccc1)c1cncnc1 ZINC000348214068 378841907 /nfs/dbraw/zinc/84/19/07/378841907.db2.gz KDMNDZJULYZDRU-KRWDZBQOSA-N 0 3 294.402 3.486 20 30 CGEDHN C=CCOc1ccc(CNCCC(C)(C)O)cc1Cl ZINC000274749226 378887160 /nfs/dbraw/zinc/88/71/60/378887160.db2.gz LZOAJVQMJFFKQJ-UHFFFAOYSA-N 0 3 283.799 3.155 20 30 CGEDHN C[C@@](O)(CCNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000275068853 378933716 /nfs/dbraw/zinc/93/37/16/378933716.db2.gz UIIGPXDIHFRKJV-GOSISDBHSA-N 0 3 298.361 3.085 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCCCO2 ZINC000348399797 378940594 /nfs/dbraw/zinc/94/05/94/378940594.db2.gz RGKOUAMQJJBWQE-ZDUSSCGKSA-N 0 3 286.375 3.192 20 30 CGEDHN C[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccc(C#N)c(F)c1 ZINC000348333775 378914657 /nfs/dbraw/zinc/91/46/57/378914657.db2.gz OKDXJZFCWAIOML-HNBZJPLGSA-N 0 3 254.255 3.002 20 30 CGEDHN Cc1cc([C@H](C)NCc2cc(C#N)n(C)c2)ccc1F ZINC000276643311 378972811 /nfs/dbraw/zinc/97/28/11/378972811.db2.gz RFOHUSGTNHYRGI-LBPRGKRZSA-N 0 3 271.339 3.195 20 30 CGEDHN C=CCN(C1CC1)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000639057173 378990375 /nfs/dbraw/zinc/99/03/75/378990375.db2.gz DXPODNQIIAXOGK-HNNXBMFYSA-N 0 3 273.376 3.342 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H]1Cc1ccccc1 ZINC000347225178 218161373 /nfs/dbraw/zinc/16/13/73/218161373.db2.gz FOJBRWPSSVYYJH-GOSISDBHSA-N 0 3 292.382 3.384 20 30 CGEDHN N#Cc1ccc(C2=CCN(CCc3ccncc3)CC2)cc1 ZINC000371336732 379142676 /nfs/dbraw/zinc/14/26/76/379142676.db2.gz SNBNQTOGAPBZKV-UHFFFAOYSA-N 0 3 289.382 3.285 20 30 CGEDHN CC(C)[C@H](C)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266555352 190266710 /nfs/dbraw/zinc/26/67/10/190266710.db2.gz VPGDLMKCQRSYSW-LBPRGKRZSA-N 0 3 284.363 3.085 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H]1CCO[C@H]1C ZINC000639435034 379381800 /nfs/dbraw/zinc/38/18/00/379381800.db2.gz MHGPIFAKLHRKPP-STQMWFEESA-N 0 3 251.395 3.161 20 30 CGEDHN CC[C@@H](C)[C@H](C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000347619027 218293751 /nfs/dbraw/zinc/29/37/51/218293751.db2.gz WJHIZMCGNBDLCW-NEPJUHHUSA-N 0 3 284.363 3.132 20 30 CGEDHN N#Cc1cccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374482436 379446169 /nfs/dbraw/zinc/44/61/69/379446169.db2.gz RZQDVMHPAOBFMQ-RBUKOAKNSA-N 0 3 292.382 3.426 20 30 CGEDHN COc1ccc(Cl)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349821292 379402109 /nfs/dbraw/zinc/40/21/09/379402109.db2.gz JZDGIQPNSXHCRV-GXFFZTMASA-N 0 3 264.756 3.130 20 30 CGEDHN CO[C@]1(C)CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000280366718 379689762 /nfs/dbraw/zinc/68/97/62/379689762.db2.gz UVXJDWTYPNPBDU-MRXNPFEDSA-N 0 3 276.355 3.088 20 30 CGEDHN CC(C#N)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000351532157 379727549 /nfs/dbraw/zinc/72/75/49/379727549.db2.gz ZWZFXUCHKKGZLG-SWLSCSKDSA-N 0 3 256.349 3.194 20 30 CGEDHN N#Cc1ccc(CNCC2CCN(c3ccccc3)CC2)o1 ZINC000280554002 379731401 /nfs/dbraw/zinc/73/14/01/379731401.db2.gz KIQBJEGUQJAGME-UHFFFAOYSA-N 0 3 295.386 3.157 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000280656910 379756481 /nfs/dbraw/zinc/75/64/81/379756481.db2.gz OSSAQWGXRIDXLM-YOEHRIQHSA-N 0 3 275.392 3.080 20 30 CGEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000280719603 379772725 /nfs/dbraw/zinc/77/27/25/379772725.db2.gz CAQYKYOFFYLXKF-GUDVDZBRSA-N 0 3 298.430 3.464 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(F)ccc1F ZINC000280768846 379784376 /nfs/dbraw/zinc/78/43/76/379784376.db2.gz ZKFZFXXZUVZDPP-NHYWBVRUSA-N 0 3 267.319 3.036 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(F)c(F)cc1F ZINC000280768789 379784434 /nfs/dbraw/zinc/78/44/34/379784434.db2.gz ZJCOBSGXBDGNTM-ZUZCIYMTSA-N 0 3 285.309 3.175 20 30 CGEDHN C=CC[C@H](CC)N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000280966500 379811240 /nfs/dbraw/zinc/81/12/40/379811240.db2.gz HLOCGULBOFLPCO-HOCLYGCPSA-N 0 3 290.382 3.090 20 30 CGEDHN C#CCCOc1ccc(CN2CCCO[C@@H](CC)C2)cc1 ZINC000281192480 379821376 /nfs/dbraw/zinc/82/13/76/379821376.db2.gz IOISYJQPBOPIEB-KRWDZBQOSA-N 0 3 287.403 3.090 20 30 CGEDHN C#CCCOc1ccc(CN2CCCO[C@H](CC)C2)cc1 ZINC000281192483 379821888 /nfs/dbraw/zinc/82/18/88/379821888.db2.gz IOISYJQPBOPIEB-QGZVFWFLSA-N 0 3 287.403 3.090 20 30 CGEDHN CC(C#N)C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000352677066 379904282 /nfs/dbraw/zinc/90/42/82/379904282.db2.gz KTVTXKCQEOEYJT-CQSZACIVSA-N 0 3 270.376 3.065 20 30 CGEDHN CC(C)[C@H]1CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000352683632 379906808 /nfs/dbraw/zinc/90/68/08/379906808.db2.gz KYLVHQXXGMFQCZ-QGZVFWFLSA-N 0 3 294.402 3.189 20 30 CGEDHN C=CCN1CC[C@H](N2C[C@H](C)CC[C@@H]2c2ccccc2)C1=O ZINC000352801905 379967912 /nfs/dbraw/zinc/96/79/12/379967912.db2.gz UJQUSHIWIIZBHI-NXHRZFHOSA-N 0 3 298.430 3.247 20 30 CGEDHN N#Cc1csc(CN[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000352841916 379997442 /nfs/dbraw/zinc/99/74/42/379997442.db2.gz UFJOLGXVSMALRJ-LSDHHAIUSA-N 0 3 283.400 3.441 20 30 CGEDHN C[C@@H](N[C@@H]1CSC1(C)C)c1ccc(C#N)c(F)c1 ZINC000283468820 380065453 /nfs/dbraw/zinc/06/54/53/380065453.db2.gz WCXHSBJPBQTONR-NOZJJQNGSA-N 0 3 264.369 3.242 20 30 CGEDHN C=CCOc1ccc(CNC/C=C\c2ccncc2)cc1 ZINC000352924265 380041405 /nfs/dbraw/zinc/04/14/05/380041405.db2.gz YTPRJTKODIVDPG-ARJAWSKDSA-N 0 3 280.371 3.449 20 30 CGEDHN N#CC1(CCN2CCCSCC2)CCCCC1 ZINC000411418801 380146754 /nfs/dbraw/zinc/14/67/54/380146754.db2.gz KDTASGZZLUDRKB-UHFFFAOYSA-N 0 3 252.427 3.289 20 30 CGEDHN C[C@H](CCC#N)N1CCC(OC2CCCC2)CC1 ZINC000411208003 380134044 /nfs/dbraw/zinc/13/40/44/380134044.db2.gz KBKOIWIMUUCDBU-CYBMUJFWSA-N 0 3 250.386 3.102 20 30 CGEDHN COc1cc(CNCc2cc(C)ccc2C)ccc1C#N ZINC000353229008 380178353 /nfs/dbraw/zinc/17/83/53/380178353.db2.gz QLELYXZWKPWWKJ-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN COc1cccc2c1CC[C@@H]2NCC(C)(C)CC#N ZINC000414161671 380195513 /nfs/dbraw/zinc/19/55/13/380195513.db2.gz FZOXKNYMVCPASX-AWEZNQCLSA-N 0 3 258.365 3.212 20 30 CGEDHN CCCN1CCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000353974157 380259290 /nfs/dbraw/zinc/25/92/90/380259290.db2.gz RNYOAYRBWLTERX-HIFRSBDPSA-N 0 3 289.398 3.222 20 30 CGEDHN C=CCOc1ccc(CN(CC)CCCO)cc1Cl ZINC000353652964 380216394 /nfs/dbraw/zinc/21/63/94/380216394.db2.gz KKYQKGBGTLYYAE-UHFFFAOYSA-N 0 3 283.799 3.109 20 30 CGEDHN CCNc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000354101840 380325614 /nfs/dbraw/zinc/32/56/14/380325614.db2.gz WTBBTEMXSBRFOE-QMMMGPOBSA-N 0 3 285.269 3.127 20 30 CGEDHN N#CC(=C([O-])c1ccc2ccccc2c1)c1ccncn1 ZINC000354459694 380448410 /nfs/dbraw/zinc/44/84/10/380448410.db2.gz FFDBXFHIERZMHA-HNNXBMFYSA-N 0 3 273.295 3.120 20 30 CGEDHN N#CC(C(=O)c1ccc2ccccc2c1)c1ccncn1 ZINC000354459694 380448416 /nfs/dbraw/zinc/44/84/16/380448416.db2.gz FFDBXFHIERZMHA-HNNXBMFYSA-N 0 3 273.295 3.120 20 30 CGEDHN C=C(C)[C@H](CO)N1CCC(c2ccc(F)cc2C)CC1 ZINC000644703264 380490439 /nfs/dbraw/zinc/49/04/39/380490439.db2.gz WUPGDWAKYPLROO-KRWDZBQOSA-N 0 3 277.383 3.251 20 30 CGEDHN COc1cc(CN2CC[C@H](CC3CC3)C2)ccc1C#N ZINC000354528684 380472678 /nfs/dbraw/zinc/47/26/78/380472678.db2.gz SJOBIQOABRZLHL-OAHLLOKOSA-N 0 3 270.376 3.189 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](CC(F)(F)F)C2)C1 ZINC000420957112 380862337 /nfs/dbraw/zinc/86/23/37/380862337.db2.gz ZEWPZOULANYTGO-GRYCIOLGSA-N 0 3 260.303 3.343 20 30 CGEDHN C[C@@H]1CCCC[C@H]1OCCNCc1ccc(C#N)c(F)c1 ZINC000421333473 380876617 /nfs/dbraw/zinc/87/66/17/380876617.db2.gz ODLKEGMTMQWBNT-CXAGYDPISA-N 0 3 290.382 3.382 20 30 CGEDHN N#Cc1csc(CN[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000357379306 381136234 /nfs/dbraw/zinc/13/62/34/381136234.db2.gz YDPLIQLJJUBHRY-DOTOQJQBSA-N 0 3 298.411 3.487 20 30 CGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000358337018 381306387 /nfs/dbraw/zinc/30/63/87/381306387.db2.gz DWKPNLCRQDCVNC-JLSDUUJJSA-N 0 3 283.419 3.104 20 30 CGEDHN C=C(C)COCCN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000358293190 381301888 /nfs/dbraw/zinc/30/18/88/381301888.db2.gz XQOBKSIKFVXMTB-OAHLLOKOSA-N 0 3 285.391 3.116 20 30 CGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000358312598 381303326 /nfs/dbraw/zinc/30/33/26/381303326.db2.gz BOYLBRDTNVVUCC-CHWSQXEVSA-N 0 3 275.396 3.442 20 30 CGEDHN COCCN(Cc1ccccc1C#N)[C@H]1CC[C@H](C)C1 ZINC000361640603 381852127 /nfs/dbraw/zinc/85/21/27/381852127.db2.gz VDMPDAIIYAFTCY-YOEHRIQHSA-N 0 3 272.392 3.195 20 30 CGEDHN CCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000365738555 382291941 /nfs/dbraw/zinc/29/19/41/382291941.db2.gz BATXFMBMRCNCPQ-CABCVRRESA-N 0 3 266.429 3.042 20 30 CGEDHN C=CCCCCCN(C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000365419841 382287420 /nfs/dbraw/zinc/28/74/20/382287420.db2.gz FZYQFEJRSFASPT-UHFFFAOYSA-N 0 3 299.422 3.055 20 30 CGEDHN CC(=O)N1CC[C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000363786172 382255927 /nfs/dbraw/zinc/25/59/27/382255927.db2.gz FIGGOWXLPMBPTD-VYDXJSESSA-N 0 3 297.402 3.156 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000335045782 207532820 /nfs/dbraw/zinc/53/28/20/207532820.db2.gz HBHHSQPPUJJJOT-GFCCVEGCSA-N 0 3 268.282 3.365 20 30 CGEDHN Cc1ccc(CN(CCN(C)C)Cc2cccc(C#N)c2)o1 ZINC000289377933 197318601 /nfs/dbraw/zinc/31/86/01/197318601.db2.gz CATQUFVICVELRS-UHFFFAOYSA-N 0 3 297.402 3.024 20 30 CGEDHN COC1CCC(CCNCc2ccc(C#N)cc2F)CC1 ZINC000350227853 219001882 /nfs/dbraw/zinc/00/18/82/219001882.db2.gz RVDZUERXSNUXGK-UHFFFAOYSA-N 0 3 290.382 3.382 20 30 CGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000347067549 533117222 /nfs/dbraw/zinc/11/72/22/533117222.db2.gz KYEDNQDPRHAZQN-ZANVPECISA-N 0 3 262.740 3.067 20 30 CGEDHN C=CCOCCN[C@H]1C[C@H](C)Sc2sccc21 ZINC000310315369 542427125 /nfs/dbraw/zinc/42/71/25/542427125.db2.gz WMHAMPMCQPHJDJ-JQWIXIFHSA-N 0 3 269.435 3.466 20 30 CGEDHN C=CCOCCN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000310315368 542427680 /nfs/dbraw/zinc/42/76/80/542427680.db2.gz WMHAMPMCQPHJDJ-CMPLNLGQSA-N 0 3 269.435 3.466 20 30 CGEDHN COCCC1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358578695 533211711 /nfs/dbraw/zinc/21/17/11/533211711.db2.gz WFQRCEDPHHTZHC-GFCCVEGCSA-N 0 3 276.355 3.165 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000353200723 542555493 /nfs/dbraw/zinc/55/54/93/542555493.db2.gz CKASZPAHHHGODP-AEFFLSMTSA-N 0 3 298.430 3.270 20 30 CGEDHN C=CCOc1ccccc1CNCCc1cccc(C)n1 ZINC000355196126 542565338 /nfs/dbraw/zinc/56/53/38/542565338.db2.gz HPINHBDOORYNCA-UHFFFAOYSA-N 0 3 282.387 3.287 20 30 CGEDHN COc1ccc2oc([C@H](C)NC(=O)C(C)C#N)c(C)c2c1 ZINC000347140418 533358431 /nfs/dbraw/zinc/35/84/31/533358431.db2.gz TTYHHCBPCQKOOC-ONGXEEELSA-N 0 3 286.331 3.087 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000189815639 130024786 /nfs/dbraw/zinc/02/47/86/130024786.db2.gz QFSIIVUJUMMIES-DOTOQJQBSA-N 0 3 274.408 3.008 20 30 CGEDHN CC(C)COc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000190864230 130155217 /nfs/dbraw/zinc/15/52/17/130155217.db2.gz ZFZVAMKZCDOOLW-UHFFFAOYSA-N 0 3 297.402 3.221 20 30 CGEDHN C[C@H](N[C@H]1CCCC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000191304171 130218824 /nfs/dbraw/zinc/21/88/24/130218824.db2.gz HNTQRXOPLDDTIB-WFASDCNBSA-N 0 3 285.391 3.054 20 30 CGEDHN C=CCc1cc(CNCC=C(C)C)cc(OC)c1O ZINC000191626782 130264682 /nfs/dbraw/zinc/26/46/82/130264682.db2.gz NFMONKIAMBFPOI-UHFFFAOYSA-N 0 3 261.365 3.185 20 30 CGEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H](C)CCOC ZINC000411181167 542629825 /nfs/dbraw/zinc/62/98/25/542629825.db2.gz UCJLACRFRRNQQG-AWEZNQCLSA-N 0 3 263.381 3.108 20 30 CGEDHN CC(C)(C)CC(C)(C)NCC(=O)Nc1sccc1C#N ZINC000053123361 392082501 /nfs/dbraw/zinc/08/25/01/392082501.db2.gz SQJOXWHQLMCVSG-UHFFFAOYSA-N 0 3 293.436 3.363 20 30 CGEDHN C=CCC[C@@H](NC[C@@]1(N(C)C)CCSC1)c1ccco1 ZINC000286190884 392379416 /nfs/dbraw/zinc/37/94/16/392379416.db2.gz RHSHRSFSRLHYDX-ZBFHGGJFSA-N 0 3 294.464 3.314 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CC[C@H](C(=O)OC)C1)c1ccco1 ZINC000286378620 392381116 /nfs/dbraw/zinc/38/11/16/392381116.db2.gz AOHIYOHWRIEEGU-MJBXVCDLSA-N 0 3 277.364 3.218 20 30 CGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(Cl)cc1 ZINC000121121023 392409429 /nfs/dbraw/zinc/40/94/29/392409429.db2.gz YCNNJNITEDDBEE-AWEZNQCLSA-N 0 3 253.773 3.099 20 30 CGEDHN COCC[C@@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000372089339 392581600 /nfs/dbraw/zinc/58/16/00/392581600.db2.gz USEKHGQLOVMDFX-HNNXBMFYSA-N 0 3 272.392 3.197 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncnc3cccc(C)c32)CC1 ZINC000301540455 392595015 /nfs/dbraw/zinc/59/50/15/392595015.db2.gz NVYQZUNGUIUZIK-UHFFFAOYSA-N 0 3 296.418 3.391 20 30 CGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(F)cc1Cl ZINC000320379472 392671062 /nfs/dbraw/zinc/67/10/62/392671062.db2.gz KSJQPWQEALDXBD-CMPLNLGQSA-N 0 3 271.763 3.457 20 30 CGEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000178526594 392680982 /nfs/dbraw/zinc/68/09/82/392680982.db2.gz WSEXWXAGHYUTTA-CQSZACIVSA-N 0 3 272.392 3.099 20 30 CGEDHN C=CCC[C@@H](C)N[C@H](CCO)c1ccccc1F ZINC000647345434 392694482 /nfs/dbraw/zinc/69/44/82/392694482.db2.gz JHHNBHXFWCLJFJ-IUODEOHRSA-N 0 3 251.345 3.194 20 30 CGEDHN COc1ccc(Br)c(CNCCCCC#N)c1 ZINC000178744491 392683711 /nfs/dbraw/zinc/68/37/11/392683711.db2.gz KWRGKUPWSUEBNM-UHFFFAOYSA-N 0 3 297.196 3.241 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNc1ccccn1)C(C)C ZINC000302990325 392623189 /nfs/dbraw/zinc/62/31/89/392623189.db2.gz WBWPWQXTPYULAQ-HNNXBMFYSA-N 0 3 259.397 3.192 20 30 CGEDHN CN(CCCC(C)(C)C#N)Cc1ccccc1[N+](=O)[O-] ZINC000174818474 392645848 /nfs/dbraw/zinc/64/58/48/392645848.db2.gz GVQKUMGOSJZIEQ-UHFFFAOYSA-N 0 3 275.352 3.357 20 30 CGEDHN C[C@H](N[C@H]1COc2ccccc2C1)c1ccc(C#N)cc1 ZINC000181622201 392735528 /nfs/dbraw/zinc/73/55/28/392735528.db2.gz CCDHDQCBAPHALJ-SUMWQHHRSA-N 0 3 278.355 3.213 20 30 CGEDHN Cc1ccc(C#N)c(N[C@@H](C)CN(C)Cc2ccccc2)n1 ZINC000180347293 392709368 /nfs/dbraw/zinc/70/93/68/392709368.db2.gz DLKCXUXCANUWMW-HNNXBMFYSA-N 0 3 294.402 3.194 20 30 CGEDHN CCOC(=O)CC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192125102 392838115 /nfs/dbraw/zinc/83/81/15/392838115.db2.gz YROGLHJKRURVME-GOSISDBHSA-N 0 3 299.414 3.093 20 30 CGEDHN N#Cc1cccc(CN2CCC=C(c3ccco3)C2)c1 ZINC000375663024 392801610 /nfs/dbraw/zinc/80/16/10/392801610.db2.gz AXDMRMVXSQZRBA-UHFFFAOYSA-N 0 3 264.328 3.441 20 30 CGEDHN C=CCOCCN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000338886233 392934357 /nfs/dbraw/zinc/93/43/57/392934357.db2.gz CVZLBFNAURPNQO-HNNXBMFYSA-N 0 3 291.391 3.043 20 30 CGEDHN C=CCOCCN1CCc2sccc2[C@H]1CC ZINC000338914379 392935842 /nfs/dbraw/zinc/93/58/42/392935842.db2.gz XUYFLGBLMCOEQZ-CYBMUJFWSA-N 0 3 251.395 3.260 20 30 CGEDHN Cc1ccc(C)c([C@@H](C)N(C)CCOCCC#N)c1 ZINC000338940214 392935857 /nfs/dbraw/zinc/93/58/57/392935857.db2.gz VRFOMQMDFAIYEB-OAHLLOKOSA-N 0 3 260.381 3.227 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(OCC3CCCC3)CC2)C1 ZINC000339013473 392942069 /nfs/dbraw/zinc/94/20/69/392942069.db2.gz HCRQGPJINJHGAJ-CVEARBPZSA-N 0 3 276.424 3.350 20 30 CGEDHN C=CCOCCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000339061456 392943104 /nfs/dbraw/zinc/94/31/04/392943104.db2.gz KSLQFMJPUSZWQO-CHWSQXEVSA-N 0 3 263.356 3.336 20 30 CGEDHN Cc1c2ccccc2oc1[C@H](C)NCCOCCC#N ZINC000339086789 392947269 /nfs/dbraw/zinc/94/72/69/392947269.db2.gz YEICLBBQQZBGRW-ZDUSSCGKSA-N 0 3 272.348 3.322 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc2ncsc2c1 ZINC000339089852 392947060 /nfs/dbraw/zinc/94/70/60/392947060.db2.gz FNUWFFQSARLBAS-LLVKDONJSA-N 0 3 262.378 3.150 20 30 CGEDHN CC1(C)CCC[C@@H]1CCNCc1nc(C#N)cs1 ZINC000527726693 392958180 /nfs/dbraw/zinc/95/81/80/392958180.db2.gz CVJHNGIWUYCKAB-LLVKDONJSA-N 0 3 263.410 3.321 20 30 CGEDHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000527996304 392962805 /nfs/dbraw/zinc/96/28/05/392962805.db2.gz DGEZXOQYTSLLGZ-XZJROXQQSA-N 0 3 276.355 3.304 20 30 CGEDHN C[C@H](CC#N)N(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412184154 392998108 /nfs/dbraw/zinc/99/81/08/392998108.db2.gz VFYIQRBOUPQWOQ-OAHLLOKOSA-N 0 3 299.418 3.047 20 30 CGEDHN COCC1(C#N)CCN(C[C@H](C)c2ccc(F)cc2)CC1 ZINC000342843410 393010797 /nfs/dbraw/zinc/01/07/97/393010797.db2.gz RCJAMOCDJHLVLU-AWEZNQCLSA-N 0 3 290.382 3.181 20 30 CGEDHN Cc1ccc2nccc(NCC(C)(C)CC#N)c2c1 ZINC000413416488 393024361 /nfs/dbraw/zinc/02/43/61/393024361.db2.gz XOVJVNQKFQCDNS-UHFFFAOYSA-N 0 3 253.349 3.317 20 30 CGEDHN N#CC1(F)CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348712675 393129286 /nfs/dbraw/zinc/12/92/86/393129286.db2.gz ITNZFWREUVAEPM-GJZGRUSLSA-N 0 3 258.340 3.118 20 30 CGEDHN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000264409231 393160571 /nfs/dbraw/zinc/16/05/71/393160571.db2.gz GESSBSLVKDSMFG-IBGZPJMESA-N 0 3 294.398 3.331 20 30 CGEDHN CC1(C)C[C@H](N[C@@H](CCC#N)c2ccccc2)CO1 ZINC000417948760 393357946 /nfs/dbraw/zinc/35/79/46/393357946.db2.gz JIAUIGFQOQDOMP-GJZGRUSLSA-N 0 3 258.365 3.189 20 30 CGEDHN CC(C)CN(C(=O)C(C)C#N)[C@H]1CCCc2cccnc21 ZINC000358933996 393529505 /nfs/dbraw/zinc/52/95/05/393529505.db2.gz MDKIOJYAKIBRSR-ZFWWWQNUSA-N 0 3 285.391 3.103 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(Cc2cccc(O)c2)CC1 ZINC000359516323 393550125 /nfs/dbraw/zinc/55/01/25/393550125.db2.gz QPQDIYFBSQIBDQ-MRXNPFEDSA-N 0 3 288.435 3.255 20 30 CGEDHN C=CCCC[C@@H](C)N1CCN(c2nc(C)cs2)CC1 ZINC000359513463 393550364 /nfs/dbraw/zinc/55/03/64/393550364.db2.gz GUERVYQMZDZDSN-CQSZACIVSA-N 0 3 279.453 3.318 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359541947 393550631 /nfs/dbraw/zinc/55/06/31/393550631.db2.gz DZNAVPWDECDULU-BQFCYCMXSA-N 0 3 290.451 3.088 20 30 CGEDHN C=CCCCN[C@@H](CCO)c1ccccc1Br ZINC000359536179 393550864 /nfs/dbraw/zinc/55/08/64/393550864.db2.gz JUYMARDPHAPTJX-AWEZNQCLSA-N 0 3 298.224 3.428 20 30 CGEDHN Cc1ccc(CNCCSCc2ccccc2C#N)cn1 ZINC000360716433 393576037 /nfs/dbraw/zinc/57/60/37/393576037.db2.gz PILIONYZOOHIDT-UHFFFAOYSA-N 0 3 297.427 3.285 20 30 CGEDHN COc1cc(CN2CCC(C)=C(C)C2)ccc1C#N ZINC000443073755 393742501 /nfs/dbraw/zinc/74/25/01/393742501.db2.gz WSBKHMJARRXLSN-UHFFFAOYSA-N 0 3 256.349 3.109 20 30 CGEDHN COc1cc(CNCc2ccc(C#N)c(C)c2)ccc1C ZINC000443972671 393779250 /nfs/dbraw/zinc/77/92/50/393779250.db2.gz NFNAXHJKWZDHBF-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN COCc1cc(CNCc2ccc(C#N)c(C)c2)ccc1F ZINC000443975029 393779731 /nfs/dbraw/zinc/77/97/31/393779731.db2.gz XVKSZQOGUQJXAC-UHFFFAOYSA-N 0 3 298.361 3.442 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCC(C(C)C)CC1 ZINC000501210656 393848312 /nfs/dbraw/zinc/84/83/12/393848312.db2.gz SMUVRJRODREADW-UHFFFAOYSA-N 0 3 272.392 3.435 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C12CCC2 ZINC000449629694 393927725 /nfs/dbraw/zinc/92/77/25/393927725.db2.gz GCEKEBLFTTWOTB-KGLIPLIRSA-N 0 3 276.405 3.009 20 30 CGEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000449634388 393929299 /nfs/dbraw/zinc/92/92/99/393929299.db2.gz RCHZXOIHOXHYKK-SJORKVTESA-N 0 3 284.403 3.256 20 30 CGEDHN C=C(C)CN(CC)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667473259 542872566 /nfs/dbraw/zinc/87/25/66/542872566.db2.gz DPAGKTCHHIMMAW-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN CCO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000451551796 394045733 /nfs/dbraw/zinc/04/57/33/394045733.db2.gz XYQWVKBYMIYFPS-JKIFEVAISA-N 0 3 272.392 3.366 20 30 CGEDHN C=CCN(CC=C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667472433 542873390 /nfs/dbraw/zinc/87/33/90/542873390.db2.gz HUSNHSQXJHGVQM-HNNXBMFYSA-N 0 3 275.392 3.274 20 30 CGEDHN CCCCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000078774947 135002355 /nfs/dbraw/zinc/00/23/55/135002355.db2.gz ZBFZHEKEGDSIRU-UHFFFAOYSA-N 0 3 275.371 3.010 20 30 CGEDHN C#CCCN1CCC(NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC000743492596 572666477 /nfs/dbraw/zinc/66/64/77/572666477.db2.gz WSMCJZJNZWIBFV-HNNXBMFYSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@H]1C ZINC000488303452 397707283 /nfs/dbraw/zinc/70/72/83/397707283.db2.gz UUXDQXATBMWOPR-TZMCWYRMSA-N 0 3 260.337 3.239 20 30 CGEDHN COCC#CCN(C)Cc1ccccc1-c1ccccc1 ZINC000677477965 543450512 /nfs/dbraw/zinc/45/05/12/543450512.db2.gz HDMLTODLAVZJNA-UHFFFAOYSA-N 0 3 279.383 3.435 20 30 CGEDHN CC(C#N)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000334834475 289235356 /nfs/dbraw/zinc/23/53/56/289235356.db2.gz NXDCDMNYTRSETQ-MRVPVSSYSA-N 0 3 283.158 3.038 20 30 CGEDHN C=CCCC[C@H](C)N(C)CC(=O)N(C)C1CCCCC1 ZINC000678714810 543550014 /nfs/dbraw/zinc/55/00/14/543550014.db2.gz QOKDKQPVPVZHAP-HNNXBMFYSA-N 0 3 280.456 3.454 20 30 CGEDHN COCC#CCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000678893742 543569734 /nfs/dbraw/zinc/56/97/34/543569734.db2.gz RUKKWZWMGQFFKX-HNNXBMFYSA-N 0 3 263.768 3.031 20 30 CGEDHN N#Cc1ccc(CNCCCc2ccccc2)c(F)c1 ZINC000037491206 286885419 /nfs/dbraw/zinc/88/54/19/286885419.db2.gz SJGZOFBSNDGZHG-UHFFFAOYSA-N 0 3 268.335 3.420 20 30 CGEDHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000503853498 287058445 /nfs/dbraw/zinc/05/84/45/287058445.db2.gz DNTCUEULWMZULF-LERXQTSPSA-N 0 3 280.318 3.369 20 30 CGEDHN N#Cc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1 ZINC000073870139 165085143 /nfs/dbraw/zinc/08/51/43/165085143.db2.gz KCAGLIHWPSNYCM-UHFFFAOYSA-N 0 3 288.354 3.238 20 30 CGEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)cc2)CCS1 ZINC000076065712 165110071 /nfs/dbraw/zinc/11/00/71/165110071.db2.gz VZWKYUMKFIMLFA-OAHLLOKOSA-N 0 3 260.406 3.132 20 30 CGEDHN COCCN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000077408908 165119224 /nfs/dbraw/zinc/11/92/24/165119224.db2.gz WXIZVPYRWSRBSR-UHFFFAOYSA-N 0 3 280.371 3.303 20 30 CGEDHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000007379289 170280992 /nfs/dbraw/zinc/28/09/92/170280992.db2.gz MINJWYRQLDDQJK-KBPBESRZSA-N 0 3 293.370 3.236 20 30 CGEDHN CN(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000020260963 171118361 /nfs/dbraw/zinc/11/83/61/171118361.db2.gz DQNMKYOAIYBFCM-UHFFFAOYSA-N 0 3 293.370 3.019 20 30 CGEDHN N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000020362104 171161132 /nfs/dbraw/zinc/16/11/32/171161132.db2.gz LCTCZZIBNQAVJC-SFHVURJKSA-N 0 3 277.371 3.245 20 30 CGEDHN N#Cc1ccnc(NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000285578351 196333541 /nfs/dbraw/zinc/33/35/41/196333541.db2.gz KJVQYJKFCCNYNY-CQSZACIVSA-N 0 3 298.415 3.264 20 30 CGEDHN C=C[C@H]1CCCCN1CCOCc1ccc(OC)cc1 ZINC000683793093 543943012 /nfs/dbraw/zinc/94/30/12/543943012.db2.gz PGQBMPDDCUZDJV-INIZCTEOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2c(s1)CCCC2 ZINC000684767448 544028023 /nfs/dbraw/zinc/02/80/23/544028023.db2.gz KJFMESUNMGVDBX-LRDDRELGSA-N 0 3 292.448 3.093 20 30 CGEDHN Cc1cc(C)cc(C2=CCN(C(=O)C(C)C#N)CC2)c1 ZINC000334142280 227331901 /nfs/dbraw/zinc/33/19/01/227331901.db2.gz MXDRRHQBVRCUQP-CQSZACIVSA-N 0 3 268.360 3.079 20 30 CGEDHN C=CCCCCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654666957 418994502 /nfs/dbraw/zinc/99/45/02/418994502.db2.gz IAFJLHLORJBQLV-HZPDHXFCSA-N 0 3 293.455 3.049 20 30 CGEDHN C=CCN(CCO[C@H]1CC1(F)F)Cc1ccccc1 ZINC000659824122 419001370 /nfs/dbraw/zinc/00/13/70/419001370.db2.gz ZHUWUJHSNAMWTH-AWEZNQCLSA-N 0 3 267.319 3.099 20 30 CGEDHN C=CCN(CCc1ccco1)C[C@H](OC)C1CCC1 ZINC000660226507 419105246 /nfs/dbraw/zinc/10/52/46/419105246.db2.gz XTWWDMOCSOGCAY-INIZCTEOSA-N 0 3 263.381 3.125 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@@H]2CC2CCCC2)nn1 ZINC000653892296 419105328 /nfs/dbraw/zinc/10/53/28/419105328.db2.gz FVFNQRDYFHQQPT-QGZVFWFLSA-N 0 3 288.439 3.399 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@@H]2C(C)C)nn1 ZINC000653615334 419061119 /nfs/dbraw/zinc/06/11/19/419061119.db2.gz CPRPECQXZGQCBY-HZPDHXFCSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCCn1cc(CNCCCC2CCCCC2)nn1 ZINC000657310458 419247585 /nfs/dbraw/zinc/24/75/85/419247585.db2.gz YIDYJWCXWPSFLP-UHFFFAOYSA-N 0 3 276.428 3.304 20 30 CGEDHN C=CCCn1cc(CNC[C@H](C)C2CCCCC2)nn1 ZINC000657332833 419252734 /nfs/dbraw/zinc/25/27/34/419252734.db2.gz QVWZSOGOTNVAKT-AWEZNQCLSA-N 0 3 276.428 3.160 20 30 CGEDHN C=CCN(Cc1cnc2ccccc2n1)C(C)(C)C ZINC000661758036 419296005 /nfs/dbraw/zinc/29/60/05/419296005.db2.gz OWSWICCTKLLOQP-UHFFFAOYSA-N 0 3 255.365 3.416 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(C2CCC2)nn1 ZINC000657530048 419299900 /nfs/dbraw/zinc/29/99/00/419299900.db2.gz LWTVPRZCOTUJMH-CJNGLKHVSA-N 0 3 274.412 3.228 20 30 CGEDHN C=CCC1(NCc2ncnn2C(C)(C)C)CCCC1 ZINC000661850191 419304975 /nfs/dbraw/zinc/30/49/75/419304975.db2.gz FIVKKVWNHVVRHR-UHFFFAOYSA-N 0 3 262.401 3.012 20 30 CGEDHN C=CCC1(NCc2cc3n(n2)CCCC3)CCCC1 ZINC000657703117 419330030 /nfs/dbraw/zinc/33/00/30/419330030.db2.gz TZUFLGAMWXDMND-UHFFFAOYSA-N 0 3 259.397 3.198 20 30 CGEDHN C=CCOCCCNCc1ccc(Cl)cc1F ZINC000657658052 419320825 /nfs/dbraw/zinc/32/08/25/419320825.db2.gz KLWVQPIONIJQPS-UHFFFAOYSA-N 0 3 257.736 3.161 20 30 CGEDHN C=CCOCCCNCc1cc(F)ccc1OC(F)F ZINC000657659157 419321372 /nfs/dbraw/zinc/32/13/72/419321372.db2.gz PLWZXGHTPOMAHR-UHFFFAOYSA-N 0 3 289.297 3.109 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@H]1COc2ccccc2O1 ZINC000662082988 419333348 /nfs/dbraw/zinc/33/33/48/419333348.db2.gz ZBCSJBDZHNOUIL-ZNMIVQPWSA-N 0 3 271.360 3.009 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000336052335 228182609 /nfs/dbraw/zinc/18/26/09/228182609.db2.gz DUZJLJYSSNQQOF-MWLCHTKSSA-N 0 3 252.720 3.261 20 30 CGEDHN C=CCOc1cccc(CN[C@H](c2ccccc2)[C@H](C)O)c1 ZINC000657814002 419365919 /nfs/dbraw/zinc/36/59/19/419365919.db2.gz CBUZAWZZDRBJPJ-KXBFYZLASA-N 0 3 297.398 3.463 20 30 CGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nncn1-c1ccccc1 ZINC000657835371 419379282 /nfs/dbraw/zinc/37/92/82/419379282.db2.gz PQJRGASWOVXQHZ-RDJZCZTQSA-N 0 3 296.418 3.492 20 30 CGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncnn1C(C)(C)C ZINC000658004606 419487909 /nfs/dbraw/zinc/48/79/09/419487909.db2.gz RCWHEMLURSDXJG-KGLIPLIRSA-N 0 3 276.428 3.258 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1csc(N(C)C)n1 ZINC000657899060 419424895 /nfs/dbraw/zinc/42/48/95/419424895.db2.gz UPIZSUHSXWIXCJ-TZMCWYRMSA-N 0 3 279.453 3.434 20 30 CGEDHN C=CCCCC[C@@H](C)NCc1nccc(OC)c1F ZINC000658225073 419682639 /nfs/dbraw/zinc/68/26/39/419682639.db2.gz ROGJXJCSKMRIQD-GFCCVEGCSA-N 0 3 266.360 3.454 20 30 CGEDHN C=CCC[C@@H](CCC)NCc1nccc(OC)c1F ZINC000658228448 419684422 /nfs/dbraw/zinc/68/44/22/419684422.db2.gz RZGRVGDUGFNHRO-GFCCVEGCSA-N 0 3 266.360 3.454 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000658207053 419658030 /nfs/dbraw/zinc/65/80/30/419658030.db2.gz RWIZIYBMKFTANW-CYBMUJFWSA-N 0 3 279.428 3.190 20 30 CGEDHN C=CCOCCCN[C@H](C)c1nc(C)sc1C ZINC000658210871 419660419 /nfs/dbraw/zinc/66/04/19/419660419.db2.gz XUOCILPNTPYFMM-SNVBAGLBSA-N 0 3 254.399 3.003 20 30 CGEDHN C=CCOCCCN[C@H](CC)c1ccccc1F ZINC000658209971 419660591 /nfs/dbraw/zinc/66/05/91/419660591.db2.gz MBJIEWKPEPGBPJ-OAHLLOKOSA-N 0 3 251.345 3.459 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCN(CCC)C1)c1ccco1 ZINC000658287536 419739070 /nfs/dbraw/zinc/73/90/70/419739070.db2.gz ZZYFBNJOHIKGCM-CABCVRRESA-N 0 3 262.397 3.361 20 30 CGEDHN C=CCCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000117870601 260117288 /nfs/dbraw/zinc/11/72/88/260117288.db2.gz DPWAEXMMRWBZMJ-DHZHZOJOSA-N 0 3 270.420 3.284 20 30 CGEDHN CC[C@@H]1C[C@@H](CN(CCC#N)CCC(C)C)CCO1 ZINC000356999567 260122406 /nfs/dbraw/zinc/12/24/06/260122406.db2.gz VFABCIKQQNPOHX-JKSUJKDBSA-N 0 3 266.429 3.453 20 30 CGEDHN C=CCOc1ccccc1CN[C@H](COC)C(C)C ZINC000086695713 260209439 /nfs/dbraw/zinc/20/94/39/260209439.db2.gz FCDMUOPEJAMLDH-OAHLLOKOSA-N 0 3 263.381 3.012 20 30 CGEDHN N#CC1(c2ccccc2)CC(NCc2cccc(O)c2)C1 ZINC000126574393 260353814 /nfs/dbraw/zinc/35/38/14/260353814.db2.gz IAAVTRBBLZYFFI-UHFFFAOYSA-N 0 3 278.355 3.106 20 30 CGEDHN C=C(C)COCCN[C@@H](C)c1cc(C)ccc1OC ZINC000090451283 260359461 /nfs/dbraw/zinc/35/94/61/260359461.db2.gz ATVDOEVNSZSWGO-AWEZNQCLSA-N 0 3 263.381 3.247 20 30 CGEDHN C=C[C@@H](C)NCc1ccc(OC)c(Br)c1 ZINC000130466553 260396744 /nfs/dbraw/zinc/39/67/44/260396744.db2.gz ADRSUJOKZPHUIN-SECBINFHSA-N 0 3 270.170 3.122 20 30 CGEDHN C=CCN(CCc1ccccc1)Cc1ccccn1 ZINC000104948833 261305140 /nfs/dbraw/zinc/30/51/40/261305140.db2.gz PKQACPJNBSNVJZ-UHFFFAOYSA-N 0 3 252.361 3.312 20 30 CGEDHN Cc1ncc(CN(C)CC(C)(C)CCC#N)s1 ZINC000179384355 261782443 /nfs/dbraw/zinc/78/24/43/261782443.db2.gz TWRLZNFPEIAVIC-UHFFFAOYSA-N 0 3 251.399 3.213 20 30 CGEDHN COCc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185780507 262070582 /nfs/dbraw/zinc/07/05/82/262070582.db2.gz MGVOSLSZQCQSJE-CZUORRHYSA-N 0 3 258.365 3.005 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000192593809 262206105 /nfs/dbraw/zinc/20/61/05/262206105.db2.gz JWWHNDJOQMGUIT-XHSDSOJGSA-N 0 3 287.407 3.088 20 30 CGEDHN C=CCCOCCNCc1ccc(C(F)(F)F)cc1 ZINC000120833264 262237049 /nfs/dbraw/zinc/23/70/49/262237049.db2.gz PCVBCDKZBOJIAK-UHFFFAOYSA-N 0 3 273.298 3.388 20 30 CGEDHN COc1ccc(F)cc1[C@H](C)NCCC(C)(C)C#N ZINC000272073965 263001900 /nfs/dbraw/zinc/00/19/00/263001900.db2.gz ZXOFWVLTJZGJOH-NSHDSACASA-N 0 3 264.344 3.425 20 30 CGEDHN N#CCCCNCc1cccc(OCC(F)(F)F)c1 ZINC000273006487 263010825 /nfs/dbraw/zinc/01/08/25/263010825.db2.gz BAEQHUXXJFIDMX-UHFFFAOYSA-N 0 3 272.270 3.021 20 30 CGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000274583145 263026971 /nfs/dbraw/zinc/02/69/71/263026971.db2.gz CUOZPXUJKTUZKF-CFVMTHIKSA-N 0 3 288.391 3.437 20 30 CGEDHN N#Cc1cccc(C2(N[C@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000278712521 263049812 /nfs/dbraw/zinc/04/98/12/263049812.db2.gz LQFLXXLNLMJEKF-ZBFHGGJFSA-N 0 3 265.360 3.219 20 30 CGEDHN CC[C@H](C)CN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280315291 263060346 /nfs/dbraw/zinc/06/03/46/263060346.db2.gz GIMNZSWMAWTGCA-YOEHRIQHSA-N 0 3 297.402 3.135 20 30 CGEDHN N#CC1CCC(CNCc2ccc(Br)o2)CC1 ZINC000281791883 263071816 /nfs/dbraw/zinc/07/18/16/263071816.db2.gz UOADKTADCLOCIE-UHFFFAOYSA-N 0 3 297.196 3.462 20 30 CGEDHN CN(C)C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000286982353 263100333 /nfs/dbraw/zinc/10/03/33/263100333.db2.gz JBQHBUASJLNAPC-XYPHTWIQSA-N 0 3 289.398 3.100 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1OCCc2sccc21 ZINC000291893558 263126297 /nfs/dbraw/zinc/12/62/97/263126297.db2.gz KVRKRDJRCRZEIM-BCUIYNNISA-N 0 3 290.432 3.422 20 30 CGEDHN CC[C@@H]1CCN1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000292713950 263134282 /nfs/dbraw/zinc/13/42/82/263134282.db2.gz DNLIFJMRHYOCHM-QGZVFWFLSA-N 0 3 294.402 3.448 20 30 CGEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCOCCC#N)o1 ZINC000292925901 263136654 /nfs/dbraw/zinc/13/66/54/263136654.db2.gz YNLUZVGMEIXUKL-ZFWWWQNUSA-N 0 3 276.380 3.291 20 30 CGEDHN CC1(C)CN([C@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000293817656 263150289 /nfs/dbraw/zinc/15/02/89/263150289.db2.gz OUHAEUKWJBGAHG-HIFRSBDPSA-N 0 3 254.377 3.472 20 30 CGEDHN N#CCCCN[C@H]1CCc2c1ccc(F)c2Br ZINC000295426678 263177383 /nfs/dbraw/zinc/17/73/83/263177383.db2.gz OIIXKXDPPCJIIX-LBPRGKRZSA-N 0 3 297.171 3.469 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000298175980 263215581 /nfs/dbraw/zinc/21/55/81/263215581.db2.gz RBNIAESAFOXVLQ-AWEZNQCLSA-N 0 3 283.375 3.094 20 30 CGEDHN C[C@@H](CCC#N)N1CCC(COc2ccccc2)CC1 ZINC000298321785 263217719 /nfs/dbraw/zinc/21/77/19/263217719.db2.gz ZFVGSBSKOSNTKR-HNNXBMFYSA-N 0 3 272.392 3.470 20 30 CGEDHN C[C@@H](CCC#N)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000298553577 263222132 /nfs/dbraw/zinc/22/21/32/263222132.db2.gz YWZSLVWQGQGSBZ-SWLSCSKDSA-N 0 3 278.783 3.485 20 30 CGEDHN Cc1ccc([C@@H](C/N=C/c2cccc(O)c2O)N(C)C)cc1 ZINC000299315781 263238916 /nfs/dbraw/zinc/23/89/16/263238916.db2.gz WVKBLYYHJAFCSS-YDDPGSGASA-N 0 3 298.386 3.128 20 30 CGEDHN C=CCCCN[C@@H](CCSC)c1nnc2ccccn21 ZINC000119985816 263281100 /nfs/dbraw/zinc/28/11/00/263281100.db2.gz WVSOLAPUEUNGFA-ZDUSSCGKSA-N 0 3 290.436 3.079 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(C)C ZINC000340678949 263285580 /nfs/dbraw/zinc/28/55/80/263285580.db2.gz ZMHNIIWEYMISIB-CQSZACIVSA-N 0 3 294.464 3.239 20 30 CGEDHN COCC1(C#N)CCN(CCCCc2ccccc2)CC1 ZINC000341988919 263381047 /nfs/dbraw/zinc/38/10/47/263381047.db2.gz KJLXLBAKVUVHFV-UHFFFAOYSA-N 0 3 286.419 3.261 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000334319940 263576341 /nfs/dbraw/zinc/57/63/41/263576341.db2.gz VCQCGELUSQVODH-VXNVDRBHSA-N 0 3 268.769 3.055 20 30 CGEDHN Cn1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000126330301 264210299 /nfs/dbraw/zinc/21/02/99/264210299.db2.gz MDBKMSJGBBWWIL-UHFFFAOYSA-N 0 3 292.304 3.185 20 30 CGEDHN C=CCCCN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000076937307 264350613 /nfs/dbraw/zinc/35/06/13/264350613.db2.gz NERQVFAXNRQWOD-UHFFFAOYSA-N 0 3 275.396 3.178 20 30 CGEDHN Cc1nc2ccccc2nc1CN1CCC(CCC#N)CC1 ZINC000518972286 265263917 /nfs/dbraw/zinc/26/39/17/265263917.db2.gz YOTYMOYKHQWGJR-UHFFFAOYSA-N 0 3 294.402 3.454 20 30 CGEDHN C=C(CC)CN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000358503612 266469961 /nfs/dbraw/zinc/46/99/61/266469961.db2.gz ZJVIIZGZLBHDCP-UHFFFAOYSA-N 0 3 290.407 3.057 20 30 CGEDHN C=CCN(CCC(=O)NCCCC)Cc1cccs1 ZINC000116270652 267136635 /nfs/dbraw/zinc/13/66/35/267136635.db2.gz RBLIGRPYTLYEBP-UHFFFAOYSA-N 0 3 280.437 3.043 20 30 CGEDHN C=CCN1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368074008 267144811 /nfs/dbraw/zinc/14/48/11/267144811.db2.gz NBCQGBQVVROYFD-HNNXBMFYSA-N 0 3 294.439 3.141 20 30 CGEDHN Fc1ccc(C#CCN2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000368485901 267176629 /nfs/dbraw/zinc/17/66/29/267176629.db2.gz LDHKGRVWJGMQFX-SFHVURJKSA-N 0 3 294.373 3.137 20 30 CGEDHN C#C[C@@H](C)NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000368590225 267188923 /nfs/dbraw/zinc/18/89/23/267188923.db2.gz CPMVSCBXLVQUCM-SNVBAGLBSA-N 0 3 293.292 3.207 20 30 CGEDHN COc1ccc(C[C@@H]2CCCN(CCCC#N)C2)cc1 ZINC000369620160 267256151 /nfs/dbraw/zinc/25/61/51/267256151.db2.gz VVUIUVBGFPDDTR-INIZCTEOSA-N 0 3 272.392 3.253 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530360756 267315028 /nfs/dbraw/zinc/31/50/28/267315028.db2.gz HZPGQUMVPRYUJY-KRWDZBQOSA-N 0 3 284.403 3.482 20 30 CGEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000370494602 267323927 /nfs/dbraw/zinc/32/39/27/267323927.db2.gz HAIJCDUOAKCNQF-XJKSGUPXSA-N 0 3 281.346 3.429 20 30 CGEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000120108671 267381277 /nfs/dbraw/zinc/38/12/77/267381277.db2.gz ORXQJYIZYZGZHR-LSDHHAIUSA-N 0 3 266.429 3.064 20 30 CGEDHN N#Cc1ccc(CN(CCc2ccccn2)C2CC2)cc1 ZINC000194968022 268063762 /nfs/dbraw/zinc/06/37/62/268063762.db2.gz KTHJMDQQHMHTRE-UHFFFAOYSA-N 0 3 277.371 3.160 20 30 CGEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000294916897 277820377 /nfs/dbraw/zinc/82/03/77/277820377.db2.gz GFYBIGLYFJAOAU-UKRRQHHQSA-N 0 3 274.408 3.006 20 30 CGEDHN C=CC[C@@H](CO)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000186707931 277881195 /nfs/dbraw/zinc/88/11/95/277881195.db2.gz XMFCPKBOJOXURY-NHCYSSNCSA-N 0 3 269.435 3.200 20 30 CGEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000336328206 278383294 /nfs/dbraw/zinc/38/32/94/278383294.db2.gz SXLPERASBPAMKZ-BZNIZROVSA-N 0 3 266.348 3.010 20 30 CGEDHN CCc1nc(CCNCc2ccc(C#N)c(C)c2)cs1 ZINC000443974350 288070632 /nfs/dbraw/zinc/07/06/32/288070632.db2.gz TXUPCRXECGOFRF-UHFFFAOYSA-N 0 3 285.416 3.218 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000337532289 279537112 /nfs/dbraw/zinc/53/71/12/279537112.db2.gz DNTCUEULWMZULF-LEWSCRJBSA-N 0 3 280.318 3.369 20 30 CGEDHN C[C@H]1CCCC[C@H]1CCNCc1nc(C#N)cs1 ZINC000352834494 279657045 /nfs/dbraw/zinc/65/70/45/279657045.db2.gz ISIYRAPUABVOEF-RYUDHWBXSA-N 0 3 263.410 3.321 20 30 CGEDHN Cc1nc(C)c(CN[C@H]2CCc3ccc(C#N)cc32)s1 ZINC000336444325 281870676 /nfs/dbraw/zinc/87/06/76/281870676.db2.gz BWTIGTLUZZDDRO-HNNXBMFYSA-N 0 3 283.400 3.409 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000271930937 289992311 /nfs/dbraw/zinc/99/23/11/289992311.db2.gz IEEIDXAPVXSRTH-XEZPLFJOSA-N 0 3 258.365 3.166 20 30 CGEDHN COc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1C ZINC000185812466 327846187 /nfs/dbraw/zinc/84/61/87/327846187.db2.gz KTGURZIDKCOUCD-ZFWWWQNUSA-N 0 3 258.365 3.176 20 30 CGEDHN COc1cc(C)cc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185866693 327848712 /nfs/dbraw/zinc/84/87/12/327848712.db2.gz PWHLJGGYQWKLRW-HIFRSBDPSA-N 0 3 258.365 3.176 20 30 CGEDHN C=CCCCCCNCc1cn2cc(C)ccc2n1 ZINC000563418395 328063425 /nfs/dbraw/zinc/06/34/25/328063425.db2.gz OYOBSIXPXODBLG-UHFFFAOYSA-N 0 3 257.381 3.479 20 30 CGEDHN C=CCCCCCNC(=O)Nc1cccc(CNC)c1 ZINC000563421913 328063837 /nfs/dbraw/zinc/06/38/37/328063837.db2.gz XSHDBSHTJSFQPT-UHFFFAOYSA-N 0 3 275.396 3.274 20 30 CGEDHN C=CCN1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412084341 328103226 /nfs/dbraw/zinc/10/32/26/328103226.db2.gz YUPMRBOQEGTRQJ-CYBMUJFWSA-N 0 3 253.386 3.006 20 30 CGEDHN CC[C@H](CC#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412253372 328106888 /nfs/dbraw/zinc/10/68/88/328106888.db2.gz RIHHVFPNAXGASY-QGZVFWFLSA-N 0 3 299.418 3.095 20 30 CGEDHN C=CCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000571578682 328135105 /nfs/dbraw/zinc/13/51/05/328135105.db2.gz VMHZQYWYRYXUDV-QGZVFWFLSA-N 0 3 295.386 3.103 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC000414468639 328183578 /nfs/dbraw/zinc/18/35/78/328183578.db2.gz KUAAPEKKULODCR-JQWIXIFHSA-N 0 3 294.301 3.180 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000277343382 328221059 /nfs/dbraw/zinc/22/10/59/328221059.db2.gz LPRMEDSXGZPGNR-CFGDFPMOSA-N 0 3 290.407 3.082 20 30 CGEDHN COCCN(CCCCC(C)(C)C#N)Cc1ccco1 ZINC000278197348 328224528 /nfs/dbraw/zinc/22/45/28/328224528.db2.gz RYRYXHBQJGVANR-UHFFFAOYSA-N 0 3 278.396 3.448 20 30 CGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000282226315 328241758 /nfs/dbraw/zinc/24/17/58/328241758.db2.gz IHLZLTFBRBGHJR-MEYUZBJRSA-N 0 3 290.794 3.452 20 30 CGEDHN C[C@@H]1CSC[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000295606508 328286287 /nfs/dbraw/zinc/28/62/87/328286287.db2.gz GCDWZRZHFJNWAM-VHDGCEQUSA-N 0 3 260.406 3.373 20 30 CGEDHN N#Cc1c(NCCN2CCCC2)cccc1C(F)F ZINC000563820882 322011925 /nfs/dbraw/zinc/01/19/25/322011925.db2.gz LOHXLVXGWNEGRM-UHFFFAOYSA-N 0 3 265.307 3.004 20 30 CGEDHN N#Cc1ccc(CN(C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000566302518 322114749 /nfs/dbraw/zinc/11/47/49/322114749.db2.gz ZICLROZOAFFPJD-UHFFFAOYSA-N 0 3 285.347 3.373 20 30 CGEDHN C[C@@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566681296 322134149 /nfs/dbraw/zinc/13/41/49/322134149.db2.gz GVBIHPJRGQDYBS-LLVKDONJSA-N 0 3 273.336 3.229 20 30 CGEDHN N#Cc1cccc(NC(=O)CN2CC[C@H](C3CCCC3)C2)c1 ZINC000567460924 322164162 /nfs/dbraw/zinc/16/41/62/322164162.db2.gz FKHCSFLWSLFOPN-INIZCTEOSA-N 0 3 297.402 3.009 20 30 CGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000341443235 328408697 /nfs/dbraw/zinc/40/86/97/328408697.db2.gz VBNPWBKRWWOZNV-BFHYXJOUSA-N 0 3 276.428 3.256 20 30 CGEDHN C#C[C@@H](NCc1c(C)nn(-c2ccccn2)c1C)C(C)(C)C ZINC000290234136 328530174 /nfs/dbraw/zinc/53/01/74/328530174.db2.gz TXUJAHJUDORDJV-MRXNPFEDSA-N 0 3 296.418 3.022 20 30 CGEDHN C=C1CCN(CCN2CCCc3ccccc32)CC1 ZINC000535582021 328594762 /nfs/dbraw/zinc/59/47/62/328594762.db2.gz CWOMUKSKVMIDNL-UHFFFAOYSA-N 0 3 256.393 3.091 20 30 CGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@H]1C ZINC000584199491 327063115 /nfs/dbraw/zinc/06/31/15/327063115.db2.gz JZVDVYWDLGHVSG-HOCLYGCPSA-N 0 3 261.413 3.498 20 30 CGEDHN Cc1ccc([C@@H](C/N=C/c2ccccc2O)N(C)C)cc1 ZINC000067005664 327085164 /nfs/dbraw/zinc/08/51/64/327085164.db2.gz SQDDNGSLKWDKRV-MIQLPHMESA-N 0 3 282.387 3.422 20 30 CGEDHN C=CC[C@@H](CO)CNCc1cc2ccccc2cc1OC ZINC000449208420 327131538 /nfs/dbraw/zinc/13/15/38/327131538.db2.gz SLMKCOJZPKQEKD-CQSZACIVSA-N 0 3 285.387 3.123 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000107070120 327247427 /nfs/dbraw/zinc/24/74/27/327247427.db2.gz JXKGFJCWNNXGRW-LSDHHAIUSA-N 0 3 299.418 3.068 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000358319217 328881963 /nfs/dbraw/zinc/88/19/63/328881963.db2.gz NVGKAVWAFJLCAG-KGLIPLIRSA-N 0 3 285.391 3.224 20 30 CGEDHN C=CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169087693 329063767 /nfs/dbraw/zinc/06/37/67/329063767.db2.gz LMETVINXDLMDHY-SECBINFHSA-N 0 3 255.745 3.108 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(OC(F)F)c2)C1 ZINC000185822499 329330015 /nfs/dbraw/zinc/33/00/15/329330015.db2.gz WGEFERTYHRBORK-WCQYABFASA-N 0 3 280.318 3.460 20 30 CGEDHN C=C(C)[C@H](N[C@@H](C)COC)c1ccc(F)c(F)c1 ZINC000186452891 329342682 /nfs/dbraw/zinc/34/26/82/329342682.db2.gz JYSGJUZKYZKOGM-HZMBPMFUSA-N 0 3 255.308 3.207 20 30 CGEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(C3CC3)cc2)C1=O ZINC000419329427 329721448 /nfs/dbraw/zinc/72/14/48/329721448.db2.gz FFNHOVVVAWOBPC-GUYCJALGSA-N 0 3 284.403 3.002 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000253354704 329962503 /nfs/dbraw/zinc/96/25/03/329962503.db2.gz HYRGRWHNNRWQQM-KYOSRNDESA-N 0 3 274.339 3.321 20 30 CGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000253354707 329962510 /nfs/dbraw/zinc/96/25/10/329962510.db2.gz HYRGRWHNNRWQQM-ZLDLUXBVSA-N 0 3 274.339 3.321 20 30 CGEDHN C[C@H](C#N)CN[C@@H](C)Cc1ccc(Br)cc1 ZINC000191479479 330144459 /nfs/dbraw/zinc/14/44/59/330144459.db2.gz SXYXUTUYDIWCEI-MNOVXSKESA-N 0 3 281.197 3.129 20 30 CGEDHN CSc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424114104 330242865 /nfs/dbraw/zinc/24/28/65/330242865.db2.gz PQVARKPZRGSNSY-LLVKDONJSA-N 0 3 297.811 3.022 20 30 CGEDHN C=CCN(CCc1ccco1)Cc1ccnc(C)c1 ZINC000527537371 330264053 /nfs/dbraw/zinc/26/40/53/330264053.db2.gz BMUIXFPDWRUMAS-UHFFFAOYSA-N 0 3 256.349 3.214 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)ccc(F)c1Cl ZINC000527722018 330277363 /nfs/dbraw/zinc/27/73/63/330277363.db2.gz SWAJBNLYNSMRKK-ZANVPECISA-N 0 3 287.737 3.299 20 30 CGEDHN COc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c(OC)c1 ZINC000527972442 330301703 /nfs/dbraw/zinc/30/17/03/330301703.db2.gz DDCCZMHHCUCIPA-MELADBBJSA-N 0 3 288.391 3.437 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccccc1Br ZINC000424170840 330310799 /nfs/dbraw/zinc/31/07/99/330310799.db2.gz JVLPZVJXXWMAGT-JSGCOSHPSA-N 0 3 296.208 3.130 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2c2ccc(C)cc2)nn1 ZINC000424290063 330334544 /nfs/dbraw/zinc/33/45/44/330334544.db2.gz AYEQADBVMXDNGP-ROUUACIJSA-N 0 3 296.418 3.198 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cccc(F)c1F ZINC000424292696 330335142 /nfs/dbraw/zinc/33/51/42/330335142.db2.gz HEDNPMHLJGLAMX-MJVIPROJSA-N 0 3 267.319 3.207 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCCO2 ZINC000424317301 330339535 /nfs/dbraw/zinc/33/95/35/330339535.db2.gz BUARJBWVPNYIID-KCQAQPDRSA-N 0 3 286.375 3.191 20 30 CGEDHN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424336699 330343500 /nfs/dbraw/zinc/34/35/00/330343500.db2.gz YKLKNDAWSSHWCW-CLWVCHIJSA-N 0 3 258.365 3.044 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424426924 330351580 /nfs/dbraw/zinc/35/15/80/330351580.db2.gz NJBBWTWJYLSYOE-ZDUSSCGKSA-N 0 3 275.396 3.320 20 30 CGEDHN C=CCCCN(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000533348754 330358467 /nfs/dbraw/zinc/35/84/67/330358467.db2.gz FOGMOEMJCBTSKS-OAHLLOKOSA-N 0 3 288.435 3.454 20 30 CGEDHN CC[C@@H]1CN(C)c2ccccc2CN1CCCC#N ZINC000088562431 330377339 /nfs/dbraw/zinc/37/73/39/330377339.db2.gz UBZIDQBVYOVKSW-OAHLLOKOSA-N 0 3 257.381 3.021 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCc2nc(C)sc21 ZINC000090450995 330392597 /nfs/dbraw/zinc/39/25/97/330392597.db2.gz RNJQBQNOALOXRL-GFCCVEGCSA-N 0 3 266.410 3.011 20 30 CGEDHN CCN(CC)C(=O)C1(NCCC(C)(C)C#N)CCCCC1 ZINC000131878400 330454539 /nfs/dbraw/zinc/45/45/39/330454539.db2.gz AHNRTXADZUUNJT-UHFFFAOYSA-N 0 3 293.455 3.087 20 30 CGEDHN N#CCC1(CNCc2cc(F)cc(Cl)c2)CC1 ZINC000430008849 330557156 /nfs/dbraw/zinc/55/71/56/330557156.db2.gz WZEZPNLMJXFQEM-UHFFFAOYSA-N 0 3 252.720 3.263 20 30 CGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(-n2ccnc2)cc1 ZINC000430746416 330572613 /nfs/dbraw/zinc/57/26/13/330572613.db2.gz QMWGHIMVKMZELQ-CQSZACIVSA-N 0 3 280.375 3.217 20 30 CGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(OC)cc1Cl ZINC000435740601 330661648 /nfs/dbraw/zinc/66/16/48/330661648.db2.gz FKTPVSVJMRDTTL-XJKSGUPXSA-N 0 3 295.810 3.419 20 30 CGEDHN Cc1nc(-c2ccc(CN[C@H]3CC[C@H](C#N)C3)o2)cs1 ZINC000442640115 330777932 /nfs/dbraw/zinc/77/79/32/330777932.db2.gz AWOSVGNXMJXALX-RYUDHWBXSA-N 0 3 287.388 3.493 20 30 CGEDHN CCOCc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442705162 330779959 /nfs/dbraw/zinc/77/99/59/330779959.db2.gz AROLEIHTHKFQDQ-XJKSGUPXSA-N 0 3 258.365 3.005 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000442770614 330781804 /nfs/dbraw/zinc/78/18/04/330781804.db2.gz RTHDJHPFDPYCJI-SWLSCSKDSA-N 0 3 299.349 3.305 20 30 CGEDHN C=CC[C@@H](C)NCc1cc(Br)cc2c1OCC2 ZINC000159275378 330845659 /nfs/dbraw/zinc/84/56/59/330845659.db2.gz ROEMDCCWKCHPIT-SNVBAGLBSA-N 0 3 296.208 3.438 20 30 CGEDHN C=CCC[C@H](NCc1c(C)nnn1CC)c1ccccc1 ZINC000449208643 330906326 /nfs/dbraw/zinc/90/63/26/330906326.db2.gz RPBCYRWYDBNZNC-INIZCTEOSA-N 0 3 284.407 3.404 20 30 CGEDHN C=C(C)CCNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000449473701 330928736 /nfs/dbraw/zinc/92/87/36/330928736.db2.gz IHTQVHCPEAREQI-LBPRGKRZSA-N 0 3 261.365 3.074 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)nn(C(C)(C)C)c1C ZINC000449549084 330935849 /nfs/dbraw/zinc/93/58/49/330935849.db2.gz UQJGQJAXTNYVSQ-CVEARBPZSA-N 0 3 291.439 3.078 20 30 CGEDHN COCC1(C#N)CCN(CCC2=CCCCC2)CC1 ZINC000450933211 331007937 /nfs/dbraw/zinc/00/79/37/331007937.db2.gz ULXFKKAEYYCKHT-UHFFFAOYSA-N 0 3 262.397 3.129 20 30 CGEDHN N#CCc1ccc(CN2CCC=C(c3cccnc3)C2)cc1 ZINC000451029243 331012500 /nfs/dbraw/zinc/01/25/00/331012500.db2.gz ULDKLJSADXCJPE-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN N#CC1(CN[C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000451292109 331023401 /nfs/dbraw/zinc/02/34/01/331023401.db2.gz ABHDZTCECYIIER-QWRGUYRKSA-N 0 3 260.303 3.391 20 30 CGEDHN Fc1ccc(C#CCN[C@@H]2CCC23CCCC3)cc1 ZINC000451454972 331030168 /nfs/dbraw/zinc/03/01/68/331030168.db2.gz JGISMELPQYQBMD-MRXNPFEDSA-N 0 3 257.352 3.490 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(Br)c1 ZINC000451604878 331036149 /nfs/dbraw/zinc/03/61/49/331036149.db2.gz IWHKOXOOUWVWRX-HONMWMINSA-N 0 3 296.208 3.443 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)c2cccnc12 ZINC000451605366 331036318 /nfs/dbraw/zinc/03/63/18/331036318.db2.gz JWWDYXVCOSYMFR-CABCVRRESA-N 0 3 288.778 3.321 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(Cl)c1 ZINC000451610770 331036863 /nfs/dbraw/zinc/03/68/63/331036863.db2.gz ZOJXFGNYACTBGH-HONMWMINSA-N 0 3 251.757 3.334 20 30 CGEDHN CC#CCCNCc1ccc(Br)c(F)c1 ZINC000163421249 331037169 /nfs/dbraw/zinc/03/71/69/331037169.db2.gz HQZSIQIHOCKSJQ-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccccc1OC(F)F ZINC000451685100 331039129 /nfs/dbraw/zinc/03/91/29/331039129.db2.gz YSKJWRMGDDKXQX-OLZOCXBDSA-N 0 3 283.318 3.111 20 30 CGEDHN C=CCC1(C(=O)N2CCN(C3CC3)C[C@H](C)C2)CCCC1 ZINC000452165653 331056801 /nfs/dbraw/zinc/05/68/01/331056801.db2.gz QKEQSWFJKXZOAD-HNNXBMFYSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnc2ccsc2c1 ZINC000453352555 331120815 /nfs/dbraw/zinc/12/08/15/331120815.db2.gz JOVUPCFWEHSSKF-SUHUHFCYSA-N 0 3 274.389 3.290 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CC(C)(C)Cc2occc21 ZINC000453377767 331125266 /nfs/dbraw/zinc/12/52/66/331125266.db2.gz YQSBPRPUMGZFKP-RDBSUJKOSA-N 0 3 261.365 3.226 20 30 CGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000457233092 331216746 /nfs/dbraw/zinc/21/67/46/331216746.db2.gz GEQYIACVKKNJMS-MSOLQXFVSA-N 0 3 296.414 3.454 20 30 CGEDHN C=CC(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458196362 331244836 /nfs/dbraw/zinc/24/48/36/331244836.db2.gz GOCCSPZPKZGYMY-UHFFFAOYSA-N 0 3 290.407 3.086 20 30 CGEDHN C=CCC(C)(C)CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000458805539 331260301 /nfs/dbraw/zinc/26/03/01/331260301.db2.gz ARKNFEFFDMXTDX-UHFFFAOYSA-N 0 3 295.471 3.105 20 30 CGEDHN C=C[C@H](C)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459437710 331281334 /nfs/dbraw/zinc/28/13/34/331281334.db2.gz HBMFELJGKVTVDU-ARLBYUKCSA-N 0 3 277.433 3.489 20 30 CGEDHN CCO[C@@H]1C[C@@H](NCCCC#N)[C@H]1Sc1ccccc1 ZINC000459480617 331284101 /nfs/dbraw/zinc/28/41/01/331284101.db2.gz MGRJSPUFAMDQDU-BZUAXINKSA-N 0 3 290.432 3.218 20 30 CGEDHN CC(C)[C@@H](NCC#Cc1ccccc1)C1(CO)CCCC1 ZINC000459529919 331286221 /nfs/dbraw/zinc/28/62/21/331286221.db2.gz LEWLEEAXRAHIHK-GOSISDBHSA-N 0 3 285.431 3.205 20 30 CGEDHN Cn1cc(CNCC(C)(C)CC#N)c(-c2ccccc2)n1 ZINC000459738018 331297133 /nfs/dbraw/zinc/29/71/33/331297133.db2.gz XFWMQVGHJGARSC-UHFFFAOYSA-N 0 3 282.391 3.117 20 30 CGEDHN CO[C@H]1C[C@@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC000459750724 331298270 /nfs/dbraw/zinc/29/82/70/331298270.db2.gz HMBPTZMEKJGJGU-CVEARBPZSA-N 0 3 289.806 3.239 20 30 CGEDHN CC#CCCNCc1cc(Br)ccc1F ZINC000165110943 331305739 /nfs/dbraw/zinc/30/57/39/331305739.db2.gz WISIDGQNGLNDNE-UHFFFAOYSA-N 0 3 270.145 3.091 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@](C)(CCC)C1 ZINC000464839240 331370761 /nfs/dbraw/zinc/37/07/61/331370761.db2.gz PGXTYOGEPHJRLT-FUHWJXTLSA-N 0 3 292.467 3.478 20 30 CGEDHN CCCCCOc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000465048530 331376945 /nfs/dbraw/zinc/37/69/45/331376945.db2.gz FDFRAAJWDKNSST-CQSZACIVSA-N 0 3 288.391 3.340 20 30 CGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](CCC)C1 ZINC000466478248 331398050 /nfs/dbraw/zinc/39/80/50/331398050.db2.gz YFKXBBVUWRMTBU-JKSUJKDBSA-N 0 3 278.440 3.088 20 30 CGEDHN CC#CCN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481393995 331805885 /nfs/dbraw/zinc/80/58/85/331805885.db2.gz TXLPYIFBAWVNTI-BXUZGUMPSA-N 0 3 251.757 3.029 20 30 CGEDHN C=C(C)[C@H](NCC1(C)COC1)c1ccc(F)c(F)c1 ZINC000481626220 331810553 /nfs/dbraw/zinc/81/05/53/331810553.db2.gz MDFUXCSJUGQWHI-AWEZNQCLSA-N 0 3 267.319 3.208 20 30 CGEDHN C=C[C@H]1CCCCN1Cc1cccc(NC(C)=O)c1 ZINC000489477701 332055185 /nfs/dbraw/zinc/05/51/85/332055185.db2.gz JVWVYMYVAROTBK-INIZCTEOSA-N 0 3 258.365 3.186 20 30 CGEDHN C#CCN(CCc1c(C)noc1C)C1CCCCC1 ZINC000490892108 332125618 /nfs/dbraw/zinc/12/56/18/332125618.db2.gz JSFJEHSCQUJTAI-UHFFFAOYSA-N 0 3 260.381 3.102 20 30 CGEDHN C#C[C@H](NC[C@H]1CCO[C@@H](CC)C1)c1ccc(F)cc1 ZINC000491750604 332327163 /nfs/dbraw/zinc/32/71/63/332327163.db2.gz VIWRKEJATBSPTD-JQFCIGGWSA-N 0 3 275.367 3.295 20 30 CGEDHN C#C[C@H](N[C@H](C)CCOC)c1ccc(Cl)cc1 ZINC000491752854 332328667 /nfs/dbraw/zinc/32/86/67/332328667.db2.gz NAHAWXNBCXKMKE-RISCZKNCSA-N 0 3 251.757 3.029 20 30 CGEDHN Cc1cc(C)cc(C[C@@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000516563313 332572819 /nfs/dbraw/zinc/57/28/19/332572819.db2.gz DEHHBDHMADPJHQ-CVEARBPZSA-N 0 3 269.392 3.268 20 30 CGEDHN C=C(C)CN(C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000305819148 333000047 /nfs/dbraw/zinc/00/00/47/333000047.db2.gz PREGOAPVGWQXNN-BBRMVZONSA-N 0 3 297.826 3.286 20 30 CGEDHN C=C(C)CCN[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000513127092 333005552 /nfs/dbraw/zinc/00/55/52/333005552.db2.gz CNSCHSSLDDDWIQ-INIZCTEOSA-N 0 3 279.355 3.160 20 30 CGEDHN CC(C)C[C@@]1(CO)CCCN1CC#Cc1ccc(F)cc1 ZINC000191647717 333222783 /nfs/dbraw/zinc/22/27/83/333222783.db2.gz YVYYTRCXCLQMSX-GOSISDBHSA-N 0 3 289.394 3.050 20 30 CGEDHN Cc1cccc(C2(CNC(=O)C(C)C#N)CCCCC2)c1 ZINC000522983825 333303117 /nfs/dbraw/zinc/30/31/17/333303117.db2.gz KPYPABKKDLJRGI-HNNXBMFYSA-N 0 3 284.403 3.473 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000543448950 333875529 /nfs/dbraw/zinc/87/55/29/333875529.db2.gz NHQPOYCRNVNKCF-CQSZACIVSA-N 0 3 295.810 3.062 20 30 CGEDHN C=CCOCCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000549527362 334196227 /nfs/dbraw/zinc/19/62/27/334196227.db2.gz MWYHIIHUOCOFHX-MRXNPFEDSA-N 0 3 263.356 3.459 20 30 CGEDHN CC[C@](C)(C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000550748685 334228282 /nfs/dbraw/zinc/22/82/82/334228282.db2.gz XFLMRSUEZQOJFJ-GOSISDBHSA-N 0 3 299.418 3.095 20 30 CGEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000554075165 334409551 /nfs/dbraw/zinc/40/95/51/334409551.db2.gz SIJNEGWEQYUGOH-KCYZZUKISA-N 0 3 292.467 3.214 20 30 CGEDHN CCc1ccc(CN2CCC(CCC#N)CC2)cn1 ZINC000565364904 334556516 /nfs/dbraw/zinc/55/65/16/334556516.db2.gz PDDYQSMZOVPISK-UHFFFAOYSA-N 0 3 257.381 3.160 20 30 CGEDHN CCC[C@H](C)[C@@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000566304733 334641695 /nfs/dbraw/zinc/64/16/95/334641695.db2.gz QJMRAIZDSCOUSA-XJKSGUPXSA-N 0 3 279.811 3.078 20 30 CGEDHN COCCN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342766271 335186836 /nfs/dbraw/zinc/18/68/36/335186836.db2.gz TYDRMYJRMIUZKK-UHFFFAOYSA-N 0 3 294.398 3.401 20 30 CGEDHN C[C@H](c1ccncc1)N(C)Cc1ccc(CC#N)cc1 ZINC000343750220 335218759 /nfs/dbraw/zinc/21/87/59/335218759.db2.gz NGPSAOWNYVRDCU-CQSZACIVSA-N 0 3 265.360 3.341 20 30 CGEDHN Cc1cccc(CCN(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000576752135 335243211 /nfs/dbraw/zinc/24/32/11/335243211.db2.gz YTYOJFVBWFWFGF-UHFFFAOYSA-N 0 3 291.398 3.469 20 30 CGEDHN C=CCCCNCc1c(C(C)C)nc2sc(C)nn12 ZINC000577576197 335371857 /nfs/dbraw/zinc/37/18/57/335371857.db2.gz RWZQFVCYEHZFKE-UHFFFAOYSA-N 0 3 278.425 3.278 20 30 CGEDHN COCc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177683519 335378882 /nfs/dbraw/zinc/37/88/82/335378882.db2.gz QZFWLUGSLPBYGB-UHFFFAOYSA-N 0 3 272.373 3.056 20 30 CGEDHN N#Cc1csc(CNCCc2c(F)cccc2F)c1 ZINC000177687065 335379205 /nfs/dbraw/zinc/37/92/05/335379205.db2.gz HPPXOIOTBQNLNK-UHFFFAOYSA-N 0 3 278.327 3.230 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)cs1)Oc1ccc(F)cc1 ZINC000177707321 335380499 /nfs/dbraw/zinc/38/04/99/335380499.db2.gz XSGOUODNROWWSK-NSHDSACASA-N 0 3 290.363 3.316 20 30 CGEDHN CO[C@@](C)(CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000384300836 336123793 /nfs/dbraw/zinc/12/37/93/336123793.db2.gz ISGYRZUTELEKRQ-SFHVURJKSA-N 0 3 280.371 3.210 20 30 CGEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581728960 336138982 /nfs/dbraw/zinc/13/89/82/336138982.db2.gz CMDOYZUECMULKU-FZMZJTMJSA-N 0 3 273.336 3.087 20 30 CGEDHN C[C@@H](CN(C)Cc1ccc(CC#N)cc1)c1nccs1 ZINC000344341789 533742648 /nfs/dbraw/zinc/74/26/48/533742648.db2.gz YURLZHOPSWJMCN-ZDUSSCGKSA-N 0 3 285.416 3.445 20 30 CGEDHN C[C@H](NCCN1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358579637 533856544 /nfs/dbraw/zinc/85/65/44/533856544.db2.gz XASUFGUIIFSAHO-AWEZNQCLSA-N 0 3 289.398 3.080 20 30 CGEDHN C[C@H](NC[C@H](CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000358574064 533894552 /nfs/dbraw/zinc/89/45/52/533894552.db2.gz RLXJGPYLLPZEPC-XJKSGUPXSA-N 0 3 298.361 3.124 20 30 CGEDHN C[C@H](N[C@@H]1CCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000366213618 533989320 /nfs/dbraw/zinc/98/93/20/533989320.db2.gz KHDVXROYNJJJSI-MAUKXSAKSA-N 0 3 291.398 3.488 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccc(C#N)nc2)C1 ZINC000359506014 534135097 /nfs/dbraw/zinc/13/50/97/534135097.db2.gz IEPQMEBBDQFUKS-KDOFPFPSSA-N 0 3 292.386 3.201 20 30 CGEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000347072328 534281850 /nfs/dbraw/zinc/28/18/50/534281850.db2.gz PYFHYNDSOGBEMX-ZJUUUORDSA-N 0 3 284.281 3.384 20 30 CGEDHN C=C(C)COc1cc(CNCCOC(C)C)ccc1OC ZINC000184153565 518610923 /nfs/dbraw/zinc/61/09/23/518610923.db2.gz OQGUULCNWREGJL-UHFFFAOYSA-N 0 3 293.407 3.165 20 30 CGEDHN C=C(C)[C@@H](NC(=O)CN(CC)CC)c1ccc(F)c(F)c1 ZINC000184859429 518642568 /nfs/dbraw/zinc/64/25/68/518642568.db2.gz KOQVNLCNWGFLPY-MRXNPFEDSA-N 0 3 296.361 3.040 20 30 CGEDHN C=CC[C@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000184272114 519117182 /nfs/dbraw/zinc/11/71/82/519117182.db2.gz DRHFKFWSFCZBGA-CQSZACIVSA-N 0 3 275.323 3.112 20 30 CGEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CCC1 ZINC000189821045 534592469 /nfs/dbraw/zinc/59/24/69/534592469.db2.gz KQVJBKMFFHPLAF-IRXDYDNUSA-N 0 3 298.430 3.294 20 30 CGEDHN N#CCCCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352792554 534613979 /nfs/dbraw/zinc/61/39/79/534613979.db2.gz MHWKTCSOLCUYPG-CYBMUJFWSA-N 0 3 287.190 3.310 20 30 CGEDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(C#N)c1 ZINC000037233642 525525153 /nfs/dbraw/zinc/52/51/53/525525153.db2.gz XIDZLNOXDUTVIW-CQSZACIVSA-N 0 3 279.387 3.475 20 30 CGEDHN C=CCN(CCc1ccco1)CC[C@@H]1CCCCO1 ZINC000347784575 526325781 /nfs/dbraw/zinc/32/57/81/526325781.db2.gz AVWSOCXQXINGAT-HNNXBMFYSA-N 0 3 263.381 3.269 20 30 CGEDHN C=CCN(C[C@H](O)COc1cc(C)ccc1Cl)C1CC1 ZINC000347542424 526330010 /nfs/dbraw/zinc/33/00/10/526330010.db2.gz OSRDXFDJPMZNPS-AWEZNQCLSA-N 0 3 295.810 3.039 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H](SCC)C1 ZINC000350898409 526520552 /nfs/dbraw/zinc/52/05/52/526520552.db2.gz VXBJTIBVFPBBGY-HNNXBMFYSA-N 0 3 298.496 3.019 20 30 CGEDHN C=CCCCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418105050 527220761 /nfs/dbraw/zinc/22/07/61/527220761.db2.gz YWARGEFZKIHYCZ-INIZCTEOSA-N 0 3 289.423 3.075 20 30 CGEDHN C=CCCOCCN[C@H](c1ccc(F)cn1)C(C)C ZINC000354037264 527367626 /nfs/dbraw/zinc/36/76/26/527367626.db2.gz CPDFVSHSNBVLSY-HNNXBMFYSA-N 0 3 266.360 3.100 20 30 CGEDHN C=CCC[C@@H](NCCc1c(C)nn(C)c1C)c1ccco1 ZINC000353389394 527448132 /nfs/dbraw/zinc/44/81/32/527448132.db2.gz VTWJJOAIRKMQJK-MRXNPFEDSA-N 0 3 287.407 3.470 20 30 CGEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(OC)c1 ZINC000449756715 527743576 /nfs/dbraw/zinc/74/35/76/527743576.db2.gz BPCDEPINXWGEEB-HZPDHXFCSA-N 0 3 288.391 3.004 20 30 CGEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439467174 527971645 /nfs/dbraw/zinc/97/16/45/527971645.db2.gz YHZMPGCMVZNBPC-STQMWFEESA-N 0 3 291.826 3.126 20 30 CGEDHN CC(C)[C@@H](CNCc1cc(C#N)n(C)c1)Nc1ccccc1 ZINC000190980827 535193159 /nfs/dbraw/zinc/19/31/59/535193159.db2.gz NHAXCHIIVZSRBE-GOSISDBHSA-N 0 3 296.418 3.123 20 30 CGEDHN CN(C)Cc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 ZINC000494911664 536015807 /nfs/dbraw/zinc/01/58/07/536015807.db2.gz VAXHXBPOQJCTQQ-UHFFFAOYSA-N 0 3 297.333 3.011 20 30 CGEDHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000512635086 536815730 /nfs/dbraw/zinc/81/57/30/536815730.db2.gz FSXZCRRHQNUEFW-LZJQFABFSA-N 0 3 290.382 3.407 20 30 CGEDHN C#CCCCOC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000727040567 571704374 /nfs/dbraw/zinc/70/43/74/571704374.db2.gz KHWZHHIASOGOCF-UHFFFAOYSA-N 0 3 285.387 3.243 20 30 CGEDHN CCCCCCCCC(=O)N(C)CCN1CCCC1 ZINC000728550548 571811112 /nfs/dbraw/zinc/81/11/12/571811112.db2.gz NNMMYTBRSFCUBA-UHFFFAOYSA-N 0 3 268.445 3.291 20 30 CGEDHN C[C@@H]1C[C@H](C)CN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000740859861 571886361 /nfs/dbraw/zinc/88/63/61/571886361.db2.gz NQDKONKUUYTIEM-UONOGXRCSA-N 0 3 280.375 3.110 20 30 CGEDHN C#Cc1cccc(N(C)C(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000729372687 571903352 /nfs/dbraw/zinc/90/33/52/571903352.db2.gz VATQTTOQBSRCDD-GOSISDBHSA-N 0 3 298.430 3.141 20 30 CGEDHN CS[C@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422093 572352554 /nfs/dbraw/zinc/35/25/54/572352554.db2.gz TXDGNHWFSLGQCZ-VXNVDRBHSA-N 0 3 294.376 3.363 20 30 CGEDHN C=CCN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000725799459 572407322 /nfs/dbraw/zinc/40/73/22/572407322.db2.gz UZHRHSPPSUTVJP-GJZGRUSLSA-N 0 3 294.439 3.426 20 30 CGEDHN CCCCCCCCN(C)CC(=O)NC(C)(C)C ZINC000740873496 572463822 /nfs/dbraw/zinc/46/38/22/572463822.db2.gz FWHNPRLYIBBYEC-UHFFFAOYSA-N 0 3 256.434 3.193 20 30 CGEDHN C#CCOc1ccccc1CNCc1cccc2[nH]ccc21 ZINC000734159645 572636515 /nfs/dbraw/zinc/63/65/15/572636515.db2.gz TVNSJXQPFZHJLD-UHFFFAOYSA-N 0 3 290.366 3.470 20 30 CGEDHN C[C@H]1CN(Cc2ccccc2)CCC1=NNC1CCCC1 ZINC000734365625 572648863 /nfs/dbraw/zinc/64/88/63/572648863.db2.gz NTFSNLHVABEXQO-HNNXBMFYSA-N 0 3 285.435 3.417 20 30 CGEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000735208230 572708797 /nfs/dbraw/zinc/70/87/97/572708797.db2.gz KWSKYFFDYABLMB-NJHLSQGMSA-N 0 3 290.750 3.344 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CCSCC3)nc21 ZINC000735790561 572740510 /nfs/dbraw/zinc/74/05/10/572740510.db2.gz NGCPAPJEMFVJEM-LBPRGKRZSA-N 0 3 299.399 3.191 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)C3CCSCC3)[nH]c21 ZINC000735790561 572740514 /nfs/dbraw/zinc/74/05/14/572740514.db2.gz NGCPAPJEMFVJEM-LBPRGKRZSA-N 0 3 299.399 3.191 20 30 CGEDHN C#CCN(Cc1ccc(F)c(Br)c1)C(C)C ZINC000746132755 572855909 /nfs/dbraw/zinc/85/59/09/572855909.db2.gz HDKOPBHJNNOOJO-UHFFFAOYSA-N 0 3 284.172 3.432 20 30 CGEDHN C[C@@H]1CCCCN1CCNc1nc2ccccc2cc1C#N ZINC000750016351 573074716 /nfs/dbraw/zinc/07/47/16/573074716.db2.gz UHHVBZGCFGFGMJ-CQSZACIVSA-N 0 3 294.402 3.393 20 30 CGEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000750690397 573161765 /nfs/dbraw/zinc/16/17/65/573161765.db2.gz PNFIVRYBAYGJOV-SNVBAGLBSA-N 0 3 254.289 3.194 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972998922 613341221 /nfs/dbraw/zinc/34/12/21/613341221.db2.gz PWTXZJOQBWSBKU-ZDUSSCGKSA-N 0 3 292.467 3.071 20 30 CGEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000963255705 613374294 /nfs/dbraw/zinc/37/42/94/613374294.db2.gz ZTMZKBMCTKLXIO-LSDHHAIUSA-N 0 3 298.858 3.098 20 30 CGEDHN C=CCCN1CCCN(C(=O)C2(CC)CCCC2)CC1 ZINC000983454933 613492015 /nfs/dbraw/zinc/49/20/15/613492015.db2.gz UXQPBIPILVLVNL-UHFFFAOYSA-N 0 3 278.440 3.067 20 30 CGEDHN C=CCCN1C[C@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000972758813 613555454 /nfs/dbraw/zinc/55/54/54/613555454.db2.gz XQUZIYHEKJIJHA-AWEZNQCLSA-N 0 3 292.448 3.073 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000940999505 613741595 /nfs/dbraw/zinc/74/15/95/613741595.db2.gz JJVIGMSEIAUWIF-MRXNPFEDSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C[C@@H]1C ZINC000948013219 613748891 /nfs/dbraw/zinc/74/88/91/613748891.db2.gz UMZZVAODCVKCQY-GXTWGEPZSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cscc2Cl)[C@H](C)C1 ZINC000942155697 613760141 /nfs/dbraw/zinc/76/01/41/613760141.db2.gz KEAKXMMFZRDFOA-ZWNOBZJWSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2Cl)[C@@H](C)C1 ZINC000943332982 613794395 /nfs/dbraw/zinc/79/43/95/613794395.db2.gz GTHLWVVVLVMFOA-JQWIXIFHSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2Cl)C[C@@H]1C ZINC000947779394 613794655 /nfs/dbraw/zinc/79/46/55/613794655.db2.gz OZOAPZVOADQNPR-QWRGUYRKSA-N 0 3 298.839 3.170 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2sccc2CC)C[C@@H]1C ZINC000948067489 613801895 /nfs/dbraw/zinc/80/18/95/613801895.db2.gz XITOJQWFWSFXRT-JSGCOSHPSA-N 0 3 292.448 3.079 20 30 CGEDHN N#CCOc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000034991598 617612185 /nfs/dbraw/zinc/61/21/85/617612185.db2.gz WZGGFZUJNDFBNJ-UHFFFAOYSA-N 0 3 270.307 3.018 20 30 CGEDHN Cc1csc(C[C@@H]2CCN(Cc3cccc(C#N)c3)C2)n1 ZINC000933128814 618159665 /nfs/dbraw/zinc/15/96/65/618159665.db2.gz XGGNLHFHPCWDLE-INIZCTEOSA-N 0 3 297.427 3.388 20 30 CGEDHN C=C(Br)CN[C@@H]1CS[C@@H](C(C)C)C1 ZINC000308141326 618178890 /nfs/dbraw/zinc/17/88/90/618178890.db2.gz ISKXKYJKROXOKE-VHSXEESVSA-N 0 3 264.232 3.015 20 30 CGEDHN COc1ccc(O)c(/C=N\C[C@H](c2ccccc2)N(C)C)c1 ZINC000255396570 618286857 /nfs/dbraw/zinc/28/68/57/618286857.db2.gz DQQNZGDBWRVEEX-UEXNTNOUSA-N 0 3 298.386 3.123 20 30 CGEDHN CO[C@@H](CN(C)Cc1cc(C#N)cs1)C1CCCC1 ZINC000933770749 618320772 /nfs/dbraw/zinc/32/07/72/618320772.db2.gz MNPRNFAFAUQRSL-HNNXBMFYSA-N 0 3 278.421 3.257 20 30 CGEDHN C=CCCCCCN(C)Cc1cnn(C)c1C1CC1 ZINC000892068700 618516374 /nfs/dbraw/zinc/51/63/74/618516374.db2.gz BTFIPOFNTQUQRY-UHFFFAOYSA-N 0 3 261.413 3.476 20 30 CGEDHN CCOCc1ccccc1CNCC#Cc1ccccc1 ZINC000051814185 618649249 /nfs/dbraw/zinc/64/92/49/618649249.db2.gz UKWXDTPECLBOEB-UHFFFAOYSA-N 0 3 279.383 3.364 20 30 CGEDHN CC1(C)C[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000178770446 618688315 /nfs/dbraw/zinc/68/83/15/618688315.db2.gz SKEZWTRWHGDRAG-NXEZZACHSA-N 0 3 254.289 3.050 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nn(CC)nc1C ZINC000926591705 618755928 /nfs/dbraw/zinc/75/59/28/618755928.db2.gz MZBPWSHTBFWQMM-YOEHRIQHSA-N 0 3 298.434 3.444 20 30 CGEDHN COc1ccc(OC)c(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000924597481 618920642 /nfs/dbraw/zinc/92/06/42/618920642.db2.gz LYSOYDIOIIFYSF-GFCCVEGCSA-N 0 3 276.380 3.122 20 30 CGEDHN C=CCCC[C@H](C)NCc1cn(Cc2ccccc2)nn1 ZINC000893302682 619079485 /nfs/dbraw/zinc/07/94/85/619079485.db2.gz GZGONNJVIHJPCP-HNNXBMFYSA-N 0 3 284.407 3.161 20 30 CGEDHN C=CCCC[C@@H](C)N[C@H](C)c1cn(C(C)C)nn1 ZINC000925704150 619153819 /nfs/dbraw/zinc/15/38/19/619153819.db2.gz ILPFLQQKKMUHCB-CHWSQXEVSA-N 0 3 250.390 3.254 20 30 CGEDHN C=C[C@@H](Cc1ccccc1)OC(=O)C1CCN(C2CC2)CC1 ZINC000893449811 619178308 /nfs/dbraw/zinc/17/83/08/619178308.db2.gz GUOLQIVXQLHHHA-SFHVURJKSA-N 0 3 299.414 3.201 20 30 CGEDHN C[C@@H](NCCC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000063099457 619283863 /nfs/dbraw/zinc/28/38/63/619283863.db2.gz UVUYCSURAABXMY-SNVBAGLBSA-N 0 3 272.270 3.192 20 30 CGEDHN COCC(C)(C)CCCNCc1cc(C#N)cnc1Cl ZINC000877533134 619399886 /nfs/dbraw/zinc/39/98/86/619399886.db2.gz LJJSLZLDOCYROX-UHFFFAOYSA-N 0 3 295.814 3.149 20 30 CGEDHN CC(C)Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000895010836 619694756 /nfs/dbraw/zinc/69/47/56/619694756.db2.gz VZZDKHNLOIIYPI-XJKSGUPXSA-N 0 3 257.381 3.062 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2cnc3onc(C)c3c2)C1 ZINC000895250994 619791007 /nfs/dbraw/zinc/79/10/07/619791007.db2.gz RGKUDGKHEVTJCI-ZDUSSCGKSA-N 0 3 271.364 3.319 20 30 CGEDHN C=CC[C@@H]1CCCN(Cc2ccc(OCCOC)o2)C1 ZINC000895338932 619807292 /nfs/dbraw/zinc/80/72/92/619807292.db2.gz WBMZFBALOYNKNN-CQSZACIVSA-N 0 3 279.380 3.093 20 30 CGEDHN C[C@H](CCC#N)CN1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000895408373 619822789 /nfs/dbraw/zinc/82/27/89/619822789.db2.gz AZEJDRIRVLDFMC-CJNGLKHVSA-N 0 3 280.412 3.122 20 30 CGEDHN FC(F)(F)[C@H]1CCC[C@@H](CNCC#Cc2ccccc2)O1 ZINC000896824266 620071838 /nfs/dbraw/zinc/07/18/38/620071838.db2.gz SIYTYJKYYOELOO-LSDHHAIUSA-N 0 3 297.320 3.128 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2=CCOCC2)c([O-])c1 ZINC000840707551 620090355 /nfs/dbraw/zinc/09/03/55/620090355.db2.gz POVWJTTZWBVNGA-QGOAFFKASA-N 0 3 288.391 3.004 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\CC2(CC)COC2)c([O-])c1 ZINC000840711324 620135940 /nfs/dbraw/zinc/13/59/40/620135940.db2.gz YMJUTERFMXEBQZ-ZDLGFXPLSA-N 0 3 290.407 3.084 20 30 CGEDHN C=C1CCC(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000897240829 620169223 /nfs/dbraw/zinc/16/92/23/620169223.db2.gz RLFPVKAJUIZAJV-ROUUACIJSA-N 0 3 298.430 3.294 20 30 CGEDHN C[C@H](CC(C)(C)C#N)NCc1cnn(CC2CCC2)c1 ZINC000897429149 620316123 /nfs/dbraw/zinc/31/61/23/620316123.db2.gz BDFHDPPIDNXPDM-CYBMUJFWSA-N 0 3 274.412 3.101 20 30 CGEDHN C=C[C@@H]1CCCCN1C[C@H](O)c1ccc(Cl)cc1 ZINC000785997438 620393791 /nfs/dbraw/zinc/39/37/91/620393791.db2.gz OMHOHRPOJSXDLX-CABCVRRESA-N 0 3 265.784 3.414 20 30 CGEDHN CC1=C[C@H](C)C[C@@H](CNCc2nc(C#N)cs2)C1 ZINC000897628137 620413494 /nfs/dbraw/zinc/41/34/94/620413494.db2.gz DEVAVEZVAAPPFG-CMPLNLGQSA-N 0 3 261.394 3.097 20 30 CGEDHN CC[C@@H](C)C[C@@H](CC)NCc1nc(C#N)cs1 ZINC000897629629 620414326 /nfs/dbraw/zinc/41/43/26/620414326.db2.gz WLGWFJPEQWZJJQ-GHMZBOCLSA-N 0 3 251.399 3.319 20 30 CGEDHN CC[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)CC1 ZINC000897630433 620414577 /nfs/dbraw/zinc/41/45/77/620414577.db2.gz YPDKPUOWDZAVRS-NEPJUHHUSA-N 0 3 263.410 3.463 20 30 CGEDHN C#CCCCCCCNCc1cc(C(F)(F)F)n(C)n1 ZINC000898020797 620468237 /nfs/dbraw/zinc/46/82/37/620468237.db2.gz IINUESRWSBXRPC-UHFFFAOYSA-N 0 3 287.329 3.112 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cnn(CC2CCC2)c1 ZINC000898178316 620490118 /nfs/dbraw/zinc/49/01/18/620490118.db2.gz ALWGRBSRICQGAW-JLJPHGGASA-N 0 3 286.423 3.416 20 30 CGEDHN C#CCOc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000898324011 620506475 /nfs/dbraw/zinc/50/64/75/620506475.db2.gz BDIMNFKADXCWBJ-LJQANCHMSA-N 0 3 292.382 3.335 20 30 CGEDHN CC[C@H](NCc1ccc(OC)nc1)c1cccc(C#N)c1 ZINC000902735545 621418975 /nfs/dbraw/zinc/41/89/75/621418975.db2.gz FUJYOEZAQLUNSZ-INIZCTEOSA-N 0 3 281.359 3.203 20 30 CGEDHN CC[C@@H](N[C@H]1CCCc2c1cnn2C)c1cccc(C#N)c1 ZINC000902742709 621421906 /nfs/dbraw/zinc/42/19/06/621421906.db2.gz WCYRVCBJSZEJHO-SJORKVTESA-N 0 3 294.402 3.410 20 30 CGEDHN CC[C@@H](N[C@H](C)c1cn(C)nc1C)c1cccc(C#N)c1 ZINC000902789704 621446620 /nfs/dbraw/zinc/44/66/20/621446620.db2.gz IYSIFDKIWMEDIO-SJKOYZFVSA-N 0 3 282.391 3.402 20 30 CGEDHN C=CCC[C@@H](NCc1cc(C)no1)[C@@]1(C)CCCCO1 ZINC000902794663 621450704 /nfs/dbraw/zinc/45/07/04/621450704.db2.gz XTZXLIXLLOHDPE-HZPDHXFCSA-N 0 3 278.396 3.367 20 30 CGEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)Oc1ccccc1F ZINC000902820703 621455780 /nfs/dbraw/zinc/45/57/80/621455780.db2.gz DVOSTNPKCXOJQY-STQMWFEESA-N 0 3 299.349 3.210 20 30 CGEDHN C[C@H](C[C@H](O)c1ccccc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902848606 621471731 /nfs/dbraw/zinc/47/17/31/621471731.db2.gz UDYHZKBIRONOOY-GLJUWKHASA-N 0 3 295.386 3.116 20 30 CGEDHN C[C@H](N[C@H]1C[C@H]1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902873146 621476439 /nfs/dbraw/zinc/47/64/39/621476439.db2.gz WWXQNIMZTCABOD-XCRHUMRWSA-N 0 3 277.371 3.235 20 30 CGEDHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1cc(C#N)ccn1 ZINC000902882706 621483609 /nfs/dbraw/zinc/48/36/09/621483609.db2.gz VRJHPKRHNYIGJR-JQWIXIFHSA-N 0 3 265.307 3.182 20 30 CGEDHN Cc1cnc([C@@H](C)CN[C@@H](C)c2cc(C#N)ccn2)s1 ZINC000902950840 621503997 /nfs/dbraw/zinc/50/39/97/621503997.db2.gz KBYVLYWZAQRREJ-JQWIXIFHSA-N 0 3 286.404 3.173 20 30 CGEDHN C[C@H](NC1(Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902957525 621505774 /nfs/dbraw/zinc/50/57/74/621505774.db2.gz KAISTXZKSIBXPO-AWEZNQCLSA-N 0 3 277.371 3.379 20 30 CGEDHN C=CCC[C@H](NCc1snnc1C)[C@@]1(C)CCCCO1 ZINC000902998982 621523455 /nfs/dbraw/zinc/52/34/55/621523455.db2.gz JSXYWXVXWDQVAL-LSDHHAIUSA-N 0 3 295.452 3.230 20 30 CGEDHN CO[C@@H]1CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000903127455 621590650 /nfs/dbraw/zinc/59/06/50/621590650.db2.gz YDBHVLRYEMKEOX-LSDHHAIUSA-N 0 3 297.320 3.214 20 30 CGEDHN C[C@H](NCC(C)(C)CC#N)c1cnn(CC2CCC2)c1 ZINC000903186890 621627380 /nfs/dbraw/zinc/62/73/80/621627380.db2.gz WFSDIRCRIXXHID-ZDUSSCGKSA-N 0 3 274.412 3.274 20 30 CGEDHN CCCCCCCC[C@@H](CO)N[C@H]1CCCn2ccnc21 ZINC000903317601 621688627 /nfs/dbraw/zinc/68/86/27/621688627.db2.gz FAKLUIMQQAHRKT-HOTGVXAUSA-N 0 3 293.455 3.419 20 30 CGEDHN COC(C)(C)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000903332077 621706153 /nfs/dbraw/zinc/70/61/53/621706153.db2.gz PPXCSQKPNPUPAR-WDEREUQCSA-N 0 3 264.344 3.161 20 30 CGEDHN CC(C)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905083153 622033131 /nfs/dbraw/zinc/03/31/31/622033131.db2.gz ZSAZWJSSHYBJAQ-ZEVOCZHWSA-N 0 3 267.332 3.242 20 30 CGEDHN CCCc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905083857 622033243 /nfs/dbraw/zinc/03/32/43/622033243.db2.gz GNXFPDAUHYMMGV-ZECSTPGPSA-N 0 3 267.332 3.072 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000912332868 622632857 /nfs/dbraw/zinc/63/28/57/622632857.db2.gz ISLSUHKLNWLACV-CYBMUJFWSA-N 0 3 296.798 3.361 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@@H]12 ZINC000992458606 623573203 /nfs/dbraw/zinc/57/32/03/623573203.db2.gz KSQOEZDYOPGEGJ-IEBWSBKVSA-N 0 3 298.430 3.216 20 30 CGEDHN CO[C@@H](CNCc1csc(C#N)c1)c1ccccc1 ZINC000921577827 625686206 /nfs/dbraw/zinc/68/62/06/625686206.db2.gz JGZFEWFBQOIZPM-HNNXBMFYSA-N 0 3 272.373 3.097 20 30 CGEDHN COc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921490323 624595186 /nfs/dbraw/zinc/59/51/86/624595186.db2.gz FSUWZFBZHVNZFV-UHFFFAOYSA-N 0 3 280.371 3.474 20 30 CGEDHN C[C@H](C#N)Oc1ccc(CNCc2cccs2)cc1 ZINC000237579634 624660055 /nfs/dbraw/zinc/66/00/55/624660055.db2.gz SUYZQPBZZCIAKZ-GFCCVEGCSA-N 0 3 272.373 3.329 20 30 CGEDHN Cc1ncsc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000071212783 625065574 /nfs/dbraw/zinc/06/55/74/625065574.db2.gz LVMJRIPCGJFBCV-NSHDSACASA-N 0 3 287.388 3.205 20 30 CGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000999366769 625829728 /nfs/dbraw/zinc/82/97/28/625829728.db2.gz ISBYGUPFULDMKD-HSBZDZAISA-N 0 3 298.858 3.144 20 30 CGEDHN C=CCN1CC=C(CNC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001001462503 625897000 /nfs/dbraw/zinc/89/70/00/625897000.db2.gz GYRULZPMKPFPRY-UHFFFAOYSA-N 0 3 296.414 3.112 20 30 CGEDHN CS[C@H](C)CNCc1cc(C#N)ccc1Br ZINC000921926059 625932412 /nfs/dbraw/zinc/93/24/12/625932412.db2.gz VZUPOZDSQZBYQC-SECBINFHSA-N 0 3 299.237 3.162 20 30 CGEDHN Cc1cc(C)cc([C@H](O)CNCc2csc(C#N)c2)c1 ZINC000922108242 625970106 /nfs/dbraw/zinc/97/01/06/625970106.db2.gz DHSYJMTZLHVPKA-MRXNPFEDSA-N 0 3 286.400 3.060 20 30 CGEDHN Cc1cc(CNCc2c(C)cc(C#N)cc2C)ccn1 ZINC000922153729 625973853 /nfs/dbraw/zinc/97/38/53/625973853.db2.gz JTYFVSMMBGLFTN-UHFFFAOYSA-N 0 3 265.360 3.168 20 30 CGEDHN CC[C@H](CNCc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000922600514 626017868 /nfs/dbraw/zinc/01/78/68/626017868.db2.gz VOYRKKHRUNEELX-GFCCVEGCSA-N 0 3 294.420 3.077 20 30 CGEDHN C=C1CCC(CNCc2cc3n(n2)CCCC3)CC1 ZINC000922710405 626035574 /nfs/dbraw/zinc/03/55/74/626035574.db2.gz KOPPTVWFHWSLRR-UHFFFAOYSA-N 0 3 259.397 3.055 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC001005584295 626093000 /nfs/dbraw/zinc/09/30/00/626093000.db2.gz RYHQZKZLJKPDAQ-MAUKXSAKSA-N 0 3 292.467 3.312 20 30 CGEDHN C#CC[N@@H+](CC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753531593 626173536 /nfs/dbraw/zinc/17/35/36/626173536.db2.gz QSHIEBNUWLZHKX-UHFFFAOYSA-N 0 3 295.382 3.426 20 30 CGEDHN C#CC[N@H+](CC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753531593 626173538 /nfs/dbraw/zinc/17/35/38/626173538.db2.gz QSHIEBNUWLZHKX-UHFFFAOYSA-N 0 3 295.382 3.426 20 30 CGEDHN C#C[C@@H](NCc1cc(Cl)c(O)c(OCC)c1)C(C)C ZINC000839087846 626312587 /nfs/dbraw/zinc/31/25/87/626312587.db2.gz BWTSXAUSTWGDND-CYBMUJFWSA-N 0 3 281.783 3.192 20 30 CGEDHN CC(C)(C)O[C@H]1C[C@H](NCC2(C#N)CCC2)C1(C)C ZINC000839200549 626332104 /nfs/dbraw/zinc/33/21/04/626332104.db2.gz UYORYZONWUFPLO-STQMWFEESA-N 0 3 264.413 3.252 20 30 CGEDHN CC1(C)C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000752479549 626429177 /nfs/dbraw/zinc/42/91/77/626429177.db2.gz SKEZWTRWHGDRAG-UWVGGRQHSA-N 0 3 254.289 3.050 20 30 CGEDHN C#CCOCCN[C@@H](C)c1oc2ccccc2c1C ZINC000753767752 626465045 /nfs/dbraw/zinc/46/50/45/626465045.db2.gz MBUOGFVZCSJPHR-ZDUSSCGKSA-N 0 3 257.333 3.042 20 30 CGEDHN C[C@H](CCC#N)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839618050 626766735 /nfs/dbraw/zinc/76/67/35/626766735.db2.gz DUPVUKTVOBFVIJ-GFCCVEGCSA-N 0 3 293.798 3.270 20 30 CGEDHN C#C[C@@H](CC)NCc1ccc(OCC(F)(F)F)cc1 ZINC000809685967 626770906 /nfs/dbraw/zinc/77/09/06/626770906.db2.gz DROKKQRLAPWANS-LBPRGKRZSA-N 0 3 271.282 3.129 20 30 CGEDHN N#CC(C(=O)[C@H]1CCSC1)c1ccc2ccccc2n1 ZINC000762064799 627084624 /nfs/dbraw/zinc/08/46/24/627084624.db2.gz XVGYQJPCMKQILQ-STQMWFEESA-N 0 3 282.368 3.164 20 30 CGEDHN C#C[C@@H](NCc1ccc(OC(F)F)c(OC)c1)C(C)(C)C ZINC000809781099 627103854 /nfs/dbraw/zinc/10/38/54/627103854.db2.gz HOCDPNHDESUGMM-CQSZACIVSA-N 0 3 297.345 3.434 20 30 CGEDHN N#Cc1ccc([C@H](O)CNCc2cc3ccccc3o2)cc1 ZINC000763232176 627145850 /nfs/dbraw/zinc/14/58/50/627145850.db2.gz RONAGMRCOSVRDP-QGZVFWFLSA-N 0 3 292.338 3.128 20 30 CGEDHN C=CC[C@H](N[C@@H](C)c1ccncc1)c1ccncc1 ZINC000768403994 627479405 /nfs/dbraw/zinc/47/94/05/627479405.db2.gz SWLFDCXXJNOQHQ-BBRMVZONSA-N 0 3 253.349 3.445 20 30 CGEDHN C#CCN(CC)Cc1ccc(Br)cc1C ZINC000769111931 627523508 /nfs/dbraw/zinc/52/35/08/627523508.db2.gz UBEGANBTGZJKAH-UHFFFAOYSA-N 0 3 266.182 3.213 20 30 CGEDHN C#CCN(Cc1cnn(C(C)(C)C)c1)C1CCCCC1 ZINC000769145665 627525934 /nfs/dbraw/zinc/52/59/34/627525934.db2.gz MLFLHLNSHQBHLW-UHFFFAOYSA-N 0 3 273.424 3.406 20 30 CGEDHN C=C1CCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000769340867 627544451 /nfs/dbraw/zinc/54/44/51/627544451.db2.gz YHRCMFMHADGRCA-AWEZNQCLSA-N 0 3 280.412 3.038 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)N2CCCC2)cc1)C1CC1 ZINC000772383288 627789108 /nfs/dbraw/zinc/78/91/08/627789108.db2.gz VVBLXLHTBBXLJL-UHFFFAOYSA-N 0 3 284.403 3.073 20 30 CGEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000773121449 627859277 /nfs/dbraw/zinc/85/92/77/627859277.db2.gz ZJTULBWLDAUMEG-KBPBESRZSA-N 0 3 268.360 3.439 20 30 CGEDHN C#C[C@@H](C)N(C)Cc1ccccc1N1CCCCC1 ZINC000775179813 628069344 /nfs/dbraw/zinc/06/93/44/628069344.db2.gz RROXTLTWQSPIJB-OAHLLOKOSA-N 0 3 256.393 3.130 20 30 CGEDHN C#C[C@H](N[C@@H](C)c1cc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000775571859 628109303 /nfs/dbraw/zinc/10/93/03/628109303.db2.gz LTCVBFQJYFTTSM-QEJZJMRPSA-N 0 3 289.444 3.458 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1Cl)C1CCCC1 ZINC000775612262 628114237 /nfs/dbraw/zinc/11/42/37/628114237.db2.gz CKXANRWITCTGGG-MRXNPFEDSA-N 0 3 295.785 3.390 20 30 CGEDHN C#C[C@H](NCCSc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775791629 628137600 /nfs/dbraw/zinc/13/76/00/628137600.db2.gz NDAGACOKFRPDKB-GJZGRUSLSA-N 0 3 295.835 3.203 20 30 CGEDHN C=C(C)CCOC(=O)C(C)(C)N(C)C1CCCC1 ZINC000778656401 628363930 /nfs/dbraw/zinc/36/39/30/628363930.db2.gz NCPDBZPZOGGTLS-UHFFFAOYSA-N 0 3 253.386 3.149 20 30 CGEDHN C#CCCCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000779937317 628444200 /nfs/dbraw/zinc/44/42/00/628444200.db2.gz SDCIUUSVQMEXNL-UHFFFAOYSA-N 0 3 290.451 3.047 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(n2cccn2)CC1 ZINC000782181801 628620410 /nfs/dbraw/zinc/62/04/10/628620410.db2.gz YGCXBSGSHLRLMY-CQSZACIVSA-N 0 3 280.375 3.153 20 30 CGEDHN C[C@H]1C[C@H](NCc2ccc(C#N)cn2)c2c1c(F)ccc2O ZINC000783293844 628699740 /nfs/dbraw/zinc/69/97/40/628699740.db2.gz JWYXPSXAOMZZSA-HZMBPMFUSA-N 0 3 297.333 3.136 20 30 CGEDHN C=CCN1CCC(NC(=O)N2CCCC2(CC)CC)CC1 ZINC000875248472 634684916 /nfs/dbraw/zinc/68/49/16/634684916.db2.gz PVCKYKDPCUSZGI-UHFFFAOYSA-N 0 3 293.455 3.001 20 30 CGEDHN C#CCN[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000787995188 629038079 /nfs/dbraw/zinc/03/80/79/629038079.db2.gz OEOCPBSFBVXFSL-JKSUJKDBSA-N 0 3 294.801 3.226 20 30 CGEDHN CSC1(C(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000789336370 629124904 /nfs/dbraw/zinc/12/49/04/629124904.db2.gz PNNMLOUCACCPDY-SECBINFHSA-N 0 3 288.397 3.368 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@H]2C(C)=CCC[C@@H]2C)n1 ZINC000789761835 629166140 /nfs/dbraw/zinc/16/61/40/629166140.db2.gz LAYCLUXJMCPLGX-WMZOPIPTSA-N 0 3 285.435 3.331 20 30 CGEDHN CC[C@@H](C)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000790182575 629189684 /nfs/dbraw/zinc/18/96/84/629189684.db2.gz DUKARZQEBUJHNB-HIFRSBDPSA-N 0 3 251.418 3.159 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000862445631 629379633 /nfs/dbraw/zinc/37/96/33/629379633.db2.gz YNKSMRGMAJOIKK-CQSZACIVSA-N 0 3 266.344 3.187 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ccnn2-c2ccccc2C)C1 ZINC000862448552 629380868 /nfs/dbraw/zinc/38/08/68/629380868.db2.gz ZURZAFFPXQUEIO-INIZCTEOSA-N 0 3 279.387 3.026 20 30 CGEDHN Cc1cc(NN=C(CC(C)C)c2ccncc2)ccn1 ZINC000863161201 629486279 /nfs/dbraw/zinc/48/62/79/629486279.db2.gz YZLRDSBGVVWTAC-UHFFFAOYSA-N 0 3 268.364 3.069 20 30 CGEDHN FC(F)(F)CCNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000794547177 629553894 /nfs/dbraw/zinc/55/38/94/629553894.db2.gz ZYCYTEQGNAEXTA-ZDUSSCGKSA-N 0 3 291.361 3.313 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CSC[C@@H]2C)c([O-])c1 ZINC000794675429 629564885 /nfs/dbraw/zinc/56/48/85/629564885.db2.gz BBUYDNICIULCRR-ALPQEUJLSA-N 0 3 292.448 3.409 20 30 CGEDHN Cc1ccccc1[C@H](O)C1CCN(CCCC#N)CC1 ZINC000796409450 629777604 /nfs/dbraw/zinc/77/76/04/629777604.db2.gz ZSYUOIFEZYFFKY-QGZVFWFLSA-N 0 3 272.392 3.044 20 30 CGEDHN C=CCN1CC[C@H](N(C)CCCCCCCC)C1=O ZINC000799177362 630153220 /nfs/dbraw/zinc/15/32/20/630153220.db2.gz MSGZCQHZDDZKTR-HNNXBMFYSA-N 0 3 266.429 3.066 20 30 CGEDHN Cc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1C#N ZINC000799307150 630165123 /nfs/dbraw/zinc/16/51/23/630165123.db2.gz FBMUQDIFRVTYGP-UHFFFAOYSA-N 0 3 293.370 3.181 20 30 CGEDHN C=CC[C@@H](CC)NCc1cccnc1Br ZINC000865552562 630184918 /nfs/dbraw/zinc/18/49/18/630184918.db2.gz BTUVFLMMDOKAGZ-LLVKDONJSA-N 0 3 269.186 3.288 20 30 CGEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1CCc2ccccc21 ZINC000865626464 630232099 /nfs/dbraw/zinc/23/20/99/630232099.db2.gz RBHDSYJVFFMANZ-GOSISDBHSA-N 0 3 291.398 3.401 20 30 CGEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000800384938 630270448 /nfs/dbraw/zinc/27/04/48/630270448.db2.gz NJAZZUTZWOQYBF-UKRRQHHQSA-N 0 3 286.375 3.469 20 30 CGEDHN C[C@H](C#N)OCCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000801916020 630365728 /nfs/dbraw/zinc/36/57/28/630365728.db2.gz QEAPDWOIZZKQIO-UKRRQHHQSA-N 0 3 292.810 3.276 20 30 CGEDHN C[C@H](C#N)OCCN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000801924498 630367575 /nfs/dbraw/zinc/36/75/75/630367575.db2.gz PUXIAZHTXUYSIL-XJKCOSOUSA-N 0 3 276.355 3.137 20 30 CGEDHN CC(C)(C)OC1CCC(NCc2nc(C#N)cs2)CC1 ZINC000865699081 630387068 /nfs/dbraw/zinc/38/70/68/630387068.db2.gz YMSNVZNCTGQEMW-UHFFFAOYSA-N 0 3 293.436 3.231 20 30 CGEDHN N#Cc1ccc(OCCCN2CCCc3occc3C2)cc1 ZINC000808796893 630679188 /nfs/dbraw/zinc/67/91/88/630679188.db2.gz FAOOZRZLTHPTIR-UHFFFAOYSA-N 0 3 296.370 3.369 20 30 CGEDHN CC1(C)C[C@@H](NCC2(C#N)CCCC2)C(C)(C)O1 ZINC000809579552 630755115 /nfs/dbraw/zinc/75/51/15/630755115.db2.gz ZOJZZMKJKBCXEM-GFCCVEGCSA-N 0 3 250.386 3.006 20 30 CGEDHN C#Cc1ccc(CN[C@@H](CC=C)c2ccncc2)cc1 ZINC000809621204 630764885 /nfs/dbraw/zinc/76/48/85/630764885.db2.gz XFDYYYMTRSWHKD-SFHVURJKSA-N 0 3 262.356 3.470 20 30 CGEDHN C#C[C@H](NCc1ccc(OCC)c(OCC)c1)C(C)C ZINC000809684761 630780885 /nfs/dbraw/zinc/78/08/85/630780885.db2.gz MQKLISBKGDKUAQ-HNNXBMFYSA-N 0 3 275.392 3.231 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(C)c(OC(F)F)c(C)c1 ZINC000809685993 630782228 /nfs/dbraw/zinc/78/22/28/630782228.db2.gz GEHMQBLMAVIIEO-ZDUSSCGKSA-N 0 3 267.319 3.406 20 30 CGEDHN C#CCN(Cc1ccccc1)Cc1ccccc1O ZINC000809717081 630789413 /nfs/dbraw/zinc/78/94/13/630789413.db2.gz WTOXOMYYZKIWCX-UHFFFAOYSA-N 0 3 251.329 3.028 20 30 CGEDHN C#CCN(CCc1ccc(F)cc1Cl)C1CC1 ZINC000811490952 631074847 /nfs/dbraw/zinc/07/48/47/631074847.db2.gz WPQAQPYCSBQQJQ-UHFFFAOYSA-N 0 3 251.732 3.119 20 30 CGEDHN C#C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000811505462 631077053 /nfs/dbraw/zinc/07/70/53/631077053.db2.gz MEODODQMXNUOPD-CQSZACIVSA-N 0 3 280.293 3.324 20 30 CGEDHN C#CCOc1ccccc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000811513277 631079958 /nfs/dbraw/zinc/07/99/58/631079958.db2.gz FQXZRXFXKFYLPN-KRWDZBQOSA-N 0 3 269.388 3.319 20 30 CGEDHN C=CC[C@@H](C)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000878711650 635613273 /nfs/dbraw/zinc/61/32/73/635613273.db2.gz MKJMJLPLQIWBOF-DYVFJYSZSA-N 0 3 271.360 3.061 20 30 CGEDHN C=CC[C@H](C)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000878711652 635614116 /nfs/dbraw/zinc/61/41/16/635614116.db2.gz MKJMJLPLQIWBOF-SUMWQHHRSA-N 0 3 271.360 3.061 20 30 CGEDHN N#CC1CCN(C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815029007 631704940 /nfs/dbraw/zinc/70/49/40/631704940.db2.gz LGNALFNCKDCAOE-SFHVURJKSA-N 0 3 280.371 3.109 20 30 CGEDHN C=CCOCCN1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000815057269 631708976 /nfs/dbraw/zinc/70/89/76/631708976.db2.gz NBXYCMZPKOZORW-KRWDZBQOSA-N 0 3 288.435 3.017 20 30 CGEDHN C[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)(F)F ZINC000816045779 631866644 /nfs/dbraw/zinc/86/66/44/631866644.db2.gz XBWOCMWHFUSZEJ-UWVGGRQHSA-N 0 3 289.285 3.097 20 30 CGEDHN C#CCN(C)CCCNC(=O)[C@H](CC)CC1CCCCC1 ZINC000818588883 632338558 /nfs/dbraw/zinc/33/85/58/632338558.db2.gz IHVOETIZMOSUIE-QGZVFWFLSA-N 0 3 292.467 3.054 20 30 CGEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@](C)(O)c1ccccc1 ZINC000822521248 632957520 /nfs/dbraw/zinc/95/75/20/632957520.db2.gz ZADZWNKWUOLWLQ-GOSISDBHSA-N 0 3 298.361 3.037 20 30 CGEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000822972802 633044265 /nfs/dbraw/zinc/04/42/65/633044265.db2.gz NRCCSMYRPBELFC-ZDUSSCGKSA-N 0 3 286.202 3.370 20 30 CGEDHN CN(CC#Cc1ccc(F)cc1)Cc1ccccc1O ZINC000121138502 633209276 /nfs/dbraw/zinc/20/92/76/633209276.db2.gz SPCZCRPPZRHUBM-UHFFFAOYSA-N 0 3 269.319 3.015 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000876607237 634866930 /nfs/dbraw/zinc/86/69/30/634866930.db2.gz JWZZRMQZKZRIGE-FZMZJTMJSA-N 0 3 298.789 3.205 20 30 CGEDHN C#CCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000826862092 633438574 /nfs/dbraw/zinc/43/85/74/633438574.db2.gz UEODLZOYJOZFCB-INIZCTEOSA-N 0 3 282.387 3.214 20 30 CGEDHN C=CCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000826915893 633443954 /nfs/dbraw/zinc/44/39/54/633443954.db2.gz YNAQBHFDEPPEBS-UHFFFAOYSA-N 0 3 270.170 3.129 20 30 CGEDHN C=CCCCCCCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000827073026 633454698 /nfs/dbraw/zinc/45/46/98/633454698.db2.gz ZOZUTZBGXHCEOO-INIZCTEOSA-N 0 3 295.471 3.249 20 30 CGEDHN C#C[C@H](NCc1c(Cl)cccc1CC)C1CCOCC1 ZINC000827560583 633498514 /nfs/dbraw/zinc/49/85/14/633498514.db2.gz SADNMOXOHRJFNX-KRWDZBQOSA-N 0 3 291.822 3.420 20 30 CGEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000870907014 633668869 /nfs/dbraw/zinc/66/88/69/633668869.db2.gz OROXNPPCMFWKOX-QGZVFWFLSA-N 0 3 286.419 3.042 20 30 CGEDHN C#CC[C@@H]1CCCN(Cc2cc(F)ccc2OC)C1 ZINC000829775071 633781061 /nfs/dbraw/zinc/78/10/61/633781061.db2.gz XWDYJMXMELMUDG-CYBMUJFWSA-N 0 3 261.340 3.070 20 30 CGEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000829778450 633782684 /nfs/dbraw/zinc/78/26/84/633782684.db2.gz CFTFWALUWXAOKE-IRXDYDNUSA-N 0 3 298.430 3.366 20 30 CGEDHN C#CCCCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872048471 633971642 /nfs/dbraw/zinc/97/16/42/633971642.db2.gz JQPPWCLECYROOZ-LLVKDONJSA-N 0 3 264.300 3.188 20 30 CGEDHN Cc1cc(F)ccc1[C@H]1CCCN1CCO[C@H](C)C#N ZINC000832524721 634070482 /nfs/dbraw/zinc/07/04/82/634070482.db2.gz RCBLGVWNKABJJR-CZUORRHYSA-N 0 3 276.355 3.200 20 30 CGEDHN C=C(CC)CN(C)C[C@@H](O)c1ccccc1Br ZINC000832680600 634080690 /nfs/dbraw/zinc/08/06/90/634080690.db2.gz TZNOMZGEMMALEA-CQSZACIVSA-N 0 3 298.224 3.381 20 30 CGEDHN CC(C)(C)c1ccc(CNC[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000872234487 634085699 /nfs/dbraw/zinc/08/56/99/634085699.db2.gz SZYGVRDHUDBLQU-MRXNPFEDSA-N 0 3 298.386 3.272 20 30 CGEDHN C=CCC[C@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000834902529 634279026 /nfs/dbraw/zinc/27/90/26/634279026.db2.gz CKCOIIYJJXSUJN-HIFRSBDPSA-N 0 3 263.381 3.068 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC(C)C)c1 ZINC000835063973 634343096 /nfs/dbraw/zinc/34/30/96/634343096.db2.gz SNYCTAMUJISLSA-OAHLLOKOSA-N 0 3 286.375 3.469 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CCCC)cc1 ZINC000876548054 634854739 /nfs/dbraw/zinc/85/47/39/634854739.db2.gz RWEZNQLOJVJWIE-CQSZACIVSA-N 0 3 280.799 3.438 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1C ZINC000876590874 634863238 /nfs/dbraw/zinc/86/32/38/634863238.db2.gz FVRDDXOABNKBIY-GJZGRUSLSA-N 0 3 292.810 3.128 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)ccc1NC(C)C ZINC000876729916 634887836 /nfs/dbraw/zinc/88/78/36/634887836.db2.gz APUNJKFHUFXFEW-LLVKDONJSA-N 0 3 299.777 3.054 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000876970395 634941242 /nfs/dbraw/zinc/94/12/42/634941242.db2.gz QIROLPDVQQZWQN-OAHLLOKOSA-N 0 3 290.794 3.445 20 30 CGEDHN CCc1ccc(N(CC2CC2)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000877144839 635001077 /nfs/dbraw/zinc/00/10/77/635001077.db2.gz XSFFLRCZHBQRJA-KRWDZBQOSA-N 0 3 299.418 3.013 20 30 CGEDHN C[C@H](CCC1CC1)NCc1cc(C#N)cnc1Cl ZINC000877399687 635035360 /nfs/dbraw/zinc/03/53/60/635035360.db2.gz PRXWZNYUGTZSDM-SNVBAGLBSA-N 0 3 263.772 3.275 20 30 CGEDHN Cc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000877483414 635055132 /nfs/dbraw/zinc/05/51/32/635055132.db2.gz VCKMWHQWKIBQGQ-KRWDZBQOSA-N 0 3 278.355 3.349 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)NCc1ncc(Cl)n1C ZINC000840972125 635098249 /nfs/dbraw/zinc/09/82/49/635098249.db2.gz ZEVZTPKKBKVSLY-CQSZACIVSA-N 0 3 289.810 3.351 20 30 CGEDHN N#Cc1cnc(Cl)c(CNCCC2CC(F)(F)C2)c1 ZINC000877577931 635100211 /nfs/dbraw/zinc/10/02/11/635100211.db2.gz NVRIYZUYZJBYHP-UHFFFAOYSA-N 0 3 285.725 3.132 20 30 CGEDHN C#CCCCCCCN[C@@H](CO)c1ccc(F)cc1F ZINC000877640811 635127183 /nfs/dbraw/zinc/12/71/83/635127183.db2.gz SNGXMSCWIXQQRP-INIZCTEOSA-N 0 3 281.346 3.172 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1cncc(Cl)c1 ZINC000877703891 635155948 /nfs/dbraw/zinc/15/59/48/635155948.db2.gz BJLDBGHDWPHCDQ-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN CN(CCc1cccc(C#N)c1)Cc1ccc(Cl)nc1 ZINC000877704507 635156546 /nfs/dbraw/zinc/15/65/46/635156546.db2.gz PJBBJJUCWFLEKO-UHFFFAOYSA-N 0 3 285.778 3.281 20 30 CGEDHN C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755892 635183839 /nfs/dbraw/zinc/18/38/39/635183839.db2.gz RGUIBNRKHKYBAO-ZIAGYGMSSA-N 0 3 288.391 3.142 20 30 CGEDHN CC(=O)[C@@](C#N)(CCN(C)CC(C)(C)C)c1ccccc1 ZINC000878038534 635333651 /nfs/dbraw/zinc/33/36/51/635333651.db2.gz LWMMLAQHTFUQHM-SFHVURJKSA-N 0 3 286.419 3.405 20 30 CGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC3(CCC3)C2)c1 ZINC000842687590 635441640 /nfs/dbraw/zinc/44/16/40/635441640.db2.gz ZNVATWHEALDVEI-HNNXBMFYSA-N 0 3 296.370 3.223 20 30 CGEDHN C#CCCCCCNC(C)(C)c1ncc(C)s1 ZINC000878417305 635499563 /nfs/dbraw/zinc/49/95/63/635499563.db2.gz IYTJMBJGZXZDGD-UHFFFAOYSA-N 0 3 250.411 3.470 20 30 CGEDHN C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1[O-] ZINC000879649235 635826291 /nfs/dbraw/zinc/82/62/91/635826291.db2.gz LOUDNBCSVSQQDH-CQSZACIVSA-N 0 3 288.391 3.143 20 30 CGEDHN Cc1cncc([C@H]2CCCN2CCC(C)(C)C#N)c1 ZINC000879749409 635853389 /nfs/dbraw/zinc/85/33/89/635853389.db2.gz HWZKHLKXTGTRCL-OAHLLOKOSA-N 0 3 257.381 3.467 20 30 CGEDHN CCc1ccc(CN2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000880249291 635956968 /nfs/dbraw/zinc/95/69/68/635956968.db2.gz VHNNHNLXQKHEFA-RTBURBONSA-N 0 3 297.446 3.059 20 30 CGEDHN C=CCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878141 636113113 /nfs/dbraw/zinc/11/31/13/636113113.db2.gz UQISDUCPESNKKI-YGRLFVJLSA-N 0 3 281.283 3.041 20 30 CGEDHN C=C(CNCc1c2c(nn1C)CCSC2)c1ccccc1 ZINC000882934912 636468700 /nfs/dbraw/zinc/46/87/00/636468700.db2.gz YAPJBGISYUJQFH-UHFFFAOYSA-N 0 3 299.443 3.012 20 30 CGEDHN C=C(C)C(C)(C)C(=O)OC[C@@H](C)N1CCCCC1 ZINC000847963621 636507470 /nfs/dbraw/zinc/50/74/70/636507470.db2.gz SCAONOOCCBOFAH-CYBMUJFWSA-N 0 3 253.386 3.006 20 30 CGEDHN C#Cc1ccc(CNCc2ccc(OCOCC)cc2)cc1 ZINC000883132651 636551165 /nfs/dbraw/zinc/55/11/65/636551165.db2.gz ZILBATVFAHWSLQ-UHFFFAOYSA-N 0 3 295.382 3.331 20 30 CGEDHN C=CC[C@@H](CO)N[C@@H](CC)c1sccc1Cl ZINC000883215839 636590833 /nfs/dbraw/zinc/59/08/33/636590833.db2.gz GYKYOZBAOPOEKR-ONGXEEELSA-N 0 3 259.802 3.379 20 30 CGEDHN C=CCC[C@H](COc1ccccc1)N[C@@H](C)c1ccn(C)n1 ZINC000883228782 636599704 /nfs/dbraw/zinc/59/97/04/636599704.db2.gz UOMCQHQVXDYWLQ-JKSUJKDBSA-N 0 3 299.418 3.485 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000848924146 636695518 /nfs/dbraw/zinc/69/55/18/636695518.db2.gz OPPQFPLNSJSDRI-OAHLLOKOSA-N 0 3 273.424 3.100 20 30 CGEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OC ZINC000883388783 636731727 /nfs/dbraw/zinc/73/17/27/636731727.db2.gz CFNMVVXHWTVKND-YPMHNXCESA-N 0 3 283.799 3.326 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2COC(C)(C)C2)c([O-])c1 ZINC000849171012 636763708 /nfs/dbraw/zinc/76/37/08/636763708.db2.gz PWBBOIBOLWGZIB-JVVDOCDTSA-N 0 3 290.407 3.225 20 30 CGEDHN C[C@H](N[C@H]1COC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000850460179 637074862 /nfs/dbraw/zinc/07/48/62/637074862.db2.gz SKUZOUSAMUQSOZ-WCQYABFASA-N 0 3 274.339 3.060 20 30 CGEDHN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccc2ccccc2n1 ZINC000850742069 637137404 /nfs/dbraw/zinc/13/74/04/637137404.db2.gz UTJBFWVNBIETSO-CBBWQLFWSA-N 0 3 276.339 3.457 20 30 CGEDHN Cc1n[nH]c(CN[C@@H]2CCCc3cc(C#N)ccc32)c1C ZINC000886149177 637436457 /nfs/dbraw/zinc/43/64/57/637436457.db2.gz IBCZFUMMORKYLR-MRXNPFEDSA-N 0 3 280.375 3.065 20 30 CGEDHN C#CCOCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000851799693 637507962 /nfs/dbraw/zinc/50/79/62/637507962.db2.gz PHNKTFWNEWLJMM-INIZCTEOSA-N 0 3 261.340 3.003 20 30 CGEDHN C#CC[C@H]1CCN([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000886357822 637512207 /nfs/dbraw/zinc/51/22/07/637512207.db2.gz MHPLQTHCBDGRLD-GJZGRUSLSA-N 0 3 295.386 3.451 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000886363745 637514335 /nfs/dbraw/zinc/51/43/35/637514335.db2.gz BFQBOZKHIVDCTC-GFCCVEGCSA-N 0 3 258.752 3.057 20 30 CGEDHN C#CCn1ccc(CN(CC)C[C@@H](CC)CC(F)F)n1 ZINC000851996314 637566643 /nfs/dbraw/zinc/56/66/43/637566643.db2.gz MROGQUXBLDAANS-ZDUSSCGKSA-N 0 3 283.366 3.020 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1cc(F)ccc1F ZINC000852685371 637695908 /nfs/dbraw/zinc/69/59/08/637695908.db2.gz GJGTVMQJEQDXFS-ZENOOKHLSA-N 0 3 279.330 3.181 20 30 CGEDHN CC(C)(C)N1CC[C@@H]1CNc1nc2ccccc2cc1C#N ZINC000853747281 637907900 /nfs/dbraw/zinc/90/79/00/637907900.db2.gz PGILBSXEKKYIAG-OAHLLOKOSA-N 0 3 294.402 3.391 20 30 CGEDHN CCCCCCCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000853901629 637951599 /nfs/dbraw/zinc/95/15/99/637951599.db2.gz GGYGZXOKRQWWFR-HNNXBMFYSA-N 0 3 283.460 3.083 20 30 CGEDHN C=CCC[C@H](N[C@@H]1CCC1(OC)OC)c1ccccc1 ZINC000925581850 638537280 /nfs/dbraw/zinc/53/72/80/638537280.db2.gz WEIRWQGPZSGVMA-JKSUJKDBSA-N 0 3 275.392 3.435 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1csc(C(F)(F)F)c1 ZINC000926153190 638723488 /nfs/dbraw/zinc/72/34/88/638723488.db2.gz MTODDQWEDBISGI-PSASIEDQSA-N 0 3 279.327 3.355 20 30 CGEDHN Cc1nc2c(o1)CCC[C@H]2NCC1CCC(C#N)CC1 ZINC000926357139 638765646 /nfs/dbraw/zinc/76/56/46/638765646.db2.gz TYOKEWKIMGQPFS-JXQTWKCFSA-N 0 3 273.380 3.280 20 30 CGEDHN Cc1cncc([C@H](C)NCc2ccc(C)c(C#N)c2)c1 ZINC000926966596 638829505 /nfs/dbraw/zinc/82/95/05/638829505.db2.gz LHAQGJNDIXMGBF-AWEZNQCLSA-N 0 3 265.360 3.421 20 30 CGEDHN C[C@H](NC[C@@]1(C)CCCCO1)c1ccc(C#N)cc1F ZINC000927022743 638832883 /nfs/dbraw/zinc/83/28/83/638832883.db2.gz SFALMOCFOHEEMH-BLLLJJGKSA-N 0 3 276.355 3.307 20 30 CGEDHN C[C@@H]1C[C@H](CN(CCC#N)CC(C)(C)C)C[C@H](C)O1 ZINC000929692930 638941857 /nfs/dbraw/zinc/94/18/57/638941857.db2.gz MBKSYFLBXLNFPC-FICVDOATSA-N 0 3 266.429 3.452 20 30 CGEDHN C=CCCCCCN(C)Cc1cnn(CCF)c1 ZINC000929694017 638941966 /nfs/dbraw/zinc/94/19/66/638941966.db2.gz HVBBWOQGYFTQDA-UHFFFAOYSA-N 0 3 253.365 3.031 20 30 CGEDHN CC(C)[C@H](CC(F)(F)F)NCc1cncc(C#N)c1 ZINC000930250289 638985916 /nfs/dbraw/zinc/98/59/16/638985916.db2.gz YUEFNXHLCOFLMA-LBPRGKRZSA-N 0 3 271.286 3.020 20 30 CGEDHN CCOC(=O)/C=C\CN[C@@H](CCCC#N)c1ccccc1 ZINC000930571935 639029717 /nfs/dbraw/zinc/02/97/17/639029717.db2.gz ZZXSLCKOGKTSKE-LJEUOOAZSA-N 0 3 286.375 3.130 20 30 CGEDHN CN(CCCOc1ccc(C#N)cc1)Cc1ccco1 ZINC000035701946 639047873 /nfs/dbraw/zinc/04/78/73/639047873.db2.gz WYRXSTGDNVNCNQ-UHFFFAOYSA-N 0 3 270.332 3.052 20 30 CGEDHN C=CCN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H](C)COC ZINC000930932425 639088621 /nfs/dbraw/zinc/08/86/21/639088621.db2.gz KSGVHCJNXJUFSS-AGIUHOORSA-N 0 3 295.345 3.009 20 30 CGEDHN C=CC[C@H]1CC[N@@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000859445531 639143264 /nfs/dbraw/zinc/14/32/64/639143264.db2.gz PVGMALZSEIMKLF-ZDUSSCGKSA-N 0 3 299.370 3.205 20 30 CGEDHN C=CC[C@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000859445531 639143268 /nfs/dbraw/zinc/14/32/68/639143268.db2.gz PVGMALZSEIMKLF-ZDUSSCGKSA-N 0 3 299.370 3.205 20 30 CGEDHN C=CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000117881476 639482107 /nfs/dbraw/zinc/48/21/07/639482107.db2.gz TWXWJVNFHMJBFF-MRXNPFEDSA-N 0 3 275.392 3.339 20 30 CGEDHN C=CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000117881476 639482110 /nfs/dbraw/zinc/48/21/10/639482110.db2.gz TWXWJVNFHMJBFF-MRXNPFEDSA-N 0 3 275.392 3.339 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](Cc3nccs3)C2)cc1C#N ZINC000934332260 639586515 /nfs/dbraw/zinc/58/65/15/639586515.db2.gz QMCZMRNHPKEXTN-HNNXBMFYSA-N 0 3 297.427 3.388 20 30 CGEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000934650534 639651256 /nfs/dbraw/zinc/65/12/56/639651256.db2.gz KPVZIZJBUKNPDM-CQSZACIVSA-N 0 3 285.391 3.173 20 30 CGEDHN N#CC(C(=O)CCc1c[nH]c2ccccc12)c1ccccn1 ZINC000041493661 639904010 /nfs/dbraw/zinc/90/40/10/639904010.db2.gz XOOUHRLWCXQLFH-OAHLLOKOSA-N 0 3 289.338 3.372 20 30 CGEDHN CCCCCCCN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246092401 640656715 /nfs/dbraw/zinc/65/67/15/640656715.db2.gz HEYQKUFGIIFEDZ-HUUCEWRRSA-N 0 3 289.485 3.244 20 30 CGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305072309 640877938 /nfs/dbraw/zinc/87/79/38/640877938.db2.gz PELMYGSQEIHYAC-LJQANCHMSA-N 0 3 292.382 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001015215625 640978035 /nfs/dbraw/zinc/97/80/35/640978035.db2.gz MAPQWZHVZRMJIR-MRXNPFEDSA-N 0 3 278.440 3.114 20 30 CGEDHN N#Cc1ccc(C2=CCCN(Cc3ccccc3)C2)nc1 ZINC001250460775 805630279 /nfs/dbraw/zinc/63/02/79/805630279.db2.gz JPPHHSFBYLUSRU-UHFFFAOYSA-N 0 3 275.355 3.243 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCCCCCC ZINC001156548714 805714591 /nfs/dbraw/zinc/71/45/91/805714591.db2.gz CJIONKXFDXTDCE-MRXNPFEDSA-N 0 3 280.456 3.197 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCC1CCCCC1 ZINC001156712539 805727333 /nfs/dbraw/zinc/72/73/33/805727333.db2.gz WYSMQHPRAPWVIG-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=C[C@@H](NC[C@H](O)c1cccc(OC)c1)c1ccccc1 ZINC001250741485 805768869 /nfs/dbraw/zinc/76/88/69/805768869.db2.gz KYFRWXYQXMHRQO-MSOLQXFVSA-N 0 3 283.371 3.246 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CC[C@H](C)CC ZINC001158631640 805979783 /nfs/dbraw/zinc/97/97/83/805979783.db2.gz VPHQEAKMOOQWNL-HZPDHXFCSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC12CCCC2 ZINC001158714551 805988377 /nfs/dbraw/zinc/98/83/77/805988377.db2.gz SWWXAYIYBCFVTQ-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C#C[C@](C)(CC)NC(C)(C)c1ccnc(Cl)c1 ZINC001158746497 805996042 /nfs/dbraw/zinc/99/60/42/805996042.db2.gz WZMZEQRYPIOLHG-CQSZACIVSA-N 0 3 250.773 3.362 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CC(N2CCCCC2)C1 ZINC001252130335 806015345 /nfs/dbraw/zinc/01/53/45/806015345.db2.gz OOMLLMHFXNPDFL-SFHVURJKSA-N 0 3 296.499 3.268 20 30 CGEDHN CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252134938 806019997 /nfs/dbraw/zinc/01/99/97/806019997.db2.gz UMKCWLQNNOXMAZ-MRXNPFEDSA-N 0 3 295.423 3.299 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1ccoc1 ZINC001252134349 806020567 /nfs/dbraw/zinc/02/05/67/806020567.db2.gz PNZASRALACDIAY-OAHLLOKOSA-N 0 3 253.386 3.481 20 30 CGEDHN CCCCCCCC[C@H](O)CNCc1cccc(OC)n1 ZINC001252141243 806025008 /nfs/dbraw/zinc/02/50/08/806025008.db2.gz XQDZBNLGAKFYRS-INIZCTEOSA-N 0 3 294.439 3.291 20 30 CGEDHN C=C[C@@](C)(O)CN1CCC[C@H]1c1ccc(F)cc1F ZINC001252558166 806063943 /nfs/dbraw/zinc/06/39/43/806063943.db2.gz NBBOTXVQQCRISY-LSDHHAIUSA-N 0 3 267.319 3.039 20 30 CGEDHN C=C[C@](C)(O)CN[C@H](c1ccccc1)c1cccc(OC)c1 ZINC001252582867 806075447 /nfs/dbraw/zinc/07/54/47/806075447.db2.gz XZWLBFRWGZHXTD-MOPGFXCFSA-N 0 3 297.398 3.311 20 30 CGEDHN C=CCC[C@H](O)CNCc1cc(C(F)(F)F)ccc1F ZINC001252614463 806089490 /nfs/dbraw/zinc/08/94/90/806089490.db2.gz JWJOEJWMVSLMMB-LBPRGKRZSA-N 0 3 291.288 3.261 20 30 CGEDHN C=CCC[C@@H](O)CN[C@H]1CCOc2ccc(Cl)cc21 ZINC001252624367 806093933 /nfs/dbraw/zinc/09/39/33/806093933.db2.gz DDUHUMLXGHNQEY-OCCSQVGLSA-N 0 3 281.783 3.080 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@H](C)CCC)CC1 ZINC001159500054 806113610 /nfs/dbraw/zinc/11/36/10/806113610.db2.gz SSIUCFFXRPMGCW-OAHLLOKOSA-N 0 3 278.440 3.137 20 30 CGEDHN C=CCCCCCC[C@H](O)CNCc1cccnc1OC ZINC001253248426 806195330 /nfs/dbraw/zinc/19/53/30/806195330.db2.gz VMAHGQUVJQKKKL-INIZCTEOSA-N 0 3 292.423 3.067 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001160221641 806238233 /nfs/dbraw/zinc/23/82/33/806238233.db2.gz ICZZQSFRXHZOIW-RDJZCZTQSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C[C@@H](O)CN1CCC[C@@H]1c1ccccc1Br ZINC001253567351 806260566 /nfs/dbraw/zinc/26/05/66/806260566.db2.gz NBPJEEVSJMZDSW-BXUZGUMPSA-N 0 3 296.208 3.133 20 30 CGEDHN C=C[C@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253582591 806263800 /nfs/dbraw/zinc/26/38/00/806263800.db2.gz QOJPPGXQETZVTF-KBPBESRZSA-N 0 3 251.757 3.024 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)C(CC)CC)CC1 ZINC001160550764 806283978 /nfs/dbraw/zinc/28/39/78/806283978.db2.gz CWWIWQILMHTJAE-OAHLLOKOSA-N 0 3 292.467 3.383 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)C2(CCC)CCC2)CC1 ZINC001160946605 806325940 /nfs/dbraw/zinc/32/59/40/806325940.db2.gz KWXXPPSNIYFUTB-UHFFFAOYSA-N 0 3 290.451 3.281 20 30 CGEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCC[C@@H]1CCC ZINC001161419442 806375571 /nfs/dbraw/zinc/37/55/71/806375571.db2.gz LUJNJCRIRJRLKD-KBPBESRZSA-N 0 3 286.847 3.051 20 30 CGEDHN C=CCN(CC=C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254558217 806449276 /nfs/dbraw/zinc/44/92/76/806449276.db2.gz DTHJRMYVUSTOIW-CYBMUJFWSA-N 0 3 260.337 3.200 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCSC[C@@H]2c2ccccc2)C1 ZINC001254669872 806479632 /nfs/dbraw/zinc/47/96/32/806479632.db2.gz WMEDPKHNYFMIDL-VNQPRFMTSA-N 0 3 272.417 3.469 20 30 CGEDHN Cc1ccc([C@@H]2CCCN2[C@@H]2CC[C@H](C#N)C2)cn1 ZINC001254672463 806481514 /nfs/dbraw/zinc/48/15/14/806481514.db2.gz BKXRYDYCXUDJGA-IMJJTQAJSA-N 0 3 255.365 3.219 20 30 CGEDHN CN1CCC[C@@](C)(Nc2nc(Cl)c(Cl)cc2C#N)C1 ZINC001162341833 806557896 /nfs/dbraw/zinc/55/78/96/806557896.db2.gz PDMVUNHPAKGTNE-CYBMUJFWSA-N 0 3 299.205 3.156 20 30 CGEDHN CC[C@H](CC#N)NCC1(Cc2ccccc2)CCOCC1 ZINC001255160476 806560314 /nfs/dbraw/zinc/56/03/14/806560314.db2.gz KPJHBUIEWYTGLY-QGZVFWFLSA-N 0 3 286.419 3.308 20 30 CGEDHN C#CC1(Nc2ccc(CN3CCCC3)cn2)CCCCC1 ZINC001162479945 806596282 /nfs/dbraw/zinc/59/62/82/806596282.db2.gz QNMMWWQFWIBVIN-UHFFFAOYSA-N 0 3 283.419 3.425 20 30 CGEDHN CN1CCC[C@H](N(CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001255490419 806650432 /nfs/dbraw/zinc/65/04/32/806650432.db2.gz VNGKRZJJGAKQNW-INIZCTEOSA-N 0 3 291.826 3.150 20 30 CGEDHN N#Cc1ccc(CNCc2cccc3c2NCCC3)cc1 ZINC000159376597 799072729 /nfs/dbraw/zinc/07/27/29/799072729.db2.gz QAVQIFUPWMEBTE-UHFFFAOYSA-N 0 3 277.371 3.206 20 30 CGEDHN COc1ccc(N[C@@H]2CNCc3ccsc32)c(CC#N)c1 ZINC001163230508 806729684 /nfs/dbraw/zinc/72/96/84/806729684.db2.gz XPRXXYAMJZGHKC-OAHLLOKOSA-N 0 3 299.399 3.079 20 30 CGEDHN Cc1ccc(C[C@@H](C)NC(=N)c2ccc(Cl)cn2)cc1 ZINC001255775402 806746025 /nfs/dbraw/zinc/74/60/25/806746025.db2.gz WRCGZBYTWQFTQJ-GFCCVEGCSA-N 0 3 287.794 3.380 20 30 CGEDHN C#C[C@@H](CC)NCc1cc(C)cc(Br)c1 ZINC000389901108 799466879 /nfs/dbraw/zinc/46/68/79/799466879.db2.gz CCESSZHPHWICFE-ZDUSSCGKSA-N 0 3 266.182 3.259 20 30 CGEDHN C#C[C@@H](NCc1cnc2ccccc2c1)C(C)(C)C ZINC000702314893 799908297 /nfs/dbraw/zinc/90/82/97/799908297.db2.gz QADHCRXTWIQBHQ-MRXNPFEDSA-N 0 3 252.361 3.372 20 30 CGEDHN C=CCCC(C)(C)CNCc1nc(Br)c[nH]1 ZINC000704023673 799934880 /nfs/dbraw/zinc/93/48/80/799934880.db2.gz PYUKDRVUHUSLNJ-UHFFFAOYSA-N 0 3 286.217 3.254 20 30 CGEDHN C=CCCC(C)(C)NCc1c(Cl)c(C)nn1C ZINC000717945987 800208090 /nfs/dbraw/zinc/20/80/90/800208090.db2.gz RULWLPKPNYXXCF-UHFFFAOYSA-N 0 3 255.793 3.216 20 30 CGEDHN COC(C)(C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC000932371329 800658793 /nfs/dbraw/zinc/65/87/93/800658793.db2.gz WMPBNLMSHBIXBB-GFCCVEGCSA-N 0 3 265.784 3.095 20 30 CGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001024294091 800723358 /nfs/dbraw/zinc/72/33/58/800723358.db2.gz BENBNXBGRXOUCN-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001024312405 800725092 /nfs/dbraw/zinc/72/50/92/800725092.db2.gz JGHFRYFPOOUWBX-QGZVFWFLSA-N 0 3 286.419 3.155 20 30 CGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024333758 800726102 /nfs/dbraw/zinc/72/61/02/800726102.db2.gz UBSGOTPCENXWBN-LBPRGKRZSA-N 0 3 296.798 3.093 20 30 CGEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001024430224 800728494 /nfs/dbraw/zinc/72/84/94/800728494.db2.gz VSDPTCOOPFBELY-AWEZNQCLSA-N 0 3 292.448 3.217 20 30 CGEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024503610 800729767 /nfs/dbraw/zinc/72/97/67/800729767.db2.gz ADTOQOJSRANJJK-JKSUJKDBSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccccc1CC ZINC001028100460 800832137 /nfs/dbraw/zinc/83/21/37/800832137.db2.gz FEEJQINRNCMTPL-INIZCTEOSA-N 0 3 286.419 3.019 20 30 CGEDHN CC(C)CC[C@@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001256354717 806863749 /nfs/dbraw/zinc/86/37/49/806863749.db2.gz NQPPTXSBQMPUJU-SNVBAGLBSA-N 0 3 253.777 3.265 20 30 CGEDHN C=C(C)CCN1CCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001028347335 800844020 /nfs/dbraw/zinc/84/40/20/800844020.db2.gz SNFAFUYQSTZHLU-GFCCVEGCSA-N 0 3 296.411 3.048 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033679005 800973811 /nfs/dbraw/zinc/97/38/11/800973811.db2.gz RNQQQOOQVZWCNS-AEFFLSMTSA-N 0 3 290.451 3.232 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001038940496 801137843 /nfs/dbraw/zinc/13/78/43/801137843.db2.gz ZFPZLKBAUHOPOG-GOSISDBHSA-N 0 3 296.414 3.026 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001039326613 801157781 /nfs/dbraw/zinc/15/77/81/801157781.db2.gz FREURUBMJVSMDA-SJORKVTESA-N 0 3 298.430 3.250 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCC1 ZINC001039352580 801159137 /nfs/dbraw/zinc/15/91/37/801159137.db2.gz CXSNJXOYEJGKRJ-SJORKVTESA-N 0 3 290.451 3.208 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C)CCCCC3)C[C@H]21 ZINC001042217270 801203662 /nfs/dbraw/zinc/20/36/62/801203662.db2.gz WMALXBFLPIPYTB-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@@H]21 ZINC001042339996 801204447 /nfs/dbraw/zinc/20/44/47/801204447.db2.gz DADUWXQEXLYVPS-WMZOPIPTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(C)c3C)C[C@@H]21 ZINC001042339476 801204912 /nfs/dbraw/zinc/20/49/12/801204912.db2.gz XCZSNYPOBDIIBC-WMZOPIPTSA-N 0 3 298.430 3.026 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046864423 801331130 /nfs/dbraw/zinc/33/11/30/801331130.db2.gz SNFMAFXFIVGRSQ-JTTJXQCZSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CCN1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2C1 ZINC001054253555 801482664 /nfs/dbraw/zinc/48/26/64/801482664.db2.gz CMULXIDEWRCPBY-RDTXWAMCSA-N 0 3 298.430 3.241 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071390518 801531578 /nfs/dbraw/zinc/53/15/78/801531578.db2.gz BJSDSUHWLSPMQO-DOTOQJQBSA-N 0 3 290.451 3.422 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(Cl)o2)CC[C@@H]1C ZINC001071352172 801532739 /nfs/dbraw/zinc/53/27/39/801532739.db2.gz NQFMDWIJHCPVLM-RYUDHWBXSA-N 0 3 296.798 3.092 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)c2ccsc2C)CC[C@@H]1C ZINC001071493307 801540562 /nfs/dbraw/zinc/54/05/62/801540562.db2.gz ACXZQGALWREUAX-GXTWGEPZSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C23CCC(CC2)C3)CC[C@@H]1C ZINC001071612837 801543194 /nfs/dbraw/zinc/54/31/94/801543194.db2.gz NZZYVFGQUXQBSH-UERKLNTKSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C2(C3CC3)CCC2)CC[C@@H]1C ZINC001071709016 801546986 /nfs/dbraw/zinc/54/69/86/801546986.db2.gz PMZGXWJIIIYIFF-GOEBONIOSA-N 0 3 290.451 3.112 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085828784 801707740 /nfs/dbraw/zinc/70/77/40/801707740.db2.gz DZLFABXNTULCMZ-BRWVUGGUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085943325 801712466 /nfs/dbraw/zinc/71/24/66/801712466.db2.gz FGLLXAHAOMUMMX-QGZVFWFLSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085941889 801712595 /nfs/dbraw/zinc/71/25/95/801712595.db2.gz SIYWYZJPAMTFJJ-QGZVFWFLSA-N 0 3 286.419 3.108 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001085990032 801717657 /nfs/dbraw/zinc/71/76/57/801717657.db2.gz FWEPSNPGVZRLNK-CVEARBPZSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C=C(C)C)C1 ZINC001088253415 801777152 /nfs/dbraw/zinc/77/71/52/801777152.db2.gz QJILDQXKVFHONK-AWEZNQCLSA-N 0 3 284.831 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC001089017724 801815510 /nfs/dbraw/zinc/81/55/10/801815510.db2.gz SIFGPLBIQVYOLT-WBVHZDCISA-N 0 3 286.419 3.072 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089627296 801846000 /nfs/dbraw/zinc/84/60/00/801846000.db2.gz WVBRHVCSQGNEMK-HUUCEWRRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001089690724 801848757 /nfs/dbraw/zinc/84/87/57/801848757.db2.gz DBBLOTTWSIIRCV-BZUAXINKSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCCCCC1)C2 ZINC001096999168 801897033 /nfs/dbraw/zinc/89/70/33/801897033.db2.gz RTIZUBVBSDNNBF-ZACQAIPSSA-N 0 3 288.435 3.175 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001099360553 801936037 /nfs/dbraw/zinc/93/60/37/801936037.db2.gz YPNPXSUJHOXSNM-GDBMZVCRSA-N 0 3 292.467 3.215 20 30 CGEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102264670 802005387 /nfs/dbraw/zinc/00/53/87/802005387.db2.gz VBSSSEAOUASBDF-XQIWKARSSA-N 0 3 298.858 3.025 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109679345 802122726 /nfs/dbraw/zinc/12/27/26/802122726.db2.gz XEOVYZOSTZCVRV-MUQADHOPSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110933314 802149835 /nfs/dbraw/zinc/14/98/35/802149835.db2.gz JKEZHGZQIOLZSO-HZMVEIRTSA-N 0 3 290.451 3.276 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCCC)CC1)C2 ZINC001110986051 802153047 /nfs/dbraw/zinc/15/30/47/802153047.db2.gz FSNNBLVGNIELJU-OAGGEKHMSA-N 0 3 290.451 3.254 20 30 CGEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001111794778 802168814 /nfs/dbraw/zinc/16/88/14/802168814.db2.gz JKXHWYLZWOOIOY-ZVZYQTTQSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001113491082 802227655 /nfs/dbraw/zinc/22/76/55/802227655.db2.gz XSOWKFLNUJUFTM-HNNXBMFYSA-N 0 3 278.440 3.066 20 30 CGEDHN C(=NNC1CCCC1)c1ccc(N2CCCC2)cc1 ZINC001115969578 802289761 /nfs/dbraw/zinc/28/97/61/802289761.db2.gz JDTQXGAJCBTDDT-UHFFFAOYSA-N 0 3 257.381 3.153 20 30 CGEDHN N#CC1(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)CCC1 ZINC001256783984 806977437 /nfs/dbraw/zinc/97/74/37/806977437.db2.gz FQKAOGGIHJVOOJ-HZPDHXFCSA-N 0 3 270.376 3.190 20 30 CGEDHN C=CCN1CCC(N(CCC)C(=O)CCCC#CC)CC1 ZINC001266388426 808254292 /nfs/dbraw/zinc/25/42/92/808254292.db2.gz COKFWASKVSEBJY-UHFFFAOYSA-N 0 3 290.451 3.069 20 30 CGEDHN C[C@@H](CCCC#N)N1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001172490973 808350555 /nfs/dbraw/zinc/35/05/55/808350555.db2.gz BEASDJVFUCURBE-QWHCGFSZSA-N 0 3 282.384 3.095 20 30 CGEDHN N#Cc1cc(NC(=O)C2(NC3CC3)CCC2)ccc1C1CC1 ZINC001119377527 802656650 /nfs/dbraw/zinc/65/66/50/802656650.db2.gz ORNFHHBHVHHHNR-UHFFFAOYSA-N 0 3 295.386 3.049 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC001121866562 802848246 /nfs/dbraw/zinc/84/82/46/802848246.db2.gz BGCIXZGZKUAUOY-IUODEOHRSA-N 0 3 276.380 3.016 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCC=CCCC1 ZINC001123336506 802930341 /nfs/dbraw/zinc/93/03/41/802930341.db2.gz IBQZGFNSGORLMT-NWDGAFQWSA-N 0 3 291.782 3.386 20 30 CGEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CCCCC2)CC1 ZINC001127416385 803140160 /nfs/dbraw/zinc/14/01/60/803140160.db2.gz FJZZKGQHVUZVQM-OAHLLOKOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132244916 803387314 /nfs/dbraw/zinc/38/73/14/803387314.db2.gz KXWZRXCDFMUCDL-ZBFHGGJFSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CC=C(C)C)C1 ZINC001132248592 803387866 /nfs/dbraw/zinc/38/78/66/803387866.db2.gz HAODONQRXZBNSF-CVEARBPZSA-N 0 3 278.440 3.278 20 30 CGEDHN C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCCF)C2)CC1 ZINC001132290581 803391582 /nfs/dbraw/zinc/39/15/82/803391582.db2.gz FJXQULJFWNVJQB-CABCVRRESA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132369423 803397162 /nfs/dbraw/zinc/39/71/62/803397162.db2.gz XDYWBHUNRXSUKC-HOTGVXAUSA-N 0 3 280.456 3.358 20 30 CGEDHN C#CCCN1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@H]1C ZINC001132383944 803399396 /nfs/dbraw/zinc/39/93/96/803399396.db2.gz GNRYOWPIWOQKLF-CVEARBPZSA-N 0 3 292.467 3.195 20 30 CGEDHN N#CCC1CCN(Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138176082 803869494 /nfs/dbraw/zinc/86/94/94/803869494.db2.gz SJVMKICDBJJKMO-UHFFFAOYSA-N 0 3 287.407 3.396 20 30 CGEDHN COc1cc(C)c(CN2CCC[C@H](C#N)CC2)cc1OC ZINC001138442325 803939063 /nfs/dbraw/zinc/93/90/63/803939063.db2.gz LOXQOGZPSLZQST-AWEZNQCLSA-N 0 3 288.391 3.138 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c1[O-] ZINC001138628359 803985414 /nfs/dbraw/zinc/98/54/14/803985414.db2.gz TTXSIIBMDMLUIQ-KRWDZBQOSA-N 0 3 295.386 3.248 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2c2cnccn2)c1[O-] ZINC001138628359 803985422 /nfs/dbraw/zinc/98/54/22/803985422.db2.gz TTXSIIBMDMLUIQ-KRWDZBQOSA-N 0 3 295.386 3.248 20 30 CGEDHN C=CCc1cccc(CN2CCC[C@H]2c2cnccn2)c1O ZINC001138628359 803985423 /nfs/dbraw/zinc/98/54/23/803985423.db2.gz TTXSIIBMDMLUIQ-KRWDZBQOSA-N 0 3 295.386 3.248 20 30 CGEDHN O=C1C=C2CN(Cc3cc(F)ccc3Cl)CCC2S1 ZINC001138672062 803999299 /nfs/dbraw/zinc/99/92/99/803999299.db2.gz PPMAXPYEQIIEPU-CYBMUJFWSA-N 0 3 297.782 3.253 20 30 CGEDHN N#C[C@H]1CCCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716812 804013828 /nfs/dbraw/zinc/01/38/28/804013828.db2.gz ZFDMYSFRTXITED-AWEZNQCLSA-N 0 3 270.376 3.137 20 30 CGEDHN N#CCC1CCN(Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138951119 804078877 /nfs/dbraw/zinc/07/88/77/804078877.db2.gz PKOAIUFKRBSIAR-UHFFFAOYSA-N 0 3 288.782 3.294 20 30 CGEDHN CCCCCCCC[C@H](O)CNc1ccnc(CN)c1 ZINC001245957382 804089350 /nfs/dbraw/zinc/08/93/50/804089350.db2.gz UAXZWUIEYXDOLJ-INIZCTEOSA-N 0 3 279.428 3.064 20 30 CGEDHN Cc1cccc2[nH]cc(CN3CCC(C#N)CC3)c21 ZINC001139191546 804154104 /nfs/dbraw/zinc/15/41/04/804154104.db2.gz WEYMVPKCMPZDQA-UHFFFAOYSA-N 0 3 253.349 3.212 20 30 CGEDHN C=CCN(Cc1c(N)c(OC)ccc1OC)C(C)(C)C ZINC001139279947 804171811 /nfs/dbraw/zinc/17/18/11/804171811.db2.gz ZFSJRBSMCILKOM-UHFFFAOYSA-N 0 3 278.396 3.073 20 30 CGEDHN CCCCCCC[C@H](C)NC1=C(C(=O)OCC)CNCC1 ZINC001246283854 804259095 /nfs/dbraw/zinc/25/90/95/804259095.db2.gz JZRJPYISCMURCI-AWEZNQCLSA-N 0 3 296.455 3.136 20 30 CGEDHN C=CCn1cc(CN2CC[C@H](c3cccc(F)c3)C2)cn1 ZINC001139772659 804280579 /nfs/dbraw/zinc/28/05/79/804280579.db2.gz OENMABOKPCAHLE-INIZCTEOSA-N 0 3 285.366 3.198 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001139869652 804302246 /nfs/dbraw/zinc/30/22/46/804302246.db2.gz OQKOGDUJXUHGQL-HUUCEWRRSA-N 0 3 280.456 3.025 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCCCC3)CC2)cn1 ZINC001140540384 804457064 /nfs/dbraw/zinc/45/70/64/804457064.db2.gz UDIYQECKVGLLMC-UHFFFAOYSA-N 0 3 269.392 3.500 20 30 CGEDHN N#Cc1c(F)cc(CN2CC3CCC(CC3)C2)cc1F ZINC001140756102 804506494 /nfs/dbraw/zinc/50/64/94/804506494.db2.gz FOGFDOUHPPEPGH-UHFFFAOYSA-N 0 3 276.330 3.458 20 30 CGEDHN Cc1ncoc1CN1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001141052906 804580208 /nfs/dbraw/zinc/58/02/08/804580208.db2.gz QMXXRUUQQBPTLU-UHFFFAOYSA-N 0 3 295.386 3.309 20 30 CGEDHN C[C@H]1CCCCN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107064 804590794 /nfs/dbraw/zinc/59/07/94/804590794.db2.gz OJZXZLJZXDURHD-VIFPVBQESA-N 0 3 283.828 3.477 20 30 CGEDHN CC[C@H]1CCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141112199 804591482 /nfs/dbraw/zinc/59/14/82/804591482.db2.gz SKTBDSMVFXYGQX-QMMMGPOBSA-N 0 3 269.801 3.230 20 30 CGEDHN C[C@H]1C[C@H](C)CN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141114068 804591518 /nfs/dbraw/zinc/59/15/18/804591518.db2.gz CMAJJTMGUWARHC-IUCAKERBSA-N 0 3 283.828 3.333 20 30 CGEDHN CC(C)[C@@H]1CCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141112847 804592205 /nfs/dbraw/zinc/59/22/05/804592205.db2.gz OTFRUFQJAHUDKP-JTQLQIEISA-N 0 3 283.828 3.476 20 30 CGEDHN C[C@@]1(O)CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972327 804683391 /nfs/dbraw/zinc/68/33/91/804683391.db2.gz HAFNFVGSKATZPU-GOSISDBHSA-N 0 3 297.423 3.105 20 30 CGEDHN CCc1cccc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001144318654 804973568 /nfs/dbraw/zinc/97/35/68/804973568.db2.gz HMTABJXXSGKEHE-HNNXBMFYSA-N 0 3 273.401 3.023 20 30 CGEDHN CCc1cccc(CN2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001144318654 804973570 /nfs/dbraw/zinc/97/35/70/804973570.db2.gz HMTABJXXSGKEHE-HNNXBMFYSA-N 0 3 273.401 3.023 20 30 CGEDHN N#Cc1ccn2ncc(CN3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC001249106870 805091940 /nfs/dbraw/zinc/09/19/40/805091940.db2.gz NOTHCCWIZWDOTR-CVEARBPZSA-N 0 3 294.402 3.218 20 30 CGEDHN CC[C@H]1C[C@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001257113705 807054656 /nfs/dbraw/zinc/05/46/56/807054656.db2.gz JKDPNQVVVPCJFD-MJBXVCDLSA-N 0 3 295.427 3.056 20 30 CGEDHN CCN1CCc2ccc(CN3CCC(C)(C#N)CC3)cc21 ZINC001249665291 805208234 /nfs/dbraw/zinc/20/82/34/805208234.db2.gz SRZHZXDHADBVHZ-UHFFFAOYSA-N 0 3 283.419 3.195 20 30 CGEDHN C=CCN1CCC2(CN(C(=O)[C@H](CCC)CC(C)C)C2)C1 ZINC001148869096 805212678 /nfs/dbraw/zinc/21/26/78/805212678.db2.gz YHYAJIPQUQOZMX-MRXNPFEDSA-N 0 3 292.467 3.169 20 30 CGEDHN C=CCN(C)Cc1ccc(Br)c2nsnc21 ZINC001249718090 805221492 /nfs/dbraw/zinc/22/14/92/805221492.db2.gz RKQXNOROESEYST-UHFFFAOYSA-N 0 3 298.209 3.072 20 30 CGEDHN CCOC(=O)c1ccc(C[C@H](C)N[C@@H](CC)CC#N)cc1 ZINC001257150829 807056116 /nfs/dbraw/zinc/05/61/16/807056116.db2.gz GYGAQVRXGPSUGB-BBRMVZONSA-N 0 3 288.391 3.076 20 30 CGEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001167377780 807189124 /nfs/dbraw/zinc/18/91/24/807189124.db2.gz WJYNZSAVBKBSMY-TZMCWYRMSA-N 0 3 298.858 3.051 20 30 CGEDHN C=C(C)CCN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001167589641 807210539 /nfs/dbraw/zinc/21/05/39/807210539.db2.gz GPLGFJQYGJYYJV-UHFFFAOYSA-N 0 3 282.428 3.284 20 30 CGEDHN CC(C)OC1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001257871873 807233313 /nfs/dbraw/zinc/23/33/13/807233313.db2.gz LJBGJFRETKQHPR-UHFFFAOYSA-N 0 3 295.814 3.177 20 30 CGEDHN CCCCCCC[C@H](C)n1cc(CN)c(C)nc1=N ZINC001258042435 807272313 /nfs/dbraw/zinc/27/23/13/807272313.db2.gz ARXRDJPJFFYGIF-LBPRGKRZSA-N 0 3 264.417 3.051 20 30 CGEDHN CCCCCCC[C@H](C)N1CC[C@@](F)(C(=O)OC)C1 ZINC001258044281 807273874 /nfs/dbraw/zinc/27/38/74/807273874.db2.gz KVGNEXICAZPBHV-ZFWWWQNUSA-N 0 3 273.392 3.322 20 30 CGEDHN N#Cc1cc2[nH]ccc2c(N(C(=N)N)c2ccc(F)cc2)c1 ZINC001167994564 807295077 /nfs/dbraw/zinc/29/50/77/807295077.db2.gz LZASXFISQFZPJB-UHFFFAOYSA-N 0 3 293.305 3.210 20 30 CGEDHN N#CCC1(N[C@H]2CCc3cc(F)ccc3C2)CCCC1 ZINC001168421766 807411031 /nfs/dbraw/zinc/41/10/31/807411031.db2.gz STDIVRMGSVVPEK-INIZCTEOSA-N 0 3 272.367 3.499 20 30 CGEDHN C[C@@H]1CCC[C@@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001258808083 807628252 /nfs/dbraw/zinc/62/82/52/807628252.db2.gz MPZQSBLZWXKSHF-MWLCHTKSSA-N 0 3 251.761 3.019 20 30 CGEDHN CC[C@@H](Cc1ccccc1)NC(=N)c1ccc(Cl)cn1 ZINC001258839448 807652449 /nfs/dbraw/zinc/65/24/49/807652449.db2.gz ZYXUAOPGMBFRAV-AWEZNQCLSA-N 0 3 287.794 3.462 20 30 CGEDHN C#C[C@@](C)(CC)Nc1ccc([C@@H]2CCCCN2C)cn1 ZINC001169697971 807690646 /nfs/dbraw/zinc/69/06/46/807690646.db2.gz PHDNGASYAIVMAD-RDJZCZTQSA-N 0 3 271.408 3.452 20 30 CGEDHN N#CC[C@@H]1CCCN([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170701615 807878698 /nfs/dbraw/zinc/87/86/98/807878698.db2.gz QWXACDJGJMXXAB-SWLSCSKDSA-N 0 3 290.357 3.448 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)Nc1c(C)c(C)nn1C ZINC001263092078 807932909 /nfs/dbraw/zinc/93/29/09/807932909.db2.gz FXVDKRJJVWMCPB-AWEZNQCLSA-N 0 3 294.443 3.053 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCCC[C@H](F)C1 ZINC001171203722 808008890 /nfs/dbraw/zinc/00/88/90/808008890.db2.gz PGYAFILBEHMSNY-BBRMVZONSA-N 0 3 260.356 3.313 20 30 CGEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(C)(C#N)CC1 ZINC001171224268 808012602 /nfs/dbraw/zinc/01/26/02/808012602.db2.gz QNELHJBJRTVJBV-AWEZNQCLSA-N 0 3 267.376 3.115 20 30 CGEDHN CC[C@@H](CC#N)N[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463334 808065557 /nfs/dbraw/zinc/06/55/57/808065557.db2.gz QSGCRSMGURZUML-STQMWFEESA-N 0 3 264.319 3.104 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CC=C(C)C)[C@@H]1C ZINC001264717748 808087948 /nfs/dbraw/zinc/08/79/48/808087948.db2.gz JLJZIIDWGYOJLS-HLLBOEOZSA-N 0 3 278.440 3.134 20 30 CGEDHN Cc1cccc2c1CC[C@@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001171553062 808093465 /nfs/dbraw/zinc/09/34/65/808093465.db2.gz LEGFHWXLPXTUHW-CQSZACIVSA-N 0 3 299.805 3.306 20 30 CGEDHN CC(C)Cn1cnc(CN[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172299224 808219570 /nfs/dbraw/zinc/21/95/70/808219570.db2.gz IJWXUYDOOAAIKO-OAHLLOKOSA-N 0 3 296.418 3.132 20 30 CGEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(CC)CCCC1 ZINC001266180187 808223369 /nfs/dbraw/zinc/22/33/69/808223369.db2.gz BHCGKNRFYWTDKI-ZDUSSCGKSA-N 0 3 286.847 3.194 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC2(C1)C[C@H](F)CS2 ZINC001172310928 808223523 /nfs/dbraw/zinc/22/35/23/808223523.db2.gz LUEIFLRJRFKJPE-DOMZBBRYSA-N 0 3 290.407 3.019 20 30 CGEDHN CCCCCCC[C@@H](CC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172347143 808245317 /nfs/dbraw/zinc/24/53/17/808245317.db2.gz RZWRZFGIFGOZTL-LSDHHAIUSA-N 0 3 281.444 3.227 20 30 CGEDHN C=CCCC(=O)NCCN(CC)Cc1cc(C)sc1C ZINC001266381296 808253269 /nfs/dbraw/zinc/25/32/69/808253269.db2.gz WRZUHYGHWMOCMY-UHFFFAOYSA-N 0 3 294.464 3.269 20 30 CGEDHN CC(C)COCC[C@@H](C)NCC1(C#N)CCCC1 ZINC001172455810 808326048 /nfs/dbraw/zinc/32/60/48/808326048.db2.gz VLUSPNOSCONTBI-CQSZACIVSA-N 0 3 252.402 3.111 20 30 CGEDHN COc1cccc2c1CN([C@@H](C)CCCC#N)CC2 ZINC001172491386 808352216 /nfs/dbraw/zinc/35/22/16/808352216.db2.gz DZQPZZFRBSLRRG-ZDUSSCGKSA-N 0 3 258.365 3.136 20 30 CGEDHN C[C@H](CCCC#N)N1CCN(c2noc3ccccc32)CC1 ZINC001172493883 808354147 /nfs/dbraw/zinc/35/41/47/808354147.db2.gz OUZLUQPHKGDAHR-CQSZACIVSA-N 0 3 298.390 3.032 20 30 CGEDHN C=CCC1(C(=O)NCCN(C)CC=C(C)C)CCCC1 ZINC001267232976 808388901 /nfs/dbraw/zinc/38/89/01/808388901.db2.gz GVNPAPUEOHJVCU-UHFFFAOYSA-N 0 3 278.440 3.137 20 30 CGEDHN C=C(C)CN(CCNC(=O)[C@@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001267328489 808415752 /nfs/dbraw/zinc/41/57/52/808415752.db2.gz XUESYXYKNJTSMD-YJBOKZPZSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC001267350607 808419812 /nfs/dbraw/zinc/41/98/12/808419812.db2.gz GIVSTPFLBJDUBF-AEFFLSMTSA-N 0 3 298.430 3.366 20 30 CGEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCCCCC(C)C)C1 ZINC001267774294 808488556 /nfs/dbraw/zinc/48/85/56/808488556.db2.gz VYZYPGXMROVSIP-QGZVFWFLSA-N 0 3 292.467 3.149 20 30 CGEDHN CC#CCNCCN(CC)C(=O)c1cccc(C2CCC2)c1 ZINC001268491889 808593771 /nfs/dbraw/zinc/59/37/71/808593771.db2.gz UNVCDTGCILFZGE-UHFFFAOYSA-N 0 3 298.430 3.029 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1ccsc1 ZINC001268589514 808599464 /nfs/dbraw/zinc/59/94/64/808599464.db2.gz ZZWQZPTVKKAQOQ-MWWKQMNYSA-N 0 3 292.448 3.112 20 30 CGEDHN N#CCC1CCC(NCc2nc3ccccc3o2)CC1 ZINC001173324611 808611590 /nfs/dbraw/zinc/61/15/90/808611590.db2.gz QUFIVMBHQBPPLT-UHFFFAOYSA-N 0 3 269.348 3.390 20 30 CGEDHN C=CCOC1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC001173326820 808612333 /nfs/dbraw/zinc/61/23/33/808612333.db2.gz SBCANOWJSOTAJG-UHFFFAOYSA-N 0 3 275.392 3.338 20 30 CGEDHN C=CCOC1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001173326820 808612336 /nfs/dbraw/zinc/61/23/36/808612336.db2.gz SBCANOWJSOTAJG-UHFFFAOYSA-N 0 3 275.392 3.338 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001269189124 808652635 /nfs/dbraw/zinc/65/26/35/808652635.db2.gz OMTYUOLNSOKKKS-TZMCWYRMSA-N 0 3 292.448 3.215 20 30 CGEDHN CCCCN(CCC#N)[C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173642993 808658094 /nfs/dbraw/zinc/65/80/94/808658094.db2.gz GBPPCRRMFHAUKP-HUUCEWRRSA-N 0 3 280.412 3.124 20 30 CGEDHN C=CCCN1CC[C@H]1CNC(=O)CCCCC(C)(C)C ZINC001269241836 808660724 /nfs/dbraw/zinc/66/07/24/808660724.db2.gz YDFXXPBECJJZEF-HNNXBMFYSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCC2CCCCC2)C1 ZINC001269355815 808673863 /nfs/dbraw/zinc/67/38/63/808673863.db2.gz KMLGJJKSLKUFJG-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN COc1ccc(C#N)cc1Nc1ccccc1CN(C)C ZINC001173932557 808770404 /nfs/dbraw/zinc/77/04/04/808770404.db2.gz SASHMEQWWVRXPU-UHFFFAOYSA-N 0 3 281.359 3.372 20 30 CGEDHN C=C(C)CN1CCc2c(CNC(=O)C3(C)CC3)cccc2C1 ZINC001272916524 808826724 /nfs/dbraw/zinc/82/67/24/808826724.db2.gz ALYBPUZFILJHOU-UHFFFAOYSA-N 0 3 298.430 3.037 20 30 CGEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C12CCC(CC1)CC2 ZINC001273191694 808838100 /nfs/dbraw/zinc/83/81/00/808838100.db2.gz FFDTZTAMYUHDEI-VQCLRJIVSA-N 0 3 298.858 3.194 20 30 CGEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](CC)CCCC)CC1 ZINC001273394369 808842608 /nfs/dbraw/zinc/84/26/08/808842608.db2.gz YMIDIETWXZVLNJ-SJORKVTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CC[C@@H](C)C2)C1 ZINC001277027193 809054587 /nfs/dbraw/zinc/05/45/87/809054587.db2.gz OBFVWCMDLFCDLA-NMFUWQPSSA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCCCCCN1CC2(C[C@H]2C(=O)N(CC)C(C)C)C1 ZINC001277150837 809059168 /nfs/dbraw/zinc/05/91/68/809059168.db2.gz FUQKYJDDMATQQS-INIZCTEOSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CC12CCCC2 ZINC001277335143 809069587 /nfs/dbraw/zinc/06/95/87/809069587.db2.gz IOKOJEARXYTUDJ-KBPBESRZSA-N 0 3 298.858 3.194 20 30 CGEDHN C=CCCC(=O)N1CC[C@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001277459593 809076318 /nfs/dbraw/zinc/07/63/18/809076318.db2.gz QSPRTXWWTSWEJK-DOTOQJQBSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C(Cl)CNCCC[C@H](NC(=O)CC)c1ccccc1 ZINC001277542599 809079987 /nfs/dbraw/zinc/07/99/87/809079987.db2.gz WDHWUPRIZDYUCE-HNNXBMFYSA-N 0 3 294.826 3.376 20 30 CGEDHN Cc1cc(Nc2sc3c(c2C#N)CCCC3)ccn1 ZINC001174652256 809116942 /nfs/dbraw/zinc/11/69/42/809116942.db2.gz UMMQIAHINRTSRE-UHFFFAOYSA-N 0 3 269.373 3.368 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001278501748 809137317 /nfs/dbraw/zinc/13/73/17/809137317.db2.gz YKRNUKNIAZNPGX-DOTOQJQBSA-N 0 3 286.419 3.122 20 30 CGEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001278662665 809150410 /nfs/dbraw/zinc/15/04/10/809150410.db2.gz DPUHIBCTOZIVNY-ROUUACIJSA-N 0 3 290.451 3.137 20 30 CGEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001280872547 809203442 /nfs/dbraw/zinc/20/34/42/809203442.db2.gz GMZLSWUFIACETI-MRXNPFEDSA-N 0 3 294.483 3.252 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001281542866 809213637 /nfs/dbraw/zinc/21/36/37/809213637.db2.gz XPSBDZIFGOCUBT-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccccc1Cl ZINC001281970494 809226586 /nfs/dbraw/zinc/22/65/86/809226586.db2.gz WHNDCRRZUJEFPB-ZDUSSCGKSA-N 0 3 292.810 3.062 20 30 CGEDHN CC#CCCCC(=O)N[C@H]1CCCN(CC=C(C)C)[C@H]1C ZINC001284129474 809297613 /nfs/dbraw/zinc/29/76/13/809297613.db2.gz IJJONBMUNOHWMF-IRXDYDNUSA-N 0 3 290.451 3.115 20 30 CGEDHN Cc1cc(Nc2ccc(N)c(C#N)c2)c2ccccc2n1 ZINC001213426974 815279909 /nfs/dbraw/zinc/27/99/09/815279909.db2.gz GYSOTIGYAFKPPY-UHFFFAOYSA-N 0 3 274.327 3.163 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)/C=C(/C)c1cccs1 ZINC001297373582 809516478 /nfs/dbraw/zinc/51/64/78/809516478.db2.gz YNHYTLGTJAHGQL-YPKPFQOOSA-N 0 3 292.448 3.118 20 30 CGEDHN C#C[C@@H]1CCCCN1C[C@@H]1CC2(CO1)CCCCC2 ZINC001176832822 809763771 /nfs/dbraw/zinc/76/37/71/809763771.db2.gz JXVSGXVVWBBVDV-CVEARBPZSA-N 0 3 261.409 3.214 20 30 CGEDHN C#C[C@H]1CCCCN1CCSc1cccc(OC)c1 ZINC001176833440 809764424 /nfs/dbraw/zinc/76/44/24/809764424.db2.gz WOZIRRBIVSQDMG-AWEZNQCLSA-N 0 3 275.417 3.275 20 30 CGEDHN C=CCOc1ccccc1CNCc1cccc2n[nH]cc21 ZINC001177875518 809829147 /nfs/dbraw/zinc/82/91/47/809829147.db2.gz KALIUBRIVZERRM-UHFFFAOYSA-N 0 3 293.370 3.418 20 30 CGEDHN Cc1csc(NC(=O)C(C#N)Cc2cccs2)c1 ZINC001177903840 809830027 /nfs/dbraw/zinc/83/00/27/809830027.db2.gz LGXWMKMOASLTGT-JTQLQIEISA-N 0 3 276.386 3.439 20 30 CGEDHN C=C[C@@H](C)NCc1cnc2c(C)cc(Br)cn12 ZINC001178165636 809849755 /nfs/dbraw/zinc/84/97/55/809849755.db2.gz CDWONHALDGGQTH-SNVBAGLBSA-N 0 3 294.196 3.069 20 30 CGEDHN C=C[C@@H]1CCCCN1Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC001181315934 810047387 /nfs/dbraw/zinc/04/73/87/810047387.db2.gz SMHKNMOPDXMUDO-CQSZACIVSA-N 0 3 290.407 3.349 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC001192326979 810788140 /nfs/dbraw/zinc/78/81/40/810788140.db2.gz VZSKYTUCAGWOAZ-VTSXBNNFSA-N 0 3 298.430 3.199 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1ccc(C)c(F)c1 ZINC001192910400 810826777 /nfs/dbraw/zinc/82/67/77/810826777.db2.gz SMVDZQVVSZCFFX-HUUCEWRRSA-N 0 3 251.345 3.112 20 30 CGEDHN CCCCCCCOC(=O)N1CCCN(CC)CC1 ZINC001193985731 810996158 /nfs/dbraw/zinc/99/61/58/810996158.db2.gz NXQFRNFUYXJLOM-UHFFFAOYSA-N 0 3 270.417 3.121 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194174637 811028190 /nfs/dbraw/zinc/02/81/90/811028190.db2.gz WZWBNUVCFXFTAE-OAHLLOKOSA-N 0 3 280.456 3.312 20 30 CGEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194306757 811049476 /nfs/dbraw/zinc/04/94/76/811049476.db2.gz WWCOWNCOLHPFTQ-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194360144 811060197 /nfs/dbraw/zinc/06/01/97/811060197.db2.gz WZLUSXHOSVQGAJ-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C=CCCCN1CCCN(C(=O)c2sccc2F)CC1 ZINC001195709664 811280612 /nfs/dbraw/zinc/28/06/12/811280612.db2.gz DTOHPHCEFNROGM-UHFFFAOYSA-N 0 3 296.411 3.001 20 30 CGEDHN C#CCCN1CCCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC001195982037 811307936 /nfs/dbraw/zinc/30/79/36/811307936.db2.gz MKOJBEMYDXTGFJ-QGZVFWFLSA-N 0 3 292.467 3.151 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001196880504 811376409 /nfs/dbraw/zinc/37/64/09/811376409.db2.gz LFLGXGKRJOKFPM-JTGQJZMRSA-N 0 3 292.467 3.479 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001197038865 811395301 /nfs/dbraw/zinc/39/53/01/811395301.db2.gz ZLJBUOGRMNDQPZ-BLGFXRMMSA-N 0 3 292.467 3.479 20 30 CGEDHN C#CC[C@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001197701554 811446850 /nfs/dbraw/zinc/44/68/50/811446850.db2.gz KQEKQXZSSDAMBQ-XHDPSFHLSA-N 0 3 298.213 3.372 20 30 CGEDHN CCc1ccc2c(c1)CN(C[C@@H](O)CC1(C#N)CCC1)CC2 ZINC001198851413 811548153 /nfs/dbraw/zinc/54/81/53/811548153.db2.gz HJTVWOGLLTWYTM-SFHVURJKSA-N 0 3 298.430 3.052 20 30 CGEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1c(C)cccc1C ZINC001202215111 812040228 /nfs/dbraw/zinc/04/02/28/812040228.db2.gz RLADOJAYTBKKEB-HNNXBMFYSA-N 0 3 287.407 3.075 20 30 CGEDHN C#CC[C@@H](CO)NCc1c(CCCC)oc2ccccc21 ZINC001202537890 812118530 /nfs/dbraw/zinc/11/85/30/812118530.db2.gz YNRVTGFGEDILBD-AWEZNQCLSA-N 0 3 285.387 3.249 20 30 CGEDHN CCc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001204176822 812566687 /nfs/dbraw/zinc/56/66/87/812566687.db2.gz VTRGGAGPBPLJBP-OAHLLOKOSA-N 0 3 273.401 3.023 20 30 CGEDHN CCc1ccc(CN2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001204176822 812566692 /nfs/dbraw/zinc/56/66/92/812566692.db2.gz VTRGGAGPBPLJBP-OAHLLOKOSA-N 0 3 273.401 3.023 20 30 CGEDHN C=CCOc1ccc(CN2CCC[C@H](C(C)=O)C2)cc1 ZINC001204303203 812604957 /nfs/dbraw/zinc/60/49/57/812604957.db2.gz BWUBTHCZJOQSKT-INIZCTEOSA-N 0 3 273.376 3.052 20 30 CGEDHN C=CCN(Cc1ccc(F)c(F)c1N(C)C)C(C)C ZINC001204441647 812640219 /nfs/dbraw/zinc/64/02/19/812640219.db2.gz QFNNSEFVRNMBBU-UHFFFAOYSA-N 0 3 268.351 3.427 20 30 CGEDHN CCCCCCC[C@H](C)OCCCN1CCN(C)CC1 ZINC001206588882 813366237 /nfs/dbraw/zinc/36/62/37/813366237.db2.gz BSAIRKGKQXFHED-KRWDZBQOSA-N 0 3 284.488 3.390 20 30 CGEDHN CCCCCCCCCN1CCC(F)(F)[C@@H](N)C1 ZINC001206649152 813387209 /nfs/dbraw/zinc/38/72/09/813387209.db2.gz ROEJDPPXYVBCKO-ZDUSSCGKSA-N 0 3 262.388 3.405 20 30 CGEDHN C=CCCN(Cc1ccccc1)Cc1cccc(=O)[nH]1 ZINC001207070660 813479166 /nfs/dbraw/zinc/47/91/66/813479166.db2.gz AYAAYCSLGJMEMC-UHFFFAOYSA-N 0 3 268.360 3.366 20 30 CGEDHN CN(Cc1cc(C#N)n(C)c1)Cc1cccc2cccnc21 ZINC001207106557 813487620 /nfs/dbraw/zinc/48/76/20/813487620.db2.gz NSMAUCYJNSQMPS-UHFFFAOYSA-N 0 3 290.370 3.077 20 30 CGEDHN C=CCN1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC001207599043 813607059 /nfs/dbraw/zinc/60/70/59/813607059.db2.gz VGLBJFWQGGIKGL-UHFFFAOYSA-N 0 3 278.827 3.076 20 30 CGEDHN C=C(C)[C@@H]1CC=C(CN2CCCC3(C2)OCCO3)CC1 ZINC001208178215 813729175 /nfs/dbraw/zinc/72/91/75/813729175.db2.gz NVRQGFUKDVXGAN-MRXNPFEDSA-N 0 3 277.408 3.128 20 30 CGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H](NC[C@@H](F)CC)C1 ZINC001208193632 813739321 /nfs/dbraw/zinc/73/93/21/813739321.db2.gz JHKGOFVCOKLLKO-JKSUJKDBSA-N 0 3 296.430 3.084 20 30 CGEDHN Cc1nc2c(s1)CN(CCCc1ccc(C#N)cc1)CC2 ZINC001208857550 813868869 /nfs/dbraw/zinc/86/88/69/813868869.db2.gz GOSQGNDDRWEEAL-UHFFFAOYSA-N 0 3 297.427 3.314 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001209380847 814006725 /nfs/dbraw/zinc/00/67/25/814006725.db2.gz OIWVRTLLPDPVPI-ZMSDIMECSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCCCCCCN1CCOC2(CCOCC2)C1 ZINC001209440366 814042054 /nfs/dbraw/zinc/04/20/54/814042054.db2.gz IWCCNJACQUWBOJ-UHFFFAOYSA-N 0 3 267.413 3.004 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001209769633 814136165 /nfs/dbraw/zinc/13/61/65/814136165.db2.gz QDYDEUOJFGYTLD-HUUCEWRRSA-N 0 3 280.456 3.215 20 30 CGEDHN C#Cc1ccc(Nc2ccc3c(c2)CN(C)CC3)cc1 ZINC001210118864 814297209 /nfs/dbraw/zinc/29/72/09/814297209.db2.gz MFVHRLOJFAEQLW-UHFFFAOYSA-N 0 3 262.356 3.399 20 30 CGEDHN Cc1cc(C#N)cc(O[C@H]2CNCc3ccccc32)c1 ZINC001218490183 816245362 /nfs/dbraw/zinc/24/53/62/816245362.db2.gz XMKJDCAGUQYWRQ-KRWDZBQOSA-N 0 3 264.328 3.090 20 30 CGEDHN N#Cc1cc2ccc(O[C@H]3CNCc4ccccc43)cc2[nH]1 ZINC001218491692 816245532 /nfs/dbraw/zinc/24/55/32/816245532.db2.gz WCOIWXUAHYJQPS-SFHVURJKSA-N 0 3 289.338 3.263 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221837831 816329880 /nfs/dbraw/zinc/32/98/80/816329880.db2.gz GUANXNLMYHNREP-HZPDHXFCSA-N 0 3 290.451 3.088 20 30 CGEDHN C=CCn1cc(-c2ccc(F)c(CN3CCCC3)c2)cn1 ZINC001222409188 816437357 /nfs/dbraw/zinc/43/73/57/816437357.db2.gz NTLJSWXLPATDCH-UHFFFAOYSA-N 0 3 285.366 3.471 20 30 CGEDHN C=C(C)CCCO[C@H]1COCCN(Cc2ccccc2)C1 ZINC001224280600 816766118 /nfs/dbraw/zinc/76/61/18/816766118.db2.gz BIOFAWPOTZDZLK-GOSISDBHSA-N 0 3 289.419 3.260 20 30 CGEDHN C=CCOc1ccccc1[C@@H](C)Oc1ccnc(N)c1 ZINC001226652302 817424722 /nfs/dbraw/zinc/42/47/22/817424722.db2.gz FLTZWTDVTXIBER-GFCCVEGCSA-N 0 3 270.332 3.369 20 30 CGEDHN C#Cc1cccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC001231658894 818149782 /nfs/dbraw/zinc/14/97/82/818149782.db2.gz ARMOZKOJJZPHOP-LJQANCHMSA-N 0 3 295.357 3.460 20 30 CGEDHN C#Cc1cccc(CN2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC001231659947 818151996 /nfs/dbraw/zinc/15/19/96/818151996.db2.gz XPTOOQXXQZKEJO-FQEVSTJZSA-N 0 3 290.410 3.157 20 30 CGEDHN C#Cc1cccc(CN(C)Cc2ccc(OC)c(OC)c2)c1 ZINC001231659599 818152133 /nfs/dbraw/zinc/15/21/33/818152133.db2.gz PMISQDBMYGFPSO-UHFFFAOYSA-N 0 3 295.382 3.317 20 30 CGEDHN C#Cc1cccc(CN2CCC(Oc3cccnc3)CC2)c1 ZINC001231659518 818152619 /nfs/dbraw/zinc/15/26/19/818152619.db2.gz OASCIXRAOGEUAN-UHFFFAOYSA-N 0 3 292.382 3.106 20 30 CGEDHN C#CC1CCN(Cc2cc(OC)ccc2OC(C)C)CC1 ZINC001232388798 818334377 /nfs/dbraw/zinc/33/43/77/818334377.db2.gz JXQLVNYYQJXVOH-UHFFFAOYSA-N 0 3 287.403 3.328 20 30 CGEDHN CC(C)N(CCCCCO)Cc1cc(F)ccc1C#N ZINC001232892887 818467132 /nfs/dbraw/zinc/46/71/32/818467132.db2.gz ATAKNLGRHQAZFR-UHFFFAOYSA-N 0 3 278.371 3.070 20 30 CGEDHN Cc1cc(C#N)ccc1CN(C)C[C@@H]1Cc2ccccc2O1 ZINC001233084385 818520791 /nfs/dbraw/zinc/52/07/91/818520791.db2.gz UAGJUKZUUWQRAU-SFHVURJKSA-N 0 3 292.382 3.302 20 30 CGEDHN C[C@@H](C#C[Si](C)(C)C)Oc1cccc2c1CCN(C)C2 ZINC001234424047 818851384 /nfs/dbraw/zinc/85/13/84/818851384.db2.gz NZYBPTWRMAQZGL-AWEZNQCLSA-N 0 3 287.479 3.323 20 30 CGEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001234614757 818892405 /nfs/dbraw/zinc/89/24/05/818892405.db2.gz UYPUNARGTUTVFY-QGZVFWFLSA-N 0 3 292.467 3.456 20 30 CGEDHN Cc1cc(F)c(CN2CCC3SC(=O)C=C3C2)c(F)c1 ZINC001235189114 819030735 /nfs/dbraw/zinc/03/07/35/819030735.db2.gz FVFDYLIHUPVFHL-AWEZNQCLSA-N 0 3 295.354 3.047 20 30 CGEDHN CCCCCCCOc1ccc(CN(C)CCO)cc1 ZINC001236253088 819406130 /nfs/dbraw/zinc/40/61/30/819406130.db2.gz DKHWGKWEVGHQFO-UHFFFAOYSA-N 0 3 279.424 3.460 20 30 CGEDHN N#Cc1ccc(-c2cncc(CN3CCCC3)c2)c(F)c1 ZINC001236532008 819523538 /nfs/dbraw/zinc/52/35/38/819523538.db2.gz UKPIJYWFCKRHMU-UHFFFAOYSA-N 0 3 281.334 3.355 20 30 CGEDHN COc1ccc(C#N)cc1-c1ccc2c(c1)CN(C)CC2 ZINC001236544792 819531056 /nfs/dbraw/zinc/53/10/56/819531056.db2.gz ALEDCILOUVEMKZ-UHFFFAOYSA-N 0 3 278.355 3.222 20 30 CGEDHN COc1ccc(C)c(CN2CCC[C@H](C#N)CC2)c1 ZINC001237709398 819814089 /nfs/dbraw/zinc/81/40/89/819814089.db2.gz IDZIZLZXSWFMLL-AWEZNQCLSA-N 0 3 258.365 3.129 20 30 CGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@@]1(C)O ZINC001238079588 819926464 /nfs/dbraw/zinc/92/64/64/819926464.db2.gz DMYFNVKNNQRVCU-MLGOLLRUSA-N 0 3 292.810 3.195 20 30 CGEDHN COc1cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc1C#N ZINC001238409112 819988733 /nfs/dbraw/zinc/98/87/33/819988733.db2.gz BYLOTPMWHPNPBA-OKILXGFUSA-N 0 3 292.329 3.044 20 30 CGEDHN CCc1cc(CN2CCC(C)(F)CC2)ccc1C#N ZINC001238762121 820111642 /nfs/dbraw/zinc/11/16/42/820111642.db2.gz ASMYFGWEUQGENS-UHFFFAOYSA-N 0 3 260.356 3.445 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC001239283103 820252636 /nfs/dbraw/zinc/25/26/36/820252636.db2.gz FMCJVCNQURFYFU-SOUVJXGZSA-N 0 3 283.460 3.127 20 30 CGEDHN CCCCCCCCCOC(=O)N[C@@H]1CCNC[C@H]1F ZINC001239315839 820262643 /nfs/dbraw/zinc/26/26/43/820262643.db2.gz ZVSUOEGYOWNWLU-ZIAGYGMSSA-N 0 3 288.407 3.163 20 30 CGEDHN N#CCc1ncccc1C1=CCCN(Cc2ccccc2)C1 ZINC001240387089 821011028 /nfs/dbraw/zinc/01/10/28/821011028.db2.gz MDSOCZYVKKLKEI-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN COc1ccc(-c2cc(F)cc(C#N)c2)cc1CN(C)C ZINC001241659209 822035762 /nfs/dbraw/zinc/03/57/62/822035762.db2.gz DQIRPXDFUIVLEG-UHFFFAOYSA-N 0 3 284.334 3.435 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N1Cc2ccccc2[C@H]1CC ZINC001341574520 936442777 /nfs/dbraw/zinc/44/27/77/936442777.db2.gz MRURGIHJIFLWRG-JKSUJKDBSA-N 0 3 272.392 3.164 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(SC)cc1OC ZINC001341914101 936454330 /nfs/dbraw/zinc/45/43/30/936454330.db2.gz ZSYIXBCZBLERHB-GFCCVEGCSA-N 0 3 294.420 3.039 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001342568029 936470484 /nfs/dbraw/zinc/47/04/84/936470484.db2.gz CZPJQTYYVRXXEY-JTQLQIEISA-N 0 3 292.688 3.114 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NCCC1CCC(F)(F)CC1 ZINC001342928152 936484345 /nfs/dbraw/zinc/48/43/45/936484345.db2.gz YBLPKXXUGANIQX-CYBMUJFWSA-N 0 3 288.382 3.002 20 30 CGEDHN N#CC(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccn1 ZINC001343494209 936503988 /nfs/dbraw/zinc/50/39/88/936503988.db2.gz FLRMJVCNHOWVKC-IGQOVBAYSA-N 0 3 254.333 3.084 20 30 CGEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001343715977 936511703 /nfs/dbraw/zinc/51/17/03/936511703.db2.gz GOAJPAOPFZVFKE-GBJTYRQASA-N 0 3 285.391 3.203 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1ccccc1C ZINC001344322147 936529524 /nfs/dbraw/zinc/52/95/24/936529524.db2.gz IUHRQGYPIARGGQ-GDBMZVCRSA-N 0 3 295.386 3.267 20 30 CGEDHN C[C@H](CC(F)(F)F)C(=O)C(C#N)c1ncc(F)cc1F ZINC001345999015 936833184 /nfs/dbraw/zinc/83/31/84/936833184.db2.gz DAFZQWDRCBRJLE-HTRCEHHLSA-N 0 3 292.207 3.125 20 30 CGEDHN CC(C)C[C@H](C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001346762040 936860108 /nfs/dbraw/zinc/86/01/08/936860108.db2.gz CKCYFKBBHNTWPG-ONGXEEELSA-N 0 3 266.291 3.218 20 30 CGEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(Cl)s1 ZINC001347337606 936880085 /nfs/dbraw/zinc/88/00/85/936880085.db2.gz KLOHYPGPUJXSDT-MRVPVSSYSA-N 0 3 279.752 3.108 20 30 CGEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001479968061 936951499 /nfs/dbraw/zinc/95/14/99/936951499.db2.gz ZQFUFXUTESLRFG-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN CSCC1(CC(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001350355597 936989314 /nfs/dbraw/zinc/98/93/14/936989314.db2.gz VLAIDLMUVTXCOH-JTQLQIEISA-N 0 3 296.342 3.069 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCCC)cc1 ZINC001353689683 937074368 /nfs/dbraw/zinc/07/43/68/937074368.db2.gz WECOKKWGWHAOQR-OAHLLOKOSA-N 0 3 276.380 3.098 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001481044503 926870549 /nfs/dbraw/zinc/87/05/49/926870549.db2.gz PYTWCZRIDVRPEF-MRXNPFEDSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CCC(=O)N(C)CCNCc1cc(F)ccc1C ZINC001481235222 926920385 /nfs/dbraw/zinc/92/03/85/926920385.db2.gz HMTGKASYKZRNQC-UHFFFAOYSA-N 0 3 292.398 3.038 20 30 CGEDHN C=C(C)CN[C@@H](CNC(=O)C1(C)CC=CC1)c1ccccc1 ZINC001481370232 926969462 /nfs/dbraw/zinc/96/94/62/926969462.db2.gz ZMTULEKXXWVQRJ-KRWDZBQOSA-N 0 3 298.430 3.366 20 30 CGEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@@H](C)C1CC1)C1CC1 ZINC001481950401 927114676 /nfs/dbraw/zinc/11/46/76/927114676.db2.gz FSDAGFAPYNXNOR-BZNIZROVSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC001482650660 927336729 /nfs/dbraw/zinc/33/67/29/927336729.db2.gz RCGBRVWJWPYKDP-UHFFFAOYSA-N 0 3 292.398 3.022 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001483694154 927578374 /nfs/dbraw/zinc/57/83/74/927578374.db2.gz KGUYLQYKTGMTTF-JKSUJKDBSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001483694148 927578838 /nfs/dbraw/zinc/57/88/38/927578838.db2.gz KGUYLQYKTGMTTF-HOTGVXAUSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C[C@H](C(=O)NC[C@H]1CCN1CCC(=C)C)c1ccccc1 ZINC001483707834 927581086 /nfs/dbraw/zinc/58/10/86/927581086.db2.gz FXJZIOONPKNVKK-MSOLQXFVSA-N 0 3 298.430 3.113 20 30 CGEDHN CC#CCN1CCC(C)(NC(=O)[C@H](CC)CCCC)CC1 ZINC001483961503 927654552 /nfs/dbraw/zinc/65/45/52/927654552.db2.gz OJXLIKLKOHUZFY-MRXNPFEDSA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCCCC(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001484142446 927681021 /nfs/dbraw/zinc/68/10/21/927681021.db2.gz QGQMIJNHEPKZQK-POHAHGRESA-N 0 3 298.858 3.314 20 30 CGEDHN C=C(C)CN1CCc2c(CNC(=O)/C(C)=C/C)cccc2C1 ZINC001484611487 927727585 /nfs/dbraw/zinc/72/75/85/927727585.db2.gz KCQMSUZUBFFUCZ-PJQLUOCWSA-N 0 3 298.430 3.203 20 30 CGEDHN CC#CCN1CC[C@@H](NC(=O)CCCC(C)C)C(C)(C)C1 ZINC001484941347 927774924 /nfs/dbraw/zinc/77/49/24/927774924.db2.gz ZTMPSMMUPJOTIA-MRXNPFEDSA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC(C)(C)C=C ZINC001485042724 927789361 /nfs/dbraw/zinc/78/93/61/927789361.db2.gz BARZLLILEZQONI-SJLPKXTDSA-N 0 3 298.430 3.147 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCC1CCCC1 ZINC001485047854 927794363 /nfs/dbraw/zinc/79/43/63/927794363.db2.gz QCUWJAYDIOJFFI-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001485484796 927883446 /nfs/dbraw/zinc/88/34/46/927883446.db2.gz LNRVXNUXLDWNKX-DOTOQJQBSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCCCCCN1CCOc2ccccc2[C@H]1CO ZINC001473825439 937202093 /nfs/dbraw/zinc/20/20/93/937202093.db2.gz RLRZGBXXTMLDDQ-MRXNPFEDSA-N 0 3 275.392 3.161 20 30 CGEDHN C=CC(C)(C)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC001560614441 937214506 /nfs/dbraw/zinc/21/45/06/937214506.db2.gz KWFQDWUVQPYEFE-NSHDSACASA-N 0 3 261.365 3.073 20 30 CGEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC1 ZINC001494638015 928061778 /nfs/dbraw/zinc/06/17/78/928061778.db2.gz PFMALDQKRCSXAG-HOTGVXAUSA-N 0 3 278.440 3.042 20 30 CGEDHN C#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001144568417 928198483 /nfs/dbraw/zinc/19/84/83/928198483.db2.gz USVOHCRKVSLNNH-GASCZTMLSA-N 0 3 261.315 3.145 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC001144573201 928200634 /nfs/dbraw/zinc/20/06/34/928200634.db2.gz DJGZTDFFUMYMGI-LJQANCHMSA-N 0 3 295.357 3.460 20 30 CGEDHN C[C@]1(F)CCN(C2CCC(CC#N)CC2)C[C@@H]1F ZINC001173330898 928228055 /nfs/dbraw/zinc/22/80/55/928228055.db2.gz HJTWEHGHICVAOY-HOAMVYINSA-N 0 3 256.340 3.231 20 30 CGEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC001490421287 928360292 /nfs/dbraw/zinc/36/02/92/928360292.db2.gz QKYAQSWEXBTCAK-SFHVURJKSA-N 0 3 298.430 3.065 20 30 CGEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCC(C)C)C1 ZINC001491295467 928854303 /nfs/dbraw/zinc/85/43/03/928854303.db2.gz BIPCWTVHDRMUKA-DLBZAZTESA-N 0 3 292.467 3.053 20 30 CGEDHN C=CCN(C)CCN(CC)C(=O)/C(F)=C/C1CCCCC1 ZINC001448872431 937377077 /nfs/dbraw/zinc/37/70/77/937377077.db2.gz JTTYQAKUKQGFOA-PEZBUJJGSA-N 0 3 296.430 3.386 20 30 CGEDHN C=CCN(CCSc1cccc(OC)c1)[C@H](C)COC ZINC001460406000 937530128 /nfs/dbraw/zinc/53/01/28/937530128.db2.gz AUPCSCMJRYHMFA-CQSZACIVSA-N 0 3 295.448 3.310 20 30 CGEDHN CCC#C[C@H](C)N1CC[C@@H](Cc2nc(C)cs2)C1 ZINC001460825519 937547414 /nfs/dbraw/zinc/54/74/14/937547414.db2.gz BNWTUSCEDLQKQQ-KBPBESRZSA-N 0 3 262.422 3.118 20 30 CGEDHN CC#C[C@@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302637 932129196 /nfs/dbraw/zinc/12/91/96/932129196.db2.gz LNGQYRSFDBHYNH-OAHLLOKOSA-N 0 3 273.376 3.002 20 30 CGEDHN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nncc2n[nH]cc21 ZINC001230899795 932638532 /nfs/dbraw/zinc/63/85/32/932638532.db2.gz AASLLXVYTOHKOQ-MJVIPROJSA-N 0 3 272.352 3.113 20 30 CGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001491965328 932799683 /nfs/dbraw/zinc/79/96/83/932799683.db2.gz JWWOSIDQBSFQGD-DLBZAZTESA-N 0 3 292.467 3.005 20 30 CGEDHN C=C(C)CN(C)CCNC(=O)CC(C1CCC1)C1CCC1 ZINC001492413978 932817521 /nfs/dbraw/zinc/81/75/21/932817521.db2.gz AJKOFRPVANEKHM-UHFFFAOYSA-N 0 3 292.467 3.217 20 30 CGEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCCC2)C12CCCC2 ZINC001462392811 937637999 /nfs/dbraw/zinc/63/79/99/937637999.db2.gz GKTWQSZTUVSHRJ-GJZGRUSLSA-N 0 3 276.424 3.398 20 30 CGEDHN C#CCN(CC#C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001307486852 932959437 /nfs/dbraw/zinc/95/94/37/932959437.db2.gz JUXBKBRZKAGAMD-SJLPKXTDSA-N 0 3 251.373 3.139 20 30 CGEDHN N#CC1(CCN2CC[C@H]3[C@@H](C2)C3(F)F)CCCCC1 ZINC001307598284 932974449 /nfs/dbraw/zinc/97/44/49/932974449.db2.gz VTCPQZNNRJMMRJ-QWHCGFSZSA-N 0 3 268.351 3.438 20 30 CGEDHN C=CCCCCNCc1sc(N(C)C)nc1Cl ZINC001308706133 933163108 /nfs/dbraw/zinc/16/31/08/933163108.db2.gz RXOIIMBXGCIWEC-UHFFFAOYSA-N 0 3 273.833 3.308 20 30 CGEDHN C#CCN(Cc1ccccc1)Cc1c(C)cc(OC)cc1O ZINC001308755907 933171332 /nfs/dbraw/zinc/17/13/32/933171332.db2.gz VVSDWFYHWCUJLB-UHFFFAOYSA-N 0 3 295.382 3.345 20 30 CGEDHN CCC[C@@H](Cc1ccccc1)NCC1(C#N)CCOCC1 ZINC001308977295 933218891 /nfs/dbraw/zinc/21/88/91/933218891.db2.gz QDGPCOYUVSQCDH-KRWDZBQOSA-N 0 3 286.419 3.308 20 30 CGEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001316973951 933502744 /nfs/dbraw/zinc/50/27/44/933502744.db2.gz LJCIYPABYQJZCE-OAHLLOKOSA-N 0 3 292.448 3.022 20 30 CGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@](C)(F)CCCC ZINC001317502890 933605599 /nfs/dbraw/zinc/60/55/99/933605599.db2.gz LFXGQNLPFJIMKF-GOEBONIOSA-N 0 3 284.419 3.062 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001318478093 933731222 /nfs/dbraw/zinc/73/12/22/933731222.db2.gz KAWNSXOFZACJCZ-DLBZAZTESA-N 0 3 290.451 3.232 20 30 CGEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)CCC)C1CC1 ZINC001318685143 933762803 /nfs/dbraw/zinc/76/28/03/933762803.db2.gz CLGMFLKSQHPNPF-XHDPSFHLSA-N 0 3 286.847 3.050 20 30 CGEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H]1C=CCCC1)C(C)C ZINC001319922251 933958202 /nfs/dbraw/zinc/95/82/02/933958202.db2.gz LXJXQYLMWYSMGP-CABCVRRESA-N 0 3 298.858 3.216 20 30 CGEDHN C=C[C@H](COC)N[C@H]1CCc2cc(Cl)ccc21 ZINC001320305642 934028378 /nfs/dbraw/zinc/02/83/78/934028378.db2.gz BMXSERXMOPKSSB-OCCSQVGLSA-N 0 3 251.757 3.118 20 30 CGEDHN C=CCO[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC001320898142 934119506 /nfs/dbraw/zinc/11/95/06/934119506.db2.gz VAVORKLPQOWBPK-ZDUSSCGKSA-N 0 3 254.333 3.016 20 30 CGEDHN C=C[C@H](COC)N[C@H](C)c1cc2c(s1)CCCC2 ZINC001321242967 934168613 /nfs/dbraw/zinc/16/86/13/934168613.db2.gz ZTJBPOPPLFTLKU-DGCLKSJQSA-N 0 3 265.422 3.479 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001323243875 934376504 /nfs/dbraw/zinc/37/65/04/934376504.db2.gz UIQFQEQSDMNPRT-HUUCEWRRSA-N 0 3 280.456 3.214 20 30 CGEDHN Cc1ccc([C@@H](C)NCc2cccc(OCC#N)c2)c(C)n1 ZINC001323396682 934395657 /nfs/dbraw/zinc/39/56/57/934395657.db2.gz KVZBLZCNIVMQLG-CQSZACIVSA-N 0 3 295.386 3.452 20 30 CGEDHN C#CCN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)CC1CC1 ZINC001324270208 934479147 /nfs/dbraw/zinc/47/91/47/934479147.db2.gz NQABDGGUJFGYEX-OAHLLOKOSA-N 0 3 297.320 3.084 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H](CC)C(C)C)C1 ZINC001324668064 934546170 /nfs/dbraw/zinc/54/61/70/934546170.db2.gz CTOKCWGQDUQSLK-DOTOQJQBSA-N 0 3 280.456 3.215 20 30 CGEDHN CCCCCCCCCN1CCO[C@@](C)(COC)C1 ZINC001473690928 937817784 /nfs/dbraw/zinc/81/77/84/937817784.db2.gz PLXJSQDDKFMTMZ-MRXNPFEDSA-N 0 3 271.445 3.474 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001328079663 935115450 /nfs/dbraw/zinc/11/54/50/935115450.db2.gz DQPALIJJTJQSJJ-AWEZNQCLSA-N 0 3 280.456 3.071 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H](CC)C(C)C ZINC001328787642 935169012 /nfs/dbraw/zinc/16/90/12/935169012.db2.gz WUOAIKPOXCIXMI-CVEARBPZSA-N 0 3 280.456 3.168 20 30 CGEDHN N#Cc1c(F)cccc1CN[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001330639707 935306550 /nfs/dbraw/zinc/30/65/50/935306550.db2.gz VZIFPYUNNHEQJV-KGYLQXTDSA-N 0 3 280.293 3.221 20 30 CGEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2ccsc2)C1 ZINC001331545188 935390675 /nfs/dbraw/zinc/39/06/75/935390675.db2.gz FBPIZVHZJPZDRZ-ZDUSSCGKSA-N 0 3 292.448 3.041 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CC1)c1ccc(C)cc1 ZINC001332093494 935439818 /nfs/dbraw/zinc/43/98/18/935439818.db2.gz CRVGQHLXXWZPNF-HNNXBMFYSA-N 0 3 292.810 3.208 20 30 CGEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C(C)C ZINC001332711916 935484590 /nfs/dbraw/zinc/48/45/90/935484590.db2.gz YBCDVAPNJQEARW-ZACQAIPSSA-N 0 3 292.467 3.168 20 30 CGEDHN C=CCN1CCC(Nc2cc(C)cc(F)c2C#N)CC1 ZINC001335434624 936145070 /nfs/dbraw/zinc/14/50/70/936145070.db2.gz ZVWLJHHVUKKORM-UHFFFAOYSA-N 0 3 273.355 3.068 20 30 CGEDHN C#CCN(Cc1cccc(OCCCC#N)c1)C(C)C ZINC001336857825 936222835 /nfs/dbraw/zinc/22/28/35/936222835.db2.gz JDSAPEOQKXYOTA-UHFFFAOYSA-N 0 3 270.376 3.213 20 30 CGEDHN C=CCCC[C@@H](NCC(=O)NCC1CC1)c1ccccc1 ZINC001473759474 937820779 /nfs/dbraw/zinc/82/07/79/937820779.db2.gz HOANHLSIEDEDCH-QGZVFWFLSA-N 0 3 286.419 3.200 20 30 CGEDHN C#CCC1(NCC(=O)Nc2ccc(C(C)(C)C)cc2)CCC1 ZINC001473820121 937823651 /nfs/dbraw/zinc/82/36/51/937823651.db2.gz YVQUWXXHUHMZFU-UHFFFAOYSA-N 0 3 298.430 3.458 20 30 CGEDHN C#CCOc1cccc(Cl)c1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC001474350048 937853233 /nfs/dbraw/zinc/85/32/33/937853233.db2.gz DQBDVTLWGZXUAO-OKILXGFUSA-N 0 3 289.806 3.440 20 30 CGEDHN CCCCCCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001478589937 937907788 /nfs/dbraw/zinc/90/77/88/937907788.db2.gz BGLZMFJUYVGIRS-MRXNPFEDSA-N 0 3 295.471 3.273 20 30 CGEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C(CC)CC)C1 ZINC001479435792 937920857 /nfs/dbraw/zinc/92/08/57/937920857.db2.gz WUQARWLLJSKLDY-GXTWGEPZSA-N 0 3 286.847 3.050 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H](C)CCC ZINC001479733475 937924404 /nfs/dbraw/zinc/92/44/04/937924404.db2.gz UCZQIEATUFKUSZ-CVEARBPZSA-N 0 3 280.456 3.312 20 30 CGEDHN CCCCCCCN1CC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001479944488 937929778 /nfs/dbraw/zinc/92/97/78/937929778.db2.gz VELPQEMJEXYZRL-HNNXBMFYSA-N 0 3 292.423 3.363 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNC[C@H](F)CC ZINC001480356251 937937111 /nfs/dbraw/zinc/93/71/11/937937111.db2.gz CFLRNQOJZBNTDM-HUUCEWRRSA-N 0 3 298.446 3.308 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)/C(C)=C/CC)C1 ZINC001493939240 937952239 /nfs/dbraw/zinc/95/22/39/937952239.db2.gz KOPSGIBCAHHCNY-WPBGYSLVSA-N 0 3 278.440 3.232 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)C(C)C)C1 ZINC001493968926 937952595 /nfs/dbraw/zinc/95/25/95/937952595.db2.gz MWGSAOGPCLLKBC-JKSUJKDBSA-N 0 3 280.456 3.168 20 30 CGEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001494327020 937954438 /nfs/dbraw/zinc/95/44/38/937954438.db2.gz MSOADWBSPOFKMR-HOTGVXAUSA-N 0 3 292.467 3.053 20 30 CGEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)CC(C)C ZINC001496819677 937964120 /nfs/dbraw/zinc/96/41/20/937964120.db2.gz SPMCFZHWEASJRP-HNNXBMFYSA-N 0 3 268.445 3.025 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)cc1 ZINC001498370073 937969205 /nfs/dbraw/zinc/96/92/05/937969205.db2.gz UNRLQVVIYPELCN-INIZCTEOSA-N 0 3 288.435 3.288 20 30 CGEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccccc1CC ZINC001499047533 937972172 /nfs/dbraw/zinc/97/21/72/937972172.db2.gz JLORGBZVMMUOML-MRXNPFEDSA-N 0 3 286.419 3.019 20 30 CGEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001499071837 937972399 /nfs/dbraw/zinc/97/23/99/937972399.db2.gz KVYNMJNTDQPGEF-JKSUJKDBSA-N 0 3 292.467 3.338 20 30 CGEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001499106910 937972612 /nfs/dbraw/zinc/97/26/12/937972612.db2.gz NHECXBKPTMWQAR-HNNXBMFYSA-N 0 3 292.810 3.110 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)c2cccs2)C1 ZINC001500258536 937976656 /nfs/dbraw/zinc/97/66/56/937976656.db2.gz UPJOHRQEBXPFOE-CJNGLKHVSA-N 0 3 292.448 3.008 20 30 CGEDHN C=CCCC(=O)N1CCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001502541394 937982690 /nfs/dbraw/zinc/98/26/90/937982690.db2.gz NUXPYNRCDZREDW-RDJZCZTQSA-N 0 3 296.430 3.015 20 30 CGEDHN C=C/C(C)=C\CC(=O)N[C@@H]1CCCN(CC(=C)C)[C@@H]1C ZINC001507381646 937995701 /nfs/dbraw/zinc/99/57/01/937995701.db2.gz JUENCULYWASLSX-KUKCEQTMSA-N 0 3 276.424 3.054 20 30 CGEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CCCCC1(C)C ZINC001517046632 938011058 /nfs/dbraw/zinc/01/10/58/938011058.db2.gz ORQSTFIRKJLMGJ-GHMZBOCLSA-N 0 3 293.798 3.466 20 30 CGEDHN C#CCN(Cc1ccc(F)cc1)CC1(O)CCCCCC1 ZINC001559513579 938228407 /nfs/dbraw/zinc/22/84/07/938228407.db2.gz CRLHEMZWOAOUDJ-UHFFFAOYSA-N 0 3 289.394 3.346 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)ccn2)C12CCCCC2 ZINC001559811061 938236261 /nfs/dbraw/zinc/23/62/61/938236261.db2.gz CIAPFVUSOCRWLY-SJORKVTESA-N 0 3 299.418 3.171 20 30 CGEDHN CN(Cc1cccc(C#N)c1F)C[C@]12CCC[C@H]1OCC2 ZINC001560235321 938248468 /nfs/dbraw/zinc/24/84/68/938248468.db2.gz HLOGRLNIAYHFCJ-NVXWUHKLSA-N 0 3 288.366 3.088 20 30 CGEDHN N#Cc1csc(CNCc2cccc3[nH]ccc32)c1 ZINC001560567242 938263153 /nfs/dbraw/zinc/26/31/53/938263153.db2.gz AENVTKLQZVIIAF-UHFFFAOYSA-N 0 3 267.357 3.391 20 30 CGEDHN CCCCCC(CCCCC)[NH2+][C@H]1CCCN([O-])C1=O ZINC001560912447 938283603 /nfs/dbraw/zinc/28/36/03/938283603.db2.gz HEHSVFSZMUYFFH-HNNXBMFYSA-N 0 3 284.444 3.485 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001490872197 958809922 /nfs/dbraw/zinc/80/99/22/958809922.db2.gz QIZJLPIBQKRYHK-IHRRRGAJSA-N 0 3 286.847 3.192 20 30 CGEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H](C2CC2)C1 ZINC001577426217 960480140 /nfs/dbraw/zinc/48/01/40/960480140.db2.gz JAGOMYVQWOPDDI-HOTGVXAUSA-N 0 3 280.456 3.323 20 30 CGEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](NCC(=C)Cl)C1 ZINC001565907295 960856948 /nfs/dbraw/zinc/85/69/48/960856948.db2.gz BTKBXJVVQVVCJU-SQWLQELKSA-N 0 3 298.858 3.216 20 30 CGEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC001566117889 960894497 /nfs/dbraw/zinc/89/44/97/960894497.db2.gz VOOSWSWTBWYNTQ-INIZCTEOSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC(=C)C ZINC001567674946 961387858 /nfs/dbraw/zinc/38/78/58/961387858.db2.gz YGMRWTOXOLKRGY-IYBDPMFKSA-N 0 3 290.451 3.230 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001567874320 961450785 /nfs/dbraw/zinc/45/07/85/961450785.db2.gz PQNSPWFRNCWQRG-INIZCTEOSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001567873969 961451087 /nfs/dbraw/zinc/45/10/87/961451087.db2.gz HCSKXYBEZTWRKX-KRWDZBQOSA-N 0 3 286.419 3.042 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001569383806 961747932 /nfs/dbraw/zinc/74/79/32/961747932.db2.gz XZVVTTCWFXKLNA-AEFFLSMTSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](CC)CCCC)C1 ZINC001569630355 961807537 /nfs/dbraw/zinc/80/75/37/961807537.db2.gz YBQDUVBWAPNOER-DOTOQJQBSA-N 0 3 280.456 3.360 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)CCC)C(C)(C)C1 ZINC001570397436 961961362 /nfs/dbraw/zinc/96/13/62/961961362.db2.gz IHUJFPNQXCGPFS-AWEZNQCLSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001570907465 962108867 /nfs/dbraw/zinc/10/88/67/962108867.db2.gz HDWCLGVBTHSZHV-JKSUJKDBSA-N 0 3 294.483 3.461 20 30 CGEDHN C=CCN1C[C@@H](NC(=O)CC2(C)CCCCC2)C(C)(C)C1 ZINC001570898789 962109481 /nfs/dbraw/zinc/10/94/81/962109481.db2.gz BCKUQNGZEWLRCK-OAHLLOKOSA-N 0 3 292.467 3.360 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC001570905076 962110439 /nfs/dbraw/zinc/11/04/39/962110439.db2.gz MSLHKYTXPAHKGV-OAHLLOKOSA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001571113223 962120601 /nfs/dbraw/zinc/12/06/01/962120601.db2.gz BGWMWXWSUNEUPN-HDJSIYSDSA-N 0 3 298.858 3.194 20 30 CGEDHN C#CCCN(C)CCN(C(=O)C[C@H]1CC[C@@H](C)C1)C(C)C ZINC001571614018 962188083 /nfs/dbraw/zinc/18/80/83/962188083.db2.gz RJRIUNNZHZXJAH-SJORKVTESA-N 0 3 292.467 3.005 20 30 CGEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cccc(O)c1 ZINC001577429945 962542806 /nfs/dbraw/zinc/54/28/06/962542806.db2.gz CZXVDKRKNQHHJK-OAHLLOKOSA-N 0 3 278.396 3.409 20 30 CGEDHN C=CCCCCC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588593373 963287354 /nfs/dbraw/zinc/28/73/54/963287354.db2.gz CVZIYSIIMNSLIM-CQSZACIVSA-N 0 3 299.422 3.481 20 30 CGEDHN C=CCCCCC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588593373 963287363 /nfs/dbraw/zinc/28/73/63/963287363.db2.gz CVZIYSIIMNSLIM-CQSZACIVSA-N 0 3 299.422 3.481 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCCO[C@@H](c3ccccc3)C2)C1 ZINC000590159147 346833461 /nfs/dbraw/zinc/83/34/61/346833461.db2.gz WYYMBYGYBSAWES-HYVNUMGLSA-N 0 3 270.376 3.142 20 30 CGEDHN N#CC[C@@H]1CC[C@H](NCc2ncccc2C(F)(F)F)C1 ZINC000590656446 346859977 /nfs/dbraw/zinc/85/99/77/346859977.db2.gz TZOROQYQKZEOHY-QWRGUYRKSA-N 0 3 283.297 3.272 20 30 CGEDHN COc1cc(F)cc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000590653757 346859516 /nfs/dbraw/zinc/85/95/16/346859516.db2.gz MXNRPUKQEYUNQI-SFHVURJKSA-N 0 3 296.345 3.483 20 30 CGEDHN C=CC[C@@H]1CC[C@@H](NCc2noc3c2CCCC3)C1 ZINC000651813093 398291397 /nfs/dbraw/zinc/29/13/97/398291397.db2.gz WUSRXDMSUYOFTR-CHWSQXEVSA-N 0 3 260.381 3.388 20 30 CGEDHN C[C@H](N[C@@H](CO)CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000338015410 214361901 /nfs/dbraw/zinc/36/19/01/214361901.db2.gz SJXQHTSNUJZHDT-BLLLJJGKSA-N 0 3 290.382 3.289 20 30 CGEDHN C[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccsc1 ZINC000591036386 346895753 /nfs/dbraw/zinc/89/57/53/346895753.db2.gz KTWNTKDWHSLINS-LBPRGKRZSA-N 0 3 299.399 3.299 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC(c2ccncn2)CC1 ZINC000591040647 346896630 /nfs/dbraw/zinc/89/66/30/346896630.db2.gz WLWHZJPXWRFONE-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN N#Cc1ccc(CN2CC[C@H](C3CCC3)C2)cc1F ZINC000591063383 346898094 /nfs/dbraw/zinc/89/80/94/346898094.db2.gz SRUCUFQKWJTVON-HNNXBMFYSA-N 0 3 258.340 3.319 20 30 CGEDHN CC[C@@H](COCC(F)(F)F)NCc1ccc(C#N)cc1 ZINC000449380945 529522514 /nfs/dbraw/zinc/52/25/14/529522514.db2.gz PPCMXJBLFWWMJX-ZDUSSCGKSA-N 0 3 286.297 3.005 20 30 CGEDHN CC(C)CN(Cc1ccncc1C#N)C1CCCC1 ZINC000592068144 346959600 /nfs/dbraw/zinc/95/96/00/346959600.db2.gz MVVOLSCPWGVYAH-UHFFFAOYSA-N 0 3 257.381 3.354 20 30 CGEDHN CC(C)N(CC1(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154443 346967662 /nfs/dbraw/zinc/96/76/62/346967662.db2.gz STTSAULUJKZTBL-GOSISDBHSA-N 0 3 297.446 3.275 20 30 CGEDHN CCC#C[C@H](C)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592160298 346967937 /nfs/dbraw/zinc/96/79/37/346967937.db2.gz SOWLERVXDSSUHS-AWEZNQCLSA-N 0 3 279.424 3.232 20 30 CGEDHN Cc1ccccc1-n1cc(CNCC(C)(C)CC#N)cn1 ZINC000592368403 346979448 /nfs/dbraw/zinc/97/94/48/346979448.db2.gz DPTORSXZDMLZNW-UHFFFAOYSA-N 0 3 282.391 3.210 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000592392108 346982540 /nfs/dbraw/zinc/98/25/40/346982540.db2.gz AEJQTFXZDRPDNO-PWSUYJOCSA-N 0 3 294.301 3.180 20 30 CGEDHN CC(C)=CCC[C@@H](C)CCN1CC[C@@](O)(CC#N)C1 ZINC000592521802 346995493 /nfs/dbraw/zinc/99/54/93/346995493.db2.gz CHESCNQSPZSSPB-CVEARBPZSA-N 0 3 264.413 3.109 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623856264 349897286 /nfs/dbraw/zinc/89/72/86/349897286.db2.gz QLWNIJAUCFBJPO-HOCLYGCPSA-N 0 3 293.455 3.047 20 30 CGEDHN Cc1cc(CN2CCC[C@H](OC(C)C)C2)ccc1C#N ZINC000593054679 347033210 /nfs/dbraw/zinc/03/32/10/347033210.db2.gz YYUQFWNTQBZPOC-KRWDZBQOSA-N 0 3 272.392 3.256 20 30 CGEDHN C=CCCCCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623899940 349910190 /nfs/dbraw/zinc/91/01/90/349910190.db2.gz YHBULDYNHUYQJA-INIZCTEOSA-N 0 3 293.455 3.049 20 30 CGEDHN Oc1ccccc1/C=N/[C@@H]1CCN(Cc2ccccc2)C1 ZINC000005291566 344861421 /nfs/dbraw/zinc/86/14/21/344861421.db2.gz ZKSWOPXEHZPXIM-MIQLPHMESA-N 0 3 280.371 3.086 20 30 CGEDHN C[C@@H](c1ccco1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000072583582 345413699 /nfs/dbraw/zinc/41/36/99/345413699.db2.gz XZXRZVNVXFJSHT-ZDUSSCGKSA-N 0 3 297.358 3.173 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@H](COCC)C1 ZINC000093838975 345889026 /nfs/dbraw/zinc/88/90/26/345889026.db2.gz MZILDDFAVTXAFT-HNNXBMFYSA-N 0 3 275.392 3.110 20 30 CGEDHN CC(C)CCO[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000119726273 345994447 /nfs/dbraw/zinc/99/44/47/345994447.db2.gz QBPRRFRQIFHPGQ-CQSZACIVSA-N 0 3 252.402 3.063 20 30 CGEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000121145297 346000600 /nfs/dbraw/zinc/00/06/00/346000600.db2.gz BYWLIXIOBTWCFI-ZDUSSCGKSA-N 0 3 294.826 3.415 20 30 CGEDHN C=CCNC(=O)CN(CCCC)[C@H](C)c1ccccc1 ZINC000123361811 346009047 /nfs/dbraw/zinc/00/90/47/346009047.db2.gz DYNJHDOCWUNBQZ-OAHLLOKOSA-N 0 3 274.408 3.152 20 30 CGEDHN COc1cc(C)cc(CNCc2cccc(C#N)c2)c1 ZINC000127359887 346030564 /nfs/dbraw/zinc/03/05/64/346030564.db2.gz VHZAGHPSRHBZBI-UHFFFAOYSA-N 0 3 266.344 3.165 20 30 CGEDHN COC(=O)[C@H](C)[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000131922498 346068604 /nfs/dbraw/zinc/06/86/04/346068604.db2.gz SHCBYBPESONFAF-HIFRSBDPSA-N 0 3 288.391 3.066 20 30 CGEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@H]2CC)CC1 ZINC000172488338 346225235 /nfs/dbraw/zinc/22/52/35/346225235.db2.gz FHYVMUDJFCOKIJ-MRXNPFEDSA-N 0 3 293.455 3.001 20 30 CGEDHN C=CCCN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000624011882 349946359 /nfs/dbraw/zinc/94/63/59/349946359.db2.gz LFQOJRCIAPNLBN-CYBMUJFWSA-N 0 3 255.365 3.314 20 30 CGEDHN CCc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000237177262 346344958 /nfs/dbraw/zinc/34/49/58/346344958.db2.gz MIXNPRIKVKXNBE-UHFFFAOYSA-N 0 3 280.371 3.289 20 30 CGEDHN C[C@@H]1C[C@@H](Nc2cccc(C#N)n2)CN1Cc1ccccc1 ZINC000339217337 215019193 /nfs/dbraw/zinc/01/91/93/215019193.db2.gz LBMBXGQREKICFQ-RHSMWYFYSA-N 0 3 292.386 3.028 20 30 CGEDHN COC[C@H](CC(C)(C)C)NCc1cccc(C#N)c1 ZINC000593589502 347092702 /nfs/dbraw/zinc/09/27/02/347092702.db2.gz VIKYEZBUIZWHAN-HNNXBMFYSA-N 0 3 260.381 3.099 20 30 CGEDHN COc1cccc(OC)c1CNCC(C)(C)CCC#N ZINC000342275178 346504952 /nfs/dbraw/zinc/50/49/52/346504952.db2.gz AJNKFMYOWSQEQR-UHFFFAOYSA-N 0 3 276.380 3.123 20 30 CGEDHN C=C(C)COCCN[C@H]1CCCc2ccc(F)cc21 ZINC000344307645 346506972 /nfs/dbraw/zinc/50/69/72/346506972.db2.gz XMPVZRJIVHHMAU-INIZCTEOSA-N 0 3 263.356 3.385 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000335999277 346497722 /nfs/dbraw/zinc/49/77/22/346497722.db2.gz NPQCCLPZZXUIDR-MFKMUULPSA-N 0 3 262.740 3.163 20 30 CGEDHN C[C@H](C(=O)N(CCC#N)CC(C)(C)C)N1[C@H](C)CC[C@H]1C ZINC000412224180 346607554 /nfs/dbraw/zinc/60/75/54/346607554.db2.gz ZJDBRQJEBYTKOG-RBSFLKMASA-N 0 3 293.455 3.036 20 30 CGEDHN C=CCOCCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000583571905 346680821 /nfs/dbraw/zinc/68/08/21/346680821.db2.gz DBBUPZDAXGCHCL-UHFFFAOYSA-N 0 3 285.309 3.487 20 30 CGEDHN C[C@H]1CN(Cc2ccc(C#N)o2)CCc2ccc(F)cc21 ZINC000593695335 347104744 /nfs/dbraw/zinc/10/47/44/347104744.db2.gz KZXZIGFODZYNOF-LBPRGKRZSA-N 0 3 284.334 3.452 20 30 CGEDHN N#CCCCNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594038214 347141795 /nfs/dbraw/zinc/14/17/95/347141795.db2.gz MJUOHJKTIYCXTD-UHFFFAOYSA-N 0 3 284.281 3.468 20 30 CGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCCC#N)C1 ZINC000593967741 347125581 /nfs/dbraw/zinc/12/55/81/347125581.db2.gz XNLZYNONPINGRF-NVXWUHKLSA-N 0 3 299.418 3.022 20 30 CGEDHN Cc1cccc([C@@H]2CCN(Cc3ccc(C#N)cn3)C2)c1 ZINC000593976854 347128240 /nfs/dbraw/zinc/12/82/40/347128240.db2.gz JZSKJJRHSYLHHV-QGZVFWFLSA-N 0 3 277.371 3.251 20 30 CGEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1cc(C)cc(C)c1 ZINC000594427145 347173893 /nfs/dbraw/zinc/17/38/93/347173893.db2.gz HJSLLTXIMZIERC-MRXNPFEDSA-N 0 3 287.407 3.068 20 30 CGEDHN CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594424645 347173955 /nfs/dbraw/zinc/17/39/55/347173955.db2.gz CHNMABQUBKXITB-HOTGVXAUSA-N 0 3 287.407 3.055 20 30 CGEDHN CC(C)(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594424334 347174102 /nfs/dbraw/zinc/17/41/02/347174102.db2.gz AUAMLWRZNMZCJH-HNNXBMFYSA-N 0 3 287.407 3.334 20 30 CGEDHN Cc1noc(C)c1[C@@H](C)CNCc1ccc(C#N)s1 ZINC000128467307 187372251 /nfs/dbraw/zinc/37/22/51/187372251.db2.gz RBQXZJUDVUEETI-VIFPVBQESA-N 0 3 275.377 3.118 20 30 CGEDHN C[C@@H]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)CS1 ZINC000594497601 347179251 /nfs/dbraw/zinc/17/92/51/347179251.db2.gz IKRXAFCQBQRSKC-IUODEOHRSA-N 0 3 272.417 3.421 20 30 CGEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(F)c1 ZINC000594994047 347251489 /nfs/dbraw/zinc/25/14/89/347251489.db2.gz DCTXGFGTTHWXKV-CGTJXYLNSA-N 0 3 296.320 3.264 20 30 CGEDHN C=CCSCCNCc1cccc(F)c1OC(F)F ZINC000594919978 347229631 /nfs/dbraw/zinc/22/96/31/347229631.db2.gz LPRUDPBDHPANKR-UHFFFAOYSA-N 0 3 291.338 3.436 20 30 CGEDHN C=CCSCCNCc1cccc(OC2CC2)c1F ZINC000594922308 347230118 /nfs/dbraw/zinc/23/01/18/347230118.db2.gz SHFOJQGGDLUMIX-UHFFFAOYSA-N 0 3 281.396 3.376 20 30 CGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2COC(C)(C)C2)cc1 ZINC000594952344 347239110 /nfs/dbraw/zinc/23/91/10/347239110.db2.gz CINDGHJPLGXXDF-HNNXBMFYSA-N 0 3 272.392 3.145 20 30 CGEDHN CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000594951107 347239217 /nfs/dbraw/zinc/23/92/17/347239217.db2.gz QMVSEBRMEIAGMA-DZGCQCFKSA-N 0 3 258.365 3.176 20 30 CGEDHN Cc1cccc2[nH]c(CN[C@@H]3CC[C@H](C#N)C3)cc21 ZINC000594951125 347239252 /nfs/dbraw/zinc/23/92/52/347239252.db2.gz QZPMWOQWPXALFS-QWHCGFSZSA-N 0 3 253.349 3.258 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(C#N)cs1 ZINC000594962828 347243082 /nfs/dbraw/zinc/24/30/82/347243082.db2.gz KXVCNPVZHIUWPS-WCQYABFASA-N 0 3 261.394 3.239 20 30 CGEDHN N#Cc1ccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)s1 ZINC000594972481 347246183 /nfs/dbraw/zinc/24/61/83/347246183.db2.gz GSLATLXJLHOWLJ-MQMHXKEQSA-N 0 3 284.384 3.319 20 30 CGEDHN COC(=O)C[C@@H]1CC[C@@H](NCC2(C#N)CCCCC2)[C@H]1C ZINC000594981135 347248025 /nfs/dbraw/zinc/24/80/25/347248025.db2.gz HLVKKXFQNBWSAH-SOUVJXGZSA-N 0 3 292.423 3.028 20 30 CGEDHN CO[C@H](CN(C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000595286733 347286303 /nfs/dbraw/zinc/28/63/03/347286303.db2.gz GTCKLAUNGGCBMS-QGZVFWFLSA-N 0 3 272.392 3.195 20 30 CGEDHN C[C@@H](c1ccccn1)N(C)CCc1ccc(C#N)cc1 ZINC000595393104 347298487 /nfs/dbraw/zinc/29/84/87/347298487.db2.gz WONPUGSCRIPKNX-AWEZNQCLSA-N 0 3 265.360 3.189 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1COC2(CCC2)C1 ZINC000595045305 347268032 /nfs/dbraw/zinc/26/80/32/347268032.db2.gz TWLXRDNLDKYOBN-NVXWUHKLSA-N 0 3 282.387 3.237 20 30 CGEDHN N#Cc1ccc(CCN[C@@H]2CCCc3cccnc32)cc1 ZINC000595055195 347270725 /nfs/dbraw/zinc/27/07/25/347270725.db2.gz AOFRHXJYBKQVAO-QGZVFWFLSA-N 0 3 277.371 3.163 20 30 CGEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ccncc1Cl ZINC000595056788 347271782 /nfs/dbraw/zinc/27/17/82/347271782.db2.gz WJQIADBTNUQOPO-LBPRGKRZSA-N 0 3 285.778 3.500 20 30 CGEDHN C=CCCSCCN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000595061058 347274648 /nfs/dbraw/zinc/27/46/48/347274648.db2.gz XVZMDUWNVOGQKR-LLVKDONJSA-N 0 3 299.461 3.495 20 30 CGEDHN COCc1csc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000595079367 347278664 /nfs/dbraw/zinc/27/86/64/347278664.db2.gz WZCHSBWQDNQVHT-WCQYABFASA-N 0 3 264.394 3.066 20 30 CGEDHN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccc(C#N)c(F)c1 ZINC000595082803 347279634 /nfs/dbraw/zinc/27/96/34/347279634.db2.gz XYUIMPHRJLZWGG-XUJVJEKNSA-N 0 3 276.355 3.306 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1onc(C)c1[N+](=O)[O-] ZINC000595602014 347324076 /nfs/dbraw/zinc/32/40/76/347324076.db2.gz FPWFXIDQLLDNCN-VXGBXAGGSA-N 0 3 279.340 3.116 20 30 CGEDHN C=CC[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000595661368 347335689 /nfs/dbraw/zinc/33/56/89/347335689.db2.gz ZPUMZHOHLKLZII-AWEZNQCLSA-N 0 3 270.376 3.355 20 30 CGEDHN Cc1csc([C@H](C)NCCc2ccc(C#N)cc2)n1 ZINC000595428764 347302578 /nfs/dbraw/zinc/30/25/78/347302578.db2.gz KKJXRDVXFNCBTR-LBPRGKRZSA-N 0 3 271.389 3.217 20 30 CGEDHN N#Cc1ccc(CCN2CCC=C(c3ccco3)C2)cc1 ZINC000595485829 347310963 /nfs/dbraw/zinc/31/09/63/347310963.db2.gz YJVUOKGLOFPWGM-UHFFFAOYSA-N 0 3 278.355 3.483 20 30 CGEDHN N#Cc1ccc(CCN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000595490439 347311499 /nfs/dbraw/zinc/31/14/99/347311499.db2.gz KYZOVPDENQGXCL-ZWKOTPCHSA-N 0 3 296.414 3.134 20 30 CGEDHN N#Cc1ccc(CCN2CCC=C(c3cccnc3)C2)cc1 ZINC000595494909 347311714 /nfs/dbraw/zinc/31/17/14/347311714.db2.gz DJRJLLSHGJMXTP-UHFFFAOYSA-N 0 3 289.382 3.285 20 30 CGEDHN CC(C)N1CCCC[C@@H]1COc1ccccc1C#N ZINC000596236863 347402325 /nfs/dbraw/zinc/40/23/25/347402325.db2.gz NDWVMXMPWAVPFF-OAHLLOKOSA-N 0 3 258.365 3.200 20 30 CGEDHN CC(C)CC1(N[C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000595835642 347363587 /nfs/dbraw/zinc/36/35/87/347363587.db2.gz VLCIUQNEHJRQRR-CYBMUJFWSA-N 0 3 285.391 3.054 20 30 CGEDHN C=CCCCN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595921716 347372643 /nfs/dbraw/zinc/37/26/43/347372643.db2.gz WLGKCJMNWQWWCG-LBPRGKRZSA-N 0 3 294.420 3.075 20 30 CGEDHN N#CC[C@@H]1CCCN(Cc2ccc(OCC(F)F)cc2)C1 ZINC000597174267 347544124 /nfs/dbraw/zinc/54/41/24/347544124.db2.gz ONWGHPGJWZZVEK-ZDUSSCGKSA-N 0 3 294.345 3.456 20 30 CGEDHN C=CCC(C)(C)CNCc1cc(C)c(C(=O)OC)o1 ZINC000597137129 347539046 /nfs/dbraw/zinc/53/90/46/347539046.db2.gz YYZITTVAQGFYFQ-UHFFFAOYSA-N 0 3 265.353 3.067 20 30 CGEDHN CN(Cc1ccc(C#N)o1)C[C@H]1CCc2ccccc21 ZINC000597238288 347560831 /nfs/dbraw/zinc/56/08/31/347560831.db2.gz GFNCNWKJXMYWDL-CQSZACIVSA-N 0 3 266.344 3.313 20 30 CGEDHN CC1(C)C[C@]1(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000598386558 347652467 /nfs/dbraw/zinc/65/24/67/347652467.db2.gz QLWIVXBUKNVFMF-PBHICJAKSA-N 0 3 270.376 3.064 20 30 CGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@@H]1CCCCO1 ZINC000599052660 347711034 /nfs/dbraw/zinc/71/10/34/347711034.db2.gz CDRAMKYBGZSXBD-KBPBESRZSA-N 0 3 250.386 3.008 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598584683 347666093 /nfs/dbraw/zinc/66/60/93/347666093.db2.gz RSUUGZYQOWVKRY-ZDUSSCGKSA-N 0 3 278.421 3.037 20 30 CGEDHN CN(Cc1ccc(Cl)s1)C[C@H](O)CC(C)(C)C#N ZINC000598584698 347666237 /nfs/dbraw/zinc/66/62/37/347666237.db2.gz SCSWPCAXINENFR-SNVBAGLBSA-N 0 3 286.828 3.134 20 30 CGEDHN CCN(Cc1cccc(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598586393 347666564 /nfs/dbraw/zinc/66/65/64/347666564.db2.gz STKASMKVRLHEKQ-HNNXBMFYSA-N 0 3 294.826 3.463 20 30 CGEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000598598000 347669277 /nfs/dbraw/zinc/66/92/77/347669277.db2.gz LVPHVGFGRXVWFK-HOTGVXAUSA-N 0 3 286.419 3.370 20 30 CGEDHN Cc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C#N ZINC000599331080 347736144 /nfs/dbraw/zinc/73/61/44/347736144.db2.gz GHOPNCMFRGTQBH-CRAIPNDOSA-N 0 3 294.402 3.146 20 30 CGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512427 347749481 /nfs/dbraw/zinc/74/94/81/347749481.db2.gz JRFRWIHUUXGMDX-TXEJJXNPSA-N 0 3 264.319 3.281 20 30 CGEDHN C=CC(C)(C)CCNCc1cc(C(=O)OC)c(C)o1 ZINC000600184486 347790382 /nfs/dbraw/zinc/79/03/82/347790382.db2.gz MRIIMGRJYNBRJQ-UHFFFAOYSA-N 0 3 265.353 3.067 20 30 CGEDHN CN(CCS[C@H](C#N)C1CC1)Cc1ccccc1 ZINC000601081463 347865748 /nfs/dbraw/zinc/86/57/48/347865748.db2.gz NYFHKGSZAMZDNV-OAHLLOKOSA-N 0 3 260.406 3.154 20 30 CGEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@H](C)O1 ZINC000601149405 347874855 /nfs/dbraw/zinc/87/48/55/347874855.db2.gz JYBZREHMFNWCKE-ISTVAULSSA-N 0 3 298.308 3.233 20 30 CGEDHN N#CC1(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCCCC1 ZINC000601284118 347888699 /nfs/dbraw/zinc/88/86/99/347888699.db2.gz GOJQYJXEYXMNOV-JYJNAYRXSA-N 0 3 288.435 3.398 20 30 CGEDHN COc1cccc2c1OCCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000601283120 347888849 /nfs/dbraw/zinc/88/88/49/347888849.db2.gz OSNFREVEMVUSTG-GUTXKFCHSA-N 0 3 286.375 3.191 20 30 CGEDHN N#CC1(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCCCC1 ZINC000601284119 347888927 /nfs/dbraw/zinc/88/89/27/347888927.db2.gz GOJQYJXEYXMNOV-XHSDSOJGSA-N 0 3 288.435 3.398 20 30 CGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000601305496 347890510 /nfs/dbraw/zinc/89/05/10/347890510.db2.gz WMRDKJAEPUFKRF-LOWVWBTDSA-N 0 3 285.347 3.266 20 30 CGEDHN C[C@]1(c2ccccc2)CC[C@H](N2CCN(CCC#N)CC2)C1 ZINC000601316373 347891020 /nfs/dbraw/zinc/89/10/20/347891020.db2.gz KNRAEIDYFSIYNP-OALUTQOASA-N 0 3 297.446 3.028 20 30 CGEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCC(F)(F)C1 ZINC000602015654 347933263 /nfs/dbraw/zinc/93/32/63/347933263.db2.gz FUAQZTCGYCQHDD-SNVBAGLBSA-N 0 3 268.282 3.222 20 30 CGEDHN CC(C)C[C@@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602016771 347933542 /nfs/dbraw/zinc/93/35/42/347933542.db2.gz ZVHPRNLIROHKKH-HUUCEWRRSA-N 0 3 290.382 3.381 20 30 CGEDHN C=CCCSCCNCc1ccc2nccnc2c1 ZINC000602027998 347934918 /nfs/dbraw/zinc/93/49/18/347934918.db2.gz LHOJZAPGBMMRTK-UHFFFAOYSA-N 0 3 273.405 3.029 20 30 CGEDHN CC(C)(C)C[C@@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602454706 347961417 /nfs/dbraw/zinc/96/14/17/347961417.db2.gz RUUIQNUVTHSDSM-HNNXBMFYSA-N 0 3 257.381 3.354 20 30 CGEDHN CC[C@@H](C)[C@H](C)N(Cc1cccc(C#N)n1)C1CC1 ZINC000602465377 347963001 /nfs/dbraw/zinc/96/30/01/347963001.db2.gz QCHYXUDKEIQFTJ-OLZOCXBDSA-N 0 3 257.381 3.352 20 30 CGEDHN C[C@H](CCC#N)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000602474335 347965072 /nfs/dbraw/zinc/96/50/72/347965072.db2.gz HAKWKKKHPBQWLC-RDBSUJKOSA-N 0 3 252.427 3.286 20 30 CGEDHN C[C@@H](CCC#N)CNCc1cn2cc(Cl)ccc2n1 ZINC000602509921 347972989 /nfs/dbraw/zinc/97/29/89/347972989.db2.gz HSVMQLNGBCUOQY-NSHDSACASA-N 0 3 276.771 3.017 20 30 CGEDHN C[C@H](CCC#N)CN1Cc2ccccc2OC[C@H]1C ZINC000602598717 347991034 /nfs/dbraw/zinc/99/10/34/347991034.db2.gz DUNHYCMEYMTNTC-ZIAGYGMSSA-N 0 3 258.365 3.209 20 30 CGEDHN Cn1c(CN2CCC(CC#N)CC2)cc2ccccc21 ZINC000602598574 347991099 /nfs/dbraw/zinc/99/10/99/347991099.db2.gz WWXRSVOBOXCCJF-UHFFFAOYSA-N 0 3 267.376 3.304 20 30 CGEDHN C[C@@H](CCC#N)CNC(C)(C)c1nc2ccccc2n1C ZINC000602617118 347994706 /nfs/dbraw/zinc/99/47/06/347994706.db2.gz ALYKPVMXBFQIPG-ZDUSSCGKSA-N 0 3 284.407 3.338 20 30 CGEDHN C[C@H](CCC#N)CNCc1nc2cc(Cl)ccc2n1C ZINC000602622907 347996071 /nfs/dbraw/zinc/99/60/71/347996071.db2.gz NQPFKMNHJJMOPK-LLVKDONJSA-N 0 3 290.798 3.256 20 30 CGEDHN C=CCC1(CNCc2cccc(C#N)n2)CCCC1 ZINC000602684799 348009036 /nfs/dbraw/zinc/00/90/36/348009036.db2.gz VAJUWYMXKFPDEZ-UHFFFAOYSA-N 0 3 255.365 3.179 20 30 CGEDHN C[C@@H](CCC#N)CNc1ccc(CN(C)C)cc1F ZINC000602692884 348010598 /nfs/dbraw/zinc/01/05/98/348010598.db2.gz ZRBYTGSXHGWIDO-LBPRGKRZSA-N 0 3 263.360 3.239 20 30 CGEDHN CO[C@H](CNCc1ccc(CC#N)cc1)Cc1ccccc1 ZINC000602697851 348011314 /nfs/dbraw/zinc/01/13/14/348011314.db2.gz BBXKIXHEQQRDRM-IBGZPJMESA-N 0 3 294.398 3.100 20 30 CGEDHN C[C@H](CCC#N)CN[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000602714108 348015831 /nfs/dbraw/zinc/01/58/31/348015831.db2.gz GGXGACUQOIHWRL-GDBMZVCRSA-N 0 3 294.402 3.389 20 30 CGEDHN N#CCC1(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000602759887 348024470 /nfs/dbraw/zinc/02/44/70/348024470.db2.gz NLHHFQSHHPEPGN-HNNXBMFYSA-N 0 3 298.386 3.289 20 30 CGEDHN CCc1nc([C@@H](C)NC[C@@H](C)CCC#N)cs1 ZINC000602553941 347980669 /nfs/dbraw/zinc/98/06/69/347980669.db2.gz LJWZWMORQFEDPT-WDEREUQCSA-N 0 3 251.399 3.296 20 30 CGEDHN CC(C)(CNCc1cccc(C#N)n1)c1cccs1 ZINC000602558105 347981487 /nfs/dbraw/zinc/98/14/87/347981487.db2.gz RGCQCKXGHDIZBW-UHFFFAOYSA-N 0 3 271.389 3.082 20 30 CGEDHN CCc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602560772 347982156 /nfs/dbraw/zinc/98/21/56/347982156.db2.gz UAMVRNMMGWQYKZ-OAHLLOKOSA-N 0 3 286.419 3.438 20 30 CGEDHN COc1cccc(F)c1[C@H](C)NC[C@@H](C)CCC#N ZINC000602560481 347982330 /nfs/dbraw/zinc/98/23/30/347982330.db2.gz XNGPFBHYRZFPOQ-RYUDHWBXSA-N 0 3 264.344 3.425 20 30 CGEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)n2)C1(CC)CC ZINC000602562259 347982666 /nfs/dbraw/zinc/98/26/66/347982666.db2.gz JAFWTKIXJBJQDZ-CVEARBPZSA-N 0 3 287.407 3.027 20 30 CGEDHN CN1CC=C(CNc2cccc(-n3cccc3)c2C#N)CC1 ZINC000603330281 348072005 /nfs/dbraw/zinc/07/20/05/348072005.db2.gz NBGIJCVSHQWHDC-UHFFFAOYSA-N 0 3 292.386 3.023 20 30 CGEDHN N#CCC1(CN(CCO)[C@H]2CCCc3ccccc32)CC1 ZINC000602790661 348030783 /nfs/dbraw/zinc/03/07/83/348030783.db2.gz MGRPHEXTJCFFHD-KRWDZBQOSA-N 0 3 284.403 3.052 20 30 CGEDHN C[C@H]1C[C@@H](c2cccnc2)N(CC2(CC#N)CC2)C1 ZINC000602807046 348032597 /nfs/dbraw/zinc/03/25/97/348032597.db2.gz HJXOYDFZOFKVDU-ZFWWWQNUSA-N 0 3 255.365 3.158 20 30 CGEDHN CC(C)(CO)[C@H](NCC1(CC#N)CC1)c1cccs1 ZINC000602834135 348034681 /nfs/dbraw/zinc/03/46/81/348034681.db2.gz QSYHEMVOHRUQFT-CYBMUJFWSA-N 0 3 278.421 3.091 20 30 CGEDHN Cc1cccc(CN2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602907741 348042444 /nfs/dbraw/zinc/04/24/44/348042444.db2.gz UTKKWOCMKHIBJR-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN Cc1cncc(CN2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602907098 348042567 /nfs/dbraw/zinc/04/25/67/348042567.db2.gz LEMCOVZKTTUFEJ-UHFFFAOYSA-N 0 3 292.386 3.036 20 30 CGEDHN C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@H](CO)C1 ZINC000602930289 348046195 /nfs/dbraw/zinc/04/61/95/348046195.db2.gz CCSNQQUYSUUATB-ZBFHGGJFSA-N 0 3 286.419 3.081 20 30 CGEDHN Cc1nccc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000603834023 348097436 /nfs/dbraw/zinc/09/74/36/348097436.db2.gz DBKTXDDENOSBFW-QGZVFWFLSA-N 0 3 292.386 3.036 20 30 CGEDHN C=CCCCCCN(C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000606902660 348206828 /nfs/dbraw/zinc/20/68/28/348206828.db2.gz IPWUUEPHLGDQBD-HZPDHXFCSA-N 0 3 280.456 3.454 20 30 CGEDHN C[C@@]1(CNCc2ccc(C#N)o2)C[C@@H]1c1ccccc1 ZINC000339451779 215180601 /nfs/dbraw/zinc/18/06/01/215180601.db2.gz WRHHAZMQSNMWLR-SJORKVTESA-N 0 3 266.344 3.435 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H]2Cc2cccc(F)c2)ccn1 ZINC000610991671 348413782 /nfs/dbraw/zinc/41/37/82/348413782.db2.gz CGASTNFGNZHFBW-GOSISDBHSA-N 0 3 295.361 3.299 20 30 CGEDHN N#Cc1cc(CN2CCC[C@@H](Cc3ccccc3)C2)ccn1 ZINC000610992931 348415474 /nfs/dbraw/zinc/41/54/74/348415474.db2.gz ULYKXRCSXQEYBO-KRWDZBQOSA-N 0 3 291.398 3.408 20 30 CGEDHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccnc(C#N)c1 ZINC000610994686 348416003 /nfs/dbraw/zinc/41/60/03/348416003.db2.gz MXYRGNGNXLRMMC-RDTXWAMCSA-N 0 3 277.371 3.331 20 30 CGEDHN N#Cc1cccc(CN2CCC(c3ccccn3)CC2)c1 ZINC000611090047 348422413 /nfs/dbraw/zinc/42/24/13/348422413.db2.gz IWFFVMJUZIHJGN-UHFFFAOYSA-N 0 3 277.371 3.333 20 30 CGEDHN COc1cccc(OCCN[C@H](C)c2cccc(C#N)c2)c1 ZINC000611387474 348443384 /nfs/dbraw/zinc/44/33/84/348443384.db2.gz OUEOTECOXPDZAL-CQSZACIVSA-N 0 3 296.370 3.296 20 30 CGEDHN C=CCCCC[C@@H](C)N[C@H]1Cc2ccccc2NC1=O ZINC000624182641 349994856 /nfs/dbraw/zinc/99/48/56/349994856.db2.gz LNWWCPCAYVBEQG-CJNGLKHVSA-N 0 3 272.392 3.274 20 30 CGEDHN N#Cc1cc(CN[C@@H](c2cccs2)C2CC2)ccn1 ZINC000612456419 348521489 /nfs/dbraw/zinc/52/14/89/348521489.db2.gz JUFHVXBHOYNZPQ-OAHLLOKOSA-N 0 3 269.373 3.256 20 30 CGEDHN CCN1CCC[C@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC000613409395 348598246 /nfs/dbraw/zinc/59/82/46/348598246.db2.gz ZKJNLZYQXKBKKB-AWEZNQCLSA-N 0 3 286.423 3.147 20 30 CGEDHN C[C@@H]1CSCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167970 348654185 /nfs/dbraw/zinc/65/41/85/348654185.db2.gz FESDTUNXUQRYFP-CYBMUJFWSA-N 0 3 274.433 3.425 20 30 CGEDHN C[C@@H](O)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166905 348654190 /nfs/dbraw/zinc/65/41/90/348654190.db2.gz KFNAPVPOMGCZEV-CQSZACIVSA-N 0 3 286.419 3.081 20 30 CGEDHN Cc1cc(C#N)ccc1CN1CCC([C@H]2CCOC2)CC1 ZINC000614406150 348674696 /nfs/dbraw/zinc/67/46/96/348674696.db2.gz RXRZEABVXLQTEW-SFHVURJKSA-N 0 3 284.403 3.115 20 30 CGEDHN Cc1ccncc1[C@@H](C)NCc1ccc(C#N)cc1C ZINC000614406154 348674959 /nfs/dbraw/zinc/67/49/59/348674959.db2.gz SFJSQGHEMHFFKI-CQSZACIVSA-N 0 3 265.360 3.421 20 30 CGEDHN CC(C)(CC(F)(F)F)NCc1ccc(C#N)cc1 ZINC000614822532 348695558 /nfs/dbraw/zinc/69/55/58/348695558.db2.gz XXPTZZRXOKKXNZ-UHFFFAOYSA-N 0 3 256.271 3.379 20 30 CGEDHN CCS[C@H]1CCCC[C@H]1NCc1ccnc(C#N)c1 ZINC000615799220 348766146 /nfs/dbraw/zinc/76/61/46/348766146.db2.gz IDTBRHLTGKKZIS-CABCVRRESA-N 0 3 275.421 3.107 20 30 CGEDHN Cc1cnccc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358556452 233154086 /nfs/dbraw/zinc/15/40/86/233154086.db2.gz BFRPASUKTMJSDB-CYBMUJFWSA-N 0 3 283.350 3.294 20 30 CGEDHN CO[C@@H]1CCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358561262 233155537 /nfs/dbraw/zinc/15/55/37/233155537.db2.gz GDQVPSVBFDIXMZ-AXAPSJFSSA-N 0 3 276.355 3.163 20 30 CGEDHN CO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000358567461 233156630 /nfs/dbraw/zinc/15/66/30/233156630.db2.gz CQIZUVXPDRGXAZ-COLVAYQJSA-N 0 3 276.355 3.161 20 30 CGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(C#N)c1 ZINC000618570223 349107906 /nfs/dbraw/zinc/10/79/06/349107906.db2.gz XCHCTYBITBGNJJ-DUVNUKRYSA-N 0 3 253.349 3.291 20 30 CGEDHN Cn1cc(CN[C@@H]2CCCc3ccc(F)cc32)cc1C#N ZINC000279769783 282644325 /nfs/dbraw/zinc/64/43/25/282644325.db2.gz KEDNZHIUPFQQQP-QGZVFWFLSA-N 0 3 283.350 3.203 20 30 CGEDHN CC(C)CC[C@@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000619511103 349255454 /nfs/dbraw/zinc/25/54/54/349255454.db2.gz IHCMFNRWAMFIDS-CZUORRHYSA-N 0 3 260.381 3.006 20 30 CGEDHN C=CC[C@@H]1CCN(Cc2ccc(C(F)(F)F)cn2)C1 ZINC000625701427 350199034 /nfs/dbraw/zinc/19/90/34/350199034.db2.gz JOERLSAWBXENPR-LLVKDONJSA-N 0 3 270.298 3.498 20 30 CGEDHN N#CCCCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800575 350215533 /nfs/dbraw/zinc/21/55/33/350215533.db2.gz XTMTZECQUHHDAE-SFHVURJKSA-N 0 3 298.386 3.180 20 30 CGEDHN C=CC[C@H]1CCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000625705207 350201089 /nfs/dbraw/zinc/20/10/89/350201089.db2.gz YPXBPGSWTQBUBX-AWEZNQCLSA-N 0 3 283.375 3.443 20 30 CGEDHN CCC(O)(CC)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000626110834 350262031 /nfs/dbraw/zinc/26/20/31/350262031.db2.gz SLCZBOQYOIFHOX-UHFFFAOYSA-N 0 3 279.811 3.174 20 30 CGEDHN C=CC[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000628490732 350557587 /nfs/dbraw/zinc/55/75/87/350557587.db2.gz FZLXDGXHWKAXKE-NVXWUHKLSA-N 0 3 286.419 3.104 20 30 CGEDHN C=CCC[C@H](N[C@@H](CCC)CCO)c1ccco1 ZINC000631669080 351113632 /nfs/dbraw/zinc/11/36/32/351113632.db2.gz PADQROMSCDACFJ-KBPBESRZSA-N 0 3 251.370 3.428 20 30 CGEDHN CO[C@H](C)[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000271432247 191133609 /nfs/dbraw/zinc/13/36/09/191133609.db2.gz CANMYEQCODNSQM-NWDGAFQWSA-N 0 3 285.309 3.070 20 30 CGEDHN CC(C)[C@H]1N(C[C@@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000291932747 198109784 /nfs/dbraw/zinc/10/97/84/198109784.db2.gz OPGCTOZEVUAEQD-IAGOWNOFSA-N 0 3 284.403 3.102 20 30 CGEDHN C=CCC[C@@H](O)CNC1(c2cccc(Cl)c2)CC1 ZINC000271650471 191260200 /nfs/dbraw/zinc/26/02/00/191260200.db2.gz BBAWZNYOXQPUHW-CQSZACIVSA-N 0 3 265.784 3.246 20 30 CGEDHN C[C@@H](CCN1CCC(F)(C#N)CC1)OCc1ccccc1 ZINC000352468395 295863242 /nfs/dbraw/zinc/86/32/42/295863242.db2.gz RVFJVZYPQGACPF-HNNXBMFYSA-N 0 3 290.382 3.309 20 30 CGEDHN N#C[C@H]1CC[C@@H](N2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000334736585 283065942 /nfs/dbraw/zinc/06/59/42/283065942.db2.gz MFPIVEUYTRFJEC-XJKSGUPXSA-N 0 3 268.360 3.174 20 30 CGEDHN N#C[C@H]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000442851543 283067867 /nfs/dbraw/zinc/06/78/67/283067867.db2.gz FCUNXSSJJDFOQM-PJODQICGSA-N 0 3 258.340 3.485 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412205213 235138344 /nfs/dbraw/zinc/13/83/44/235138344.db2.gz YBTCQXUFSLUABP-SCRDCRAPSA-N 0 3 285.391 3.067 20 30 CGEDHN Cc1c(C#N)cccc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000412205212 235138606 /nfs/dbraw/zinc/13/86/06/235138606.db2.gz YBTCQXUFSLUABP-OBJOEFQTSA-N 0 3 285.391 3.067 20 30 CGEDHN COCC[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000414187511 235357937 /nfs/dbraw/zinc/35/79/37/235357937.db2.gz DMJYYSFYDWRLCG-NEPJUHHUSA-N 0 3 264.344 3.021 20 30 CGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)s1 ZINC000449449817 283139228 /nfs/dbraw/zinc/13/92/28/283139228.db2.gz FBUCQTXVNQYNCE-OAGGEKHMSA-N 0 3 290.432 3.135 20 30 CGEDHN Cc1ccnc(NC[C@@H](c2cccc(F)c2)N(C)C)c1C#N ZINC000273027743 192024466 /nfs/dbraw/zinc/02/44/66/192024466.db2.gz MCXZTLICSXLBNO-INIZCTEOSA-N 0 3 298.365 3.116 20 30 CGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000349355059 283194005 /nfs/dbraw/zinc/19/40/05/283194005.db2.gz NNYOEIHHUMFPFC-LXZKKBNFSA-N 0 3 265.360 3.218 20 30 CGEDHN N#Cc1cccc(CN[C@H]2CCc3ccccc3OC2)c1 ZINC000337829270 283206473 /nfs/dbraw/zinc/20/64/73/283206473.db2.gz UZUKIFHWLMVUAJ-KRWDZBQOSA-N 0 3 278.355 3.042 20 30 CGEDHN CN(C)[C@]1(CNc2cccc(Cl)c2C#N)CCSC1 ZINC000297474072 200203284 /nfs/dbraw/zinc/20/32/84/200203284.db2.gz LBKSYWUBQNBMJS-AWEZNQCLSA-N 0 3 295.839 3.061 20 30 CGEDHN N#Cc1ccc([C@@H](O)CNC2(c3ccccc3)CCC2)cc1 ZINC000177696631 189064152 /nfs/dbraw/zinc/06/41/52/189064152.db2.gz AEWOEMMQOGPHNZ-SFHVURJKSA-N 0 3 292.382 3.261 20 30 CGEDHN CC[C@H](CNCc1ccc(C#N)o1)Oc1cccc(C)c1 ZINC000178613694 189131232 /nfs/dbraw/zinc/13/12/32/189131232.db2.gz UHUJKFVTBQOOTR-CQSZACIVSA-N 0 3 284.359 3.407 20 30 CGEDHN Cc1ccnc(N[C@H](C)[C@H](c2ccccc2)N(C)C)c1C#N ZINC000439127763 238230800 /nfs/dbraw/zinc/23/08/00/238230800.db2.gz KODZGHXIPRXPRL-RHSMWYFYSA-N 0 3 294.402 3.365 20 30 CGEDHN CCN1CCCC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000301853174 201234687 /nfs/dbraw/zinc/23/46/87/201234687.db2.gz BERCNLXGNVLDDG-INIZCTEOSA-N 0 3 298.434 3.118 20 30 CGEDHN CC(=O)c1ccc(C#N)c(NCCCN2CCCC[C@H]2C)c1 ZINC000302086549 201336952 /nfs/dbraw/zinc/33/69/52/201336952.db2.gz FEQPRTXHQLTASN-CQSZACIVSA-N 0 3 299.418 3.437 20 30 CGEDHN CCCCN1CCC(Nc2cc(C#N)ccc2C(C)=O)CC1 ZINC000302101453 201342576 /nfs/dbraw/zinc/34/25/76/201342576.db2.gz LLAXDYKQIVBSOC-UHFFFAOYSA-N 0 3 299.418 3.437 20 30 CGEDHN CCCN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCCO1 ZINC000120357868 370761712 /nfs/dbraw/zinc/76/17/12/370761712.db2.gz OCUROKNDWDWPKV-INIZCTEOSA-N 0 3 290.382 3.478 20 30 CGEDHN C=CCOc1cccc(CN(CC)CCOCC)c1 ZINC000120462453 370770063 /nfs/dbraw/zinc/77/00/63/370770063.db2.gz NLZHVJIPLDSFBX-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN Cc1nccn1CCCCN(CCC#N)CC(C)(C)C ZINC000120553797 370779493 /nfs/dbraw/zinc/77/94/93/370779493.db2.gz WDBMUCAKSIBGQG-UHFFFAOYSA-N 0 3 276.428 3.234 20 30 CGEDHN C[C@@]12CN(Cc3cccc(C#N)c3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451372894 240288049 /nfs/dbraw/zinc/28/80/49/240288049.db2.gz RFPQEQFIQQCZSB-JHMUCCBASA-N 0 3 282.362 3.341 20 30 CGEDHN CC(C)[C@H](CO)[C@@H](NCc1cccc(F)c1C#N)C(C)C ZINC000451600704 240334567 /nfs/dbraw/zinc/33/45/67/240334567.db2.gz SLXGEQKFIITPRY-RDJZCZTQSA-N 0 3 292.398 3.076 20 30 CGEDHN C=CCN(C)Cc1ccc(OC)c(Br)c1 ZINC000121298375 370849712 /nfs/dbraw/zinc/84/97/12/370849712.db2.gz NOMYCMNIWAOAQQ-UHFFFAOYSA-N 0 3 270.170 3.076 20 30 CGEDHN C[C@H]1C[C@H](Nc2c(Cl)cccc2C#N)CCN1C ZINC000462885399 242371877 /nfs/dbraw/zinc/37/18/77/242371877.db2.gz UQRKAEZOZIDFEH-CMPLNLGQSA-N 0 3 263.772 3.106 20 30 CGEDHN C=CCN(C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000121520013 370868868 /nfs/dbraw/zinc/86/88/68/370868868.db2.gz CDAIRWUZUUESKA-UHFFFAOYSA-N 0 3 255.365 3.107 20 30 CGEDHN N#Cc1ccc(OCCNCc2coc3ccccc23)cc1 ZINC000121576404 370875123 /nfs/dbraw/zinc/87/51/23/370875123.db2.gz AURDLRSGAFUDRM-UHFFFAOYSA-N 0 3 292.338 3.473 20 30 CGEDHN C=CCN(CC=C)C[C@@H](O)COc1cccc2ccccc21 ZINC000005382754 368561719 /nfs/dbraw/zinc/56/17/19/368561719.db2.gz XAQVEJZCYGAFCF-QGZVFWFLSA-N 0 3 297.398 3.254 20 30 CGEDHN C=CCC[C@@H](O)CN(CC=C)CCc1ccccc1 ZINC000124451159 370924603 /nfs/dbraw/zinc/92/46/03/370924603.db2.gz BJJHEAPVEBLXGV-QGZVFWFLSA-N 0 3 259.393 3.044 20 30 CGEDHN CN(CCC(=O)Nc1ccccc1C#N)Cc1ccsc1 ZINC000035126486 368999745 /nfs/dbraw/zinc/99/97/45/368999745.db2.gz DRSLCYJQZWMGQT-UHFFFAOYSA-N 0 3 299.399 3.080 20 30 CGEDHN C=CCN(CCCn1ccnc1C)Cc1cccs1 ZINC000127282013 370951535 /nfs/dbraw/zinc/95/15/35/370951535.db2.gz XTKDPAKNLDIMKD-UHFFFAOYSA-N 0 3 275.421 3.331 20 30 CGEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000055386543 369516389 /nfs/dbraw/zinc/51/63/89/369516389.db2.gz UIGIHLFPKPHJDB-XJKSGUPXSA-N 0 3 285.391 3.007 20 30 CGEDHN N#Cc1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000058473749 369570407 /nfs/dbraw/zinc/57/04/07/369570407.db2.gz XHAMRORFCMTOSJ-UHFFFAOYSA-N 0 3 261.328 3.329 20 30 CGEDHN CCN1CCC[C@H]1CNc1cc(Cl)ccc1C#N ZINC000062785227 369630246 /nfs/dbraw/zinc/63/02/46/369630246.db2.gz WWCFEWZWGXACNA-ZDUSSCGKSA-N 0 3 263.772 3.108 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000067963278 369737189 /nfs/dbraw/zinc/73/71/89/369737189.db2.gz LIGSFGDIVVHCLX-MRXNPFEDSA-N 0 3 287.407 3.239 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000069071284 369753988 /nfs/dbraw/zinc/75/39/88/369753988.db2.gz FEROGIIQTAZSKH-QGZVFWFLSA-N 0 3 272.392 3.338 20 30 CGEDHN C(#Cc1ccccc1)CN1CCCc2ccccc2C1 ZINC000067736645 369727379 /nfs/dbraw/zinc/72/73/79/369727379.db2.gz CKGZANPFYDWYGO-UHFFFAOYSA-N 0 3 261.368 3.487 20 30 CGEDHN CCCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000070926189 369807542 /nfs/dbraw/zinc/80/75/42/369807542.db2.gz GVOARUHWQYJAJA-OAHLLOKOSA-N 0 3 287.407 3.054 20 30 CGEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000076734027 369940984 /nfs/dbraw/zinc/94/09/84/369940984.db2.gz JLRCVYLUWOLYEE-AWEZNQCLSA-N 0 3 290.407 3.229 20 30 CGEDHN CCc1cccnc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000507456777 244834217 /nfs/dbraw/zinc/83/42/17/244834217.db2.gz AAIYNOVFKFESRG-CQSZACIVSA-N 0 3 295.386 3.245 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000090884021 370070526 /nfs/dbraw/zinc/07/05/26/370070526.db2.gz ZADPSYOQIFTWBV-CQSZACIVSA-N 0 3 293.407 3.256 20 30 CGEDHN C=CCOc1ccccc1CN(CC)CCOCC ZINC000092537757 370098310 /nfs/dbraw/zinc/09/83/10/370098310.db2.gz UWKSPZSVGXTVOV-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN CN(Cc1ccc(C#N)o1)[C@H]1CCc2ccccc2C1 ZINC000093438686 370128753 /nfs/dbraw/zinc/12/87/53/370128753.db2.gz ZFCWKCQBSDKVLC-HNNXBMFYSA-N 0 3 266.344 3.141 20 30 CGEDHN C[C@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(C#N)cc1F ZINC000512292978 245033341 /nfs/dbraw/zinc/03/33/41/245033341.db2.gz CPJAMSXBRRPJRQ-WFASDCNBSA-N 0 3 296.345 3.352 20 30 CGEDHN CCN(Cc1cc(C#N)ccc1OC)C1CCCC1 ZINC000130402579 371030659 /nfs/dbraw/zinc/03/06/59/371030659.db2.gz AOARQYYXEREFTQ-UHFFFAOYSA-N 0 3 258.365 3.331 20 30 CGEDHN CCC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000130418105 371031197 /nfs/dbraw/zinc/03/11/97/371031197.db2.gz FWAUTZGZYCVEOS-UHFFFAOYSA-N 0 3 258.365 3.189 20 30 CGEDHN CC(C)(CCC#N)CNCc1nc(C2CC2)cs1 ZINC000131147081 371086112 /nfs/dbraw/zinc/08/61/12/371086112.db2.gz QUVOJBQDEMYMQA-UHFFFAOYSA-N 0 3 263.410 3.440 20 30 CGEDHN C=CCCN(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000132604497 371187437 /nfs/dbraw/zinc/18/74/37/371187437.db2.gz FERQRYWZOOMGKY-CQSZACIVSA-N 0 3 274.408 3.064 20 30 CGEDHN C=CCCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000132619276 371188114 /nfs/dbraw/zinc/18/81/14/371188114.db2.gz JNTSWZBQJOWQAJ-KRWDZBQOSA-N 0 3 275.392 3.252 20 30 CGEDHN C=CCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000132780063 371201587 /nfs/dbraw/zinc/20/15/87/371201587.db2.gz KFPKXPAYOIQPQE-CQSZACIVSA-N 0 3 259.349 3.171 20 30 CGEDHN N#CC1(c2ccccc2)CC(NC[C@@H]2CCCS2)C1 ZINC000149567840 371529435 /nfs/dbraw/zinc/52/94/35/371529435.db2.gz SIIAYXHOIFAPLC-PCKAHOCUSA-N 0 3 272.417 3.096 20 30 CGEDHN C[C@@](CO)(NCC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000151341804 371594153 /nfs/dbraw/zinc/59/41/53/371594153.db2.gz MRHZDBOFSCASKP-SFHVURJKSA-N 0 3 289.394 3.098 20 30 CGEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288112910 371731330 /nfs/dbraw/zinc/73/13/30/371731330.db2.gz HONGQCJDMAGGAM-WBVHZDCISA-N 0 3 286.419 3.122 20 30 CGEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccncc1Cl ZINC000421859127 371681077 /nfs/dbraw/zinc/68/10/77/371681077.db2.gz SGOIDJZYLIZGED-LBPRGKRZSA-N 0 3 285.778 3.500 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000289533946 371758551 /nfs/dbraw/zinc/75/85/51/371758551.db2.gz FIDCZCZHBAIARH-AWEZNQCLSA-N 0 3 267.294 3.442 20 30 CGEDHN C=C[C@@H](CO)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000289666283 371786836 /nfs/dbraw/zinc/78/68/36/371786836.db2.gz GYYNKGLXBGHLPX-UWVGGRQHSA-N 0 3 274.191 3.061 20 30 CGEDHN C#C[C@@H](NCc1c(C2CC2)nc2sccn12)C(C)C ZINC000289670180 371788592 /nfs/dbraw/zinc/78/85/92/371788592.db2.gz ZACONIUBTHWMBR-GFCCVEGCSA-N 0 3 273.405 3.021 20 30 CGEDHN COc1ccc(CN(C)CCOc2ccccc2)cc1C#N ZINC000154740663 371874832 /nfs/dbraw/zinc/87/48/32/371874832.db2.gz LNQCRRRGHIBKCM-UHFFFAOYSA-N 0 3 296.370 3.078 20 30 CGEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(Cl)c2)n1 ZINC000155404667 371926668 /nfs/dbraw/zinc/92/66/68/371926668.db2.gz BLZRIOSLNXNVCD-LLVKDONJSA-N 0 3 291.763 3.351 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CCCCC1 ZINC000425065234 372109081 /nfs/dbraw/zinc/10/90/81/372109081.db2.gz KNLTXICWQOKKPM-JKSUJKDBSA-N 0 3 290.451 3.066 20 30 CGEDHN O[C@@H]1CCCC[C@@H]1[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000291080062 372112369 /nfs/dbraw/zinc/11/23/69/372112369.db2.gz GLYNGVYMVNQCMD-HSALFYBXSA-N 0 3 297.442 3.444 20 30 CGEDHN CCN(CCc1nccs1)Cc1ccc(C#N)cc1 ZINC000159175503 372112645 /nfs/dbraw/zinc/11/26/45/372112645.db2.gz VFBFPVRIDOZATD-UHFFFAOYSA-N 0 3 271.389 3.079 20 30 CGEDHN C=C(C)CN(CC)Cc1ccccc1OCCOC ZINC000159006939 372099299 /nfs/dbraw/zinc/09/92/99/372099299.db2.gz XMUQXXZCJRQQNA-UHFFFAOYSA-N 0 3 263.381 3.110 20 30 CGEDHN C=CCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425516654 372129651 /nfs/dbraw/zinc/12/96/51/372129651.db2.gz SVHJDYIFBLXCSI-UHFFFAOYSA-N 0 3 262.422 3.387 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000428561573 372233994 /nfs/dbraw/zinc/23/39/94/372233994.db2.gz VTYUQFBDXKHTEG-MRXNPFEDSA-N 0 3 295.382 3.214 20 30 CGEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160558254 372257763 /nfs/dbraw/zinc/25/77/63/372257763.db2.gz ZTPAELSCTXSEBG-GJZGRUSLSA-N 0 3 293.455 3.086 20 30 CGEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000429580204 372375633 /nfs/dbraw/zinc/37/56/33/372375633.db2.gz TVTMAGWZNNIHPQ-NVXWUHKLSA-N 0 3 299.418 3.054 20 30 CGEDHN N#CCC1(CNCc2cccc(OC(F)F)c2)CC1 ZINC000430036507 372382003 /nfs/dbraw/zinc/38/20/03/372382003.db2.gz FIUGFRCVICUWAC-UHFFFAOYSA-N 0 3 266.291 3.071 20 30 CGEDHN C=CCCCN(CCc1ccccn1)Cc1cccnc1 ZINC000430342343 372388616 /nfs/dbraw/zinc/38/86/16/372388616.db2.gz JTZRSSSQKRNWIU-UHFFFAOYSA-N 0 3 281.403 3.488 20 30 CGEDHN CC(C)C[C@@H](NCC1(CC#N)CC1)c1ccccn1 ZINC000430724851 372392562 /nfs/dbraw/zinc/39/25/62/372392562.db2.gz PAXVBTXXBAPXBE-OAHLLOKOSA-N 0 3 257.381 3.452 20 30 CGEDHN COc1ccc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1C#N ZINC000166722640 372580562 /nfs/dbraw/zinc/58/05/62/372580562.db2.gz PPQCRXBZWANKEN-MCIONIFRSA-N 0 3 272.392 3.433 20 30 CGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccn1 ZINC000433124788 372582296 /nfs/dbraw/zinc/58/22/96/372582296.db2.gz FYGCUSLUGSDUCB-GDBMZVCRSA-N 0 3 293.370 3.031 20 30 CGEDHN CCCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433122531 372582541 /nfs/dbraw/zinc/58/25/41/372582541.db2.gz QZUZNRCOOGMEKR-OAHLLOKOSA-N 0 3 258.365 3.065 20 30 CGEDHN CC[C@H](C)[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433354502 372598047 /nfs/dbraw/zinc/59/80/47/372598047.db2.gz NJMXIXADRDNAPT-SQWLQELKSA-N 0 3 272.392 3.310 20 30 CGEDHN C#CCOc1ccccc1CNCCCc1ncccc1C ZINC000294910225 372677706 /nfs/dbraw/zinc/67/77/06/372677706.db2.gz DXUGYZWKFHYBHQ-UHFFFAOYSA-N 0 3 294.398 3.124 20 30 CGEDHN C#CCN(C)CCCN[C@H](C)c1csc(Cl)c1 ZINC000295004306 372686170 /nfs/dbraw/zinc/68/61/70/372686170.db2.gz MFXIRGWCWXLXOY-LLVKDONJSA-N 0 3 270.829 3.007 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCCCCC1 ZINC000053906732 541879922 /nfs/dbraw/zinc/87/99/22/541879922.db2.gz HCRUCEKLCAYOBS-UHFFFAOYSA-N 0 3 266.429 3.066 20 30 CGEDHN C=CCc1cc(CNC[C@@H](CCC)OC)cc(OC)c1O ZINC000295112477 372694736 /nfs/dbraw/zinc/69/47/36/372694736.db2.gz LUVUNYXBNVFQDX-OAHLLOKOSA-N 0 3 293.407 3.034 20 30 CGEDHN C=CCOc1ccc(CNC[C@@H](CCC)OC)cc1OC ZINC000295175894 372695949 /nfs/dbraw/zinc/69/59/49/372695949.db2.gz VBFAAFYFFBQPMX-OAHLLOKOSA-N 0 3 293.407 3.165 20 30 CGEDHN C=CCN(CC[C@@H]1CCOC1)Cc1cccs1 ZINC000437592117 372853375 /nfs/dbraw/zinc/85/33/75/372853375.db2.gz QPDKHLNAIIIHQV-CYBMUJFWSA-N 0 3 251.395 3.163 20 30 CGEDHN CCCN(CC#Cc1ccccc1Cl)CC(C)(C)O ZINC000441151553 372998673 /nfs/dbraw/zinc/99/86/73/372998673.db2.gz GEMSMBJFTPOHBK-UHFFFAOYSA-N 0 3 279.811 3.174 20 30 CGEDHN C=C(C)CCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296313307 373087577 /nfs/dbraw/zinc/08/75/77/373087577.db2.gz OJHQRAQTYCZZIY-CQSZACIVSA-N 0 3 253.773 3.271 20 30 CGEDHN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(C)C#N ZINC000444626034 373213943 /nfs/dbraw/zinc/21/39/43/373213943.db2.gz LNTMKSXAOQDGGH-PWSUYJOCSA-N 0 3 284.281 3.264 20 30 CGEDHN CN1CCN(Cc2ccc(C#N)cc2F)c2ccccc2C1 ZINC000353588074 220173011 /nfs/dbraw/zinc/17/30/11/220173011.db2.gz LDXHBHUOESOHQJ-UHFFFAOYSA-N 0 3 295.361 3.149 20 30 CGEDHN CCC[C@@]1(CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000444766764 373263975 /nfs/dbraw/zinc/26/39/75/373263975.db2.gz PDPYFXPTGKLCNA-KRWDZBQOSA-N 0 3 291.822 3.319 20 30 CGEDHN C[C@H](NC[C@](C)(O)c1ccccc1)c1cccc(C#N)c1 ZINC000174358360 373299912 /nfs/dbraw/zinc/29/99/12/373299912.db2.gz ALLCUPJHGHCLBB-KSSFIOAISA-N 0 3 280.371 3.117 20 30 CGEDHN C[C@@H](CNCc1ccc(C#N)o1)Cc1cccs1 ZINC000174534132 373333500 /nfs/dbraw/zinc/33/35/00/373333500.db2.gz XYQXSUDWIFYCKX-LLVKDONJSA-N 0 3 260.362 3.181 20 30 CGEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OCCC(C)C)c1 ZINC000446649308 373337884 /nfs/dbraw/zinc/33/78/84/373337884.db2.gz QAZZKYSWASTXSU-AWEZNQCLSA-N 0 3 288.391 3.196 20 30 CGEDHN Cc1ccccc1O[C@@H](C)CNCc1ccc(C#N)o1 ZINC000174589980 373340975 /nfs/dbraw/zinc/34/09/75/373340975.db2.gz YOZMATGLEMGBLC-ZDUSSCGKSA-N 0 3 270.332 3.017 20 30 CGEDHN COCC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000446764137 373359550 /nfs/dbraw/zinc/35/95/50/373359550.db2.gz DNASUOCLLAXNDG-IHRRRGAJSA-N 0 3 262.353 3.029 20 30 CGEDHN Cc1cscc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000175084577 373406378 /nfs/dbraw/zinc/40/63/78/373406378.db2.gz RHVPJNRQHHLVLT-SNVBAGLBSA-N 0 3 281.340 3.423 20 30 CGEDHN Cc1cscc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000175084577 373406385 /nfs/dbraw/zinc/40/63/85/373406385.db2.gz RHVPJNRQHHLVLT-SNVBAGLBSA-N 0 3 281.340 3.423 20 30 CGEDHN C=CCCCN(C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449026386 373656178 /nfs/dbraw/zinc/65/61/78/373656178.db2.gz FOBZILQNXAVMAS-AWEZNQCLSA-N 0 3 295.448 3.092 20 30 CGEDHN CCc1noc(CC)c1CNC1CCC(C)(C#N)CC1 ZINC000449197491 373671005 /nfs/dbraw/zinc/67/10/05/373671005.db2.gz ZJBORKIZIBDFBN-UHFFFAOYSA-N 0 3 275.396 3.361 20 30 CGEDHN N#Cc1cccc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000301296876 373734199 /nfs/dbraw/zinc/73/41/99/373734199.db2.gz YCWGTFYBSVIAMU-UHFFFAOYSA-N 0 3 292.386 3.030 20 30 CGEDHN CO[C@@](C)(CNCc1ccc(C#N)s1)c1ccccc1 ZINC000449484183 373774715 /nfs/dbraw/zinc/77/47/15/373774715.db2.gz LMLDANXUXXPYNA-INIZCTEOSA-N 0 3 286.400 3.271 20 30 CGEDHN C=C(C)CCNCc1c(C)nn(CC(C)C)c1OCC ZINC000449478593 373766855 /nfs/dbraw/zinc/76/68/55/373766855.db2.gz RXEQDOIICGXCRK-UHFFFAOYSA-N 0 3 279.428 3.302 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C)c(Br)c1 ZINC000449521923 373819726 /nfs/dbraw/zinc/81/97/26/373819726.db2.gz TXNOGYHPYXFTHC-KGLIPLIRSA-N 0 3 296.208 3.191 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1NC/C=C\c1ccc(Cl)cc1 ZINC000449520250 373819860 /nfs/dbraw/zinc/81/98/60/373819860.db2.gz OZBKMMZPLPSWTR-OVNWPICBSA-N 0 3 263.768 3.286 20 30 CGEDHN Cc1cc(CN2CCSC[C@@H]2C2CC2)ccc1C#N ZINC000449527417 373826375 /nfs/dbraw/zinc/82/63/75/373826375.db2.gz IDBGUKUVHGYRKV-MRXNPFEDSA-N 0 3 272.417 3.194 20 30 CGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(Br)c1 ZINC000449548050 373830599 /nfs/dbraw/zinc/83/05/99/373830599.db2.gz LBBONOIPQXJXGE-KGLIPLIRSA-N 0 3 296.208 3.272 20 30 CGEDHN C=CCC1(CNCc2ccoc2C(=O)OC)CCCC1 ZINC000449606226 373833622 /nfs/dbraw/zinc/83/36/22/373833622.db2.gz PWYVSJNIXDKXSN-UHFFFAOYSA-N 0 3 277.364 3.292 20 30 CGEDHN C=CCOc1ccccc1CN1CC[C@@H](OCC)[C@H](C)C1 ZINC000449491785 373780778 /nfs/dbraw/zinc/78/07/78/373780778.db2.gz HYDSXQLHGAMMLJ-NVXWUHKLSA-N 0 3 289.419 3.498 20 30 CGEDHN C=CCOc1ccc(CN2CC[C@H](OC)[C@@H](C)C2)cc1 ZINC000449491901 373782143 /nfs/dbraw/zinc/78/21/43/373782143.db2.gz BAFLLGXJKGUZGW-YOEHRIQHSA-N 0 3 275.392 3.108 20 30 CGEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000449497975 373794046 /nfs/dbraw/zinc/79/40/46/373794046.db2.gz KXHAKMHOVHYRKQ-RHSMWYFYSA-N 0 3 272.392 3.114 20 30 CGEDHN C[C@@H](NCCCC#N)c1cccc(OC(F)F)c1 ZINC000179596456 373892705 /nfs/dbraw/zinc/89/27/05/373892705.db2.gz KVOCTARKLMQBGS-SNVBAGLBSA-N 0 3 254.280 3.242 20 30 CGEDHN C=CCC[C@H](CCC)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449706796 373848109 /nfs/dbraw/zinc/84/81/09/373848109.db2.gz BUNXLVFDNHOOEU-ZDUSSCGKSA-N 0 3 285.395 3.091 20 30 CGEDHN C=C(CC)CNCc1cc(OC)ccc1OC(F)F ZINC000449733429 373861412 /nfs/dbraw/zinc/86/14/12/373861412.db2.gz OIUMHPIJAGPJRP-UHFFFAOYSA-N 0 3 271.307 3.352 20 30 CGEDHN C=CCSCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000180458985 374010182 /nfs/dbraw/zinc/01/01/82/374010182.db2.gz KMSZLJLGVOXAPM-LLVKDONJSA-N 0 3 266.366 3.165 20 30 CGEDHN C=CCSCCN[C@H]1CCCc2nc(C)sc21 ZINC000180455865 374010463 /nfs/dbraw/zinc/01/04/63/374010463.db2.gz KMGCLBKRFMPYAX-NSHDSACASA-N 0 3 268.451 3.338 20 30 CGEDHN C#CCSCCN[C@H]1CCCc2nc(CC)sc21 ZINC000181101377 374081140 /nfs/dbraw/zinc/08/11/40/374081140.db2.gz MJBIIWNXLUJUSD-NSHDSACASA-N 0 3 280.462 3.039 20 30 CGEDHN COc1cccc2c1CCN(CC(C)(C)CCC#N)C2 ZINC000180785986 374046787 /nfs/dbraw/zinc/04/67/87/374046787.db2.gz NEXOTTOTHBIVLT-UHFFFAOYSA-N 0 3 272.392 3.383 20 30 CGEDHN C[C@@H]1[C@H](Nc2cccc(Cl)c2C#N)CCCN1C ZINC000450434206 374127245 /nfs/dbraw/zinc/12/72/45/374127245.db2.gz GCEYGPGGFPNIPW-ZWNOBZJWSA-N 0 3 263.772 3.106 20 30 CGEDHN C=C(C)CN[C@H]1CCOc2c(Br)cccc21 ZINC000309526666 374186337 /nfs/dbraw/zinc/18/63/37/374186337.db2.gz BFCQQVDLNXUNOV-LBPRGKRZSA-N 0 3 282.181 3.438 20 30 CGEDHN C=CCCC[C@H](C)N[C@H](C(=O)N(C)C)c1ccccc1 ZINC000182344161 374260932 /nfs/dbraw/zinc/26/09/32/374260932.db2.gz IPAJIEYASXNMJP-HOCLYGCPSA-N 0 3 274.408 3.150 20 30 CGEDHN C[C@H](NC[C@@H]1COc2ccccc2O1)c1ccc(C#N)cc1 ZINC000314406304 374317809 /nfs/dbraw/zinc/31/78/09/374317809.db2.gz VMFGJFKXLSUWPB-XJKSGUPXSA-N 0 3 294.354 3.049 20 30 CGEDHN Cc1c([C@@H](C)NC2CC(C#N)(c3ccccc3)C2)cnn1C ZINC000315403693 374328299 /nfs/dbraw/zinc/32/82/99/374328299.db2.gz OHWRQQGNPJAMOL-IMUUDWKMSA-N 0 3 294.402 3.003 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@](C)(CC)OC ZINC000322637035 374354905 /nfs/dbraw/zinc/35/49/05/374354905.db2.gz SQCPPRLBAYSIAH-MRXNPFEDSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@@H](CC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457194814 374643115 /nfs/dbraw/zinc/64/31/15/374643115.db2.gz PPCJSSXJIJLWHX-XJKSGUPXSA-N 0 3 297.402 3.181 20 30 CGEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000185573920 374689982 /nfs/dbraw/zinc/68/99/82/374689982.db2.gz IOWSEWGVGARMGL-UMVBOHGHSA-N 0 3 287.363 3.055 20 30 CGEDHN C=CCOc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185830893 374747140 /nfs/dbraw/zinc/74/71/40/374747140.db2.gz OGHOEJALXKFJGJ-HOCLYGCPSA-N 0 3 270.376 3.423 20 30 CGEDHN C=CC[C@H](CO)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186696223 374900868 /nfs/dbraw/zinc/90/08/68/374900868.db2.gz SYIYDQBRCIQEEW-ZYHUDNBSSA-N 0 3 289.297 3.173 20 30 CGEDHN C=C(C)[C@@H](N[C@@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000186450745 374854616 /nfs/dbraw/zinc/85/46/16/374854616.db2.gz AWAINWCZLPRYSL-IUODEOHRSA-N 0 3 267.319 3.351 20 30 CGEDHN Cc1ccncc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334666046 374953339 /nfs/dbraw/zinc/95/33/39/374953339.db2.gz FSDNGJVQEWLREQ-SFHVURJKSA-N 0 3 277.371 3.429 20 30 CGEDHN CC(C#N)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000470218521 374995461 /nfs/dbraw/zinc/99/54/61/374995461.db2.gz FRJIUFDIQOTRFL-QWRGUYRKSA-N 0 3 298.308 3.475 20 30 CGEDHN CC(C#N)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000470218520 374996180 /nfs/dbraw/zinc/99/61/80/374996180.db2.gz FRJIUFDIQOTRFL-MNOVXSKESA-N 0 3 298.308 3.475 20 30 CGEDHN C=CCC[C@@H](O)CN(CC(=C)C)Cc1ccccc1 ZINC000470924905 375000898 /nfs/dbraw/zinc/00/08/98/375000898.db2.gz AZYPFIAWCPXYHB-QGZVFWFLSA-N 0 3 259.393 3.392 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCc1nccs1 ZINC000187711034 375078586 /nfs/dbraw/zinc/07/85/86/375078586.db2.gz PKUSWRKXJSJXGE-LBPRGKRZSA-N 0 3 271.389 3.250 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC(F)(c3cccnc3)CC2)C1 ZINC000335065068 375101619 /nfs/dbraw/zinc/10/16/19/375101619.db2.gz MOGKFRLJQVJJTJ-HIFRSBDPSA-N 0 3 273.355 3.034 20 30 CGEDHN Cc1cc(CN2CC3(CCOCC3)[C@H]2C2CC2)ccc1C#N ZINC000335110061 375139806 /nfs/dbraw/zinc/13/98/06/375139806.db2.gz YRLDCWDISAWQCE-GOSISDBHSA-N 0 3 296.414 3.258 20 30 CGEDHN CN(CC#Cc1ccccc1Cl)C[C@H]1CCCC[C@H]1O ZINC000481348054 375163841 /nfs/dbraw/zinc/16/38/41/375163841.db2.gz MXVDJMZCOBUIIX-NVXWUHKLSA-N 0 3 291.822 3.174 20 30 CGEDHN C=CCN(CCOC)Cc1ccc(Br)cc1C ZINC000483409385 375179528 /nfs/dbraw/zinc/17/95/28/375179528.db2.gz QJLKMXRJUGUIAT-UHFFFAOYSA-N 0 3 298.224 3.392 20 30 CGEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000188570005 375232350 /nfs/dbraw/zinc/23/23/50/375232350.db2.gz WZUDRLLQXVITLL-CRAIPNDOSA-N 0 3 288.435 3.225 20 30 CGEDHN COCCN(CC#Cc1ccc(F)cc1)[C@H]1CCC[C@H]1C ZINC000487946702 375287691 /nfs/dbraw/zinc/28/76/91/375287691.db2.gz BXPRTCQUXZGWBY-QAPCUYQASA-N 0 3 289.394 3.314 20 30 CGEDHN Cc1cc(CN2CCC([C@@H]3CCCO3)CC2)ccc1C#N ZINC000335681442 375341964 /nfs/dbraw/zinc/34/19/64/375341964.db2.gz BLSBFEFXFHYUPR-SFHVURJKSA-N 0 3 284.403 3.258 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2nccc3ccccc32)C1 ZINC000335801467 375441856 /nfs/dbraw/zinc/44/18/56/375441856.db2.gz GRDIDDVBRAOKIA-GXTWGEPZSA-N 0 3 251.333 3.017 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NCc2cnc3ccccc3c2)C1 ZINC000335846030 375478530 /nfs/dbraw/zinc/47/85/30/375478530.db2.gz CBXQNVXXODMIJE-CJNGLKHVSA-N 0 3 265.360 3.407 20 30 CGEDHN C=CCC[C@H](O)CN(C)C/C(C)=C\c1ccccc1 ZINC000494232990 375486025 /nfs/dbraw/zinc/48/60/25/375486025.db2.gz FHDXKOYZCOFSKZ-KSVUCXBSSA-N 0 3 259.393 3.349 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1Cl ZINC000494491030 375488426 /nfs/dbraw/zinc/48/84/26/375488426.db2.gz ZKQAADFYADVTKX-HUUCEWRRSA-N 0 3 295.810 3.154 20 30 CGEDHN N#CC(C(=O)c1cccc(F)c1)c1cnc2ccccc2n1 ZINC000190986184 375559419 /nfs/dbraw/zinc/55/94/19/375559419.db2.gz PSUSSXRZGWVGBB-ZDUSSCGKSA-N 0 3 291.285 3.259 20 30 CGEDHN CCC1(CC)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000504218310 375653383 /nfs/dbraw/zinc/65/33/83/375653383.db2.gz HVMLZXFRDOVZCX-MRXNPFEDSA-N 0 3 284.403 3.408 20 30 CGEDHN Cc1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000336368300 375783239 /nfs/dbraw/zinc/78/32/39/375783239.db2.gz APTGASPBCRHLPG-MRXNPFEDSA-N 0 3 283.400 3.490 20 30 CGEDHN CC(C#N)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000336320998 375776951 /nfs/dbraw/zinc/77/69/51/375776951.db2.gz JCZRVTDWISZVLD-WRWORJQWSA-N 0 3 283.158 3.257 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193052574 375820921 /nfs/dbraw/zinc/82/09/21/375820921.db2.gz QQYUYZWNFZZUFL-MRXNPFEDSA-N 0 3 290.363 3.155 20 30 CGEDHN C=CCCCCN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000515126988 375810245 /nfs/dbraw/zinc/81/02/45/375810245.db2.gz HXJNAGAZTXFECI-MAUKXSAKSA-N 0 3 265.422 3.052 20 30 CGEDHN CC[C@H](CC#N)NCCCOc1c(C)cccc1C ZINC000516489074 375821310 /nfs/dbraw/zinc/82/13/10/375821310.db2.gz VPIFETKIRMCZRH-OAHLLOKOSA-N 0 3 260.381 3.354 20 30 CGEDHN CCOC(=O)C(C)(C)C1CCN(CCC(C)(C)C#N)CC1 ZINC000510932707 375788575 /nfs/dbraw/zinc/78/85/75/375788575.db2.gz BPAVXFAXUYEYKF-UHFFFAOYSA-N 0 3 294.439 3.228 20 30 CGEDHN C[C@@H]1CSC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000336586221 375853244 /nfs/dbraw/zinc/85/32/44/375853244.db2.gz MHNLHPVVXMKMLJ-RNCFNFMXSA-N 0 3 266.797 3.053 20 30 CGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1=CCCCC1)C(C)C ZINC000527107011 375892471 /nfs/dbraw/zinc/89/24/71/375892471.db2.gz NOUXXPOPMUOGMM-QGZVFWFLSA-N 0 3 290.451 3.302 20 30 CGEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000532586648 375952782 /nfs/dbraw/zinc/95/27/82/375952782.db2.gz XNGZIJSOCCBIID-MRXNPFEDSA-N 0 3 280.456 3.312 20 30 CGEDHN C#CCCCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000194112663 375961222 /nfs/dbraw/zinc/96/12/22/375961222.db2.gz AZDSIYIZLKNZDD-HNNXBMFYSA-N 0 3 265.784 3.421 20 30 CGEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529719766 375934137 /nfs/dbraw/zinc/93/41/37/375934137.db2.gz QCYLDXPFRRSEEU-RDJZCZTQSA-N 0 3 278.440 3.112 20 30 CGEDHN C=CCN1CC[C@@H](N(C)[C@H](C)c2cc(C)ccc2C)C1=O ZINC000337136327 376092882 /nfs/dbraw/zinc/09/28/82/376092882.db2.gz NDKWOVKCIQAREZ-NVXWUHKLSA-N 0 3 286.419 3.083 20 30 CGEDHN C=CCN1CC[C@H](N(CC)[C@@H](CC)c2ccccc2)C1=O ZINC000337137571 376094028 /nfs/dbraw/zinc/09/40/28/376094028.db2.gz OFZASQHMXCHUSY-IRXDYDNUSA-N 0 3 286.419 3.247 20 30 CGEDHN C=CCN(CCOC)[C@H](CC)c1ccc(F)cc1 ZINC000195002485 376068293 /nfs/dbraw/zinc/06/82/93/376068293.db2.gz IPPVNEVFBYVYGG-OAHLLOKOSA-N 0 3 251.345 3.411 20 30 CGEDHN CC(C)Oc1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000537212650 376154612 /nfs/dbraw/zinc/15/46/12/376154612.db2.gz YWIRNLSERAKOOK-UHFFFAOYSA-N 0 3 284.359 3.271 20 30 CGEDHN CC(C)OC[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000337253195 376168364 /nfs/dbraw/zinc/16/83/64/376168364.db2.gz LMSVRKYAYGXUOL-HOCLYGCPSA-N 0 3 260.381 3.435 20 30 CGEDHN C[C@@H]1c2ccsc2CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000218348619 376187551 /nfs/dbraw/zinc/18/75/51/376187551.db2.gz BDNPMWQLEDASSR-MLGOLLRUSA-N 0 3 298.411 3.272 20 30 CGEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000538285682 376229834 /nfs/dbraw/zinc/22/98/34/376229834.db2.gz ILHONMRKOFYVIL-JYJNAYRXSA-N 0 3 295.471 3.151 20 30 CGEDHN C=CCN(CCCO[C@H]1CCCCO1)CCc1ccco1 ZINC000338289573 376316282 /nfs/dbraw/zinc/31/62/82/376316282.db2.gz ITDJEWGWKAGJFJ-KRWDZBQOSA-N 0 3 293.407 3.243 20 30 CGEDHN CCN1C[C@@H](C)N(c2ccc3cc(C#N)ccc3n2)C[C@H]1C ZINC000538978753 376284943 /nfs/dbraw/zinc/28/49/43/376284943.db2.gz JDKGBFGFWQWKAJ-ZIAGYGMSSA-N 0 3 294.402 3.025 20 30 CGEDHN COCC[C@@H](NCc1ccc(F)cc1C#N)C(C)(C)C ZINC000338362156 376350840 /nfs/dbraw/zinc/35/08/40/376350840.db2.gz UJIAKMJBRRGJLP-OAHLLOKOSA-N 0 3 278.371 3.238 20 30 CGEDHN CS[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000227597628 376401846 /nfs/dbraw/zinc/40/18/46/376401846.db2.gz BYTVPKPQWYFSGB-ZIAGYGMSSA-N 0 3 278.396 3.461 20 30 CGEDHN C=CCN(CCc1ccnn1CC)Cc1cccs1 ZINC000338545616 376418611 /nfs/dbraw/zinc/41/86/11/376418611.db2.gz HCZPNGLNOITKQV-UHFFFAOYSA-N 0 3 275.421 3.195 20 30 CGEDHN C=C(CC)CN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000540203846 376365375 /nfs/dbraw/zinc/36/53/75/376365375.db2.gz AKCONFOPFIEKMV-QGZVFWFLSA-N 0 3 259.393 3.286 20 30 CGEDHN CC1(C)CCN(CCOc2ccccc2C#N)CCS1 ZINC000228088326 376426859 /nfs/dbraw/zinc/42/68/59/376426859.db2.gz LQBUAKCQGOZQDK-UHFFFAOYSA-N 0 3 290.432 3.155 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nccs3)C2)C1 ZINC000338947318 376594043 /nfs/dbraw/zinc/59/40/43/376594043.db2.gz DZFICXANRWSXNJ-AGIUHOORSA-N 0 3 261.394 3.015 20 30 CGEDHN N#CCCOCCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000338915222 376572308 /nfs/dbraw/zinc/57/23/08/376572308.db2.gz PBBBXVDFEYGHMP-OAHLLOKOSA-N 0 3 278.783 3.407 20 30 CGEDHN COc1cc(CN(C)CCc2cccs2)ccc1C#N ZINC000234922521 376625114 /nfs/dbraw/zinc/62/51/14/376625114.db2.gz QRCKWRAVJOWNLL-UHFFFAOYSA-N 0 3 286.400 3.303 20 30 CGEDHN C[C@@H]1C[C@H](Nc2cccc(C#N)n2)CN1Cc1ccccc1 ZINC000339217309 376737641 /nfs/dbraw/zinc/73/76/41/376737641.db2.gz LBMBXGQREKICFQ-PBHICJAKSA-N 0 3 292.386 3.028 20 30 CGEDHN C=C[C@@H](C)NCC1=Cc2cc(Br)ccc2OC1 ZINC000153668406 542113823 /nfs/dbraw/zinc/11/38/23/542113823.db2.gz QPQPRPPNIKXKGA-SNVBAGLBSA-N 0 3 294.192 3.389 20 30 CGEDHN C[C@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1cccc(C#N)c1 ZINC000340451641 377067763 /nfs/dbraw/zinc/06/77/63/377067763.db2.gz SZYYZJJCRSHJSI-RYUDHWBXSA-N 0 3 267.332 3.071 20 30 CGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)C[C@H](C)C1 ZINC000246841357 377102787 /nfs/dbraw/zinc/10/27/87/377102787.db2.gz VEKDRDMDUCWTGH-QLFBSQMISA-N 0 3 299.418 3.253 20 30 CGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000563217660 377423483 /nfs/dbraw/zinc/42/34/83/377423483.db2.gz RUPCXTQNFKWTJH-UHFFFAOYSA-N 0 3 273.336 3.231 20 30 CGEDHN C=CCCCNCc1cc2ccccc2nc1OC ZINC000568717713 377521971 /nfs/dbraw/zinc/52/19/71/377521971.db2.gz XSKOQUILKLRGLT-UHFFFAOYSA-N 0 3 256.349 3.299 20 30 CGEDHN CC[C@@]1(CO)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000249578910 377516336 /nfs/dbraw/zinc/51/63/36/377516336.db2.gz QGQYPCJSZJQJJF-RHSMWYFYSA-N 0 3 272.392 3.104 20 30 CGEDHN COC1CCC(N(C)Cc2cn3ccccc3c2C#N)CC1 ZINC000265178871 190163960 /nfs/dbraw/zinc/16/39/60/190163960.db2.gz DJMBFIYIXDYXJD-UHFFFAOYSA-N 0 3 297.402 3.200 20 30 CGEDHN C=CCN(Cc1cccs1)C[C@@H]1CCCC[C@@H]1O ZINC000572291401 377547538 /nfs/dbraw/zinc/54/75/38/377547538.db2.gz LWMWXGSUYAUHBG-ZFWWWQNUSA-N 0 3 265.422 3.287 20 30 CGEDHN N#Cc1cccc(NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000265591829 190192334 /nfs/dbraw/zinc/19/23/34/190192334.db2.gz YCTOSBFOSZXPSO-KRWDZBQOSA-N 0 3 292.386 3.202 20 30 CGEDHN C=CCOc1cccc(CN2CCC(OCC)CC2)c1 ZINC000179499657 542201591 /nfs/dbraw/zinc/20/15/91/542201591.db2.gz WIXVMZPUFSBAPP-UHFFFAOYSA-N 0 3 275.392 3.252 20 30 CGEDHN CCCOc1ccc([C@@H](C)NCCCC#N)cc1OC ZINC000341653869 377610920 /nfs/dbraw/zinc/61/09/20/377610920.db2.gz FKVONYYGEMCYGU-CYBMUJFWSA-N 0 3 276.380 3.438 20 30 CGEDHN C[C@H](CNc1cccc(F)c1C#N)N1CCC[C@H](C)C1 ZINC000252157781 377615240 /nfs/dbraw/zinc/61/52/40/377615240.db2.gz NPHIRKILUGDKNF-QWHCGFSZSA-N 0 3 275.371 3.230 20 30 CGEDHN CCCN(CCN1CCCC1)c1cccc(F)c1C#N ZINC000343271113 377943773 /nfs/dbraw/zinc/94/37/73/377943773.db2.gz ANWSRZQGMICLSW-UHFFFAOYSA-N 0 3 275.371 3.010 20 30 CGEDHN N#CCCCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264068066 377954960 /nfs/dbraw/zinc/95/49/60/377954960.db2.gz ADRYHPNEIXVGON-UHFFFAOYSA-N 0 3 283.375 3.095 20 30 CGEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccc(Cl)cn1 ZINC000343528099 378008212 /nfs/dbraw/zinc/00/82/12/378008212.db2.gz IDLQNYDQAUUXIS-GFCCVEGCSA-N 0 3 285.778 3.500 20 30 CGEDHN C=CCOc1cccc(CN[C@@H]2CCCc3cn[nH]c32)c1 ZINC000268874492 378138484 /nfs/dbraw/zinc/13/84/84/378138484.db2.gz WDJUPOMFGKERSE-MRXNPFEDSA-N 0 3 283.375 3.142 20 30 CGEDHN CCN1C[C@H](C)N(c2cc(C#N)c3ccccc3n2)C[C@H]1C ZINC000345155529 378206563 /nfs/dbraw/zinc/20/65/63/378206563.db2.gz XIKXQCXHYYTSOI-KGLIPLIRSA-N 0 3 294.402 3.025 20 30 CGEDHN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CC1 ZINC000579597871 378175041 /nfs/dbraw/zinc/17/50/41/378175041.db2.gz IMLDXQKRTHBYSW-UHFFFAOYSA-N 0 3 273.336 3.087 20 30 CGEDHN C[C@@H](N[C@H]1COc2cc(F)ccc2C1)c1ccc(C#N)cc1 ZINC000580964092 378272683 /nfs/dbraw/zinc/27/26/83/378272683.db2.gz XWUNZIAORKISMZ-SJKOYZFVSA-N 0 3 296.345 3.352 20 30 CGEDHN C[C@H](N[C@@H]1COc2cc(F)ccc2C1)c1ccc(C#N)cc1 ZINC000580964090 378273152 /nfs/dbraw/zinc/27/31/52/378273152.db2.gz XWUNZIAORKISMZ-SJCJKPOMSA-N 0 3 296.345 3.352 20 30 CGEDHN COCc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000269589040 378239698 /nfs/dbraw/zinc/23/96/98/378239698.db2.gz CPASOTFPPAFCDV-UHFFFAOYSA-N 0 3 292.382 3.484 20 30 CGEDHN CC[C@H](CC#N)NCC[C@@H](C)OCc1ccccc1 ZINC000583820644 378351063 /nfs/dbraw/zinc/35/10/63/378351063.db2.gz LNIGBEJISJYUJU-GDBMZVCRSA-N 0 3 260.381 3.264 20 30 CGEDHN C=CCOc1ccccc1CN(C)C1CC(OCC)C1 ZINC000583839437 378352703 /nfs/dbraw/zinc/35/27/03/378352703.db2.gz IAPMXYMNBHQQMQ-UHFFFAOYSA-N 0 3 275.392 3.251 20 30 CGEDHN C[C@@H](C[C@H](O)c1cccs1)NCc1cccc(C#N)c1 ZINC000270618630 378376478 /nfs/dbraw/zinc/37/64/78/378376478.db2.gz FDUOHNSFQSIAAJ-WFASDCNBSA-N 0 3 286.400 3.222 20 30 CGEDHN C#CCCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000270990976 378423987 /nfs/dbraw/zinc/42/39/87/378423987.db2.gz DTLANGPJPYGWSE-OAHLLOKOSA-N 0 3 271.360 3.008 20 30 CGEDHN C#CCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000271004126 378425658 /nfs/dbraw/zinc/42/56/58/378425658.db2.gz GSNCTIWWWRAERG-GOSISDBHSA-N 0 3 264.372 3.307 20 30 CGEDHN C[C@H](NCCOC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000346152790 378482764 /nfs/dbraw/zinc/48/27/64/378482764.db2.gz FCLJVYLEZUSRAX-LBPRGKRZSA-N 0 3 276.355 3.307 20 30 CGEDHN C[C@H](NCc1cccc(CO)c1)c1ccc(C#N)c(F)c1 ZINC000346199956 378502486 /nfs/dbraw/zinc/50/24/86/378502486.db2.gz QMVGJBSBWSREND-LBPRGKRZSA-N 0 3 284.334 3.040 20 30 CGEDHN C[C@H](NC[C@@](C)(O)c1ccsc1)c1cccc(C#N)c1 ZINC000271911549 378515341 /nfs/dbraw/zinc/51/53/41/378515341.db2.gz YAVAIAQITGDWBX-BLLLJJGKSA-N 0 3 286.400 3.178 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000637623842 378542449 /nfs/dbraw/zinc/54/24/49/378542449.db2.gz OWTPHUZKPYGUNU-HUUCEWRRSA-N 0 3 295.471 3.103 20 30 CGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(CO)c1 ZINC000271971375 378533152 /nfs/dbraw/zinc/53/31/52/378533152.db2.gz NGCZOFFALVKRAH-UONOGXRCSA-N 0 3 280.371 3.462 20 30 CGEDHN CCC1(CC)CCCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000346479605 378591003 /nfs/dbraw/zinc/59/10/03/378591003.db2.gz WVKMUWKLNZMETQ-OAHLLOKOSA-N 0 3 293.455 3.039 20 30 CGEDHN CCN1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000266151621 190235251 /nfs/dbraw/zinc/23/52/51/190235251.db2.gz KNSYHKHCAXQUTQ-UHFFFAOYSA-N 0 3 263.772 3.108 20 30 CGEDHN C=C(CC)CN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347359161 378717827 /nfs/dbraw/zinc/71/78/27/378717827.db2.gz WFIKYGLTERSGPZ-CABCVRRESA-N 0 3 277.433 3.453 20 30 CGEDHN C=CCOCCCN[C@H](C)c1c(F)cccc1OC ZINC000348056453 378771082 /nfs/dbraw/zinc/77/10/82/378771082.db2.gz RGCXCDUTVWTFAP-GFCCVEGCSA-N 0 3 267.344 3.078 20 30 CGEDHN C=CCOCCCN[C@H](CC)c1nc(C)cs1 ZINC000348063401 378773014 /nfs/dbraw/zinc/77/30/14/378773014.db2.gz VXJAHFACXKFKSV-GFCCVEGCSA-N 0 3 254.399 3.085 20 30 CGEDHN C=CCOCCCN[C@H](C)c1cc(C)ccc1OC ZINC000348029605 378758456 /nfs/dbraw/zinc/75/84/56/378758456.db2.gz GBUCXAHXQVASTM-CQSZACIVSA-N 0 3 263.381 3.247 20 30 CGEDHN C=CCN(CC=C)C(=O)CN1CCCC2(CCCCC2)C1 ZINC000348138679 378810112 /nfs/dbraw/zinc/81/01/12/378810112.db2.gz JFRHZYWMMRPUFP-UHFFFAOYSA-N 0 3 290.451 3.233 20 30 CGEDHN COc1cc(C#N)ccc1CN1CCCC2(CCC2)C1 ZINC000348183276 378826917 /nfs/dbraw/zinc/82/69/17/378826917.db2.gz UPYFCUKWQOZGNW-UHFFFAOYSA-N 0 3 270.376 3.333 20 30 CGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1CCC1 ZINC000348208533 378840673 /nfs/dbraw/zinc/84/06/73/378840673.db2.gz SWHHOCDOJZMHND-HNNXBMFYSA-N 0 3 299.418 3.054 20 30 CGEDHN C=C(C)COCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000638756885 378900340 /nfs/dbraw/zinc/90/03/40/378900340.db2.gz DXCHMTRWOQRUSD-UHFFFAOYSA-N 0 3 292.329 3.195 20 30 CGEDHN C=CCCC(C)(C)CNC(=O)C[C@H](N)c1ccccc1 ZINC000638875197 378944856 /nfs/dbraw/zinc/94/48/56/378944856.db2.gz ONQCFEVFEMDSAK-HNNXBMFYSA-N 0 3 274.408 3.185 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@H]2CCC[C@H]2O)cc1Cl ZINC000348545313 378986444 /nfs/dbraw/zinc/98/64/44/378986444.db2.gz KNNWETIQYDCSEI-LSDHHAIUSA-N 0 3 295.810 3.250 20 30 CGEDHN Cc1cc(CN(CCN(C)C)Cc2ccco2)ccc1C#N ZINC000349290878 379218229 /nfs/dbraw/zinc/21/82/29/379218229.db2.gz YHJVRIFYCSNYKN-UHFFFAOYSA-N 0 3 297.402 3.024 20 30 CGEDHN C=CC[C@@H]1N(Cc2cc(=O)c(OC)co2)CCCC1(C)C ZINC000277749039 379227402 /nfs/dbraw/zinc/22/74/02/379227402.db2.gz LIXLPUZUIISOIV-INIZCTEOSA-N 0 3 291.391 3.215 20 30 CGEDHN C=CCC1(N[C@@H](c2nccn2C)C2CC2)CCCC1 ZINC000639322568 379274111 /nfs/dbraw/zinc/27/41/11/379274111.db2.gz WJCZIKVDVGMZNV-CQSZACIVSA-N 0 3 259.397 3.350 20 30 CGEDHN C=CCNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278401494 379374843 /nfs/dbraw/zinc/37/48/43/379374843.db2.gz WKZASPHTZFXMKU-UHFFFAOYSA-N 0 3 285.309 3.487 20 30 CGEDHN COc1ccc(OC(F)F)c(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000349786464 379383274 /nfs/dbraw/zinc/38/32/74/379383274.db2.gz IAMAYCOQLCKLDN-CMPLNLGQSA-N 0 3 296.317 3.078 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(OC(F)F)c2)C1 ZINC000349804412 379393044 /nfs/dbraw/zinc/39/30/44/379393044.db2.gz SFAOTEUKQROTPJ-ZYHUDNBSSA-N 0 3 266.291 3.070 20 30 CGEDHN N#Cc1cccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374482438 379446456 /nfs/dbraw/zinc/44/64/56/379446456.db2.gz RZQDVMHPAOBFMQ-RTBURBONSA-N 0 3 292.382 3.426 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OC(F)F)C1 ZINC000349821275 379401545 /nfs/dbraw/zinc/40/15/45/379401545.db2.gz JTLGPKKNLBZBGZ-CMPLNLGQSA-N 0 3 266.291 3.070 20 30 CGEDHN CC#CCN1CCC2(CC1)c1ccccc1N=C2C ZINC000639716016 379558124 /nfs/dbraw/zinc/55/81/24/379558124.db2.gz WCYUKYDPFSXNGW-UHFFFAOYSA-N 0 3 252.361 3.150 20 30 CGEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)CC(C)(C)O ZINC000267340518 190322391 /nfs/dbraw/zinc/32/23/91/190322391.db2.gz CFIIZGWIQOFURO-UHFFFAOYSA-N 0 3 299.336 3.150 20 30 CGEDHN CN(CC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000352404189 379799251 /nfs/dbraw/zinc/79/92/51/379799251.db2.gz DTLUKIAIEGXVSG-INIZCTEOSA-N 0 3 299.418 3.032 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000280724486 379772423 /nfs/dbraw/zinc/77/24/23/379772423.db2.gz GAXUGRHTRSSXML-WQGACYEGSA-N 0 3 279.355 3.163 20 30 CGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1csc(C)n1 ZINC000280902113 379809254 /nfs/dbraw/zinc/80/92/54/379809254.db2.gz RELXAYJGTXYZEK-OSMZGAPFSA-N 0 3 266.410 3.083 20 30 CGEDHN N#Cc1ccc(CNC[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000403507004 379974683 /nfs/dbraw/zinc/97/46/83/379974683.db2.gz BBFFPZRQIXYGNT-VNHYZAJKSA-N 0 3 258.340 3.223 20 30 CGEDHN CC(C)CCC[C@H](C)NCc1nc(C#N)cs1 ZINC000352843636 379999537 /nfs/dbraw/zinc/99/95/37/379999537.db2.gz BIZIATGTPGOIML-NSHDSACASA-N 0 3 251.399 3.319 20 30 CGEDHN C=C(C)CN(CC[C@H]1CCCO1)Cc1cnn(C(C)C)c1 ZINC000352904956 380029341 /nfs/dbraw/zinc/02/93/41/380029341.db2.gz WFWJZZFMMJFLSV-QGZVFWFLSA-N 0 3 291.439 3.411 20 30 CGEDHN C=CCOc1ccc(CNC/C=C/c2ccncc2)cc1 ZINC000352924266 380041764 /nfs/dbraw/zinc/04/17/64/380041764.db2.gz YTPRJTKODIVDPG-ONEGZZNKSA-N 0 3 280.371 3.449 20 30 CGEDHN C[C@H](CCC#N)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000411435572 380146675 /nfs/dbraw/zinc/14/66/75/380146675.db2.gz ZUZZZKWGFOQSPQ-CQSZACIVSA-N 0 3 298.386 3.239 20 30 CGEDHN C=CCC(CC=C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000268151006 190381119 /nfs/dbraw/zinc/38/11/19/190381119.db2.gz KVINYCROHUJSLM-UHFFFAOYSA-N 0 3 272.392 3.455 20 30 CGEDHN COCCOc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000414168997 380197507 /nfs/dbraw/zinc/19/75/07/380197507.db2.gz RHIKREYHADFUSI-AWEZNQCLSA-N 0 3 290.407 3.302 20 30 CGEDHN C=CCOc1ccc(CN[C@H]2CS[C@@H](C)C2)cc1OC ZINC000414495021 380270181 /nfs/dbraw/zinc/27/01/81/380270181.db2.gz AWZHRFIJCFCETP-GXTWGEPZSA-N 0 3 293.432 3.244 20 30 CGEDHN CC(C)(C)[C@@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000414531182 380304038 /nfs/dbraw/zinc/30/40/38/380304038.db2.gz FVPFDEUIPZPDHG-NEPJUHHUSA-N 0 3 263.410 3.319 20 30 CGEDHN C=CCOCCN1CCCC[C@@H]1c1ccccc1OC ZINC000645085880 380575508 /nfs/dbraw/zinc/57/55/08/380575508.db2.gz QHOAOOKAEABANM-MRXNPFEDSA-N 0 3 275.392 3.425 20 30 CGEDHN C=C(C)CN1CCC(Nc2ncnc3[nH]c(C)c(C)c32)CC1 ZINC000645164846 380600230 /nfs/dbraw/zinc/60/02/30/380600230.db2.gz RTNWHLDJAWALTF-UHFFFAOYSA-N 0 3 299.422 3.027 20 30 CGEDHN C=CCN(CC=C)C(=O)CN([C@@H](C)[C@H](C)CC)C1CC1 ZINC000355799350 380781658 /nfs/dbraw/zinc/78/16/58/380781658.db2.gz PPKNWBSFMMVOOI-CABCVRRESA-N 0 3 278.440 3.086 20 30 CGEDHN C=C(C)CN1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420927105 380863172 /nfs/dbraw/zinc/86/31/72/380863172.db2.gz NXJTYWMJHKSPEW-QWHCGFSZSA-N 0 3 253.386 3.005 20 30 CGEDHN CC#CCCN1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421046063 380870721 /nfs/dbraw/zinc/87/07/21/380870721.db2.gz VXBZVWLFNVHESS-UHFFFAOYSA-N 0 3 273.376 3.082 20 30 CGEDHN C[C@](O)(CNCc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000421347749 380888351 /nfs/dbraw/zinc/88/83/51/380888351.db2.gz AODIAGRSTLZRAA-KRWDZBQOSA-N 0 3 290.382 3.118 20 30 CGEDHN CC[C@@H]1C[C@H](CN(C)Cc2cc(C#N)ccc2F)CCO1 ZINC000356912513 380934171 /nfs/dbraw/zinc/93/41/71/380934171.db2.gz JPFXQNJRSLHGMH-GDBMZVCRSA-N 0 3 290.382 3.334 20 30 CGEDHN C=CCN(CCOc1ccc(SC)cc1)C1CC1 ZINC000357529210 381195962 /nfs/dbraw/zinc/19/59/62/381195962.db2.gz MOBQUXLMUYTVBW-UHFFFAOYSA-N 0 3 263.406 3.438 20 30 CGEDHN C=C(C)CN1CCC(NCc2ccc(Cl)o2)CC1 ZINC000358145844 381293833 /nfs/dbraw/zinc/29/38/33/381293833.db2.gz CEBXUBBKTJPNOR-UHFFFAOYSA-N 0 3 268.788 3.063 20 30 CGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000358337019 381305620 /nfs/dbraw/zinc/30/56/20/381305620.db2.gz DWKPNLCRQDCVNC-OLMNPRSZSA-N 0 3 283.419 3.104 20 30 CGEDHN C=C(CC)CN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000358496018 381312348 /nfs/dbraw/zinc/31/23/48/381312348.db2.gz IYRXRFXPFXVANE-FZKQIMNGSA-N 0 3 265.422 3.383 20 30 CGEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)CC1CCC1 ZINC000361481990 381765727 /nfs/dbraw/zinc/76/57/27/381765727.db2.gz SWCLDKIIEBVXMM-UHFFFAOYSA-N 0 3 299.418 3.055 20 30 CGEDHN COC1(CN(C)Cc2cccc(C#N)c2)CCCCC1 ZINC000361500137 381777482 /nfs/dbraw/zinc/77/74/82/381777482.db2.gz AKUDQBCMUNHQBT-UHFFFAOYSA-N 0 3 272.392 3.339 20 30 CGEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)CC1CC1 ZINC000362244292 381917112 /nfs/dbraw/zinc/91/71/12/381917112.db2.gz AJTANRIOQPMKCH-UHFFFAOYSA-N 0 3 280.318 3.392 20 30 CGEDHN C[C@H]1CC[C@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000362439833 381991592 /nfs/dbraw/zinc/99/15/92/381991592.db2.gz PMPMWFYZXMAWCT-KBPBESRZSA-N 0 3 267.376 3.431 20 30 CGEDHN CC1=CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000280901967 195021970 /nfs/dbraw/zinc/02/19/70/195021970.db2.gz RDSAUXPLSUSPDM-UHFFFAOYSA-N 0 3 292.386 3.111 20 30 CGEDHN Cc1cccc(CN(CCN(C)C)Cc2ccc(C#N)o2)c1 ZINC000289389677 197324334 /nfs/dbraw/zinc/32/43/34/197324334.db2.gz DTDPGPAYZODDPP-UHFFFAOYSA-N 0 3 297.402 3.024 20 30 CGEDHN C=CCCNCc1ccc(OC)cc1Br ZINC000308849160 542423702 /nfs/dbraw/zinc/42/37/02/542423702.db2.gz GJLZPXDOUZWMMD-UHFFFAOYSA-N 0 3 270.170 3.123 20 30 CGEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1ccc(Cl)s1 ZINC000309538185 542425388 /nfs/dbraw/zinc/42/53/88/542425388.db2.gz FLGLMNNZBXEEFK-UWVGGRQHSA-N 0 3 259.802 3.379 20 30 CGEDHN COc1cccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)c1 ZINC000281672966 195330147 /nfs/dbraw/zinc/33/01/47/195330147.db2.gz LTYWJMAWYPSMAX-CYBMUJFWSA-N 0 3 296.370 3.426 20 30 CGEDHN C[C@@H](N[C@@H](C)CN1CCCCC1)c1ccc(C#N)cc1F ZINC000358570636 533497757 /nfs/dbraw/zinc/49/77/57/533497757.db2.gz NLFAAKKWABSNAY-UONOGXRCSA-N 0 3 289.398 3.222 20 30 CGEDHN C[C@@H](N[C@H]1CCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000366213620 533545288 /nfs/dbraw/zinc/54/52/88/533545288.db2.gz KHDVXROYNJJJSI-QAPCUYQASA-N 0 3 291.398 3.488 20 30 CGEDHN Cc1cccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000048870917 392022787 /nfs/dbraw/zinc/02/27/87/392022787.db2.gz QNAPJBTWHDKCCC-GOSISDBHSA-N 0 3 280.371 3.032 20 30 CGEDHN CC[C@H]1CCCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093530167 392239224 /nfs/dbraw/zinc/23/92/24/392239224.db2.gz ALSWPMROZFDCRM-HNNXBMFYSA-N 0 3 282.391 3.361 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2occc2C(C)C)CC1 ZINC000284071747 392310765 /nfs/dbraw/zinc/31/07/65/392310765.db2.gz RWDWDEHWASOYDU-UHFFFAOYSA-N 0 3 290.407 3.173 20 30 CGEDHN COCCN(Cc1ccccc1C#N)C[C@H]1CC=CCC1 ZINC000361675175 392293032 /nfs/dbraw/zinc/29/30/32/392293032.db2.gz KTHVGXSYGYHAHZ-INIZCTEOSA-N 0 3 284.403 3.363 20 30 CGEDHN Cc1ccc([C@H](CNc2cc(C#N)ccn2)N2CCCC2)o1 ZINC000286044410 392367439 /nfs/dbraw/zinc/36/74/39/392367439.db2.gz ALOIMIMHUZVJGR-HNNXBMFYSA-N 0 3 296.374 3.104 20 30 CGEDHN C#CC(C)(C)N(C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000286059447 392371243 /nfs/dbraw/zinc/37/12/43/392371243.db2.gz JATWCXVXXHIXIW-UHFFFAOYSA-N 0 3 290.432 3.304 20 30 CGEDHN C=CCC[C@@H](O)CN(CC=C)Cc1cccs1 ZINC000121317189 392412139 /nfs/dbraw/zinc/41/21/39/392412139.db2.gz CFEGUOKXQOAADL-CYBMUJFWSA-N 0 3 251.395 3.063 20 30 CGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000289710392 392429633 /nfs/dbraw/zinc/42/96/33/392429633.db2.gz JBOFQRCVPXIOPB-HIFRSBDPSA-N 0 3 292.398 3.014 20 30 CGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000289721265 392429716 /nfs/dbraw/zinc/42/97/16/392429716.db2.gz JQTHCOVKRDXAHN-NVXWUHKLSA-N 0 3 288.435 3.265 20 30 CGEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000121146977 392408483 /nfs/dbraw/zinc/40/84/83/392408483.db2.gz HJJFCGLVQDRZNF-HUUCEWRRSA-N 0 3 266.429 3.064 20 30 CGEDHN C=CCOc1cccc(CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000372433522 392611945 /nfs/dbraw/zinc/61/19/45/392611945.db2.gz JTYNEOBCMWHIND-UHFFFAOYSA-N 0 3 297.402 3.354 20 30 CGEDHN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1CCCCC#N ZINC000374143157 392669635 /nfs/dbraw/zinc/66/96/35/392669635.db2.gz RMGSGJSFCLFCMK-HZPDHXFCSA-N 0 3 292.423 3.124 20 30 CGEDHN Clc1cccc(C#CCN2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374412310 392678268 /nfs/dbraw/zinc/67/82/68/392678268.db2.gz RIKRKLZEYIKWBD-JKSUJKDBSA-N 0 3 289.806 3.050 20 30 CGEDHN CCCC[C@@H](COC)N[C@@H](C)c1ccc(C#N)cc1 ZINC000174112608 392636108 /nfs/dbraw/zinc/63/61/08/392636108.db2.gz ZWOAOFMGDBACJB-BBRMVZONSA-N 0 3 260.381 3.414 20 30 CGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000186120665 392778484 /nfs/dbraw/zinc/77/84/84/392778484.db2.gz HTARFPVRFNWYLY-BBRMVZONSA-N 0 3 280.375 3.222 20 30 CGEDHN C[C@@H]1CC[C@H](CN(Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000190460416 392815638 /nfs/dbraw/zinc/81/56/38/392815638.db2.gz BHLKVLWRASRMPA-CXAGYDPISA-N 0 3 270.376 3.090 20 30 CGEDHN CC1(C)SC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000338479001 392915927 /nfs/dbraw/zinc/91/59/27/392915927.db2.gz YZERONXPIMYKDX-OAHLLOKOSA-N 0 3 290.432 3.353 20 30 CGEDHN N#Cc1ccc(F)cc1CN1CCC[C@@H]1C1CCOCC1 ZINC000336387061 392852905 /nfs/dbraw/zinc/85/29/05/392852905.db2.gz JYZIFPSZIRKEIS-QGZVFWFLSA-N 0 3 288.366 3.088 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N2CCC(OCC3CCCC3)CC2)C1 ZINC000339013475 392942020 /nfs/dbraw/zinc/94/20/20/392942020.db2.gz HCRQGPJINJHGAJ-HZPDHXFCSA-N 0 3 276.424 3.350 20 30 CGEDHN CC(C)O[C@@]1(C)C[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000528003089 392962934 /nfs/dbraw/zinc/96/29/34/392962934.db2.gz ATWRJHUWXPTNGZ-BBWFWOEESA-N 0 3 270.376 3.091 20 30 CGEDHN C[C@H](CCC#N)N1CCCN(c2ccccc2F)CC1 ZINC000411720151 392986258 /nfs/dbraw/zinc/98/62/58/392986258.db2.gz GHDQLRBXLHLKRH-CQSZACIVSA-N 0 3 275.371 3.030 20 30 CGEDHN C=CCOCCCN(C)Cc1ccc(OC)c(Cl)c1 ZINC000412047052 392994626 /nfs/dbraw/zinc/99/46/26/392994626.db2.gz UGMXGDFJZXQFSO-UHFFFAOYSA-N 0 3 283.799 3.373 20 30 CGEDHN C=C(C)CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412379237 393001524 /nfs/dbraw/zinc/00/15/24/393001524.db2.gz GESFDEYXMHTSRG-UHFFFAOYSA-N 0 3 286.419 3.369 20 30 CGEDHN N#Cc1cccc(CN2CCC[C@@H]3CCC[C@@H]32)c1F ZINC000219523450 393001751 /nfs/dbraw/zinc/00/17/51/393001751.db2.gz LZQBHISUYIIFNC-WFASDCNBSA-N 0 3 258.340 3.462 20 30 CGEDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000343312985 393024765 /nfs/dbraw/zinc/02/47/65/393024765.db2.gz FSLDULMLHCNTIJ-ZBFHGGJFSA-N 0 3 254.377 3.243 20 30 CGEDHN CC(C)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000231699326 393025118 /nfs/dbraw/zinc/02/51/18/393025118.db2.gz SIGVZIMSJOTURB-UHFFFAOYSA-N 0 3 272.392 3.305 20 30 CGEDHN C=CCOc1ccc(CN(C)[C@@H](C)CC(=O)OCC)cc1 ZINC000346316532 393083929 /nfs/dbraw/zinc/08/39/29/393083929.db2.gz ANFIJQQXBIUOHW-AWEZNQCLSA-N 0 3 291.391 3.025 20 30 CGEDHN C[C@@H]1CC(C)(C)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000413968279 393035656 /nfs/dbraw/zinc/03/56/56/393035656.db2.gz ARMYBGUHHSVOLS-ZBFHGGJFSA-N 0 3 284.403 3.406 20 30 CGEDHN C=CCOc1cccc(CNCC2([C@@H](O)C(C)C)CC2)c1 ZINC000345711840 393065086 /nfs/dbraw/zinc/06/50/86/393065086.db2.gz UPADCAGATZABIQ-KRWDZBQOSA-N 0 3 289.419 3.138 20 30 CGEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccccc1Cl ZINC000346179955 393078834 /nfs/dbraw/zinc/07/88/34/393078834.db2.gz GBJNNTPVHLLTNA-GXFFZTMASA-N 0 3 264.756 3.313 20 30 CGEDHN C=CCN(Cc1cnn(C)c1C)CC1CCCCC1 ZINC000353556743 393224689 /nfs/dbraw/zinc/22/46/89/393224689.db2.gz BAQXVXUFWAWMHP-UHFFFAOYSA-N 0 3 261.413 3.297 20 30 CGEDHN C[C@H]1[C@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000470948096 393268789 /nfs/dbraw/zinc/26/87/89/393268789.db2.gz KHGVURNUXVIYBX-SMDDNHRTSA-N 0 3 298.308 3.210 20 30 CGEDHN CC(C)CC[C@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000280404488 393342152 /nfs/dbraw/zinc/34/21/52/393342152.db2.gz XYLNLJVGSKWTEP-CJNGLKHVSA-N 0 3 260.381 3.006 20 30 CGEDHN Cc1cc(CN(C)[C@@H](CCO)c2ccccc2)ccc1C#N ZINC000488415292 393505248 /nfs/dbraw/zinc/50/52/48/393505248.db2.gz AFURVGDZSHEZOP-IBGZPJMESA-N 0 3 294.398 3.422 20 30 CGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(-n2cccn2)cc1 ZINC000430723386 393590909 /nfs/dbraw/zinc/59/09/09/393590909.db2.gz JLSJPEMPUPIZQT-AWEZNQCLSA-N 0 3 280.375 3.217 20 30 CGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(C)(C)C#N ZINC000425533144 393698024 /nfs/dbraw/zinc/69/80/24/393698024.db2.gz KLIHZFRUEKNFEL-CYBMUJFWSA-N 0 3 255.365 3.491 20 30 CGEDHN C=CCN(CC=C)[C@@H](CNCc1ccncc1F)C(C)C ZINC000449075045 393874623 /nfs/dbraw/zinc/87/46/23/393874623.db2.gz MEMMRNHQSZTEGH-KRWDZBQOSA-N 0 3 291.414 3.009 20 30 CGEDHN C[C@@H](NCCC[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000453392924 394229417 /nfs/dbraw/zinc/22/94/17/394229417.db2.gz ZAOGIBQYPHECSP-OLZOCXBDSA-N 0 3 276.355 3.165 20 30 CGEDHN C=C(C)COc1cc(CN2CC[C@@H]3C[C@@H]3C2)ccc1OC ZINC000668676630 543042986 /nfs/dbraw/zinc/04/29/86/543042986.db2.gz UJHRAZMOCQWPOG-HZPDHXFCSA-N 0 3 287.403 3.492 20 30 CGEDHN C=C(C)COc1cc(CN2CC[C@H]3C[C@H]3C2)ccc1OC ZINC000668676629 543042693 /nfs/dbraw/zinc/04/26/93/543042693.db2.gz UJHRAZMOCQWPOG-HOTGVXAUSA-N 0 3 287.403 3.492 20 30 CGEDHN Cc1ccc(CN(C)CCOc2cccc(C#N)c2)cc1 ZINC000034674355 397605851 /nfs/dbraw/zinc/60/58/51/397605851.db2.gz AQZVKEPNRMZDMG-UHFFFAOYSA-N 0 3 280.371 3.378 20 30 CGEDHN C=CCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000338566468 397683811 /nfs/dbraw/zinc/68/38/11/397683811.db2.gz RCVJTVXSUFNFSU-UHFFFAOYSA-N 0 3 271.360 3.123 20 30 CGEDHN CC(C)OC[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619748718 397714776 /nfs/dbraw/zinc/71/47/76/397714776.db2.gz MGYPKINQJCXSOU-LLVKDONJSA-N 0 3 266.772 3.115 20 30 CGEDHN CCCN(CC#CCOC)[C@H]1CCc2ccccc21 ZINC000677818361 543467341 /nfs/dbraw/zinc/46/73/41/543467341.db2.gz JWNVBVRVQQSWJL-KRWDZBQOSA-N 0 3 257.377 3.036 20 30 CGEDHN C=C(CC)CN1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000678624408 543547522 /nfs/dbraw/zinc/54/75/22/543547522.db2.gz AKFAKYKNVDIRCO-GOSISDBHSA-N 0 3 292.467 3.456 20 30 CGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000678745440 543553414 /nfs/dbraw/zinc/55/34/14/543553414.db2.gz QVSYZWRFVHPUJT-KGLIPLIRSA-N 0 3 284.403 3.488 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OCCC)c(OC)c1 ZINC000678745694 543553423 /nfs/dbraw/zinc/55/34/23/543553423.db2.gz SCNJVUKRQHBJGG-DZGCQCFKSA-N 0 3 293.407 3.072 20 30 CGEDHN C=CCN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000678780862 543557284 /nfs/dbraw/zinc/55/72/84/543557284.db2.gz RZACYZJAKKVQLG-LBPRGKRZSA-N 0 3 259.271 3.169 20 30 CGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000678723874 543550508 /nfs/dbraw/zinc/55/05/08/543550508.db2.gz BOMQEVXVCRDVBZ-UKRRQHHQSA-N 0 3 293.407 3.072 20 30 CGEDHN COCC#CCN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000678791151 543559009 /nfs/dbraw/zinc/55/90/09/543559009.db2.gz JMCLHJPXRGXJOV-MRXNPFEDSA-N 0 3 259.393 3.322 20 30 CGEDHN N#Cc1ccc(CNCCCF)c(C(F)(F)F)c1 ZINC000554972435 289321766 /nfs/dbraw/zinc/32/17/66/289321766.db2.gz YWSOXSCXDQKNHF-UHFFFAOYSA-N 0 3 260.234 3.026 20 30 CGEDHN N#Cc1cccc(CNCCc2c(F)cccc2F)c1 ZINC000069749817 165055096 /nfs/dbraw/zinc/05/50/96/165055096.db2.gz VEPDVYSNBNVISH-UHFFFAOYSA-N 0 3 272.298 3.169 20 30 CGEDHN C[C@@H]1OCC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412224 165265019 /nfs/dbraw/zinc/26/50/19/165265019.db2.gz MAPLBOAMHPNTKN-LIRRHRJNSA-N 0 3 292.382 3.492 20 30 CGEDHN CC[C@@]1(C)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093458978 165329792 /nfs/dbraw/zinc/32/97/92/165329792.db2.gz NQRSCYDWLRDUIF-KRWDZBQOSA-N 0 3 282.391 3.218 20 30 CGEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000093868680 165341196 /nfs/dbraw/zinc/34/11/96/165341196.db2.gz VTBQWUUKUZJMHT-FZMZJTMJSA-N 0 3 264.394 3.257 20 30 CGEDHN CC(C)(C)[C@H](CCO)NCc1ccc(C#N)cc1Cl ZINC000221121668 165755475 /nfs/dbraw/zinc/75/54/75/165755475.db2.gz MZPPBHMSIYWOOC-AWEZNQCLSA-N 0 3 280.799 3.098 20 30 CGEDHN C[C@@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CN1C1CC1 ZINC000122818585 287212965 /nfs/dbraw/zinc/21/29/65/287212965.db2.gz XNLFPOGSJHELQD-MFKMUULPSA-N 0 3 275.783 3.249 20 30 CGEDHN CC[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000125868899 287252168 /nfs/dbraw/zinc/25/21/68/287252168.db2.gz GDOHYNAIPPQCSX-ZDUSSCGKSA-N 0 3 253.349 3.043 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCOCC3)CC2)s1 ZINC000285301995 196245149 /nfs/dbraw/zinc/24/51/49/196245149.db2.gz VYOKCEKKCLZIQC-UHFFFAOYSA-N 0 3 276.405 3.012 20 30 CGEDHN N#Cc1cccc(COc2cccc(CNC3CC3)c2)c1 ZINC000037505251 173240668 /nfs/dbraw/zinc/24/06/68/173240668.db2.gz NGQMIOHOTOGDKC-UHFFFAOYSA-N 0 3 278.355 3.389 20 30 CGEDHN Cc1nn(-c2ccc(Cl)cc2)cc1CNCCCC#N ZINC000344303531 225021950 /nfs/dbraw/zinc/02/19/50/225021950.db2.gz MPWCBJLRPAIZMN-UHFFFAOYSA-N 0 3 288.782 3.228 20 30 CGEDHN C=CC[C@@H](CO)CNCc1c(Cl)ccc2cccnc21 ZINC000679719197 543657432 /nfs/dbraw/zinc/65/74/32/543657432.db2.gz IYFDJQUXSWLCJS-GFCCVEGCSA-N 0 3 290.794 3.162 20 30 CGEDHN CCC#C[C@@H](C)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679871868 543666548 /nfs/dbraw/zinc/66/65/48/543666548.db2.gz BCPKPLRPXYNIDX-OLZOCXBDSA-N 0 3 299.340 3.341 20 30 CGEDHN C=CCOCCN[C@H]1CCCSc2ccc(OC)cc21 ZINC000682140639 543828564 /nfs/dbraw/zinc/82/85/64/543828564.db2.gz JYDHKTAIKHPBPT-HNNXBMFYSA-N 0 3 293.432 3.414 20 30 CGEDHN CC(C#N)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000335264041 226095994 /nfs/dbraw/zinc/09/59/94/226095994.db2.gz TYAQYRJOBCRMPC-NSHDSACASA-N 0 3 290.313 3.130 20 30 CGEDHN C=CCOCCNCc1ccc(N(C)c2ccccc2)nc1 ZINC000684766978 544027431 /nfs/dbraw/zinc/02/74/31/544027431.db2.gz SLCFDDXLBFHIHA-UHFFFAOYSA-N 0 3 297.402 3.142 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OC(F)F)cc2)C1 ZINC000349792976 226843128 /nfs/dbraw/zinc/84/31/28/226843128.db2.gz UQEKRYOCSCTAAA-VXGBXAGGSA-N 0 3 266.291 3.070 20 30 CGEDHN COCc1ccccc1/C=C(/C)CNCCCC#N ZINC000352854912 227339546 /nfs/dbraw/zinc/33/95/46/227339546.db2.gz AYYWUDVKBDRVKM-KAMYIIQDSA-N 0 3 258.365 3.130 20 30 CGEDHN C=CCCn1cc(CN2CCCCC[C@H]2CC)nn1 ZINC000653558829 419048209 /nfs/dbraw/zinc/04/82/09/419048209.db2.gz YYARTDCJAAMFOP-OAHLLOKOSA-N 0 3 262.401 3.009 20 30 CGEDHN C=CCC1(NC(=O)NC[C@H]2CCN2C(C)(C)C)CCCC1 ZINC000665355493 419117279 /nfs/dbraw/zinc/11/72/79/419117279.db2.gz XBCAOPGDVMFSEG-CQSZACIVSA-N 0 3 293.455 3.047 20 30 CGEDHN C=CCCn1cc(CN2CCC[C@@H](C)[C@@H]2CCC)nn1 ZINC000653582194 419053816 /nfs/dbraw/zinc/05/38/16/419053816.db2.gz BCDCQRQOIAURDR-ZBFHGGJFSA-N 0 3 276.428 3.255 20 30 CGEDHN C=C(C)[C@@H](CO)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000653585915 419054099 /nfs/dbraw/zinc/05/40/99/419054099.db2.gz PIVPIMAWFHNTGP-QGZVFWFLSA-N 0 3 275.367 3.242 20 30 CGEDHN C=CCCn1cc(CN[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)nn1 ZINC000653608521 419059303 /nfs/dbraw/zinc/05/93/03/419059303.db2.gz VEKFGAXCXFXZBI-BHYGNILZSA-N 0 3 290.455 3.405 20 30 CGEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@@](C)(N)CC)nn1 ZINC000656458122 419173677 /nfs/dbraw/zinc/17/36/77/419173677.db2.gz XYZOUFYBWISIBT-WBVHZDCISA-N 0 3 284.407 3.222 20 30 CGEDHN C=CCN(CCc1cccc(F)c1F)[C@H](C)COC ZINC000661240635 419243372 /nfs/dbraw/zinc/24/33/72/419243372.db2.gz PJJSHEXSYLGDIC-GFCCVEGCSA-N 0 3 269.335 3.030 20 30 CGEDHN C=CCCn1cc(CN[C@@H](C)CCC(C)(C)C)nn1 ZINC000657368084 419261674 /nfs/dbraw/zinc/26/16/74/419261674.db2.gz UIZHJDQDNFZKHR-ZDUSSCGKSA-N 0 3 264.417 3.159 20 30 CGEDHN C=CCCn1cc(CNCC(CC)(CC)CC)nn1 ZINC000657394712 419269536 /nfs/dbraw/zinc/26/95/36/419269536.db2.gz RTELDYAYSLWGNV-UHFFFAOYSA-N 0 3 264.417 3.160 20 30 CGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nccc(OC)c1OC ZINC000661115882 419232151 /nfs/dbraw/zinc/23/21/51/419232151.db2.gz UYMDDHYLONVLST-UONOGXRCSA-N 0 3 290.407 3.323 20 30 CGEDHN C=CCC(C)(C)CNCc1c(C(F)(F)F)cnn1C ZINC000657473536 419287002 /nfs/dbraw/zinc/28/70/02/419287002.db2.gz MOWDCVMARQEPAY-UHFFFAOYSA-N 0 3 275.318 3.131 20 30 CGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(C(C)(C)C)nn1 ZINC000657529272 419299430 /nfs/dbraw/zinc/29/94/30/419299430.db2.gz AWADZFYSOMVBAQ-UKRRQHHQSA-N 0 3 276.428 3.258 20 30 CGEDHN C=CCC1(NCC(=O)Nc2cc(F)cc(F)c2)CCCC1 ZINC000661848968 419304613 /nfs/dbraw/zinc/30/46/13/419304613.db2.gz PGZZABNMZNKJKJ-UHFFFAOYSA-N 0 3 294.345 3.382 20 30 CGEDHN C=C(C)COCCNCc1ccc(OCC)cc1C ZINC000657398791 419270122 /nfs/dbraw/zinc/27/01/22/419270122.db2.gz MXPMGPNAPCTXHC-UHFFFAOYSA-N 0 3 263.381 3.076 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000662080644 419333231 /nfs/dbraw/zinc/33/32/31/419333231.db2.gz LEERWADRQWEXJS-BQJWPVKWSA-N 0 3 290.451 3.062 20 30 CGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OCC)cn1 ZINC000662084867 419335008 /nfs/dbraw/zinc/33/50/08/419335008.db2.gz XSTAFMRQRXASTJ-GASCZTMLSA-N 0 3 258.365 3.163 20 30 CGEDHN C=CCCC(C)(C)NCc1cc2c(cc1OC)OCO2 ZINC000657804646 419360798 /nfs/dbraw/zinc/36/07/98/419360798.db2.gz AJGBWLYJYSKBBM-UHFFFAOYSA-N 0 3 277.364 3.258 20 30 CGEDHN C=CCCN[C@H](C)c1ncc(Br)cc1F ZINC000658114804 419589243 /nfs/dbraw/zinc/58/92/43/419589243.db2.gz RFIVJFLJDHXZAZ-MRVPVSSYSA-N 0 3 273.149 3.210 20 30 CGEDHN C=CCC[C@@H](NCc1nccc(OC)c1F)C1CC1 ZINC000658228018 419687839 /nfs/dbraw/zinc/68/78/39/419687839.db2.gz MHXHHLBOCPUGNT-GFCCVEGCSA-N 0 3 264.344 3.064 20 30 CGEDHN C=CCN(CC=C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000298193001 260147649 /nfs/dbraw/zinc/14/76/49/260147649.db2.gz QIPDKZKGTXQFOF-UHFFFAOYSA-N 0 3 284.403 3.097 20 30 CGEDHN C=CCOc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1 ZINC000075783483 260166010 /nfs/dbraw/zinc/16/60/10/260166010.db2.gz SGROCWMTOYNAGB-QGZVFWFLSA-N 0 3 297.402 3.152 20 30 CGEDHN C#CCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000299221143 260175552 /nfs/dbraw/zinc/17/55/52/260175552.db2.gz KMLMPWJLZRDPFO-UHFFFAOYSA-N 0 3 270.401 3.499 20 30 CGEDHN N#CCCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976520 260270990 /nfs/dbraw/zinc/27/09/90/260270990.db2.gz FAPNZMONRCLZAG-MRXNPFEDSA-N 0 3 288.391 3.067 20 30 CGEDHN N#CCCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976520 260270992 /nfs/dbraw/zinc/27/09/92/260270992.db2.gz FAPNZMONRCLZAG-MRXNPFEDSA-N 0 3 288.391 3.067 20 30 CGEDHN CC[C@](C)(NCCCSCC#N)c1nc(C)cs1 ZINC000080736246 260318628 /nfs/dbraw/zinc/31/86/28/260318628.db2.gz KWXJFTDHRCSQCQ-ZDUSSCGKSA-N 0 3 283.466 3.313 20 30 CGEDHN N#CCCC1CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000518377059 260390285 /nfs/dbraw/zinc/39/02/85/260390285.db2.gz PANXLEGTYDWNEB-UHFFFAOYSA-N 0 3 268.364 3.079 20 30 CGEDHN CC(C)[C@@H](NCCCC#N)c1ccc2c(c1)OCCO2 ZINC000161476647 261247676 /nfs/dbraw/zinc/24/76/76/261247676.db2.gz ACSVIFZIASCAAJ-MRXNPFEDSA-N 0 3 274.364 3.048 20 30 CGEDHN COc1ccc(OC)c([C@@H](C)NCCCCC#N)c1 ZINC000183674218 261984257 /nfs/dbraw/zinc/98/42/57/261984257.db2.gz VNZNENIXVIMEOF-GFCCVEGCSA-N 0 3 262.353 3.048 20 30 CGEDHN CC(C#N)C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000309829669 262029961 /nfs/dbraw/zinc/02/99/61/262029961.db2.gz RRRXMEDJVHVVRF-AWEZNQCLSA-N 0 3 294.354 3.041 20 30 CGEDHN CN(C)Cc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185727027 262068872 /nfs/dbraw/zinc/06/88/72/262068872.db2.gz QPCHXYOKXSEMMQ-ZFWWWQNUSA-N 0 3 257.381 3.242 20 30 CGEDHN C[C@H](CC(=O)Nc1ccccc1)NCc1cccc(C#N)c1 ZINC000319035751 262157178 /nfs/dbraw/zinc/15/71/78/262157178.db2.gz KKRXFRQVDDVFKZ-CQSZACIVSA-N 0 3 293.370 3.065 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC000192661857 262207642 /nfs/dbraw/zinc/20/76/42/262207642.db2.gz IHQSEGYYEZLOAA-DLBZAZTESA-N 0 3 283.419 3.459 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3ncccc3c2)C1 ZINC000192976641 262213248 /nfs/dbraw/zinc/21/32/48/262213248.db2.gz XUVIYEPXMMPAJC-XJKSGUPXSA-N 0 3 265.360 3.407 20 30 CGEDHN C=CCOc1ccc(CN[C@H](C)c2cccnc2)cc1 ZINC000020127945 262230977 /nfs/dbraw/zinc/23/09/77/262230977.db2.gz MHWBDTSJNWPPEN-CQSZACIVSA-N 0 3 268.360 3.497 20 30 CGEDHN C=CC1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000111260436 262259185 /nfs/dbraw/zinc/25/91/85/262259185.db2.gz CSPYHMIZFCPWGZ-HNNXBMFYSA-N 0 3 286.419 3.104 20 30 CGEDHN CCCCNC(=O)OC[C@H]1CCCCN1CCCCC#N ZINC000496284199 262341685 /nfs/dbraw/zinc/34/16/85/262341685.db2.gz OGVKGOXKKCQAQB-OAHLLOKOSA-N 0 3 295.427 3.061 20 30 CGEDHN CC(C)(CCC#N)CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365626571 262376227 /nfs/dbraw/zinc/37/62/27/262376227.db2.gz XQPWKVDCUABTKW-HUUCEWRRSA-N 0 3 276.424 3.350 20 30 CGEDHN Cc1c([C@H](C)NCCC2(C#N)CCCCC2)cnn1C ZINC000411525462 262697503 /nfs/dbraw/zinc/69/75/03/262697503.db2.gz CJVYFMNEAASMJH-ZDUSSCGKSA-N 0 3 274.412 3.243 20 30 CGEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCC(C)(C)C#N ZINC000271952053 263000576 /nfs/dbraw/zinc/00/05/76/263000576.db2.gz BCJJTGPSLCQRHU-CYBMUJFWSA-N 0 3 260.385 3.103 20 30 CGEDHN CN(CCOCc1ccccc1)CCC(C)(C)C#N ZINC000272015159 263001001 /nfs/dbraw/zinc/00/10/01/263001001.db2.gz LJBXYWWUNFQVOB-UHFFFAOYSA-N 0 3 260.381 3.075 20 30 CGEDHN N#CCCCNCc1ccccc1OCc1ccccn1 ZINC000273007621 263010799 /nfs/dbraw/zinc/01/07/99/263010799.db2.gz BFJXGCIANRMPMK-UHFFFAOYSA-N 0 3 281.359 3.054 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2ccc(Cl)cc2)C1 ZINC000274193103 263021845 /nfs/dbraw/zinc/02/18/45/263021845.db2.gz INUVAJKJKZUGSI-DFBGVHRSSA-N 0 3 278.783 3.045 20 30 CGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(N3CCCCC3)nc2)C1 ZINC000274226948 263022167 /nfs/dbraw/zinc/02/21/67/263022167.db2.gz ROCRDDQVLGKRKT-DOTOQJQBSA-N 0 3 298.434 3.244 20 30 CGEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000274583151 263026979 /nfs/dbraw/zinc/02/69/79/263026979.db2.gz CUOZPXUJKTUZKF-SNPRPXQTSA-N 0 3 288.391 3.437 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](O)C(C)(C)C1 ZINC000275465606 263033414 /nfs/dbraw/zinc/03/34/14/263033414.db2.gz NUXCAZZRAZUBKO-INIZCTEOSA-N 0 3 286.419 3.081 20 30 CGEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)CCO2 ZINC000278665379 263049760 /nfs/dbraw/zinc/04/97/60/263049760.db2.gz IZMNDFVSGKUQBW-IOASZLSFSA-N 0 3 286.375 3.191 20 30 CGEDHN CC1(C)C[C@H](NCCCC#N)c2cc([N+](=O)[O-])ccc21 ZINC000279122617 263053072 /nfs/dbraw/zinc/05/30/72/263053072.db2.gz QEQXRKCZQLIPCY-AWEZNQCLSA-N 0 3 273.336 3.211 20 30 CGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCCCCC2)cc1 ZINC000279571976 263056142 /nfs/dbraw/zinc/05/61/42/263056142.db2.gz YSBASGDVIYPVDE-KRWDZBQOSA-N 0 3 295.386 3.033 20 30 CGEDHN COCc1ccc([C@@H]2CCCN2[C@@H]2CC[C@@H](C#N)C2)o1 ZINC000280996182 263065624 /nfs/dbraw/zinc/06/56/24/263065624.db2.gz MFLQZJHVYSORSO-NFAWXSAZSA-N 0 3 274.364 3.255 20 30 CGEDHN C=C[C@H](CC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000340146050 263077823 /nfs/dbraw/zinc/07/78/23/263077823.db2.gz AWMZWHRSKCOLDM-QAPCUYQASA-N 0 3 298.430 3.041 20 30 CGEDHN N#CCSCCCN1CCC=C(c2ccco2)C1 ZINC000285295011 263091778 /nfs/dbraw/zinc/09/17/78/263091778.db2.gz KRBIUOSMRFNWHK-UHFFFAOYSA-N 0 3 262.378 3.016 20 30 CGEDHN N#CCOc1ccc(CN2CCC=C(c3ccco3)C2)cc1 ZINC000285415863 263092634 /nfs/dbraw/zinc/09/26/34/263092634.db2.gz VFRGSZBCSMKAAR-UHFFFAOYSA-N 0 3 294.354 3.471 20 30 CGEDHN C=CCC[C@H](O)CN1Cc2ccccc2C(C)(C)C1 ZINC000340229910 263098488 /nfs/dbraw/zinc/09/84/88/263098488.db2.gz AXSNRVKZZMYIHJ-HNNXBMFYSA-N 0 3 259.393 3.107 20 30 CGEDHN COC(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000287736625 263102530 /nfs/dbraw/zinc/10/25/30/263102530.db2.gz YREFLSDGBZQUOF-JSGCOSHPSA-N 0 3 287.363 3.037 20 30 CGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@H]1OCCc2sccc21 ZINC000291998419 263127091 /nfs/dbraw/zinc/12/70/91/263127091.db2.gz XKXZRSMNLHXSBH-UUIJZJDISA-N 0 3 276.405 3.032 20 30 CGEDHN Cc1ccc([C@H]2C[C@@H](C)CCN2CCOCCC#N)o1 ZINC000292925896 263136563 /nfs/dbraw/zinc/13/65/63/263136563.db2.gz YNLUZVGMEIXUKL-DZGCQCFKSA-N 0 3 276.380 3.291 20 30 CGEDHN C[C@H]1SCCN(CCOCCC#N)[C@H]1c1ccccc1 ZINC000293027244 263137167 /nfs/dbraw/zinc/13/71/67/263137167.db2.gz ITTBWIIVTJLIGV-GDBMZVCRSA-N 0 3 290.432 3.095 20 30 CGEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000293229380 263138767 /nfs/dbraw/zinc/13/87/67/263138767.db2.gz VWOVECYTQBBSMK-XPKDYRNWSA-N 0 3 258.340 3.307 20 30 CGEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@H]1CC[C@H](C#N)C1 ZINC000293493580 263141850 /nfs/dbraw/zinc/14/18/50/263141850.db2.gz NHDFMDDEDGERAF-ZFWWWQNUSA-N 0 3 288.391 3.218 20 30 CGEDHN C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(F)ccc1[O-] ZINC000296524882 263192438 /nfs/dbraw/zinc/19/24/38/263192438.db2.gz QCIGOOKCSSWZDU-GVXVVHGQSA-N 0 3 262.328 3.264 20 30 CGEDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000296583779 263193863 /nfs/dbraw/zinc/19/38/63/263193863.db2.gz UNSOWOYNJFEQEO-IHRRRGAJSA-N 0 3 258.365 3.434 20 30 CGEDHN C=C(C)COc1cc(CN[C@H](CC)COC)ccc1OC ZINC000120228044 263284038 /nfs/dbraw/zinc/28/40/38/263284038.db2.gz UVJLIWMWBCUAHB-OAHLLOKOSA-N 0 3 293.407 3.165 20 30 CGEDHN C=CC[C@H](CO)CN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000341893519 263366607 /nfs/dbraw/zinc/36/66/07/263366607.db2.gz YJHNFULKJMUVLL-SWLSCSKDSA-N 0 3 295.810 3.328 20 30 CGEDHN CN(CCCSCC#N)CCOc1ccccc1Cl ZINC000342079983 263385696 /nfs/dbraw/zinc/38/56/96/263385696.db2.gz VCOUXBUYTNJIGW-UHFFFAOYSA-N 0 3 298.839 3.297 20 30 CGEDHN CCO[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442858308 265168608 /nfs/dbraw/zinc/16/86/08/265168608.db2.gz RSZWDHSJDWYEKA-VNQPRFMTSA-N 0 3 258.365 3.046 20 30 CGEDHN CC[C@H]1C[C@@H](CN(CCC#N)CCC(C)C)CCO1 ZINC000356999565 266228998 /nfs/dbraw/zinc/22/89/98/266228998.db2.gz VFABCIKQQNPOHX-HOTGVXAUSA-N 0 3 266.429 3.453 20 30 CGEDHN CC(C#N)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000357761556 266356807 /nfs/dbraw/zinc/35/68/07/266356807.db2.gz XZTXKFACAHTMNA-VDDIYKPWSA-N 0 3 297.185 3.373 20 30 CGEDHN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000357801179 266366591 /nfs/dbraw/zinc/36/65/91/266366591.db2.gz UAQLDMYSZXFXEY-ZIAGYGMSSA-N 0 3 288.391 3.071 20 30 CGEDHN C=CCN(CCOC)[C@@H]1CCc2ccc(Cl)cc21 ZINC000361997434 266916375 /nfs/dbraw/zinc/91/63/75/266916375.db2.gz WGLBRGIBIYOYGI-OAHLLOKOSA-N 0 3 265.784 3.462 20 30 CGEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000119342739 267324055 /nfs/dbraw/zinc/32/40/55/267324055.db2.gz CQSLCQKNOBHEMK-OLZOCXBDSA-N 0 3 258.365 3.039 20 30 CGEDHN N#CC1(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000418136035 267368054 /nfs/dbraw/zinc/36/80/54/267368054.db2.gz BUYFDXVBSGYECN-GHMZBOCLSA-N 0 3 260.303 3.391 20 30 CGEDHN CC(C)(C)[C@@H]1C[C@H](NCC2(C#N)CCC2)CS1 ZINC000418138177 267372095 /nfs/dbraw/zinc/37/20/95/267372095.db2.gz GBZKKBWSGHRMLZ-RYUDHWBXSA-N 0 3 252.427 3.190 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000376047679 267933470 /nfs/dbraw/zinc/93/34/70/267933470.db2.gz VURWFVQDLDYNPI-LALPHHSUSA-N 0 3 274.339 3.321 20 30 CGEDHN N#Cc1ccccc1OCCNC1(c2ccc(F)cc2)CC1 ZINC000532723720 270218768 /nfs/dbraw/zinc/21/87/68/270218768.db2.gz AOHJELRGQPTGDX-UHFFFAOYSA-N 0 3 296.345 3.355 20 30 CGEDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000271851444 274260880 /nfs/dbraw/zinc/26/08/80/274260880.db2.gz ITGGWWYGFQDFSR-RDTXWAMCSA-N 0 3 280.371 3.333 20 30 CGEDHN C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)N1C ZINC000135265648 274362589 /nfs/dbraw/zinc/36/25/89/274362589.db2.gz ZGPSKFNETSVPEZ-GHMZBOCLSA-N 0 3 297.324 3.106 20 30 CGEDHN Cc1ncsc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334319466 274863643 /nfs/dbraw/zinc/86/36/43/274863643.db2.gz UFQUYXXPANOKEF-OAHLLOKOSA-N 0 3 283.400 3.490 20 30 CGEDHN C=CC1CCN(Cc2c(C)cc(C)nc2OC)CC1 ZINC000347060315 275741982 /nfs/dbraw/zinc/74/19/82/275741982.db2.gz TZAWJRAYALTAEN-UHFFFAOYSA-N 0 3 260.381 3.105 20 30 CGEDHN CCn1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000353947630 276714402 /nfs/dbraw/zinc/71/44/02/276714402.db2.gz NTWRNTSZNRTXLK-SFHVURJKSA-N 0 3 294.402 3.332 20 30 CGEDHN CC[C@H](N[C@@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283514948 288073550 /nfs/dbraw/zinc/07/35/50/288073550.db2.gz ZWCYAAPCJFFVLI-UONOGXRCSA-N 0 3 260.406 3.493 20 30 CGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1c(Cl)cccc1C#N ZINC000343608790 278969945 /nfs/dbraw/zinc/96/99/45/278969945.db2.gz LMPYZFUJHRNYHK-OCCSQVGLSA-N 0 3 289.810 3.275 20 30 CGEDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000290462136 279496501 /nfs/dbraw/zinc/49/65/01/279496501.db2.gz WNYXZAHDFQXPBM-SUNYJGFJSA-N 0 3 280.371 3.331 20 30 CGEDHN CC(C#N)C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000336166265 289235174 /nfs/dbraw/zinc/23/51/74/289235174.db2.gz SGHYZSYDWVQTLF-RDTXWAMCSA-N 0 3 282.387 3.043 20 30 CGEDHN CC[C@H](CC#N)NC[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000185900629 327850348 /nfs/dbraw/zinc/85/03/48/327850348.db2.gz BRCIKDYXZISJMJ-TZMCWYRMSA-N 0 3 278.371 3.295 20 30 CGEDHN C=CC[C@@H](C)N[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000116907754 327872477 /nfs/dbraw/zinc/87/24/77/327872477.db2.gz RFJHGESFSPNPAG-WBVHZDCISA-N 0 3 286.419 3.294 20 30 CGEDHN C=C(C)COCCN[C@@H]1CCCNc2ccccc21 ZINC000193022931 327912190 /nfs/dbraw/zinc/91/21/90/327912190.db2.gz FUWIFYNWHMVKFO-MRXNPFEDSA-N 0 3 260.381 3.116 20 30 CGEDHN CC(C)(C)c1nc(CNCCCCC#N)cs1 ZINC000236766620 328002712 /nfs/dbraw/zinc/00/27/12/328002712.db2.gz JORKRQZFPJOALI-UHFFFAOYSA-N 0 3 251.399 3.224 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](CC)c1ccccc1OC ZINC000320344515 328005674 /nfs/dbraw/zinc/00/56/74/328005674.db2.gz DFMNWNYDAPZQMA-DZGCQCFKSA-N 0 3 263.381 3.063 20 30 CGEDHN N#CCCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000237825442 328010007 /nfs/dbraw/zinc/01/00/07/328010007.db2.gz LFMXILLBNLZILO-UHFFFAOYSA-N 0 3 267.716 3.032 20 30 CGEDHN C=CCC[C@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000320352348 328018432 /nfs/dbraw/zinc/01/84/32/328018432.db2.gz CTHLZZHSLNHVJH-TZMCWYRMSA-N 0 3 259.349 3.411 20 30 CGEDHN C=CCc1cc(CN2C3CCC2CC3)cc(OC)c1O ZINC000534331531 328046286 /nfs/dbraw/zinc/04/62/86/328046286.db2.gz ZTEQQOPERRETQD-UHFFFAOYSA-N 0 3 273.376 3.256 20 30 CGEDHN C=CCCCNCc1cnc(C(F)(F)F)s1 ZINC000336666111 328086211 /nfs/dbraw/zinc/08/62/11/328086211.db2.gz FCOVFFSQVVCZOT-UHFFFAOYSA-N 0 3 250.289 3.218 20 30 CGEDHN C=CCCCCCNCc1c(C)nc2sc(C)nn12 ZINC000571418158 328120657 /nfs/dbraw/zinc/12/06/57/328120657.db2.gz VQFSIRMVJBAZTE-UHFFFAOYSA-N 0 3 278.425 3.244 20 30 CGEDHN COc1ccc(Cl)cc1[C@@H](C)NCCCC#N ZINC000273175085 328204367 /nfs/dbraw/zinc/20/43/67/328204367.db2.gz CSIMUBWFANSILR-SNVBAGLBSA-N 0 3 252.745 3.303 20 30 CGEDHN COc1ccccc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000274209263 328209565 /nfs/dbraw/zinc/20/95/65/328209565.db2.gz NHEPNKSHXNHUPJ-IHRRRGAJSA-N 0 3 258.365 3.428 20 30 CGEDHN N#CCCOCCN(Cc1ccoc1)C1CCCCC1 ZINC000292663864 328273051 /nfs/dbraw/zinc/27/30/51/328273051.db2.gz APNRSOBDDNYTJW-UHFFFAOYSA-N 0 3 276.380 3.345 20 30 CGEDHN CC(C)Oc1ccc([C@@H](C)NCCOCCC#N)cc1 ZINC000293751194 328277578 /nfs/dbraw/zinc/27/75/78/328277578.db2.gz IWVWPUCVXWFUNV-CQSZACIVSA-N 0 3 276.380 3.055 20 30 CGEDHN C[C@H](NCCOCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000294525991 328281429 /nfs/dbraw/zinc/28/14/29/328281429.db2.gz JJSJRUGZDPYLEX-NSHDSACASA-N 0 3 286.297 3.286 20 30 CGEDHN CC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000565049409 322057088 /nfs/dbraw/zinc/05/70/88/322057088.db2.gz PMYYRINEOKRJMJ-KGLIPLIRSA-N 0 3 287.363 3.381 20 30 CGEDHN CN1CC=C(CNc2cccc(C(F)F)c2C#N)CC1 ZINC000565231093 322068476 /nfs/dbraw/zinc/06/84/76/322068476.db2.gz ZNGIGRYOLYJNIA-UHFFFAOYSA-N 0 3 277.318 3.170 20 30 CGEDHN CC[N@H+](Cc1ncccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000565507036 322080275 /nfs/dbraw/zinc/08/02/75/322080275.db2.gz CMVYNEYBPJACSD-CYBMUJFWSA-N 0 3 281.359 3.242 20 30 CGEDHN CC[N@@H+](Cc1ncccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000565507036 322080277 /nfs/dbraw/zinc/08/02/77/322080277.db2.gz CMVYNEYBPJACSD-CYBMUJFWSA-N 0 3 281.359 3.242 20 30 CGEDHN C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)[C@H]2CCCC[C@H]12 ZINC000565750925 322089434 /nfs/dbraw/zinc/08/94/34/322089434.db2.gz LMNRBLFXDIPURL-XYPHTWIQSA-N 0 3 271.408 3.297 20 30 CGEDHN CN(CCNc1cccc(C(F)F)c1C#N)C1CC1 ZINC000566478005 322125442 /nfs/dbraw/zinc/12/54/42/322125442.db2.gz LBJLALMXMDNPSK-UHFFFAOYSA-N 0 3 265.307 3.002 20 30 CGEDHN C[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)CN1C1CC1 ZINC000569635158 322252766 /nfs/dbraw/zinc/25/27/66/322252766.db2.gz QOYIWFNROGJBPJ-GWCFXTLKSA-N 0 3 275.783 3.249 20 30 CGEDHN C[C@H](NCCN1CC[C@@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235641 322268392 /nfs/dbraw/zinc/26/83/92/322268392.db2.gz LJVSWECJLVNXFR-OLZOCXBDSA-N 0 3 291.826 3.204 20 30 CGEDHN C=CCOc1ccc(CNC(C)(C)COCC)cc1 ZINC000339451648 327011861 /nfs/dbraw/zinc/01/18/61/327011861.db2.gz JAEVPDNKLRRJRA-UHFFFAOYSA-N 0 3 263.381 3.156 20 30 CGEDHN C=CCCN1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000558830951 327123552 /nfs/dbraw/zinc/12/35/52/327123552.db2.gz KCIBITNEHFENMM-SFHVURJKSA-N 0 3 287.403 3.203 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](CCC)OC ZINC000381177171 327138652 /nfs/dbraw/zinc/13/86/52/327138652.db2.gz YVBJZDJXEDXBKN-OAHLLOKOSA-N 0 3 263.381 3.156 20 30 CGEDHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000107070929 327247712 /nfs/dbraw/zinc/24/77/12/327247712.db2.gz JXKGFJCWNNXGRW-HUUCEWRRSA-N 0 3 299.418 3.068 20 30 CGEDHN CCC[C@H]1[C@H](C)CCCN1Cc1ccc(C#N)cn1 ZINC000578334744 327317590 /nfs/dbraw/zinc/31/75/90/327317590.db2.gz WUONBJYBYXIUHX-CJNGLKHVSA-N 0 3 257.381 3.354 20 30 CGEDHN CC#CCCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000155196530 327390017 /nfs/dbraw/zinc/39/00/17/327390017.db2.gz GXPZAVAGTNSPFI-GJZGRUSLSA-N 0 3 298.213 3.297 20 30 CGEDHN CCOC1(C)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000399024749 328657845 /nfs/dbraw/zinc/65/78/45/328657845.db2.gz IXOSFYLSYVKGDU-UHFFFAOYSA-N 0 3 272.392 3.144 20 30 CGEDHN CC#CCCCC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000359547017 328898312 /nfs/dbraw/zinc/89/83/12/328898312.db2.gz RFDLPHYTQOGYIZ-HUUCEWRRSA-N 0 3 290.407 3.019 20 30 CGEDHN C[C@H]1CSCCN1Cc1cccc(OCCCC#N)c1 ZINC000179662859 329210874 /nfs/dbraw/zinc/21/08/74/329210874.db2.gz WFANZBWQQNAUBP-AWEZNQCLSA-N 0 3 290.432 3.306 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2csc(C)c2C)CC1 ZINC000180064775 329215158 /nfs/dbraw/zinc/21/51/58/329215158.db2.gz TWGJMKXORJMUNQ-UHFFFAOYSA-N 0 3 292.448 3.135 20 30 CGEDHN COC1(CNCc2cccc(OCCCC#N)c2)CCC1 ZINC000181078256 329225887 /nfs/dbraw/zinc/22/58/87/329225887.db2.gz RQRXCLBBZWQYCL-UHFFFAOYSA-N 0 3 288.391 3.028 20 30 CGEDHN C=CC[C@@H](C)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459402489 329239236 /nfs/dbraw/zinc/23/92/36/329239236.db2.gz AAHWNKKJNRQUQP-SNVBAGLBSA-N 0 3 269.772 3.499 20 30 CGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cnc2ccsc2c1 ZINC000321527393 329370417 /nfs/dbraw/zinc/37/04/17/329370417.db2.gz YDTQFSGIQYIDNI-AAEUAGOBSA-N 0 3 276.405 3.274 20 30 CGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCC[C@@H]1SCC ZINC000189522298 329382856 /nfs/dbraw/zinc/38/28/56/329382856.db2.gz FCVIGDGAHHZOSF-CABCVRRESA-N 0 3 298.496 3.065 20 30 CGEDHN Cc1cccc2c1ncc(C)c2N[C@@H]1CC[C@H](C#N)C1 ZINC000425271671 329653718 /nfs/dbraw/zinc/65/37/18/329653718.db2.gz JCBNHKYIXNHWRB-UONOGXRCSA-N 0 3 265.360 3.378 20 30 CGEDHN C[C@H](NCC(C)(C)CCC#N)c1cn2ccccc2n1 ZINC000572378107 330019448 /nfs/dbraw/zinc/01/94/48/330019448.db2.gz XOMCPKDFEXQULP-ZDUSSCGKSA-N 0 3 270.380 3.315 20 30 CGEDHN CC#CCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000274051487 330103275 /nfs/dbraw/zinc/10/32/75/330103275.db2.gz GLARLBQRICBQMI-UHFFFAOYSA-N 0 3 265.360 3.065 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000424088634 330224450 /nfs/dbraw/zinc/22/44/50/330224450.db2.gz HFOPNNLUGMUCFR-SJORKVTESA-N 0 3 299.418 3.151 20 30 CGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000424093894 330226398 /nfs/dbraw/zinc/22/63/98/330226398.db2.gz SKLXPMVGOFKCRK-IRXDYDNUSA-N 0 3 299.418 3.055 20 30 CGEDHN C=CC[C@H](C)NCc1cc(OCC)c(OC)cc1F ZINC000527661724 330273928 /nfs/dbraw/zinc/27/39/28/330273928.db2.gz NBCPWGAWSLCQCQ-NSHDSACASA-N 0 3 267.344 3.287 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](CC(C)C)C2)nn1 ZINC000424176022 330316193 /nfs/dbraw/zinc/31/61/93/330316193.db2.gz WOFYMXOEJLCDLP-GJZGRUSLSA-N 0 3 276.428 3.159 20 30 CGEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2CCC(C)C)nn1 ZINC000424290952 330334790 /nfs/dbraw/zinc/33/47/90/330334790.db2.gz CUMHXUATEYRERJ-ZBFHGGJFSA-N 0 3 276.428 3.159 20 30 CGEDHN OC[C@@H](NCC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000542912397 330364656 /nfs/dbraw/zinc/36/46/56/330364656.db2.gz YZDJRXQIHFHHLC-QGZVFWFLSA-N 0 3 291.822 3.222 20 30 CGEDHN C=CCC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000089637803 330386840 /nfs/dbraw/zinc/38/68/40/330386840.db2.gz NQCSGUTXUFHWJT-GDBMZVCRSA-N 0 3 295.448 3.107 20 30 CGEDHN C=CCCOCCN[C@@H]1CCCOc2cc(C)ccc21 ZINC000090883835 330396639 /nfs/dbraw/zinc/39/66/39/330396639.db2.gz OMUMIJCEEFQQNL-MRXNPFEDSA-N 0 3 275.392 3.391 20 30 CGEDHN C=CCC(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000429801867 330555170 /nfs/dbraw/zinc/55/51/70/330555170.db2.gz BGQYYBLREYEODW-MRXNPFEDSA-N 0 3 288.435 3.316 20 30 CGEDHN Cc1nc2c(s1)[C@H](NCC1(CC#N)CC1)CCC2 ZINC000430735247 330571756 /nfs/dbraw/zinc/57/17/56/330571756.db2.gz PTULGBPZCFTGIA-LLVKDONJSA-N 0 3 261.394 3.112 20 30 CGEDHN C=CCC[C@@H](O)CN1CCC(F)(c2ccccc2)CC1 ZINC000434496406 330640201 /nfs/dbraw/zinc/64/02/01/330640201.db2.gz IARVOGULNAGXSV-MRXNPFEDSA-N 0 3 277.383 3.274 20 30 CGEDHN CN(C)[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000442645077 330778059 /nfs/dbraw/zinc/77/80/59/330778059.db2.gz IEQAYBJIDFTIDX-DVOMOZLQSA-N 0 3 291.826 3.225 20 30 CGEDHN CCCC(=O)Nc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442704127 330779980 /nfs/dbraw/zinc/77/99/80/330779980.db2.gz BYAGINGBWMQCPR-ZBFHGGJFSA-N 0 3 285.391 3.207 20 30 CGEDHN N#C[C@@H]1CC[C@@H](NCCNc2ncc(Cl)cc2Cl)C1 ZINC000442783907 330782986 /nfs/dbraw/zinc/78/29/86/330782986.db2.gz USBMFXIDFIYISN-MWLCHTKSSA-N 0 3 299.205 3.082 20 30 CGEDHN CC(C)(C)Oc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000442830517 330785710 /nfs/dbraw/zinc/78/57/10/330785710.db2.gz SQCXVZJDHHVJLS-TZMCWYRMSA-N 0 3 273.380 3.041 20 30 CGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC2(C#N)CCC2)C1 ZINC000450895836 331005600 /nfs/dbraw/zinc/00/56/00/331005600.db2.gz LZTQVYNYXDDETC-TWMKSMIVSA-N 0 3 290.451 3.332 20 30 CGEDHN C=CCOCCN1CCC[C@@H]1c1ccc(F)cc1C ZINC000451994333 331049677 /nfs/dbraw/zinc/04/96/77/331049677.db2.gz PZVCFXJMWQNEAW-MRXNPFEDSA-N 0 3 263.356 3.474 20 30 CGEDHN C=C(CN[C@@H]1COc2ccc(OC)cc2C1)c1ccccc1 ZINC000453096376 331088888 /nfs/dbraw/zinc/08/88/88/331088888.db2.gz ZQIHWEFYSYKAIT-KRWDZBQOSA-N 0 3 295.382 3.302 20 30 CGEDHN C=CCC[C@H](NCCc1cnc(C)cn1)c1ccco1 ZINC000453396866 331127925 /nfs/dbraw/zinc/12/79/25/331127925.db2.gz IXQXUWHNFHXXSG-HNNXBMFYSA-N 0 3 271.364 3.218 20 30 CGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000456896347 331208445 /nfs/dbraw/zinc/20/84/45/331208445.db2.gz NSTZDNNCODVKDB-YOEHRIQHSA-N 0 3 284.403 3.454 20 30 CGEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C(C)C)C2)CCCCC1 ZINC000457098845 331212267 /nfs/dbraw/zinc/21/22/67/331212267.db2.gz UQMVKQXGPFZHJC-INIZCTEOSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCC[C@H](CCC)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459682098 331294020 /nfs/dbraw/zinc/29/40/20/331294020.db2.gz SBAFNVPNMIRWPC-LBPRGKRZSA-N 0 3 264.417 3.327 20 30 CGEDHN C=CCC[C@H](CCC)NCc1nnc(C(C)(C)C)[nH]1 ZINC000459682098 331294021 /nfs/dbraw/zinc/29/40/21/331294021.db2.gz SBAFNVPNMIRWPC-LBPRGKRZSA-N 0 3 264.417 3.327 20 30 CGEDHN CC(C)(CC#N)CNCc1cnc(C2CCC2)s1 ZINC000459732647 331296611 /nfs/dbraw/zinc/29/66/11/331296611.db2.gz OVBWVJFWQCYROE-UHFFFAOYSA-N 0 3 263.410 3.440 20 30 CGEDHN C=CC[C@H](C)[C@H](C)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462876902 331333654 /nfs/dbraw/zinc/33/36/54/331333654.db2.gz YDZWDJNEKSURRJ-RLFYNMQTSA-N 0 3 288.435 3.266 20 30 CGEDHN CC#CCN(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000464780613 331367791 /nfs/dbraw/zinc/36/77/91/331367791.db2.gz RNQRZZJPLUDFIJ-GOSISDBHSA-N 0 3 271.404 3.042 20 30 CGEDHN CO[C@@H]1CCCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000483732026 331883355 /nfs/dbraw/zinc/88/33/55/331883355.db2.gz SXWGBBMDNQCCHQ-JKSUJKDBSA-N 0 3 277.795 3.239 20 30 CGEDHN C=CCCCCCN1CCN(c2ccccc2O)CC1 ZINC000486807171 331946083 /nfs/dbraw/zinc/94/60/83/331946083.db2.gz FECFXVDLQNLGJH-UHFFFAOYSA-N 0 3 274.408 3.261 20 30 CGEDHN C=CCCCCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000489035401 332038593 /nfs/dbraw/zinc/03/85/93/332038593.db2.gz DBJFUVNETMIKMM-OLZOCXBDSA-N 0 3 279.346 3.368 20 30 CGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000489406108 332050567 /nfs/dbraw/zinc/05/05/67/332050567.db2.gz RHYZJBMEBBKRCS-DLBZAZTESA-N 0 3 289.419 3.084 20 30 CGEDHN C#C[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1 ZINC000491372395 332199006 /nfs/dbraw/zinc/19/90/06/332199006.db2.gz JBYMGTXWAMHGJR-HOTGVXAUSA-N 0 3 273.351 3.191 20 30 CGEDHN C#C[C@H](N[C@H](C)[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000491386216 332202264 /nfs/dbraw/zinc/20/22/64/332202264.db2.gz UNFKJJJKNODNCT-XPKDYRNWSA-N 0 3 277.795 3.419 20 30 CGEDHN CC(C)C[C@@H](CO)N(C)CC#Cc1ccc(Cl)cc1 ZINC000185332867 333138822 /nfs/dbraw/zinc/13/88/22/333138822.db2.gz BITZTDLLGJZOKT-INIZCTEOSA-N 0 3 279.811 3.030 20 30 CGEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000185521186 333142894 /nfs/dbraw/zinc/14/28/94/333142894.db2.gz FJUJNAFFEYPXOO-HOTGVXAUSA-N 0 3 288.435 3.225 20 30 CGEDHN C=CC[C@@H](C)[C@@H](C)NCc1nc2cc(OC)ccc2n1C ZINC000186535414 333162568 /nfs/dbraw/zinc/16/25/68/333162568.db2.gz HTECCCLBPVIDDG-CHWSQXEVSA-N 0 3 287.407 3.272 20 30 CGEDHN C(#Cc1ccccc1)CN1CCN(CC2CCCCC2)CC1 ZINC000191967932 333227841 /nfs/dbraw/zinc/22/78/41/333227841.db2.gz IKCXPBCJQSAMNM-UHFFFAOYSA-N 0 3 296.458 3.236 20 30 CGEDHN C[C@H](O)CN(CC#Cc1ccccc1)C1CCCCC1 ZINC000191996886 333228245 /nfs/dbraw/zinc/22/82/45/333228245.db2.gz ZGTOOCNETFFOIF-INIZCTEOSA-N 0 3 271.404 3.054 20 30 CGEDHN C[C@@H](Cc1ccc(Cl)cc1)NCC(C)(C)C#N ZINC000231901328 333331863 /nfs/dbraw/zinc/33/18/63/333331863.db2.gz MIRKFRTVQTUTRG-NSHDSACASA-N 0 3 250.773 3.410 20 30 CGEDHN COc1ccc(CC[C@@H](C)NCc2ccc(C#N)o2)cc1 ZINC000174321526 335152611 /nfs/dbraw/zinc/15/26/11/335152611.db2.gz OIWNYGLESKFARN-CYBMUJFWSA-N 0 3 284.359 3.271 20 30 CGEDHN C[C@H](CNCc1cccc(C#N)c1)Oc1ccc(F)cc1 ZINC000174603394 335160286 /nfs/dbraw/zinc/16/02/86/335160286.db2.gz NMOMTVJAEHGRTM-CYBMUJFWSA-N 0 3 284.334 3.254 20 30 CGEDHN CCCCCCCC(=O)NCc1ccc2c(c1)CNC2 ZINC000134529265 334093870 /nfs/dbraw/zinc/09/38/70/334093870.db2.gz QSZQYCLKBPJSNS-UHFFFAOYSA-N 0 3 274.408 3.267 20 30 CGEDHN N#CCCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229156 334120441 /nfs/dbraw/zinc/12/04/41/334120441.db2.gz PTESENJOJPYNMK-UHFFFAOYSA-N 0 3 273.336 3.253 20 30 CGEDHN C=CCC(C)(C)CN[C@H](C)c1cc(OC)ncc1F ZINC000551240378 334242481 /nfs/dbraw/zinc/24/24/81/334242481.db2.gz KYWNXODJQKUJPM-LLVKDONJSA-N 0 3 266.360 3.482 20 30 CGEDHN Clc1cccc(C#CCN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000551423608 334250114 /nfs/dbraw/zinc/25/01/14/334250114.db2.gz NVTGOTACZREBRM-IAGOWNOFSA-N 0 3 289.806 3.335 20 30 CGEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CCCO)c2ccccc2)C1 ZINC000248747904 334315630 /nfs/dbraw/zinc/31/56/30/334315630.db2.gz BKICDQNNIANIJD-DJIMGWMZSA-N 0 3 272.392 3.172 20 30 CGEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000248877852 334320309 /nfs/dbraw/zinc/32/03/09/334320309.db2.gz JWWHNDJOQMGUIT-PMPSAXMXSA-N 0 3 287.407 3.088 20 30 CGEDHN CC(C)CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000554559573 334438429 /nfs/dbraw/zinc/43/84/29/334438429.db2.gz HBVYGEWACWFTNF-UHFFFAOYSA-N 0 3 271.408 3.375 20 30 CGEDHN N#Cc1ccc(CN2CC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000580571503 335285589 /nfs/dbraw/zinc/28/55/89/335285589.db2.gz LZWCHFZIACGUOC-OAHLLOKOSA-N 0 3 299.374 3.479 20 30 CGEDHN C[C@@H](CNCc1cc(C#N)cs1)N(C)Cc1ccccc1 ZINC000177698854 335379753 /nfs/dbraw/zinc/37/97/53/335379753.db2.gz KKXIZAVSIBVMFW-AWEZNQCLSA-N 0 3 299.443 3.230 20 30 CGEDHN C=CCOc1ccccc1CNC[C@@H](OC)[C@@H](C)CC ZINC000381398121 336061317 /nfs/dbraw/zinc/06/13/17/336061317.db2.gz PBOCGCPVVKHHIZ-WMLDXEAASA-N 0 3 277.408 3.402 20 30 CGEDHN N#Cc1cccc(CNC[C@@H]2CCCC2(F)F)c1 ZINC000381510094 336066874 /nfs/dbraw/zinc/06/68/74/336066874.db2.gz KPZUMPWATUGJQJ-ZDUSSCGKSA-N 0 3 250.292 3.083 20 30 CGEDHN C=CC(C)(C)CNCc1nn(CC)c2ccccc12 ZINC000384982326 336135610 /nfs/dbraw/zinc/13/56/10/336135610.db2.gz RAQRFBAATDTPHL-UHFFFAOYSA-N 0 3 257.381 3.358 20 30 CGEDHN CC[C@H](O)CCCN[C@@H](CCC#N)c1ccc(OC)cc1 ZINC000581924057 336168990 /nfs/dbraw/zinc/16/89/90/336168990.db2.gz ROHYUOHLVCWTJO-RDJZCZTQSA-N 0 3 290.407 3.181 20 30 CGEDHN C[C@@H](CNc1ncc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000413142971 534095720 /nfs/dbraw/zinc/09/57/20/534095720.db2.gz LBSVQQFMXZTLBJ-ZDUSSCGKSA-N 0 3 298.365 3.025 20 30 CGEDHN CC(C#N)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000347084230 534284351 /nfs/dbraw/zinc/28/43/51/534284351.db2.gz MNXAJEZORQPUKV-TZMCWYRMSA-N 0 3 284.384 3.308 20 30 CGEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000184272096 519104530 /nfs/dbraw/zinc/10/45/30/519104530.db2.gz DRHFKFWSFCZBGA-AWEZNQCLSA-N 0 3 275.323 3.112 20 30 CGEDHN C=CC[C@H](CO)NCc1cccc(OC2CCCC2)c1 ZINC000184262063 519118303 /nfs/dbraw/zinc/11/83/03/519118303.db2.gz INIRIUITRJWUNJ-OAHLLOKOSA-N 0 3 275.392 3.035 20 30 CGEDHN CCCN(CCc1ccccn1)Cc1ccc(C#N)s1 ZINC000289862930 521672859 /nfs/dbraw/zinc/67/28/59/521672859.db2.gz QSKZJCUVWBADEW-UHFFFAOYSA-N 0 3 285.416 3.469 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C(F)F)cc2)C1 ZINC000354640489 534755129 /nfs/dbraw/zinc/75/51/29/534755129.db2.gz VJGTUFVRSLUZEI-WCQYABFASA-N 0 3 250.292 3.406 20 30 CGEDHN N#Cc1csc(CNCCCNc2ccccc2)c1 ZINC000176852555 534829862 /nfs/dbraw/zinc/82/98/62/534829862.db2.gz CFDWGCANIZLSAV-UHFFFAOYSA-N 0 3 271.389 3.212 20 30 CGEDHN C=C(C)CCN(C)Cc1ccc(Br)o1 ZINC000352102342 526438892 /nfs/dbraw/zinc/43/88/92/526438892.db2.gz MBDAMHVWJNLNKN-UHFFFAOYSA-N 0 3 258.159 3.440 20 30 CGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCC[C@H]1SCC ZINC000348472301 526543460 /nfs/dbraw/zinc/54/34/60/526543460.db2.gz XHKNOFQVKMCWIR-RRFJBIMHSA-N 0 3 298.496 3.063 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)ccc2C)CC1 ZINC000106039576 526598697 /nfs/dbraw/zinc/59/86/97/526598697.db2.gz ZAHPFTKCSAIIQQ-UHFFFAOYSA-N 0 3 286.419 3.074 20 30 CGEDHN C=C(C)CN1CCC(NC(=O)c2coc3ccccc23)CC1 ZINC000113174188 526603055 /nfs/dbraw/zinc/60/30/55/526603055.db2.gz XBXMUVDIQKLUQQ-UHFFFAOYSA-N 0 3 298.386 3.203 20 30 CGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC(C)C)c1cccs1 ZINC000347655936 526627796 /nfs/dbraw/zinc/62/77/96/526627796.db2.gz SVLKIWISEURXRT-OLZOCXBDSA-N 0 3 280.437 3.116 20 30 CGEDHN N#Cc1ccc(Cl)cc1NCCN1CCCCCC1 ZINC000062785377 526635504 /nfs/dbraw/zinc/63/55/04/526635504.db2.gz OZYMYGANJIDRRD-UHFFFAOYSA-N 0 3 277.799 3.500 20 30 CGEDHN CC(C)(CCC#N)CN1CCOC[C@@H]1CC1CCC1 ZINC000354727605 526985449 /nfs/dbraw/zinc/98/54/49/526985449.db2.gz KGSRFIRVOYCUOM-HNNXBMFYSA-N 0 3 264.413 3.207 20 30 CGEDHN C=CCC(C)(C)CNC(=O)c1ccccc1CN(C)C ZINC000352535656 527016252 /nfs/dbraw/zinc/01/62/52/527016252.db2.gz TYQMVMIZTWEXHI-UHFFFAOYSA-N 0 3 274.408 3.080 20 30 CGEDHN C#CCOc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000113320809 527106626 /nfs/dbraw/zinc/10/66/26/527106626.db2.gz GHEFXHSJFDFZSZ-KRWDZBQOSA-N 0 3 281.355 3.459 20 30 CGEDHN C=CCCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418093871 527221844 /nfs/dbraw/zinc/22/18/44/527221844.db2.gz CTNVPQQQBRQFOY-QGZVFWFLSA-N 0 3 297.402 3.105 20 30 CGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](O)CC12CCC2 ZINC000334988306 527499117 /nfs/dbraw/zinc/49/91/17/527499117.db2.gz RGAGBDGRDUGODT-MRXNPFEDSA-N 0 3 298.430 3.367 20 30 CGEDHN CCCN(C(=O)C(C)C#N)[C@@H]1CCc2ccccc21 ZINC000347045593 527777971 /nfs/dbraw/zinc/77/79/71/527777971.db2.gz ZWMFUYCUYJPMMB-IUODEOHRSA-N 0 3 256.349 3.072 20 30 CGEDHN CC(C)O[C@@H]1C[C@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000359000340 528065389 /nfs/dbraw/zinc/06/53/89/528065389.db2.gz HKECMBXYEQOCMN-LSDHHAIUSA-N 0 3 290.382 3.379 20 30 CGEDHN CCN(Cc1cccc(F)c1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000428940010 528812548 /nfs/dbraw/zinc/81/25/48/528812548.db2.gz BKLMEXVAMQAPSX-CQSZACIVSA-N 0 3 290.382 3.477 20 30 CGEDHN C[C@H]1CC(=Nn2cnnc2)C[C@@H](c2ccccc2)C1 ZINC000749849821 571727485 /nfs/dbraw/zinc/72/74/85/571727485.db2.gz GEGPNXMJOBHNMX-OCCSQVGLSA-N 0 3 254.337 3.086 20 30 CGEDHN CCN(C)c1ccccc1CNCc1ccc(C#N)cc1 ZINC000730108167 571949112 /nfs/dbraw/zinc/94/91/12/571949112.db2.gz CNKJDUYMQBOIFN-UHFFFAOYSA-N 0 3 279.387 3.304 20 30 CGEDHN C=CCN1CCC(NC(=O)NC2CCCCCCC2)CC1 ZINC000730111709 571949496 /nfs/dbraw/zinc/94/94/96/571949496.db2.gz KQYKIFINEXZBLO-UHFFFAOYSA-N 0 3 293.455 3.049 20 30 CGEDHN C[C@H]1CCC[C@H](C)N1CCNc1snc(Cl)c1C#N ZINC000730806578 572377178 /nfs/dbraw/zinc/37/71/78/572377178.db2.gz SSMXUNGQPOUDPP-UWVGGRQHSA-N 0 3 298.843 3.343 20 30 CGEDHN C=C(C)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741330809 572492883 /nfs/dbraw/zinc/49/28/83/572492883.db2.gz SGTJKRQTGOVLJF-UHFFFAOYSA-N 0 3 273.376 3.018 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@]2(C)CCOC2)c([O-])c1 ZINC000733080897 572506899 /nfs/dbraw/zinc/50/68/99/572506899.db2.gz FPDNPSGSLRBJLQ-LVSMMTLPSA-N 0 3 290.407 3.084 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccn2C)c([O-])c1 ZINC000743501616 572667769 /nfs/dbraw/zinc/66/77/69/572667769.db2.gz OTRVSEPLANGKCS-PDGQHHTCSA-N 0 3 285.391 3.196 20 30 CGEDHN C=CC[N@@H+](CCC(C)(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419137 572719515 /nfs/dbraw/zinc/71/95/15/572719515.db2.gz PMLSSGSFBUFNDQ-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CC[N@H+](CCC(C)(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419137 572719519 /nfs/dbraw/zinc/71/95/19/572719519.db2.gz PMLSSGSFBUFNDQ-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CC[N@@H+](CCC(C)(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419137 572719523 /nfs/dbraw/zinc/71/95/23/572719523.db2.gz PMLSSGSFBUFNDQ-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN C=CC[N@H+](CCC(C)(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419137 572719525 /nfs/dbraw/zinc/71/95/25/572719525.db2.gz PMLSSGSFBUFNDQ-UHFFFAOYSA-N 0 3 299.422 3.291 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCC(C)(F)F)nc21 ZINC000735792611 572742159 /nfs/dbraw/zinc/74/21/59/572742159.db2.gz NDKUUJNQEOZKGY-JTQLQIEISA-N 0 3 291.301 3.483 20 30 CGEDHN Cc1cccc2nc(C(C#N)C(=O)CCC(C)(F)F)[nH]c21 ZINC000735792611 572742163 /nfs/dbraw/zinc/74/21/63/572742163.db2.gz NDKUUJNQEOZKGY-JTQLQIEISA-N 0 3 291.301 3.483 20 30 CGEDHN CCCCCCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825270794 608461555 /nfs/dbraw/zinc/46/15/55/608461555.db2.gz CZSIGUBBHJPPOA-ZDUSSCGKSA-N 0 3 287.411 3.488 20 30 CGEDHN CCCCCCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825270794 608461558 /nfs/dbraw/zinc/46/15/58/608461558.db2.gz CZSIGUBBHJPPOA-ZDUSSCGKSA-N 0 3 287.411 3.488 20 30 CGEDHN CCCCCCC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825271722 608528944 /nfs/dbraw/zinc/52/89/44/608528944.db2.gz NDISMOUBVWTUBC-UHFFFAOYSA-N 0 3 299.422 3.416 20 30 CGEDHN CCCCCCC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825271722 608528946 /nfs/dbraw/zinc/52/89/46/608528946.db2.gz NDISMOUBVWTUBC-UHFFFAOYSA-N 0 3 299.422 3.416 20 30 CGEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000964809322 613269776 /nfs/dbraw/zinc/26/97/76/613269776.db2.gz WDBNEUSBRPKSQR-UONOGXRCSA-N 0 3 292.448 3.155 20 30 CGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000970913454 613299940 /nfs/dbraw/zinc/29/99/40/613299940.db2.gz PDEBFKQDWLYIAD-CQSZACIVSA-N 0 3 298.430 3.190 20 30 CGEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ccoc1C ZINC000968741691 613307339 /nfs/dbraw/zinc/30/73/39/613307339.db2.gz XHFCOTLONMFOCM-HNNXBMFYSA-N 0 3 290.407 3.139 20 30 CGEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968188891 613325129 /nfs/dbraw/zinc/32/51/29/613325129.db2.gz DVOPCJXDNRFXNC-HZPDHXFCSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C1CC(C)(C(=O)N[C@H]2CN(CC=C(C)C)CC[C@H]2C)C1 ZINC000968276147 613401526 /nfs/dbraw/zinc/40/15/26/613401526.db2.gz VDQYGIDAAUVAJS-CVEARBPZSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCCN1CCCN(C(=O)c2cc(C)sc2C)CC1 ZINC000981570520 613496395 /nfs/dbraw/zinc/49/63/95/613496395.db2.gz UEEUUTWVRYFKDK-UHFFFAOYSA-N 0 3 292.448 3.089 20 30 CGEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC000972432661 613611543 /nfs/dbraw/zinc/61/15/43/613611543.db2.gz BYEUMAZEISIEFS-MRXNPFEDSA-N 0 3 278.440 3.066 20 30 CGEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC000968804450 613683444 /nfs/dbraw/zinc/68/34/44/613683444.db2.gz UWVFADVQLYMDIW-CQSZACIVSA-N 0 3 292.467 3.215 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)sc2C)C[C@@H]1C ZINC000947515641 613750311 /nfs/dbraw/zinc/75/03/11/613750311.db2.gz MPFZEWLORVVBEU-SMDDNHRTSA-N 0 3 292.448 3.134 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000944653097 613752739 /nfs/dbraw/zinc/75/27/39/613752739.db2.gz KQTZAMUUEXKPNB-GHMZBOCLSA-N 0 3 298.839 3.028 20 30 CGEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000941052242 613752782 /nfs/dbraw/zinc/75/27/82/613752782.db2.gz OKBSGLCZUDFXMP-QGZVFWFLSA-N 0 3 298.430 3.346 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940950461 613781431 /nfs/dbraw/zinc/78/14/31/613781431.db2.gz NSKVLMDJFWPURG-HOTGVXAUSA-N 0 3 290.451 3.136 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC001020853609 617801684 /nfs/dbraw/zinc/80/16/84/617801684.db2.gz SQSMUTLFKHGWFU-RZLSGREXSA-N 0 3 298.858 3.048 20 30 CGEDHN C#CCC1(NCc2cc(C3CC3)no2)CCCCC1 ZINC000933265214 618178565 /nfs/dbraw/zinc/17/85/65/618178565.db2.gz CHTBXQDGBIDZMC-UHFFFAOYSA-N 0 3 258.365 3.368 20 30 CGEDHN C#CCC1(NCC(=O)Nc2ccc3ccccc3c2)CCC1 ZINC000933300002 618195777 /nfs/dbraw/zinc/19/57/77/618195777.db2.gz OILRQOYXHFESCC-UHFFFAOYSA-N 0 3 292.382 3.314 20 30 CGEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(C)cc2C)CCC1 ZINC000933300651 618196502 /nfs/dbraw/zinc/19/65/02/618196502.db2.gz BKGKPCUUPLDHFN-OAHLLOKOSA-N 0 3 284.403 3.166 20 30 CGEDHN C#CCC1(NCC(=O)Nc2ccccc2C(C)(C)C)CCC1 ZINC000933303026 618197288 /nfs/dbraw/zinc/19/72/88/618197288.db2.gz GBERBQRSODJSCA-UHFFFAOYSA-N 0 3 298.430 3.458 20 30 CGEDHN Cc1cc(C#N)nc(NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000891493260 618231747 /nfs/dbraw/zinc/23/17/47/618231747.db2.gz NKEQLXSPYJIXMQ-HNNXBMFYSA-N 0 3 296.374 3.104 20 30 CGEDHN N#CCOc1ccc(Cl)cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000934353178 618604357 /nfs/dbraw/zinc/60/43/57/618604357.db2.gz LWCIMIFTLFCSEZ-BETUJISGSA-N 0 3 290.794 3.474 20 30 CGEDHN C=CC[C@H]1CCN1Cc1cnc(-c2ccccc2)o1 ZINC000934461592 618624480 /nfs/dbraw/zinc/62/44/80/618624480.db2.gz YXVCQGIZXDXBRX-AWEZNQCLSA-N 0 3 254.333 3.492 20 30 CGEDHN c1ccc([C@@H]2CC(=NNC3CC3)CCN2C2CC2)cc1 ZINC000841631266 618704757 /nfs/dbraw/zinc/70/47/57/618704757.db2.gz FMALGHZNOAMVSB-KRWDZBQOSA-N 0 3 269.392 3.094 20 30 CGEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2)CC1 ZINC000892494479 618811509 /nfs/dbraw/zinc/81/15/09/618811509.db2.gz FFLOOZNDSGMHOU-OAHLLOKOSA-N 0 3 282.343 3.080 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001006925858 618868472 /nfs/dbraw/zinc/86/84/72/618868472.db2.gz CBYAPVNQYHMTOP-MRXNPFEDSA-N 0 3 276.424 3.034 20 30 CGEDHN C=CCSCCNCc1cnc(CC(F)(F)F)s1 ZINC000892941961 618958440 /nfs/dbraw/zinc/95/84/40/618958440.db2.gz OODXLOGABMQJHR-UHFFFAOYSA-N 0 3 296.383 3.257 20 30 CGEDHN C[C@H](C[C@H](O)c1ccccc1)NCC#Cc1ccccc1 ZINC000893267789 619054726 /nfs/dbraw/zinc/05/47/26/619054726.db2.gz XBTRQMTTZRNFJV-APWZRJJASA-N 0 3 279.383 3.140 20 30 CGEDHN COc1ccc(CNCc2cscc2C)cc1C#N ZINC000094878387 619264757 /nfs/dbraw/zinc/26/47/57/619264757.db2.gz DTXIGZKNYGBLJW-UHFFFAOYSA-N 0 3 272.373 3.227 20 30 CGEDHN C#C[C@@H](NCc1c(C)nn(C(C)C)c1C)C(C)(C)C ZINC000894517137 619560299 /nfs/dbraw/zinc/56/02/99/619560299.db2.gz FMSIZQOSAKATIE-OAHLLOKOSA-N 0 3 261.413 3.218 20 30 CGEDHN C#C[C@H](N[C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccc(F)cc1 ZINC000894575732 619580142 /nfs/dbraw/zinc/58/01/42/619580142.db2.gz VMXGMFQFDBHHOF-IDCNUPLLSA-N 0 3 287.378 3.295 20 30 CGEDHN C#C[C@H](CC)NCc1cn(CC)nc1-c1ccccc1 ZINC000894737711 619617031 /nfs/dbraw/zinc/61/70/31/619617031.db2.gz FEWXMSDCNZMRRG-MRXNPFEDSA-N 0 3 267.376 3.071 20 30 CGEDHN C=CC[C@@H](Cc1ccccc1)NCc1nccn1C1CC1 ZINC000894922993 619684302 /nfs/dbraw/zinc/68/43/02/619684302.db2.gz FABIPWXBVCFXGW-INIZCTEOSA-N 0 3 281.403 3.495 20 30 CGEDHN C#CC[C@@H]1CCN(Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895563263 619850952 /nfs/dbraw/zinc/85/09/52/619850952.db2.gz YIJGJOGYXBVNOF-SNVBAGLBSA-N 0 3 288.338 3.093 20 30 CGEDHN C=C(C)COc1cc(CN2CC[C@H](CF)C2)ccc1OC ZINC000895572404 619851785 /nfs/dbraw/zinc/85/17/85/619851785.db2.gz CWPVTPVETXDOPC-OAHLLOKOSA-N 0 3 293.382 3.442 20 30 CGEDHN CC[C@@H](NCC#Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000895949379 619915586 /nfs/dbraw/zinc/91/55/86/619915586.db2.gz WDLKCAUHDLIYJW-RTBURBONSA-N 0 3 279.383 3.140 20 30 CGEDHN CC(C)(NCC#Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000896019715 619932133 /nfs/dbraw/zinc/93/21/33/619932133.db2.gz MKCOFVFYMXMNSI-SFHVURJKSA-N 0 3 279.383 3.140 20 30 CGEDHN C=C1CCC(CNCc2nnc(C3CC3)s2)CC1 ZINC000896838995 620075267 /nfs/dbraw/zinc/07/52/67/620075267.db2.gz WSMCMGOBDGVXMP-UHFFFAOYSA-N 0 3 263.410 3.252 20 30 CGEDHN C[C@H]1C[C@H](NCc2cccc(F)c2C#N)CCS1 ZINC000896950688 620111780 /nfs/dbraw/zinc/11/17/80/620111780.db2.gz DWFPAHVRGHRZCH-CMPLNLGQSA-N 0 3 264.369 3.071 20 30 CGEDHN Cc1cccc(C[C@@H](C)NCc2nc(C#N)cs2)c1 ZINC000897625583 620412979 /nfs/dbraw/zinc/41/29/79/620412979.db2.gz GOEKZICVLUWUIM-GFCCVEGCSA-N 0 3 271.389 3.044 20 30 CGEDHN C=CCCn1cc(CNC[C@H]2CCC=CCCC2)nn1 ZINC000898032572 620470117 /nfs/dbraw/zinc/47/01/17/620470117.db2.gz UOIXMGJQEZOILG-HNNXBMFYSA-N 0 3 274.412 3.080 20 30 CGEDHN C=C(C)CN1CCCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000989772744 620524054 /nfs/dbraw/zinc/52/40/54/620524054.db2.gz ISOFYEJCBAOCIY-IAGOWNOFSA-N 0 3 292.467 3.313 20 30 CGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001014524250 620539741 /nfs/dbraw/zinc/53/97/41/620539741.db2.gz RLAMPQXDJVKUNO-LLVKDONJSA-N 0 3 298.839 3.172 20 30 CGEDHN CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccccc1N(C)C ZINC000901305867 620852343 /nfs/dbraw/zinc/85/23/43/620852343.db2.gz GJSBLKAIIOOIRH-CHWSQXEVSA-N 0 3 289.423 3.022 20 30 CGEDHN C[C@@H](NCCSc1ccccc1)c1cc(C#N)ccn1 ZINC000902728399 621414195 /nfs/dbraw/zinc/41/41/95/621414195.db2.gz SDNJJBGIKNSOIN-CYBMUJFWSA-N 0 3 283.400 3.396 20 30 CGEDHN CC[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1 ZINC000902762134 621430448 /nfs/dbraw/zinc/43/04/48/621430448.db2.gz GWYCDPMHIILMON-GBESFXJTSA-N 0 3 292.382 3.257 20 30 CGEDHN C[C@H](NC[C@@H]1CCCCC1(F)F)c1cc(C#N)ccn1 ZINC000903003439 621528146 /nfs/dbraw/zinc/52/81/46/621528146.db2.gz UJPSUTTZOUTNEY-AAEUAGOBSA-N 0 3 279.334 3.429 20 30 CGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903012154 621534037 /nfs/dbraw/zinc/53/40/37/621534037.db2.gz NVIWRVJWKOWNLX-PWSUYJOCSA-N 0 3 288.313 3.078 20 30 CGEDHN C[C@@H](N[C@H]1C[C@H](Oc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000903051442 621556752 /nfs/dbraw/zinc/55/67/52/621556752.db2.gz MJNVADCPHNVNJO-FRFSOERESA-N 0 3 293.370 3.214 20 30 CGEDHN CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1nc(C#N)cs1 ZINC000903263519 621648487 /nfs/dbraw/zinc/64/84/87/621648487.db2.gz NOONCLATBYMDHY-NQBHXWOUSA-N 0 3 263.410 3.319 20 30 CGEDHN C[C@@H](N[C@H]1CCOC12CCCCC2)c1cc(C#N)ccn1 ZINC000903268148 621654844 /nfs/dbraw/zinc/65/48/44/621654844.db2.gz LBAMPSWHCJVTIE-CJNGLKHVSA-N 0 3 285.391 3.096 20 30 CGEDHN C[C@@H](N[C@H]1CCOC12CCCC2)c1ccc(C#N)cc1F ZINC000903381690 621724202 /nfs/dbraw/zinc/72/42/02/621724202.db2.gz BRRXGSXXEAODFD-WBMJQRKESA-N 0 3 288.366 3.450 20 30 CGEDHN CCCc1ccc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905083886 622033102 /nfs/dbraw/zinc/03/31/02/622033102.db2.gz HAUHYNRKXCVKHI-SZUMLMDFSA-N 0 3 273.361 3.133 20 30 CGEDHN CC1/C(=C\c2ccc(C(C)(C)C)s2)C(=O)c2ncnn21 ZINC000905085016 622033830 /nfs/dbraw/zinc/03/38/30/622033830.db2.gz LCJGXMSSNBBIQQ-MXFUOJGSSA-N 0 3 287.388 3.478 20 30 CGEDHN CC1/C(=C\c2ccc(C3CCC3)cc2)C(=O)c2ncnn21 ZINC000905085649 622033906 /nfs/dbraw/zinc/03/39/06/622033906.db2.gz OWRBEWRDQJMHSA-ZRRZQRFHSA-N 0 3 279.343 3.387 20 30 CGEDHN c1cc2c(ccnc2N=NC2C[C@H]3CCCN(C2)C3)s1 ZINC000905435547 622075718 /nfs/dbraw/zinc/07/57/18/622075718.db2.gz DFWDWWJCKLKBDD-LLVKDONJSA-N 0 3 286.404 3.180 20 30 CGEDHN CC(C)[C@@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000905462848 622078658 /nfs/dbraw/zinc/07/86/58/622078658.db2.gz WIYFJGRADFUUCS-IAGOWNOFSA-N 0 3 269.392 3.287 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(Br)c1 ZINC000911907409 622569376 /nfs/dbraw/zinc/56/93/76/622569376.db2.gz LWCPWJOQWYKBAT-GFCCVEGCSA-N 0 3 297.196 3.071 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)NC(C)(C)CC(C)(C)C ZINC000911942646 622571712 /nfs/dbraw/zinc/57/17/12/622571712.db2.gz FLTJTDFDYLOQJS-GFCCVEGCSA-N 0 3 254.418 3.001 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000912116214 622601932 /nfs/dbraw/zinc/60/19/32/622601932.db2.gz SUMNMVJGUBHBAQ-JKSUJKDBSA-N 0 3 274.408 3.184 20 30 CGEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000912172945 622615675 /nfs/dbraw/zinc/61/56/75/622615675.db2.gz YLAZFNLIQQSCHO-CVEARBPZSA-N 0 3 272.392 3.034 20 30 CGEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000912292577 622629260 /nfs/dbraw/zinc/62/92/60/622629260.db2.gz FVELFLGPSRZGED-WFASDCNBSA-N 0 3 278.371 3.029 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000164632936 622839801 /nfs/dbraw/zinc/83/98/01/622839801.db2.gz MBOABXFJNBOGNX-STQMWFEESA-N 0 3 257.805 3.456 20 30 CGEDHN C#CCSCCN[C@@H](C)c1ccccc1Cl ZINC000165358095 622860968 /nfs/dbraw/zinc/86/09/68/622860968.db2.gz OUVJHLSNCHHFGW-NSHDSACASA-N 0 3 253.798 3.357 20 30 CGEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cccnc1 ZINC000171562866 623173751 /nfs/dbraw/zinc/17/37/51/623173751.db2.gz OICYMDAHXOJOHX-UONOGXRCSA-N 0 3 281.359 3.223 20 30 CGEDHN C=CCN1CC[C@@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992438953 623562918 /nfs/dbraw/zinc/56/29/18/623562918.db2.gz MQVLUYWMXZJLSQ-SUMDDJOVSA-N 0 3 298.430 3.089 20 30 CGEDHN C=CCN1CC[C@]2(NC(=O)C3CCC=CCC3)CCC[C@H]12 ZINC000992492829 623602690 /nfs/dbraw/zinc/60/26/90/623602690.db2.gz HYECTCIPIUZTQE-FUHWJXTLSA-N 0 3 288.435 3.032 20 30 CGEDHN C=CCCN1CCC[C@@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992982099 623768862 /nfs/dbraw/zinc/76/88/62/623768862.db2.gz MGJUFYUWDLNBEX-ZIAGYGMSSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992988635 623772133 /nfs/dbraw/zinc/77/21/33/623772133.db2.gz DNTGPXAPIFLXST-RDJZCZTQSA-N 0 3 286.419 3.154 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992988633 623774141 /nfs/dbraw/zinc/77/41/41/623774141.db2.gz DNTGPXAPIFLXST-DOTOQJQBSA-N 0 3 286.419 3.154 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993036728 623800449 /nfs/dbraw/zinc/80/04/49/623800449.db2.gz LTYRHVVYXZASRE-RYUDHWBXSA-N 0 3 296.798 3.092 20 30 CGEDHN CC(F)(F)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000920112868 624446968 /nfs/dbraw/zinc/44/69/68/624446968.db2.gz KGKIXSVINYWFSP-SECBINFHSA-N 0 3 278.258 3.439 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCCCO2)c([O-])c1 ZINC000920387281 624489562 /nfs/dbraw/zinc/48/95/62/624489562.db2.gz OLYWMZJOHAKEJC-IQFISFIMSA-N 0 3 290.407 3.226 20 30 CGEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CC(F)(F)C1 ZINC000873498990 634392153 /nfs/dbraw/zinc/39/21/53/634392153.db2.gz IDNDGWFKTTWSTB-VIFPVBQESA-N 0 3 290.269 3.439 20 30 CGEDHN C=CC(C)(C)CNCc1c(Cl)n[nH]c1C1CC1 ZINC000922158746 625974466 /nfs/dbraw/zinc/97/44/66/625974466.db2.gz NCEXCLIJVALFNY-UHFFFAOYSA-N 0 3 253.777 3.242 20 30 CGEDHN CO[C@](C)(CNCc1csc(C#N)c1)c1ccccc1 ZINC000922158706 625974281 /nfs/dbraw/zinc/97/42/81/625974281.db2.gz MEJWDBUYCZOXGG-MRXNPFEDSA-N 0 3 286.400 3.271 20 30 CGEDHN C[C@H]1Cc2cc(CNCc3ccc(CC#N)cc3)ccc2O1 ZINC000922208103 625983673 /nfs/dbraw/zinc/98/36/73/625983673.db2.gz NNHVRJDZBBGACF-AWEZNQCLSA-N 0 3 292.382 3.366 20 30 CGEDHN COc1ccc(CNCc2ccc(CC#N)cc2)c(C)c1 ZINC000922207905 625983793 /nfs/dbraw/zinc/98/37/93/625983793.db2.gz LDUBHJQAFIITQT-UHFFFAOYSA-N 0 3 280.371 3.360 20 30 CGEDHN CO[C@@H](CNCc1csc(C#N)c1)C1CCCCC1 ZINC000922263455 625991670 /nfs/dbraw/zinc/99/16/70/625991670.db2.gz AANIGULKCTVBMJ-HNNXBMFYSA-N 0 3 278.421 3.305 20 30 CGEDHN C#CC[C@H](COC)NCc1cccc(Oc2ccccn2)c1 ZINC000922298878 625994240 /nfs/dbraw/zinc/99/42/40/625994240.db2.gz LWMVCUDVCVCLRK-MRXNPFEDSA-N 0 3 296.370 3.002 20 30 CGEDHN N#Cc1cc(CNC[C@H]2CCC3(CCC3)CO2)cs1 ZINC000922339298 626000303 /nfs/dbraw/zinc/00/03/03/626000303.db2.gz PBEKDHGJKJFTQE-CYBMUJFWSA-N 0 3 276.405 3.059 20 30 CGEDHN N#Cc1cc(CNC[C@@H]2CCCC3(CCC3)O2)cs1 ZINC000922811719 626047969 /nfs/dbraw/zinc/04/79/69/626047969.db2.gz LTZMLTHHLMDAHJ-ZDUSSCGKSA-N 0 3 276.405 3.201 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)oc2C)CC1 ZINC001005102265 626087850 /nfs/dbraw/zinc/08/78/50/626087850.db2.gz HORCYDMKOHVHAM-UHFFFAOYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)c(C)o2)CC1 ZINC001005255691 626089177 /nfs/dbraw/zinc/08/91/77/626089177.db2.gz KIMQAYJZHWBKOC-UHFFFAOYSA-N 0 3 290.407 3.009 20 30 CGEDHN C#Cc1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1 ZINC000923027025 626121832 /nfs/dbraw/zinc/12/18/32/626121832.db2.gz ZMJADNCXHXKIPB-IBGZPJMESA-N 0 3 277.367 3.455 20 30 CGEDHN Cc1c([C@H](C)NCCCC#N)cnn1-c1ccccc1 ZINC000753735089 626463966 /nfs/dbraw/zinc/46/39/66/626463966.db2.gz QQXCSAWGPXLZLG-ZDUSSCGKSA-N 0 3 268.364 3.135 20 30 CGEDHN C[C@H]1CC(N=Nc2cccc3cnccc32)CN1C1CC1 ZINC000753959873 626470048 /nfs/dbraw/zinc/47/00/48/626470048.db2.gz MUQZXWVZUVXNKX-LBPRGKRZSA-N 0 3 280.375 3.259 20 30 CGEDHN CC(C)[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)CS1 ZINC000754143164 626560383 /nfs/dbraw/zinc/56/03/83/626560383.db2.gz ILTIXSZXSYGHAL-UKRRQHHQSA-N 0 3 278.396 3.317 20 30 CGEDHN CCOC(=O)/C=C\CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000756094306 626676464 /nfs/dbraw/zinc/67/64/64/626676464.db2.gz RDCSTTULJFOIMJ-AFNCTOJWSA-N 0 3 286.375 3.060 20 30 CGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCCCO3)nc21 ZINC000756289761 626689686 /nfs/dbraw/zinc/68/96/86/626689686.db2.gz IVDAMDLTVZLDOX-QWHCGFSZSA-N 0 3 297.358 3.007 20 30 CGEDHN C#CCOc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756708716 626727020 /nfs/dbraw/zinc/72/70/20/626727020.db2.gz HMUWZBGVZYKAIW-CYBMUJFWSA-N 0 3 299.345 3.394 20 30 CGEDHN C=C(Cl)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000839686994 626774990 /nfs/dbraw/zinc/77/49/90/626774990.db2.gz YWBQIFKVDCIXAP-UHFFFAOYSA-N 0 3 292.810 3.155 20 30 CGEDHN C#CC[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000757610583 626793516 /nfs/dbraw/zinc/79/35/16/626793516.db2.gz DBRWDMWHMDHGEM-FUHWJXTLSA-N 0 3 298.430 3.132 20 30 CGEDHN C=CC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759047789 626871644 /nfs/dbraw/zinc/87/16/44/626871644.db2.gz ICPWQIRZNZLFHM-OAHLLOKOSA-N 0 3 283.774 3.411 20 30 CGEDHN C=CCCCCCCNC(=O)[C@H]1CCCCN1CC ZINC000805217975 627012029 /nfs/dbraw/zinc/01/20/29/627012029.db2.gz OLLBMJJXKQKTIR-OAHLLOKOSA-N 0 3 266.429 3.114 20 30 CGEDHN C[C@H]1CC(N=Nc2ccnc3cc(Cl)ccc23)CN1C ZINC000761794948 627061701 /nfs/dbraw/zinc/06/17/01/627061701.db2.gz UEEKSCRRLYFGRQ-JTQLQIEISA-N 0 3 288.782 3.380 20 30 CGEDHN C#C[C@H](NCc1ccc(OC(F)F)c(OC)c1)C(C)(C)C ZINC000809781098 627103685 /nfs/dbraw/zinc/10/36/85/627103685.db2.gz HOCDPNHDESUGMM-AWEZNQCLSA-N 0 3 297.345 3.434 20 30 CGEDHN C#CCCCN(Cc1cc(OC)ccc1OC)C1CC1 ZINC000766896738 627368355 /nfs/dbraw/zinc/36/83/55/627368355.db2.gz RVDJWIOAAQNYLA-UHFFFAOYSA-N 0 3 273.376 3.082 20 30 CGEDHN Cc1cc(CN[C@H](CCO)c2cccs2)ccc1C#N ZINC000767691981 627429125 /nfs/dbraw/zinc/42/91/25/627429125.db2.gz QSCFLZHBBIHHKB-OAHLLOKOSA-N 0 3 286.400 3.142 20 30 CGEDHN C#CCOc1ccccc1CN1CCC(OC(C)C)CC1 ZINC000768992870 627514067 /nfs/dbraw/zinc/51/40/67/627514067.db2.gz QMXVYTIXQFLOIX-UHFFFAOYSA-N 0 3 287.403 3.088 20 30 CGEDHN C=CC[C@@H](CO)CNCc1ccc(CSC(F)F)o1 ZINC000774828014 628036086 /nfs/dbraw/zinc/03/60/86/628036086.db2.gz QAPKKMPOYOBBFX-SNVBAGLBSA-N 0 3 291.363 3.010 20 30 CGEDHN C#CC[C@H](NCCC(=O)OCCCC)c1ccccc1 ZINC000775400254 628090886 /nfs/dbraw/zinc/09/08/86/628090886.db2.gz XTSNLHNQOXVXKR-INIZCTEOSA-N 0 3 273.376 3.074 20 30 CGEDHN C#CCN(Cc1ccc(C)nc1C)C1CCCCC1 ZINC000775585591 628111158 /nfs/dbraw/zinc/11/11/58/628111158.db2.gz DKKJTPXSRWGXLS-UHFFFAOYSA-N 0 3 256.393 3.466 20 30 CGEDHN C=CCCCC[C@H](C)NCc1cn(-c2ccccc2)nn1 ZINC000776257544 628186320 /nfs/dbraw/zinc/18/63/20/628186320.db2.gz YFIKUSBRWNFSTJ-HNNXBMFYSA-N 0 3 284.407 3.492 20 30 CGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1C[C@@H]1C ZINC000778155900 628329192 /nfs/dbraw/zinc/32/91/92/628329192.db2.gz LURBEMZOOFOSCM-NWDGAFQWSA-N 0 3 263.768 3.098 20 30 CGEDHN N#CC(C(=O)CCCc1ccsc1)c1ccccn1 ZINC000783349128 628704415 /nfs/dbraw/zinc/70/44/15/628704415.db2.gz JPSHEDDIHCOSRV-CYBMUJFWSA-N 0 3 270.357 3.342 20 30 CGEDHN C#C[C@H](NCCc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000785816707 628889245 /nfs/dbraw/zinc/88/92/45/628889245.db2.gz WJPIVGPVHCQQTN-GJZGRUSLSA-N 0 3 298.213 3.306 20 30 CGEDHN N#CC(C(=O)[C@@H]1CCCOCC1)c1ccc2ccccc2n1 ZINC000786278548 628921796 /nfs/dbraw/zinc/92/17/96/628921796.db2.gz JLFFJIKNMUUWRF-CABCVRRESA-N 0 3 294.354 3.228 20 30 CGEDHN C=C[C@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805923529 629210674 /nfs/dbraw/zinc/21/06/74/629210674.db2.gz JXXJDLMDLCJIPB-HNNXBMFYSA-N 0 3 287.403 3.406 20 30 CGEDHN C=C(C)CN(CCC(=O)C1CC1)Cc1ccccc1 ZINC000791568972 629289870 /nfs/dbraw/zinc/28/98/70/629289870.db2.gz QUOJYTWMEHLQKD-UHFFFAOYSA-N 0 3 257.377 3.434 20 30 CGEDHN C=CC[C@@H](NCc1cnccc1C)c1ccncc1 ZINC000792987876 629400242 /nfs/dbraw/zinc/40/02/42/629400242.db2.gz SJOPYDMHZUDLMK-MRXNPFEDSA-N 0 3 253.349 3.192 20 30 CGEDHN C#CCOc1ccccc1CNCC1(C(F)(F)F)CC1 ZINC000796487540 629789365 /nfs/dbraw/zinc/78/93/65/629789365.db2.gz AUSGLXVPZLILDT-UHFFFAOYSA-N 0 3 283.293 3.131 20 30 CGEDHN CC(C)O[C@@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000796747368 629824559 /nfs/dbraw/zinc/82/45/59/629824559.db2.gz NJMZOUWZFLQUAC-CRAIPNDOSA-N 0 3 294.354 3.424 20 30 CGEDHN CCC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)COC1 ZINC000797572732 629961997 /nfs/dbraw/zinc/96/19/97/629961997.db2.gz HFOHBBGHERBJRH-SNVBAGLBSA-N 0 3 292.404 3.043 20 30 CGEDHN C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)c2c1c(F)ccc2[O-] ZINC000797586926 629964023 /nfs/dbraw/zinc/96/40/23/629964023.db2.gz NNZYEDHHUDFCRO-CMPLNLGQSA-N 0 3 274.339 3.363 20 30 CGEDHN C[C@@H](C#N)OCCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000801909929 630364446 /nfs/dbraw/zinc/36/44/46/630364446.db2.gz IMVOOOWHULBYEZ-NSHDSACASA-N 0 3 286.297 3.066 20 30 CGEDHN C[C@H](C#N)OCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000801920277 630366564 /nfs/dbraw/zinc/36/65/64/630366564.db2.gz OQWJNAYACSAPOQ-CQSZACIVSA-N 0 3 288.391 3.065 20 30 CGEDHN C[C@H](C#N)OCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000801920277 630366568 /nfs/dbraw/zinc/36/65/68/630366568.db2.gz OQWJNAYACSAPOQ-CQSZACIVSA-N 0 3 288.391 3.065 20 30 CGEDHN Cc1cc(C)cc(C2=CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000801939533 630371495 /nfs/dbraw/zinc/37/14/95/630371495.db2.gz FQPRDVVGEPMBEZ-MRXNPFEDSA-N 0 3 284.403 3.321 20 30 CGEDHN C[C@H](C#N)OCCNC(C)(C)c1cccc(Cl)c1F ZINC000801942387 630372013 /nfs/dbraw/zinc/37/20/13/630372013.db2.gz QKLUMKHWHTUGKW-SNVBAGLBSA-N 0 3 284.762 3.232 20 30 CGEDHN C#Cc1ccc(CNCc2ccc3c(c2)OCCCO3)cc1 ZINC000809613992 630761996 /nfs/dbraw/zinc/76/19/96/630761996.db2.gz FHIGEZHNRLECMB-UHFFFAOYSA-N 0 3 293.366 3.119 20 30 CGEDHN C#Cc1ccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000809639458 630772012 /nfs/dbraw/zinc/77/20/12/630772012.db2.gz VFZFELDXWJGNNT-LJQANCHMSA-N 0 3 295.357 3.460 20 30 CGEDHN C#Cc1ccc(CNC(C)(C)c2ccc(C)nc2)cc1 ZINC000809640027 630772094 /nfs/dbraw/zinc/77/20/94/630772094.db2.gz SGZFRCCXTVIBAA-UHFFFAOYSA-N 0 3 264.372 3.396 20 30 CGEDHN C#C[C@@H](CC)NCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000809686357 630782710 /nfs/dbraw/zinc/78/27/10/630782710.db2.gz NQSLWSWZZQOPTI-HNNXBMFYSA-N 0 3 293.370 3.335 20 30 CGEDHN C#C[C@H](CC)NCc1ccc(OCCC)c(OCC)c1 ZINC000809686574 630783059 /nfs/dbraw/zinc/78/30/59/630783059.db2.gz ZNYDRFDANDWCSP-OAHLLOKOSA-N 0 3 275.392 3.376 20 30 CGEDHN C#C[C@H](NCc1cnc(Cl)c(C)c1)C(C)(C)C ZINC000809781042 630804975 /nfs/dbraw/zinc/80/49/75/630804975.db2.gz FNJXHFITAPJQAE-LBPRGKRZSA-N 0 3 250.773 3.181 20 30 CGEDHN C#C[C@@H](NCc1ccc(OCC=C)c(OC)c1)C(C)(C)C ZINC000809780985 630805343 /nfs/dbraw/zinc/80/53/43/630805343.db2.gz DGXHVNXFJZTUON-QGZVFWFLSA-N 0 3 287.403 3.398 20 30 CGEDHN C#CCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000810534790 630886335 /nfs/dbraw/zinc/88/63/35/630886335.db2.gz ATOOFPQPFRSBCE-LLVKDONJSA-N 0 3 266.300 3.054 20 30 CGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000811512757 631079860 /nfs/dbraw/zinc/07/98/60/631079860.db2.gz RUAHQOIMYBHTCV-STQMWFEESA-N 0 3 294.345 3.455 20 30 CGEDHN CCC(=NNC[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000811658424 631101304 /nfs/dbraw/zinc/10/13/04/631101304.db2.gz GCAPGIDXPWFXBS-CYBMUJFWSA-N 0 3 291.464 3.209 20 30 CGEDHN CC(C)OCCON=Cc1ccccc1N1CCCCC1 ZINC000812239044 631229530 /nfs/dbraw/zinc/22/95/30/631229530.db2.gz LNTHLTJFKSTTRB-UHFFFAOYSA-N 0 3 290.407 3.452 20 30 CGEDHN N#CC(C(=O)C=CC1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813218495 631389764 /nfs/dbraw/zinc/38/97/64/631389764.db2.gz WPTHZFYORQUYTB-PGLGOXFNSA-N 0 3 280.249 3.243 20 30 CGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000876554602 634855958 /nfs/dbraw/zinc/85/59/58/634855958.db2.gz PHKHYYWSKYTGPE-OAHLLOKOSA-N 0 3 294.826 3.238 20 30 CGEDHN C=CCCCCC[C@@H](C)N[C@@H]1CNCCC1(F)F ZINC000817982166 632272043 /nfs/dbraw/zinc/27/20/43/632272043.db2.gz YTJIUAZLWLRXOJ-CHWSQXEVSA-N 0 3 260.372 3.098 20 30 CGEDHN C=CCOCCN[C@H](C)c1ccc(OC)cc1Cl ZINC000818337896 632310002 /nfs/dbraw/zinc/31/00/02/632310002.db2.gz PNCWMRNSYRHIEM-LLVKDONJSA-N 0 3 269.772 3.202 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000818346865 632311672 /nfs/dbraw/zinc/31/16/72/632311672.db2.gz JBKOEILLFSHCTR-LXZKKBNFSA-N 0 3 275.392 3.332 20 30 CGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000818347297 632312179 /nfs/dbraw/zinc/31/21/79/632312179.db2.gz PUSQQWYRZBNUJT-UHXUCMFUSA-N 0 3 291.366 3.260 20 30 CGEDHN COc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)cc1 ZINC000866237482 633039376 /nfs/dbraw/zinc/03/93/76/633039376.db2.gz KCBCPDBMLXIAQN-GOSISDBHSA-N 0 3 278.355 3.344 20 30 CGEDHN C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccccc1[O-] ZINC000866617930 633217164 /nfs/dbraw/zinc/21/71/64/633217164.db2.gz RKSUGYUTPWPYRR-BLLLJJGKSA-N 0 3 278.355 3.082 20 30 CGEDHN Cc1cc(CNCc2ccc(N(C)CCC#N)cc2)ccn1 ZINC000824597573 633263580 /nfs/dbraw/zinc/26/35/80/633263580.db2.gz VKKFTUXZTFMQMS-UHFFFAOYSA-N 0 3 294.402 3.030 20 30 CGEDHN C#CCCOc1ccc(CNCc2cnccc2C)cc1 ZINC000824910437 633304114 /nfs/dbraw/zinc/30/41/14/633304114.db2.gz XTMAFOYDLHQWDH-UHFFFAOYSA-N 0 3 280.371 3.082 20 30 CGEDHN C[C@H](C#N)OCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830764934 633886268 /nfs/dbraw/zinc/88/62/68/633886268.db2.gz NGLQCFVBRGIFCF-WBVHZDCISA-N 0 3 282.387 3.308 20 30 CGEDHN CS[C@H]1CC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000873063296 634239967 /nfs/dbraw/zinc/23/99/67/634239967.db2.gz PEMDLTJLQRLDDK-NEPJUHHUSA-N 0 3 264.369 3.071 20 30 CGEDHN C[C@]1(CCNCc2cccc(F)c2C#N)C[C@@]1(F)Cl ZINC000873134807 634254721 /nfs/dbraw/zinc/25/47/21/634254721.db2.gz VAZBDDMCEITUAP-KBPBESRZSA-N 0 3 284.737 3.492 20 30 CGEDHN C=CCC[C@@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000834902528 634279226 /nfs/dbraw/zinc/27/92/26/634279226.db2.gz CKCOIIYJJXSUJN-DZGCQCFKSA-N 0 3 263.381 3.068 20 30 CGEDHN Nc1ccc2c(c1)CCCC2=NNC1CCCCC1 ZINC000834971652 634298880 /nfs/dbraw/zinc/29/88/80/634298880.db2.gz GLUVSJPWYTYWAW-UHFFFAOYSA-N 0 3 257.381 3.232 20 30 CGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000876616223 634868722 /nfs/dbraw/zinc/86/87/22/634868722.db2.gz JTEXAWDOKKIWID-AWEZNQCLSA-N 0 3 294.826 3.417 20 30 CGEDHN C#CCCCCCCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000876736784 634888188 /nfs/dbraw/zinc/88/81/88/634888188.db2.gz NBIAMPOKHCKKTF-SFHVURJKSA-N 0 3 299.462 3.344 20 30 CGEDHN C[C@@H](CCc1ccco1)NCc1cc(C#N)cnc1Cl ZINC000876884979 634920399 /nfs/dbraw/zinc/92/03/99/634920399.db2.gz MVMJPPNSBGUEPJ-NSHDSACASA-N 0 3 289.766 3.311 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](OC)C2CC2)c([O-])c1 ZINC000840707096 635038138 /nfs/dbraw/zinc/03/81/38/635038138.db2.gz SDSYGMKPKHPRNB-SZLZGVTBSA-N 0 3 290.407 3.082 20 30 CGEDHN CC(F)(F)CCCNCc1cc(C#N)cnc1Cl ZINC000877557042 635089153 /nfs/dbraw/zinc/08/91/53/635089153.db2.gz DYOBBNGLFWMNQK-UHFFFAOYSA-N 0 3 273.714 3.132 20 30 CGEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)CC(F)(F)F ZINC000877590492 635104112 /nfs/dbraw/zinc/10/41/12/635104112.db2.gz ZYVPSHCNDNGIKW-QMMMGPOBSA-N 0 3 291.704 3.285 20 30 CGEDHN C=CCCC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877640711 635127709 /nfs/dbraw/zinc/12/77/09/635127709.db2.gz DXQWFPNCOQOLCG-UHFFFAOYSA-N 0 3 263.772 3.441 20 30 CGEDHN C=CC[C@H](C)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000877960232 635288768 /nfs/dbraw/zinc/28/87/68/635288768.db2.gz IVXBKITWOQYIDP-AWEZNQCLSA-N 0 3 267.376 3.195 20 30 CGEDHN C=CCN(Cc1ccccc1F)C[C@H]1C[C@@H](OC)C1 ZINC000877987892 635307321 /nfs/dbraw/zinc/30/73/21/635307321.db2.gz WCBFDOYLLSNHLT-OTVXOJSOSA-N 0 3 263.356 3.239 20 30 CGEDHN N#Cc1ccc(CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C2CC2)cc1 ZINC000878002251 635315746 /nfs/dbraw/zinc/31/57/46/635315746.db2.gz RTHADHQJWXVRTE-YTQUADARSA-N 0 3 296.414 3.480 20 30 CGEDHN CCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CCC1 ZINC000878115756 635364340 /nfs/dbraw/zinc/36/43/40/635364340.db2.gz GWEOHKBLQLGEDH-GOSISDBHSA-N 0 3 284.403 3.301 20 30 CGEDHN C#CC1CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000843426889 635671111 /nfs/dbraw/zinc/67/11/11/635671111.db2.gz MWOBTYCOINEJLT-UHFFFAOYSA-N 0 3 262.422 3.187 20 30 CGEDHN N#CCc1cccc2c1CCN(C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000879064296 635693684 /nfs/dbraw/zinc/69/36/84/635693684.db2.gz BHSVRAJSCXAAGQ-IEZWGBDMSA-N 0 3 296.414 3.068 20 30 CGEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102830 635914208 /nfs/dbraw/zinc/91/42/08/635914208.db2.gz FKIQZFNNILXKET-ZJUUUORDSA-N 0 3 271.286 3.443 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2nccs2)C1 ZINC000880319184 635973827 /nfs/dbraw/zinc/97/38/27/635973827.db2.gz CCVWXNQHZJZMKR-CQSZACIVSA-N 0 3 299.399 3.013 20 30 CGEDHN C=CCC(C)(C)c1noc([C@H]2CC[C@H](C3CC3)N2)n1 ZINC000844919688 635984383 /nfs/dbraw/zinc/98/43/83/635984383.db2.gz MYFHWLOGBGLVGH-VXGBXAGGSA-N 0 3 261.369 3.126 20 30 CGEDHN Clc1ccc(N=NC2CCCN3CCCC[C@H]23)cn1 ZINC000848406962 636568652 /nfs/dbraw/zinc/56/86/52/636568652.db2.gz SWLYELHQPLFKLL-CYBMUJFWSA-N 0 3 278.787 3.151 20 30 CGEDHN C=CCC[C@H](Cc1ccccc1)N[C@@H](C)c1nncn1C ZINC000883185170 636570641 /nfs/dbraw/zinc/57/06/41/636570641.db2.gz PWKZKDOFUYZGSH-GOEBONIOSA-N 0 3 284.407 3.043 20 30 CGEDHN C#C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000848492910 636581190 /nfs/dbraw/zinc/58/11/90/636581190.db2.gz HPXAAQAMJIHBIY-AWEZNQCLSA-N 0 3 295.382 3.399 20 30 CGEDHN C#C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000848492910 636581192 /nfs/dbraw/zinc/58/11/92/636581192.db2.gz HPXAAQAMJIHBIY-AWEZNQCLSA-N 0 3 295.382 3.399 20 30 CGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2COC(C)(C)C2)c([O-])c1 ZINC000849171010 636763624 /nfs/dbraw/zinc/76/36/24/636763624.db2.gz PWBBOIBOLWGZIB-BGARDKSCSA-N 0 3 290.407 3.225 20 30 CGEDHN C#CCOc1ccc([C@H](C)NCc2scnc2C)cc1 ZINC000132389345 636806068 /nfs/dbraw/zinc/80/60/68/636806068.db2.gz TYDLCIZNYUGZTJ-LBPRGKRZSA-N 0 3 286.400 3.314 20 30 CGEDHN C=CCCC(C)(C)NCc1ncc(C2OCCO2)s1 ZINC000850416803 637054189 /nfs/dbraw/zinc/05/41/89/637054189.db2.gz DPXNLIKBJXDIMS-UHFFFAOYSA-N 0 3 282.409 3.023 20 30 CGEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OCC(F)F)C1 ZINC000886149491 637436511 /nfs/dbraw/zinc/43/65/11/637436511.db2.gz PNIUIORGLSOAEP-WCQYABFASA-N 0 3 280.318 3.112 20 30 CGEDHN C#CC[C@H]1CCN(Cc2ncc(-c3ccccc3C)o2)C1 ZINC000886357289 637511601 /nfs/dbraw/zinc/51/16/01/637511601.db2.gz DWIIZAIABIYFAC-HNNXBMFYSA-N 0 3 280.371 3.495 20 30 CGEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000886355715 637511841 /nfs/dbraw/zinc/51/18/41/637511841.db2.gz MPQHXXMUOSWZSM-HOTGVXAUSA-N 0 3 298.430 3.482 20 30 CGEDHN C#CCC1(NCc2ccc([C@@H]3C[C@@H]3C)o2)CCOCC1 ZINC000886381527 637521625 /nfs/dbraw/zinc/52/16/25/637521625.db2.gz HGVGQSLXMWVIRL-DZGCQCFKSA-N 0 3 273.376 3.065 20 30 CGEDHN C[C@@]1(CN2CCC[C@H](CC#N)C2)CC1(Cl)Cl ZINC000852319736 637633609 /nfs/dbraw/zinc/63/36/09/637633609.db2.gz RFBCXIUSHYSINE-MNOVXSKESA-N 0 3 261.196 3.196 20 30 CGEDHN COCCN(CCCC#N)Cc1ccc(C)c(C)c1 ZINC000887108638 637752584 /nfs/dbraw/zinc/75/25/84/637752584.db2.gz PHRRLKGKBABEMU-UHFFFAOYSA-N 0 3 260.381 3.056 20 30 CGEDHN C=CCCOCCN[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000222448324 637797689 /nfs/dbraw/zinc/79/76/89/637797689.db2.gz RFAIBDGCVLWVCB-OAHLLOKOSA-N 0 3 285.391 3.116 20 30 CGEDHN C#C[C@@H](NCc1cccc(C(F)(F)F)c1)C(C)C ZINC000302422494 637899987 /nfs/dbraw/zinc/89/99/87/637899987.db2.gz UJZOIDQLSLSBAZ-CYBMUJFWSA-N 0 3 255.283 3.453 20 30 CGEDHN C=CCC[C@@H](N[C@@H](C)c1cnnn1C)c1ccccc1 ZINC000925578679 638535534 /nfs/dbraw/zinc/53/55/34/638535534.db2.gz HMILFEULMDWONL-DZGCQCFKSA-N 0 3 270.380 3.173 20 30 CGEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000925699469 638571370 /nfs/dbraw/zinc/57/13/70/638571370.db2.gz WKFCFTOWDZCHIB-APWZRJJASA-N 0 3 296.414 3.254 20 30 CGEDHN C=CC(C)(C)CC[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000858206884 638657235 /nfs/dbraw/zinc/65/72/35/638657235.db2.gz VJTCSYQORYLBKQ-UHFFFAOYSA-N 0 3 263.381 3.483 20 30 CGEDHN C#CC[C@H](COC)NCc1cccc(OC2CCCC2)c1 ZINC000858335776 638685112 /nfs/dbraw/zinc/68/51/12/638685112.db2.gz GUFSOQXQOCBAGQ-MRXNPFEDSA-N 0 3 287.403 3.136 20 30 CGEDHN COCC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccco1 ZINC000926113779 638710161 /nfs/dbraw/zinc/71/01/61/638710161.db2.gz AQNGBBHKSJYBCH-OLZOCXBDSA-N 0 3 264.369 3.275 20 30 CGEDHN CC(C)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000927071750 638838342 /nfs/dbraw/zinc/83/83/42/638838342.db2.gz UKYGARLSLJMYMB-GUYCJALGSA-N 0 3 282.391 3.340 20 30 CGEDHN C[C@@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(C#N)cc1 ZINC000927139315 638846703 /nfs/dbraw/zinc/84/67/03/638846703.db2.gz KYIGAPXWLWLOEU-ZNOIYHFQSA-N 0 3 292.382 3.257 20 30 CGEDHN CN(CCSc1ccncc1)Cc1ccc(C#N)cc1 ZINC000929162658 638904111 /nfs/dbraw/zinc/90/41/11/638904111.db2.gz QJQRDTIUERJKAU-UHFFFAOYSA-N 0 3 283.400 3.177 20 30 CGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929164911 638904141 /nfs/dbraw/zinc/90/41/41/638904141.db2.gz PECIUWYISZTVKU-UONOGXRCSA-N 0 3 298.308 3.100 20 30 CGEDHN C=CCN(Cc1cccs1)C(=O)[C@H]1CCCN1C(C)C ZINC000929696752 638942410 /nfs/dbraw/zinc/94/24/10/638942410.db2.gz OLSQDEQSEUMJBE-OAHLLOKOSA-N 0 3 292.448 3.136 20 30 CGEDHN CN(Cc1nc2ccccc2n1C)CC1CCC(C#N)CC1 ZINC000930017985 638968918 /nfs/dbraw/zinc/96/89/18/638968918.db2.gz XSDLBDTVDYHZAD-UHFFFAOYSA-N 0 3 296.418 3.335 20 30 CGEDHN CC(C)[C@H](C#N)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC000930114279 638975382 /nfs/dbraw/zinc/97/53/82/638975382.db2.gz HPBSWBVJLDXWOH-KRWDZBQOSA-N 0 3 289.467 3.123 20 30 CGEDHN CCCCC[C@@H](NC[C@H](O)CC#N)c1ccccc1 ZINC000930213215 638983384 /nfs/dbraw/zinc/98/33/84/638983384.db2.gz MOGYYFMRTKBMSI-HZPDHXFCSA-N 0 3 260.381 3.172 20 30 CGEDHN N#CC[C@@H](O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000930233067 638984977 /nfs/dbraw/zinc/98/49/77/638984977.db2.gz PCTYMOZUZVBXJO-HZPDHXFCSA-N 0 3 292.810 3.435 20 30 CGEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)C[C@H](C2CC2)O1 ZINC000930271287 638987335 /nfs/dbraw/zinc/98/73/35/638987335.db2.gz VUAQITBRFJCKSR-GOEBONIOSA-N 0 3 276.424 3.350 20 30 CGEDHN C#CCCN(CCOC)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931070672 639107283 /nfs/dbraw/zinc/10/72/83/639107283.db2.gz HYGKKXAZLVHLKB-HZPDHXFCSA-N 0 3 293.357 3.007 20 30 CGEDHN C=CCN1CCC(NC(=O)CCCCCCSC)CC1 ZINC000859250484 639118703 /nfs/dbraw/zinc/11/87/03/639118703.db2.gz KOGUGGUONBMRRG-UHFFFAOYSA-N 0 3 298.496 3.067 20 30 CGEDHN C[C@@H](NCCCC#N)c1cc(Cl)cc2c1OCC2 ZINC000933269589 639434795 /nfs/dbraw/zinc/43/47/95/639434795.db2.gz IRGIEWSFKWMZCP-SNVBAGLBSA-N 0 3 264.756 3.229 20 30 CGEDHN CN(CC[C@@H]1CCCCO1)Cc1cc(C#N)cs1 ZINC000933771722 639487534 /nfs/dbraw/zinc/48/75/34/639487534.db2.gz UHLGZUOGDXJMDH-ZDUSSCGKSA-N 0 3 264.394 3.011 20 30 CGEDHN CN(CC[C@H]1CCCCO1)Cc1cc(C#N)cs1 ZINC000933771720 639487887 /nfs/dbraw/zinc/48/78/87/639487887.db2.gz UHLGZUOGDXJMDH-CYBMUJFWSA-N 0 3 264.394 3.011 20 30 CGEDHN CN(CCCC(C)(C)C#N)Cc1cc(C#N)cs1 ZINC000933777113 639488821 /nfs/dbraw/zinc/48/88/21/639488821.db2.gz FJOWUVCQCJZFSS-UHFFFAOYSA-N 0 3 261.394 3.382 20 30 CGEDHN COc1ccc([C@H]2CCCN2CCC(C)(C)C#N)nc1 ZINC000934343754 639591382 /nfs/dbraw/zinc/59/13/82/639591382.db2.gz ONAQWZCSMINUEU-OAHLLOKOSA-N 0 3 273.380 3.167 20 30 CGEDHN N#Cc1ccc(CN[C@@H](c2ccncc2)C2CC2)s1 ZINC000934700738 639660714 /nfs/dbraw/zinc/66/07/14/639660714.db2.gz WNNUDIJUFBFVSM-OAHLLOKOSA-N 0 3 269.373 3.256 20 30 CGEDHN N#CC(C(=O)CC1CCCC1)c1nc2ccccc2[nH]1 ZINC000048520493 640055941 /nfs/dbraw/zinc/05/59/41/640055941.db2.gz KDPJYPARGVBFSW-LBPRGKRZSA-N 0 3 267.332 3.319 20 30 CGEDHN COc1cc(CN(C)Cc2ccc(C#N)cc2)c(O)cc1C ZINC000159771996 640068187 /nfs/dbraw/zinc/06/81/87/640068187.db2.gz NFVIBTWFOGNMLV-UHFFFAOYSA-N 0 3 296.370 3.213 20 30 CGEDHN CCCCCCC[C@@H](C)NCc1cc(C(N)=O)co1 ZINC000190010085 640218770 /nfs/dbraw/zinc/21/87/70/640218770.db2.gz YFIJEGXJEHBOKP-GFCCVEGCSA-N 0 3 266.385 3.217 20 30 CGEDHN C=CCN(CC=C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000077313992 640230701 /nfs/dbraw/zinc/23/07/01/640230701.db2.gz SOWSLTKHZVWYPI-UHFFFAOYSA-N 0 3 299.370 3.154 20 30 CGEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001007281420 640855014 /nfs/dbraw/zinc/85/50/14/640855014.db2.gz RMMRTWCRBKRTDG-GFCCVEGCSA-N 0 3 296.411 3.048 20 30 CGEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001009448203 640959203 /nfs/dbraw/zinc/95/92/03/640959203.db2.gz KFKPASPJZOOWHJ-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015139446 640978250 /nfs/dbraw/zinc/97/82/50/640978250.db2.gz HNHZUEOYBKNBDG-CYBMUJFWSA-N 0 3 292.448 3.081 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001015760146 640985764 /nfs/dbraw/zinc/98/57/64/640985764.db2.gz LGRNQPSWHBQGBC-INIZCTEOSA-N 0 3 278.440 3.114 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)CCCCC ZINC001155653706 805599857 /nfs/dbraw/zinc/59/98/57/805599857.db2.gz BYLMVQZKYNKWHJ-JKSUJKDBSA-N 0 3 280.456 3.053 20 30 CGEDHN C#CC1CCN(Cc2cccc(OC)c2OCC2CC2)CC1 ZINC001250527999 805676900 /nfs/dbraw/zinc/67/69/00/805676900.db2.gz OOBDOXSWUMUONR-UHFFFAOYSA-N 0 3 299.414 3.329 20 30 CGEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)CCCCC ZINC001157041615 805768134 /nfs/dbraw/zinc/76/81/34/805768134.db2.gz PXJIPEALJNYKFL-CVEARBPZSA-N 0 3 280.456 3.053 20 30 CGEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(C)CCC(C)CC1 ZINC001157203218 805789427 /nfs/dbraw/zinc/78/94/27/805789427.db2.gz CBCNQRPVIFLMRH-UPTPFMHGSA-N 0 3 292.467 3.053 20 30 CGEDHN CCCCCCCC[C@H](O)CN1CCC(C#N)CC1 ZINC001252121484 806007486 /nfs/dbraw/zinc/00/74/86/806007486.db2.gz GQYHGIKGLCCYIB-INIZCTEOSA-N 0 3 266.429 3.333 20 30 CGEDHN CCCCCCCC[C@@H](O)CNC(=N)c1ccc(F)cn1 ZINC001252133643 806019515 /nfs/dbraw/zinc/01/95/15/806019515.db2.gz KMHWMYRKWBYXJV-CQSZACIVSA-N 0 3 295.402 3.038 20 30 CGEDHN CCCCCCCC[C@@H](O)CNCc1cccc(F)n1 ZINC001252134427 806020172 /nfs/dbraw/zinc/02/01/72/806020172.db2.gz RFOLVMVYSYMVAL-OAHLLOKOSA-N 0 3 282.403 3.422 20 30 CGEDHN C=CCOC[C@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC001252465462 806048304 /nfs/dbraw/zinc/04/83/04/806048304.db2.gz GXTVJXVFHWJGKN-CZUORRHYSA-N 0 3 295.810 3.040 20 30 CGEDHN C=C[C@](C)(O)CN[C@H](C)c1cccc(F)c1Cl ZINC001252584809 806075354 /nfs/dbraw/zinc/07/53/54/806075354.db2.gz GDWLRICFPUDIGC-RNCFNFMXSA-N 0 3 257.736 3.067 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)CC2=CCCCC2)CC1 ZINC001159569646 806124060 /nfs/dbraw/zinc/12/40/60/806124060.db2.gz KWWSIRIIFZYHSP-UHFFFAOYSA-N 0 3 288.435 3.201 20 30 CGEDHN CCCCCCCCCC[C@H](O)CNC1(C)COC1 ZINC001252982444 806145786 /nfs/dbraw/zinc/14/57/86/806145786.db2.gz DVVODHXCBABNBL-HNNXBMFYSA-N 0 3 271.445 3.257 20 30 CGEDHN C=CCCCCCC[C@@H](O)CNCc1c(C)noc1C ZINC001253249036 806195380 /nfs/dbraw/zinc/19/53/80/806195380.db2.gz GKLWGTAFDCYQRJ-OAHLLOKOSA-N 0 3 280.412 3.269 20 30 CGEDHN C=C[C@@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC001253564724 806259954 /nfs/dbraw/zinc/25/99/54/806259954.db2.gz HUYSVCUGTQXFOM-PSASIEDQSA-N 0 3 260.164 3.191 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@@](C)(F)CCCC)CC1 ZINC001160529336 806282345 /nfs/dbraw/zinc/28/23/45/806282345.db2.gz HIVXBSJGIOFISJ-KRWDZBQOSA-N 0 3 296.430 3.229 20 30 CGEDHN C#CCN(Cc1ccc(OC)c(OCC(=C)C)c1)CC1CC1 ZINC001254039896 806333112 /nfs/dbraw/zinc/33/31/12/806333112.db2.gz JFSPNGMGXOBYEA-UHFFFAOYSA-N 0 3 299.414 3.495 20 30 CGEDHN C=CCN1CC=C(CCNC(=O)[C@H](CCC)C(C)C)CC1 ZINC001161356094 806368883 /nfs/dbraw/zinc/36/88/83/806368883.db2.gz AHFCZUYEZBPSJY-QGZVFWFLSA-N 0 3 292.467 3.383 20 30 CGEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CCO)c2cccc(Cl)c2)C1 ZINC001254644312 806469816 /nfs/dbraw/zinc/46/98/16/806469816.db2.gz RHHHSECZJYHKTK-DFBGVHRSSA-N 0 3 278.783 3.045 20 30 CGEDHN COc1ccccc1C(C)(C)N[C@H]1CC[C@@H](C#N)C1 ZINC001254649762 806472649 /nfs/dbraw/zinc/47/26/49/806472649.db2.gz QOUGXLGTQQVDAQ-OLZOCXBDSA-N 0 3 258.365 3.212 20 30 CGEDHN CS[C@H]1CC[C@@H](N(C)Cc2ccccc2C#N)C1 ZINC000075920841 798924395 /nfs/dbraw/zinc/92/43/95/798924395.db2.gz FCHNSAWYSOSSAM-CABCVRRESA-N 0 3 260.406 3.274 20 30 CGEDHN C=C(C)c1ccc(N[C@@H]2CNCc3ccsc32)nc1 ZINC001163221549 806726637 /nfs/dbraw/zinc/72/66/37/806726637.db2.gz VSKSBNPVBNWEIB-CYBMUJFWSA-N 0 3 271.389 3.433 20 30 CGEDHN C/C(=N\O)c1ccc(N[C@@H]2CNCc3ccsc32)cc1 ZINC001163236071 806732010 /nfs/dbraw/zinc/73/20/10/806732010.db2.gz DVCYDRXGVIWXKW-YFEUJDIGSA-N 0 3 287.388 3.203 20 30 CGEDHN C=CCN(Cc1ccc(C(=O)OC)c(F)c1)C(C)C ZINC000383631331 799406183 /nfs/dbraw/zinc/40/61/83/799406183.db2.gz KKEYTOZIXLVKHZ-UHFFFAOYSA-N 0 3 265.328 3.009 20 30 CGEDHN C=C(Br)CN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000389265657 799461156 /nfs/dbraw/zinc/46/11/56/799461156.db2.gz IFUIKYRXEYUCIB-NXEZZACHSA-N 0 3 278.259 3.405 20 30 CGEDHN FC1(F)CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC000390916789 799475657 /nfs/dbraw/zinc/47/56/57/799475657.db2.gz BQXNSHKIKXZFDN-OAHLLOKOSA-N 0 3 263.331 3.453 20 30 CGEDHN C=CCCSCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000696114698 799838041 /nfs/dbraw/zinc/83/80/41/799838041.db2.gz FZYYWPDRJRTHMC-CYBMUJFWSA-N 0 3 263.406 3.278 20 30 CGEDHN CCCCCCCNCc1c(C)nn(C)c1Cl ZINC000703733437 799928827 /nfs/dbraw/zinc/92/88/27/799928827.db2.gz KPHWCXHZYHTZMF-UHFFFAOYSA-N 0 3 257.809 3.442 20 30 CGEDHN N#Cc1cncc(CN2CCC3(C2)CCCCC3)c1 ZINC000721543198 800292529 /nfs/dbraw/zinc/29/25/29/800292529.db2.gz DLQUZGMDQDXCGC-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN C[C@]12CSC[C@H]1CN(Cc1ccc(C#N)cc1Cl)C2 ZINC000934766541 800680363 /nfs/dbraw/zinc/68/03/63/800680363.db2.gz IAGZUJAJKOJPPQ-HIFRSBDPSA-N 0 3 292.835 3.397 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001023146163 800705629 /nfs/dbraw/zinc/70/56/29/800705629.db2.gz LJGVPQMCOXYBQZ-TXEJJXNPSA-N 0 3 296.798 3.006 20 30 CGEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cscc1C ZINC001024376787 800725840 /nfs/dbraw/zinc/72/58/40/800725840.db2.gz AOLUQXDXDPQQHM-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=Cc1ccc(C(=O)NC[C@@H]2CCCCN2CC(=C)C)cc1 ZINC001024669047 800733711 /nfs/dbraw/zinc/73/37/11/800733711.db2.gz BANOLFKNYLOPOT-SFHVURJKSA-N 0 3 298.430 3.490 20 30 CGEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214794 800750179 /nfs/dbraw/zinc/75/01/79/800750179.db2.gz FJPVZGPTIKMBNH-HUUCEWRRSA-N 0 3 294.414 3.281 20 30 CGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001028262635 800838607 /nfs/dbraw/zinc/83/86/07/800838607.db2.gz YZXMOEFGLKOYKP-CQSZACIVSA-N 0 3 290.407 3.002 20 30 CGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCCC1 ZINC001032725414 800933819 /nfs/dbraw/zinc/93/38/19/800933819.db2.gz SYFNKPJKQFAQCI-XIRDDKMYSA-N 0 3 290.451 3.064 20 30 CGEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033734939 800979887 /nfs/dbraw/zinc/97/98/87/800979887.db2.gz UUZFTPDYZGLVIY-AWEZNQCLSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033806870 800983620 /nfs/dbraw/zinc/98/36/20/800983620.db2.gz JGSHSVFGDHWETK-QGZVFWFLSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033873506 800987066 /nfs/dbraw/zinc/98/70/66/800987066.db2.gz PKZXWAGGJKKYOA-HOTGVXAUSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034020452 800994939 /nfs/dbraw/zinc/99/49/39/800994939.db2.gz KBDUYBVZPSNNAP-ULQDDVLXSA-N 0 3 292.467 3.312 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001034164414 801009838 /nfs/dbraw/zinc/00/98/38/801009838.db2.gz QYYJPJZJBHSUFX-CQSZACIVSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001034222368 801013417 /nfs/dbraw/zinc/01/34/17/801013417.db2.gz CLKHAIYLTMQPGV-IAGOWNOFSA-N 0 3 290.451 3.280 20 30 CGEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034332211 801016114 /nfs/dbraw/zinc/01/61/14/801016114.db2.gz VKDRZVRDUJJJEB-INIZCTEOSA-N 0 3 290.451 3.114 20 30 CGEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001034445473 801026129 /nfs/dbraw/zinc/02/61/29/801026129.db2.gz TYFSQXOGJOIYDW-OAHLLOKOSA-N 0 3 292.448 3.217 20 30 CGEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001034497838 801029753 /nfs/dbraw/zinc/02/97/53/801029753.db2.gz HERYAJMEOFYJOX-OAHLLOKOSA-N 0 3 292.810 3.110 20 30 CGEDHN C=CCCN1CCCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001034549501 801033806 /nfs/dbraw/zinc/03/38/06/801033806.db2.gz ADIDEEHNIAESSX-GFCCVEGCSA-N 0 3 296.411 3.048 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1csc(C)c1C ZINC001038289411 801122300 /nfs/dbraw/zinc/12/23/00/801122300.db2.gz ZZOZKVQLEJQNIJ-AWEZNQCLSA-N 0 3 292.448 3.135 20 30 CGEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038668449 801130846 /nfs/dbraw/zinc/13/08/46/801130846.db2.gz JVTIBKWIODMYTN-CQSZACIVSA-N 0 3 292.810 3.029 20 30 CGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CCC)CC2)C1 ZINC001039095349 801147410 /nfs/dbraw/zinc/14/74/10/801147410.db2.gz DEADKQULLQYJNJ-OAHLLOKOSA-N 0 3 298.858 3.100 20 30 CGEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001039823230 801166794 /nfs/dbraw/zinc/16/67/94/801166794.db2.gz OVALHNZWXVWCHK-IYBDPMFKSA-N 0 3 292.467 3.310 20 30 CGEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CCCCCC3)C[C@H]21 ZINC001041974184 801198147 /nfs/dbraw/zinc/19/81/47/801198147.db2.gz ZPCSRQOKNZHLEI-NVXWUHKLSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCN1CCC(C)(NC(=O)C2=CCCCCC2)CC1 ZINC001045418164 801273968 /nfs/dbraw/zinc/27/39/68/801273968.db2.gz MOOLZNBIWGMROM-UHFFFAOYSA-N 0 3 276.424 3.034 20 30 CGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788392 801323595 /nfs/dbraw/zinc/32/35/95/801323595.db2.gz CHUDJOYJAVYDDP-JFIYKMOQSA-N 0 3 292.467 3.360 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)c2cscc2C)CC[C@H]1C ZINC001071399481 801534236 /nfs/dbraw/zinc/53/42/36/801534236.db2.gz UHNFIDIRKUPYRF-KGLIPLIRSA-N 0 3 292.448 3.215 20 30 CGEDHN C=C(C)CN1C[C@@H](NC(=O)C2CC3(CCC3)C2)CC[C@@H]1C ZINC001071740953 801548297 /nfs/dbraw/zinc/54/82/97/801548297.db2.gz CBUKVJDRSJJGTH-HOCLYGCPSA-N 0 3 290.451 3.112 20 30 CGEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072112653 801564289 /nfs/dbraw/zinc/56/42/89/801564289.db2.gz DEWCFFNIXKCZPG-RYUDHWBXSA-N 0 3 296.411 3.046 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001084164378 801665313 /nfs/dbraw/zinc/66/53/13/801665313.db2.gz CYUREYVDJNHYDX-IAGOWNOFSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCCCC1 ZINC001085119198 801676696 /nfs/dbraw/zinc/67/66/96/801676696.db2.gz JLTJOJGZEDKNQP-HUUCEWRRSA-N 0 3 298.858 3.336 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C)CCCC1 ZINC001085288850 801680648 /nfs/dbraw/zinc/68/06/48/801680648.db2.gz CUBPUDRZAGNCNF-ZIAGYGMSSA-N 0 3 298.858 3.336 20 30 CGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001085303810 801681618 /nfs/dbraw/zinc/68/16/18/801681618.db2.gz ZOSBDTHBUWKEBZ-BFHYXJOUSA-N 0 3 298.858 3.192 20 30 CGEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cscc1C ZINC001085535827 801690295 /nfs/dbraw/zinc/69/02/95/801690295.db2.gz QCKUDKYULZGXTL-CQSZACIVSA-N 0 3 292.448 3.169 20 30 CGEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085579900 801696460 /nfs/dbraw/zinc/69/64/60/801696460.db2.gz ZJYFQGINQACSCA-HNNXBMFYSA-N 0 3 290.407 3.009 20 30 CGEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085706035 801700550 /nfs/dbraw/zinc/70/05/50/801700550.db2.gz FCHOUHZUWOQVJG-CQSZACIVSA-N 0 3 292.448 3.087 20 30 CGEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085953774 801714375 /nfs/dbraw/zinc/71/43/75/801714375.db2.gz KBPIPCRIACFRGX-INIZCTEOSA-N 0 3 286.419 3.026 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001086469603 801728018 /nfs/dbraw/zinc/72/80/18/801728018.db2.gz PQHUYNPCPVWLAY-TUVASFSCSA-N 0 3 298.858 3.050 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1CC ZINC001087541708 801755195 /nfs/dbraw/zinc/75/51/95/801755195.db2.gz CAZVZHPWYINFQF-LSDHHAIUSA-N 0 3 290.407 3.055 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccsc2)[C@H]1CC ZINC001087721791 801765966 /nfs/dbraw/zinc/76/59/66/801765966.db2.gz FTPWLMGZVCURAJ-VHDGCEQUSA-N 0 3 292.448 3.007 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1CC ZINC001087818262 801767619 /nfs/dbraw/zinc/76/76/19/801767619.db2.gz IVAPOABIFFXEDB-DLBZAZTESA-N 0 3 286.419 3.072 20 30 CGEDHN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1CC ZINC001087806977 801769400 /nfs/dbraw/zinc/76/94/00/801769400.db2.gz JTCGBRQOLKRNJH-LSDHHAIUSA-N 0 3 292.810 3.109 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC001088876285 801811470 /nfs/dbraw/zinc/81/14/70/801811470.db2.gz GSGYYBUEAWAHNA-CVEARBPZSA-N 0 3 286.419 3.072 20 30 CGEDHN COc1cccc2c1CC[C@@H](NC1(CC#N)CCCC1)C2 ZINC001256644082 806937634 /nfs/dbraw/zinc/93/76/34/806937634.db2.gz SOCAXVBLXFXBKJ-OAHLLOKOSA-N 0 3 284.403 3.369 20 30 CGEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089065780 801818407 /nfs/dbraw/zinc/81/84/07/801818407.db2.gz BIWDYQSJEAAZAV-OAGGEKHMSA-N 0 3 292.467 3.358 20 30 CGEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089696215 801850678 /nfs/dbraw/zinc/85/06/78/801850678.db2.gz UXXGFLXOCVRAKI-OWCLPIDISA-N 0 3 292.467 3.215 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC1(C)C)C2 ZINC001097667062 801901215 /nfs/dbraw/zinc/90/12/15/801901215.db2.gz MZKNYYPUKLWYQU-FPCVCCKLSA-N 0 3 290.451 3.110 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC(C)C ZINC001098895645 801920974 /nfs/dbraw/zinc/92/09/74/801920974.db2.gz VZWFUCOSEOVGAA-OAHLLOKOSA-N 0 3 280.456 3.215 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001098939755 801922025 /nfs/dbraw/zinc/92/20/25/801922025.db2.gz SVCIARDQAJLVDJ-SYCZXOQXSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001099213336 801934032 /nfs/dbraw/zinc/93/40/32/801934032.db2.gz CEGXEXSZZSUNBK-QAPCUYQASA-N 0 3 292.467 3.382 20 30 CGEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102262987 802004790 /nfs/dbraw/zinc/00/47/90/802004790.db2.gz RHRJVZXJADVXJY-YVSHFGMPSA-N 0 3 298.858 3.025 20 30 CGEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001109046433 802106813 /nfs/dbraw/zinc/10/68/13/802106813.db2.gz PLVNFMLICSIHPW-SQNIBIBYSA-N 0 3 298.430 3.183 20 30 CGEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(F)CCCC)C2 ZINC001109467199 802116818 /nfs/dbraw/zinc/11/68/18/802116818.db2.gz NVMKXVIUYCJZOV-AESZEHBQSA-N 0 3 296.430 3.202 20 30 CGEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC(C)C)C2 ZINC001111248469 802158510 /nfs/dbraw/zinc/15/85/10/802158510.db2.gz BFYMNLFCCAOFIV-HZMVEIRTSA-N 0 3 292.467 3.356 20 30 CGEDHN C=CCC[C@H](C)N1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001113209661 802204288 /nfs/dbraw/zinc/20/42/88/802204288.db2.gz NGMJGKZJFHBPOM-INIZCTEOSA-N 0 3 278.440 3.232 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001113199572 802205415 /nfs/dbraw/zinc/20/54/15/802205415.db2.gz ASVYTOCYKUYFGX-IAGOWNOFSA-N 0 3 290.451 3.232 20 30 CGEDHN CCN(CCCCC1(C#N)CCC1)C[C@H](O)C(F)(F)F ZINC001119825313 802701882 /nfs/dbraw/zinc/70/18/82/802701882.db2.gz OIOULYXFTVZEQF-LBPRGKRZSA-N 0 3 292.345 3.096 20 30 CGEDHN N#C[C@H]1CC[C@H](OC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001122647191 802878687 /nfs/dbraw/zinc/87/86/87/802878687.db2.gz LHZLTGJVRWCUHX-YOEHRIQHSA-N 0 3 298.386 3.131 20 30 CGEDHN Cc1ccc(C(=O)C(C#N)c2cccc(F)n2)c(C2CC2)n1 ZINC001122730031 802883618 /nfs/dbraw/zinc/88/36/18/802883618.db2.gz KSUUYNVMWAVSIK-ZDUSSCGKSA-N 0 3 295.317 3.292 20 30 CGEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132219072 803380049 /nfs/dbraw/zinc/38/00/49/803380049.db2.gz ZNQRNNNSKMOXGO-LSDHHAIUSA-N 0 3 278.440 3.134 20 30 CGEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC001132241089 803384950 /nfs/dbraw/zinc/38/49/50/803384950.db2.gz QOGBZOFFXMKSHY-GJZGRUSLSA-N 0 3 292.467 3.051 20 30 CGEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001132332849 803396761 /nfs/dbraw/zinc/39/67/61/803396761.db2.gz XKBJYHNBJOGYJV-CABCVRRESA-N 0 3 278.440 3.134 20 30 CGEDHN Cc1ccc2c(CN3CCC(C#N)CC3)c[nH]c2c1 ZINC001136967674 803663987 /nfs/dbraw/zinc/66/39/87/803663987.db2.gz MXZMDAXSJADXJW-UHFFFAOYSA-N 0 3 253.349 3.212 20 30 CGEDHN CN(Cc1c[nH]c2ncccc12)Cc1ccc(C#N)cc1 ZINC001137401798 803728834 /nfs/dbraw/zinc/72/88/34/803728834.db2.gz HWVZSHHCPQRGEC-UHFFFAOYSA-N 0 3 276.343 3.067 20 30 CGEDHN C#CCOc1ccc(CN2CCCC[C@@](C)(F)C2)cc1 ZINC001138556420 803966690 /nfs/dbraw/zinc/96/66/90/803966690.db2.gz UUYGVCJJWMNHNK-QGZVFWFLSA-N 0 3 275.367 3.413 20 30 CGEDHN C=CCc1cccc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)c1[O-] ZINC001138625443 803983736 /nfs/dbraw/zinc/98/37/36/803983736.db2.gz LCMFSSPSWXVZEY-SFHVURJKSA-N 0 3 289.419 3.104 20 30 CGEDHN C=CCc1cccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c1[O-] ZINC001138625443 803983740 /nfs/dbraw/zinc/98/37/40/803983740.db2.gz LCMFSSPSWXVZEY-SFHVURJKSA-N 0 3 289.419 3.104 20 30 CGEDHN C=C(C)COc1ccccc1CN1CC2CC(C2)C1 ZINC001138666025 803999043 /nfs/dbraw/zinc/99/90/43/803999043.db2.gz FVCSWYSMEFSAEN-UHFFFAOYSA-N 0 3 257.377 3.483 20 30 CGEDHN C=CCN(Cc1cn2ccncc2n1)C1CCCCC1 ZINC001139700652 804258129 /nfs/dbraw/zinc/25/81/29/804258129.db2.gz SDMDYTDQHWJQGN-UHFFFAOYSA-N 0 3 270.380 3.050 20 30 CGEDHN CCN(Cc1c[nH]c2c1cccc2C#N)Cc1ccccn1 ZINC001139705954 804260944 /nfs/dbraw/zinc/26/09/44/804260944.db2.gz HOCYRPJVBMLRKF-UHFFFAOYSA-N 0 3 290.370 3.457 20 30 CGEDHN C=CCCCCCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC001140296143 804408402 /nfs/dbraw/zinc/40/84/02/804408402.db2.gz WLARLIXMFPOINQ-MRXNPFEDSA-N 0 3 278.440 3.256 20 30 CGEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OCC3CC3)c2)C1 ZINC001140490911 804447576 /nfs/dbraw/zinc/44/75/76/804447576.db2.gz INJOUGQSVKDVFB-OAHLLOKOSA-N 0 3 299.414 3.329 20 30 CGEDHN C[C@H]1CN(Cc2cccc(C#N)c2Cl)CCC[C@]1(C)O ZINC001140808179 804522884 /nfs/dbraw/zinc/52/28/84/804522884.db2.gz LOFRSLXGSZZMMO-LRDDRELGSA-N 0 3 292.810 3.195 20 30 CGEDHN N#CC1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074916 804585153 /nfs/dbraw/zinc/58/51/53/804585153.db2.gz WSTXMVKQCUWPSS-UHFFFAOYSA-N 0 3 295.430 3.121 20 30 CGEDHN CC(C)N(CCCCCO)Cc1ccc(F)cc1C#N ZINC001141167575 804603515 /nfs/dbraw/zinc/60/35/15/804603515.db2.gz PVSASZPCQPSDBU-UHFFFAOYSA-N 0 3 278.371 3.070 20 30 CGEDHN CN(Cc1c[nH]c2cc(C#N)ccc12)Cc1cccc(O)c1 ZINC001142911953 804783831 /nfs/dbraw/zinc/78/38/31/804783831.db2.gz PODNCXGDEVNGEK-UHFFFAOYSA-N 0 3 291.354 3.377 20 30 CGEDHN Cc1cc(F)cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001143590129 804871714 /nfs/dbraw/zinc/87/17/14/804871714.db2.gz PCEJWRTUTPWDPO-DVSIDAKKSA-N 0 3 258.340 3.401 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001248748369 804982742 /nfs/dbraw/zinc/98/27/42/804982742.db2.gz HKGONWSMJSLDPZ-WMZOPIPTSA-N 0 3 284.403 3.122 20 30 CGEDHN N#CCC1CCN(Cc2ccc3scnc3c2)CC1 ZINC001144738843 805046908 /nfs/dbraw/zinc/04/69/08/805046908.db2.gz IJTVEOYMPPPOJW-UHFFFAOYSA-N 0 3 271.389 3.422 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001166545377 807053213 /nfs/dbraw/zinc/05/32/13/807053213.db2.gz LYRUAJTZIPULCQ-UHFFFAOYSA-N 0 3 298.858 3.217 20 30 CGEDHN N#Cc1cccc(CN2CC3CCC(CC3)C2)c1F ZINC001249691150 805213485 /nfs/dbraw/zinc/21/34/85/805213485.db2.gz DOSSLAMPAXIIJK-UHFFFAOYSA-N 0 3 258.340 3.319 20 30 CGEDHN CCN1CCCC[C@@H]1c1ccc(NC2(C#N)CCC2)nc1 ZINC001154921379 805510312 /nfs/dbraw/zinc/51/03/12/805510312.db2.gz YSUODAQEGSGQTB-OAHLLOKOSA-N 0 3 284.407 3.487 20 30 CGEDHN C=C1CCN(CCC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC001167329902 807182260 /nfs/dbraw/zinc/18/22/60/807182260.db2.gz OJGUXTWXMFNUBE-UHFFFAOYSA-N 0 3 276.355 3.115 20 30 CGEDHN C=C1C[C@@H]2CC(NCc3ncccc3F)C[C@H](C1)C2 ZINC001257886379 807237480 /nfs/dbraw/zinc/23/74/80/807237480.db2.gz BNRVJPDFHBOPJU-PBWFPOADSA-N 0 3 260.356 3.445 20 30 CGEDHN CCCCCCC[C@H](C)N1CCN(c2cnccn2)CC1 ZINC001258044527 807273272 /nfs/dbraw/zinc/27/32/72/807273272.db2.gz PUDODSGLPWNALZ-INIZCTEOSA-N 0 3 290.455 3.348 20 30 CGEDHN N#CC1(CNC2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258538473 807489920 /nfs/dbraw/zinc/48/99/20/807489920.db2.gz VUINZHUPVLFFPC-UHFFFAOYSA-N 0 3 289.810 3.202 20 30 CGEDHN C[C@H]1C[C@H](NCC#CC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC001168828231 807521408 /nfs/dbraw/zinc/52/14/08/807521408.db2.gz FPGMQASCVXTAMR-KBPBESRZSA-N 0 3 294.439 3.023 20 30 CGEDHN C#CCN(C)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258682427 807541452 /nfs/dbraw/zinc/54/14/52/807541452.db2.gz MLBWQISUIOEMTP-SNVBAGLBSA-N 0 3 256.176 3.489 20 30 CGEDHN CC(C)C[C@H](Cc1ccccc1)N1CC[C@@H](C#N)C1 ZINC001169084212 807569360 /nfs/dbraw/zinc/56/93/60/807569360.db2.gz HUHPCKKHJCAIQZ-DLBZAZTESA-N 0 3 256.393 3.489 20 30 CGEDHN CC(C)C[C@H](Cc1ccccc1)N1CC[C@H](C#N)C1 ZINC001169084214 807569982 /nfs/dbraw/zinc/56/99/82/807569982.db2.gz HUHPCKKHJCAIQZ-IAGOWNOFSA-N 0 3 256.393 3.489 20 30 CGEDHN C=CCC[C@H](C)NCC(=O)c1cc(F)cc(F)c1 ZINC001258725325 807573819 /nfs/dbraw/zinc/57/38/19/807573819.db2.gz IXEBWJVOEQZVCT-JTQLQIEISA-N 0 3 253.292 3.092 20 30 CGEDHN C=CCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001258725140 807573878 /nfs/dbraw/zinc/57/38/78/807573878.db2.gz IFRXDZCDAGRXGE-ZIAGYGMSSA-N 0 3 282.428 3.282 20 30 CGEDHN C=CCC[C@H](C)N1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001258728939 807576791 /nfs/dbraw/zinc/57/67/91/807576791.db2.gz RJOAXUGXSVLZGF-ZNMIVQPWSA-N 0 3 294.439 3.425 20 30 CGEDHN CN(Cc1cc2ccccc2[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC001261237208 807718028 /nfs/dbraw/zinc/71/80/28/807718028.db2.gz KVMDOJDZDGEUSF-IUODEOHRSA-N 0 3 253.349 3.292 20 30 CGEDHN C[C@H](N)c1ncc(-c2ccccc2)n1C#C[Si](C)(C)C ZINC001170680972 807874581 /nfs/dbraw/zinc/87/45/81/807874581.db2.gz KMCISXNBIIIJMR-ZDUSSCGKSA-N 0 3 283.451 3.256 20 30 CGEDHN C=C(C)CCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001262604837 807874752 /nfs/dbraw/zinc/87/47/52/807874752.db2.gz FFABJAPARSUFTK-MRXNPFEDSA-N 0 3 274.408 3.070 20 30 CGEDHN N#CCCC[C@@H](N)C(=O)N1CCCCC12CCCCCC2 ZINC001263305095 807945939 /nfs/dbraw/zinc/94/59/39/807945939.db2.gz QOTWCOXGWIVNJE-OAHLLOKOSA-N 0 3 291.439 3.113 20 30 CGEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001263817381 808008081 /nfs/dbraw/zinc/00/80/81/808008081.db2.gz UQEGOURIIMLFJJ-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001265412119 808141088 /nfs/dbraw/zinc/14/10/88/808141088.db2.gz YWVSKDPNNGFAEQ-DMRKSPOLSA-N 0 3 290.451 3.062 20 30 CGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001265503110 808149427 /nfs/dbraw/zinc/14/94/27/808149427.db2.gz JDOVIPPEYCHOCB-UBHSHLNASA-N 0 3 286.847 3.048 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)NCC(=O)c1ccc(F)cc1 ZINC001172291804 808216756 /nfs/dbraw/zinc/21/67/56/808216756.db2.gz AEFSMYAIJFCGPP-CYBMUJFWSA-N 0 3 296.345 3.101 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H](C)c1cscn1 ZINC001172292301 808217134 /nfs/dbraw/zinc/21/71/34/808217134.db2.gz FLZVBWAIKVUVEV-NEPJUHHUSA-N 0 3 271.389 3.297 20 30 CGEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](C)c1cscn1 ZINC001172294073 808217890 /nfs/dbraw/zinc/21/78/90/808217890.db2.gz FLZVBWAIKVUVEV-VXGBXAGGSA-N 0 3 271.389 3.297 20 30 CGEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2ncsc2C1 ZINC001172320110 808229048 /nfs/dbraw/zinc/22/90/48/808229048.db2.gz TWWCRONLYDEVPB-LBPRGKRZSA-N 0 3 283.400 3.004 20 30 CGEDHN C#CCCCC(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2)C1 ZINC001266215326 808229097 /nfs/dbraw/zinc/22/90/97/808229097.db2.gz JELCYKJTNLUKTF-SJLPKXTDSA-N 0 3 298.430 3.132 20 30 CGEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001266242983 808231508 /nfs/dbraw/zinc/23/15/08/808231508.db2.gz KEYQDFUKVPEFPB-DLBZAZTESA-N 0 3 292.467 3.197 20 30 CGEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001266491196 808276157 /nfs/dbraw/zinc/27/61/57/808276157.db2.gz GVXWIDKJSZYRPY-WCVJEAGWSA-N 0 3 296.430 3.010 20 30 CGEDHN C[C@H](CCCC#N)NCc1c(F)ccc(F)c1F ZINC001172478997 808343123 /nfs/dbraw/zinc/34/31/23/808343123.db2.gz GHVKCSFOCZUYSD-SECBINFHSA-N 0 3 256.271 3.276 20 30 CGEDHN CC1(C)CC(NC(=N)c2ccc(Cl)cn2)CC(C)(C)O1 ZINC001172649880 808407684 /nfs/dbraw/zinc/40/76/84/808407684.db2.gz XTXZOIBWHYGLGW-UHFFFAOYSA-N 0 3 295.814 3.177 20 30 CGEDHN CC#CCN(CCC)CCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001267320639 808413197 /nfs/dbraw/zinc/41/31/97/808413197.db2.gz QLAOULILYPMKBL-IRXDYDNUSA-N 0 3 292.467 3.054 20 30 CGEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)CCCC)C1 ZINC001267459534 808429759 /nfs/dbraw/zinc/42/97/59/808429759.db2.gz KTBQILPWPXZGMZ-IAGOWNOFSA-N 0 3 292.467 3.149 20 30 CGEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC ZINC001267533693 808441441 /nfs/dbraw/zinc/44/14/41/808441441.db2.gz KSECMUXJYYJGTI-GASCZTMLSA-N 0 3 278.440 3.064 20 30 CGEDHN C=C(C)C(C)(C)C(=O)NCC1CN(CC/C=C\CCC)C1 ZINC001267687911 808470732 /nfs/dbraw/zinc/47/07/32/808470732.db2.gz RQXBRYVWNPNPOL-HJWRWDBZSA-N 0 3 292.467 3.383 20 30 CGEDHN C=C1CC(C)(C(=O)NCC2CN(CC/C=C/CCC)C2)C1 ZINC001267693083 808472814 /nfs/dbraw/zinc/47/28/14/808472814.db2.gz SIBRZJVUHDJSJP-VOTSOKGWSA-N 0 3 290.451 3.137 20 30 CGEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC(C)(C)CC)CC2 ZINC001268044357 808532199 /nfs/dbraw/zinc/53/21/99/808532199.db2.gz DDEQOVKIZSIWRV-UHFFFAOYSA-N 0 3 292.467 3.313 20 30 CGEDHN N#CCC1CCC(N2CCOC[C@H]2Cc2ccccc2)CC1 ZINC001173336663 808617425 /nfs/dbraw/zinc/61/74/25/808617425.db2.gz ILVMBVNUBQJXRD-NKELODKYSA-N 0 3 298.430 3.402 20 30 CGEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001268742763 808619701 /nfs/dbraw/zinc/61/97/01/808619701.db2.gz KZQLYKPWFJQTAY-AWEZNQCLSA-N 0 3 292.398 3.119 20 30 CGEDHN Cc1nc2ccc(Nc3ccc(C#N)c(C#N)c3)cc2[nH]1 ZINC001213075267 815224157 /nfs/dbraw/zinc/22/41/57/815224157.db2.gz LWEAIBNQOMLMJS-UHFFFAOYSA-N 0 3 273.299 3.358 20 30 CGEDHN CC1(C#N)CCC(N2CC3(C2)CC(F)(F)CS3)CC1 ZINC001173597773 808651426 /nfs/dbraw/zinc/65/14/26/808651426.db2.gz INJQDCXQHAAFSY-UHFFFAOYSA-N 0 3 286.391 3.285 20 30 CGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001269303204 808667617 /nfs/dbraw/zinc/66/76/17/808667617.db2.gz ZMYNSDORACFHQT-IRXDYDNUSA-N 0 3 292.467 3.005 20 30 CGEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCCCC(C)C)C1 ZINC001269348890 808672766 /nfs/dbraw/zinc/67/27/66/808672766.db2.gz OPGYNTIJDKWLPZ-KRWDZBQOSA-N 0 3 292.467 3.149 20 30 CGEDHN Cc1cnc(Nc2ccccc2CN(C)C)c(C#N)c1 ZINC001173930355 808769664 /nfs/dbraw/zinc/76/96/64/808769664.db2.gz UOVXUQVVPHXQJD-UHFFFAOYSA-N 0 3 266.348 3.067 20 30 CGEDHN CNc1ccc(C#N)cc1Nc1ccccc1CN(C)C ZINC001173931394 808770529 /nfs/dbraw/zinc/77/05/29/808770529.db2.gz GEYGFNFTHULQKQ-UHFFFAOYSA-N 0 3 280.375 3.405 20 30 CGEDHN C#Cc1ccccc1Nc1ccccc1CN(C)C ZINC001173931750 808770547 /nfs/dbraw/zinc/77/05/47/808770547.db2.gz KONBMBGMEXFXIE-UHFFFAOYSA-N 0 3 250.345 3.473 20 30 CGEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)CC=C)cc1 ZINC001272700720 808821431 /nfs/dbraw/zinc/82/14/31/808821431.db2.gz MHMPRNDTASFUOY-OAHLLOKOSA-N 0 3 298.430 3.189 20 30 CGEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N(CC=C)C2 ZINC001272700396 808822189 /nfs/dbraw/zinc/82/21/89/808822189.db2.gz WPMQUYADBFLRDK-SFHVURJKSA-N 0 3 290.451 3.376 20 30 CGEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001273204990 808837665 /nfs/dbraw/zinc/83/76/65/808837665.db2.gz QKYZAPYYJWNDNW-PPWQZUPISA-N 0 3 298.858 3.050 20 30 CGEDHN C=CCC1(C(=O)N(CC)CCNC/C=C/Cl)CCCC1 ZINC001273784266 808860690 /nfs/dbraw/zinc/86/06/90/808860690.db2.gz ZPJSWJPXJLRLPF-YRNVUSSQSA-N 0 3 298.858 3.314 20 30 CGEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)CCCCC)C[C@H]1C ZINC001274663030 808881336 /nfs/dbraw/zinc/88/13/36/808881336.db2.gz QUJRNGKPMNWOBA-HZPDHXFCSA-N 0 3 292.467 3.195 20 30 CGEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(C)c1C ZINC001275167622 808919040 /nfs/dbraw/zinc/91/90/40/808919040.db2.gz QWXLVWDZMILAAH-MRXNPFEDSA-N 0 3 286.419 3.026 20 30 CGEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001276034790 808985105 /nfs/dbraw/zinc/98/51/05/808985105.db2.gz BZLHFUPBIXSGQY-HDICACEKSA-N 0 3 287.451 3.410 20 30 CGEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001276886462 809042032 /nfs/dbraw/zinc/04/20/32/809042032.db2.gz KJIGMBHICZXCMK-INIZCTEOSA-N 0 3 292.467 3.169 20 30 CGEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccccc1F ZINC001277106629 809058283 /nfs/dbraw/zinc/05/82/83/809058283.db2.gz KTCOWYFZMZCUKO-GFCCVEGCSA-N 0 3 298.789 3.066 20 30 CGEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001277339964 809069647 /nfs/dbraw/zinc/06/96/47/809069647.db2.gz NFCLJXQGFIVVSW-ZACQAIPSSA-N 0 3 292.467 3.454 20 30 CGEDHN C=CCOC(=O)c1ccc(Nc2ccncc2C)c(F)c1 ZINC001174539648 809072863 /nfs/dbraw/zinc/07/28/63/809072863.db2.gz OPMZDBSVQSJRCQ-UHFFFAOYSA-N 0 3 286.306 3.037 20 30 CGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001278437199 809133838 /nfs/dbraw/zinc/13/38/38/809133838.db2.gz AANXWKOMEOSFCN-RDJZCZTQSA-N 0 3 280.456 3.215 20 30 CGEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C(=C)C)[C@H]1C ZINC001278516351 809139310 /nfs/dbraw/zinc/13/93/10/809139310.db2.gz RGABNJRPWZMNQZ-HUUCEWRRSA-N 0 3 278.440 3.134 20 30 CGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@](C)(CC)CCC)CC1 ZINC001279164564 809166809 /nfs/dbraw/zinc/16/68/09/809166809.db2.gz RMDBOWKPIIEHSP-YJBOKZPZSA-N 0 3 292.467 3.053 20 30 CGEDHN C#CC[C@H]1CCN(Cc2cc(OC)ccc2Cl)C1 ZINC001176070789 809614272 /nfs/dbraw/zinc/61/42/72/809614272.db2.gz QAOLRGHYQGWLND-LBPRGKRZSA-N 0 3 263.768 3.194 20 30 CGEDHN C=CCn1cc(Nc2cccc3c2OCC[C@H]3N(C)C)cn1 ZINC001176549450 809715215 /nfs/dbraw/zinc/71/52/15/809715215.db2.gz RJNXJFLSUYQCBZ-MRXNPFEDSA-N 0 3 298.390 3.198 20 30 CGEDHN C=CC(C)(C)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC001179759210 809942491 /nfs/dbraw/zinc/94/24/91/809942491.db2.gz VTDASXVSIXGZNT-NSHDSACASA-N 0 3 261.365 3.073 20 30 CGEDHN CCCCCCC[C@@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC001181132454 810039775 /nfs/dbraw/zinc/03/97/75/810039775.db2.gz DDLRXQVRUXVLGH-CABCVRRESA-N 0 3 268.445 3.193 20 30 CGEDHN C[C@]1(CNCC2(C#N)CCC2)C[C@@H]1c1ccccc1 ZINC001182432890 810109542 /nfs/dbraw/zinc/10/95/42/810109542.db2.gz GEHRFMBFXLGOBA-HZPDHXFCSA-N 0 3 254.377 3.464 20 30 CGEDHN C#CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C(C)C ZINC001184116024 810177782 /nfs/dbraw/zinc/17/77/82/810177782.db2.gz SVTSHKPNSVTHBR-UHFFFAOYSA-N 0 3 296.455 3.366 20 30 CGEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCCCC(C)C)[C@@H]2C1 ZINC001189324586 810558233 /nfs/dbraw/zinc/55/82/33/810558233.db2.gz JNSVSJLFYHGGPA-DLBZAZTESA-N 0 3 292.467 3.312 20 30 CGEDHN C=C1CCC(C(=O)N2CC[C@H](N(C)CC=C(C)C)C2)CC1 ZINC001192180828 810774019 /nfs/dbraw/zinc/77/40/19/810774019.db2.gz NEQFKTJSVFXGHT-KRWDZBQOSA-N 0 3 290.451 3.232 20 30 CGEDHN CCCCCCC[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C1 ZINC001192930965 810830375 /nfs/dbraw/zinc/83/03/75/810830375.db2.gz FPMQEZAIZWAQHT-GJZGRUSLSA-N 0 3 283.460 3.081 20 30 CGEDHN CCCCCCCOC(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001194004646 810999121 /nfs/dbraw/zinc/99/91/21/810999121.db2.gz ZBFOEWQKBHDDRO-GJZGRUSLSA-N 0 3 282.428 3.119 20 30 CGEDHN C=CC[C@H](C)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001196134995 811321937 /nfs/dbraw/zinc/32/19/37/811321937.db2.gz UOYAPNULAVRBDT-KSSFIOAISA-N 0 3 285.387 3.451 20 30 CGEDHN C#CCN(Cc1cc(Cl)cc(C#N)c1)C(C)(C)C ZINC001197937976 811465914 /nfs/dbraw/zinc/46/59/14/811465914.db2.gz UMMFFUUYXKRHFF-UHFFFAOYSA-N 0 3 260.768 3.445 20 30 CGEDHN C#CCCN1CCCN(C(=O)[C@H](CCC)CC(C)C)CC1 ZINC001198309195 811491978 /nfs/dbraw/zinc/49/19/78/811491978.db2.gz BHWIIKCCDSXCMQ-QGZVFWFLSA-N 0 3 292.467 3.006 20 30 CGEDHN CN(C)Cc1ccccc1NC(=O)Nc1cccc(C#N)c1 ZINC001202788194 812174142 /nfs/dbraw/zinc/17/41/42/812174142.db2.gz SJMXFWIJMZZPDU-UHFFFAOYSA-N 0 3 294.358 3.264 20 30 CGEDHN C#Cc1cccc(CNCc2c[nH]nc2-c2ccc(C)o2)c1 ZINC001202811515 812178759 /nfs/dbraw/zinc/17/87/59/812178759.db2.gz GSTDHPFVFASYCU-UHFFFAOYSA-N 0 3 291.354 3.249 20 30 CGEDHN N#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001203899890 812486571 /nfs/dbraw/zinc/48/65/71/812486571.db2.gz GENYTVFFGOUBCK-OKILXGFUSA-N 0 3 262.303 3.035 20 30 CGEDHN C=CCCCCCCCN1CC[C@](N)(C(F)(F)F)C1 ZINC001206222527 813247432 /nfs/dbraw/zinc/24/74/32/813247432.db2.gz PCAKRPBZYUEPNK-CYBMUJFWSA-N 0 3 278.362 3.479 20 30 CGEDHN C#CCN(CC#C)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411870 813558812 /nfs/dbraw/zinc/55/88/12/813558812.db2.gz UOGVXBLVOXRDFK-GOSISDBHSA-N 0 3 287.447 3.223 20 30 CGEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001207784283 813649647 /nfs/dbraw/zinc/64/96/47/813649647.db2.gz HXNMLIGTWLSMTG-IJEWVQPXSA-N 0 3 280.456 3.071 20 30 CGEDHN Cc1ccc(CCCN2CCc3cc(C#N)ccc3C2)o1 ZINC001207943045 813676791 /nfs/dbraw/zinc/67/67/91/813676791.db2.gz BEELTLCMHHJXMF-UHFFFAOYSA-N 0 3 280.371 3.451 20 30 CGEDHN C=CCCCN1CCc2ncc(Br)cc2C1 ZINC001209160389 813952400 /nfs/dbraw/zinc/95/24/00/813952400.db2.gz WHIYIGUABNIGDX-UHFFFAOYSA-N 0 3 281.197 3.168 20 30 CGEDHN C=CCCCCN1CCN(Cc2ccccc2)CC1 ZINC001209200952 813965389 /nfs/dbraw/zinc/96/53/89/813965389.db2.gz QQVIFYZDYPYMMB-UHFFFAOYSA-N 0 3 258.409 3.161 20 30 CGEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001209406223 814015314 /nfs/dbraw/zinc/01/53/14/814015314.db2.gz HEBBGHNZZOUMPV-HZPDHXFCSA-N 0 3 290.451 3.136 20 30 CGEDHN C=CCCCCCN1CCCn2cnc(COCC)c2C1 ZINC001209424095 814025582 /nfs/dbraw/zinc/02/55/82/814025582.db2.gz KDHIFJITNQXFCR-UHFFFAOYSA-N 0 3 291.439 3.372 20 30 CGEDHN C=CCCCCCCN1CCN(c2cc(C)ncn2)CC1 ZINC001209441659 814041044 /nfs/dbraw/zinc/04/10/44/814041044.db2.gz YFSOXVVFXYFHPJ-UHFFFAOYSA-N 0 3 288.439 3.044 20 30 CGEDHN C=C1CCC(C(=O)N2CCC[C@@H](NC[C@@H](F)CC)C2)CC1 ZINC001209465508 814051257 /nfs/dbraw/zinc/05/12/57/814051257.db2.gz RDTMFXKBHBDINW-JKSUJKDBSA-N 0 3 296.430 3.062 20 30 CGEDHN C=CCC1(C(=O)N2CCC[C@H](NC[C@@H](F)CC)C2)CCC1 ZINC001209503229 814067122 /nfs/dbraw/zinc/06/71/22/814067122.db2.gz HKXWEBBMZREZEH-GJZGRUSLSA-N 0 3 296.430 3.062 20 30 CGEDHN C#CC1CCN(Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209602245 814096471 /nfs/dbraw/zinc/09/64/71/814096471.db2.gz JYHCOHZAMUUKTN-UHFFFAOYSA-N 0 3 273.767 3.062 20 30 CGEDHN N#Cc1cc(Nc2ccnc(C3CC3)c2)ccc1O ZINC001210530651 814512150 /nfs/dbraw/zinc/51/21/50/814512150.db2.gz LOUACBMUGVOVSR-UHFFFAOYSA-N 0 3 251.289 3.280 20 30 CGEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(C#N)c2)no1 ZINC001211436342 814892103 /nfs/dbraw/zinc/89/21/03/814892103.db2.gz JEAZTAVZJIMMPN-UHFFFAOYSA-N 0 3 294.358 3.107 20 30 CGEDHN CC(C)c1ccc(C#N)c(O[C@@H]2CNCc3ccccc32)n1 ZINC001218485400 816241396 /nfs/dbraw/zinc/24/13/96/816241396.db2.gz IYQCPOLIAHZOOE-QGZVFWFLSA-N 0 3 293.370 3.300 20 30 CGEDHN Cc1cc(C#N)ccc1O[C@@H]1CNCc2ccccc21 ZINC001218488160 816244124 /nfs/dbraw/zinc/24/41/24/816244124.db2.gz JPOAISHFALUIKE-QGZVFWFLSA-N 0 3 264.328 3.090 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC001218516644 816247874 /nfs/dbraw/zinc/24/78/74/816247874.db2.gz BPUOYQUFHCTEQU-NSHDSACASA-N 0 3 293.436 3.034 20 30 CGEDHN C=CCCCCC[C@H](N)C(=O)NCC(CC)CC ZINC001219600433 816273359 /nfs/dbraw/zinc/27/33/59/816273359.db2.gz SZKFEGJHODUIKP-AWEZNQCLSA-N 0 3 254.418 3.003 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C(CCC)CCC)[C@@H]2C1 ZINC001221773982 816327055 /nfs/dbraw/zinc/32/70/55/816327055.db2.gz MYCJHHYMMGYJAT-IAGOWNOFSA-N 0 3 292.467 3.312 20 30 CGEDHN C=CC1(CC(=O)N2C[C@H]3CCN(CC)C[C@H]32)CCCCC1 ZINC001221867458 816330280 /nfs/dbraw/zinc/33/02/80/816330280.db2.gz PZJQXLZASCBIBL-HZPDHXFCSA-N 0 3 290.451 3.066 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](CCC)C(C)C)[C@@H]2C1 ZINC001221843311 816330322 /nfs/dbraw/zinc/33/03/22/816330322.db2.gz XOBPTRKALXIKGT-BRWVUGGUSA-N 0 3 292.467 3.168 20 30 CGEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](CCC)C(C)C)[C@@H]2C1 ZINC001221843312 816330776 /nfs/dbraw/zinc/33/07/76/816330776.db2.gz XOBPTRKALXIKGT-IXDOHACOSA-N 0 3 292.467 3.168 20 30 CGEDHN CCN1CCC[C@@H](Oc2cc(Cl)ccc2C#N)C1 ZINC001228084108 817804956 /nfs/dbraw/zinc/80/49/56/817804956.db2.gz IHQZFEOXPWQZND-CYBMUJFWSA-N 0 3 264.756 3.075 20 30 CGEDHN COc1cc(C#N)ccc1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001231617194 818138067 /nfs/dbraw/zinc/13/80/67/818138067.db2.gz PCGGJNJQLHVZLT-HUUCEWRRSA-N 0 3 270.376 3.189 20 30 CGEDHN C#Cc1cccc(CN2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001231661700 818152184 /nfs/dbraw/zinc/15/21/84/818152184.db2.gz XYCGEDMHRBOZBP-IBGZPJMESA-N 0 3 289.378 3.373 20 30 CGEDHN CC1(C#N)CCN(Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232823550 818448314 /nfs/dbraw/zinc/44/83/14/818448314.db2.gz DZCGOFJUEHRYCV-UHFFFAOYSA-N 0 3 288.782 3.342 20 30 CGEDHN N#Cc1ccc(CN2CCC3(CCCOC3)CC2)s1 ZINC001232846935 818454543 /nfs/dbraw/zinc/45/45/43/818454543.db2.gz OYLGSAIKMGQBFG-UHFFFAOYSA-N 0 3 276.405 3.012 20 30 CGEDHN CCCCCN1CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232966477 818485626 /nfs/dbraw/zinc/48/56/26/818485626.db2.gz NANRNCIWZIGWCW-UHFFFAOYSA-N 0 3 285.435 3.175 20 30 CGEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654147 818670866 /nfs/dbraw/zinc/67/08/66/818670866.db2.gz OUUMMSMZEIATCK-UONOGXRCSA-N 0 3 282.403 3.137 20 30 CGEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654148 818671450 /nfs/dbraw/zinc/67/14/50/818671450.db2.gz OUUMMSMZEIATCK-ZIAGYGMSSA-N 0 3 282.403 3.137 20 30 CGEDHN C#C[C@@H](CCCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234242815 818813822 /nfs/dbraw/zinc/81/38/22/818813822.db2.gz CVEACDGOYGBSCK-AWEZNQCLSA-N 0 3 293.382 3.467 20 30 CGEDHN C#CC[C@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234244634 818815143 /nfs/dbraw/zinc/81/51/43/818815143.db2.gz RHXQRVIAWPNYHO-ZDUSSCGKSA-N 0 3 279.355 3.077 20 30 CGEDHN C#C[C@H]1CCCN(Cc2cnc(OC(C)C)cc2C)C1 ZINC001235428114 819094096 /nfs/dbraw/zinc/09/40/96/819094096.db2.gz JMZNMLIYGVSXFE-HNNXBMFYSA-N 0 3 272.392 3.022 20 30 CGEDHN N#Cc1ccnc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236003267 819269835 /nfs/dbraw/zinc/26/98/35/819269835.db2.gz VCILIZSSNUFDMT-UHFFFAOYSA-N 0 3 296.349 3.140 20 30 CGEDHN C[C@H](c1ccccc1)N(CCO)Cc1ccc(C#N)cc1 ZINC001236145574 819346540 /nfs/dbraw/zinc/34/65/40/819346540.db2.gz YDPCRWWTHHZVCI-OAHLLOKOSA-N 0 3 280.371 3.114 20 30 CGEDHN CCc1cc(C#N)ccc1CN1CCc2c(N)cccc2C1 ZINC001236368017 819437719 /nfs/dbraw/zinc/43/77/19/819437719.db2.gz SVSWYIJACYYBHH-UHFFFAOYSA-N 0 3 291.398 3.261 20 30 CGEDHN N#Cc1cc(CN2CCCC3(CCCC3)C2)ccn1 ZINC001237461443 819757430 /nfs/dbraw/zinc/75/74/30/819757430.db2.gz CBKAUIATJGAVII-UHFFFAOYSA-N 0 3 255.365 3.109 20 30 CGEDHN C=CCCCCN(C)Cc1ccnc(OC(F)F)c1 ZINC001237623003 819789190 /nfs/dbraw/zinc/78/91/90/819789190.db2.gz WHINZSSYEZTYOP-UHFFFAOYSA-N 0 3 270.323 3.471 20 30 CGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCC[C@]1(C)O ZINC001238081922 819926846 /nfs/dbraw/zinc/92/68/46/819926846.db2.gz COJJMPSNDFXMTD-WBMJQRKESA-N 0 3 292.810 3.195 20 30 CGEDHN C#CC1CCN(Cc2cnc(OCCCC)c(C)c2)CC1 ZINC001238492556 820024629 /nfs/dbraw/zinc/02/46/29/820024629.db2.gz MAMRCZIHQSFJFH-UHFFFAOYSA-N 0 3 286.419 3.414 20 30 CGEDHN CCCCCCCCCOC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001239334127 820279105 /nfs/dbraw/zinc/27/91/05/820279105.db2.gz BPAHINRDOUJDRN-ZIAGYGMSSA-N 0 3 288.407 3.245 20 30 CGEDHN C[NH+](C)Cc1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001239683971 820520357 /nfs/dbraw/zinc/52/03/57/820520357.db2.gz MSLWLOBLMKAVCD-VCHYOVAHSA-N 0 3 272.323 3.362 20 30 CGEDHN N#CCc1cccnc1C1=CCN(Cc2ccccc2)CC1 ZINC001241501473 821904137 /nfs/dbraw/zinc/90/41/37/821904137.db2.gz HVQOPRVKBOFSLO-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN N#CCc1ncccc1C1=CCN(Cc2ccccc2)CC1 ZINC001241506373 821907472 /nfs/dbraw/zinc/90/74/72/821907472.db2.gz DFGGUQYGWXSAJH-UHFFFAOYSA-N 0 3 289.382 3.437 20 30 CGEDHN C#Cc1ccc(-c2ccc(OC)c(CN(C)C)c2)cc1 ZINC001242295064 822941787 /nfs/dbraw/zinc/94/17/87/822941787.db2.gz RWYPXBWKGGOFCQ-UHFFFAOYSA-N 0 3 265.356 3.405 20 30 CGEDHN